NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10705 | 1q60 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 -1.677 -21.444 14.886 2 1HA GLY 1 1HA GLY 1 -0.176 -19.066 14.134 3 2HA GLY 1 2HA GLY 1 -1.194 -20.060 13.111 4 H SER 2 H SER 2 -0.960 -17.080 14.692 5 HA SER 2 HA SER 2 -3.723 -16.571 14.116 6 1HB SER 2 1HB SER 2 -3.129 -17.251 16.716 7 2HB SER 2 2HB SER 2 -2.909 -15.514 16.781 8 HG SER 2 HG SER 2 -5.033 -15.169 16.422 9 H SER 3 H SER 3 -3.282 -14.964 12.613 10 HA SER 3 HA SER 3 -2.205 -12.547 13.631 11 1HB SER 3 1HB SER 3 -0.106 -13.735 13.049 12 2HB SER 3 2HB SER 3 -0.697 -14.018 11.423 13 HG SER 3 HG SER 3 -0.855 -11.606 11.235 14 H GLY 4 H GLY 4 -2.555 -14.233 10.415 15 1HA GLY 4 1HA GLY 4 -4.655 -13.789 9.211 16 2HA GLY 4 2HA GLY 4 -4.458 -12.101 9.640 17 H SER 5 H SER 5 -4.314 -11.316 7.493 18 HA SER 5 HA SER 5 -2.783 -12.464 5.527 19 1HB SER 5 1HB SER 5 -3.290 -10.568 4.264 20 2HB SER 5 2HB SER 5 -4.551 -10.512 5.479 21 HG SER 5 HG SER 5 -2.605 -8.671 4.955 22 H SER 6 H SER 6 -0.936 -10.779 4.450 23 HA SER 6 HA SER 6 0.781 -9.670 6.386 24 1HB SER 6 1HB SER 6 1.063 -12.459 6.007 25 2HB SER 6 2HB SER 6 2.365 -11.753 5.070 26 HG SER 6 HG SER 6 3.199 -10.748 6.906 27 H GLY 7 H GLY 7 1.054 -11.430 3.202 28 1HA GLY 7 1HA GLY 7 2.752 -9.495 2.034 29 2HA GLY 7 2HA GLY 7 1.875 -10.771 1.213 30 H LEU 8 H LEU 8 -0.771 -10.262 1.508 31 HA LEU 8 HA LEU 8 -1.387 -8.407 -0.331 32 1HB LEU 8 1HB LEU 8 -2.952 -9.346 2.066 33 2HB LEU 8 2HB LEU 8 -3.643 -8.303 0.840 34 HG LEU 8 HG LEU 8 -2.495 -11.063 0.335 35 1HD1 LEU 8 1HD1 LEU 8 -5.067 -11.403 -0.213 36 2HD1 LEU 8 2HD1 LEU 8 -4.420 -11.608 1.432 37 3HD1 LEU 8 3HD1 LEU 8 -5.244 -10.096 0.982 38 1HD2 LEU 8 1HD2 LEU 8 -2.235 -9.751 -1.640 39 2HD2 LEU 8 2HD2 LEU 8 -3.643 -10.814 -1.881 40 3HD2 LEU 8 3HD2 LEU 8 -3.883 -9.092 -1.496 41 H LYS 9 H LYS 9 -1.420 -7.814 3.256 42 HA LYS 9 HA LYS 9 -2.089 -5.196 3.253 43 1HB LYS 9 1HB LYS 9 -1.409 -6.925 5.151 44 2HB LYS 9 2HB LYS 9 0.126 -6.086 5.061 45 1HG LYS 9 1HG LYS 9 -1.965 -4.096 5.019 46 2HG LYS 9 2HG LYS 9 -2.318 -5.212 6.323 47 1HD LYS 9 1HD LYS 9 -0.825 -3.990 7.540 48 2HD LYS 9 2HD LYS 9 0.409 -4.856 6.648 49 1HE LYS 9 1HE LYS 9 0.392 -3.043 4.900 50 2HE LYS 9 2HE LYS 9 -0.806 -2.171 5.836 51 1HZ LYS 9 1HZ LYS 9 1.839 -1.931 6.126 52 2HZ LYS 9 2HZ LYS 9 0.740 -1.488 7.250 53 3HZ LYS 9 3HZ LYS 9 1.477 -2.942 7.357 54 H GLN 10 H GLN 10 1.266 -6.532 2.874 55 HA GLN 10 HA GLN 10 2.432 -4.042 2.529 56 1HB GLN 10 1HB GLN 10 3.348 -6.608 2.817 57 2HB GLN 10 2HB GLN 10 3.666 -6.361 1.111 58 1HG GLN 10 1HG GLN 10 4.469 -3.970 2.526 59 2HG GLN 10 2HG GLN 10 5.150 -5.350 3.363 60 1HE2 GLN 10 1HE2 GLN 10 6.328 -3.218 1.661 61 2HE2 GLN 10 2HE2 GLN 10 7.245 -4.023 0.431 62 H LYS 11 H LYS 11 1.202 -6.480 0.152 63 HA LYS 11 HA LYS 11 2.004 -5.229 -2.158 64 1HB LYS 11 1HB LYS 11 -0.358 -6.990 -1.498 65 2HB LYS 11 2HB LYS 11 -0.082 -6.397 -3.123 66 1HG LYS 11 1HG LYS 11 1.791 -7.715 -3.443 67 2HG LYS 11 2HG LYS 11 2.317 -7.568 -1.778 68 1HD LYS 11 1HD LYS 11 1.370 -9.558 -1.247 69 2HD LYS 11 2HD LYS 11 -0.194 -9.012 -1.819 70 1HE LYS 11 1HE LYS 11 1.888 -9.834 -3.855 71 2HE LYS 11 2HE LYS 11 1.035 -11.085 -2.972 72 1HZ LYS 11 1HZ LYS 11 0.014 -9.207 -4.906 73 2HZ LYS 11 2HZ LYS 11 -0.408 -10.762 -4.640 74 3HZ LYS 11 3HZ LYS 11 -0.986 -9.581 -3.671 75 H VAL 12 H VAL 12 -1.227 -4.904 -0.516 76 HA VAL 12 HA VAL 12 -2.171 -2.894 -2.154 77 HB VAL 12 HB VAL 12 -2.729 -3.361 0.782 78 1HG1 VAL 12 1HG1 VAL 12 -3.548 -1.206 -0.490 79 2HG1 VAL 12 2HG1 VAL 12 -4.744 -2.324 -1.188 80 3HG1 VAL 12 3HG1 VAL 12 -4.656 -2.104 0.576 81 1HG2 VAL 12 1HG2 VAL 12 -4.762 -4.608 -0.370 82 2HG2 VAL 12 2HG2 VAL 12 -3.597 -4.791 -1.704 83 3HG2 VAL 12 3HG2 VAL 12 -3.210 -5.434 -0.090 84 H GLU 13 H GLU 13 0.145 -2.819 0.538 85 HA GLU 13 HA GLU 13 -0.016 -0.156 1.165 86 1HB GLU 13 1HB GLU 13 1.619 -2.348 1.841 87 2HB GLU 13 2HB GLU 13 2.741 -1.163 1.204 88 1HG GLU 13 1HG GLU 13 0.620 -0.347 3.221 89 2HG GLU 13 2HG GLU 13 2.119 -1.080 3.757 90 H ASN 14 H ASN 14 2.472 -1.707 -1.002 91 HA ASN 14 HA ASN 14 3.552 0.589 -1.936 92 1HB ASN 14 1HB ASN 14 3.375 -2.233 -2.828 93 2HB ASN 14 2HB ASN 14 3.580 -1.125 -4.171 94 1HD2 ASN 14 1HD2 ASN 14 4.894 -2.235 -1.113 95 2HD2 ASN 14 2HD2 ASN 14 6.528 -1.710 -1.346 96 H LEU 15 H LEU 15 0.642 -1.239 -3.046 97 HA LEU 15 HA LEU 15 0.103 -0.052 -5.421 98 1HB LEU 15 1HB LEU 15 -1.363 -1.697 -4.974 99 2HB LEU 15 2HB LEU 15 -1.467 -1.311 -3.268 100 HG LEU 15 HG LEU 15 -2.941 0.622 -3.823 101 1HD1 LEU 15 1HD1 LEU 15 -2.267 1.125 -6.065 102 2HD1 LEU 15 2HD1 LEU 15 -2.744 -0.493 -6.631 103 3HD1 LEU 15 3HD1 LEU 15 -3.985 0.663 -6.092 104 1HD2 LEU 15 1HD2 LEU 15 -4.601 -1.364 -5.029 105 2HD2 LEU 15 2HD2 LEU 15 -3.551 -2.155 -3.829 106 3HD2 LEU 15 3HD2 LEU 15 -4.582 -0.787 -3.345 107 H PHE 16 H PHE 16 -1.299 1.099 -2.267 108 HA PHE 16 HA PHE 16 -2.297 3.458 -3.240 109 1HB PHE 16 1HB PHE 16 -1.011 2.750 -0.534 110 2HB PHE 16 2HB PHE 16 -2.055 4.137 -0.775 111 HD1 PHE 16 1HD PHE 16 -4.084 2.786 -2.599 112 HD2 PHE 16 2HD PHE 16 -2.297 1.567 1.052 113 HE1 PHE 16 1HE PHE 16 -6.090 1.365 -2.092 114 HE2 PHE 16 2HE PHE 16 -4.303 0.146 1.559 115 HZ PHE 16 HZ PHE 16 -6.176 0.062 -0.019 116 H ASN 17 H ASN 17 0.852 3.009 -1.464 117 HA ASN 17 HA ASN 17 1.783 5.483 -1.539 118 1HB ASN 17 1HB ASN 17 3.126 2.796 -1.913 119 2HB ASN 17 2HB ASN 17 4.110 4.232 -2.118 120 1HD2 ASN 17 1HD2 ASN 17 5.002 5.090 -0.401 121 2HD2 ASN 17 2HD2 ASN 17 4.547 4.840 1.251 122 H GLU 18 H GLU 18 2.187 3.003 -4.183 123 HA GLU 18 HA GLU 18 3.541 4.597 -5.941 124 1HB GLU 18 1HB GLU 18 2.059 2.063 -6.017 125 2HB GLU 18 2HB GLU 18 1.928 2.927 -7.536 126 1HG GLU 18 1HG GLU 18 4.672 3.057 -6.528 127 2HG GLU 18 2HG GLU 18 4.137 1.391 -6.620 128 H LYS 19 H LYS 19 -0.023 3.836 -6.013 129 HA LYS 19 HA LYS 19 -0.807 5.458 -8.000 130 1HB LYS 19 1HB LYS 19 -2.200 4.942 -5.358 131 2HB LYS 19 2HB LYS 19 -2.974 5.667 -6.753 132 1HG LYS 19 1HG LYS 19 -1.627 2.923 -6.741 133 2HG LYS 19 2HG LYS 19 -3.354 3.187 -6.603 134 1HD LYS 19 1HD LYS 19 -2.569 4.687 -8.882 135 2HD LYS 19 2HD LYS 19 -1.672 3.186 -9.001 136 1HE LYS 19 1HE LYS 19 -3.927 1.987 -8.501 137 2HE LYS 19 2HE LYS 19 -4.692 3.535 -8.799 138 1HZ LYS 19 1HZ LYS 19 -4.046 3.503 -10.980 139 2HZ LYS 19 2HZ LYS 19 -2.806 2.467 -10.747 140 3HZ LYS 19 3HZ LYS 19 -4.343 1.918 -10.725 141 H CYS 20 H CYS 20 -0.167 6.454 -4.582 142 HA CYS 20 HA CYS 20 -0.959 9.038 -4.715 143 1HB CYS 20 1HB CYS 20 0.865 7.477 -3.064 144 2HB CYS 20 2HB CYS 20 1.420 9.130 -3.233 145 HG CYS 20 HG CYS 20 -0.299 10.288 -2.020 146 H GLY 21 H GLY 21 2.488 7.943 -5.183 147 1HA GLY 21 1HA GLY 21 3.565 10.232 -6.180 148 2HA GLY 21 2HA GLY 21 4.068 8.618 -6.644 149 H GLU 22 H GLU 22 1.827 7.645 -8.048 150 HA GLU 22 HA GLU 22 2.244 8.830 -10.517 151 1HB GLU 22 1HB GLU 22 0.655 6.626 -9.395 152 2HB GLU 22 2HB GLU 22 -0.178 7.417 -10.718 153 1HG GLU 22 1HG GLU 22 2.627 7.099 -11.416 154 2HG GLU 22 2HG GLU 22 1.992 5.557 -10.878 155 H ALA 23 H ALA 23 -0.134 9.407 -7.940 156 HA ALA 23 HA ALA 23 -2.067 10.738 -9.447 157 1HB ALA 23 1HB ALA 23 -1.613 11.742 -6.710 158 2HB ALA 23 2HB ALA 23 -3.048 10.964 -7.419 159 3HB ALA 23 3HB ALA 23 -1.702 9.967 -6.816 160 H LEU 24 H LEU 24 0.951 11.868 -7.820 161 HA LEU 24 HA LEU 24 0.470 14.586 -8.561 162 1HB LEU 24 1HB LEU 24 2.821 13.123 -7.369 163 2HB LEU 24 2HB LEU 24 2.860 14.832 -7.751 164 HG LEU 24 HG LEU 24 2.408 14.471 -5.389 165 1HD1 LEU 24 1HD1 LEU 24 1.387 16.401 -6.664 166 2HD1 LEU 24 2HD1 LEU 24 -0.137 15.482 -6.671 167 3HD1 LEU 24 3HD1 LEU 24 0.598 15.975 -5.126 168 1HD2 LEU 24 1HD2 LEU 24 1.250 12.226 -5.807 169 2HD2 LEU 24 2HD2 LEU 24 0.599 13.264 -4.516 170 3HD2 LEU 24 3HD2 LEU 24 -0.226 13.179 -6.090 171 H GLY 25 H GLY 25 1.584 11.753 -10.173 172 1HA GLY 25 1HA GLY 25 1.918 11.744 -12.489 173 2HA GLY 25 2HA GLY 25 2.458 13.410 -12.433 174 H LEU 26 H LEU 26 3.569 11.003 -10.046 175 HA LEU 26 HA LEU 26 6.261 11.338 -11.122 176 1HB LEU 26 1HB LEU 26 5.340 10.235 -8.465 177 2HB LEU 26 2HB LEU 26 7.000 10.518 -8.950 178 HG LEU 26 HG LEU 26 4.899 12.686 -8.670 179 1HD1 LEU 26 1HD1 LEU 26 6.397 11.288 -6.658 180 2HD1 LEU 26 2HD1 LEU 26 6.933 12.984 -6.731 181 3HD1 LEU 26 3HD1 LEU 26 5.212 12.604 -6.478 182 1HD2 LEU 26 1HD2 LEU 26 6.784 14.240 -8.809 183 2HD2 LEU 26 2HD2 LEU 26 7.898 12.876 -9.069 184 3HD2 LEU 26 3HD2 LEU 26 6.648 13.248 -10.281 185 H LYS 27 H LYS 27 7.696 9.268 -10.830 186 HA LYS 27 HA LYS 27 6.131 7.029 -11.908 187 1HB LYS 27 1HB LYS 27 8.918 8.014 -12.538 188 2HB LYS 27 2HB LYS 27 8.394 6.391 -12.941 189 1HG LYS 27 1HG LYS 27 6.940 7.112 -14.592 190 2HG LYS 27 2HG LYS 27 6.506 8.573 -13.728 191 1HD LYS 27 1HD LYS 27 7.793 9.564 -15.364 192 2HD LYS 27 2HD LYS 27 9.093 9.186 -14.252 193 1HE LYS 27 1HE LYS 27 9.405 6.971 -15.470 194 2HE LYS 27 2HE LYS 27 8.212 7.497 -16.641 195 1HZ LYS 27 1HZ LYS 27 9.771 9.566 -16.715 196 2HZ LYS 27 2HZ LYS 27 10.893 8.496 -16.200 197 3HZ LYS 27 3HZ LYS 27 10.098 8.235 -17.603 198 H GLN 28 H GLN 28 7.039 8.011 -9.040 199 HA GLN 28 HA GLN 28 8.070 5.383 -8.319 200 1HB GLN 28 1HB GLN 28 9.380 6.482 -6.490 201 2HB GLN 28 2HB GLN 28 9.917 6.954 -8.090 202 1HG GLN 28 1HG GLN 28 8.429 9.019 -7.899 203 2HG GLN 28 2HG GLN 28 8.106 8.568 -6.236 204 1HE2 GLN 28 1HE2 GLN 28 10.231 10.073 -8.413 205 2HE2 GLN 28 2HE2 GLN 28 11.529 10.461 -7.333 206 H ALA 29 H ALA 29 7.876 5.395 -5.604 207 HA ALA 29 HA ALA 29 5.006 5.769 -5.225 208 1HB ALA 29 1HB ALA 29 6.338 4.456 -3.032 209 2HB ALA 29 2HB ALA 29 5.160 3.786 -4.185 210 3HB ALA 29 3HB ALA 29 6.898 3.743 -4.564 211 H VAL 30 H VAL 30 4.163 6.887 -3.375 212 HA VAL 30 HA VAL 30 6.117 8.437 -1.859 213 HB VAL 30 HB VAL 30 3.707 9.663 -3.207 214 1HG1 VAL 30 1HG1 VAL 30 5.828 10.656 -1.343 215 2HG1 VAL 30 2HG1 VAL 30 5.224 11.760 -2.602 216 3HG1 VAL 30 3HG1 VAL 30 4.094 11.053 -1.422 217 1HG2 VAL 30 1HG2 VAL 30 6.612 10.033 -3.995 218 2HG2 VAL 30 2HG2 VAL 30 5.496 8.919 -4.821 219 3HG2 VAL 30 3HG2 VAL 30 5.166 10.669 -4.817 220 H LYS 31 H LYS 31 5.698 8.192 0.272 221 HA LYS 31 HA LYS 31 3.786 6.654 1.336 222 1HB LYS 31 1HB LYS 31 5.790 8.238 2.310 223 2HB LYS 31 2HB LYS 31 4.381 9.060 2.949 224 1HG LYS 31 1HG LYS 31 4.573 6.043 3.172 225 2HG LYS 31 2HG LYS 31 5.468 7.048 4.294 226 1HD LYS 31 1HD LYS 31 3.441 8.119 5.096 227 2HD LYS 31 2HD LYS 31 2.485 7.432 3.798 228 1HE LYS 31 1HE LYS 31 2.339 5.350 4.809 229 2HE LYS 31 2HE LYS 31 3.944 5.453 5.507 230 1HZ LYS 31 1HZ LYS 31 3.150 6.829 7.203 231 2HZ LYS 31 2HZ LYS 31 1.721 7.107 6.463 232 3HZ LYS 31 3HZ LYS 31 2.046 5.632 7.084 233 H VAL 32 H VAL 32 1.607 6.628 1.416 234 HA VAL 32 HA VAL 32 0.113 8.724 0.295 235 HB VAL 32 HB VAL 32 -0.600 6.292 1.935 236 1HG1 VAL 32 1HG1 VAL 32 -2.410 7.773 2.333 237 2HG1 VAL 32 2HG1 VAL 32 -2.410 8.352 0.650 238 3HG1 VAL 32 3HG1 VAL 32 -2.945 6.696 1.021 239 1HG2 VAL 32 1HG2 VAL 32 -1.631 6.089 -0.659 240 2HG2 VAL 32 2HG2 VAL 32 -0.010 6.793 -0.869 241 3HG2 VAL 32 3HG2 VAL 32 -0.205 5.250 -0.003 242 HA PRO 33 HA PRO 33 0.103 11.188 3.926 243 1HB PRO 33 1HB PRO 33 -0.871 13.463 2.765 244 2HB PRO 33 2HB PRO 33 0.834 13.061 2.802 245 1HG PRO 33 1HG PRO 33 -1.059 12.903 0.537 246 2HG PRO 33 2HG PRO 33 0.693 12.921 0.504 247 1HD PRO 33 1HD PRO 33 -1.007 10.638 0.147 248 2HD PRO 33 2HD PRO 33 0.744 10.639 0.231 249 H PHE 34 H PHE 34 -1.692 9.288 4.082 250 HA PHE 34 HA PHE 34 -4.281 9.711 3.709 251 1HB PHE 34 1HB PHE 34 -2.679 8.733 6.127 252 2HB PHE 34 2HB PHE 34 -4.429 8.662 6.163 253 HD1 PHE 34 1HD PHE 34 -1.413 7.131 4.918 254 HD2 PHE 34 2HD PHE 34 -5.632 7.248 4.479 255 HE1 PHE 34 1HE PHE 34 -1.348 4.931 3.712 256 HE2 PHE 34 2HE PHE 34 -5.567 5.047 3.273 257 HZ PHE 34 HZ PHE 34 -3.426 3.915 2.904 258 H ALA 35 H ALA 35 -2.263 11.351 6.193 259 HA ALA 35 HA ALA 35 -4.253 12.494 7.704 260 1HB ALA 35 1HB ALA 35 -1.608 13.762 6.888 261 2HB ALA 35 2HB ALA 35 -2.548 14.092 8.363 262 3HB ALA 35 3HB ALA 35 -1.777 12.504 8.137 263 H LEU 36 H LEU 36 -2.707 13.708 4.657 264 HA LEU 36 HA LEU 36 -4.053 16.106 4.509 265 1HB LEU 36 1HB LEU 36 -2.840 14.248 2.496 266 2HB LEU 36 2HB LEU 36 -3.733 15.655 1.953 267 HG LEU 36 HG LEU 36 -1.263 15.640 3.707 268 1HD1 LEU 36 1HD1 LEU 36 -1.026 15.198 1.220 269 2HD1 LEU 36 2HD1 LEU 36 -1.600 16.863 0.965 270 3HD1 LEU 36 3HD1 LEU 36 -0.099 16.569 1.874 271 1HD2 LEU 36 1HD2 LEU 36 -1.672 18.256 2.977 272 2HD2 LEU 36 2HD2 LEU 36 -3.324 17.691 3.325 273 3HD2 LEU 36 3HD2 LEU 36 -2.055 17.546 4.564 274 H PHE 37 H PHE 37 -5.105 12.788 3.669 275 HA PHE 37 HA PHE 37 -7.534 13.737 2.479 276 1HB PHE 37 1HB PHE 37 -6.538 10.991 3.451 277 2HB PHE 37 2HB PHE 37 -7.969 11.217 2.466 278 HD1 PHE 37 1HD PHE 37 -4.295 11.402 2.489 279 HD2 PHE 37 2HD PHE 37 -7.801 11.601 0.106 280 HE1 PHE 37 1HE PHE 37 -2.895 11.227 0.413 281 HE2 PHE 37 2HE PHE 37 -6.400 11.427 -1.969 282 HZ PHE 37 HZ PHE 37 -3.964 11.242 -1.791 283 H GLU 38 H GLU 38 -6.373 12.920 5.688 284 HA GLU 38 HA GLU 38 -9.005 12.370 6.665 285 1HB GLU 38 1HB GLU 38 -6.298 12.650 8.034 286 2HB GLU 38 2HB GLU 38 -7.777 12.309 8.910 287 1HG GLU 38 1HG GLU 38 -7.101 10.581 6.526 288 2HG GLU 38 2HG GLU 38 -6.203 10.332 8.010 289 H SER 39 H SER 39 -6.637 15.057 6.605 290 HA SER 39 HA SER 39 -8.283 16.628 8.343 291 1HB SER 39 1HB SER 39 -5.596 16.904 7.042 292 2HB SER 39 2HB SER 39 -6.439 18.396 7.410 293 HG SER 39 HG SER 39 -6.202 16.332 9.402 294 H PHE 40 H PHE 40 -7.407 16.392 4.860 295 HA PHE 40 HA PHE 40 -9.560 18.314 4.318 296 1HB PHE 40 1HB PHE 40 -6.966 17.731 2.765 297 2HB PHE 40 2HB PHE 40 -8.145 18.952 2.326 298 HD1 PHE 40 1HD PHE 40 -5.099 18.403 3.941 299 HD2 PHE 40 2HD PHE 40 -8.640 20.721 4.254 300 HE1 PHE 40 1HE PHE 40 -3.871 20.091 5.335 301 HE2 PHE 40 2HE PHE 40 -7.412 22.409 5.648 302 HZ PHE 40 HZ PHE 40 -5.042 22.074 6.172 303 HA PRO 41 HA PRO 41 -10.520 14.368 2.303 304 1HB PRO 41 1HB PRO 41 -13.066 14.082 3.252 305 2HB PRO 41 2HB PRO 41 -11.671 13.347 4.015 306 1HG PRO 41 1HG PRO 41 -13.230 15.705 4.880 307 2HG PRO 41 2HG PRO 41 -12.130 14.713 5.816 308 1HD PRO 41 1HD PRO 41 -11.599 17.318 4.741 309 2HD PRO 41 2HD PRO 41 -10.463 16.278 5.577 310 H GLU 42 H GLU 42 -12.002 17.446 2.462 311 HA GLU 42 HA GLU 42 -13.585 16.862 0.133 312 1HB GLU 42 1HB GLU 42 -13.329 19.206 2.026 313 2HB GLU 42 2HB GLU 42 -14.081 19.448 0.461 314 1HG GLU 42 1HG GLU 42 -14.988 17.072 2.076 315 2HG GLU 42 2HG GLU 42 -15.489 18.658 2.629 316 H ASP 43 H ASP 43 -10.834 16.497 -0.353 317 HA ASP 43 HA ASP 43 -10.511 18.340 -2.473 318 1HB ASP 43 1HB ASP 43 -8.570 18.365 -0.120 319 2HB ASP 43 2HB ASP 43 -8.138 18.984 -1.702 320 H PHE 44 H PHE 44 -9.036 15.895 -0.244 321 HA PHE 44 HA PHE 44 -7.833 14.616 -2.597 322 1HB PHE 44 1HB PHE 44 -7.108 14.438 0.388 323 2HB PHE 44 2HB PHE 44 -6.174 13.750 -0.926 324 HD1 PHE 44 1HD PHE 44 -6.720 16.639 1.105 325 HD2 PHE 44 2HD PHE 44 -5.119 15.352 -2.609 326 HE1 PHE 44 1HE PHE 44 -5.378 18.755 0.950 327 HE2 PHE 44 2HE PHE 44 -3.778 17.468 -2.764 328 HZ PHE 44 HZ PHE 44 -3.924 19.144 -0.983 329 H TYR 45 H TYR 45 -8.350 12.490 -3.034 330 HA TYR 45 HA TYR 45 -9.268 10.692 -1.082 331 1HB TYR 45 1HB TYR 45 -11.658 10.607 -2.034 332 2HB TYR 45 2HB TYR 45 -11.312 12.088 -1.163 333 HD1 TYR 45 1HD TYR 45 -11.445 10.645 -4.604 334 HD2 TYR 45 2HD TYR 45 -11.569 14.187 -2.208 335 HE1 TYR 45 1HE TYR 45 -12.117 12.008 -6.642 336 HE2 TYR 45 2HE TYR 45 -12.239 15.539 -4.255 337 HH TYR 45 HH TYR 45 -13.532 14.412 -6.812 338 H VAL 46 H VAL 46 -9.593 8.560 -1.957 339 HA VAL 46 HA VAL 46 -8.533 8.347 -4.673 340 HB VAL 46 HB VAL 46 -8.698 6.430 -2.345 341 1HG1 VAL 46 1HG1 VAL 46 -9.098 5.221 -4.459 342 2HG1 VAL 46 2HG1 VAL 46 -7.593 5.899 -5.125 343 3HG1 VAL 46 3HG1 VAL 46 -7.531 4.791 -3.733 344 1HG2 VAL 46 1HG2 VAL 46 -6.517 8.049 -3.629 345 2HG2 VAL 46 2HG2 VAL 46 -6.882 7.791 -1.905 346 3HG2 VAL 46 3HG2 VAL 46 -6.119 6.495 -2.858 347 H GLU 47 H GLU 47 -9.678 7.367 -6.333 348 HA GLU 47 HA GLU 47 -12.387 6.571 -5.595 349 1HB GLU 47 1HB GLU 47 -11.481 7.738 -8.262 350 2HB GLU 47 2HB GLU 47 -13.129 7.372 -7.793 351 1HG GLU 47 1HG GLU 47 -11.859 9.089 -5.791 352 2HG GLU 47 2HG GLU 47 -11.729 9.811 -7.383 353 H GLY 48 H GLY 48 -13.374 5.058 -7.423 354 1HA GLY 48 1HA GLY 48 -13.103 3.305 -8.902 355 2HA GLY 48 2HA GLY 48 -11.370 3.327 -8.646 356 H LEU 49 H LEU 49 -11.859 3.509 -5.593 357 HA LEU 49 HA LEU 49 -11.388 0.951 -4.902 358 1HB LEU 49 1HB LEU 49 -12.787 3.170 -3.429 359 2HB LEU 49 2HB LEU 49 -12.476 1.619 -2.674 360 HG LEU 49 HG LEU 49 -10.256 3.239 -3.924 361 1HD1 LEU 49 1HD1 LEU 49 -10.232 3.503 -1.080 362 2HD1 LEU 49 2HD1 LEU 49 -10.335 4.771 -2.325 363 3HD1 LEU 49 3HD1 LEU 49 -11.821 4.028 -1.686 364 1HD2 LEU 49 1HD2 LEU 49 -9.029 1.948 -2.000 365 2HD2 LEU 49 2HD2 LEU 49 -10.435 0.862 -2.108 366 3HD2 LEU 49 3HD2 LEU 49 -9.411 1.136 -3.538 367 HA PRO 50 HA PRO 50 -15.041 -1.280 -5.449 368 1HB PRO 50 1HB PRO 50 -14.693 -3.343 -3.690 369 2HB PRO 50 2HB PRO 50 -13.930 -3.289 -5.266 370 1HG PRO 50 1HG PRO 50 -12.727 -2.814 -2.608 371 2HG PRO 50 2HG PRO 50 -11.929 -3.182 -4.125 372 1HD PRO 50 1HD PRO 50 -12.101 -0.616 -2.855 373 2HD PRO 50 2HD PRO 50 -11.405 -0.964 -4.426 374 H GLU 51 H GLU 51 -17.049 -2.212 -4.438 375 HA GLU 51 HA GLU 51 -18.115 -0.216 -2.851 376 1HB GLU 51 1HB GLU 51 -19.006 -2.623 -4.146 377 2HB GLU 51 2HB GLU 51 -19.594 -2.669 -2.496 378 1HG GLU 51 1HG GLU 51 -21.273 -1.506 -3.769 379 2HG GLU 51 2HG GLU 51 -20.452 -0.284 -2.819 380 H GLY 52 H GLY 52 -18.766 -0.200 -0.599 381 1HA GLY 52 1HA GLY 52 -18.336 -0.462 1.593 382 2HA GLY 52 2HA GLY 52 -18.395 -2.182 1.262 383 H VAL 53 H VAL 53 -15.973 -0.191 -0.387 384 HA VAL 53 HA VAL 53 -13.951 -1.122 1.522 385 HB VAL 53 HB VAL 53 -13.738 -1.227 -1.493 386 1HG1 VAL 53 1HG1 VAL 53 -11.820 -2.747 0.140 387 2HG1 VAL 53 2HG1 VAL 53 -11.550 -1.698 -1.272 388 3HG1 VAL 53 3HG1 VAL 53 -11.708 -0.983 0.350 389 1HG2 VAL 53 1HG2 VAL 53 -13.479 -3.802 -0.293 390 2HG2 VAL 53 2HG2 VAL 53 -14.976 -3.060 0.321 391 3HG2 VAL 53 3HG2 VAL 53 -14.719 -3.226 -1.432 392 HA PRO 54 HA PRO 54 -13.444 3.267 0.958 393 1HB PRO 54 1HB PRO 54 -12.676 3.821 3.522 394 2HB PRO 54 2HB PRO 54 -14.345 3.868 2.990 395 1HG PRO 54 1HG PRO 54 -12.980 1.822 4.629 396 2HG PRO 54 2HG PRO 54 -14.698 2.113 4.444 397 1HD PRO 54 1HD PRO 54 -13.173 0.011 3.225 398 2HD PRO 54 2HD PRO 54 -14.866 0.373 2.951 399 H PHE 55 H PHE 55 -11.546 4.828 1.537 400 HA PHE 55 HA PHE 55 -9.223 3.352 0.641 401 1HB PHE 55 1HB PHE 55 -9.974 5.534 -0.387 402 2HB PHE 55 2HB PHE 55 -9.856 6.317 1.176 403 HD1 PHE 55 1HD PHE 55 -7.580 4.117 -0.821 404 HD2 PHE 55 2HD PHE 55 -8.084 7.771 1.278 405 HE1 PHE 55 1HE PHE 55 -5.192 4.724 -1.303 406 HE2 PHE 55 2HE PHE 55 -5.696 8.378 0.795 407 HZ PHE 55 HZ PHE 55 -4.279 6.847 -0.490 408 H ARG 56 H ARG 56 -9.904 2.582 3.248 409 HA ARG 56 HA ARG 56 -8.458 4.207 5.071 410 1HB ARG 56 1HB ARG 56 -10.107 1.710 5.178 411 2HB ARG 56 2HB ARG 56 -8.864 1.829 6.408 412 1HG ARG 56 1HG ARG 56 -10.585 4.256 5.919 413 2HG ARG 56 2HG ARG 56 -11.312 2.899 6.756 414 1HD ARG 56 1HD ARG 56 -8.598 3.916 7.651 415 2HD ARG 56 2HD ARG 56 -10.044 4.780 8.136 416 HE ARG 56 HE ARG 56 -10.511 2.030 8.664 417 1HH1 ARG 56 2HH2 ARG 56 -8.372 4.596 9.771 418 2HH1 ARG 56 1HH2 ARG 56 -8.184 3.930 11.359 419 1HH2 ARG 56 2HH1 ARG 56 -10.263 1.150 10.759 420 2HH2 ARG 56 1HH1 ARG 56 -9.267 1.956 11.924 421 H ARG 57 H ARG 57 -6.957 2.595 6.678 422 HA ARG 57 HA ARG 57 -4.714 2.117 5.073 423 1HB ARG 57 1HB ARG 57 -5.343 1.513 8.001 424 2HB ARG 57 2HB ARG 57 -3.777 1.169 7.294 425 1HG ARG 57 1HG ARG 57 -3.217 3.310 7.822 426 2HG ARG 57 2HG ARG 57 -4.226 3.797 6.475 427 1HD ARG 57 1HD ARG 57 -6.113 3.413 8.486 428 2HD ARG 57 2HD ARG 57 -4.741 4.019 9.393 429 HE ARG 57 HE ARG 57 -5.291 5.555 6.956 430 1HH1 ARG 57 2HH2 ARG 57 -6.048 5.192 10.373 431 2HH1 ARG 57 1HH2 ARG 57 -6.583 6.828 10.559 432 1HH2 ARG 57 2HH1 ARG 57 -5.997 7.714 7.201 433 2HH2 ARG 57 1HH1 ARG 57 -6.555 8.273 8.743 434 HA PRO 58 HA PRO 58 -5.370 -2.115 4.223 435 1HB PRO 58 1HB PRO 58 -2.840 -2.894 3.544 436 2HB PRO 58 2HB PRO 58 -3.914 -2.059 2.440 437 1HG PRO 58 1HG PRO 58 -1.570 -1.003 3.899 438 2HG PRO 58 2HG PRO 58 -2.384 -0.334 2.498 439 1HD PRO 58 1HD PRO 58 -2.610 0.572 5.210 440 2HD PRO 58 2HD PRO 58 -3.511 1.165 3.829 441 H SER 59 H SER 59 -3.542 -1.048 6.816 442 HA SER 59 HA SER 59 -3.020 -3.725 7.723 443 1HB SER 59 1HB SER 59 -2.005 -2.526 9.706 444 2HB SER 59 2HB SER 59 -1.282 -2.114 8.164 445 HG SER 59 HG SER 59 -3.227 -0.561 9.643 446 H THR 60 H THR 60 -5.724 -3.518 7.385 447 HA THR 60 HA THR 60 -6.697 -3.884 10.037 448 HB THR 60 HB THR 60 -6.728 -1.226 9.082 449 HG1 THR 60 1HG THR 60 -8.361 -2.789 10.953 450 1HG2 THR 60 1HG2 THR 60 -8.667 -1.817 7.582 451 2HG2 THR 60 2HG2 THR 60 -9.526 -2.474 8.997 452 3HG2 THR 60 3HG2 THR 60 -9.154 -0.735 8.909 453 H PHE 61 H PHE 61 -7.431 -3.363 6.551 454 HA PHE 61 HA PHE 61 -9.875 -4.551 6.433 455 1HB PHE 61 1HB PHE 61 -7.407 -4.660 4.605 456 2HB PHE 61 2HB PHE 61 -8.973 -5.241 4.075 457 HD1 PHE 61 1HD PHE 61 -7.029 -2.807 3.239 458 HD2 PHE 61 2HD PHE 61 -10.748 -3.158 5.253 459 HE1 PHE 61 1HE PHE 61 -7.644 -0.486 2.509 460 HE2 PHE 61 2HE PHE 61 -11.363 -0.837 4.523 461 HZ PHE 61 HZ PHE 61 -9.803 0.472 3.159 462 H GLY 62 H GLY 62 -10.181 -6.783 5.097 463 1HA GLY 62 1HA GLY 62 -9.023 -8.828 6.845 464 2HA GLY 62 2HA GLY 62 -10.439 -8.980 5.825 465 H ILE 63 H ILE 63 -8.981 -11.083 5.448 466 HA ILE 63 HA ILE 63 -6.736 -10.783 3.767 467 HB ILE 63 HB ILE 63 -8.514 -13.054 4.583 468 1HG1 ILE 63 1HG1 ILE 63 -5.537 -12.894 4.933 469 2HG1 ILE 63 2HG1 ILE 63 -6.572 -11.928 5.966 470 1HG2 ILE 63 1HG2 ILE 63 -7.911 -13.409 2.206 471 2HG2 ILE 63 2HG2 ILE 63 -6.192 -13.292 2.652 472 3HG2 ILE 63 3HG2 ILE 63 -7.192 -14.613 3.302 473 1HD1 ILE 63 1HD1 ILE 63 -7.622 -14.647 5.731 474 2HD1 ILE 63 2HD1 ILE 63 -5.935 -14.657 6.296 475 3HD1 ILE 63 3HD1 ILE 63 -7.168 -13.738 7.192 476 HA PRO 64 HA PRO 64 -9.974 -11.520 0.392 477 1HB PRO 64 1HB PRO 64 -12.621 -11.165 0.972 478 2HB PRO 64 2HB PRO 64 -11.844 -12.735 0.966 479 1HG PRO 64 1HG PRO 64 -12.671 -11.085 3.275 480 2HG PRO 64 2HG PRO 64 -12.295 -12.797 3.227 481 1HD PRO 64 1HD PRO 64 -10.615 -10.699 4.229 482 2HD PRO 64 2HD PRO 64 -10.196 -12.393 4.074 483 H ARG 65 H ARG 65 -11.303 -9.113 2.611 484 HA ARG 65 HA ARG 65 -12.069 -7.318 0.762 485 1HB ARG 65 1HB ARG 65 -11.581 -7.349 3.582 486 2HB ARG 65 2HB ARG 65 -10.767 -5.923 2.973 487 1HG ARG 65 1HG ARG 65 -13.065 -5.598 1.621 488 2HG ARG 65 2HG ARG 65 -13.706 -6.606 2.904 489 1HD ARG 65 1HD ARG 65 -11.935 -4.458 3.916 490 2HD ARG 65 2HD ARG 65 -13.321 -3.837 3.044 491 HE ARG 65 HE ARG 65 -14.044 -5.948 4.931 492 1HH1 ARG 65 2HH2 ARG 65 -13.416 -2.501 4.598 493 2HH1 ARG 65 1HH2 ARG 65 -14.356 -2.066 5.986 494 1HH2 ARG 65 2HH1 ARG 65 -15.284 -5.374 6.763 495 2HH2 ARG 65 1HH1 ARG 65 -15.425 -3.711 7.226 496 H LEU 66 H LEU 66 -8.778 -8.084 1.914 497 HA LEU 66 HA LEU 66 -7.500 -5.795 0.923 498 1HB LEU 66 1HB LEU 66 -6.672 -8.533 1.779 499 2HB LEU 66 2HB LEU 66 -5.520 -7.545 0.903 500 HG LEU 66 HG LEU 66 -6.929 -6.461 3.336 501 1HD1 LEU 66 1HD1 LEU 66 -4.239 -7.616 3.752 502 2HD1 LEU 66 2HD1 LEU 66 -5.658 -7.572 4.825 503 3HD1 LEU 66 3HD1 LEU 66 -5.559 -8.789 3.530 504 1HD2 LEU 66 1HD2 LEU 66 -4.486 -5.385 3.401 505 2HD2 LEU 66 2HD2 LEU 66 -4.592 -5.707 1.653 506 3HD2 LEU 66 3HD2 LEU 66 -5.819 -4.690 2.447 507 H GLU 67 H GLU 67 -8.026 -9.091 -0.495 508 HA GLU 67 HA GLU 67 -6.726 -8.509 -2.871 509 1HB GLU 67 1HB GLU 67 -8.715 -10.583 -1.963 510 2HB GLU 67 2HB GLU 67 -8.382 -10.454 -3.678 511 1HG GLU 67 1HG GLU 67 -5.915 -10.390 -2.059 512 2HG GLU 67 2HG GLU 67 -6.842 -11.854 -1.794 513 H LYS 68 H LYS 68 -10.107 -8.034 -1.774 514 HA LYS 68 HA LYS 68 -11.349 -7.563 -4.160 515 1HB LYS 68 1HB LYS 68 -11.788 -6.150 -1.511 516 2HB LYS 68 2HB LYS 68 -12.918 -6.172 -2.851 517 1HG LYS 68 1HG LYS 68 -12.437 -8.866 -2.579 518 2HG LYS 68 2HG LYS 68 -12.221 -8.344 -0.920 519 1HD LYS 68 1HD LYS 68 -14.454 -7.250 -0.948 520 2HD LYS 68 2HD LYS 68 -14.669 -7.695 -2.630 521 1HE LYS 68 1HE LYS 68 -13.997 -9.947 -0.771 522 2HE LYS 68 2HE LYS 68 -15.570 -9.212 -0.534 523 1HZ LYS 68 1HZ LYS 68 -14.852 -9.763 -3.265 524 2HZ LYS 68 2HZ LYS 68 -15.101 -11.075 -2.325 525 3HZ LYS 68 3HZ LYS 68 -16.282 -9.962 -2.503 526 H ILE 69 H ILE 69 -9.160 -5.433 -2.281 527 HA ILE 69 HA ILE 69 -9.637 -3.158 -3.899 528 HB ILE 69 HB ILE 69 -7.492 -3.916 -1.926 529 1HG1 ILE 69 1HG1 ILE 69 -9.190 -1.608 -1.360 530 2HG1 ILE 69 2HG1 ILE 69 -10.128 -3.069 -1.594 531 1HG2 ILE 69 1HG2 ILE 69 -6.180 -2.347 -2.798 532 2HG2 ILE 69 2HG2 ILE 69 -7.450 -1.803 -3.920 533 3HG2 ILE 69 3HG2 ILE 69 -7.387 -1.154 -2.264 534 1HD1 ILE 69 1HD1 ILE 69 -8.493 -4.240 0.011 535 2HD1 ILE 69 2HD1 ILE 69 -7.860 -2.620 0.387 536 3HD1 ILE 69 3HD1 ILE 69 -9.559 -3.015 0.739 537 H LEU 70 H LEU 70 -6.745 -5.353 -3.640 538 HA LEU 70 HA LEU 70 -5.329 -4.421 -5.736 539 1HB LEU 70 1HB LEU 70 -5.705 -7.198 -4.652 540 2HB LEU 70 2HB LEU 70 -4.625 -6.893 -5.998 541 HG LEU 70 HG LEU 70 -4.096 -5.031 -3.838 542 1HD1 LEU 70 1HD1 LEU 70 -4.908 -6.612 -2.279 543 2HD1 LEU 70 2HD1 LEU 70 -4.145 -7.971 -3.139 544 3HD1 LEU 70 3HD1 LEU 70 -3.136 -6.783 -2.278 545 1HD2 LEU 70 1HD2 LEU 70 -2.610 -5.648 -5.761 546 2HD2 LEU 70 2HD2 LEU 70 -1.834 -5.723 -4.161 547 3HD2 LEU 70 3HD2 LEU 70 -2.343 -7.222 -4.973 548 H ARG 71 H ARG 71 -8.025 -6.838 -5.885 549 HA ARG 71 HA ARG 71 -7.980 -7.537 -8.418 550 1HB ARG 71 1HB ARG 71 -10.328 -6.740 -6.658 551 2HB ARG 71 2HB ARG 71 -10.615 -7.312 -8.290 552 1HG ARG 71 1HG ARG 71 -9.659 -9.460 -7.836 553 2HG ARG 71 2HG ARG 71 -8.852 -8.895 -6.387 554 1HD ARG 71 1HD ARG 71 -10.699 -9.247 -5.083 555 2HD ARG 71 2HD ARG 71 -11.773 -8.493 -6.246 556 HE ARG 71 HE ARG 71 -11.004 -10.973 -7.369 557 1HH1 ARG 71 2HH2 ARG 71 -12.756 -9.829 -4.540 558 2HH1 ARG 71 1HH2 ARG 71 -13.752 -11.241 -4.428 559 1HH2 ARG 71 2HH1 ARG 71 -12.318 -12.837 -7.221 560 2HH2 ARG 71 1HH1 ARG 71 -13.501 -12.964 -5.963 561 H ASN 72 H ASN 72 -9.079 -4.353 -7.142 562 HA ASN 72 HA ASN 72 -9.373 -3.479 -9.905 563 1HB ASN 72 1HB ASN 72 -10.599 -2.499 -7.288 564 2HB ASN 72 2HB ASN 72 -10.604 -1.485 -8.717 565 1HD2 ASN 72 1HD2 ASN 72 -12.917 -2.329 -7.486 566 2HD2 ASN 72 2HD2 ASN 72 -13.792 -3.414 -8.514 567 H LYS 73 H LYS 73 -6.761 -3.636 -9.204 568 HA LYS 73 HA LYS 73 -5.917 -1.253 -7.816 569 1HB LYS 73 1HB LYS 73 -3.727 -2.174 -7.936 570 2HB LYS 73 2HB LYS 73 -4.816 -3.486 -7.536 571 1HG LYS 73 1HG LYS 73 -4.761 -4.362 -9.784 572 2HG LYS 73 2HG LYS 73 -4.030 -2.901 -10.418 573 1HD LYS 73 1HD LYS 73 -2.170 -4.325 -10.271 574 2HD LYS 73 2HD LYS 73 -2.054 -3.445 -8.760 575 1HE LYS 73 1HE LYS 73 -3.302 -5.318 -7.610 576 2HE LYS 73 2HE LYS 73 -3.318 -6.205 -9.122 577 1HZ LYS 73 1HZ LYS 73 -0.859 -6.001 -9.087 578 2HZ LYS 73 2HZ LYS 73 -0.961 -5.413 -7.567 579 3HZ LYS 73 3HZ LYS 73 -1.476 -6.928 -7.893 580 H ALA 74 H ALA 74 -7.003 -2.010 -10.932 581 HA ALA 74 HA ALA 74 -5.260 0.000 -12.158 582 1HB ALA 74 1HB ALA 74 -5.302 -2.118 -13.328 583 2HB ALA 74 2HB ALA 74 -7.082 -2.149 -13.308 584 3HB ALA 74 3HB ALA 74 -6.224 -0.938 -14.291 585 H LYS 75 H LYS 75 -8.527 -0.711 -11.032 586 HA LYS 75 HA LYS 75 -9.706 1.437 -12.532 587 1HB LYS 75 1HB LYS 75 -10.857 -0.217 -10.266 588 2HB LYS 75 2HB LYS 75 -11.750 0.821 -11.359 589 1HG LYS 75 1HG LYS 75 -10.944 -0.590 -13.297 590 2HG LYS 75 2HG LYS 75 -10.151 -1.658 -12.157 591 1HD LYS 75 1HD LYS 75 -12.109 -2.684 -11.574 592 2HD LYS 75 2HD LYS 75 -12.971 -1.164 -11.438 593 1HE LYS 75 1HE LYS 75 -12.289 -1.834 -14.238 594 2HE LYS 75 2HE LYS 75 -13.292 -3.055 -13.481 595 1HZ LYS 75 1HZ LYS 75 -13.879 -0.183 -13.658 596 2HZ LYS 75 2HZ LYS 75 -14.669 -1.395 -14.414 597 3HZ LYS 75 3HZ LYS 75 -14.775 -1.238 -12.792 598 H ILE 76 H ILE 76 -8.358 0.852 -9.274 599 HA ILE 76 HA ILE 76 -9.379 3.068 -7.987 600 HB ILE 76 HB ILE 76 -6.931 1.381 -7.691 601 1HG1 ILE 76 1HG1 ILE 76 -9.129 1.949 -5.697 602 2HG1 ILE 76 2HG1 ILE 76 -9.311 0.744 -6.957 603 1HG2 ILE 76 1HG2 ILE 76 -6.095 3.572 -7.128 604 2HG2 ILE 76 2HG2 ILE 76 -7.510 3.891 -6.096 605 3HG2 ILE 76 3HG2 ILE 76 -6.338 2.633 -5.635 606 1HD1 ILE 76 1HD1 ILE 76 -6.986 0.792 -4.979 607 2HD1 ILE 76 2HD1 ILE 76 -8.452 -0.197 -4.781 608 3HD1 ILE 76 3HD1 ILE 76 -7.358 -0.492 -6.154 609 H LYS 77 H LYS 77 -8.706 5.228 -7.731 610 HA LYS 77 HA LYS 77 -6.432 6.128 -9.264 611 1HB LYS 77 1HB LYS 77 -8.677 6.026 -10.701 612 2HB LYS 77 2HB LYS 77 -8.989 7.547 -9.890 613 1HG LYS 77 1HG LYS 77 -6.962 8.541 -10.746 614 2HG LYS 77 2HG LYS 77 -6.325 6.991 -11.256 615 1HD LYS 77 1HD LYS 77 -7.350 7.166 -13.271 616 2HD LYS 77 2HD LYS 77 -8.912 7.386 -12.508 617 1HE LYS 77 1HE LYS 77 -8.872 9.661 -12.788 618 2HE LYS 77 2HE LYS 77 -7.190 9.788 -12.311 619 1HZ LYS 77 1HZ LYS 77 -7.250 10.322 -14.550 620 2HZ LYS 77 2HZ LYS 77 -6.701 8.784 -14.550 621 3HZ LYS 77 3HZ LYS 77 -8.254 9.097 -14.947 622 H PHE 78 H PHE 78 -5.718 8.249 -8.608 623 HA PHE 78 HA PHE 78 -6.929 9.034 -6.054 624 1HB PHE 78 1HB PHE 78 -4.133 9.059 -7.290 625 2HB PHE 78 2HB PHE 78 -4.491 10.159 -5.974 626 HD1 PHE 78 1HD PHE 78 -3.680 9.434 -3.954 627 HD2 PHE 78 2HD PHE 78 -5.194 6.550 -6.673 628 HE1 PHE 78 1HE PHE 78 -3.187 7.614 -2.297 629 HE2 PHE 78 2HE PHE 78 -4.702 4.729 -5.017 630 HZ PHE 78 HZ PHE 78 -3.704 5.283 -2.849 631 H ILE 79 H ILE 79 -7.924 10.992 -5.951 632 HA ILE 79 HA ILE 79 -7.441 12.819 -8.188 633 HB ILE 79 HB ILE 79 -9.776 12.280 -6.392 634 1HG1 ILE 79 1HG1 ILE 79 -10.975 11.993 -8.421 635 2HG1 ILE 79 2HG1 ILE 79 -9.710 12.737 -9.379 636 1HG2 ILE 79 1HG2 ILE 79 -9.987 14.516 -6.124 637 2HG2 ILE 79 2HG2 ILE 79 -8.991 14.899 -7.550 638 3HG2 ILE 79 3HG2 ILE 79 -10.689 14.405 -7.756 639 1HD1 ILE 79 1HD1 ILE 79 -9.829 10.161 -9.425 640 2HD1 ILE 79 2HD1 ILE 79 -8.231 10.871 -9.091 641 3HD1 ILE 79 3HD1 ILE 79 -9.207 10.210 -7.758 642 H ILE 80 H ILE 80 -6.149 14.536 -7.835 643 HA ILE 80 HA ILE 80 -5.936 15.463 -5.055 644 HB ILE 80 HB ILE 80 -3.820 15.573 -7.205 645 1HG1 ILE 80 1HG1 ILE 80 -4.588 13.263 -6.139 646 2HG1 ILE 80 2HG1 ILE 80 -2.907 13.625 -6.476 647 1HG2 ILE 80 1HG2 ILE 80 -3.626 16.138 -4.235 648 2HG2 ILE 80 2HG2 ILE 80 -2.327 16.277 -5.444 649 3HG2 ILE 80 3HG2 ILE 80 -3.725 17.377 -5.510 650 1HD1 ILE 80 1HD1 ILE 80 -4.307 13.981 -3.786 651 2HD1 ILE 80 2HD1 ILE 80 -3.122 12.720 -4.200 652 3HD1 ILE 80 3HD1 ILE 80 -2.615 14.424 -4.117 653 H LYS 81 H LYS 81 -7.061 17.313 -4.792 654 HA LYS 81 HA LYS 81 -7.474 19.009 -7.108 655 1HB LYS 81 1HB LYS 81 -8.603 19.175 -4.297 656 2HB LYS 81 2HB LYS 81 -9.079 20.176 -5.654 657 1HG LYS 81 1HG LYS 81 -9.647 17.993 -6.907 658 2HG LYS 81 2HG LYS 81 -9.425 17.159 -5.382 659 1HD LYS 81 1HD LYS 81 -11.186 18.559 -4.328 660 2HD LYS 81 2HD LYS 81 -11.375 19.472 -5.812 661 1HE LYS 81 1HE LYS 81 -11.628 16.497 -6.077 662 2HE LYS 81 2HE LYS 81 -12.902 17.290 -5.172 663 1HZ LYS 81 1HZ LYS 81 -13.621 18.348 -6.994 664 2HZ LYS 81 2HZ LYS 81 -12.137 18.561 -7.640 665 3HZ LYS 81 3HZ LYS 81 -12.893 17.121 -7.788 666 H LYS 82 H LYS 82 -5.746 18.921 -3.979 667 HA LYS 82 HA LYS 82 -4.487 21.456 -4.766 668 1HB LYS 82 1HB LYS 82 -5.004 20.532 -1.926 669 2HB LYS 82 2HB LYS 82 -4.316 22.062 -2.432 670 1HG LYS 82 1HG LYS 82 -6.595 22.230 -3.848 671 2HG LYS 82 2HG LYS 82 -7.170 21.103 -2.636 672 1HD LYS 82 1HD LYS 82 -7.107 22.669 -0.943 673 2HD LYS 82 2HD LYS 82 -5.643 23.420 -1.545 674 1HE LYS 82 1HE LYS 82 -6.991 25.119 -2.250 675 2HE LYS 82 2HE LYS 82 -7.458 24.047 -3.555 676 1HZ LYS 82 1HZ LYS 82 -8.969 24.888 -1.319 677 2HZ LYS 82 2HZ LYS 82 -9.477 24.201 -2.711 678 3HZ LYS 82 3HZ LYS 82 -8.989 23.261 -1.468 679 HA PRO 83 HA PRO 83 -1.311 18.290 -4.656 680 1HB PRO 83 1HB PRO 83 -0.039 19.019 -6.963 681 2HB PRO 83 2HB PRO 83 -1.296 17.798 -6.906 682 1HG PRO 83 1HG PRO 83 -1.456 20.577 -7.900 683 2HG PRO 83 2HG PRO 83 -2.538 19.235 -8.214 684 1HD PRO 83 1HD PRO 83 -2.999 21.428 -6.423 685 2HD PRO 83 2HD PRO 83 -4.026 20.027 -6.651 686 H GLU 84 H GLU 84 -1.256 21.709 -4.951 687 HA GLU 84 HA GLU 84 1.473 22.039 -4.582 688 1HB GLU 84 1HB GLU 84 0.884 24.361 -3.951 689 2HB GLU 84 2HB GLU 84 -0.004 23.843 -5.370 690 1HG GLU 84 1HG GLU 84 -1.724 23.056 -3.348 691 2HG GLU 84 2HG GLU 84 -1.006 24.490 -2.641 692 H MET 85 H MET 85 -1.019 20.926 -2.443 693 HA MET 85 HA MET 85 0.452 21.743 -0.098 694 1HB MET 85 1HB MET 85 -2.212 20.321 -0.596 695 2HB MET 85 2HB MET 85 -1.552 20.477 1.019 696 1HG MET 85 1HG MET 85 -1.556 23.032 -0.492 697 2HG MET 85 2HG MET 85 -3.160 22.367 -0.255 698 1HE MET 85 1HE MET 85 -2.711 20.742 2.629 699 2HE MET 85 2HE MET 85 -3.512 22.038 3.551 700 3HE MET 85 3HE MET 85 -4.107 21.599 1.932 701 H PHE 86 H PHE 86 0.508 19.204 -2.343 702 HA PHE 86 HA PHE 86 1.047 17.118 -0.424 703 1HB PHE 86 1HB PHE 86 0.348 17.480 -3.242 704 2HB PHE 86 2HB PHE 86 1.806 16.511 -3.163 705 HD1 PHE 86 1HD PHE 86 1.666 14.223 -2.731 706 HD2 PHE 86 2HD PHE 86 -1.652 16.701 -1.804 707 HE1 PHE 86 1HE PHE 86 0.286 12.188 -2.230 708 HE2 PHE 86 2HE PHE 86 -3.032 14.665 -1.303 709 HZ PHE 86 HZ PHE 86 -2.047 12.433 -1.522 710 H GLU 87 H GLU 87 2.803 19.335 -2.616 711 HA GLU 87 HA GLU 87 5.169 18.190 -2.908 712 1HB GLU 87 1HB GLU 87 4.163 20.893 -2.826 713 2HB GLU 87 2HB GLU 87 5.727 20.874 -2.037 714 1HG GLU 87 1HG GLU 87 6.215 19.271 -4.245 715 2HG GLU 87 2HG GLU 87 5.043 20.400 -4.895 716 H THR 88 H THR 88 3.969 19.758 0.113 717 HA THR 88 HA THR 88 6.296 19.665 1.597 718 HB THR 88 HB THR 88 3.358 19.319 2.394 719 HG1 THR 88 1HG THR 88 3.590 21.632 2.553 720 1HG2 THR 88 1HG2 THR 88 4.917 18.712 4.278 721 2HG2 THR 88 2HG2 THR 88 5.771 20.255 4.035 722 3HG2 THR 88 3HG2 THR 88 4.077 20.252 4.581 723 H ALA 89 H ALA 89 3.824 17.082 1.097 724 HA ALA 89 HA ALA 89 5.046 15.261 2.846 725 1HB ALA 89 1HB ALA 89 2.672 15.352 1.683 726 2HB ALA 89 2HB ALA 89 3.486 14.402 0.417 727 3HB ALA 89 3HB ALA 89 3.416 13.786 2.085 728 H ILE 90 H ILE 90 5.191 15.619 -0.768 729 HA ILE 90 HA ILE 90 6.989 13.559 -1.194 730 HB ILE 90 HB ILE 90 6.568 16.122 -2.735 731 1HG1 ILE 90 1HG1 ILE 90 5.411 13.746 -3.899 732 2HG1 ILE 90 2HG1 ILE 90 4.826 13.944 -2.260 733 1HG2 ILE 90 1HG2 ILE 90 7.955 15.411 -4.344 734 2HG2 ILE 90 2HG2 ILE 90 8.656 14.389 -3.067 735 3HG2 ILE 90 3HG2 ILE 90 7.442 13.714 -4.181 736 1HD1 ILE 90 1HD1 ILE 90 4.739 16.037 -4.480 737 2HD1 ILE 90 2HD1 ILE 90 3.354 15.178 -3.765 738 3HD1 ILE 90 3HD1 ILE 90 4.271 16.353 -2.792 739 H LYS 91 H LYS 91 7.452 16.889 -0.031 740 HA LYS 91 HA LYS 91 10.287 16.808 -0.395 741 1HB LYS 91 1HB LYS 91 9.642 18.978 -0.463 742 2HB LYS 91 2HB LYS 91 8.258 18.727 0.581 743 1HG LYS 91 1HG LYS 91 9.547 18.901 2.563 744 2HG LYS 91 2HG LYS 91 11.046 18.508 1.745 745 1HD LYS 91 1HD LYS 91 11.424 20.679 1.115 746 2HD LYS 91 2HD LYS 91 9.749 20.948 0.676 747 1HE LYS 91 1HE LYS 91 9.277 21.922 2.682 748 2HE LYS 91 2HE LYS 91 10.021 20.613 3.578 749 1HZ LYS 91 1HZ LYS 91 11.029 23.107 3.242 750 2HZ LYS 91 2HZ LYS 91 11.830 21.820 3.849 751 3HZ LYS 91 3HZ LYS 91 11.958 22.187 2.263 752 H GLU 92 H GLU 92 7.976 16.423 2.359 753 HA GLU 92 HA GLU 92 9.875 16.158 4.319 754 1HB GLU 92 1HB GLU 92 7.051 15.102 4.005 755 2HB GLU 92 2HB GLU 92 7.986 14.711 5.434 756 1HG GLU 92 1HG GLU 92 8.149 17.578 4.768 757 2HG GLU 92 2HG GLU 92 6.492 17.058 5.010 758 H SER 93 H SER 93 8.225 13.576 2.363 759 HA SER 93 HA SER 93 9.347 11.406 3.466 760 1HB SER 93 1HB SER 93 7.921 12.003 1.117 761 2HB SER 93 2HB SER 93 9.378 11.225 0.530 762 HG SER 93 HG SER 93 7.213 10.049 1.596 763 H SER 94 H SER 94 11.308 10.209 3.239 764 HA SER 94 HA SER 94 13.435 11.763 1.991 765 1HB SER 94 1HB SER 94 13.392 9.902 4.386 766 2HB SER 94 2HB SER 94 14.897 10.245 3.558 767 HG SER 94 HG SER 94 14.841 12.355 4.197 768 H GLY 95 H GLY 95 12.326 8.375 2.713 769 1HA GLY 95 1HA GLY 95 12.613 6.442 1.604 770 2HA GLY 95 2HA GLY 95 12.521 7.402 0.141 771 HA PRO 96 HA PRO 96 16.710 5.669 0.288 772 1HB PRO 96 1HB PRO 96 16.701 4.481 -2.174 773 2HB PRO 96 2HB PRO 96 16.298 3.628 -0.697 774 1HG PRO 96 1HG PRO 96 14.494 4.596 -2.829 775 2HG PRO 96 2HG PRO 96 14.183 3.398 -1.588 776 1HD PRO 96 1HD PRO 96 13.253 6.111 -1.627 777 2HD PRO 96 2HD PRO 96 13.041 4.949 -0.333 778 H SER 97 H SER 97 16.490 8.247 0.191 779 HA SER 97 HA SER 97 18.488 8.961 -1.554 780 1HB SER 97 1HB SER 97 16.860 8.684 -3.367 781 2HB SER 97 2HB SER 97 15.695 9.692 -2.533 782 HG SER 97 HG SER 97 16.572 11.310 -3.621 783 H SER 98 H SER 98 19.074 9.856 0.551 784 HA SER 98 HA SER 98 17.366 11.758 1.757 785 1HB SER 98 1HB SER 98 19.606 10.246 2.529 786 2HB SER 98 2HB SER 98 20.196 11.896 2.553 787 HG SER 98 HG SER 98 19.267 11.322 4.599 788 H GLY 99 H GLY 99 16.955 13.511 0.357 789 1HA GLY 99 1HA GLY 99 19.341 15.053 -0.477 790 2HA GLY 99 2HA GLY 99 17.889 14.900 -1.446 Start of MODEL 2 1 1H GLY 1 H GLY 1 -11.578 -10.587 15.283 2 1HA GLY 1 1HA GLY 1 -11.307 -12.834 15.402 3 2HA GLY 1 2HA GLY 1 -12.268 -12.803 13.937 4 H SER 2 H SER 2 -11.213 -12.889 11.832 5 HA SER 2 HA SER 2 -9.031 -14.597 11.824 6 1HB SER 2 1HB SER 2 -10.923 -13.831 9.997 7 2HB SER 2 2HB SER 2 -9.534 -12.962 9.375 8 HG SER 2 HG SER 2 -8.914 -15.589 10.086 9 H SER 3 H SER 3 -7.167 -13.804 12.856 10 HA SER 3 HA SER 3 -6.216 -11.217 11.954 11 1HB SER 3 1HB SER 3 -6.018 -12.779 14.442 12 2HB SER 3 2HB SER 3 -4.459 -12.164 13.929 13 HG SER 3 HG SER 3 -6.488 -10.259 13.696 14 H GLY 4 H GLY 4 -4.142 -10.966 10.968 15 1HA GLY 4 1HA GLY 4 -1.965 -12.212 10.666 16 2HA GLY 4 2HA GLY 4 -2.959 -13.497 10.008 17 H SER 5 H SER 5 -3.558 -13.442 7.854 18 HA SER 5 HA SER 5 -3.661 -12.791 5.787 19 1HB SER 5 1HB SER 5 -5.065 -10.898 7.031 20 2HB SER 5 2HB SER 5 -3.745 -9.863 6.524 21 HG SER 5 HG SER 5 -4.289 -10.096 4.414 22 H SER 6 H SER 6 -2.334 -11.949 4.001 23 HA SER 6 HA SER 6 -0.131 -10.298 4.564 24 1HB SER 6 1HB SER 6 1.673 -11.944 4.131 25 2HB SER 6 2HB SER 6 0.780 -12.339 5.587 26 HG SER 6 HG SER 6 -0.151 -14.088 4.617 27 H GLY 7 H GLY 7 1.499 -10.549 2.471 28 1HA GLY 7 1HA GLY 7 1.737 -10.581 0.219 29 2HA GLY 7 2HA GLY 7 0.224 -11.452 0.068 30 H LEU 8 H LEU 8 -1.835 -10.061 0.663 31 HA LEU 8 HA LEU 8 -1.987 -7.989 -1.163 32 1HB LEU 8 1HB LEU 8 -3.747 -8.490 1.241 33 2HB LEU 8 2HB LEU 8 -4.159 -7.531 -0.166 34 HG LEU 8 HG LEU 8 -5.233 -9.455 -0.716 35 1HD1 LEU 8 1HD1 LEU 8 -2.434 -10.091 -1.689 36 2HD1 LEU 8 2HD1 LEU 8 -3.945 -10.789 -2.318 37 3HD1 LEU 8 3HD1 LEU 8 -3.625 -9.048 -2.503 38 1HD2 LEU 8 1HD2 LEU 8 -5.107 -11.291 0.525 39 2HD2 LEU 8 2HD2 LEU 8 -3.433 -11.599 0.002 40 3HD2 LEU 8 3HD2 LEU 8 -3.749 -10.544 1.400 41 H LYS 9 H LYS 9 -1.625 -7.885 2.444 42 HA LYS 9 HA LYS 9 -1.736 -5.262 2.926 43 1HB LYS 9 1HB LYS 9 -0.417 -7.559 4.116 44 2HB LYS 9 2HB LYS 9 0.530 -6.105 4.359 45 1HG LYS 9 1HG LYS 9 -1.416 -4.934 5.316 46 2HG LYS 9 2HG LYS 9 -2.462 -6.290 4.944 47 1HD LYS 9 1HD LYS 9 -0.299 -7.393 6.431 48 2HD LYS 9 2HD LYS 9 -0.710 -5.898 7.249 49 1HE LYS 9 1HE LYS 9 -3.195 -6.704 7.058 50 2HE LYS 9 2HE LYS 9 -2.520 -8.276 6.678 51 1HZ LYS 9 1HZ LYS 9 -1.147 -7.876 8.777 52 2HZ LYS 9 2HZ LYS 9 -2.271 -6.751 9.148 53 3HZ LYS 9 3HZ LYS 9 -2.712 -8.309 8.944 54 H GLN 10 H GLN 10 1.347 -6.924 1.936 55 HA GLN 10 HA GLN 10 2.773 -4.608 1.620 56 1HB GLN 10 1HB GLN 10 3.250 -7.332 1.332 57 2HB GLN 10 2HB GLN 10 3.459 -6.750 -0.307 58 1HG GLN 10 1HG GLN 10 4.858 -4.815 0.980 59 2HG GLN 10 2HG GLN 10 5.049 -6.097 2.160 60 1HE2 GLN 10 1HE2 GLN 10 5.646 -5.061 -1.118 61 2HE2 GLN 10 2HE2 GLN 10 6.863 -6.223 -1.530 62 H LYS 11 H LYS 11 1.027 -6.561 -0.904 63 HA LYS 11 HA LYS 11 1.581 -4.967 -3.062 64 1HB LYS 11 1HB LYS 11 -0.833 -6.665 -2.393 65 2HB LYS 11 2HB LYS 11 -0.627 -5.883 -3.948 66 1HG LYS 11 1HG LYS 11 0.943 -7.393 -4.627 67 2HG LYS 11 2HG LYS 11 1.818 -7.297 -3.111 68 1HD LYS 11 1HD LYS 11 1.012 -9.351 -2.589 69 2HD LYS 11 2HD LYS 11 -0.580 -8.634 -2.441 70 1HE LYS 11 1HE LYS 11 -0.544 -8.892 -5.130 71 2HE LYS 11 2HE LYS 11 0.612 -10.154 -4.755 72 1HZ LYS 11 1HZ LYS 11 -2.168 -9.954 -3.866 73 2HZ LYS 11 2HZ LYS 11 -1.456 -11.164 -4.701 74 3HZ LYS 11 3HZ LYS 11 -1.108 -10.947 -3.120 75 H VAL 12 H VAL 12 -1.582 -4.866 -1.276 76 HA VAL 12 HA VAL 12 -2.534 -2.568 -2.317 77 HB VAL 12 HB VAL 12 -2.722 -3.544 0.540 78 1HG1 VAL 12 1HG1 VAL 12 -3.431 -1.164 0.227 79 2HG1 VAL 12 2HG1 VAL 12 -4.638 -1.725 -0.955 80 3HG1 VAL 12 3HG1 VAL 12 -4.745 -2.248 0.743 81 1HG2 VAL 12 1HG2 VAL 12 -3.887 -4.452 -2.006 82 2HG2 VAL 12 2HG2 VAL 12 -3.719 -5.300 -0.450 83 3HG2 VAL 12 3HG2 VAL 12 -5.082 -4.186 -0.715 84 H GLU 13 H GLU 13 -0.236 -2.894 0.459 85 HA GLU 13 HA GLU 13 -0.113 -0.277 1.163 86 1HB GLU 13 1HB GLU 13 1.743 -2.617 1.325 87 2HB GLU 13 2HB GLU 13 2.473 -1.044 1.581 88 1HG GLU 13 1HG GLU 13 -0.066 -1.894 3.035 89 2HG GLU 13 2HG GLU 13 1.528 -2.260 3.666 90 H ASN 14 H ASN 14 1.780 -2.006 -1.397 91 HA ASN 14 HA ASN 14 3.292 0.226 -2.087 92 1HB ASN 14 1HB ASN 14 2.706 -2.478 -3.225 93 2HB ASN 14 2HB ASN 14 3.190 -1.284 -4.413 94 1HD2 ASN 14 1HD2 ASN 14 4.085 -3.022 -1.518 95 2HD2 ASN 14 2HD2 ASN 14 5.793 -2.740 -1.576 96 H LEU 15 H LEU 15 0.191 -1.213 -3.263 97 HA LEU 15 HA LEU 15 -0.241 0.193 -5.540 98 1HB LEU 15 1HB LEU 15 -1.856 -1.334 -5.188 99 2HB LEU 15 2HB LEU 15 -1.920 -1.053 -3.459 100 HG LEU 15 HG LEU 15 -3.170 1.083 -3.919 101 1HD1 LEU 15 1HD1 LEU 15 -4.007 1.630 -6.027 102 2HD1 LEU 15 2HD1 LEU 15 -2.321 1.157 -6.346 103 3HD1 LEU 15 3HD1 LEU 15 -3.645 0.021 -6.698 104 1HD2 LEU 15 1HD2 LEU 15 -5.191 -0.471 -4.971 105 2HD2 LEU 15 2HD2 LEU 15 -4.116 -1.670 -4.212 106 3HD2 LEU 15 3HD2 LEU 15 -4.768 -0.323 -3.249 107 H PHE 16 H PHE 16 -1.536 1.239 -2.305 108 HA PHE 16 HA PHE 16 -2.339 3.723 -3.035 109 1HB PHE 16 1HB PHE 16 -0.921 2.745 -0.485 110 2HB PHE 16 2HB PHE 16 -1.848 4.230 -0.561 111 HD1 PHE 16 1HD PHE 16 -4.112 3.154 -2.310 112 HD2 PHE 16 2HD PHE 16 -2.198 1.602 1.145 113 HE1 PHE 16 1HE PHE 16 -6.196 1.882 -1.726 114 HE2 PHE 16 2HE PHE 16 -4.282 0.331 1.729 115 HZ PHE 16 HZ PHE 16 -6.256 0.486 0.286 116 H ASN 17 H ASN 17 0.843 3.036 -1.401 117 HA ASN 17 HA ASN 17 1.944 5.423 -1.494 118 1HB ASN 17 1HB ASN 17 3.175 2.708 -2.139 119 2HB ASN 17 2HB ASN 17 4.177 4.144 -2.060 120 1HD2 ASN 17 1HD2 ASN 17 4.896 4.826 -0.173 121 2HD2 ASN 17 2HD2 ASN 17 4.390 4.272 1.388 122 H GLU 18 H GLU 18 2.422 2.964 -4.156 123 HA GLU 18 HA GLU 18 3.672 4.530 -5.939 124 1HB GLU 18 1HB GLU 18 2.081 2.070 -6.017 125 2HB GLU 18 2HB GLU 18 1.924 2.969 -7.512 126 1HG GLU 18 1HG GLU 18 4.711 2.909 -6.547 127 2HG GLU 18 2HG GLU 18 4.069 1.298 -6.796 128 H LYS 19 H LYS 19 0.072 3.965 -5.900 129 HA LYS 19 HA LYS 19 -0.658 5.682 -7.851 130 1HB LYS 19 1HB LYS 19 -2.047 5.098 -5.221 131 2HB LYS 19 2HB LYS 19 -2.804 5.930 -6.564 132 1HG LYS 19 1HG LYS 19 -1.537 3.161 -6.797 133 2HG LYS 19 2HG LYS 19 -3.240 3.420 -6.478 134 1HD LYS 19 1HD LYS 19 -2.480 5.061 -8.740 135 2HD LYS 19 2HD LYS 19 -1.889 3.435 -9.018 136 1HE LYS 19 1HE LYS 19 -4.297 2.676 -8.250 137 2HE LYS 19 2HE LYS 19 -4.750 4.342 -8.553 138 1HZ LYS 19 1HZ LYS 19 -3.518 2.517 -10.499 139 2HZ LYS 19 2HZ LYS 19 -5.067 3.032 -10.502 140 3HZ LYS 19 3HZ LYS 19 -3.855 4.088 -10.790 141 H CYS 20 H CYS 20 0.262 6.480 -4.467 142 HA CYS 20 HA CYS 20 -0.506 9.039 -4.272 143 1HB CYS 20 1HB CYS 20 0.924 7.536 -2.679 144 2HB CYS 20 2HB CYS 20 2.298 8.302 -3.451 145 HG CYS 20 HG CYS 20 0.777 10.752 -3.193 146 H GLY 21 H GLY 21 2.849 8.145 -5.378 147 1HA GLY 21 1HA GLY 21 3.503 10.599 -6.476 148 2HA GLY 21 2HA GLY 21 4.204 9.056 -6.921 149 H GLU 22 H GLU 22 1.983 7.694 -8.032 150 HA GLU 22 HA GLU 22 2.049 8.485 -10.598 151 1HB GLU 22 1HB GLU 22 0.721 6.512 -9.095 152 2HB GLU 22 2HB GLU 22 -0.576 7.354 -9.918 153 1HG GLU 22 1HG GLU 22 1.823 6.739 -11.597 154 2HG GLU 22 2HG GLU 22 0.907 5.346 -11.058 155 H ALA 23 H ALA 23 -0.211 9.569 -8.019 156 HA ALA 23 HA ALA 23 -2.058 10.899 -9.559 157 1HB ALA 23 1HB ALA 23 -2.042 10.450 -7.050 158 2HB ALA 23 2HB ALA 23 -0.965 11.858 -6.891 159 3HB ALA 23 3HB ALA 23 -2.610 12.065 -7.539 160 H LEU 24 H LEU 24 0.955 12.266 -8.041 161 HA LEU 24 HA LEU 24 0.677 14.704 -9.473 162 1HB LEU 24 1HB LEU 24 3.014 13.547 -7.946 163 2HB LEU 24 2HB LEU 24 2.899 15.194 -8.534 164 HG LEU 24 HG LEU 24 0.563 14.767 -7.006 165 1HD1 LEU 24 1HD1 LEU 24 1.224 12.960 -5.769 166 2HD1 LEU 24 2HD1 LEU 24 2.952 13.374 -5.871 167 3HD1 LEU 24 3HD1 LEU 24 1.884 14.278 -4.771 168 1HD2 LEU 24 1HD2 LEU 24 3.095 16.230 -6.216 169 2HD2 LEU 24 2HD2 LEU 24 1.845 16.869 -7.310 170 3HD2 LEU 24 3HD2 LEU 24 1.448 16.521 -5.610 171 H GLY 25 H GLY 25 1.714 11.539 -10.318 172 1HA GLY 25 1HA GLY 25 2.304 10.857 -12.427 173 2HA GLY 25 2HA GLY 25 2.639 12.512 -12.893 174 H LEU 26 H LEU 26 3.867 9.919 -10.664 175 HA LEU 26 HA LEU 26 6.572 10.784 -11.406 176 1HB LEU 26 1HB LEU 26 5.646 9.915 -8.664 177 2HB LEU 26 2HB LEU 26 7.300 10.268 -9.126 178 HG LEU 26 HG LEU 26 5.012 12.257 -9.105 179 1HD1 LEU 26 1HD1 LEU 26 6.938 13.110 -7.309 180 2HD1 LEU 26 2HD1 LEU 26 5.387 12.334 -6.910 181 3HD1 LEU 26 3HD1 LEU 26 6.866 11.352 -7.042 182 1HD2 LEU 26 1HD2 LEU 26 7.023 13.886 -9.313 183 2HD2 LEU 26 2HD2 LEU 26 7.882 12.473 -9.971 184 3HD2 LEU 26 3HD2 LEU 26 6.406 13.066 -10.768 185 H LYS 27 H LYS 27 8.215 8.976 -11.041 186 HA LYS 27 HA LYS 27 6.999 6.525 -12.037 187 1HB LYS 27 1HB LYS 27 9.670 7.830 -12.242 188 2HB LYS 27 2HB LYS 27 9.645 6.078 -12.239 189 1HG LYS 27 1HG LYS 27 8.031 6.060 -14.117 190 2HG LYS 27 2HG LYS 27 7.930 7.809 -14.082 191 1HD LYS 27 1HD LYS 27 9.884 8.064 -15.240 192 2HD LYS 27 2HD LYS 27 10.719 6.860 -14.279 193 1HE LYS 27 1HE LYS 27 8.721 6.180 -16.489 194 2HE LYS 27 2HE LYS 27 10.456 6.241 -16.730 195 1HZ LYS 27 1HZ LYS 27 10.765 4.414 -15.424 196 2HZ LYS 27 2HZ LYS 27 9.384 4.605 -14.574 197 3HZ LYS 27 3HZ LYS 27 9.329 4.041 -16.105 198 H GLN 28 H GLN 28 7.927 7.938 -9.093 199 HA GLN 28 HA GLN 28 8.480 5.296 -7.988 200 1HB GLN 28 1HB GLN 28 9.630 6.452 -6.136 201 2HB GLN 28 2HB GLN 28 10.333 6.900 -7.677 202 1HG GLN 28 1HG GLN 28 9.470 9.074 -7.610 203 2HG GLN 28 2HG GLN 28 8.087 8.615 -6.638 204 1HE2 GLN 28 1HE2 GLN 28 10.529 10.548 -6.512 205 2HE2 GLN 28 2HE2 GLN 28 11.065 10.438 -4.868 206 H ALA 29 H ALA 29 7.922 5.653 -5.317 207 HA ALA 29 HA ALA 29 5.044 6.183 -5.407 208 1HB ALA 29 1HB ALA 29 6.256 4.882 -3.032 209 2HB ALA 29 2HB ALA 29 4.813 4.432 -3.973 210 3HB ALA 29 3HB ALA 29 6.433 3.982 -4.557 211 H VAL 30 H VAL 30 4.176 6.997 -3.157 212 HA VAL 30 HA VAL 30 6.025 8.773 -1.826 213 HB VAL 30 HB VAL 30 3.545 9.900 -3.124 214 1HG1 VAL 30 1HG1 VAL 30 5.016 12.041 -2.712 215 2HG1 VAL 30 2HG1 VAL 30 4.073 11.326 -1.382 216 3HG1 VAL 30 3HG1 VAL 30 5.820 11.009 -1.506 217 1HG2 VAL 30 1HG2 VAL 30 5.024 9.205 -4.920 218 2HG2 VAL 30 2HG2 VAL 30 5.064 10.978 -4.767 219 3HG2 VAL 30 3HG2 VAL 30 6.408 9.999 -4.131 220 H LYS 31 H LYS 31 5.642 8.491 0.305 221 HA LYS 31 HA LYS 31 3.757 6.935 1.395 222 1HB LYS 31 1HB LYS 31 5.763 8.537 2.340 223 2HB LYS 31 2HB LYS 31 4.356 9.341 3.004 224 1HG LYS 31 1HG LYS 31 4.599 6.325 3.213 225 2HG LYS 31 2HG LYS 31 5.480 7.345 4.333 226 1HD LYS 31 1HD LYS 31 2.517 7.811 3.872 227 2HD LYS 31 2HD LYS 31 3.043 6.536 4.953 228 1HE LYS 31 1HE LYS 31 3.569 8.022 6.595 229 2HE LYS 31 2HE LYS 31 4.521 9.004 5.499 230 1HZ LYS 31 1HZ LYS 31 2.341 9.860 4.667 231 2HZ LYS 31 2HZ LYS 31 1.629 9.136 5.946 232 3HZ LYS 31 3HZ LYS 31 2.737 10.310 6.186 233 H VAL 32 H VAL 32 1.579 6.891 1.464 234 HA VAL 32 HA VAL 32 0.070 9.014 0.403 235 HB VAL 32 HB VAL 32 -0.627 6.515 1.945 236 1HG1 VAL 32 1HG1 VAL 32 -2.557 8.373 0.516 237 2HG1 VAL 32 2HG1 VAL 32 -2.954 6.862 1.369 238 3HG1 VAL 32 3HG1 VAL 32 -2.362 8.271 2.282 239 1HG2 VAL 32 1HG2 VAL 32 -0.139 5.590 -0.040 240 2HG2 VAL 32 2HG2 VAL 32 -1.654 6.325 -0.619 241 3HG2 VAL 32 3HG2 VAL 32 -0.105 7.167 -0.866 242 HA PRO 33 HA PRO 33 0.023 11.339 4.122 243 1HB PRO 33 1HB PRO 33 -0.994 13.638 3.050 244 2HB PRO 33 2HB PRO 33 0.718 13.264 3.067 245 1HG PRO 33 1HG PRO 33 -1.181 13.159 0.803 246 2HG PRO 33 2HG PRO 33 0.571 13.207 0.766 247 1HD PRO 33 1HD PRO 33 -1.092 10.912 0.329 248 2HD PRO 33 2HD PRO 33 0.658 10.938 0.407 249 H PHE 34 H PHE 34 -1.743 9.402 4.203 250 HA PHE 34 HA PHE 34 -4.332 9.761 3.859 251 1HB PHE 34 1HB PHE 34 -2.775 8.866 6.350 252 2HB PHE 34 2HB PHE 34 -4.507 8.631 6.227 253 HD1 PHE 34 1HD PHE 34 -5.395 7.202 4.323 254 HD2 PHE 34 2HD PHE 34 -1.282 7.344 5.356 255 HE1 PHE 34 1HE PHE 34 -5.016 5.037 3.110 256 HE2 PHE 34 2HE PHE 34 -0.902 5.180 4.143 257 HZ PHE 34 HZ PHE 34 -2.774 4.052 3.035 258 H ALA 35 H ALA 35 -2.346 11.507 6.278 259 HA ALA 35 HA ALA 35 -4.371 12.564 7.826 260 1HB ALA 35 1HB ALA 35 -1.765 12.643 8.018 261 2HB ALA 35 2HB ALA 35 -1.906 14.134 7.056 262 3HB ALA 35 3HB ALA 35 -2.715 14.015 8.636 263 H LEU 36 H LEU 36 -2.800 13.953 4.856 264 HA LEU 36 HA LEU 36 -4.295 16.247 4.705 265 1HB LEU 36 1HB LEU 36 -2.909 14.513 2.697 266 2HB LEU 36 2HB LEU 36 -3.882 15.862 2.145 267 HG LEU 36 HG LEU 36 -1.544 16.064 4.065 268 1HD1 LEU 36 1HD1 LEU 36 -0.157 16.604 2.341 269 2HD1 LEU 36 2HD1 LEU 36 -1.246 15.482 1.490 270 3HD1 LEU 36 3HD1 LEU 36 -1.473 17.240 1.325 271 1HD2 LEU 36 1HD2 LEU 36 -2.287 18.540 2.800 272 2HD2 LEU 36 2HD2 LEU 36 -3.689 17.842 3.646 273 3HD2 LEU 36 3HD2 LEU 36 -2.174 18.138 4.531 274 H PHE 37 H PHE 37 -5.114 12.899 3.712 275 HA PHE 37 HA PHE 37 -7.561 13.730 2.485 276 1HB PHE 37 1HB PHE 37 -6.372 11.048 3.415 277 2HB PHE 37 2HB PHE 37 -7.853 11.161 2.485 278 HD1 PHE 37 1HD PHE 37 -4.215 11.819 2.370 279 HD2 PHE 37 2HD PHE 37 -7.798 11.410 0.133 280 HE1 PHE 37 1HE PHE 37 -2.883 11.778 0.244 281 HE2 PHE 37 2HE PHE 37 -6.465 11.368 -1.994 282 HZ PHE 37 HZ PHE 37 -4.023 11.553 -1.913 283 H GLU 38 H GLU 38 -6.458 12.843 5.712 284 HA GLU 38 HA GLU 38 -9.059 12.111 6.603 285 1HB GLU 38 1HB GLU 38 -6.409 12.605 8.011 286 2HB GLU 38 2HB GLU 38 -7.873 12.240 8.902 287 1HG GLU 38 1HG GLU 38 -7.127 10.441 6.594 288 2HG GLU 38 2HG GLU 38 -6.212 10.297 8.081 289 H SER 39 H SER 39 -7.109 15.050 6.346 290 HA SER 39 HA SER 39 -8.959 16.445 8.079 291 1HB SER 39 1HB SER 39 -6.209 16.982 7.001 292 2HB SER 39 2HB SER 39 -7.219 18.379 7.317 293 HG SER 39 HG SER 39 -6.141 16.467 9.136 294 H PHE 40 H PHE 40 -7.791 16.247 4.687 295 HA PHE 40 HA PHE 40 -10.080 17.917 3.931 296 1HB PHE 40 1HB PHE 40 -7.340 17.755 2.554 297 2HB PHE 40 2HB PHE 40 -8.605 18.918 2.212 298 HD1 PHE 40 1HD PHE 40 -5.521 18.644 3.633 299 HD2 PHE 40 2HD PHE 40 -9.365 20.187 4.552 300 HE1 PHE 40 1HE PHE 40 -4.487 20.248 5.262 301 HE2 PHE 40 2HE PHE 40 -8.331 21.792 6.182 302 HZ PHE 40 HZ PHE 40 -5.904 21.803 6.518 303 HA PRO 41 HA PRO 41 -10.171 13.923 1.767 304 1HB PRO 41 1HB PRO 41 -12.691 13.154 2.493 305 2HB PRO 41 2HB PRO 41 -11.249 12.643 3.348 306 1HG PRO 41 1HG PRO 41 -13.265 14.652 4.149 307 2HG PRO 41 2HG PRO 41 -12.080 13.828 5.144 308 1HD PRO 41 1HD PRO 41 -11.941 16.530 4.192 309 2HD PRO 41 2HD PRO 41 -10.705 15.670 5.088 310 H GLU 42 H GLU 42 -12.352 16.592 1.958 311 HA GLU 42 HA GLU 42 -13.779 15.912 -0.350 312 1HB GLU 42 1HB GLU 42 -14.596 18.251 -0.250 313 2HB GLU 42 2HB GLU 42 -14.658 17.483 1.324 314 1HG GLU 42 1HG GLU 42 -12.274 18.526 1.692 315 2HG GLU 42 2HG GLU 42 -12.665 19.546 0.321 316 H ASP 43 H ASP 43 -10.601 17.256 0.217 317 HA ASP 43 HA ASP 43 -10.507 18.282 -2.489 318 1HB ASP 43 1HB ASP 43 -8.637 18.485 -0.093 319 2HB ASP 43 2HB ASP 43 -8.143 19.011 -1.690 320 H PHE 44 H PHE 44 -9.146 15.842 -0.226 321 HA PHE 44 HA PHE 44 -7.764 14.617 -2.510 322 1HB PHE 44 1HB PHE 44 -7.147 14.491 0.502 323 2HB PHE 44 2HB PHE 44 -6.154 13.796 -0.763 324 HD1 PHE 44 1HD PHE 44 -6.355 16.439 1.423 325 HD2 PHE 44 2HD PHE 44 -5.532 15.656 -2.666 326 HE1 PHE 44 1HE PHE 44 -5.044 18.575 1.278 327 HE2 PHE 44 2HE PHE 44 -4.221 17.792 -2.811 328 HZ PHE 44 HZ PHE 44 -3.993 19.226 -0.837 329 H TYR 45 H TYR 45 -8.633 12.700 -3.128 330 HA TYR 45 HA TYR 45 -9.426 10.785 -1.154 331 1HB TYR 45 1HB TYR 45 -11.801 10.722 -2.082 332 2HB TYR 45 2HB TYR 45 -11.451 12.243 -1.285 333 HD1 TYR 45 1HD TYR 45 -12.001 10.601 -4.537 334 HD2 TYR 45 2HD TYR 45 -11.279 14.319 -2.547 335 HE1 TYR 45 1HE TYR 45 -12.661 11.864 -6.642 336 HE2 TYR 45 2HE TYR 45 -11.942 15.570 -4.659 337 HH TYR 45 HH TYR 45 -12.485 13.876 -7.661 338 H VAL 46 H VAL 46 -9.871 8.671 -2.107 339 HA VAL 46 HA VAL 46 -8.717 8.493 -4.793 340 HB VAL 46 HB VAL 46 -8.832 6.658 -2.416 341 1HG1 VAL 46 1HG1 VAL 46 -8.086 5.841 -5.245 342 2HG1 VAL 46 2HG1 VAL 46 -7.932 4.838 -3.783 343 3HG1 VAL 46 3HG1 VAL 46 -9.543 5.325 -4.363 344 1HG2 VAL 46 1HG2 VAL 46 -6.892 7.914 -2.286 345 2HG2 VAL 46 2HG2 VAL 46 -6.327 6.486 -3.187 346 3HG2 VAL 46 3HG2 VAL 46 -6.696 7.997 -4.053 347 H GLU 47 H GLU 47 -9.756 7.255 -6.429 348 HA GLU 47 HA GLU 47 -12.485 6.495 -5.752 349 1HB GLU 47 1HB GLU 47 -11.602 7.945 -8.287 350 2HB GLU 47 2HB GLU 47 -13.224 7.361 -7.973 351 1HG GLU 47 1HG GLU 47 -12.318 8.960 -5.713 352 2HG GLU 47 2HG GLU 47 -12.091 9.868 -7.195 353 H GLY 48 H GLY 48 -13.281 4.611 -6.807 354 1HA GLY 48 1HA GLY 48 -12.997 3.089 -8.704 355 2HA GLY 48 2HA GLY 48 -11.268 3.171 -8.430 356 H LEU 49 H LEU 49 -11.924 3.310 -5.361 357 HA LEU 49 HA LEU 49 -11.349 0.718 -4.737 358 1HB LEU 49 1HB LEU 49 -12.812 2.831 -3.154 359 2HB LEU 49 2HB LEU 49 -12.275 1.308 -2.473 360 HG LEU 49 HG LEU 49 -10.323 3.151 -3.841 361 1HD1 LEU 49 1HD1 LEU 49 -11.807 4.178 -1.881 362 2HD1 LEU 49 2HD1 LEU 49 -10.614 3.314 -0.881 363 3HD1 LEU 49 3HD1 LEU 49 -10.073 4.536 -2.056 364 1HD2 LEU 49 1HD2 LEU 49 -9.521 0.919 -3.401 365 2HD2 LEU 49 2HD2 LEU 49 -8.725 2.061 -2.291 366 3HD2 LEU 49 3HD2 LEU 49 -10.046 1.023 -1.703 367 HA PRO 50 HA PRO 50 -15.014 -1.498 -5.265 368 1HB PRO 50 1HB PRO 50 -14.639 -3.594 -3.552 369 2HB PRO 50 2HB PRO 50 -13.903 -3.511 -5.140 370 1HG PRO 50 1HG PRO 50 -12.654 -3.088 -2.494 371 2HG PRO 50 2HG PRO 50 -11.882 -3.428 -4.031 372 1HD PRO 50 1HD PRO 50 -12.029 -0.886 -2.710 373 2HD PRO 50 2HD PRO 50 -11.361 -1.205 -4.299 374 H GLU 51 H GLU 51 -17.093 -2.147 -4.431 375 HA GLU 51 HA GLU 51 -18.018 -0.276 -2.653 376 1HB GLU 51 1HB GLU 51 -19.052 -2.604 -4.074 377 2HB GLU 51 2HB GLU 51 -19.754 -2.517 -2.470 378 1HG GLU 51 1HG GLU 51 -20.296 -0.065 -2.921 379 2HG GLU 51 2HG GLU 51 -19.747 -0.298 -4.569 380 H GLY 52 H GLY 52 -18.490 -0.276 -0.411 381 1HA GLY 52 1HA GLY 52 -18.341 -0.894 1.750 382 2HA GLY 52 2HA GLY 52 -18.211 -2.564 1.235 383 H VAL 53 H VAL 53 -15.876 -0.579 -0.344 384 HA VAL 53 HA VAL 53 -13.885 -1.199 1.722 385 HB VAL 53 HB VAL 53 -13.553 -1.532 -1.266 386 1HG1 VAL 53 1HG1 VAL 53 -11.671 -1.378 0.956 387 2HG1 VAL 53 2HG1 VAL 53 -11.532 -2.916 0.071 388 3HG1 VAL 53 3HG1 VAL 53 -11.371 -1.371 -0.799 389 1HG2 VAL 53 1HG2 VAL 53 -13.339 -3.886 0.522 390 2HG2 VAL 53 2HG2 VAL 53 -14.977 -3.219 0.318 391 3HG2 VAL 53 3HG2 VAL 53 -14.042 -3.737 -1.106 392 HA PRO 54 HA PRO 54 -13.562 3.147 0.863 393 1HB PRO 54 1HB PRO 54 -12.768 3.894 3.369 394 2HB PRO 54 2HB PRO 54 -14.449 3.825 2.877 395 1HG PRO 54 1HG PRO 54 -12.943 1.954 4.601 396 2HG PRO 54 2HG PRO 54 -14.678 2.146 4.442 397 1HD PRO 54 1HD PRO 54 -13.073 0.054 3.314 398 2HD PRO 54 2HD PRO 54 -14.788 0.312 3.060 399 H PHE 55 H PHE 55 -11.664 4.810 1.707 400 HA PHE 55 HA PHE 55 -9.321 3.452 0.638 401 1HB PHE 55 1HB PHE 55 -10.196 5.637 -0.313 402 2HB PHE 55 2HB PHE 55 -10.025 6.384 1.263 403 HD1 PHE 55 1HD PHE 55 -7.849 4.368 -1.021 404 HD2 PHE 55 2HD PHE 55 -8.226 7.795 1.454 405 HE1 PHE 55 1HE PHE 55 -5.500 5.041 -1.595 406 HE2 PHE 55 2HE PHE 55 -5.877 8.468 0.880 407 HZ PHE 55 HZ PHE 55 -4.542 7.083 -0.638 408 H ARG 56 H ARG 56 -10.064 2.718 3.311 409 HA ARG 56 HA ARG 56 -8.586 4.321 5.105 410 1HB ARG 56 1HB ARG 56 -10.135 1.744 5.226 411 2HB ARG 56 2HB ARG 56 -8.941 1.992 6.484 412 1HG ARG 56 1HG ARG 56 -10.725 4.327 5.885 413 2HG ARG 56 2HG ARG 56 -11.496 2.943 6.633 414 1HD ARG 56 1HD ARG 56 -9.844 2.984 8.487 415 2HD ARG 56 2HD ARG 56 -8.985 4.306 7.722 416 HE ARG 56 HE ARG 56 -11.768 5.002 8.072 417 1HH1 ARG 56 2HH2 ARG 56 -8.756 4.646 9.857 418 2HH1 ARG 56 1HH2 ARG 56 -9.202 5.780 11.087 419 1HH2 ARG 56 2HH1 ARG 56 -12.357 6.498 9.696 420 2HH2 ARG 56 1HH1 ARG 56 -11.265 6.841 10.995 421 H ARG 57 H ARG 57 -7.034 2.743 6.687 422 HA ARG 57 HA ARG 57 -4.760 2.397 5.168 423 1HB ARG 57 1HB ARG 57 -5.525 1.394 7.951 424 2HB ARG 57 2HB ARG 57 -3.914 1.184 7.293 425 1HG ARG 57 1HG ARG 57 -3.383 3.423 7.493 426 2HG ARG 57 2HG ARG 57 -5.001 3.958 7.085 427 1HD ARG 57 1HD ARG 57 -5.797 3.263 9.364 428 2HD ARG 57 2HD ARG 57 -4.171 2.752 9.771 429 HE ARG 57 HE ARG 57 -3.613 4.985 10.150 430 1HH1 ARG 57 2HH2 ARG 57 -6.441 4.873 8.060 431 2HH1 ARG 57 1HH2 ARG 57 -6.670 6.590 8.063 432 1HH2 ARG 57 2HH1 ARG 57 -3.914 7.250 10.154 433 2HH2 ARG 57 1HH1 ARG 57 -5.223 7.951 9.262 434 HA PRO 58 HA PRO 58 -5.175 -1.715 3.775 435 1HB PRO 58 1HB PRO 58 -2.567 -2.443 3.403 436 2HB PRO 58 2HB PRO 58 -3.461 -1.464 2.258 437 1HG PRO 58 1HG PRO 58 -1.376 -0.629 4.180 438 2HG PRO 58 2HG PRO 58 -1.966 0.218 2.764 439 1HD PRO 58 1HD PRO 58 -2.613 0.790 5.499 440 2HD PRO 58 2HD PRO 58 -3.291 1.560 4.079 441 H SER 59 H SER 59 -2.671 -1.415 6.242 442 HA SER 59 HA SER 59 -2.998 -4.102 7.012 443 1HB SER 59 1HB SER 59 -1.365 -3.640 8.672 444 2HB SER 59 2HB SER 59 -0.940 -2.587 7.338 445 HG SER 59 HG SER 59 -2.569 -1.074 8.694 446 H THR 60 H THR 60 -5.550 -3.534 7.001 447 HA THR 60 HA THR 60 -6.314 -3.558 9.768 448 HB THR 60 HB THR 60 -6.427 -1.085 8.166 449 HG1 THR 60 1HG THR 60 -5.880 -0.700 10.277 450 1HG2 THR 60 1HG2 THR 60 -8.821 -1.804 7.843 451 2HG2 THR 60 2HG2 THR 60 -8.959 -2.047 9.601 452 3HG2 THR 60 3HG2 THR 60 -8.687 -0.414 8.947 453 H PHE 61 H PHE 61 -7.386 -3.279 6.329 454 HA PHE 61 HA PHE 61 -9.891 -4.345 6.644 455 1HB PHE 61 1HB PHE 61 -7.745 -4.599 4.458 456 2HB PHE 61 2HB PHE 61 -9.397 -5.124 4.199 457 HD1 PHE 61 1HD PHE 61 -7.525 -2.807 2.979 458 HD2 PHE 61 2HD PHE 61 -10.871 -2.930 5.586 459 HE1 PHE 61 1HE PHE 61 -8.156 -0.480 2.280 460 HE2 PHE 61 2HE PHE 61 -11.501 -0.603 4.887 461 HZ PHE 61 HZ PHE 61 -10.136 0.594 3.242 462 H GLY 62 H GLY 62 -10.476 -6.601 5.462 463 1HA GLY 62 1HA GLY 62 -9.294 -8.628 7.160 464 2HA GLY 62 2HA GLY 62 -10.672 -8.791 6.089 465 H ILE 63 H ILE 63 -9.224 -10.917 5.823 466 HA ILE 63 HA ILE 63 -6.919 -10.669 4.205 467 HB ILE 63 HB ILE 63 -8.713 -12.923 5.041 468 1HG1 ILE 63 1HG1 ILE 63 -5.762 -12.768 5.518 469 2HG1 ILE 63 2HG1 ILE 63 -6.809 -11.707 6.439 470 1HG2 ILE 63 1HG2 ILE 63 -7.244 -14.503 3.899 471 2HG2 ILE 63 2HG2 ILE 63 -8.045 -13.417 2.739 472 3HG2 ILE 63 3HG2 ILE 63 -6.339 -13.154 3.172 473 1HD1 ILE 63 1HD1 ILE 63 -7.692 -13.426 7.670 474 2HD1 ILE 63 2HD1 ILE 63 -7.771 -14.518 6.267 475 3HD1 ILE 63 3HD1 ILE 63 -6.235 -14.303 7.141 476 HA PRO 64 HA PRO 64 -10.069 -11.545 0.778 477 1HB PRO 64 1HB PRO 64 -12.728 -11.156 1.274 478 2HB PRO 64 2HB PRO 64 -11.958 -12.728 1.355 479 1HG PRO 64 1HG PRO 64 -12.837 -10.979 3.570 480 2HG PRO 64 2HG PRO 64 -12.469 -12.692 3.604 481 1HD PRO 64 1HD PRO 64 -10.805 -10.560 4.560 482 2HD PRO 64 2HD PRO 64 -10.390 -12.261 4.487 483 H ARG 65 H ARG 65 -11.497 -9.053 2.840 484 HA ARG 65 HA ARG 65 -12.204 -7.331 0.924 485 1HB ARG 65 1HB ARG 65 -11.495 -7.177 3.765 486 2HB ARG 65 2HB ARG 65 -11.036 -5.698 2.945 487 1HG ARG 65 1HG ARG 65 -13.490 -5.960 1.860 488 2HG ARG 65 2HG ARG 65 -13.779 -6.895 3.313 489 1HD ARG 65 1HD ARG 65 -12.349 -4.442 3.993 490 2HD ARG 65 2HD ARG 65 -13.778 -4.053 3.056 491 HE ARG 65 HE ARG 65 -14.701 -5.914 4.901 492 1HH1 ARG 65 2HH2 ARG 65 -12.981 -2.853 5.143 493 2HH1 ARG 65 1HH2 ARG 65 -13.647 -2.456 6.692 494 1HH2 ARG 65 2HH1 ARG 65 -15.579 -5.390 6.945 495 2HH2 ARG 65 1HH1 ARG 65 -15.134 -3.908 7.724 496 H LEU 66 H LEU 66 -8.917 -8.002 2.178 497 HA LEU 66 HA LEU 66 -7.621 -5.791 1.081 498 1HB LEU 66 1HB LEU 66 -6.849 -8.478 2.090 499 2HB LEU 66 2HB LEU 66 -5.682 -7.631 1.095 500 HG LEU 66 HG LEU 66 -6.955 -6.282 3.472 501 1HD1 LEU 66 1HD1 LEU 66 -5.546 -8.640 3.727 502 2HD1 LEU 66 2HD1 LEU 66 -4.298 -7.395 3.973 503 3HD1 LEU 66 3HD1 LEU 66 -5.761 -7.401 4.987 504 1HD2 LEU 66 1HD2 LEU 66 -5.175 -4.773 3.365 505 2HD2 LEU 66 2HD2 LEU 66 -4.187 -5.858 2.357 506 3HD2 LEU 66 3HD2 LEU 66 -5.612 -5.049 1.662 507 H GLU 67 H GLU 67 -7.948 -9.174 -0.213 508 HA GLU 67 HA GLU 67 -6.694 -8.738 -2.576 509 1HB GLU 67 1HB GLU 67 -8.820 -10.627 -1.622 510 2HB GLU 67 2HB GLU 67 -8.560 -10.545 -3.353 511 1HG GLU 67 1HG GLU 67 -5.959 -10.617 -2.168 512 2HG GLU 67 2HG GLU 67 -6.911 -11.818 -1.318 513 H LYS 68 H LYS 68 -10.163 -8.170 -1.729 514 HA LYS 68 HA LYS 68 -11.205 -7.594 -4.154 515 1HB LYS 68 1HB LYS 68 -11.753 -6.011 -1.628 516 2HB LYS 68 2HB LYS 68 -12.830 -6.231 -2.993 517 1HG LYS 68 1HG LYS 68 -12.372 -8.842 -2.440 518 2HG LYS 68 2HG LYS 68 -12.060 -8.191 -0.843 519 1HD LYS 68 1HD LYS 68 -14.291 -8.069 -0.472 520 2HD LYS 68 2HD LYS 68 -14.430 -6.892 -1.762 521 1HE LYS 68 1HE LYS 68 -14.331 -9.080 -3.318 522 2HE LYS 68 2HE LYS 68 -14.885 -9.876 -1.858 523 1HZ LYS 68 1HZ LYS 68 -16.818 -9.221 -2.841 524 2HZ LYS 68 2HZ LYS 68 -16.575 -7.963 -1.829 525 3HZ LYS 68 3HZ LYS 68 -16.221 -7.814 -3.416 526 H ILE 69 H ILE 69 -9.341 -5.328 -2.025 527 HA ILE 69 HA ILE 69 -9.507 -3.115 -3.659 528 HB ILE 69 HB ILE 69 -7.505 -4.077 -1.644 529 1HG1 ILE 69 1HG1 ILE 69 -8.920 -1.524 -1.277 530 2HG1 ILE 69 2HG1 ILE 69 -9.990 -2.906 -1.413 531 1HG2 ILE 69 1HG2 ILE 69 -6.485 -1.784 -1.759 532 2HG2 ILE 69 2HG2 ILE 69 -6.127 -2.842 -3.145 533 3HG2 ILE 69 3HG2 ILE 69 -7.342 -1.551 -3.302 534 1HD1 ILE 69 1HD1 ILE 69 -9.485 -2.795 0.906 535 2HD1 ILE 69 2HD1 ILE 69 -8.408 -4.076 0.298 536 3HD1 ILE 69 3HD1 ILE 69 -7.767 -2.444 0.603 537 H LEU 70 H LEU 70 -6.782 -5.522 -3.501 538 HA LEU 70 HA LEU 70 -5.291 -4.595 -5.551 539 1HB LEU 70 1HB LEU 70 -5.713 -7.157 -4.214 540 2HB LEU 70 2HB LEU 70 -5.162 -7.338 -5.867 541 HG LEU 70 HG LEU 70 -3.777 -5.927 -3.585 542 1HD1 LEU 70 1HD1 LEU 70 -2.279 -7.803 -5.268 543 2HD1 LEU 70 2HD1 LEU 70 -2.412 -7.695 -3.496 544 3HD1 LEU 70 3HD1 LEU 70 -3.668 -8.538 -4.433 545 1HD2 LEU 70 1HD2 LEU 70 -1.968 -5.537 -5.436 546 2HD2 LEU 70 2HD2 LEU 70 -3.366 -5.594 -6.536 547 3HD2 LEU 70 3HD2 LEU 70 -3.311 -4.386 -5.230 548 H ARG 71 H ARG 71 -7.967 -7.035 -5.884 549 HA ARG 71 HA ARG 71 -7.955 -7.435 -8.477 550 1HB ARG 71 1HB ARG 71 -10.218 -7.053 -6.516 551 2HB ARG 71 2HB ARG 71 -10.639 -7.219 -8.209 552 1HG ARG 71 1HG ARG 71 -9.301 -9.353 -8.307 553 2HG ARG 71 2HG ARG 71 -8.957 -9.195 -6.596 554 1HD ARG 71 1HD ARG 71 -11.350 -9.361 -6.040 555 2HD ARG 71 2HD ARG 71 -11.789 -9.328 -7.736 556 HE ARG 71 HE ARG 71 -9.991 -11.482 -7.449 557 1HH1 ARG 71 2HH2 ARG 71 -13.155 -10.577 -6.203 558 2HH1 ARG 71 1HH2 ARG 71 -13.686 -12.214 -6.003 559 1HH2 ARG 71 2HH1 ARG 71 -10.691 -13.642 -7.186 560 2HH2 ARG 71 1HH1 ARG 71 -12.275 -13.969 -6.566 561 H ASN 72 H ASN 72 -8.927 -4.416 -6.839 562 HA ASN 72 HA ASN 72 -9.448 -3.276 -9.471 563 1HB ASN 72 1HB ASN 72 -10.536 -2.602 -6.702 564 2HB ASN 72 2HB ASN 72 -10.623 -1.434 -8.005 565 1HD2 ASN 72 1HD2 ASN 72 -12.914 -2.218 -6.924 566 2HD2 ASN 72 2HD2 ASN 72 -13.818 -3.268 -7.963 567 H LYS 73 H LYS 73 -6.803 -3.454 -8.961 568 HA LYS 73 HA LYS 73 -5.935 -1.157 -7.419 569 1HB LYS 73 1HB LYS 73 -3.725 -2.059 -7.661 570 2HB LYS 73 2HB LYS 73 -4.807 -3.357 -7.196 571 1HG LYS 73 1HG LYS 73 -4.696 -4.400 -9.283 572 2HG LYS 73 2HG LYS 73 -4.411 -2.900 -10.144 573 1HD LYS 73 1HD LYS 73 -2.116 -2.939 -9.758 574 2HD LYS 73 2HD LYS 73 -2.275 -3.753 -8.214 575 1HE LYS 73 1HE LYS 73 -2.672 -5.899 -9.281 576 2HE LYS 73 2HE LYS 73 -2.879 -5.155 -10.854 577 1HZ LYS 73 1HZ LYS 73 -0.733 -5.592 -11.079 578 2HZ LYS 73 2HZ LYS 73 -0.451 -4.307 -10.111 579 3HZ LYS 73 3HZ LYS 73 -0.475 -5.813 -9.481 580 H ALA 74 H ALA 74 -6.932 -1.912 -10.612 581 HA ALA 74 HA ALA 74 -5.258 0.195 -11.753 582 1HB ALA 74 1HB ALA 74 -7.000 -1.011 -13.674 583 2HB ALA 74 2HB ALA 74 -5.235 -1.186 -13.522 584 3HB ALA 74 3HB ALA 74 -6.317 -2.314 -12.671 585 H LYS 75 H LYS 75 -8.581 -0.666 -10.813 586 HA LYS 75 HA LYS 75 -9.783 1.503 -12.206 587 1HB LYS 75 1HB LYS 75 -10.858 -0.157 -9.907 588 2HB LYS 75 2HB LYS 75 -11.793 0.865 -10.980 589 1HG LYS 75 1HG LYS 75 -10.045 -1.342 -12.118 590 2HG LYS 75 2HG LYS 75 -11.631 -1.720 -11.476 591 1HD LYS 75 1HD LYS 75 -11.387 0.576 -13.424 592 2HD LYS 75 2HD LYS 75 -11.294 -1.057 -14.052 593 1HE LYS 75 1HE LYS 75 -13.576 -0.991 -14.089 594 2HE LYS 75 2HE LYS 75 -13.483 -1.251 -12.359 595 1HZ LYS 75 1HZ LYS 75 -13.445 1.147 -12.076 596 2HZ LYS 75 2HZ LYS 75 -13.579 1.368 -13.689 597 3HZ LYS 75 3HZ LYS 75 -14.797 0.666 -12.857 598 H ILE 76 H ILE 76 -8.180 1.035 -9.084 599 HA ILE 76 HA ILE 76 -9.272 3.238 -7.759 600 HB ILE 76 HB ILE 76 -6.781 1.600 -7.487 601 1HG1 ILE 76 1HG1 ILE 76 -9.001 2.078 -5.493 602 2HG1 ILE 76 2HG1 ILE 76 -9.127 0.865 -6.752 603 1HG2 ILE 76 1HG2 ILE 76 -6.601 2.990 -5.236 604 2HG2 ILE 76 2HG2 ILE 76 -5.780 3.503 -6.730 605 3HG2 ILE 76 3HG2 ILE 76 -7.318 4.264 -6.253 606 1HD1 ILE 76 1HD1 ILE 76 -8.243 -0.067 -4.601 607 2HD1 ILE 76 2HD1 ILE 76 -7.093 -0.261 -5.945 608 3HD1 ILE 76 3HD1 ILE 76 -6.839 1.019 -4.735 609 H LYS 77 H LYS 77 -8.500 5.392 -7.468 610 HA LYS 77 HA LYS 77 -6.323 6.263 -9.151 611 1HB LYS 77 1HB LYS 77 -8.680 6.232 -10.413 612 2HB LYS 77 2HB LYS 77 -8.876 7.757 -9.572 613 1HG LYS 77 1HG LYS 77 -7.106 8.782 -10.707 614 2HG LYS 77 2HG LYS 77 -6.242 7.277 -10.950 615 1HD LYS 77 1HD LYS 77 -7.662 6.613 -12.763 616 2HD LYS 77 2HD LYS 77 -8.902 7.774 -12.334 617 1HE LYS 77 1HE LYS 77 -7.212 9.631 -12.860 618 2HE LYS 77 2HE LYS 77 -6.146 8.392 -13.492 619 1HZ LYS 77 1HZ LYS 77 -7.827 9.584 -15.020 620 2HZ LYS 77 2HZ LYS 77 -7.533 7.991 -15.227 621 3HZ LYS 77 3HZ LYS 77 -8.886 8.477 -14.453 622 H PHE 78 H PHE 78 -5.479 8.318 -8.494 623 HA PHE 78 HA PHE 78 -6.417 9.048 -5.822 624 1HB PHE 78 1HB PHE 78 -3.834 9.077 -7.412 625 2HB PHE 78 2HB PHE 78 -4.019 10.332 -6.203 626 HD1 PHE 78 1HD PHE 78 -5.237 6.831 -5.986 627 HD2 PHE 78 2HD PHE 78 -2.425 9.695 -4.608 628 HE1 PHE 78 1HE PHE 78 -4.477 5.230 -4.209 629 HE2 PHE 78 2HE PHE 78 -1.665 8.094 -2.831 630 HZ PHE 78 HZ PHE 78 -2.700 5.880 -2.652 631 H ILE 79 H ILE 79 -7.392 10.993 -5.465 632 HA ILE 79 HA ILE 79 -7.321 12.898 -7.695 633 HB ILE 79 HB ILE 79 -9.355 12.669 -5.477 634 1HG1 ILE 79 1HG1 ILE 79 -9.651 10.667 -6.636 635 2HG1 ILE 79 2HG1 ILE 79 -10.807 11.752 -7.383 636 1HG2 ILE 79 1HG2 ILE 79 -9.991 14.675 -6.185 637 2HG2 ILE 79 2HG2 ILE 79 -8.844 14.633 -7.545 638 3HG2 ILE 79 3HG2 ILE 79 -10.461 13.911 -7.723 639 1HD1 ILE 79 1HD1 ILE 79 -8.271 10.608 -8.502 640 2HD1 ILE 79 2HD1 ILE 79 -9.828 10.924 -9.306 641 3HD1 ILE 79 3HD1 ILE 79 -8.696 12.263 -8.999 642 H ILE 80 H ILE 80 -6.481 14.925 -7.403 643 HA ILE 80 HA ILE 80 -5.949 15.763 -4.659 644 HB ILE 80 HB ILE 80 -3.832 15.901 -6.797 645 1HG1 ILE 80 1HG1 ILE 80 -4.508 13.680 -4.911 646 2HG1 ILE 80 2HG1 ILE 80 -3.917 13.612 -6.560 647 1HG2 ILE 80 1HG2 ILE 80 -2.381 16.617 -5.115 648 2HG2 ILE 80 2HG2 ILE 80 -3.893 17.493 -4.777 649 3HG2 ILE 80 3HG2 ILE 80 -3.458 16.062 -3.811 650 1HD1 ILE 80 1HD1 ILE 80 -1.735 14.718 -5.566 651 2HD1 ILE 80 2HD1 ILE 80 -2.366 14.120 -4.012 652 3HD1 ILE 80 3HD1 ILE 80 -2.017 12.976 -5.330 653 H LYS 81 H LYS 81 -7.059 17.629 -4.458 654 HA LYS 81 HA LYS 81 -7.339 19.288 -6.844 655 1HB LYS 81 1HB LYS 81 -8.815 19.339 -4.195 656 2HB LYS 81 2HB LYS 81 -9.126 20.411 -5.545 657 1HG LYS 81 1HG LYS 81 -10.000 18.687 -6.900 658 2HG LYS 81 2HG LYS 81 -9.142 17.427 -6.035 659 1HD LYS 81 1HD LYS 81 -10.797 17.197 -4.468 660 2HD LYS 81 2HD LYS 81 -11.024 18.927 -4.310 661 1HE LYS 81 1HE LYS 81 -11.921 17.991 -6.944 662 2HE LYS 81 2HE LYS 81 -12.726 17.111 -5.660 663 1HZ LYS 81 1HZ LYS 81 -14.010 18.888 -5.531 664 2HZ LYS 81 2HZ LYS 81 -12.771 19.663 -4.803 665 3HZ LYS 81 3HZ LYS 81 -13.007 19.831 -6.410 666 H LYS 82 H LYS 82 -5.404 18.924 -4.049 667 HA LYS 82 HA LYS 82 -4.412 21.638 -4.437 668 1HB LYS 82 1HB LYS 82 -5.252 20.467 -1.773 669 2HB LYS 82 2HB LYS 82 -4.202 21.860 -1.928 670 1HG LYS 82 1HG LYS 82 -6.221 22.628 -3.607 671 2HG LYS 82 2HG LYS 82 -7.132 21.614 -2.506 672 1HD LYS 82 1HD LYS 82 -6.735 23.000 -0.664 673 2HD LYS 82 2HD LYS 82 -5.204 23.581 -1.289 674 1HE LYS 82 1HE LYS 82 -7.148 24.440 -3.179 675 2HE LYS 82 2HE LYS 82 -7.880 24.723 -1.612 676 1HZ LYS 82 1HZ LYS 82 -5.560 25.949 -2.778 677 2HZ LYS 82 2HZ LYS 82 -6.650 26.566 -1.730 678 3HZ LYS 82 3HZ LYS 82 -5.438 25.618 -1.183 679 HA PRO 83 HA PRO 83 -1.127 18.580 -4.439 680 1HB PRO 83 1HB PRO 83 0.173 19.491 -6.664 681 2HB PRO 83 2HB PRO 83 -1.038 18.226 -6.713 682 1HG PRO 83 1HG PRO 83 -1.277 21.052 -7.544 683 2HG PRO 83 2HG PRO 83 -2.300 19.694 -7.966 684 1HD PRO 83 1HD PRO 83 -2.885 21.757 -6.061 685 2HD PRO 83 2HD PRO 83 -3.855 20.337 -6.399 686 H GLU 84 H GLU 84 -1.380 21.885 -4.079 687 HA GLU 84 HA GLU 84 1.395 22.355 -3.768 688 1HB GLU 84 1HB GLU 84 0.541 24.558 -2.758 689 2HB GLU 84 2HB GLU 84 0.093 24.237 -4.421 690 1HG GLU 84 1HG GLU 84 -2.148 23.681 -3.851 691 2HG GLU 84 2HG GLU 84 -1.746 23.355 -2.177 692 H MET 85 H MET 85 -1.124 20.972 -1.818 693 HA MET 85 HA MET 85 0.253 21.627 0.634 694 1HB MET 85 1HB MET 85 -2.324 20.086 0.001 695 2HB MET 85 2HB MET 85 -1.734 20.330 1.633 696 1HG MET 85 1HG MET 85 -1.928 22.769 1.407 697 2HG MET 85 2HG MET 85 -2.311 22.628 -0.297 698 1HE MET 85 1HE MET 85 -3.102 21.666 3.193 699 2HE MET 85 2HE MET 85 -4.876 21.608 3.314 700 3HE MET 85 3HE MET 85 -3.981 20.206 2.680 701 H PHE 86 H PHE 86 0.491 19.316 -1.815 702 HA PHE 86 HA PHE 86 1.035 17.087 -0.052 703 1HB PHE 86 1HB PHE 86 0.434 17.669 -2.884 704 2HB PHE 86 2HB PHE 86 1.836 16.623 -2.775 705 HD1 PHE 86 1HD PHE 86 -1.665 16.926 -1.544 706 HD2 PHE 86 2HD PHE 86 1.547 14.330 -2.520 707 HE1 PHE 86 1HE PHE 86 -3.170 14.942 -1.221 708 HE2 PHE 86 2HE PHE 86 0.042 12.347 -2.197 709 HZ PHE 86 HZ PHE 86 -2.298 12.677 -1.552 710 H GLU 87 H GLU 87 2.744 19.522 -2.037 711 HA GLU 87 HA GLU 87 5.144 18.472 -2.399 712 1HB GLU 87 1HB GLU 87 4.060 21.132 -2.092 713 2HB GLU 87 2HB GLU 87 5.626 21.086 -1.307 714 1HG GLU 87 1HG GLU 87 5.789 19.646 -3.828 715 2HG GLU 87 2HG GLU 87 5.075 21.220 -4.115 716 H THR 88 H THR 88 3.967 19.899 0.718 717 HA THR 88 HA THR 88 6.262 19.682 2.202 718 HB THR 88 HB THR 88 3.302 19.343 2.890 719 HG1 THR 88 1HG THR 88 4.146 21.411 2.056 720 1HG2 THR 88 1HG2 THR 88 5.757 19.212 4.614 721 2HG2 THR 88 2HG2 THR 88 4.474 20.318 5.163 722 3HG2 THR 88 3HG2 THR 88 4.120 18.589 4.932 723 H ALA 89 H ALA 89 3.775 17.119 1.621 724 HA ALA 89 HA ALA 89 5.149 15.208 3.181 725 1HB ALA 89 1HB ALA 89 3.470 14.122 1.048 726 2HB ALA 89 2HB ALA 89 3.250 14.053 2.813 727 3HB ALA 89 3HB ALA 89 2.670 15.466 1.899 728 H ILE 90 H ILE 90 4.953 15.865 -0.382 729 HA ILE 90 HA ILE 90 6.537 13.789 -1.229 730 HB ILE 90 HB ILE 90 6.104 16.571 -2.295 731 1HG1 ILE 90 1HG1 ILE 90 5.117 14.139 -3.682 732 2HG1 ILE 90 2HG1 ILE 90 4.365 14.497 -2.140 733 1HG2 ILE 90 1HG2 ILE 90 7.784 14.336 -3.411 734 2HG2 ILE 90 2HG2 ILE 90 6.982 15.513 -4.477 735 3HG2 ILE 90 3HG2 ILE 90 8.160 16.070 -3.265 736 1HD1 ILE 90 1HD1 ILE 90 3.905 16.836 -2.918 737 2HD1 ILE 90 2HD1 ILE 90 4.615 16.423 -4.497 738 3HD1 ILE 90 3HD1 ILE 90 3.128 15.612 -3.950 739 H LYS 91 H LYS 91 7.412 16.831 0.388 740 HA LYS 91 HA LYS 91 10.222 16.395 -0.145 741 1HB LYS 91 1HB LYS 91 9.889 18.642 -0.194 742 2HB LYS 91 2HB LYS 91 8.529 18.590 0.910 743 1HG LYS 91 1HG LYS 91 9.910 18.548 2.833 744 2HG LYS 91 2HG LYS 91 11.293 17.928 1.953 745 1HD LYS 91 1HD LYS 91 11.454 20.127 0.721 746 2HD LYS 91 2HD LYS 91 10.127 20.740 1.687 747 1HE LYS 91 1HE LYS 91 11.565 21.285 3.353 748 2HE LYS 91 2HE LYS 91 12.048 19.608 3.508 749 1HZ LYS 91 1HZ LYS 91 13.853 19.943 2.234 750 2HZ LYS 91 2HZ LYS 91 13.159 21.074 1.282 751 3HZ LYS 91 3HZ LYS 91 13.703 21.479 2.767 752 H GLU 92 H GLU 92 7.860 16.204 2.568 753 HA GLU 92 HA GLU 92 9.978 15.230 4.268 754 1HB GLU 92 1HB GLU 92 7.095 16.052 4.729 755 2HB GLU 92 2HB GLU 92 7.974 15.162 5.956 756 1HG GLU 92 1HG GLU 92 9.210 17.639 4.714 757 2HG GLU 92 2HG GLU 92 8.013 17.805 5.983 758 H SER 93 H SER 93 9.484 13.547 2.061 759 HA SER 93 HA SER 93 7.644 11.533 2.883 760 1HB SER 93 1HB SER 93 8.268 10.405 0.821 761 2HB SER 93 2HB SER 93 8.062 12.111 0.479 762 HG SER 93 HG SER 93 10.513 12.211 0.891 763 H SER 94 H SER 94 8.171 10.125 4.515 764 HA SER 94 HA SER 94 10.989 9.449 4.777 765 1HB SER 94 1HB SER 94 10.623 9.088 7.085 766 2HB SER 94 2HB SER 94 9.649 10.500 6.726 767 HG SER 94 HG SER 94 7.863 8.785 6.333 768 H GLY 95 H GLY 95 11.624 7.212 4.960 769 1HA GLY 95 1HA GLY 95 10.916 4.912 5.230 770 2HA GLY 95 2HA GLY 95 9.499 5.274 4.265 771 HA PRO 96 HA PRO 96 13.377 4.552 1.611 772 1HB PRO 96 1HB PRO 96 14.554 2.167 2.240 773 2HB PRO 96 2HB PRO 96 15.171 3.713 2.786 774 1HG PRO 96 1HG PRO 96 13.693 1.662 4.318 775 2HG PRO 96 2HG PRO 96 14.672 2.987 4.917 776 1HD PRO 96 1HD PRO 96 11.807 2.864 4.851 777 2HD PRO 96 2HD PRO 96 12.786 4.232 5.341 778 H SER 97 H SER 97 13.323 3.569 -0.409 779 HA SER 97 HA SER 97 11.190 1.580 -0.509 780 1HB SER 97 1HB SER 97 11.134 4.044 -1.695 781 2HB SER 97 2HB SER 97 11.874 3.113 -2.982 782 HG SER 97 HG SER 97 9.712 2.862 -3.368 783 H SER 98 H SER 98 11.411 0.035 -2.454 784 HA SER 98 HA SER 98 12.549 -1.579 -3.369 785 1HB SER 98 1HB SER 98 14.027 0.898 -4.190 786 2HB SER 98 2HB SER 98 14.806 -0.631 -4.545 787 HG SER 98 HG SER 98 12.095 0.060 -5.306 788 H GLY 99 H GLY 99 13.009 -2.590 -1.258 789 1HA GLY 99 1HA GLY 99 14.391 -3.611 0.191 790 2HA GLY 99 2HA GLY 99 15.713 -3.253 -0.902 Start of MODEL 3 1 1H GLY 1 H GLY 1 4.106 -13.321 18.249 2 1HA GLY 1 1HA GLY 1 3.133 -14.694 16.011 3 2HA GLY 1 2HA GLY 1 2.277 -14.397 17.511 4 H SER 2 H SER 2 0.282 -14.092 16.294 5 HA SER 2 HA SER 2 -1.279 -12.861 15.423 6 1HB SER 2 1HB SER 2 0.635 -10.793 16.376 7 2HB SER 2 2HB SER 2 -0.472 -10.235 15.138 8 HG SER 2 HG SER 2 -1.002 -11.094 17.794 9 H SER 3 H SER 3 -0.919 -14.072 13.404 10 HA SER 3 HA SER 3 0.656 -12.656 11.434 11 1HB SER 3 1HB SER 3 -0.749 -15.346 11.152 12 2HB SER 3 2HB SER 3 0.486 -14.691 10.095 13 HG SER 3 HG SER 3 1.181 -14.892 12.837 14 H GLY 4 H GLY 4 -0.304 -12.339 9.205 15 1HA GLY 4 1HA GLY 4 -3.235 -12.239 9.158 16 2HA GLY 4 2HA GLY 4 -2.348 -10.743 8.943 17 H SER 5 H SER 5 -3.258 -10.588 6.762 18 HA SER 5 HA SER 5 -2.892 -12.594 4.884 19 1HB SER 5 1HB SER 5 -4.224 -11.190 3.726 20 2HB SER 5 2HB SER 5 -4.043 -9.995 4.995 21 HG SER 5 HG SER 5 -2.280 -9.064 3.908 22 H SER 6 H SER 6 -1.043 -9.526 5.516 23 HA SER 6 HA SER 6 1.038 -8.996 5.181 24 1HB SER 6 1HB SER 6 1.182 -11.908 5.357 25 2HB SER 6 2HB SER 6 2.405 -11.304 4.256 26 HG SER 6 HG SER 6 2.119 -10.895 7.052 27 H GLY 7 H GLY 7 0.457 -11.658 2.755 28 1HA GLY 7 1HA GLY 7 1.815 -10.726 0.622 29 2HA GLY 7 2HA GLY 7 0.282 -11.566 0.502 30 H LEU 8 H LEU 8 -1.760 -10.149 0.849 31 HA LEU 8 HA LEU 8 -1.805 -8.163 -1.056 32 1HB LEU 8 1HB LEU 8 -3.653 -8.568 1.300 33 2HB LEU 8 2HB LEU 8 -4.000 -7.589 -0.112 34 HG LEU 8 HG LEU 8 -5.114 -9.489 -0.685 35 1HD1 LEU 8 1HD1 LEU 8 -4.018 -10.570 -2.439 36 2HD1 LEU 8 2HD1 LEU 8 -3.175 -9.008 -2.306 37 3HD1 LEU 8 3HD1 LEU 8 -2.432 -10.481 -1.636 38 1HD2 LEU 8 1HD2 LEU 8 -3.213 -11.581 0.137 39 2HD2 LEU 8 2HD2 LEU 8 -3.873 -10.608 1.473 40 3HD2 LEU 8 3HD2 LEU 8 -4.974 -11.464 0.367 41 H LYS 9 H LYS 9 -1.539 -7.878 2.546 42 HA LYS 9 HA LYS 9 -1.643 -5.239 2.907 43 1HB LYS 9 1HB LYS 9 0.073 -7.375 4.127 44 2HB LYS 9 2HB LYS 9 0.346 -5.707 4.587 45 1HG LYS 9 1HG LYS 9 -2.168 -5.525 5.060 46 2HG LYS 9 2HG LYS 9 -2.273 -7.257 4.811 47 1HD LYS 9 1HD LYS 9 -0.290 -7.346 6.585 48 2HD LYS 9 2HD LYS 9 -0.855 -5.745 7.019 49 1HE LYS 9 1HE LYS 9 -3.227 -6.802 7.181 50 2HE LYS 9 2HE LYS 9 -2.422 -8.356 7.112 51 1HZ LYS 9 1HZ LYS 9 -1.931 -6.258 9.109 52 2HZ LYS 9 2HZ LYS 9 -2.708 -7.672 9.363 53 3HZ LYS 9 3HZ LYS 9 -1.110 -7.667 9.027 54 H GLN 10 H GLN 10 1.421 -6.967 1.975 55 HA GLN 10 HA GLN 10 2.886 -4.682 1.608 56 1HB GLN 10 1HB GLN 10 3.270 -7.451 1.313 57 2HB GLN 10 2HB GLN 10 3.595 -6.815 -0.287 58 1HG GLN 10 1HG GLN 10 4.882 -4.984 1.416 59 2HG GLN 10 2HG GLN 10 5.166 -6.529 2.192 60 1HE2 GLN 10 1HE2 GLN 10 5.332 -4.824 -0.904 61 2HE2 GLN 10 2HE2 GLN 10 6.671 -5.694 -1.574 62 H LYS 11 H LYS 11 0.884 -6.562 -0.749 63 HA LYS 11 HA LYS 11 1.531 -5.030 -2.985 64 1HB LYS 11 1HB LYS 11 -0.799 -6.806 -2.264 65 2HB LYS 11 2HB LYS 11 -0.748 -5.953 -3.793 66 1HG LYS 11 1HG LYS 11 0.577 -7.595 -4.619 67 2HG LYS 11 2HG LYS 11 1.836 -7.096 -3.507 68 1HD LYS 11 1HD LYS 11 1.561 -8.960 -2.240 69 2HD LYS 11 2HD LYS 11 -0.158 -8.663 -2.073 70 1HE LYS 11 1HE LYS 11 -0.356 -10.596 -3.299 71 2HE LYS 11 2HE LYS 11 -0.106 -9.530 -4.667 72 1HZ LYS 11 1HZ LYS 11 1.452 -11.618 -4.010 73 2HZ LYS 11 2HZ LYS 11 1.874 -10.414 -5.030 74 3HZ LYS 11 3HZ LYS 11 2.330 -10.354 -3.463 75 H VAL 12 H VAL 12 -1.640 -4.948 -1.214 76 HA VAL 12 HA VAL 12 -2.591 -2.649 -2.262 77 HB VAL 12 HB VAL 12 -2.831 -3.478 0.635 78 1HG1 VAL 12 1HG1 VAL 12 -5.063 -2.461 0.493 79 2HG1 VAL 12 2HG1 VAL 12 -3.788 -1.274 0.126 80 3HG1 VAL 12 3HG1 VAL 12 -4.746 -1.988 -1.193 81 1HG2 VAL 12 1HG2 VAL 12 -3.675 -5.412 -0.101 82 2HG2 VAL 12 2HG2 VAL 12 -5.029 -4.477 -0.780 83 3HG2 VAL 12 3HG2 VAL 12 -3.621 -4.868 -1.795 84 H GLU 13 H GLU 13 -0.118 -3.032 0.306 85 HA GLU 13 HA GLU 13 -0.078 -0.408 1.137 86 1HB GLU 13 1HB GLU 13 1.882 -2.693 1.170 87 2HB GLU 13 2HB GLU 13 2.479 -1.099 1.587 88 1HG GLU 13 1HG GLU 13 -0.088 -2.037 2.873 89 2HG GLU 13 2HG GLU 13 1.419 -2.727 3.441 90 H ASN 14 H ASN 14 2.150 -2.057 -1.229 91 HA ASN 14 HA ASN 14 3.444 0.247 -1.980 92 1HB ASN 14 1HB ASN 14 3.250 -2.534 -2.881 93 2HB ASN 14 2HB ASN 14 3.337 -1.467 -4.269 94 1HD2 ASN 14 1HD2 ASN 14 5.055 -3.108 -1.938 95 2HD2 ASN 14 2HD2 ASN 14 6.598 -2.333 -2.072 96 H LEU 15 H LEU 15 0.406 -1.321 -3.079 97 HA LEU 15 HA LEU 15 -0.033 -0.094 -5.469 98 1HB LEU 15 1HB LEU 15 -1.590 -1.663 -4.985 99 2HB LEU 15 2HB LEU 15 -1.722 -1.197 -3.301 100 HG LEU 15 HG LEU 15 -2.999 0.849 -4.050 101 1HD1 LEU 15 1HD1 LEU 15 -2.463 -0.391 -6.688 102 2HD1 LEU 15 2HD1 LEU 15 -4.107 0.239 -6.430 103 3HD1 LEU 15 3HD1 LEU 15 -2.702 1.315 -6.239 104 1HD2 LEU 15 1HD2 LEU 15 -4.955 -0.247 -3.772 105 2HD2 LEU 15 2HD2 LEU 15 -4.585 -1.463 -5.018 106 3HD2 LEU 15 3HD2 LEU 15 -3.874 -1.609 -3.393 107 H PHE 16 H PHE 16 -1.489 1.123 -2.369 108 HA PHE 16 HA PHE 16 -2.294 3.536 -3.264 109 1HB PHE 16 1HB PHE 16 -0.902 2.812 -0.615 110 2HB PHE 16 2HB PHE 16 -1.935 4.211 -0.827 111 HD1 PHE 16 1HD PHE 16 -2.213 1.838 1.139 112 HD2 PHE 16 2HD PHE 16 -3.984 2.698 -2.620 113 HE1 PHE 16 1HE PHE 16 -4.213 0.457 1.765 114 HE2 PHE 16 2HE PHE 16 -5.984 1.317 -1.994 115 HZ PHE 16 HZ PHE 16 -6.075 0.212 0.191 116 H ASN 17 H ASN 17 0.870 3.011 -1.536 117 HA ASN 17 HA ASN 17 1.928 5.408 -1.723 118 1HB ASN 17 1HB ASN 17 3.128 2.654 -2.093 119 2HB ASN 17 2HB ASN 17 4.171 4.037 -2.355 120 1HD2 ASN 17 1HD2 ASN 17 5.065 5.022 -0.687 121 2HD2 ASN 17 2HD2 ASN 17 4.688 4.770 0.985 122 H GLU 18 H GLU 18 2.476 2.852 -4.278 123 HA GLU 18 HA GLU 18 3.713 4.375 -6.111 124 1HB GLU 18 1HB GLU 18 2.133 1.889 -6.125 125 2HB GLU 18 2HB GLU 18 2.068 2.721 -7.666 126 1HG GLU 18 1HG GLU 18 4.794 2.716 -6.554 127 2HG GLU 18 2HG GLU 18 4.168 1.089 -6.729 128 H LYS 19 H LYS 19 0.123 3.848 -5.865 129 HA LYS 19 HA LYS 19 -0.646 5.418 -7.967 130 1HB LYS 19 1HB LYS 19 -2.004 4.921 -5.304 131 2HB LYS 19 2HB LYS 19 -2.784 5.696 -6.667 132 1HG LYS 19 1HG LYS 19 -1.565 2.894 -6.679 133 2HG LYS 19 2HG LYS 19 -3.278 3.258 -6.605 134 1HD LYS 19 1HD LYS 19 -2.428 4.721 -8.838 135 2HD LYS 19 2HD LYS 19 -1.456 3.265 -8.934 136 1HE LYS 19 1HE LYS 19 -3.874 2.136 -8.350 137 2HE LYS 19 2HE LYS 19 -4.431 3.584 -9.165 138 1HZ LYS 19 1HZ LYS 19 -2.382 2.650 -10.694 139 2HZ LYS 19 2HZ LYS 19 -3.203 1.305 -10.266 140 3HZ LYS 19 3HZ LYS 19 -3.977 2.526 -11.027 141 H CYS 20 H CYS 20 -0.193 6.442 -4.510 142 HA CYS 20 HA CYS 20 -0.834 9.027 -4.678 143 1HB CYS 20 1HB CYS 20 -0.102 8.015 -2.603 144 2HB CYS 20 2HB CYS 20 1.530 7.816 -3.211 145 HG CYS 20 HG CYS 20 0.010 10.738 -3.259 146 H GLY 21 H GLY 21 2.583 7.836 -5.145 147 1HA GLY 21 1HA GLY 21 3.752 10.082 -6.109 148 2HA GLY 21 2HA GLY 21 4.169 8.460 -6.626 149 H GLU 22 H GLU 22 1.756 7.699 -7.971 150 HA GLU 22 HA GLU 22 2.233 8.939 -10.430 151 1HB GLU 22 1HB GLU 22 0.956 6.605 -9.507 152 2HB GLU 22 2HB GLU 22 -0.334 7.521 -10.260 153 1HG GLU 22 1HG GLU 22 2.303 7.291 -11.719 154 2HG GLU 22 2HG GLU 22 1.238 5.899 -11.700 155 H ALA 23 H ALA 23 -0.180 9.397 -7.835 156 HA ALA 23 HA ALA 23 -2.041 10.889 -9.260 157 1HB ALA 23 1HB ALA 23 -3.022 11.121 -7.214 158 2HB ALA 23 2HB ALA 23 -1.812 9.910 -6.728 159 3HB ALA 23 3HB ALA 23 -1.509 11.639 -6.431 160 H LEU 24 H LEU 24 0.947 11.867 -7.469 161 HA LEU 24 HA LEU 24 0.562 14.623 -8.035 162 1HB LEU 24 1HB LEU 24 2.900 13.012 -7.017 163 2HB LEU 24 2HB LEU 24 2.961 14.749 -7.243 164 HG LEU 24 HG LEU 24 2.534 14.378 -4.949 165 1HD1 LEU 24 1HD1 LEU 24 -0.173 15.011 -6.147 166 2HD1 LEU 24 2HD1 LEU 24 0.465 15.521 -4.566 167 3HD1 LEU 24 3HD1 LEU 24 1.184 16.159 -6.064 168 1HD2 LEU 24 1HD2 LEU 24 0.732 12.985 -4.076 169 2HD2 LEU 24 2HD2 LEU 24 0.253 12.542 -5.732 170 3HD2 LEU 24 3HD2 LEU 24 1.836 12.033 -5.097 171 H GLY 25 H GLY 25 1.531 11.912 -9.908 172 1HA GLY 25 1HA GLY 25 1.889 12.018 -12.193 173 2HA GLY 25 2HA GLY 25 2.354 13.703 -12.065 174 H LEU 26 H LEU 26 3.638 11.247 -9.821 175 HA LEU 26 HA LEU 26 6.281 11.755 -10.946 176 1HB LEU 26 1HB LEU 26 5.451 10.515 -8.318 177 2HB LEU 26 2HB LEU 26 7.099 10.827 -8.828 178 HG LEU 26 HG LEU 26 5.002 12.981 -8.451 179 1HD1 LEU 26 1HD1 LEU 26 7.004 13.212 -6.483 180 2HD1 LEU 26 2HD1 LEU 26 5.290 12.787 -6.261 181 3HD1 LEU 26 3HD1 LEU 26 6.503 11.504 -6.487 182 1HD2 LEU 26 1HD2 LEU 26 6.858 13.488 -10.041 183 2HD2 LEU 26 2HD2 LEU 26 6.801 14.555 -8.617 184 3HD2 LEU 26 3HD2 LEU 26 8.007 13.249 -8.703 185 H LYS 27 H LYS 27 7.820 9.771 -10.858 186 HA LYS 27 HA LYS 27 6.341 7.530 -12.038 187 1HB LYS 27 1HB LYS 27 8.441 9.055 -13.060 188 2HB LYS 27 2HB LYS 27 9.221 7.583 -12.518 189 1HG LYS 27 1HG LYS 27 6.651 7.105 -13.925 190 2HG LYS 27 2HG LYS 27 7.856 7.891 -14.926 191 1HD LYS 27 1HD LYS 27 9.348 5.913 -13.634 192 2HD LYS 27 2HD LYS 27 7.801 5.123 -13.870 193 1HE LYS 27 1HE LYS 27 9.173 6.619 -16.140 194 2HE LYS 27 2HE LYS 27 9.562 4.947 -15.787 195 1HZ LYS 27 1HZ LYS 27 7.594 4.268 -16.551 196 2HZ LYS 27 2HZ LYS 27 6.757 5.538 -15.955 197 3HZ LYS 27 3HZ LYS 27 7.579 5.688 -17.358 198 H GLN 28 H GLN 28 7.260 8.408 -9.097 199 HA GLN 28 HA GLN 28 8.267 5.737 -8.501 200 1HB GLN 28 1HB GLN 28 9.553 6.764 -6.597 201 2HB GLN 28 2HB GLN 28 10.125 7.260 -8.178 202 1HG GLN 28 1HG GLN 28 9.413 9.446 -7.913 203 2HG GLN 28 2HG GLN 28 7.992 8.990 -6.995 204 1HE2 GLN 28 1HE2 GLN 28 9.432 11.107 -6.193 205 2HE2 GLN 28 2HE2 GLN 28 10.300 10.785 -4.729 206 H ALA 29 H ALA 29 8.057 5.595 -5.799 207 HA ALA 29 HA ALA 29 5.193 5.835 -5.424 208 1HB ALA 29 1HB ALA 29 5.434 4.074 -3.991 209 2HB ALA 29 2HB ALA 29 6.973 3.858 -4.859 210 3HB ALA 29 3HB ALA 29 6.945 4.709 -3.297 211 H VAL 30 H VAL 30 4.300 6.757 -3.402 212 HA VAL 30 HA VAL 30 6.053 8.553 -1.964 213 HB VAL 30 HB VAL 30 3.645 9.587 -3.472 214 1HG1 VAL 30 1HG1 VAL 30 3.838 10.935 -1.581 215 2HG1 VAL 30 2HG1 VAL 30 5.614 10.826 -1.556 216 3HG1 VAL 30 3HG1 VAL 30 4.801 11.817 -2.791 217 1HG2 VAL 30 1HG2 VAL 30 5.327 9.145 -5.108 218 2HG2 VAL 30 2HG2 VAL 30 5.375 10.893 -4.776 219 3HG2 VAL 30 3HG2 VAL 30 6.608 9.819 -4.072 220 H LYS 31 H LYS 31 5.536 8.409 0.158 221 HA LYS 31 HA LYS 31 3.704 6.747 1.193 222 1HB LYS 31 1HB LYS 31 5.530 8.516 2.194 223 2HB LYS 31 2HB LYS 31 4.034 9.249 2.735 224 1HG LYS 31 1HG LYS 31 3.463 6.677 3.375 225 2HG LYS 31 2HG LYS 31 5.211 6.576 3.455 226 1HD LYS 31 1HD LYS 31 4.558 7.189 5.662 227 2HD LYS 31 2HD LYS 31 5.130 8.685 4.950 228 1HE LYS 31 1HE LYS 31 2.980 9.600 4.781 229 2HE LYS 31 2HE LYS 31 2.204 8.036 4.634 230 1HZ LYS 31 1HZ LYS 31 2.174 9.408 6.847 231 2HZ LYS 31 2HZ LYS 31 2.163 7.775 6.853 232 3HZ LYS 31 3HZ LYS 31 3.555 8.583 7.127 233 H VAL 32 H VAL 32 1.617 7.152 2.374 234 HA VAL 32 HA VAL 32 -0.019 8.982 0.765 235 HB VAL 32 HB VAL 32 -0.613 6.383 2.174 236 1HG1 VAL 32 1HG1 VAL 32 -2.427 8.619 1.531 237 2HG1 VAL 32 2HG1 VAL 32 -2.954 7.036 0.909 238 3HG1 VAL 32 3HG1 VAL 32 -2.639 7.250 2.648 239 1HG2 VAL 32 1HG2 VAL 32 0.070 5.717 0.109 240 2HG2 VAL 32 2HG2 VAL 32 -1.613 6.113 -0.312 241 3HG2 VAL 32 3HG2 VAL 32 -0.313 7.282 -0.647 242 HA PRO 33 HA PRO 33 -0.175 11.112 4.617 243 1HB PRO 33 1HB PRO 33 -1.028 13.506 3.612 244 2HB PRO 33 2HB PRO 33 0.664 13.066 3.734 245 1HG PRO 33 1HG PRO 33 -1.057 13.164 1.332 246 2HG PRO 33 2HG PRO 33 0.693 13.148 1.429 247 1HD PRO 33 1HD PRO 33 -1.008 10.946 0.732 248 2HD PRO 33 2HD PRO 33 0.731 10.901 0.942 249 H PHE 34 H PHE 34 -1.915 9.339 4.828 250 HA PHE 34 HA PHE 34 -4.487 9.681 4.198 251 1HB PHE 34 1HB PHE 34 -3.107 8.852 6.811 252 2HB PHE 34 2HB PHE 34 -4.837 8.659 6.608 253 HD1 PHE 34 1HD PHE 34 -5.682 7.155 4.763 254 HD2 PHE 34 2HD PHE 34 -1.596 7.281 5.904 255 HE1 PHE 34 1HE PHE 34 -5.303 4.936 3.653 256 HE2 PHE 34 2HE PHE 34 -1.218 5.061 4.794 257 HZ PHE 34 HZ PHE 34 -3.076 3.916 3.682 258 H ALA 35 H ALA 35 -2.609 11.670 6.445 259 HA ALA 35 HA ALA 35 -4.792 12.767 7.848 260 1HB ALA 35 1HB ALA 35 -3.115 13.732 9.003 261 2HB ALA 35 2HB ALA 35 -1.992 12.867 7.927 262 3HB ALA 35 3HB ALA 35 -2.483 14.534 7.545 263 H LEU 36 H LEU 36 -2.832 13.950 5.025 264 HA LEU 36 HA LEU 36 -4.140 16.310 4.610 265 1HB LEU 36 1HB LEU 36 -2.674 14.378 2.876 266 2HB LEU 36 2HB LEU 36 -3.562 15.674 2.101 267 HG LEU 36 HG LEU 36 -1.396 16.038 4.190 268 1HD1 LEU 36 1HD1 LEU 36 0.077 16.680 2.457 269 2HD1 LEU 36 2HD1 LEU 36 -0.678 15.159 1.924 270 3HD1 LEU 36 3HD1 LEU 36 -1.230 16.710 1.249 271 1HD2 LEU 36 1HD2 LEU 36 -3.334 17.898 2.946 272 2HD2 LEU 36 2HD2 LEU 36 -2.487 17.984 4.509 273 3HD2 LEU 36 3HD2 LEU 36 -1.645 18.457 3.014 274 H PHE 37 H PHE 37 -5.268 13.006 4.087 275 HA PHE 37 HA PHE 37 -7.459 13.873 2.429 276 1HB PHE 37 1HB PHE 37 -6.496 11.280 3.755 277 2HB PHE 37 2HB PHE 37 -8.031 11.331 2.912 278 HD1 PHE 37 1HD PHE 37 -4.383 11.619 2.497 279 HD2 PHE 37 2HD PHE 37 -8.129 11.335 0.524 280 HE1 PHE 37 1HE PHE 37 -3.206 11.168 0.327 281 HE2 PHE 37 2HE PHE 37 -6.951 10.883 -1.646 282 HZ PHE 37 HZ PHE 37 -4.504 10.805 -1.719 283 H GLU 38 H GLU 38 -6.758 13.279 5.844 284 HA GLU 38 HA GLU 38 -9.534 13.059 6.500 285 1HB GLU 38 1HB GLU 38 -8.815 12.367 8.575 286 2HB GLU 38 2HB GLU 38 -7.342 12.043 7.683 287 1HG GLU 38 1HG GLU 38 -6.442 14.278 8.333 288 2HG GLU 38 2HG GLU 38 -7.923 14.630 9.202 289 H SER 39 H SER 39 -6.848 15.454 6.870 290 HA SER 39 HA SER 39 -8.471 17.311 8.213 291 1HB SER 39 1HB SER 39 -5.796 17.519 6.781 292 2HB SER 39 2HB SER 39 -6.543 18.907 7.547 293 HG SER 39 HG SER 39 -4.955 17.537 8.844 294 H PHE 40 H PHE 40 -7.632 16.641 4.799 295 HA PHE 40 HA PHE 40 -9.623 18.647 4.035 296 1HB PHE 40 1HB PHE 40 -6.990 17.998 2.587 297 2HB PHE 40 2HB PHE 40 -8.094 19.298 2.185 298 HD1 PHE 40 1HD PHE 40 -5.058 18.620 3.661 299 HD2 PHE 40 2HD PHE 40 -8.568 20.910 4.329 300 HE1 PHE 40 1HE PHE 40 -3.760 20.180 5.138 301 HE2 PHE 40 2HE PHE 40 -7.269 22.470 5.806 302 HZ PHE 40 HZ PHE 40 -4.881 22.086 6.193 303 HA PRO 41 HA PRO 41 -10.409 14.605 2.112 304 1HB PRO 41 1HB PRO 41 -12.972 14.254 2.993 305 2HB PRO 41 2HB PRO 41 -11.576 13.578 3.810 306 1HG PRO 41 1HG PRO 41 -13.233 15.900 4.586 307 2HG PRO 41 2HG PRO 41 -12.130 14.960 5.572 308 1HD PRO 41 1HD PRO 41 -11.650 17.562 4.463 309 2HD PRO 41 2HD PRO 41 -10.507 16.573 5.350 310 H GLU 42 H GLU 42 -11.917 17.657 2.136 311 HA GLU 42 HA GLU 42 -13.497 16.993 -0.166 312 1HB GLU 42 1HB GLU 42 -13.630 18.936 1.904 313 2HB GLU 42 2HB GLU 42 -13.354 19.844 0.431 314 1HG GLU 42 1HG GLU 42 -15.269 18.648 -0.660 315 2HG GLU 42 2HG GLU 42 -15.549 17.754 0.820 316 H ASP 43 H ASP 43 -10.833 16.481 -0.734 317 HA ASP 43 HA ASP 43 -10.457 18.133 -2.954 318 1HB ASP 43 1HB ASP 43 -9.067 18.870 -0.467 319 2HB ASP 43 2HB ASP 43 -7.928 18.512 -1.750 320 H PHE 44 H PHE 44 -8.951 15.997 -0.446 321 HA PHE 44 HA PHE 44 -7.607 14.540 -2.608 322 1HB PHE 44 1HB PHE 44 -7.142 14.611 0.434 323 2HB PHE 44 2HB PHE 44 -6.111 13.789 -0.720 324 HD1 PHE 44 1HD PHE 44 -5.197 15.389 -2.661 325 HD2 PHE 44 2HD PHE 44 -6.471 16.687 1.173 326 HE1 PHE 44 1HE PHE 44 -3.811 17.467 -2.904 327 HE2 PHE 44 2HE PHE 44 -5.085 18.766 0.929 328 HZ PHE 44 HZ PHE 44 -3.772 19.131 -1.106 329 H TYR 45 H TYR 45 -8.311 12.509 -3.084 330 HA TYR 45 HA TYR 45 -9.227 10.727 -1.097 331 1HB TYR 45 1HB TYR 45 -11.614 10.680 -1.926 332 2HB TYR 45 2HB TYR 45 -11.220 12.260 -1.278 333 HD1 TYR 45 1HD TYR 45 -11.655 14.168 -2.553 334 HD2 TYR 45 2HD TYR 45 -11.292 10.389 -4.525 335 HE1 TYR 45 1HE TYR 45 -12.363 15.237 -4.748 336 HE2 TYR 45 2HE TYR 45 -12.001 11.471 -6.714 337 HH TYR 45 HH TYR 45 -13.109 13.316 -7.531 338 H VAL 46 H VAL 46 -9.741 8.596 -1.998 339 HA VAL 46 HA VAL 46 -8.618 8.333 -4.692 340 HB VAL 46 HB VAL 46 -8.880 6.347 -2.426 341 1HG1 VAL 46 1HG1 VAL 46 -7.281 5.958 -4.961 342 2HG1 VAL 46 2HG1 VAL 46 -7.774 4.749 -3.751 343 3HG1 VAL 46 3HG1 VAL 46 -8.987 5.464 -4.841 344 1HG2 VAL 46 1HG2 VAL 46 -6.868 8.348 -3.084 345 2HG2 VAL 46 2HG2 VAL 46 -7.038 7.334 -1.631 346 3HG2 VAL 46 3HG2 VAL 46 -6.183 6.705 -3.060 347 H GLU 47 H GLU 47 -9.703 7.083 -6.283 348 HA GLU 47 HA GLU 47 -12.435 6.387 -5.542 349 1HB GLU 47 1HB GLU 47 -11.652 7.561 -8.240 350 2HB GLU 47 2HB GLU 47 -13.272 7.274 -7.636 351 1HG GLU 47 1HG GLU 47 -11.986 8.906 -5.676 352 2HG GLU 47 2HG GLU 47 -11.552 9.592 -7.229 353 H GLY 48 H GLY 48 -13.434 4.890 -7.367 354 1HA GLY 48 1HA GLY 48 -13.129 3.201 -8.934 355 2HA GLY 48 2HA GLY 48 -11.403 3.202 -8.629 356 H LEU 49 H LEU 49 -11.882 3.280 -5.603 357 HA LEU 49 HA LEU 49 -11.493 0.701 -4.979 358 1HB LEU 49 1HB LEU 49 -12.794 2.951 -3.483 359 2HB LEU 49 2HB LEU 49 -12.668 1.363 -2.753 360 HG LEU 49 HG LEU 49 -10.281 2.885 -3.825 361 1HD1 LEU 49 1HD1 LEU 49 -10.465 2.747 -0.927 362 2HD1 LEU 49 2HD1 LEU 49 -10.154 4.139 -1.992 363 3HD1 LEU 49 3HD1 LEU 49 -11.827 3.644 -1.639 364 1HD2 LEU 49 1HD2 LEU 49 -9.083 1.325 -2.206 365 2HD2 LEU 49 2HD2 LEU 49 -10.600 0.396 -2.147 366 3HD2 LEU 49 3HD2 LEU 49 -9.741 0.599 -3.692 367 HA PRO 50 HA PRO 50 -15.184 -1.441 -5.617 368 1HB PRO 50 1HB PRO 50 -14.906 -3.547 -3.898 369 2HB PRO 50 2HB PRO 50 -14.119 -3.476 -5.462 370 1HG PRO 50 1HG PRO 50 -12.945 -3.084 -2.777 371 2HG PRO 50 2HG PRO 50 -12.133 -3.437 -4.290 372 1HD PRO 50 1HD PRO 50 -12.270 -0.895 -2.968 373 2HD PRO 50 2HD PRO 50 -11.558 -1.224 -4.535 374 H GLU 51 H GLU 51 -17.264 -1.059 -5.185 375 HA GLU 51 HA GLU 51 -18.049 0.467 -3.176 376 1HB GLU 51 1HB GLU 51 -19.312 -1.225 -5.083 377 2HB GLU 51 2HB GLU 51 -20.073 -1.596 -3.548 378 1HG GLU 51 1HG GLU 51 -20.014 1.133 -3.371 379 2HG GLU 51 2HG GLU 51 -20.094 0.960 -5.113 380 H GLY 52 H GLY 52 -18.404 0.361 -0.970 381 1HA GLY 52 1HA GLY 52 -18.875 -0.663 1.041 382 2HA GLY 52 2HA GLY 52 -18.626 -2.241 0.322 383 H VAL 53 H VAL 53 -16.038 -0.660 -0.894 384 HA VAL 53 HA VAL 53 -14.401 -1.245 1.477 385 HB VAL 53 HB VAL 53 -13.699 -1.509 -1.454 386 1HG1 VAL 53 1HG1 VAL 53 -11.642 -1.130 -0.509 387 2HG1 VAL 53 2HG1 VAL 53 -12.128 -1.766 1.081 388 3HG1 VAL 53 3HG1 VAL 53 -11.770 -2.887 -0.254 389 1HG2 VAL 53 1HG2 VAL 53 -15.272 -3.219 0.061 390 2HG2 VAL 53 2HG2 VAL 53 -14.379 -3.645 -1.419 391 3HG2 VAL 53 3HG2 VAL 53 -13.648 -3.940 0.177 392 HA PRO 54 HA PRO 54 -13.675 3.070 0.989 393 1HB PRO 54 1HB PRO 54 -12.702 3.506 3.505 394 2HB PRO 54 2HB PRO 54 -14.408 3.578 3.112 395 1HG PRO 54 1HG PRO 54 -12.924 1.459 4.541 396 2HG PRO 54 2HG PRO 54 -14.650 1.759 4.509 397 1HD PRO 54 1HD PRO 54 -13.236 -0.286 3.078 398 2HD PRO 54 2HD PRO 54 -14.944 0.089 2.957 399 H PHE 55 H PHE 55 -11.600 4.478 2.042 400 HA PHE 55 HA PHE 55 -9.387 3.067 0.739 401 1HB PHE 55 1HB PHE 55 -10.136 5.253 -0.241 402 2HB PHE 55 2HB PHE 55 -10.028 6.018 1.332 403 HD1 PHE 55 1HD PHE 55 -7.728 3.904 -0.730 404 HD2 PHE 55 2HD PHE 55 -8.272 7.486 1.479 405 HE1 PHE 55 1HE PHE 55 -5.354 4.561 -1.211 406 HE2 PHE 55 2HE PHE 55 -5.897 8.144 0.998 407 HZ PHE 55 HZ PHE 55 -4.467 6.673 -0.341 408 H ARG 56 H ARG 56 -10.120 2.428 3.467 409 HA ARG 56 HA ARG 56 -8.484 3.960 5.180 410 1HB ARG 56 1HB ARG 56 -10.103 1.414 5.417 411 2HB ARG 56 2HB ARG 56 -8.938 1.773 6.675 412 1HG ARG 56 1HG ARG 56 -10.627 4.097 5.917 413 2HG ARG 56 2HG ARG 56 -11.538 2.752 6.574 414 1HD ARG 56 1HD ARG 56 -9.216 3.023 8.228 415 2HD ARG 56 2HD ARG 56 -9.827 4.646 7.974 416 HE ARG 56 HE ARG 56 -11.667 4.119 9.310 417 1HH1 ARG 56 2HH2 ARG 56 -10.245 1.129 8.118 418 2HH1 ARG 56 1HH2 ARG 56 -11.289 0.110 9.052 419 1HH2 ARG 56 2HH1 ARG 56 -13.044 2.776 10.543 420 2HH2 ARG 56 1HH1 ARG 56 -12.892 1.053 10.441 421 H ARG 57 H ARG 57 -6.918 2.433 6.720 422 HA ARG 57 HA ARG 57 -4.739 1.898 5.162 423 1HB ARG 57 1HB ARG 57 -5.427 0.799 7.935 424 2HB ARG 57 2HB ARG 57 -3.822 0.772 7.233 425 1HG ARG 57 1HG ARG 57 -3.625 3.157 7.280 426 2HG ARG 57 2HG ARG 57 -5.352 3.387 7.471 427 1HD ARG 57 1HD ARG 57 -5.322 2.740 9.760 428 2HD ARG 57 2HD ARG 57 -3.805 1.877 9.600 429 HE ARG 57 HE ARG 57 -3.171 4.528 8.973 430 1HH1 ARG 57 2HH2 ARG 57 -4.578 2.864 11.735 431 2HH1 ARG 57 1HH2 ARG 57 -3.979 4.007 12.891 432 1HH2 ARG 57 2HH1 ARG 57 -2.380 6.036 10.497 433 2HH2 ARG 57 1HH1 ARG 57 -2.720 5.823 12.182 434 HA PRO 58 HA PRO 58 -5.444 -2.177 3.773 435 1HB PRO 58 1HB PRO 58 -2.898 -3.008 3.233 436 2HB PRO 58 2HB PRO 58 -3.824 -1.990 2.149 437 1HG PRO 58 1HG PRO 58 -1.587 -1.246 3.932 438 2HG PRO 58 2HG PRO 58 -2.233 -0.371 2.558 439 1HD PRO 58 1HD PRO 58 -2.677 0.217 5.330 440 2HD PRO 58 2HD PRO 58 -3.415 1.018 3.957 441 H SER 59 H SER 59 -2.764 -1.997 6.062 442 HA SER 59 HA SER 59 -2.882 -4.625 6.821 443 1HB SER 59 1HB SER 59 -2.014 -2.094 8.250 444 2HB SER 59 2HB SER 59 -1.930 -3.644 9.062 445 HG SER 59 HG SER 59 -0.846 -3.674 6.473 446 H THR 60 H THR 60 -5.157 -2.059 7.333 447 HA THR 60 HA THR 60 -6.258 -3.132 9.773 448 HB THR 60 HB THR 60 -6.649 -0.781 7.946 449 HG1 THR 60 1HG THR 60 -6.550 0.152 10.082 450 1HG2 THR 60 1HG2 THR 60 -8.793 -0.204 9.078 451 2HG2 THR 60 2HG2 THR 60 -8.985 -1.685 8.108 452 3HG2 THR 60 3HG2 THR 60 -8.804 -1.795 9.876 453 H PHE 61 H PHE 61 -6.827 -3.390 6.268 454 HA PHE 61 HA PHE 61 -9.386 -4.548 6.519 455 1HB PHE 61 1HB PHE 61 -7.145 -4.591 4.415 456 2HB PHE 61 2HB PHE 61 -8.720 -5.295 4.106 457 HD1 PHE 61 1HD PHE 61 -10.435 -3.225 5.460 458 HD2 PHE 61 2HD PHE 61 -7.104 -2.836 2.860 459 HE1 PHE 61 1HE PHE 61 -11.287 -0.989 4.702 460 HE2 PHE 61 2HE PHE 61 -7.956 -0.600 2.102 461 HZ PHE 61 HZ PHE 61 -10.038 0.297 3.032 462 H GLY 62 H GLY 62 -9.810 -6.855 5.580 463 1HA GLY 62 1HA GLY 62 -8.212 -8.700 7.174 464 2HA GLY 62 2HA GLY 62 -9.754 -9.010 6.403 465 H ILE 63 H ILE 63 -8.315 -11.055 5.885 466 HA ILE 63 HA ILE 63 -6.310 -10.801 3.933 467 HB ILE 63 HB ILE 63 -7.969 -13.036 5.032 468 1HG1 ILE 63 1HG1 ILE 63 -4.968 -12.867 4.921 469 2HG1 ILE 63 2HG1 ILE 63 -5.854 -11.922 6.102 470 1HG2 ILE 63 1HG2 ILE 63 -6.490 -13.029 2.458 471 2HG2 ILE 63 2HG2 ILE 63 -6.225 -14.422 3.534 472 3HG2 ILE 63 3HG2 ILE 63 -7.871 -14.015 2.995 473 1HD1 ILE 63 1HD1 ILE 63 -7.016 -14.519 6.184 474 2HD1 ILE 63 2HD1 ILE 63 -5.254 -14.764 6.126 475 3HD1 ILE 63 3HD1 ILE 63 -5.971 -13.763 7.411 476 HA PRO 64 HA PRO 64 -9.912 -11.604 0.965 477 1HB PRO 64 1HB PRO 64 -12.476 -11.240 1.837 478 2HB PRO 64 2HB PRO 64 -11.700 -12.810 1.772 479 1HG PRO 64 1HG PRO 64 -12.264 -11.116 4.129 480 2HG PRO 64 2HG PRO 64 -11.891 -12.827 4.071 481 1HD PRO 64 1HD PRO 64 -10.114 -10.708 4.834 482 2HD PRO 64 2HD PRO 64 -9.710 -12.405 4.665 483 H ARG 65 H ARG 65 -11.210 -9.200 3.216 484 HA ARG 65 HA ARG 65 -12.079 -7.442 1.404 485 1HB ARG 65 1HB ARG 65 -11.548 -7.432 4.173 486 2HB ARG 65 2HB ARG 65 -10.618 -6.072 3.576 487 1HG ARG 65 1HG ARG 65 -12.920 -5.610 2.215 488 2HG ARG 65 2HG ARG 65 -13.596 -6.489 3.572 489 1HD ARG 65 1HD ARG 65 -11.648 -4.199 4.033 490 2HD ARG 65 2HD ARG 65 -13.349 -3.880 3.761 491 HE ARG 65 HE ARG 65 -12.178 -4.929 6.184 492 1HH1 ARG 65 2HH2 ARG 65 -15.061 -5.154 4.180 493 2HH1 ARG 65 1HH2 ARG 65 -16.091 -5.623 5.491 494 1HH2 ARG 65 2HH1 ARG 65 -13.536 -5.549 7.914 495 2HH2 ARG 65 1HH1 ARG 65 -15.218 -5.850 7.629 496 H LEU 66 H LEU 66 -8.709 -8.130 2.350 497 HA LEU 66 HA LEU 66 -7.552 -5.822 1.243 498 1HB LEU 66 1HB LEU 66 -6.608 -8.507 2.137 499 2HB LEU 66 2HB LEU 66 -5.534 -7.535 1.151 500 HG LEU 66 HG LEU 66 -6.807 -6.397 3.636 501 1HD1 LEU 66 1HD1 LEU 66 -4.053 -7.444 3.886 502 2HD1 LEU 66 2HD1 LEU 66 -5.388 -7.407 5.062 503 3HD1 LEU 66 3HD1 LEU 66 -5.343 -8.668 3.806 504 1HD2 LEU 66 1HD2 LEU 66 -4.453 -5.689 1.896 505 2HD2 LEU 66 2HD2 LEU 66 -5.839 -4.685 2.386 506 3HD2 LEU 66 3HD2 LEU 66 -4.579 -5.103 3.572 507 H GLU 67 H GLU 67 -7.833 -9.211 -0.047 508 HA GLU 67 HA GLU 67 -6.727 -8.757 -2.467 509 1HB GLU 67 1HB GLU 67 -8.778 -10.661 -1.404 510 2HB GLU 67 2HB GLU 67 -8.649 -10.560 -3.149 511 1HG GLU 67 1HG GLU 67 -5.971 -10.633 -2.082 512 2HG GLU 67 2HG GLU 67 -6.887 -11.904 -1.296 513 H LYS 68 H LYS 68 -10.166 -8.233 -1.470 514 HA LYS 68 HA LYS 68 -11.323 -7.641 -3.829 515 1HB LYS 68 1HB LYS 68 -11.760 -6.016 -1.312 516 2HB LYS 68 2HB LYS 68 -12.909 -6.328 -2.598 517 1HG LYS 68 1HG LYS 68 -12.328 -8.898 -1.967 518 2HG LYS 68 2HG LYS 68 -11.945 -8.168 -0.421 519 1HD LYS 68 1HD LYS 68 -14.224 -7.069 -0.419 520 2HD LYS 68 2HD LYS 68 -14.599 -7.906 -1.912 521 1HE LYS 68 1HE LYS 68 -14.043 -10.103 -0.657 522 2HE LYS 68 2HE LYS 68 -14.037 -9.151 0.814 523 1HZ LYS 68 1HZ LYS 68 -16.323 -8.583 -0.717 524 2HZ LYS 68 2HZ LYS 68 -16.218 -10.190 -0.450 525 3HZ LYS 68 3HZ LYS 68 -16.225 -9.152 0.810 526 H ILE 69 H ILE 69 -9.401 -5.341 -1.784 527 HA ILE 69 HA ILE 69 -9.639 -3.141 -3.408 528 HB ILE 69 HB ILE 69 -7.544 -4.108 -1.496 529 1HG1 ILE 69 1HG1 ILE 69 -8.864 -1.525 -1.065 530 2HG1 ILE 69 2HG1 ILE 69 -9.998 -2.855 -1.186 531 1HG2 ILE 69 1HG2 ILE 69 -7.349 -1.779 -3.375 532 2HG2 ILE 69 2HG2 ILE 69 -6.674 -1.651 -1.733 533 3HG2 ILE 69 3HG2 ILE 69 -6.096 -2.922 -2.837 534 1HD1 ILE 69 1HD1 ILE 69 -9.419 -2.797 1.118 535 2HD1 ILE 69 2HD1 ILE 69 -8.425 -4.119 0.461 536 3HD1 ILE 69 3HD1 ILE 69 -7.695 -2.524 0.766 537 H LEU 70 H LEU 70 -6.907 -5.545 -3.414 538 HA LEU 70 HA LEU 70 -5.523 -4.616 -5.530 539 1HB LEU 70 1HB LEU 70 -5.969 -7.257 -4.294 540 2HB LEU 70 2HB LEU 70 -5.342 -7.300 -5.930 541 HG LEU 70 HG LEU 70 -4.087 -6.032 -3.492 542 1HD1 LEU 70 1HD1 LEU 70 -3.902 -8.561 -4.183 543 2HD1 LEU 70 2HD1 LEU 70 -2.715 -7.935 -5.353 544 3HD1 LEU 70 3HD1 LEU 70 -2.477 -7.662 -3.610 545 1HD2 LEU 70 1HD2 LEU 70 -2.198 -5.497 -5.210 546 2HD2 LEU 70 2HD2 LEU 70 -3.524 -5.529 -6.397 547 3HD2 LEU 70 3HD2 LEU 70 -3.580 -4.389 -5.032 548 H ARG 71 H ARG 71 -8.283 -6.974 -5.735 549 HA ARG 71 HA ARG 71 -8.417 -7.386 -8.320 550 1HB ARG 71 1HB ARG 71 -10.842 -6.577 -6.635 551 2HB ARG 71 2HB ARG 71 -10.894 -7.552 -8.091 552 1HG ARG 71 1HG ARG 71 -9.086 -9.014 -6.674 553 2HG ARG 71 2HG ARG 71 -9.960 -8.297 -5.335 554 1HD ARG 71 1HD ARG 71 -12.037 -9.086 -7.017 555 2HD ARG 71 2HD ARG 71 -10.855 -10.351 -7.285 556 HE ARG 71 HE ARG 71 -11.008 -9.911 -4.476 557 1HH1 ARG 71 2HH2 ARG 71 -13.033 -11.119 -7.087 558 2HH1 ARG 71 1HH2 ARG 71 -13.954 -12.167 -6.060 559 1HH2 ARG 71 2HH1 ARG 71 -12.222 -11.293 -3.120 560 2HH2 ARG 71 1HH1 ARG 71 -13.489 -12.267 -3.789 561 H ASN 72 H ASN 72 -9.070 -4.300 -6.680 562 HA ASN 72 HA ASN 72 -9.695 -3.160 -9.291 563 1HB ASN 72 1HB ASN 72 -10.621 -2.405 -6.482 564 2HB ASN 72 2HB ASN 72 -10.718 -1.254 -7.800 565 1HD2 ASN 72 1HD2 ASN 72 -12.977 -1.969 -6.553 566 2HD2 ASN 72 2HD2 ASN 72 -13.980 -2.973 -7.546 567 H LYS 73 H LYS 73 -7.059 -3.421 -8.981 568 HA LYS 73 HA LYS 73 -5.977 -1.226 -7.433 569 1HB LYS 73 1HB LYS 73 -3.873 -2.225 -7.764 570 2HB LYS 73 2HB LYS 73 -4.980 -3.559 -7.505 571 1HG LYS 73 1HG LYS 73 -5.167 -3.871 -9.991 572 2HG LYS 73 2HG LYS 73 -4.034 -2.556 -10.233 573 1HD LYS 73 1HD LYS 73 -2.301 -3.819 -8.930 574 2HD LYS 73 2HD LYS 73 -3.433 -5.139 -8.714 575 1HE LYS 73 1HE LYS 73 -3.421 -5.700 -11.034 576 2HE LYS 73 2HE LYS 73 -2.783 -4.138 -11.506 577 1HZ LYS 73 1HZ LYS 73 -1.389 -6.427 -10.448 578 2HZ LYS 73 2HZ LYS 73 -0.899 -5.327 -11.551 579 3HZ LYS 73 3HZ LYS 73 -0.841 -4.968 -9.958 580 H ALA 74 H ALA 74 -6.154 -2.336 -10.878 581 HA ALA 74 HA ALA 74 -4.898 -0.014 -11.880 582 1HB ALA 74 1HB ALA 74 -5.958 -2.515 -12.840 583 2HB ALA 74 2HB ALA 74 -6.595 -1.192 -13.846 584 3HB ALA 74 3HB ALA 74 -4.838 -1.394 -13.650 585 H LYS 75 H LYS 75 -8.286 -0.969 -11.186 586 HA LYS 75 HA LYS 75 -9.472 1.199 -12.521 587 1HB LYS 75 1HB LYS 75 -10.510 -0.454 -10.199 588 2HB LYS 75 2HB LYS 75 -11.472 0.587 -11.230 589 1HG LYS 75 1HG LYS 75 -9.756 -1.555 -12.507 590 2HG LYS 75 2HG LYS 75 -11.266 -2.020 -11.749 591 1HD LYS 75 1HD LYS 75 -12.573 -0.890 -13.312 592 2HD LYS 75 2HD LYS 75 -11.367 0.350 -13.593 593 1HE LYS 75 1HE LYS 75 -9.943 -1.539 -14.701 594 2HE LYS 75 2HE LYS 75 -11.416 -2.488 -14.695 595 1HZ LYS 75 1HZ LYS 75 -11.753 -1.446 -16.616 596 2HZ LYS 75 2HZ LYS 75 -12.267 -0.188 -15.709 597 3HZ LYS 75 3HZ LYS 75 -10.739 -0.208 -16.287 598 H ILE 76 H ILE 76 -8.520 0.672 -9.063 599 HA ILE 76 HA ILE 76 -9.426 2.926 -7.927 600 HB ILE 76 HB ILE 76 -7.015 1.237 -7.554 601 1HG1 ILE 76 1HG1 ILE 76 -9.097 2.111 -5.545 602 2HG1 ILE 76 2HG1 ILE 76 -9.385 0.803 -6.675 603 1HG2 ILE 76 1HG2 ILE 76 -6.366 2.669 -5.571 604 2HG2 ILE 76 2HG2 ILE 76 -5.951 3.317 -7.176 605 3HG2 ILE 76 3HG2 ILE 76 -7.355 3.962 -6.290 606 1HD1 ILE 76 1HD1 ILE 76 -6.989 -0.031 -5.782 607 2HD1 ILE 76 2HD1 ILE 76 -7.466 0.935 -4.364 608 3HD1 ILE 76 3HD1 ILE 76 -8.493 -0.412 -4.910 609 H LYS 77 H LYS 77 -8.777 5.109 -7.681 610 HA LYS 77 HA LYS 77 -6.554 6.028 -9.284 611 1HB LYS 77 1HB LYS 77 -8.798 5.889 -10.675 612 2HB LYS 77 2HB LYS 77 -9.187 7.365 -9.815 613 1HG LYS 77 1HG LYS 77 -7.320 8.539 -10.721 614 2HG LYS 77 2HG LYS 77 -6.483 7.064 -11.160 615 1HD LYS 77 1HD LYS 77 -7.643 6.826 -13.137 616 2HD LYS 77 2HD LYS 77 -9.151 7.389 -12.445 617 1HE LYS 77 1HE LYS 77 -8.218 9.751 -12.464 618 2HE LYS 77 2HE LYS 77 -6.793 9.142 -13.284 619 1HZ LYS 77 1HZ LYS 77 -8.809 10.020 -14.613 620 2HZ LYS 77 2HZ LYS 77 -7.969 8.732 -15.164 621 3HZ LYS 77 3HZ LYS 77 -9.397 8.511 -14.403 622 H PHE 78 H PHE 78 -5.711 8.008 -8.536 623 HA PHE 78 HA PHE 78 -6.902 8.854 -5.998 624 1HB PHE 78 1HB PHE 78 -4.128 8.855 -7.286 625 2HB PHE 78 2HB PHE 78 -4.450 9.933 -5.942 626 HD1 PHE 78 1HD PHE 78 -3.462 9.134 -4.026 627 HD2 PHE 78 2HD PHE 78 -5.358 6.370 -6.628 628 HE1 PHE 78 1HE PHE 78 -2.961 7.275 -2.415 629 HE2 PHE 78 2HE PHE 78 -4.857 4.511 -5.017 630 HZ PHE 78 HZ PHE 78 -3.665 4.986 -2.930 631 H ILE 79 H ILE 79 -7.760 10.879 -5.795 632 HA ILE 79 HA ILE 79 -7.332 12.685 -8.066 633 HB ILE 79 HB ILE 79 -9.630 12.176 -6.220 634 1HG1 ILE 79 1HG1 ILE 79 -10.895 12.065 -8.267 635 2HG1 ILE 79 2HG1 ILE 79 -9.542 12.660 -9.209 636 1HG2 ILE 79 1HG2 ILE 79 -10.464 14.383 -7.585 637 2HG2 ILE 79 2HG2 ILE 79 -9.880 14.383 -5.904 638 3HG2 ILE 79 3HG2 ILE 79 -8.772 14.807 -7.231 639 1HD1 ILE 79 1HD1 ILE 79 -9.972 10.091 -9.180 640 2HD1 ILE 79 2HD1 ILE 79 -8.299 10.652 -8.944 641 3HD1 ILE 79 3HD1 ILE 79 -9.270 10.135 -7.544 642 H ILE 80 H ILE 80 -6.050 14.419 -7.752 643 HA ILE 80 HA ILE 80 -5.766 15.354 -4.981 644 HB ILE 80 HB ILE 80 -3.614 15.266 -7.098 645 1HG1 ILE 80 1HG1 ILE 80 -4.489 13.045 -5.992 646 2HG1 ILE 80 2HG1 ILE 80 -2.774 13.334 -6.208 647 1HG2 ILE 80 1HG2 ILE 80 -2.109 15.975 -5.347 648 2HG2 ILE 80 2HG2 ILE 80 -3.442 17.145 -5.496 649 3HG2 ILE 80 3HG2 ILE 80 -3.433 15.972 -4.157 650 1HD1 ILE 80 1HD1 ILE 80 -3.241 12.514 -3.922 651 2HD1 ILE 80 2HD1 ILE 80 -2.610 14.178 -3.867 652 3HD1 ILE 80 3HD1 ILE 80 -4.351 13.878 -3.649 653 H LYS 81 H LYS 81 -6.799 17.266 -4.794 654 HA LYS 81 HA LYS 81 -7.048 18.922 -7.166 655 1HB LYS 81 1HB LYS 81 -8.361 18.934 -4.443 656 2HB LYS 81 2HB LYS 81 -8.543 20.265 -5.569 657 1HG LYS 81 1HG LYS 81 -9.421 18.696 -7.300 658 2HG LYS 81 2HG LYS 81 -9.211 17.349 -6.198 659 1HD LYS 81 1HD LYS 81 -10.697 19.191 -4.684 660 2HD LYS 81 2HD LYS 81 -11.361 19.369 -6.296 661 1HE LYS 81 1HE LYS 81 -11.945 17.035 -6.435 662 2HE LYS 81 2HE LYS 81 -10.944 16.619 -5.058 663 1HZ LYS 81 1HZ LYS 81 -12.714 16.940 -3.817 664 2HZ LYS 81 2HZ LYS 81 -12.707 18.531 -4.185 665 3HZ LYS 81 3HZ LYS 81 -13.598 17.491 -5.075 666 H LYS 82 H LYS 82 -5.456 18.810 -3.969 667 HA LYS 82 HA LYS 82 -4.104 21.314 -4.704 668 1HB LYS 82 1HB LYS 82 -5.078 20.301 -2.037 669 2HB LYS 82 2HB LYS 82 -3.758 21.450 -2.133 670 1HG LYS 82 1HG LYS 82 -5.938 22.271 -3.901 671 2HG LYS 82 2HG LYS 82 -6.543 22.012 -2.276 672 1HD LYS 82 1HD LYS 82 -5.423 23.823 -1.431 673 2HD LYS 82 2HD LYS 82 -3.961 23.463 -2.328 674 1HE LYS 82 1HE LYS 82 -5.142 24.332 -4.429 675 2HE LYS 82 2HE LYS 82 -6.457 24.860 -3.397 676 1HZ LYS 82 1HZ LYS 82 -4.496 25.957 -2.112 677 2HZ LYS 82 2HZ LYS 82 -3.752 25.881 -3.564 678 3HZ LYS 82 3HZ LYS 82 -5.161 26.692 -3.409 679 HA PRO 83 HA PRO 83 -1.000 18.072 -4.711 680 1HB PRO 83 1HB PRO 83 0.264 18.826 -7.014 681 2HB PRO 83 2HB PRO 83 -1.017 17.631 -6.971 682 1HG PRO 83 1HG PRO 83 -1.129 20.435 -7.900 683 2HG PRO 83 2HG PRO 83 -2.242 19.123 -8.233 684 1HD PRO 83 1HD PRO 83 -2.638 21.283 -6.388 685 2HD PRO 83 2HD PRO 83 -3.697 19.910 -6.637 686 H GLU 84 H GLU 84 -0.850 21.499 -4.982 687 HA GLU 84 HA GLU 84 1.900 21.698 -4.553 688 1HB GLU 84 1HB GLU 84 1.432 24.068 -4.068 689 2HB GLU 84 2HB GLU 84 0.525 23.539 -5.470 690 1HG GLU 84 1HG GLU 84 -1.462 23.109 -3.919 691 2HG GLU 84 2HG GLU 84 -0.543 23.856 -2.628 692 H MET 85 H MET 85 -0.628 20.618 -2.522 693 HA MET 85 HA MET 85 0.614 21.592 -0.114 694 1HB MET 85 1HB MET 85 -1.895 20.015 -0.821 695 2HB MET 85 2HB MET 85 -1.342 20.044 0.842 696 1HG MET 85 1HG MET 85 -1.473 22.708 -0.526 697 2HG MET 85 2HG MET 85 -3.015 21.932 -0.229 698 1HE MET 85 1HE MET 85 -2.775 20.326 2.425 699 2HE MET 85 2HE MET 85 -3.278 21.608 3.552 700 3HE MET 85 3HE MET 85 -4.054 21.472 1.956 701 H PHE 86 H PHE 86 0.653 18.788 -2.202 702 HA PHE 86 HA PHE 86 1.506 16.978 -0.142 703 1HB PHE 86 1HB PHE 86 0.810 17.046 -3.049 704 2HB PHE 86 2HB PHE 86 2.121 15.938 -2.698 705 HD1 PHE 86 1HD PHE 86 1.612 13.773 -2.060 706 HD2 PHE 86 2HD PHE 86 -1.300 16.807 -1.488 707 HE1 PHE 86 1HE PHE 86 -0.049 12.041 -1.326 708 HE2 PHE 86 2HE PHE 86 -2.961 15.074 -0.754 709 HZ PHE 86 HZ PHE 86 -2.316 12.711 -0.681 710 H GLU 87 H GLU 87 2.964 19.193 -2.495 711 HA GLU 87 HA GLU 87 5.364 18.165 -2.966 712 1HB GLU 87 1HB GLU 87 4.204 20.791 -2.894 713 2HB GLU 87 2HB GLU 87 5.794 20.907 -2.166 714 1HG GLU 87 1HG GLU 87 5.090 19.873 -4.942 715 2HG GLU 87 2HG GLU 87 6.099 21.247 -4.535 716 H THR 88 H THR 88 4.262 19.634 0.127 717 HA THR 88 HA THR 88 6.751 19.669 1.406 718 HB THR 88 HB THR 88 3.848 19.509 2.348 719 HG1 THR 88 1HG THR 88 4.200 21.625 1.800 720 1HG2 THR 88 1HG2 THR 88 4.946 20.522 4.498 721 2HG2 THR 88 2HG2 THR 88 5.029 18.756 4.295 722 3HG2 THR 88 3HG2 THR 88 6.448 19.763 3.919 723 H ALA 89 H ALA 89 4.234 17.100 1.165 724 HA ALA 89 HA ALA 89 5.651 15.342 2.884 725 1HB ALA 89 1HB ALA 89 3.804 14.026 2.634 726 2HB ALA 89 2HB ALA 89 3.101 15.507 1.941 727 3HB ALA 89 3HB ALA 89 3.756 14.247 0.869 728 H ILE 90 H ILE 90 5.499 15.927 -0.658 729 HA ILE 90 HA ILE 90 6.888 13.648 -1.444 730 HB ILE 90 HB ILE 90 6.720 16.389 -2.702 731 1HG1 ILE 90 1HG1 ILE 90 5.099 13.900 -3.301 732 2HG1 ILE 90 2HG1 ILE 90 4.554 15.183 -2.240 733 1HG2 ILE 90 1HG2 ILE 90 7.057 14.313 -4.624 734 2HG2 ILE 90 2HG2 ILE 90 8.118 15.699 -4.277 735 3HG2 ILE 90 3HG2 ILE 90 8.350 14.162 -3.411 736 1HD1 ILE 90 1HD1 ILE 90 5.487 16.478 -4.603 737 2HD1 ILE 90 2HD1 ILE 90 4.514 15.087 -5.138 738 3HD1 ILE 90 3HD1 ILE 90 3.802 16.306 -4.054 739 H LYS 91 H LYS 91 7.913 16.525 0.254 740 HA LYS 91 HA LYS 91 10.695 16.067 -0.451 741 1HB LYS 91 1HB LYS 91 10.420 18.324 -0.444 742 2HB LYS 91 2HB LYS 91 9.110 18.287 0.719 743 1HG LYS 91 1HG LYS 91 10.580 18.144 2.576 744 2HG LYS 91 2HG LYS 91 11.907 17.532 1.609 745 1HD LYS 91 1HD LYS 91 11.935 19.805 0.405 746 2HD LYS 91 2HD LYS 91 10.800 20.375 1.612 747 1HE LYS 91 1HE LYS 91 12.494 19.614 3.399 748 2HE LYS 91 2HE LYS 91 13.636 19.359 2.094 749 1HZ LYS 91 1HZ LYS 91 12.572 21.846 1.688 750 2HZ LYS 91 2HZ LYS 91 12.864 21.770 3.293 751 3HZ LYS 91 3HZ LYS 91 14.073 21.497 2.229 752 H GLU 92 H GLU 92 8.713 16.405 2.582 753 HA GLU 92 HA GLU 92 10.512 15.636 4.374 754 1HB GLU 92 1HB GLU 92 7.559 14.951 4.176 755 2HB GLU 92 2HB GLU 92 8.503 14.503 5.583 756 1HG GLU 92 1HG GLU 92 9.107 16.856 5.993 757 2HG GLU 92 2HG GLU 92 8.327 17.355 4.506 758 H SER 93 H SER 93 8.418 13.350 2.473 759 HA SER 93 HA SER 93 9.276 11.027 3.509 760 1HB SER 93 1HB SER 93 8.276 11.898 0.830 761 2HB SER 93 2HB SER 93 9.052 10.327 0.872 762 HG SER 93 HG SER 93 7.209 10.815 2.960 763 H SER 94 H SER 94 11.108 9.703 3.367 764 HA SER 94 HA SER 94 13.253 10.786 1.712 765 1HB SER 94 1HB SER 94 14.850 10.129 3.377 766 2HB SER 94 2HB SER 94 13.567 10.962 4.231 767 HG SER 94 HG SER 94 14.492 8.501 4.709 768 H GLY 95 H GLY 95 14.547 9.266 0.523 769 1HA GLY 95 1HA GLY 95 14.274 6.457 0.817 770 2HA GLY 95 2HA GLY 95 13.255 7.031 -0.487 771 HA PRO 96 HA PRO 96 17.865 7.666 -1.529 772 1HB PRO 96 1HB PRO 96 19.563 5.799 -0.479 773 2HB PRO 96 2HB PRO 96 19.352 7.396 0.209 774 1HG PRO 96 1HG PRO 96 18.321 4.805 1.189 775 2HG PRO 96 2HG PRO 96 18.489 6.319 2.056 776 1HD PRO 96 1HD PRO 96 16.063 5.198 1.016 777 2HD PRO 96 2HD PRO 96 16.251 6.764 1.780 778 H SER 97 H SER 97 17.012 4.295 -0.922 779 HA SER 97 HA SER 97 18.194 3.159 -3.026 780 1HB SER 97 1HB SER 97 16.629 2.159 -1.202 781 2HB SER 97 2HB SER 97 15.315 2.494 -2.313 782 HG SER 97 HG SER 97 17.249 1.258 -3.742 783 H SER 98 H SER 98 18.123 3.396 -5.235 784 HA SER 98 HA SER 98 17.466 3.955 -7.225 785 1HB SER 98 1HB SER 98 14.764 3.518 -5.940 786 2HB SER 98 2HB SER 98 14.841 4.159 -7.569 787 HG SER 98 HG SER 98 16.317 2.250 -8.021 788 H GLY 99 H GLY 99 18.520 6.050 -6.959 789 1HA GLY 99 1HA GLY 99 17.043 8.255 -7.676 790 2HA GLY 99 2HA GLY 99 17.098 8.300 -5.925 Start of MODEL 4 1 1H GLY 1 H GLY 1 -0.144 -21.224 8.661 2 1HA GLY 1 1HA GLY 1 -2.549 -20.031 8.341 3 2HA GLY 1 2HA GLY 1 -2.273 -21.403 9.396 4 H SER 2 H SER 2 -2.435 -17.826 9.229 5 HA SER 2 HA SER 2 -3.547 -17.754 11.814 6 1HB SER 2 1HB SER 2 -1.862 -16.613 13.040 7 2HB SER 2 2HB SER 2 -1.016 -17.930 12.251 8 HG SER 2 HG SER 2 0.212 -16.498 11.255 9 H SER 3 H SER 3 -3.840 -15.273 12.471 10 HA SER 3 HA SER 3 -5.073 -14.066 10.283 11 1HB SER 3 1HB SER 3 -4.480 -13.265 13.133 12 2HB SER 3 2HB SER 3 -5.059 -12.039 12.022 13 HG SER 3 HG SER 3 -6.437 -14.551 12.180 14 H GLY 4 H GLY 4 -4.591 -11.565 9.819 15 1HA GLY 4 1HA GLY 4 -3.075 -9.895 9.370 16 2HA GLY 4 2HA GLY 4 -1.755 -10.919 9.897 17 H SER 5 H SER 5 -4.055 -10.265 7.219 18 HA SER 5 HA SER 5 -3.084 -12.166 5.472 19 1HB SER 5 1HB SER 5 -5.121 -11.188 4.842 20 2HB SER 5 2HB SER 5 -4.573 -9.560 5.186 21 HG SER 5 HG SER 5 -4.772 -10.320 2.831 22 H SER 6 H SER 6 -0.734 -12.139 5.711 23 HA SER 6 HA SER 6 0.755 -9.831 5.303 24 1HB SER 6 1HB SER 6 2.674 -11.404 5.023 25 2HB SER 6 2HB SER 6 1.695 -11.784 6.426 26 HG SER 6 HG SER 6 2.311 -13.389 4.337 27 H GLY 7 H GLY 7 2.482 -9.739 3.401 28 1HA GLY 7 1HA GLY 7 2.940 -9.589 1.200 29 2HA GLY 7 2HA GLY 7 1.786 -10.872 0.894 30 H LEU 8 H LEU 8 -0.666 -10.073 1.402 31 HA LEU 8 HA LEU 8 -1.305 -8.285 -0.587 32 1HB LEU 8 1HB LEU 8 -2.809 -9.222 1.851 33 2HB LEU 8 2HB LEU 8 -3.528 -8.170 0.648 34 HG LEU 8 HG LEU 8 -2.383 -10.912 0.056 35 1HD1 LEU 8 1HD1 LEU 8 -4.959 -11.339 -0.303 36 2HD1 LEU 8 2HD1 LEU 8 -4.211 -11.496 1.304 37 3HD1 LEU 8 3HD1 LEU 8 -5.116 -10.022 0.883 38 1HD2 LEU 8 1HD2 LEU 8 -2.314 -9.482 -1.888 39 2HD2 LEU 8 2HD2 LEU 8 -3.615 -10.681 -2.079 40 3HD2 LEU 8 3HD2 LEU 8 -4.010 -9.001 -1.642 41 H LYS 9 H LYS 9 -1.225 -7.694 2.999 42 HA LYS 9 HA LYS 9 -1.887 -5.071 3.014 43 1HB LYS 9 1HB LYS 9 -0.576 -6.936 4.772 44 2HB LYS 9 2HB LYS 9 0.233 -5.385 4.880 45 1HG LYS 9 1HG LYS 9 -1.928 -4.247 5.302 46 2HG LYS 9 2HG LYS 9 -2.793 -5.757 5.092 47 1HD LYS 9 1HD LYS 9 -0.634 -6.036 7.067 48 2HD LYS 9 2HD LYS 9 -1.731 -4.741 7.506 49 1HE LYS 9 1HE LYS 9 -3.618 -6.191 7.597 50 2HE LYS 9 2HE LYS 9 -2.845 -7.420 6.617 51 1HZ LYS 9 1HZ LYS 9 -1.589 -8.120 8.372 52 2HZ LYS 9 2HZ LYS 9 -1.668 -6.704 9.181 53 3HZ LYS 9 3HZ LYS 9 -2.963 -7.697 9.146 54 H GLN 10 H GLN 10 1.514 -6.337 2.748 55 HA GLN 10 HA GLN 10 2.676 -3.906 2.332 56 1HB GLN 10 1HB GLN 10 3.542 -6.512 2.483 57 2HB GLN 10 2HB GLN 10 3.838 -6.175 0.789 58 1HG GLN 10 1HG GLN 10 4.743 -3.856 2.137 59 2HG GLN 10 2HG GLN 10 5.266 -5.184 3.154 60 1HE2 GLN 10 1HE2 GLN 10 6.146 -3.252 0.693 61 2HE2 GLN 10 2HE2 GLN 10 7.300 -4.240 -0.140 62 H LYS 11 H LYS 11 1.506 -6.296 -0.143 63 HA LYS 11 HA LYS 11 2.195 -4.906 -2.394 64 1HB LYS 11 1HB LYS 11 -0.175 -6.710 -1.843 65 2HB LYS 11 2HB LYS 11 0.246 -6.132 -3.442 66 1HG LYS 11 1HG LYS 11 2.199 -7.408 -3.554 67 2HG LYS 11 2HG LYS 11 2.455 -7.374 -1.821 68 1HD LYS 11 1HD LYS 11 0.257 -8.831 -1.704 69 2HD LYS 11 2HD LYS 11 0.546 -9.123 -3.407 70 1HE LYS 11 1HE LYS 11 2.880 -9.487 -1.539 71 2HE LYS 11 2HE LYS 11 1.607 -10.690 -1.471 72 1HZ LYS 11 1HZ LYS 11 3.582 -10.391 -3.401 73 2HZ LYS 11 2HZ LYS 11 2.443 -11.556 -3.294 74 3HZ LYS 11 3HZ LYS 11 2.138 -10.190 -4.136 75 H VAL 12 H VAL 12 -0.976 -4.738 -0.622 76 HA VAL 12 HA VAL 12 -2.019 -2.688 -2.183 77 HB VAL 12 HB VAL 12 -2.539 -3.460 0.695 78 1HG1 VAL 12 1HG1 VAL 12 -4.785 -2.395 0.290 79 2HG1 VAL 12 2HG1 VAL 12 -3.421 -1.255 0.368 80 3HG1 VAL 12 3HG1 VAL 12 -4.118 -1.703 -1.207 81 1HG2 VAL 12 1HG2 VAL 12 -3.970 -4.269 -1.860 82 2HG2 VAL 12 2HG2 VAL 12 -2.862 -5.296 -0.919 83 3HG2 VAL 12 3HG2 VAL 12 -4.402 -4.762 -0.205 84 H GLU 13 H GLU 13 -0.025 -2.641 0.824 85 HA GLU 13 HA GLU 13 -0.195 -0.010 1.413 86 1HB GLU 13 1HB GLU 13 1.891 -2.128 1.775 87 2HB GLU 13 2HB GLU 13 2.410 -0.476 2.045 88 1HG GLU 13 1HG GLU 13 0.898 -0.143 3.833 89 2HG GLU 13 2HG GLU 13 -0.177 -1.420 3.300 90 H ASN 14 H ASN 14 2.058 -1.611 -0.931 91 HA ASN 14 HA ASN 14 3.393 0.723 -1.609 92 1HB ASN 14 1HB ASN 14 3.097 -2.042 -2.713 93 2HB ASN 14 2HB ASN 14 3.553 -0.835 -3.900 94 1HD2 ASN 14 1HD2 ASN 14 4.359 -2.195 -0.743 95 2HD2 ASN 14 2HD2 ASN 14 6.057 -1.857 -0.770 96 H LEU 15 H LEU 15 0.555 -1.043 -3.020 97 HA LEU 15 HA LEU 15 0.122 0.272 -5.318 98 1HB LEU 15 1HB LEU 15 -1.438 -1.305 -5.044 99 2HB LEU 15 2HB LEU 15 -1.539 -1.072 -3.310 100 HG LEU 15 HG LEU 15 -2.884 1.045 -3.808 101 1HD1 LEU 15 1HD1 LEU 15 -2.173 0.402 -6.460 102 2HD1 LEU 15 2HD1 LEU 15 -3.924 0.114 -6.323 103 3HD1 LEU 15 3HD1 LEU 15 -3.247 1.703 -5.894 104 1HD2 LEU 15 1HD2 LEU 15 -4.688 -0.952 -4.813 105 2HD2 LEU 15 2HD2 LEU 15 -3.628 -1.669 -3.576 106 3HD2 LEU 15 3HD2 LEU 15 -4.593 -0.224 -3.192 107 H PHE 16 H PHE 16 -1.258 1.365 -2.133 108 HA PHE 16 HA PHE 16 -2.245 3.757 -3.030 109 1HB PHE 16 1HB PHE 16 -0.892 2.997 -0.371 110 2HB PHE 16 2HB PHE 16 -1.952 4.379 -0.564 111 HD1 PHE 16 1HD PHE 16 -2.184 1.878 1.288 112 HD2 PHE 16 2HD PHE 16 -3.960 2.940 -2.417 113 HE1 PHE 16 1HE PHE 16 -4.165 0.433 1.824 114 HE2 PHE 16 2HE PHE 16 -5.941 1.495 -1.880 115 HZ PHE 16 HZ PHE 16 -6.020 0.258 0.233 116 H ASN 17 H ASN 17 1.093 2.894 -2.019 117 HA ASN 17 HA ASN 17 2.029 5.499 -1.869 118 1HB ASN 17 1HB ASN 17 3.159 2.756 -1.972 119 2HB ASN 17 2HB ASN 17 4.221 3.946 -2.699 120 1HD2 ASN 17 1HD2 ASN 17 2.246 3.290 0.169 121 2HD2 ASN 17 2HD2 ASN 17 3.243 4.109 1.325 122 H GLU 18 H GLU 18 2.155 2.970 -4.488 123 HA GLU 18 HA GLU 18 3.516 4.484 -6.332 124 1HB GLU 18 1HB GLU 18 1.921 2.008 -6.306 125 2HB GLU 18 2HB GLU 18 1.813 2.847 -7.840 126 1HG GLU 18 1HG GLU 18 4.573 2.872 -6.884 127 2HG GLU 18 2HG GLU 18 3.962 1.229 -6.904 128 H LYS 19 H LYS 19 -0.046 3.731 -6.458 129 HA LYS 19 HA LYS 19 -0.808 5.441 -8.364 130 1HB LYS 19 1HB LYS 19 -2.141 4.528 -5.832 131 2HB LYS 19 2HB LYS 19 -2.950 5.695 -6.858 132 1HG LYS 19 1HG LYS 19 -3.632 3.427 -7.508 133 2HG LYS 19 2HG LYS 19 -2.714 4.155 -8.811 134 1HD LYS 19 1HD LYS 19 -0.674 2.942 -8.099 135 2HD LYS 19 2HD LYS 19 -1.520 2.278 -6.716 136 1HE LYS 19 1HE LYS 19 -3.119 1.114 -8.260 137 2HE LYS 19 2HE LYS 19 -2.258 1.768 -9.639 138 1HZ LYS 19 1HZ LYS 19 -1.684 -0.549 -8.533 139 2HZ LYS 19 2HZ LYS 19 -0.581 0.343 -9.341 140 3HZ LYS 19 3HZ LYS 19 -0.632 0.391 -7.710 141 H CYS 20 H CYS 20 -0.271 6.301 -4.888 142 HA CYS 20 HA CYS 20 -1.055 8.890 -4.949 143 1HB CYS 20 1HB CYS 20 -0.416 7.980 -2.867 144 2HB CYS 20 2HB CYS 20 1.175 7.521 -3.442 145 HG CYS 20 HG CYS 20 0.539 10.607 -3.983 146 H GLY 21 H GLY 21 2.366 7.726 -5.459 147 1HA GLY 21 1HA GLY 21 3.479 10.089 -6.308 148 2HA GLY 21 2HA GLY 21 4.012 8.490 -6.788 149 H GLU 22 H GLU 22 1.426 7.761 -8.105 150 HA GLU 22 HA GLU 22 2.053 8.860 -10.622 151 1HB GLU 22 1HB GLU 22 0.755 6.573 -9.686 152 2HB GLU 22 2HB GLU 22 -0.556 7.492 -10.399 153 1HG GLU 22 1HG GLU 22 1.786 7.607 -12.136 154 2HG GLU 22 2HG GLU 22 1.412 5.937 -11.758 155 H ALA 23 H ALA 23 -0.456 9.423 -8.128 156 HA ALA 23 HA ALA 23 -2.211 10.939 -9.659 157 1HB ALA 23 1HB ALA 23 -2.115 9.995 -7.100 158 2HB ALA 23 2HB ALA 23 -1.801 11.726 -6.822 159 3HB ALA 23 3HB ALA 23 -3.282 11.214 -7.666 160 H LEU 24 H LEU 24 0.732 11.859 -7.771 161 HA LEU 24 HA LEU 24 0.444 14.619 -8.317 162 1HB LEU 24 1HB LEU 24 2.756 12.933 -7.361 163 2HB LEU 24 2HB LEU 24 2.839 14.675 -7.532 164 HG LEU 24 HG LEU 24 2.428 14.227 -5.245 165 1HD1 LEU 24 1HD1 LEU 24 -0.355 14.882 -6.169 166 2HD1 LEU 24 2HD1 LEU 24 0.586 15.563 -4.820 167 3HD1 LEU 24 3HD1 LEU 24 0.994 15.996 -6.498 168 1HD2 LEU 24 1HD2 LEU 24 1.662 11.896 -5.513 169 2HD2 LEU 24 2HD2 LEU 24 0.643 12.829 -4.392 170 3HD2 LEU 24 3HD2 LEU 24 0.073 12.495 -6.045 171 H GLY 25 H GLY 25 1.473 11.878 -10.182 172 1HA GLY 25 1HA GLY 25 1.761 12.037 -12.497 173 2HA GLY 25 2HA GLY 25 2.295 13.698 -12.333 174 H LEU 26 H LEU 26 3.397 10.902 -10.340 175 HA LEU 26 HA LEU 26 6.066 11.313 -11.496 176 1HB LEU 26 1HB LEU 26 5.362 10.340 -8.726 177 2HB LEU 26 2HB LEU 26 6.972 10.615 -9.361 178 HG LEU 26 HG LEU 26 4.888 12.788 -9.020 179 1HD1 LEU 26 1HD1 LEU 26 7.048 13.125 -7.210 180 2HD1 LEU 26 2HD1 LEU 26 5.331 12.824 -6.849 181 3HD1 LEU 26 3HD1 LEU 26 6.455 11.456 -7.032 182 1HD2 LEU 26 1HD2 LEU 26 6.659 14.348 -9.422 183 2HD2 LEU 26 2HD2 LEU 26 7.871 13.045 -9.472 184 3HD2 LEU 26 3HD2 LEU 26 6.644 13.170 -10.756 185 H LYS 27 H LYS 27 7.474 9.227 -11.227 186 HA LYS 27 HA LYS 27 5.777 6.980 -12.063 187 1HB LYS 27 1HB LYS 27 8.394 8.035 -13.052 188 2HB LYS 27 2HB LYS 27 8.141 6.302 -13.096 189 1HG LYS 27 1HG LYS 27 6.042 6.608 -14.382 190 2HG LYS 27 2HG LYS 27 6.203 8.350 -14.274 191 1HD LYS 27 1HD LYS 27 8.649 7.735 -15.338 192 2HD LYS 27 2HD LYS 27 7.709 6.404 -15.983 193 1HE LYS 27 1HE LYS 27 6.840 7.778 -17.562 194 2HE LYS 27 2HE LYS 27 6.109 8.762 -16.310 195 1HZ LYS 27 1HZ LYS 27 7.748 9.868 -17.832 196 2HZ LYS 27 2HZ LYS 27 7.971 10.123 -16.234 197 3HZ LYS 27 3HZ LYS 27 8.929 9.070 -17.034 198 H GLN 28 H GLN 28 6.989 8.099 -9.335 199 HA GLN 28 HA GLN 28 8.101 5.507 -8.585 200 1HB GLN 28 1HB GLN 28 9.334 6.754 -6.772 201 2HB GLN 28 2HB GLN 28 9.847 7.169 -8.396 202 1HG GLN 28 1HG GLN 28 7.615 8.869 -7.511 203 2HG GLN 28 2HG GLN 28 8.967 8.961 -6.399 204 1HE2 GLN 28 1HE2 GLN 28 8.747 11.215 -7.351 205 2HE2 GLN 28 2HE2 GLN 28 9.744 11.598 -8.715 206 H ALA 29 H ALA 29 7.929 5.422 -5.916 207 HA ALA 29 HA ALA 29 5.061 5.641 -5.463 208 1HB ALA 29 1HB ALA 29 5.424 3.625 -4.541 209 2HB ALA 29 2HB ALA 29 7.182 3.810 -4.748 210 3HB ALA 29 3HB ALA 29 6.391 4.415 -3.273 211 H VAL 30 H VAL 30 4.165 6.757 -3.661 212 HA VAL 30 HA VAL 30 6.038 8.409 -2.147 213 HB VAL 30 HB VAL 30 3.609 9.426 -3.636 214 1HG1 VAL 30 1HG1 VAL 30 5.410 10.688 -1.572 215 2HG1 VAL 30 2HG1 VAL 30 4.578 11.680 -2.794 216 3HG1 VAL 30 3HG1 VAL 30 3.632 10.680 -1.665 217 1HG2 VAL 30 1HG2 VAL 30 6.522 10.186 -4.011 218 2HG2 VAL 30 2HG2 VAL 30 5.665 8.996 -5.019 219 3HG2 VAL 30 3HG2 VAL 30 5.129 10.693 -4.995 220 H LYS 31 H LYS 31 5.595 8.318 0.001 221 HA LYS 31 HA LYS 31 3.696 6.636 1.029 222 1HB LYS 31 1HB LYS 31 5.772 8.154 2.011 223 2HB LYS 31 2HB LYS 31 4.384 8.917 2.759 224 1HG LYS 31 1HG LYS 31 3.684 6.326 3.169 225 2HG LYS 31 2HG LYS 31 5.422 6.115 3.090 226 1HD LYS 31 1HD LYS 31 4.278 8.324 4.819 227 2HD LYS 31 2HD LYS 31 4.243 6.674 5.407 228 1HE LYS 31 1HE LYS 31 6.835 6.774 4.559 229 2HE LYS 31 2HE LYS 31 6.598 8.471 4.924 230 1HZ LYS 31 1HZ LYS 31 5.537 6.798 6.944 231 2HZ LYS 31 2HZ LYS 31 7.130 6.521 6.715 232 3HZ LYS 31 3HZ LYS 31 6.605 8.026 7.073 233 H VAL 32 H VAL 32 1.519 6.683 1.148 234 HA VAL 32 HA VAL 32 0.104 8.942 0.214 235 HB VAL 32 HB VAL 32 -0.738 6.386 1.587 236 1HG1 VAL 32 1HG1 VAL 32 -2.273 8.670 1.460 237 2HG1 VAL 32 2HG1 VAL 32 -2.762 7.798 -0.013 238 3HG1 VAL 32 3HG1 VAL 32 -2.899 7.008 1.576 239 1HG2 VAL 32 1HG2 VAL 32 0.010 7.083 -1.134 240 2HG2 VAL 32 2HG2 VAL 32 -0.295 5.486 -0.410 241 3HG2 VAL 32 3HG2 VAL 32 -1.648 6.440 -1.062 242 HA PRO 33 HA PRO 33 0.136 10.966 4.105 243 1HB PRO 33 1HB PRO 33 -0.794 13.378 3.220 244 2HB PRO 33 2HB PRO 33 0.903 12.941 3.203 245 1HG PRO 33 1HG PRO 33 -0.997 13.086 0.943 246 2HG PRO 33 2HG PRO 33 0.754 13.071 0.905 247 1HD PRO 33 1HD PRO 33 -0.993 10.881 0.293 248 2HD PRO 33 2HD PRO 33 0.757 10.836 0.368 249 H PHE 34 H PHE 34 -1.514 9.272 4.622 250 HA PHE 34 HA PHE 34 -4.171 9.647 4.133 251 1HB PHE 34 1HB PHE 34 -2.600 8.635 6.572 252 2HB PHE 34 2HB PHE 34 -4.336 8.432 6.450 253 HD1 PHE 34 1HD PHE 34 -5.297 6.876 4.832 254 HD2 PHE 34 2HD PHE 34 -1.093 7.332 5.190 255 HE1 PHE 34 1HE PHE 34 -4.957 4.748 3.546 256 HE2 PHE 34 2HE PHE 34 -0.753 5.204 3.903 257 HZ PHE 34 HZ PHE 34 -2.689 3.937 3.096 258 H ALA 35 H ALA 35 -2.039 11.535 6.188 259 HA ALA 35 HA ALA 35 -4.076 12.548 7.896 260 1HB ALA 35 1HB ALA 35 -1.419 13.864 7.265 261 2HB ALA 35 2HB ALA 35 -2.344 13.894 8.786 262 3HB ALA 35 3HB ALA 35 -1.523 12.400 8.273 263 H LEU 36 H LEU 36 -2.840 13.282 4.663 264 HA LEU 36 HA LEU 36 -3.933 15.922 4.609 265 1HB LEU 36 1HB LEU 36 -2.589 14.085 2.675 266 2HB LEU 36 2HB LEU 36 -3.497 15.449 2.053 267 HG LEU 36 HG LEU 36 -1.138 15.563 3.951 268 1HD1 LEU 36 1HD1 LEU 36 -0.029 16.738 2.078 269 2HD1 LEU 36 2HD1 LEU 36 -0.471 15.060 1.682 270 3HD1 LEU 36 3HD1 LEU 36 -1.450 16.410 1.058 271 1HD2 LEU 36 1HD2 LEU 36 -3.221 17.549 3.328 272 2HD2 LEU 36 2HD2 LEU 36 -2.085 17.454 4.695 273 3HD2 LEU 36 3HD2 LEU 36 -1.551 18.138 3.141 274 H PHE 37 H PHE 37 -5.007 12.620 3.841 275 HA PHE 37 HA PHE 37 -7.342 13.576 2.459 276 1HB PHE 37 1HB PHE 37 -6.286 10.877 3.480 277 2HB PHE 37 2HB PHE 37 -7.819 11.007 2.641 278 HD1 PHE 37 1HD PHE 37 -4.183 11.181 2.285 279 HD2 PHE 37 2HD PHE 37 -7.900 11.457 0.255 280 HE1 PHE 37 1HE PHE 37 -2.996 10.978 0.083 281 HE2 PHE 37 2HE PHE 37 -6.713 11.253 -1.947 282 HZ PHE 37 HZ PHE 37 -4.275 11.016 -2.006 283 H GLU 38 H GLU 38 -6.424 12.378 5.705 284 HA GLU 38 HA GLU 38 -9.051 11.969 6.572 285 1HB GLU 38 1HB GLU 38 -8.097 11.470 8.645 286 2HB GLU 38 2HB GLU 38 -6.751 11.165 7.565 287 1HG GLU 38 1HG GLU 38 -5.853 13.446 8.013 288 2HG GLU 38 2HG GLU 38 -7.218 13.792 9.056 289 H SER 39 H SER 39 -6.732 14.733 6.878 290 HA SER 39 HA SER 39 -8.582 16.278 8.346 291 1HB SER 39 1HB SER 39 -5.867 16.673 7.138 292 2HB SER 39 2HB SER 39 -6.805 18.124 7.431 293 HG SER 39 HG SER 39 -6.100 16.096 9.377 294 H PHE 40 H PHE 40 -7.527 16.046 4.906 295 HA PHE 40 HA PHE 40 -9.824 17.739 4.224 296 1HB PHE 40 1HB PHE 40 -7.208 17.508 2.650 297 2HB PHE 40 2HB PHE 40 -8.416 18.770 2.515 298 HD1 PHE 40 1HD PHE 40 -8.844 19.894 5.025 299 HD2 PHE 40 2HD PHE 40 -5.227 18.237 3.549 300 HE1 PHE 40 1HE PHE 40 -7.538 21.317 6.628 301 HE2 PHE 40 2HE PHE 40 -3.921 19.660 5.152 302 HZ PHE 40 HZ PHE 40 -5.092 21.183 6.672 303 HA PRO 41 HA PRO 41 -10.099 13.732 2.105 304 1HB PRO 41 1HB PRO 41 -12.618 13.049 2.918 305 2HB PRO 41 2HB PRO 41 -11.166 12.504 3.735 306 1HG PRO 41 1HG PRO 41 -13.095 14.583 4.571 307 2HG PRO 41 2HG PRO 41 -11.905 13.735 5.540 308 1HD PRO 41 1HD PRO 41 -11.715 16.421 4.550 309 2HD PRO 41 2HD PRO 41 -10.478 15.534 5.419 310 H GLU 42 H GLU 42 -11.941 16.591 2.217 311 HA GLU 42 HA GLU 42 -13.499 15.872 -0.055 312 1HB GLU 42 1HB GLU 42 -13.243 18.232 1.767 313 2HB GLU 42 2HB GLU 42 -13.819 18.574 0.147 314 1HG GLU 42 1HG GLU 42 -15.648 16.953 0.386 315 2HG GLU 42 2HG GLU 42 -15.017 16.400 1.925 316 H ASP 43 H ASP 43 -10.333 17.206 0.570 317 HA ASP 43 HA ASP 43 -10.218 18.400 -2.053 318 1HB ASP 43 1HB ASP 43 -8.246 18.244 0.269 319 2HB ASP 43 2HB ASP 43 -7.825 18.960 -1.274 320 H PHE 44 H PHE 44 -8.914 15.704 -0.052 321 HA PHE 44 HA PHE 44 -7.741 14.579 -2.497 322 1HB PHE 44 1HB PHE 44 -6.872 14.250 0.436 323 2HB PHE 44 2HB PHE 44 -6.012 13.619 -0.956 324 HD1 PHE 44 1HD PHE 44 -5.124 15.356 -2.658 325 HD2 PHE 44 2HD PHE 44 -6.321 16.346 1.291 326 HE1 PHE 44 1HE PHE 44 -3.767 17.464 -2.775 327 HE2 PHE 44 2HE PHE 44 -4.964 18.454 1.174 328 HZ PHE 44 HZ PHE 44 -3.704 18.988 -0.858 329 H TYR 45 H TYR 45 -8.257 12.456 -2.983 330 HA TYR 45 HA TYR 45 -9.171 10.624 -1.044 331 1HB TYR 45 1HB TYR 45 -11.552 10.574 -1.854 332 2HB TYR 45 2HB TYR 45 -11.172 12.165 -1.225 333 HD1 TYR 45 1HD TYR 45 -11.451 10.221 -4.396 334 HD2 TYR 45 2HD TYR 45 -11.413 14.091 -2.574 335 HE1 TYR 45 1HE TYR 45 -12.175 11.271 -6.595 336 HE2 TYR 45 2HE TYR 45 -12.136 15.129 -4.779 337 HH TYR 45 HH TYR 45 -13.004 13.106 -7.523 338 H VAL 46 H VAL 46 -9.700 8.512 -2.009 339 HA VAL 46 HA VAL 46 -8.579 8.327 -4.715 340 HB VAL 46 HB VAL 46 -8.672 6.362 -2.420 341 1HG1 VAL 46 1HG1 VAL 46 -8.984 5.401 -4.794 342 2HG1 VAL 46 2HG1 VAL 46 -7.290 5.876 -5.062 343 3HG1 VAL 46 3HG1 VAL 46 -7.695 4.713 -3.776 344 1HG2 VAL 46 1HG2 VAL 46 -6.987 8.178 -2.240 345 2HG2 VAL 46 2HG2 VAL 46 -6.252 6.567 -2.410 346 3HG2 VAL 46 3HG2 VAL 46 -6.307 7.671 -3.805 347 H GLU 47 H GLU 47 -9.654 7.058 -6.298 348 HA GLU 47 HA GLU 47 -12.365 6.317 -5.514 349 1HB GLU 47 1HB GLU 47 -11.580 7.397 -8.252 350 2HB GLU 47 2HB GLU 47 -13.201 7.103 -7.654 351 1HG GLU 47 1HG GLU 47 -11.708 8.877 -5.848 352 2HG GLU 47 2HG GLU 47 -11.749 9.521 -7.477 353 H GLY 48 H GLY 48 -13.326 4.835 -7.469 354 1HA GLY 48 1HA GLY 48 -13.012 3.063 -8.905 355 2HA GLY 48 2HA GLY 48 -11.288 3.083 -8.590 356 H LEU 49 H LEU 49 -11.835 3.262 -5.563 357 HA LEU 49 HA LEU 49 -11.423 0.695 -4.864 358 1HB LEU 49 1HB LEU 49 -12.719 2.996 -3.446 359 2HB LEU 49 2HB LEU 49 -12.620 1.429 -2.666 360 HG LEU 49 HG LEU 49 -10.198 2.870 -3.767 361 1HD1 LEU 49 1HD1 LEU 49 -11.642 4.002 -1.846 362 2HD1 LEU 49 2HD1 LEU 49 -10.754 2.836 -0.837 363 3HD1 LEU 49 3HD1 LEU 49 -9.863 4.016 -1.827 364 1HD2 LEU 49 1HD2 LEU 49 -9.813 0.521 -3.499 365 2HD2 LEU 49 2HD2 LEU 49 -8.994 1.375 -2.169 366 3HD2 LEU 49 3HD2 LEU 49 -10.534 0.532 -1.872 367 HA PRO 50 HA PRO 50 -15.111 -1.457 -5.487 368 1HB PRO 50 1HB PRO 50 -14.801 -3.561 -3.770 369 2HB PRO 50 2HB PRO 50 -14.035 -3.488 -5.344 370 1HG PRO 50 1HG PRO 50 -12.828 -3.088 -2.676 371 2HG PRO 50 2HG PRO 50 -12.034 -3.439 -4.198 372 1HD PRO 50 1HD PRO 50 -12.165 -0.896 -2.877 373 2HD PRO 50 2HD PRO 50 -11.472 -1.224 -4.453 374 H GLU 51 H GLU 51 -17.202 -2.143 -4.652 375 HA GLU 51 HA GLU 51 -18.157 -0.237 -2.925 376 1HB GLU 51 1HB GLU 51 -20.228 -1.499 -2.943 377 2HB GLU 51 2HB GLU 51 -19.510 -1.612 -4.538 378 1HG GLU 51 1HG GLU 51 -18.361 -3.804 -3.374 379 2HG GLU 51 2HG GLU 51 -19.849 -3.736 -2.449 380 H GLY 52 H GLY 52 -18.758 -0.256 -0.688 381 1HA GLY 52 1HA GLY 52 -18.550 -0.779 1.487 382 2HA GLY 52 2HA GLY 52 -18.498 -2.465 1.013 383 H VAL 53 H VAL 53 -16.084 -0.494 -0.537 384 HA VAL 53 HA VAL 53 -14.118 -1.288 1.494 385 HB VAL 53 HB VAL 53 -13.728 -1.407 -1.501 386 1HG1 VAL 53 1HG1 VAL 53 -11.568 -1.387 -0.888 387 2HG1 VAL 53 2HG1 VAL 53 -11.958 -1.664 0.827 388 3HG1 VAL 53 3HG1 VAL 53 -11.854 -3.041 -0.296 389 1HG2 VAL 53 1HG2 VAL 53 -13.604 -3.995 -0.294 390 2HG2 VAL 53 2HG2 VAL 53 -15.139 -3.231 0.185 391 3HG2 VAL 53 3HG2 VAL 53 -14.727 -3.398 -1.539 392 HA PRO 54 HA PRO 54 -13.674 3.093 0.906 393 1HB PRO 54 1HB PRO 54 -12.879 3.664 3.458 394 2HB PRO 54 2HB PRO 54 -14.557 3.671 2.953 395 1HG PRO 54 1HG PRO 54 -13.116 1.658 4.568 396 2HG PRO 54 2HG PRO 54 -14.844 1.908 4.411 397 1HD PRO 54 1HD PRO 54 -13.288 -0.156 3.166 398 2HD PRO 54 2HD PRO 54 -14.993 0.165 2.919 399 H PHE 55 H PHE 55 -11.764 4.679 1.702 400 HA PHE 55 HA PHE 55 -9.424 3.255 0.707 401 1HB PHE 55 1HB PHE 55 -10.197 5.383 -0.383 402 2HB PHE 55 2HB PHE 55 -10.169 6.206 1.164 403 HD1 PHE 55 1HD PHE 55 -8.657 7.935 0.528 404 HD2 PHE 55 2HD PHE 55 -7.539 3.868 0.061 405 HE1 PHE 55 1HE PHE 55 -6.283 8.636 0.111 406 HE2 PHE 55 2HE PHE 55 -5.165 4.569 -0.355 407 HZ PHE 55 HZ PHE 55 -4.565 6.944 -0.325 408 H ARG 56 H ARG 56 -10.321 2.754 3.447 409 HA ARG 56 HA ARG 56 -8.846 4.377 5.186 410 1HB ARG 56 1HB ARG 56 -10.379 1.797 5.360 411 2HB ARG 56 2HB ARG 56 -9.200 2.076 6.626 412 1HG ARG 56 1HG ARG 56 -10.946 4.414 5.970 413 2HG ARG 56 2HG ARG 56 -11.769 3.042 6.686 414 1HD ARG 56 1HD ARG 56 -9.241 4.272 7.882 415 2HD ARG 56 2HD ARG 56 -10.856 4.766 8.350 416 HE ARG 56 HE ARG 56 -10.871 1.978 8.599 417 1HH1 ARG 56 2HH2 ARG 56 -8.985 4.620 9.957 418 2HH1 ARG 56 1HH2 ARG 56 -8.652 3.790 11.440 419 1HH2 ARG 56 2HH1 ARG 56 -10.431 0.881 10.556 420 2HH2 ARG 56 1HH1 ARG 56 -9.480 1.649 11.783 421 H ARG 57 H ARG 57 -7.317 2.868 6.862 422 HA ARG 57 HA ARG 57 -5.010 2.482 5.379 423 1HB ARG 57 1HB ARG 57 -5.647 1.432 8.183 424 2HB ARG 57 2HB ARG 57 -4.041 1.660 7.519 425 1HG ARG 57 1HG ARG 57 -4.112 3.967 7.748 426 2HG ARG 57 2HG ARG 57 -5.833 4.058 7.429 427 1HD ARG 57 1HD ARG 57 -6.389 3.346 9.678 428 2HD ARG 57 2HD ARG 57 -4.742 2.848 10.006 429 HE ARG 57 HE ARG 57 -4.779 5.641 9.301 430 1HH1 ARG 57 2HH2 ARG 57 -5.627 3.460 11.930 431 2HH1 ARG 57 1HH2 ARG 57 -5.430 4.663 13.161 432 1HH2 ARG 57 2HH1 ARG 57 -4.520 7.227 10.925 433 2HH2 ARG 57 1HH1 ARG 57 -4.797 6.820 12.586 434 HA PRO 58 HA PRO 58 -5.429 -1.709 4.238 435 1HB PRO 58 1HB PRO 58 -2.826 -2.376 3.738 436 2HB PRO 58 2HB PRO 58 -3.828 -1.502 2.596 437 1HG PRO 58 1HG PRO 58 -1.654 -0.477 4.317 438 2HG PRO 58 2HG PRO 58 -2.365 0.256 2.893 439 1HD PRO 58 1HD PRO 58 -2.853 0.984 5.624 440 2HD PRO 58 2HD PRO 58 -3.650 1.638 4.207 441 H SER 59 H SER 59 -3.836 -0.762 7.032 442 HA SER 59 HA SER 59 -3.394 -3.500 7.820 443 1HB SER 59 1HB SER 59 -2.862 -0.887 9.304 444 2HB SER 59 2HB SER 59 -2.383 -2.476 9.865 445 HG SER 59 HG SER 59 -0.742 -1.117 8.639 446 H THR 60 H THR 60 -6.062 -3.220 7.375 447 HA THR 60 HA THR 60 -7.173 -3.649 9.961 448 HB THR 60 HB THR 60 -7.265 -0.957 8.788 449 HG1 THR 60 1HG THR 60 -6.873 -1.283 11.012 450 1HG2 THR 60 1HG2 THR 60 -9.920 -2.180 9.689 451 2HG2 THR 60 2HG2 THR 60 -9.635 -0.514 9.129 452 3HG2 THR 60 3HG2 THR 60 -9.532 -1.869 7.980 453 H PHE 61 H PHE 61 -7.731 -2.974 6.467 454 HA PHE 61 HA PHE 61 -10.190 -4.061 6.161 455 1HB PHE 61 1HB PHE 61 -7.610 -4.267 4.504 456 2HB PHE 61 2HB PHE 61 -9.160 -4.772 3.860 457 HD1 PHE 61 1HD PHE 61 -10.908 -2.615 4.965 458 HD2 PHE 61 2HD PHE 61 -7.068 -2.429 3.169 459 HE1 PHE 61 1HE PHE 61 -11.368 -0.260 4.225 460 HE2 PHE 61 2HE PHE 61 -7.527 -0.075 2.429 461 HZ PHE 61 HZ PHE 61 -9.672 0.981 2.966 462 H GLY 62 H GLY 62 -10.907 -6.199 5.300 463 1HA GLY 62 1HA GLY 62 -9.942 -8.315 6.945 464 2HA GLY 62 2HA GLY 62 -11.178 -8.402 5.706 465 H ILE 63 H ILE 63 -9.335 -10.499 6.022 466 HA ILE 63 HA ILE 63 -7.028 -10.295 4.503 467 HB ILE 63 HB ILE 63 -8.825 -12.642 5.109 468 1HG1 ILE 63 1HG1 ILE 63 -6.200 -11.827 6.383 469 2HG1 ILE 63 2HG1 ILE 63 -7.769 -11.388 7.027 470 1HG2 ILE 63 1HG2 ILE 63 -7.618 -13.353 3.226 471 2HG2 ILE 63 2HG2 ILE 63 -6.132 -12.527 3.754 472 3HG2 ILE 63 3HG2 ILE 63 -6.701 -13.974 4.620 473 1HD1 ILE 63 1HD1 ILE 63 -8.273 -13.988 6.831 474 2HD1 ILE 63 2HD1 ILE 63 -6.498 -14.120 6.824 475 3HD1 ILE 63 3HD1 ILE 63 -7.328 -13.364 8.204 476 HA PRO 64 HA PRO 64 -9.801 -11.482 0.851 477 1HB PRO 64 1HB PRO 64 -12.504 -11.141 1.062 478 2HB PRO 64 2HB PRO 64 -11.710 -12.682 1.317 479 1HG PRO 64 1HG PRO 64 -12.842 -10.826 3.321 480 2HG PRO 64 2HG PRO 64 -12.439 -12.522 3.500 481 1HD PRO 64 1HD PRO 64 -10.927 -10.287 4.473 482 2HD PRO 64 2HD PRO 64 -10.468 -11.977 4.549 483 H ARG 65 H ARG 65 -11.220 -8.848 2.706 484 HA ARG 65 HA ARG 65 -11.914 -7.266 0.639 485 1HB ARG 65 1HB ARG 65 -11.189 -6.886 3.485 486 2HB ARG 65 2HB ARG 65 -10.880 -5.455 2.522 487 1HG ARG 65 1HG ARG 65 -13.261 -5.708 1.580 488 2HG ARG 65 2HG ARG 65 -13.527 -6.949 2.788 489 1HD ARG 65 1HD ARG 65 -12.377 -4.735 4.184 490 2HD ARG 65 2HD ARG 65 -13.578 -4.052 3.106 491 HE ARG 65 HE ARG 65 -14.818 -6.288 4.275 492 1HH1 ARG 65 2HH2 ARG 65 -13.389 -3.278 5.406 493 2HH1 ARG 65 1HH2 ARG 65 -14.410 -3.168 6.801 494 1HH2 ARG 65 2HH1 ARG 65 -16.165 -6.144 6.116 495 2HH2 ARG 65 1HH1 ARG 65 -15.999 -4.810 7.207 496 H LEU 66 H LEU 66 -8.674 -7.728 2.145 497 HA LEU 66 HA LEU 66 -7.317 -5.650 0.968 498 1HB LEU 66 1HB LEU 66 -6.586 -8.363 1.972 499 2HB LEU 66 2HB LEU 66 -5.389 -7.461 1.065 500 HG LEU 66 HG LEU 66 -6.796 -6.187 3.401 501 1HD1 LEU 66 1HD1 LEU 66 -5.295 -8.559 3.617 502 2HD1 LEU 66 2HD1 LEU 66 -4.228 -7.244 4.167 503 3HD1 LEU 66 3HD1 LEU 66 -5.823 -7.472 4.925 504 1HD2 LEU 66 1HD2 LEU 66 -4.815 -4.817 3.528 505 2HD2 LEU 66 2HD2 LEU 66 -4.015 -5.787 2.268 506 3HD2 LEU 66 3HD2 LEU 66 -5.437 -4.798 1.860 507 H GLU 67 H GLU 67 -7.916 -8.987 -0.317 508 HA GLU 67 HA GLU 67 -6.565 -8.492 -2.706 509 1HB GLU 67 1HB GLU 67 -8.463 -10.585 -1.680 510 2HB GLU 67 2HB GLU 67 -8.206 -10.513 -3.412 511 1HG GLU 67 1HG GLU 67 -5.689 -10.320 -1.859 512 2HG GLU 67 2HG GLU 67 -6.555 -11.817 -1.576 513 H LYS 68 H LYS 68 -9.930 -7.984 -1.614 514 HA LYS 68 HA LYS 68 -11.168 -7.669 -4.053 515 1HB LYS 68 1HB LYS 68 -11.694 -6.263 -1.419 516 2HB LYS 68 2HB LYS 68 -12.789 -6.263 -2.786 517 1HG LYS 68 1HG LYS 68 -12.366 -8.946 -2.588 518 2HG LYS 68 2HG LYS 68 -12.080 -8.503 -0.917 519 1HD LYS 68 1HD LYS 68 -14.306 -7.249 -0.951 520 2HD LYS 68 2HD LYS 68 -14.594 -7.914 -2.546 521 1HE LYS 68 1HE LYS 68 -14.831 -10.117 -1.745 522 2HE LYS 68 2HE LYS 68 -13.861 -9.818 -0.316 523 1HZ LYS 68 1HZ LYS 68 -16.375 -9.952 -0.087 524 2HZ LYS 68 2HZ LYS 68 -15.601 -8.756 0.713 525 3HZ LYS 68 3HZ LYS 68 -16.402 -8.427 -0.672 526 H ILE 69 H ILE 69 -9.143 -5.386 -2.156 527 HA ILE 69 HA ILE 69 -9.662 -3.171 -3.820 528 HB ILE 69 HB ILE 69 -7.710 -3.879 -1.684 529 1HG1 ILE 69 1HG1 ILE 69 -9.216 -1.310 -1.814 530 2HG1 ILE 69 2HG1 ILE 69 -10.157 -2.773 -1.600 531 1HG2 ILE 69 1HG2 ILE 69 -6.511 -1.772 -1.963 532 2HG2 ILE 69 2HG2 ILE 69 -6.304 -2.820 -3.387 533 3HG2 ILE 69 3HG2 ILE 69 -7.421 -1.436 -3.455 534 1HD1 ILE 69 1HD1 ILE 69 -8.377 -3.364 0.255 535 2HD1 ILE 69 2HD1 ILE 69 -8.012 -1.623 0.200 536 3HD1 ILE 69 3HD1 ILE 69 -9.651 -2.175 0.619 537 H LEU 70 H LEU 70 -6.690 -5.253 -3.538 538 HA LEU 70 HA LEU 70 -5.295 -4.309 -5.628 539 1HB LEU 70 1HB LEU 70 -5.601 -7.016 -4.415 540 2HB LEU 70 2HB LEU 70 -4.681 -6.873 -5.900 541 HG LEU 70 HG LEU 70 -3.948 -4.915 -3.812 542 1HD1 LEU 70 1HD1 LEU 70 -3.968 -7.834 -3.255 543 2HD1 LEU 70 2HD1 LEU 70 -2.498 -6.934 -2.812 544 3HD1 LEU 70 3HD1 LEU 70 -4.075 -6.446 -2.147 545 1HD2 LEU 70 1HD2 LEU 70 -1.672 -5.569 -4.508 546 2HD2 LEU 70 2HD2 LEU 70 -2.371 -6.805 -5.580 547 3HD2 LEU 70 3HD2 LEU 70 -2.696 -5.081 -5.879 548 H ARG 71 H ARG 71 -7.941 -6.779 -5.806 549 HA ARG 71 HA ARG 71 -7.883 -7.474 -8.332 550 1HB ARG 71 1HB ARG 71 -10.099 -6.894 -6.415 551 2HB ARG 71 2HB ARG 71 -10.596 -6.973 -8.093 552 1HG ARG 71 1HG ARG 71 -10.136 -9.233 -8.275 553 2HG ARG 71 2HG ARG 71 -8.744 -9.148 -7.214 554 1HD ARG 71 1HD ARG 71 -9.990 -9.564 -5.318 555 2HD ARG 71 2HD ARG 71 -11.342 -8.592 -5.863 556 HE ARG 71 HE ARG 71 -11.098 -11.436 -6.145 557 1HH1 ARG 71 2HH2 ARG 71 -12.197 -8.616 -7.940 558 2HH1 ARG 71 1HH2 ARG 71 -13.347 -9.505 -8.881 559 1HH2 ARG 71 2HH1 ARG 71 -12.615 -12.609 -7.387 560 2HH2 ARG 71 1HH1 ARG 71 -13.587 -11.792 -8.565 561 H ASN 72 H ASN 72 -8.976 -4.281 -7.081 562 HA ASN 72 HA ASN 72 -9.262 -3.423 -9.850 563 1HB ASN 72 1HB ASN 72 -10.443 -2.316 -7.253 564 2HB ASN 72 2HB ASN 72 -10.553 -1.463 -8.779 565 1HD2 ASN 72 1HD2 ASN 72 -12.735 -2.342 -7.253 566 2HD2 ASN 72 2HD2 ASN 72 -13.629 -3.526 -8.148 567 H LYS 73 H LYS 73 -6.656 -3.571 -9.167 568 HA LYS 73 HA LYS 73 -5.854 -1.102 -7.861 569 1HB LYS 73 1HB LYS 73 -3.735 -2.068 -7.626 570 2HB LYS 73 2HB LYS 73 -4.848 -3.394 -7.357 571 1HG LYS 73 1HG LYS 73 -4.506 -4.248 -9.615 572 2HG LYS 73 2HG LYS 73 -3.617 -2.814 -10.087 573 1HD LYS 73 1HD LYS 73 -1.679 -3.471 -8.990 574 2HD LYS 73 2HD LYS 73 -2.548 -4.292 -7.709 575 1HE LYS 73 1HE LYS 73 -2.792 -6.273 -8.941 576 2HE LYS 73 2HE LYS 73 -2.742 -5.449 -10.487 577 1HZ LYS 73 1HZ LYS 73 -0.472 -5.941 -8.692 578 2HZ LYS 73 2HZ LYS 73 -0.714 -6.578 -10.176 579 3HZ LYS 73 3HZ LYS 73 -0.379 -4.988 -10.015 580 H ALA 74 H ALA 74 -6.940 -1.932 -10.866 581 HA ALA 74 HA ALA 74 -5.004 -0.171 -12.204 582 1HB ALA 74 1HB ALA 74 -5.505 -2.681 -12.909 583 2HB ALA 74 2HB ALA 74 -6.932 -1.947 -13.680 584 3HB ALA 74 3HB ALA 74 -5.298 -1.413 -14.141 585 H LYS 75 H LYS 75 -8.239 -0.550 -10.993 586 HA LYS 75 HA LYS 75 -9.259 1.515 -12.777 587 1HB LYS 75 1HB LYS 75 -10.723 -0.064 -10.645 588 2HB LYS 75 2HB LYS 75 -11.434 0.949 -11.884 589 1HG LYS 75 1HG LYS 75 -9.598 -1.286 -12.753 590 2HG LYS 75 2HG LYS 75 -11.210 -1.705 -12.209 591 1HD LYS 75 1HD LYS 75 -10.697 0.426 -14.330 592 2HD LYS 75 2HD LYS 75 -10.942 -1.262 -14.731 593 1HE LYS 75 1HE LYS 75 -12.980 -0.041 -12.900 594 2HE LYS 75 2HE LYS 75 -12.980 0.549 -14.551 595 1HZ LYS 75 1HZ LYS 75 -12.789 -2.304 -14.263 596 2HZ LYS 75 2HZ LYS 75 -14.210 -1.651 -13.791 597 3HZ LYS 75 3HZ LYS 75 -13.671 -1.418 -15.315 598 H ILE 76 H ILE 76 -8.079 0.953 -9.490 599 HA ILE 76 HA ILE 76 -9.237 3.071 -8.172 600 HB ILE 76 HB ILE 76 -6.705 1.523 -7.900 601 1HG1 ILE 76 1HG1 ILE 76 -8.920 2.013 -5.900 602 2HG1 ILE 76 2HG1 ILE 76 -9.019 0.767 -7.129 603 1HG2 ILE 76 1HG2 ILE 76 -6.444 2.907 -5.682 604 2HG2 ILE 76 2HG2 ILE 76 -5.726 3.480 -7.207 605 3HG2 ILE 76 3HG2 ILE 76 -7.258 4.177 -6.627 606 1HD1 ILE 76 1HD1 ILE 76 -6.933 1.018 -4.922 607 2HD1 ILE 76 2HD1 ILE 76 -8.128 -0.282 -5.148 608 3HD1 ILE 76 3HD1 ILE 76 -6.768 -0.114 -6.285 609 H LYS 77 H LYS 77 -8.602 5.256 -7.767 610 HA LYS 77 HA LYS 77 -6.469 6.333 -9.390 611 1HB LYS 77 1HB LYS 77 -8.767 6.221 -10.701 612 2HB LYS 77 2HB LYS 77 -9.142 7.641 -9.747 613 1HG LYS 77 1HG LYS 77 -6.608 8.291 -10.560 614 2HG LYS 77 2HG LYS 77 -7.103 7.290 -11.911 615 1HD LYS 77 1HD LYS 77 -9.113 9.306 -10.973 616 2HD LYS 77 2HD LYS 77 -7.670 9.959 -11.722 617 1HE LYS 77 1HE LYS 77 -9.151 7.678 -13.066 618 2HE LYS 77 2HE LYS 77 -9.756 9.315 -13.225 619 1HZ LYS 77 1HZ LYS 77 -6.934 8.860 -13.712 620 2HZ LYS 77 2HZ LYS 77 -7.995 8.373 -14.854 621 3HZ LYS 77 3HZ LYS 77 -7.945 9.942 -14.402 622 H PHE 78 H PHE 78 -5.716 8.365 -8.606 623 HA PHE 78 HA PHE 78 -6.841 9.016 -5.975 624 1HB PHE 78 1HB PHE 78 -4.083 9.023 -7.279 625 2HB PHE 78 2HB PHE 78 -4.372 10.123 -5.946 626 HD1 PHE 78 1HD PHE 78 -5.473 6.598 -6.498 627 HD2 PHE 78 2HD PHE 78 -3.241 9.301 -4.107 628 HE1 PHE 78 1HE PHE 78 -4.981 4.752 -4.870 629 HE2 PHE 78 2HE PHE 78 -2.749 7.455 -2.479 630 HZ PHE 78 HZ PHE 78 -3.625 5.203 -2.880 631 H ILE 79 H ILE 79 -7.841 10.960 -5.767 632 HA ILE 79 HA ILE 79 -7.438 12.886 -7.926 633 HB ILE 79 HB ILE 79 -9.631 12.311 -5.978 634 1HG1 ILE 79 1HG1 ILE 79 -11.004 12.243 -7.934 635 2HG1 ILE 79 2HG1 ILE 79 -9.750 12.951 -8.932 636 1HG2 ILE 79 1HG2 ILE 79 -9.849 14.503 -5.552 637 2HG2 ILE 79 2HG2 ILE 79 -8.822 14.982 -6.924 638 3HG2 ILE 79 3HG2 ILE 79 -10.534 14.575 -7.194 639 1HD1 ILE 79 1HD1 ILE 79 -9.294 10.327 -7.466 640 2HD1 ILE 79 2HD1 ILE 79 -10.064 10.383 -9.069 641 3HD1 ILE 79 3HD1 ILE 79 -8.402 10.983 -8.859 642 H ILE 80 H ILE 80 -6.203 14.662 -7.629 643 HA ILE 80 HA ILE 80 -5.718 15.467 -4.846 644 HB ILE 80 HB ILE 80 -3.718 15.536 -7.106 645 1HG1 ILE 80 1HG1 ILE 80 -4.493 13.227 -6.122 646 2HG1 ILE 80 2HG1 ILE 80 -2.798 13.558 -6.414 647 1HG2 ILE 80 1HG2 ILE 80 -3.384 16.058 -4.139 648 2HG2 ILE 80 2HG2 ILE 80 -2.104 16.100 -5.375 649 3HG2 ILE 80 3HG2 ILE 80 -3.422 17.296 -5.417 650 1HD1 ILE 80 1HD1 ILE 80 -2.454 14.159 -4.051 651 2HD1 ILE 80 2HD1 ILE 80 -4.193 13.960 -3.728 652 3HD1 ILE 80 3HD1 ILE 80 -3.200 12.547 -4.160 653 H LYS 81 H LYS 81 -6.756 17.353 -4.497 654 HA LYS 81 HA LYS 81 -7.223 19.101 -6.764 655 1HB LYS 81 1HB LYS 81 -8.204 19.224 -3.896 656 2HB LYS 81 2HB LYS 81 -8.682 20.319 -5.178 657 1HG LYS 81 1HG LYS 81 -9.453 18.261 -6.508 658 2HG LYS 81 2HG LYS 81 -9.173 17.309 -5.063 659 1HD LYS 81 1HD LYS 81 -10.694 19.172 -3.904 660 2HD LYS 81 2HD LYS 81 -11.242 19.464 -5.542 661 1HE LYS 81 1HE LYS 81 -11.567 16.842 -5.643 662 2HE LYS 81 2HE LYS 81 -11.499 16.928 -3.894 663 1HZ LYS 81 1HZ LYS 81 -13.251 18.770 -5.298 664 2HZ LYS 81 2HZ LYS 81 -13.724 17.215 -5.139 665 3HZ LYS 81 3HZ LYS 81 -13.417 18.115 -3.812 666 H LYS 82 H LYS 82 -5.411 18.953 -3.669 667 HA LYS 82 HA LYS 82 -4.047 21.410 -4.526 668 1HB LYS 82 1HB LYS 82 -4.660 20.524 -1.691 669 2HB LYS 82 2HB LYS 82 -3.723 21.935 -2.138 670 1HG LYS 82 1HG LYS 82 -6.029 22.285 -3.653 671 2HG LYS 82 2HG LYS 82 -6.664 21.521 -2.210 672 1HD LYS 82 1HD LYS 82 -6.322 23.384 -0.942 673 2HD LYS 82 2HD LYS 82 -4.686 23.588 -1.537 674 1HE LYS 82 1HE LYS 82 -5.340 24.978 -3.299 675 2HE LYS 82 2HE LYS 82 -6.921 24.238 -3.445 676 1HZ LYS 82 1HZ LYS 82 -7.124 25.275 -1.047 677 2HZ LYS 82 2HZ LYS 82 -6.055 26.337 -1.675 678 3HZ LYS 82 3HZ LYS 82 -7.503 26.113 -2.396 679 HA PRO 83 HA PRO 83 -0.976 18.168 -4.504 680 1HB PRO 83 1HB PRO 83 0.378 19.002 -6.727 681 2HB PRO 83 2HB PRO 83 -0.928 17.835 -6.782 682 1HG PRO 83 1HG PRO 83 -0.950 20.682 -7.579 683 2HG PRO 83 2HG PRO 83 -2.079 19.413 -8.010 684 1HD PRO 83 1HD PRO 83 -2.490 21.492 -6.078 685 2HD PRO 83 2HD PRO 83 -3.569 20.156 -6.426 686 H GLU 84 H GLU 84 -0.609 21.612 -4.842 687 HA GLU 84 HA GLU 84 2.070 21.741 -4.268 688 1HB GLU 84 1HB GLU 84 1.560 24.086 -3.513 689 2HB GLU 84 2HB GLU 84 0.860 23.684 -5.068 690 1HG GLU 84 1HG GLU 84 -1.333 23.569 -4.215 691 2HG GLU 84 2HG GLU 84 -0.797 23.208 -2.587 692 H MET 85 H MET 85 -0.571 20.731 -2.271 693 HA MET 85 HA MET 85 0.739 21.470 0.172 694 1HB MET 85 1HB MET 85 -1.823 19.980 -0.575 695 2HB MET 85 2HB MET 85 -1.278 20.036 1.090 696 1HG MET 85 1HG MET 85 -1.311 22.530 1.034 697 2HG MET 85 2HG MET 85 -1.804 22.498 -0.648 698 1HE MET 85 1HE MET 85 -2.299 21.319 2.751 699 2HE MET 85 2HE MET 85 -3.946 21.865 3.149 700 3HE MET 85 3HE MET 85 -3.675 20.206 2.563 701 H PHE 86 H PHE 86 0.703 18.810 -2.078 702 HA PHE 86 HA PHE 86 1.426 16.829 -0.129 703 1HB PHE 86 1HB PHE 86 0.802 17.124 -3.035 704 2HB PHE 86 2HB PHE 86 2.071 15.952 -2.743 705 HD1 PHE 86 1HD PHE 86 -1.297 16.841 -1.386 706 HD2 PHE 86 2HD PHE 86 1.435 13.764 -2.422 707 HE1 PHE 86 1HE PHE 86 -3.025 15.114 -0.810 708 HE2 PHE 86 2HE PHE 86 -0.293 12.036 -1.845 709 HZ PHE 86 HZ PHE 86 -2.502 12.732 -1.046 710 H GLU 87 H GLU 87 3.039 19.039 -2.424 711 HA GLU 87 HA GLU 87 5.412 17.934 -2.813 712 1HB GLU 87 1HB GLU 87 4.352 20.509 -2.983 713 2HB GLU 87 2HB GLU 87 5.705 20.726 -1.891 714 1HG GLU 87 1HG GLU 87 6.209 19.050 -4.333 715 2HG GLU 87 2HG GLU 87 5.971 20.766 -4.597 716 H THR 88 H THR 88 4.407 19.662 0.210 717 HA THR 88 HA THR 88 6.748 19.617 1.601 718 HB THR 88 HB THR 88 3.831 19.235 2.423 719 HG1 THR 88 1HG THR 88 4.266 21.513 2.948 720 1HG2 THR 88 1HG2 THR 88 5.619 20.365 4.458 721 2HG2 THR 88 2HG2 THR 88 4.416 19.064 4.628 722 3HG2 THR 88 3HG2 THR 88 6.068 18.683 4.084 723 H ALA 89 H ALA 89 4.319 16.928 1.467 724 HA ALA 89 HA ALA 89 5.772 15.193 3.078 725 1HB ALA 89 1HB ALA 89 4.173 13.619 2.449 726 2HB ALA 89 2HB ALA 89 3.323 15.143 2.099 727 3HB ALA 89 3HB ALA 89 4.082 14.224 0.778 728 H ILE 90 H ILE 90 5.575 15.329 -0.554 729 HA ILE 90 HA ILE 90 7.399 13.391 -1.111 730 HB ILE 90 HB ILE 90 6.929 15.999 -2.560 731 1HG1 ILE 90 1HG1 ILE 90 5.705 13.478 -3.512 732 2HG1 ILE 90 2HG1 ILE 90 5.072 14.085 -1.996 733 1HG2 ILE 90 1HG2 ILE 90 8.779 13.843 -3.081 734 2HG2 ILE 90 2HG2 ILE 90 7.573 13.967 -4.385 735 3HG2 ILE 90 3HG2 ILE 90 8.554 15.385 -3.941 736 1HD1 ILE 90 1HD1 ILE 90 3.943 14.946 -4.150 737 2HD1 ILE 90 2HD1 ILE 90 4.429 16.180 -2.964 738 3HD1 ILE 90 3HD1 ILE 90 5.423 15.899 -4.414 739 H LYS 91 H LYS 91 7.998 16.825 -0.203 740 HA LYS 91 HA LYS 91 10.691 16.932 -0.695 741 1HB LYS 91 1HB LYS 91 8.721 18.453 0.730 742 2HB LYS 91 2HB LYS 91 10.158 18.339 1.727 743 1HG LYS 91 1HG LYS 91 11.563 19.260 -0.013 744 2HG LYS 91 2HG LYS 91 10.315 19.066 -1.227 745 1HD LYS 91 1HD LYS 91 9.821 21.254 -0.800 746 2HD LYS 91 2HD LYS 91 8.998 20.642 0.620 747 1HE LYS 91 1HE LYS 91 10.400 22.021 1.788 748 2HE LYS 91 2HE LYS 91 11.596 20.763 1.549 749 1HZ LYS 91 1HZ LYS 91 11.352 23.309 0.236 750 2HZ LYS 91 2HZ LYS 91 12.691 22.451 0.607 751 3HZ LYS 91 3HZ LYS 91 11.820 22.071 -0.722 752 H GLU 92 H GLU 92 9.313 16.370 2.619 753 HA GLU 92 HA GLU 92 11.539 15.575 3.829 754 1HB GLU 92 1HB GLU 92 8.711 14.498 4.143 755 2HB GLU 92 2HB GLU 92 10.001 14.065 5.246 756 1HG GLU 92 1HG GLU 92 10.311 16.787 5.220 757 2HG GLU 92 2HG GLU 92 8.591 16.684 4.905 758 H SER 93 H SER 93 9.268 13.340 2.072 759 HA SER 93 HA SER 93 10.843 11.095 2.446 760 1HB SER 93 1HB SER 93 8.465 11.859 0.905 761 2HB SER 93 2HB SER 93 9.456 10.718 0.018 762 HG SER 93 HG SER 93 8.512 9.238 1.245 763 H SER 94 H SER 94 12.956 10.929 1.771 764 HA SER 94 HA SER 94 13.469 11.763 -0.973 765 1HB SER 94 1HB SER 94 14.462 13.416 0.577 766 2HB SER 94 2HB SER 94 15.300 12.140 1.438 767 HG SER 94 HG SER 94 16.308 11.638 -0.755 768 H GLY 95 H GLY 95 15.218 10.516 -2.052 769 1HA GLY 95 1HA GLY 95 16.861 8.643 -1.393 770 2HA GLY 95 2HA GLY 95 15.395 7.796 -0.942 771 HA PRO 96 HA PRO 96 15.652 8.320 -5.676 772 1HB PRO 96 1HB PRO 96 18.178 8.382 -6.717 773 2HB PRO 96 2HB PRO 96 17.212 9.821 -6.459 774 1HG PRO 96 1HG PRO 96 19.513 8.827 -4.891 775 2HG PRO 96 2HG PRO 96 18.816 10.435 -4.919 776 1HD PRO 96 1HD PRO 96 18.473 8.451 -2.876 777 2HD PRO 96 2HD PRO 96 17.685 10.014 -2.962 778 H SER 97 H SER 97 15.012 6.184 -4.519 779 HA SER 97 HA SER 97 16.538 4.204 -5.984 780 1HB SER 97 1HB SER 97 15.800 3.974 -3.032 781 2HB SER 97 2HB SER 97 16.450 2.663 -3.996 782 HG SER 97 HG SER 97 18.429 3.489 -3.841 783 H SER 98 H SER 98 15.278 2.161 -6.325 784 HA SER 98 HA SER 98 12.581 2.797 -6.831 785 1HB SER 98 1HB SER 98 14.132 0.180 -7.033 786 2HB SER 98 2HB SER 98 12.479 0.370 -7.584 787 HG SER 98 HG SER 98 13.195 1.999 -9.084 788 H GLY 99 H GLY 99 14.161 0.221 -4.790 789 1HA GLY 99 1HA GLY 99 12.060 -0.881 -3.534 790 2HA GLY 99 2HA GLY 99 13.586 -0.552 -2.739 Start of MODEL 5 1 1H GLY 1 H GLY 1 -8.531 -7.323 15.802 2 1HA GLY 1 1HA GLY 1 -10.481 -6.586 13.756 3 2HA GLY 1 2HA GLY 1 -8.983 -5.767 14.149 4 H SER 2 H SER 2 -6.922 -7.361 13.848 5 HA SER 2 HA SER 2 -7.306 -9.094 11.595 6 1HB SER 2 1HB SER 2 -6.013 -7.929 10.028 7 2HB SER 2 2HB SER 2 -6.907 -6.630 10.792 8 HG SER 2 HG SER 2 -4.822 -6.756 12.326 9 H SER 3 H SER 3 -5.472 -10.553 11.293 10 HA SER 3 HA SER 3 -3.224 -10.201 13.017 11 1HB SER 3 1HB SER 3 -3.520 -12.433 14.135 12 2HB SER 3 2HB SER 3 -4.718 -11.248 14.616 13 HG SER 3 HG SER 3 -5.996 -12.302 12.696 14 H GLY 4 H GLY 4 -2.026 -10.211 11.035 15 1HA GLY 4 1HA GLY 4 -0.563 -11.812 9.950 16 2HA GLY 4 2HA GLY 4 -1.954 -12.846 9.691 17 H SER 5 H SER 5 -3.031 -12.698 7.760 18 HA SER 5 HA SER 5 -3.386 -12.087 5.695 19 1HB SER 5 1HB SER 5 -4.175 -9.638 5.441 20 2HB SER 5 2HB SER 5 -5.050 -10.649 6.573 21 HG SER 5 HG SER 5 -4.567 -8.597 7.526 22 H SER 6 H SER 6 -1.170 -12.532 4.966 23 HA SER 6 HA SER 6 0.494 -10.170 4.743 24 1HB SER 6 1HB SER 6 1.065 -12.844 5.351 25 2HB SER 6 2HB SER 6 1.591 -12.695 3.686 26 HG SER 6 HG SER 6 2.335 -10.746 5.680 27 H GLY 7 H GLY 7 1.918 -10.378 2.498 28 1HA GLY 7 1HA GLY 7 1.931 -10.453 0.228 29 2HA GLY 7 2HA GLY 7 0.392 -11.290 0.236 30 H LEU 8 H LEU 8 -1.621 -10.038 0.502 31 HA LEU 8 HA LEU 8 -1.755 -7.827 -1.090 32 1HB LEU 8 1HB LEU 8 -3.573 -8.576 1.204 33 2HB LEU 8 2HB LEU 8 -3.967 -7.458 -0.086 34 HG LEU 8 HG LEU 8 -5.019 -9.357 -0.817 35 1HD1 LEU 8 1HD1 LEU 8 -3.107 -8.515 -2.396 36 2HD1 LEU 8 2HD1 LEU 8 -2.389 -10.106 -2.045 37 3HD1 LEU 8 3HD1 LEU 8 -4.006 -10.002 -2.780 38 1HD2 LEU 8 1HD2 LEU 8 -4.677 -11.447 -0.074 39 2HD2 LEU 8 2HD2 LEU 8 -2.923 -11.382 -0.372 40 3HD2 LEU 8 3HD2 LEU 8 -3.602 -10.661 1.107 41 H LYS 9 H LYS 9 -1.485 -7.953 2.521 42 HA LYS 9 HA LYS 9 -1.684 -5.366 3.166 43 1HB LYS 9 1HB LYS 9 -0.906 -7.592 4.468 44 2HB LYS 9 2HB LYS 9 0.648 -6.791 4.350 45 1HG LYS 9 1HG LYS 9 -1.267 -4.780 5.083 46 2HG LYS 9 2HG LYS 9 -1.579 -6.171 6.102 47 1HD LYS 9 1HD LYS 9 0.129 -5.392 7.396 48 2HD LYS 9 2HD LYS 9 1.188 -6.064 6.173 49 1HE LYS 9 1HE LYS 9 0.648 -3.676 4.985 50 2HE LYS 9 2HE LYS 9 0.418 -3.200 6.656 51 1HZ LYS 9 1HZ LYS 9 2.825 -4.381 5.470 52 2HZ LYS 9 2HZ LYS 9 2.668 -2.905 6.150 53 3HZ LYS 9 3HZ LYS 9 2.619 -4.243 7.084 54 H GLN 10 H GLN 10 1.058 -6.929 1.464 55 HA GLN 10 HA GLN 10 2.570 -4.512 1.539 56 1HB GLN 10 1HB GLN 10 3.973 -6.375 1.538 57 2HB GLN 10 2HB GLN 10 2.952 -7.287 0.444 58 1HG GLN 10 1HG GLN 10 3.902 -6.362 -1.448 59 2HG GLN 10 2HG GLN 10 4.113 -4.788 -0.708 60 1HE2 GLN 10 1HE2 GLN 10 6.157 -4.264 -0.762 61 2HE2 GLN 10 2HE2 GLN 10 7.509 -5.257 -0.330 62 H LYS 11 H LYS 11 1.020 -6.528 -1.066 63 HA LYS 11 HA LYS 11 1.495 -4.872 -3.180 64 1HB LYS 11 1HB LYS 11 -0.783 -6.748 -2.545 65 2HB LYS 11 2HB LYS 11 -0.718 -5.871 -4.060 66 1HG LYS 11 1HG LYS 11 0.776 -7.357 -4.891 67 2HG LYS 11 2HG LYS 11 1.899 -6.986 -3.598 68 1HD LYS 11 1HD LYS 11 1.536 -9.037 -2.709 69 2HD LYS 11 2HD LYS 11 -0.138 -8.606 -2.421 70 1HE LYS 11 1HE LYS 11 -0.595 -10.331 -3.860 71 2HE LYS 11 2HE LYS 11 -0.248 -9.153 -5.110 72 1HZ LYS 11 1HZ LYS 11 1.126 -10.902 -5.604 73 2HZ LYS 11 2HZ LYS 11 2.145 -9.921 -4.789 74 3HZ LYS 11 3HZ LYS 11 1.505 -11.229 -4.050 75 H VAL 12 H VAL 12 -1.426 -4.832 -1.016 76 HA VAL 12 HA VAL 12 -2.590 -2.600 -2.172 77 HB VAL 12 HB VAL 12 -2.719 -3.476 0.719 78 1HG1 VAL 12 1HG1 VAL 12 -3.754 -1.291 0.264 79 2HG1 VAL 12 2HG1 VAL 12 -4.739 -2.024 -1.025 80 3HG1 VAL 12 3HG1 VAL 12 -4.977 -2.521 0.668 81 1HG2 VAL 12 1HG2 VAL 12 -3.540 -5.420 -0.013 82 2HG2 VAL 12 2HG2 VAL 12 -4.928 -4.514 -0.663 83 3HG2 VAL 12 3HG2 VAL 12 -3.525 -4.860 -1.703 84 H GLU 13 H GLU 13 -0.016 -2.935 0.297 85 HA GLU 13 HA GLU 13 -0.041 -0.323 1.174 86 1HB GLU 13 1HB GLU 13 1.709 -2.658 1.359 87 2HB GLU 13 2HB GLU 13 2.655 -1.187 1.239 88 1HG GLU 13 1HG GLU 13 0.310 -1.410 3.168 89 2HG GLU 13 2HG GLU 13 1.912 -1.963 3.613 90 H ASN 14 H ASN 14 2.350 -1.805 -1.143 91 HA ASN 14 HA ASN 14 3.440 0.559 -1.942 92 1HB ASN 14 1HB ASN 14 3.333 -2.230 -2.934 93 2HB ASN 14 2HB ASN 14 3.520 -1.077 -4.240 94 1HD2 ASN 14 1HD2 ASN 14 5.015 -2.763 -1.726 95 2HD2 ASN 14 2HD2 ASN 14 6.577 -2.016 -1.751 96 H LEU 15 H LEU 15 0.502 -1.198 -3.029 97 HA LEU 15 HA LEU 15 -0.034 -0.023 -5.416 98 1HB LEU 15 1HB LEU 15 -1.535 -1.627 -4.932 99 2HB LEU 15 2HB LEU 15 -1.608 -1.220 -3.229 100 HG LEU 15 HG LEU 15 -3.012 0.781 -3.837 101 1HD1 LEU 15 1HD1 LEU 15 -2.153 0.476 -6.353 102 2HD1 LEU 15 2HD1 LEU 15 -3.673 -0.444 -6.464 103 3HD1 LEU 15 3HD1 LEU 15 -3.699 1.258 -5.944 104 1HD2 LEU 15 1HD2 LEU 15 -3.754 -2.043 -3.880 105 2HD2 LEU 15 2HD2 LEU 15 -4.512 -0.666 -3.046 106 3HD2 LEU 15 3HD2 LEU 15 -4.915 -1.008 -4.745 107 H PHE 16 H PHE 16 -1.361 1.191 -2.253 108 HA PHE 16 HA PHE 16 -2.340 3.551 -3.201 109 1HB PHE 16 1HB PHE 16 -0.917 2.868 -0.558 110 2HB PHE 16 2HB PHE 16 -1.942 4.274 -0.765 111 HD1 PHE 16 1HD PHE 16 -2.153 1.774 1.139 112 HD2 PHE 16 2HD PHE 16 -4.083 2.904 -2.468 113 HE1 PHE 16 1HE PHE 16 -4.157 0.408 1.783 114 HE2 PHE 16 2HE PHE 16 -6.087 1.537 -1.823 115 HZ PHE 16 HZ PHE 16 -6.100 0.306 0.295 116 H ASN 17 H ASN 17 0.874 3.135 -1.536 117 HA ASN 17 HA ASN 17 1.825 5.590 -1.757 118 1HB ASN 17 1HB ASN 17 3.309 2.977 -2.345 119 2HB ASN 17 2HB ASN 17 4.131 4.503 -2.083 120 1HD2 ASN 17 1HD2 ASN 17 4.713 4.994 -0.111 121 2HD2 ASN 17 2HD2 ASN 17 4.093 4.327 1.363 122 H GLU 18 H GLU 18 2.388 2.990 -4.263 123 HA GLU 18 HA GLU 18 3.611 4.462 -6.138 124 1HB GLU 18 1HB GLU 18 2.016 1.994 -6.081 125 2HB GLU 18 2HB GLU 18 1.898 2.803 -7.631 126 1HG GLU 18 1HG GLU 18 4.660 2.756 -6.559 127 2HG GLU 18 2HG GLU 18 3.998 1.153 -6.812 128 H LYS 19 H LYS 19 0.014 3.895 -6.005 129 HA LYS 19 HA LYS 19 -0.715 5.509 -8.069 130 1HB LYS 19 1HB LYS 19 -2.140 4.992 -5.444 131 2HB LYS 19 2HB LYS 19 -2.887 5.746 -6.838 132 1HG LYS 19 1HG LYS 19 -1.625 2.963 -6.797 133 2HG LYS 19 2HG LYS 19 -3.345 3.297 -6.761 134 1HD LYS 19 1HD LYS 19 -2.430 4.763 -8.985 135 2HD LYS 19 2HD LYS 19 -1.496 3.282 -9.053 136 1HE LYS 19 1HE LYS 19 -3.744 2.028 -8.704 137 2HE LYS 19 2HE LYS 19 -4.531 3.561 -9.025 138 1HZ LYS 19 1HZ LYS 19 -2.510 2.861 -10.924 139 2HZ LYS 19 2HZ LYS 19 -3.780 1.835 -10.899 140 3HZ LYS 19 3HZ LYS 19 -4.022 3.427 -11.171 141 H CYS 20 H CYS 20 -0.320 6.483 -4.593 142 HA CYS 20 HA CYS 20 -0.983 9.066 -4.726 143 1HB CYS 20 1HB CYS 20 0.318 7.488 -2.889 144 2HB CYS 20 2HB CYS 20 1.563 8.655 -3.287 145 HG CYS 20 HG CYS 20 0.531 10.704 -2.477 146 H GLY 21 H GLY 21 2.463 7.942 -5.137 147 1HA GLY 21 1HA GLY 21 3.584 10.227 -6.086 148 2HA GLY 21 2HA GLY 21 4.074 8.614 -6.566 149 H GLU 22 H GLU 22 1.693 7.769 -7.953 150 HA GLU 22 HA GLU 22 2.219 8.935 -10.430 151 1HB GLU 22 1HB GLU 22 0.503 6.800 -9.336 152 2HB GLU 22 2HB GLU 22 -0.235 7.620 -10.697 153 1HG GLU 22 1HG GLU 22 2.633 7.053 -11.137 154 2HG GLU 22 2HG GLU 22 1.698 5.599 -10.849 155 H ALA 23 H ALA 23 -0.233 9.508 -7.899 156 HA ALA 23 HA ALA 23 -2.029 10.991 -9.446 157 1HB ALA 23 1HB ALA 23 -1.686 11.773 -6.610 158 2HB ALA 23 2HB ALA 23 -3.129 11.181 -7.468 159 3HB ALA 23 3HB ALA 23 -1.909 10.027 -6.878 160 H LEU 24 H LEU 24 1.005 11.831 -7.721 161 HA LEU 24 HA LEU 24 0.654 14.632 -8.174 162 1HB LEU 24 1HB LEU 24 2.921 12.931 -7.151 163 2HB LEU 24 2HB LEU 24 3.076 14.660 -7.390 164 HG LEU 24 HG LEU 24 2.614 14.135 -5.061 165 1HD1 LEU 24 1HD1 LEU 24 1.542 16.068 -4.907 166 2HD1 LEU 24 2HD1 LEU 24 1.192 15.985 -6.650 167 3HD1 LEU 24 3HD1 LEU 24 0.030 15.321 -5.477 168 1HD2 LEU 24 1HD2 LEU 24 1.411 12.023 -5.393 169 2HD2 LEU 24 2HD2 LEU 24 0.514 13.137 -4.332 170 3HD2 LEU 24 3HD2 LEU 24 0.010 12.921 -6.026 171 H GLY 25 H GLY 25 1.653 11.910 -10.055 172 1HA GLY 25 1HA GLY 25 2.008 12.042 -12.346 173 2HA GLY 25 2HA GLY 25 2.486 13.721 -12.197 174 H LEU 26 H LEU 26 3.641 10.896 -10.255 175 HA LEU 26 HA LEU 26 6.315 11.424 -11.354 176 1HB LEU 26 1HB LEU 26 5.569 10.467 -8.586 177 2HB LEU 26 2HB LEU 26 7.199 10.679 -9.195 178 HG LEU 26 HG LEU 26 5.156 12.887 -8.823 179 1HD1 LEU 26 1HD1 LEU 26 5.739 12.743 -6.674 180 2HD1 LEU 26 2HD1 LEU 26 7.112 11.665 -7.024 181 3HD1 LEU 26 3HD1 LEU 26 7.302 13.428 -7.179 182 1HD2 LEU 26 1HD2 LEU 26 6.671 13.332 -10.700 183 2HD2 LEU 26 2HD2 LEU 26 6.968 14.434 -9.334 184 3HD2 LEU 26 3HD2 LEU 26 8.071 13.069 -9.633 185 H LYS 27 H LYS 27 7.781 9.368 -11.040 186 HA LYS 27 HA LYS 27 6.198 7.131 -12.074 187 1HB LYS 27 1HB LYS 27 9.047 8.025 -12.500 188 2HB LYS 27 2HB LYS 27 8.557 6.378 -12.843 189 1HG LYS 27 1HG LYS 27 7.977 7.203 -14.896 190 2HG LYS 27 2HG LYS 27 6.526 7.757 -14.083 191 1HD LYS 27 1HD LYS 27 7.106 9.868 -14.683 192 2HD LYS 27 2HD LYS 27 8.400 9.771 -13.505 193 1HE LYS 27 1HE LYS 27 10.033 9.375 -15.112 194 2HE LYS 27 2HE LYS 27 8.945 8.488 -16.162 195 1HZ LYS 27 1HZ LYS 27 9.347 10.519 -17.193 196 2HZ LYS 27 2HZ LYS 27 7.849 10.686 -16.564 197 3HZ LYS 27 3HZ LYS 27 9.126 11.393 -15.832 198 H GLN 28 H GLN 28 7.765 8.311 -9.277 199 HA GLN 28 HA GLN 28 8.382 5.623 -8.380 200 1HB GLN 28 1HB GLN 28 9.635 6.675 -6.584 201 2HB GLN 28 2HB GLN 28 10.088 7.441 -8.093 202 1HG GLN 28 1HG GLN 28 8.055 9.096 -7.426 203 2HG GLN 28 2HG GLN 28 8.461 8.546 -5.813 204 1HE2 GLN 28 1HE2 GLN 28 9.125 10.650 -5.299 205 2HE2 GLN 28 2HE2 GLN 28 10.661 11.283 -5.787 206 H ALA 29 H ALA 29 7.981 5.719 -5.665 207 HA ALA 29 HA ALA 29 5.073 6.026 -5.529 208 1HB ALA 29 1HB ALA 29 6.569 4.641 -3.364 209 2HB ALA 29 2HB ALA 29 5.071 4.171 -4.203 210 3HB ALA 29 3HB ALA 29 6.651 3.875 -4.968 211 H VAL 30 H VAL 30 4.093 7.083 -3.698 212 HA VAL 30 HA VAL 30 5.938 8.657 -2.066 213 HB VAL 30 HB VAL 30 3.556 9.767 -3.564 214 1HG1 VAL 30 1HG1 VAL 30 3.757 10.892 -1.457 215 2HG1 VAL 30 2HG1 VAL 30 5.521 11.044 -1.638 216 3HG1 VAL 30 3HG1 VAL 30 4.434 11.966 -2.704 217 1HG2 VAL 30 1HG2 VAL 30 6.532 9.946 -4.050 218 2HG2 VAL 30 2HG2 VAL 30 5.232 9.521 -5.190 219 3HG2 VAL 30 3HG2 VAL 30 5.414 11.202 -4.633 220 H LYS 31 H LYS 31 5.426 8.499 0.060 221 HA LYS 31 HA LYS 31 3.615 6.810 1.077 222 1HB LYS 31 1HB LYS 31 5.422 8.584 2.099 223 2HB LYS 31 2HB LYS 31 3.919 9.296 2.650 224 1HG LYS 31 1HG LYS 31 3.370 6.715 3.264 225 2HG LYS 31 2HG LYS 31 5.119 6.622 3.332 226 1HD LYS 31 1HD LYS 31 4.445 7.198 5.553 227 2HD LYS 31 2HD LYS 31 5.057 8.689 4.865 228 1HE LYS 31 1HE LYS 31 3.058 9.514 5.684 229 2HE LYS 31 2HE LYS 31 2.473 8.973 4.123 230 1HZ LYS 31 1HZ LYS 31 1.225 7.475 5.119 231 2HZ LYS 31 2HZ LYS 31 2.473 6.853 5.970 232 3HZ LYS 31 3HZ LYS 31 1.626 8.116 6.567 233 H VAL 32 H VAL 32 1.517 7.138 2.233 234 HA VAL 32 HA VAL 32 -0.148 8.963 0.653 235 HB VAL 32 HB VAL 32 -0.685 6.358 2.071 236 1HG1 VAL 32 1HG1 VAL 32 -3.052 7.043 0.808 237 2HG1 VAL 32 2HG1 VAL 32 -2.738 7.120 2.558 238 3HG1 VAL 32 3HG1 VAL 32 -2.532 8.574 1.551 239 1HG2 VAL 32 1HG2 VAL 32 -0.171 5.600 0.020 240 2HG2 VAL 32 2HG2 VAL 32 -1.758 6.242 -0.470 241 3HG2 VAL 32 3HG2 VAL 32 -0.290 7.220 -0.708 242 HA PRO 33 HA PRO 33 -0.309 11.117 4.489 243 1HB PRO 33 1HB PRO 33 -1.211 13.489 3.475 244 2HB PRO 33 2HB PRO 33 0.489 13.078 3.584 245 1HG PRO 33 1HG PRO 33 -1.255 13.130 1.198 246 2HG PRO 33 2HG PRO 33 0.496 13.143 1.279 247 1HD PRO 33 1HD PRO 33 -1.174 10.908 0.613 248 2HD PRO 33 2HD PRO 33 0.567 10.894 0.808 249 H PHE 34 H PHE 34 -2.031 9.294 4.667 250 HA PHE 34 HA PHE 34 -4.605 9.591 4.078 251 1HB PHE 34 1HB PHE 34 -3.202 8.823 6.698 252 2HB PHE 34 2HB PHE 34 -4.927 8.586 6.496 253 HD1 PHE 34 1HD PHE 34 -5.719 7.070 4.615 254 HD2 PHE 34 2HD PHE 34 -1.667 7.249 5.862 255 HE1 PHE 34 1HE PHE 34 -5.287 4.847 3.531 256 HE2 PHE 34 2HE PHE 34 -1.235 5.027 4.778 257 HZ PHE 34 HZ PHE 34 -3.050 3.853 3.626 258 H ALA 35 H ALA 35 -2.763 11.606 6.347 259 HA ALA 35 HA ALA 35 -4.975 12.692 7.710 260 1HB ALA 35 1HB ALA 35 -2.814 14.560 7.586 261 2HB ALA 35 2HB ALA 35 -3.251 13.466 8.920 262 3HB ALA 35 3HB ALA 35 -2.111 12.927 7.664 263 H LEU 36 H LEU 36 -2.915 14.011 5.014 264 HA LEU 36 HA LEU 36 -4.289 16.310 4.558 265 1HB LEU 36 1HB LEU 36 -2.815 14.434 2.730 266 2HB LEU 36 2HB LEU 36 -3.551 15.902 2.119 267 HG LEU 36 HG LEU 36 -1.441 15.766 4.291 268 1HD1 LEU 36 1HD1 LEU 36 0.155 16.452 2.718 269 2HD1 LEU 36 2HD1 LEU 36 -0.766 15.169 1.897 270 3HD1 LEU 36 3HD1 LEU 36 -1.082 16.877 1.510 271 1HD2 LEU 36 1HD2 LEU 36 -3.244 17.894 3.445 272 2HD2 LEU 36 2HD2 LEU 36 -2.183 17.785 4.869 273 3HD2 LEU 36 3HD2 LEU 36 -1.531 18.358 3.315 274 H PHE 37 H PHE 37 -5.294 12.984 3.937 275 HA PHE 37 HA PHE 37 -7.430 13.804 2.190 276 1HB PHE 37 1HB PHE 37 -6.404 11.247 3.521 277 2HB PHE 37 2HB PHE 37 -7.958 11.231 2.710 278 HD1 PHE 37 1HD PHE 37 -8.100 11.090 0.352 279 HD2 PHE 37 2HD PHE 37 -4.340 11.793 2.190 280 HE1 PHE 37 1HE PHE 37 -6.951 10.675 -1.840 281 HE2 PHE 37 2HE PHE 37 -3.191 11.377 -0.003 282 HZ PHE 37 HZ PHE 37 -4.510 10.823 -1.992 283 H GLU 38 H GLU 38 -6.968 12.743 5.601 284 HA GLU 38 HA GLU 38 -9.722 12.599 6.124 285 1HB GLU 38 1HB GLU 38 -9.091 11.975 8.267 286 2HB GLU 38 2HB GLU 38 -7.612 11.611 7.402 287 1HG GLU 38 1HG GLU 38 -6.657 13.809 8.046 288 2HG GLU 38 2HG GLU 38 -8.154 14.249 8.844 289 H SER 39 H SER 39 -7.172 15.101 6.710 290 HA SER 39 HA SER 39 -8.957 16.859 7.973 291 1HB SER 39 1HB SER 39 -6.175 17.089 6.807 292 2HB SER 39 2HB SER 39 -7.020 18.542 7.301 293 HG SER 39 HG SER 39 -6.158 18.039 9.215 294 H PHE 40 H PHE 40 -7.750 16.419 4.609 295 HA PHE 40 HA PHE 40 -9.830 18.301 3.754 296 1HB PHE 40 1HB PHE 40 -7.098 17.826 2.436 297 2HB PHE 40 2HB PHE 40 -8.220 19.123 2.073 298 HD1 PHE 40 1HD PHE 40 -5.202 18.519 3.524 299 HD2 PHE 40 2HD PHE 40 -8.863 20.472 4.410 300 HE1 PHE 40 1HE PHE 40 -4.013 20.005 5.161 301 HE2 PHE 40 2HE PHE 40 -7.675 21.958 6.047 302 HZ PHE 40 HZ PHE 40 -5.264 21.707 6.403 303 HA PRO 41 HA PRO 41 -10.251 14.278 1.672 304 1HB PRO 41 1HB PRO 41 -12.832 13.738 2.389 305 2HB PRO 41 2HB PRO 41 -11.445 13.119 3.264 306 1HG PRO 41 1HG PRO 41 -13.287 15.305 4.018 307 2HG PRO 41 2HG PRO 41 -12.184 14.399 5.034 308 1HD PRO 41 1HD PRO 41 -11.809 17.065 4.043 309 2HD PRO 41 2HD PRO 41 -10.657 16.116 4.962 310 H GLU 42 H GLU 42 -12.124 17.160 1.777 311 HA GLU 42 HA GLU 42 -13.517 16.518 -0.611 312 1HB GLU 42 1HB GLU 42 -13.931 18.296 1.450 313 2HB GLU 42 2HB GLU 42 -13.316 19.373 0.212 314 1HG GLU 42 1HG GLU 42 -15.082 17.857 -1.268 315 2HG GLU 42 2HG GLU 42 -15.876 17.842 0.293 316 H ASP 43 H ASP 43 -10.311 17.144 -0.051 317 HA ASP 43 HA ASP 43 -10.066 18.597 -2.568 318 1HB ASP 43 1HB ASP 43 -8.200 18.487 -0.153 319 2HB ASP 43 2HB ASP 43 -7.755 19.226 -1.679 320 H PHE 44 H PHE 44 -8.846 15.989 -0.392 321 HA PHE 44 HA PHE 44 -7.591 14.753 -2.741 322 1HB PHE 44 1HB PHE 44 -6.766 14.609 0.220 323 2HB PHE 44 2HB PHE 44 -5.872 13.919 -1.120 324 HD1 PHE 44 1HD PHE 44 -5.131 15.657 -2.969 325 HD2 PHE 44 2HD PHE 44 -6.125 16.677 1.029 326 HE1 PHE 44 1HE PHE 44 -3.812 17.782 -3.182 327 HE2 PHE 44 2HE PHE 44 -4.806 18.802 0.815 328 HZ PHE 44 HZ PHE 44 -3.665 19.329 -1.288 329 H TYR 45 H TYR 45 -8.594 12.882 -3.290 330 HA TYR 45 HA TYR 45 -9.367 11.053 -1.187 331 1HB TYR 45 1HB TYR 45 -11.712 10.969 -2.114 332 2HB TYR 45 2HB TYR 45 -11.344 12.584 -1.540 333 HD1 TYR 45 1HD TYR 45 -11.452 14.452 -2.996 334 HD2 TYR 45 2HD TYR 45 -11.540 10.494 -4.619 335 HE1 TYR 45 1HE TYR 45 -12.058 15.394 -5.278 336 HE2 TYR 45 2HE TYR 45 -12.146 11.449 -6.896 337 HH TYR 45 HH TYR 45 -12.795 13.235 -7.981 338 H VAL 46 H VAL 46 -9.822 8.884 -2.010 339 HA VAL 46 HA VAL 46 -8.598 8.509 -4.648 340 HB VAL 46 HB VAL 46 -8.911 6.597 -2.324 341 1HG1 VAL 46 1HG1 VAL 46 -7.756 4.989 -3.541 342 2HG1 VAL 46 2HG1 VAL 46 -8.794 5.726 -4.785 343 3HG1 VAL 46 3HG1 VAL 46 -7.077 6.181 -4.675 344 1HG2 VAL 46 1HG2 VAL 46 -7.312 8.101 -1.563 345 2HG2 VAL 46 2HG2 VAL 46 -6.311 6.874 -2.377 346 3HG2 VAL 46 3HG2 VAL 46 -6.673 8.413 -3.195 347 H GLU 47 H GLU 47 -9.602 7.125 -6.192 348 HA GLU 47 HA GLU 47 -12.359 6.466 -5.510 349 1HB GLU 47 1HB GLU 47 -11.451 7.416 -8.257 350 2HB GLU 47 2HB GLU 47 -13.098 7.163 -7.713 351 1HG GLU 47 1HG GLU 47 -11.669 9.006 -5.927 352 2HG GLU 47 2HG GLU 47 -11.625 9.574 -7.584 353 H GLY 48 H GLY 48 -13.253 4.881 -7.391 354 1HA GLY 48 1HA GLY 48 -12.898 3.043 -8.732 355 2HA GLY 48 2HA GLY 48 -11.183 3.087 -8.379 356 H LEU 49 H LEU 49 -11.777 3.404 -5.380 357 HA LEU 49 HA LEU 49 -11.367 0.894 -4.534 358 1HB LEU 49 1HB LEU 49 -12.751 3.240 -3.288 359 2HB LEU 49 2HB LEU 49 -12.675 1.717 -2.425 360 HG LEU 49 HG LEU 49 -10.292 3.308 -3.416 361 1HD1 LEU 49 1HD1 LEU 49 -11.855 3.949 -1.298 362 2HD1 LEU 49 2HD1 LEU 49 -10.690 2.849 -0.523 363 3HD1 LEU 49 3HD1 LEU 49 -10.111 4.287 -1.398 364 1HD2 LEU 49 1HD2 LEU 49 -9.651 1.034 -3.478 365 2HD2 LEU 49 2HD2 LEU 49 -9.011 1.685 -1.949 366 3HD2 LEU 49 3HD2 LEU 49 -10.478 0.676 -1.942 367 HA PRO 50 HA PRO 50 -14.985 -1.370 -5.178 368 1HB PRO 50 1HB PRO 50 -14.698 -3.375 -3.343 369 2HB PRO 50 2HB PRO 50 -13.873 -3.366 -4.889 370 1HG PRO 50 1HG PRO 50 -12.778 -2.802 -2.202 371 2HG PRO 50 2HG PRO 50 -11.920 -3.213 -3.673 372 1HD PRO 50 1HD PRO 50 -12.153 -0.609 -2.493 373 2HD PRO 50 2HD PRO 50 -11.394 -1.002 -4.023 374 H GLU 51 H GLU 51 -17.136 -1.422 -4.708 375 HA GLU 51 HA GLU 51 -18.002 0.322 -2.815 376 1HB GLU 51 1HB GLU 51 -19.299 -0.731 -4.754 377 2HB GLU 51 2HB GLU 51 -19.551 -2.134 -3.735 378 1HG GLU 51 1HG GLU 51 -21.494 -0.659 -3.543 379 2HG GLU 51 2HG GLU 51 -20.644 -0.677 -2.010 380 H GLY 52 H GLY 52 -18.224 0.294 -0.609 381 1HA GLY 52 1HA GLY 52 -18.722 -0.656 1.437 382 2HA GLY 52 2HA GLY 52 -18.515 -2.262 0.767 383 H VAL 53 H VAL 53 -15.944 -0.397 -0.384 384 HA VAL 53 HA VAL 53 -14.279 -1.131 1.923 385 HB VAL 53 HB VAL 53 -13.687 -1.388 -1.031 386 1HG1 VAL 53 1HG1 VAL 53 -11.610 -0.770 -0.243 387 2HG1 VAL 53 2HG1 VAL 53 -11.902 -1.438 1.381 388 3HG1 VAL 53 3HG1 VAL 53 -11.549 -2.529 0.019 389 1HG2 VAL 53 1HG2 VAL 53 -13.284 -3.736 0.661 390 2HG2 VAL 53 2HG2 VAL 53 -14.967 -3.157 0.693 391 3HG2 VAL 53 3HG2 VAL 53 -14.195 -3.562 -0.859 392 HA PRO 54 HA PRO 54 -13.680 3.227 1.473 393 1HB PRO 54 1HB PRO 54 -12.956 3.704 4.065 394 2HB PRO 54 2HB PRO 54 -14.618 3.742 3.511 395 1HG PRO 54 1HG PRO 54 -13.241 1.662 5.097 396 2HG PRO 54 2HG PRO 54 -14.961 1.932 4.899 397 1HD PRO 54 1HD PRO 54 -13.386 -0.101 3.630 398 2HD PRO 54 2HD PRO 54 -15.080 0.243 3.345 399 H PHE 55 H PHE 55 -11.824 4.800 2.068 400 HA PHE 55 HA PHE 55 -9.471 3.412 1.146 401 1HB PHE 55 1HB PHE 55 -10.356 5.696 0.342 402 2HB PHE 55 2HB PHE 55 -10.012 6.337 1.936 403 HD1 PHE 55 1HD PHE 55 -8.002 4.083 -0.257 404 HD2 PHE 55 2HD PHE 55 -8.271 7.840 1.696 405 HE1 PHE 55 1HE PHE 55 -5.661 4.627 -0.980 406 HE2 PHE 55 2HE PHE 55 -5.930 8.384 0.973 407 HZ PHE 55 HZ PHE 55 -4.653 6.771 -0.357 408 H ARG 56 H ARG 56 -9.819 2.247 3.499 409 HA ARG 56 HA ARG 56 -8.518 3.832 5.515 410 1HB ARG 56 1HB ARG 56 -10.068 1.255 5.440 411 2HB ARG 56 2HB ARG 56 -8.863 1.397 6.704 412 1HG ARG 56 1HG ARG 56 -10.690 3.751 6.289 413 2HG ARG 56 2HG ARG 56 -11.394 2.313 7.002 414 1HD ARG 56 1HD ARG 56 -8.931 2.640 8.364 415 2HD ARG 56 2HD ARG 56 -9.560 4.268 8.203 416 HE ARG 56 HE ARG 56 -11.554 2.303 9.101 417 1HH1 ARG 56 2HH2 ARG 56 -9.094 4.614 10.096 418 2HH1 ARG 56 1HH2 ARG 56 -9.743 4.813 11.689 419 1HH2 ARG 56 2HH1 ARG 56 -12.411 2.565 11.203 420 2HH2 ARG 56 1HH1 ARG 56 -11.643 3.640 12.323 421 H ARG 57 H ARG 57 -6.940 2.176 6.961 422 HA ARG 57 HA ARG 57 -4.735 1.831 5.269 423 1HB ARG 57 1HB ARG 57 -5.126 0.831 8.135 424 2HB ARG 57 2HB ARG 57 -3.586 1.034 7.325 425 1HG ARG 57 1HG ARG 57 -3.688 3.384 7.403 426 2HG ARG 57 2HG ARG 57 -5.439 3.414 7.481 427 1HD ARG 57 1HD ARG 57 -5.311 3.597 9.739 428 2HD ARG 57 2HD ARG 57 -4.592 2.000 9.812 429 HE ARG 57 HE ARG 57 -3.193 4.549 10.060 430 1HH1 ARG 57 2HH2 ARG 57 -2.823 1.174 9.137 431 2HH1 ARG 57 1HH2 ARG 57 -1.117 1.146 9.438 432 1HH2 ARG 57 2HH1 ARG 57 -0.943 4.513 10.457 433 2HH2 ARG 57 1HH1 ARG 57 -0.041 3.058 10.194 434 HA PRO 58 HA PRO 58 -5.301 -2.372 4.241 435 1HB PRO 58 1HB PRO 58 -2.760 -3.083 3.531 436 2HB PRO 58 2HB PRO 58 -3.845 -2.214 2.464 437 1HG PRO 58 1HG PRO 58 -1.518 -1.193 3.974 438 2HG PRO 58 2HG PRO 58 -2.340 -0.472 2.605 439 1HD PRO 58 1HD PRO 58 -2.581 0.306 5.355 440 2HD PRO 58 2HD PRO 58 -3.489 0.949 4.001 441 H SER 59 H SER 59 -3.096 -1.479 6.713 442 HA SER 59 HA SER 59 -2.762 -4.184 7.551 443 1HB SER 59 1HB SER 59 -1.230 -3.341 9.112 444 2HB SER 59 2HB SER 59 -1.110 -2.169 7.815 445 HG SER 59 HG SER 59 -2.341 -1.911 10.384 446 H THR 60 H THR 60 -5.437 -3.944 7.421 447 HA THR 60 HA THR 60 -6.255 -4.257 10.130 448 HB THR 60 HB THR 60 -6.354 -1.608 9.035 449 HG1 THR 60 1HG THR 60 -6.271 -1.845 11.265 450 1HG2 THR 60 1HG2 THR 60 -9.083 -2.955 9.380 451 2HG2 THR 60 2HG2 THR 60 -8.834 -1.194 9.427 452 3HG2 THR 60 3HG2 THR 60 -8.498 -2.100 7.933 453 H PHE 61 H PHE 61 -7.184 -3.759 6.688 454 HA PHE 61 HA PHE 61 -9.656 -4.928 6.765 455 1HB PHE 61 1HB PHE 61 -7.344 -4.942 4.746 456 2HB PHE 61 2HB PHE 61 -8.912 -5.601 4.326 457 HD1 PHE 61 1HD PHE 61 -7.116 -3.021 3.466 458 HD2 PHE 61 2HD PHE 61 -10.750 -3.665 5.561 459 HE1 PHE 61 1HE PHE 61 -7.902 -0.730 2.806 460 HE2 PHE 61 2HE PHE 61 -11.536 -1.375 4.900 461 HZ PHE 61 HZ PHE 61 -10.103 0.065 3.531 462 H GLY 62 H GLY 62 -10.098 -7.136 5.462 463 1HA GLY 62 1HA GLY 62 -8.840 -9.207 7.085 464 2HA GLY 62 2HA GLY 62 -10.272 -9.351 6.085 465 H ILE 63 H ILE 63 -8.747 -11.430 5.684 466 HA ILE 63 HA ILE 63 -6.564 -11.054 3.936 467 HB ILE 63 HB ILE 63 -8.243 -13.395 4.781 468 1HG1 ILE 63 1HG1 ILE 63 -5.279 -13.177 5.120 469 2HG1 ILE 63 2HG1 ILE 63 -6.298 -12.159 6.118 470 1HG2 ILE 63 1HG2 ILE 63 -7.758 -14.424 2.859 471 2HG2 ILE 63 2HG2 ILE 63 -6.561 -13.194 2.390 472 3HG2 ILE 63 3HG2 ILE 63 -6.094 -14.518 3.484 473 1HD1 ILE 63 1HD1 ILE 63 -5.647 -14.640 6.879 474 2HD1 ILE 63 2HD1 ILE 63 -7.250 -13.960 7.247 475 3HD1 ILE 63 3HD1 ILE 63 -7.049 -15.066 5.867 476 HA PRO 64 HA PRO 64 -9.885 -11.905 0.668 477 1HB PRO 64 1HB PRO 64 -12.520 -11.613 1.331 478 2HB PRO 64 2HB PRO 64 -11.704 -13.164 1.309 479 1HG PRO 64 1HG PRO 64 -12.498 -11.520 3.635 480 2HG PRO 64 2HG PRO 64 -12.081 -13.222 3.584 481 1HD PRO 64 1HD PRO 64 -10.424 -11.076 4.519 482 2HD PRO 64 2HD PRO 64 -9.967 -12.760 4.360 483 H ARG 65 H ARG 65 -11.255 -9.529 2.899 484 HA ARG 65 HA ARG 65 -12.100 -7.765 1.061 485 1HB ARG 65 1HB ARG 65 -11.764 -7.786 3.830 486 2HB ARG 65 2HB ARG 65 -10.702 -6.477 3.350 487 1HG ARG 65 1HG ARG 65 -12.759 -5.698 1.870 488 2HG ARG 65 2HG ARG 65 -13.695 -6.730 2.934 489 1HD ARG 65 1HD ARG 65 -11.822 -4.537 3.944 490 2HD ARG 65 2HD ARG 65 -13.536 -4.292 3.674 491 HE ARG 65 HE ARG 65 -13.176 -6.616 5.322 492 1HH1 ARG 65 2HH2 ARG 65 -12.902 -3.111 5.464 493 2HH1 ARG 65 1HH2 ARG 65 -13.205 -3.028 7.167 494 1HH2 ARG 65 2HH1 ARG 65 -13.577 -6.508 7.569 495 2HH2 ARG 65 1HH1 ARG 65 -13.592 -4.973 8.373 496 H LEU 66 H LEU 66 -8.763 -8.399 2.177 497 HA LEU 66 HA LEU 66 -7.562 -6.093 1.170 498 1HB LEU 66 1HB LEU 66 -6.677 -8.818 1.978 499 2HB LEU 66 2HB LEU 66 -5.566 -7.849 1.030 500 HG LEU 66 HG LEU 66 -6.842 -6.720 3.514 501 1HD1 LEU 66 1HD1 LEU 66 -5.673 -7.985 4.917 502 2HD1 LEU 66 2HD1 LEU 66 -5.294 -9.047 3.539 503 3HD1 LEU 66 3HD1 LEU 66 -4.172 -7.741 3.992 504 1HD2 LEU 66 1HD2 LEU 66 -4.410 -6.093 1.850 505 2HD2 LEU 66 2HD2 LEU 66 -5.765 -5.035 2.314 506 3HD2 LEU 66 3HD2 LEU 66 -4.561 -5.525 3.530 507 H GLU 67 H GLU 67 -7.864 -9.404 -0.302 508 HA GLU 67 HA GLU 67 -6.710 -8.740 -2.691 509 1HB GLU 67 1HB GLU 67 -8.704 -10.837 -1.826 510 2HB GLU 67 2HB GLU 67 -8.330 -10.680 -3.531 511 1HG GLU 67 1HG GLU 67 -5.816 -10.591 -2.198 512 2HG GLU 67 2HG GLU 67 -6.720 -11.860 -1.396 513 H LYS 68 H LYS 68 -10.059 -8.273 -1.513 514 HA LYS 68 HA LYS 68 -11.338 -7.759 -3.885 515 1HB LYS 68 1HB LYS 68 -11.774 -6.448 -1.184 516 2HB LYS 68 2HB LYS 68 -12.913 -6.436 -2.515 517 1HG LYS 68 1HG LYS 68 -12.432 -9.124 -2.362 518 2HG LYS 68 2HG LYS 68 -12.145 -8.686 -0.690 519 1HD LYS 68 1HD LYS 68 -14.385 -8.651 -0.349 520 2HD LYS 68 2HD LYS 68 -14.503 -7.280 -1.434 521 1HE LYS 68 1HE LYS 68 -15.776 -8.631 -2.757 522 2HE LYS 68 2HE LYS 68 -14.270 -9.397 -3.223 523 1HZ LYS 68 1HZ LYS 68 -15.314 -11.181 -2.412 524 2HZ LYS 68 2HZ LYS 68 -14.769 -10.654 -0.966 525 3HZ LYS 68 3HZ LYS 68 -16.304 -10.338 -1.424 526 H ILE 69 H ILE 69 -9.169 -5.667 -1.936 527 HA ILE 69 HA ILE 69 -9.684 -3.325 -3.416 528 HB ILE 69 HB ILE 69 -7.569 -4.240 -1.504 529 1HG1 ILE 69 1HG1 ILE 69 -9.107 -1.731 -1.138 530 2HG1 ILE 69 2HG1 ILE 69 -10.051 -3.207 -1.114 531 1HG2 ILE 69 1HG2 ILE 69 -6.215 -2.975 -2.944 532 2HG2 ILE 69 2HG2 ILE 69 -7.490 -1.766 -3.229 533 3HG2 ILE 69 3HG2 ILE 69 -6.681 -1.849 -1.646 534 1HD1 ILE 69 1HD1 ILE 69 -8.175 -4.103 0.507 535 2HD1 ILE 69 2HD1 ILE 69 -7.788 -2.378 0.718 536 3HD1 ILE 69 3HD1 ILE 69 -9.408 -2.985 1.139 537 H LEU 70 H LEU 70 -6.936 -5.703 -3.513 538 HA LEU 70 HA LEU 70 -5.504 -4.644 -5.539 539 1HB LEU 70 1HB LEU 70 -5.951 -7.322 -4.428 540 2HB LEU 70 2HB LEU 70 -5.388 -7.331 -6.087 541 HG LEU 70 HG LEU 70 -4.015 -6.182 -3.656 542 1HD1 LEU 70 1HD1 LEU 70 -2.922 -8.100 -5.717 543 2HD1 LEU 70 2HD1 LEU 70 -2.308 -7.747 -4.083 544 3HD1 LEU 70 3HD1 LEU 70 -3.834 -8.642 -4.287 545 1HD2 LEU 70 1HD2 LEU 70 -2.221 -5.706 -5.619 546 2HD2 LEU 70 2HD2 LEU 70 -3.737 -5.375 -6.490 547 3HD2 LEU 70 3HD2 LEU 70 -3.360 -4.490 -4.993 548 H ARG 71 H ARG 71 -8.404 -6.792 -5.865 549 HA ARG 71 HA ARG 71 -8.514 -7.189 -8.452 550 1HB ARG 71 1HB ARG 71 -10.516 -6.768 -6.332 551 2HB ARG 71 2HB ARG 71 -11.151 -6.320 -7.902 552 1HG ARG 71 1HG ARG 71 -10.958 -8.490 -8.766 553 2HG ARG 71 2HG ARG 71 -9.628 -8.913 -7.707 554 1HD ARG 71 1HD ARG 71 -11.463 -10.139 -6.820 555 2HD ARG 71 2HD ARG 71 -11.342 -8.754 -5.754 556 HE ARG 71 HE ARG 71 -13.088 -7.994 -7.846 557 1HH1 ARG 71 2HH2 ARG 71 -13.006 -10.382 -5.263 558 2HH1 ARG 71 1HH2 ARG 71 -14.729 -10.450 -5.097 559 1HH2 ARG 71 2HH1 ARG 71 -15.361 -8.083 -7.628 560 2HH2 ARG 71 1HH1 ARG 71 -16.077 -9.134 -6.452 561 H ASN 72 H ASN 72 -9.085 -4.059 -6.804 562 HA ASN 72 HA ASN 72 -9.477 -2.862 -9.431 563 1HB ASN 72 1HB ASN 72 -10.251 -1.876 -6.636 564 2HB ASN 72 2HB ASN 72 -10.414 -0.895 -8.079 565 1HD2 ASN 72 1HD2 ASN 72 -12.598 -1.359 -6.617 566 2HD2 ASN 72 2HD2 ASN 72 -13.692 -2.450 -7.398 567 H LYS 73 H LYS 73 -6.874 -3.415 -9.044 568 HA LYS 73 HA LYS 73 -5.598 -1.315 -7.517 569 1HB LYS 73 1HB LYS 73 -3.541 -2.501 -8.009 570 2HB LYS 73 2HB LYS 73 -4.748 -3.615 -7.399 571 1HG LYS 73 1HG LYS 73 -5.189 -4.512 -9.591 572 2HG LYS 73 2HG LYS 73 -4.362 -3.188 -10.388 573 1HD LYS 73 1HD LYS 73 -2.260 -4.078 -10.008 574 2HD LYS 73 2HD LYS 73 -2.700 -4.742 -8.448 575 1HE LYS 73 1HE LYS 73 -3.670 -6.690 -9.396 576 2HE LYS 73 2HE LYS 73 -3.912 -5.933 -10.958 577 1HZ LYS 73 1HZ LYS 73 -1.212 -6.311 -9.913 578 2HZ LYS 73 2HZ LYS 73 -1.985 -7.536 -10.668 579 3HZ LYS 73 3HZ LYS 73 -1.692 -6.140 -11.464 580 H ALA 74 H ALA 74 -6.628 -2.026 -10.795 581 HA ALA 74 HA ALA 74 -4.876 0.046 -11.862 582 1HB ALA 74 1HB ALA 74 -6.882 -1.441 -13.524 583 2HB ALA 74 2HB ALA 74 -5.219 -0.943 -13.917 584 3HB ALA 74 3HB ALA 74 -5.501 -2.354 -12.870 585 H LYS 75 H LYS 75 -8.329 -0.751 -11.242 586 HA LYS 75 HA LYS 75 -9.373 1.512 -12.530 587 1HB LYS 75 1HB LYS 75 -10.548 -0.115 -10.257 588 2HB LYS 75 2HB LYS 75 -11.427 0.971 -11.314 589 1HG LYS 75 1HG LYS 75 -9.793 -1.329 -12.451 590 2HG LYS 75 2HG LYS 75 -11.429 -1.586 -11.877 591 1HD LYS 75 1HD LYS 75 -11.717 0.693 -13.456 592 2HD LYS 75 2HD LYS 75 -10.486 -0.201 -14.325 593 1HE LYS 75 1HE LYS 75 -11.903 -2.045 -14.726 594 2HE LYS 75 2HE LYS 75 -12.931 -1.691 -13.351 595 1HZ LYS 75 1HZ LYS 75 -12.780 -0.081 -15.806 596 2HZ LYS 75 2HZ LYS 75 -13.986 -1.112 -15.418 597 3HZ LYS 75 3HZ LYS 75 -13.746 0.236 -14.528 598 H ILE 76 H ILE 76 -8.278 0.874 -9.155 599 HA ILE 76 HA ILE 76 -9.154 3.090 -7.891 600 HB ILE 76 HB ILE 76 -6.733 1.382 -7.679 601 1HG1 ILE 76 1HG1 ILE 76 -8.757 2.158 -5.572 602 2HG1 ILE 76 2HG1 ILE 76 -9.062 0.887 -6.740 603 1HG2 ILE 76 1HG2 ILE 76 -5.872 2.675 -5.778 604 2HG2 ILE 76 2HG2 ILE 76 -5.787 3.593 -7.300 605 3HG2 ILE 76 3HG2 ILE 76 -7.062 3.956 -6.113 606 1HD1 ILE 76 1HD1 ILE 76 -6.704 -0.035 -5.978 607 2HD1 ILE 76 2HD1 ILE 76 -6.981 0.985 -4.546 608 3HD1 ILE 76 3HD1 ILE 76 -8.130 -0.314 -4.949 609 H LYS 77 H LYS 77 -8.620 5.272 -7.726 610 HA LYS 77 HA LYS 77 -6.366 6.250 -9.242 611 1HB LYS 77 1HB LYS 77 -8.509 6.010 -10.752 612 2HB LYS 77 2HB LYS 77 -9.027 7.464 -9.923 613 1HG LYS 77 1HG LYS 77 -7.046 8.684 -10.643 614 2HG LYS 77 2HG LYS 77 -6.287 7.222 -11.240 615 1HD LYS 77 1HD LYS 77 -7.495 7.229 -13.199 616 2HD LYS 77 2HD LYS 77 -8.969 7.757 -12.413 617 1HE LYS 77 1HE LYS 77 -7.467 10.030 -12.133 618 2HE LYS 77 2HE LYS 77 -6.761 9.394 -13.606 619 1HZ LYS 77 1HZ LYS 77 -8.803 9.458 -14.667 620 2HZ LYS 77 2HZ LYS 77 -9.662 9.586 -13.284 621 3HZ LYS 77 3HZ LYS 77 -8.781 10.853 -13.818 622 H PHE 78 H PHE 78 -5.583 8.205 -8.422 623 HA PHE 78 HA PHE 78 -6.952 9.065 -5.984 624 1HB PHE 78 1HB PHE 78 -4.115 9.090 -7.115 625 2HB PHE 78 2HB PHE 78 -4.524 10.228 -5.847 626 HD1 PHE 78 1HD PHE 78 -5.519 6.661 -6.308 627 HD2 PHE 78 2HD PHE 78 -3.452 9.503 -3.930 628 HE1 PHE 78 1HE PHE 78 -5.078 4.895 -4.580 629 HE2 PHE 78 2HE PHE 78 -3.012 7.737 -2.202 630 HZ PHE 78 HZ PHE 78 -3.830 5.454 -2.548 631 H ILE 79 H ILE 79 -7.598 11.199 -5.676 632 HA ILE 79 HA ILE 79 -7.278 12.918 -8.035 633 HB ILE 79 HB ILE 79 -9.518 12.483 -6.103 634 1HG1 ILE 79 1HG1 ILE 79 -10.853 12.369 -8.111 635 2HG1 ILE 79 2HG1 ILE 79 -9.512 12.905 -9.103 636 1HG2 ILE 79 1HG2 ILE 79 -9.725 14.699 -5.818 637 2HG2 ILE 79 2HG2 ILE 79 -8.657 15.084 -7.188 638 3HG2 ILE 79 3HG2 ILE 79 -10.366 14.678 -7.478 639 1HD1 ILE 79 1HD1 ILE 79 -10.060 10.324 -8.912 640 2HD1 ILE 79 2HD1 ILE 79 -8.364 10.866 -8.916 641 3HD1 ILE 79 3HD1 ILE 79 -9.160 10.445 -7.381 642 H ILE 80 H ILE 80 -5.996 14.669 -7.813 643 HA ILE 80 HA ILE 80 -5.566 15.636 -5.072 644 HB ILE 80 HB ILE 80 -3.534 15.553 -7.303 645 1HG1 ILE 80 1HG1 ILE 80 -4.361 13.327 -6.129 646 2HG1 ILE 80 2HG1 ILE 80 -2.672 13.601 -6.508 647 1HG2 ILE 80 1HG2 ILE 80 -3.234 16.268 -4.373 648 2HG2 ILE 80 2HG2 ILE 80 -1.937 16.219 -5.592 649 3HG2 ILE 80 3HG2 ILE 80 -3.245 17.419 -5.732 650 1HD1 ILE 80 1HD1 ILE 80 -3.883 14.367 -3.819 651 2HD1 ILE 80 2HD1 ILE 80 -3.153 12.775 -4.133 652 3HD1 ILE 80 3HD1 ILE 80 -2.158 14.247 -4.241 653 H LYS 81 H LYS 81 -6.591 17.547 -4.843 654 HA LYS 81 HA LYS 81 -7.024 19.168 -7.205 655 1HB LYS 81 1HB LYS 81 -8.013 19.431 -4.350 656 2HB LYS 81 2HB LYS 81 -8.444 20.512 -5.660 657 1HG LYS 81 1HG LYS 81 -9.291 18.476 -6.953 658 2HG LYS 81 2HG LYS 81 -9.020 17.518 -5.511 659 1HD LYS 81 1HD LYS 81 -10.481 19.422 -4.338 660 2HD LYS 81 2HD LYS 81 -11.043 19.718 -5.971 661 1HE LYS 81 1HE LYS 81 -11.448 17.119 -6.068 662 2HE LYS 81 2HE LYS 81 -11.317 17.180 -4.322 663 1HZ LYS 81 1HZ LYS 81 -13.034 19.166 -5.482 664 2HZ LYS 81 2HZ LYS 81 -13.556 17.627 -5.644 665 3HZ LYS 81 3HZ LYS 81 -13.259 18.237 -4.158 666 H LYS 82 H LYS 82 -5.149 19.127 -4.158 667 HA LYS 82 HA LYS 82 -3.729 21.485 -5.174 668 1HB LYS 82 1HB LYS 82 -4.203 20.996 -2.232 669 2HB LYS 82 2HB LYS 82 -3.610 22.447 -3.015 670 1HG LYS 82 1HG LYS 82 -6.003 22.202 -4.306 671 2HG LYS 82 2HG LYS 82 -6.418 21.416 -2.796 672 1HD LYS 82 1HD LYS 82 -6.609 23.430 -1.776 673 2HD LYS 82 2HD LYS 82 -4.930 23.786 -2.131 674 1HE LYS 82 1HE LYS 82 -6.007 24.261 -4.596 675 2HE LYS 82 2HE LYS 82 -7.404 24.629 -3.603 676 1HZ LYS 82 1HZ LYS 82 -6.425 26.446 -2.824 677 2HZ LYS 82 2HZ LYS 82 -4.968 25.740 -2.615 678 3HZ LYS 82 3HZ LYS 82 -5.395 26.312 -4.084 679 HA PRO 83 HA PRO 83 -0.752 18.210 -4.701 680 1HB PRO 83 1HB PRO 83 0.791 18.884 -6.853 681 2HB PRO 83 2HB PRO 83 -0.545 17.754 -6.948 682 1HG PRO 83 1HG PRO 83 -0.413 20.553 -7.890 683 2HG PRO 83 2HG PRO 83 -1.548 19.295 -8.340 684 1HD PRO 83 1HD PRO 83 -2.034 21.486 -6.554 685 2HD PRO 83 2HD PRO 83 -3.128 20.165 -6.915 686 H GLU 84 H GLU 84 -0.385 21.625 -4.988 687 HA GLU 84 HA GLU 84 2.289 21.759 -4.327 688 1HB GLU 84 1HB GLU 84 1.846 24.097 -3.777 689 2HB GLU 84 2HB GLU 84 0.912 23.654 -5.193 690 1HG GLU 84 1HG GLU 84 -1.028 23.125 -3.531 691 2HG GLU 84 2HG GLU 84 -0.080 23.985 -2.334 692 H MET 85 H MET 85 -0.566 21.036 -2.392 693 HA MET 85 HA MET 85 0.730 21.650 0.074 694 1HB MET 85 1HB MET 85 -1.905 20.372 -0.781 695 2HB MET 85 2HB MET 85 -1.418 20.310 0.902 696 1HG MET 85 1HG MET 85 -1.091 23.017 -0.209 697 2HG MET 85 2HG MET 85 -2.739 22.449 -0.386 698 1HE MET 85 1HE MET 85 -3.892 21.666 3.178 699 2HE MET 85 2HE MET 85 -4.184 21.547 1.426 700 3HE MET 85 3HE MET 85 -3.038 20.437 2.215 701 H PHE 86 H PHE 86 0.903 19.093 -2.179 702 HA PHE 86 HA PHE 86 1.358 17.062 -0.154 703 1HB PHE 86 1HB PHE 86 0.738 17.311 -3.059 704 2HB PHE 86 2HB PHE 86 1.974 16.106 -2.756 705 HD1 PHE 86 1HD PHE 86 1.274 13.944 -2.386 706 HD2 PHE 86 2HD PHE 86 -1.356 17.122 -1.392 707 HE1 PHE 86 1HE PHE 86 -0.500 12.281 -1.765 708 HE2 PHE 86 2HE PHE 86 -3.130 15.459 -0.771 709 HZ PHE 86 HZ PHE 86 -2.681 13.058 -0.965 710 H GLU 87 H GLU 87 3.091 19.098 -2.530 711 HA GLU 87 HA GLU 87 5.412 17.843 -2.824 712 1HB GLU 87 1HB GLU 87 4.474 20.541 -3.005 713 2HB GLU 87 2HB GLU 87 6.016 20.601 -2.175 714 1HG GLU 87 1HG GLU 87 5.986 18.760 -4.508 715 2HG GLU 87 2HG GLU 87 5.691 20.436 -4.929 716 H THR 88 H THR 88 4.286 19.562 0.120 717 HA THR 88 HA THR 88 6.677 19.592 1.530 718 HB THR 88 HB THR 88 3.732 19.425 2.328 719 HG1 THR 88 1HG THR 88 5.902 21.398 2.207 720 1HG2 THR 88 1HG2 THR 88 5.971 18.951 4.044 721 2HG2 THR 88 2HG2 THR 88 5.495 20.646 4.304 722 3HG2 THR 88 3HG2 THR 88 4.307 19.342 4.538 723 H ALA 89 H ALA 89 4.226 16.980 1.175 724 HA ALA 89 HA ALA 89 5.575 15.280 3.017 725 1HB ALA 89 1HB ALA 89 3.064 15.392 2.022 726 2HB ALA 89 2HB ALA 89 3.753 14.168 0.928 727 3HB ALA 89 3HB ALA 89 3.774 13.901 2.687 728 H ILE 90 H ILE 90 5.441 15.642 -0.575 729 HA ILE 90 HA ILE 90 6.923 13.412 -1.231 730 HB ILE 90 HB ILE 90 6.580 16.103 -2.533 731 1HG1 ILE 90 1HG1 ILE 90 5.557 13.468 -3.555 732 2HG1 ILE 90 2HG1 ILE 90 4.718 14.273 -2.243 733 1HG2 ILE 90 1HG2 ILE 90 7.502 14.961 -4.602 734 2HG2 ILE 90 2HG2 ILE 90 8.686 15.422 -3.356 735 3HG2 ILE 90 3HG2 ILE 90 8.170 13.726 -3.509 736 1HD1 ILE 90 1HD1 ILE 90 4.581 14.858 -5.047 737 2HD1 ILE 90 2HD1 ILE 90 3.736 15.681 -3.714 738 3HD1 ILE 90 3HD1 ILE 90 5.334 16.258 -4.246 739 H LYS 91 H LYS 91 7.892 16.476 0.237 740 HA LYS 91 HA LYS 91 10.682 16.014 -0.326 741 1HB LYS 91 1HB LYS 91 10.367 18.262 -0.319 742 2HB LYS 91 2HB LYS 91 9.019 18.194 0.798 743 1HG LYS 91 1HG LYS 91 10.434 18.065 2.708 744 2HG LYS 91 2HG LYS 91 11.813 17.525 1.771 745 1HD LYS 91 1HD LYS 91 10.691 20.211 1.044 746 2HD LYS 91 2HD LYS 91 11.489 20.103 2.600 747 1HE LYS 91 1HE LYS 91 13.351 18.800 1.128 748 2HE LYS 91 2HE LYS 91 12.647 19.760 -0.158 749 1HZ LYS 91 1HZ LYS 91 12.944 21.484 1.922 750 2HZ LYS 91 2HZ LYS 91 14.310 20.591 1.957 751 3HZ LYS 91 3HZ LYS 91 13.894 21.394 0.597 752 H GLU 92 H GLU 92 8.641 16.290 2.674 753 HA GLU 92 HA GLU 92 10.454 15.558 4.483 754 1HB GLU 92 1HB GLU 92 7.505 15.255 4.230 755 2HB GLU 92 2HB GLU 92 8.242 14.199 5.419 756 1HG GLU 92 1HG GLU 92 9.338 16.926 5.575 757 2HG GLU 92 2HG GLU 92 7.596 16.924 5.763 758 H SER 93 H SER 93 8.399 13.263 2.554 759 HA SER 93 HA SER 93 9.231 10.940 3.599 760 1HB SER 93 1HB SER 93 8.237 11.836 0.951 761 2HB SER 93 2HB SER 93 9.123 10.325 0.897 762 HG SER 93 HG SER 93 7.341 10.428 3.040 763 H SER 94 H SER 94 10.743 12.550 0.696 764 HA SER 94 HA SER 94 13.227 11.252 1.502 765 1HB SER 94 1HB SER 94 12.123 10.288 -0.593 766 2HB SER 94 2HB SER 94 12.390 11.836 -1.369 767 HG SER 94 HG SER 94 14.642 10.654 -0.102 768 H GLY 95 H GLY 95 14.280 12.989 2.482 769 1HA GLY 95 1HA GLY 95 14.074 15.653 1.394 770 2HA GLY 95 2HA GLY 95 15.000 15.127 2.786 771 HA PRO 96 HA PRO 96 17.531 14.905 -1.241 772 1HB PRO 96 1HB PRO 96 17.276 17.168 -2.751 773 2HB PRO 96 2HB PRO 96 16.438 15.673 -3.116 774 1HG PRO 96 1HG PRO 96 15.363 18.160 -1.933 775 2HG PRO 96 2HG PRO 96 14.494 16.839 -2.688 776 1HD PRO 96 1HD PRO 96 14.717 17.361 0.124 777 2HD PRO 96 2HD PRO 96 13.948 15.977 -0.627 778 H SER 97 H SER 97 19.669 15.255 -1.010 779 HA SER 97 HA SER 97 21.477 16.153 -0.216 780 1HB SER 97 1HB SER 97 20.074 18.316 -1.423 781 2HB SER 97 2HB SER 97 20.717 18.951 0.078 782 HG SER 97 HG SER 97 22.740 18.791 -0.666 783 H SER 98 H SER 98 21.983 15.634 1.880 784 HA SER 98 HA SER 98 20.270 16.737 3.947 785 1HB SER 98 1HB SER 98 20.914 14.185 3.643 786 2HB SER 98 2HB SER 98 22.408 14.651 4.432 787 HG SER 98 HG SER 98 20.775 15.717 6.060 788 H GLY 99 H GLY 99 21.062 18.790 4.443 789 1HA GLY 99 1HA GLY 99 22.879 19.473 6.127 790 2HA GLY 99 2HA GLY 99 23.969 19.077 4.813 Start of MODEL 6 1 1H GLY 1 H GLY 1 6.139 -17.248 -2.455 2 1HA GLY 1 1HA GLY 1 5.696 -14.763 -1.106 3 2HA GLY 1 2HA GLY 1 4.493 -15.872 -1.734 4 H SER 2 H SER 2 4.889 -14.382 0.962 5 HA SER 2 HA SER 2 5.189 -16.585 2.770 6 1HB SER 2 1HB SER 2 6.091 -14.298 3.274 7 2HB SER 2 2HB SER 2 4.455 -13.672 3.307 8 HG SER 2 HG SER 2 3.986 -15.092 5.100 9 H SER 3 H SER 3 3.491 -17.905 3.301 10 HA SER 3 HA SER 3 0.882 -17.195 2.489 11 1HB SER 3 1HB SER 3 1.754 -19.506 4.278 12 2HB SER 3 2HB SER 3 0.245 -19.389 3.396 13 HG SER 3 HG SER 3 1.404 -19.499 1.405 14 H GLY 4 H GLY 4 -0.587 -15.996 3.641 15 1HA GLY 4 1HA GLY 4 -1.550 -16.195 6.065 16 2HA GLY 4 2HA GLY 4 -0.012 -15.457 6.464 17 H SER 5 H SER 5 -1.941 -13.880 7.244 18 HA SER 5 HA SER 5 -2.834 -12.215 5.086 19 1HB SER 5 1HB SER 5 -4.161 -11.073 6.768 20 2HB SER 5 2HB SER 5 -4.312 -12.799 7.030 21 HG SER 5 HG SER 5 -3.696 -12.380 9.033 22 H SER 6 H SER 6 -0.548 -11.615 4.460 23 HA SER 6 HA SER 6 0.173 -9.231 5.896 24 1HB SER 6 1HB SER 6 1.511 -11.192 6.871 25 2HB SER 6 2HB SER 6 2.286 -11.345 5.307 26 HG SER 6 HG SER 6 2.599 -9.356 7.297 27 H GLY 7 H GLY 7 1.361 -11.530 3.327 28 1HA GLY 7 1HA GLY 7 2.641 -9.899 1.628 29 2HA GLY 7 2HA GLY 7 1.594 -11.199 1.095 30 H LEU 8 H LEU 8 -0.957 -10.462 1.498 31 HA LEU 8 HA LEU 8 -1.527 -8.706 -0.508 32 1HB LEU 8 1HB LEU 8 -3.107 -9.521 1.927 33 2HB LEU 8 2HB LEU 8 -3.778 -8.520 0.654 34 HG LEU 8 HG LEU 8 -2.771 -11.364 0.390 35 1HD1 LEU 8 1HD1 LEU 8 -4.994 -11.016 1.482 36 2HD1 LEU 8 2HD1 LEU 8 -5.559 -10.261 -0.028 37 3HD1 LEU 8 3HD1 LEU 8 -5.049 -11.966 -0.021 38 1HD2 LEU 8 1HD2 LEU 8 -3.434 -9.312 -1.684 39 2HD2 LEU 8 2HD2 LEU 8 -2.179 -10.575 -1.677 40 3HD2 LEU 8 3HD2 LEU 8 -3.878 -11.011 -1.977 41 H LYS 9 H LYS 9 -1.324 -8.016 3.046 42 HA LYS 9 HA LYS 9 -1.991 -5.349 2.920 43 1HB LYS 9 1HB LYS 9 -0.615 -7.149 4.807 44 2HB LYS 9 2HB LYS 9 -0.160 -5.465 4.965 45 1HG LYS 9 1HG LYS 9 -2.388 -4.766 5.422 46 2HG LYS 9 2HG LYS 9 -3.090 -6.211 4.721 47 1HD LYS 9 1HD LYS 9 -1.703 -7.430 6.670 48 2HD LYS 9 2HD LYS 9 -1.791 -5.850 7.424 49 1HE LYS 9 1HE LYS 9 -4.327 -5.907 7.008 50 2HE LYS 9 2HE LYS 9 -4.138 -7.580 6.519 51 1HZ LYS 9 1HZ LYS 9 -2.833 -7.554 8.827 52 2HZ LYS 9 2HZ LYS 9 -3.977 -6.431 9.137 53 3HZ LYS 9 3HZ LYS 9 -4.413 -7.939 8.684 54 H GLN 10 H GLN 10 1.349 -6.792 2.884 55 HA GLN 10 HA GLN 10 2.688 -4.465 2.493 56 1HB GLN 10 1HB GLN 10 3.398 -7.076 2.715 57 2HB GLN 10 2HB GLN 10 3.673 -6.869 0.997 58 1HG GLN 10 1HG GLN 10 4.926 -4.642 1.769 59 2HG GLN 10 2HG GLN 10 5.020 -5.465 3.313 60 1HE2 GLN 10 1HE2 GLN 10 6.116 -5.307 0.056 61 2HE2 GLN 10 2HE2 GLN 10 7.328 -6.543 0.117 62 H LYS 11 H LYS 11 1.089 -6.596 0.067 63 HA LYS 11 HA LYS 11 2.056 -5.221 -2.185 64 1HB LYS 11 1HB LYS 11 -0.297 -7.064 -1.721 65 2HB LYS 11 2HB LYS 11 0.066 -6.382 -3.294 66 1HG LYS 11 1HG LYS 11 1.859 -7.765 -3.616 67 2HG LYS 11 2HG LYS 11 2.456 -7.526 -1.986 68 1HD LYS 11 1HD LYS 11 0.219 -9.016 -1.447 69 2HD LYS 11 2HD LYS 11 0.605 -9.628 -3.042 70 1HE LYS 11 1HE LYS 11 2.740 -9.403 -0.883 71 2HE LYS 11 2HE LYS 11 1.697 -10.807 -0.985 72 1HZ LYS 11 1HZ LYS 11 2.425 -11.048 -3.297 73 2HZ LYS 11 2HZ LYS 11 3.476 -9.814 -3.099 74 3HZ LYS 11 3HZ LYS 11 3.658 -11.187 -2.235 75 H VAL 12 H VAL 12 -1.063 -5.005 -0.343 76 HA VAL 12 HA VAL 12 -2.121 -2.947 -1.908 77 HB VAL 12 HB VAL 12 -2.627 -3.644 0.991 78 1HG1 VAL 12 1HG1 VAL 12 -3.514 -1.430 0.284 79 2HG1 VAL 12 2HG1 VAL 12 -4.436 -2.242 -1.005 80 3HG1 VAL 12 3HG1 VAL 12 -4.794 -2.594 0.703 81 1HG2 VAL 12 1HG2 VAL 12 -4.520 -4.578 -1.071 82 2HG2 VAL 12 2HG2 VAL 12 -2.910 -5.334 -1.146 83 3HG2 VAL 12 3HG2 VAL 12 -3.864 -5.418 0.354 84 H GLU 13 H GLU 13 0.275 -3.014 0.697 85 HA GLU 13 HA GLU 13 0.046 -0.365 1.473 86 1HB GLU 13 1HB GLU 13 2.039 -2.556 1.750 87 2HB GLU 13 2HB GLU 13 2.712 -0.943 1.883 88 1HG GLU 13 1HG GLU 13 0.249 -1.835 3.448 89 2HG GLU 13 2HG GLU 13 1.878 -2.000 4.073 90 H ASN 14 H ASN 14 2.382 -1.931 -0.839 91 HA ASN 14 HA ASN 14 3.559 0.437 -1.615 92 1HB ASN 14 1HB ASN 14 3.440 -2.374 -2.581 93 2HB ASN 14 2HB ASN 14 3.726 -1.220 -3.869 94 1HD2 ASN 14 1HD2 ASN 14 4.952 -2.751 -1.038 95 2HD2 ASN 14 2HD2 ASN 14 6.562 -2.112 -1.061 96 H LEU 15 H LEU 15 0.584 -1.271 -2.610 97 HA LEU 15 HA LEU 15 0.115 -0.162 -5.074 98 1HB LEU 15 1HB LEU 15 -1.349 -1.810 -4.561 99 2HB LEU 15 2HB LEU 15 -1.522 -1.311 -2.890 100 HG LEU 15 HG LEU 15 -2.969 0.566 -3.601 101 1HD1 LEU 15 1HD1 LEU 15 -2.968 -0.652 -6.367 102 2HD1 LEU 15 2HD1 LEU 15 -3.713 0.871 -5.824 103 3HD1 LEU 15 3HD1 LEU 15 -1.941 0.728 -5.912 104 1HD2 LEU 15 1HD2 LEU 15 -3.614 -2.291 -3.957 105 2HD2 LEU 15 2HD2 LEU 15 -4.404 -1.041 -2.966 106 3HD2 LEU 15 3HD2 LEU 15 -4.761 -1.154 -4.706 107 H PHE 16 H PHE 16 -1.459 1.037 -2.027 108 HA PHE 16 HA PHE 16 -2.391 3.376 -2.981 109 1HB PHE 16 1HB PHE 16 -1.004 2.729 -0.310 110 2HB PHE 16 2HB PHE 16 -2.019 4.139 -0.543 111 HD1 PHE 16 1HD PHE 16 -2.261 1.631 1.362 112 HD2 PHE 16 2HD PHE 16 -4.151 2.790 -2.256 113 HE1 PHE 16 1HE PHE 16 -4.282 0.280 1.985 114 HE2 PHE 16 2HE PHE 16 -6.173 1.439 -1.633 115 HZ PHE 16 HZ PHE 16 -6.214 0.200 0.480 116 H ASN 17 H ASN 17 0.822 3.017 -1.300 117 HA ASN 17 HA ASN 17 1.732 5.489 -1.504 118 1HB ASN 17 1HB ASN 17 3.146 2.828 -1.940 119 2HB ASN 17 2HB ASN 17 4.058 4.322 -2.018 120 1HD2 ASN 17 1HD2 ASN 17 4.784 5.196 -0.220 121 2HD2 ASN 17 2HD2 ASN 17 4.324 4.778 1.397 122 H GLU 18 H GLU 18 2.506 2.934 -4.000 123 HA GLU 18 HA GLU 18 3.637 4.456 -5.864 124 1HB GLU 18 1HB GLU 18 2.171 1.918 -5.823 125 2HB GLU 18 2HB GLU 18 1.989 2.726 -7.367 126 1HG GLU 18 1HG GLU 18 4.763 2.870 -6.385 127 2HG GLU 18 2HG GLU 18 4.210 1.212 -6.522 128 H LYS 19 H LYS 19 0.072 3.698 -5.853 129 HA LYS 19 HA LYS 19 -0.746 5.239 -7.888 130 1HB LYS 19 1HB LYS 19 -2.094 4.858 -5.199 131 2HB LYS 19 2HB LYS 19 -2.889 5.502 -6.621 132 1HG LYS 19 1HG LYS 19 -1.524 2.771 -6.500 133 2HG LYS 19 2HG LYS 19 -3.247 3.023 -6.302 134 1HD LYS 19 1HD LYS 19 -2.424 4.401 -8.704 135 2HD LYS 19 2HD LYS 19 -1.746 2.786 -8.755 136 1HE LYS 19 1HE LYS 19 -4.132 1.964 -8.062 137 2HE LYS 19 2HE LYS 19 -4.674 3.574 -8.493 138 1HZ LYS 19 1HZ LYS 19 -3.456 1.562 -10.226 139 2HZ LYS 19 2HZ LYS 19 -4.870 2.355 -10.421 140 3HZ LYS 19 3HZ LYS 19 -3.456 3.137 -10.655 141 H CYS 20 H CYS 20 -0.166 6.395 -4.500 142 HA CYS 20 HA CYS 20 -0.915 8.951 -4.703 143 1HB CYS 20 1HB CYS 20 0.633 7.475 -2.927 144 2HB CYS 20 2HB CYS 20 1.718 8.758 -3.427 145 HG CYS 20 HG CYS 20 0.727 10.567 -2.254 146 H GLY 21 H GLY 21 2.523 7.894 -5.308 147 1HA GLY 21 1HA GLY 21 3.520 10.150 -6.434 148 2HA GLY 21 2HA GLY 21 4.005 8.529 -6.889 149 H GLU 22 H GLU 22 1.510 7.609 -8.038 150 HA GLU 22 HA GLU 22 1.837 8.657 -10.601 151 1HB GLU 22 1HB GLU 22 0.731 6.763 -11.142 152 2HB GLU 22 2HB GLU 22 0.608 6.413 -9.429 153 1HG GLU 22 1HG GLU 22 -1.529 7.737 -9.330 154 2HG GLU 22 2HG GLU 22 -1.412 8.032 -11.054 155 H ALA 23 H ALA 23 -0.409 9.354 -7.914 156 HA ALA 23 HA ALA 23 -2.336 10.754 -9.364 157 1HB ALA 23 1HB ALA 23 -3.236 11.081 -7.303 158 2HB ALA 23 2HB ALA 23 -1.965 9.957 -6.765 159 3HB ALA 23 3HB ALA 23 -1.714 11.714 -6.630 160 H LEU 24 H LEU 24 0.779 11.769 -7.849 161 HA LEU 24 HA LEU 24 0.387 14.506 -8.526 162 1HB LEU 24 1HB LEU 24 2.765 12.915 -7.572 163 2HB LEU 24 2HB LEU 24 2.832 14.636 -7.896 164 HG LEU 24 HG LEU 24 2.548 14.079 -5.498 165 1HD1 LEU 24 1HD1 LEU 24 1.313 16.076 -6.969 166 2HD1 LEU 24 2HD1 LEU 24 0.010 15.446 -5.934 167 3HD1 LEU 24 3HD1 LEU 24 1.522 16.034 -5.202 168 1HD2 LEU 24 1HD2 LEU 24 0.481 13.192 -4.636 169 2HD2 LEU 24 2HD2 LEU 24 -0.213 13.103 -6.273 170 3HD2 LEU 24 3HD2 LEU 24 1.154 12.054 -5.827 171 H GLY 25 H GLY 25 1.153 11.688 -10.315 172 1HA GLY 25 1HA GLY 25 1.390 11.642 -12.609 173 2HA GLY 25 2HA GLY 25 1.856 13.331 -12.618 174 H LEU 26 H LEU 26 3.221 10.760 -10.490 175 HA LEU 26 HA LEU 26 5.788 11.201 -11.847 176 1HB LEU 26 1HB LEU 26 5.312 10.355 -8.988 177 2HB LEU 26 2HB LEU 26 6.858 10.693 -9.741 178 HG LEU 26 HG LEU 26 4.663 12.750 -9.376 179 1HD1 LEU 26 1HD1 LEU 26 6.932 13.283 -7.732 180 2HD1 LEU 26 2HD1 LEU 26 5.247 12.974 -7.251 181 3HD1 LEU 26 3HD1 LEU 26 6.388 11.618 -7.416 182 1HD2 LEU 26 1HD2 LEU 26 6.291 13.134 -11.239 183 2HD2 LEU 26 2HD2 LEU 26 6.296 14.390 -9.977 184 3HD2 LEU 26 3HD2 LEU 26 7.591 13.170 -10.023 185 H LYS 27 H LYS 27 7.307 9.202 -11.559 186 HA LYS 27 HA LYS 27 5.676 6.845 -12.191 187 1HB LYS 27 1HB LYS 27 8.315 7.851 -13.232 188 2HB LYS 27 2HB LYS 27 7.937 6.142 -13.302 189 1HG LYS 27 1HG LYS 27 5.589 7.479 -14.209 190 2HG LYS 27 2HG LYS 27 6.927 8.315 -14.971 191 1HD LYS 27 1HD LYS 27 7.728 5.713 -15.328 192 2HD LYS 27 2HD LYS 27 5.989 5.499 -15.340 193 1HE LYS 27 1HE LYS 27 5.692 6.870 -17.247 194 2HE LYS 27 2HE LYS 27 7.201 7.725 -16.997 195 1HZ LYS 27 1HZ LYS 27 7.339 4.873 -17.490 196 2HZ LYS 27 2HZ LYS 27 6.986 5.844 -18.755 197 3HZ LYS 27 3HZ LYS 27 8.379 6.054 -17.928 198 H GLN 28 H GLN 28 6.828 8.121 -9.538 199 HA GLN 28 HA GLN 28 8.050 5.616 -8.675 200 1HB GLN 28 1HB GLN 28 9.357 6.945 -7.016 201 2HB GLN 28 2HB GLN 28 9.750 7.371 -8.670 202 1HG GLN 28 1HG GLN 28 8.104 9.302 -8.499 203 2HG GLN 28 2HG GLN 28 7.886 8.912 -6.804 204 1HE2 GLN 28 1HE2 GLN 28 8.907 11.330 -8.003 205 2HE2 GLN 28 2HE2 GLN 28 10.507 11.595 -7.395 206 H ALA 29 H ALA 29 7.969 5.750 -5.982 207 HA ALA 29 HA ALA 29 5.109 5.880 -5.471 208 1HB ALA 29 1HB ALA 29 7.179 4.922 -3.502 209 2HB ALA 29 2HB ALA 29 5.517 4.343 -3.771 210 3HB ALA 29 3HB ALA 29 6.803 3.927 -4.929 211 H VAL 30 H VAL 30 4.296 6.920 -3.478 212 HA VAL 30 HA VAL 30 6.061 8.844 -2.244 213 HB VAL 30 HB VAL 30 3.579 9.747 -3.715 214 1HG1 VAL 30 1HG1 VAL 30 4.649 12.030 -3.247 215 2HG1 VAL 30 2HG1 VAL 30 3.906 11.181 -1.870 216 3HG1 VAL 30 3HG1 VAL 30 5.675 11.177 -2.069 217 1HG2 VAL 30 1HG2 VAL 30 5.173 10.928 -5.235 218 2HG2 VAL 30 2HG2 VAL 30 6.506 10.030 -4.470 219 3HG2 VAL 30 3HG2 VAL 30 5.240 9.154 -5.363 220 H LYS 31 H LYS 31 5.630 8.808 -0.099 221 HA LYS 31 HA LYS 31 3.864 7.204 1.110 222 1HB LYS 31 1HB LYS 31 5.690 9.066 1.924 223 2HB LYS 31 2HB LYS 31 4.200 9.810 2.468 224 1HG LYS 31 1HG LYS 31 3.703 7.274 3.297 225 2HG LYS 31 2HG LYS 31 5.454 7.215 3.326 226 1HD LYS 31 1HD LYS 31 4.808 7.954 5.512 227 2HD LYS 31 2HD LYS 31 5.403 9.386 4.696 228 1HE LYS 31 1HE LYS 31 2.579 9.121 4.113 229 2HE LYS 31 2HE LYS 31 2.800 8.952 5.844 230 1HZ LYS 31 1HZ LYS 31 2.818 11.166 5.743 231 2HZ LYS 31 2HZ LYS 31 4.389 10.999 5.328 232 3HZ LYS 31 3HZ LYS 31 3.260 11.237 4.172 233 H VAL 32 H VAL 32 1.759 7.442 2.123 234 HA VAL 32 HA VAL 32 0.071 9.268 0.572 235 HB VAL 32 HB VAL 32 -0.499 6.678 2.020 236 1HG1 VAL 32 1HG1 VAL 32 -2.775 6.894 1.605 237 2HG1 VAL 32 2HG1 VAL 32 -2.320 8.550 2.074 238 3HG1 VAL 32 3HG1 VAL 32 -2.538 8.139 0.356 239 1HG2 VAL 32 1HG2 VAL 32 -0.776 7.337 -0.927 240 2HG2 VAL 32 2HG2 VAL 32 0.669 6.583 -0.214 241 3HG2 VAL 32 3HG2 VAL 32 -0.898 5.742 -0.147 242 HA PRO 33 HA PRO 33 -0.200 11.395 4.404 243 1HB PRO 33 1HB PRO 33 -1.300 13.693 3.413 244 2HB PRO 33 2HB PRO 33 0.428 13.407 3.475 245 1HG PRO 33 1HG PRO 33 -1.382 13.325 1.139 246 2HG PRO 33 2HG PRO 33 0.365 13.465 1.170 247 1HD PRO 33 1HD PRO 33 -1.157 11.113 0.555 248 2HD PRO 33 2HD PRO 33 0.585 11.225 0.699 249 H PHE 34 H PHE 34 -1.778 9.457 4.641 250 HA PHE 34 HA PHE 34 -4.385 9.570 4.122 251 1HB PHE 34 1HB PHE 34 -2.805 8.864 6.650 252 2HB PHE 34 2HB PHE 34 -4.534 8.584 6.595 253 HD1 PHE 34 1HD PHE 34 -1.305 7.334 5.674 254 HD2 PHE 34 2HD PHE 34 -5.448 7.037 4.802 255 HE1 PHE 34 1HE PHE 34 -0.912 5.121 4.557 256 HE2 PHE 34 2HE PHE 34 -5.054 4.824 3.685 257 HZ PHE 34 HZ PHE 34 -2.791 3.893 3.576 258 H ALA 35 H ALA 35 -2.641 11.594 6.503 259 HA ALA 35 HA ALA 35 -4.831 12.539 7.920 260 1HB ALA 35 1HB ALA 35 -2.561 14.390 7.316 261 2HB ALA 35 2HB ALA 35 -3.292 13.948 8.878 262 3HB ALA 35 3HB ALA 35 -2.156 12.834 8.080 263 H LEU 36 H LEU 36 -3.163 13.951 5.013 264 HA LEU 36 HA LEU 36 -4.730 16.141 4.661 265 1HB LEU 36 1HB LEU 36 -3.130 14.372 2.907 266 2HB LEU 36 2HB LEU 36 -4.280 15.420 2.101 267 HG LEU 36 HG LEU 36 -3.173 17.290 3.603 268 1HD1 LEU 36 1HD1 LEU 36 -0.665 15.744 3.248 269 2HD1 LEU 36 2HD1 LEU 36 -1.127 16.927 4.495 270 3HD1 LEU 36 3HD1 LEU 36 -1.725 15.253 4.591 271 1HD2 LEU 36 1HD2 LEU 36 -1.231 16.865 1.559 272 2HD2 LEU 36 2HD2 LEU 36 -2.817 16.344 0.942 273 3HD2 LEU 36 3HD2 LEU 36 -2.607 17.993 1.580 274 H PHE 37 H PHE 37 -5.414 12.741 3.668 275 HA PHE 37 HA PHE 37 -7.818 13.380 2.350 276 1HB PHE 37 1HB PHE 37 -6.553 10.907 3.648 277 2HB PHE 37 2HB PHE 37 -8.127 10.798 2.886 278 HD1 PHE 37 1HD PHE 37 -4.602 11.759 2.199 279 HD2 PHE 37 2HD PHE 37 -8.296 10.435 0.585 280 HE1 PHE 37 1HE PHE 37 -3.499 11.395 -0.026 281 HE2 PHE 37 2HE PHE 37 -7.193 10.071 -1.640 282 HZ PHE 37 HZ PHE 37 -4.808 10.556 -1.919 283 H GLU 38 H GLU 38 -6.931 12.965 5.735 284 HA GLU 38 HA GLU 38 -9.656 12.485 6.498 285 1HB GLU 38 1HB GLU 38 -7.145 12.912 8.177 286 2HB GLU 38 2HB GLU 38 -8.711 12.458 8.820 287 1HG GLU 38 1HG GLU 38 -7.710 10.748 6.581 288 2HG GLU 38 2HG GLU 38 -6.781 10.655 8.065 289 H SER 39 H SER 39 -7.112 15.000 7.180 290 HA SER 39 HA SER 39 -8.961 16.742 8.350 291 1HB SER 39 1HB SER 39 -6.155 17.120 7.240 292 2HB SER 39 2HB SER 39 -7.047 18.443 7.964 293 HG SER 39 HG SER 39 -7.166 17.265 9.949 294 H PHE 40 H PHE 40 -7.686 16.264 5.036 295 HA PHE 40 HA PHE 40 -9.605 18.292 4.131 296 1HB PHE 40 1HB PHE 40 -6.946 17.509 2.814 297 2HB PHE 40 2HB PHE 40 -7.927 18.910 2.433 298 HD1 PHE 40 1HD PHE 40 -8.388 20.404 4.698 299 HD2 PHE 40 2HD PHE 40 -4.994 17.976 3.927 300 HE1 PHE 40 1HE PHE 40 -7.036 21.786 6.298 301 HE2 PHE 40 2HE PHE 40 -3.642 19.358 5.527 302 HZ PHE 40 HZ PHE 40 -4.679 21.247 6.693 303 HA PRO 41 HA PRO 41 -10.460 14.289 2.158 304 1HB PRO 41 1HB PRO 41 -13.095 14.076 2.854 305 2HB PRO 41 2HB PRO 41 -11.799 13.332 3.769 306 1HG PRO 41 1HG PRO 41 -13.383 15.740 4.422 307 2HG PRO 41 2HG PRO 41 -12.404 14.749 5.485 308 1HD PRO 41 1HD PRO 41 -11.711 17.317 4.412 309 2HD PRO 41 2HD PRO 41 -10.687 16.274 5.379 310 H GLU 42 H GLU 42 -12.001 17.366 2.145 311 HA GLU 42 HA GLU 42 -13.295 16.762 -0.344 312 1HB GLU 42 1HB GLU 42 -13.665 18.652 1.775 313 2HB GLU 42 2HB GLU 42 -13.347 19.580 0.323 314 1HG GLU 42 1HG GLU 42 -15.206 17.302 -0.103 315 2HG GLU 42 2HG GLU 42 -15.810 18.501 1.024 316 H ASP 43 H ASP 43 -10.564 16.352 -0.625 317 HA ASP 43 HA ASP 43 -10.003 18.192 -2.682 318 1HB ASP 43 1HB ASP 43 -8.115 18.149 -0.281 319 2HB ASP 43 2HB ASP 43 -7.838 19.019 -1.777 320 H PHE 44 H PHE 44 -8.709 15.795 -0.285 321 HA PHE 44 HA PHE 44 -7.333 14.462 -2.510 322 1HB PHE 44 1HB PHE 44 -6.833 14.410 0.526 323 2HB PHE 44 2HB PHE 44 -5.823 13.623 -0.671 324 HD1 PHE 44 1HD PHE 44 -5.119 15.416 -2.646 325 HD2 PHE 44 2HD PHE 44 -5.932 16.321 1.420 326 HE1 PHE 44 1HE PHE 44 -3.717 17.490 -2.827 327 HE2 PHE 44 2HE PHE 44 -4.530 18.395 1.238 328 HZ PHE 44 HZ PHE 44 -3.440 18.955 -0.883 329 H TYR 45 H TYR 45 -8.347 12.629 -3.162 330 HA TYR 45 HA TYR 45 -9.198 10.727 -1.184 331 1HB TYR 45 1HB TYR 45 -11.555 10.733 -2.151 332 2HB TYR 45 2HB TYR 45 -11.172 12.251 -1.364 333 HD1 TYR 45 1HD TYR 45 -10.752 14.291 -2.697 334 HD2 TYR 45 2HD TYR 45 -11.877 10.605 -4.555 335 HE1 TYR 45 1HE TYR 45 -11.339 15.539 -4.834 336 HE2 TYR 45 2HE TYR 45 -12.460 11.865 -6.685 337 HH TYR 45 HH TYR 45 -11.779 15.309 -6.986 338 H VAL 46 H VAL 46 -9.561 8.615 -2.092 339 HA VAL 46 HA VAL 46 -8.498 8.414 -4.817 340 HB VAL 46 HB VAL 46 -8.461 6.577 -2.427 341 1HG1 VAL 46 1HG1 VAL 46 -8.580 5.825 -5.211 342 2HG1 VAL 46 2HG1 VAL 46 -6.995 5.388 -4.530 343 3HG1 VAL 46 3HG1 VAL 46 -8.487 4.792 -3.764 344 1HG2 VAL 46 1HG2 VAL 46 -6.676 8.137 -2.349 345 2HG2 VAL 46 2HG2 VAL 46 -5.972 6.627 -2.976 346 3HG2 VAL 46 3HG2 VAL 46 -6.344 7.965 -4.089 347 H GLU 47 H GLU 47 -9.755 7.599 -6.439 348 HA GLU 47 HA GLU 47 -12.361 6.607 -5.589 349 1HB GLU 47 1HB GLU 47 -11.555 7.964 -8.200 350 2HB GLU 47 2HB GLU 47 -13.158 7.346 -7.853 351 1HG GLU 47 1HG GLU 47 -12.469 8.973 -5.617 352 2HG GLU 47 2HG GLU 47 -11.947 9.871 -7.028 353 H GLY 48 H GLY 48 -13.371 5.102 -7.428 354 1HA GLY 48 1HA GLY 48 -13.033 3.425 -9.011 355 2HA GLY 48 2HA GLY 48 -11.314 3.422 -8.668 356 H LEU 49 H LEU 49 -11.712 3.447 -5.684 357 HA LEU 49 HA LEU 49 -11.431 0.850 -5.093 358 1HB LEU 49 1HB LEU 49 -12.551 3.158 -3.549 359 2HB LEU 49 2HB LEU 49 -12.535 1.560 -2.830 360 HG LEU 49 HG LEU 49 -10.021 2.757 -3.983 361 1HD1 LEU 49 1HD1 LEU 49 -9.525 3.975 -2.101 362 2HD1 LEU 49 2HD1 LEU 49 -11.283 4.232 -2.211 363 3HD1 LEU 49 3HD1 LEU 49 -10.628 3.039 -1.064 364 1HD2 LEU 49 1HD2 LEU 49 -10.581 0.639 -1.893 365 2HD2 LEU 49 2HD2 LEU 49 -9.882 0.411 -3.514 366 3HD2 LEU 49 3HD2 LEU 49 -8.965 1.286 -2.265 367 HA PRO 50 HA PRO 50 -15.236 -1.108 -5.655 368 1HB PRO 50 1HB PRO 50 -14.983 -3.271 -4.004 369 2HB PRO 50 2HB PRO 50 -14.257 -3.191 -5.597 370 1HG PRO 50 1HG PRO 50 -12.960 -2.924 -2.953 371 2HG PRO 50 2HG PRO 50 -12.226 -3.270 -4.506 372 1HD PRO 50 1HD PRO 50 -12.196 -0.762 -3.114 373 2HD PRO 50 2HD PRO 50 -11.563 -1.079 -4.717 374 H GLU 51 H GLU 51 -17.323 -1.774 -4.747 375 HA GLU 51 HA GLU 51 -18.140 0.147 -2.949 376 1HB GLU 51 1HB GLU 51 -19.330 -1.878 -4.528 377 2HB GLU 51 2HB GLU 51 -19.839 -2.233 -2.889 378 1HG GLU 51 1HG GLU 51 -20.270 0.428 -2.828 379 2HG GLU 51 2HG GLU 51 -20.391 0.213 -4.563 380 H GLY 52 H GLY 52 -18.664 0.090 -0.697 381 1HA GLY 52 1HA GLY 52 -18.433 -0.522 1.453 382 2HA GLY 52 2HA GLY 52 -18.466 -2.192 0.923 383 H VAL 53 H VAL 53 -16.012 -0.263 -0.621 384 HA VAL 53 HA VAL 53 -14.029 -1.186 1.334 385 HB VAL 53 HB VAL 53 -13.853 -1.369 -1.680 386 1HG1 VAL 53 1HG1 VAL 53 -11.647 -1.856 -1.523 387 2HG1 VAL 53 2HG1 VAL 53 -11.758 -0.927 -0.009 388 3HG1 VAL 53 3HG1 VAL 53 -11.833 -2.705 0.030 389 1HG2 VAL 53 1HG2 VAL 53 -13.573 -3.801 -0.016 390 2HG2 VAL 53 2HG2 VAL 53 -15.201 -3.082 -0.048 391 3HG2 VAL 53 3HG2 VAL 53 -14.408 -3.557 -1.569 392 HA PRO 54 HA PRO 54 -13.432 3.185 0.735 393 1HB PRO 54 1HB PRO 54 -12.656 3.743 3.295 394 2HB PRO 54 2HB PRO 54 -14.324 3.817 2.762 395 1HG PRO 54 1HG PRO 54 -12.996 1.758 4.416 396 2HG PRO 54 2HG PRO 54 -14.709 2.079 4.229 397 1HD PRO 54 1HD PRO 54 -13.222 -0.059 3.026 398 2HD PRO 54 2HD PRO 54 -14.908 0.332 2.748 399 H PHE 55 H PHE 55 -11.485 4.706 1.454 400 HA PHE 55 HA PHE 55 -9.196 3.198 0.500 401 1HB PHE 55 1HB PHE 55 -9.826 5.385 -0.531 402 2HB PHE 55 2HB PHE 55 -9.838 6.157 1.042 403 HD1 PHE 55 1HD PHE 55 -7.240 3.781 -0.070 404 HD2 PHE 55 2HD PHE 55 -8.245 7.855 0.565 405 HE1 PHE 55 1HE PHE 55 -4.831 4.422 -0.367 406 HE2 PHE 55 2HE PHE 55 -5.836 8.495 0.268 407 HZ PHE 55 HZ PHE 55 -4.158 6.771 -0.194 408 H ARG 56 H ARG 56 -10.055 2.545 3.172 409 HA ARG 56 HA ARG 56 -8.588 4.058 5.018 410 1HB ARG 56 1HB ARG 56 -10.177 1.523 5.017 411 2HB ARG 56 2HB ARG 56 -8.952 1.620 6.265 412 1HG ARG 56 1HG ARG 56 -10.785 3.989 5.816 413 2HG ARG 56 2HG ARG 56 -11.390 2.598 6.693 414 1HD ARG 56 1HD ARG 56 -8.742 3.895 7.450 415 2HD ARG 56 2HD ARG 56 -10.260 4.517 8.064 416 HE ARG 56 HE ARG 56 -8.922 2.115 8.945 417 1HH1 ARG 56 2HH2 ARG 56 -12.131 3.452 8.400 418 2HH1 ARG 56 1HH2 ARG 56 -12.895 2.428 9.570 419 1HH2 ARG 56 2HH1 ARG 56 -9.930 0.764 10.488 420 2HH2 ARG 56 1HH1 ARG 56 -11.635 0.889 10.766 421 H ARG 57 H ARG 57 -7.016 2.550 6.586 422 HA ARG 57 HA ARG 57 -4.751 2.162 5.028 423 1HB ARG 57 1HB ARG 57 -5.329 1.201 7.877 424 2HB ARG 57 2HB ARG 57 -3.734 1.313 7.160 425 1HG ARG 57 1HG ARG 57 -3.601 3.535 7.615 426 2HG ARG 57 2HG ARG 57 -5.134 3.848 6.825 427 1HD ARG 57 1HD ARG 57 -6.383 3.315 8.854 428 2HD ARG 57 2HD ARG 57 -4.947 2.697 9.647 429 HE ARG 57 HE ARG 57 -4.326 4.890 10.175 430 1HH1 ARG 57 2HH2 ARG 57 -6.706 4.966 7.584 431 2HH1 ARG 57 1HH2 ARG 57 -6.868 6.691 7.610 432 1HH2 ARG 57 2HH1 ARG 57 -4.539 7.165 10.210 433 2HH2 ARG 57 1HH1 ARG 57 -5.627 7.950 9.114 434 HA PRO 58 HA PRO 58 -5.190 -2.048 3.969 435 1HB PRO 58 1HB PRO 58 -2.596 -2.742 3.458 436 2HB PRO 58 2HB PRO 58 -3.601 -1.878 2.311 437 1HG PRO 58 1HG PRO 58 -1.405 -0.843 3.997 438 2HG PRO 58 2HG PRO 58 -2.123 -0.126 2.569 439 1HD PRO 58 1HD PRO 58 -2.582 0.647 5.292 440 2HD PRO 58 2HD PRO 58 -3.386 1.285 3.872 441 H SER 59 H SER 59 -2.729 -1.343 6.362 442 HA SER 59 HA SER 59 -2.710 -3.999 7.297 443 1HB SER 59 1HB SER 59 -1.677 -1.365 8.406 444 2HB SER 59 2HB SER 59 -1.526 -2.857 9.312 445 HG SER 59 HG SER 59 0.098 -3.464 8.056 446 H THR 60 H THR 60 -5.315 -3.763 7.229 447 HA THR 60 HA THR 60 -6.155 -3.916 9.919 448 HB THR 60 HB THR 60 -6.133 -1.276 8.744 449 HG1 THR 60 1HG THR 60 -6.839 -0.906 10.948 450 1HG2 THR 60 1HG2 THR 60 -8.576 -0.755 9.349 451 2HG2 THR 60 2HG2 THR 60 -8.358 -1.619 7.808 452 3HG2 THR 60 3HG2 THR 60 -8.886 -2.505 9.259 453 H PHE 61 H PHE 61 -7.028 -3.438 6.466 454 HA PHE 61 HA PHE 61 -9.585 -4.427 6.562 455 1HB PHE 61 1HB PHE 61 -7.274 -4.592 4.552 456 2HB PHE 61 2HB PHE 61 -8.863 -5.202 4.135 457 HD1 PHE 61 1HD PHE 61 -6.993 -2.728 3.189 458 HD2 PHE 61 2HD PHE 61 -10.611 -3.153 5.367 459 HE1 PHE 61 1HE PHE 61 -7.692 -0.424 2.479 460 HE2 PHE 61 2HE PHE 61 -11.309 -0.850 4.656 461 HZ PHE 61 HZ PHE 61 -9.841 0.488 3.221 462 H GLY 62 H GLY 62 -10.111 -6.628 5.215 463 1HA GLY 62 1HA GLY 62 -9.011 -8.752 6.895 464 2HA GLY 62 2HA GLY 62 -10.447 -8.819 5.893 465 H ILE 63 H ILE 63 -8.836 -10.970 5.662 466 HA ILE 63 HA ILE 63 -6.714 -10.734 3.860 467 HB ILE 63 HB ILE 63 -8.493 -12.997 4.726 468 1HG1 ILE 63 1HG1 ILE 63 -5.531 -12.766 5.171 469 2HG1 ILE 63 2HG1 ILE 63 -6.628 -11.824 6.160 470 1HG2 ILE 63 1HG2 ILE 63 -6.735 -14.468 3.584 471 2HG2 ILE 63 2HG2 ILE 63 -7.965 -13.697 2.554 472 3HG2 ILE 63 3HG2 ILE 63 -6.320 -13.020 2.634 473 1HD1 ILE 63 1HD1 ILE 63 -5.957 -14.594 6.431 474 2HD1 ILE 63 2HD1 ILE 63 -7.097 -13.646 7.415 475 3HD1 ILE 63 3HD1 ILE 63 -7.674 -14.512 5.971 476 HA PRO 64 HA PRO 64 -10.066 -11.535 0.609 477 1HB PRO 64 1HB PRO 64 -12.684 -11.099 1.258 478 2HB PRO 64 2HB PRO 64 -11.942 -12.686 1.284 479 1HG PRO 64 1HG PRO 64 -12.659 -10.938 3.558 480 2HG PRO 64 2HG PRO 64 -12.323 -12.658 3.559 481 1HD PRO 64 1HD PRO 64 -10.567 -10.565 4.433 482 2HD PRO 64 2HD PRO 64 -10.189 -12.273 4.325 483 H ARG 65 H ARG 65 -11.338 -9.033 2.761 484 HA ARG 65 HA ARG 65 -12.090 -7.288 0.867 485 1HB ARG 65 1HB ARG 65 -11.687 -7.241 3.657 486 2HB ARG 65 2HB ARG 65 -10.675 -5.932 3.080 487 1HG ARG 65 1HG ARG 65 -12.943 -5.480 1.594 488 2HG ARG 65 2HG ARG 65 -13.653 -6.197 3.027 489 1HD ARG 65 1HD ARG 65 -11.561 -4.053 3.412 490 2HD ARG 65 2HD ARG 65 -13.154 -3.557 2.876 491 HE ARG 65 HE ARG 65 -13.282 -5.396 5.136 492 1HH1 ARG 65 2HH2 ARG 65 -12.821 -2.027 4.233 493 2HH1 ARG 65 1HH2 ARG 65 -13.350 -1.411 5.763 494 1HH2 ARG 65 2HH1 ARG 65 -13.980 -4.585 7.155 495 2HH2 ARG 65 1HH1 ARG 65 -14.014 -2.877 7.436 496 H LEU 66 H LEU 66 -8.792 -8.054 2.008 497 HA LEU 66 HA LEU 66 -7.476 -5.832 0.956 498 1HB LEU 66 1HB LEU 66 -6.703 -8.605 1.758 499 2HB LEU 66 2HB LEU 66 -5.548 -7.625 0.877 500 HG LEU 66 HG LEU 66 -6.876 -6.504 3.328 501 1HD1 LEU 66 1HD1 LEU 66 -4.296 -7.990 3.625 502 2HD1 LEU 66 2HD1 LEU 66 -5.544 -7.604 4.834 503 3HD1 LEU 66 3HD1 LEU 66 -5.826 -8.900 3.646 504 1HD2 LEU 66 1HD2 LEU 66 -5.444 -5.128 1.756 505 2HD2 LEU 66 2HD2 LEU 66 -4.968 -5.114 3.471 506 3HD2 LEU 66 3HD2 LEU 66 -4.061 -6.106 2.304 507 H GLU 67 H GLU 67 -8.005 -9.139 -0.453 508 HA GLU 67 HA GLU 67 -6.807 -8.555 -2.864 509 1HB GLU 67 1HB GLU 67 -8.790 -10.608 -1.902 510 2HB GLU 67 2HB GLU 67 -8.524 -10.472 -3.629 511 1HG GLU 67 1HG GLU 67 -5.994 -10.449 -2.107 512 2HG GLU 67 2HG GLU 67 -6.927 -11.903 -1.814 513 H LYS 68 H LYS 68 -10.129 -7.991 -1.658 514 HA LYS 68 HA LYS 68 -11.427 -7.503 -4.025 515 1HB LYS 68 1HB LYS 68 -11.798 -6.129 -1.346 516 2HB LYS 68 2HB LYS 68 -12.952 -6.109 -2.664 517 1HG LYS 68 1HG LYS 68 -12.532 -8.809 -2.466 518 2HG LYS 68 2HG LYS 68 -12.230 -8.342 -0.803 519 1HD LYS 68 1HD LYS 68 -14.448 -8.067 -0.415 520 2HD LYS 68 2HD LYS 68 -14.588 -6.940 -1.749 521 1HE LYS 68 1HE LYS 68 -15.263 -8.582 -3.263 522 2HE LYS 68 2HE LYS 68 -14.357 -9.852 -2.464 523 1HZ LYS 68 1HZ LYS 68 -17.022 -9.234 -2.143 524 2HZ LYS 68 2HZ LYS 68 -16.167 -10.387 -1.364 525 3HZ LYS 68 3HZ LYS 68 -16.303 -8.894 -0.717 526 H ILE 69 H ILE 69 -9.241 -5.378 -2.117 527 HA ILE 69 HA ILE 69 -9.703 -3.113 -3.759 528 HB ILE 69 HB ILE 69 -7.559 -3.821 -1.760 529 1HG1 ILE 69 1HG1 ILE 69 -9.476 -1.637 -1.237 530 2HG1 ILE 69 2HG1 ILE 69 -10.202 -3.229 -1.342 531 1HG2 ILE 69 1HG2 ILE 69 -7.283 -1.935 -3.760 532 2HG2 ILE 69 2HG2 ILE 69 -7.879 -0.984 -2.379 533 3HG2 ILE 69 3HG2 ILE 69 -6.405 -1.967 -2.212 534 1HD1 ILE 69 1HD1 ILE 69 -9.603 -3.219 0.904 535 2HD1 ILE 69 2HD1 ILE 69 -8.119 -3.912 0.206 536 3HD1 ILE 69 3HD1 ILE 69 -8.181 -2.184 0.628 537 H LEU 70 H LEU 70 -6.864 -5.366 -3.439 538 HA LEU 70 HA LEU 70 -5.348 -4.425 -5.464 539 1HB LEU 70 1HB LEU 70 -5.827 -7.194 -4.413 540 2HB LEU 70 2HB LEU 70 -4.731 -6.933 -5.755 541 HG LEU 70 HG LEU 70 -4.163 -5.098 -3.569 542 1HD1 LEU 70 1HD1 LEU 70 -3.149 -7.094 -2.186 543 2HD1 LEU 70 2HD1 LEU 70 -4.829 -6.561 -1.933 544 3HD1 LEU 70 3HD1 LEU 70 -4.491 -8.002 -2.922 545 1HD2 LEU 70 1HD2 LEU 70 -1.892 -6.196 -3.814 546 2HD2 LEU 70 2HD2 LEU 70 -2.610 -7.183 -5.110 547 3HD2 LEU 70 3HD2 LEU 70 -2.551 -5.411 -5.269 548 H ARG 71 H ARG 71 -8.147 -6.700 -5.738 549 HA ARG 71 HA ARG 71 -8.017 -7.371 -8.293 550 1HB ARG 71 1HB ARG 71 -10.327 -6.667 -6.483 551 2HB ARG 71 2HB ARG 71 -10.690 -6.938 -8.176 552 1HG ARG 71 1HG ARG 71 -10.148 -9.195 -8.085 553 2HG ARG 71 2HG ARG 71 -8.899 -8.962 -6.878 554 1HD ARG 71 1HD ARG 71 -10.363 -9.216 -5.116 555 2HD ARG 71 2HD ARG 71 -11.645 -8.327 -5.915 556 HE ARG 71 HE ARG 71 -11.539 -10.640 -7.400 557 1HH1 ARG 71 2HH2 ARG 71 -11.746 -10.038 -3.940 558 2HH1 ARG 71 1HH2 ARG 71 -12.613 -11.501 -3.608 559 1HH2 ARG 71 2HH1 ARG 71 -12.683 -12.569 -6.964 560 2HH2 ARG 71 1HH1 ARG 71 -13.149 -12.950 -5.340 561 H ASN 72 H ASN 72 -9.159 -4.209 -6.976 562 HA ASN 72 HA ASN 72 -9.339 -3.257 -9.719 563 1HB ASN 72 1HB ASN 72 -10.518 -2.196 -7.102 564 2HB ASN 72 2HB ASN 72 -10.584 -1.289 -8.600 565 1HD2 ASN 72 1HD2 ASN 72 -12.801 -2.182 -7.108 566 2HD2 ASN 72 2HD2 ASN 72 -13.720 -3.300 -8.060 567 H LYS 73 H LYS 73 -6.744 -3.499 -9.003 568 HA LYS 73 HA LYS 73 -5.864 -1.143 -7.574 569 1HB LYS 73 1HB LYS 73 -3.668 -2.134 -7.698 570 2HB LYS 73 2HB LYS 73 -4.820 -3.340 -7.160 571 1HG LYS 73 1HG LYS 73 -4.938 -4.314 -9.420 572 2HG LYS 73 2HG LYS 73 -3.928 -3.035 -10.065 573 1HD LYS 73 1HD LYS 73 -1.994 -3.999 -9.298 574 2HD LYS 73 2HD LYS 73 -2.701 -4.423 -7.752 575 1HE LYS 73 1HE LYS 73 -2.276 -6.526 -8.782 576 2HE LYS 73 2HE LYS 73 -3.995 -6.281 -9.021 577 1HZ LYS 73 1HZ LYS 73 -3.707 -5.921 -11.214 578 2HZ LYS 73 2HZ LYS 73 -2.221 -5.260 -11.065 579 3HZ LYS 73 3HZ LYS 73 -2.406 -6.881 -10.982 580 H ALA 74 H ALA 74 -6.870 -1.902 -10.715 581 HA ALA 74 HA ALA 74 -5.027 0.052 -11.892 582 1HB ALA 74 1HB ALA 74 -5.765 -0.915 -14.045 583 2HB ALA 74 2HB ALA 74 -5.111 -2.167 -12.963 584 3HB ALA 74 3HB ALA 74 -6.870 -2.006 -13.175 585 H LYS 75 H LYS 75 -8.369 -0.631 -10.960 586 HA LYS 75 HA LYS 75 -9.436 1.521 -12.532 587 1HB LYS 75 1HB LYS 75 -10.710 -0.140 -10.336 588 2HB LYS 75 2HB LYS 75 -11.549 0.942 -11.429 589 1HG LYS 75 1HG LYS 75 -9.858 -1.408 -12.396 590 2HG LYS 75 2HG LYS 75 -11.578 -1.536 -12.085 591 1HD LYS 75 1HD LYS 75 -11.780 0.554 -13.688 592 2HD LYS 75 2HD LYS 75 -10.165 0.113 -14.206 593 1HE LYS 75 1HE LYS 75 -10.876 -1.808 -15.279 594 2HE LYS 75 2HE LYS 75 -12.106 -2.155 -14.079 595 1HZ LYS 75 1HZ LYS 75 -12.357 -0.756 -16.509 596 2HZ LYS 75 2HZ LYS 75 -13.528 -1.339 -15.531 597 3HZ LYS 75 3HZ LYS 75 -12.914 0.152 -15.271 598 H ILE 76 H ILE 76 -8.265 0.956 -9.206 599 HA ILE 76 HA ILE 76 -9.343 3.162 -7.966 600 HB ILE 76 HB ILE 76 -6.857 1.540 -7.591 601 1HG1 ILE 76 1HG1 ILE 76 -9.167 2.001 -5.697 602 2HG1 ILE 76 2HG1 ILE 76 -9.232 0.796 -6.968 603 1HG2 ILE 76 1HG2 ILE 76 -7.596 4.019 -6.014 604 2HG2 ILE 76 2HG2 ILE 76 -6.420 2.791 -5.486 605 3HG2 ILE 76 3HG2 ILE 76 -6.115 3.739 -6.962 606 1HD1 ILE 76 1HD1 ILE 76 -7.187 -0.294 -6.077 607 2HD1 ILE 76 2HD1 ILE 76 -7.081 0.946 -4.804 608 3HD1 ILE 76 3HD1 ILE 76 -8.450 -0.191 -4.827 609 H LYS 77 H LYS 77 -8.609 5.320 -7.598 610 HA LYS 77 HA LYS 77 -6.368 6.243 -9.169 611 1HB LYS 77 1HB LYS 77 -8.685 6.225 -10.514 612 2HB LYS 77 2HB LYS 77 -8.905 7.738 -9.658 613 1HG LYS 77 1HG LYS 77 -6.274 7.968 -10.506 614 2HG LYS 77 2HG LYS 77 -6.980 7.049 -11.820 615 1HD LYS 77 1HD LYS 77 -8.548 8.752 -12.351 616 2HD LYS 77 2HD LYS 77 -8.429 9.495 -10.769 617 1HE LYS 77 1HE LYS 77 -5.871 9.410 -12.311 618 2HE LYS 77 2HE LYS 77 -7.123 10.417 -13.013 619 1HZ LYS 77 1HZ LYS 77 -6.448 10.612 -10.173 620 2HZ LYS 77 2HZ LYS 77 -5.617 11.449 -11.302 621 3HZ LYS 77 3HZ LYS 77 -7.218 11.707 -11.109 622 H PHE 78 H PHE 78 -5.526 8.239 -8.397 623 HA PHE 78 HA PHE 78 -6.674 8.987 -5.806 624 1HB PHE 78 1HB PHE 78 -3.915 8.943 -7.110 625 2HB PHE 78 2HB PHE 78 -4.192 10.055 -5.784 626 HD1 PHE 78 1HD PHE 78 -5.270 6.522 -6.353 627 HD2 PHE 78 2HD PHE 78 -3.139 9.251 -3.900 628 HE1 PHE 78 1HE PHE 78 -4.801 4.681 -4.712 629 HE2 PHE 78 2HE PHE 78 -2.670 7.410 -2.259 630 HZ PHE 78 HZ PHE 78 -3.507 5.148 -2.684 631 H ILE 79 H ILE 79 -7.731 10.906 -5.706 632 HA ILE 79 HA ILE 79 -7.275 12.800 -7.872 633 HB ILE 79 HB ILE 79 -9.400 12.789 -5.728 634 1HG1 ILE 79 1HG1 ILE 79 -9.933 10.848 -6.833 635 2HG1 ILE 79 2HG1 ILE 79 -10.813 12.022 -7.791 636 1HG2 ILE 79 1HG2 ILE 79 -9.846 14.830 -6.479 637 2HG2 ILE 79 2HG2 ILE 79 -8.644 14.682 -7.784 638 3HG2 ILE 79 3HG2 ILE 79 -10.305 14.092 -8.032 639 1HD1 ILE 79 1HD1 ILE 79 -8.242 10.576 -8.461 640 2HD1 ILE 79 2HD1 ILE 79 -9.710 10.775 -9.448 641 3HD1 ILE 79 3HD1 ILE 79 -8.595 12.144 -9.225 642 H ILE 80 H ILE 80 -6.126 14.651 -7.616 643 HA ILE 80 HA ILE 80 -5.608 15.501 -4.857 644 HB ILE 80 HB ILE 80 -3.574 15.427 -7.087 645 1HG1 ILE 80 1HG1 ILE 80 -4.406 13.195 -5.962 646 2HG1 ILE 80 2HG1 ILE 80 -2.706 13.474 -6.279 647 1HG2 ILE 80 1HG2 ILE 80 -3.214 16.070 -4.149 648 2HG2 ILE 80 2HG2 ILE 80 -1.976 16.119 -5.426 649 3HG2 ILE 80 3HG2 ILE 80 -3.325 17.280 -5.449 650 1HD1 ILE 80 1HD1 ILE 80 -4.110 14.012 -3.621 651 2HD1 ILE 80 2HD1 ILE 80 -3.056 12.623 -3.977 652 3HD1 ILE 80 3HD1 ILE 80 -2.379 14.269 -3.946 653 H LYS 81 H LYS 81 -6.621 17.416 -4.599 654 HA LYS 81 HA LYS 81 -6.846 19.138 -6.949 655 1HB LYS 81 1HB LYS 81 -8.293 19.350 -4.295 656 2HB LYS 81 2HB LYS 81 -8.640 20.241 -5.763 657 1HG LYS 81 1HG LYS 81 -8.980 17.916 -6.891 658 2HG LYS 81 2HG LYS 81 -8.999 17.259 -5.266 659 1HD LYS 81 1HD LYS 81 -10.991 18.394 -4.679 660 2HD LYS 81 2HD LYS 81 -10.780 19.619 -5.913 661 1HE LYS 81 1HE LYS 81 -10.927 17.092 -7.271 662 2HE LYS 81 2HE LYS 81 -12.220 17.107 -6.088 663 1HZ LYS 81 1HZ LYS 81 -12.007 18.573 -8.472 664 2HZ LYS 81 2HZ LYS 81 -13.300 18.393 -7.490 665 3HZ LYS 81 3HZ LYS 81 -12.226 19.593 -7.215 666 H LYS 82 H LYS 82 -5.055 18.662 -4.025 667 HA LYS 82 HA LYS 82 -3.938 21.350 -4.360 668 1HB LYS 82 1HB LYS 82 -4.838 20.035 -1.793 669 2HB LYS 82 2HB LYS 82 -3.640 21.314 -1.808 670 1HG LYS 82 1HG LYS 82 -5.489 22.512 -3.377 671 2HG LYS 82 2HG LYS 82 -6.567 21.442 -2.504 672 1HD LYS 82 1HD LYS 82 -6.011 22.400 -0.388 673 2HD LYS 82 2HD LYS 82 -4.536 23.124 -0.998 674 1HE LYS 82 1HE LYS 82 -6.369 24.344 -2.636 675 2HE LYS 82 2HE LYS 82 -7.359 24.096 -1.211 676 1HZ LYS 82 1HZ LYS 82 -5.176 25.021 -0.094 677 2HZ LYS 82 2HZ LYS 82 -5.035 25.764 -1.542 678 3HZ LYS 82 3HZ LYS 82 -6.368 26.002 -0.629 679 HA PRO 83 HA PRO 83 -0.710 18.244 -4.636 680 1HB PRO 83 1HB PRO 83 0.557 19.277 -6.826 681 2HB PRO 83 2HB PRO 83 -0.678 18.038 -6.929 682 1HG PRO 83 1HG PRO 83 -0.883 20.917 -7.569 683 2HG PRO 83 2HG PRO 83 -1.940 19.606 -8.055 684 1HD PRO 83 1HD PRO 83 -2.445 21.550 -6.007 685 2HD PRO 83 2HD PRO 83 -3.448 20.171 -6.414 686 H GLU 84 H GLU 84 -0.672 21.691 -4.583 687 HA GLU 84 HA GLU 84 2.039 21.994 -4.122 688 1HB GLU 84 1HB GLU 84 1.433 24.230 -3.271 689 2HB GLU 84 2HB GLU 84 0.536 23.856 -4.729 690 1HG GLU 84 1HG GLU 84 -1.406 23.100 -3.282 691 2HG GLU 84 2HG GLU 84 -0.509 23.620 -1.868 692 H MET 85 H MET 85 -0.645 21.004 -2.026 693 HA MET 85 HA MET 85 0.806 21.477 0.370 694 1HB MET 85 1HB MET 85 -1.823 20.200 -0.441 695 2HB MET 85 2HB MET 85 -1.201 19.832 1.156 696 1HG MET 85 1HG MET 85 -1.175 22.729 0.378 697 2HG MET 85 2HG MET 85 -2.757 22.015 0.620 698 1HE MET 85 1HE MET 85 -1.871 19.709 3.079 699 2HE MET 85 2HE MET 85 -2.778 20.763 4.190 700 3HE MET 85 3HE MET 85 -3.342 20.538 2.517 701 H PHE 86 H PHE 86 0.648 18.945 -2.031 702 HA PHE 86 HA PHE 86 1.429 16.840 -0.261 703 1HB PHE 86 1HB PHE 86 0.802 17.367 -3.135 704 2HB PHE 86 2HB PHE 86 2.064 16.168 -2.933 705 HD1 PHE 86 1HD PHE 86 -1.227 16.944 -1.328 706 HD2 PHE 86 2HD PHE 86 1.340 13.991 -2.970 707 HE1 PHE 86 1HE PHE 86 -2.966 15.188 -0.888 708 HE2 PHE 86 2HE PHE 86 -0.398 12.235 -2.530 709 HZ PHE 86 HZ PHE 86 -2.530 12.854 -1.494 710 H GLU 87 H GLU 87 3.028 19.309 -2.244 711 HA GLU 87 HA GLU 87 5.411 18.214 -2.769 712 1HB GLU 87 1HB GLU 87 4.342 20.774 -2.785 713 2HB GLU 87 2HB GLU 87 5.643 20.938 -1.623 714 1HG GLU 87 1HG GLU 87 6.540 19.379 -3.930 715 2HG GLU 87 2HG GLU 87 5.864 20.908 -4.457 716 H THR 88 H THR 88 4.315 19.584 0.388 717 HA THR 88 HA THR 88 6.730 19.391 1.745 718 HB THR 88 HB THR 88 3.812 19.161 2.645 719 HG1 THR 88 1HG THR 88 4.460 21.462 3.187 720 1HG2 THR 88 1HG2 THR 88 5.911 18.466 4.263 721 2HG2 THR 88 2HG2 THR 88 5.965 20.237 4.438 722 3HG2 THR 88 3HG2 THR 88 4.484 19.346 4.862 723 H ALA 89 H ALA 89 4.209 16.907 1.121 724 HA ALA 89 HA ALA 89 5.491 14.979 2.776 725 1HB ALA 89 1HB ALA 89 3.725 14.011 0.619 726 2HB ALA 89 2HB ALA 89 3.594 13.805 2.382 727 3HB ALA 89 3HB ALA 89 3.004 15.298 1.614 728 H ILE 90 H ILE 90 5.540 15.875 -0.703 729 HA ILE 90 HA ILE 90 6.986 13.629 -1.557 730 HB ILE 90 HB ILE 90 6.799 16.407 -2.728 731 1HG1 ILE 90 1HG1 ILE 90 5.167 13.950 -3.413 732 2HG1 ILE 90 2HG1 ILE 90 4.621 15.199 -2.311 733 1HG2 ILE 90 1HG2 ILE 90 7.367 13.918 -4.308 734 2HG2 ILE 90 2HG2 ILE 90 7.703 15.621 -4.702 735 3HG2 ILE 90 3HG2 ILE 90 8.689 14.779 -3.483 736 1HD1 ILE 90 1HD1 ILE 90 5.648 16.069 -5.007 737 2HD1 ILE 90 2HD1 ILE 90 4.043 15.304 -4.922 738 3HD1 ILE 90 3HD1 ILE 90 4.371 16.788 -3.995 739 H LYS 91 H LYS 91 7.873 16.587 0.146 740 HA LYS 91 HA LYS 91 10.653 16.369 -0.510 741 1HB LYS 91 1HB LYS 91 8.929 18.338 0.558 742 2HB LYS 91 2HB LYS 91 10.098 17.992 1.816 743 1HG LYS 91 1HG LYS 91 11.873 18.132 -0.142 744 2HG LYS 91 2HG LYS 91 10.603 18.973 -1.009 745 1HD LYS 91 1HD LYS 91 10.749 20.851 0.316 746 2HD LYS 91 2HD LYS 91 11.012 19.928 1.782 747 1HE LYS 91 1HE LYS 91 13.362 19.626 1.294 748 2HE LYS 91 2HE LYS 91 13.165 20.167 -0.361 749 1HZ LYS 91 1HZ LYS 91 12.245 22.251 1.013 750 2HZ LYS 91 2HZ LYS 91 13.407 21.715 2.028 751 3HZ LYS 91 3HZ LYS 91 13.785 22.109 0.489 752 H GLU 92 H GLU 92 8.778 16.043 2.592 753 HA GLU 92 HA GLU 92 10.980 14.544 3.659 754 1HB GLU 92 1HB GLU 92 8.316 15.391 4.879 755 2HB GLU 92 2HB GLU 92 9.580 14.557 5.760 756 1HG GLU 92 1HG GLU 92 10.768 16.811 4.384 757 2HG GLU 92 2HG GLU 92 9.346 17.376 5.238 758 H SER 93 H SER 93 9.958 13.187 1.468 759 HA SER 93 HA SER 93 7.875 11.457 2.092 760 1HB SER 93 1HB SER 93 8.736 10.128 0.139 761 2HB SER 93 2HB SER 93 8.523 11.831 -0.216 762 HG SER 93 HG SER 93 10.573 10.956 -0.999 763 H SER 94 H SER 94 7.861 9.865 3.633 764 HA SER 94 HA SER 94 10.429 8.832 4.473 765 1HB SER 94 1HB SER 94 8.663 9.724 6.110 766 2HB SER 94 2HB SER 94 7.700 8.312 5.723 767 HG SER 94 HG SER 94 10.217 8.467 7.091 768 H GLY 95 H GLY 95 7.273 7.866 3.059 769 1HA GLY 95 1HA GLY 95 6.813 6.084 1.727 770 2HA GLY 95 2HA GLY 95 8.452 5.498 1.927 771 HA PRO 96 HA PRO 96 6.046 2.639 4.383 772 1HB PRO 96 1HB PRO 96 7.477 0.399 3.750 773 2HB PRO 96 2HB PRO 96 6.070 0.924 2.847 774 1HG PRO 96 1HG PRO 96 8.926 1.120 2.109 775 2HG PRO 96 2HG PRO 96 7.515 1.238 1.077 776 1HD PRO 96 1HD PRO 96 9.144 3.407 2.011 777 2HD PRO 96 2HD PRO 96 7.667 3.532 1.076 778 H SER 97 H SER 97 6.478 3.462 6.394 779 HA SER 97 HA SER 97 7.454 3.530 8.330 780 1HB SER 97 1HB SER 97 8.090 0.882 7.341 781 2HB SER 97 2HB SER 97 9.445 1.470 8.283 782 HG SER 97 HG SER 97 8.310 1.041 10.035 783 H SER 98 H SER 98 10.335 2.111 6.664 784 HA SER 98 HA SER 98 11.550 4.746 6.725 785 1HB SER 98 1HB SER 98 12.211 3.420 8.788 786 2HB SER 98 2HB SER 98 12.946 2.229 7.734 787 HG SER 98 HG SER 98 13.777 4.823 7.134 788 H GLY 99 H GLY 99 13.000 5.124 4.988 789 1HA GLY 99 1HA GLY 99 13.124 2.939 3.002 790 2HA GLY 99 2HA GLY 99 13.099 4.653 2.637 Start of MODEL 7 1 1H GLY 1 H GLY 1 -4.129 -8.572 17.357 2 1HA GLY 1 1HA GLY 1 -6.568 -7.975 16.629 3 2HA GLY 1 2HA GLY 1 -5.224 -7.674 15.546 4 H SER 2 H SER 2 -4.646 -9.380 13.925 5 HA SER 2 HA SER 2 -6.438 -11.518 13.543 6 1HB SER 2 1HB SER 2 -7.918 -9.738 12.716 7 2HB SER 2 2HB SER 2 -6.656 -9.123 11.667 8 HG SER 2 HG SER 2 -8.129 -10.447 10.472 9 H SER 3 H SER 3 -4.177 -12.388 13.681 10 HA SER 3 HA SER 3 -2.358 -11.672 11.640 11 1HB SER 3 1HB SER 3 -2.449 -13.603 13.922 12 2HB SER 3 2HB SER 3 -1.378 -14.036 12.604 13 HG SER 3 HG SER 3 -0.122 -12.252 12.956 14 H GLY 4 H GLY 4 -3.158 -12.088 9.558 15 1HA GLY 4 1HA GLY 4 -3.651 -14.932 8.945 16 2HA GLY 4 2HA GLY 4 -4.770 -13.695 8.406 17 H SER 5 H SER 5 -3.947 -11.944 6.957 18 HA SER 5 HA SER 5 -2.113 -13.101 5.095 19 1HB SER 5 1HB SER 5 -2.684 -10.626 4.069 20 2HB SER 5 2HB SER 5 -3.671 -12.049 3.805 21 HG SER 5 HG SER 5 -4.189 -9.766 5.355 22 H SER 6 H SER 6 -0.464 -11.400 4.037 23 HA SER 6 HA SER 6 0.568 -9.524 5.910 24 1HB SER 6 1HB SER 6 1.852 -12.201 5.511 25 2HB SER 6 2HB SER 6 2.932 -10.821 5.530 26 HG SER 6 HG SER 6 2.506 -11.830 7.664 27 H GLY 7 H GLY 7 1.120 -11.506 2.932 28 1HA GLY 7 1HA GLY 7 2.857 -9.692 1.650 29 2HA GLY 7 2HA GLY 7 1.921 -10.970 0.900 30 H LEU 8 H LEU 8 -0.685 -10.369 1.118 31 HA LEU 8 HA LEU 8 -1.230 -8.555 -0.777 32 1HB LEU 8 1HB LEU 8 -2.860 -9.324 1.642 33 2HB LEU 8 2HB LEU 8 -3.495 -8.360 0.324 34 HG LEU 8 HG LEU 8 -2.435 -11.191 0.102 35 1HD1 LEU 8 1HD1 LEU 8 -4.891 -11.614 -0.523 36 2HD1 LEU 8 2HD1 LEU 8 -4.493 -11.363 1.194 37 3HD1 LEU 8 3HD1 LEU 8 -5.218 -10.042 0.247 38 1HD2 LEU 8 1HD2 LEU 8 -3.405 -11.082 -2.211 39 2HD2 LEU 8 2HD2 LEU 8 -3.566 -9.323 -1.994 40 3HD2 LEU 8 3HD2 LEU 8 -1.956 -10.081 -1.953 41 H LYS 9 H LYS 9 -1.236 -7.850 2.789 42 HA LYS 9 HA LYS 9 -1.848 -5.220 2.717 43 1HB LYS 9 1HB LYS 9 -0.455 -7.032 4.529 44 2HB LYS 9 2HB LYS 9 0.166 -5.398 4.647 45 1HG LYS 9 1HG LYS 9 -1.991 -4.490 5.180 46 2HG LYS 9 2HG LYS 9 -2.829 -5.926 4.627 47 1HD LYS 9 1HD LYS 9 -1.070 -6.883 6.619 48 2HD LYS 9 2HD LYS 9 -1.650 -5.359 7.260 49 1HE LYS 9 1HE LYS 9 -4.010 -6.081 6.870 50 2HE LYS 9 2HE LYS 9 -3.442 -7.598 6.201 51 1HZ LYS 9 1HZ LYS 9 -4.013 -7.261 8.744 52 2HZ LYS 9 2HZ LYS 9 -2.928 -8.364 8.223 53 3HZ LYS 9 3HZ LYS 9 -2.416 -6.926 8.803 54 H GLN 10 H GLN 10 1.537 -6.543 2.537 55 HA GLN 10 HA GLN 10 2.776 -4.173 2.098 56 1HB GLN 10 1HB GLN 10 3.553 -6.798 2.226 57 2HB GLN 10 2HB GLN 10 3.818 -6.484 0.522 58 1HG GLN 10 1HG GLN 10 4.870 -4.194 1.739 59 2HG GLN 10 2HG GLN 10 5.296 -5.461 2.872 60 1HE2 GLN 10 1HE2 GLN 10 6.542 -3.761 0.524 61 2HE2 GLN 10 2HE2 GLN 10 7.574 -4.893 -0.285 62 H LYS 11 H LYS 11 1.374 -6.444 -0.357 63 HA LYS 11 HA LYS 11 2.126 -4.993 -2.599 64 1HB LYS 11 1HB LYS 11 -0.151 -6.914 -2.070 65 2HB LYS 11 2HB LYS 11 0.150 -6.224 -3.652 66 1HG LYS 11 1HG LYS 11 2.038 -7.492 -4.000 67 2HG LYS 11 2HG LYS 11 2.579 -7.333 -2.340 68 1HD LYS 11 1HD LYS 11 0.315 -8.889 -2.010 69 2HD LYS 11 2HD LYS 11 0.867 -9.432 -3.582 70 1HE LYS 11 1HE LYS 11 3.174 -9.210 -1.849 71 2HE LYS 11 2HE LYS 11 1.935 -10.105 -0.992 72 1HZ LYS 11 1HZ LYS 11 2.546 -10.757 -3.771 73 2HZ LYS 11 2HZ LYS 11 3.479 -11.343 -2.566 74 3HZ LYS 11 3HZ LYS 11 1.888 -11.708 -2.617 75 H VAL 12 H VAL 12 -0.784 -4.761 -0.478 76 HA VAL 12 HA VAL 12 -2.033 -2.786 -2.064 77 HB VAL 12 HB VAL 12 -2.375 -3.477 0.861 78 1HG1 VAL 12 1HG1 VAL 12 -4.553 -2.466 0.708 79 2HG1 VAL 12 2HG1 VAL 12 -3.354 -1.286 0.127 80 3HG1 VAL 12 3HG1 VAL 12 -4.357 -2.183 -1.038 81 1HG2 VAL 12 1HG2 VAL 12 -3.553 -5.307 0.296 82 2HG2 VAL 12 2HG2 VAL 12 -4.357 -4.487 -1.063 83 3HG2 VAL 12 3HG2 VAL 12 -2.730 -5.176 -1.277 84 H GLU 13 H GLU 13 0.403 -2.771 0.536 85 HA GLU 13 HA GLU 13 0.164 -0.115 1.240 86 1HB GLU 13 1HB GLU 13 2.241 -2.246 1.485 87 2HB GLU 13 2HB GLU 13 2.826 -0.603 1.649 88 1HG GLU 13 1HG GLU 13 0.360 -1.515 3.171 89 2HG GLU 13 2HG GLU 13 1.962 -1.865 3.788 90 H ASN 14 H ASN 14 2.311 -1.720 -1.207 91 HA ASN 14 HA ASN 14 3.520 0.645 -2.014 92 1HB ASN 14 1HB ASN 14 3.304 -2.167 -3.002 93 2HB ASN 14 2HB ASN 14 3.625 -0.991 -4.261 94 1HD2 ASN 14 1HD2 ASN 14 4.685 -2.173 -1.108 95 2HD2 ASN 14 2HD2 ASN 14 6.359 -1.752 -1.251 96 H LEU 15 H LEU 15 0.588 -1.177 -3.048 97 HA LEU 15 HA LEU 15 0.000 -0.039 -5.430 98 1HB LEU 15 1HB LEU 15 -1.499 -1.626 -4.917 99 2HB LEU 15 2HB LEU 15 -1.517 -1.231 -3.210 100 HG LEU 15 HG LEU 15 -3.005 0.679 -3.648 101 1HD1 LEU 15 1HD1 LEU 15 -4.089 0.430 -6.107 102 2HD1 LEU 15 2HD1 LEU 15 -2.771 1.560 -5.711 103 3HD1 LEU 15 3HD1 LEU 15 -2.401 -0.009 -6.465 104 1HD2 LEU 15 1HD2 LEU 15 -4.189 -1.216 -3.014 105 2HD2 LEU 15 2HD2 LEU 15 -4.990 -0.732 -4.528 106 3HD2 LEU 15 3HD2 LEU 15 -3.826 -2.079 -4.528 107 H PHE 16 H PHE 16 -1.370 1.215 -2.303 108 HA PHE 16 HA PHE 16 -2.337 3.557 -3.291 109 1HB PHE 16 1HB PHE 16 -0.937 2.925 -0.623 110 2HB PHE 16 2HB PHE 16 -1.973 4.318 -0.864 111 HD1 PHE 16 1HD PHE 16 -2.187 1.858 1.083 112 HD2 PHE 16 2HD PHE 16 -4.078 2.891 -2.573 113 HE1 PHE 16 1HE PHE 16 -4.186 0.484 1.729 114 HE2 PHE 16 2HE PHE 16 -6.077 1.517 -1.927 115 HZ PHE 16 HZ PHE 16 -6.107 0.330 0.215 116 H ASN 17 H ASN 17 0.857 3.190 -1.578 117 HA ASN 17 HA ASN 17 1.811 5.630 -1.803 118 1HB ASN 17 1HB ASN 17 3.153 2.935 -2.201 119 2HB ASN 17 2HB ASN 17 4.113 4.390 -2.385 120 1HD2 ASN 17 1HD2 ASN 17 5.068 5.131 -0.658 121 2HD2 ASN 17 2HD2 ASN 17 4.609 4.874 0.992 122 H GLU 18 H GLU 18 2.405 3.059 -4.332 123 HA GLU 18 HA GLU 18 3.579 4.605 -6.197 124 1HB GLU 18 1HB GLU 18 2.146 2.045 -6.140 125 2HB GLU 18 2HB GLU 18 1.950 2.848 -7.685 126 1HG GLU 18 1HG GLU 18 4.726 2.968 -6.642 127 2HG GLU 18 2HG GLU 18 4.161 1.334 -6.923 128 H LYS 19 H LYS 19 0.016 3.944 -5.891 129 HA LYS 19 HA LYS 19 -0.862 5.414 -8.010 130 1HB LYS 19 1HB LYS 19 -2.096 4.930 -5.290 131 2HB LYS 19 2HB LYS 19 -2.955 5.726 -6.593 132 1HG LYS 19 1HG LYS 19 -1.730 2.929 -6.719 133 2HG LYS 19 2HG LYS 19 -3.437 3.287 -6.551 134 1HD LYS 19 1HD LYS 19 -2.598 4.788 -8.809 135 2HD LYS 19 2HD LYS 19 -1.788 3.243 -8.972 136 1HE LYS 19 1HE LYS 19 -3.767 2.070 -9.257 137 2HE LYS 19 2HE LYS 19 -4.667 3.102 -8.165 138 1HZ LYS 19 1HZ LYS 19 -3.738 4.148 -10.726 139 2HZ LYS 19 2HZ LYS 19 -5.108 3.263 -10.648 140 3HZ LYS 19 3HZ LYS 19 -4.987 4.657 -9.806 141 H CYS 20 H CYS 20 0.110 6.548 -4.735 142 HA CYS 20 HA CYS 20 -0.726 9.177 -5.066 143 1HB CYS 20 1HB CYS 20 0.008 7.988 -2.921 144 2HB CYS 20 2HB CYS 20 1.659 8.317 -3.410 145 HG CYS 20 HG CYS 20 1.648 10.797 -3.337 146 H GLY 21 H GLY 21 2.604 7.716 -5.363 147 1HA GLY 21 1HA GLY 21 3.893 9.939 -6.396 148 2HA GLY 21 2HA GLY 21 4.363 8.269 -6.645 149 H GLU 22 H GLU 22 1.567 7.746 -7.903 150 HA GLU 22 HA GLU 22 2.430 8.428 -10.542 151 1HB GLU 22 1HB GLU 22 0.539 6.526 -9.293 152 2HB GLU 22 2HB GLU 22 -0.059 7.206 -10.794 153 1HG GLU 22 1HG GLU 22 2.109 6.574 -11.915 154 2HG GLU 22 2HG GLU 22 2.650 5.841 -10.417 155 H ALA 23 H ALA 23 -0.085 9.377 -8.190 156 HA ALA 23 HA ALA 23 -1.761 10.756 -9.937 157 1HB ALA 23 1HB ALA 23 -2.449 10.168 -7.693 158 2HB ALA 23 2HB ALA 23 -1.122 11.119 -6.984 159 3HB ALA 23 3HB ALA 23 -2.458 11.943 -7.824 160 H LEU 24 H LEU 24 1.192 11.755 -8.116 161 HA LEU 24 HA LEU 24 1.020 14.458 -8.916 162 1HB LEU 24 1HB LEU 24 3.220 12.741 -7.781 163 2HB LEU 24 2HB LEU 24 3.468 14.426 -8.194 164 HG LEU 24 HG LEU 24 3.045 14.274 -5.846 165 1HD1 LEU 24 1HD1 LEU 24 1.852 16.055 -7.382 166 2HD1 LEU 24 2HD1 LEU 24 0.379 15.247 -6.791 167 3HD1 LEU 24 3HD1 LEU 24 1.523 15.971 -5.634 168 1HD2 LEU 24 1HD2 LEU 24 1.052 13.291 -4.873 169 2HD2 LEU 24 2HD2 LEU 24 0.445 12.854 -6.488 170 3HD2 LEU 24 3HD2 LEU 24 1.918 12.082 -5.852 171 H GLY 25 H GLY 25 1.930 11.517 -10.530 172 1HA GLY 25 1HA GLY 25 2.193 11.455 -12.854 173 2HA GLY 25 2HA GLY 25 2.790 13.103 -12.846 174 H LEU 26 H LEU 26 3.758 10.297 -10.765 175 HA LEU 26 HA LEU 26 6.409 10.449 -12.013 176 1HB LEU 26 1HB LEU 26 5.968 10.002 -9.068 177 2HB LEU 26 2HB LEU 26 7.480 10.283 -9.909 178 HG LEU 26 HG LEU 26 5.274 12.349 -9.727 179 1HD1 LEU 26 1HD1 LEU 26 6.866 11.407 -7.610 180 2HD1 LEU 26 2HD1 LEU 26 7.577 12.962 -8.104 181 3HD1 LEU 26 3HD1 LEU 26 5.858 12.873 -7.652 182 1HD2 LEU 26 1HD2 LEU 26 6.817 13.907 -10.557 183 2HD2 LEU 26 2HD2 LEU 26 8.202 12.823 -10.278 184 3HD2 LEU 26 3HD2 LEU 26 7.037 12.464 -11.576 185 H LYS 27 H LYS 27 7.724 8.372 -11.356 186 HA LYS 27 HA LYS 27 5.855 6.118 -11.593 187 1HB LYS 27 1HB LYS 27 8.265 6.877 -13.101 188 2HB LYS 27 2HB LYS 27 8.272 5.211 -12.558 189 1HG LYS 27 1HG LYS 27 5.684 5.401 -13.447 190 2HG LYS 27 2HG LYS 27 6.450 6.566 -14.508 191 1HD LYS 27 1HD LYS 27 8.155 4.835 -15.155 192 2HD LYS 27 2HD LYS 27 7.348 3.671 -14.123 193 1HE LYS 27 1HE LYS 27 5.802 5.129 -16.297 194 2HE LYS 27 2HE LYS 27 6.760 3.714 -16.686 195 1HZ LYS 27 1HZ LYS 27 5.521 2.525 -14.965 196 2HZ LYS 27 2HZ LYS 27 4.581 3.837 -14.720 197 3HZ LYS 27 3HZ LYS 27 4.550 3.069 -16.160 198 H GLN 28 H GLN 28 6.957 7.562 -9.146 199 HA GLN 28 HA GLN 28 8.324 5.233 -8.038 200 1HB GLN 28 1HB GLN 28 9.094 7.123 -6.299 201 2HB GLN 28 2HB GLN 28 9.983 6.815 -7.777 202 1HG GLN 28 1HG GLN 28 7.697 8.789 -7.862 203 2HG GLN 28 2HG GLN 28 9.203 9.291 -7.121 204 1HE2 GLN 28 1HE2 GLN 28 10.536 10.286 -8.407 205 2HE2 GLN 28 2HE2 GLN 28 10.742 10.044 -10.110 206 H ALA 29 H ALA 29 8.046 5.264 -5.460 207 HA ALA 29 HA ALA 29 5.167 5.458 -5.040 208 1HB ALA 29 1HB ALA 29 7.310 3.673 -4.235 209 2HB ALA 29 2HB ALA 29 6.447 4.292 -2.807 210 3HB ALA 29 3HB ALA 29 5.549 3.455 -4.096 211 H VAL 30 H VAL 30 4.403 6.293 -2.883 212 HA VAL 30 HA VAL 30 6.169 7.983 -1.418 213 HB VAL 30 HB VAL 30 5.993 9.601 -3.027 214 1HG1 VAL 30 1HG1 VAL 30 3.356 9.924 -3.872 215 2HG1 VAL 30 2HG1 VAL 30 4.676 9.151 -4.781 216 3HG1 VAL 30 3HG1 VAL 30 3.575 8.159 -3.795 217 1HG2 VAL 30 1HG2 VAL 30 3.452 10.177 -1.476 218 2HG2 VAL 30 2HG2 VAL 30 5.086 10.365 -0.795 219 3HG2 VAL 30 3HG2 VAL 30 4.587 11.345 -2.195 220 H LYS 31 H LYS 31 5.502 7.704 0.643 221 HA LYS 31 HA LYS 31 3.375 6.306 1.459 222 1HB LYS 31 1HB LYS 31 5.371 7.725 2.678 223 2HB LYS 31 2HB LYS 31 3.961 8.634 3.182 224 1HG LYS 31 1HG LYS 31 2.989 6.142 3.614 225 2HG LYS 31 2HG LYS 31 4.695 5.777 3.777 226 1HD LYS 31 1HD LYS 31 4.968 7.214 5.640 227 2HD LYS 31 2HD LYS 31 3.557 8.172 5.238 228 1HE LYS 31 1HE LYS 31 2.322 6.904 6.654 229 2HE LYS 31 2HE LYS 31 2.593 5.515 5.620 230 1HZ LYS 31 1HZ LYS 31 4.119 4.721 7.006 231 2HZ LYS 31 2HZ LYS 31 4.808 6.171 7.305 232 3HZ LYS 31 3HZ LYS 31 3.466 5.722 8.120 233 H VAL 32 H VAL 32 1.217 6.733 2.202 234 HA VAL 32 HA VAL 32 0.032 8.989 0.769 235 HB VAL 32 HB VAL 32 -1.031 6.371 1.821 236 1HG1 VAL 32 1HG1 VAL 32 -2.971 7.447 2.214 237 2HG1 VAL 32 2HG1 VAL 32 -2.472 8.888 1.297 238 3HG1 VAL 32 3HG1 VAL 32 -3.131 7.472 0.442 239 1HG2 VAL 32 1HG2 VAL 32 -0.015 7.272 -0.705 240 2HG2 VAL 32 2HG2 VAL 32 -0.626 5.662 -0.252 241 3HG2 VAL 32 3HG2 VAL 32 -1.745 6.894 -0.883 242 HA PRO 33 HA PRO 33 -0.290 10.780 4.766 243 1HB PRO 33 1HB PRO 33 -0.879 13.314 3.931 244 2HB PRO 33 2HB PRO 33 0.760 12.724 4.119 245 1HG PRO 33 1HG PRO 33 -0.773 13.171 1.632 246 2HG PRO 33 2HG PRO 33 0.958 12.998 1.838 247 1HD PRO 33 1HD PRO 33 -0.858 11.016 0.838 248 2HD PRO 33 2HD PRO 33 0.853 10.806 1.153 249 H PHE 34 H PHE 34 -2.110 9.272 5.061 250 HA PHE 34 HA PHE 34 -4.639 9.879 4.191 251 1HB PHE 34 1HB PHE 34 -3.513 8.645 6.770 252 2HB PHE 34 2HB PHE 34 -5.226 8.599 6.403 253 HD1 PHE 34 1HD PHE 34 -1.943 7.256 5.559 254 HD2 PHE 34 2HD PHE 34 -6.072 7.203 4.582 255 HE1 PHE 34 1HE PHE 34 -1.601 5.155 4.229 256 HE2 PHE 34 2HE PHE 34 -5.731 5.102 3.253 257 HZ PHE 34 HZ PHE 34 -3.499 4.103 3.092 258 H ALA 35 H ALA 35 -2.656 11.586 6.489 259 HA ALA 35 HA ALA 35 -4.793 12.666 8.032 260 1HB ALA 35 1HB ALA 35 -2.498 12.429 8.895 261 2HB ALA 35 2HB ALA 35 -1.904 13.550 7.647 262 3HB ALA 35 3HB ALA 35 -3.007 14.134 8.916 263 H LEU 36 H LEU 36 -3.392 13.283 4.886 264 HA LEU 36 HA LEU 36 -4.246 16.025 4.806 265 1HB LEU 36 1HB LEU 36 -2.757 14.144 3.084 266 2HB LEU 36 2HB LEU 36 -3.703 15.350 2.235 267 HG LEU 36 HG LEU 36 -1.470 15.822 4.219 268 1HD1 LEU 36 1HD1 LEU 36 -1.446 17.114 1.568 269 2HD1 LEU 36 2HD1 LEU 36 -0.144 16.304 2.471 270 3HD1 LEU 36 3HD1 LEU 36 -1.320 15.339 1.547 271 1HD2 LEU 36 1HD2 LEU 36 -2.724 17.601 4.852 272 2HD2 LEU 36 2HD2 LEU 36 -2.007 18.308 3.384 273 3HD2 LEU 36 3HD2 LEU 36 -3.654 17.634 3.335 274 H PHE 37 H PHE 37 -5.421 12.806 3.769 275 HA PHE 37 HA PHE 37 -7.608 13.936 2.307 276 1HB PHE 37 1HB PHE 37 -6.915 11.131 3.369 277 2HB PHE 37 2HB PHE 37 -8.240 11.443 2.265 278 HD1 PHE 37 1HD PHE 37 -7.853 11.764 -0.069 279 HD2 PHE 37 2HD PHE 37 -4.572 11.433 2.602 280 HE1 PHE 37 1HE PHE 37 -6.294 11.491 -2.018 281 HE2 PHE 37 2HE PHE 37 -3.013 11.160 0.654 282 HZ PHE 37 HZ PHE 37 -3.893 11.192 -1.633 283 H GLU 38 H GLU 38 -7.010 12.596 5.575 284 HA GLU 38 HA GLU 38 -9.683 12.284 6.261 285 1HB GLU 38 1HB GLU 38 -8.891 11.822 8.418 286 2HB GLU 38 2HB GLU 38 -7.494 11.446 7.430 287 1HG GLU 38 1HG GLU 38 -6.554 13.715 7.877 288 2HG GLU 38 2HG GLU 38 -7.962 14.117 8.840 289 H SER 39 H SER 39 -7.361 15.026 6.704 290 HA SER 39 HA SER 39 -9.322 16.606 7.997 291 1HB SER 39 1HB SER 39 -6.562 17.194 6.861 292 2HB SER 39 2HB SER 39 -7.550 18.447 7.586 293 HG SER 39 HG SER 39 -7.573 16.368 9.305 294 H PHE 40 H PHE 40 -7.975 16.268 4.681 295 HA PHE 40 HA PHE 40 -10.109 18.062 3.766 296 1HB PHE 40 1HB PHE 40 -7.329 17.644 2.527 297 2HB PHE 40 2HB PHE 40 -8.484 18.887 2.088 298 HD1 PHE 40 1HD PHE 40 -5.580 18.231 3.911 299 HD2 PHE 40 2HD PHE 40 -9.168 20.490 4.102 300 HE1 PHE 40 1HE PHE 40 -4.501 19.808 5.538 301 HE2 PHE 40 2HE PHE 40 -8.088 22.067 5.728 302 HZ PHE 40 HZ PHE 40 -5.767 21.707 6.427 303 HA PRO 41 HA PRO 41 -10.405 14.013 1.722 304 1HB PRO 41 1HB PRO 41 -12.999 13.445 2.370 305 2HB PRO 41 2HB PRO 41 -11.630 12.861 3.295 306 1HG PRO 41 1HG PRO 41 -13.525 15.030 3.959 307 2HG PRO 41 2HG PRO 41 -12.440 14.156 5.022 308 1HD PRO 41 1HD PRO 41 -12.074 16.811 4.001 309 2HD PRO 41 2HD PRO 41 -10.937 15.894 4.969 310 H GLU 42 H GLU 42 -12.266 16.892 1.707 311 HA GLU 42 HA GLU 42 -13.755 16.258 -0.572 312 1HB GLU 42 1HB GLU 42 -13.060 18.797 0.906 313 2HB GLU 42 2HB GLU 42 -13.828 18.918 -0.664 314 1HG GLU 42 1HG GLU 42 -15.688 17.447 0.126 315 2HG GLU 42 2HG GLU 42 -14.916 17.304 1.693 316 H ASP 43 H ASP 43 -10.597 17.916 -0.033 317 HA ASP 43 HA ASP 43 -10.308 18.509 -2.785 318 1HB ASP 43 1HB ASP 43 -8.531 18.644 -0.333 319 2HB ASP 43 2HB ASP 43 -7.817 18.855 -1.919 320 H PHE 44 H PHE 44 -8.733 16.250 -0.395 321 HA PHE 44 HA PHE 44 -7.670 14.725 -2.653 322 1HB PHE 44 1HB PHE 44 -7.116 14.550 0.366 323 2HB PHE 44 2HB PHE 44 -6.143 13.827 -0.899 324 HD1 PHE 44 1HD PHE 44 -6.263 16.450 1.335 325 HD2 PHE 44 2HD PHE 44 -5.342 15.668 -2.733 326 HE1 PHE 44 1HE PHE 44 -4.826 18.507 1.264 327 HE2 PHE 44 2HE PHE 44 -3.905 17.725 -2.803 328 HZ PHE 44 HZ PHE 44 -3.664 19.120 -0.804 329 H TYR 45 H TYR 45 -8.204 12.563 -2.983 330 HA TYR 45 HA TYR 45 -9.369 10.914 -1.065 331 1HB TYR 45 1HB TYR 45 -11.722 10.959 -2.068 332 2HB TYR 45 2HB TYR 45 -11.300 12.470 -1.285 333 HD1 TYR 45 1HD TYR 45 -10.701 14.469 -2.662 334 HD2 TYR 45 2HD TYR 45 -12.127 10.847 -4.437 335 HE1 TYR 45 1HE TYR 45 -11.228 15.721 -4.812 336 HE2 TYR 45 2HE TYR 45 -12.649 12.111 -6.580 337 HH TYR 45 HH TYR 45 -12.563 15.555 -6.707 338 H VAL 46 H VAL 46 -9.863 8.788 -1.920 339 HA VAL 46 HA VAL 46 -8.764 8.452 -4.619 340 HB VAL 46 HB VAL 46 -8.872 6.664 -2.192 341 1HG1 VAL 46 1HG1 VAL 46 -9.327 5.123 -3.892 342 2HG1 VAL 46 2HG1 VAL 46 -8.306 5.975 -5.075 343 3HG1 VAL 46 3HG1 VAL 46 -7.554 5.062 -3.745 344 1HG2 VAL 46 1HG2 VAL 46 -6.991 7.969 -1.927 345 2HG2 VAL 46 2HG2 VAL 46 -6.320 6.619 -2.873 346 3HG2 VAL 46 3HG2 VAL 46 -6.733 8.151 -3.679 347 H GLU 47 H GLU 47 -9.997 7.543 -6.228 348 HA GLU 47 HA GLU 47 -12.655 6.682 -5.383 349 1HB GLU 47 1HB GLU 47 -11.786 8.188 -7.882 350 2HB GLU 47 2HB GLU 47 -13.357 7.424 -7.742 351 1HG GLU 47 1HG GLU 47 -12.680 9.090 -5.390 352 2HG GLU 47 2HG GLU 47 -12.714 10.007 -6.883 353 H GLY 48 H GLY 48 -13.704 5.096 -6.996 354 1HA GLY 48 1HA GLY 48 -13.466 3.438 -8.632 355 2HA GLY 48 2HA GLY 48 -11.724 3.479 -8.441 356 H LEU 49 H LEU 49 -12.186 3.603 -5.350 357 HA LEU 49 HA LEU 49 -11.606 1.050 -4.718 358 1HB LEU 49 1HB LEU 49 -13.030 3.219 -3.209 359 2HB LEU 49 2HB LEU 49 -12.757 1.652 -2.474 360 HG LEU 49 HG LEU 49 -10.461 3.184 -3.677 361 1HD1 LEU 49 1HD1 LEU 49 -10.436 3.659 -0.903 362 2HD1 LEU 49 2HD1 LEU 49 -10.664 4.840 -2.216 363 3HD1 LEU 49 3HD1 LEU 49 -12.077 4.066 -1.459 364 1HD2 LEU 49 1HD2 LEU 49 -10.706 1.089 -1.505 365 2HD2 LEU 49 2HD2 LEU 49 -9.967 0.912 -3.115 366 3HD2 LEU 49 3HD2 LEU 49 -9.203 1.960 -1.896 367 HA PRO 50 HA PRO 50 -15.176 -1.306 -5.292 368 1HB PRO 50 1HB PRO 50 -14.721 -3.403 -3.599 369 2HB PRO 50 2HB PRO 50 -13.984 -3.273 -5.183 370 1HG PRO 50 1HG PRO 50 -12.762 -2.827 -2.529 371 2HG PRO 50 2HG PRO 50 -11.972 -3.120 -4.066 372 1HD PRO 50 1HD PRO 50 -12.227 -0.600 -2.719 373 2HD PRO 50 2HD PRO 50 -11.541 -0.875 -4.308 374 H GLU 51 H GLU 51 -17.199 -2.159 -4.408 375 HA GLU 51 HA GLU 51 -18.242 -0.310 -2.658 376 1HB GLU 51 1HB GLU 51 -19.157 -2.577 -4.151 377 2HB GLU 51 2HB GLU 51 -19.731 -2.789 -2.509 378 1HG GLU 51 1HG GLU 51 -20.757 -0.545 -2.525 379 2HG GLU 51 2HG GLU 51 -20.079 -0.209 -4.106 380 H GLY 52 H GLY 52 -18.828 -0.400 -0.412 381 1HA GLY 52 1HA GLY 52 -18.506 -0.894 1.755 382 2HA GLY 52 2HA GLY 52 -18.441 -2.578 1.277 383 H VAL 53 H VAL 53 -16.111 -0.481 -0.281 384 HA VAL 53 HA VAL 53 -14.075 -1.279 1.674 385 HB VAL 53 HB VAL 53 -13.867 -1.449 -1.339 386 1HG1 VAL 53 1HG1 VAL 53 -11.831 -0.969 0.468 387 2HG1 VAL 53 2HG1 VAL 53 -11.783 -2.738 0.275 388 3HG1 VAL 53 3HG1 VAL 53 -11.642 -1.683 -1.152 389 1HG2 VAL 53 1HG2 VAL 53 -14.268 -3.678 -1.240 390 2HG2 VAL 53 2HG2 VAL 53 -13.490 -3.859 0.351 391 3HG2 VAL 53 3HG2 VAL 53 -15.154 -3.236 0.239 392 HA PRO 54 HA PRO 54 -13.762 3.119 1.066 393 1HB PRO 54 1HB PRO 54 -13.023 3.732 3.625 394 2HB PRO 54 2HB PRO 54 -14.692 3.696 3.092 395 1HG PRO 54 1HG PRO 54 -13.232 1.730 4.749 396 2HG PRO 54 2HG PRO 54 -14.962 1.939 4.562 397 1HD PRO 54 1HD PRO 54 -13.340 -0.100 3.362 398 2HD PRO 54 2HD PRO 54 -15.048 0.180 3.085 399 H PHE 55 H PHE 55 -11.913 4.763 1.811 400 HA PHE 55 HA PHE 55 -9.530 3.401 0.857 401 1HB PHE 55 1HB PHE 55 -10.441 5.584 -0.118 402 2HB PHE 55 2HB PHE 55 -10.219 6.344 1.445 403 HD1 PHE 55 1HD PHE 55 -8.454 7.812 1.438 404 HD2 PHE 55 2HD PHE 55 -8.073 4.184 -0.731 405 HE1 PHE 55 1HE PHE 55 -6.109 8.440 0.800 406 HE2 PHE 55 2HE PHE 55 -5.728 4.813 -1.369 407 HZ PHE 55 HZ PHE 55 -4.774 6.933 -0.596 408 H ARG 56 H ARG 56 -9.945 2.418 3.324 409 HA ARG 56 HA ARG 56 -8.690 4.146 5.232 410 1HB ARG 56 1HB ARG 56 -10.143 1.521 5.282 411 2HB ARG 56 2HB ARG 56 -8.930 1.737 6.528 412 1HG ARG 56 1HG ARG 56 -10.730 4.082 6.102 413 2HG ARG 56 2HG ARG 56 -11.521 2.645 6.720 414 1HD ARG 56 1HD ARG 56 -9.850 2.516 8.578 415 2HD ARG 56 2HD ARG 56 -9.040 3.939 7.955 416 HE ARG 56 HE ARG 56 -11.528 3.885 9.475 417 1HH1 ARG 56 2HH2 ARG 56 -9.687 5.714 7.099 418 2HH1 ARG 56 1HH2 ARG 56 -10.449 7.222 7.480 419 1HH2 ARG 56 2HH1 ARG 56 -12.534 5.874 9.979 420 2HH2 ARG 56 1HH1 ARG 56 -12.080 7.313 9.129 421 H ARG 57 H ARG 57 -7.027 2.708 6.773 422 HA ARG 57 HA ARG 57 -4.780 2.406 5.172 423 1HB ARG 57 1HB ARG 57 -5.360 1.581 8.057 424 2HB ARG 57 2HB ARG 57 -3.768 1.441 7.338 425 1HG ARG 57 1HG ARG 57 -3.377 3.616 7.837 426 2HG ARG 57 2HG ARG 57 -4.650 4.081 6.726 427 1HD ARG 57 1HD ARG 57 -6.000 3.179 9.063 428 2HD ARG 57 2HD ARG 57 -4.653 4.131 9.653 429 HE ARG 57 HE ARG 57 -6.127 5.396 7.447 430 1HH1 ARG 57 2HH2 ARG 57 -5.879 5.016 10.936 431 2HH1 ARG 57 1HH2 ARG 57 -6.723 6.488 11.285 432 1HH2 ARG 57 2HH1 ARG 57 -7.241 7.338 7.906 433 2HH2 ARG 57 1HH1 ARG 57 -7.503 7.817 9.549 434 HA PRO 58 HA PRO 58 -5.071 -1.818 4.120 435 1HB PRO 58 1HB PRO 58 -2.462 -2.409 3.559 436 2HB PRO 58 2HB PRO 58 -3.522 -1.587 2.432 437 1HG PRO 58 1HG PRO 58 -1.337 -0.464 4.076 438 2HG PRO 58 2HG PRO 58 -2.110 0.223 2.662 439 1HD PRO 58 1HD PRO 58 -2.547 0.978 5.394 440 2HD PRO 58 2HD PRO 58 -3.404 1.583 3.990 441 H SER 59 H SER 59 -3.193 -0.805 6.773 442 HA SER 59 HA SER 59 -2.704 -3.494 7.610 443 1HB SER 59 1HB SER 59 -2.016 -0.743 8.597 444 2HB SER 59 2HB SER 59 -2.039 -2.028 9.787 445 HG SER 59 HG SER 59 -0.643 -2.400 7.302 446 H THR 60 H THR 60 -5.404 -3.330 7.233 447 HA THR 60 HA THR 60 -6.410 -3.775 9.871 448 HB THR 60 HB THR 60 -6.700 -1.139 8.619 449 HG1 THR 60 1HG THR 60 -7.467 -0.840 10.852 450 1HG2 THR 60 1HG2 THR 60 -9.167 -0.970 9.320 451 2HG2 THR 60 2HG2 THR 60 -8.884 -1.840 7.794 452 3HG2 THR 60 3HG2 THR 60 -9.214 -2.749 9.288 453 H PHE 61 H PHE 61 -7.104 -3.264 6.373 454 HA PHE 61 HA PHE 61 -9.487 -4.554 6.198 455 1HB PHE 61 1HB PHE 61 -6.985 -4.619 4.410 456 2HB PHE 61 2HB PHE 61 -8.553 -5.169 3.856 457 HD1 PHE 61 1HD PHE 61 -6.583 -2.766 3.045 458 HD2 PHE 61 2HD PHE 61 -10.293 -3.065 5.082 459 HE1 PHE 61 1HE PHE 61 -7.156 -0.425 2.344 460 HE2 PHE 61 2HE PHE 61 -10.867 -0.724 4.381 461 HZ PHE 61 HZ PHE 61 -9.291 0.568 3.021 462 H GLY 62 H GLY 62 -9.942 -6.778 5.205 463 1HA GLY 62 1HA GLY 62 -8.594 -8.771 6.836 464 2HA GLY 62 2HA GLY 62 -10.049 -8.971 5.879 465 H ILE 63 H ILE 63 -8.634 -11.057 5.435 466 HA ILE 63 HA ILE 63 -6.424 -10.787 3.710 467 HB ILE 63 HB ILE 63 -8.230 -13.023 4.552 468 1HG1 ILE 63 1HG1 ILE 63 -5.239 -12.949 4.793 469 2HG1 ILE 63 2HG1 ILE 63 -6.206 -11.959 5.868 470 1HG2 ILE 63 1HG2 ILE 63 -6.237 -13.055 2.294 471 2HG2 ILE 63 2HG2 ILE 63 -6.582 -14.516 3.251 472 3HG2 ILE 63 3HG2 ILE 63 -7.890 -13.711 2.351 473 1HD1 ILE 63 1HD1 ILE 63 -7.378 -14.617 5.687 474 2HD1 ILE 63 2HD1 ILE 63 -5.655 -14.734 6.119 475 3HD1 ILE 63 3HD1 ILE 63 -6.760 -13.762 7.120 476 HA PRO 64 HA PRO 64 -9.735 -11.420 0.384 477 1HB PRO 64 1HB PRO 64 -12.363 -11.015 1.014 478 2HB PRO 64 2HB PRO 64 -11.619 -12.601 0.978 479 1HG PRO 64 1HG PRO 64 -12.372 -10.960 3.318 480 2HG PRO 64 2HG PRO 64 -12.034 -12.678 3.246 481 1HD PRO 64 1HD PRO 64 -10.293 -10.627 4.240 482 2HD PRO 64 2HD PRO 64 -9.912 -12.328 4.060 483 H ARG 65 H ARG 65 -11.051 -9.022 2.626 484 HA ARG 65 HA ARG 65 -11.766 -7.192 0.795 485 1HB ARG 65 1HB ARG 65 -11.301 -7.264 3.621 486 2HB ARG 65 2HB ARG 65 -10.471 -5.837 3.033 487 1HG ARG 65 1HG ARG 65 -12.648 -5.267 1.753 488 2HG ARG 65 2HG ARG 65 -13.417 -6.535 2.686 489 1HD ARG 65 1HD ARG 65 -11.889 -4.830 4.482 490 2HD ARG 65 2HD ARG 65 -12.927 -3.829 3.486 491 HE ARG 65 HE ARG 65 -14.560 -5.952 4.310 492 1HH1 ARG 65 2HH2 ARG 65 -12.664 -3.454 5.906 493 2HH1 ARG 65 1HH2 ARG 65 -13.694 -3.382 7.297 494 1HH2 ARG 65 2HH1 ARG 65 -15.919 -5.858 6.144 495 2HH2 ARG 65 1HH1 ARG 65 -15.558 -4.758 7.433 496 H LEU 66 H LEU 66 -8.499 -8.050 1.928 497 HA LEU 66 HA LEU 66 -7.168 -5.758 1.016 498 1HB LEU 66 1HB LEU 66 -6.392 -8.551 1.749 499 2HB LEU 66 2HB LEU 66 -5.222 -7.525 0.944 500 HG LEU 66 HG LEU 66 -6.648 -6.535 3.401 501 1HD1 LEU 66 1HD1 LEU 66 -5.565 -7.853 4.838 502 2HD1 LEU 66 2HD1 LEU 66 -5.263 -8.921 3.446 503 3HD1 LEU 66 3HD1 LEU 66 -4.034 -7.731 3.938 504 1HD2 LEU 66 1HD2 LEU 66 -4.628 -5.205 3.691 505 2HD2 LEU 66 2HD2 LEU 66 -3.892 -5.980 2.267 506 3HD2 LEU 66 3HD2 LEU 66 -5.329 -4.946 2.075 507 H GLU 67 H GLU 67 -7.835 -8.969 -0.521 508 HA GLU 67 HA GLU 67 -6.526 -8.271 -2.896 509 1HB GLU 67 1HB GLU 67 -8.391 -10.469 -2.016 510 2HB GLU 67 2HB GLU 67 -8.109 -10.264 -3.734 511 1HG GLU 67 1HG GLU 67 -5.614 -10.146 -2.147 512 2HG GLU 67 2HG GLU 67 -6.461 -11.668 -1.960 513 H LYS 68 H LYS 68 -9.903 -8.007 -1.715 514 HA LYS 68 HA LYS 68 -11.252 -7.537 -4.022 515 1HB LYS 68 1HB LYS 68 -11.593 -6.160 -1.341 516 2HB LYS 68 2HB LYS 68 -12.778 -6.151 -2.631 517 1HG LYS 68 1HG LYS 68 -12.282 -8.849 -2.450 518 2HG LYS 68 2HG LYS 68 -11.994 -8.370 -0.789 519 1HD LYS 68 1HD LYS 68 -14.224 -7.321 -0.653 520 2HD LYS 68 2HD LYS 68 -14.511 -7.631 -2.354 521 1HE LYS 68 1HE LYS 68 -14.422 -10.078 -1.959 522 2HE LYS 68 2HE LYS 68 -14.026 -9.816 -0.272 523 1HZ LYS 68 1HZ LYS 68 -16.386 -8.463 -1.173 524 2HZ LYS 68 2HZ LYS 68 -16.491 -10.092 -1.190 525 3HZ LYS 68 3HZ LYS 68 -16.130 -9.311 0.198 526 H ILE 69 H ILE 69 -9.085 -5.306 -2.220 527 HA ILE 69 HA ILE 69 -9.684 -3.076 -3.858 528 HB ILE 69 HB ILE 69 -7.499 -3.733 -1.898 529 1HG1 ILE 69 1HG1 ILE 69 -9.243 -1.426 -1.426 530 2HG1 ILE 69 2HG1 ILE 69 -10.132 -2.930 -1.559 531 1HG2 ILE 69 1HG2 ILE 69 -7.390 -1.772 -3.988 532 2HG2 ILE 69 2HG2 ILE 69 -7.508 -0.952 -2.413 533 3HG2 ILE 69 3HG2 ILE 69 -6.205 -2.127 -2.708 534 1HD1 ILE 69 1HD1 ILE 69 -8.405 -3.941 0.075 535 2HD1 ILE 69 2HD1 ILE 69 -7.869 -2.268 0.363 536 3HD1 ILE 69 3HD1 ILE 69 -9.538 -2.747 0.752 537 H LEU 70 H LEU 70 -6.767 -5.241 -3.664 538 HA LEU 70 HA LEU 70 -5.378 -4.273 -5.764 539 1HB LEU 70 1HB LEU 70 -5.727 -7.035 -4.657 540 2HB LEU 70 2HB LEU 70 -4.732 -6.783 -6.077 541 HG LEU 70 HG LEU 70 -4.055 -4.898 -3.961 542 1HD1 LEU 70 1HD1 LEU 70 -4.127 -7.832 -3.289 543 2HD1 LEU 70 2HD1 LEU 70 -2.923 -6.742 -2.561 544 3HD1 LEU 70 3HD1 LEU 70 -4.660 -6.437 -2.320 545 1HD2 LEU 70 1HD2 LEU 70 -2.752 -5.589 -6.053 546 2HD2 LEU 70 2HD2 LEU 70 -1.847 -5.447 -4.527 547 3HD2 LEU 70 3HD2 LEU 70 -2.306 -7.052 -5.143 548 H ARG 71 H ARG 71 -8.156 -6.579 -5.886 549 HA ARG 71 HA ARG 71 -8.098 -7.228 -8.479 550 1HB ARG 71 1HB ARG 71 -10.379 -6.677 -6.560 551 2HB ARG 71 2HB ARG 71 -10.757 -7.064 -8.227 552 1HG ARG 71 1HG ARG 71 -9.595 -9.204 -8.079 553 2HG ARG 71 2HG ARG 71 -8.919 -8.796 -6.515 554 1HD ARG 71 1HD ARG 71 -11.590 -8.479 -5.966 555 2HD ARG 71 2HD ARG 71 -11.684 -9.713 -7.206 556 HE ARG 71 HE ARG 71 -9.627 -10.393 -5.300 557 1HH1 ARG 71 2HH2 ARG 71 -13.125 -10.299 -5.670 558 2HH1 ARG 71 1HH2 ARG 71 -13.409 -11.561 -4.517 559 1HH2 ARG 71 2HH1 ARG 71 -10.001 -12.058 -3.779 560 2HH2 ARG 71 1HH1 ARG 71 -11.620 -12.568 -3.435 561 H ASN 72 H ASN 72 -9.183 -4.144 -6.998 562 HA ASN 72 HA ASN 72 -9.603 -3.136 -9.702 563 1HB ASN 72 1HB ASN 72 -10.891 -2.397 -7.036 564 2HB ASN 72 2HB ASN 72 -10.950 -1.296 -8.398 565 1HD2 ASN 72 1HD2 ASN 72 -13.245 -2.231 -7.333 566 2HD2 ASN 72 2HD2 ASN 72 -14.043 -3.337 -8.400 567 H LYS 73 H LYS 73 -6.988 -3.189 -8.988 568 HA LYS 73 HA LYS 73 -6.276 -0.870 -7.438 569 1HB LYS 73 1HB LYS 73 -4.033 -1.639 -7.658 570 2HB LYS 73 2HB LYS 73 -5.035 -3.042 -7.346 571 1HG LYS 73 1HG LYS 73 -5.030 -3.653 -9.724 572 2HG LYS 73 2HG LYS 73 -4.213 -2.163 -10.152 573 1HD LYS 73 1HD LYS 73 -2.470 -3.781 -10.109 574 2HD LYS 73 2HD LYS 73 -2.297 -2.931 -8.586 575 1HE LYS 73 1HE LYS 73 -2.164 -5.216 -7.958 576 2HE LYS 73 2HE LYS 73 -3.818 -4.785 -7.568 577 1HZ LYS 73 1HZ LYS 73 -3.849 -5.572 -10.186 578 2HZ LYS 73 2HZ LYS 73 -2.892 -6.661 -9.434 579 3HZ LYS 73 3HZ LYS 73 -4.416 -6.410 -8.904 580 H ALA 74 H ALA 74 -6.648 -1.830 -10.842 581 HA ALA 74 HA ALA 74 -5.281 0.502 -11.810 582 1HB ALA 74 1HB ALA 74 -6.850 -0.632 -13.858 583 2HB ALA 74 2HB ALA 74 -5.122 -0.921 -13.544 584 3HB ALA 74 3HB ALA 74 -6.348 -2.003 -12.840 585 H LYS 75 H LYS 75 -8.635 -0.569 -11.141 586 HA LYS 75 HA LYS 75 -9.880 1.583 -12.459 587 1HB LYS 75 1HB LYS 75 -10.910 -0.124 -10.173 588 2HB LYS 75 2HB LYS 75 -11.877 0.869 -11.245 589 1HG LYS 75 1HG LYS 75 -10.054 -1.328 -12.308 590 2HG LYS 75 2HG LYS 75 -11.699 -1.660 -11.804 591 1HD LYS 75 1HD LYS 75 -11.456 0.687 -13.610 592 2HD LYS 75 2HD LYS 75 -10.942 -0.820 -14.343 593 1HE LYS 75 1HE LYS 75 -13.580 -0.625 -12.835 594 2HE LYS 75 2HE LYS 75 -13.465 -0.168 -14.523 595 1HZ LYS 75 1HZ LYS 75 -13.150 -2.289 -15.142 596 2HZ LYS 75 2HZ LYS 75 -12.316 -2.715 -13.804 597 3HZ LYS 75 3HZ LYS 75 -13.946 -2.616 -13.754 598 H ILE 76 H ILE 76 -8.585 1.086 -9.149 599 HA ILE 76 HA ILE 76 -9.696 3.279 -7.920 600 HB ILE 76 HB ILE 76 -7.192 1.694 -7.566 601 1HG1 ILE 76 1HG1 ILE 76 -9.425 2.240 -5.605 602 2HG1 ILE 76 2HG1 ILE 76 -9.550 0.994 -6.831 603 1HG2 ILE 76 1HG2 ILE 76 -6.847 3.069 -5.422 604 2HG2 ILE 76 2HG2 ILE 76 -6.283 3.758 -6.963 605 3HG2 ILE 76 3HG2 ILE 76 -7.806 4.328 -6.237 606 1HD1 ILE 76 1HD1 ILE 76 -8.605 0.356 -4.467 607 2HD1 ILE 76 2HD1 ILE 76 -7.789 -0.285 -5.913 608 3HD1 ILE 76 3HD1 ILE 76 -7.101 1.110 -5.048 609 H LYS 77 H LYS 77 -8.891 5.441 -7.492 610 HA LYS 77 HA LYS 77 -6.774 6.397 -9.205 611 1HB LYS 77 1HB LYS 77 -9.256 6.419 -10.316 612 2HB LYS 77 2HB LYS 77 -9.266 7.973 -9.506 613 1HG LYS 77 1HG LYS 77 -7.474 8.811 -10.773 614 2HG LYS 77 2HG LYS 77 -6.807 7.221 -11.086 615 1HD LYS 77 1HD LYS 77 -8.397 6.741 -12.788 616 2HD LYS 77 2HD LYS 77 -9.524 7.956 -12.216 617 1HE LYS 77 1HE LYS 77 -8.178 9.765 -13.062 618 2HE LYS 77 2HE LYS 77 -6.778 8.733 -13.278 619 1HZ LYS 77 1HZ LYS 77 -7.525 8.587 -15.347 620 2HZ LYS 77 2HZ LYS 77 -8.620 7.518 -14.778 621 3HZ LYS 77 3HZ LYS 77 -9.037 9.084 -14.983 622 H PHE 78 H PHE 78 -5.875 8.373 -8.453 623 HA PHE 78 HA PHE 78 -6.879 9.108 -5.796 624 1HB PHE 78 1HB PHE 78 -4.189 8.864 -7.180 625 2HB PHE 78 2HB PHE 78 -4.332 10.117 -5.963 626 HD1 PHE 78 1HD PHE 78 -3.843 9.580 -3.771 627 HD2 PHE 78 2HD PHE 78 -5.048 6.479 -6.405 628 HE1 PHE 78 1HE PHE 78 -3.408 7.883 -1.973 629 HE2 PHE 78 2HE PHE 78 -4.614 4.782 -4.607 630 HZ PHE 78 HZ PHE 78 -3.799 5.505 -2.413 631 H ILE 79 H ILE 79 -7.903 11.044 -5.680 632 HA ILE 79 HA ILE 79 -7.401 12.959 -7.820 633 HB ILE 79 HB ILE 79 -9.524 13.037 -5.680 634 1HG1 ILE 79 1HG1 ILE 79 -10.078 11.037 -6.682 635 2HG1 ILE 79 2HG1 ILE 79 -10.977 12.178 -7.662 636 1HG2 ILE 79 1HG2 ILE 79 -10.407 14.227 -8.059 637 2HG2 ILE 79 2HG2 ILE 79 -9.946 15.038 -6.543 638 3HG2 ILE 79 3HG2 ILE 79 -8.739 14.803 -7.830 639 1HD1 ILE 79 1HD1 ILE 79 -8.494 10.620 -8.352 640 2HD1 ILE 79 2HD1 ILE 79 -9.944 10.932 -9.335 641 3HD1 ILE 79 3HD1 ILE 79 -8.727 12.212 -9.113 642 H ILE 80 H ILE 80 -6.353 14.883 -7.514 643 HA ILE 80 HA ILE 80 -5.811 15.666 -4.750 644 HB ILE 80 HB ILE 80 -3.674 15.627 -6.874 645 1HG1 ILE 80 1HG1 ILE 80 -4.561 13.478 -4.997 646 2HG1 ILE 80 2HG1 ILE 80 -3.939 13.357 -6.631 647 1HG2 ILE 80 1HG2 ILE 80 -3.488 17.261 -4.987 648 2HG2 ILE 80 2HG2 ILE 80 -3.443 15.880 -3.866 649 3HG2 ILE 80 3HG2 ILE 80 -2.159 16.082 -5.081 650 1HD1 ILE 80 1HD1 ILE 80 -1.663 13.990 -5.813 651 2HD1 ILE 80 2HD1 ILE 80 -2.302 14.076 -4.155 652 3HD1 ILE 80 3HD1 ILE 80 -2.272 12.520 -5.017 653 H LYS 81 H LYS 81 -6.761 17.618 -4.539 654 HA LYS 81 HA LYS 81 -6.853 19.327 -6.907 655 1HB LYS 81 1HB LYS 81 -8.368 19.566 -4.291 656 2HB LYS 81 2HB LYS 81 -8.614 20.532 -5.731 657 1HG LYS 81 1HG LYS 81 -9.128 18.375 -6.998 658 2HG LYS 81 2HG LYS 81 -9.057 17.523 -5.468 659 1HD LYS 81 1HD LYS 81 -10.855 19.083 -4.579 660 2HD LYS 81 2HD LYS 81 -10.978 19.789 -6.178 661 1HE LYS 81 1HE LYS 81 -11.116 16.907 -6.444 662 2HE LYS 81 2HE LYS 81 -12.243 17.400 -5.196 663 1HZ LYS 81 1HZ LYS 81 -12.212 18.116 -8.003 664 2HZ LYS 81 2HZ LYS 81 -13.474 17.714 -7.049 665 3HZ LYS 81 3HZ LYS 81 -12.818 19.206 -6.949 666 H LYS 82 H LYS 82 -5.209 18.838 -3.881 667 HA LYS 82 HA LYS 82 -3.983 21.483 -4.213 668 1HB LYS 82 1HB LYS 82 -5.095 20.207 -1.732 669 2HB LYS 82 2HB LYS 82 -3.705 21.265 -1.604 670 1HG LYS 82 1HG LYS 82 -5.637 22.514 -3.363 671 2HG LYS 82 2HG LYS 82 -6.469 21.998 -1.910 672 1HD LYS 82 1HD LYS 82 -5.306 23.463 -0.546 673 2HD LYS 82 2HD LYS 82 -3.821 23.315 -1.465 674 1HE LYS 82 1HE LYS 82 -5.903 24.569 -3.097 675 2HE LYS 82 2HE LYS 82 -5.709 25.437 -1.588 676 1HZ LYS 82 1HZ LYS 82 -3.535 24.749 -3.442 677 2HZ LYS 82 2HZ LYS 82 -4.189 26.232 -3.243 678 3HZ LYS 82 3HZ LYS 82 -3.344 25.543 -2.028 679 HA PRO 83 HA PRO 83 -0.857 18.252 -4.448 680 1HB PRO 83 1HB PRO 83 0.398 19.151 -6.702 681 2HB PRO 83 2HB PRO 83 -0.868 17.941 -6.729 682 1HG PRO 83 1HG PRO 83 -1.013 20.792 -7.498 683 2HG PRO 83 2HG PRO 83 -2.110 19.487 -7.906 684 1HD PRO 83 1HD PRO 83 -2.533 21.534 -5.942 685 2HD PRO 83 2HD PRO 83 -3.576 20.165 -6.269 686 H GLU 84 H GLU 84 -0.837 21.655 -4.328 687 HA GLU 84 HA GLU 84 1.940 21.896 -3.963 688 1HB GLU 84 1HB GLU 84 1.386 24.209 -3.222 689 2HB GLU 84 2HB GLU 84 0.588 23.790 -4.725 690 1HG GLU 84 1HG GLU 84 -1.392 24.334 -3.767 691 2HG GLU 84 2HG GLU 84 -1.213 22.952 -2.704 692 H MET 85 H MET 85 -0.758 20.979 -1.911 693 HA MET 85 HA MET 85 0.702 21.571 0.491 694 1HB MET 85 1HB MET 85 -2.029 20.381 -0.181 695 2HB MET 85 2HB MET 85 -1.424 20.324 1.462 696 1HG MET 85 1HG MET 85 -1.234 22.780 1.537 697 2HG MET 85 2HG MET 85 -1.654 22.905 -0.159 698 1HE MET 85 1HE MET 85 -3.746 22.420 3.547 699 2HE MET 85 2HE MET 85 -4.173 20.821 2.894 700 3HE MET 85 3HE MET 85 -2.464 21.305 3.017 701 H PHE 86 H PHE 86 0.641 19.079 -1.827 702 HA PHE 86 HA PHE 86 1.108 16.959 0.095 703 1HB PHE 86 1HB PHE 86 0.338 17.347 -2.734 704 2HB PHE 86 2HB PHE 86 1.632 16.171 -2.615 705 HD1 PHE 86 1HD PHE 86 1.195 13.968 -1.908 706 HD2 PHE 86 2HD PHE 86 -1.779 16.951 -1.392 707 HE1 PHE 86 1HE PHE 86 -0.472 12.198 -1.287 708 HE2 PHE 86 2HE PHE 86 -3.446 15.180 -0.771 709 HZ PHE 86 HZ PHE 86 -2.773 12.825 -0.726 710 H GLU 87 H GLU 87 2.864 19.227 -1.951 711 HA GLU 87 HA GLU 87 5.110 17.993 -2.609 712 1HB GLU 87 1HB GLU 87 4.301 20.639 -2.338 713 2HB GLU 87 2HB GLU 87 5.669 20.562 -1.246 714 1HG GLU 87 1HG GLU 87 6.385 19.132 -3.649 715 2HG GLU 87 2HG GLU 87 5.686 20.665 -4.131 716 H THR 88 H THR 88 4.336 19.256 0.696 717 HA THR 88 HA THR 88 6.720 18.736 1.946 718 HB THR 88 HB THR 88 3.805 18.616 2.851 719 HG1 THR 88 1HG THR 88 4.295 20.772 3.006 720 1HG2 THR 88 1HG2 THR 88 4.447 17.992 4.953 721 2HG2 THR 88 2HG2 THR 88 6.056 17.602 4.301 722 3HG2 THR 88 3HG2 THR 88 5.730 19.225 4.953 723 H ALA 89 H ALA 89 4.054 16.436 1.198 724 HA ALA 89 HA ALA 89 5.285 14.290 2.576 725 1HB ALA 89 1HB ALA 89 3.376 13.181 2.009 726 2HB ALA 89 2HB ALA 89 2.802 14.807 1.567 727 3HB ALA 89 3HB ALA 89 3.444 13.718 0.313 728 H ILE 90 H ILE 90 4.843 14.929 -0.983 729 HA ILE 90 HA ILE 90 6.341 12.948 -1.991 730 HB ILE 90 HB ILE 90 6.146 15.826 -2.869 731 1HG1 ILE 90 1HG1 ILE 90 4.792 13.819 -4.478 732 2HG1 ILE 90 2HG1 ILE 90 4.264 13.745 -2.808 733 1HG2 ILE 90 1HG2 ILE 90 8.041 15.186 -4.024 734 2HG2 ILE 90 2HG2 ILE 90 7.526 13.486 -4.148 735 3HG2 ILE 90 3HG2 ILE 90 6.746 14.728 -5.157 736 1HD1 ILE 90 1HD1 ILE 90 3.848 16.218 -2.839 737 2HD1 ILE 90 2HD1 ILE 90 4.325 16.250 -4.554 738 3HD1 ILE 90 3HD1 ILE 90 2.875 15.349 -4.050 739 H LYS 91 H LYS 91 7.554 15.999 -0.511 740 HA LYS 91 HA LYS 91 10.237 15.611 -1.150 741 1HB LYS 91 1HB LYS 91 8.672 17.498 0.229 742 2HB LYS 91 2HB LYS 91 9.853 16.945 1.398 743 1HG LYS 91 1HG LYS 91 11.646 17.297 -0.419 744 2HG LYS 91 2HG LYS 91 10.409 18.093 -1.372 745 1HD LYS 91 1HD LYS 91 10.006 19.646 0.633 746 2HD LYS 91 2HD LYS 91 11.428 18.941 1.376 747 1HE LYS 91 1HE LYS 91 12.050 19.695 -1.368 748 2HE LYS 91 2HE LYS 91 11.333 21.062 -0.539 749 1HZ LYS 91 1HZ LYS 91 13.499 19.481 0.645 750 2HZ LYS 91 2HZ LYS 91 13.777 20.791 -0.290 751 3HZ LYS 91 3HZ LYS 91 12.963 20.949 1.116 752 H GLU 92 H GLU 92 8.920 15.287 2.209 753 HA GLU 92 HA GLU 92 10.931 13.858 3.221 754 1HB GLU 92 1HB GLU 92 7.951 13.730 3.793 755 2HB GLU 92 2HB GLU 92 9.095 12.805 4.744 756 1HG GLU 92 1HG GLU 92 10.210 15.413 4.588 757 2HG GLU 92 2HG GLU 92 8.497 15.668 4.852 758 H SER 93 H SER 93 7.853 12.270 2.087 759 HA SER 93 HA SER 93 7.479 10.171 1.558 760 1HB SER 93 1HB SER 93 8.902 9.411 -0.465 761 2HB SER 93 2HB SER 93 7.993 10.900 -0.633 762 HG SER 93 HG SER 93 9.818 12.074 -0.680 763 H SER 94 H SER 94 7.977 9.021 3.507 764 HA SER 94 HA SER 94 8.958 7.506 4.712 765 1HB SER 94 1HB SER 94 10.847 7.026 2.365 766 2HB SER 94 2HB SER 94 10.562 5.927 3.700 767 HG SER 94 HG SER 94 8.214 6.002 2.974 768 H GLY 95 H GLY 95 10.241 7.953 6.470 769 1HA GLY 95 1HA GLY 95 12.973 8.653 6.263 770 2HA GLY 95 2HA GLY 95 12.016 10.095 6.540 771 HA PRO 96 HA PRO 96 12.417 8.780 10.720 772 1HB PRO 96 1HB PRO 96 11.689 11.146 11.878 773 2HB PRO 96 2HB PRO 96 13.332 10.785 11.386 774 1HG PRO 96 1HG PRO 96 11.353 12.554 10.084 775 2HG PRO 96 2HG PRO 96 13.091 12.506 9.869 776 1HD PRO 96 1HD PRO 96 11.110 11.453 8.081 777 2HD PRO 96 2HD PRO 96 12.849 11.303 7.924 778 H SER 97 H SER 97 10.902 7.170 10.885 779 HA SER 97 HA SER 97 8.345 8.249 11.755 780 1HB SER 97 1HB SER 97 8.304 7.361 9.343 781 2HB SER 97 2HB SER 97 8.606 5.768 10.007 782 HG SER 97 HG SER 97 6.412 5.817 9.950 783 H SER 98 H SER 98 8.448 7.752 13.937 784 HA SER 98 HA SER 98 8.503 6.575 15.758 785 1HB SER 98 1HB SER 98 7.304 4.852 13.916 786 2HB SER 98 2HB SER 98 8.562 3.851 14.613 787 HG SER 98 HG SER 98 6.201 4.329 15.677 788 H GLY 99 H GLY 99 10.299 6.318 17.043 789 1HA GLY 99 1HA GLY 99 12.297 5.506 17.752 790 2HA GLY 99 2HA GLY 99 12.393 4.481 16.334 Start of MODEL 8 1 1H GLY 1 H GLY 1 -7.270 -20.541 9.352 2 1HA GLY 1 1HA GLY 1 -7.663 -19.195 11.768 3 2HA GLY 1 2HA GLY 1 -5.943 -19.182 11.433 4 H SER 2 H SER 2 -7.885 -16.913 11.431 5 HA SER 2 HA SER 2 -7.416 -16.099 8.673 6 1HB SER 2 1HB SER 2 -9.919 -16.594 9.592 7 2HB SER 2 2HB SER 2 -9.763 -14.937 10.140 8 HG SER 2 HG SER 2 -10.268 -14.387 8.140 9 H SER 3 H SER 3 -5.438 -15.063 9.410 10 HA SER 3 HA SER 3 -5.795 -12.427 10.154 11 1HB SER 3 1HB SER 3 -4.598 -12.520 12.406 12 2HB SER 3 2HB SER 3 -6.253 -13.097 12.406 13 HG SER 3 HG SER 3 -5.599 -15.098 12.875 14 H GLY 4 H GLY 4 -3.641 -11.282 10.331 15 1HA GLY 4 1HA GLY 4 -1.359 -11.166 10.063 16 2HA GLY 4 2HA GLY 4 -1.289 -12.884 9.722 17 H SER 5 H SER 5 -2.901 -13.382 7.615 18 HA SER 5 HA SER 5 -3.116 -13.236 5.460 19 1HB SER 5 1HB SER 5 -4.170 -11.054 5.814 20 2HB SER 5 2HB SER 5 -2.609 -10.262 5.900 21 HG SER 5 HG SER 5 -2.387 -10.335 3.737 22 H SER 6 H SER 6 -0.655 -10.590 5.852 23 HA SER 6 HA SER 6 1.454 -10.470 5.322 24 1HB SER 6 1HB SER 6 1.596 -12.821 6.351 25 2HB SER 6 2HB SER 6 1.501 -13.455 4.720 26 HG SER 6 HG SER 6 3.397 -11.824 4.352 27 H GLY 7 H GLY 7 2.432 -9.772 3.400 28 1HA GLY 7 1HA GLY 7 2.938 -9.855 1.146 29 2HA GLY 7 2HA GLY 7 1.691 -11.058 0.887 30 H LEU 8 H LEU 8 -0.660 -10.288 1.205 31 HA LEU 8 HA LEU 8 -1.229 -8.260 -0.527 32 1HB LEU 8 1HB LEU 8 -2.830 -9.378 1.773 33 2HB LEU 8 2HB LEU 8 -3.486 -8.260 0.594 34 HG LEU 8 HG LEU 8 -2.343 -10.993 -0.050 35 1HD1 LEU 8 1HD1 LEU 8 -5.054 -10.083 0.722 36 2HD1 LEU 8 2HD1 LEU 8 -4.962 -11.183 -0.675 37 3HD1 LEU 8 3HD1 LEU 8 -4.276 -11.675 0.892 38 1HD2 LEU 8 1HD2 LEU 8 -2.161 -10.165 -2.114 39 2HD2 LEU 8 2HD2 LEU 8 -3.940 -10.214 -2.160 40 3HD2 LEU 8 3HD2 LEU 8 -3.103 -8.709 -1.712 41 H LYS 9 H LYS 9 -0.974 -8.100 3.082 42 HA LYS 9 HA LYS 9 -1.721 -5.529 3.486 43 1HB LYS 9 1HB LYS 9 -0.517 -7.541 4.965 44 2HB LYS 9 2HB LYS 9 0.675 -6.257 5.011 45 1HG LYS 9 1HG LYS 9 -1.470 -4.725 5.505 46 2HG LYS 9 2HG LYS 9 -2.169 -6.244 6.030 47 1HD LYS 9 1HD LYS 9 0.435 -6.190 7.172 48 2HD LYS 9 2HD LYS 9 -0.189 -4.566 7.377 49 1HE LYS 9 1HE LYS 9 -2.334 -5.606 8.320 50 2HE LYS 9 2HE LYS 9 -1.520 -7.158 8.288 51 1HZ LYS 9 1HZ LYS 9 -0.790 -6.563 10.276 52 2HZ LYS 9 2HZ LYS 9 0.254 -5.561 9.518 53 3HZ LYS 9 3HZ LYS 9 -1.166 -4.985 10.084 54 H GLN 10 H GLN 10 1.524 -6.713 2.408 55 HA GLN 10 HA GLN 10 2.545 -4.087 2.266 56 1HB GLN 10 1HB GLN 10 4.249 -5.635 2.558 57 2HB GLN 10 2HB GLN 10 3.485 -6.842 1.544 58 1HG GLN 10 1HG GLN 10 4.363 -5.961 -0.423 59 2HG GLN 10 2HG GLN 10 4.353 -4.314 0.177 60 1HE2 GLN 10 1HE2 GLN 10 6.514 -4.886 -1.091 61 2HE2 GLN 10 2HE2 GLN 10 7.879 -5.209 -0.074 62 H LYS 11 H LYS 11 1.630 -6.549 -0.255 63 HA LYS 11 HA LYS 11 2.068 -5.106 -2.492 64 1HB LYS 11 1HB LYS 11 -0.231 -6.988 -1.886 65 2HB LYS 11 2HB LYS 11 0.188 -6.429 -3.493 66 1HG LYS 11 1HG LYS 11 2.068 -7.754 -3.619 67 2HG LYS 11 2HG LYS 11 2.486 -7.509 -1.935 68 1HD LYS 11 1HD LYS 11 1.587 -9.517 -1.396 69 2HD LYS 11 2HD LYS 11 0.023 -8.995 -1.990 70 1HE LYS 11 1HE LYS 11 2.169 -9.941 -3.924 71 2HE LYS 11 2HE LYS 11 1.150 -11.097 -3.089 72 1HZ LYS 11 1HZ LYS 11 -0.145 -10.693 -4.853 73 2HZ LYS 11 2HZ LYS 11 -0.672 -9.428 -3.965 74 3HZ LYS 11 3HZ LYS 11 0.445 -9.197 -5.134 75 H VAL 12 H VAL 12 -0.893 -4.972 -0.406 76 HA VAL 12 HA VAL 12 -2.165 -3.016 -1.970 77 HB VAL 12 HB VAL 12 -2.455 -3.847 0.922 78 1HG1 VAL 12 1HG1 VAL 12 -4.507 -2.302 -0.676 79 2HG1 VAL 12 2HG1 VAL 12 -4.467 -2.621 1.075 80 3HG1 VAL 12 3HG1 VAL 12 -3.295 -1.495 0.347 81 1HG2 VAL 12 1HG2 VAL 12 -3.165 -5.707 -0.189 82 2HG2 VAL 12 2HG2 VAL 12 -4.671 -4.763 -0.285 83 3HG2 VAL 12 3HG2 VAL 12 -3.560 -4.809 -1.675 84 H GLU 13 H GLU 13 0.077 -2.882 0.846 85 HA GLU 13 HA GLU 13 -0.185 -0.196 1.353 86 1HB GLU 13 1HB GLU 13 2.030 -2.212 1.779 87 2HB GLU 13 2HB GLU 13 2.314 -0.527 2.168 88 1HG GLU 13 1HG GLU 13 0.745 -0.509 3.906 89 2HG GLU 13 2HG GLU 13 -0.235 -1.770 3.185 90 H ASN 14 H ASN 14 2.268 -1.907 -0.720 91 HA ASN 14 HA ASN 14 3.542 0.374 -1.563 92 1HB ASN 14 1HB ASN 14 3.549 -2.447 -2.189 93 2HB ASN 14 2HB ASN 14 3.488 -1.580 -3.711 94 1HD2 ASN 14 1HD2 ASN 14 5.481 -2.876 -1.476 95 2HD2 ASN 14 2HD2 ASN 14 6.927 -1.954 -1.720 96 H LEU 15 H LEU 15 0.668 -1.421 -2.805 97 HA LEU 15 HA LEU 15 0.317 -0.305 -5.249 98 1HB LEU 15 1HB LEU 15 -1.219 -1.897 -4.845 99 2HB LEU 15 2HB LEU 15 -1.423 -1.450 -3.163 100 HG LEU 15 HG LEU 15 -2.831 0.465 -3.840 101 1HD1 LEU 15 1HD1 LEU 15 -1.730 -0.068 -6.416 102 2HD1 LEU 15 2HD1 LEU 15 -3.496 -0.269 -6.509 103 3HD1 LEU 15 3HD1 LEU 15 -2.805 1.257 -5.909 104 1HD2 LEU 15 1HD2 LEU 15 -3.625 -2.312 -4.715 105 2HD2 LEU 15 2HD2 LEU 15 -4.033 -1.451 -3.212 106 3HD2 LEU 15 3HD2 LEU 15 -4.758 -0.940 -4.755 107 H PHE 16 H PHE 16 -1.314 0.981 -2.263 108 HA PHE 16 HA PHE 16 -2.226 3.298 -3.310 109 1HB PHE 16 1HB PHE 16 -0.905 2.727 -0.588 110 2HB PHE 16 2HB PHE 16 -1.930 4.117 -0.887 111 HD1 PHE 16 1HD PHE 16 -2.202 1.684 1.094 112 HD2 PHE 16 2HD PHE 16 -3.992 2.672 -2.624 113 HE1 PHE 16 1HE PHE 16 -4.222 0.325 1.706 114 HE2 PHE 16 2HE PHE 16 -6.012 1.314 -2.012 115 HZ PHE 16 HZ PHE 16 -6.103 0.157 0.145 116 H ASN 17 H ASN 17 0.972 2.898 -1.615 117 HA ASN 17 HA ASN 17 1.902 5.378 -1.827 118 1HB ASN 17 1HB ASN 17 3.429 2.778 -2.366 119 2HB ASN 17 2HB ASN 17 4.217 4.314 -2.064 120 1HD2 ASN 17 1HD2 ASN 17 5.209 3.629 -0.210 121 2HD2 ASN 17 2HD2 ASN 17 4.381 3.346 1.285 122 H GLU 18 H GLU 18 2.635 2.752 -4.260 123 HA GLU 18 HA GLU 18 3.843 4.213 -6.136 124 1HB GLU 18 1HB GLU 18 2.317 1.708 -6.067 125 2HB GLU 18 2HB GLU 18 2.191 2.487 -7.632 126 1HG GLU 18 1HG GLU 18 4.943 2.581 -6.583 127 2HG GLU 18 2HG GLU 18 4.352 0.936 -6.709 128 H LYS 19 H LYS 19 0.258 3.755 -5.810 129 HA LYS 19 HA LYS 19 -0.472 5.254 -8.017 130 1HB LYS 19 1HB LYS 19 -1.911 4.764 -5.395 131 2HB LYS 19 2HB LYS 19 -2.656 5.493 -6.803 132 1HG LYS 19 1HG LYS 19 -1.433 2.700 -6.639 133 2HG LYS 19 2HG LYS 19 -3.137 3.084 -6.779 134 1HD LYS 19 1HD LYS 19 -2.079 4.446 -8.956 135 2HD LYS 19 2HD LYS 19 -1.029 3.046 -8.876 136 1HE LYS 19 1HE LYS 19 -2.748 1.543 -9.350 137 2HE LYS 19 2HE LYS 19 -3.976 2.531 -8.583 138 1HZ LYS 19 1HZ LYS 19 -2.773 3.755 -10.864 139 2HZ LYS 19 2HZ LYS 19 -3.575 2.375 -11.212 140 3HZ LYS 19 3HZ LYS 19 -4.352 3.606 -10.473 141 H CYS 20 H CYS 20 0.176 6.254 -4.606 142 HA CYS 20 HA CYS 20 -0.612 8.830 -4.701 143 1HB CYS 20 1HB CYS 20 0.413 7.562 -2.751 144 2HB CYS 20 2HB CYS 20 1.988 7.953 -3.412 145 HG CYS 20 HG CYS 20 1.637 10.551 -3.490 146 H GLY 21 H GLY 21 2.856 7.842 -5.227 147 1HA GLY 21 1HA GLY 21 3.743 10.185 -6.361 148 2HA GLY 21 2HA GLY 21 4.420 8.596 -6.656 149 H GLU 22 H GLU 22 1.579 7.764 -7.712 150 HA GLU 22 HA GLU 22 2.211 8.420 -10.409 151 1HB GLU 22 1HB GLU 22 0.892 6.312 -9.088 152 2HB GLU 22 2HB GLU 22 -0.383 7.108 -9.989 153 1HG GLU 22 1HG GLU 22 1.903 6.971 -11.724 154 2HG GLU 22 2HG GLU 22 1.731 5.392 -10.983 155 H ALA 23 H ALA 23 -0.220 9.340 -7.945 156 HA ALA 23 HA ALA 23 -2.035 10.614 -9.615 157 1HB ALA 23 1HB ALA 23 -1.832 12.011 -7.125 158 2HB ALA 23 2HB ALA 23 -3.026 10.784 -7.608 159 3HB ALA 23 3HB ALA 23 -1.514 10.288 -6.810 160 H LEU 24 H LEU 24 1.065 11.709 -8.158 161 HA LEU 24 HA LEU 24 0.730 14.398 -9.009 162 1HB LEU 24 1HB LEU 24 3.047 12.785 -7.963 163 2HB LEU 24 2HB LEU 24 3.233 14.448 -8.483 164 HG LEU 24 HG LEU 24 2.987 14.380 -6.093 165 1HD1 LEU 24 1HD1 LEU 24 1.948 16.257 -7.356 166 2HD1 LEU 24 2HD1 LEU 24 0.389 15.404 -7.265 167 3HD1 LEU 24 3HD1 LEU 24 1.195 15.946 -5.773 168 1HD2 LEU 24 1HD2 LEU 24 1.557 12.159 -6.321 169 2HD2 LEU 24 2HD2 LEU 24 1.430 13.219 -4.896 170 3HD2 LEU 24 3HD2 LEU 24 0.203 13.306 -6.183 171 H GLY 25 H GLY 25 1.202 11.516 -10.705 172 1HA GLY 25 1HA GLY 25 1.415 11.328 -12.980 173 2HA GLY 25 2HA GLY 25 1.966 12.988 -13.088 174 H LEU 26 H LEU 26 3.338 10.650 -10.755 175 HA LEU 26 HA LEU 26 5.808 10.695 -12.346 176 1HB LEU 26 1HB LEU 26 5.685 10.330 -9.366 177 2HB LEU 26 2HB LEU 26 7.067 10.728 -10.366 178 HG LEU 26 HG LEU 26 4.733 12.622 -10.144 179 1HD1 LEU 26 1HD1 LEU 26 6.921 13.355 -8.401 180 2HD1 LEU 26 2HD1 LEU 26 5.182 13.205 -8.049 181 3HD1 LEU 26 3HD1 LEU 26 6.240 11.778 -7.936 182 1HD2 LEU 26 1HD2 LEU 26 6.342 13.050 -11.922 183 2HD2 LEU 26 2HD2 LEU 26 6.437 14.309 -10.667 184 3HD2 LEU 26 3HD2 LEU 26 7.676 13.033 -10.743 185 H LYS 27 H LYS 27 7.269 8.708 -11.702 186 HA LYS 27 HA LYS 27 5.491 6.370 -11.703 187 1HB LYS 27 1HB LYS 27 8.077 6.928 -13.159 188 2HB LYS 27 2HB LYS 27 7.504 5.293 -12.903 189 1HG LYS 27 1HG LYS 27 5.712 7.433 -14.119 190 2HG LYS 27 2HG LYS 27 6.803 6.482 -15.108 191 1HD LYS 27 1HD LYS 27 5.188 4.839 -13.241 192 2HD LYS 27 2HD LYS 27 4.213 5.742 -14.382 193 1HE LYS 27 1HE LYS 27 4.792 4.353 -16.084 194 2HE LYS 27 2HE LYS 27 6.500 4.590 -15.771 195 1HZ LYS 27 1HZ LYS 27 6.532 2.832 -14.310 196 2HZ LYS 27 2HZ LYS 27 4.919 2.837 -14.052 197 3HZ LYS 27 3HZ LYS 27 5.518 2.287 -15.468 198 H GLN 28 H GLN 28 6.653 7.955 -9.390 199 HA GLN 28 HA GLN 28 8.290 5.796 -8.306 200 1HB GLN 28 1HB GLN 28 9.103 7.588 -6.672 201 2HB GLN 28 2HB GLN 28 9.624 7.779 -8.335 202 1HG GLN 28 1HG GLN 28 7.041 9.097 -7.898 203 2HG GLN 28 2HG GLN 28 8.235 9.680 -6.755 204 1HE2 GLN 28 1HE2 GLN 28 8.461 11.674 -7.641 205 2HE2 GLN 28 2HE2 GLN 28 9.204 11.991 -9.174 206 H ALA 29 H ALA 29 8.086 5.728 -5.749 207 HA ALA 29 HA ALA 29 5.210 5.744 -5.193 208 1HB ALA 29 1HB ALA 29 6.505 3.585 -5.085 209 2HB ALA 29 2HB ALA 29 7.458 4.283 -3.753 210 3HB ALA 29 3HB ALA 29 5.707 4.028 -3.557 211 H VAL 30 H VAL 30 4.372 6.831 -3.394 212 HA VAL 30 HA VAL 30 6.253 8.158 -1.628 213 HB VAL 30 HB VAL 30 6.156 9.890 -3.130 214 1HG1 VAL 30 1HG1 VAL 30 4.503 8.753 -4.637 215 2HG1 VAL 30 2HG1 VAL 30 3.199 9.420 -3.625 216 3HG1 VAL 30 3HG1 VAL 30 4.288 10.516 -4.510 217 1HG2 VAL 30 1HG2 VAL 30 5.416 10.647 -0.905 218 2HG2 VAL 30 2HG2 VAL 30 4.696 11.624 -2.207 219 3HG2 VAL 30 3HG2 VAL 30 3.721 10.384 -1.382 220 H LYS 31 H LYS 31 5.559 7.740 0.399 221 HA LYS 31 HA LYS 31 3.365 6.382 1.094 222 1HB LYS 31 1HB LYS 31 5.411 7.611 2.430 223 2HB LYS 31 2HB LYS 31 4.039 8.544 2.994 224 1HG LYS 31 1HG LYS 31 3.827 5.525 2.927 225 2HG LYS 31 2HG LYS 31 4.735 6.283 4.220 226 1HD LYS 31 1HD LYS 31 2.498 7.843 4.290 227 2HD LYS 31 2HD LYS 31 1.789 6.370 3.660 228 1HE LYS 31 1HE LYS 31 2.181 5.171 5.612 229 2HE LYS 31 2HE LYS 31 3.659 6.036 5.981 230 1HZ LYS 31 1HZ LYS 31 0.927 7.064 6.304 231 2HZ LYS 31 2HZ LYS 31 1.967 6.667 7.499 232 3HZ LYS 31 3HZ LYS 31 2.274 7.956 6.544 233 H VAL 32 H VAL 32 1.222 6.844 1.857 234 HA VAL 32 HA VAL 32 0.144 9.246 0.588 235 HB VAL 32 HB VAL 32 -1.112 6.663 1.528 236 1HG1 VAL 32 1HG1 VAL 32 -2.785 8.374 -0.145 237 2HG1 VAL 32 2HG1 VAL 32 -3.162 7.552 1.389 238 3HG1 VAL 32 3HG1 VAL 32 -2.368 9.146 1.404 239 1HG2 VAL 32 1HG2 VAL 32 -1.005 7.741 -1.294 240 2HG2 VAL 32 2HG2 VAL 32 0.303 6.742 -0.616 241 3HG2 VAL 32 3HG2 VAL 32 -1.347 6.084 -0.742 242 HA PRO 33 HA PRO 33 -0.158 10.816 4.667 243 1HB PRO 33 1HB PRO 33 -0.815 13.379 3.983 244 2HB PRO 33 2HB PRO 33 0.839 12.810 4.092 245 1HG PRO 33 1HG PRO 33 -0.779 13.357 1.678 246 2HG PRO 33 2HG PRO 33 0.961 13.206 1.823 247 1HD PRO 33 1HD PRO 33 -0.850 11.244 0.775 248 2HD PRO 33 2HD PRO 33 0.873 11.050 1.027 249 H PHE 34 H PHE 34 -1.946 9.253 4.916 250 HA PHE 34 HA PHE 34 -4.503 9.812 4.159 251 1HB PHE 34 1HB PHE 34 -3.311 8.611 6.727 252 2HB PHE 34 2HB PHE 34 -5.014 8.477 6.336 253 HD1 PHE 34 1HD PHE 34 -5.765 7.032 4.520 254 HD2 PHE 34 2HD PHE 34 -1.649 7.328 5.510 255 HE1 PHE 34 1HE PHE 34 -5.295 4.958 3.187 256 HE2 PHE 34 2HE PHE 34 -1.179 5.254 4.176 257 HZ PHE 34 HZ PHE 34 -3.008 4.094 3.031 258 H ALA 35 H ALA 35 -2.538 11.397 6.629 259 HA ALA 35 HA ALA 35 -4.613 12.427 8.201 260 1HB ALA 35 1HB ALA 35 -2.871 13.292 9.350 261 2HB ALA 35 2HB ALA 35 -1.830 12.432 8.190 262 3HB ALA 35 3HB ALA 35 -2.244 14.142 7.918 263 H LEU 36 H LEU 36 -3.179 13.396 5.080 264 HA LEU 36 HA LEU 36 -4.344 15.979 5.067 265 1HB LEU 36 1HB LEU 36 -2.913 14.218 3.139 266 2HB LEU 36 2HB LEU 36 -3.872 15.532 2.486 267 HG LEU 36 HG LEU 36 -1.645 15.845 4.519 268 1HD1 LEU 36 1HD1 LEU 36 -1.236 17.055 1.897 269 2HD1 LEU 36 2HD1 LEU 36 -0.158 16.025 2.870 270 3HD1 LEU 36 3HD1 LEU 36 -1.390 15.284 1.820 271 1HD2 LEU 36 1HD2 LEU 36 -3.635 17.727 3.363 272 2HD2 LEU 36 2HD2 LEU 36 -2.841 17.721 4.956 273 3HD2 LEU 36 3HD2 LEU 36 -1.961 18.309 3.525 274 H PHE 37 H PHE 37 -5.313 12.722 3.895 275 HA PHE 37 HA PHE 37 -7.636 13.711 2.584 276 1HB PHE 37 1HB PHE 37 -6.739 10.955 3.621 277 2HB PHE 37 2HB PHE 37 -8.120 11.183 2.567 278 HD1 PHE 37 1HD PHE 37 -4.460 11.267 2.768 279 HD2 PHE 37 2HD PHE 37 -7.829 11.650 0.216 280 HE1 PHE 37 1HE PHE 37 -2.962 11.084 0.763 281 HE2 PHE 37 2HE PHE 37 -6.330 11.467 -1.789 282 HZ PHE 37 HZ PHE 37 -3.915 11.186 -1.492 283 H GLU 38 H GLU 38 -6.785 13.111 5.885 284 HA GLU 38 HA GLU 38 -9.514 12.540 6.618 285 1HB GLU 38 1HB GLU 38 -6.944 12.745 8.245 286 2HB GLU 38 2HB GLU 38 -8.511 12.420 8.959 287 1HG GLU 38 1HG GLU 38 -8.120 10.642 6.694 288 2HG GLU 38 2HG GLU 38 -6.716 10.550 7.739 289 H SER 39 H SER 39 -7.073 15.150 6.727 290 HA SER 39 HA SER 39 -8.777 16.781 8.346 291 1HB SER 39 1HB SER 39 -6.007 16.941 7.239 292 2HB SER 39 2HB SER 39 -6.818 18.478 7.460 293 HG SER 39 HG SER 39 -6.871 16.545 9.580 294 H PHE 40 H PHE 40 -7.822 16.383 4.919 295 HA PHE 40 HA PHE 40 -9.852 18.389 4.240 296 1HB PHE 40 1HB PHE 40 -7.179 17.735 2.860 297 2HB PHE 40 2HB PHE 40 -8.315 18.948 2.304 298 HD1 PHE 40 1HD PHE 40 -5.387 18.435 4.132 299 HD2 PHE 40 2HD PHE 40 -8.923 20.781 4.140 300 HE1 PHE 40 1HE PHE 40 -4.240 20.160 5.549 301 HE2 PHE 40 2HE PHE 40 -7.776 22.506 5.557 302 HZ PHE 40 HZ PHE 40 -5.448 22.175 6.245 303 HA PRO 41 HA PRO 41 -10.761 14.425 2.224 304 1HB PRO 41 1HB PRO 41 -13.337 14.144 3.093 305 2HB PRO 41 2HB PRO 41 -11.967 13.407 3.900 306 1HG PRO 41 1HG PRO 41 -13.548 15.768 4.715 307 2HG PRO 41 2HG PRO 41 -12.480 14.775 5.685 308 1HD PRO 41 1HD PRO 41 -11.910 17.379 4.625 309 2HD PRO 41 2HD PRO 41 -10.803 16.337 5.497 310 H GLU 42 H GLU 42 -12.098 17.540 2.266 311 HA GLU 42 HA GLU 42 -13.674 16.953 -0.077 312 1HB GLU 42 1HB GLU 42 -13.554 19.126 1.950 313 2HB GLU 42 2HB GLU 42 -13.898 19.674 0.322 314 1HG GLU 42 1HG GLU 42 -15.418 17.243 1.082 315 2HG GLU 42 2HG GLU 42 -15.768 18.623 2.103 316 H ASP 43 H ASP 43 -10.837 16.589 -0.359 317 HA ASP 43 HA ASP 43 -10.441 18.342 -2.554 318 1HB ASP 43 1HB ASP 43 -8.568 18.441 -0.144 319 2HB ASP 43 2HB ASP 43 -8.135 19.068 -1.722 320 H PHE 44 H PHE 44 -9.010 16.018 -0.163 321 HA PHE 44 HA PHE 44 -7.680 14.669 -2.404 322 1HB PHE 44 1HB PHE 44 -7.185 14.574 0.632 323 2HB PHE 44 2HB PHE 44 -6.167 13.822 -0.580 324 HD1 PHE 44 1HD PHE 44 -5.464 15.656 -2.511 325 HD2 PHE 44 2HD PHE 44 -6.314 16.481 1.564 326 HE1 PHE 44 1HE PHE 44 -4.080 17.746 -2.645 327 HE2 PHE 44 2HE PHE 44 -4.930 18.571 1.430 328 HZ PHE 44 HZ PHE 44 -3.829 19.178 -0.673 329 H TYR 45 H TYR 45 -8.347 12.637 -2.945 330 HA TYR 45 HA TYR 45 -9.290 10.789 -1.040 331 1HB TYR 45 1HB TYR 45 -11.669 10.775 -2.114 332 2HB TYR 45 2HB TYR 45 -11.334 12.134 -1.059 333 HD1 TYR 45 1HD TYR 45 -11.276 11.137 -4.665 334 HD2 TYR 45 2HD TYR 45 -11.621 14.329 -1.837 335 HE1 TYR 45 1HE TYR 45 -11.861 12.748 -6.543 336 HE2 TYR 45 2HE TYR 45 -12.205 15.929 -3.725 337 HH TYR 45 HH TYR 45 -13.347 15.213 -6.402 338 H VAL 46 H VAL 46 -9.687 8.689 -1.988 339 HA VAL 46 HA VAL 46 -8.564 8.522 -4.680 340 HB VAL 46 HB VAL 46 -8.908 6.497 -2.462 341 1HG1 VAL 46 1HG1 VAL 46 -9.131 5.241 -4.453 342 2HG1 VAL 46 2HG1 VAL 46 -7.879 6.190 -5.291 343 3HG1 VAL 46 3HG1 VAL 46 -7.422 5.073 -3.983 344 1HG2 VAL 46 1HG2 VAL 46 -6.911 8.456 -2.962 345 2HG2 VAL 46 2HG2 VAL 46 -6.910 7.166 -1.736 346 3HG2 VAL 46 3HG2 VAL 46 -6.200 6.869 -3.341 347 H GLU 47 H GLU 47 -9.592 7.222 -6.319 348 HA GLU 47 HA GLU 47 -12.379 6.634 -5.712 349 1HB GLU 47 1HB GLU 47 -11.296 8.073 -8.171 350 2HB GLU 47 2HB GLU 47 -12.921 7.426 -8.072 351 1HG GLU 47 1HG GLU 47 -12.506 8.943 -5.676 352 2HG GLU 47 2HG GLU 47 -11.888 9.919 -6.993 353 H GLY 48 H GLY 48 -13.360 5.111 -7.445 354 1HA GLY 48 1HA GLY 48 -13.068 3.441 -9.047 355 2HA GLY 48 2HA GLY 48 -11.341 3.430 -8.748 356 H LEU 49 H LEU 49 -11.831 3.507 -5.716 357 HA LEU 49 HA LEU 49 -11.460 0.910 -5.114 358 1HB LEU 49 1HB LEU 49 -12.653 3.202 -3.603 359 2HB LEU 49 2HB LEU 49 -12.629 1.609 -2.873 360 HG LEU 49 HG LEU 49 -10.117 2.869 -3.973 361 1HD1 LEU 49 1HD1 LEU 49 -11.523 4.183 -2.102 362 2HD1 LEU 49 2HD1 LEU 49 -10.635 3.050 -1.055 363 3HD1 LEU 49 3HD1 LEU 49 -9.744 4.143 -2.141 364 1HD2 LEU 49 1HD2 LEU 49 -10.552 0.778 -1.823 365 2HD2 LEU 49 2HD2 LEU 49 -10.095 0.448 -3.511 366 3HD2 LEU 49 3HD2 LEU 49 -8.989 1.354 -2.451 367 HA PRO 50 HA PRO 50 -15.203 -1.152 -5.715 368 1HB PRO 50 1HB PRO 50 -14.931 -3.285 -4.027 369 2HB PRO 50 2HB PRO 50 -14.173 -3.209 -5.606 370 1HG PRO 50 1HG PRO 50 -12.940 -2.873 -2.940 371 2HG PRO 50 2HG PRO 50 -12.165 -3.222 -4.473 372 1HD PRO 50 1HD PRO 50 -12.227 -0.695 -3.117 373 2HD PRO 50 2HD PRO 50 -11.552 -1.018 -4.702 374 H GLU 51 H GLU 51 -17.266 -1.956 -4.779 375 HA GLU 51 HA GLU 51 -18.227 0.000 -3.098 376 1HB GLU 51 1HB GLU 51 -19.266 -2.177 -4.562 377 2HB GLU 51 2HB GLU 51 -19.738 -2.505 -2.907 378 1HG GLU 51 1HG GLU 51 -21.510 -1.154 -3.675 379 2HG GLU 51 2HG GLU 51 -20.496 0.003 -2.837 380 H GLY 52 H GLY 52 -18.999 -0.126 -0.849 381 1HA GLY 52 1HA GLY 52 -18.573 -0.476 1.335 382 2HA GLY 52 2HA GLY 52 -18.658 -2.178 0.923 383 H VAL 53 H VAL 53 -16.177 -0.213 -0.644 384 HA VAL 53 HA VAL 53 -14.197 -1.212 1.274 385 HB VAL 53 HB VAL 53 -13.980 -1.310 -1.741 386 1HG1 VAL 53 1HG1 VAL 53 -11.932 -1.057 0.060 387 2HG1 VAL 53 2HG1 VAL 53 -12.068 -2.826 -0.082 388 3HG1 VAL 53 3HG1 VAL 53 -11.797 -1.835 -1.536 389 1HG2 VAL 53 1HG2 VAL 53 -15.260 -3.113 0.046 390 2HG2 VAL 53 2HG2 VAL 53 -14.929 -3.326 -1.690 391 3HG2 VAL 53 3HG2 VAL 53 -13.743 -3.879 -0.483 392 HA PRO 54 HA PRO 54 -13.579 3.168 0.750 393 1HB PRO 54 1HB PRO 54 -12.825 3.684 3.325 394 2HB PRO 54 2HB PRO 54 -14.487 3.776 2.776 395 1HG PRO 54 1HG PRO 54 -13.189 1.684 4.413 396 2HG PRO 54 2HG PRO 54 -14.897 2.019 4.214 397 1HD PRO 54 1HD PRO 54 -13.412 -0.110 2.994 398 2HD PRO 54 2HD PRO 54 -15.092 0.295 2.705 399 H PHE 55 H PHE 55 -11.644 4.676 1.394 400 HA PHE 55 HA PHE 55 -9.351 3.155 0.494 401 1HB PHE 55 1HB PHE 55 -9.994 5.353 -0.533 402 2HB PHE 55 2HB PHE 55 -9.958 6.121 1.042 403 HD1 PHE 55 1HD PHE 55 -7.577 3.914 -0.818 404 HD2 PHE 55 2HD PHE 55 -8.196 7.583 1.221 405 HE1 PHE 55 1HE PHE 55 -5.165 4.514 -1.166 406 HE2 PHE 55 2HE PHE 55 -5.783 8.183 0.874 407 HZ PHE 55 HZ PHE 55 -4.297 6.641 -0.316 408 H ARG 56 H ARG 56 -10.268 2.557 3.183 409 HA ARG 56 HA ARG 56 -8.865 4.047 5.056 410 1HB ARG 56 1HB ARG 56 -10.226 1.366 4.976 411 2HB ARG 56 2HB ARG 56 -9.096 1.621 6.291 412 1HG ARG 56 1HG ARG 56 -11.112 3.792 5.700 413 2HG ARG 56 2HG ARG 56 -11.672 2.340 6.506 414 1HD ARG 56 1HD ARG 56 -10.161 2.663 8.366 415 2HD ARG 56 2HD ARG 56 -9.234 3.874 7.503 416 HE ARG 56 HE ARG 56 -11.976 4.729 7.691 417 1HH1 ARG 56 2HH2 ARG 56 -9.088 4.334 9.662 418 2HH1 ARG 56 1HH2 ARG 56 -9.532 5.573 10.789 419 1HH2 ARG 56 2HH1 ARG 56 -12.563 6.363 9.176 420 2HH2 ARG 56 1HH1 ARG 56 -11.522 6.735 10.510 421 H ARG 57 H ARG 57 -7.175 2.719 6.591 422 HA ARG 57 HA ARG 57 -4.887 2.485 5.071 423 1HB ARG 57 1HB ARG 57 -5.468 1.424 7.883 424 2HB ARG 57 2HB ARG 57 -3.863 1.593 7.202 425 1HG ARG 57 1HG ARG 57 -4.246 4.055 6.921 426 2HG ARG 57 2HG ARG 57 -5.846 3.882 7.614 427 1HD ARG 57 1HD ARG 57 -4.374 2.672 9.579 428 2HD ARG 57 2HD ARG 57 -3.170 3.787 8.964 429 HE ARG 57 HE ARG 57 -5.570 4.482 10.460 430 1HH1 ARG 57 2HH2 ARG 57 -3.285 5.668 8.062 431 2HH1 ARG 57 1HH2 ARG 57 -3.582 7.337 8.418 432 1HH2 ARG 57 2HH1 ARG 57 -5.963 6.683 10.929 433 2HH2 ARG 57 1HH1 ARG 57 -5.116 7.918 10.059 434 HA PRO 58 HA PRO 58 -4.968 -1.712 3.885 435 1HB PRO 58 1HB PRO 58 -2.311 -2.242 3.528 436 2HB PRO 58 2HB PRO 58 -3.287 -1.397 2.344 437 1HG PRO 58 1HG PRO 58 -1.269 -0.300 4.205 438 2HG PRO 58 2HG PRO 58 -1.933 0.425 2.754 439 1HD PRO 58 1HD PRO 58 -2.613 1.077 5.463 440 2HD PRO 58 2HD PRO 58 -3.359 1.717 4.012 441 H SER 59 H SER 59 -2.505 -1.074 6.326 442 HA SER 59 HA SER 59 -2.536 -3.728 7.219 443 1HB SER 59 1HB SER 59 -1.199 -2.869 9.109 444 2HB SER 59 2HB SER 59 -0.620 -2.218 7.589 445 HG SER 59 HG SER 59 -0.760 -0.529 9.138 446 H THR 60 H THR 60 -5.119 -3.576 7.139 447 HA THR 60 HA THR 60 -6.011 -3.776 9.796 448 HB THR 60 HB THR 60 -6.014 -1.102 8.659 449 HG1 THR 60 1HG THR 60 -5.636 -1.864 10.900 450 1HG2 THR 60 1HG2 THR 60 -8.410 -0.567 9.238 451 2HG2 THR 60 2HG2 THR 60 -8.286 -1.593 7.789 452 3HG2 THR 60 3HG2 THR 60 -8.744 -2.312 9.352 453 H PHE 61 H PHE 61 -6.847 -3.183 6.349 454 HA PHE 61 HA PHE 61 -9.393 -4.172 6.356 455 1HB PHE 61 1HB PHE 61 -7.021 -4.284 4.422 456 2HB PHE 61 2HB PHE 61 -8.567 -4.955 3.944 457 HD1 PHE 61 1HD PHE 61 -6.779 -2.423 3.040 458 HD2 PHE 61 2HD PHE 61 -10.424 -2.965 5.144 459 HE1 PHE 61 1HE PHE 61 -7.541 -0.147 2.306 460 HE2 PHE 61 2HE PHE 61 -11.186 -0.688 4.411 461 HZ PHE 61 HZ PHE 61 -9.735 0.694 3.001 462 H GLY 62 H GLY 62 -10.214 -6.298 5.479 463 1HA GLY 62 1HA GLY 62 -9.140 -8.447 7.017 464 2HA GLY 62 2HA GLY 62 -10.481 -8.503 5.891 465 H ILE 63 H ILE 63 -9.127 -10.708 5.655 466 HA ILE 63 HA ILE 63 -6.776 -10.521 4.072 467 HB ILE 63 HB ILE 63 -8.601 -12.730 4.957 468 1HG1 ILE 63 1HG1 ILE 63 -5.634 -12.522 5.403 469 2HG1 ILE 63 2HG1 ILE 63 -6.733 -11.556 6.368 470 1HG2 ILE 63 1HG2 ILE 63 -6.218 -13.084 3.119 471 2HG2 ILE 63 2HG2 ILE 63 -7.237 -14.366 3.816 472 3HG2 ILE 63 3HG2 ILE 63 -7.923 -13.229 2.630 473 1HD1 ILE 63 1HD1 ILE 63 -7.099 -13.359 7.684 474 2HD1 ILE 63 2HD1 ILE 63 -7.856 -14.179 6.298 475 3HD1 ILE 63 3HD1 ILE 63 -6.114 -14.378 6.607 476 HA PRO 64 HA PRO 64 -9.925 -11.422 0.651 477 1HB PRO 64 1HB PRO 64 -12.582 -11.002 1.132 478 2HB PRO 64 2HB PRO 64 -11.826 -12.579 1.240 479 1HG PRO 64 1HG PRO 64 -12.697 -10.787 3.424 480 2HG PRO 64 2HG PRO 64 -12.343 -12.502 3.487 481 1HD PRO 64 1HD PRO 64 -10.665 -10.369 4.413 482 2HD PRO 64 2HD PRO 64 -10.264 -12.074 4.370 483 H ARG 65 H ARG 65 -11.047 -8.834 2.754 484 HA ARG 65 HA ARG 65 -11.874 -7.131 0.829 485 1HB ARG 65 1HB ARG 65 -11.312 -7.013 3.605 486 2HB ARG 65 2HB ARG 65 -10.352 -5.718 2.917 487 1HG ARG 65 1HG ARG 65 -12.639 -5.230 1.569 488 2HG ARG 65 2HG ARG 65 -13.347 -6.058 2.942 489 1HD ARG 65 1HD ARG 65 -11.336 -3.820 3.375 490 2HD ARG 65 2HD ARG 65 -13.019 -3.447 3.061 491 HE ARG 65 HE ARG 65 -12.730 -5.457 5.149 492 1HH1 ARG 65 2HH2 ARG 65 -12.630 -1.998 4.512 493 2HH1 ARG 65 1HH2 ARG 65 -13.019 -1.557 6.141 494 1HH2 ARG 65 2HH1 ARG 65 -13.242 -4.876 7.299 495 2HH2 ARG 65 1HH1 ARG 65 -13.369 -3.206 7.737 496 H LEU 66 H LEU 66 -8.532 -7.759 2.028 497 HA LEU 66 HA LEU 66 -7.234 -5.668 0.781 498 1HB LEU 66 1HB LEU 66 -6.457 -8.405 1.695 499 2HB LEU 66 2HB LEU 66 -5.318 -7.473 0.744 500 HG LEU 66 HG LEU 66 -6.586 -6.245 3.178 501 1HD1 LEU 66 1HD1 LEU 66 -5.282 -8.657 3.376 502 2HD1 LEU 66 2HD1 LEU 66 -3.975 -7.484 3.666 503 3HD1 LEU 66 3HD1 LEU 66 -5.442 -7.449 4.673 504 1HD2 LEU 66 1HD2 LEU 66 -5.313 -4.794 1.687 505 2HD2 LEU 66 2HD2 LEU 66 -4.489 -4.979 3.254 506 3HD2 LEU 66 3HD2 LEU 66 -3.899 -5.866 1.828 507 H GLU 67 H GLU 67 -8.013 -8.980 -0.462 508 HA GLU 67 HA GLU 67 -6.800 -8.569 -2.924 509 1HB GLU 67 1HB GLU 67 -8.774 -10.517 -1.778 510 2HB GLU 67 2HB GLU 67 -8.654 -10.449 -3.525 511 1HG GLU 67 1HG GLU 67 -6.005 -10.453 -2.216 512 2HG GLU 67 2HG GLU 67 -6.951 -11.871 -1.809 513 H LYS 68 H LYS 68 -10.122 -7.944 -1.701 514 HA LYS 68 HA LYS 68 -11.391 -7.456 -4.090 515 1HB LYS 68 1HB LYS 68 -11.826 -6.054 -1.436 516 2HB LYS 68 2HB LYS 68 -12.969 -6.132 -2.762 517 1HG LYS 68 1HG LYS 68 -12.376 -8.811 -2.428 518 2HG LYS 68 2HG LYS 68 -12.218 -8.230 -0.782 519 1HD LYS 68 1HD LYS 68 -14.470 -8.122 -0.559 520 2HD LYS 68 2HD LYS 68 -14.586 -7.030 -1.924 521 1HE LYS 68 1HE LYS 68 -14.592 -8.968 -3.495 522 2HE LYS 68 2HE LYS 68 -14.428 -10.075 -2.146 523 1HZ LYS 68 1HZ LYS 68 -16.524 -9.099 -1.289 524 2HZ LYS 68 2HZ LYS 68 -16.695 -8.300 -2.702 525 3HZ LYS 68 3HZ LYS 68 -16.692 -9.933 -2.683 526 H ILE 69 H ILE 69 -9.212 -5.359 -2.154 527 HA ILE 69 HA ILE 69 -9.675 -3.046 -3.701 528 HB ILE 69 HB ILE 69 -7.592 -3.923 -1.730 529 1HG1 ILE 69 1HG1 ILE 69 -9.143 -1.433 -1.374 530 2HG1 ILE 69 2HG1 ILE 69 -10.107 -2.895 -1.414 531 1HG2 ILE 69 1HG2 ILE 69 -7.355 -1.765 -3.723 532 2HG2 ILE 69 2HG2 ILE 69 -7.060 -1.269 -2.039 533 3HG2 ILE 69 3HG2 ILE 69 -6.108 -2.590 -2.758 534 1HD1 ILE 69 1HD1 ILE 69 -8.546 -3.909 0.309 535 2HD1 ILE 69 2HD1 ILE 69 -7.737 -2.327 0.421 536 3HD1 ILE 69 3HD1 ILE 69 -9.446 -2.488 0.892 537 H LEU 70 H LEU 70 -6.860 -5.350 -3.619 538 HA LEU 70 HA LEU 70 -5.471 -4.337 -5.718 539 1HB LEU 70 1HB LEU 70 -5.831 -7.118 -4.654 540 2HB LEU 70 2HB LEU 70 -4.837 -6.837 -6.070 541 HG LEU 70 HG LEU 70 -4.133 -4.993 -3.939 542 1HD1 LEU 70 1HD1 LEU 70 -3.042 -6.878 -2.544 543 2HD1 LEU 70 2HD1 LEU 70 -4.764 -6.502 -2.289 544 3HD1 LEU 70 3HD1 LEU 70 -4.296 -7.920 -3.260 545 1HD2 LEU 70 1HD2 LEU 70 -1.878 -5.993 -4.337 546 2HD2 LEU 70 2HD2 LEU 70 -2.637 -7.125 -5.483 547 3HD2 LEU 70 3HD2 LEU 70 -2.678 -5.374 -5.802 548 H ARG 71 H ARG 71 -8.155 -6.774 -5.864 549 HA ARG 71 HA ARG 71 -8.201 -7.384 -8.412 550 1HB ARG 71 1HB ARG 71 -10.418 -6.733 -6.468 551 2HB ARG 71 2HB ARG 71 -10.869 -7.021 -8.136 552 1HG ARG 71 1HG ARG 71 -9.915 -9.244 -8.118 553 2HG ARG 71 2HG ARG 71 -9.077 -8.952 -6.607 554 1HD ARG 71 1HD ARG 71 -10.896 -9.576 -5.389 555 2HD ARG 71 2HD ARG 71 -11.935 -8.463 -6.256 556 HE ARG 71 HE ARG 71 -12.676 -10.237 -7.588 557 1HH1 ARG 71 2HH2 ARG 71 -9.651 -11.155 -6.044 558 2HH1 ARG 71 1HH2 ARG 71 -9.716 -12.794 -6.600 559 1HH2 ARG 71 2HH1 ARG 71 -12.763 -12.399 -8.322 560 2HH2 ARG 71 1HH1 ARG 71 -11.498 -13.506 -7.905 561 H ASN 72 H ASN 72 -9.172 -4.220 -7.013 562 HA ASN 72 HA ASN 72 -9.509 -3.261 -9.747 563 1HB ASN 72 1HB ASN 72 -10.829 -2.429 -7.125 564 2HB ASN 72 2HB ASN 72 -10.812 -1.343 -8.501 565 1HD2 ASN 72 1HD2 ASN 72 -13.132 -2.341 -7.349 566 2HD2 ASN 72 2HD2 ASN 72 -13.957 -3.372 -8.470 567 H LYS 73 H LYS 73 -6.909 -3.422 -8.886 568 HA LYS 73 HA LYS 73 -6.124 -1.137 -7.365 569 1HB LYS 73 1HB LYS 73 -3.974 -2.009 -7.477 570 2HB LYS 73 2HB LYS 73 -4.982 -3.442 -7.518 571 1HG LYS 73 1HG LYS 73 -4.818 -3.465 -10.028 572 2HG LYS 73 2HG LYS 73 -3.773 -2.060 -9.961 573 1HD LYS 73 1HD LYS 73 -2.293 -3.936 -10.122 574 2HD LYS 73 2HD LYS 73 -2.208 -3.425 -8.448 575 1HE LYS 73 1HE LYS 73 -2.658 -5.606 -7.943 576 2HE LYS 73 2HE LYS 73 -4.317 -5.219 -8.352 577 1HZ LYS 73 1HZ LYS 73 -3.997 -6.864 -9.807 578 2HZ LYS 73 2HZ LYS 73 -3.327 -5.706 -10.744 579 3HZ LYS 73 3HZ LYS 73 -2.373 -6.697 -9.864 580 H ALA 74 H ALA 74 -5.976 -2.123 -10.848 581 HA ALA 74 HA ALA 74 -4.774 0.263 -11.706 582 1HB ALA 74 1HB ALA 74 -4.610 -1.587 -13.151 583 2HB ALA 74 2HB ALA 74 -6.344 -1.968 -13.014 584 3HB ALA 74 3HB ALA 74 -5.816 -0.550 -13.950 585 H LYS 75 H LYS 75 -8.206 -0.818 -11.399 586 HA LYS 75 HA LYS 75 -9.382 1.359 -12.630 587 1HB LYS 75 1HB LYS 75 -10.421 -0.320 -10.327 588 2HB LYS 75 2HB LYS 75 -11.391 0.723 -11.346 589 1HG LYS 75 1HG LYS 75 -9.684 -1.557 -12.444 590 2HG LYS 75 2HG LYS 75 -11.370 -1.750 -12.007 591 1HD LYS 75 1HD LYS 75 -11.481 0.514 -13.602 592 2HD LYS 75 2HD LYS 75 -10.169 -0.371 -14.356 593 1HE LYS 75 1HE LYS 75 -11.576 -1.963 -15.196 594 2HE LYS 75 2HE LYS 75 -12.432 -2.136 -13.677 595 1HZ LYS 75 1HZ LYS 75 -13.820 -0.381 -14.203 596 2HZ LYS 75 2HZ LYS 75 -12.845 0.210 -15.373 597 3HZ LYS 75 3HZ LYS 75 -13.678 -1.172 -15.625 598 H ILE 76 H ILE 76 -8.359 0.885 -9.195 599 HA ILE 76 HA ILE 76 -9.366 3.145 -8.088 600 HB ILE 76 HB ILE 76 -6.897 1.530 -7.632 601 1HG1 ILE 76 1HG1 ILE 76 -9.128 2.150 -5.699 602 2HG1 ILE 76 2HG1 ILE 76 -9.324 0.932 -6.944 603 1HG2 ILE 76 1HG2 ILE 76 -7.535 4.167 -6.301 604 2HG2 ILE 76 2HG2 ILE 76 -6.513 2.920 -5.547 605 3HG2 ILE 76 3HG2 ILE 76 -6.024 3.657 -7.091 606 1HD1 ILE 76 1HD1 ILE 76 -6.751 0.693 -5.506 607 2HD1 ILE 76 2HD1 ILE 76 -8.173 0.504 -4.453 608 3HD1 ILE 76 3HD1 ILE 76 -7.968 -0.553 -5.870 609 H LYS 77 H LYS 77 -8.650 5.321 -7.787 610 HA LYS 77 HA LYS 77 -6.406 6.209 -9.371 611 1HB LYS 77 1HB LYS 77 -8.759 6.125 -10.703 612 2HB LYS 77 2HB LYS 77 -8.907 7.704 -9.959 613 1HG LYS 77 1HG LYS 77 -6.977 8.550 -11.042 614 2HG LYS 77 2HG LYS 77 -6.307 6.955 -11.319 615 1HD LYS 77 1HD LYS 77 -7.803 6.497 -13.119 616 2HD LYS 77 2HD LYS 77 -8.928 7.748 -12.629 617 1HE LYS 77 1HE LYS 77 -7.437 9.513 -13.358 618 2HE LYS 77 2HE LYS 77 -6.092 8.404 -13.534 619 1HZ LYS 77 1HZ LYS 77 -8.438 7.757 -15.064 620 2HZ LYS 77 2HZ LYS 77 -7.654 9.113 -15.526 621 3HZ LYS 77 3HZ LYS 77 -6.863 7.685 -15.489 622 H PHE 78 H PHE 78 -5.418 7.970 -8.435 623 HA PHE 78 HA PHE 78 -6.613 8.846 -5.939 624 1HB PHE 78 1HB PHE 78 -3.915 8.872 -7.345 625 2HB PHE 78 2HB PHE 78 -4.180 10.069 -6.093 626 HD1 PHE 78 1HD PHE 78 -3.363 9.512 -4.023 627 HD2 PHE 78 2HD PHE 78 -4.790 6.402 -6.533 628 HE1 PHE 78 1HE PHE 78 -2.751 7.819 -2.273 629 HE2 PHE 78 2HE PHE 78 -4.178 4.710 -4.784 630 HZ PHE 78 HZ PHE 78 -3.166 5.438 -2.675 631 H ILE 79 H ILE 79 -7.429 10.881 -5.574 632 HA ILE 79 HA ILE 79 -7.191 12.759 -7.820 633 HB ILE 79 HB ILE 79 -9.418 12.513 -5.795 634 1HG1 ILE 79 1HG1 ILE 79 -9.621 10.586 -7.110 635 2HG1 ILE 79 2HG1 ILE 79 -10.724 11.735 -7.842 636 1HG2 ILE 79 1HG2 ILE 79 -10.388 13.922 -7.935 637 2HG2 ILE 79 2HG2 ILE 79 -9.801 14.630 -6.412 638 3HG2 ILE 79 3HG2 ILE 79 -8.717 14.522 -7.820 639 1HD1 ILE 79 1HD1 ILE 79 -9.630 11.030 -9.756 640 2HD1 ILE 79 2HD1 ILE 79 -8.529 12.349 -9.291 641 3HD1 ILE 79 3HD1 ILE 79 -8.122 10.664 -8.885 642 H ILE 80 H ILE 80 -6.420 14.812 -7.432 643 HA ILE 80 HA ILE 80 -6.064 15.593 -4.647 644 HB ILE 80 HB ILE 80 -3.792 15.744 -6.619 645 1HG1 ILE 80 1HG1 ILE 80 -4.609 13.503 -4.806 646 2HG1 ILE 80 2HG1 ILE 80 -3.945 13.446 -6.427 647 1HG2 ILE 80 1HG2 ILE 80 -3.656 15.856 -3.609 648 2HG2 ILE 80 2HG2 ILE 80 -2.461 16.401 -4.811 649 3HG2 ILE 80 3HG2 ILE 80 -3.978 17.305 -4.591 650 1HD1 ILE 80 1HD1 ILE 80 -2.502 13.918 -3.808 651 2HD1 ILE 80 2HD1 ILE 80 -2.116 12.766 -5.109 652 3HD1 ILE 80 3HD1 ILE 80 -1.793 14.503 -5.332 653 H LYS 81 H LYS 81 -7.130 17.486 -4.482 654 HA LYS 81 HA LYS 81 -7.259 19.166 -6.865 655 1HB LYS 81 1HB LYS 81 -8.859 19.237 -4.290 656 2HB LYS 81 2HB LYS 81 -9.087 20.313 -5.653 657 1HG LYS 81 1HG LYS 81 -9.936 18.609 -7.042 658 2HG LYS 81 2HG LYS 81 -9.125 17.333 -6.156 659 1HD LYS 81 1HD LYS 81 -10.886 17.060 -4.738 660 2HD LYS 81 2HD LYS 81 -11.000 18.780 -4.423 661 1HE LYS 81 1HE LYS 81 -11.920 17.899 -7.135 662 2HE LYS 81 2HE LYS 81 -12.904 17.359 -5.789 663 1HZ LYS 81 1HZ LYS 81 -13.756 19.408 -6.292 664 2HZ LYS 81 2HZ LYS 81 -12.746 19.787 -5.066 665 3HZ LYS 81 3HZ LYS 81 -12.307 20.091 -6.610 666 H LYS 82 H LYS 82 -5.434 18.738 -4.021 667 HA LYS 82 HA LYS 82 -4.431 21.466 -4.299 668 1HB LYS 82 1HB LYS 82 -5.297 20.171 -1.702 669 2HB LYS 82 2HB LYS 82 -4.244 21.569 -1.778 670 1HG LYS 82 1HG LYS 82 -6.171 22.526 -3.380 671 2HG LYS 82 2HG LYS 82 -7.158 21.344 -2.543 672 1HD LYS 82 1HD LYS 82 -6.778 22.358 -0.406 673 2HD LYS 82 2HD LYS 82 -5.396 23.267 -0.983 674 1HE LYS 82 1HE LYS 82 -7.156 24.374 -2.639 675 2HE LYS 82 2HE LYS 82 -8.339 23.780 -1.491 676 1HZ LYS 82 1HZ LYS 82 -6.871 26.049 -1.260 677 2HZ LYS 82 2HZ LYS 82 -7.778 25.366 -0.086 678 3HZ LYS 82 3HZ LYS 82 -6.182 25.037 -0.179 679 HA PRO 83 HA PRO 83 -1.189 18.318 -4.345 680 1HB PRO 83 1HB PRO 83 -0.018 19.036 -6.708 681 2HB PRO 83 2HB PRO 83 -1.229 17.775 -6.583 682 1HG PRO 83 1HG PRO 83 -1.517 20.524 -7.632 683 2HG PRO 83 2HG PRO 83 -2.561 19.138 -7.881 684 1HD PRO 83 1HD PRO 83 -3.040 21.355 -6.124 685 2HD PRO 83 2HD PRO 83 -4.025 19.915 -6.288 686 H GLU 84 H GLU 84 -1.458 21.599 -4.111 687 HA GLU 84 HA GLU 84 1.339 22.111 -4.052 688 1HB GLU 84 1HB GLU 84 0.667 24.389 -3.375 689 2HB GLU 84 2HB GLU 84 -0.267 23.850 -4.756 690 1HG GLU 84 1HG GLU 84 -2.199 23.346 -3.364 691 2HG GLU 84 2HG GLU 84 -1.271 23.550 -1.892 692 H MET 85 H MET 85 -1.050 20.865 -1.858 693 HA MET 85 HA MET 85 0.569 21.618 0.429 694 1HB MET 85 1HB MET 85 -2.231 20.440 0.067 695 2HB MET 85 2HB MET 85 -1.468 20.486 1.644 696 1HG MET 85 1HG MET 85 -1.272 23.087 0.272 697 2HG MET 85 2HG MET 85 -2.938 22.569 0.436 698 1HE MET 85 1HE MET 85 -4.076 21.908 2.601 699 2HE MET 85 2HE MET 85 -2.823 20.760 3.130 700 3HE MET 85 3HE MET 85 -3.379 22.040 4.234 701 H PHE 86 H PHE 86 0.481 19.189 -1.854 702 HA PHE 86 HA PHE 86 0.938 17.027 0.036 703 1HB PHE 86 1HB PHE 86 -0.041 17.422 -2.683 704 2HB PHE 86 2HB PHE 86 1.367 16.383 -2.774 705 HD1 PHE 86 1HD PHE 86 1.131 14.102 -2.406 706 HD2 PHE 86 2HD PHE 86 -1.861 16.734 -0.946 707 HE1 PHE 86 1HE PHE 86 -0.280 12.133 -1.749 708 HE2 PHE 86 2HE PHE 86 -3.272 14.765 -0.289 709 HZ PHE 86 HZ PHE 86 -2.465 12.488 -0.698 710 H GLU 87 H GLU 87 2.618 19.117 -2.330 711 HA GLU 87 HA GLU 87 4.851 17.809 -2.865 712 1HB GLU 87 1HB GLU 87 4.041 20.544 -2.761 713 2HB GLU 87 2HB GLU 87 5.615 20.474 -1.995 714 1HG GLU 87 1HG GLU 87 5.609 18.794 -4.380 715 2HG GLU 87 2HG GLU 87 5.039 20.400 -4.789 716 H THR 88 H THR 88 4.293 19.686 0.198 717 HA THR 88 HA THR 88 6.665 19.338 1.447 718 HB THR 88 HB THR 88 3.776 19.321 2.415 719 HG1 THR 88 1HG THR 88 6.128 21.073 2.586 720 1HG2 THR 88 1HG2 THR 88 5.373 20.128 4.563 721 2HG2 THR 88 2HG2 THR 88 4.528 18.566 4.453 722 3HG2 THR 88 3HG2 THR 88 6.233 18.693 3.955 723 H ALA 89 H ALA 89 3.979 16.912 1.371 724 HA ALA 89 HA ALA 89 5.425 15.019 2.880 725 1HB ALA 89 1HB ALA 89 3.373 14.109 2.887 726 2HB ALA 89 2HB ALA 89 2.834 15.333 1.713 727 3HB ALA 89 3HB ALA 89 3.497 13.783 1.142 728 H ILE 90 H ILE 90 4.817 15.428 -0.675 729 HA ILE 90 HA ILE 90 6.242 13.205 -1.496 730 HB ILE 90 HB ILE 90 5.781 15.854 -2.868 731 1HG1 ILE 90 1HG1 ILE 90 4.251 13.376 -3.520 732 2HG1 ILE 90 2HG1 ILE 90 3.860 14.189 -2.018 733 1HG2 ILE 90 1HG2 ILE 90 7.602 14.760 -3.978 734 2HG2 ILE 90 2HG2 ILE 90 6.739 13.204 -3.976 735 3HG2 ILE 90 3HG2 ILE 90 6.137 14.554 -4.968 736 1HD1 ILE 90 1HD1 ILE 90 3.972 15.561 -4.744 737 2HD1 ILE 90 2HD1 ILE 90 2.483 15.016 -3.935 738 3HD1 ILE 90 3HD1 ILE 90 3.467 16.310 -3.210 739 H LYS 91 H LYS 91 7.332 16.136 0.002 740 HA LYS 91 HA LYS 91 9.983 15.962 -1.123 741 1HB LYS 91 1HB LYS 91 8.512 17.833 0.688 742 2HB LYS 91 2HB LYS 91 10.260 17.792 0.795 743 1HG LYS 91 1HG LYS 91 10.217 17.976 -1.824 744 2HG LYS 91 2HG LYS 91 8.546 18.463 -1.624 745 1HD LYS 91 1HD LYS 91 9.169 20.558 -1.020 746 2HD LYS 91 2HD LYS 91 10.168 19.934 0.278 747 1HE LYS 91 1HE LYS 91 12.099 19.755 -1.128 748 2HE LYS 91 2HE LYS 91 11.149 19.849 -2.598 749 1HZ LYS 91 1HZ LYS 91 11.897 21.985 -0.779 750 2HZ LYS 91 2HZ LYS 91 11.932 21.956 -2.411 751 3HZ LYS 91 3HZ LYS 91 10.511 22.142 -1.628 752 H GLU 92 H GLU 92 8.409 15.529 2.119 753 HA GLU 92 HA GLU 92 10.784 14.565 3.264 754 1HB GLU 92 1HB GLU 92 9.468 14.190 5.231 755 2HB GLU 92 2HB GLU 92 8.810 15.629 4.477 756 1HG GLU 92 1HG GLU 92 6.777 14.647 4.285 757 2HG GLU 92 2HG GLU 92 7.464 13.341 3.339 758 H SER 93 H SER 93 8.709 13.210 0.968 759 HA SER 93 HA SER 93 9.046 10.523 1.987 760 1HB SER 93 1HB SER 93 7.352 11.791 -0.171 761 2HB SER 93 2HB SER 93 7.676 10.071 -0.248 762 HG SER 93 HG SER 93 5.910 10.042 1.017 763 H SER 94 H SER 94 9.665 12.497 -1.003 764 HA SER 94 HA SER 94 11.121 12.315 -2.602 765 1HB SER 94 1HB SER 94 12.633 11.327 -0.223 766 2HB SER 94 2HB SER 94 13.351 10.953 -1.777 767 HG SER 94 HG SER 94 12.734 13.448 -2.111 768 H GLY 95 H GLY 95 10.382 11.035 -4.270 769 1HA GLY 95 1HA GLY 95 9.886 8.245 -3.955 770 2HA GLY 95 2HA GLY 95 9.801 9.187 -5.430 771 HA PRO 96 HA PRO 96 13.889 6.854 -4.976 772 1HB PRO 96 1HB PRO 96 13.346 4.186 -5.203 773 2HB PRO 96 2HB PRO 96 13.646 4.976 -3.667 774 1HG PRO 96 1HG PRO 96 11.079 4.052 -4.805 775 2HG PRO 96 2HG PRO 96 11.465 4.443 -3.141 776 1HD PRO 96 1HD PRO 96 9.991 6.069 -4.989 777 2HD PRO 96 2HD PRO 96 10.476 6.507 -3.363 778 H SER 97 H SER 97 13.435 8.237 -6.979 779 HA SER 97 HA SER 97 13.305 6.345 -9.196 780 1HB SER 97 1HB SER 97 11.852 8.789 -8.693 781 2HB SER 97 2HB SER 97 12.865 9.040 -10.101 782 HG SER 97 HG SER 97 10.629 8.064 -10.416 783 H SER 98 H SER 98 14.516 9.706 -8.455 784 HA SER 98 HA SER 98 16.882 9.015 -10.000 785 1HB SER 98 1HB SER 98 17.236 11.544 -10.022 786 2HB SER 98 2HB SER 98 15.835 10.968 -10.903 787 HG SER 98 HG SER 98 14.613 12.184 -9.648 788 H GLY 99 H GLY 99 18.462 8.208 -8.646 789 1HA GLY 99 1HA GLY 99 18.958 9.702 -6.140 790 2HA GLY 99 2HA GLY 99 19.029 7.954 -6.239 Start of MODEL 9 1 1H GLY 1 H GLY 1 -7.313 -9.714 15.699 2 1HA GLY 1 1HA GLY 1 -4.666 -10.891 15.617 3 2HA GLY 1 2HA GLY 1 -5.868 -11.036 16.883 4 H SER 2 H SER 2 -4.213 -13.137 15.473 5 HA SER 2 HA SER 2 -4.472 -15.210 14.880 6 1HB SER 2 1HB SER 2 -6.434 -15.135 16.526 7 2HB SER 2 2HB SER 2 -7.491 -14.897 15.149 8 HG SER 2 HG SER 2 -7.310 -16.972 14.603 9 H SER 3 H SER 3 -4.693 -16.383 12.891 10 HA SER 3 HA SER 3 -4.965 -16.651 10.756 11 1HB SER 3 1HB SER 3 -7.459 -14.984 11.258 12 2HB SER 3 2HB SER 3 -7.085 -15.627 9.671 13 HG SER 3 HG SER 3 -8.492 -16.933 11.274 14 H GLY 4 H GLY 4 -3.024 -15.544 10.158 15 1HA GLY 4 1HA GLY 4 -3.105 -12.679 9.711 16 2HA GLY 4 2HA GLY 4 -1.737 -13.758 9.524 17 H SER 5 H SER 5 -2.762 -11.662 7.658 18 HA SER 5 HA SER 5 -3.767 -13.289 5.489 19 1HB SER 5 1HB SER 5 -4.655 -10.921 6.203 20 2HB SER 5 2HB SER 5 -3.250 -10.304 5.357 21 HG SER 5 HG SER 5 -3.993 -11.495 3.439 22 H SER 6 H SER 6 -1.360 -10.564 5.741 23 HA SER 6 HA SER 6 0.606 -10.268 4.875 24 1HB SER 6 1HB SER 6 0.580 -13.209 5.345 25 2HB SER 6 2HB SER 6 1.796 -12.660 4.209 26 HG SER 6 HG SER 6 1.773 -10.962 6.353 27 H GLY 7 H GLY 7 1.572 -9.902 2.799 28 1HA GLY 7 1HA GLY 7 1.879 -10.477 0.526 29 2HA GLY 7 2HA GLY 7 0.342 -11.318 0.527 30 H LEU 8 H LEU 8 -1.687 -10.004 0.762 31 HA LEU 8 HA LEU 8 -1.734 -7.909 -1.035 32 1HB LEU 8 1HB LEU 8 -3.695 -8.512 1.183 33 2HB LEU 8 2HB LEU 8 -4.006 -7.530 -0.234 34 HG LEU 8 HG LEU 8 -4.983 -9.505 -0.854 35 1HD1 LEU 8 1HD1 LEU 8 -2.271 -10.350 -1.804 36 2HD1 LEU 8 2HD1 LEU 8 -3.827 -10.310 -2.668 37 3HD1 LEU 8 3HD1 LEU 8 -2.945 -8.796 -2.352 38 1HD2 LEU 8 1HD2 LEU 8 -3.486 -10.600 1.249 39 2HD2 LEU 8 2HD2 LEU 8 -4.763 -11.392 0.294 40 3HD2 LEU 8 3HD2 LEU 8 -3.058 -11.556 -0.191 41 H LYS 9 H LYS 9 -1.404 -7.922 2.549 42 HA LYS 9 HA LYS 9 -1.777 -5.330 3.154 43 1HB LYS 9 1HB LYS 9 -0.290 -7.565 4.254 44 2HB LYS 9 2HB LYS 9 0.545 -6.057 4.565 45 1HG LYS 9 1HG LYS 9 -1.754 -5.119 5.327 46 2HG LYS 9 2HG LYS 9 -2.321 -6.777 5.305 47 1HD LYS 9 1HD LYS 9 0.146 -6.874 6.704 48 2HD LYS 9 2HD LYS 9 -0.643 -5.424 7.290 49 1HE LYS 9 1HE LYS 9 -1.743 -6.857 8.700 50 2HE LYS 9 2HE LYS 9 -2.768 -7.167 7.313 51 1HZ LYS 9 1HZ LYS 9 -0.533 -8.764 8.294 52 2HZ LYS 9 2HZ LYS 9 -2.060 -9.237 7.960 53 3HZ LYS 9 3HZ LYS 9 -1.023 -8.906 6.743 54 H GLN 10 H GLN 10 1.368 -6.726 1.980 55 HA GLN 10 HA GLN 10 2.552 -4.206 1.769 56 1HB GLN 10 1HB GLN 10 4.110 -5.932 1.928 57 2HB GLN 10 2HB GLN 10 3.210 -6.998 0.866 58 1HG GLN 10 1HG GLN 10 4.146 -6.114 -1.054 59 2HG GLN 10 2HG GLN 10 4.199 -4.485 -0.411 60 1HE2 GLN 10 1HE2 GLN 10 6.042 -3.692 0.311 61 2HE2 GLN 10 2HE2 GLN 10 7.508 -4.573 0.588 62 H LYS 11 H LYS 11 1.532 -6.517 -0.860 63 HA LYS 11 HA LYS 11 1.884 -4.991 -3.020 64 1HB LYS 11 1HB LYS 11 -0.522 -6.746 -2.447 65 2HB LYS 11 2HB LYS 11 -0.028 -6.198 -4.036 66 1HG LYS 11 1HG LYS 11 1.667 -7.727 -4.171 67 2HG LYS 11 2HG LYS 11 2.200 -7.421 -2.530 68 1HD LYS 11 1HD LYS 11 1.309 -9.430 -1.963 69 2HD LYS 11 2HD LYS 11 -0.274 -8.708 -2.177 70 1HE LYS 11 1HE LYS 11 -0.600 -10.276 -3.800 71 2HE LYS 11 2HE LYS 11 0.443 -9.286 -4.802 72 1HZ LYS 11 1HZ LYS 11 1.375 -11.453 -3.049 73 2HZ LYS 11 2HZ LYS 11 1.195 -11.564 -4.668 74 3HZ LYS 11 3HZ LYS 11 2.316 -10.557 -4.038 75 H VAL 12 H VAL 12 -0.961 -4.796 -0.789 76 HA VAL 12 HA VAL 12 -2.213 -2.727 -2.222 77 HB VAL 12 HB VAL 12 -2.410 -3.643 0.652 78 1HG1 VAL 12 1HG1 VAL 12 -3.181 -1.279 0.308 79 2HG1 VAL 12 2HG1 VAL 12 -4.373 -1.892 -0.862 80 3HG1 VAL 12 3HG1 VAL 12 -4.459 -2.397 0.843 81 1HG2 VAL 12 1HG2 VAL 12 -3.532 -5.377 -0.186 82 2HG2 VAL 12 2HG2 VAL 12 -4.737 -4.249 -0.851 83 3HG2 VAL 12 3HG2 VAL 12 -3.340 -4.743 -1.838 84 H GLU 13 H GLU 13 0.023 -2.774 0.624 85 HA GLU 13 HA GLU 13 -0.035 -0.159 1.260 86 1HB GLU 13 1HB GLU 13 2.027 -2.322 1.409 87 2HB GLU 13 2HB GLU 13 2.614 -0.687 1.644 88 1HG GLU 13 1HG GLU 13 0.346 -0.642 3.213 89 2HG GLU 13 2HG GLU 13 0.813 -2.324 3.372 90 H ASN 14 H ASN 14 2.102 -1.730 -1.224 91 HA ASN 14 HA ASN 14 3.342 0.618 -1.989 92 1HB ASN 14 1HB ASN 14 2.977 -2.136 -3.127 93 2HB ASN 14 2HB ASN 14 3.415 -0.899 -4.289 94 1HD2 ASN 14 1HD2 ASN 14 4.423 -2.888 -1.696 95 2HD2 ASN 14 2HD2 ASN 14 6.080 -2.393 -1.590 96 H LEU 15 H LEU 15 0.463 -1.192 -3.264 97 HA LEU 15 HA LEU 15 -0.135 0.136 -5.510 98 1HB LEU 15 1HB LEU 15 -1.635 -1.485 -5.128 99 2HB LEU 15 2HB LEU 15 -1.674 -1.212 -3.397 100 HG LEU 15 HG LEU 15 -3.115 0.801 -3.799 101 1HD1 LEU 15 1HD1 LEU 15 -3.136 1.636 -5.865 102 2HD1 LEU 15 2HD1 LEU 15 -2.510 0.128 -6.575 103 3HD1 LEU 15 3HD1 LEU 15 -4.254 0.312 -6.272 104 1HD2 LEU 15 1HD2 LEU 15 -5.149 -0.613 -4.527 105 2HD2 LEU 15 2HD2 LEU 15 -4.002 -1.975 -4.553 106 3HD2 LEU 15 3HD2 LEU 15 -4.275 -1.069 -3.045 107 H PHE 16 H PHE 16 -1.455 1.178 -2.282 108 HA PHE 16 HA PHE 16 -2.465 3.573 -3.114 109 1HB PHE 16 1HB PHE 16 -1.035 2.781 -0.506 110 2HB PHE 16 2HB PHE 16 -2.089 4.173 -0.647 111 HD1 PHE 16 1HD PHE 16 -2.277 1.632 1.165 112 HD2 PHE 16 2HD PHE 16 -4.170 2.791 -2.452 113 HE1 PHE 16 1HE PHE 16 -4.253 0.193 1.738 114 HE2 PHE 16 2HE PHE 16 -6.146 1.352 -1.879 115 HZ PHE 16 HZ PHE 16 -6.163 0.070 0.209 116 H ASN 17 H ASN 17 0.745 3.113 -1.454 117 HA ASN 17 HA ASN 17 1.660 5.598 -1.581 118 1HB ASN 17 1HB ASN 17 3.075 2.940 -2.031 119 2HB ASN 17 2HB ASN 17 3.993 4.432 -2.063 120 1HD2 ASN 17 1HD2 ASN 17 4.616 5.348 -0.233 121 2HD2 ASN 17 2HD2 ASN 17 4.142 4.877 1.365 122 H GLU 18 H GLU 18 2.269 3.060 -4.139 123 HA GLU 18 HA GLU 18 3.518 4.611 -5.952 124 1HB GLU 18 1HB GLU 18 2.039 2.082 -5.962 125 2HB GLU 18 2HB GLU 18 1.864 2.916 -7.493 126 1HG GLU 18 1HG GLU 18 4.636 3.021 -6.490 127 2HG GLU 18 2HG GLU 18 4.071 1.374 -6.685 128 H LYS 19 H LYS 19 -0.060 3.921 -5.911 129 HA LYS 19 HA LYS 19 -0.867 5.466 -7.953 130 1HB LYS 19 1HB LYS 19 -2.146 4.979 -5.257 131 2HB LYS 19 2HB LYS 19 -2.967 5.851 -6.536 132 1HG LYS 19 1HG LYS 19 -1.877 3.003 -6.716 133 2HG LYS 19 2HG LYS 19 -3.566 3.455 -6.610 134 1HD LYS 19 1HD LYS 19 -2.639 4.961 -8.791 135 2HD LYS 19 2HD LYS 19 -1.775 3.446 -8.957 136 1HE LYS 19 1HE LYS 19 -4.049 2.262 -8.625 137 2HE LYS 19 2HE LYS 19 -4.795 3.838 -8.799 138 1HZ LYS 19 1HZ LYS 19 -4.371 3.854 -10.969 139 2HZ LYS 19 2HZ LYS 19 -2.879 3.207 -10.829 140 3HZ LYS 19 3HZ LYS 19 -4.193 2.237 -10.826 141 H CYS 20 H CYS 20 -0.287 6.631 -4.565 142 HA CYS 20 HA CYS 20 -0.953 9.226 -4.880 143 1HB CYS 20 1HB CYS 20 0.725 7.697 -3.066 144 2HB CYS 20 2HB CYS 20 1.391 9.297 -3.324 145 HG CYS 20 HG CYS 20 -0.072 10.423 -1.854 146 H GLY 21 H GLY 21 2.491 8.052 -5.084 147 1HA GLY 21 1HA GLY 21 3.630 10.245 -6.230 148 2HA GLY 21 2HA GLY 21 4.163 8.596 -6.494 149 H GLU 22 H GLU 22 1.638 7.701 -7.798 150 HA GLU 22 HA GLU 22 2.344 8.377 -10.406 151 1HB GLU 22 1HB GLU 22 0.806 6.412 -9.169 152 2HB GLU 22 2HB GLU 22 -0.400 7.334 -10.044 153 1HG GLU 22 1HG GLU 22 1.946 6.951 -11.731 154 2HG GLU 22 2HG GLU 22 1.418 5.403 -11.102 155 H ALA 23 H ALA 23 -0.328 9.440 -8.220 156 HA ALA 23 HA ALA 23 -1.727 10.952 -10.085 157 1HB ALA 23 1HB ALA 23 -2.596 12.119 -8.033 158 2HB ALA 23 2HB ALA 23 -2.662 10.343 -7.931 159 3HB ALA 23 3HB ALA 23 -1.383 11.236 -7.074 160 H LEU 24 H LEU 24 1.085 11.745 -7.970 161 HA LEU 24 HA LEU 24 1.127 14.477 -8.633 162 1HB LEU 24 1HB LEU 24 3.113 12.550 -7.460 163 2HB LEU 24 2HB LEU 24 3.562 14.204 -7.827 164 HG LEU 24 HG LEU 24 2.937 13.837 -5.457 165 1HD1 LEU 24 1HD1 LEU 24 1.090 15.727 -5.484 166 2HD1 LEU 24 2HD1 LEU 24 2.774 16.063 -5.952 167 3HD1 LEU 24 3HD1 LEU 24 1.535 15.815 -7.205 168 1HD2 LEU 24 1HD2 LEU 24 0.562 13.540 -4.860 169 2HD2 LEU 24 2HD2 LEU 24 0.176 13.284 -6.579 170 3HD2 LEU 24 3HD2 LEU 24 1.233 12.135 -5.723 171 H GLY 25 H GLY 25 2.103 11.556 -10.315 172 1HA GLY 25 1HA GLY 25 2.501 11.540 -12.611 173 2HA GLY 25 2HA GLY 25 3.016 13.214 -12.552 174 H LEU 26 H LEU 26 4.052 10.541 -10.355 175 HA LEU 26 HA LEU 26 6.769 10.929 -11.404 176 1HB LEU 26 1HB LEU 26 5.954 10.071 -8.626 177 2HB LEU 26 2HB LEU 26 7.584 10.356 -9.202 178 HG LEU 26 HG LEU 26 5.444 12.496 -9.058 179 1HD1 LEU 26 1HD1 LEU 26 7.527 12.918 -7.154 180 2HD1 LEU 26 2HD1 LEU 26 5.785 12.676 -6.877 181 3HD1 LEU 26 3HD1 LEU 26 6.881 11.275 -6.926 182 1HD2 LEU 26 1HD2 LEU 26 7.184 14.073 -9.461 183 2HD2 LEU 26 2HD2 LEU 26 8.440 12.818 -9.338 184 3HD2 LEU 26 3HD2 LEU 26 7.309 12.813 -10.712 185 H LYS 27 H LYS 27 8.178 8.863 -10.924 186 HA LYS 27 HA LYS 27 6.564 6.585 -11.828 187 1HB LYS 27 1HB LYS 27 9.273 7.605 -12.541 188 2HB LYS 27 2HB LYS 27 9.066 5.866 -12.492 189 1HG LYS 27 1HG LYS 27 6.756 6.779 -13.825 190 2HG LYS 27 2HG LYS 27 8.029 7.813 -14.442 191 1HD LYS 27 1HD LYS 27 8.343 6.055 -15.900 192 2HD LYS 27 2HD LYS 27 9.341 5.446 -14.595 193 1HE LYS 27 1HE LYS 27 7.912 3.719 -14.157 194 2HE LYS 27 2HE LYS 27 6.503 4.760 -14.200 195 1HZ LYS 27 1HZ LYS 27 6.081 3.793 -16.124 196 2HZ LYS 27 2HZ LYS 27 7.316 4.639 -16.776 197 3HZ LYS 27 3HZ LYS 27 7.562 3.115 -16.241 198 H GLN 28 H GLN 28 7.374 7.783 -9.008 199 HA GLN 28 HA GLN 28 8.261 5.191 -8.010 200 1HB GLN 28 1HB GLN 28 9.518 6.375 -6.222 201 2HB GLN 28 2HB GLN 28 10.125 6.774 -7.816 202 1HG GLN 28 1HG GLN 28 8.501 8.820 -7.720 203 2HG GLN 28 2HG GLN 28 8.372 8.478 -6.006 204 1HE2 GLN 28 1HE2 GLN 28 9.478 10.017 -5.037 205 2HE2 GLN 28 2HE2 GLN 28 11.126 10.456 -5.339 206 H ALA 29 H ALA 29 7.879 5.372 -5.345 207 HA ALA 29 HA ALA 29 5.013 5.874 -5.175 208 1HB ALA 29 1HB ALA 29 5.065 3.936 -4.044 209 2HB ALA 29 2HB ALA 29 6.837 3.882 -4.195 210 3HB ALA 29 3HB ALA 29 6.087 4.696 -2.801 211 H VAL 30 H VAL 30 4.141 6.953 -3.212 212 HA VAL 30 HA VAL 30 6.052 8.666 -1.843 213 HB VAL 30 HB VAL 30 3.612 9.776 -3.236 214 1HG1 VAL 30 1HG1 VAL 30 3.959 11.412 -1.730 215 2HG1 VAL 30 2HG1 VAL 30 5.591 10.829 -1.326 216 3HG1 VAL 30 3HG1 VAL 30 5.342 11.856 -2.758 217 1HG2 VAL 30 1HG2 VAL 30 5.110 10.767 -4.881 218 2HG2 VAL 30 2HG2 VAL 30 6.516 10.007 -4.097 219 3HG2 VAL 30 3HG2 VAL 30 5.283 8.996 -4.889 220 H LYS 31 H LYS 31 5.651 8.477 0.295 221 HA LYS 31 HA LYS 31 3.730 6.988 1.424 222 1HB LYS 31 1HB LYS 31 5.768 8.570 2.328 223 2HB LYS 31 2HB LYS 31 4.378 9.433 2.955 224 1HG LYS 31 1HG LYS 31 4.535 6.421 3.270 225 2HG LYS 31 2HG LYS 31 5.445 7.453 4.356 226 1HD LYS 31 1HD LYS 31 3.362 8.650 5.000 227 2HD LYS 31 2HD LYS 31 2.436 7.681 3.871 228 1HE LYS 31 1HE LYS 31 2.464 5.810 5.231 229 2HE LYS 31 2HE LYS 31 4.087 6.121 5.814 230 1HZ LYS 31 1HZ LYS 31 3.265 7.162 7.558 231 2HZ LYS 31 2HZ LYS 31 2.295 8.125 6.664 232 3HZ LYS 31 3HZ LYS 31 1.774 6.649 7.131 233 H VAL 32 H VAL 32 1.552 7.004 1.562 234 HA VAL 32 HA VAL 32 0.102 9.153 0.421 235 HB VAL 32 HB VAL 32 -0.712 6.695 1.980 236 1HG1 VAL 32 1HG1 VAL 32 -2.309 8.843 1.803 237 2HG1 VAL 32 2HG1 VAL 32 -2.662 8.108 0.221 238 3HG1 VAL 32 3HG1 VAL 32 -2.926 7.176 1.714 239 1HG2 VAL 32 1HG2 VAL 32 0.379 6.846 -0.525 240 2HG2 VAL 32 2HG2 VAL 32 -0.711 5.555 0.035 241 3HG2 VAL 32 3HG2 VAL 32 -1.361 6.930 -0.890 242 HA PRO 33 HA PRO 33 0.011 11.480 4.130 243 1HB PRO 33 1HB PRO 33 -1.062 13.756 3.063 244 2HB PRO 33 2HB PRO 33 0.657 13.413 3.059 245 1HG PRO 33 1HG PRO 33 -1.268 13.265 0.820 246 2HG PRO 33 2HG PRO 33 0.482 13.345 0.760 247 1HD PRO 33 1HD PRO 33 -1.144 11.018 0.353 248 2HD PRO 33 2HD PRO 33 0.606 11.077 0.408 249 H PHE 34 H PHE 34 -1.723 9.507 4.226 250 HA PHE 34 HA PHE 34 -4.315 9.800 3.918 251 1HB PHE 34 1HB PHE 34 -2.635 8.933 6.323 252 2HB PHE 34 2HB PHE 34 -4.380 8.795 6.403 253 HD1 PHE 34 1HD PHE 34 -1.337 7.489 4.866 254 HD2 PHE 34 2HD PHE 34 -5.567 7.179 5.013 255 HE1 PHE 34 1HE PHE 34 -1.216 5.273 3.693 256 HE2 PHE 34 2HE PHE 34 -5.446 4.964 3.841 257 HZ PHE 34 HZ PHE 34 -3.272 4.037 3.195 258 H ALA 35 H ALA 35 -2.357 11.635 6.296 259 HA ALA 35 HA ALA 35 -4.419 12.681 7.816 260 1HB ALA 35 1HB ALA 35 -2.136 14.479 7.208 261 2HB ALA 35 2HB ALA 35 -2.736 13.877 8.773 262 3HB ALA 35 3HB ALA 35 -1.688 12.849 7.766 263 H LEU 36 H LEU 36 -2.765 14.138 4.919 264 HA LEU 36 HA LEU 36 -4.294 16.382 4.700 265 1HB LEU 36 1HB LEU 36 -2.968 14.639 2.636 266 2HB LEU 36 2HB LEU 36 -3.799 16.118 2.199 267 HG LEU 36 HG LEU 36 -1.455 15.923 4.111 268 1HD1 LEU 36 1HD1 LEU 36 -0.045 16.663 2.417 269 2HD1 LEU 36 2HD1 LEU 36 -1.090 15.483 1.590 270 3HD1 LEU 36 3HD1 LEU 36 -1.392 17.227 1.399 271 1HD2 LEU 36 1HD2 LEU 36 -1.982 17.954 4.820 272 2HD2 LEU 36 2HD2 LEU 36 -1.855 18.567 3.154 273 3HD2 LEU 36 3HD2 LEU 36 -3.417 17.972 3.766 274 H PHE 37 H PHE 37 -5.075 13.020 3.734 275 HA PHE 37 HA PHE 37 -7.492 13.812 2.431 276 1HB PHE 37 1HB PHE 37 -6.279 11.176 3.450 277 2HB PHE 37 2HB PHE 37 -7.783 11.226 2.551 278 HD1 PHE 37 1HD PHE 37 -7.775 11.281 0.203 279 HD2 PHE 37 2HD PHE 37 -4.175 12.050 2.313 280 HE1 PHE 37 1HE PHE 37 -6.491 11.183 -1.952 281 HE2 PHE 37 2HE PHE 37 -2.890 11.952 0.159 282 HZ PHE 37 HZ PHE 37 -4.064 11.520 -1.948 283 H GLU 38 H GLU 38 -6.479 12.908 5.703 284 HA GLU 38 HA GLU 38 -9.065 12.188 6.563 285 1HB GLU 38 1HB GLU 38 -6.480 12.888 8.000 286 2HB GLU 38 2HB GLU 38 -7.950 12.538 8.888 287 1HG GLU 38 1HG GLU 38 -7.047 10.611 6.734 288 2HG GLU 38 2HG GLU 38 -6.234 10.589 8.286 289 H SER 39 H SER 39 -7.104 15.197 6.544 290 HA SER 39 HA SER 39 -9.168 16.573 7.993 291 1HB SER 39 1HB SER 39 -6.364 17.148 7.129 292 2HB SER 39 2HB SER 39 -7.425 18.539 7.234 293 HG SER 39 HG SER 39 -7.917 17.153 9.455 294 H PHE 40 H PHE 40 -7.854 16.224 4.686 295 HA PHE 40 HA PHE 40 -10.090 17.873 3.745 296 1HB PHE 40 1HB PHE 40 -7.299 17.600 2.490 297 2HB PHE 40 2HB PHE 40 -8.535 18.754 2.029 298 HD1 PHE 40 1HD PHE 40 -9.368 20.183 4.240 299 HD2 PHE 40 2HD PHE 40 -5.517 18.518 3.606 300 HE1 PHE 40 1HE PHE 40 -8.379 21.871 5.813 301 HE2 PHE 40 2HE PHE 40 -4.528 20.205 5.178 302 HZ PHE 40 HZ PHE 40 -5.971 21.862 6.263 303 HA PRO 41 HA PRO 41 -10.179 13.770 1.813 304 1HB PRO 41 1HB PRO 41 -12.764 13.126 2.426 305 2HB PRO 41 2HB PRO 41 -11.395 12.629 3.400 306 1HG PRO 41 1HG PRO 41 -13.386 14.746 3.944 307 2HG PRO 41 2HG PRO 41 -12.293 13.954 5.061 308 1HD PRO 41 1HD PRO 41 -12.004 16.582 3.951 309 2HD PRO 41 2HD PRO 41 -10.855 15.745 4.976 310 H GLU 42 H GLU 42 -12.522 16.358 1.768 311 HA GLU 42 HA GLU 42 -13.732 15.612 -0.598 312 1HB GLU 42 1HB GLU 42 -13.530 18.079 1.060 313 2HB GLU 42 2HB GLU 42 -13.940 18.356 -0.622 314 1HG GLU 42 1HG GLU 42 -15.634 16.299 -0.153 315 2HG GLU 42 2HG GLU 42 -15.488 16.876 1.495 316 H ASP 43 H ASP 43 -10.709 17.390 0.091 317 HA ASP 43 HA ASP 43 -10.409 18.174 -2.629 318 1HB ASP 43 1HB ASP 43 -8.364 18.146 -0.360 319 2HB ASP 43 2HB ASP 43 -8.197 19.012 -1.874 320 H PHE 44 H PHE 44 -8.862 15.860 -0.286 321 HA PHE 44 HA PHE 44 -7.655 14.493 -2.584 322 1HB PHE 44 1HB PHE 44 -6.991 14.340 0.413 323 2HB PHE 44 2HB PHE 44 -6.002 13.717 -0.892 324 HD1 PHE 44 1HD PHE 44 -5.419 15.642 -2.723 325 HD2 PHE 44 2HD PHE 44 -6.265 16.291 1.384 326 HE1 PHE 44 1HE PHE 44 -4.161 17.812 -2.807 327 HE2 PHE 44 2HE PHE 44 -5.007 18.462 1.300 328 HZ PHE 44 HZ PHE 44 -3.970 19.196 -0.794 329 H TYR 45 H TYR 45 -8.287 12.426 -3.051 330 HA TYR 45 HA TYR 45 -9.176 10.627 -1.064 331 1HB TYR 45 1HB TYR 45 -11.564 10.550 -1.944 332 2HB TYR 45 2HB TYR 45 -11.197 12.094 -1.202 333 HD1 TYR 45 1HD TYR 45 -12.389 10.455 -4.143 334 HD2 TYR 45 2HD TYR 45 -10.461 14.023 -2.780 335 HE1 TYR 45 1HE TYR 45 -13.082 11.653 -6.276 336 HE2 TYR 45 2HE TYR 45 -11.160 15.209 -4.918 337 HH TYR 45 HH TYR 45 -12.808 15.045 -6.608 338 H VAL 46 H VAL 46 -9.647 8.492 -1.960 339 HA VAL 46 HA VAL 46 -8.562 8.254 -4.673 340 HB VAL 46 HB VAL 46 -8.689 6.304 -2.365 341 1HG1 VAL 46 1HG1 VAL 46 -8.781 5.575 -4.981 342 2HG1 VAL 46 2HG1 VAL 46 -7.022 5.680 -4.735 343 3HG1 VAL 46 3HG1 VAL 46 -8.003 4.611 -3.703 344 1HG2 VAL 46 1HG2 VAL 46 -6.094 6.511 -2.794 345 2HG2 VAL 46 2HG2 VAL 46 -6.551 8.083 -3.492 346 3HG2 VAL 46 3HG2 VAL 46 -6.952 7.712 -1.798 347 H GLU 47 H GLU 47 -9.865 7.570 -6.305 348 HA GLU 47 HA GLU 47 -12.493 6.619 -5.481 349 1HB GLU 47 1HB GLU 47 -11.654 7.876 -8.131 350 2HB GLU 47 2HB GLU 47 -13.286 7.414 -7.691 351 1HG GLU 47 1HG GLU 47 -12.077 9.131 -5.634 352 2HG GLU 47 2HG GLU 47 -12.047 9.907 -7.205 353 H GLY 48 H GLY 48 -13.538 5.019 -7.090 354 1HA GLY 48 1HA GLY 48 -13.300 3.320 -8.677 355 2HA GLY 48 2HA GLY 48 -11.560 3.345 -8.467 356 H LEU 49 H LEU 49 -11.920 3.502 -5.412 357 HA LEU 49 HA LEU 49 -11.442 0.952 -4.737 358 1HB LEU 49 1HB LEU 49 -12.889 3.091 -3.179 359 2HB LEU 49 2HB LEU 49 -12.373 1.572 -2.474 360 HG LEU 49 HG LEU 49 -10.412 3.401 -3.859 361 1HD1 LEU 49 1HD1 LEU 49 -11.903 4.098 -1.568 362 2HD1 LEU 49 2HD1 LEU 49 -10.277 3.651 -0.996 363 3HD1 LEU 49 3HD1 LEU 49 -10.468 4.912 -2.238 364 1HD2 LEU 49 1HD2 LEU 49 -9.449 1.915 -1.569 365 2HD2 LEU 49 2HD2 LEU 49 -10.207 0.833 -2.762 366 3HD2 LEU 49 3HD2 LEU 49 -8.879 1.912 -3.255 367 HA PRO 50 HA PRO 50 -15.094 -1.302 -5.181 368 1HB PRO 50 1HB PRO 50 -14.708 -3.343 -3.405 369 2HB PRO 50 2HB PRO 50 -13.972 -3.304 -4.995 370 1HG PRO 50 1HG PRO 50 -12.727 -2.795 -2.362 371 2HG PRO 50 2HG PRO 50 -11.953 -3.177 -3.887 372 1HD PRO 50 1HD PRO 50 -12.114 -0.597 -2.644 373 2HD PRO 50 2HD PRO 50 -11.443 -0.960 -4.221 374 H GLU 51 H GLU 51 -17.198 -1.775 -4.419 375 HA GLU 51 HA GLU 51 -18.087 0.089 -2.637 376 1HB GLU 51 1HB GLU 51 -19.179 -2.095 -4.156 377 2HB GLU 51 2HB GLU 51 -19.824 -2.213 -2.531 378 1HG GLU 51 1HG GLU 51 -21.334 -0.639 -3.199 379 2HG GLU 51 2HG GLU 51 -20.028 0.512 -2.996 380 H GLY 52 H GLY 52 -18.564 0.117 -0.401 381 1HA GLY 52 1HA GLY 52 -18.447 -0.490 1.763 382 2HA GLY 52 2HA GLY 52 -18.413 -2.168 1.258 383 H VAL 53 H VAL 53 -15.960 -0.323 -0.316 384 HA VAL 53 HA VAL 53 -14.017 -1.056 1.759 385 HB VAL 53 HB VAL 53 -13.684 -1.403 -1.227 386 1HG1 VAL 53 1HG1 VAL 53 -11.847 -1.567 1.096 387 2HG1 VAL 53 2HG1 VAL 53 -11.727 -2.894 -0.084 388 3HG1 VAL 53 3HG1 VAL 53 -11.511 -1.208 -0.615 389 1HG2 VAL 53 1HG2 VAL 53 -14.427 -3.517 -1.089 390 2HG2 VAL 53 2HG2 VAL 53 -13.574 -3.811 0.445 391 3HG2 VAL 53 3HG2 VAL 53 -15.170 -3.022 0.451 392 HA PRO 54 HA PRO 54 -13.462 3.269 0.881 393 1HB PRO 54 1HB PRO 54 -12.720 4.002 3.407 394 2HB PRO 54 2HB PRO 54 -14.383 4.016 2.855 395 1HG PRO 54 1HG PRO 54 -13.043 2.087 4.650 396 2HG PRO 54 2HG PRO 54 -14.758 2.370 4.426 397 1HD PRO 54 1HD PRO 54 -13.228 0.182 3.377 398 2HD PRO 54 2HD PRO 54 -14.916 0.528 3.059 399 H PHE 55 H PHE 55 -11.526 4.854 1.656 400 HA PHE 55 HA PHE 55 -9.226 3.380 0.690 401 1HB PHE 55 1HB PHE 55 -9.930 5.630 -0.227 402 2HB PHE 55 2HB PHE 55 -9.799 6.326 1.376 403 HD1 PHE 55 1HD PHE 55 -7.414 3.956 -0.192 404 HD2 PHE 55 2HD PHE 55 -8.147 7.957 1.020 405 HE1 PHE 55 1HE PHE 55 -5.012 4.531 -0.637 406 HE2 PHE 55 2HE PHE 55 -5.744 8.531 0.575 407 HZ PHE 55 HZ PHE 55 -4.205 6.812 -0.248 408 H ARG 56 H ARG 56 -10.131 2.674 3.354 409 HA ARG 56 HA ARG 56 -8.681 4.111 5.256 410 1HB ARG 56 1HB ARG 56 -10.234 1.558 5.142 411 2HB ARG 56 2HB ARG 56 -9.012 1.613 6.397 412 1HG ARG 56 1HG ARG 56 -10.775 4.034 6.095 413 2HG ARG 56 2HG ARG 56 -11.512 2.590 6.760 414 1HD ARG 56 1HD ARG 56 -9.016 2.806 8.097 415 2HD ARG 56 2HD ARG 56 -9.625 4.447 8.021 416 HE ARG 56 HE ARG 56 -10.649 2.357 9.693 417 1HH1 ARG 56 2HH2 ARG 56 -11.782 5.000 7.665 418 2HH1 ARG 56 1HH2 ARG 56 -13.246 5.229 8.561 419 1HH2 ARG 56 2HH1 ARG 56 -12.581 2.659 10.876 420 2HH2 ARG 56 1HH1 ARG 56 -13.704 3.889 10.400 421 H ARG 57 H ARG 57 -7.140 2.474 6.786 422 HA ARG 57 HA ARG 57 -4.821 2.253 5.278 423 1HB ARG 57 1HB ARG 57 -5.532 1.106 8.025 424 2HB ARG 57 2HB ARG 57 -3.905 1.134 7.374 425 1HG ARG 57 1HG ARG 57 -3.629 3.346 7.858 426 2HG ARG 57 2HG ARG 57 -5.189 3.776 7.185 427 1HD ARG 57 1HD ARG 57 -6.328 3.062 9.266 428 2HD ARG 57 2HD ARG 57 -4.810 2.501 9.937 429 HE ARG 57 HE ARG 57 -5.736 5.250 9.835 430 1HH1 ARG 57 2HH2 ARG 57 -2.834 3.261 9.785 431 2HH1 ARG 57 1HH2 ARG 57 -1.812 4.511 10.411 432 1HH2 ARG 57 2HH1 ARG 57 -4.388 6.900 10.660 433 2HH2 ARG 57 1HH1 ARG 57 -2.701 6.595 10.912 434 HA PRO 58 HA PRO 58 -5.129 -1.852 3.836 435 1HB PRO 58 1HB PRO 58 -2.502 -2.497 3.446 436 2HB PRO 58 2HB PRO 58 -3.430 -1.533 2.314 437 1HG PRO 58 1HG PRO 58 -1.362 -0.655 4.236 438 2HG PRO 58 2HG PRO 58 -1.984 0.188 2.832 439 1HD PRO 58 1HD PRO 58 -2.636 0.711 5.576 440 2HD PRO 58 2HD PRO 58 -3.344 1.475 4.167 441 H SER 59 H SER 59 -2.633 -1.496 6.302 442 HA SER 59 HA SER 59 -2.843 -4.198 7.040 443 1HB SER 59 1HB SER 59 -1.722 -1.827 8.601 444 2HB SER 59 2HB SER 59 -1.440 -3.513 8.984 445 HG SER 59 HG SER 59 0.012 -1.996 7.361 446 H THR 60 H THR 60 -5.408 -3.828 7.022 447 HA THR 60 HA THR 60 -6.225 -3.983 9.744 448 HB THR 60 HB THR 60 -6.286 -1.386 8.397 449 HG1 THR 60 1HG THR 60 -6.934 -0.931 10.673 450 1HG2 THR 60 1HG2 THR 60 -8.614 -0.790 9.031 451 2HG2 THR 60 2HG2 THR 60 -8.634 -2.058 7.782 452 3HG2 THR 60 3HG2 THR 60 -8.934 -2.482 9.484 453 H PHE 61 H PHE 61 -7.274 -3.426 6.329 454 HA PHE 61 HA PHE 61 -9.764 -4.522 6.500 455 1HB PHE 61 1HB PHE 61 -7.569 -4.724 4.352 456 2HB PHE 61 2HB PHE 61 -9.245 -5.127 4.034 457 HD1 PHE 61 1HD PHE 61 -7.000 -2.737 3.348 458 HD2 PHE 61 2HD PHE 61 -10.816 -3.057 5.177 459 HE1 PHE 61 1HE PHE 61 -7.471 -0.337 2.787 460 HE2 PHE 61 2HE PHE 61 -11.286 -0.657 4.616 461 HZ PHE 61 HZ PHE 61 -9.608 0.675 3.428 462 H GLY 62 H GLY 62 -10.548 -6.675 5.613 463 1HA GLY 62 1HA GLY 62 -9.379 -8.792 7.094 464 2HA GLY 62 2HA GLY 62 -10.697 -8.898 5.945 465 H ILE 63 H ILE 63 -9.210 -11.034 5.734 466 HA ILE 63 HA ILE 63 -6.849 -10.734 4.203 467 HB ILE 63 HB ILE 63 -8.629 -13.031 4.955 468 1HG1 ILE 63 1HG1 ILE 63 -5.709 -12.818 5.575 469 2HG1 ILE 63 2HG1 ILE 63 -6.817 -11.776 6.444 470 1HG2 ILE 63 1HG2 ILE 63 -7.868 -13.540 2.708 471 2HG2 ILE 63 2HG2 ILE 63 -6.190 -13.157 3.162 472 3HG2 ILE 63 3HG2 ILE 63 -7.012 -14.556 3.893 473 1HD1 ILE 63 1HD1 ILE 63 -7.244 -14.784 6.196 474 2HD1 ILE 63 2HD1 ILE 63 -6.360 -14.031 7.545 475 3HD1 ILE 63 3HD1 ILE 63 -8.081 -13.657 7.290 476 HA PRO 64 HA PRO 64 -9.869 -11.651 0.672 477 1HB PRO 64 1HB PRO 64 -12.549 -11.301 1.081 478 2HB PRO 64 2HB PRO 64 -11.759 -12.862 1.183 479 1HG PRO 64 1HG PRO 64 -12.735 -11.132 3.373 480 2HG PRO 64 2HG PRO 64 -12.343 -12.840 3.415 481 1HD PRO 64 1HD PRO 64 -10.743 -10.687 4.430 482 2HD PRO 64 2HD PRO 64 -10.301 -12.381 4.366 483 H ARG 65 H ARG 65 -11.362 -9.176 2.707 484 HA ARG 65 HA ARG 65 -12.069 -7.457 0.796 485 1HB ARG 65 1HB ARG 65 -11.298 -7.275 3.636 486 2HB ARG 65 2HB ARG 65 -10.945 -5.786 2.782 487 1HG ARG 65 1HG ARG 65 -13.361 -5.980 1.811 488 2HG ARG 65 2HG ARG 65 -13.632 -7.190 3.049 489 1HD ARG 65 1HD ARG 65 -12.342 -4.794 4.168 490 2HD ARG 65 2HD ARG 65 -13.844 -4.389 3.360 491 HE ARG 65 HE ARG 65 -14.157 -6.738 5.041 492 1HH1 ARG 65 2HH2 ARG 65 -13.999 -3.223 5.120 493 2HH1 ARG 65 1HH2 ARG 65 -14.922 -3.087 6.580 494 1HH2 ARG 65 2HH1 ARG 65 -15.374 -6.559 6.966 495 2HH2 ARG 65 1HH1 ARG 65 -15.709 -4.998 7.637 496 H LEU 66 H LEU 66 -8.774 -8.012 2.132 497 HA LEU 66 HA LEU 66 -7.497 -5.830 1.005 498 1HB LEU 66 1HB LEU 66 -6.704 -8.513 2.007 499 2HB LEU 66 2HB LEU 66 -5.543 -7.656 1.013 500 HG LEU 66 HG LEU 66 -6.824 -6.313 3.387 501 1HD1 LEU 66 1HD1 LEU 66 -4.452 -7.066 4.415 502 2HD1 LEU 66 2HD1 LEU 66 -5.963 -7.978 4.647 503 3HD1 LEU 66 3HD1 LEU 66 -4.803 -8.482 3.395 504 1HD2 LEU 66 1HD2 LEU 66 -4.325 -5.871 1.754 505 2HD2 LEU 66 2HD2 LEU 66 -5.689 -4.763 2.037 506 3HD2 LEU 66 3HD2 LEU 66 -4.558 -5.137 3.359 507 H GLU 67 H GLU 67 -7.747 -9.217 -0.299 508 HA GLU 67 HA GLU 67 -6.510 -8.756 -2.659 509 1HB GLU 67 1HB GLU 67 -8.470 -10.716 -1.614 510 2HB GLU 67 2HB GLU 67 -8.512 -10.554 -3.359 511 1HG GLU 67 1HG GLU 67 -5.755 -10.655 -2.288 512 2HG GLU 67 2HG GLU 67 -6.683 -12.090 -1.903 513 H LYS 68 H LYS 68 -9.952 -8.147 -1.773 514 HA LYS 68 HA LYS 68 -10.999 -7.593 -4.224 515 1HB LYS 68 1HB LYS 68 -11.588 -6.081 -1.664 516 2HB LYS 68 2HB LYS 68 -12.646 -6.250 -3.050 517 1HG LYS 68 1HG LYS 68 -12.231 -8.874 -2.604 518 2HG LYS 68 2HG LYS 68 -11.879 -8.308 -0.983 519 1HD LYS 68 1HD LYS 68 -14.123 -8.340 -0.618 520 2HD LYS 68 2HD LYS 68 -14.209 -6.902 -1.617 521 1HE LYS 68 1HE LYS 68 -14.610 -8.258 -3.633 522 2HE LYS 68 2HE LYS 68 -14.349 -9.741 -2.737 523 1HZ LYS 68 1HZ LYS 68 -16.238 -8.845 -1.284 524 2HZ LYS 68 2HZ LYS 68 -16.592 -7.893 -2.563 525 3HZ LYS 68 3HZ LYS 68 -16.607 -9.518 -2.725 526 H ILE 69 H ILE 69 -9.555 -5.120 -1.978 527 HA ILE 69 HA ILE 69 -9.626 -2.985 -3.630 528 HB ILE 69 HB ILE 69 -7.653 -3.865 -1.548 529 1HG1 ILE 69 1HG1 ILE 69 -9.178 -1.389 -1.180 530 2HG1 ILE 69 2HG1 ILE 69 -10.205 -2.789 -1.421 531 1HG2 ILE 69 1HG2 ILE 69 -6.894 -1.390 -1.651 532 2HG2 ILE 69 2HG2 ILE 69 -6.208 -2.557 -2.807 533 3HG2 ILE 69 3HG2 ILE 69 -7.497 -1.444 -3.325 534 1HD1 ILE 69 1HD1 ILE 69 -8.587 -3.957 0.317 535 2HD1 ILE 69 2HD1 ILE 69 -8.170 -2.283 0.758 536 3HD1 ILE 69 3HD1 ILE 69 -9.852 -2.847 0.899 537 H LEU 70 H LEU 70 -6.943 -5.429 -3.458 538 HA LEU 70 HA LEU 70 -5.379 -4.367 -5.444 539 1HB LEU 70 1HB LEU 70 -5.830 -7.161 -4.441 540 2HB LEU 70 2HB LEU 70 -4.728 -6.853 -5.768 541 HG LEU 70 HG LEU 70 -4.096 -5.019 -3.667 542 1HD1 LEU 70 1HD1 LEU 70 -5.034 -6.287 -1.969 543 2HD1 LEU 70 2HD1 LEU 70 -4.642 -7.833 -2.760 544 3HD1 LEU 70 3HD1 LEU 70 -3.351 -6.866 -2.005 545 1HD2 LEU 70 1HD2 LEU 70 -1.959 -5.683 -4.084 546 2HD2 LEU 70 2HD2 LEU 70 -2.394 -7.404 -4.216 547 3HD2 LEU 70 3HD2 LEU 70 -2.736 -6.293 -5.565 548 H ARG 71 H ARG 71 -7.914 -6.951 -5.804 549 HA ARG 71 HA ARG 71 -7.791 -7.327 -8.423 550 1HB ARG 71 1HB ARG 71 -10.143 -7.191 -6.517 551 2HB ARG 71 2HB ARG 71 -10.458 -7.466 -8.219 552 1HG ARG 71 1HG ARG 71 -8.867 -9.418 -8.176 553 2HG ARG 71 2HG ARG 71 -8.615 -9.156 -6.462 554 1HD ARG 71 1HD ARG 71 -11.286 -9.301 -6.360 555 2HD ARG 71 2HD ARG 71 -11.096 -10.148 -7.882 556 HE ARG 71 HE ARG 71 -9.224 -11.289 -6.089 557 1HH1 ARG 71 2HH2 ARG 71 -12.718 -10.992 -6.378 558 2HH1 ARG 71 1HH2 ARG 71 -13.042 -12.465 -5.527 559 1HH2 ARG 71 2HH1 ARG 71 -9.651 -13.233 -4.966 560 2HH2 ARG 71 1HH1 ARG 71 -11.286 -13.748 -4.718 561 H ASN 72 H ASN 72 -8.886 -4.409 -6.754 562 HA ASN 72 HA ASN 72 -9.680 -3.316 -9.338 563 1HB ASN 72 1HB ASN 72 -10.518 -2.521 -6.501 564 2HB ASN 72 2HB ASN 72 -10.946 -1.594 -7.926 565 1HD2 ASN 72 1HD2 ASN 72 -12.940 -2.465 -6.419 566 2HD2 ASN 72 2HD2 ASN 72 -13.809 -3.774 -7.148 567 H LYS 73 H LYS 73 -6.952 -3.427 -8.827 568 HA LYS 73 HA LYS 73 -6.222 -0.892 -7.584 569 1HB LYS 73 1HB LYS 73 -4.006 -1.751 -7.461 570 2HB LYS 73 2HB LYS 73 -5.084 -3.021 -6.917 571 1HG LYS 73 1HG LYS 73 -4.631 -4.378 -8.727 572 2HG LYS 73 2HG LYS 73 -4.529 -3.035 -9.848 573 1HD LYS 73 1HD LYS 73 -2.277 -2.452 -9.010 574 2HD LYS 73 2HD LYS 73 -2.380 -3.694 -7.778 575 1HE LYS 73 1HE LYS 73 -1.337 -5.035 -9.307 576 2HE LYS 73 2HE LYS 73 -2.917 -5.171 -10.054 577 1HZ LYS 73 1HZ LYS 73 -1.698 -2.797 -10.880 578 2HZ LYS 73 2HZ LYS 73 -0.660 -4.034 -11.127 579 3HZ LYS 73 3HZ LYS 73 -2.154 -4.077 -11.786 580 H ALA 74 H ALA 74 -7.345 -1.885 -10.516 581 HA ALA 74 HA ALA 74 -5.429 -0.285 -12.044 582 1HB ALA 74 1HB ALA 74 -7.536 -1.534 -13.599 583 2HB ALA 74 2HB ALA 74 -5.777 -1.800 -13.666 584 3HB ALA 74 3HB ALA 74 -6.775 -2.728 -12.521 585 H LYS 75 H LYS 75 -8.900 -0.607 -11.136 586 HA LYS 75 HA LYS 75 -9.646 1.698 -12.648 587 1HB LYS 75 1HB LYS 75 -11.840 1.356 -11.629 588 2HB LYS 75 2HB LYS 75 -11.207 -0.138 -12.290 589 1HG LYS 75 1HG LYS 75 -10.222 -0.322 -9.745 590 2HG LYS 75 2HG LYS 75 -11.655 0.636 -9.430 591 1HD LYS 75 1HD LYS 75 -12.236 -1.580 -11.273 592 2HD LYS 75 2HD LYS 75 -11.542 -2.165 -9.774 593 1HE LYS 75 1HE LYS 75 -13.345 -1.456 -8.490 594 2HE LYS 75 2HE LYS 75 -13.662 -0.061 -9.502 595 1HZ LYS 75 1HZ LYS 75 -14.112 -2.736 -10.568 596 2HZ LYS 75 2HZ LYS 75 -15.229 -2.061 -9.586 597 3HZ LYS 75 3HZ LYS 75 -14.825 -1.328 -10.989 598 H ILE 76 H ILE 76 -8.707 0.951 -9.273 599 HA ILE 76 HA ILE 76 -9.524 3.158 -7.956 600 HB ILE 76 HB ILE 76 -7.158 1.371 -7.771 601 1HG1 ILE 76 1HG1 ILE 76 -9.220 2.149 -5.696 602 2HG1 ILE 76 2HG1 ILE 76 -9.480 0.876 -6.872 603 1HG2 ILE 76 1HG2 ILE 76 -7.352 4.065 -6.451 604 2HG2 ILE 76 2HG2 ILE 76 -6.558 2.703 -5.624 605 3HG2 ILE 76 3HG2 ILE 76 -5.950 3.264 -7.200 606 1HD1 ILE 76 1HD1 ILE 76 -7.081 0.045 -5.997 607 2HD1 ILE 76 2HD1 ILE 76 -7.567 0.963 -4.552 608 3HD1 ILE 76 3HD1 ILE 76 -8.580 -0.379 -5.137 609 H LYS 77 H LYS 77 -8.797 5.298 -7.614 610 HA LYS 77 HA LYS 77 -6.569 6.233 -9.192 611 1HB LYS 77 1HB LYS 77 -8.844 6.225 -10.562 612 2HB LYS 77 2HB LYS 77 -9.144 7.692 -9.652 613 1HG LYS 77 1HG LYS 77 -7.256 8.807 -10.563 614 2HG LYS 77 2HG LYS 77 -6.466 7.311 -11.019 615 1HD LYS 77 1HD LYS 77 -7.804 7.016 -12.933 616 2HD LYS 77 2HD LYS 77 -9.131 7.959 -12.285 617 1HE LYS 77 1HE LYS 77 -7.995 10.044 -12.690 618 2HE LYS 77 2HE LYS 77 -6.451 9.251 -12.932 619 1HZ LYS 77 1HZ LYS 77 -8.595 8.453 -14.691 620 2HZ LYS 77 2HZ LYS 77 -7.997 9.956 -14.912 621 3HZ LYS 77 3HZ LYS 77 -7.007 8.661 -15.012 622 H PHE 78 H PHE 78 -5.879 8.398 -8.533 623 HA PHE 78 HA PHE 78 -6.946 9.053 -5.878 624 1HB PHE 78 1HB PHE 78 -4.203 9.077 -7.220 625 2HB PHE 78 2HB PHE 78 -4.488 10.166 -5.877 626 HD1 PHE 78 1HD PHE 78 -3.406 9.365 -4.009 627 HD2 PHE 78 2HD PHE 78 -5.482 6.613 -6.484 628 HE1 PHE 78 1HE PHE 78 -2.876 7.516 -2.397 629 HE2 PHE 78 2HE PHE 78 -4.952 4.764 -4.872 630 HZ PHE 78 HZ PHE 78 -3.655 5.237 -2.848 631 H ILE 79 H ILE 79 -7.796 11.070 -5.570 632 HA ILE 79 HA ILE 79 -7.514 12.933 -7.810 633 HB ILE 79 HB ILE 79 -9.532 13.062 -5.581 634 1HG1 ILE 79 1HG1 ILE 79 -10.017 10.946 -6.407 635 2HG1 ILE 79 2HG1 ILE 79 -11.079 11.986 -7.335 636 1HG2 ILE 79 1HG2 ILE 79 -10.021 14.986 -6.580 637 2HG2 ILE 79 2HG2 ILE 79 -8.927 14.639 -7.941 638 3HG2 ILE 79 3HG2 ILE 79 -10.600 14.033 -7.968 639 1HD1 ILE 79 1HD1 ILE 79 -10.186 10.850 -9.120 640 2HD1 ILE 79 2HD1 ILE 79 -8.866 12.032 -8.947 641 3HD1 ILE 79 3HD1 ILE 79 -8.709 10.411 -8.228 642 H ILE 80 H ILE 80 -6.674 14.995 -7.533 643 HA ILE 80 HA ILE 80 -5.940 15.755 -4.815 644 HB ILE 80 HB ILE 80 -3.966 15.795 -7.096 645 1HG1 ILE 80 1HG1 ILE 80 -4.601 13.676 -5.099 646 2HG1 ILE 80 2HG1 ILE 80 -4.035 13.534 -6.752 647 1HG2 ILE 80 1HG2 ILE 80 -3.452 16.147 -4.139 648 2HG2 ILE 80 2HG2 ILE 80 -2.357 16.476 -5.504 649 3HG2 ILE 80 3HG2 ILE 80 -3.782 17.508 -5.238 650 1HD1 ILE 80 1HD1 ILE 80 -2.224 12.862 -5.273 651 2HD1 ILE 80 2HD1 ILE 80 -1.783 14.426 -6.000 652 3HD1 ILE 80 3HD1 ILE 80 -2.381 14.360 -4.325 653 H LYS 81 H LYS 81 -6.980 17.649 -4.517 654 HA LYS 81 HA LYS 81 -7.290 19.383 -6.852 655 1HB LYS 81 1HB LYS 81 -8.718 19.468 -4.177 656 2HB LYS 81 2HB LYS 81 -9.073 20.458 -5.579 657 1HG LYS 81 1HG LYS 81 -9.482 18.288 -6.886 658 2HG LYS 81 2HG LYS 81 -9.352 17.427 -5.365 659 1HD LYS 81 1HD LYS 81 -11.177 19.094 -4.493 660 2HD LYS 81 2HD LYS 81 -11.446 19.474 -6.182 661 1HE LYS 81 1HE LYS 81 -11.468 16.731 -6.306 662 2HE LYS 81 2HE LYS 81 -12.071 16.964 -4.678 663 1HZ LYS 81 1HZ LYS 81 -13.184 18.502 -6.897 664 2HZ LYS 81 2HZ LYS 81 -13.712 16.988 -6.590 665 3HZ LYS 81 3HZ LYS 81 -13.867 18.152 -5.456 666 H LYS 82 H LYS 82 -5.292 18.866 -4.144 667 HA LYS 82 HA LYS 82 -4.199 21.532 -4.473 668 1HB LYS 82 1HB LYS 82 -5.132 20.464 -1.793 669 2HB LYS 82 2HB LYS 82 -4.083 21.852 -1.995 670 1HG LYS 82 1HG LYS 82 -6.013 22.657 -3.675 671 2HG LYS 82 2HG LYS 82 -6.996 21.551 -2.736 672 1HD LYS 82 1HD LYS 82 -6.633 22.757 -0.702 673 2HD LYS 82 2HD LYS 82 -5.237 23.600 -1.344 674 1HE LYS 82 1HE LYS 82 -6.559 25.301 -2.053 675 2HE LYS 82 2HE LYS 82 -7.469 24.199 -3.067 676 1HZ LYS 82 1HZ LYS 82 -8.187 25.318 -0.579 677 2HZ LYS 82 2HZ LYS 82 -9.127 24.566 -1.682 678 3HZ LYS 82 3HZ LYS 82 -8.341 23.692 -0.549 679 HA PRO 83 HA PRO 83 -1.112 18.269 -4.283 680 1HB PRO 83 1HB PRO 83 0.272 18.981 -6.530 681 2HB PRO 83 2HB PRO 83 -1.010 17.787 -6.532 682 1HG PRO 83 1HG PRO 83 -1.070 20.573 -7.518 683 2HG PRO 83 2HG PRO 83 -2.165 19.256 -7.885 684 1HD PRO 83 1HD PRO 83 -2.656 21.450 -6.104 685 2HD PRO 83 2HD PRO 83 -3.702 20.072 -6.383 686 H GLU 84 H GLU 84 -1.190 21.585 -4.062 687 HA GLU 84 HA GLU 84 1.572 22.015 -3.831 688 1HB GLU 84 1HB GLU 84 0.950 24.224 -3.004 689 2HB GLU 84 2HB GLU 84 -0.101 23.800 -4.340 690 1HG GLU 84 1HG GLU 84 -1.655 22.825 -2.386 691 2HG GLU 84 2HG GLU 84 -0.744 23.944 -1.392 692 H MET 85 H MET 85 -1.058 21.168 -1.542 693 HA MET 85 HA MET 85 0.581 21.539 0.734 694 1HB MET 85 1HB MET 85 -2.089 20.119 0.233 695 2HB MET 85 2HB MET 85 -1.384 20.248 1.833 696 1HG MET 85 1HG MET 85 -1.464 22.845 0.413 697 2HG MET 85 2HG MET 85 -3.056 22.144 0.627 698 1HE MET 85 1HE MET 85 -2.982 20.525 3.319 699 2HE MET 85 2HE MET 85 -3.527 21.835 4.392 700 3HE MET 85 3HE MET 85 -4.209 21.684 2.755 701 H PHE 86 H PHE 86 0.486 19.167 -1.710 702 HA PHE 86 HA PHE 86 1.037 16.913 -0.028 703 1HB PHE 86 1HB PHE 86 0.456 17.606 -2.823 704 2HB PHE 86 2HB PHE 86 1.870 16.572 -2.779 705 HD1 PHE 86 1HD PHE 86 1.551 14.287 -2.822 706 HD2 PHE 86 2HD PHE 86 -1.567 16.747 -1.327 707 HE1 PHE 86 1HE PHE 86 0.072 12.273 -2.593 708 HE2 PHE 86 2HE PHE 86 -3.046 14.732 -1.098 709 HZ PHE 86 HZ PHE 86 -2.209 12.519 -1.733 710 H GLU 87 H GLU 87 2.876 19.309 -1.964 711 HA GLU 87 HA GLU 87 5.242 18.158 -2.266 712 1HB GLU 87 1HB GLU 87 4.250 20.832 -2.117 713 2HB GLU 87 2HB GLU 87 5.715 20.798 -1.156 714 1HG GLU 87 1HG GLU 87 6.249 19.271 -3.527 715 2HG GLU 87 2HG GLU 87 5.442 20.738 -4.045 716 H THR 88 H THR 88 4.096 19.731 0.798 717 HA THR 88 HA THR 88 6.329 19.436 2.336 718 HB THR 88 HB THR 88 3.349 19.179 2.977 719 HG1 THR 88 1HG THR 88 4.054 21.242 2.192 720 1HG2 THR 88 1HG2 THR 88 5.658 18.747 4.718 721 2HG2 THR 88 2HG2 THR 88 4.822 20.251 5.173 722 3HG2 THR 88 3HG2 THR 88 3.929 18.711 5.138 723 H ALA 89 H ALA 89 3.860 16.925 1.571 724 HA ALA 89 HA ALA 89 5.038 14.990 3.261 725 1HB ALA 89 1HB ALA 89 3.423 14.288 0.820 726 2HB ALA 89 2HB ALA 89 3.357 13.601 2.461 727 3HB ALA 89 3HB ALA 89 2.648 15.201 2.136 728 H ILE 90 H ILE 90 5.049 15.405 -0.356 729 HA ILE 90 HA ILE 90 6.764 13.382 -0.965 730 HB ILE 90 HB ILE 90 6.385 16.098 -2.214 731 1HG1 ILE 90 1HG1 ILE 90 5.452 13.818 -3.727 732 2HG1 ILE 90 2HG1 ILE 90 4.776 13.778 -2.110 733 1HG2 ILE 90 1HG2 ILE 90 7.396 14.172 -4.077 734 2HG2 ILE 90 2HG2 ILE 90 8.067 15.755 -3.616 735 3HG2 ILE 90 3HG2 ILE 90 8.518 14.296 -2.701 736 1HD1 ILE 90 1HD1 ILE 90 3.521 15.150 -3.949 737 2HD1 ILE 90 2HD1 ILE 90 3.730 15.890 -2.344 738 3HD1 ILE 90 3HD1 ILE 90 4.792 16.369 -3.690 739 H LYS 91 H LYS 91 7.532 16.685 0.241 740 HA LYS 91 HA LYS 91 10.315 16.416 -0.064 741 1HB LYS 91 1HB LYS 91 8.417 18.315 1.151 742 2HB LYS 91 2HB LYS 91 9.971 18.248 1.957 743 1HG LYS 91 1HG LYS 91 11.068 18.474 -0.352 744 2HG LYS 91 2HG LYS 91 9.471 18.779 -1.006 745 1HD LYS 91 1HD LYS 91 9.402 20.912 -0.177 746 2HD LYS 91 2HD LYS 91 10.057 20.432 1.376 747 1HE LYS 91 1HE LYS 91 11.928 21.562 0.693 748 2HE LYS 91 2HE LYS 91 12.280 20.102 -0.211 749 1HZ LYS 91 1HZ LYS 91 11.305 22.637 -1.162 750 2HZ LYS 91 2HZ LYS 91 12.294 21.560 -1.890 751 3HZ LYS 91 3HZ LYS 91 10.679 21.320 -1.897 752 H GLU 92 H GLU 92 8.089 15.924 2.755 753 HA GLU 92 HA GLU 92 10.298 14.868 4.252 754 1HB GLU 92 1HB GLU 92 7.658 15.966 4.832 755 2HB GLU 92 2HB GLU 92 7.875 14.443 5.670 756 1HG GLU 92 1HG GLU 92 10.296 16.112 5.816 757 2HG GLU 92 2HG GLU 92 8.897 16.949 6.459 758 H SER 93 H SER 93 10.525 13.129 2.455 759 HA SER 93 HA SER 93 9.226 10.789 3.467 760 1HB SER 93 1HB SER 93 8.748 11.837 0.662 761 2HB SER 93 2HB SER 93 8.688 10.115 0.983 762 HG SER 93 HG SER 93 6.802 12.043 1.516 763 H SER 94 H SER 94 11.279 9.988 4.054 764 HA SER 94 HA SER 94 12.699 8.638 2.158 765 1HB SER 94 1HB SER 94 13.306 11.280 1.803 766 2HB SER 94 2HB SER 94 14.520 10.859 2.994 767 HG SER 94 HG SER 94 15.477 9.430 1.605 768 H GLY 95 H GLY 95 12.225 7.269 4.089 769 1HA GLY 95 1HA GLY 95 14.129 7.761 6.301 770 2HA GLY 95 2HA GLY 95 12.566 6.989 6.480 771 HA PRO 96 HA PRO 96 15.914 3.932 5.315 772 1HB PRO 96 1HB PRO 96 17.008 3.216 7.715 773 2HB PRO 96 2HB PRO 96 17.756 4.368 6.627 774 1HG PRO 96 1HG PRO 96 16.308 4.876 9.153 775 2HG PRO 96 2HG PRO 96 17.408 5.930 8.288 776 1HD PRO 96 1HD PRO 96 14.546 6.112 8.347 777 2HD PRO 96 2HD PRO 96 15.639 7.092 7.390 778 H SER 97 H SER 97 16.237 1.547 6.324 779 HA SER 97 HA SER 97 13.509 0.852 7.091 780 1HB SER 97 1HB SER 97 14.708 0.126 4.750 781 2HB SER 97 2HB SER 97 15.230 -1.206 5.763 782 HG SER 97 HG SER 97 13.067 -1.357 4.563 783 H SER 98 H SER 98 16.959 -0.315 7.140 784 HA SER 98 HA SER 98 16.906 -0.632 9.916 785 1HB SER 98 1HB SER 98 15.708 -2.780 8.577 786 2HB SER 98 2HB SER 98 17.347 -3.342 8.839 787 HG SER 98 HG SER 98 15.707 -3.742 10.605 788 H GLY 99 H GLY 99 19.053 -0.932 10.713 789 1HA GLY 99 1HA GLY 99 21.119 -0.738 8.646 790 2HA GLY 99 2HA GLY 99 21.268 -0.319 10.341 Start of MODEL 10 1 1H GLY 1 H GLY 1 1.449 -18.519 4.829 2 1HA GLY 1 1HA GLY 1 1.973 -18.267 1.934 3 2HA GLY 1 2HA GLY 1 1.280 -19.660 2.740 4 H SER 2 H SER 2 -0.924 -19.503 3.658 5 HA SER 2 HA SER 2 -2.409 -17.172 2.875 6 1HB SER 2 1HB SER 2 -2.607 -18.462 0.838 7 2HB SER 2 2HB SER 2 -2.933 -19.940 1.723 8 HG SER 2 HG SER 2 -4.743 -17.930 2.373 9 H SER 3 H SER 3 -2.631 -16.943 5.202 10 HA SER 3 HA SER 3 -4.792 -18.520 6.200 11 1HB SER 3 1HB SER 3 -2.309 -19.506 6.789 12 2HB SER 3 2HB SER 3 -2.511 -18.392 8.127 13 HG SER 3 HG SER 3 -3.377 -20.381 8.775 14 H GLY 4 H GLY 4 -2.113 -16.297 7.284 15 1HA GLY 4 1HA GLY 4 -3.991 -14.756 8.879 16 2HA GLY 4 2HA GLY 4 -2.254 -14.553 8.771 17 H SER 5 H SER 5 -3.465 -12.213 8.707 18 HA SER 5 HA SER 5 -4.192 -11.569 6.001 19 1HB SER 5 1HB SER 5 -4.587 -9.263 7.005 20 2HB SER 5 2HB SER 5 -5.570 -10.548 7.677 21 HG SER 5 HG SER 5 -4.284 -10.608 9.538 22 H SER 6 H SER 6 -2.147 -11.863 4.905 23 HA SER 6 HA SER 6 -0.357 -9.643 5.397 24 1HB SER 6 1HB SER 6 0.261 -12.407 5.995 25 2HB SER 6 2HB SER 6 1.275 -11.884 4.665 26 HG SER 6 HG SER 6 1.125 -10.862 7.339 27 H GLY 7 H GLY 7 1.601 -10.319 3.445 28 1HA GLY 7 1HA GLY 7 1.990 -10.374 1.228 29 2HA GLY 7 2HA GLY 7 0.482 -11.242 1.014 30 H LEU 8 H LEU 8 -1.599 -9.800 1.349 31 HA LEU 8 HA LEU 8 -1.571 -7.845 -0.611 32 1HB LEU 8 1HB LEU 8 -3.530 -8.253 1.653 33 2HB LEU 8 2HB LEU 8 -3.817 -7.292 0.216 34 HG LEU 8 HG LEU 8 -4.860 -9.187 -0.447 35 1HD1 LEU 8 1HD1 LEU 8 -3.511 -10.520 -1.937 36 2HD1 LEU 8 2HD1 LEU 8 -2.966 -8.827 -2.006 37 3HD1 LEU 8 3HD1 LEU 8 -2.022 -10.030 -1.093 38 1HD2 LEU 8 1HD2 LEU 8 -3.852 -10.253 1.856 39 2HD2 LEU 8 2HD2 LEU 8 -4.859 -11.126 0.676 40 3HD2 LEU 8 3HD2 LEU 8 -3.087 -11.280 0.619 41 H LYS 9 H LYS 9 -1.528 -7.525 3.000 42 HA LYS 9 HA LYS 9 -1.658 -4.882 3.323 43 1HB LYS 9 1HB LYS 9 -0.422 -7.105 4.736 44 2HB LYS 9 2HB LYS 9 0.475 -5.621 4.984 45 1HG LYS 9 1HG LYS 9 -1.592 -4.446 5.681 46 2HG LYS 9 2HG LYS 9 -2.549 -5.875 5.340 47 1HD LYS 9 1HD LYS 9 -0.521 -6.825 7.049 48 2HD LYS 9 2HD LYS 9 -0.909 -5.247 7.706 49 1HE LYS 9 1HE LYS 9 -3.200 -5.820 8.068 50 2HE LYS 9 2HE LYS 9 -3.133 -7.178 6.963 51 1HZ LYS 9 1HZ LYS 9 -2.889 -8.275 8.883 52 2HZ LYS 9 2HZ LYS 9 -1.309 -7.908 8.699 53 3HZ LYS 9 3HZ LYS 9 -2.244 -7.014 9.696 54 H GLN 10 H GLN 10 1.427 -6.637 2.531 55 HA GLN 10 HA GLN 10 2.898 -4.313 2.235 56 1HB GLN 10 1HB GLN 10 3.448 -7.004 2.246 57 2HB GLN 10 2HB GLN 10 3.675 -6.645 0.546 58 1HG GLN 10 1HG GLN 10 4.932 -4.506 1.949 59 2HG GLN 10 2HG GLN 10 5.387 -5.962 2.811 60 1HE2 GLN 10 1HE2 GLN 10 6.064 -3.960 0.248 61 2HE2 GLN 10 2HE2 GLN 10 7.092 -4.983 -0.699 62 H LYS 11 H LYS 11 1.139 -6.361 -0.179 63 HA LYS 11 HA LYS 11 1.920 -4.935 -2.434 64 1HB LYS 11 1HB LYS 11 -0.494 -6.649 -1.817 65 2HB LYS 11 2HB LYS 11 -0.226 -5.941 -3.397 66 1HG LYS 11 1HG LYS 11 1.500 -7.373 -3.897 67 2HG LYS 11 2HG LYS 11 2.169 -7.300 -2.279 68 1HD LYS 11 1HD LYS 11 1.358 -9.417 -2.032 69 2HD LYS 11 2HD LYS 11 -0.205 -8.653 -1.820 70 1HE LYS 11 1HE LYS 11 -0.273 -8.716 -4.485 71 2HE LYS 11 2HE LYS 11 0.940 -9.966 -4.297 72 1HZ LYS 11 1HZ LYS 11 -0.892 -11.216 -4.101 73 2HZ LYS 11 2HZ LYS 11 -0.824 -10.770 -2.532 74 3HZ LYS 11 3HZ LYS 11 -1.842 -10.006 -3.555 75 H VAL 12 H VAL 12 -1.369 -4.791 -0.896 76 HA VAL 12 HA VAL 12 -2.281 -2.582 -2.133 77 HB VAL 12 HB VAL 12 -2.651 -3.299 0.783 78 1HG1 VAL 12 1HG1 VAL 12 -4.790 -2.160 0.625 79 2HG1 VAL 12 2HG1 VAL 12 -3.483 -1.041 0.166 80 3HG1 VAL 12 3HG1 VAL 12 -4.500 -1.785 -1.091 81 1HG2 VAL 12 1HG2 VAL 12 -3.629 -5.172 0.074 82 2HG2 VAL 12 2HG2 VAL 12 -4.834 -4.184 -0.787 83 3HG2 VAL 12 3HG2 VAL 12 -3.357 -4.717 -1.625 84 H GLU 13 H GLU 13 -0.029 -2.726 0.673 85 HA GLU 13 HA GLU 13 -0.030 -0.085 1.323 86 1HB GLU 13 1HB GLU 13 1.913 -2.346 1.563 87 2HB GLU 13 2HB GLU 13 2.581 -0.740 1.782 88 1HG GLU 13 1HG GLU 13 0.016 -1.476 3.216 89 2HG GLU 13 2HG GLU 13 1.544 -2.059 3.848 90 H ASN 14 H ASN 14 2.123 -1.791 -1.058 91 HA ASN 14 HA ASN 14 3.470 0.497 -1.827 92 1HB ASN 14 1HB ASN 14 3.120 -2.288 -2.824 93 2HB ASN 14 2HB ASN 14 3.486 -1.139 -4.096 94 1HD2 ASN 14 1HD2 ASN 14 4.713 -3.087 -1.670 95 2HD2 ASN 14 2HD2 ASN 14 6.333 -2.482 -1.572 96 H LEU 15 H LEU 15 0.535 -1.209 -3.094 97 HA LEU 15 HA LEU 15 0.068 0.048 -5.420 98 1HB LEU 15 1HB LEU 15 -1.503 -1.504 -4.996 99 2HB LEU 15 2HB LEU 15 -1.601 -1.119 -3.289 100 HG LEU 15 HG LEU 15 -2.885 0.979 -3.957 101 1HD1 LEU 15 1HD1 LEU 15 -2.558 1.374 -6.190 102 2HD1 LEU 15 2HD1 LEU 15 -2.613 -0.351 -6.623 103 3HD1 LEU 15 3HD1 LEU 15 -4.118 0.519 -6.239 104 1HD2 LEU 15 1HD2 LEU 15 -3.709 -1.619 -3.429 105 2HD2 LEU 15 2HD2 LEU 15 -4.716 -0.152 -3.387 106 3HD2 LEU 15 3HD2 LEU 15 -4.658 -1.149 -4.860 107 H PHE 16 H PHE 16 -1.291 1.274 -2.274 108 HA PHE 16 HA PHE 16 -2.160 3.679 -3.222 109 1HB PHE 16 1HB PHE 16 -0.845 2.902 -0.549 110 2HB PHE 16 2HB PHE 16 -1.797 4.358 -0.765 111 HD1 PHE 16 1HD PHE 16 -2.175 1.833 1.087 112 HD2 PHE 16 2HD PHE 16 -3.955 3.128 -2.542 113 HE1 PHE 16 1HE PHE 16 -4.260 0.554 1.652 114 HE2 PHE 16 2HE PHE 16 -6.039 1.849 -1.976 115 HZ PHE 16 HZ PHE 16 -6.167 0.577 0.114 116 H ASN 17 H ASN 17 0.966 3.164 -1.424 117 HA ASN 17 HA ASN 17 2.017 5.569 -1.600 118 1HB ASN 17 1HB ASN 17 3.277 2.830 -1.972 119 2HB ASN 17 2HB ASN 17 4.291 4.253 -2.097 120 1HD2 ASN 17 1HD2 ASN 17 4.994 5.236 -0.328 121 2HD2 ASN 17 2HD2 ASN 17 4.530 4.872 1.301 122 H GLU 18 H GLU 18 2.520 2.986 -4.135 123 HA GLU 18 HA GLU 18 3.840 4.507 -5.947 124 1HB GLU 18 1HB GLU 18 2.260 2.008 -5.986 125 2HB GLU 18 2HB GLU 18 2.299 2.819 -7.540 126 1HG GLU 18 1HG GLU 18 4.957 2.881 -6.348 127 2HG GLU 18 2HG GLU 18 4.357 1.234 -6.347 128 H LYS 19 H LYS 19 0.269 3.782 -6.020 129 HA LYS 19 HA LYS 19 -0.492 5.324 -8.072 130 1HB LYS 19 1HB LYS 19 -1.857 4.868 -5.410 131 2HB LYS 19 2HB LYS 19 -2.641 5.679 -6.751 132 1HG LYS 19 1HG LYS 19 -1.434 2.874 -6.871 133 2HG LYS 19 2HG LYS 19 -3.141 3.222 -6.688 134 1HD LYS 19 1HD LYS 19 -2.295 4.754 -8.935 135 2HD LYS 19 2HD LYS 19 -1.521 3.193 -9.119 136 1HE LYS 19 1HE LYS 19 -3.885 2.190 -8.558 137 2HE LYS 19 2HE LYS 19 -4.492 3.798 -8.900 138 1HZ LYS 19 1HZ LYS 19 -3.904 1.871 -10.722 139 2HZ LYS 19 2HZ LYS 19 -4.243 3.436 -11.046 140 3HZ LYS 19 3HZ LYS 19 -2.691 2.950 -10.894 141 H CYS 20 H CYS 20 -0.010 6.499 -4.672 142 HA CYS 20 HA CYS 20 -0.703 9.071 -4.948 143 1HB CYS 20 1HB CYS 20 1.025 7.563 -3.186 144 2HB CYS 20 2HB CYS 20 1.715 9.148 -3.475 145 HG CYS 20 HG CYS 20 0.348 10.261 -1.905 146 H GLY 21 H GLY 21 2.716 7.878 -5.398 147 1HA GLY 21 1HA GLY 21 3.802 10.139 -6.501 148 2HA GLY 21 2HA GLY 21 4.328 8.501 -6.838 149 H GLU 22 H GLU 22 1.596 7.760 -7.975 150 HA GLU 22 HA GLU 22 2.214 8.525 -10.622 151 1HB GLU 22 1HB GLU 22 0.766 6.457 -9.361 152 2HB GLU 22 2HB GLU 22 -0.445 7.341 -10.269 153 1HG GLU 22 1HG GLU 22 2.102 6.862 -11.744 154 2HG GLU 22 2HG GLU 22 1.212 5.408 -11.339 155 H ALA 23 H ALA 23 -0.267 9.419 -8.178 156 HA ALA 23 HA ALA 23 -1.946 10.879 -9.830 157 1HB ALA 23 1HB ALA 23 -2.548 12.041 -7.666 158 2HB ALA 23 2HB ALA 23 -2.587 10.263 -7.587 159 3HB ALA 23 3HB ALA 23 -1.213 11.156 -6.891 160 H LEU 24 H LEU 24 1.028 11.852 -8.013 161 HA LEU 24 HA LEU 24 0.859 14.550 -8.877 162 1HB LEU 24 1HB LEU 24 3.075 12.918 -7.638 163 2HB LEU 24 2HB LEU 24 3.209 14.629 -7.991 164 HG LEU 24 HG LEU 24 2.703 14.331 -5.659 165 1HD1 LEU 24 1HD1 LEU 24 0.812 15.775 -5.419 166 2HD1 LEU 24 2HD1 LEU 24 1.678 16.246 -6.901 167 3HD1 LEU 24 3HD1 LEU 24 0.174 15.301 -7.011 168 1HD2 LEU 24 1HD2 LEU 24 0.177 12.869 -6.471 169 2HD2 LEU 24 2HD2 LEU 24 1.658 12.088 -5.867 170 3HD2 LEU 24 3HD2 LEU 24 0.748 13.203 -4.818 171 H GLY 25 H GLY 25 1.773 11.582 -10.388 172 1HA GLY 25 1HA GLY 25 2.257 11.350 -12.625 173 2HA GLY 25 2HA GLY 25 2.661 13.052 -12.737 174 H LEU 26 H LEU 26 3.829 10.209 -10.778 175 HA LEU 26 HA LEU 26 6.532 10.883 -11.699 176 1HB LEU 26 1HB LEU 26 5.838 9.972 -8.908 177 2HB LEU 26 2HB LEU 26 7.414 10.436 -9.517 178 HG LEU 26 HG LEU 26 5.050 12.317 -9.279 179 1HD1 LEU 26 1HD1 LEU 26 5.510 12.626 -7.132 180 2HD1 LEU 26 2HD1 LEU 26 6.647 11.259 -7.216 181 3HD1 LEU 26 3HD1 LEU 26 7.228 12.919 -7.493 182 1HD2 LEU 26 1HD2 LEU 26 7.973 12.935 -9.781 183 2HD2 LEU 26 2HD2 LEU 26 6.704 12.908 -11.028 184 3HD2 LEU 26 3HD2 LEU 26 6.625 14.094 -9.704 185 H LYS 27 H LYS 27 8.061 8.919 -11.278 186 HA LYS 27 HA LYS 27 6.555 6.528 -12.073 187 1HB LYS 27 1HB LYS 27 8.989 7.811 -13.085 188 2HB LYS 27 2HB LYS 27 9.209 6.104 -12.758 189 1HG LYS 27 1HG LYS 27 6.786 7.117 -14.296 190 2HG LYS 27 2HG LYS 27 8.304 6.789 -15.106 191 1HD LYS 27 1HD LYS 27 8.131 4.493 -14.822 192 2HD LYS 27 2HD LYS 27 7.317 4.633 -13.277 193 1HE LYS 27 1HE LYS 27 5.555 5.769 -15.236 194 2HE LYS 27 2HE LYS 27 6.152 4.266 -15.911 195 1HZ LYS 27 1HZ LYS 27 4.149 4.163 -14.413 196 2HZ LYS 27 2HZ LYS 27 5.336 3.082 -14.115 197 3HZ LYS 27 3HZ LYS 27 5.169 4.395 -13.159 198 H GLN 28 H GLN 28 7.403 7.807 -9.314 199 HA GLN 28 HA GLN 28 8.544 5.308 -8.339 200 1HB GLN 28 1HB GLN 28 9.822 6.571 -6.658 201 2HB GLN 28 2HB GLN 28 10.254 7.100 -8.272 202 1HG GLN 28 1HG GLN 28 8.173 8.820 -7.725 203 2HG GLN 28 2HG GLN 28 8.816 8.577 -6.113 204 1HE2 GLN 28 1HE2 GLN 28 8.885 11.020 -7.358 205 2HE2 GLN 28 2HE2 GLN 28 10.516 11.479 -7.720 206 H ALA 29 H ALA 29 8.283 5.533 -5.645 207 HA ALA 29 HA ALA 29 5.391 5.781 -5.351 208 1HB ALA 29 1HB ALA 29 7.273 3.860 -4.570 209 2HB ALA 29 2HB ALA 29 6.885 4.731 -3.066 210 3HB ALA 29 3HB ALA 29 5.585 3.975 -4.018 211 H VAL 30 H VAL 30 4.523 6.816 -3.364 212 HA VAL 30 HA VAL 30 6.330 8.649 -2.039 213 HB VAL 30 HB VAL 30 3.884 9.663 -3.492 214 1HG1 VAL 30 1HG1 VAL 30 4.337 11.056 -1.631 215 2HG1 VAL 30 2HG1 VAL 30 6.094 10.990 -1.905 216 3HG1 VAL 30 3HG1 VAL 30 5.051 11.888 -3.033 217 1HG2 VAL 30 1HG2 VAL 30 5.467 10.748 -5.064 218 2HG2 VAL 30 2HG2 VAL 30 6.804 9.853 -4.304 219 3HG2 VAL 30 3HG2 VAL 30 5.515 8.971 -5.158 220 H LYS 31 H LYS 31 5.879 8.534 0.096 221 HA LYS 31 HA LYS 31 4.025 6.975 1.232 222 1HB LYS 31 1HB LYS 31 5.927 8.721 2.128 223 2HB LYS 31 2HB LYS 31 4.467 9.514 2.682 224 1HG LYS 31 1HG LYS 31 3.851 6.967 3.409 225 2HG LYS 31 2HG LYS 31 5.598 6.845 3.471 226 1HD LYS 31 1HD LYS 31 4.374 9.269 4.758 227 2HD LYS 31 2HD LYS 31 4.108 7.736 5.563 228 1HE LYS 31 1HE LYS 31 6.865 7.746 4.833 229 2HE LYS 31 2HE LYS 31 6.537 9.352 5.453 230 1HZ LYS 31 1HZ LYS 31 6.599 8.470 7.452 231 2HZ LYS 31 2HZ LYS 31 5.258 7.596 7.129 232 3HZ LYS 31 3HZ LYS 31 6.735 6.951 6.868 233 H VAL 32 H VAL 32 1.849 6.951 1.652 234 HA VAL 32 HA VAL 32 0.292 8.962 0.303 235 HB VAL 32 HB VAL 32 -0.330 6.396 1.759 236 1HG1 VAL 32 1HG1 VAL 32 -2.300 7.478 2.232 237 2HG1 VAL 32 2HG1 VAL 32 -2.173 8.565 0.829 238 3HG1 VAL 32 3HG1 VAL 32 -2.672 6.871 0.601 239 1HG2 VAL 32 1HG2 VAL 32 0.295 7.125 -0.978 240 2HG2 VAL 32 2HG2 VAL 32 0.128 5.513 -0.240 241 3HG2 VAL 32 3HG2 VAL 32 -1.307 6.355 -0.873 242 HA PRO 33 HA PRO 33 -0.027 11.233 4.039 243 1HB PRO 33 1HB PRO 33 -1.155 13.476 2.960 244 2HB PRO 33 2HB PRO 33 0.576 13.208 3.021 245 1HG PRO 33 1HG PRO 33 -1.248 13.011 0.704 246 2HG PRO 33 2HG PRO 33 0.497 13.168 0.717 247 1HD PRO 33 1HD PRO 33 -1.007 10.778 0.212 248 2HD PRO 33 2HD PRO 33 0.736 10.913 0.339 249 H PHE 34 H PHE 34 -1.615 9.246 4.252 250 HA PHE 34 HA PHE 34 -4.226 9.382 3.777 251 1HB PHE 34 1HB PHE 34 -2.608 8.641 6.269 252 2HB PHE 34 2HB PHE 34 -4.342 8.385 6.252 253 HD1 PHE 34 1HD PHE 34 -1.138 7.167 5.118 254 HD2 PHE 34 2HD PHE 34 -5.333 6.794 4.602 255 HE1 PHE 34 1HE PHE 34 -0.800 4.957 3.978 256 HE2 PHE 34 2HE PHE 34 -4.996 4.583 3.462 257 HZ PHE 34 HZ PHE 34 -2.733 3.691 3.164 258 H ALA 35 H ALA 35 -2.486 11.227 6.343 259 HA ALA 35 HA ALA 35 -4.629 12.213 7.729 260 1HB ALA 35 1HB ALA 35 -2.911 13.193 8.790 261 2HB ALA 35 2HB ALA 35 -1.827 12.708 7.464 262 3HB ALA 35 3HB ALA 35 -2.658 14.281 7.403 263 H LEU 36 H LEU 36 -3.050 13.599 4.767 264 HA LEU 36 HA LEU 36 -4.630 15.820 4.504 265 1HB LEU 36 1HB LEU 36 -3.034 14.104 2.685 266 2HB LEU 36 2HB LEU 36 -4.183 15.192 1.932 267 HG LEU 36 HG LEU 36 -3.098 17.051 3.345 268 1HD1 LEU 36 1HD1 LEU 36 -1.464 16.548 4.754 269 2HD1 LEU 36 2HD1 LEU 36 -1.629 14.826 4.330 270 3HD1 LEU 36 3HD1 LEU 36 -0.501 15.862 3.423 271 1HD2 LEU 36 1HD2 LEU 36 -1.323 15.808 1.237 272 2HD2 LEU 36 2HD2 LEU 36 -2.848 16.645 0.862 273 3HD2 LEU 36 3HD2 LEU 36 -1.518 17.529 1.647 274 H PHE 37 H PHE 37 -5.258 12.438 3.402 275 HA PHE 37 HA PHE 37 -7.729 13.125 2.195 276 1HB PHE 37 1HB PHE 37 -6.449 10.526 3.231 277 2HB PHE 37 2HB PHE 37 -7.927 10.543 2.288 278 HD1 PHE 37 1HD PHE 37 -4.309 11.235 2.183 279 HD2 PHE 37 2HD PHE 37 -7.875 10.828 -0.081 280 HE1 PHE 37 1HE PHE 37 -2.959 11.177 0.067 281 HE2 PHE 37 2HE PHE 37 -6.525 10.770 -2.197 282 HZ PHE 37 HZ PHE 37 -4.084 10.945 -2.097 283 H GLU 38 H GLU 38 -6.740 12.900 5.456 284 HA GLU 38 HA GLU 38 -9.372 12.015 6.298 285 1HB GLU 38 1HB GLU 38 -6.814 12.467 7.898 286 2HB GLU 38 2HB GLU 38 -8.324 11.893 8.577 287 1HG GLU 38 1HG GLU 38 -7.693 10.275 6.258 288 2HG GLU 38 2HG GLU 38 -6.270 10.359 7.277 289 H SER 39 H SER 39 -6.943 14.602 7.125 290 HA SER 39 HA SER 39 -8.862 16.154 8.441 291 1HB SER 39 1HB SER 39 -6.069 16.689 7.381 292 2HB SER 39 2HB SER 39 -7.014 17.980 8.097 293 HG SER 39 HG SER 39 -5.496 16.336 9.426 294 H PHE 40 H PHE 40 -7.640 15.965 5.085 295 HA PHE 40 HA PHE 40 -9.608 18.023 4.368 296 1HB PHE 40 1HB PHE 40 -6.979 17.293 2.953 297 2HB PHE 40 2HB PHE 40 -7.990 18.681 2.602 298 HD1 PHE 40 1HD PHE 40 -8.421 20.196 4.824 299 HD2 PHE 40 2HD PHE 40 -5.042 17.731 4.106 300 HE1 PHE 40 1HE PHE 40 -7.068 21.585 6.418 301 HE2 PHE 40 2HE PHE 40 -3.689 19.120 5.700 302 HZ PHE 40 HZ PHE 40 -4.719 21.030 6.837 303 HA PRO 41 HA PRO 41 -10.613 14.160 2.218 304 1HB PRO 41 1HB PRO 41 -13.250 14.024 2.922 305 2HB PRO 41 2HB PRO 41 -11.980 13.198 3.802 306 1HG PRO 41 1HG PRO 41 -13.467 15.640 4.551 307 2HG PRO 41 2HG PRO 41 -12.522 14.574 5.571 308 1HD PRO 41 1HD PRO 41 -11.735 17.151 4.587 309 2HD PRO 41 2HD PRO 41 -10.748 16.035 5.510 310 H GLU 42 H GLU 42 -12.069 17.283 2.337 311 HA GLU 42 HA GLU 42 -13.369 16.818 -0.179 312 1HB GLU 42 1HB GLU 42 -13.299 19.056 1.841 313 2HB GLU 42 2HB GLU 42 -13.794 19.433 0.203 314 1HG GLU 42 1HG GLU 42 -15.499 17.566 0.332 315 2HG GLU 42 2HG GLU 42 -15.045 17.307 2.005 316 H ASP 43 H ASP 43 -10.692 16.336 -0.545 317 HA ASP 43 HA ASP 43 -10.071 18.251 -2.496 318 1HB ASP 43 1HB ASP 43 -8.492 18.232 0.100 319 2HB ASP 43 2HB ASP 43 -7.718 18.697 -1.401 320 H PHE 44 H PHE 44 -8.976 15.662 -0.229 321 HA PHE 44 HA PHE 44 -7.566 14.416 -2.484 322 1HB PHE 44 1HB PHE 44 -7.074 14.157 0.541 323 2HB PHE 44 2HB PHE 44 -6.048 13.503 -0.720 324 HD1 PHE 44 1HD PHE 44 -6.265 16.027 1.597 325 HD2 PHE 44 2HD PHE 44 -5.314 15.450 -2.498 326 HE1 PHE 44 1HE PHE 44 -4.899 18.132 1.618 327 HE2 PHE 44 2HE PHE 44 -3.948 17.556 -2.478 328 HZ PHE 44 HZ PHE 44 -3.757 18.872 -0.420 329 H TYR 45 H TYR 45 -8.576 12.606 -3.200 330 HA TYR 45 HA TYR 45 -9.527 10.681 -1.290 331 1HB TYR 45 1HB TYR 45 -11.842 10.758 -2.456 332 2HB TYR 45 2HB TYR 45 -11.499 12.145 -1.441 333 HD1 TYR 45 1HD TYR 45 -10.995 14.345 -2.439 334 HD2 TYR 45 2HD TYR 45 -11.983 10.970 -4.876 335 HE1 TYR 45 1HE TYR 45 -11.427 15.888 -4.414 336 HE2 TYR 45 2HE TYR 45 -12.411 12.524 -6.842 337 HH TYR 45 HH TYR 45 -12.280 14.555 -7.589 338 H VAL 46 H VAL 46 -10.061 8.612 -2.311 339 HA VAL 46 HA VAL 46 -8.861 8.438 -4.986 340 HB VAL 46 HB VAL 46 -9.003 6.484 -2.687 341 1HG1 VAL 46 1HG1 VAL 46 -9.404 5.364 -4.888 342 2HG1 VAL 46 2HG1 VAL 46 -7.829 5.981 -5.441 343 3HG1 VAL 46 3HG1 VAL 46 -7.908 4.842 -4.076 344 1HG2 VAL 46 1HG2 VAL 46 -6.390 6.637 -3.433 345 2HG2 VAL 46 2HG2 VAL 46 -6.939 8.289 -3.804 346 3HG2 VAL 46 3HG2 VAL 46 -7.130 7.635 -2.159 347 H GLU 47 H GLU 47 -10.052 7.599 -6.664 348 HA GLU 47 HA GLU 47 -12.711 6.659 -5.915 349 1HB GLU 47 1HB GLU 47 -11.901 8.115 -8.470 350 2HB GLU 47 2HB GLU 47 -13.521 7.582 -8.067 351 1HG GLU 47 1HG GLU 47 -12.549 9.116 -5.834 352 2HG GLU 47 2HG GLU 47 -12.183 10.026 -7.286 353 H GLY 48 H GLY 48 -13.475 4.739 -6.866 354 1HA GLY 48 1HA GLY 48 -13.243 3.269 -8.847 355 2HA GLY 48 2HA GLY 48 -11.513 3.331 -8.579 356 H LEU 49 H LEU 49 -11.971 3.398 -5.535 357 HA LEU 49 HA LEU 49 -11.480 0.812 -4.943 358 1HB LEU 49 1HB LEU 49 -12.899 2.920 -3.317 359 2HB LEU 49 2HB LEU 49 -12.389 1.377 -2.660 360 HG LEU 49 HG LEU 49 -10.371 3.121 -4.039 361 1HD1 LEU 49 1HD1 LEU 49 -11.791 4.434 -2.309 362 2HD1 LEU 49 2HD1 LEU 49 -10.909 3.468 -1.101 363 3HD1 LEU 49 3HD1 LEU 49 -10.015 4.520 -2.226 364 1HD2 LEU 49 1HD2 LEU 49 -10.300 1.018 -1.873 365 2HD2 LEU 49 2HD2 LEU 49 -9.534 0.992 -3.479 366 3HD2 LEU 49 3HD2 LEU 49 -8.921 2.090 -2.219 367 HA PRO 50 HA PRO 50 -15.163 -1.384 -5.433 368 1HB PRO 50 1HB PRO 50 -14.803 -3.472 -3.707 369 2HB PRO 50 2HB PRO 50 -14.067 -3.405 -5.296 370 1HG PRO 50 1HG PRO 50 -12.814 -2.975 -2.653 371 2HG PRO 50 2HG PRO 50 -12.046 -3.331 -4.188 372 1HD PRO 50 1HD PRO 50 -12.172 -0.780 -2.883 373 2HD PRO 50 2HD PRO 50 -11.507 -1.114 -4.469 374 H GLU 51 H GLU 51 -17.278 -1.798 -4.703 375 HA GLU 51 HA GLU 51 -18.121 0.017 -2.850 376 1HB GLU 51 1HB GLU 51 -19.290 -1.907 -4.541 377 2HB GLU 51 2HB GLU 51 -19.838 -2.364 -2.941 378 1HG GLU 51 1HG GLU 51 -20.934 -0.300 -2.572 379 2HG GLU 51 2HG GLU 51 -19.954 0.551 -3.749 380 H GLY 52 H GLY 52 -18.579 -0.018 -0.617 381 1HA GLY 52 1HA GLY 52 -18.568 -0.762 1.515 382 2HA GLY 52 2HA GLY 52 -18.447 -2.410 0.930 383 H VAL 53 H VAL 53 -16.020 -0.535 -0.562 384 HA VAL 53 HA VAL 53 -14.110 -1.188 1.572 385 HB VAL 53 HB VAL 53 -13.684 -1.520 -1.403 386 1HG1 VAL 53 1HG1 VAL 53 -11.907 -1.551 0.938 387 2HG1 VAL 53 2HG1 VAL 53 -11.761 -2.996 -0.091 388 3HG1 VAL 53 3HG1 VAL 53 -11.526 -1.376 -0.792 389 1HG2 VAL 53 1HG2 VAL 53 -15.294 -3.146 -0.071 390 2HG2 VAL 53 2HG2 VAL 53 -14.114 -3.775 -1.246 391 3HG2 VAL 53 3HG2 VAL 53 -13.755 -3.838 0.496 392 HA PRO 54 HA PRO 54 -13.638 3.147 0.722 393 1HB PRO 54 1HB PRO 54 -12.906 3.876 3.252 394 2HB PRO 54 2HB PRO 54 -14.571 3.854 2.704 395 1HG PRO 54 1HG PRO 54 -13.178 1.944 4.479 396 2HG PRO 54 2HG PRO 54 -14.900 2.186 4.263 397 1HD PRO 54 1HD PRO 54 -13.320 0.046 3.190 398 2HD PRO 54 2HD PRO 54 -15.017 0.353 2.880 399 H PHE 55 H PHE 55 -11.750 4.779 1.429 400 HA PHE 55 HA PHE 55 -9.410 3.350 0.496 401 1HB PHE 55 1HB PHE 55 -10.120 5.533 -0.505 402 2HB PHE 55 2HB PHE 55 -10.128 6.284 1.078 403 HD1 PHE 55 1HD PHE 55 -7.552 4.050 -0.416 404 HD2 PHE 55 2HD PHE 55 -8.521 7.960 0.918 405 HE1 PHE 55 1HE PHE 55 -5.164 4.751 -0.737 406 HE2 PHE 55 2HE PHE 55 -6.132 8.661 0.597 407 HZ PHE 55 HZ PHE 55 -4.482 7.049 -0.226 408 H ARG 56 H ARG 56 -10.269 2.660 3.168 409 HA ARG 56 HA ARG 56 -8.830 4.193 5.021 410 1HB ARG 56 1HB ARG 56 -10.435 1.688 5.008 411 2HB ARG 56 2HB ARG 56 -9.161 1.692 6.211 412 1HG ARG 56 1HG ARG 56 -10.838 4.181 5.980 413 2HG ARG 56 2HG ARG 56 -11.599 2.768 6.682 414 1HD ARG 56 1HD ARG 56 -9.033 2.900 7.900 415 2HD ARG 56 2HD ARG 56 -9.600 4.558 7.856 416 HE ARG 56 HE ARG 56 -10.569 2.535 9.607 417 1HH1 ARG 56 2HH2 ARG 56 -11.841 5.052 7.504 418 2HH1 ARG 56 1HH2 ARG 56 -13.283 5.281 8.436 419 1HH2 ARG 56 2HH1 ARG 56 -12.470 2.836 10.838 420 2HH2 ARG 56 1HH1 ARG 56 -13.643 4.012 10.346 421 H ARG 57 H ARG 57 -7.285 2.601 6.601 422 HA ARG 57 HA ARG 57 -4.989 2.291 5.049 423 1HB ARG 57 1HB ARG 57 -5.644 1.394 7.900 424 2HB ARG 57 2HB ARG 57 -4.035 1.313 7.211 425 1HG ARG 57 1HG ARG 57 -3.723 3.457 7.885 426 2HG ARG 57 2HG ARG 57 -4.870 3.947 6.653 427 1HD ARG 57 1HD ARG 57 -6.731 3.847 8.216 428 2HD ARG 57 2HD ARG 57 -5.758 3.035 9.426 429 HE ARG 57 HE ARG 57 -4.457 5.487 8.822 430 1HH1 ARG 57 2HH2 ARG 57 -7.473 4.389 10.262 431 2HH1 ARG 57 1HH2 ARG 57 -7.645 5.783 11.277 432 1HH2 ARG 57 2HH1 ARG 57 -4.682 7.326 10.160 433 2HH2 ARG 57 1HH1 ARG 57 -6.047 7.465 11.218 434 HA PRO 58 HA PRO 58 -5.347 -1.915 3.948 435 1HB PRO 58 1HB PRO 58 -2.733 -2.605 3.547 436 2HB PRO 58 2HB PRO 58 -3.685 -1.728 2.365 437 1HG PRO 58 1HG PRO 58 -1.567 -0.714 4.162 438 2HG PRO 58 2HG PRO 58 -2.219 0.020 2.710 439 1HD PRO 58 1HD PRO 58 -2.802 0.763 5.418 440 2HD PRO 58 2HD PRO 58 -3.540 1.417 3.970 441 H SER 59 H SER 59 -2.826 -1.352 6.344 442 HA SER 59 HA SER 59 -2.957 -3.986 7.284 443 1HB SER 59 1HB SER 59 -1.622 -3.094 9.203 444 2HB SER 59 2HB SER 59 -0.967 -2.627 7.646 445 HG SER 59 HG SER 59 -2.510 -1.007 9.475 446 H THR 60 H THR 60 -5.531 -3.740 7.220 447 HA THR 60 HA THR 60 -6.408 -3.847 9.891 448 HB THR 60 HB THR 60 -6.304 -1.207 8.722 449 HG1 THR 60 1HG THR 60 -6.294 -1.115 10.931 450 1HG2 THR 60 1HG2 THR 60 -8.743 -0.628 9.304 451 2HG2 THR 60 2HG2 THR 60 -8.522 -1.480 7.757 452 3HG2 THR 60 3HG2 THR 60 -9.094 -2.370 9.188 453 H PHE 61 H PHE 61 -7.274 -3.296 6.440 454 HA PHE 61 HA PHE 61 -9.842 -4.276 6.547 455 1HB PHE 61 1HB PHE 61 -7.558 -4.275 4.511 456 2HB PHE 61 2HB PHE 61 -9.096 -4.996 4.078 457 HD1 PHE 61 1HD PHE 61 -11.093 -3.229 5.133 458 HD2 PHE 61 2HD PHE 61 -7.330 -2.255 3.432 459 HE1 PHE 61 1HE PHE 61 -11.971 -0.968 4.486 460 HE2 PHE 61 2HE PHE 61 -8.207 0.006 2.784 461 HZ PHE 61 HZ PHE 61 -10.517 0.622 3.319 462 H GLY 62 H GLY 62 -10.683 -6.387 5.661 463 1HA GLY 62 1HA GLY 62 -9.629 -8.558 7.119 464 2HA GLY 62 2HA GLY 62 -10.884 -8.614 5.897 465 H ILE 63 H ILE 63 -9.432 -10.784 5.742 466 HA ILE 63 HA ILE 63 -6.994 -10.501 4.322 467 HB ILE 63 HB ILE 63 -8.815 -12.784 5.017 468 1HG1 ILE 63 1HG1 ILE 63 -5.912 -12.550 5.733 469 2HG1 ILE 63 2HG1 ILE 63 -7.076 -11.551 6.581 470 1HG2 ILE 63 1HG2 ILE 63 -6.251 -13.042 3.425 471 2HG2 ILE 63 2HG2 ILE 63 -7.334 -14.350 3.958 472 3HG2 ILE 63 3HG2 ILE 63 -7.888 -13.178 2.739 473 1HD1 ILE 63 1HD1 ILE 63 -8.070 -14.291 6.346 474 2HD1 ILE 63 2HD1 ILE 63 -6.465 -14.255 7.115 475 3HD1 ILE 63 3HD1 ILE 63 -7.806 -13.311 7.808 476 HA PRO 64 HA PRO 64 -9.874 -11.418 0.675 477 1HB PRO 64 1HB PRO 64 -12.567 -11.066 0.977 478 2HB PRO 64 2HB PRO 64 -11.784 -12.627 1.113 479 1HG PRO 64 1HG PRO 64 -12.845 -10.892 3.258 480 2HG PRO 64 2HG PRO 64 -12.457 -12.600 3.319 481 1HD PRO 64 1HD PRO 64 -10.896 -10.446 4.393 482 2HD PRO 64 2HD PRO 64 -10.454 -12.141 4.351 483 H ARG 65 H ARG 65 -11.349 -8.919 2.684 484 HA ARG 65 HA ARG 65 -12.008 -7.204 0.727 485 1HB ARG 65 1HB ARG 65 -11.506 -7.078 3.586 486 2HB ARG 65 2HB ARG 65 -10.863 -5.626 2.845 487 1HG ARG 65 1HG ARG 65 -13.248 -5.743 1.537 488 2HG ARG 65 2HG ARG 65 -13.706 -6.582 3.006 489 1HD ARG 65 1HD ARG 65 -12.218 -3.930 3.131 490 2HD ARG 65 2HD ARG 65 -13.959 -3.973 2.932 491 HE ARG 65 HE ARG 65 -13.236 -5.702 5.104 492 1HH1 ARG 65 2HH2 ARG 65 -13.401 -2.281 4.296 493 2HH1 ARG 65 1HH2 ARG 65 -13.641 -1.775 5.935 494 1HH2 ARG 65 2HH1 ARG 65 -13.553 -5.035 7.267 495 2HH2 ARG 65 1HH1 ARG 65 -13.728 -3.352 7.636 496 H LEU 66 H LEU 66 -8.779 -7.737 2.237 497 HA LEU 66 HA LEU 66 -7.451 -5.573 1.141 498 1HB LEU 66 1HB LEU 66 -6.696 -8.249 2.200 499 2HB LEU 66 2HB LEU 66 -5.490 -7.377 1.274 500 HG LEU 66 HG LEU 66 -6.923 -6.071 3.585 501 1HD1 LEU 66 1HD1 LEU 66 -5.411 -8.384 3.871 502 2HD1 LEU 66 2HD1 LEU 66 -4.270 -7.071 4.247 503 3HD1 LEU 66 3HD1 LEU 66 -5.804 -7.201 5.142 504 1HD2 LEU 66 1HD2 LEU 66 -5.671 -4.635 2.022 505 2HD2 LEU 66 2HD2 LEU 66 -4.967 -4.637 3.657 506 3HD2 LEU 66 3HD2 LEU 66 -4.197 -5.576 2.355 507 H GLU 67 H GLU 67 -7.614 -8.979 -0.127 508 HA GLU 67 HA GLU 67 -6.274 -8.520 -2.438 509 1HB GLU 67 1HB GLU 67 -8.442 -10.457 -1.632 510 2HB GLU 67 2HB GLU 67 -7.934 -10.422 -3.309 511 1HG GLU 67 1HG GLU 67 -5.504 -10.390 -1.900 512 2HG GLU 67 2HG GLU 67 -6.508 -11.461 -0.943 513 H LYS 68 H LYS 68 -9.776 -8.018 -1.723 514 HA LYS 68 HA LYS 68 -10.719 -7.514 -4.225 515 1HB LYS 68 1HB LYS 68 -11.467 -6.041 -1.681 516 2HB LYS 68 2HB LYS 68 -12.444 -6.169 -3.129 517 1HG LYS 68 1HG LYS 68 -11.849 -8.836 -2.609 518 2HG LYS 68 2HG LYS 68 -11.968 -8.174 -0.991 519 1HD LYS 68 1HD LYS 68 -14.228 -8.161 -1.142 520 2HD LYS 68 2HD LYS 68 -14.145 -7.071 -2.511 521 1HE LYS 68 1HE LYS 68 -15.035 -8.779 -3.731 522 2HE LYS 68 2HE LYS 68 -13.438 -9.498 -3.675 523 1HZ LYS 68 1HZ LYS 68 -15.787 -10.365 -2.423 524 2HZ LYS 68 2HZ LYS 68 -14.350 -11.131 -2.541 525 3HZ LYS 68 3HZ LYS 68 -14.636 -10.119 -1.292 526 H ILE 69 H ILE 69 -9.535 -4.942 -1.937 527 HA ILE 69 HA ILE 69 -9.578 -2.827 -3.574 528 HB ILE 69 HB ILE 69 -7.617 -3.669 -1.465 529 1HG1 ILE 69 1HG1 ILE 69 -9.303 -1.248 -1.206 530 2HG1 ILE 69 2HG1 ILE 69 -10.179 -2.762 -1.294 531 1HG2 ILE 69 1HG2 ILE 69 -6.109 -2.210 -2.198 532 2HG2 ILE 69 2HG2 ILE 69 -7.210 -1.594 -3.454 533 3HG2 ILE 69 3HG2 ILE 69 -7.276 -0.923 -1.806 534 1HD1 ILE 69 1HD1 ILE 69 -8.131 -1.877 0.753 535 2HD1 ILE 69 2HD1 ILE 69 -9.754 -2.561 1.013 536 3HD1 ILE 69 3HD1 ILE 69 -8.421 -3.612 0.478 537 H LEU 70 H LEU 70 -6.855 -5.223 -3.392 538 HA LEU 70 HA LEU 70 -5.310 -4.079 -5.375 539 1HB LEU 70 1HB LEU 70 -5.547 -6.722 -4.068 540 2HB LEU 70 2HB LEU 70 -4.740 -6.710 -5.624 541 HG LEU 70 HG LEU 70 -3.895 -4.719 -3.547 542 1HD1 LEU 70 1HD1 LEU 70 -4.045 -6.886 -2.362 543 2HD1 LEU 70 2HD1 LEU 70 -2.949 -7.597 -3.571 544 3HD1 LEU 70 3HD1 LEU 70 -2.376 -6.286 -2.513 545 1HD2 LEU 70 1HD2 LEU 70 -2.967 -4.561 -5.800 546 2HD2 LEU 70 2HD2 LEU 70 -1.711 -5.003 -4.618 547 3HD2 LEU 70 3HD2 LEU 70 -2.395 -6.244 -5.695 548 H ARG 71 H ARG 71 -7.722 -6.784 -5.675 549 HA ARG 71 HA ARG 71 -7.586 -7.306 -8.240 550 1HB ARG 71 1HB ARG 71 -9.757 -7.264 -6.243 551 2HB ARG 71 2HB ARG 71 -10.377 -7.065 -7.870 552 1HG ARG 71 1HG ARG 71 -9.629 -9.170 -8.575 553 2HG ARG 71 2HG ARG 71 -8.304 -9.206 -7.428 554 1HD ARG 71 1HD ARG 71 -9.779 -10.750 -6.456 555 2HD ARG 71 2HD ARG 71 -10.218 -9.287 -5.599 556 HE ARG 71 HE ARG 71 -11.827 -9.346 -7.921 557 1HH1 ARG 71 2HH2 ARG 71 -11.360 -11.310 -5.039 558 2HH1 ARG 71 1HH2 ARG 71 -12.987 -11.903 -5.024 559 1HH2 ARG 71 2HH1 ARG 71 -13.974 -10.128 -7.902 560 2HH2 ARG 71 1HH1 ARG 71 -14.484 -11.227 -6.663 561 H ASN 72 H ASN 72 -9.012 -4.347 -6.790 562 HA ASN 72 HA ASN 72 -9.567 -3.395 -9.482 563 1HB ASN 72 1HB ASN 72 -10.621 -2.648 -6.726 564 2HB ASN 72 2HB ASN 72 -10.767 -1.508 -8.049 565 1HD2 ASN 72 1HD2 ASN 72 -13.013 -2.354 -6.917 566 2HD2 ASN 72 2HD2 ASN 72 -13.894 -3.454 -7.924 567 H LYS 73 H LYS 73 -6.891 -3.393 -9.030 568 HA LYS 73 HA LYS 73 -6.105 -0.956 -7.685 569 1HB LYS 73 1HB LYS 73 -3.841 -1.731 -8.055 570 2HB LYS 73 2HB LYS 73 -4.810 -3.022 -7.374 571 1HG LYS 73 1HG LYS 73 -5.072 -4.077 -9.572 572 2HG LYS 73 2HG LYS 73 -4.313 -2.714 -10.370 573 1HD LYS 73 1HD LYS 73 -2.290 -3.694 -10.095 574 2HD LYS 73 2HD LYS 73 -2.473 -3.562 -8.358 575 1HE LYS 73 1HE LYS 73 -3.071 -5.776 -8.110 576 2HE LYS 73 2HE LYS 73 -4.013 -5.799 -9.587 577 1HZ LYS 73 1HZ LYS 73 -1.616 -5.542 -10.598 578 2HZ LYS 73 2HZ LYS 73 -1.199 -6.308 -9.217 579 3HZ LYS 73 3HZ LYS 73 -2.257 -7.003 -10.249 580 H ALA 74 H ALA 74 -7.217 -1.928 -10.775 581 HA ALA 74 HA ALA 74 -5.681 0.119 -12.161 582 1HB ALA 74 1HB ALA 74 -6.293 -0.978 -14.108 583 2HB ALA 74 2HB ALA 74 -6.334 -2.333 -12.955 584 3HB ALA 74 3HB ALA 74 -7.847 -1.530 -13.438 585 H LYS 75 H LYS 75 -9.015 -0.684 -11.073 586 HA LYS 75 HA LYS 75 -10.198 1.554 -12.335 587 1HB LYS 75 1HB LYS 75 -11.197 -0.112 -10.006 588 2HB LYS 75 2HB LYS 75 -12.159 0.970 -10.993 589 1HG LYS 75 1HG LYS 75 -10.566 -1.265 -12.292 590 2HG LYS 75 2HG LYS 75 -12.123 -1.604 -11.562 591 1HD LYS 75 1HD LYS 75 -11.984 0.760 -13.414 592 2HD LYS 75 2HD LYS 75 -11.855 -0.825 -14.149 593 1HE LYS 75 1HE LYS 75 -14.054 -1.338 -13.740 594 2HE LYS 75 2HE LYS 75 -14.018 -0.653 -12.127 595 1HZ LYS 75 1HZ LYS 75 -15.425 0.590 -13.634 596 2HZ LYS 75 2HZ LYS 75 -14.202 1.522 -13.084 597 3HZ LYS 75 3HZ LYS 75 -14.153 0.925 -14.603 598 H ILE 76 H ILE 76 -8.613 0.951 -9.193 599 HA ILE 76 HA ILE 76 -9.515 3.168 -7.822 600 HB ILE 76 HB ILE 76 -7.083 1.443 -7.724 601 1HG1 ILE 76 1HG1 ILE 76 -9.143 2.104 -5.605 602 2HG1 ILE 76 2HG1 ILE 76 -9.340 0.809 -6.769 603 1HG2 ILE 76 1HG2 ILE 76 -6.630 2.872 -5.524 604 2HG2 ILE 76 2HG2 ILE 76 -5.888 3.273 -7.091 605 3HG2 ILE 76 3HG2 ILE 76 -7.324 4.164 -6.532 606 1HD1 ILE 76 1HD1 ILE 76 -7.094 1.090 -4.723 607 2HD1 ILE 76 2HD1 ILE 76 -8.386 -0.134 -4.737 608 3HD1 ILE 76 3HD1 ILE 76 -7.127 -0.155 -5.995 609 H LYS 77 H LYS 77 -8.820 5.325 -7.621 610 HA LYS 77 HA LYS 77 -6.664 6.220 -9.317 611 1HB LYS 77 1HB LYS 77 -9.085 6.140 -10.525 612 2HB LYS 77 2HB LYS 77 -9.190 7.718 -9.772 613 1HG LYS 77 1HG LYS 77 -7.421 8.597 -11.019 614 2HG LYS 77 2HG LYS 77 -6.619 7.048 -11.184 615 1HD LYS 77 1HD LYS 77 -8.089 6.329 -12.925 616 2HD LYS 77 2HD LYS 77 -9.297 7.535 -12.530 617 1HE LYS 77 1HE LYS 77 -8.360 8.651 -14.314 618 2HE LYS 77 2HE LYS 77 -7.224 9.202 -13.099 619 1HZ LYS 77 1HZ LYS 77 -6.450 8.008 -15.270 620 2HZ LYS 77 2HZ LYS 77 -5.632 7.829 -13.869 621 3HZ LYS 77 3HZ LYS 77 -6.663 6.664 -14.367 622 H PHE 78 H PHE 78 -5.632 7.982 -8.430 623 HA PHE 78 HA PHE 78 -6.741 8.882 -5.894 624 1HB PHE 78 1HB PHE 78 -4.060 8.815 -7.338 625 2HB PHE 78 2HB PHE 78 -4.269 10.002 -6.066 626 HD1 PHE 78 1HD PHE 78 -4.881 6.352 -6.606 627 HD2 PHE 78 2HD PHE 78 -3.576 9.400 -3.958 628 HE1 PHE 78 1HE PHE 78 -4.307 4.614 -4.889 629 HE2 PHE 78 2HE PHE 78 -3.003 7.662 -2.240 630 HZ PHE 78 HZ PHE 78 -3.375 5.290 -2.726 631 H ILE 79 H ILE 79 -7.589 10.899 -5.597 632 HA ILE 79 HA ILE 79 -7.217 12.788 -7.815 633 HB ILE 79 HB ILE 79 -9.515 12.731 -5.868 634 1HG1 ILE 79 1HG1 ILE 79 -9.534 10.592 -6.992 635 2HG1 ILE 79 2HG1 ILE 79 -10.825 11.598 -7.620 636 1HG2 ILE 79 1HG2 ILE 79 -10.371 13.828 -8.241 637 2HG2 ILE 79 2HG2 ILE 79 -9.856 14.733 -6.798 638 3HG2 ILE 79 3HG2 ILE 79 -8.699 14.425 -8.115 639 1HD1 ILE 79 1HD1 ILE 79 -9.913 10.798 -9.610 640 2HD1 ILE 79 2HD1 ILE 79 -8.981 12.303 -9.421 641 3HD1 ILE 79 3HD1 ILE 79 -8.259 10.744 -8.953 642 H ILE 80 H ILE 80 -6.286 14.744 -7.394 643 HA ILE 80 HA ILE 80 -5.964 15.442 -4.563 644 HB ILE 80 HB ILE 80 -3.827 15.818 -6.654 645 1HG1 ILE 80 1HG1 ILE 80 -4.451 13.447 -4.943 646 2HG1 ILE 80 2HG1 ILE 80 -3.822 13.519 -6.577 647 1HG2 ILE 80 1HG2 ILE 80 -3.405 15.745 -3.684 648 2HG2 ILE 80 2HG2 ILE 80 -2.452 16.550 -4.954 649 3HG2 ILE 80 3HG2 ILE 80 -4.025 17.222 -4.460 650 1HD1 ILE 80 1HD1 ILE 80 -2.358 13.807 -3.960 651 2HD1 ILE 80 2HD1 ILE 80 -1.894 12.906 -5.423 652 3HD1 ILE 80 3HD1 ILE 80 -1.728 14.678 -5.378 653 H LYS 81 H LYS 81 -7.142 17.246 -4.223 654 HA LYS 81 HA LYS 81 -7.539 19.055 -6.464 655 1HB LYS 81 1HB LYS 81 -8.802 19.167 -3.715 656 2HB LYS 81 2HB LYS 81 -9.327 19.991 -5.170 657 1HG LYS 81 1HG LYS 81 -9.125 17.154 -5.738 658 2HG LYS 81 2HG LYS 81 -10.054 17.363 -4.267 659 1HD LYS 81 1HD LYS 81 -11.846 18.146 -5.421 660 2HD LYS 81 2HD LYS 81 -10.872 19.362 -6.223 661 1HE LYS 81 1HE LYS 81 -10.396 16.608 -7.233 662 2HE LYS 81 2HE LYS 81 -12.040 17.167 -7.471 663 1HZ LYS 81 1HZ LYS 81 -11.337 18.875 -8.785 664 2HZ LYS 81 2HZ LYS 81 -9.835 18.942 -8.147 665 3HZ LYS 81 3HZ LYS 81 -10.232 17.739 -9.178 666 H LYS 82 H LYS 82 -5.658 18.667 -3.534 667 HA LYS 82 HA LYS 82 -4.638 21.385 -3.949 668 1HB LYS 82 1HB LYS 82 -5.203 20.057 -1.281 669 2HB LYS 82 2HB LYS 82 -4.349 21.573 -1.490 670 1HG LYS 82 1HG LYS 82 -6.535 22.205 -2.929 671 2HG LYS 82 2HG LYS 82 -7.268 20.958 -1.940 672 1HD LYS 82 1HD LYS 82 -6.889 22.140 0.078 673 2HD LYS 82 2HD LYS 82 -5.593 23.100 -0.607 674 1HE LYS 82 1HE LYS 82 -8.206 23.465 -1.980 675 2HE LYS 82 2HE LYS 82 -8.218 23.955 -0.297 676 1HZ LYS 82 1HZ LYS 82 -7.207 25.370 -2.381 677 2HZ LYS 82 2HZ LYS 82 -6.999 25.707 -0.797 678 3HZ LYS 82 3HZ LYS 82 -5.877 24.834 -1.600 679 HA PRO 83 HA PRO 83 -1.342 18.306 -4.222 680 1HB PRO 83 1HB PRO 83 -0.323 19.079 -6.637 681 2HB PRO 83 2HB PRO 83 -1.500 17.793 -6.461 682 1HG PRO 83 1HG PRO 83 -1.901 20.549 -7.452 683 2HG PRO 83 2HG PRO 83 -2.931 19.147 -7.661 684 1HD PRO 83 1HD PRO 83 -3.350 21.329 -5.847 685 2HD PRO 83 2HD PRO 83 -4.316 19.872 -5.975 686 H GLU 84 H GLU 84 -1.641 21.616 -4.037 687 HA GLU 84 HA GLU 84 1.103 22.223 -4.146 688 1HB GLU 84 1HB GLU 84 0.415 24.421 -3.257 689 2HB GLU 84 2HB GLU 84 -0.649 23.915 -4.553 690 1HG GLU 84 1HG GLU 84 -1.603 22.944 -1.946 691 2HG GLU 84 2HG GLU 84 -1.419 24.687 -1.949 692 H MET 85 H MET 85 -0.833 20.564 -1.859 693 HA MET 85 HA MET 85 0.837 21.398 0.356 694 1HB MET 85 1HB MET 85 -1.770 19.862 0.028 695 2HB MET 85 2HB MET 85 -0.864 19.675 1.516 696 1HG MET 85 1HG MET 85 -1.077 22.509 0.767 697 2HG MET 85 2HG MET 85 -2.662 21.769 0.883 698 1HE MET 85 1HE MET 85 -2.079 19.426 3.256 699 2HE MET 85 2HE MET 85 -2.918 20.463 4.435 700 3HE MET 85 3HE MET 85 -3.482 20.396 2.748 701 H PHE 86 H PHE 86 0.335 18.766 -1.929 702 HA PHE 86 HA PHE 86 1.478 16.705 -0.402 703 1HB PHE 86 1HB PHE 86 0.619 17.351 -3.178 704 2HB PHE 86 2HB PHE 86 2.003 16.276 -3.166 705 HD1 PHE 86 1HD PHE 86 -1.299 16.622 -1.447 706 HD2 PHE 86 2HD PHE 86 1.585 14.013 -3.146 707 HE1 PHE 86 1HE PHE 86 -2.817 14.669 -1.025 708 HE2 PHE 86 2HE PHE 86 0.066 12.060 -2.724 709 HZ PHE 86 HZ PHE 86 -2.117 12.411 -1.668 710 H GLU 87 H GLU 87 2.826 19.407 -2.241 711 HA GLU 87 HA GLU 87 5.210 18.549 -3.037 712 1HB GLU 87 1HB GLU 87 4.034 21.063 -2.356 713 2HB GLU 87 2HB GLU 87 5.623 21.046 -1.617 714 1HG GLU 87 1HG GLU 87 6.052 19.937 -4.177 715 2HG GLU 87 2HG GLU 87 4.896 21.223 -4.462 716 H THR 88 H THR 88 4.630 19.885 0.304 717 HA THR 88 HA THR 88 7.095 19.307 1.361 718 HB THR 88 HB THR 88 4.276 19.427 2.529 719 HG1 THR 88 1HG THR 88 4.912 21.550 2.502 720 1HG2 THR 88 1HG2 THR 88 6.676 18.434 3.828 721 2HG2 THR 88 2HG2 THR 88 6.306 20.053 4.468 722 3HG2 THR 88 3HG2 THR 88 5.085 18.760 4.558 723 H ALA 89 H ALA 89 4.404 17.098 0.655 724 HA ALA 89 HA ALA 89 5.524 14.971 2.203 725 1HB ALA 89 1HB ALA 89 3.043 15.534 1.290 726 2HB ALA 89 2HB ALA 89 3.587 14.444 -0.008 727 3HB ALA 89 3HB ALA 89 3.576 13.882 1.681 728 H ILE 90 H ILE 90 5.411 15.931 -1.281 729 HA ILE 90 HA ILE 90 6.679 13.681 -2.287 730 HB ILE 90 HB ILE 90 6.709 16.537 -3.269 731 1HG1 ILE 90 1HG1 ILE 90 4.929 14.334 -4.291 732 2HG1 ILE 90 2HG1 ILE 90 4.474 15.247 -2.866 733 1HG2 ILE 90 1HG2 ILE 90 7.881 14.050 -4.342 734 2HG2 ILE 90 2HG2 ILE 90 6.898 14.986 -5.494 735 3HG2 ILE 90 3HG2 ILE 90 8.278 15.754 -4.673 736 1HD1 ILE 90 1HD1 ILE 90 3.926 17.087 -4.087 737 2HD1 ILE 90 2HD1 ILE 90 5.424 16.993 -5.044 738 3HD1 ILE 90 3HD1 ILE 90 4.009 16.017 -5.507 739 H LYS 91 H LYS 91 7.929 16.531 -0.569 740 HA LYS 91 HA LYS 91 10.636 16.084 -1.296 741 1HB LYS 91 1HB LYS 91 9.345 17.710 0.913 742 2HB LYS 91 2HB LYS 91 11.066 17.701 0.584 743 1HG LYS 91 1HG LYS 91 10.109 18.164 -1.945 744 2HG LYS 91 2HG LYS 91 8.835 18.912 -1.002 745 1HD LYS 91 1HD LYS 91 10.322 20.704 -1.217 746 2HD LYS 91 2HD LYS 91 10.834 20.042 0.322 747 1HE LYS 91 1HE LYS 91 12.760 19.004 -0.611 748 2HE LYS 91 2HE LYS 91 12.111 19.036 -2.239 749 1HZ LYS 91 1HZ LYS 91 13.806 20.831 -1.268 750 2HZ LYS 91 2HZ LYS 91 12.808 21.114 -2.529 751 3HZ LYS 91 3HZ LYS 91 12.394 21.615 -1.031 752 H GLU 92 H GLU 92 9.294 15.969 2.062 753 HA GLU 92 HA GLU 92 11.186 14.498 3.179 754 1HB GLU 92 1HB GLU 92 8.218 14.667 3.629 755 2HB GLU 92 2HB GLU 92 9.099 13.442 4.519 756 1HG GLU 92 1HG GLU 92 10.715 15.740 4.761 757 2HG GLU 92 2HG GLU 92 9.081 16.363 4.887 758 H SER 93 H SER 93 8.119 12.918 2.007 759 HA SER 93 HA SER 93 7.726 10.965 1.149 760 1HB SER 93 1HB SER 93 9.024 11.229 -0.754 761 2HB SER 93 2HB SER 93 10.504 11.479 0.151 762 HG SER 93 HG SER 93 9.142 8.947 -0.227 763 H SER 94 H SER 94 11.134 10.005 1.727 764 HA SER 94 HA SER 94 10.172 8.422 3.981 765 1HB SER 94 1HB SER 94 10.916 7.328 1.608 766 2HB SER 94 2HB SER 94 12.493 7.420 2.367 767 HG SER 94 HG SER 94 10.750 6.456 4.215 768 H GLY 95 H GLY 95 11.606 8.252 5.792 769 1HA GLY 95 1HA GLY 95 14.290 9.043 5.796 770 2HA GLY 95 2HA GLY 95 13.322 10.440 6.221 771 HA PRO 96 HA PRO 96 12.842 7.063 9.551 772 1HB PRO 96 1HB PRO 96 14.866 5.239 9.753 773 2HB PRO 96 2HB PRO 96 13.356 4.907 8.928 774 1HG PRO 96 1HG PRO 96 16.016 5.474 7.769 775 2HG PRO 96 2HG PRO 96 14.621 4.735 7.007 776 1HD PRO 96 1HD PRO 96 15.543 7.429 6.656 777 2HD PRO 96 2HD PRO 96 14.085 6.724 5.986 778 H SER 97 H SER 97 13.399 7.256 11.736 779 HA SER 97 HA SER 97 15.123 9.410 12.150 780 1HB SER 97 1HB SER 97 13.105 8.376 13.574 781 2HB SER 97 2HB SER 97 14.400 7.517 14.384 782 HG SER 97 HG SER 97 15.078 10.170 14.089 783 H SER 98 H SER 98 17.210 9.471 13.231 784 HA SER 98 HA SER 98 18.492 7.072 13.947 785 1HB SER 98 1HB SER 98 18.577 7.528 11.222 786 2HB SER 98 2HB SER 98 20.049 8.323 11.744 787 HG SER 98 HG SER 98 20.280 6.002 11.214 788 H GLY 99 H GLY 99 20.779 7.535 14.730 789 1HA GLY 99 1HA GLY 99 22.273 8.796 15.840 790 2HA GLY 99 2HA GLY 99 21.832 10.140 14.806 Start of MODEL 11 1 1H GLY 1 H GLY 1 9.498 -11.730 10.142 2 1HA GLY 1 1HA GLY 1 8.136 -13.076 11.668 3 2HA GLY 1 2HA GLY 1 7.655 -11.586 12.454 4 H SER 2 H SER 2 7.194 -13.706 9.677 5 HA SER 2 HA SER 2 4.735 -12.355 9.137 6 1HB SER 2 1HB SER 2 6.862 -12.614 6.964 7 2HB SER 2 2HB SER 2 5.203 -12.123 6.685 8 HG SER 2 HG SER 2 7.236 -10.731 8.193 9 H SER 3 H SER 3 3.196 -13.907 8.677 10 HA SER 3 HA SER 3 3.750 -16.123 7.085 11 1HB SER 3 1HB SER 3 4.698 -16.508 9.664 12 2HB SER 3 2HB SER 3 3.093 -17.205 9.768 13 HG SER 3 HG SER 3 3.744 -18.881 8.608 14 H GLY 4 H GLY 4 1.801 -15.397 6.081 15 1HA GLY 4 1HA GLY 4 -0.446 -15.920 5.791 16 2HA GLY 4 2HA GLY 4 -0.630 -16.177 7.515 17 H SER 5 H SER 5 -1.769 -14.253 5.192 18 HA SER 5 HA SER 5 -2.466 -12.195 4.994 19 1HB SER 5 1HB SER 5 -3.585 -11.232 7.016 20 2HB SER 5 2HB SER 5 -3.991 -12.916 6.750 21 HG SER 5 HG SER 5 -2.805 -11.757 8.931 22 H SER 6 H SER 6 -0.365 -11.324 4.320 23 HA SER 6 HA SER 6 0.446 -9.210 6.015 24 1HB SER 6 1HB SER 6 2.033 -11.711 5.933 25 2HB SER 6 2HB SER 6 2.974 -10.280 5.559 26 HG SER 6 HG SER 6 2.711 -9.505 7.581 27 H GLY 7 H GLY 7 1.439 -11.346 3.245 28 1HA GLY 7 1HA GLY 7 2.864 -9.560 1.734 29 2HA GLY 7 2HA GLY 7 1.878 -10.859 1.092 30 H LEU 8 H LEU 8 -0.707 -10.234 1.456 31 HA LEU 8 HA LEU 8 -1.341 -8.458 -0.467 32 1HB LEU 8 1HB LEU 8 -2.771 -9.493 1.938 33 2HB LEU 8 2HB LEU 8 -3.518 -8.202 1.018 34 HG LEU 8 HG LEU 8 -2.605 -10.806 -0.226 35 1HD1 LEU 8 1HD1 LEU 8 -4.922 -11.556 -0.138 36 2HD1 LEU 8 2HD1 LEU 8 -4.288 -11.264 1.499 37 3HD1 LEU 8 3HD1 LEU 8 -5.384 -10.081 0.745 38 1HD2 LEU 8 1HD2 LEU 8 -2.846 -8.845 -1.735 39 2HD2 LEU 8 2HD2 LEU 8 -3.971 -10.175 -2.103 40 3HD2 LEU 8 3HD2 LEU 8 -4.555 -8.726 -1.250 41 H LYS 9 H LYS 9 -1.369 -7.689 3.089 42 HA LYS 9 HA LYS 9 -1.941 -5.064 2.971 43 1HB LYS 9 1HB LYS 9 -0.453 -6.822 4.804 44 2HB LYS 9 2HB LYS 9 0.001 -5.134 4.926 45 1HG LYS 9 1HG LYS 9 -2.251 -4.445 5.413 46 2HG LYS 9 2HG LYS 9 -2.924 -5.971 4.875 47 1HD LYS 9 1HD LYS 9 -1.248 -6.879 6.842 48 2HD LYS 9 2HD LYS 9 -1.609 -5.286 7.477 49 1HE LYS 9 1HE LYS 9 -3.810 -5.807 7.914 50 2HE LYS 9 2HE LYS 9 -3.990 -6.747 6.447 51 1HZ LYS 9 1HZ LYS 9 -3.965 -8.409 7.925 52 2HZ LYS 9 2HZ LYS 9 -2.342 -8.289 7.786 53 3HZ LYS 9 3HZ LYS 9 -3.107 -7.596 9.051 54 H GLN 10 H GLN 10 1.419 -6.437 2.748 55 HA GLN 10 HA GLN 10 2.665 -4.055 2.280 56 1HB GLN 10 1HB GLN 10 3.365 -6.787 2.330 57 2HB GLN 10 2HB GLN 10 3.861 -6.245 0.739 58 1HG GLN 10 1HG GLN 10 4.633 -4.167 2.534 59 2HG GLN 10 2HG GLN 10 5.069 -5.666 3.331 60 1HE2 GLN 10 1HE2 GLN 10 5.127 -4.166 0.101 61 2HE2 GLN 10 2HE2 GLN 10 6.701 -4.716 -0.370 62 H LYS 11 H LYS 11 1.358 -6.439 -0.128 63 HA LYS 11 HA LYS 11 2.093 -5.049 -2.401 64 1HB LYS 11 1HB LYS 11 -0.252 -6.903 -1.895 65 2HB LYS 11 2HB LYS 11 0.248 -6.356 -3.483 66 1HG LYS 11 1HG LYS 11 2.168 -7.656 -3.490 67 2HG LYS 11 2HG LYS 11 2.420 -7.492 -1.763 68 1HD LYS 11 1HD LYS 11 0.057 -8.929 -1.817 69 2HD LYS 11 2HD LYS 11 0.845 -9.529 -3.263 70 1HE LYS 11 1HE LYS 11 2.464 -9.325 -0.717 71 2HE LYS 11 2HE LYS 11 1.319 -10.642 -0.877 72 1HZ LYS 11 1HZ LYS 11 2.469 -10.876 -3.175 73 2HZ LYS 11 2HZ LYS 11 3.707 -10.110 -2.432 74 3HZ LYS 11 3HZ LYS 11 3.148 -11.526 -1.839 75 H VAL 12 H VAL 12 -1.107 -5.005 -0.672 76 HA VAL 12 HA VAL 12 -2.199 -2.983 -2.235 77 HB VAL 12 HB VAL 12 -2.732 -3.804 0.626 78 1HG1 VAL 12 1HG1 VAL 12 -5.016 -2.807 0.181 79 2HG1 VAL 12 2HG1 VAL 12 -3.688 -1.634 0.350 80 3HG1 VAL 12 3HG1 VAL 12 -4.315 -2.042 -1.265 81 1HG2 VAL 12 1HG2 VAL 12 -4.777 -4.862 -0.676 82 2HG2 VAL 12 2HG2 VAL 12 -3.644 -4.810 -2.048 83 3HG2 VAL 12 3HG2 VAL 12 -3.215 -5.710 -0.573 84 H GLU 13 H GLU 13 0.156 -2.929 0.397 85 HA GLU 13 HA GLU 13 -0.238 -0.282 1.156 86 1HB GLU 13 1HB GLU 13 1.664 -2.435 1.680 87 2HB GLU 13 2HB GLU 13 2.502 -0.902 1.545 88 1HG GLU 13 1HG GLU 13 0.050 -0.561 3.095 89 2HG GLU 13 2HG GLU 13 1.007 -1.864 3.771 90 H ASN 14 H ASN 14 2.547 -1.643 -0.758 91 HA ASN 14 HA ASN 14 3.527 0.727 -1.601 92 1HB ASN 14 1HB ASN 14 3.614 -2.098 -2.564 93 2HB ASN 14 2HB ASN 14 3.990 -0.914 -3.801 94 1HD2 ASN 14 1HD2 ASN 14 4.911 -2.330 -0.766 95 2HD2 ASN 14 2HD2 ASN 14 6.511 -1.675 -0.651 96 H LEU 15 H LEU 15 0.784 -1.222 -2.839 97 HA LEU 15 HA LEU 15 0.419 -0.156 -5.324 98 1HB LEU 15 1HB LEU 15 -0.974 -1.888 -4.895 99 2HB LEU 15 2HB LEU 15 -1.305 -1.381 -3.251 100 HG LEU 15 HG LEU 15 -2.798 0.406 -4.120 101 1HD1 LEU 15 1HD1 LEU 15 -2.054 0.945 -6.252 102 2HD1 LEU 15 2HD1 LEU 15 -1.971 -0.756 -6.768 103 3HD1 LEU 15 3HD1 LEU 15 -3.552 0.037 -6.568 104 1HD2 LEU 15 1HD2 LEU 15 -4.509 -1.317 -5.150 105 2HD2 LEU 15 2HD2 LEU 15 -3.297 -2.502 -4.608 106 3HD2 LEU 15 3HD2 LEU 15 -4.041 -1.390 -3.434 107 H PHE 16 H PHE 16 -1.061 1.067 -2.233 108 HA PHE 16 HA PHE 16 -2.204 3.316 -3.350 109 1HB PHE 16 1HB PHE 16 -0.963 2.742 -0.593 110 2HB PHE 16 2HB PHE 16 -2.004 4.118 -0.899 111 HD1 PHE 16 1HD PHE 16 -4.090 2.889 -2.609 112 HD2 PHE 16 2HD PHE 16 -2.180 1.420 0.884 113 HE1 PHE 16 1HE PHE 16 -6.103 1.477 -2.102 114 HE2 PHE 16 2HE PHE 16 -4.193 0.009 1.391 115 HZ PHE 16 HZ PHE 16 -6.130 0.054 -0.108 116 H ASN 17 H ASN 17 1.048 2.896 -1.798 117 HA ASN 17 HA ASN 17 1.838 5.481 -1.848 118 1HB ASN 17 1HB ASN 17 3.372 2.878 -2.267 119 2HB ASN 17 2HB ASN 17 4.215 4.414 -2.238 120 1HD2 ASN 17 1HD2 ASN 17 4.774 5.273 -0.370 121 2HD2 ASN 17 2HD2 ASN 17 4.251 4.764 1.201 122 H GLU 18 H GLU 18 2.618 2.924 -4.341 123 HA GLU 18 HA GLU 18 3.835 4.457 -6.166 124 1HB GLU 18 1HB GLU 18 2.417 1.907 -6.145 125 2HB GLU 18 2HB GLU 18 2.184 2.714 -7.683 126 1HG GLU 18 1HG GLU 18 4.973 2.922 -6.758 127 2HG GLU 18 2HG GLU 18 4.458 1.252 -6.890 128 H LYS 19 H LYS 19 0.261 3.747 -6.145 129 HA LYS 19 HA LYS 19 -0.468 5.332 -8.232 130 1HB LYS 19 1HB LYS 19 -1.974 4.811 -5.651 131 2HB LYS 19 2HB LYS 19 -2.687 5.451 -7.118 132 1HG LYS 19 1HG LYS 19 -1.177 2.800 -7.036 133 2HG LYS 19 2HG LYS 19 -2.907 2.914 -6.779 134 1HD LYS 19 1HD LYS 19 -1.859 4.306 -9.217 135 2HD LYS 19 2HD LYS 19 -1.764 2.557 -9.240 136 1HE LYS 19 1HE LYS 19 -3.957 2.512 -9.825 137 2HE LYS 19 2HE LYS 19 -4.346 3.095 -8.219 138 1HZ LYS 19 1HZ LYS 19 -4.580 4.447 -10.627 139 2HZ LYS 19 2HZ LYS 19 -4.984 4.973 -9.135 140 3HZ LYS 19 3HZ LYS 19 -3.486 5.255 -9.723 141 H CYS 20 H CYS 20 0.123 6.288 -4.803 142 HA CYS 20 HA CYS 20 -0.763 8.816 -4.797 143 1HB CYS 20 1HB CYS 20 0.819 7.314 -3.136 144 2HB CYS 20 2HB CYS 20 1.946 8.558 -3.640 145 HG CYS 20 HG CYS 20 0.669 10.595 -2.914 146 H GLY 21 H GLY 21 2.728 8.043 -5.497 147 1HA GLY 21 1HA GLY 21 3.530 10.410 -6.540 148 2HA GLY 21 2HA GLY 21 4.135 8.852 -7.068 149 H GLU 22 H GLU 22 1.800 7.746 -8.287 150 HA GLU 22 HA GLU 22 2.003 8.824 -10.797 151 1HB GLU 22 1HB GLU 22 0.820 6.587 -9.646 152 2HB GLU 22 2HB GLU 22 -0.572 7.472 -10.240 153 1HG GLU 22 1HG GLU 22 1.666 7.418 -12.178 154 2HG GLU 22 2HG GLU 22 1.084 5.817 -11.769 155 H ALA 23 H ALA 23 -0.235 9.562 -8.109 156 HA ALA 23 HA ALA 23 -2.134 10.992 -9.562 157 1HB ALA 23 1HB ALA 23 -2.885 11.735 -7.436 158 2HB ALA 23 2HB ALA 23 -2.168 10.134 -7.132 159 3HB ALA 23 3HB ALA 23 -1.258 11.609 -6.725 160 H LEU 24 H LEU 24 0.777 12.156 -7.717 161 HA LEU 24 HA LEU 24 0.465 14.805 -8.679 162 1HB LEU 24 1HB LEU 24 2.785 13.411 -7.337 163 2HB LEU 24 2HB LEU 24 2.696 15.132 -7.652 164 HG LEU 24 HG LEU 24 0.323 14.510 -6.266 165 1HD1 LEU 24 1HD1 LEU 24 1.565 13.608 -4.118 166 2HD1 LEU 24 2HD1 LEU 24 0.906 12.499 -5.344 167 3HD1 LEU 24 3HD1 LEU 24 2.645 12.876 -5.329 168 1HD2 LEU 24 1HD2 LEU 24 2.898 15.809 -5.336 169 2HD2 LEU 24 2HD2 LEU 24 1.506 16.610 -6.102 170 3HD2 LEU 24 3HD2 LEU 24 1.338 15.892 -4.482 171 H GLY 25 H GLY 25 1.555 11.885 -10.105 172 1HA GLY 25 1HA GLY 25 2.180 11.633 -12.298 173 2HA GLY 25 2HA GLY 25 2.506 13.350 -12.425 174 H LEU 26 H LEU 26 3.718 10.509 -10.493 175 HA LEU 26 HA LEU 26 6.429 11.428 -11.152 176 1HB LEU 26 1HB LEU 26 5.502 10.226 -8.539 177 2HB LEU 26 2HB LEU 26 7.148 10.665 -8.948 178 HG LEU 26 HG LEU 26 4.825 12.598 -8.705 179 1HD1 LEU 26 1HD1 LEU 26 6.879 13.111 -6.807 180 2HD1 LEU 26 2HD1 LEU 26 5.192 12.620 -6.521 181 3HD1 LEU 26 3HD1 LEU 26 6.460 11.384 -6.704 182 1HD2 LEU 26 1HD2 LEU 26 6.562 13.268 -10.359 183 2HD2 LEU 26 2HD2 LEU 26 6.421 14.373 -8.972 184 3HD2 LEU 26 3HD2 LEU 26 7.770 13.215 -9.053 185 H LYS 27 H LYS 27 8.069 9.582 -10.978 186 HA LYS 27 HA LYS 27 6.813 7.216 -12.157 187 1HB LYS 27 1HB LYS 27 9.481 8.554 -12.473 188 2HB LYS 27 2HB LYS 27 9.348 6.834 -12.779 189 1HG LYS 27 1HG LYS 27 7.113 8.257 -14.019 190 2HG LYS 27 2HG LYS 27 8.637 8.951 -14.537 191 1HD LYS 27 1HD LYS 27 9.281 7.051 -15.679 192 2HD LYS 27 2HD LYS 27 8.575 5.968 -14.496 193 1HE LYS 27 1HE LYS 27 6.284 6.529 -15.373 194 2HE LYS 27 2HE LYS 27 7.013 7.574 -16.577 195 1HZ LYS 27 1HZ LYS 27 8.349 5.262 -16.875 196 2HZ LYS 27 2HZ LYS 27 6.839 4.740 -16.535 197 3HZ LYS 27 3HZ LYS 27 7.091 5.746 -17.797 198 H GLN 28 H GLN 28 7.380 8.210 -9.165 199 HA GLN 28 HA GLN 28 8.351 5.580 -8.380 200 1HB GLN 28 1HB GLN 28 9.562 6.652 -6.467 201 2HB GLN 28 2HB GLN 28 10.217 7.103 -8.029 202 1HG GLN 28 1HG GLN 28 8.553 9.153 -7.856 203 2HG GLN 28 2HG GLN 28 8.514 8.765 -6.147 204 1HE2 GLN 28 1HE2 GLN 28 10.263 10.150 -8.731 205 2HE2 GLN 28 2HE2 GLN 28 11.688 10.640 -7.877 206 H ALA 29 H ALA 29 8.000 5.656 -5.659 207 HA ALA 29 HA ALA 29 5.113 5.999 -5.482 208 1HB ALA 29 1HB ALA 29 5.170 4.265 -3.993 209 2HB ALA 29 2HB ALA 29 6.725 3.928 -4.791 210 3HB ALA 29 3HB ALA 29 6.690 4.814 -3.248 211 H VAL 30 H VAL 30 4.248 6.855 -3.331 212 HA VAL 30 HA VAL 30 6.020 8.680 -1.969 213 HB VAL 30 HB VAL 30 3.584 9.706 -3.437 214 1HG1 VAL 30 1HG1 VAL 30 5.734 11.142 -1.841 215 2HG1 VAL 30 2HG1 VAL 30 4.427 11.927 -2.760 216 3HG1 VAL 30 3HG1 VAL 30 4.037 10.904 -1.357 217 1HG2 VAL 30 1HG2 VAL 30 5.261 9.208 -5.087 218 2HG2 VAL 30 2HG2 VAL 30 5.252 10.968 -4.825 219 3HG2 VAL 30 3HG2 VAL 30 6.534 9.967 -4.101 220 H LYS 31 H LYS 31 5.585 8.402 0.152 221 HA LYS 31 HA LYS 31 3.625 6.824 1.149 222 1HB LYS 31 1HB LYS 31 5.699 8.299 2.174 223 2HB LYS 31 2HB LYS 31 4.317 9.114 2.876 224 1HG LYS 31 1HG LYS 31 3.568 6.498 3.252 225 2HG LYS 31 2HG LYS 31 5.310 6.329 3.327 226 1HD LYS 31 1HD LYS 31 4.686 8.653 4.865 227 2HD LYS 31 2HD LYS 31 3.495 7.449 5.313 228 1HE LYS 31 1HE LYS 31 5.075 6.544 6.674 229 2HE LYS 31 2HE LYS 31 5.881 5.974 5.227 230 1HZ LYS 31 1HZ LYS 31 6.348 8.715 6.052 231 2HZ LYS 31 2HZ LYS 31 7.077 7.525 6.900 232 3HZ LYS 31 3HZ LYS 31 7.355 7.674 5.298 233 H VAL 32 H VAL 32 1.454 6.887 1.006 234 HA VAL 32 HA VAL 32 0.150 9.319 0.274 235 HB VAL 32 HB VAL 32 -0.936 6.610 1.069 236 1HG1 VAL 32 1HG1 VAL 32 -2.322 8.768 -0.547 237 2HG1 VAL 32 2HG1 VAL 32 -3.015 7.262 0.101 238 3HG1 VAL 32 3HG1 VAL 32 -2.537 8.570 1.209 239 1HG2 VAL 32 1HG2 VAL 32 -1.085 7.290 -1.756 240 2HG2 VAL 32 2HG2 VAL 32 0.596 7.296 -1.170 241 3HG2 VAL 32 3HG2 VAL 32 -0.413 5.844 -0.965 242 HA PRO 33 HA PRO 33 -0.352 10.541 4.447 243 1HB PRO 33 1HB PRO 33 -1.340 13.039 3.945 244 2HB PRO 33 2HB PRO 33 0.374 12.683 4.015 245 1HG PRO 33 1HG PRO 33 -1.318 13.184 1.644 246 2HG PRO 33 2HG PRO 33 0.428 13.250 1.780 247 1HD PRO 33 1HD PRO 33 -1.123 11.149 0.593 248 2HD PRO 33 2HD PRO 33 0.613 11.163 0.834 249 H PHE 34 H PHE 34 -1.943 8.707 4.446 250 HA PHE 34 HA PHE 34 -4.536 8.972 3.766 251 1HB PHE 34 1HB PHE 34 -3.165 7.804 6.256 252 2HB PHE 34 2HB PHE 34 -4.857 7.499 5.914 253 HD1 PHE 34 1HD PHE 34 -3.359 7.711 2.806 254 HD2 PHE 34 2HD PHE 34 -3.575 5.129 6.166 255 HE1 PHE 34 1HE PHE 34 -2.716 5.768 1.354 256 HE2 PHE 34 2HE PHE 34 -2.931 3.185 4.714 257 HZ PHE 34 HZ PHE 34 -2.510 3.528 2.325 258 H ALA 35 H ALA 35 -2.817 10.751 6.262 259 HA ALA 35 HA ALA 35 -5.111 11.422 7.800 260 1HB ALA 35 1HB ALA 35 -2.848 13.292 7.889 261 2HB ALA 35 2HB ALA 35 -3.549 12.289 9.181 262 3HB ALA 35 3HB ALA 35 -2.347 11.594 8.068 263 H LEU 36 H LEU 36 -3.148 13.102 5.253 264 HA LEU 36 HA LEU 36 -4.483 15.481 5.209 265 1HB LEU 36 1HB LEU 36 -2.985 13.861 3.209 266 2HB LEU 36 2HB LEU 36 -3.906 15.233 2.624 267 HG LEU 36 HG LEU 36 -1.648 15.268 4.639 268 1HD1 LEU 36 1HD1 LEU 36 -1.865 16.614 1.935 269 2HD1 LEU 36 2HD1 LEU 36 -0.441 16.535 3.000 270 3HD1 LEU 36 3HD1 LEU 36 -1.056 15.056 2.225 271 1HD2 LEU 36 1HD2 LEU 36 -2.591 17.065 5.552 272 2HD2 LEU 36 2HD2 LEU 36 -2.260 17.907 4.020 273 3HD2 LEU 36 3HD2 LEU 36 -3.845 17.144 4.292 274 H PHE 37 H PHE 37 -5.462 12.311 3.864 275 HA PHE 37 HA PHE 37 -7.691 13.398 2.466 276 1HB PHE 37 1HB PHE 37 -6.756 10.627 3.399 277 2HB PHE 37 2HB PHE 37 -8.242 10.823 2.491 278 HD1 PHE 37 1HD PHE 37 -8.203 11.282 0.132 279 HD2 PHE 37 2HD PHE 37 -4.580 11.084 2.333 280 HE1 PHE 37 1HE PHE 37 -6.905 11.179 -2.014 281 HE2 PHE 37 2HE PHE 37 -3.282 10.982 0.187 282 HZ PHE 37 HZ PHE 37 -4.460 11.031 -1.961 283 H GLU 38 H GLU 38 -7.061 12.114 5.729 284 HA GLU 38 HA GLU 38 -9.775 11.695 6.337 285 1HB GLU 38 1HB GLU 38 -7.210 11.848 7.931 286 2HB GLU 38 2HB GLU 38 -8.744 11.825 8.778 287 1HG GLU 38 1HG GLU 38 -9.039 9.785 6.872 288 2HG GLU 38 2HG GLU 38 -7.359 9.642 7.351 289 H SER 39 H SER 39 -7.495 14.438 6.606 290 HA SER 39 HA SER 39 -9.393 15.951 8.127 291 1HB SER 39 1HB SER 39 -6.551 16.173 7.363 292 2HB SER 39 2HB SER 39 -7.390 17.709 7.272 293 HG SER 39 HG SER 39 -7.132 17.794 9.392 294 H PHE 40 H PHE 40 -7.934 15.923 4.814 295 HA PHE 40 HA PHE 40 -10.150 17.657 3.976 296 1HB PHE 40 1HB PHE 40 -7.328 17.439 2.781 297 2HB PHE 40 2HB PHE 40 -8.525 18.657 2.391 298 HD1 PHE 40 1HD PHE 40 -5.674 17.947 4.319 299 HD2 PHE 40 2HD PHE 40 -9.298 20.155 4.414 300 HE1 PHE 40 1HE PHE 40 -4.707 19.460 6.073 301 HE2 PHE 40 2HE PHE 40 -8.330 21.667 6.168 302 HZ PHE 40 HZ PHE 40 -6.047 21.302 6.976 303 HA PRO 41 HA PRO 41 -10.278 13.770 1.640 304 1HB PRO 41 1HB PRO 41 -12.893 13.135 2.118 305 2HB PRO 41 2HB PRO 41 -11.565 12.508 3.073 306 1HG PRO 41 1HG PRO 41 -13.521 14.611 3.774 307 2HG PRO 41 2HG PRO 41 -12.479 13.684 4.834 308 1HD PRO 41 1HD PRO 41 -12.098 16.402 4.001 309 2HD PRO 41 2HD PRO 41 -10.999 15.438 4.966 310 H GLU 42 H GLU 42 -12.475 16.464 1.779 311 HA GLU 42 HA GLU 42 -13.714 15.994 -0.637 312 1HB GLU 42 1HB GLU 42 -13.513 18.151 1.309 313 2HB GLU 42 2HB GLU 42 -13.490 18.814 -0.313 314 1HG GLU 42 1HG GLU 42 -15.540 17.398 -0.847 315 2HG GLU 42 2HG GLU 42 -15.595 16.925 0.839 316 H ASP 43 H ASP 43 -10.542 17.401 0.171 317 HA ASP 43 HA ASP 43 -10.177 18.340 -2.507 318 1HB ASP 43 1HB ASP 43 -8.297 18.155 -0.106 319 2HB ASP 43 2HB ASP 43 -7.842 18.873 -1.639 320 H PHE 44 H PHE 44 -8.751 15.874 -0.237 321 HA PHE 44 HA PHE 44 -7.577 14.539 -2.567 322 1HB PHE 44 1HB PHE 44 -7.064 14.242 0.453 323 2HB PHE 44 2HB PHE 44 -6.090 13.524 -0.815 324 HD1 PHE 44 1HD PHE 44 -4.916 15.153 -2.445 325 HD2 PHE 44 2HD PHE 44 -6.501 16.335 1.310 326 HE1 PHE 44 1HE PHE 44 -3.437 17.182 -2.459 327 HE2 PHE 44 2HE PHE 44 -5.023 18.363 1.295 328 HZ PHE 44 HZ PHE 44 -3.509 18.763 -0.589 329 H TYR 45 H TYR 45 -8.331 12.558 -3.191 330 HA TYR 45 HA TYR 45 -9.428 10.717 -1.340 331 1HB TYR 45 1HB TYR 45 -11.750 10.827 -2.449 332 2HB TYR 45 2HB TYR 45 -11.369 12.245 -1.493 333 HD1 TYR 45 1HD TYR 45 -10.617 14.360 -2.661 334 HD2 TYR 45 2HD TYR 45 -12.164 10.989 -4.793 335 HE1 TYR 45 1HE TYR 45 -11.062 15.835 -4.684 336 HE2 TYR 45 2HE TYR 45 -12.604 12.475 -6.809 337 HH TYR 45 HH TYR 45 -12.979 15.439 -6.812 338 H VAL 46 H VAL 46 -9.971 8.659 -2.367 339 HA VAL 46 HA VAL 46 -8.819 8.500 -5.065 340 HB VAL 46 HB VAL 46 -8.811 6.621 -2.711 341 1HG1 VAL 46 1HG1 VAL 46 -8.922 5.925 -5.535 342 2HG1 VAL 46 2HG1 VAL 46 -7.412 5.360 -4.780 343 3HG1 VAL 46 3HG1 VAL 46 -8.984 4.876 -4.098 344 1HG2 VAL 46 1HG2 VAL 46 -6.622 7.821 -4.439 345 2HG2 VAL 46 2HG2 VAL 46 -7.008 8.241 -2.753 346 3HG2 VAL 46 3HG2 VAL 46 -6.361 6.629 -3.143 347 H GLU 47 H GLU 47 -9.991 7.511 -6.702 348 HA GLU 47 HA GLU 47 -12.676 6.698 -5.899 349 1HB GLU 47 1HB GLU 47 -11.662 8.124 -8.379 350 2HB GLU 47 2HB GLU 47 -13.199 7.282 -8.392 351 1HG GLU 47 1HG GLU 47 -12.877 9.007 -6.013 352 2HG GLU 47 2HG GLU 47 -12.769 9.908 -7.513 353 H GLY 48 H GLY 48 -13.700 5.089 -7.560 354 1HA GLY 48 1HA GLY 48 -13.436 3.325 -9.058 355 2HA GLY 48 2HA GLY 48 -11.703 3.338 -8.797 356 H LEU 49 H LEU 49 -12.004 3.543 -5.791 357 HA LEU 49 HA LEU 49 -11.664 0.986 -5.064 358 1HB LEU 49 1HB LEU 49 -12.744 3.378 -3.631 359 2HB LEU 49 2HB LEU 49 -12.738 1.827 -2.815 360 HG LEU 49 HG LEU 49 -10.227 2.910 -4.082 361 1HD1 LEU 49 1HD1 LEU 49 -11.301 4.603 -2.506 362 2HD1 LEU 49 2HD1 LEU 49 -10.972 3.434 -1.204 363 3HD1 LEU 49 3HD1 LEU 49 -9.627 4.112 -2.152 364 1HD2 LEU 49 1HD2 LEU 49 -10.323 0.531 -3.382 365 2HD2 LEU 49 2HD2 LEU 49 -9.100 1.480 -2.503 366 3HD2 LEU 49 3HD2 LEU 49 -10.641 1.066 -1.714 367 HA PRO 50 HA PRO 50 -15.453 -1.055 -5.370 368 1HB PRO 50 1HB PRO 50 -15.144 -3.077 -3.558 369 2HB PRO 50 2HB PRO 50 -14.447 -3.116 -5.165 370 1HG PRO 50 1HG PRO 50 -13.108 -2.625 -2.576 371 2HG PRO 50 2HG PRO 50 -12.396 -3.086 -4.110 372 1HD PRO 50 1HD PRO 50 -12.374 -0.475 -2.922 373 2HD PRO 50 2HD PRO 50 -11.765 -0.911 -4.507 374 H GLU 51 H GLU 51 -17.360 -2.064 -4.049 375 HA GLU 51 HA GLU 51 -18.301 0.112 -2.555 376 1HB GLU 51 1HB GLU 51 -19.476 -1.952 -3.904 377 2HB GLU 51 2HB GLU 51 -19.648 -2.541 -2.262 378 1HG GLU 51 1HG GLU 51 -20.949 -0.664 -1.584 379 2HG GLU 51 2HG GLU 51 -20.400 0.323 -2.924 380 H GLY 52 H GLY 52 -18.850 0.208 -0.270 381 1HA GLY 52 1HA GLY 52 -18.303 0.004 1.903 382 2HA GLY 52 2HA GLY 52 -18.443 -1.722 1.632 383 H VAL 53 H VAL 53 -16.041 0.149 -0.189 384 HA VAL 53 HA VAL 53 -13.955 -0.818 1.631 385 HB VAL 53 HB VAL 53 -13.962 -1.027 -1.387 386 1HG1 VAL 53 1HG1 VAL 53 -11.763 -1.535 -1.348 387 2HG1 VAL 53 2HG1 VAL 53 -11.771 -0.658 0.201 388 3HG1 VAL 53 3HG1 VAL 53 -11.891 -2.434 0.182 389 1HG2 VAL 53 1HG2 VAL 53 -15.126 -2.739 0.511 390 2HG2 VAL 53 2HG2 VAL 53 -14.783 -3.095 -1.199 391 3HG2 VAL 53 3HG2 VAL 53 -13.592 -3.516 0.055 392 HA PRO 54 HA PRO 54 -13.270 3.520 0.988 393 1HB PRO 54 1HB PRO 54 -12.161 4.018 3.436 394 2HB PRO 54 2HB PRO 54 -13.880 4.140 3.120 395 1HG PRO 54 1HG PRO 54 -12.407 2.023 4.565 396 2HG PRO 54 2HG PRO 54 -14.120 2.388 4.601 397 1HD PRO 54 1HD PRO 54 -12.853 0.235 3.191 398 2HD PRO 54 2HD PRO 54 -14.550 0.670 3.135 399 H PHE 55 H PHE 55 -11.211 4.984 1.462 400 HA PHE 55 HA PHE 55 -9.080 3.396 0.273 401 1HB PHE 55 1HB PHE 55 -9.852 5.545 -0.781 402 2HB PHE 55 2HB PHE 55 -9.589 6.397 0.728 403 HD1 PHE 55 1HD PHE 55 -8.010 7.998 0.026 404 HD2 PHE 55 2HD PHE 55 -7.308 3.888 -0.764 405 HE1 PHE 55 1HE PHE 55 -5.664 8.535 -0.685 406 HE2 PHE 55 2HE PHE 55 -4.962 4.425 -1.475 407 HZ PHE 55 HZ PHE 55 -4.168 6.743 -1.428 408 H ARG 56 H ARG 56 -9.612 2.909 3.060 409 HA ARG 56 HA ARG 56 -7.829 4.506 4.565 410 1HB ARG 56 1HB ARG 56 -9.612 2.141 5.053 411 2HB ARG 56 2HB ARG 56 -8.256 2.307 6.150 412 1HG ARG 56 1HG ARG 56 -9.830 4.802 5.588 413 2HG ARG 56 2HG ARG 56 -10.639 3.568 6.534 414 1HD ARG 56 1HD ARG 56 -8.815 3.557 8.187 415 2HD ARG 56 2HD ARG 56 -7.856 4.642 7.200 416 HE ARG 56 HE ARG 56 -9.142 6.448 7.963 417 1HH1 ARG 56 2HH2 ARG 56 -10.816 3.440 8.690 418 2HH1 ARG 56 1HH2 ARG 56 -12.037 4.203 9.652 419 1HH2 ARG 56 2HH1 ARG 56 -10.752 7.456 9.233 420 2HH2 ARG 56 1HH1 ARG 56 -12.001 6.503 9.963 421 H ARG 57 H ARG 57 -6.376 2.746 6.167 422 HA ARG 57 HA ARG 57 -4.377 1.942 4.318 423 1HB ARG 57 1HB ARG 57 -3.036 1.458 6.348 424 2HB ARG 57 2HB ARG 57 -3.797 3.030 6.483 425 1HG ARG 57 1HG ARG 57 -5.750 1.681 7.675 426 2HG ARG 57 2HG ARG 57 -4.522 0.451 7.899 427 1HD ARG 57 1HD ARG 57 -3.590 1.614 9.614 428 2HD ARG 57 2HD ARG 57 -3.394 3.034 8.606 429 HE ARG 57 HE ARG 57 -5.613 2.493 10.463 430 1HH1 ARG 57 2HH2 ARG 57 -4.482 4.428 7.750 431 2HH1 ARG 57 1HH2 ARG 57 -5.605 5.716 8.035 432 1HH2 ARG 57 2HH1 ARG 57 -7.094 4.192 10.840 433 2HH2 ARG 57 1HH1 ARG 57 -7.100 5.581 9.805 434 HA PRO 58 HA PRO 58 -5.371 -2.304 4.304 435 1HB PRO 58 1HB PRO 58 -2.960 -3.448 3.716 436 2HB PRO 58 2HB PRO 58 -3.991 -2.711 2.506 437 1HG PRO 58 1HG PRO 58 -1.497 -1.667 3.702 438 2HG PRO 58 2HG PRO 58 -2.298 -1.170 2.224 439 1HD PRO 58 1HD PRO 58 -2.323 0.212 4.737 440 2HD PRO 58 2HD PRO 58 -3.216 0.646 3.293 441 H SER 59 H SER 59 -2.910 -1.195 6.439 442 HA SER 59 HA SER 59 -2.735 -3.636 7.834 443 1HB SER 59 1HB SER 59 -1.227 -2.518 9.247 444 2HB SER 59 2HB SER 59 -1.055 -1.639 7.741 445 HG SER 59 HG SER 59 -2.999 -0.338 8.906 446 H THR 60 H THR 60 -5.357 -3.563 7.702 447 HA THR 60 HA THR 60 -6.261 -3.433 10.333 448 HB THR 60 HB THR 60 -6.079 -0.864 9.159 449 HG1 THR 60 1HG THR 60 -7.520 -0.511 11.141 450 1HG2 THR 60 1HG2 THR 60 -8.202 -1.461 7.859 451 2HG2 THR 60 2HG2 THR 60 -9.001 -1.738 9.425 452 3HG2 THR 60 3HG2 THR 60 -8.403 -0.115 9.006 453 H PHE 61 H PHE 61 -7.008 -3.244 6.837 454 HA PHE 61 HA PHE 61 -9.613 -4.204 7.015 455 1HB PHE 61 1HB PHE 61 -7.337 -4.277 4.969 456 2HB PHE 61 2HB PHE 61 -8.874 -5.026 4.584 457 HD1 PHE 61 1HD PHE 61 -10.773 -3.101 5.790 458 HD2 PHE 61 2HD PHE 61 -7.225 -2.428 3.563 459 HE1 PHE 61 1HE PHE 61 -11.667 -0.880 5.037 460 HE2 PHE 61 2HE PHE 61 -8.118 -0.207 2.810 461 HZ PHE 61 HZ PHE 61 -10.328 0.541 3.556 462 H GLY 62 H GLY 62 -9.890 -6.453 5.455 463 1HA GLY 62 1HA GLY 62 -8.810 -8.527 7.235 464 2HA GLY 62 2HA GLY 62 -10.225 -8.650 6.210 465 H ILE 63 H ILE 63 -8.788 -10.769 5.822 466 HA ILE 63 HA ILE 63 -6.549 -10.456 4.118 467 HB ILE 63 HB ILE 63 -8.279 -12.743 4.993 468 1HG1 ILE 63 1HG1 ILE 63 -5.298 -12.505 5.292 469 2HG1 ILE 63 2HG1 ILE 63 -6.351 -11.583 6.345 470 1HG2 ILE 63 1HG2 ILE 63 -6.000 -12.950 3.007 471 2HG2 ILE 63 2HG2 ILE 63 -6.925 -14.295 3.716 472 3HG2 ILE 63 3HG2 ILE 63 -7.727 -13.143 2.622 473 1HD1 ILE 63 1HD1 ILE 63 -6.687 -13.425 7.611 474 2HD1 ILE 63 2HD1 ILE 63 -7.425 -14.243 6.213 475 3HD1 ILE 63 3HD1 ILE 63 -5.673 -14.379 6.501 476 HA PRO 64 HA PRO 64 -9.837 -11.281 0.812 477 1HB PRO 64 1HB PRO 64 -12.477 -10.943 1.434 478 2HB PRO 64 2HB PRO 64 -11.684 -12.506 1.437 479 1HG PRO 64 1HG PRO 64 -12.487 -10.829 3.736 480 2HG PRO 64 2HG PRO 64 -12.095 -12.537 3.707 481 1HD PRO 64 1HD PRO 64 -10.419 -10.408 4.647 482 2HD PRO 64 2HD PRO 64 -9.985 -12.101 4.509 483 H ARG 65 H ARG 65 -11.151 -8.854 3.018 484 HA ARG 65 HA ARG 65 -11.975 -7.094 1.165 485 1HB ARG 65 1HB ARG 65 -11.407 -7.075 3.971 486 2HB ARG 65 2HB ARG 65 -10.626 -5.650 3.315 487 1HG ARG 65 1HG ARG 65 -12.935 -5.312 2.040 488 2HG ARG 65 2HG ARG 65 -13.564 -6.383 3.276 489 1HD ARG 65 1HD ARG 65 -11.829 -4.267 4.398 490 2HD ARG 65 2HD ARG 65 -13.204 -3.613 3.531 491 HE ARG 65 HE ARG 65 -13.294 -4.932 6.081 492 1HH1 ARG 65 2HH2 ARG 65 -15.094 -4.714 3.065 493 2HH1 ARG 65 1HH2 ARG 65 -16.617 -5.093 3.798 494 1HH2 ARG 65 2HH1 ARG 65 -15.303 -5.432 7.048 495 2HH2 ARG 65 1HH1 ARG 65 -16.736 -5.505 6.079 496 H LEU 66 H LEU 66 -8.654 -7.877 2.167 497 HA LEU 66 HA LEU 66 -7.414 -5.573 1.133 498 1HB LEU 66 1HB LEU 66 -6.530 -8.313 1.951 499 2HB LEU 66 2HB LEU 66 -5.418 -7.274 1.082 500 HG LEU 66 HG LEU 66 -6.818 -6.268 3.551 501 1HD1 LEU 66 1HD1 LEU 66 -5.325 -8.581 3.624 502 2HD1 LEU 66 2HD1 LEU 66 -4.128 -7.326 4.021 503 3HD1 LEU 66 3HD1 LEU 66 -5.613 -7.477 4.990 504 1HD2 LEU 66 1HD2 LEU 66 -4.163 -5.603 2.248 505 2HD2 LEU 66 2HD2 LEU 66 -5.651 -4.626 2.195 506 3HD2 LEU 66 3HD2 LEU 66 -4.800 -4.870 3.740 507 H GLU 67 H GLU 67 -8.047 -8.867 -0.233 508 HA GLU 67 HA GLU 67 -6.814 -8.294 -2.666 509 1HB GLU 67 1HB GLU 67 -8.664 -10.416 -1.616 510 2HB GLU 67 2HB GLU 67 -8.507 -10.282 -3.356 511 1HG GLU 67 1HG GLU 67 -5.942 -10.209 -1.810 512 2HG GLU 67 2HG GLU 67 -6.799 -11.738 -1.791 513 H LYS 68 H LYS 68 -10.177 -7.943 -1.450 514 HA LYS 68 HA LYS 68 -11.549 -7.531 -3.749 515 1HB LYS 68 1HB LYS 68 -11.837 -6.015 -1.137 516 2HB LYS 68 2HB LYS 68 -13.047 -6.096 -2.401 517 1HG LYS 68 1HG LYS 68 -12.567 -8.767 -2.076 518 2HG LYS 68 2HG LYS 68 -12.181 -8.210 -0.460 519 1HD LYS 68 1HD LYS 68 -14.388 -7.161 -0.225 520 2HD LYS 68 2HD LYS 68 -14.774 -7.490 -1.902 521 1HE LYS 68 1HE LYS 68 -13.988 -9.977 -0.631 522 2HE LYS 68 2HE LYS 68 -15.193 -9.194 0.372 523 1HZ LYS 68 1HZ LYS 68 -15.564 -10.495 -2.054 524 2HZ LYS 68 2HZ LYS 68 -16.695 -9.834 -1.079 525 3HZ LYS 68 3HZ LYS 68 -16.005 -8.936 -2.255 526 H ILE 69 H ILE 69 -9.401 -5.207 -2.019 527 HA ILE 69 HA ILE 69 -9.967 -3.053 -3.740 528 HB ILE 69 HB ILE 69 -7.696 -3.664 -1.856 529 1HG1 ILE 69 1HG1 ILE 69 -9.465 -1.409 -1.277 530 2HG1 ILE 69 2HG1 ILE 69 -10.337 -2.925 -1.390 531 1HG2 ILE 69 1HG2 ILE 69 -6.511 -2.107 -2.930 532 2HG2 ILE 69 2HG2 ILE 69 -7.911 -1.569 -3.888 533 3HG2 ILE 69 3HG2 ILE 69 -7.663 -0.937 -2.243 534 1HD1 ILE 69 1HD1 ILE 69 -9.640 -2.766 0.893 535 2HD1 ILE 69 2HD1 ILE 69 -8.518 -3.930 0.147 536 3HD1 ILE 69 3HD1 ILE 69 -7.998 -2.252 0.436 537 H LEU 70 H LEU 70 -7.083 -5.263 -3.550 538 HA LEU 70 HA LEU 70 -5.690 -4.405 -5.670 539 1HB LEU 70 1HB LEU 70 -6.197 -7.157 -4.592 540 2HB LEU 70 2HB LEU 70 -5.183 -6.936 -6.003 541 HG LEU 70 HG LEU 70 -4.406 -5.121 -3.866 542 1HD1 LEU 70 1HD1 LEU 70 -4.565 -8.069 -3.221 543 2HD1 LEU 70 2HD1 LEU 70 -3.436 -6.956 -2.410 544 3HD1 LEU 70 3HD1 LEU 70 -5.192 -6.691 -2.285 545 1HD2 LEU 70 1HD2 LEU 70 -2.998 -5.600 -5.777 546 2HD2 LEU 70 2HD2 LEU 70 -2.194 -6.136 -4.282 547 3HD2 LEU 70 3HD2 LEU 70 -2.962 -7.329 -5.357 548 H ARG 71 H ARG 71 -8.484 -6.713 -5.823 549 HA ARG 71 HA ARG 71 -8.551 -7.335 -8.362 550 1HB ARG 71 1HB ARG 71 -10.912 -6.323 -6.702 551 2HB ARG 71 2HB ARG 71 -11.103 -7.177 -8.220 552 1HG ARG 71 1HG ARG 71 -9.379 -8.874 -6.886 553 2HG ARG 71 2HG ARG 71 -10.301 -8.223 -5.546 554 1HD ARG 71 1HD ARG 71 -11.912 -9.044 -7.933 555 2HD ARG 71 2HD ARG 71 -11.128 -10.351 -7.068 556 HE ARG 71 HE ARG 71 -12.300 -8.774 -5.070 557 1HH1 ARG 71 2HH2 ARG 71 -13.438 -10.527 -7.900 558 2HH1 ARG 71 1HH2 ARG 71 -15.006 -10.841 -7.234 559 1HH2 ARG 71 2HH1 ARG 71 -14.368 -9.188 -4.189 560 2HH2 ARG 71 1HH1 ARG 71 -15.538 -10.074 -5.109 561 H ASN 72 H ASN 72 -9.465 -4.125 -7.000 562 HA ASN 72 HA ASN 72 -9.662 -3.167 -9.747 563 1HB ASN 72 1HB ASN 72 -11.022 -2.250 -7.171 564 2HB ASN 72 2HB ASN 72 -10.947 -1.204 -8.575 565 1HD2 ASN 72 1HD2 ASN 72 -13.312 -2.127 -7.430 566 2HD2 ASN 72 2HD2 ASN 72 -14.144 -3.159 -8.545 567 H LYS 73 H LYS 73 -7.097 -3.378 -8.901 568 HA LYS 73 HA LYS 73 -6.284 -1.112 -7.340 569 1HB LYS 73 1HB LYS 73 -4.130 -2.038 -7.424 570 2HB LYS 73 2HB LYS 73 -5.207 -3.418 -7.337 571 1HG LYS 73 1HG LYS 73 -5.103 -3.504 -9.915 572 2HG LYS 73 2HG LYS 73 -3.807 -2.328 -9.817 573 1HD LYS 73 1HD LYS 73 -2.287 -3.865 -9.042 574 2HD LYS 73 2HD LYS 73 -3.452 -4.638 -7.985 575 1HE LYS 73 1HE LYS 73 -2.912 -6.272 -9.663 576 2HE LYS 73 2HE LYS 73 -4.512 -5.686 -10.071 577 1HZ LYS 73 1HZ LYS 73 -3.301 -5.623 -12.029 578 2HZ LYS 73 2HZ LYS 73 -3.309 -4.063 -11.546 579 3HZ LYS 73 3HZ LYS 73 -1.971 -4.976 -11.336 580 H ALA 74 H ALA 74 -6.388 -2.092 -10.793 581 HA ALA 74 HA ALA 74 -4.961 0.221 -11.660 582 1HB ALA 74 1HB ALA 74 -4.791 -1.102 -13.465 583 2HB ALA 74 2HB ALA 74 -5.935 -2.258 -12.740 584 3HB ALA 74 3HB ALA 74 -6.539 -0.924 -13.752 585 H LYS 75 H LYS 75 -8.425 -0.815 -11.516 586 HA LYS 75 HA LYS 75 -9.514 1.372 -12.790 587 1HB LYS 75 1HB LYS 75 -10.668 -0.276 -10.520 588 2HB LYS 75 2HB LYS 75 -11.583 0.780 -11.577 589 1HG LYS 75 1HG LYS 75 -9.871 -1.521 -12.617 590 2HG LYS 75 2HG LYS 75 -11.569 -1.703 -12.224 591 1HD LYS 75 1HD LYS 75 -12.204 -0.757 -14.188 592 2HD LYS 75 2HD LYS 75 -11.205 0.654 -13.901 593 1HE LYS 75 1HE LYS 75 -9.258 -1.170 -14.536 594 2HE LYS 75 2HE LYS 75 -10.590 -1.821 -15.470 595 1HZ LYS 75 1HZ LYS 75 -9.274 -0.143 -16.644 596 2HZ LYS 75 2HZ LYS 75 -10.852 0.265 -16.540 597 3HZ LYS 75 3HZ LYS 75 -9.756 0.993 -15.574 598 H ILE 76 H ILE 76 -8.658 0.912 -9.306 599 HA ILE 76 HA ILE 76 -9.668 3.159 -8.225 600 HB ILE 76 HB ILE 76 -7.207 1.554 -7.752 601 1HG1 ILE 76 1HG1 ILE 76 -9.448 2.292 -5.861 602 2HG1 ILE 76 2HG1 ILE 76 -9.579 0.967 -7.000 603 1HG2 ILE 76 1HG2 ILE 76 -6.377 3.794 -7.358 604 2HG2 ILE 76 2HG2 ILE 76 -7.788 4.173 -6.343 605 3HG2 ILE 76 3HG2 ILE 76 -6.609 2.953 -5.807 606 1HD1 ILE 76 1HD1 ILE 76 -8.719 0.423 -4.607 607 2HD1 ILE 76 2HD1 ILE 76 -7.815 -0.261 -5.979 608 3HD1 ILE 76 3HD1 ILE 76 -7.193 1.175 -5.131 609 H LYS 77 H LYS 77 -8.900 5.338 -7.839 610 HA LYS 77 HA LYS 77 -6.729 6.263 -9.501 611 1HB LYS 77 1HB LYS 77 -9.055 6.204 -10.794 612 2HB LYS 77 2HB LYS 77 -9.324 7.696 -9.916 613 1HG LYS 77 1HG LYS 77 -6.616 7.687 -10.985 614 2HG LYS 77 2HG LYS 77 -7.747 7.316 -12.271 615 1HD LYS 77 1HD LYS 77 -9.133 9.350 -11.295 616 2HD LYS 77 2HD LYS 77 -7.622 9.792 -10.525 617 1HE LYS 77 1HE LYS 77 -7.151 10.864 -12.488 618 2HE LYS 77 2HE LYS 77 -6.762 9.269 -13.102 619 1HZ LYS 77 1HZ LYS 77 -8.686 9.165 -14.235 620 2HZ LYS 77 2HZ LYS 77 -9.546 10.037 -13.155 621 3HZ LYS 77 3HZ LYS 77 -8.558 10.793 -14.212 622 H PHE 78 H PHE 78 -5.758 8.109 -8.654 623 HA PHE 78 HA PHE 78 -6.862 8.927 -6.076 624 1HB PHE 78 1HB PHE 78 -4.148 8.989 -7.494 625 2HB PHE 78 2HB PHE 78 -4.409 9.974 -6.068 626 HD1 PHE 78 1HD PHE 78 -3.336 9.052 -4.255 627 HD2 PHE 78 2HD PHE 78 -5.349 6.463 -6.948 628 HE1 PHE 78 1HE PHE 78 -2.765 7.091 -2.797 629 HE2 PHE 78 2HE PHE 78 -4.778 4.501 -5.489 630 HZ PHE 78 HZ PHE 78 -3.492 4.839 -3.431 631 H ILE 79 H ILE 79 -7.526 11.015 -5.669 632 HA ILE 79 HA ILE 79 -7.246 12.878 -7.923 633 HB ILE 79 HB ILE 79 -9.392 12.856 -5.803 634 1HG1 ILE 79 1HG1 ILE 79 -9.660 10.815 -7.008 635 2HG1 ILE 79 2HG1 ILE 79 -10.865 11.942 -7.599 636 1HG2 ILE 79 1HG2 ILE 79 -10.370 14.147 -8.021 637 2HG2 ILE 79 2HG2 ILE 79 -9.693 14.932 -6.574 638 3HG2 ILE 79 3HG2 ILE 79 -8.665 14.657 -8.001 639 1HD1 ILE 79 1HD1 ILE 79 -9.898 10.877 -9.537 640 2HD1 ILE 79 2HD1 ILE 79 -9.249 12.534 -9.494 641 3HD1 ILE 79 3HD1 ILE 79 -8.244 11.171 -8.949 642 H ILE 80 H ILE 80 -6.029 14.667 -7.603 643 HA ILE 80 HA ILE 80 -5.563 15.452 -4.814 644 HB ILE 80 HB ILE 80 -3.503 15.464 -7.020 645 1HG1 ILE 80 1HG1 ILE 80 -4.386 13.181 -5.995 646 2HG1 ILE 80 2HG1 ILE 80 -2.691 13.447 -6.351 647 1HG2 ILE 80 1HG2 ILE 80 -1.923 15.990 -5.246 648 2HG2 ILE 80 2HG2 ILE 80 -3.209 17.218 -5.326 649 3HG2 ILE 80 3HG2 ILE 80 -3.237 15.982 -4.046 650 1HD1 ILE 80 1HD1 ILE 80 -2.941 12.497 -4.092 651 2HD1 ILE 80 2HD1 ILE 80 -2.307 14.156 -3.981 652 3HD1 ILE 80 3HD1 ILE 80 -4.022 13.834 -3.629 653 H LYS 81 H LYS 81 -6.572 17.362 -4.508 654 HA LYS 81 HA LYS 81 -6.756 19.160 -6.805 655 1HB LYS 81 1HB LYS 81 -8.252 19.268 -4.171 656 2HB LYS 81 2HB LYS 81 -8.561 20.237 -5.597 657 1HG LYS 81 1HG LYS 81 -9.048 18.123 -6.889 658 2HG LYS 81 2HG LYS 81 -8.816 17.197 -5.420 659 1HD LYS 81 1HD LYS 81 -10.762 18.071 -4.394 660 2HD LYS 81 2HD LYS 81 -10.780 19.501 -5.407 661 1HE LYS 81 1HE LYS 81 -10.991 17.098 -7.060 662 2HE LYS 81 2HE LYS 81 -12.226 17.085 -5.817 663 1HZ LYS 81 1HZ LYS 81 -11.908 18.870 -8.034 664 2HZ LYS 81 2HZ LYS 81 -13.267 18.406 -7.256 665 3HZ LYS 81 3HZ LYS 81 -12.340 19.600 -6.639 666 H LYS 82 H LYS 82 -4.943 18.555 -3.948 667 HA LYS 82 HA LYS 82 -3.771 21.213 -4.196 668 1HB LYS 82 1HB LYS 82 -4.709 20.006 -1.576 669 2HB LYS 82 2HB LYS 82 -3.690 21.424 -1.717 670 1HG LYS 82 1HG LYS 82 -5.741 22.095 -3.438 671 2HG LYS 82 2HG LYS 82 -6.606 21.124 -2.264 672 1HD LYS 82 1HD LYS 82 -6.267 22.636 -0.541 673 2HD LYS 82 2HD LYS 82 -4.686 23.118 -1.124 674 1HE LYS 82 1HE LYS 82 -5.560 24.692 -2.635 675 2HE LYS 82 2HE LYS 82 -7.090 23.852 -2.797 676 1HZ LYS 82 1HZ LYS 82 -7.403 24.466 -0.374 677 2HZ LYS 82 2HZ LYS 82 -6.189 25.538 -0.588 678 3HZ LYS 82 3HZ LYS 82 -7.555 25.661 -1.475 679 HA PRO 83 HA PRO 83 -0.713 17.909 -4.139 680 1HB PRO 83 1HB PRO 83 0.670 18.681 -6.366 681 2HB PRO 83 2HB PRO 83 -0.621 17.497 -6.403 682 1HG PRO 83 1HG PRO 83 -0.662 20.314 -7.300 683 2HG PRO 83 2HG PRO 83 -1.768 19.016 -7.705 684 1HD PRO 83 1HD PRO 83 -2.238 21.156 -5.854 685 2HD PRO 83 2HD PRO 83 -3.296 19.796 -6.174 686 H GLU 84 H GLU 84 -0.800 21.179 -3.716 687 HA GLU 84 HA GLU 84 2.026 21.456 -3.387 688 1HB GLU 84 1HB GLU 84 1.602 23.753 -3.060 689 2HB GLU 84 2HB GLU 84 0.340 23.269 -4.176 690 1HG GLU 84 1HG GLU 84 -1.194 22.918 -2.164 691 2HG GLU 84 2HG GLU 84 0.060 23.607 -1.154 692 H MET 85 H MET 85 -0.883 20.910 -1.389 693 HA MET 85 HA MET 85 0.452 21.429 1.047 694 1HB MET 85 1HB MET 85 -2.167 20.056 0.260 695 2HB MET 85 2HB MET 85 -1.673 20.170 1.937 696 1HG MET 85 1HG MET 85 -1.671 22.615 1.851 697 2HG MET 85 2HG MET 85 -1.894 22.609 0.113 698 1HE MET 85 1HE MET 85 -2.995 21.014 3.210 699 2HE MET 85 2HE MET 85 -4.368 22.081 3.591 700 3HE MET 85 3HE MET 85 -4.659 20.469 2.895 701 H PHE 86 H PHE 86 0.665 18.889 -1.203 702 HA PHE 86 HA PHE 86 0.974 16.779 0.728 703 1HB PHE 86 1HB PHE 86 0.660 17.208 -2.158 704 2HB PHE 86 2HB PHE 86 2.057 16.183 -1.893 705 HD1 PHE 86 1HD PHE 86 -1.493 16.489 -0.768 706 HD2 PHE 86 2HD PHE 86 1.721 13.904 -1.768 707 HE1 PHE 86 1HE PHE 86 -3.003 14.503 -0.490 708 HE2 PHE 86 2HE PHE 86 0.211 11.919 -1.490 709 HZ PHE 86 HZ PHE 86 -2.133 12.242 -0.855 710 H GLU 87 H GLU 87 2.967 19.193 -0.889 711 HA GLU 87 HA GLU 87 5.357 18.113 -1.147 712 1HB GLU 87 1HB GLU 87 4.345 20.717 -0.803 713 2HB GLU 87 2HB GLU 87 5.603 20.592 0.410 714 1HG GLU 87 1HG GLU 87 6.777 19.394 -1.837 715 2HG GLU 87 2HG GLU 87 5.840 20.700 -2.535 716 H THR 88 H THR 88 3.825 19.005 1.996 717 HA THR 88 HA THR 88 5.982 18.563 3.663 718 HB THR 88 HB THR 88 2.958 18.291 3.937 719 HG1 THR 88 1HG THR 88 5.160 20.042 4.761 720 1HG2 THR 88 1HG2 THR 88 4.929 17.193 5.746 721 2HG2 THR 88 2HG2 THR 88 4.280 18.682 6.474 722 3HG2 THR 88 3HG2 THR 88 3.178 17.363 6.011 723 H ALA 89 H ALA 89 3.495 16.170 2.556 724 HA ALA 89 HA ALA 89 4.711 14.024 3.906 725 1HB ALA 89 1HB ALA 89 2.332 14.475 2.640 726 2HB ALA 89 2HB ALA 89 3.165 13.467 1.433 727 3HB ALA 89 3HB ALA 89 2.931 12.861 3.090 728 H ILE 90 H ILE 90 4.735 15.006 0.403 729 HA ILE 90 HA ILE 90 6.347 13.114 -0.612 730 HB ILE 90 HB ILE 90 6.301 16.076 -1.180 731 1HG1 ILE 90 1HG1 ILE 90 5.016 13.835 -2.750 732 2HG1 ILE 90 2HG1 ILE 90 4.193 14.637 -1.427 733 1HG2 ILE 90 1HG2 ILE 90 8.378 15.321 -2.048 734 2HG2 ILE 90 2HG2 ILE 90 7.649 13.830 -2.692 735 3HG2 ILE 90 3HG2 ILE 90 7.245 15.404 -3.419 736 1HD1 ILE 90 1HD1 ILE 90 3.545 15.786 -3.448 737 2HD1 ILE 90 2HD1 ILE 90 4.676 16.863 -2.594 738 3HD1 ILE 90 3HD1 ILE 90 5.236 15.912 -3.990 739 H LYS 91 H LYS 91 7.346 15.953 1.363 740 HA LYS 91 HA LYS 91 10.113 15.420 1.077 741 1HB LYS 91 1HB LYS 91 9.870 17.589 1.660 742 2HB LYS 91 2HB LYS 91 8.383 17.310 2.543 743 1HG LYS 91 1HG LYS 91 9.528 16.626 4.517 744 2HG LYS 91 2HG LYS 91 11.013 16.281 3.652 745 1HD LYS 91 1HD LYS 91 11.232 18.761 3.149 746 2HD LYS 91 2HD LYS 91 9.824 19.050 4.151 747 1HE LYS 91 1HE LYS 91 11.086 18.978 6.037 748 2HE LYS 91 2HE LYS 91 11.677 17.379 5.631 749 1HZ LYS 91 1HZ LYS 91 13.244 19.449 5.732 750 2HZ LYS 91 2HZ LYS 91 13.518 18.228 4.683 751 3HZ LYS 91 3HZ LYS 91 12.804 19.603 4.167 752 H GLU 92 H GLU 92 7.762 14.896 3.800 753 HA GLU 92 HA GLU 92 9.372 13.729 5.565 754 1HB GLU 92 1HB GLU 92 6.494 13.326 4.819 755 2HB GLU 92 2HB GLU 92 7.193 12.154 5.918 756 1HG GLU 92 1HG GLU 92 8.116 14.610 6.924 757 2HG GLU 92 2HG GLU 92 6.486 14.979 6.397 758 H SER 93 H SER 93 7.656 11.975 2.879 759 HA SER 93 HA SER 93 8.439 9.483 3.331 760 1HB SER 93 1HB SER 93 7.178 10.633 1.299 761 2HB SER 93 2HB SER 93 8.748 10.568 0.524 762 HG SER 93 HG SER 93 7.688 8.653 -0.017 763 H SER 94 H SER 94 10.322 8.235 3.243 764 HA SER 94 HA SER 94 12.681 9.607 2.228 765 1HB SER 94 1HB SER 94 12.157 8.913 4.942 766 2HB SER 94 2HB SER 94 13.351 7.762 4.376 767 HG SER 94 HG SER 94 13.566 10.642 4.123 768 H GLY 95 H GLY 95 11.463 6.401 3.463 769 1HA GLY 95 1HA GLY 95 12.254 5.142 0.960 770 2HA GLY 95 2HA GLY 95 13.129 4.627 2.388 771 HA PRO 96 HA PRO 96 9.490 2.014 2.382 772 1HB PRO 96 1HB PRO 96 10.747 -0.284 3.162 773 2HB PRO 96 2HB PRO 96 10.511 0.156 1.482 774 1HG PRO 96 1HG PRO 96 12.985 0.266 3.096 775 2HG PRO 96 2HG PRO 96 12.809 0.288 1.352 776 1HD PRO 96 1HD PRO 96 13.376 2.531 3.049 777 2HD PRO 96 2HD PRO 96 13.086 2.570 1.321 778 H SER 97 H SER 97 12.026 1.842 4.832 779 HA SER 97 HA SER 97 10.367 2.836 6.797 780 1HB SER 97 1HB SER 97 9.424 0.393 6.323 781 2HB SER 97 2HB SER 97 10.791 -0.114 7.295 782 HG SER 97 HG SER 97 8.816 1.832 8.137 783 H SER 98 H SER 98 11.928 3.853 7.996 784 HA SER 98 HA SER 98 13.867 2.455 9.357 785 1HB SER 98 1HB SER 98 14.916 2.190 7.102 786 2HB SER 98 2HB SER 98 14.962 3.932 6.921 787 HG SER 98 HG SER 98 16.179 3.714 9.163 788 H GLY 99 H GLY 99 13.229 3.788 11.087 789 1HA GLY 99 1HA GLY 99 12.743 6.523 10.962 790 2HA GLY 99 2HA GLY 99 13.180 5.613 12.394 Start of MODEL 12 1 1H GLY 1 H GLY 1 -8.237 -5.295 15.734 2 1HA GLY 1 1HA GLY 1 -5.958 -7.043 16.445 3 2HA GLY 1 2HA GLY 1 -7.622 -7.484 16.770 4 H SER 2 H SER 2 -7.584 -9.343 15.403 5 HA SER 2 HA SER 2 -7.801 -10.466 13.559 6 1HB SER 2 1HB SER 2 -9.134 -7.948 13.051 7 2HB SER 2 2HB SER 2 -8.411 -8.506 11.555 8 HG SER 2 HG SER 2 -10.483 -9.669 13.115 9 H SER 3 H SER 3 -5.399 -10.768 13.657 10 HA SER 3 HA SER 3 -4.105 -9.336 11.469 11 1HB SER 3 1HB SER 3 -3.166 -10.147 14.190 12 2HB SER 3 2HB SER 3 -2.002 -10.340 12.895 13 HG SER 3 HG SER 3 -1.815 -8.197 12.679 14 H GLY 4 H GLY 4 -4.453 -10.761 9.743 15 1HA GLY 4 1HA GLY 4 -3.404 -13.500 10.121 16 2HA GLY 4 2HA GLY 4 -4.891 -13.178 9.252 17 H SER 5 H SER 5 -4.347 -10.935 7.719 18 HA SER 5 HA SER 5 -2.788 -12.073 5.692 19 1HB SER 5 1HB SER 5 -3.393 -10.157 4.397 20 2HB SER 5 2HB SER 5 -4.770 -10.481 5.432 21 HG SER 5 HG SER 5 -4.560 -8.516 6.230 22 H SER 6 H SER 6 -0.806 -11.136 4.703 23 HA SER 6 HA SER 6 0.669 -9.416 6.511 24 1HB SER 6 1HB SER 6 2.710 -10.853 6.207 25 2HB SER 6 2HB SER 6 1.436 -11.633 7.123 26 HG SER 6 HG SER 6 2.343 -13.058 5.511 27 H GLY 7 H GLY 7 1.240 -11.348 3.472 28 1HA GLY 7 1HA GLY 7 2.817 -9.476 2.176 29 2HA GLY 7 2HA GLY 7 1.858 -10.723 1.404 30 H LEU 8 H LEU 8 -0.716 -10.146 1.584 31 HA LEU 8 HA LEU 8 -1.249 -8.212 -0.196 32 1HB LEU 8 1HB LEU 8 -2.909 -9.199 2.119 33 2HB LEU 8 2HB LEU 8 -3.539 -8.122 0.889 34 HG LEU 8 HG LEU 8 -2.415 -10.892 0.384 35 1HD1 LEU 8 1HD1 LEU 8 -5.243 -9.869 0.655 36 2HD1 LEU 8 2HD1 LEU 8 -4.847 -11.376 -0.207 37 3HD1 LEU 8 3HD1 LEU 8 -4.450 -11.208 1.520 38 1HD2 LEU 8 1HD2 LEU 8 -2.039 -9.467 -1.532 39 2HD2 LEU 8 2HD2 LEU 8 -3.354 -10.613 -1.888 40 3HD2 LEU 8 3HD2 LEU 8 -3.731 -8.917 -1.500 41 H LYS 9 H LYS 9 -1.272 -7.770 3.408 42 HA LYS 9 HA LYS 9 -1.961 -5.161 3.539 43 1HB LYS 9 1HB LYS 9 -0.458 -7.050 5.194 44 2HB LYS 9 2HB LYS 9 0.049 -5.392 5.445 45 1HG LYS 9 1HG LYS 9 -2.284 -4.697 5.869 46 2HG LYS 9 2HG LYS 9 -2.866 -6.306 5.492 47 1HD LYS 9 1HD LYS 9 -1.006 -6.905 7.426 48 2HD LYS 9 2HD LYS 9 -1.500 -5.310 7.957 49 1HE LYS 9 1HE LYS 9 -3.949 -6.475 7.357 50 2HE LYS 9 2HE LYS 9 -3.039 -7.855 7.937 51 1HZ LYS 9 1HZ LYS 9 -4.069 -6.768 9.756 52 2HZ LYS 9 2HZ LYS 9 -2.461 -6.519 9.891 53 3HZ LYS 9 3HZ LYS 9 -3.432 -5.317 9.362 54 H GLN 10 H GLN 10 1.475 -6.336 3.301 55 HA GLN 10 HA GLN 10 2.542 -3.838 2.929 56 1HB GLN 10 1HB GLN 10 3.483 -6.474 3.057 57 2HB GLN 10 2HB GLN 10 3.964 -5.956 1.454 58 1HG GLN 10 1HG GLN 10 4.758 -3.750 2.733 59 2HG GLN 10 2HG GLN 10 4.757 -4.802 4.135 60 1HE2 GLN 10 1HE2 GLN 10 6.582 -3.608 1.692 61 2HE2 GLN 10 2HE2 GLN 10 7.828 -4.805 1.576 62 H LYS 11 H LYS 11 1.346 -6.252 0.520 63 HA LYS 11 HA LYS 11 2.157 -4.932 -1.767 64 1HB LYS 11 1HB LYS 11 -0.157 -6.790 -1.191 65 2HB LYS 11 2HB LYS 11 0.177 -6.185 -2.801 66 1HG LYS 11 1HG LYS 11 2.124 -7.425 -3.025 67 2HG LYS 11 2HG LYS 11 2.530 -7.304 -1.325 68 1HD LYS 11 1HD LYS 11 1.561 -9.307 -0.873 69 2HD LYS 11 2HD LYS 11 0.057 -8.815 -1.625 70 1HE LYS 11 1HE LYS 11 2.415 -9.588 -3.369 71 2HE LYS 11 2HE LYS 11 1.438 -10.843 -2.634 72 1HZ LYS 11 1HZ LYS 11 0.857 -9.520 -4.909 73 2HZ LYS 11 2HZ LYS 11 -0.190 -10.433 -4.050 74 3HZ LYS 11 3HZ LYS 11 -0.143 -8.816 -3.826 75 H VAL 12 H VAL 12 -1.223 -4.911 -0.427 76 HA VAL 12 HA VAL 12 -2.181 -2.874 -1.948 77 HB VAL 12 HB VAL 12 -2.797 -3.482 0.950 78 1HG1 VAL 12 1HG1 VAL 12 -3.668 -1.285 -0.003 79 2HG1 VAL 12 2HG1 VAL 12 -4.660 -2.269 -1.105 80 3HG1 VAL 12 3HG1 VAL 12 -4.888 -2.402 0.655 81 1HG2 VAL 12 1HG2 VAL 12 -4.776 -4.693 -0.390 82 2HG2 VAL 12 2HG2 VAL 12 -3.496 -4.827 -1.619 83 3HG2 VAL 12 3HG2 VAL 12 -3.245 -5.511 0.005 84 H GLU 13 H GLU 13 0.142 -2.740 0.701 85 HA GLU 13 HA GLU 13 -0.223 -0.086 1.400 86 1HB GLU 13 1HB GLU 13 1.464 -2.204 2.150 87 2HB GLU 13 2HB GLU 13 2.572 -0.988 1.548 88 1HG GLU 13 1HG GLU 13 0.362 -0.340 3.548 89 2HG GLU 13 2HG GLU 13 1.966 -0.840 4.047 90 H ASN 14 H ASN 14 2.495 -1.468 -0.595 91 HA ASN 14 HA ASN 14 3.445 0.897 -1.494 92 1HB ASN 14 1HB ASN 14 3.410 -1.919 -2.593 93 2HB ASN 14 2HB ASN 14 3.984 -0.650 -3.657 94 1HD2 ASN 14 1HD2 ASN 14 4.520 -2.446 -0.735 95 2HD2 ASN 14 2HD2 ASN 14 6.145 -1.941 -0.415 96 H LEU 15 H LEU 15 0.641 -1.043 -2.578 97 HA LEU 15 HA LEU 15 0.196 -0.013 -5.076 98 1HB LEU 15 1HB LEU 15 -1.184 -1.736 -4.598 99 2HB LEU 15 2HB LEU 15 -1.438 -1.239 -2.937 100 HG LEU 15 HG LEU 15 -2.981 0.539 -3.709 101 1HD1 LEU 15 1HD1 LEU 15 -3.701 0.739 -5.963 102 2HD1 LEU 15 2HD1 LEU 15 -1.921 0.765 -5.985 103 3HD1 LEU 15 3HD1 LEU 15 -2.796 -0.712 -6.457 104 1HD2 LEU 15 1HD2 LEU 15 -4.141 -1.322 -3.000 105 2HD2 LEU 15 2HD2 LEU 15 -4.745 -1.137 -4.664 106 3HD2 LEU 15 3HD2 LEU 15 -3.501 -2.356 -4.300 107 H PHE 16 H PHE 16 -1.539 1.149 -2.099 108 HA PHE 16 HA PHE 16 -2.614 3.389 -3.136 109 1HB PHE 16 1HB PHE 16 -1.270 2.821 -0.431 110 2HB PHE 16 2HB PHE 16 -2.244 4.254 -0.692 111 HD1 PHE 16 1HD PHE 16 -4.547 3.350 -2.151 112 HD2 PHE 16 2HD PHE 16 -2.417 1.364 0.936 113 HE1 PHE 16 1HE PHE 16 -6.613 2.054 -1.559 114 HE2 PHE 16 2HE PHE 16 -4.483 0.068 1.528 115 HZ PHE 16 HZ PHE 16 -6.556 0.428 0.273 116 H ASN 17 H ASN 17 0.669 3.161 -1.587 117 HA ASN 17 HA ASN 17 1.373 5.754 -1.815 118 1HB ASN 17 1HB ASN 17 3.036 3.210 -2.139 119 2HB ASN 17 2HB ASN 17 3.781 4.795 -2.088 120 1HD2 ASN 17 1HD2 ASN 17 4.811 4.729 -0.200 121 2HD2 ASN 17 2HD2 ASN 17 4.074 4.522 1.354 122 H GLU 18 H GLU 18 2.420 3.113 -4.113 123 HA GLU 18 HA GLU 18 3.512 4.567 -6.037 124 1HB GLU 18 1HB GLU 18 2.200 1.964 -5.869 125 2HB GLU 18 2HB GLU 18 1.959 2.665 -7.457 126 1HG GLU 18 1HG GLU 18 4.721 3.052 -6.522 127 2HG GLU 18 2HG GLU 18 4.282 1.356 -6.532 128 H LYS 19 H LYS 19 -0.037 3.783 -5.875 129 HA LYS 19 HA LYS 19 -0.864 5.117 -8.095 130 1HB LYS 19 1HB LYS 19 -2.267 4.874 -5.417 131 2HB LYS 19 2HB LYS 19 -3.043 5.341 -6.917 132 1HG LYS 19 1HG LYS 19 -1.483 2.736 -6.631 133 2HG LYS 19 2HG LYS 19 -3.194 2.847 -6.269 134 1HD LYS 19 1HD LYS 19 -2.192 3.886 -8.930 135 2HD LYS 19 2HD LYS 19 -2.365 2.156 -8.707 136 1HE LYS 19 1HE LYS 19 -4.562 2.422 -9.235 137 2HE LYS 19 2HE LYS 19 -4.763 3.160 -7.658 138 1HZ LYS 19 1HZ LYS 19 -3.704 4.948 -9.603 139 2HZ LYS 19 2HZ LYS 19 -5.184 4.385 -10.001 140 3HZ LYS 19 3HZ LYS 19 -4.958 5.151 -8.577 141 H CYS 20 H CYS 20 -0.489 6.492 -4.754 142 HA CYS 20 HA CYS 20 -1.293 9.009 -5.181 143 1HB CYS 20 1HB CYS 20 0.425 7.677 -3.296 144 2HB CYS 20 2HB CYS 20 1.117 9.240 -3.681 145 HG CYS 20 HG CYS 20 -0.217 10.066 -1.831 146 H GLY 21 H GLY 21 2.145 7.863 -5.608 147 1HA GLY 21 1HA GLY 21 3.239 10.099 -6.728 148 2HA GLY 21 2HA GLY 21 3.725 8.457 -7.100 149 H GLU 22 H GLU 22 1.353 7.478 -8.373 150 HA GLU 22 HA GLU 22 1.803 8.333 -10.941 151 1HB GLU 22 1HB GLU 22 0.303 6.330 -9.671 152 2HB GLU 22 2HB GLU 22 -0.909 7.267 -10.524 153 1HG GLU 22 1HG GLU 22 1.571 6.689 -12.087 154 2HG GLU 22 2HG GLU 22 0.608 5.282 -11.680 155 H ALA 23 H ALA 23 -0.679 9.335 -8.529 156 HA ALA 23 HA ALA 23 -2.289 10.844 -10.179 157 1HB ALA 23 1HB ALA 23 -3.041 11.893 -8.140 158 2HB ALA 23 2HB ALA 23 -2.658 10.196 -7.763 159 3HB ALA 23 3HB ALA 23 -1.521 11.487 -7.307 160 H LEU 24 H LEU 24 0.565 11.934 -8.203 161 HA LEU 24 HA LEU 24 0.533 14.517 -9.360 162 1HB LEU 24 1HB LEU 24 2.670 13.054 -7.805 163 2HB LEU 24 2HB LEU 24 2.703 14.759 -8.209 164 HG LEU 24 HG LEU 24 0.226 14.355 -6.934 165 1HD1 LEU 24 1HD1 LEU 24 2.377 12.624 -5.791 166 2HD1 LEU 24 2HD1 LEU 24 1.290 13.487 -4.677 167 3HD1 LEU 24 3HD1 LEU 24 0.618 12.363 -5.883 168 1HD2 LEU 24 1HD2 LEU 24 2.786 15.483 -5.770 169 2HD2 LEU 24 2HD2 LEU 24 1.680 16.357 -6.857 170 3HD2 LEU 24 3HD2 LEU 24 1.121 15.836 -5.249 171 H GLY 25 H GLY 25 1.510 11.422 -10.499 172 1HA GLY 25 1HA GLY 25 2.284 10.918 -12.584 173 2HA GLY 25 2HA GLY 25 2.610 12.612 -12.892 174 H LEU 26 H LEU 26 3.772 9.833 -10.865 175 HA LEU 26 HA LEU 26 6.493 10.802 -11.371 176 1HB LEU 26 1HB LEU 26 5.411 9.757 -8.750 177 2HB LEU 26 2HB LEU 26 7.098 10.088 -9.089 178 HG LEU 26 HG LEU 26 4.861 12.134 -9.059 179 1HD1 LEU 26 1HD1 LEU 26 6.833 12.741 -7.141 180 2HD1 LEU 26 2HD1 LEU 26 5.159 12.205 -6.863 181 3HD1 LEU 26 3HD1 LEU 26 6.472 11.007 -6.956 182 1HD2 LEU 26 1HD2 LEU 26 6.588 13.821 -9.336 183 2HD2 LEU 26 2HD2 LEU 26 7.839 12.558 -9.429 184 3HD2 LEU 26 3HD2 LEU 26 6.605 12.683 -10.705 185 H LYS 27 H LYS 27 8.147 9.031 -11.178 186 HA LYS 27 HA LYS 27 6.977 6.591 -12.268 187 1HB LYS 27 1HB LYS 27 9.504 8.078 -12.632 188 2HB LYS 27 2HB LYS 27 9.688 6.338 -12.556 189 1HG LYS 27 1HG LYS 27 7.375 7.125 -14.206 190 2HG LYS 27 2HG LYS 27 8.867 7.829 -14.796 191 1HD LYS 27 1HD LYS 27 9.848 5.745 -15.244 192 2HD LYS 27 2HD LYS 27 8.901 4.913 -14.027 193 1HE LYS 27 1HE LYS 27 6.833 5.357 -15.502 194 2HE LYS 27 2HE LYS 27 7.938 5.898 -16.750 195 1HZ LYS 27 1HZ LYS 27 8.501 3.343 -15.521 196 2HZ LYS 27 2HZ LYS 27 7.214 3.413 -16.523 197 3HZ LYS 27 3HZ LYS 27 8.698 3.818 -17.071 198 H GLN 28 H GLN 28 7.481 7.747 -9.280 199 HA GLN 28 HA GLN 28 8.320 5.122 -8.344 200 1HB GLN 28 1HB GLN 28 9.576 6.189 -6.494 201 2HB GLN 28 2HB GLN 28 10.227 6.650 -8.054 202 1HG GLN 28 1HG GLN 28 8.427 8.665 -7.748 203 2HG GLN 28 2HG GLN 28 8.714 8.310 -6.057 204 1HE2 GLN 28 1HE2 GLN 28 9.919 9.686 -8.943 205 2HE2 GLN 28 2HE2 GLN 28 11.456 10.242 -8.370 206 H ALA 29 H ALA 29 7.879 5.261 -5.673 207 HA ALA 29 HA ALA 29 5.019 5.795 -5.574 208 1HB ALA 29 1HB ALA 29 4.944 4.181 -3.904 209 2HB ALA 29 2HB ALA 29 6.329 3.606 -4.863 210 3HB ALA 29 3HB ALA 29 6.604 4.515 -3.358 211 H VAL 30 H VAL 30 4.104 6.860 -3.609 212 HA VAL 30 HA VAL 30 5.995 8.646 -2.285 213 HB VAL 30 HB VAL 30 3.434 9.617 -3.559 214 1HG1 VAL 30 1HG1 VAL 30 4.740 11.852 -3.201 215 2HG1 VAL 30 2HG1 VAL 30 3.908 11.089 -1.825 216 3HG1 VAL 30 3HG1 VAL 30 5.669 10.909 -2.011 217 1HG2 VAL 30 1HG2 VAL 30 5.126 8.876 -5.259 218 2HG2 VAL 30 2HG2 VAL 30 4.730 10.610 -5.324 219 3HG2 VAL 30 3HG2 VAL 30 6.255 10.073 -4.580 220 H LYS 31 H LYS 31 5.695 8.475 -0.129 221 HA LYS 31 HA LYS 31 3.883 6.882 1.075 222 1HB LYS 31 1HB LYS 31 5.920 8.523 1.890 223 2HB LYS 31 2HB LYS 31 4.536 9.317 2.613 224 1HG LYS 31 1HG LYS 31 3.932 6.715 3.214 225 2HG LYS 31 2HG LYS 31 5.681 6.606 3.174 226 1HD LYS 31 1HD LYS 31 4.345 8.857 4.707 227 2HD LYS 31 2HD LYS 31 4.466 7.264 5.428 228 1HE LYS 31 1HE LYS 31 7.013 7.405 4.762 229 2HE LYS 31 2HE LYS 31 6.717 9.124 4.591 230 1HZ LYS 31 1HZ LYS 31 5.711 8.927 6.894 231 2HZ LYS 31 2HZ LYS 31 6.475 7.488 6.997 232 3HZ LYS 31 3HZ LYS 31 7.339 8.856 6.777 233 H VAL 32 H VAL 32 1.707 6.817 1.105 234 HA VAL 32 HA VAL 32 0.168 8.973 0.158 235 HB VAL 32 HB VAL 32 -0.507 6.417 1.619 236 1HG1 VAL 32 1HG1 VAL 32 -2.168 8.690 1.292 237 2HG1 VAL 32 2HG1 VAL 32 -2.721 7.475 0.115 238 3HG1 VAL 32 3HG1 VAL 32 -2.629 7.061 1.843 239 1HG2 VAL 32 1HG2 VAL 32 0.034 7.140 -1.169 240 2HG2 VAL 32 2HG2 VAL 32 -0.006 5.543 -0.385 241 3HG2 VAL 32 3HG2 VAL 32 -1.516 6.291 -0.957 242 HA PRO 33 HA PRO 33 0.164 11.132 3.977 243 1HB PRO 33 1HB PRO 33 -0.877 13.471 3.022 244 2HB PRO 33 2HB PRO 33 0.837 13.105 2.999 245 1HG PRO 33 1HG PRO 33 -1.091 13.091 0.758 246 2HG PRO 33 2HG PRO 33 0.659 13.149 0.700 247 1HD PRO 33 1HD PRO 33 -1.000 10.867 0.184 248 2HD PRO 33 2HD PRO 33 0.751 10.898 0.240 249 H PHE 34 H PHE 34 -1.502 9.255 4.269 250 HA PHE 34 HA PHE 34 -4.131 9.550 3.891 251 1HB PHE 34 1HB PHE 34 -2.439 8.616 6.264 252 2HB PHE 34 2HB PHE 34 -4.184 8.478 6.343 253 HD1 PHE 34 1HD PHE 34 -5.379 6.970 4.789 254 HD2 PHE 34 2HD PHE 34 -1.140 7.139 4.894 255 HE1 PHE 34 1HE PHE 34 -5.261 4.784 3.559 256 HE2 PHE 34 2HE PHE 34 -1.022 4.953 3.664 257 HZ PHE 34 HZ PHE 34 -3.084 3.802 3.012 258 H ALA 35 H ALA 35 -2.145 11.252 6.361 259 HA ALA 35 HA ALA 35 -4.174 12.295 7.902 260 1HB ALA 35 1HB ALA 35 -1.519 13.553 7.098 261 2HB ALA 35 2HB ALA 35 -2.509 14.016 8.503 262 3HB ALA 35 3HB ALA 35 -1.764 12.401 8.432 263 H LEU 36 H LEU 36 -2.661 13.614 4.882 264 HA LEU 36 HA LEU 36 -4.082 15.967 4.769 265 1HB LEU 36 1HB LEU 36 -2.818 14.180 2.723 266 2HB LEU 36 2HB LEU 36 -3.747 15.573 2.208 267 HG LEU 36 HG LEU 36 -1.300 15.613 3.995 268 1HD1 LEU 36 1HD1 LEU 36 -1.418 16.983 1.347 269 2HD1 LEU 36 2HD1 LEU 36 -0.041 16.248 2.204 270 3HD1 LEU 36 3HD1 LEU 36 -1.227 15.213 1.373 271 1HD2 LEU 36 1HD2 LEU 36 -1.906 18.209 3.069 272 2HD2 LEU 36 2HD2 LEU 36 -3.420 17.535 3.719 273 3HD2 LEU 36 3HD2 LEU 36 -1.962 17.594 4.738 274 H PHE 37 H PHE 37 -4.966 12.677 3.562 275 HA PHE 37 HA PHE 37 -7.423 13.545 2.470 276 1HB PHE 37 1HB PHE 37 -6.270 10.859 3.427 277 2HB PHE 37 2HB PHE 37 -7.799 10.969 2.579 278 HD1 PHE 37 1HD PHE 37 -4.161 11.391 2.251 279 HD2 PHE 37 2HD PHE 37 -7.880 11.324 0.209 280 HE1 PHE 37 1HE PHE 37 -2.953 11.268 0.054 281 HE2 PHE 37 2HE PHE 37 -6.672 11.201 -1.988 282 HZ PHE 37 HZ PHE 37 -4.223 11.175 -2.039 283 H GLU 38 H GLU 38 -6.325 12.905 5.713 284 HA GLU 38 HA GLU 38 -8.902 12.146 6.667 285 1HB GLU 38 1HB GLU 38 -6.298 12.862 8.078 286 2HB GLU 38 2HB GLU 38 -7.751 12.388 8.936 287 1HG GLU 38 1HG GLU 38 -6.934 10.576 6.699 288 2HG GLU 38 2HG GLU 38 -5.840 10.619 8.067 289 H SER 39 H SER 39 -6.783 15.073 6.731 290 HA SER 39 HA SER 39 -8.777 16.532 8.163 291 1HB SER 39 1HB SER 39 -5.988 17.012 7.194 292 2HB SER 39 2HB SER 39 -6.998 18.436 7.342 293 HG SER 39 HG SER 39 -7.158 18.174 9.524 294 H PHE 40 H PHE 40 -7.539 16.190 4.814 295 HA PHE 40 HA PHE 40 -9.764 17.895 3.945 296 1HB PHE 40 1HB PHE 40 -7.010 17.515 2.632 297 2HB PHE 40 2HB PHE 40 -8.226 18.682 2.151 298 HD1 PHE 40 1HD PHE 40 -8.902 20.427 3.995 299 HD2 PHE 40 2HD PHE 40 -5.295 18.191 4.034 300 HE1 PHE 40 1HE PHE 40 -7.857 22.137 5.506 301 HE2 PHE 40 2HE PHE 40 -4.251 19.902 5.545 302 HZ PHE 40 HZ PHE 40 -5.544 21.855 6.262 303 HA PRO 41 HA PRO 41 -10.080 13.797 2.026 304 1HB PRO 41 1HB PRO 41 -12.667 13.259 2.724 305 2HB PRO 41 2HB PRO 41 -11.289 12.708 3.656 306 1HG PRO 41 1HG PRO 41 -13.175 14.904 4.256 307 2HG PRO 41 2HG PRO 41 -12.079 14.071 5.341 308 1HD PRO 41 1HD PRO 41 -11.720 16.684 4.214 309 2HD PRO 41 2HD PRO 41 -10.574 15.803 5.204 310 H GLU 42 H GLU 42 -12.214 16.541 2.018 311 HA GLU 42 HA GLU 42 -13.560 15.819 -0.304 312 1HB GLU 42 1HB GLU 42 -13.059 18.471 1.089 313 2HB GLU 42 2HB GLU 42 -13.974 18.394 -0.404 314 1HG GLU 42 1HG GLU 42 -14.854 16.358 1.543 315 2HG GLU 42 2HG GLU 42 -14.988 17.984 2.183 316 H ASP 43 H ASP 43 -10.461 17.494 0.312 317 HA ASP 43 HA ASP 43 -10.196 18.269 -2.411 318 1HB ASP 43 1HB ASP 43 -8.116 18.158 -0.176 319 2HB ASP 43 2HB ASP 43 -7.918 18.994 -1.703 320 H PHE 44 H PHE 44 -8.809 15.815 -0.129 321 HA PHE 44 HA PHE 44 -7.691 14.425 -2.462 322 1HB PHE 44 1HB PHE 44 -6.897 14.188 0.494 323 2HB PHE 44 2HB PHE 44 -5.968 13.633 -0.885 324 HD1 PHE 44 1HD PHE 44 -5.470 15.655 -2.639 325 HD2 PHE 44 2HD PHE 44 -6.115 16.080 1.534 326 HE1 PHE 44 1HE PHE 44 -4.211 17.826 -2.665 327 HE2 PHE 44 2HE PHE 44 -4.856 18.252 1.507 328 HZ PHE 44 HZ PHE 44 -3.919 19.099 -0.592 329 H TYR 45 H TYR 45 -8.575 12.469 -2.940 330 HA TYR 45 HA TYR 45 -9.466 10.731 -0.847 331 1HB TYR 45 1HB TYR 45 -11.833 10.711 -1.781 332 2HB TYR 45 2HB TYR 45 -11.418 12.276 -1.110 333 HD1 TYR 45 1HD TYR 45 -12.381 10.457 -4.092 334 HD2 TYR 45 2HD TYR 45 -10.795 14.166 -2.666 335 HE1 TYR 45 1HE TYR 45 -12.974 11.568 -6.301 336 HE2 TYR 45 2HE TYR 45 -11.393 15.264 -4.879 337 HH TYR 45 HH TYR 45 -12.137 14.969 -6.889 338 H VAL 46 H VAL 46 -9.910 8.572 -1.627 339 HA VAL 46 HA VAL 46 -8.756 8.155 -4.281 340 HB VAL 46 HB VAL 46 -9.041 6.477 -1.801 341 1HG1 VAL 46 1HG1 VAL 46 -8.162 5.460 -4.524 342 2HG1 VAL 46 2HG1 VAL 46 -8.211 4.538 -3.002 343 3HG1 VAL 46 3HG1 VAL 46 -9.724 5.098 -3.752 344 1HG2 VAL 46 1HG2 VAL 46 -7.096 8.040 -2.089 345 2HG2 VAL 46 2HG2 VAL 46 -6.645 6.328 -1.904 346 3HG2 VAL 46 3HG2 VAL 46 -6.612 7.089 -3.513 347 H GLU 47 H GLU 47 -9.810 6.813 -5.840 348 HA GLU 47 HA GLU 47 -12.596 6.264 -5.195 349 1HB GLU 47 1HB GLU 47 -11.485 7.693 -7.635 350 2HB GLU 47 2HB GLU 47 -13.045 6.896 -7.682 351 1HG GLU 47 1HG GLU 47 -12.702 8.607 -5.289 352 2HG GLU 47 2HG GLU 47 -12.570 9.503 -6.790 353 H GLY 48 H GLY 48 -13.424 5.003 -7.509 354 1HA GLY 48 1HA GLY 48 -13.338 3.052 -8.618 355 2HA GLY 48 2HA GLY 48 -11.602 3.264 -8.723 356 H LEU 49 H LEU 49 -13.239 3.178 -5.563 357 HA LEU 49 HA LEU 49 -11.660 0.888 -4.845 358 1HB LEU 49 1HB LEU 49 -13.420 2.844 -3.429 359 2HB LEU 49 2HB LEU 49 -13.063 1.312 -2.656 360 HG LEU 49 HG LEU 49 -10.830 3.035 -3.711 361 1HD1 LEU 49 1HD1 LEU 49 -12.654 4.049 -1.918 362 2HD1 LEU 49 2HD1 LEU 49 -11.396 3.374 -0.855 363 3HD1 LEU 49 3HD1 LEU 49 -10.962 4.574 -2.097 364 1HD2 LEU 49 1HD2 LEU 49 -9.519 1.915 -2.005 365 2HD2 LEU 49 2HD2 LEU 49 -10.968 1.075 -1.403 366 3HD2 LEU 49 3HD2 LEU 49 -10.343 0.717 -3.031 367 HA PRO 50 HA PRO 50 -14.728 -2.090 -5.424 368 1HB PRO 50 1HB PRO 50 -14.060 -3.979 -3.565 369 2HB PRO 50 2HB PRO 50 -13.234 -3.812 -5.102 370 1HG PRO 50 1HG PRO 50 -12.315 -3.015 -2.407 371 2HG PRO 50 2HG PRO 50 -11.370 -3.252 -3.864 372 1HD PRO 50 1HD PRO 50 -12.150 -0.743 -2.712 373 2HD PRO 50 2HD PRO 50 -11.305 -0.983 -4.229 374 H GLU 51 H GLU 51 -16.821 -2.633 -4.958 375 HA GLU 51 HA GLU 51 -18.718 -2.058 -3.974 376 1HB GLU 51 1HB GLU 51 -17.690 -4.259 -2.900 377 2HB GLU 51 2HB GLU 51 -17.603 -3.284 -1.446 378 1HG GLU 51 1HG GLU 51 -19.773 -3.877 -1.096 379 2HG GLU 51 2HG GLU 51 -20.173 -2.725 -2.354 380 H GLY 52 H GLY 52 -18.919 -1.827 -0.885 381 1HA GLY 52 1HA GLY 52 -18.565 1.054 -0.820 382 2HA GLY 52 2HA GLY 52 -19.380 0.045 0.358 383 H VAL 53 H VAL 53 -16.098 -0.630 -0.925 384 HA VAL 53 HA VAL 53 -15.058 -0.813 1.706 385 HB VAL 53 HB VAL 53 -13.711 -0.776 -1.003 386 1HG1 VAL 53 1HG1 VAL 53 -12.680 -1.120 1.770 387 2HG1 VAL 53 2HG1 VAL 53 -12.051 -2.234 0.532 388 3HG1 VAL 53 3HG1 VAL 53 -11.880 -0.476 0.316 389 1HG2 VAL 53 1HG2 VAL 53 -15.512 -2.612 -0.166 390 2HG2 VAL 53 2HG2 VAL 53 -14.129 -2.996 -1.219 391 3HG2 VAL 53 3HG2 VAL 53 -14.027 -3.300 0.532 392 HA PRO 54 HA PRO 54 -14.253 3.489 1.980 393 1HB PRO 54 1HB PRO 54 -13.663 3.536 4.648 394 2HB PRO 54 2HB PRO 54 -15.295 3.671 4.025 395 1HG PRO 54 1HG PRO 54 -13.991 1.356 5.321 396 2HG PRO 54 2HG PRO 54 -15.700 1.662 5.083 397 1HD PRO 54 1HD PRO 54 -14.055 -0.146 3.582 398 2HD PRO 54 2HD PRO 54 -15.734 0.247 3.271 399 H PHE 55 H PHE 55 -12.517 4.471 1.179 400 HA PHE 55 HA PHE 55 -10.115 3.218 0.957 401 1HB PHE 55 1HB PHE 55 -10.771 5.288 -0.241 402 2HB PHE 55 2HB PHE 55 -10.923 6.166 1.268 403 HD1 PHE 55 1HD PHE 55 -9.393 7.913 0.956 404 HD2 PHE 55 2HD PHE 55 -8.143 3.916 0.271 405 HE1 PHE 55 1HE PHE 55 -7.016 8.693 0.742 406 HE2 PHE 55 2HE PHE 55 -5.766 4.696 0.057 407 HZ PHE 55 HZ PHE 55 -5.232 7.075 0.294 408 H ARG 56 H ARG 56 -9.404 2.154 2.861 409 HA ARG 56 HA ARG 56 -8.476 4.025 4.889 410 1HB ARG 56 1HB ARG 56 -9.927 1.391 5.175 411 2HB ARG 56 2HB ARG 56 -8.722 1.787 6.383 412 1HG ARG 56 1HG ARG 56 -10.619 3.997 5.705 413 2HG ARG 56 2HG ARG 56 -11.341 2.611 6.498 414 1HD ARG 56 1HD ARG 56 -8.789 3.415 7.755 415 2HD ARG 56 2HD ARG 56 -9.973 4.706 7.769 416 HE ARG 56 HE ARG 56 -11.040 2.094 8.600 417 1HH1 ARG 56 2HH2 ARG 56 -9.524 5.090 9.654 418 2HH1 ARG 56 1HH2 ARG 56 -10.075 4.942 11.289 419 1HH2 ARG 56 2HH1 ARG 56 -11.766 1.898 10.757 420 2HH2 ARG 56 1HH1 ARG 56 -11.358 3.114 11.921 421 H ARG 57 H ARG 57 -6.867 2.395 6.434 422 HA ARG 57 HA ARG 57 -4.712 1.965 4.676 423 1HB ARG 57 1HB ARG 57 -4.946 1.148 7.615 424 2HB ARG 57 2HB ARG 57 -3.458 1.384 6.720 425 1HG ARG 57 1HG ARG 57 -3.741 3.745 6.611 426 2HG ARG 57 2HG ARG 57 -5.462 3.652 6.930 427 1HD ARG 57 1HD ARG 57 -4.846 2.718 9.263 428 2HD ARG 57 2HD ARG 57 -3.191 3.171 8.909 429 HE ARG 57 HE ARG 57 -3.759 5.400 9.301 430 1HH1 ARG 57 2HH2 ARG 57 -6.694 3.596 8.585 431 2HH1 ARG 57 1HH2 ARG 57 -7.748 4.932 8.912 432 1HH2 ARG 57 2HH1 ARG 57 -5.148 7.163 9.733 433 2HH2 ARG 57 1HH1 ARG 57 -6.862 6.974 9.569 434 HA PRO 58 HA PRO 58 -5.227 -2.318 4.033 435 1HB PRO 58 1HB PRO 58 -2.671 -3.113 3.482 436 2HB PRO 58 2HB PRO 58 -3.705 -2.328 2.305 437 1HG PRO 58 1HG PRO 58 -1.421 -1.204 3.808 438 2HG PRO 58 2HG PRO 58 -2.183 -0.595 2.352 439 1HD PRO 58 1HD PRO 58 -2.514 0.419 5.014 440 2HD PRO 58 2HD PRO 58 -3.363 0.951 3.577 441 H SER 59 H SER 59 -3.221 -1.200 6.549 442 HA SER 59 HA SER 59 -2.901 -3.837 7.614 443 1HB SER 59 1HB SER 59 -1.602 -2.769 9.360 444 2HB SER 59 2HB SER 59 -1.142 -2.051 7.829 445 HG SER 59 HG SER 59 -1.460 -0.286 9.114 446 H THR 60 H THR 60 -5.521 -3.763 7.400 447 HA THR 60 HA THR 60 -6.494 -3.858 10.029 448 HB THR 60 HB THR 60 -6.455 -1.228 8.867 449 HG1 THR 60 1HG THR 60 -6.448 -1.372 11.099 450 1HG2 THR 60 1HG2 THR 60 -8.880 -0.667 9.085 451 2HG2 THR 60 2HG2 THR 60 -8.617 -1.800 7.738 452 3HG2 THR 60 3HG2 THR 60 -9.259 -2.394 9.287 453 H PHE 61 H PHE 61 -7.267 -3.387 6.544 454 HA PHE 61 HA PHE 61 -9.783 -4.487 6.567 455 1HB PHE 61 1HB PHE 61 -7.425 -4.486 4.608 456 2HB PHE 61 2HB PHE 61 -8.963 -5.183 4.141 457 HD1 PHE 61 1HD PHE 61 -7.230 -2.586 3.279 458 HD2 PHE 61 2HD PHE 61 -10.859 -3.266 5.371 459 HE1 PHE 61 1HE PHE 61 -8.051 -0.315 2.593 460 HE2 PHE 61 2HE PHE 61 -11.680 -0.996 4.684 461 HZ PHE 61 HZ PHE 61 -10.266 0.453 3.303 462 H GLY 62 H GLY 62 -10.097 -6.683 5.070 463 1HA GLY 62 1HA GLY 62 -8.959 -8.791 6.760 464 2HA GLY 62 2HA GLY 62 -10.370 -8.904 5.726 465 H ILE 63 H ILE 63 -8.918 -10.996 5.281 466 HA ILE 63 HA ILE 63 -6.658 -10.647 3.631 467 HB ILE 63 HB ILE 63 -8.460 -12.936 4.342 468 1HG1 ILE 63 1HG1 ILE 63 -5.488 -12.839 4.725 469 2HG1 ILE 63 2HG1 ILE 63 -6.504 -11.865 5.770 470 1HG2 ILE 63 1HG2 ILE 63 -8.015 -13.609 2.176 471 2HG2 ILE 63 2HG2 ILE 63 -6.414 -12.833 2.145 472 3HG2 ILE 63 3HG2 ILE 63 -6.659 -14.329 3.077 473 1HD1 ILE 63 1HD1 ILE 63 -7.541 -14.610 5.416 474 2HD1 ILE 63 2HD1 ILE 63 -5.921 -14.557 6.150 475 3HD1 ILE 63 3HD1 ILE 63 -7.272 -13.682 6.911 476 HA PRO 64 HA PRO 64 -9.874 -11.227 0.203 477 1HB PRO 64 1HB PRO 64 -12.521 -10.859 0.775 478 2HB PRO 64 2HB PRO 64 -11.763 -12.438 0.718 479 1HG PRO 64 1HG PRO 64 -12.589 -10.863 3.079 480 2HG PRO 64 2HG PRO 64 -12.235 -12.575 2.972 481 1HD PRO 64 1HD PRO 64 -10.538 -10.537 4.063 482 2HD PRO 64 2HD PRO 64 -10.138 -12.230 3.849 483 H ARG 65 H ARG 65 -11.269 -8.898 2.470 484 HA ARG 65 HA ARG 65 -11.962 -7.027 0.679 485 1HB ARG 65 1HB ARG 65 -11.404 -7.138 3.527 486 2HB ARG 65 2HB ARG 65 -10.770 -5.630 2.899 487 1HG ARG 65 1HG ARG 65 -13.114 -5.470 1.662 488 2HG ARG 65 2HG ARG 65 -13.627 -6.640 2.862 489 1HD ARG 65 1HD ARG 65 -12.160 -4.631 4.283 490 2HD ARG 65 2HD ARG 65 -13.215 -3.775 3.175 491 HE ARG 65 HE ARG 65 -14.530 -5.959 4.647 492 1HH1 ARG 65 2HH2 ARG 65 -13.734 -2.531 4.610 493 2HH1 ARG 65 1HH2 ARG 65 -15.001 -2.094 5.707 494 1HH2 ARG 65 2HH1 ARG 65 -16.201 -5.383 6.095 495 2HH2 ARG 65 1HH1 ARG 65 -16.414 -3.727 6.558 496 H LEU 66 H LEU 66 -8.706 -7.923 1.789 497 HA LEU 66 HA LEU 66 -7.389 -5.585 0.932 498 1HB LEU 66 1HB LEU 66 -6.593 -8.359 1.705 499 2HB LEU 66 2HB LEU 66 -5.419 -7.337 0.899 500 HG LEU 66 HG LEU 66 -6.888 -6.354 3.340 501 1HD1 LEU 66 1HD1 LEU 66 -5.653 -7.527 4.813 502 2HD1 LEU 66 2HD1 LEU 66 -5.525 -8.690 3.472 503 3HD1 LEU 66 3HD1 LEU 66 -4.209 -7.530 3.772 504 1HD2 LEU 66 1HD2 LEU 66 -4.384 -5.600 1.859 505 2HD2 LEU 66 2HD2 LEU 66 -5.749 -4.583 2.377 506 3HD2 LEU 66 3HD2 LEU 66 -4.580 -5.183 3.578 507 H GLU 67 H GLU 67 -7.832 -8.852 -0.588 508 HA GLU 67 HA GLU 67 -6.498 -8.243 -2.909 509 1HB GLU 67 1HB GLU 67 -8.588 -10.252 -2.108 510 2HB GLU 67 2HB GLU 67 -8.255 -10.072 -3.819 511 1HG GLU 67 1HG GLU 67 -5.830 -10.228 -2.086 512 2HG GLU 67 2HG GLU 67 -6.807 -11.683 -2.110 513 H LYS 68 H LYS 68 -9.899 -7.658 -1.920 514 HA LYS 68 HA LYS 68 -11.037 -7.051 -4.319 515 1HB LYS 68 1HB LYS 68 -11.486 -5.641 -1.670 516 2HB LYS 68 2HB LYS 68 -12.586 -5.641 -3.034 517 1HG LYS 68 1HG LYS 68 -12.257 -8.328 -2.773 518 2HG LYS 68 2HG LYS 68 -11.934 -7.860 -1.115 519 1HD LYS 68 1HD LYS 68 -14.103 -6.658 -1.001 520 2HD LYS 68 2HD LYS 68 -14.420 -7.026 -2.684 521 1HE LYS 68 1HE LYS 68 -13.774 -9.486 -1.260 522 2HE LYS 68 2HE LYS 68 -15.043 -8.633 -0.404 523 1HZ LYS 68 1HZ LYS 68 -15.141 -9.917 -2.933 524 2HZ LYS 68 2HZ LYS 68 -16.361 -9.512 -1.927 525 3HZ LYS 68 3HZ LYS 68 -15.774 -8.412 -2.982 526 H ILE 69 H ILE 69 -9.066 -4.884 -2.189 527 HA ILE 69 HA ILE 69 -9.292 -2.643 -3.847 528 HB ILE 69 HB ILE 69 -7.438 -3.513 -1.664 529 1HG1 ILE 69 1HG1 ILE 69 -8.855 -0.936 -1.530 530 2HG1 ILE 69 2HG1 ILE 69 -9.919 -2.320 -1.681 531 1HG2 ILE 69 1HG2 ILE 69 -5.903 -2.361 -3.040 532 2HG2 ILE 69 2HG2 ILE 69 -7.092 -1.103 -3.453 533 3HG2 ILE 69 3HG2 ILE 69 -6.427 -1.192 -1.804 534 1HD1 ILE 69 1HD1 ILE 69 -7.923 -1.692 0.502 535 2HD1 ILE 69 2HD1 ILE 69 -9.625 -2.192 0.645 536 3HD1 ILE 69 3HD1 ILE 69 -8.383 -3.384 0.193 537 H LEU 70 H LEU 70 -6.810 -5.270 -3.641 538 HA LEU 70 HA LEU 70 -5.101 -4.252 -5.563 539 1HB LEU 70 1HB LEU 70 -5.710 -7.021 -4.569 540 2HB LEU 70 2HB LEU 70 -4.549 -6.761 -5.856 541 HG LEU 70 HG LEU 70 -3.991 -4.980 -3.642 542 1HD1 LEU 70 1HD1 LEU 70 -4.829 -6.371 -2.025 543 2HD1 LEU 70 2HD1 LEU 70 -4.541 -7.846 -2.980 544 3HD1 LEU 70 3HD1 LEU 70 -3.179 -7.019 -2.187 545 1HD2 LEU 70 1HD2 LEU 70 -1.773 -6.039 -3.786 546 2HD2 LEU 70 2HD2 LEU 70 -2.434 -7.250 -4.911 547 3HD2 LEU 70 3HD2 LEU 70 -2.387 -5.533 -5.378 548 H ARG 71 H ARG 71 -7.781 -6.676 -5.962 549 HA ARG 71 HA ARG 71 -7.632 -7.153 -8.545 550 1HB ARG 71 1HB ARG 71 -10.139 -6.521 -6.916 551 2HB ARG 71 2HB ARG 71 -10.214 -7.204 -8.528 552 1HG ARG 71 1HG ARG 71 -8.899 -9.170 -7.798 553 2HG ARG 71 2HG ARG 71 -8.693 -8.474 -6.203 554 1HD ARG 71 1HD ARG 71 -11.341 -8.395 -6.169 555 2HD ARG 71 2HD ARG 71 -11.227 -9.562 -7.472 556 HE ARG 71 HE ARG 71 -9.496 -10.495 -5.448 557 1HH1 ARG 71 2HH2 ARG 71 -12.936 -9.844 -5.808 558 2HH1 ARG 71 1HH2 ARG 71 -13.414 -11.045 -4.655 559 1HH2 ARG 71 2HH1 ARG 71 -10.126 -12.079 -3.926 560 2HH2 ARG 71 1HH1 ARG 71 -11.805 -12.324 -3.577 561 H ASN 72 H ASN 72 -8.730 -4.102 -7.030 562 HA ASN 72 HA ASN 72 -9.177 -3.035 -9.702 563 1HB ASN 72 1HB ASN 72 -10.169 -2.190 -6.940 564 2HB ASN 72 2HB ASN 72 -10.276 -1.105 -8.312 565 1HD2 ASN 72 1HD2 ASN 72 -12.478 -2.028 -6.896 566 2HD2 ASN 72 2HD2 ASN 72 -13.460 -3.031 -7.911 567 H LYS 73 H LYS 73 -6.515 -3.321 -9.136 568 HA LYS 73 HA LYS 73 -5.532 -1.011 -7.717 569 1HB LYS 73 1HB LYS 73 -3.358 -1.979 -8.047 570 2HB LYS 73 2HB LYS 73 -4.459 -3.236 -7.519 571 1HG LYS 73 1HG LYS 73 -4.661 -4.138 -9.758 572 2HG LYS 73 2HG LYS 73 -3.891 -2.734 -10.470 573 1HD LYS 73 1HD LYS 73 -1.926 -3.862 -10.343 574 2HD LYS 73 2HD LYS 73 -1.992 -3.638 -8.606 575 1HE LYS 73 1HE LYS 73 -3.736 -5.844 -9.317 576 2HE LYS 73 2HE LYS 73 -2.178 -6.099 -10.077 577 1HZ LYS 73 1HZ LYS 73 -2.230 -5.255 -7.299 578 2HZ LYS 73 2HZ LYS 73 -2.595 -6.809 -7.643 579 3HZ LYS 73 3HZ LYS 73 -1.144 -6.197 -8.075 580 H ALA 74 H ALA 74 -6.842 -1.582 -10.766 581 HA ALA 74 HA ALA 74 -5.136 0.483 -11.975 582 1HB ALA 74 1HB ALA 74 -5.684 -0.467 -14.102 583 2HB ALA 74 2HB ALA 74 -5.270 -1.834 -13.039 584 3HB ALA 74 3HB ALA 74 -6.975 -1.471 -13.399 585 H LYS 75 H LYS 75 -8.454 -0.589 -11.168 586 HA LYS 75 HA LYS 75 -9.724 1.555 -12.515 587 1HB LYS 75 1HB LYS 75 -10.753 -0.209 -10.272 588 2HB LYS 75 2HB LYS 75 -11.723 0.799 -11.326 589 1HG LYS 75 1HG LYS 75 -9.856 -1.241 -12.559 590 2HG LYS 75 2HG LYS 75 -11.374 -1.784 -11.873 591 1HD LYS 75 1HD LYS 75 -12.674 -0.452 -13.386 592 2HD LYS 75 2HD LYS 75 -11.300 0.541 -13.830 593 1HE LYS 75 1HE LYS 75 -10.261 -1.745 -14.691 594 2HE LYS 75 2HE LYS 75 -11.921 -2.306 -14.668 595 1HZ LYS 75 1HZ LYS 75 -12.036 0.123 -15.867 596 2HZ LYS 75 2HZ LYS 75 -10.673 -0.537 -16.477 597 3HZ LYS 75 3HZ LYS 75 -12.097 -1.325 -16.620 598 H ILE 76 H ILE 76 -8.391 1.023 -9.235 599 HA ILE 76 HA ILE 76 -9.549 3.177 -7.959 600 HB ILE 76 HB ILE 76 -7.000 1.646 -7.623 601 1HG1 ILE 76 1HG1 ILE 76 -9.370 1.993 -5.770 602 2HG1 ILE 76 2HG1 ILE 76 -9.274 0.737 -6.988 603 1HG2 ILE 76 1HG2 ILE 76 -6.491 3.995 -7.019 604 2HG2 ILE 76 2HG2 ILE 76 -7.835 3.959 -5.853 605 3HG2 ILE 76 3HG2 ILE 76 -6.435 2.884 -5.630 606 1HD1 ILE 76 1HD1 ILE 76 -7.173 1.161 -4.815 607 2HD1 ILE 76 2HD1 ILE 76 -8.501 -0.019 -4.714 608 3HD1 ILE 76 3HD1 ILE 76 -7.250 -0.192 -5.969 609 H LYS 77 H LYS 77 -8.872 5.355 -7.574 610 HA LYS 77 HA LYS 77 -6.687 6.364 -9.168 611 1HB LYS 77 1HB LYS 77 -9.063 6.282 -10.454 612 2HB LYS 77 2HB LYS 77 -9.239 7.819 -9.631 613 1HG LYS 77 1HG LYS 77 -7.302 8.746 -10.677 614 2HG LYS 77 2HG LYS 77 -6.677 7.172 -11.127 615 1HD LYS 77 1HD LYS 77 -8.142 6.944 -12.945 616 2HD LYS 77 2HD LYS 77 -9.365 7.976 -12.232 617 1HE LYS 77 1HE LYS 77 -7.410 9.832 -12.496 618 2HE LYS 77 2HE LYS 77 -6.890 8.743 -13.767 619 1HZ LYS 77 1HZ LYS 77 -8.511 10.483 -14.427 620 2HZ LYS 77 2HZ LYS 77 -8.952 8.963 -14.831 621 3HZ LYS 77 3HZ LYS 77 -9.653 9.705 -13.557 622 H PHE 78 H PHE 78 -5.849 8.310 -8.336 623 HA PHE 78 HA PHE 78 -7.047 9.054 -5.768 624 1HB PHE 78 1HB PHE 78 -4.265 9.021 -7.024 625 2HB PHE 78 2HB PHE 78 -4.568 10.123 -5.695 626 HD1 PHE 78 1HD PHE 78 -3.979 9.375 -3.604 627 HD2 PHE 78 2HD PHE 78 -5.197 6.524 -6.501 628 HE1 PHE 78 1HE PHE 78 -3.536 7.523 -1.968 629 HE2 PHE 78 2HE PHE 78 -4.755 4.672 -4.865 630 HZ PHE 78 HZ PHE 78 -3.930 5.194 -2.619 631 H ILE 79 H ILE 79 -7.898 11.073 -5.503 632 HA ILE 79 HA ILE 79 -7.501 12.938 -7.721 633 HB ILE 79 HB ILE 79 -9.585 13.123 -5.561 634 1HG1 ILE 79 1HG1 ILE 79 -10.092 11.002 -6.349 635 2HG1 ILE 79 2HG1 ILE 79 -11.092 12.034 -7.352 636 1HG2 ILE 79 1HG2 ILE 79 -10.054 15.017 -6.620 637 2HG2 ILE 79 2HG2 ILE 79 -8.874 14.661 -7.903 638 3HG2 ILE 79 3HG2 ILE 79 -10.539 14.046 -8.031 639 1HD1 ILE 79 1HD1 ILE 79 -8.732 10.376 -8.098 640 2HD1 ILE 79 2HD1 ILE 79 -10.150 10.841 -9.069 641 3HD1 ILE 79 3HD1 ILE 79 -8.801 11.983 -8.860 642 H ILE 80 H ILE 80 -6.604 14.966 -7.421 643 HA ILE 80 HA ILE 80 -5.948 15.710 -4.675 644 HB ILE 80 HB ILE 80 -3.917 15.757 -6.904 645 1HG1 ILE 80 1HG1 ILE 80 -4.624 13.607 -4.960 646 2HG1 ILE 80 2HG1 ILE 80 -4.046 13.487 -6.610 647 1HG2 ILE 80 1HG2 ILE 80 -3.636 16.167 -3.914 648 2HG2 ILE 80 2HG2 ILE 80 -2.327 16.221 -5.119 649 3HG2 ILE 80 3HG2 ILE 80 -3.616 17.448 -5.151 650 1HD1 ILE 80 1HD1 ILE 80 -2.310 12.759 -4.992 651 2HD1 ILE 80 2HD1 ILE 80 -1.778 14.198 -5.894 652 3HD1 ILE 80 3HD1 ILE 80 -2.358 14.361 -4.219 653 H LYS 81 H LYS 81 -6.965 17.618 -4.386 654 HA LYS 81 HA LYS 81 -7.186 19.376 -6.714 655 1HB LYS 81 1HB LYS 81 -8.703 19.487 -4.092 656 2HB LYS 81 2HB LYS 81 -9.016 20.439 -5.529 657 1HG LYS 81 1HG LYS 81 -9.508 18.346 -6.811 658 2HG LYS 81 2HG LYS 81 -9.191 17.392 -5.376 659 1HD LYS 81 1HD LYS 81 -11.049 18.567 -4.181 660 2HD LYS 81 2HD LYS 81 -11.365 19.526 -5.613 661 1HE LYS 81 1HE LYS 81 -11.296 16.680 -6.295 662 2HE LYS 81 2HE LYS 81 -12.434 16.965 -4.993 663 1HZ LYS 81 1HZ LYS 81 -13.033 18.965 -6.587 664 2HZ LYS 81 2HZ LYS 81 -12.512 17.902 -7.712 665 3HZ LYS 81 3HZ LYS 81 -13.739 17.497 -6.713 666 H LYS 82 H LYS 82 -5.262 18.800 -3.981 667 HA LYS 82 HA LYS 82 -4.177 21.484 -4.205 668 1HB LYS 82 1HB LYS 82 -5.157 20.296 -1.595 669 2HB LYS 82 2HB LYS 82 -4.068 21.665 -1.696 670 1HG LYS 82 1HG LYS 82 -5.984 22.547 -3.407 671 2HG LYS 82 2HG LYS 82 -6.979 21.493 -2.424 672 1HD LYS 82 1HD LYS 82 -6.385 22.682 -0.388 673 2HD LYS 82 2HD LYS 82 -5.120 23.579 -1.204 674 1HE LYS 82 1HE LYS 82 -6.597 25.187 -1.820 675 2HE LYS 82 2HE LYS 82 -7.595 24.005 -2.644 676 1HZ LYS 82 1HZ LYS 82 -8.485 23.455 -0.392 677 2HZ LYS 82 2HZ LYS 82 -7.734 24.790 0.176 678 3HZ LYS 82 3HZ LYS 82 -8.896 24.928 -0.964 679 HA PRO 83 HA PRO 83 -1.076 18.220 -4.119 680 1HB PRO 83 1HB PRO 83 0.287 18.980 -6.363 681 2HB PRO 83 2HB PRO 83 -0.989 17.779 -6.377 682 1HG PRO 83 1HG PRO 83 -1.072 20.581 -7.313 683 2HG PRO 83 2HG PRO 83 -2.162 19.264 -7.695 684 1HD PRO 83 1HD PRO 83 -2.652 21.423 -5.871 685 2HD PRO 83 2HD PRO 83 -3.693 20.044 -6.167 686 H GLU 84 H GLU 84 -1.177 21.526 -3.825 687 HA GLU 84 HA GLU 84 1.598 21.943 -3.588 688 1HB GLU 84 1HB GLU 84 0.888 24.141 -2.575 689 2HB GLU 84 2HB GLU 84 0.165 23.813 -4.138 690 1HG GLU 84 1HG GLU 84 -1.948 23.188 -3.146 691 2HG GLU 84 2HG GLU 84 -1.252 23.086 -1.541 692 H MET 85 H MET 85 -0.891 20.627 -1.511 693 HA MET 85 HA MET 85 0.727 21.104 0.840 694 1HB MET 85 1HB MET 85 -2.044 19.850 0.424 695 2HB MET 85 2HB MET 85 -1.300 20.052 1.998 696 1HG MET 85 1HG MET 85 -1.181 22.581 0.565 697 2HG MET 85 2HG MET 85 -2.825 21.978 0.520 698 1HE MET 85 1HE MET 85 -3.110 20.273 3.148 699 2HE MET 85 2HE MET 85 -3.748 21.522 4.245 700 3HE MET 85 3HE MET 85 -4.288 21.466 2.549 701 H PHE 86 H PHE 86 0.689 18.910 -1.654 702 HA PHE 86 HA PHE 86 0.978 16.540 -0.017 703 1HB PHE 86 1HB PHE 86 0.371 17.318 -2.775 704 2HB PHE 86 2HB PHE 86 1.737 16.220 -2.801 705 HD1 PHE 86 1HD PHE 86 -1.721 16.547 -1.468 706 HD2 PHE 86 2HD PHE 86 1.388 13.919 -2.667 707 HE1 PHE 86 1HE PHE 86 -3.284 14.596 -1.246 708 HE2 PHE 86 2HE PHE 86 -0.176 11.968 -2.445 709 HZ PHE 86 HZ PHE 86 -2.493 12.330 -1.737 710 H GLU 87 H GLU 87 2.942 18.928 -1.787 711 HA GLU 87 HA GLU 87 5.226 17.593 -2.207 712 1HB GLU 87 1HB GLU 87 6.365 19.733 -2.099 713 2HB GLU 87 2HB GLU 87 4.762 20.002 -2.754 714 1HG GLU 87 1HG GLU 87 3.989 20.586 -0.383 715 2HG GLU 87 2HG GLU 87 5.667 20.513 0.116 716 H THR 88 H THR 88 4.182 19.137 0.903 717 HA THR 88 HA THR 88 6.379 18.753 2.439 718 HB THR 88 HB THR 88 3.385 18.576 2.955 719 HG1 THR 88 1HG THR 88 3.891 20.693 3.633 720 1HG2 THR 88 1HG2 THR 88 4.661 19.121 5.404 721 2HG2 THR 88 2HG2 THR 88 3.799 17.618 4.998 722 3HG2 THR 88 3HG2 THR 88 5.560 17.725 4.764 723 H ALA 89 H ALA 89 4.089 16.251 1.312 724 HA ALA 89 HA ALA 89 5.259 14.243 2.981 725 1HB ALA 89 1HB ALA 89 2.849 14.407 2.035 726 2HB ALA 89 2HB ALA 89 3.551 13.781 0.524 727 3HB ALA 89 3HB ALA 89 3.646 12.816 2.017 728 H ILE 90 H ILE 90 5.398 15.186 -0.512 729 HA ILE 90 HA ILE 90 7.024 13.139 -1.378 730 HB ILE 90 HB ILE 90 6.789 16.008 -2.281 731 1HG1 ILE 90 1HG1 ILE 90 5.668 13.697 -3.797 732 2HG1 ILE 90 2HG1 ILE 90 4.853 14.150 -2.313 733 1HG2 ILE 90 1HG2 ILE 90 8.956 14.925 -2.956 734 2HG2 ILE 90 2HG2 ILE 90 7.997 13.720 -3.849 735 3HG2 ILE 90 3HG2 ILE 90 7.910 15.439 -4.301 736 1HD1 ILE 90 1HD1 ILE 90 4.540 15.376 -4.819 737 2HD1 ILE 90 2HD1 ILE 90 3.970 16.014 -3.259 738 3HD1 ILE 90 3HD1 ILE 90 5.551 16.518 -3.902 739 H LYS 91 H LYS 91 7.775 16.051 0.521 740 HA LYS 91 HA LYS 91 10.604 15.732 0.162 741 1HB LYS 91 1HB LYS 91 10.201 17.938 0.495 742 2HB LYS 91 2HB LYS 91 8.768 17.657 1.463 743 1HG LYS 91 1HG LYS 91 10.031 17.253 3.448 744 2HG LYS 91 2HG LYS 91 11.508 16.940 2.558 745 1HD LYS 91 1HD LYS 91 11.827 19.259 2.035 746 2HD LYS 91 2HD LYS 91 10.169 19.667 2.432 747 1HE LYS 91 1HE LYS 91 10.700 18.946 4.853 748 2HE LYS 91 2HE LYS 91 12.384 18.874 4.374 749 1HZ LYS 91 1HZ LYS 91 12.421 21.131 3.974 750 2HZ LYS 91 2HZ LYS 91 10.798 21.276 3.868 751 3HZ LYS 91 3HZ LYS 91 11.503 21.029 5.321 752 H GLU 92 H GLU 92 8.114 14.971 2.647 753 HA GLU 92 HA GLU 92 10.175 13.812 4.294 754 1HB GLU 92 1HB GLU 92 7.201 14.310 4.679 755 2HB GLU 92 2HB GLU 92 8.124 13.348 5.817 756 1HG GLU 92 1HG GLU 92 9.561 15.816 5.211 757 2HG GLU 92 2HG GLU 92 7.925 16.189 5.717 758 H SER 93 H SER 93 9.839 12.570 1.736 759 HA SER 93 HA SER 93 8.521 10.091 2.526 760 1HB SER 93 1HB SER 93 8.551 11.637 0.007 761 2HB SER 93 2HB SER 93 8.909 9.939 -0.234 762 HG SER 93 HG SER 93 6.597 11.015 1.145 763 H SER 94 H SER 94 11.192 11.369 0.399 764 HA SER 94 HA SER 94 12.607 8.892 0.880 765 1HB SER 94 1HB SER 94 12.477 9.568 -1.447 766 2HB SER 94 2HB SER 94 13.038 11.185 -1.076 767 HG SER 94 HG SER 94 14.652 8.855 -0.525 768 H GLY 95 H GLY 95 13.358 9.188 3.045 769 1HA GLY 95 1HA GLY 95 15.790 10.192 3.542 770 2HA GLY 95 2HA GLY 95 14.788 11.617 3.733 771 HA PRO 96 HA PRO 96 13.966 8.416 7.168 772 1HB PRO 96 1HB PRO 96 16.225 7.173 8.074 773 2HB PRO 96 2HB PRO 96 15.097 6.421 6.964 774 1HG PRO 96 1HG PRO 96 17.768 7.557 6.406 775 2HG PRO 96 2HG PRO 96 16.824 6.445 5.435 776 1HD PRO 96 1HD PRO 96 17.174 9.254 4.974 777 2HD PRO 96 2HD PRO 96 16.138 8.165 4.073 778 H SER 97 H SER 97 14.905 8.229 9.608 779 HA SER 97 HA SER 97 15.415 9.374 11.378 780 1HB SER 97 1HB SER 97 17.680 9.537 10.474 781 2HB SER 97 2HB SER 97 17.237 10.908 9.477 782 HG SER 97 HG SER 97 16.726 12.053 11.544 783 H SER 98 H SER 98 13.785 10.581 12.274 784 HA SER 98 HA SER 98 12.510 12.288 12.723 785 1HB SER 98 1HB SER 98 14.623 13.652 12.034 786 2HB SER 98 2HB SER 98 13.783 13.957 10.527 787 HG SER 98 HG SER 98 11.965 14.506 12.367 788 H GLY 99 H GLY 99 10.380 12.804 12.088 789 1HA GLY 99 1HA GLY 99 9.736 12.423 9.231 790 2HA GLY 99 2HA GLY 99 8.835 11.598 10.487 Start of MODEL 13 1 1H GLY 1 H GLY 1 3.120 -20.105 13.992 2 1HA GLY 1 1HA GLY 1 2.361 -18.917 15.971 3 2HA GLY 1 2HA GLY 1 3.869 -18.244 15.385 4 H SER 2 H SER 2 3.886 -16.205 14.238 5 HA SER 2 HA SER 2 1.442 -14.706 14.740 6 1HB SER 2 1HB SER 2 2.870 -12.698 14.772 7 2HB SER 2 2HB SER 2 3.454 -13.884 15.922 8 HG SER 2 HG SER 2 4.527 -13.328 13.291 9 H SER 3 H SER 3 0.210 -14.293 12.946 10 HA SER 3 HA SER 3 1.621 -13.642 10.509 11 1HB SER 3 1HB SER 3 0.421 -16.171 10.903 12 2HB SER 3 2HB SER 3 -0.737 -15.284 9.930 13 HG SER 3 HG SER 3 0.682 -15.138 8.260 14 H GLY 4 H GLY 4 0.436 -12.182 9.145 15 1HA GLY 4 1HA GLY 4 -2.262 -11.435 10.021 16 2HA GLY 4 2HA GLY 4 -1.008 -10.212 10.057 17 H SER 5 H SER 5 -2.127 -12.837 7.790 18 HA SER 5 HA SER 5 -2.143 -12.883 5.594 19 1HB SER 5 1HB SER 5 -4.303 -11.760 6.237 20 2HB SER 5 2HB SER 5 -3.550 -10.201 5.966 21 HG SER 5 HG SER 5 -4.478 -10.575 4.016 22 H SER 6 H SER 6 0.209 -12.644 5.295 23 HA SER 6 HA SER 6 1.261 -10.042 4.922 24 1HB SER 6 1HB SER 6 3.319 -11.304 4.183 25 2HB SER 6 2HB SER 6 2.728 -11.767 5.767 26 HG SER 6 HG SER 6 1.891 -13.687 4.942 27 H GLY 7 H GLY 7 2.814 -10.012 2.686 28 1HA GLY 7 1HA GLY 7 2.839 -9.797 0.446 29 2HA GLY 7 2HA GLY 7 1.623 -11.054 0.342 30 H LEU 8 H LEU 8 -0.702 -10.423 0.794 31 HA LEU 8 HA LEU 8 -1.599 -8.489 -0.831 32 1HB LEU 8 1HB LEU 8 -2.750 -9.587 1.724 33 2HB LEU 8 2HB LEU 8 -3.628 -8.436 0.735 34 HG LEU 8 HG LEU 8 -2.626 -11.128 -0.234 35 1HD1 LEU 8 1HD1 LEU 8 -5.386 -10.277 0.680 36 2HD1 LEU 8 2HD1 LEU 8 -5.015 -11.798 -0.167 37 3HD1 LEU 8 3HD1 LEU 8 -4.320 -11.483 1.441 38 1HD2 LEU 8 1HD2 LEU 8 -4.434 -9.078 -1.543 39 2HD2 LEU 8 2HD2 LEU 8 -2.790 -9.534 -2.048 40 3HD2 LEU 8 3HD2 LEU 8 -4.116 -10.716 -2.162 41 H LYS 9 H LYS 9 -1.357 -8.009 2.768 42 HA LYS 9 HA LYS 9 -1.898 -5.389 2.901 43 1HB LYS 9 1HB LYS 9 -1.072 -7.212 4.669 44 2HB LYS 9 2HB LYS 9 0.444 -6.352 4.489 45 1HG LYS 9 1HG LYS 9 -1.434 -4.279 4.690 46 2HG LYS 9 2HG LYS 9 -2.060 -5.484 5.797 47 1HD LYS 9 1HD LYS 9 -0.590 -4.470 7.256 48 2HD LYS 9 2HD LYS 9 0.542 -5.599 6.538 49 1HE LYS 9 1HE LYS 9 0.115 -2.876 5.267 50 2HE LYS 9 2HE LYS 9 1.167 -3.034 6.660 51 1HZ LYS 9 1HZ LYS 9 1.684 -3.734 4.007 52 2HZ LYS 9 2HZ LYS 9 2.710 -3.728 5.277 53 3HZ LYS 9 3HZ LYS 9 1.837 -5.066 4.939 54 H GLN 10 H GLN 10 1.478 -6.675 2.458 55 HA GLN 10 HA GLN 10 2.644 -4.257 2.027 56 1HB GLN 10 1HB GLN 10 3.482 -6.874 2.068 57 2HB GLN 10 2HB GLN 10 3.689 -6.502 0.368 58 1HG GLN 10 1HG GLN 10 4.658 -4.315 2.088 59 2HG GLN 10 2HG GLN 10 5.460 -5.830 2.451 60 1HE2 GLN 10 1HE2 GLN 10 6.855 -3.742 1.423 61 2HE2 GLN 10 2HE2 GLN 10 7.367 -4.063 -0.201 62 H LYS 11 H LYS 11 1.344 -6.571 -0.458 63 HA LYS 11 HA LYS 11 1.930 -5.177 -2.711 64 1HB LYS 11 1HB LYS 11 -0.454 -6.894 -2.000 65 2HB LYS 11 2HB LYS 11 -0.219 -6.245 -3.610 66 1HG LYS 11 1HG LYS 11 1.562 -7.638 -4.069 67 2HG LYS 11 2HG LYS 11 2.193 -7.549 -2.436 68 1HD LYS 11 1HD LYS 11 1.196 -9.508 -1.877 69 2HD LYS 11 2HD LYS 11 -0.374 -8.906 -2.373 70 1HE LYS 11 1HE LYS 11 -0.226 -9.841 -4.501 71 2HE LYS 11 2HE LYS 11 1.516 -9.667 -4.580 72 1HZ LYS 11 1HZ LYS 11 0.579 -11.968 -4.265 73 2HZ LYS 11 2HZ LYS 11 1.810 -11.541 -3.281 74 3HZ LYS 11 3HZ LYS 11 0.278 -11.549 -2.716 75 H VAL 12 H VAL 12 -1.137 -4.857 -0.782 76 HA VAL 12 HA VAL 12 -2.143 -2.729 -2.243 77 HB VAL 12 HB VAL 12 -2.524 -3.356 0.691 78 1HG1 VAL 12 1HG1 VAL 12 -4.589 -2.150 -1.144 79 2HG1 VAL 12 2HG1 VAL 12 -4.497 -2.113 0.633 80 3HG1 VAL 12 3HG1 VAL 12 -3.378 -1.125 -0.337 81 1HG2 VAL 12 1HG2 VAL 12 -3.096 -5.376 -0.247 82 2HG2 VAL 12 2HG2 VAL 12 -4.647 -4.515 -0.395 83 3HG2 VAL 12 3HG2 VAL 12 -3.566 -4.650 -1.803 84 H GLU 13 H GLU 13 -0.105 -2.766 0.754 85 HA GLU 13 HA GLU 13 -0.032 -0.166 1.325 86 1HB GLU 13 1HB GLU 13 1.913 -2.411 1.552 87 2HB GLU 13 2HB GLU 13 2.616 -0.813 1.702 88 1HG GLU 13 1HG GLU 13 0.212 -1.804 3.308 89 2HG GLU 13 2HG GLU 13 1.859 -1.775 3.904 90 H ASN 14 H ASN 14 2.022 -1.823 -1.165 91 HA ASN 14 HA ASN 14 3.383 0.468 -1.914 92 1HB ASN 14 1HB ASN 14 3.167 -2.296 -2.768 93 2HB ASN 14 2HB ASN 14 3.060 -1.284 -4.195 94 1HD2 ASN 14 1HD2 ASN 14 5.065 -2.660 -1.852 95 2HD2 ASN 14 2HD2 ASN 14 6.564 -1.889 -2.251 96 H LEU 15 H LEU 15 0.461 -1.230 -3.260 97 HA LEU 15 HA LEU 15 -0.061 0.192 -5.473 98 1HB LEU 15 1HB LEU 15 -1.564 -1.457 -5.150 99 2HB LEU 15 2HB LEU 15 -1.697 -1.172 -3.427 100 HG LEU 15 HG LEU 15 -3.108 0.828 -3.893 101 1HD1 LEU 15 1HD1 LEU 15 -2.142 1.126 -6.242 102 2HD1 LEU 15 2HD1 LEU 15 -3.297 -0.130 -6.748 103 3HD1 LEU 15 3HD1 LEU 15 -3.890 1.388 -6.033 104 1HD2 LEU 15 1HD2 LEU 15 -5.093 -0.374 -4.182 105 2HD2 LEU 15 2HD2 LEU 15 -4.320 -1.587 -5.230 106 3HD2 LEU 15 3HD2 LEU 15 -3.960 -1.558 -3.487 107 H PHE 16 H PHE 16 -1.570 1.112 -2.295 108 HA PHE 16 HA PHE 16 -2.528 3.521 -2.983 109 1HB PHE 16 1HB PHE 16 -1.002 2.642 -0.460 110 2HB PHE 16 2HB PHE 16 -2.006 4.077 -0.511 111 HD1 PHE 16 1HD PHE 16 -4.244 2.895 -2.222 112 HD2 PHE 16 2HD PHE 16 -2.188 1.428 1.187 113 HE1 PHE 16 1HE PHE 16 -6.249 1.515 -1.606 114 HE2 PHE 16 2HE PHE 16 -4.192 0.049 1.804 115 HZ PHE 16 HZ PHE 16 -6.199 0.109 0.399 116 H ASN 17 H ASN 17 0.802 2.974 -1.615 117 HA ASN 17 HA ASN 17 1.651 5.531 -1.707 118 1HB ASN 17 1HB ASN 17 2.896 2.849 -1.723 119 2HB ASN 17 2HB ASN 17 3.903 4.033 -2.532 120 1HD2 ASN 17 1HD2 ASN 17 1.913 3.601 0.383 121 2HD2 ASN 17 2HD2 ASN 17 2.938 4.462 1.483 122 H GLU 18 H GLU 18 1.895 2.970 -4.286 123 HA GLU 18 HA GLU 18 3.237 4.385 -6.161 124 1HB GLU 18 1HB GLU 18 1.003 2.341 -6.512 125 2HB GLU 18 2HB GLU 18 2.008 2.902 -7.833 126 1HG GLU 18 1HG GLU 18 3.987 1.941 -6.906 127 2HG GLU 18 2HG GLU 18 3.287 1.811 -5.305 128 H LYS 19 H LYS 19 -0.363 4.221 -5.695 129 HA LYS 19 HA LYS 19 -1.044 5.904 -7.776 130 1HB LYS 19 1HB LYS 19 -2.432 5.464 -5.115 131 2HB LYS 19 2HB LYS 19 -3.157 6.231 -6.513 132 1HG LYS 19 1HG LYS 19 -2.073 3.376 -6.413 133 2HG LYS 19 2HG LYS 19 -3.767 3.826 -6.394 134 1HD LYS 19 1HD LYS 19 -2.710 5.166 -8.652 135 2HD LYS 19 2HD LYS 19 -1.935 3.594 -8.676 136 1HE LYS 19 1HE LYS 19 -4.244 2.538 -8.383 137 2HE LYS 19 2HE LYS 19 -4.940 4.135 -8.572 138 1HZ LYS 19 1HZ LYS 19 -3.165 2.898 -10.558 139 2HZ LYS 19 2HZ LYS 19 -4.796 2.848 -10.637 140 3HZ LYS 19 3HZ LYS 19 -4.017 4.280 -10.734 141 H CYS 20 H CYS 20 -0.129 6.646 -4.364 142 HA CYS 20 HA CYS 20 -0.704 9.243 -4.181 143 1HB CYS 20 1HB CYS 20 0.506 7.778 -2.496 144 2HB CYS 20 2HB CYS 20 1.994 8.144 -3.345 145 HG CYS 20 HG CYS 20 0.495 10.839 -3.170 146 H GLY 21 H GLY 21 2.571 8.110 -5.314 147 1HA GLY 21 1HA GLY 21 3.408 10.521 -6.385 148 2HA GLY 21 2HA GLY 21 3.984 8.933 -6.855 149 H GLU 22 H GLU 22 1.893 7.685 -8.096 150 HA GLU 22 HA GLU 22 1.928 8.620 -10.596 151 1HB GLU 22 1HB GLU 22 0.493 6.623 -9.140 152 2HB GLU 22 2HB GLU 22 -0.690 7.466 -10.119 153 1HG GLU 22 1HG GLU 22 1.950 6.455 -11.263 154 2HG GLU 22 2HG GLU 22 0.503 5.467 -11.229 155 H ALA 23 H ALA 23 -0.344 9.562 -7.973 156 HA ALA 23 HA ALA 23 -2.181 10.974 -9.456 157 1HB ALA 23 1HB ALA 23 -2.834 11.907 -7.393 158 2HB ALA 23 2HB ALA 23 -2.073 10.366 -6.931 159 3HB ALA 23 3HB ALA 23 -1.173 11.892 -6.753 160 H LEU 24 H LEU 24 0.818 12.243 -7.829 161 HA LEU 24 HA LEU 24 0.553 14.769 -9.097 162 1HB LEU 24 1HB LEU 24 2.877 13.498 -7.642 163 2HB LEU 24 2HB LEU 24 2.785 15.179 -8.130 164 HG LEU 24 HG LEU 24 0.437 14.700 -6.641 165 1HD1 LEU 24 1HD1 LEU 24 1.798 14.056 -4.439 166 2HD1 LEU 24 2HD1 LEU 24 1.013 12.838 -5.474 167 3HD1 LEU 24 3HD1 LEU 24 2.761 13.141 -5.624 168 1HD2 LEU 24 1HD2 LEU 24 1.715 16.798 -6.784 169 2HD2 LEU 24 2HD2 LEU 24 1.383 16.322 -5.101 170 3HD2 LEU 24 3HD2 LEU 24 3.003 16.071 -5.794 171 H GLY 25 H GLY 25 1.587 11.665 -10.150 172 1HA GLY 25 1HA GLY 25 2.205 11.101 -12.278 173 2HA GLY 25 2HA GLY 25 2.477 12.788 -12.667 174 H LEU 26 H LEU 26 3.823 10.117 -10.607 175 HA LEU 26 HA LEU 26 6.486 11.130 -11.309 176 1HB LEU 26 1HB LEU 26 5.600 10.053 -8.628 177 2HB LEU 26 2HB LEU 26 7.247 10.459 -9.070 178 HG LEU 26 HG LEU 26 4.927 12.401 -8.891 179 1HD1 LEU 26 1HD1 LEU 26 7.045 13.055 -7.116 180 2HD1 LEU 26 2HD1 LEU 26 5.381 12.557 -6.728 181 3HD1 LEU 26 3HD1 LEU 26 6.662 11.332 -6.888 182 1HD2 LEU 26 1HD2 LEU 26 7.850 12.969 -9.453 183 2HD2 LEU 26 2HD2 LEU 26 6.535 13.022 -10.651 184 3HD2 LEU 26 3HD2 LEU 26 6.544 14.166 -9.288 185 H LYS 27 H LYS 27 8.199 9.336 -10.989 186 HA LYS 27 HA LYS 27 7.053 6.910 -12.145 187 1HB LYS 27 1HB LYS 27 9.535 8.438 -12.514 188 2HB LYS 27 2HB LYS 27 9.801 6.714 -12.358 189 1HG LYS 27 1HG LYS 27 7.801 6.489 -14.066 190 2HG LYS 27 2HG LYS 27 8.111 8.180 -14.410 191 1HD LYS 27 1HD LYS 27 10.523 6.407 -14.367 192 2HD LYS 27 2HD LYS 27 9.392 6.112 -15.672 193 1HE LYS 27 1HE LYS 27 9.474 8.792 -15.894 194 2HE LYS 27 2HE LYS 27 11.021 8.587 -15.096 195 1HZ LYS 27 1HZ LYS 27 10.466 8.176 -17.742 196 2HZ LYS 27 2HZ LYS 27 11.868 7.847 -16.972 197 3HZ LYS 27 3HZ LYS 27 10.733 6.685 -17.133 198 H GLN 28 H GLN 28 7.308 7.945 -9.157 199 HA GLN 28 HA GLN 28 8.201 5.348 -8.227 200 1HB GLN 28 1HB GLN 28 9.424 6.400 -6.332 201 2HB GLN 28 2HB GLN 28 10.128 6.819 -7.881 202 1HG GLN 28 1HG GLN 28 9.649 9.039 -7.631 203 2HG GLN 28 2HG GLN 28 8.019 8.718 -7.073 204 1HE2 GLN 28 1HE2 GLN 28 8.479 10.497 -5.623 205 2HE2 GLN 28 2HE2 GLN 28 9.272 10.206 -4.111 206 H ALA 29 H ALA 29 7.673 5.350 -5.617 207 HA ALA 29 HA ALA 29 4.843 6.027 -5.534 208 1HB ALA 29 1HB ALA 29 6.489 3.873 -4.617 209 2HB ALA 29 2HB ALA 29 5.776 4.659 -3.188 210 3HB ALA 29 3HB ALA 29 4.723 4.046 -4.485 211 H VAL 30 H VAL 30 4.015 6.823 -3.310 212 HA VAL 30 HA VAL 30 5.936 8.455 -1.891 213 HB VAL 30 HB VAL 30 3.536 9.675 -3.269 214 1HG1 VAL 30 1HG1 VAL 30 5.659 10.785 -1.423 215 2HG1 VAL 30 2HG1 VAL 30 4.721 11.825 -2.522 216 3HG1 VAL 30 3HG1 VAL 30 3.888 10.874 -1.269 217 1HG2 VAL 30 1HG2 VAL 30 5.195 10.900 -4.642 218 2HG2 VAL 30 2HG2 VAL 30 6.494 9.927 -3.912 219 3HG2 VAL 30 3HG2 VAL 30 5.250 9.142 -4.914 220 H LYS 31 H LYS 31 5.509 8.249 0.245 221 HA LYS 31 HA LYS 31 3.598 6.667 1.286 222 1HB LYS 31 1HB LYS 31 5.620 8.223 2.277 223 2HB LYS 31 2HB LYS 31 4.218 9.034 2.944 224 1HG LYS 31 1HG LYS 31 3.488 6.463 3.451 225 2HG LYS 31 2HG LYS 31 5.227 6.251 3.453 226 1HD LYS 31 1HD LYS 31 5.266 8.345 5.041 227 2HD LYS 31 2HD LYS 31 3.553 8.040 5.250 228 1HE LYS 31 1HE LYS 31 4.558 5.501 5.623 229 2HE LYS 31 2HE LYS 31 5.893 6.462 6.227 230 1HZ LYS 31 1HZ LYS 31 3.789 5.844 7.672 231 2HZ LYS 31 2HZ LYS 31 4.674 7.191 7.936 232 3HZ LYS 31 3HZ LYS 31 3.277 7.283 7.095 233 H VAL 32 H VAL 32 1.420 6.670 1.469 234 HA VAL 32 HA VAL 32 -0.064 8.799 0.368 235 HB VAL 32 HB VAL 32 -0.814 6.359 1.983 236 1HG1 VAL 32 1HG1 VAL 32 -2.961 6.984 2.048 237 2HG1 VAL 32 2HG1 VAL 32 -2.410 8.617 1.603 238 3HG1 VAL 32 3HG1 VAL 32 -2.943 7.483 0.339 239 1HG2 VAL 32 1HG2 VAL 32 -0.288 5.349 0.047 240 2HG2 VAL 32 2HG2 VAL 32 -1.795 6.061 -0.579 241 3HG2 VAL 32 3HG2 VAL 32 -0.241 6.886 -0.849 242 HA PRO 33 HA PRO 33 -0.031 11.185 4.048 243 1HB PRO 33 1HB PRO 33 -1.030 13.481 2.951 244 2HB PRO 33 2HB PRO 33 0.676 13.082 2.951 245 1HG PRO 33 1HG PRO 33 -1.255 12.967 0.715 246 2HG PRO 33 2HG PRO 33 0.497 12.990 0.653 247 1HD PRO 33 1HD PRO 33 -1.205 10.711 0.278 248 2HD PRO 33 2HD PRO 33 0.547 10.714 0.331 249 H PHE 34 H PHE 34 -1.826 9.274 4.178 250 HA PHE 34 HA PHE 34 -4.407 9.641 3.866 251 1HB PHE 34 1HB PHE 34 -2.782 8.790 6.321 252 2HB PHE 34 2HB PHE 34 -4.529 8.651 6.334 253 HD1 PHE 34 1HD PHE 34 -5.658 7.080 4.794 254 HD2 PHE 34 2HD PHE 34 -1.427 7.265 5.061 255 HE1 PHE 34 1HE PHE 34 -5.489 4.849 3.656 256 HE2 PHE 34 2HE PHE 34 -1.258 5.034 3.923 257 HZ PHE 34 HZ PHE 34 -3.291 3.853 3.234 258 H ALA 35 H ALA 35 -2.387 11.469 6.193 259 HA ALA 35 HA ALA 35 -4.412 12.600 7.705 260 1HB ALA 35 1HB ALA 35 -1.563 12.986 7.187 261 2HB ALA 35 2HB ALA 35 -2.396 14.535 7.459 262 3HB ALA 35 3HB ALA 35 -2.490 13.248 8.684 263 H LEU 36 H LEU 36 -2.726 13.956 4.778 264 HA LEU 36 HA LEU 36 -4.184 16.239 4.519 265 1HB LEU 36 1HB LEU 36 -2.866 14.411 2.539 266 2HB LEU 36 2HB LEU 36 -3.745 15.824 1.990 267 HG LEU 36 HG LEU 36 -1.288 15.738 3.749 268 1HD1 LEU 36 1HD1 LEU 36 -1.206 15.582 1.171 269 2HD1 LEU 36 2HD1 LEU 36 -1.643 17.307 1.206 270 3HD1 LEU 36 3HD1 LEU 36 -0.147 16.751 1.996 271 1HD2 LEU 36 1HD2 LEU 36 -1.634 18.372 3.428 272 2HD2 LEU 36 2HD2 LEU 36 -3.341 17.870 3.468 273 3HD2 LEU 36 3HD2 LEU 36 -2.265 17.475 4.830 274 H PHE 37 H PHE 37 -5.101 12.884 3.686 275 HA PHE 37 HA PHE 37 -7.505 13.737 2.378 276 1HB PHE 37 1HB PHE 37 -6.372 11.071 3.411 277 2HB PHE 37 2HB PHE 37 -7.871 11.168 2.509 278 HD1 PHE 37 1HD PHE 37 -7.863 11.260 0.154 279 HD2 PHE 37 2HD PHE 37 -4.231 11.808 2.279 280 HE1 PHE 37 1HE PHE 37 -6.580 11.102 -1.998 281 HE2 PHE 37 2HE PHE 37 -2.948 11.649 0.127 282 HZ PHE 37 HZ PHE 37 -4.138 11.298 -1.986 283 H GLU 38 H GLU 38 -6.461 12.912 5.647 284 HA GLU 38 HA GLU 38 -9.040 12.231 6.566 285 1HB GLU 38 1HB GLU 38 -7.952 11.687 8.494 286 2HB GLU 38 2HB GLU 38 -6.500 11.901 7.537 287 1HG GLU 38 1HG GLU 38 -6.354 14.282 8.265 288 2HG GLU 38 2HG GLU 38 -7.827 14.098 9.195 289 H SER 39 H SER 39 -6.965 15.195 6.701 290 HA SER 39 HA SER 39 -9.043 16.627 8.034 291 1HB SER 39 1HB SER 39 -6.276 17.317 7.006 292 2HB SER 39 2HB SER 39 -7.366 18.592 7.516 293 HG SER 39 HG SER 39 -6.859 16.327 9.221 294 H PHE 40 H PHE 40 -7.561 16.420 4.754 295 HA PHE 40 HA PHE 40 -9.808 18.040 3.778 296 1HB PHE 40 1HB PHE 40 -6.966 17.734 2.643 297 2HB PHE 40 2HB PHE 40 -8.184 18.847 2.053 298 HD1 PHE 40 1HD PHE 40 -9.099 20.527 3.911 299 HD2 PHE 40 2HD PHE 40 -5.340 18.564 4.051 300 HE1 PHE 40 1HE PHE 40 -8.231 22.300 5.461 301 HE2 PHE 40 2HE PHE 40 -4.472 20.337 5.601 302 HZ PHE 40 HZ PHE 40 -5.928 22.184 6.287 303 HA PRO 41 HA PRO 41 -9.957 13.961 1.812 304 1HB PRO 41 1HB PRO 41 -12.585 13.409 2.318 305 2HB PRO 41 2HB PRO 41 -11.277 12.863 3.347 306 1HG PRO 41 1HG PRO 41 -13.212 15.049 3.812 307 2HG PRO 41 2HG PRO 41 -12.194 14.218 4.972 308 1HD PRO 41 1HD PRO 41 -11.767 16.836 3.879 309 2HD PRO 41 2HD PRO 41 -10.692 15.958 4.949 310 H GLU 42 H GLU 42 -12.649 16.252 1.739 311 HA GLU 42 HA GLU 42 -13.607 15.654 -0.690 312 1HB GLU 42 1HB GLU 42 -14.356 18.034 -0.818 313 2HB GLU 42 2HB GLU 42 -14.636 17.326 0.760 314 1HG GLU 42 1HG GLU 42 -12.271 18.323 1.369 315 2HG GLU 42 2HG GLU 42 -12.495 19.319 -0.055 316 H ASP 43 H ASP 43 -10.660 17.552 0.087 317 HA ASP 43 HA ASP 43 -10.263 18.326 -2.602 318 1HB ASP 43 1HB ASP 43 -8.251 18.213 -0.307 319 2HB ASP 43 2HB ASP 43 -8.071 19.137 -1.786 320 H PHE 44 H PHE 44 -8.844 15.905 -0.294 321 HA PHE 44 HA PHE 44 -7.635 14.564 -2.610 322 1HB PHE 44 1HB PHE 44 -6.898 14.443 0.374 323 2HB PHE 44 2HB PHE 44 -5.952 13.776 -0.943 324 HD1 PHE 44 1HD PHE 44 -5.211 15.553 -2.768 325 HD2 PHE 44 2HD PHE 44 -6.292 16.502 1.225 326 HE1 PHE 44 1HE PHE 44 -3.922 17.701 -2.929 327 HE2 PHE 44 2HE PHE 44 -5.003 18.649 1.063 328 HZ PHE 44 HZ PHE 44 -3.834 19.223 -1.012 329 H TYR 45 H TYR 45 -8.591 12.666 -3.152 330 HA TYR 45 HA TYR 45 -9.391 10.847 -1.069 331 1HB TYR 45 1HB TYR 45 -11.751 10.782 -1.964 332 2HB TYR 45 2HB TYR 45 -11.369 12.384 -1.364 333 HD1 TYR 45 1HD TYR 45 -12.176 10.386 -4.309 334 HD2 TYR 45 2HD TYR 45 -10.937 14.250 -2.953 335 HE1 TYR 45 1HE TYR 45 -12.812 11.387 -6.558 336 HE2 TYR 45 2HE TYR 45 -11.578 15.238 -5.206 337 HH TYR 45 HH TYR 45 -13.115 14.701 -7.033 338 H VAL 46 H VAL 46 -9.761 8.685 -1.875 339 HA VAL 46 HA VAL 46 -8.625 8.343 -4.552 340 HB VAL 46 HB VAL 46 -8.826 6.514 -2.154 341 1HG1 VAL 46 1HG1 VAL 46 -8.903 5.656 -4.755 342 2HG1 VAL 46 2HG1 VAL 46 -7.153 5.660 -4.429 343 3HG1 VAL 46 3HG1 VAL 46 -8.250 4.719 -3.389 344 1HG2 VAL 46 1HG2 VAL 46 -6.605 8.101 -3.426 345 2HG2 VAL 46 2HG2 VAL 46 -7.066 7.970 -1.712 346 3HG2 VAL 46 3HG2 VAL 46 -6.245 6.613 -2.519 347 H GLU 47 H GLU 47 -9.731 7.228 -6.163 348 HA GLU 47 HA GLU 47 -12.440 6.443 -5.412 349 1HB GLU 47 1HB GLU 47 -11.494 7.674 -8.038 350 2HB GLU 47 2HB GLU 47 -13.123 7.105 -7.732 351 1HG GLU 47 1HG GLU 47 -12.521 8.803 -5.538 352 2HG GLU 47 2HG GLU 47 -11.869 9.630 -6.938 353 H GLY 48 H GLY 48 -13.365 4.960 -7.392 354 1HA GLY 48 1HA GLY 48 -13.016 3.184 -8.819 355 2HA GLY 48 2HA GLY 48 -11.305 3.187 -8.441 356 H LEU 49 H LEU 49 -11.835 3.340 -5.455 357 HA LEU 49 HA LEU 49 -11.524 0.780 -4.743 358 1HB LEU 49 1HB LEU 49 -12.840 3.086 -3.342 359 2HB LEU 49 2HB LEU 49 -12.728 1.519 -2.565 360 HG LEU 49 HG LEU 49 -10.323 3.014 -3.636 361 1HD1 LEU 49 1HD1 LEU 49 -9.999 4.097 -1.650 362 2HD1 LEU 49 2HD1 LEU 49 -11.778 4.091 -1.708 363 3HD1 LEU 49 3HD1 LEU 49 -10.916 2.896 -0.710 364 1HD2 LEU 49 1HD2 LEU 49 -10.594 0.648 -1.763 365 2HD2 LEU 49 2HD2 LEU 49 -9.934 0.643 -3.417 366 3HD2 LEU 49 3HD2 LEU 49 -9.074 1.504 -2.118 367 HA PRO 50 HA PRO 50 -15.235 -1.311 -5.438 368 1HB PRO 50 1HB PRO 50 -15.012 -3.404 -3.694 369 2HB PRO 50 2HB PRO 50 -14.201 -3.360 -5.247 370 1HG PRO 50 1HG PRO 50 -13.061 -2.957 -2.550 371 2HG PRO 50 2HG PRO 50 -12.232 -3.337 -4.046 372 1HD PRO 50 1HD PRO 50 -12.352 -0.780 -2.751 373 2HD PRO 50 2HD PRO 50 -11.622 -1.135 -4.304 374 H GLU 51 H GLU 51 -17.334 -0.983 -5.025 375 HA GLU 51 HA GLU 51 -18.118 0.601 -3.036 376 1HB GLU 51 1HB GLU 51 -20.338 -0.022 -3.551 377 2HB GLU 51 2HB GLU 51 -19.456 -0.402 -5.017 378 1HG GLU 51 1HG GLU 51 -19.160 -2.787 -3.797 379 2HG GLU 51 2HG GLU 51 -20.606 -2.273 -2.950 380 H GLY 52 H GLY 52 -18.474 0.503 -0.834 381 1HA GLY 52 1HA GLY 52 -19.041 -0.541 1.156 382 2HA GLY 52 2HA GLY 52 -18.739 -2.113 0.443 383 H VAL 53 H VAL 53 -16.114 -0.849 -0.760 384 HA VAL 53 HA VAL 53 -14.550 -1.328 1.669 385 HB VAL 53 HB VAL 53 -13.842 -1.498 -1.267 386 1HG1 VAL 53 1HG1 VAL 53 -12.180 -1.469 1.180 387 2HG1 VAL 53 2HG1 VAL 53 -11.835 -2.796 0.046 388 3HG1 VAL 53 3HG1 VAL 53 -11.749 -1.107 -0.508 389 1HG2 VAL 53 1HG2 VAL 53 -15.250 -3.304 0.302 390 2HG2 VAL 53 2HG2 VAL 53 -14.388 -3.670 -1.211 391 3HG2 VAL 53 3HG2 VAL 53 -13.580 -3.918 0.356 392 HA PRO 54 HA PRO 54 -13.837 3.002 1.433 393 1HB PRO 54 1HB PRO 54 -12.825 3.292 3.955 394 2HB PRO 54 2HB PRO 54 -14.539 3.367 3.595 395 1HG PRO 54 1HG PRO 54 -13.006 1.181 4.863 396 2HG PRO 54 2HG PRO 54 -14.735 1.461 4.879 397 1HD PRO 54 1HD PRO 54 -13.324 -0.472 3.298 398 2HD PRO 54 2HD PRO 54 -15.037 -0.112 3.229 399 H PHE 55 H PHE 55 -11.862 4.498 2.146 400 HA PHE 55 HA PHE 55 -9.616 3.129 0.887 401 1HB PHE 55 1HB PHE 55 -10.444 5.304 -0.039 402 2HB PHE 55 2HB PHE 55 -10.330 6.049 1.543 403 HD1 PHE 55 1HD PHE 55 -8.010 4.050 -0.610 404 HD2 PHE 55 2HD PHE 55 -8.614 7.564 1.691 405 HE1 PHE 55 1HE PHE 55 -5.669 4.792 -1.128 406 HE2 PHE 55 2HE PHE 55 -6.272 8.306 1.173 407 HZ PHE 55 HZ PHE 55 -4.828 6.911 -0.230 408 H ARG 56 H ARG 56 -10.245 2.425 3.625 409 HA ARG 56 HA ARG 56 -8.680 3.972 5.357 410 1HB ARG 56 1HB ARG 56 -10.014 1.256 5.482 411 2HB ARG 56 2HB ARG 56 -8.870 1.681 6.740 412 1HG ARG 56 1HG ARG 56 -10.802 3.849 6.139 413 2HG ARG 56 2HG ARG 56 -11.570 2.379 6.704 414 1HD ARG 56 1HD ARG 56 -9.841 2.372 8.630 415 2HD ARG 56 2HD ARG 56 -9.405 3.992 8.124 416 HE ARG 56 HE ARG 56 -11.841 3.207 9.524 417 1HH1 ARG 56 2HH2 ARG 56 -10.456 5.598 7.345 418 2HH1 ARG 56 1HH2 ARG 56 -11.589 6.835 7.776 419 1HH2 ARG 56 2HH1 ARG 56 -13.336 4.838 10.093 420 2HH2 ARG 56 1HH1 ARG 56 -13.239 6.400 9.349 421 H ARG 57 H ARG 57 -6.977 2.412 6.792 422 HA ARG 57 HA ARG 57 -4.834 2.106 5.013 423 1HB ARG 57 1HB ARG 57 -5.209 1.437 7.968 424 2HB ARG 57 2HB ARG 57 -3.685 1.167 7.145 425 1HG ARG 57 1HG ARG 57 -3.234 3.440 6.916 426 2HG ARG 57 2HG ARG 57 -4.927 3.880 6.799 427 1HD ARG 57 1HD ARG 57 -5.013 3.066 9.340 428 2HD ARG 57 2HD ARG 57 -3.282 3.331 9.282 429 HE ARG 57 HE ARG 57 -3.656 5.642 9.214 430 1HH1 ARG 57 2HH2 ARG 57 -6.639 3.963 8.398 431 2HH1 ARG 57 1HH2 ARG 57 -7.602 5.403 8.408 432 1HH2 ARG 57 2HH1 ARG 57 -4.926 7.542 9.227 433 2HH2 ARG 57 1HH1 ARG 57 -6.621 7.452 8.882 434 HA PRO 58 HA PRO 58 -5.192 -2.157 4.165 435 1HB PRO 58 1HB PRO 58 -2.609 -2.838 3.590 436 2HB PRO 58 2HB PRO 58 -3.665 -2.032 2.447 437 1HG PRO 58 1HG PRO 58 -1.426 -0.906 4.014 438 2HG PRO 58 2HG PRO 58 -2.202 -0.254 2.585 439 1HD PRO 58 1HD PRO 58 -2.577 0.619 5.292 440 2HD PRO 58 2HD PRO 58 -3.439 1.191 3.877 441 H SER 59 H SER 59 -2.820 -1.240 6.542 442 HA SER 59 HA SER 59 -2.596 -3.870 7.537 443 1HB SER 59 1HB SER 59 -0.874 -2.007 7.765 444 2HB SER 59 2HB SER 59 -1.921 -1.255 8.952 445 HG SER 59 HG SER 59 -0.763 -2.483 10.302 446 H THR 60 H THR 60 -5.219 -3.815 7.420 447 HA THR 60 HA THR 60 -6.093 -4.017 10.086 448 HB THR 60 HB THR 60 -6.109 -1.362 9.069 449 HG1 THR 60 1HG THR 60 -6.481 -1.324 11.249 450 1HG2 THR 60 1HG2 THR 60 -8.204 -1.931 7.789 451 2HG2 THR 60 2HG2 THR 60 -8.929 -2.543 9.295 452 3HG2 THR 60 3HG2 THR 60 -8.531 -0.815 9.137 453 H PHE 61 H PHE 61 -7.017 -3.467 6.646 454 HA PHE 61 HA PHE 61 -9.495 -4.602 6.690 455 1HB PHE 61 1HB PHE 61 -7.160 -4.685 4.697 456 2HB PHE 61 2HB PHE 61 -8.746 -5.289 4.263 457 HD1 PHE 61 1HD PHE 61 -6.907 -2.819 3.319 458 HD2 PHE 61 2HD PHE 61 -10.473 -3.244 5.580 459 HE1 PHE 61 1HE PHE 61 -7.607 -0.503 2.650 460 HE2 PHE 61 2HE PHE 61 -11.172 -0.928 4.911 461 HZ PHE 61 HZ PHE 61 -9.731 0.415 3.454 462 H GLY 62 H GLY 62 -9.933 -6.806 5.344 463 1HA GLY 62 1HA GLY 62 -8.735 -8.898 6.996 464 2HA GLY 62 2HA GLY 62 -10.175 -9.015 6.003 465 H ILE 63 H ILE 63 -8.758 -11.128 5.553 466 HA ILE 63 HA ILE 63 -6.553 -10.804 3.809 467 HB ILE 63 HB ILE 63 -8.279 -13.095 4.681 468 1HG1 ILE 63 1HG1 ILE 63 -5.297 -12.915 4.941 469 2HG1 ILE 63 2HG1 ILE 63 -6.300 -11.942 5.997 470 1HG2 ILE 63 1HG2 ILE 63 -7.785 -13.499 2.317 471 2HG2 ILE 63 2HG2 ILE 63 -6.050 -13.251 2.633 472 3HG2 ILE 63 3HG2 ILE 63 -6.903 -14.628 3.373 473 1HD1 ILE 63 1HD1 ILE 63 -7.349 -14.668 5.814 474 2HD1 ILE 63 2HD1 ILE 63 -5.647 -14.665 6.335 475 3HD1 ILE 63 3HD1 ILE 63 -6.861 -13.743 7.254 476 HA PRO 64 HA PRO 64 -9.911 -11.567 0.558 477 1HB PRO 64 1HB PRO 64 -12.536 -11.225 1.238 478 2HB PRO 64 2HB PRO 64 -11.751 -12.791 1.204 479 1HG PRO 64 1HG PRO 64 -12.499 -11.143 3.541 480 2HG PRO 64 2HG PRO 64 -12.116 -12.852 3.481 481 1HD PRO 64 1HD PRO 64 -10.411 -10.744 4.416 482 2HD PRO 64 2HD PRO 64 -9.989 -12.437 4.247 483 H ARG 65 H ARG 65 -11.106 -9.153 2.841 484 HA ARG 65 HA ARG 65 -11.987 -7.363 1.034 485 1HB ARG 65 1HB ARG 65 -11.381 -7.394 3.814 486 2HB ARG 65 2HB ARG 65 -10.524 -6.001 3.184 487 1HG ARG 65 1HG ARG 65 -12.849 -5.557 1.918 488 2HG ARG 65 2HG ARG 65 -13.493 -6.550 3.211 489 1HD ARG 65 1HD ARG 65 -11.656 -4.195 3.803 490 2HD ARG 65 2HD ARG 65 -13.381 -3.969 3.595 491 HE ARG 65 HE ARG 65 -12.683 -6.101 5.494 492 1HH1 ARG 65 2HH2 ARG 65 -13.356 -2.670 5.096 493 2HH1 ARG 65 1HH2 ARG 65 -13.796 -2.433 6.755 494 1HH2 ARG 65 2HH1 ARG 65 -13.263 -5.789 7.683 495 2HH2 ARG 65 1HH1 ARG 65 -13.743 -4.219 8.236 496 H LEU 66 H LEU 66 -8.621 -8.025 2.098 497 HA LEU 66 HA LEU 66 -7.401 -5.782 1.010 498 1HB LEU 66 1HB LEU 66 -6.535 -8.542 1.752 499 2HB LEU 66 2HB LEU 66 -5.435 -7.534 0.833 500 HG LEU 66 HG LEU 66 -6.690 -6.483 3.358 501 1HD1 LEU 66 1HD1 LEU 66 -5.214 -8.841 3.331 502 2HD1 LEU 66 2HD1 LEU 66 -4.033 -7.587 3.780 503 3HD1 LEU 66 3HD1 LEU 66 -5.524 -7.787 4.732 504 1HD2 LEU 66 1HD2 LEU 66 -4.057 -5.919 1.967 505 2HD2 LEU 66 2HD2 LEU 66 -5.514 -4.898 1.925 506 3HD2 LEU 66 3HD2 LEU 66 -4.641 -5.141 3.457 507 H GLU 67 H GLU 67 -8.078 -9.033 -0.439 508 HA GLU 67 HA GLU 67 -6.907 -8.428 -2.878 509 1HB GLU 67 1HB GLU 67 -8.845 -10.492 -1.865 510 2HB GLU 67 2HB GLU 67 -8.687 -10.318 -3.601 511 1HG GLU 67 1HG GLU 67 -6.078 -10.351 -2.193 512 2HG GLU 67 2HG GLU 67 -7.002 -11.822 -1.964 513 H LYS 68 H LYS 68 -10.272 -8.057 -1.636 514 HA LYS 68 HA LYS 68 -11.604 -7.460 -3.920 515 1HB LYS 68 1HB LYS 68 -11.923 -6.103 -1.226 516 2HB LYS 68 2HB LYS 68 -13.120 -6.142 -2.504 517 1HG LYS 68 1HG LYS 68 -12.632 -8.814 -2.305 518 2HG LYS 68 2HG LYS 68 -12.228 -8.343 -0.667 519 1HD LYS 68 1HD LYS 68 -14.874 -7.890 -2.113 520 2HD LYS 68 2HD LYS 68 -14.592 -8.910 -0.716 521 1HE LYS 68 1HE LYS 68 -13.755 -6.658 0.420 522 2HE LYS 68 2HE LYS 68 -14.662 -5.883 -0.863 523 1HZ LYS 68 1HZ LYS 68 -16.584 -6.528 0.032 524 2HZ LYS 68 2HZ LYS 68 -16.048 -8.003 0.482 525 3HZ LYS 68 3HZ LYS 68 -15.729 -6.700 1.412 526 H ILE 69 H ILE 69 -9.359 -5.370 -2.051 527 HA ILE 69 HA ILE 69 -9.887 -3.086 -3.671 528 HB ILE 69 HB ILE 69 -7.845 -3.790 -1.580 529 1HG1 ILE 69 1HG1 ILE 69 -9.578 -1.434 -1.265 530 2HG1 ILE 69 2HG1 ILE 69 -10.462 -2.942 -1.396 531 1HG2 ILE 69 1HG2 ILE 69 -7.556 -1.822 -3.659 532 2HG2 ILE 69 2HG2 ILE 69 -7.717 -1.018 -2.079 533 3HG2 ILE 69 3HG2 ILE 69 -6.448 -2.241 -2.330 534 1HD1 ILE 69 1HD1 ILE 69 -8.375 -2.150 0.655 535 2HD1 ILE 69 2HD1 ILE 69 -10.017 -2.784 0.919 536 3HD1 ILE 69 3HD1 ILE 69 -8.728 -3.867 0.342 537 H LEU 70 H LEU 70 -7.107 -5.408 -3.381 538 HA LEU 70 HA LEU 70 -5.523 -4.423 -5.344 539 1HB LEU 70 1HB LEU 70 -6.024 -7.093 -4.171 540 2HB LEU 70 2HB LEU 70 -5.172 -7.075 -5.702 541 HG LEU 70 HG LEU 70 -4.154 -5.176 -3.668 542 1HD1 LEU 70 1HD1 LEU 70 -2.947 -6.910 -2.413 543 2HD1 LEU 70 2HD1 LEU 70 -4.711 -7.044 -2.213 544 3HD1 LEU 70 3HD1 LEU 70 -3.850 -8.168 -3.291 545 1HD2 LEU 70 1HD2 LEU 70 -2.832 -7.172 -5.526 546 2HD2 LEU 70 2HD2 LEU 70 -3.055 -5.431 -5.820 547 3HD2 LEU 70 3HD2 LEU 70 -1.987 -5.982 -4.507 548 H ARG 71 H ARG 71 -8.315 -6.696 -5.750 549 HA ARG 71 HA ARG 71 -8.185 -7.277 -8.304 550 1HB ARG 71 1HB ARG 71 -10.410 -6.720 -6.420 551 2HB ARG 71 2HB ARG 71 -10.882 -6.551 -8.099 552 1HG ARG 71 1HG ARG 71 -10.460 -8.806 -8.599 553 2HG ARG 71 2HG ARG 71 -9.259 -8.976 -7.334 554 1HD ARG 71 1HD ARG 71 -11.067 -8.849 -5.601 555 2HD ARG 71 2HD ARG 71 -12.267 -8.681 -6.867 556 HE ARG 71 HE ARG 71 -11.002 -11.144 -6.022 557 1HH1 ARG 71 2HH2 ARG 71 -12.305 -9.513 -8.855 558 2HH1 ARG 71 1HH2 ARG 71 -12.676 -10.985 -9.690 559 1HH2 ARG 71 2HH1 ARG 71 -11.490 -13.086 -7.123 560 2HH2 ARG 71 1HH1 ARG 71 -12.209 -13.030 -8.698 561 H ASN 72 H ASN 72 -9.250 -4.102 -6.951 562 HA ASN 72 HA ASN 72 -9.334 -3.093 -9.678 563 1HB ASN 72 1HB ASN 72 -10.521 -2.022 -7.067 564 2HB ASN 72 2HB ASN 72 -10.542 -1.110 -8.563 565 1HD2 ASN 72 1HD2 ASN 72 -12.854 -1.749 -7.278 566 2HD2 ASN 72 2HD2 ASN 72 -13.776 -2.903 -8.183 567 H LYS 73 H LYS 73 -6.765 -3.456 -8.877 568 HA LYS 73 HA LYS 73 -5.832 -1.159 -7.394 569 1HB LYS 73 1HB LYS 73 -3.649 -2.226 -7.559 570 2HB LYS 73 2HB LYS 73 -4.852 -3.358 -6.975 571 1HG LYS 73 1HG LYS 73 -4.653 -4.710 -8.811 572 2HG LYS 73 2HG LYS 73 -4.632 -3.357 -9.924 573 1HD LYS 73 1HD LYS 73 -2.375 -3.472 -10.112 574 2HD LYS 73 2HD LYS 73 -2.178 -3.319 -8.377 575 1HE LYS 73 1HE LYS 73 -2.973 -5.904 -8.437 576 2HE LYS 73 2HE LYS 73 -2.323 -5.813 -10.062 577 1HZ LYS 73 1HZ LYS 73 -0.293 -5.831 -9.244 578 2HZ LYS 73 2HZ LYS 73 -0.582 -4.585 -8.228 579 3HZ LYS 73 3HZ LYS 73 -0.905 -6.114 -7.756 580 H ALA 74 H ALA 74 -6.717 -1.892 -10.609 581 HA ALA 74 HA ALA 74 -4.827 0.079 -11.673 582 1HB ALA 74 1HB ALA 74 -5.142 -2.305 -12.651 583 2HB ALA 74 2HB ALA 74 -6.688 -1.687 -13.280 584 3HB ALA 74 3HB ALA 74 -5.157 -0.929 -13.779 585 H LYS 75 H LYS 75 -8.233 -0.630 -10.964 586 HA LYS 75 HA LYS 75 -9.216 1.552 -12.529 587 1HB LYS 75 1HB LYS 75 -10.584 -0.099 -10.384 588 2HB LYS 75 2HB LYS 75 -11.371 0.980 -11.517 589 1HG LYS 75 1HG LYS 75 -9.621 -1.330 -12.456 590 2HG LYS 75 2HG LYS 75 -11.327 -1.545 -12.115 591 1HD LYS 75 1HD LYS 75 -11.498 0.653 -13.708 592 2HD LYS 75 2HD LYS 75 -10.009 -0.019 -14.343 593 1HE LYS 75 1HE LYS 75 -11.125 -2.181 -14.788 594 2HE LYS 75 2HE LYS 75 -12.602 -1.608 -14.040 595 1HZ LYS 75 1HZ LYS 75 -12.553 0.193 -15.749 596 2HZ LYS 75 2HZ LYS 75 -11.369 -0.633 -16.513 597 3HZ LYS 75 3HZ LYS 75 -12.845 -1.307 -16.324 598 H ILE 76 H ILE 76 -8.151 0.980 -9.173 599 HA ILE 76 HA ILE 76 -9.269 3.161 -7.940 600 HB ILE 76 HB ILE 76 -6.786 1.552 -7.544 601 1HG1 ILE 76 1HG1 ILE 76 -9.040 2.068 -5.605 602 2HG1 ILE 76 2HG1 ILE 76 -9.201 0.891 -6.894 603 1HG2 ILE 76 1HG2 ILE 76 -6.127 3.861 -6.990 604 2HG2 ILE 76 2HG2 ILE 76 -7.500 3.971 -5.863 605 3HG2 ILE 76 3HG2 ILE 76 -6.187 2.808 -5.556 606 1HD1 ILE 76 1HD1 ILE 76 -8.398 -0.286 -4.936 607 2HD1 ILE 76 2HD1 ILE 76 -7.039 -0.187 -6.081 608 3HD1 ILE 76 3HD1 ILE 76 -7.104 0.909 -4.680 609 H LYS 77 H LYS 77 -8.632 5.337 -7.591 610 HA LYS 77 HA LYS 77 -6.362 6.321 -9.080 611 1HB LYS 77 1HB LYS 77 -8.586 6.210 -10.541 612 2HB LYS 77 2HB LYS 77 -8.949 7.695 -9.686 613 1HG LYS 77 1HG LYS 77 -6.181 7.791 -10.523 614 2HG LYS 77 2HG LYS 77 -7.152 7.315 -11.902 615 1HD LYS 77 1HD LYS 77 -8.661 9.372 -10.713 616 2HD LYS 77 2HD LYS 77 -7.007 9.920 -10.530 617 1HE LYS 77 1HE LYS 77 -7.789 8.791 -13.210 618 2HE LYS 77 2HE LYS 77 -8.435 10.364 -12.786 619 1HZ LYS 77 1HZ LYS 77 -5.584 9.773 -12.495 620 2HZ LYS 77 2HZ LYS 77 -6.205 10.290 -13.914 621 3HZ LYS 77 3HZ LYS 77 -6.311 11.233 -12.584 622 H PHE 78 H PHE 78 -5.605 8.332 -8.278 623 HA PHE 78 HA PHE 78 -6.899 9.078 -5.756 624 1HB PHE 78 1HB PHE 78 -4.075 9.092 -6.917 625 2HB PHE 78 2HB PHE 78 -4.448 10.196 -5.608 626 HD1 PHE 78 1HD PHE 78 -3.160 9.319 -3.859 627 HD2 PHE 78 2HD PHE 78 -5.724 6.736 -6.041 628 HE1 PHE 78 1HE PHE 78 -2.734 7.490 -2.194 629 HE2 PHE 78 2HE PHE 78 -5.298 4.906 -4.376 630 HZ PHE 78 HZ PHE 78 -3.808 5.305 -2.472 631 H ILE 79 H ILE 79 -7.890 11.037 -5.624 632 HA ILE 79 HA ILE 79 -7.484 12.871 -7.849 633 HB ILE 79 HB ILE 79 -9.534 12.937 -5.633 634 1HG1 ILE 79 1HG1 ILE 79 -10.140 10.981 -6.661 635 2HG1 ILE 79 2HG1 ILE 79 -11.018 12.137 -7.643 636 1HG2 ILE 79 1HG2 ILE 79 -9.968 14.969 -6.421 637 2HG2 ILE 79 2HG2 ILE 79 -8.839 14.759 -7.781 638 3HG2 ILE 79 3HG2 ILE 79 -10.520 14.191 -7.924 639 1HD1 ILE 79 1HD1 ILE 79 -8.484 10.623 -8.309 640 2HD1 ILE 79 2HD1 ILE 79 -9.970 10.805 -9.272 641 3HD1 ILE 79 3HD1 ILE 79 -8.832 12.166 -9.126 642 H ILE 80 H ILE 80 -6.447 14.815 -7.670 643 HA ILE 80 HA ILE 80 -5.763 15.684 -4.958 644 HB ILE 80 HB ILE 80 -3.836 15.613 -7.280 645 1HG1 ILE 80 1HG1 ILE 80 -4.571 13.363 -6.189 646 2HG1 ILE 80 2HG1 ILE 80 -2.871 13.688 -6.466 647 1HG2 ILE 80 1HG2 ILE 80 -3.485 16.382 -4.371 648 2HG2 ILE 80 2HG2 ILE 80 -2.164 16.193 -5.549 649 3HG2 ILE 80 3HG2 ILE 80 -3.394 17.458 -5.786 650 1HD1 ILE 80 1HD1 ILE 80 -2.667 14.515 -4.096 651 2HD1 ILE 80 2HD1 ILE 80 -4.369 14.066 -3.833 652 3HD1 ILE 80 3HD1 ILE 80 -3.164 12.808 -4.198 653 H LYS 81 H LYS 81 -6.785 17.591 -4.681 654 HA LYS 81 HA LYS 81 -7.199 19.255 -7.039 655 1HB LYS 81 1HB LYS 81 -8.381 19.461 -4.253 656 2HB LYS 81 2HB LYS 81 -8.815 20.452 -5.631 657 1HG LYS 81 1HG LYS 81 -9.416 18.285 -6.872 658 2HG LYS 81 2HG LYS 81 -9.197 17.437 -5.354 659 1HD LYS 81 1HD LYS 81 -10.901 19.040 -4.314 660 2HD LYS 81 2HD LYS 81 -11.206 19.664 -5.923 661 1HE LYS 81 1HE LYS 81 -11.404 16.908 -6.314 662 2HE LYS 81 2HE LYS 81 -12.066 17.101 -4.703 663 1HZ LYS 81 1HZ LYS 81 -13.411 18.955 -5.714 664 2HZ LYS 81 2HZ LYS 81 -12.977 18.371 -7.176 665 3HZ LYS 81 3HZ LYS 81 -13.829 17.436 -6.143 666 H LYS 82 H LYS 82 -5.362 19.011 -4.028 667 HA LYS 82 HA LYS 82 -4.077 21.544 -4.750 668 1HB LYS 82 1HB LYS 82 -4.824 20.678 -1.941 669 2HB LYS 82 2HB LYS 82 -3.884 22.097 -2.357 670 1HG LYS 82 1HG LYS 82 -6.093 22.439 -3.984 671 2HG LYS 82 2HG LYS 82 -6.817 21.625 -2.611 672 1HD LYS 82 1HD LYS 82 -6.640 23.476 -1.302 673 2HD LYS 82 2HD LYS 82 -4.946 23.683 -1.700 674 1HE LYS 82 1HE LYS 82 -5.431 25.385 -3.121 675 2HE LYS 82 2HE LYS 82 -6.534 24.371 -4.030 676 1HZ LYS 82 1HZ LYS 82 -7.431 25.394 -1.468 677 2HZ LYS 82 2HZ LYS 82 -7.372 26.432 -2.728 678 3HZ LYS 82 3HZ LYS 82 -8.292 25.085 -2.821 679 HA PRO 83 HA PRO 83 -1.024 18.270 -4.503 680 1HB PRO 83 1HB PRO 83 0.348 18.930 -6.772 681 2HB PRO 83 2HB PRO 83 -0.954 17.758 -6.746 682 1HG PRO 83 1HG PRO 83 -0.977 20.532 -7.767 683 2HG PRO 83 2HG PRO 83 -2.098 19.228 -8.106 684 1HD PRO 83 1HD PRO 83 -2.533 21.453 -6.348 685 2HD PRO 83 2HD PRO 83 -3.605 20.090 -6.599 686 H GLU 84 H GLU 84 -0.880 21.673 -4.722 687 HA GLU 84 HA GLU 84 1.871 21.893 -4.281 688 1HB GLU 84 1HB GLU 84 1.322 24.256 -3.663 689 2HB GLU 84 2HB GLU 84 0.590 23.762 -5.177 690 1HG GLU 84 1HG GLU 84 -1.580 23.443 -4.129 691 2HG GLU 84 2HG GLU 84 -0.899 23.594 -2.522 692 H MET 85 H MET 85 -0.730 20.859 -2.269 693 HA MET 85 HA MET 85 0.615 21.702 0.144 694 1HB MET 85 1HB MET 85 -2.054 20.376 -0.520 695 2HB MET 85 2HB MET 85 -1.480 20.420 1.135 696 1HG MET 85 1HG MET 85 -1.411 22.870 1.121 697 2HG MET 85 2HG MET 85 -1.742 22.921 -0.599 698 1HE MET 85 1HE MET 85 -3.814 22.579 3.019 699 2HE MET 85 2HE MET 85 -4.490 21.027 2.468 700 3HE MET 85 3HE MET 85 -2.726 21.255 2.536 701 H PHE 86 H PHE 86 0.739 19.121 -2.054 702 HA PHE 86 HA PHE 86 1.142 17.061 -0.077 703 1HB PHE 86 1HB PHE 86 0.755 17.417 -3.001 704 2HB PHE 86 2HB PHE 86 2.023 16.255 -2.669 705 HD1 PHE 86 1HD PHE 86 1.414 14.045 -2.436 706 HD2 PHE 86 2HD PHE 86 -1.449 17.044 -1.532 707 HE1 PHE 86 1HE PHE 86 -0.317 12.272 -2.033 708 HE2 PHE 86 2HE PHE 86 -3.179 15.271 -1.129 709 HZ PHE 86 HZ PHE 86 -2.593 12.906 -1.385 710 H GLU 87 H GLU 87 3.035 19.347 -2.013 711 HA GLU 87 HA GLU 87 5.399 18.191 -2.303 712 1HB GLU 87 1HB GLU 87 4.420 20.864 -2.121 713 2HB GLU 87 2HB GLU 87 5.858 20.808 -1.121 714 1HG GLU 87 1HG GLU 87 6.146 19.390 -3.720 715 2HG GLU 87 2HG GLU 87 5.847 21.109 -3.881 716 H THR 88 H THR 88 4.249 19.740 0.775 717 HA THR 88 HA THR 88 6.476 19.329 2.317 718 HB THR 88 HB THR 88 3.479 19.345 2.888 719 HG1 THR 88 1HG THR 88 4.930 21.224 2.144 720 1HG2 THR 88 1HG2 THR 88 5.533 18.408 4.677 721 2HG2 THR 88 2HG2 THR 88 5.108 20.062 5.177 722 3HG2 THR 88 3HG2 THR 88 3.846 18.810 5.077 723 H ALA 89 H ALA 89 3.922 16.970 1.425 724 HA ALA 89 HA ALA 89 4.854 14.963 3.173 725 1HB ALA 89 1HB ALA 89 2.617 15.359 1.689 726 2HB ALA 89 2HB ALA 89 3.480 14.213 0.637 727 3HB ALA 89 3HB ALA 89 3.103 13.767 2.318 728 H ILE 90 H ILE 90 5.269 15.498 -0.400 729 HA ILE 90 HA ILE 90 6.938 13.357 -0.855 730 HB ILE 90 HB ILE 90 6.801 16.063 -2.185 731 1HG1 ILE 90 1HG1 ILE 90 5.716 13.825 -3.666 732 2HG1 ILE 90 2HG1 ILE 90 4.960 13.930 -2.089 733 1HG2 ILE 90 1HG2 ILE 90 8.252 13.540 -2.997 734 2HG2 ILE 90 2HG2 ILE 90 7.805 14.820 -4.150 735 3HG2 ILE 90 3HG2 ILE 90 8.908 15.183 -2.800 736 1HD1 ILE 90 1HD1 ILE 90 4.177 16.143 -2.463 737 2HD1 ILE 90 2HD1 ILE 90 5.324 16.415 -3.797 738 3HD1 ILE 90 3HD1 ILE 90 3.931 15.331 -4.027 739 H LYS 91 H LYS 91 7.654 16.637 0.417 740 HA LYS 91 HA LYS 91 10.402 16.554 0.246 741 1HB LYS 91 1HB LYS 91 8.386 18.003 1.875 742 2HB LYS 91 2HB LYS 91 10.014 17.974 2.522 743 1HG LYS 91 1HG LYS 91 10.480 18.508 -0.169 744 2HG LYS 91 2HG LYS 91 8.967 19.348 0.106 745 1HD LYS 91 1HD LYS 91 10.749 19.833 2.354 746 2HD LYS 91 2HD LYS 91 11.597 20.187 0.861 747 1HE LYS 91 1HE LYS 91 10.335 22.047 0.454 748 2HE LYS 91 2HE LYS 91 8.835 21.216 0.815 749 1HZ LYS 91 1HZ LYS 91 9.512 21.428 3.199 750 2HZ LYS 91 2HZ LYS 91 10.681 22.462 2.717 751 3HZ LYS 91 3HZ LYS 91 9.110 22.825 2.454 752 H GLU 92 H GLU 92 8.401 15.709 3.166 753 HA GLU 92 HA GLU 92 10.611 14.517 4.417 754 1HB GLU 92 1HB GLU 92 7.620 14.363 4.984 755 2HB GLU 92 2HB GLU 92 8.837 13.669 6.037 756 1HG GLU 92 1HG GLU 92 9.906 15.936 6.265 757 2HG GLU 92 2HG GLU 92 8.648 16.617 5.252 758 H SER 93 H SER 93 7.473 12.956 3.427 759 HA SER 93 HA SER 93 7.008 10.961 2.711 760 1HB SER 93 1HB SER 93 8.198 11.592 0.689 761 2HB SER 93 2HB SER 93 9.750 11.223 1.413 762 HG SER 93 HG SER 93 9.413 9.060 1.187 763 H SER 94 H SER 94 6.803 9.402 4.280 764 HA SER 94 HA SER 94 7.290 7.833 5.696 765 1HB SER 94 1HB SER 94 9.312 7.545 3.633 766 2HB SER 94 2HB SER 94 10.005 7.101 5.180 767 HG SER 94 HG SER 94 8.432 5.508 5.472 768 H GLY 95 H GLY 95 7.274 9.098 7.605 769 1HA GLY 95 1HA GLY 95 8.222 9.721 9.575 770 2HA GLY 95 2HA GLY 95 9.814 9.371 8.931 771 HA PRO 96 HA PRO 96 8.557 13.915 8.323 772 1HB PRO 96 1HB PRO 96 7.813 15.039 10.700 773 2HB PRO 96 2HB PRO 96 6.663 14.522 9.483 774 1HG PRO 96 1HG PRO 96 7.359 13.222 12.046 775 2HG PRO 96 2HG PRO 96 5.948 12.974 11.036 776 1HD PRO 96 1HD PRO 96 8.229 11.248 11.253 777 2HD PRO 96 2HD PRO 96 6.872 11.060 10.160 778 H SER 97 H SER 97 10.721 14.098 7.834 779 HA SER 97 HA SER 97 12.755 14.778 8.160 780 1HB SER 97 1HB SER 97 11.992 16.814 9.129 781 2HB SER 97 2HB SER 97 11.477 16.028 10.608 782 HG SER 97 HG SER 97 13.947 17.081 9.954 783 H SER 98 H SER 98 14.632 13.700 8.798 784 HA SER 98 HA SER 98 14.625 12.384 11.351 785 1HB SER 98 1HB SER 98 13.633 10.647 9.965 786 2HB SER 98 2HB SER 98 14.838 10.875 8.714 787 HG SER 98 HG SER 98 15.978 10.329 11.203 788 H GLY 99 H GLY 99 16.331 13.931 11.797 789 1HA GLY 99 1HA GLY 99 18.650 14.030 10.081 790 2HA GLY 99 2HA GLY 99 18.394 14.876 11.594 Start of MODEL 14 1 1H GLY 1 H GLY 1 6.896 -19.750 14.214 2 1HA GLY 1 1HA GLY 1 4.143 -20.142 14.198 3 2HA GLY 1 2HA GLY 1 4.969 -18.607 14.375 4 H SER 2 H SER 2 2.445 -19.348 12.876 5 HA SER 2 HA SER 2 3.355 -18.448 10.253 6 1HB SER 2 1HB SER 2 1.461 -19.641 9.253 7 2HB SER 2 2HB SER 2 2.432 -20.756 10.194 8 HG SER 2 HG SER 2 0.094 -20.968 10.547 9 H SER 3 H SER 3 2.232 -16.678 9.320 10 HA SER 3 HA SER 3 0.568 -15.273 11.214 11 1HB SER 3 1HB SER 3 2.479 -14.096 10.128 12 2HB SER 3 2HB SER 3 1.764 -14.377 8.553 13 HG SER 3 HG SER 3 0.853 -12.460 8.913 14 H GLY 4 H GLY 4 0.554 -15.826 7.608 15 1HA GLY 4 1HA GLY 4 -1.280 -16.960 6.573 16 2HA GLY 4 2HA GLY 4 -2.354 -16.308 7.794 17 H SER 5 H SER 5 -2.647 -13.875 7.864 18 HA SER 5 HA SER 5 -3.119 -12.980 5.235 19 1HB SER 5 1HB SER 5 -3.215 -11.220 7.705 20 2HB SER 5 2HB SER 5 -4.197 -11.112 6.257 21 HG SER 5 HG SER 5 -4.356 -13.034 8.396 22 H SER 6 H SER 6 -0.987 -12.924 4.247 23 HA SER 6 HA SER 6 0.514 -10.590 5.121 24 1HB SER 6 1HB SER 6 1.478 -13.401 4.744 25 2HB SER 6 2HB SER 6 2.524 -12.138 4.129 26 HG SER 6 HG SER 6 3.207 -12.145 6.182 27 H GLY 7 H GLY 7 2.398 -10.362 3.151 28 1HA GLY 7 1HA GLY 7 2.762 -9.871 0.984 29 2HA GLY 7 2HA GLY 7 1.517 -11.022 0.542 30 H LEU 8 H LEU 8 -0.848 -10.262 0.976 31 HA LEU 8 HA LEU 8 -1.489 -8.180 -0.579 32 1HB LEU 8 1HB LEU 8 -2.946 -9.053 1.920 33 2HB LEU 8 2HB LEU 8 -3.633 -8.096 0.622 34 HG LEU 8 HG LEU 8 -2.676 -10.965 0.450 35 1HD1 LEU 8 1HD1 LEU 8 -5.254 -11.014 -0.337 36 2HD1 LEU 8 2HD1 LEU 8 -4.727 -11.261 1.345 37 3HD1 LEU 8 3HD1 LEU 8 -5.312 -9.664 0.822 38 1HD2 LEU 8 1HD2 LEU 8 -3.171 -8.962 -1.657 39 2HD2 LEU 8 2HD2 LEU 8 -2.228 -10.472 -1.694 40 3HD2 LEU 8 3HD2 LEU 8 -3.997 -10.522 -1.889 41 H LYS 9 H LYS 9 -1.051 -7.982 3.022 42 HA LYS 9 HA LYS 9 -1.540 -5.363 3.408 43 1HB LYS 9 1HB LYS 9 -0.355 -7.449 4.839 44 2HB LYS 9 2HB LYS 9 0.865 -6.192 4.835 45 1HG LYS 9 1HG LYS 9 -1.091 -4.569 5.476 46 2HG LYS 9 2HG LYS 9 -1.994 -6.022 5.854 47 1HD LYS 9 1HD LYS 9 0.664 -6.208 7.028 48 2HD LYS 9 2HD LYS 9 -0.069 -4.686 7.493 49 1HE LYS 9 1HE LYS 9 -1.772 -5.705 8.704 50 2HE LYS 9 2HE LYS 9 -1.848 -7.097 7.641 51 1HZ LYS 9 1HZ LYS 9 0.603 -6.806 9.113 52 2HZ LYS 9 2HZ LYS 9 -0.715 -7.139 10.018 53 3HZ LYS 9 3HZ LYS 9 -0.278 -8.147 8.809 54 H GLN 10 H GLN 10 1.693 -6.737 2.468 55 HA GLN 10 HA GLN 10 2.843 -4.232 2.135 56 1HB GLN 10 1HB GLN 10 3.659 -6.936 1.999 57 2HB GLN 10 2HB GLN 10 4.024 -6.285 0.414 58 1HG GLN 10 1HG GLN 10 5.110 -4.280 1.660 59 2HG GLN 10 2HG GLN 10 4.993 -5.255 3.111 60 1HE2 GLN 10 1HE2 GLN 10 6.911 -4.409 0.574 61 2HE2 GLN 10 2HE2 GLN 10 8.031 -5.729 0.544 62 H LYS 11 H LYS 11 1.332 -6.543 -0.208 63 HA LYS 11 HA LYS 11 1.875 -5.180 -2.528 64 1HB LYS 11 1HB LYS 11 -0.543 -6.845 -1.772 65 2HB LYS 11 2HB LYS 11 -0.168 -6.333 -3.405 66 1HG LYS 11 1HG LYS 11 1.685 -7.742 -3.583 67 2HG LYS 11 2HG LYS 11 2.036 -7.683 -1.867 68 1HD LYS 11 1HD LYS 11 0.874 -9.598 -1.514 69 2HD LYS 11 2HD LYS 11 -0.570 -8.895 -2.216 70 1HE LYS 11 1HE LYS 11 0.197 -9.511 -4.494 71 2HE LYS 11 2HE LYS 11 1.702 -10.132 -3.845 72 1HZ LYS 11 1HZ LYS 11 -0.176 -11.750 -4.263 73 2HZ LYS 11 2HZ LYS 11 0.606 -11.876 -2.835 74 3HZ LYS 11 3HZ LYS 11 -0.863 -11.167 -2.901 75 H VAL 12 H VAL 12 -1.204 -4.959 -0.600 76 HA VAL 12 HA VAL 12 -2.253 -2.830 -1.998 77 HB VAL 12 HB VAL 12 -2.561 -3.724 0.869 78 1HG1 VAL 12 1HG1 VAL 12 -3.159 -1.266 0.421 79 2HG1 VAL 12 2HG1 VAL 12 -4.487 -1.899 -0.581 80 3HG1 VAL 12 3HG1 VAL 12 -4.414 -2.295 1.153 81 1HG2 VAL 12 1HG2 VAL 12 -3.510 -5.437 -0.289 82 2HG2 VAL 12 2HG2 VAL 12 -4.897 -4.323 -0.331 83 3HG2 VAL 12 3HG2 VAL 12 -3.810 -4.443 -1.735 84 H GLU 13 H GLU 13 0.025 -2.900 0.791 85 HA GLU 13 HA GLU 13 -0.012 -0.255 1.410 86 1HB GLU 13 1HB GLU 13 2.021 -2.454 1.612 87 2HB GLU 13 2HB GLU 13 2.594 -0.820 1.881 88 1HG GLU 13 1HG GLU 13 1.140 -0.476 3.739 89 2HG GLU 13 2HG GLU 13 0.082 -1.794 3.278 90 H ASN 14 H ASN 14 2.131 -1.944 -0.991 91 HA ASN 14 HA ASN 14 3.435 0.354 -1.798 92 1HB ASN 14 1HB ASN 14 2.961 -2.390 -2.984 93 2HB ASN 14 2HB ASN 14 3.644 -1.159 -4.027 94 1HD2 ASN 14 1HD2 ASN 14 4.137 -3.295 -1.386 95 2HD2 ASN 14 2HD2 ASN 14 5.813 -2.977 -1.084 96 H LEU 15 H LEU 15 0.496 -1.389 -3.000 97 HA LEU 15 HA LEU 15 -0.028 -0.152 -5.324 98 1HB LEU 15 1HB LEU 15 -1.586 -1.704 -4.873 99 2HB LEU 15 2HB LEU 15 -1.635 -1.336 -3.160 100 HG LEU 15 HG LEU 15 -2.995 0.705 -3.693 101 1HD1 LEU 15 1HD1 LEU 15 -3.949 1.053 -5.835 102 2HD1 LEU 15 2HD1 LEU 15 -2.200 0.838 -6.087 103 3HD1 LEU 15 3HD1 LEU 15 -3.323 -0.496 -6.449 104 1HD2 LEU 15 1HD2 LEU 15 -4.386 -1.746 -4.752 105 2HD2 LEU 15 2HD2 LEU 15 -3.876 -1.633 -3.050 106 3HD2 LEU 15 3HD2 LEU 15 -5.020 -0.444 -3.717 107 H PHE 16 H PHE 16 -1.340 1.083 -2.162 108 HA PHE 16 HA PHE 16 -2.243 3.477 -3.115 109 1HB PHE 16 1HB PHE 16 -0.893 2.730 -0.452 110 2HB PHE 16 2HB PHE 16 -1.867 4.170 -0.667 111 HD1 PHE 16 1HD PHE 16 -2.213 1.702 1.233 112 HD2 PHE 16 2HD PHE 16 -4.001 2.847 -2.441 113 HE1 PHE 16 1HE PHE 16 -4.273 0.397 1.828 114 HE2 PHE 16 2HE PHE 16 -6.061 1.543 -1.846 115 HZ PHE 16 HZ PHE 16 -6.172 0.333 0.282 116 H ASN 17 H ASN 17 0.889 3.025 -1.311 117 HA ASN 17 HA ASN 17 1.913 5.437 -1.544 118 1HB ASN 17 1HB ASN 17 3.286 2.740 -1.956 119 2HB ASN 17 2HB ASN 17 4.210 4.227 -1.876 120 1HD2 ASN 17 1HD2 ASN 17 4.670 5.126 0.022 121 2HD2 ASN 17 2HD2 ASN 17 4.118 4.578 1.570 122 H GLU 18 H GLU 18 2.265 2.799 -4.041 123 HA GLU 18 HA GLU 18 3.656 4.257 -5.884 124 1HB GLU 18 1HB GLU 18 2.078 1.770 -5.836 125 2HB GLU 18 2HB GLU 18 2.035 2.548 -7.405 126 1HG GLU 18 1HG GLU 18 4.747 2.624 -6.308 127 2HG GLU 18 2HG GLU 18 4.144 0.979 -6.323 128 H LYS 19 H LYS 19 0.065 3.640 -5.824 129 HA LYS 19 HA LYS 19 -0.634 5.201 -7.942 130 1HB LYS 19 1HB LYS 19 -2.097 4.651 -5.348 131 2HB LYS 19 2HB LYS 19 -2.837 5.455 -6.718 132 1HG LYS 19 1HG LYS 19 -1.578 2.670 -6.771 133 2HG LYS 19 2HG LYS 19 -3.298 3.005 -6.731 134 1HD LYS 19 1HD LYS 19 -2.283 4.547 -8.898 135 2HD LYS 19 2HD LYS 19 -1.480 2.994 -9.019 136 1HE LYS 19 1HE LYS 19 -3.758 1.873 -8.807 137 2HE LYS 19 2HE LYS 19 -4.495 3.461 -8.867 138 1HZ LYS 19 1HZ LYS 19 -3.141 2.003 -10.967 139 2HZ LYS 19 2HZ LYS 19 -4.485 2.927 -11.043 140 3HZ LYS 19 3HZ LYS 19 -3.013 3.631 -10.989 141 H CYS 20 H CYS 20 0.174 6.193 -4.589 142 HA CYS 20 HA CYS 20 -0.709 8.718 -4.511 143 1HB CYS 20 1HB CYS 20 1.005 7.236 -2.989 144 2HB CYS 20 2HB CYS 20 2.107 8.440 -3.627 145 HG CYS 20 HG CYS 20 -0.191 10.235 -3.171 146 H GLY 21 H GLY 21 2.686 7.925 -5.572 147 1HA GLY 21 1HA GLY 21 3.321 10.327 -6.721 148 2HA GLY 21 2HA GLY 21 3.968 8.775 -7.215 149 H GLU 22 H GLU 22 1.773 7.448 -8.313 150 HA GLU 22 HA GLU 22 1.723 8.282 -10.843 151 1HB GLU 22 1HB GLU 22 0.462 6.290 -9.365 152 2HB GLU 22 2HB GLU 22 -0.897 7.196 -9.999 153 1HG GLU 22 1HG GLU 22 1.110 6.856 -12.087 154 2HG GLU 22 2HG GLU 22 0.722 5.298 -11.384 155 H ALA 23 H ALA 23 -0.388 9.414 -8.168 156 HA ALA 23 HA ALA 23 -2.269 10.797 -9.623 157 1HB ALA 23 1HB ALA 23 -1.044 11.725 -7.002 158 2HB ALA 23 2HB ALA 23 -2.714 11.952 -7.576 159 3HB ALA 23 3HB ALA 23 -2.144 10.330 -7.115 160 H LEU 24 H LEU 24 0.840 12.075 -8.226 161 HA LEU 24 HA LEU 24 0.566 14.524 -9.646 162 1HB LEU 24 1HB LEU 24 2.920 13.315 -8.186 163 2HB LEU 24 2HB LEU 24 2.830 14.961 -8.780 164 HG LEU 24 HG LEU 24 0.529 14.595 -7.178 165 1HD1 LEU 24 1HD1 LEU 24 1.941 14.108 -4.985 166 2HD1 LEU 24 2HD1 LEU 24 1.179 12.803 -5.927 167 3HD1 LEU 24 3HD1 LEU 24 2.915 13.145 -6.123 168 1HD2 LEU 24 1HD2 LEU 24 1.522 16.329 -5.803 169 2HD2 LEU 24 2HD2 LEU 24 3.120 16.026 -6.526 170 3HD2 LEU 24 3HD2 LEU 24 1.800 16.678 -7.526 171 H GLY 25 H GLY 25 1.487 11.338 -10.526 172 1HA GLY 25 1HA GLY 25 2.029 10.618 -12.626 173 2HA GLY 25 2HA GLY 25 2.324 12.268 -13.136 174 H LEU 26 H LEU 26 3.681 9.835 -10.792 175 HA LEU 26 HA LEU 26 6.342 10.703 -11.689 176 1HB LEU 26 1HB LEU 26 5.543 9.771 -8.928 177 2HB LEU 26 2HB LEU 26 7.159 10.208 -9.446 178 HG LEU 26 HG LEU 26 4.785 12.088 -9.315 179 1HD1 LEU 26 1HD1 LEU 26 6.531 11.147 -7.267 180 2HD1 LEU 26 2HD1 LEU 26 6.908 12.858 -7.580 181 3HD1 LEU 26 3HD1 LEU 26 5.245 12.374 -7.167 182 1HD2 LEU 26 1HD2 LEU 26 7.688 12.760 -9.853 183 2HD2 LEU 26 2HD2 LEU 26 6.436 12.616 -11.110 184 3HD2 LEU 26 3HD2 LEU 26 6.296 13.869 -9.854 185 H LYS 27 H LYS 27 8.033 8.939 -11.434 186 HA LYS 27 HA LYS 27 6.820 6.449 -12.347 187 1HB LYS 27 1HB LYS 27 9.533 7.719 -12.664 188 2HB LYS 27 2HB LYS 27 9.324 5.999 -12.919 189 1HG LYS 27 1HG LYS 27 7.269 6.762 -14.432 190 2HG LYS 27 2HG LYS 27 8.103 8.302 -14.459 191 1HD LYS 27 1HD LYS 27 9.917 6.019 -14.955 192 2HD LYS 27 2HD LYS 27 8.628 6.124 -16.137 193 1HE LYS 27 1HE LYS 27 9.634 7.887 -17.151 194 2HE LYS 27 2HE LYS 27 9.642 8.796 -15.652 195 1HZ LYS 27 1HZ LYS 27 11.822 8.534 -15.766 196 2HZ LYS 27 2HZ LYS 27 11.595 6.991 -15.285 197 3HZ LYS 27 3HZ LYS 27 11.751 7.336 -16.873 198 H GLN 28 H GLN 28 7.390 7.745 -9.441 199 HA GLN 28 HA GLN 28 8.292 5.180 -8.398 200 1HB GLN 28 1HB GLN 28 9.529 6.383 -6.602 201 2HB GLN 28 2HB GLN 28 10.173 6.733 -8.194 202 1HG GLN 28 1HG GLN 28 8.030 8.613 -7.485 203 2HG GLN 28 2HG GLN 28 9.294 8.613 -6.271 204 1HE2 GLN 28 1HE2 GLN 28 10.464 10.348 -6.634 205 2HE2 GLN 28 2HE2 GLN 28 11.195 10.815 -8.134 206 H ALA 29 H ALA 29 7.921 5.534 -5.697 207 HA ALA 29 HA ALA 29 5.039 5.980 -5.587 208 1HB ALA 29 1HB ALA 29 6.837 4.032 -4.540 209 2HB ALA 29 2HB ALA 29 6.180 4.935 -3.154 210 3HB ALA 29 3HB ALA 29 5.076 4.139 -4.302 211 H VAL 30 H VAL 30 4.254 6.930 -3.390 212 HA VAL 30 HA VAL 30 6.095 8.823 -2.229 213 HB VAL 30 HB VAL 30 3.600 9.768 -3.653 214 1HG1 VAL 30 1HG1 VAL 30 5.809 11.349 -2.294 215 2HG1 VAL 30 2HG1 VAL 30 4.364 12.011 -3.094 216 3HG1 VAL 30 3HG1 VAL 30 4.194 11.041 -1.611 217 1HG2 VAL 30 1HG2 VAL 30 6.524 10.003 -4.429 218 2HG2 VAL 30 2HG2 VAL 30 5.225 9.182 -5.327 219 3HG2 VAL 30 3HG2 VAL 30 5.213 10.955 -5.165 220 H LYS 31 H LYS 31 5.715 8.855 -0.072 221 HA LYS 31 HA LYS 31 3.983 7.282 1.218 222 1HB LYS 31 1HB LYS 31 5.824 9.158 1.947 223 2HB LYS 31 2HB LYS 31 4.348 9.926 2.496 224 1HG LYS 31 1HG LYS 31 4.776 6.995 3.109 225 2HG LYS 31 2HG LYS 31 5.645 8.188 4.053 226 1HD LYS 31 1HD LYS 31 3.506 9.300 4.663 227 2HD LYS 31 2HD LYS 31 2.614 8.166 3.667 228 1HE LYS 31 1HE LYS 31 2.452 6.827 5.496 229 2HE LYS 31 2HE LYS 31 4.165 6.502 5.324 230 1HZ LYS 31 1HZ LYS 31 4.165 7.385 7.370 231 2HZ LYS 31 2HZ LYS 31 4.269 8.803 6.567 232 3HZ LYS 31 3HZ LYS 31 2.828 8.294 7.142 233 H VAL 32 H VAL 32 1.859 7.352 2.041 234 HA VAL 32 HA VAL 32 0.142 9.181 0.557 235 HB VAL 32 HB VAL 32 -0.314 6.610 2.069 236 1HG1 VAL 32 1HG1 VAL 32 -2.700 7.038 0.876 237 2HG1 VAL 32 2HG1 VAL 32 -2.346 7.496 2.559 238 3HG1 VAL 32 3HG1 VAL 32 -2.251 8.716 1.266 239 1HG2 VAL 32 1HG2 VAL 32 -0.323 5.579 0.067 240 2HG2 VAL 32 2HG2 VAL 32 -1.235 6.892 -0.716 241 3HG2 VAL 32 3HG2 VAL 32 0.527 7.033 -0.509 242 HA PRO 33 HA PRO 33 -0.100 11.460 4.302 243 1HB PRO 33 1HB PRO 33 -1.262 13.694 3.239 244 2HB PRO 33 2HB PRO 33 0.472 13.441 3.278 245 1HG PRO 33 1HG PRO 33 -1.381 13.229 0.985 246 2HG PRO 33 2HG PRO 33 0.362 13.402 0.974 247 1HD PRO 33 1HD PRO 33 -1.127 10.999 0.488 248 2HD PRO 33 2HD PRO 33 0.616 11.149 0.593 249 H PHE 34 H PHE 34 -1.658 9.473 4.572 250 HA PHE 34 HA PHE 34 -4.274 9.557 4.123 251 1HB PHE 34 1HB PHE 34 -2.618 8.896 6.611 252 2HB PHE 34 2HB PHE 34 -4.348 8.618 6.625 253 HD1 PHE 34 1HD PHE 34 -5.345 6.955 5.070 254 HD2 PHE 34 2HD PHE 34 -1.144 7.435 5.429 255 HE1 PHE 34 1HE PHE 34 -4.996 4.723 3.977 256 HE2 PHE 34 2HE PHE 34 -0.795 5.203 4.336 257 HZ PHE 34 HZ PHE 34 -2.726 3.873 3.623 258 H ALA 35 H ALA 35 -2.566 11.429 6.702 259 HA ALA 35 HA ALA 35 -4.706 12.427 8.057 260 1HB ALA 35 1HB ALA 35 -2.829 14.543 7.760 261 2HB ALA 35 2HB ALA 35 -2.948 13.367 9.090 262 3HB ALA 35 3HB ALA 35 -1.905 13.024 7.690 263 H LEU 36 H LEU 36 -3.127 13.877 5.119 264 HA LEU 36 HA LEU 36 -4.770 16.031 4.820 265 1HB LEU 36 1HB LEU 36 -3.127 14.343 3.016 266 2HB LEU 36 2HB LEU 36 -4.297 15.403 2.253 267 HG LEU 36 HG LEU 36 -3.255 17.287 3.676 268 1HD1 LEU 36 1HD1 LEU 36 -1.641 16.775 5.104 269 2HD1 LEU 36 2HD1 LEU 36 -1.694 15.071 4.593 270 3HD1 LEU 36 3HD1 LEU 36 -0.628 16.220 3.750 271 1HD2 LEU 36 1HD2 LEU 36 -1.292 16.255 1.666 272 2HD2 LEU 36 2HD2 LEU 36 -2.947 16.648 1.141 273 3HD2 LEU 36 3HD2 LEU 36 -1.935 17.897 1.904 274 H PHE 37 H PHE 37 -5.286 12.658 3.605 275 HA PHE 37 HA PHE 37 -7.746 13.246 2.391 276 1HB PHE 37 1HB PHE 37 -6.411 10.734 3.555 277 2HB PHE 37 2HB PHE 37 -7.923 10.647 2.672 278 HD1 PHE 37 1HD PHE 37 -4.343 11.496 2.373 279 HD2 PHE 37 2HD PHE 37 -7.964 10.730 0.298 280 HE1 PHE 37 1HE PHE 37 -3.073 11.347 0.213 281 HE2 PHE 37 2HE PHE 37 -6.694 10.581 -1.862 282 HZ PHE 37 HZ PHE 37 -4.264 10.891 -1.879 283 H GLU 38 H GLU 38 -6.827 13.032 5.709 284 HA GLU 38 HA GLU 38 -9.489 12.217 6.497 285 1HB GLU 38 1HB GLU 38 -6.980 12.741 8.150 286 2HB GLU 38 2HB GLU 38 -8.507 12.190 8.810 287 1HG GLU 38 1HG GLU 38 -7.808 10.486 6.572 288 2HG GLU 38 2HG GLU 38 -6.416 10.610 7.630 289 H SER 39 H SER 39 -7.104 14.883 7.165 290 HA SER 39 HA SER 39 -9.067 16.461 8.417 291 1HB SER 39 1HB SER 39 -6.225 16.872 7.487 292 2HB SER 39 2HB SER 39 -7.174 18.280 7.920 293 HG SER 39 HG SER 39 -6.183 17.648 9.819 294 H PHE 40 H PHE 40 -7.873 16.030 5.099 295 HA PHE 40 HA PHE 40 -9.811 18.058 4.243 296 1HB PHE 40 1HB PHE 40 -7.156 17.348 2.878 297 2HB PHE 40 2HB PHE 40 -8.168 18.737 2.538 298 HD1 PHE 40 1HD PHE 40 -5.209 17.798 4.008 299 HD2 PHE 40 2HD PHE 40 -8.607 20.215 4.797 300 HE1 PHE 40 1HE PHE 40 -3.857 19.176 5.612 301 HE2 PHE 40 2HE PHE 40 -7.255 21.592 6.401 302 HZ PHE 40 HZ PHE 40 -4.896 21.056 6.790 303 HA PRO 41 HA PRO 41 -10.555 14.037 2.231 304 1HB PRO 41 1HB PRO 41 -13.133 13.652 3.052 305 2HB PRO 41 2HB PRO 41 -11.751 12.957 3.875 306 1HG PRO 41 1HG PRO 41 -13.432 15.249 4.687 307 2HG PRO 41 2HG PRO 41 -12.344 14.285 5.665 308 1HD PRO 41 1HD PRO 41 -11.853 16.920 4.644 309 2HD PRO 41 2HD PRO 41 -10.723 15.909 5.523 310 H GLU 42 H GLU 42 -12.085 17.080 2.320 311 HA GLU 42 HA GLU 42 -13.579 16.469 -0.061 312 1HB GLU 42 1HB GLU 42 -13.599 18.569 2.017 313 2HB GLU 42 2HB GLU 42 -13.830 19.210 0.403 314 1HG GLU 42 1HG GLU 42 -15.462 16.937 0.397 315 2HG GLU 42 2HG GLU 42 -15.641 17.533 2.036 316 H ASP 43 H ASP 43 -10.779 16.154 -0.400 317 HA ASP 43 HA ASP 43 -10.407 17.935 -2.557 318 1HB ASP 43 1HB ASP 43 -8.542 18.114 -0.145 319 2HB ASP 43 2HB ASP 43 -8.153 18.776 -1.720 320 H PHE 44 H PHE 44 -8.909 15.682 -0.141 321 HA PHE 44 HA PHE 44 -7.496 14.382 -2.360 322 1HB PHE 44 1HB PHE 44 -7.045 14.275 0.682 323 2HB PHE 44 2HB PHE 44 -5.967 13.610 -0.529 324 HD1 PHE 44 1HD PHE 44 -5.520 15.628 -2.457 325 HD2 PHE 44 2HD PHE 44 -6.118 16.104 1.717 326 HE1 PHE 44 1HE PHE 44 -4.256 17.795 -2.523 327 HE2 PHE 44 2HE PHE 44 -4.854 18.271 1.651 328 HZ PHE 44 HZ PHE 44 -3.938 19.091 -0.468 329 H TYR 45 H TYR 45 -8.669 12.657 -3.084 330 HA TYR 45 HA TYR 45 -9.486 10.704 -1.085 331 1HB TYR 45 1HB TYR 45 -11.700 10.598 -2.505 332 2HB TYR 45 2HB TYR 45 -11.541 11.958 -1.411 333 HD1 TYR 45 1HD TYR 45 -10.801 14.206 -2.342 334 HD2 TYR 45 2HD TYR 45 -11.916 10.925 -4.851 335 HE1 TYR 45 1HE TYR 45 -11.148 15.803 -4.289 336 HE2 TYR 45 2HE TYR 45 -12.259 12.533 -6.790 337 HH TYR 45 HH TYR 45 -11.178 15.775 -6.653 338 H VAL 46 H VAL 46 -10.091 8.582 -2.132 339 HA VAL 46 HA VAL 46 -8.609 8.295 -4.655 340 HB VAL 46 HB VAL 46 -8.905 6.412 -2.308 341 1HG1 VAL 46 1HG1 VAL 46 -8.704 4.763 -3.817 342 2HG1 VAL 46 2HG1 VAL 46 -8.276 5.891 -5.125 343 3HG1 VAL 46 3HG1 VAL 46 -7.020 5.309 -4.006 344 1HG2 VAL 46 1HG2 VAL 46 -7.254 8.021 -1.782 345 2HG2 VAL 46 2HG2 VAL 46 -6.355 6.601 -2.367 346 3HG2 VAL 46 3HG2 VAL 46 -6.592 8.006 -3.434 347 H GLU 47 H GLU 47 -9.750 7.571 -6.386 348 HA GLU 47 HA GLU 47 -12.425 6.585 -5.790 349 1HB GLU 47 1HB GLU 47 -11.338 7.833 -8.353 350 2HB GLU 47 2HB GLU 47 -12.989 7.295 -8.116 351 1HG GLU 47 1HG GLU 47 -12.183 9.055 -5.925 352 2HG GLU 47 2HG GLU 47 -11.896 9.841 -7.465 353 H GLY 48 H GLY 48 -13.259 5.058 -7.706 354 1HA GLY 48 1HA GLY 48 -12.859 3.296 -9.138 355 2HA GLY 48 2HA GLY 48 -11.148 3.352 -8.765 356 H LEU 49 H LEU 49 -11.723 3.506 -5.769 357 HA LEU 49 HA LEU 49 -11.303 0.966 -5.042 358 1HB LEU 49 1HB LEU 49 -12.785 3.184 -3.654 359 2HB LEU 49 2HB LEU 49 -12.525 1.635 -2.877 360 HG LEU 49 HG LEU 49 -10.204 3.181 -4.015 361 1HD1 LEU 49 1HD1 LEU 49 -11.855 3.897 -1.680 362 2HD1 LEU 49 2HD1 LEU 49 -10.105 3.805 -1.366 363 3HD1 LEU 49 3HD1 LEU 49 -10.724 4.879 -2.643 364 1HD2 LEU 49 1HD2 LEU 49 -9.437 1.914 -1.679 365 2HD2 LEU 49 2HD2 LEU 49 -10.584 0.769 -2.415 366 3HD2 LEU 49 3HD2 LEU 49 -9.168 1.328 -3.338 367 HA PRO 50 HA PRO 50 -14.903 -1.313 -5.725 368 1HB PRO 50 1HB PRO 50 -14.688 -3.297 -3.858 369 2HB PRO 50 2HB PRO 50 -13.806 -3.306 -5.372 370 1HG PRO 50 1HG PRO 50 -12.813 -2.712 -2.651 371 2HG PRO 50 2HG PRO 50 -11.899 -3.141 -4.084 372 1HD PRO 50 1HD PRO 50 -12.174 -0.524 -2.942 373 2HD PRO 50 2HD PRO 50 -11.358 -0.935 -4.438 374 H GLU 51 H GLU 51 -17.021 -0.995 -5.440 375 HA GLU 51 HA GLU 51 -17.901 0.623 -3.477 376 1HB GLU 51 1HB GLU 51 -19.096 -0.307 -5.596 377 2HB GLU 51 2HB GLU 51 -19.622 -1.628 -4.571 378 1HG GLU 51 1HG GLU 51 -20.523 0.157 -2.941 379 2HG GLU 51 2HG GLU 51 -20.214 1.340 -4.196 380 H GLY 52 H GLY 52 -18.179 0.470 -1.290 381 1HA GLY 52 1HA GLY 52 -19.016 -0.634 0.609 382 2HA GLY 52 2HA GLY 52 -18.681 -2.186 -0.132 383 H VAL 53 H VAL 53 -16.090 -0.079 -0.812 384 HA VAL 53 HA VAL 53 -14.661 -0.940 1.605 385 HB VAL 53 HB VAL 53 -13.692 -0.988 -1.260 386 1HG1 VAL 53 1HG1 VAL 53 -12.245 -0.830 1.262 387 2HG1 VAL 53 2HG1 VAL 53 -11.837 -2.310 0.360 388 3HG1 VAL 53 3HG1 VAL 53 -11.642 -0.716 -0.409 389 1HG2 VAL 53 1HG2 VAL 53 -14.243 -3.152 -1.334 390 2HG2 VAL 53 2HG2 VAL 53 -13.468 -3.469 0.237 391 3HG2 VAL 53 3HG2 VAL 53 -15.154 -2.900 0.174 392 HA PRO 54 HA PRO 54 -14.222 3.472 1.376 393 1HB PRO 54 1HB PRO 54 -14.063 3.902 4.070 394 2HB PRO 54 2HB PRO 54 -15.576 3.908 3.187 395 1HG PRO 54 1HG PRO 54 -14.486 1.828 4.982 396 2HG PRO 54 2HG PRO 54 -16.137 2.054 4.439 397 1HD PRO 54 1HD PRO 54 -14.267 0.100 3.482 398 2HD PRO 54 2HD PRO 54 -15.878 0.402 2.860 399 H PHE 55 H PHE 55 -12.379 4.343 0.696 400 HA PHE 55 HA PHE 55 -9.983 3.220 0.878 401 1HB PHE 55 1HB PHE 55 -10.684 5.401 -0.258 402 2HB PHE 55 2HB PHE 55 -10.657 6.194 1.305 403 HD1 PHE 55 1HD PHE 55 -8.216 3.783 -0.147 404 HD2 PHE 55 2HD PHE 55 -8.945 7.757 1.153 405 HE1 PHE 55 1HE PHE 55 -5.788 4.333 -0.467 406 HE2 PHE 55 2HE PHE 55 -6.517 8.307 0.833 407 HZ PHE 55 HZ PHE 55 -4.968 6.589 0.027 408 H ARG 56 H ARG 56 -8.973 2.297 2.608 409 HA ARG 56 HA ARG 56 -8.560 4.035 4.880 410 1HB ARG 56 1HB ARG 56 -9.894 1.327 4.896 411 2HB ARG 56 2HB ARG 56 -8.828 1.705 6.235 412 1HG ARG 56 1HG ARG 56 -10.785 3.844 5.470 413 2HG ARG 56 2HG ARG 56 -11.470 2.395 6.178 414 1HD ARG 56 1HD ARG 56 -10.001 2.615 8.157 415 2HD ARG 56 2HD ARG 56 -9.184 3.988 7.436 416 HE ARG 56 HE ARG 56 -11.879 4.714 7.426 417 1HH1 ARG 56 2HH2 ARG 56 -9.569 3.720 9.887 418 2HH1 ARG 56 1HH2 ARG 56 -10.332 4.626 11.151 419 1HH2 ARG 56 2HH1 ARG 56 -12.885 5.910 9.093 420 2HH2 ARG 56 1HH1 ARG 56 -12.231 5.881 10.696 421 H ARG 57 H ARG 57 -6.953 2.597 6.498 422 HA ARG 57 HA ARG 57 -4.625 2.356 5.012 423 1HB ARG 57 1HB ARG 57 -5.334 1.441 7.842 424 2HB ARG 57 2HB ARG 57 -3.704 1.369 7.202 425 1HG ARG 57 1HG ARG 57 -3.401 3.649 7.330 426 2HG ARG 57 2HG ARG 57 -5.045 4.004 6.837 427 1HD ARG 57 1HD ARG 57 -5.897 3.495 9.086 428 2HD ARG 57 2HD ARG 57 -4.323 2.921 9.601 429 HE ARG 57 HE ARG 57 -4.346 5.693 8.603 430 1HH1 ARG 57 2HH2 ARG 57 -4.609 3.593 11.414 431 2HH1 ARG 57 1HH2 ARG 57 -4.196 4.840 12.543 432 1HH2 ARG 57 2HH1 ARG 57 -3.799 7.338 10.092 433 2HH2 ARG 57 1HH1 ARG 57 -3.732 6.984 11.787 434 HA PRO 58 HA PRO 58 -4.723 -1.858 3.890 435 1HB PRO 58 1HB PRO 58 -2.065 -2.455 3.671 436 2HB PRO 58 2HB PRO 58 -2.961 -1.602 2.430 437 1HG PRO 58 1HG PRO 58 -1.011 -0.530 4.377 438 2HG PRO 58 2HG PRO 58 -1.584 0.192 2.887 439 1HD PRO 58 1HD PRO 58 -2.381 0.893 5.551 440 2HD PRO 58 2HD PRO 58 -3.038 1.534 4.058 441 H SER 59 H SER 59 -2.357 -1.256 6.436 442 HA SER 59 HA SER 59 -2.503 -3.895 7.358 443 1HB SER 59 1HB SER 59 -1.379 -2.882 9.428 444 2HB SER 59 2HB SER 59 -0.540 -2.658 7.906 445 HG SER 59 HG SER 59 -0.550 -0.589 8.493 446 H THR 60 H THR 60 -5.066 -3.714 7.165 447 HA THR 60 HA THR 60 -6.094 -3.860 9.767 448 HB THR 60 HB THR 60 -5.875 -1.193 8.775 449 HG1 THR 60 1HG THR 60 -7.183 -0.952 10.812 450 1HG2 THR 60 1HG2 THR 60 -7.975 -1.592 7.449 451 2HG2 THR 60 2HG2 THR 60 -8.771 -2.186 8.926 452 3HG2 THR 60 3HG2 THR 60 -8.260 -0.485 8.814 453 H PHE 61 H PHE 61 -6.741 -3.250 6.283 454 HA PHE 61 HA PHE 61 -9.322 -4.237 6.237 455 1HB PHE 61 1HB PHE 61 -6.946 -4.026 4.343 456 2HB PHE 61 2HB PHE 61 -8.357 -4.902 3.785 457 HD1 PHE 61 1HD PHE 61 -6.839 -1.903 3.479 458 HD2 PHE 61 2HD PHE 61 -10.639 -3.457 4.553 459 HE1 PHE 61 1HE PHE 61 -7.916 0.262 2.804 460 HE2 PHE 61 2HE PHE 61 -11.715 -1.292 3.878 461 HZ PHE 61 HZ PHE 61 -10.341 0.542 3.011 462 H GLY 62 H GLY 62 -10.240 -6.291 5.818 463 1HA GLY 62 1HA GLY 62 -8.971 -8.495 6.981 464 2HA GLY 62 2HA GLY 62 -10.409 -8.525 5.981 465 H ILE 63 H ILE 63 -8.677 -10.660 5.784 466 HA ILE 63 HA ILE 63 -6.612 -10.397 3.948 467 HB ILE 63 HB ILE 63 -8.394 -12.714 4.686 468 1HG1 ILE 63 1HG1 ILE 63 -5.498 -12.391 5.422 469 2HG1 ILE 63 2HG1 ILE 63 -6.722 -11.519 6.324 470 1HG2 ILE 63 1HG2 ILE 63 -5.842 -13.473 3.547 471 2HG2 ILE 63 2HG2 ILE 63 -7.486 -14.012 3.130 472 3HG2 ILE 63 3HG2 ILE 63 -6.815 -12.543 2.383 473 1HD1 ILE 63 1HD1 ILE 63 -6.011 -14.330 6.475 474 2HD1 ILE 63 2HD1 ILE 63 -7.110 -13.399 7.521 475 3HD1 ILE 63 3HD1 ILE 63 -7.729 -14.167 6.039 476 HA PRO 64 HA PRO 64 -9.974 -11.167 0.700 477 1HB PRO 64 1HB PRO 64 -12.590 -10.736 1.364 478 2HB PRO 64 2HB PRO 64 -11.849 -12.324 1.371 479 1HG PRO 64 1HG PRO 64 -12.556 -10.599 3.664 480 2HG PRO 64 2HG PRO 64 -12.221 -12.319 3.647 481 1HD PRO 64 1HD PRO 64 -10.460 -10.237 4.535 482 2HD PRO 64 2HD PRO 64 -10.084 -11.944 4.408 483 H ARG 65 H ARG 65 -11.121 -8.669 2.916 484 HA ARG 65 HA ARG 65 -11.956 -6.897 1.083 485 1HB ARG 65 1HB ARG 65 -11.778 -6.807 3.738 486 2HB ARG 65 2HB ARG 65 -10.293 -5.928 3.430 487 1HG ARG 65 1HG ARG 65 -11.402 -4.048 2.743 488 2HG ARG 65 2HG ARG 65 -12.544 -4.960 1.775 489 1HD ARG 65 1HD ARG 65 -13.524 -3.697 3.798 490 2HD ARG 65 2HD ARG 65 -13.982 -5.381 3.646 491 HE ARG 65 HE ARG 65 -11.571 -5.059 5.249 492 1HH1 ARG 65 2HH2 ARG 65 -15.085 -4.894 5.350 493 2HH1 ARG 65 1HH2 ARG 65 -15.177 -5.204 7.052 494 1HH2 ARG 65 2HH1 ARG 65 -11.693 -5.468 7.494 495 2HH2 ARG 65 1HH1 ARG 65 -13.235 -5.532 8.279 496 H LEU 66 H LEU 66 -8.583 -7.526 2.198 497 HA LEU 66 HA LEU 66 -7.341 -5.384 0.970 498 1HB LEU 66 1HB LEU 66 -6.515 -8.107 1.866 499 2HB LEU 66 2HB LEU 66 -5.406 -7.188 0.868 500 HG LEU 66 HG LEU 66 -6.606 -5.996 3.366 501 1HD1 LEU 66 1HD1 LEU 66 -5.013 -6.912 4.759 502 2HD1 LEU 66 2HD1 LEU 66 -5.391 -8.285 3.691 503 3HD1 LEU 66 3HD1 LEU 66 -3.917 -7.326 3.419 504 1HD2 LEU 66 1HD2 LEU 66 -5.591 -4.291 2.195 505 2HD2 LEU 66 2HD2 LEU 66 -4.261 -4.843 3.241 506 3HD2 LEU 66 3HD2 LEU 66 -4.320 -5.347 1.535 507 H GLU 67 H GLU 67 -7.955 -8.728 -0.304 508 HA GLU 67 HA GLU 67 -6.817 -8.278 -2.765 509 1HB GLU 67 1HB GLU 67 -8.889 -10.197 -1.702 510 2HB GLU 67 2HB GLU 67 -8.602 -10.149 -3.430 511 1HG GLU 67 1HG GLU 67 -6.067 -10.164 -1.953 512 2HG GLU 67 2HG GLU 67 -7.067 -11.527 -1.488 513 H LYS 68 H LYS 68 -10.198 -7.767 -1.600 514 HA LYS 68 HA LYS 68 -11.495 -7.238 -3.902 515 1HB LYS 68 1HB LYS 68 -11.739 -5.698 -1.300 516 2HB LYS 68 2HB LYS 68 -12.937 -5.741 -2.577 517 1HG LYS 68 1HG LYS 68 -12.604 -8.420 -2.229 518 2HG LYS 68 2HG LYS 68 -12.169 -7.883 -0.618 519 1HD LYS 68 1HD LYS 68 -14.782 -7.312 -2.088 520 2HD LYS 68 2HD LYS 68 -14.574 -8.334 -0.680 521 1HE LYS 68 1HE LYS 68 -13.486 -5.673 -0.151 522 2HE LYS 68 2HE LYS 68 -15.140 -5.542 -0.717 523 1HZ LYS 68 1HZ LYS 68 -14.791 -5.909 1.723 524 2HZ LYS 68 2HZ LYS 68 -15.879 -6.892 1.004 525 3HZ LYS 68 3HZ LYS 68 -14.389 -7.452 1.371 526 H ILE 69 H ILE 69 -9.302 -5.002 -2.099 527 HA ILE 69 HA ILE 69 -9.695 -2.855 -3.886 528 HB ILE 69 HB ILE 69 -7.581 -3.506 -1.840 529 1HG1 ILE 69 1HG1 ILE 69 -9.227 -1.160 -1.383 530 2HG1 ILE 69 2HG1 ILE 69 -10.227 -2.578 -1.627 531 1HG2 ILE 69 1HG2 ILE 69 -7.894 -0.839 -3.224 532 2HG2 ILE 69 2HG2 ILE 69 -6.609 -1.371 -2.113 533 3HG2 ILE 69 3HG2 ILE 69 -6.720 -2.071 -3.745 534 1HD1 ILE 69 1HD1 ILE 69 -8.662 -3.792 0.041 535 2HD1 ILE 69 2HD1 ILE 69 -8.031 -2.176 0.438 536 3HD1 ILE 69 3HD1 ILE 69 -9.748 -2.552 0.714 537 H LEU 70 H LEU 70 -7.072 -5.341 -3.543 538 HA LEU 70 HA LEU 70 -5.504 -4.485 -5.629 539 1HB LEU 70 1HB LEU 70 -5.996 -7.123 -4.307 540 2HB LEU 70 2HB LEU 70 -5.001 -7.062 -5.748 541 HG LEU 70 HG LEU 70 -4.227 -5.043 -3.773 542 1HD1 LEU 70 1HD1 LEU 70 -3.097 -6.899 -2.339 543 2HD1 LEU 70 2HD1 LEU 70 -4.788 -6.444 -2.022 544 3HD1 LEU 70 3HD1 LEU 70 -4.423 -7.923 -2.943 545 1HD2 LEU 70 1HD2 LEU 70 -2.915 -5.684 -5.772 546 2HD2 LEU 70 2HD2 LEU 70 -2.006 -5.861 -4.252 547 3HD2 LEU 70 3HD2 LEU 70 -2.670 -7.299 -5.064 548 H ARG 71 H ARG 71 -8.469 -6.520 -5.652 549 HA ARG 71 HA ARG 71 -8.336 -7.373 -8.226 550 1HB ARG 71 1HB ARG 71 -10.621 -6.712 -6.350 551 2HB ARG 71 2HB ARG 71 -10.997 -7.140 -8.007 552 1HG ARG 71 1HG ARG 71 -9.053 -9.041 -7.091 553 2HG ARG 71 2HG ARG 71 -10.240 -8.883 -5.811 554 1HD ARG 71 1HD ARG 71 -11.386 -10.439 -7.070 555 2HD ARG 71 2HD ARG 71 -11.940 -9.018 -7.932 556 HE ARG 71 HE ARG 71 -9.410 -9.976 -8.994 557 1HH1 ARG 71 2HH2 ARG 71 -12.883 -10.544 -9.045 558 2HH1 ARG 71 1HH2 ARG 71 -12.866 -11.296 -10.606 559 1HH2 ARG 71 2HH1 ARG 71 -9.387 -10.968 -11.053 560 2HH2 ARG 71 1HH1 ARG 71 -10.864 -11.538 -11.755 561 H ASN 72 H ASN 72 -8.797 -4.144 -6.983 562 HA ASN 72 HA ASN 72 -9.424 -3.275 -9.690 563 1HB ASN 72 1HB ASN 72 -10.693 -2.498 -7.060 564 2HB ASN 72 2HB ASN 72 -10.491 -1.231 -8.254 565 1HD2 ASN 72 1HD2 ASN 72 -12.969 -1.950 -7.450 566 2HD2 ASN 72 2HD2 ASN 72 -13.835 -2.767 -8.708 567 H LYS 73 H LYS 73 -6.791 -3.519 -8.927 568 HA LYS 73 HA LYS 73 -5.810 -1.285 -7.488 569 1HB LYS 73 1HB LYS 73 -3.679 -2.175 -7.905 570 2HB LYS 73 2HB LYS 73 -4.728 -3.571 -7.756 571 1HG LYS 73 1HG LYS 73 -4.932 -3.641 -10.275 572 2HG LYS 73 2HG LYS 73 -3.801 -2.306 -10.379 573 1HD LYS 73 1HD LYS 73 -2.059 -3.745 -10.234 574 2HD LYS 73 2HD LYS 73 -2.614 -4.282 -8.660 575 1HE LYS 73 1HE LYS 73 -2.929 -6.311 -9.661 576 2HE LYS 73 2HE LYS 73 -4.386 -5.603 -10.329 577 1HZ LYS 73 1HZ LYS 73 -1.838 -5.226 -11.697 578 2HZ LYS 73 2HZ LYS 73 -2.668 -6.619 -11.891 579 3HZ LYS 73 3HZ LYS 73 -3.349 -5.197 -12.317 580 H ALA 74 H ALA 74 -6.164 -2.115 -10.984 581 HA ALA 74 HA ALA 74 -4.939 0.281 -11.867 582 1HB ALA 74 1HB ALA 74 -5.030 -1.746 -13.238 583 2HB ALA 74 2HB ALA 74 -6.809 -1.694 -13.237 584 3HB ALA 74 3HB ALA 74 -5.882 -0.418 -14.063 585 H LYS 75 H LYS 75 -8.348 -0.804 -11.344 586 HA LYS 75 HA LYS 75 -9.604 1.424 -12.375 587 1HB LYS 75 1HB LYS 75 -10.455 -0.345 -10.063 588 2HB LYS 75 2HB LYS 75 -11.503 0.749 -10.944 589 1HG LYS 75 1HG LYS 75 -9.921 -1.489 -12.290 590 2HG LYS 75 2HG LYS 75 -11.565 -1.689 -11.718 591 1HD LYS 75 1HD LYS 75 -11.220 0.735 -13.380 592 2HD LYS 75 2HD LYS 75 -10.816 -0.738 -14.239 593 1HE LYS 75 1HE LYS 75 -13.021 -1.722 -13.636 594 2HE LYS 75 2HE LYS 75 -13.426 -0.288 -12.712 595 1HZ LYS 75 1HZ LYS 75 -13.133 -0.551 -15.602 596 2HZ LYS 75 2HZ LYS 75 -14.373 0.085 -14.751 597 3HZ LYS 75 3HZ LYS 75 -12.974 0.913 -14.896 598 H ILE 76 H ILE 76 -8.358 0.808 -9.033 599 HA ILE 76 HA ILE 76 -9.241 3.057 -7.797 600 HB ILE 76 HB ILE 76 -6.773 1.387 -7.536 601 1HG1 ILE 76 1HG1 ILE 76 -8.952 1.911 -5.512 602 2HG1 ILE 76 2HG1 ILE 76 -9.144 0.721 -6.784 603 1HG2 ILE 76 1HG2 ILE 76 -5.768 3.338 -6.836 604 2HG2 ILE 76 2HG2 ILE 76 -7.286 4.034 -6.221 605 3HG2 ILE 76 3HG2 ILE 76 -6.471 2.736 -5.316 606 1HD1 ILE 76 1HD1 ILE 76 -8.193 -0.652 -5.189 607 2HD1 ILE 76 2HD1 ILE 76 -6.690 -0.027 -5.909 608 3HD1 ILE 76 3HD1 ILE 76 -7.321 0.688 -4.406 609 H LYS 77 H LYS 77 -8.612 5.224 -7.611 610 HA LYS 77 HA LYS 77 -6.338 6.122 -9.144 611 1HB LYS 77 1HB LYS 77 -8.536 5.955 -10.618 612 2HB LYS 77 2HB LYS 77 -8.931 7.462 -9.818 613 1HG LYS 77 1HG LYS 77 -7.080 8.602 -10.735 614 2HG LYS 77 2HG LYS 77 -6.162 7.130 -10.986 615 1HD LYS 77 1HD LYS 77 -7.499 6.494 -12.891 616 2HD LYS 77 2HD LYS 77 -8.740 7.671 -12.513 617 1HE LYS 77 1HE LYS 77 -6.841 9.461 -12.821 618 2HE LYS 77 2HE LYS 77 -5.950 8.175 -13.610 619 1HZ LYS 77 1HZ LYS 77 -7.278 8.276 -15.370 620 2HZ LYS 77 2HZ LYS 77 -8.652 8.425 -14.500 621 3HZ LYS 77 3HZ LYS 77 -7.736 9.741 -14.813 622 H PHE 78 H PHE 78 -5.370 7.839 -8.141 623 HA PHE 78 HA PHE 78 -6.683 8.774 -5.732 624 1HB PHE 78 1HB PHE 78 -3.930 8.695 -6.996 625 2HB PHE 78 2HB PHE 78 -4.221 10.004 -5.868 626 HD1 PHE 78 1HD PHE 78 -5.226 6.403 -5.862 627 HD2 PHE 78 2HD PHE 78 -3.178 9.540 -3.869 628 HE1 PHE 78 1HE PHE 78 -4.731 4.861 -3.944 629 HE2 PHE 78 2HE PHE 78 -2.683 7.998 -1.951 630 HZ PHE 78 HZ PHE 78 -3.465 5.677 -2.012 631 H ILE 79 H ILE 79 -7.414 10.859 -5.384 632 HA ILE 79 HA ILE 79 -7.115 12.681 -7.670 633 HB ILE 79 HB ILE 79 -9.399 12.532 -5.703 634 1HG1 ILE 79 1HG1 ILE 79 -9.378 10.510 -7.040 635 2HG1 ILE 79 2HG1 ILE 79 -10.702 11.546 -7.535 636 1HG2 ILE 79 1HG2 ILE 79 -9.510 14.689 -6.439 637 2HG2 ILE 79 2HG2 ILE 79 -8.714 14.325 -7.989 638 3HG2 ILE 79 3HG2 ILE 79 -10.420 13.884 -7.740 639 1HD1 ILE 79 1HD1 ILE 79 -8.080 11.028 -8.972 640 2HD1 ILE 79 2HD1 ILE 79 -9.741 10.853 -9.587 641 3HD1 ILE 79 3HD1 ILE 79 -9.051 12.474 -9.337 642 H ILE 80 H ILE 80 -6.242 14.682 -7.303 643 HA ILE 80 HA ILE 80 -5.929 15.480 -4.505 644 HB ILE 80 HB ILE 80 -3.711 15.675 -6.536 645 1HG1 ILE 80 1HG1 ILE 80 -4.459 13.437 -4.701 646 2HG1 ILE 80 2HG1 ILE 80 -3.771 13.387 -6.312 647 1HG2 ILE 80 1HG2 ILE 80 -2.383 16.499 -4.849 648 2HG2 ILE 80 2HG2 ILE 80 -3.957 17.215 -4.429 649 3HG2 ILE 80 3HG2 ILE 80 -3.374 15.776 -3.559 650 1HD1 ILE 80 1HD1 ILE 80 -1.721 14.625 -5.026 651 2HD1 ILE 80 2HD1 ILE 80 -2.403 13.699 -3.668 652 3HD1 ILE 80 3HD1 ILE 80 -1.860 12.854 -5.137 653 H LYS 81 H LYS 81 -7.086 17.320 -4.314 654 HA LYS 81 HA LYS 81 -7.204 19.072 -6.652 655 1HB LYS 81 1HB LYS 81 -8.917 19.156 -4.155 656 2HB LYS 81 2HB LYS 81 -9.186 20.011 -5.661 657 1HG LYS 81 1HG LYS 81 -9.109 17.533 -6.694 658 2HG LYS 81 2HG LYS 81 -9.534 17.073 -5.057 659 1HD LYS 81 1HD LYS 81 -11.687 17.697 -5.392 660 2HD LYS 81 2HD LYS 81 -11.187 19.323 -5.815 661 1HE LYS 81 1HE LYS 81 -10.673 17.330 -7.958 662 2HE LYS 81 2HE LYS 81 -12.370 17.506 -7.559 663 1HZ LYS 81 1HZ LYS 81 -11.913 19.120 -9.142 664 2HZ LYS 81 2HZ LYS 81 -11.948 19.959 -7.742 665 3HZ LYS 81 3HZ LYS 81 -10.517 19.594 -8.440 666 H LYS 82 H LYS 82 -5.261 18.582 -4.019 667 HA LYS 82 HA LYS 82 -4.444 21.356 -4.057 668 1HB LYS 82 1HB LYS 82 -5.437 19.978 -1.554 669 2HB LYS 82 2HB LYS 82 -4.356 21.355 -1.505 670 1HG LYS 82 1HG LYS 82 -6.161 22.424 -3.174 671 2HG LYS 82 2HG LYS 82 -7.220 21.224 -2.459 672 1HD LYS 82 1HD LYS 82 -6.897 22.113 -0.234 673 2HD LYS 82 2HD LYS 82 -5.534 23.091 -0.741 674 1HE LYS 82 1HE LYS 82 -6.882 24.705 -1.769 675 2HE LYS 82 2HE LYS 82 -8.161 23.565 -2.137 676 1HZ LYS 82 1HZ LYS 82 -7.633 24.966 0.341 677 2HZ LYS 82 2HZ LYS 82 -9.057 24.668 -0.400 678 3HZ LYS 82 3HZ LYS 82 -8.312 23.485 0.444 679 HA PRO 83 HA PRO 83 -1.117 18.294 -4.021 680 1HB PRO 83 1HB PRO 83 0.124 19.072 -6.328 681 2HB PRO 83 2HB PRO 83 -1.054 17.777 -6.264 682 1HG PRO 83 1HG PRO 83 -1.380 20.528 -7.294 683 2HG PRO 83 2HG PRO 83 -2.373 19.117 -7.599 684 1HD PRO 83 1HD PRO 83 -2.983 21.298 -5.838 685 2HD PRO 83 2HD PRO 83 -3.920 19.834 -6.056 686 H GLU 84 H GLU 84 -1.493 21.556 -3.742 687 HA GLU 84 HA GLU 84 1.228 22.260 -3.675 688 1HB GLU 84 1HB GLU 84 0.447 24.395 -2.819 689 2HB GLU 84 2HB GLU 84 -0.664 23.863 -4.066 690 1HG GLU 84 1HG GLU 84 -2.209 22.971 -2.310 691 2HG GLU 84 2HG GLU 84 -1.098 23.501 -1.062 692 H MET 85 H MET 85 -0.938 20.643 -1.464 693 HA MET 85 HA MET 85 0.771 21.280 0.785 694 1HB MET 85 1HB MET 85 -1.914 19.845 0.461 695 2HB MET 85 2HB MET 85 -1.064 19.859 1.993 696 1HG MET 85 1HG MET 85 -1.179 22.568 0.905 697 2HG MET 85 2HG MET 85 -2.790 21.880 0.955 698 1HE MET 85 1HE MET 85 -3.189 20.821 4.670 699 2HE MET 85 2HE MET 85 -3.853 20.782 3.019 700 3HE MET 85 3HE MET 85 -2.450 19.769 3.438 701 H PHE 86 H PHE 86 0.505 18.967 -1.706 702 HA PHE 86 HA PHE 86 1.322 16.711 -0.118 703 1HB PHE 86 1HB PHE 86 0.365 17.396 -2.827 704 2HB PHE 86 2HB PHE 86 1.751 16.330 -2.934 705 HD1 PHE 86 1HD PHE 86 -1.493 16.621 -1.110 706 HD2 PHE 86 2HD PHE 86 1.397 14.048 -2.853 707 HE1 PHE 86 1HE PHE 86 -2.976 14.648 -0.656 708 HE2 PHE 86 2HE PHE 86 -0.086 12.075 -2.399 709 HZ PHE 86 HZ PHE 86 -2.255 12.398 -1.306 710 H GLU 87 H GLU 87 2.792 19.275 -2.090 711 HA GLU 87 HA GLU 87 5.114 18.203 -2.852 712 1HB GLU 87 1HB GLU 87 4.076 20.812 -2.462 713 2HB GLU 87 2HB GLU 87 5.621 20.810 -1.634 714 1HG GLU 87 1HG GLU 87 6.134 19.436 -4.048 715 2HG GLU 87 2HG GLU 87 5.056 20.735 -4.519 716 H THR 88 H THR 88 4.387 19.552 0.437 717 HA THR 88 HA THR 88 6.861 19.201 1.584 718 HB THR 88 HB THR 88 3.995 19.079 2.621 719 HG1 THR 88 1HG THR 88 6.321 20.865 2.781 720 1HG2 THR 88 1HG2 THR 88 4.716 18.492 4.707 721 2HG2 THR 88 2HG2 THR 88 6.322 18.140 4.024 722 3HG2 THR 88 3HG2 THR 88 5.957 19.766 4.649 723 H ALA 89 H ALA 89 4.223 16.779 1.165 724 HA ALA 89 HA ALA 89 5.613 14.761 2.575 725 1HB ALA 89 1HB ALA 89 3.060 15.128 1.734 726 2HB ALA 89 2HB ALA 89 3.644 14.030 0.461 727 3HB ALA 89 3HB ALA 89 3.726 13.536 2.169 728 H ILE 90 H ILE 90 5.363 15.743 -0.884 729 HA ILE 90 HA ILE 90 6.759 13.547 -1.909 730 HB ILE 90 HB ILE 90 6.478 16.358 -2.976 731 1HG1 ILE 90 1HG1 ILE 90 4.798 13.914 -3.594 732 2HG1 ILE 90 2HG1 ILE 90 4.339 15.143 -2.432 733 1HG2 ILE 90 1HG2 ILE 90 6.647 14.629 -5.123 734 2HG2 ILE 90 2HG2 ILE 90 7.942 15.692 -4.521 735 3HG2 ILE 90 3HG2 ILE 90 7.865 13.994 -3.991 736 1HD1 ILE 90 1HD1 ILE 90 3.286 15.672 -4.564 737 2HD1 ILE 90 2HD1 ILE 90 4.554 16.884 -4.258 738 3HD1 ILE 90 3HD1 ILE 90 4.848 15.560 -5.411 739 H LYS 91 H LYS 91 7.778 16.503 -0.250 740 HA LYS 91 HA LYS 91 10.479 16.360 -1.122 741 1HB LYS 91 1HB LYS 91 8.834 18.037 0.652 742 2HB LYS 91 2HB LYS 91 10.484 17.836 1.206 743 1HG LYS 91 1HG LYS 91 11.407 18.810 -0.740 744 2HG LYS 91 2HG LYS 91 9.995 18.455 -1.715 745 1HD LYS 91 1HD LYS 91 9.494 20.666 -1.375 746 2HD LYS 91 2HD LYS 91 8.858 20.101 0.157 747 1HE LYS 91 1HE LYS 91 10.365 21.413 1.228 748 2HE LYS 91 2HE LYS 91 11.655 20.418 0.582 749 1HZ LYS 91 1HZ LYS 91 10.490 22.806 -0.665 750 2HZ LYS 91 2HZ LYS 91 12.013 22.624 -0.104 751 3HZ LYS 91 3HZ LYS 91 11.532 21.813 -1.437 752 H GLU 92 H GLU 92 8.713 15.404 1.896 753 HA GLU 92 HA GLU 92 11.055 14.295 3.013 754 1HB GLU 92 1HB GLU 92 8.200 14.602 3.761 755 2HB GLU 92 2HB GLU 92 8.952 13.161 4.414 756 1HG GLU 92 1HG GLU 92 10.933 14.967 4.938 757 2HG GLU 92 2HG GLU 92 9.551 16.043 4.983 758 H SER 93 H SER 93 7.912 12.639 2.224 759 HA SER 93 HA SER 93 7.489 10.587 1.630 760 1HB SER 93 1HB SER 93 9.369 11.677 -0.320 761 2HB SER 93 2HB SER 93 9.523 9.933 -0.241 762 HG SER 93 HG SER 93 6.931 11.179 -0.422 763 H SER 94 H SER 94 7.870 9.318 3.481 764 HA SER 94 HA SER 94 8.828 7.871 4.783 765 1HB SER 94 1HB SER 94 9.122 6.730 2.475 766 2HB SER 94 2HB SER 94 10.802 7.221 2.561 767 HG SER 94 HG SER 94 10.782 5.182 3.454 768 H GLY 95 H GLY 95 10.965 7.245 5.958 769 1HA GLY 95 1HA GLY 95 13.103 9.207 5.644 770 2HA GLY 95 2HA GLY 95 12.205 9.253 7.147 771 HA PRO 96 HA PRO 96 15.470 6.027 7.422 772 1HB PRO 96 1HB PRO 96 17.156 7.230 9.205 773 2HB PRO 96 2HB PRO 96 17.407 7.272 7.471 774 1HG PRO 96 1HG PRO 96 16.431 9.418 9.254 775 2HG PRO 96 2HG PRO 96 17.084 9.550 7.633 776 1HD PRO 96 1HD PRO 96 14.322 9.710 8.389 777 2HD PRO 96 2HD PRO 96 14.965 9.725 6.759 778 H SER 97 H SER 97 13.197 5.424 8.330 779 HA SER 97 HA SER 97 12.175 4.374 9.933 780 1HB SER 97 1HB SER 97 14.606 3.498 10.368 781 2HB SER 97 2HB SER 97 14.595 4.568 11.755 782 HG SER 97 HG SER 97 13.280 3.234 12.812 783 H SER 98 H SER 98 10.648 6.011 10.393 784 HA SER 98 HA SER 98 11.277 8.288 11.850 785 1HB SER 98 1HB SER 98 9.285 7.989 10.338 786 2HB SER 98 2HB SER 98 8.563 6.930 11.533 787 HG SER 98 HG SER 98 8.424 9.614 11.417 788 H GLY 99 H GLY 99 9.393 5.321 12.823 789 1HA GLY 99 1HA GLY 99 10.650 4.975 15.287 790 2HA GLY 99 2HA GLY 99 9.257 6.003 15.559 Start of MODEL 15 1 1H GLY 1 H GLY 1 4.256 -21.174 9.309 2 1HA GLY 1 1HA GLY 1 5.015 -19.441 7.128 3 2HA GLY 1 2HA GLY 1 3.481 -20.253 6.887 4 H SER 2 H SER 2 4.502 -17.345 7.665 5 HA SER 2 HA SER 2 3.835 -16.578 10.097 6 1HB SER 2 1HB SER 2 4.447 -15.172 8.008 7 2HB SER 2 2HB SER 2 2.728 -15.106 7.676 8 HG SER 2 HG SER 2 3.786 -14.348 10.250 9 H SER 3 H SER 3 1.424 -16.962 7.393 10 HA SER 3 HA SER 3 -0.699 -17.410 7.386 11 1HB SER 3 1HB SER 3 -0.133 -19.378 8.757 12 2HB SER 3 2HB SER 3 -0.228 -18.424 10.224 13 HG SER 3 HG SER 3 -2.369 -18.601 10.232 14 H GLY 4 H GLY 4 -2.522 -16.095 7.577 15 1HA GLY 4 1HA GLY 4 -3.889 -14.897 9.315 16 2HA GLY 4 2HA GLY 4 -2.409 -14.041 9.701 17 H SER 5 H SER 5 -3.424 -12.002 9.124 18 HA SER 5 HA SER 5 -4.223 -11.737 6.374 19 1HB SER 5 1HB SER 5 -4.708 -9.327 7.137 20 2HB SER 5 2HB SER 5 -5.666 -10.594 7.878 21 HG SER 5 HG SER 5 -3.227 -9.699 9.117 22 H SER 6 H SER 6 -2.084 -12.120 5.404 23 HA SER 6 HA SER 6 -0.433 -9.733 5.622 24 1HB SER 6 1HB SER 6 0.304 -12.392 6.409 25 2HB SER 6 2HB SER 6 1.204 -12.023 4.951 26 HG SER 6 HG SER 6 1.064 -10.159 7.150 27 H GLY 7 H GLY 7 1.379 -10.070 3.633 28 1HA GLY 7 1HA GLY 7 1.727 -10.421 1.405 29 2HA GLY 7 2HA GLY 7 0.185 -11.243 1.275 30 H LEU 8 H LEU 8 -1.795 -10.001 1.010 31 HA LEU 8 HA LEU 8 -1.738 -8.003 -0.768 32 1HB LEU 8 1HB LEU 8 -3.745 -8.287 1.473 33 2HB LEU 8 2HB LEU 8 -3.992 -7.424 -0.032 34 HG LEU 8 HG LEU 8 -5.046 -9.366 -0.556 35 1HD1 LEU 8 1HD1 LEU 8 -3.321 -9.146 -2.224 36 2HD1 LEU 8 2HD1 LEU 8 -2.162 -10.031 -1.204 37 3HD1 LEU 8 3HD1 LEU 8 -3.580 -10.872 -1.875 38 1HD2 LEU 8 1HD2 LEU 8 -5.101 -11.062 0.870 39 2HD2 LEU 8 2HD2 LEU 8 -3.431 -11.511 0.451 40 3HD2 LEU 8 3HD2 LEU 8 -3.736 -10.340 1.756 41 H LYS 9 H LYS 9 -1.714 -7.589 2.832 42 HA LYS 9 HA LYS 9 -1.837 -4.930 3.073 43 1HB LYS 9 1HB LYS 9 -0.735 -7.123 4.591 44 2HB LYS 9 2HB LYS 9 0.293 -5.716 4.765 45 1HG LYS 9 1HG LYS 9 -1.685 -4.328 5.382 46 2HG LYS 9 2HG LYS 9 -2.736 -5.714 5.168 47 1HD LYS 9 1HD LYS 9 -0.581 -6.496 6.928 48 2HD LYS 9 2HD LYS 9 -1.220 -4.970 7.504 49 1HE LYS 9 1HE LYS 9 -3.545 -5.940 7.428 50 2HE LYS 9 2HE LYS 9 -2.872 -7.473 6.912 51 1HZ LYS 9 1HZ LYS 9 -2.314 -6.105 9.450 52 2HZ LYS 9 2HZ LYS 9 -3.168 -7.483 9.251 53 3HZ LYS 9 3HZ LYS 9 -1.560 -7.469 8.963 54 H GLN 10 H GLN 10 1.274 -6.717 2.468 55 HA GLN 10 HA GLN 10 2.796 -4.468 2.135 56 1HB GLN 10 1HB GLN 10 3.194 -7.220 2.019 57 2HB GLN 10 2HB GLN 10 3.557 -6.725 0.378 58 1HG GLN 10 1HG GLN 10 4.880 -4.764 1.777 59 2HG GLN 10 2HG GLN 10 5.001 -6.089 2.917 60 1HE2 GLN 10 1HE2 GLN 10 5.547 -5.143 -0.441 61 2HE2 GLN 10 2HE2 GLN 10 6.852 -6.230 -0.780 62 H LYS 11 H LYS 11 1.042 -6.441 -0.354 63 HA LYS 11 HA LYS 11 1.855 -4.956 -2.554 64 1HB LYS 11 1HB LYS 11 -0.582 -6.666 -2.020 65 2HB LYS 11 2HB LYS 11 -0.278 -5.922 -3.577 66 1HG LYS 11 1HG LYS 11 1.301 -7.470 -4.109 67 2HG LYS 11 2HG LYS 11 2.144 -7.234 -2.591 68 1HD LYS 11 1HD LYS 11 1.311 -9.177 -1.772 69 2HD LYS 11 2HD LYS 11 -0.332 -8.626 -2.038 70 1HE LYS 11 1HE LYS 11 1.073 -9.437 -4.530 71 2HE LYS 11 2HE LYS 11 0.877 -10.741 -3.375 72 1HZ LYS 11 1HZ LYS 11 -1.007 -10.489 -4.872 73 2HZ LYS 11 2HZ LYS 11 -1.453 -10.308 -3.312 74 3HZ LYS 11 3HZ LYS 11 -1.310 -8.999 -4.277 75 H VAL 12 H VAL 12 -1.456 -4.832 -1.063 76 HA VAL 12 HA VAL 12 -2.338 -2.586 -2.250 77 HB VAL 12 HB VAL 12 -2.743 -3.395 0.637 78 1HG1 VAL 12 1HG1 VAL 12 -4.826 -2.186 0.553 79 2HG1 VAL 12 2HG1 VAL 12 -3.518 -1.084 0.058 80 3HG1 VAL 12 3HG1 VAL 12 -4.590 -1.801 -1.169 81 1HG2 VAL 12 1HG2 VAL 12 -3.771 -5.211 -0.147 82 2HG2 VAL 12 2HG2 VAL 12 -4.929 -4.164 -1.001 83 3HG2 VAL 12 3HG2 VAL 12 -3.447 -4.708 -1.823 84 H GLU 13 H GLU 13 -0.098 -2.819 0.555 85 HA GLU 13 HA GLU 13 -0.099 -0.180 1.260 86 1HB GLU 13 1HB GLU 13 1.792 -2.478 1.530 87 2HB GLU 13 2HB GLU 13 2.494 -0.890 1.769 88 1HG GLU 13 1HG GLU 13 -0.098 -1.662 3.157 89 2HG GLU 13 2HG GLU 13 1.450 -2.128 3.833 90 H ASN 14 H ASN 14 2.113 -1.889 -1.067 91 HA ASN 14 HA ASN 14 3.497 0.394 -1.781 92 1HB ASN 14 1HB ASN 14 2.981 -2.278 -3.152 93 2HB ASN 14 2HB ASN 14 3.919 -1.039 -3.963 94 1HD2 ASN 14 1HD2 ASN 14 3.778 -3.346 -1.397 95 2HD2 ASN 14 2HD2 ASN 14 5.419 -3.239 -0.852 96 H LEU 15 H LEU 15 0.581 -1.273 -3.132 97 HA LEU 15 HA LEU 15 0.194 -0.013 -5.471 98 1HB LEU 15 1HB LEU 15 -1.413 -1.536 -5.095 99 2HB LEU 15 2HB LEU 15 -1.543 -1.161 -3.388 100 HG LEU 15 HG LEU 15 -2.830 0.904 -3.990 101 1HD1 LEU 15 1HD1 LEU 15 -1.950 1.129 -6.297 102 2HD1 LEU 15 2HD1 LEU 15 -2.910 -0.293 -6.772 103 3HD1 LEU 15 3HD1 LEU 15 -3.727 1.185 -6.211 104 1HD2 LEU 15 1HD2 LEU 15 -3.852 -1.309 -3.334 105 2HD2 LEU 15 2HD2 LEU 15 -4.902 -0.216 -4.268 106 3HD2 LEU 15 3HD2 LEU 15 -4.128 -1.606 -5.067 107 H PHE 16 H PHE 16 -1.257 1.234 -2.376 108 HA PHE 16 HA PHE 16 -2.066 3.646 -3.337 109 1HB PHE 16 1HB PHE 16 -0.778 2.929 -0.634 110 2HB PHE 16 2HB PHE 16 -1.803 4.326 -0.893 111 HD1 PHE 16 1HD PHE 16 -3.751 2.749 -2.777 112 HD2 PHE 16 2HD PHE 16 -2.184 2.017 1.098 113 HE1 PHE 16 1HE PHE 16 -5.772 1.369 -2.220 114 HE2 PHE 16 2HE PHE 16 -4.205 0.637 1.655 115 HZ PHE 16 HZ PHE 16 -5.975 0.330 -0.011 116 H ASN 17 H ASN 17 0.994 3.166 -1.421 117 HA ASN 17 HA ASN 17 2.057 5.565 -1.658 118 1HB ASN 17 1HB ASN 17 3.350 2.817 -1.870 119 2HB ASN 17 2HB ASN 17 4.350 4.255 -1.940 120 1HD2 ASN 17 1HD2 ASN 17 4.870 5.313 -0.142 121 2HD2 ASN 17 2HD2 ASN 17 4.305 4.948 1.455 122 H GLU 18 H GLU 18 2.010 2.968 -4.168 123 HA GLU 18 HA GLU 18 3.669 4.304 -5.972 124 1HB GLU 18 1HB GLU 18 1.996 1.880 -5.920 125 2HB GLU 18 2HB GLU 18 2.013 2.638 -7.500 126 1HG GLU 18 1HG GLU 18 4.707 2.650 -6.394 127 2HG GLU 18 2HG GLU 18 4.055 1.025 -6.317 128 H LYS 19 H LYS 19 0.071 3.735 -6.120 129 HA LYS 19 HA LYS 19 -0.509 5.341 -8.218 130 1HB LYS 19 1HB LYS 19 -2.124 4.911 -5.687 131 2HB LYS 19 2HB LYS 19 -2.759 5.593 -7.171 132 1HG LYS 19 1HG LYS 19 -1.381 2.873 -7.081 133 2HG LYS 19 2HG LYS 19 -3.106 3.061 -6.835 134 1HD LYS 19 1HD LYS 19 -2.370 4.559 -9.197 135 2HD LYS 19 2HD LYS 19 -1.664 2.960 -9.327 136 1HE LYS 19 1HE LYS 19 -4.084 2.160 -8.517 137 2HE LYS 19 2HE LYS 19 -4.581 3.733 -9.109 138 1HZ LYS 19 1HZ LYS 19 -3.432 1.515 -10.599 139 2HZ LYS 19 2HZ LYS 19 -4.735 2.433 -10.956 140 3HZ LYS 19 3HZ LYS 19 -3.231 3.034 -11.164 141 H CYS 20 H CYS 20 0.047 6.318 -4.794 142 HA CYS 20 HA CYS 20 -0.738 8.872 -4.807 143 1HB CYS 20 1HB CYS 20 0.272 7.786 -2.865 144 2HB CYS 20 2HB CYS 20 1.846 7.792 -3.635 145 HG CYS 20 HG CYS 20 0.261 10.614 -3.685 146 H GLY 21 H GLY 21 2.702 7.937 -5.573 147 1HA GLY 21 1HA GLY 21 3.537 10.310 -6.653 148 2HA GLY 21 2HA GLY 21 4.154 8.732 -7.098 149 H GLU 22 H GLU 22 1.688 7.638 -8.225 150 HA GLU 22 HA GLU 22 1.984 8.434 -10.815 151 1HB GLU 22 1HB GLU 22 0.601 6.454 -9.500 152 2HB GLU 22 2HB GLU 22 -0.727 7.447 -10.067 153 1HG GLU 22 1HG GLU 22 1.404 6.969 -12.096 154 2HG GLU 22 2HG GLU 22 0.555 5.524 -11.584 155 H ALA 23 H ALA 23 -0.518 9.447 -8.394 156 HA ALA 23 HA ALA 23 -2.030 11.049 -10.042 157 1HB ALA 23 1HB ALA 23 -1.352 11.107 -7.091 158 2HB ALA 23 2HB ALA 23 -2.458 12.301 -7.812 159 3HB ALA 23 3HB ALA 23 -2.853 10.566 -7.881 160 H LEU 24 H LEU 24 0.867 11.932 -8.039 161 HA LEU 24 HA LEU 24 0.915 14.601 -8.887 162 1HB LEU 24 1HB LEU 24 3.009 12.773 -7.719 163 2HB LEU 24 2HB LEU 24 3.309 14.464 -8.069 164 HG LEU 24 HG LEU 24 2.771 14.016 -5.694 165 1HD1 LEU 24 1HD1 LEU 24 1.193 15.893 -7.390 166 2HD1 LEU 24 2HD1 LEU 24 0.738 15.727 -5.677 167 3HD1 LEU 24 3HD1 LEU 24 2.391 16.221 -6.116 168 1HD2 LEU 24 1HD2 LEU 24 -0.022 13.358 -6.662 169 2HD2 LEU 24 2HD2 LEU 24 1.171 12.158 -6.110 170 3HD2 LEU 24 3HD2 LEU 24 0.561 13.392 -4.981 171 H GLY 25 H GLY 25 1.709 11.617 -10.484 172 1HA GLY 25 1HA GLY 25 2.111 11.452 -12.754 173 2HA GLY 25 2HA GLY 25 2.619 13.129 -12.808 174 H LEU 26 H LEU 26 3.764 10.722 -10.396 175 HA LEU 26 HA LEU 26 6.453 11.103 -11.487 176 1HB LEU 26 1HB LEU 26 5.550 10.156 -8.763 177 2HB LEU 26 2HB LEU 26 7.214 10.350 -9.277 178 HG LEU 26 HG LEU 26 5.193 12.602 -9.109 179 1HD1 LEU 26 1HD1 LEU 26 5.558 12.700 -6.926 180 2HD1 LEU 26 2HD1 LEU 26 6.614 11.271 -7.024 181 3HD1 LEU 26 3HD1 LEU 26 7.302 12.901 -7.222 182 1HD2 LEU 26 1HD2 LEU 26 7.020 12.900 -10.780 183 2HD2 LEU 26 2HD2 LEU 26 7.033 14.099 -9.464 184 3HD2 LEU 26 3HD2 LEU 26 8.198 12.753 -9.454 185 H LYS 27 H LYS 27 7.925 9.103 -11.236 186 HA LYS 27 HA LYS 27 6.386 6.810 -12.218 187 1HB LYS 27 1HB LYS 27 8.660 8.155 -13.231 188 2HB LYS 27 2HB LYS 27 9.235 6.606 -12.648 189 1HG LYS 27 1HG LYS 27 6.685 6.280 -14.047 190 2HG LYS 27 2HG LYS 27 7.836 7.118 -15.069 191 1HD LYS 27 1HD LYS 27 9.172 5.269 -15.306 192 2HD LYS 27 2HD LYS 27 9.028 4.825 -13.616 193 1HE LYS 27 1HE LYS 27 7.642 3.149 -14.273 194 2HE LYS 27 2HE LYS 27 6.442 4.376 -14.626 195 1HZ LYS 27 1HZ LYS 27 7.575 4.570 -16.836 196 2HZ LYS 27 2HZ LYS 27 8.379 3.195 -16.477 197 3HZ LYS 27 3HZ LYS 27 6.749 3.184 -16.581 198 H GLN 28 H GLN 28 7.295 7.927 -9.344 199 HA GLN 28 HA GLN 28 8.138 5.276 -8.475 200 1HB GLN 28 1HB GLN 28 9.488 6.379 -6.681 201 2HB GLN 28 2HB GLN 28 10.076 6.743 -8.291 202 1HG GLN 28 1HG GLN 28 8.148 8.754 -7.753 203 2HG GLN 28 2HG GLN 28 9.027 8.565 -6.249 204 1HE2 GLN 28 1HE2 GLN 28 9.106 10.857 -7.820 205 2HE2 GLN 28 2HE2 GLN 28 10.703 11.091 -8.448 206 H ALA 29 H ALA 29 7.919 5.478 -5.753 207 HA ALA 29 HA ALA 29 5.061 5.923 -5.455 208 1HB ALA 29 1HB ALA 29 5.158 4.251 -3.918 209 2HB ALA 29 2HB ALA 29 6.730 3.894 -4.673 210 3HB ALA 29 3HB ALA 29 6.658 4.873 -3.188 211 H VAL 30 H VAL 30 4.292 6.973 -3.376 212 HA VAL 30 HA VAL 30 6.173 8.854 -2.232 213 HB VAL 30 HB VAL 30 3.673 9.737 -3.690 214 1HG1 VAL 30 1HG1 VAL 30 3.688 11.457 -2.258 215 2HG1 VAL 30 2HG1 VAL 30 5.261 10.975 -1.577 216 3HG1 VAL 30 3HG1 VAL 30 5.196 11.980 -3.045 217 1HG2 VAL 30 1HG2 VAL 30 5.273 9.358 -5.365 218 2HG2 VAL 30 2HG2 VAL 30 5.429 11.095 -5.006 219 3HG2 VAL 30 3HG2 VAL 30 6.614 9.940 -4.349 220 H LYS 31 H LYS 31 5.822 8.952 -0.069 221 HA LYS 31 HA LYS 31 4.065 7.373 1.241 222 1HB LYS 31 1HB LYS 31 6.018 9.161 1.942 223 2HB LYS 31 2HB LYS 31 4.591 9.953 2.578 224 1HG LYS 31 1HG LYS 31 4.074 7.402 3.400 225 2HG LYS 31 2HG LYS 31 5.825 7.337 3.371 226 1HD LYS 31 1HD LYS 31 4.478 9.705 4.687 227 2HD LYS 31 2HD LYS 31 4.525 8.178 5.546 228 1HE LYS 31 1HE LYS 31 7.155 8.541 4.513 229 2HE LYS 31 2HE LYS 31 6.674 10.113 5.119 230 1HZ LYS 31 1HZ LYS 31 6.366 7.649 6.682 231 2HZ LYS 31 2HZ LYS 31 7.686 8.606 6.775 232 3HZ LYS 31 3HZ LYS 31 6.225 9.186 7.217 233 H VAL 32 H VAL 32 1.895 7.244 1.414 234 HA VAL 32 HA VAL 32 0.293 9.307 0.265 235 HB VAL 32 HB VAL 32 -0.314 6.724 1.708 236 1HG1 VAL 32 1HG1 VAL 32 -2.636 6.979 0.972 237 2HG1 VAL 32 2HG1 VAL 32 -2.162 8.315 2.048 238 3HG1 VAL 32 3HG1 VAL 32 -2.258 8.579 0.291 239 1HG2 VAL 32 1HG2 VAL 32 -0.410 5.711 -0.331 240 2HG2 VAL 32 2HG2 VAL 32 -0.983 7.178 -1.160 241 3HG2 VAL 32 3HG2 VAL 32 0.740 7.005 -0.748 242 HA PRO 33 HA PRO 33 0.040 11.478 4.064 243 1HB PRO 33 1HB PRO 33 -1.152 13.729 3.073 244 2HB PRO 33 2HB PRO 33 0.584 13.487 3.080 245 1HG PRO 33 1HG PRO 33 -1.302 13.318 0.810 246 2HG PRO 33 2HG PRO 33 0.440 13.502 0.778 247 1HD PRO 33 1HD PRO 33 -1.041 11.103 0.255 248 2HD PRO 33 2HD PRO 33 0.702 11.261 0.338 249 H PHE 34 H PHE 34 -1.487 9.493 4.359 250 HA PHE 34 HA PHE 34 -4.114 9.556 3.936 251 1HB PHE 34 1HB PHE 34 -2.422 8.875 6.395 252 2HB PHE 34 2HB PHE 34 -4.147 8.570 6.416 253 HD1 PHE 34 1HD PHE 34 -5.106 7.049 4.591 254 HD2 PHE 34 2HD PHE 34 -0.955 7.328 5.426 255 HE1 PHE 34 1HE PHE 34 -4.730 4.842 3.457 256 HE2 PHE 34 2HE PHE 34 -0.579 5.120 4.292 257 HZ PHE 34 HZ PHE 34 -2.471 3.904 3.321 258 H ALA 35 H ALA 35 -2.414 11.330 6.600 259 HA ALA 35 HA ALA 35 -4.513 12.304 7.987 260 1HB ALA 35 1HB ALA 35 -2.197 12.714 8.599 261 2HB ALA 35 2HB ALA 35 -1.947 13.709 7.144 262 3HB ALA 35 3HB ALA 35 -3.029 14.279 8.438 263 H LEU 36 H LEU 36 -3.066 13.814 5.013 264 HA LEU 36 HA LEU 36 -4.750 15.945 4.795 265 1HB LEU 36 1HB LEU 36 -3.156 14.295 2.916 266 2HB LEU 36 2HB LEU 36 -4.373 15.337 2.205 267 HG LEU 36 HG LEU 36 -3.290 17.214 3.650 268 1HD1 LEU 36 1HD1 LEU 36 -1.683 15.046 4.452 269 2HD1 LEU 36 2HD1 LEU 36 -0.657 16.071 3.420 270 3HD1 LEU 36 3HD1 LEU 36 -1.472 16.770 4.839 271 1HD2 LEU 36 1HD2 LEU 36 -2.943 17.748 1.505 272 2HD2 LEU 36 2HD2 LEU 36 -1.303 17.105 1.765 273 3HD2 LEU 36 3HD2 LEU 36 -2.561 16.071 1.045 274 H PHE 37 H PHE 37 -5.258 12.598 3.493 275 HA PHE 37 HA PHE 37 -7.767 13.148 2.403 276 1HB PHE 37 1HB PHE 37 -6.410 10.635 3.543 277 2HB PHE 37 2HB PHE 37 -7.914 10.560 2.647 278 HD1 PHE 37 1HD PHE 37 -7.945 10.777 0.259 279 HD2 PHE 37 2HD PHE 37 -4.318 11.292 2.400 280 HE1 PHE 37 1HE PHE 37 -6.657 10.645 -1.891 281 HE2 PHE 37 2HE PHE 37 -3.030 11.160 0.250 282 HZ PHE 37 HZ PHE 37 -4.215 10.838 -1.870 283 H GLU 38 H GLU 38 -6.751 12.988 5.685 284 HA GLU 38 HA GLU 38 -9.391 12.156 6.551 285 1HB GLU 38 1HB GLU 38 -8.175 11.091 8.129 286 2HB GLU 38 2HB GLU 38 -6.705 11.894 7.616 287 1HG GLU 38 1HG GLU 38 -7.070 13.759 9.081 288 2HG GLU 38 2HG GLU 38 -8.757 13.351 9.323 289 H SER 39 H SER 39 -6.943 14.747 7.304 290 HA SER 39 HA SER 39 -8.835 16.340 8.603 291 1HB SER 39 1HB SER 39 -6.077 16.892 7.447 292 2HB SER 39 2HB SER 39 -7.007 18.149 8.237 293 HG SER 39 HG SER 39 -5.720 17.237 9.837 294 H PHE 40 H PHE 40 -7.688 16.048 5.231 295 HA PHE 40 HA PHE 40 -9.679 18.075 4.494 296 1HB PHE 40 1HB PHE 40 -7.034 17.372 3.093 297 2HB PHE 40 2HB PHE 40 -8.085 18.715 2.689 298 HD1 PHE 40 1HD PHE 40 -8.535 20.364 4.758 299 HD2 PHE 40 2HD PHE 40 -5.150 17.840 4.330 300 HE1 PHE 40 1HE PHE 40 -7.231 21.850 6.305 301 HE2 PHE 40 2HE PHE 40 -3.847 19.326 5.878 302 HZ PHE 40 HZ PHE 40 -4.903 21.313 6.847 303 HA PRO 41 HA PRO 41 -10.587 14.138 2.419 304 1HB PRO 41 1HB PRO 41 -13.188 13.880 3.217 305 2HB PRO 41 2HB PRO 41 -11.850 13.117 4.051 306 1HG PRO 41 1HG PRO 41 -13.422 15.489 4.851 307 2HG PRO 41 2HG PRO 41 -12.392 14.471 5.838 308 1HD PRO 41 1HD PRO 41 -11.762 17.079 4.823 309 2HD PRO 41 2HD PRO 41 -10.691 16.013 5.711 310 H GLU 42 H GLU 42 -12.097 17.217 2.553 311 HA GLU 42 HA GLU 42 -13.536 16.688 0.130 312 1HB GLU 42 1HB GLU 42 -13.522 18.763 2.231 313 2HB GLU 42 2HB GLU 42 -13.709 19.430 0.622 314 1HG GLU 42 1HG GLU 42 -15.821 18.592 0.394 315 2HG GLU 42 2HG GLU 42 -15.356 17.016 1.004 316 H ASP 43 H ASP 43 -10.856 16.218 -0.344 317 HA ASP 43 HA ASP 43 -10.367 18.096 -2.382 318 1HB ASP 43 1HB ASP 43 -8.493 18.015 0.026 319 2HB ASP 43 2HB ASP 43 -8.020 18.678 -1.525 320 H PHE 44 H PHE 44 -8.907 15.659 -0.112 321 HA PHE 44 HA PHE 44 -7.675 14.363 -2.436 322 1HB PHE 44 1HB PHE 44 -7.154 14.024 0.575 323 2HB PHE 44 2HB PHE 44 -6.133 13.426 -0.718 324 HD1 PHE 44 1HD PHE 44 -6.480 15.946 1.648 325 HD2 PHE 44 2HD PHE 44 -5.308 15.361 -2.388 326 HE1 PHE 44 1HE PHE 44 -5.135 18.063 1.732 327 HE2 PHE 44 2HE PHE 44 -3.962 17.478 -2.304 328 HZ PHE 44 HZ PHE 44 -3.892 18.804 -0.245 329 H TYR 45 H TYR 45 -8.244 12.282 -2.988 330 HA TYR 45 HA TYR 45 -9.273 10.406 -1.200 331 1HB TYR 45 1HB TYR 45 -11.667 10.491 -2.223 332 2HB TYR 45 2HB TYR 45 -11.285 11.804 -1.127 333 HD1 TYR 45 1HD TYR 45 -11.639 14.010 -1.809 334 HD2 TYR 45 2HD TYR 45 -11.213 10.959 -4.778 335 HE1 TYR 45 1HE TYR 45 -12.223 15.688 -3.627 336 HE2 TYR 45 2HE TYR 45 -11.799 12.648 -6.587 337 HH TYR 45 HH TYR 45 -11.874 14.894 -6.992 338 H VAL 46 H VAL 46 -9.634 8.359 -2.221 339 HA VAL 46 HA VAL 46 -8.632 8.323 -4.966 340 HB VAL 46 HB VAL 46 -8.794 6.243 -2.782 341 1HG1 VAL 46 1HG1 VAL 46 -7.864 4.624 -4.248 342 2HG1 VAL 46 2HG1 VAL 46 -9.234 5.346 -5.126 343 3HG1 VAL 46 3HG1 VAL 46 -7.568 5.832 -5.521 344 1HG2 VAL 46 1HG2 VAL 46 -6.953 7.565 -2.283 345 2HG2 VAL 46 2HG2 VAL 46 -6.228 6.296 -3.300 346 3HG2 VAL 46 3HG2 VAL 46 -6.590 7.894 -3.995 347 H GLU 47 H GLU 47 -9.762 7.267 -6.646 348 HA GLU 47 HA GLU 47 -12.494 6.545 -5.919 349 1HB GLU 47 1HB GLU 47 -11.565 7.960 -8.458 350 2HB GLU 47 2HB GLU 47 -13.208 7.442 -8.139 351 1HG GLU 47 1HG GLU 47 -12.183 9.011 -5.891 352 2HG GLU 47 2HG GLU 47 -12.008 9.906 -7.388 353 H GLY 48 H GLY 48 -13.384 4.694 -6.948 354 1HA GLY 48 1HA GLY 48 -13.218 3.149 -8.829 355 2HA GLY 48 2HA GLY 48 -11.478 3.175 -8.628 356 H LEU 49 H LEU 49 -11.877 3.316 -5.557 357 HA LEU 49 HA LEU 49 -11.375 0.749 -4.917 358 1HB LEU 49 1HB LEU 49 -12.698 2.968 -3.383 359 2HB LEU 49 2HB LEU 49 -12.423 1.401 -2.648 360 HG LEU 49 HG LEU 49 -10.137 2.858 -3.948 361 1HD1 LEU 49 1HD1 LEU 49 -11.658 4.086 -1.991 362 2HD1 LEU 49 2HD1 LEU 49 -10.338 3.323 -1.072 363 3HD1 LEU 49 3HD1 LEU 49 -9.964 4.451 -2.398 364 1HD2 LEU 49 1HD2 LEU 49 -9.788 0.541 -3.277 365 2HD2 LEU 49 2HD2 LEU 49 -8.819 1.645 -2.272 366 3HD2 LEU 49 3HD2 LEU 49 -10.310 0.925 -1.619 367 HA PRO 50 HA PRO 50 -15.039 -1.490 -5.336 368 1HB PRO 50 1HB PRO 50 -14.672 -3.520 -3.543 369 2HB PRO 50 2HB PRO 50 -13.930 -3.498 -5.130 370 1HG PRO 50 1HG PRO 50 -12.691 -2.976 -2.498 371 2HG PRO 50 2HG PRO 50 -11.913 -3.374 -4.017 372 1HD PRO 50 1HD PRO 50 -12.064 -0.784 -2.794 373 2HD PRO 50 2HD PRO 50 -11.389 -1.163 -4.366 374 H GLU 51 H GLU 51 -17.152 -1.918 -4.591 375 HA GLU 51 HA GLU 51 -18.019 -0.044 -2.804 376 1HB GLU 51 1HB GLU 51 -19.339 -1.473 -4.515 377 2HB GLU 51 2HB GLU 51 -19.423 -2.702 -3.269 378 1HG GLU 51 1HG GLU 51 -20.670 -1.274 -1.786 379 2HG GLU 51 2HG GLU 51 -20.285 0.163 -2.712 380 H GLY 52 H GLY 52 -18.479 -0.010 -0.572 381 1HA GLY 52 1HA GLY 52 -18.442 -0.665 1.585 382 2HA GLY 52 2HA GLY 52 -18.363 -2.335 1.060 383 H VAL 53 H VAL 53 -15.915 -0.466 -0.467 384 HA VAL 53 HA VAL 53 -14.001 -1.132 1.656 385 HB VAL 53 HB VAL 53 -13.635 -1.567 -1.315 386 1HG1 VAL 53 1HG1 VAL 53 -11.630 -2.950 -0.127 387 2HG1 VAL 53 2HG1 VAL 53 -11.469 -1.277 -0.713 388 3HG1 VAL 53 3HG1 VAL 53 -11.791 -1.589 1.009 389 1HG2 VAL 53 1HG2 VAL 53 -15.111 -3.155 0.343 390 2HG2 VAL 53 2HG2 VAL 53 -14.225 -3.735 -1.088 391 3HG2 VAL 53 3HG2 VAL 53 -13.493 -3.874 0.529 392 HA PRO 54 HA PRO 54 -13.452 3.170 0.713 393 1HB PRO 54 1HB PRO 54 -12.642 3.928 3.211 394 2HB PRO 54 2HB PRO 54 -14.321 3.927 2.706 395 1HG PRO 54 1HG PRO 54 -12.917 2.021 4.478 396 2HG PRO 54 2HG PRO 54 -14.640 2.292 4.301 397 1HD PRO 54 1HD PRO 54 -13.127 0.105 3.226 398 2HD PRO 54 2HD PRO 54 -14.826 0.438 2.954 399 H PHE 55 H PHE 55 -11.478 4.752 1.576 400 HA PHE 55 HA PHE 55 -9.188 3.251 0.569 401 1HB PHE 55 1HB PHE 55 -9.896 5.392 -0.539 402 2HB PHE 55 2HB PHE 55 -9.840 6.227 1.001 403 HD1 PHE 55 1HD PHE 55 -8.207 7.859 0.668 404 HD2 PHE 55 2HD PHE 55 -7.354 3.843 -0.404 405 HE1 PHE 55 1HE PHE 55 -5.812 8.480 0.244 406 HE2 PHE 55 2HE PHE 55 -4.960 4.464 -0.829 407 HZ PHE 55 HZ PHE 55 -4.217 6.776 -0.500 408 H ARG 56 H ARG 56 -10.091 2.793 3.311 409 HA ARG 56 HA ARG 56 -8.553 4.387 5.030 410 1HB ARG 56 1HB ARG 56 -10.175 1.860 5.247 411 2HB ARG 56 2HB ARG 56 -9.005 2.148 6.519 412 1HG ARG 56 1HG ARG 56 -10.635 4.534 5.800 413 2HG ARG 56 2HG ARG 56 -11.565 3.203 6.459 414 1HD ARG 56 1HD ARG 56 -9.433 3.225 8.205 415 2HD ARG 56 2HD ARG 56 -9.515 4.925 7.789 416 HE ARG 56 HE ARG 56 -11.372 3.508 9.461 417 1HH1 ARG 56 2HH2 ARG 56 -11.293 5.989 6.968 418 2HH1 ARG 56 1HH2 ARG 56 -12.739 6.769 7.518 419 1HH2 ARG 56 2HH1 ARG 56 -13.280 4.536 10.188 420 2HH2 ARG 56 1HH1 ARG 56 -13.877 5.936 9.362 421 H ARG 57 H ARG 57 -7.042 2.920 6.706 422 HA ARG 57 HA ARG 57 -4.768 2.406 5.254 423 1HB ARG 57 1HB ARG 57 -5.615 1.615 8.078 424 2HB ARG 57 2HB ARG 57 -4.009 1.268 7.468 425 1HG ARG 57 1HG ARG 57 -3.383 3.370 8.039 426 2HG ARG 57 2HG ARG 57 -4.467 3.992 6.810 427 1HD ARG 57 1HD ARG 57 -6.163 3.321 8.983 428 2HD ARG 57 2HD ARG 57 -4.754 4.048 9.730 429 HE ARG 57 HE ARG 57 -5.251 5.806 7.691 430 1HH1 ARG 57 2HH2 ARG 57 -7.358 4.379 10.122 431 2HH1 ARG 57 1HH2 ARG 57 -8.438 5.732 10.164 432 1HH2 ARG 57 2HH1 ARG 57 -6.676 7.591 7.746 433 2HH2 ARG 57 1HH1 ARG 57 -8.048 7.571 8.803 434 HA PRO 58 HA PRO 58 -5.351 -1.748 4.045 435 1HB PRO 58 1HB PRO 58 -2.777 -2.487 3.502 436 2HB PRO 58 2HB PRO 58 -3.765 -1.566 2.386 437 1HG PRO 58 1HG PRO 58 -1.539 -0.634 4.092 438 2HG PRO 58 2HG PRO 58 -2.245 0.142 2.689 439 1HD PRO 58 1HD PRO 58 -2.676 0.844 5.436 440 2HD PRO 58 2HD PRO 58 -3.470 1.543 4.039 441 H SER 59 H SER 59 -3.578 -0.908 6.796 442 HA SER 59 HA SER 59 -3.322 -3.680 7.552 443 1HB SER 59 1HB SER 59 -1.442 -2.098 7.972 444 2HB SER 59 2HB SER 59 -2.481 -1.127 8.996 445 HG SER 59 HG SER 59 -2.141 -2.475 10.623 446 H THR 60 H THR 60 -5.969 -3.218 7.267 447 HA THR 60 HA THR 60 -6.940 -3.438 9.958 448 HB THR 60 HB THR 60 -7.043 -0.878 8.512 449 HG1 THR 60 1HG THR 60 -6.622 -0.742 10.698 450 1HG2 THR 60 1HG2 THR 60 -9.395 -0.356 9.077 451 2HG2 THR 60 2HG2 THR 60 -9.357 -1.699 7.910 452 3HG2 THR 60 3HG2 THR 60 -9.652 -2.026 9.635 453 H PHE 61 H PHE 61 -7.726 -3.035 6.458 454 HA PHE 61 HA PHE 61 -10.203 -4.162 6.452 455 1HB PHE 61 1HB PHE 61 -7.809 -4.442 4.540 456 2HB PHE 61 2HB PHE 61 -9.437 -4.906 4.086 457 HD1 PHE 61 1HD PHE 61 -7.275 -2.589 3.260 458 HD2 PHE 61 2HD PHE 61 -11.064 -2.729 5.164 459 HE1 PHE 61 1HE PHE 61 -7.737 -0.238 2.513 460 HE2 PHE 61 2HE PHE 61 -11.527 -0.378 4.417 461 HZ PHE 61 HZ PHE 61 -9.857 0.840 3.100 462 H GLY 62 H GLY 62 -10.672 -6.414 5.278 463 1HA GLY 62 1HA GLY 62 -9.633 -8.432 7.077 464 2HA GLY 62 2HA GLY 62 -10.920 -8.601 5.899 465 H ILE 63 H ILE 63 -9.430 -10.726 5.785 466 HA ILE 63 HA ILE 63 -7.016 -10.468 4.331 467 HB ILE 63 HB ILE 63 -8.830 -12.746 5.069 468 1HG1 ILE 63 1HG1 ILE 63 -5.946 -12.576 5.810 469 2HG1 ILE 63 2HG1 ILE 63 -7.034 -11.433 6.571 470 1HG2 ILE 63 1HG2 ILE 63 -8.072 -13.956 3.366 471 2HG2 ILE 63 2HG2 ILE 63 -6.925 -12.685 2.880 472 3HG2 ILE 63 3HG2 ILE 63 -6.462 -13.875 4.121 473 1HD1 ILE 63 1HD1 ILE 63 -7.583 -14.431 6.481 474 2HD1 ILE 63 2HD1 ILE 63 -6.739 -13.628 7.826 475 3HD1 ILE 63 3HD1 ILE 63 -8.429 -13.207 7.458 476 HA PRO 64 HA PRO 64 -9.912 -11.467 0.718 477 1HB PRO 64 1HB PRO 64 -12.602 -11.096 1.021 478 2HB PRO 64 2HB PRO 64 -11.825 -12.657 1.191 479 1HG PRO 64 1HG PRO 64 -12.870 -10.868 3.299 480 2HG PRO 64 2HG PRO 64 -12.488 -12.575 3.399 481 1HD PRO 64 1HD PRO 64 -10.915 -10.402 4.415 482 2HD PRO 64 2HD PRO 64 -10.480 -12.100 4.411 483 H ARG 65 H ARG 65 -11.458 -8.933 2.636 484 HA ARG 65 HA ARG 65 -12.079 -7.263 0.644 485 1HB ARG 65 1HB ARG 65 -11.486 -7.028 3.513 486 2HB ARG 65 2HB ARG 65 -11.028 -5.564 2.665 487 1HG ARG 65 1HG ARG 65 -13.409 -5.820 1.508 488 2HG ARG 65 2HG ARG 65 -13.764 -6.846 2.884 489 1HD ARG 65 1HD ARG 65 -12.438 -4.394 3.774 490 2HD ARG 65 2HD ARG 65 -13.839 -4.002 2.797 491 HE ARG 65 HE ARG 65 -14.389 -6.096 4.763 492 1HH1 ARG 65 2HH2 ARG 65 -14.210 -2.618 4.256 493 2HH1 ARG 65 1HH2 ARG 65 -15.283 -2.244 5.563 494 1HH2 ARG 65 2HH1 ARG 65 -15.805 -5.602 6.488 495 2HH2 ARG 65 1HH1 ARG 65 -16.196 -3.952 6.841 496 H LEU 66 H LEU 66 -8.856 -7.800 2.148 497 HA LEU 66 HA LEU 66 -7.518 -5.643 1.040 498 1HB LEU 66 1HB LEU 66 -6.725 -8.353 2.032 499 2HB LEU 66 2HB LEU 66 -5.536 -7.352 1.221 500 HG LEU 66 HG LEU 66 -7.136 -6.349 3.581 501 1HD1 LEU 66 1HD1 LEU 66 -5.550 -8.527 3.808 502 2HD1 LEU 66 2HD1 LEU 66 -4.352 -7.233 4.051 503 3HD1 LEU 66 3HD1 LEU 66 -5.788 -7.325 5.099 504 1HD2 LEU 66 1HD2 LEU 66 -5.529 -4.635 3.747 505 2HD2 LEU 66 2HD2 LEU 66 -4.408 -5.459 2.636 506 3HD2 LEU 66 3HD2 LEU 66 -5.920 -4.754 2.014 507 H GLU 67 H GLU 67 -7.749 -9.053 -0.203 508 HA GLU 67 HA GLU 67 -6.385 -8.654 -2.509 509 1HB GLU 67 1HB GLU 67 -8.619 -10.514 -1.702 510 2HB GLU 67 2HB GLU 67 -8.104 -10.505 -3.377 511 1HG GLU 67 1HG GLU 67 -5.669 -10.559 -2.026 512 2HG GLU 67 2HG GLU 67 -6.689 -11.521 -0.975 513 H LYS 68 H LYS 68 -9.862 -8.007 -1.806 514 HA LYS 68 HA LYS 68 -10.749 -7.481 -4.341 515 1HB LYS 68 1HB LYS 68 -11.558 -5.963 -1.847 516 2HB LYS 68 2HB LYS 68 -12.514 -6.215 -3.293 517 1HG LYS 68 1HG LYS 68 -11.979 -8.812 -2.712 518 2HG LYS 68 2HG LYS 68 -11.845 -8.153 -1.094 519 1HD LYS 68 1HD LYS 68 -14.109 -8.290 -0.969 520 2HD LYS 68 2HD LYS 68 -14.169 -6.931 -2.073 521 1HE LYS 68 1HE LYS 68 -14.089 -8.567 -4.012 522 2HE LYS 68 2HE LYS 68 -14.169 -9.884 -2.859 523 1HZ LYS 68 1HZ LYS 68 -16.220 -7.996 -3.609 524 2HZ LYS 68 2HZ LYS 68 -16.347 -9.585 -3.254 525 3HZ LYS 68 3HZ LYS 68 -16.217 -8.487 -2.052 526 H ILE 69 H ILE 69 -9.487 -5.018 -1.977 527 HA ILE 69 HA ILE 69 -9.489 -2.843 -3.544 528 HB ILE 69 HB ILE 69 -7.638 -3.826 -1.419 529 1HG1 ILE 69 1HG1 ILE 69 -9.041 -1.220 -1.256 530 2HG1 ILE 69 2HG1 ILE 69 -10.080 -2.629 -1.348 531 1HG2 ILE 69 1HG2 ILE 69 -6.786 -1.296 -1.589 532 2HG2 ILE 69 2HG2 ILE 69 -5.965 -2.651 -2.399 533 3HG2 ILE 69 3HG2 ILE 69 -7.077 -1.608 -3.317 534 1HD1 ILE 69 1HD1 ILE 69 -9.676 -2.332 0.982 535 2HD1 ILE 69 2HD1 ILE 69 -8.585 -3.657 0.511 536 3HD1 ILE 69 3HD1 ILE 69 -7.944 -2.010 0.725 537 H LEU 70 H LEU 70 -6.988 -5.456 -3.560 538 HA LEU 70 HA LEU 70 -5.391 -4.237 -5.516 539 1HB LEU 70 1HB LEU 70 -5.626 -6.897 -4.231 540 2HB LEU 70 2HB LEU 70 -4.822 -6.855 -5.788 541 HG LEU 70 HG LEU 70 -3.950 -4.855 -3.752 542 1HD1 LEU 70 1HD1 LEU 70 -2.586 -6.371 -2.528 543 2HD1 LEU 70 2HD1 LEU 70 -4.242 -7.023 -2.511 544 3HD1 LEU 70 3HD1 LEU 70 -3.018 -7.729 -3.595 545 1HD2 LEU 70 1HD2 LEU 70 -2.456 -6.558 -5.765 546 2HD2 LEU 70 2HD2 LEU 70 -2.971 -4.870 -5.993 547 3HD2 LEU 70 3HD2 LEU 70 -1.759 -5.271 -4.752 548 H ARG 71 H ARG 71 -7.887 -6.866 -5.745 549 HA ARG 71 HA ARG 71 -7.797 -7.407 -8.322 550 1HB ARG 71 1HB ARG 71 -10.187 -7.011 -6.484 551 2HB ARG 71 2HB ARG 71 -10.440 -7.503 -8.147 552 1HG ARG 71 1HG ARG 71 -8.398 -9.221 -7.321 553 2HG ARG 71 2HG ARG 71 -9.363 -9.059 -5.867 554 1HD ARG 71 1HD ARG 71 -10.762 -10.618 -6.758 555 2HD ARG 71 2HD ARG 71 -11.302 -9.374 -7.869 556 HE ARG 71 HE ARG 71 -8.902 -10.460 -8.935 557 1HH1 ARG 71 2HH2 ARG 71 -12.193 -11.500 -8.250 558 2HH1 ARG 71 1HH2 ARG 71 -12.216 -12.688 -9.510 559 1HH2 ARG 71 2HH1 ARG 71 -8.932 -12.027 -10.599 560 2HH2 ARG 71 1HH1 ARG 71 -10.349 -12.989 -10.855 561 H ASN 72 H ASN 72 -8.891 -4.363 -6.853 562 HA ASN 72 HA ASN 72 -9.526 -3.408 -9.534 563 1HB ASN 72 1HB ASN 72 -10.688 -2.754 -6.804 564 2HB ASN 72 2HB ASN 72 -10.752 -1.541 -8.067 565 1HD2 ASN 72 1HD2 ASN 72 -13.066 -2.393 -7.104 566 2HD2 ASN 72 2HD2 ASN 72 -13.913 -3.424 -8.208 567 H LYS 73 H LYS 73 -6.887 -3.367 -9.106 568 HA LYS 73 HA LYS 73 -6.094 -1.033 -7.603 569 1HB LYS 73 1HB LYS 73 -3.858 -1.759 -8.001 570 2HB LYS 73 2HB LYS 73 -4.804 -3.173 -7.580 571 1HG LYS 73 1HG LYS 73 -5.060 -3.714 -10.020 572 2HG LYS 73 2HG LYS 73 -4.083 -2.316 -10.424 573 1HD LYS 73 1HD LYS 73 -2.138 -3.407 -9.955 574 2HD LYS 73 2HD LYS 73 -2.746 -4.001 -8.422 575 1HE LYS 73 1HE LYS 73 -2.653 -6.047 -9.462 576 2HE LYS 73 2HE LYS 73 -4.207 -5.572 -10.117 577 1HZ LYS 73 1HZ LYS 73 -1.590 -5.409 -11.405 578 2HZ LYS 73 2HZ LYS 73 -2.944 -6.148 -11.941 579 3HZ LYS 73 3HZ LYS 73 -2.845 -4.518 -11.950 580 H ALA 74 H ALA 74 -6.153 -2.164 -11.041 581 HA ALA 74 HA ALA 74 -5.082 0.189 -12.106 582 1HB ALA 74 1HB ALA 74 -5.575 -0.784 -14.169 583 2HB ALA 74 2HB ALA 74 -5.506 -2.211 -13.106 584 3HB ALA 74 3HB ALA 74 -7.081 -1.526 -13.576 585 H LYS 75 H LYS 75 -8.459 -0.865 -11.391 586 HA LYS 75 HA LYS 75 -9.713 1.324 -12.582 587 1HB LYS 75 1HB LYS 75 -10.640 -0.376 -10.247 588 2HB LYS 75 2HB LYS 75 -11.654 0.656 -11.236 589 1HG LYS 75 1HG LYS 75 -9.942 -1.446 -12.585 590 2HG LYS 75 2HG LYS 75 -11.421 -1.941 -11.785 591 1HD LYS 75 1HD LYS 75 -11.334 0.310 -13.843 592 2HD LYS 75 2HD LYS 75 -11.631 -1.361 -14.280 593 1HE LYS 75 1HE LYS 75 -13.831 -0.955 -13.864 594 2HE LYS 75 2HE LYS 75 -13.417 -0.955 -12.162 595 1HZ LYS 75 1HZ LYS 75 -14.307 1.090 -12.372 596 2HZ LYS 75 2HZ LYS 75 -12.764 1.490 -12.726 597 3HZ LYS 75 3HZ LYS 75 -13.853 1.295 -13.927 598 H ILE 76 H ILE 76 -8.480 0.773 -9.230 599 HA ILE 76 HA ILE 76 -9.423 3.040 -8.043 600 HB ILE 76 HB ILE 76 -7.038 1.298 -7.677 601 1HG1 ILE 76 1HG1 ILE 76 -9.203 2.115 -5.726 602 2HG1 ILE 76 2HG1 ILE 76 -9.395 0.794 -6.862 603 1HG2 ILE 76 1HG2 ILE 76 -7.359 4.040 -6.486 604 2HG2 ILE 76 2HG2 ILE 76 -6.564 2.736 -5.571 605 3HG2 ILE 76 3HG2 ILE 76 -5.906 3.249 -7.144 606 1HD1 ILE 76 1HD1 ILE 76 -7.285 -0.252 -5.933 607 2HD1 ILE 76 2HD1 ILE 76 -7.252 1.034 -4.703 608 3HD1 ILE 76 3HD1 ILE 76 -8.605 -0.121 -4.746 609 H LYS 77 H LYS 77 -8.654 5.191 -7.754 610 HA LYS 77 HA LYS 77 -6.410 6.035 -9.359 611 1HB LYS 77 1HB LYS 77 -8.744 6.003 -10.694 612 2HB LYS 77 2HB LYS 77 -8.910 7.561 -9.909 613 1HG LYS 77 1HG LYS 77 -7.059 8.482 -11.013 614 2HG LYS 77 2HG LYS 77 -6.264 6.933 -11.210 615 1HD LYS 77 1HD LYS 77 -7.663 6.306 -13.044 616 2HD LYS 77 2HD LYS 77 -8.875 7.509 -12.652 617 1HE LYS 77 1HE LYS 77 -7.838 8.661 -14.364 618 2HE LYS 77 2HE LYS 77 -6.794 9.190 -13.060 619 1HZ LYS 77 1HZ LYS 77 -5.507 8.355 -14.869 620 2HZ LYS 77 2HZ LYS 77 -5.323 7.345 -13.599 621 3HZ LYS 77 3HZ LYS 77 -6.281 6.917 -14.851 622 H PHE 78 H PHE 78 -5.385 7.794 -8.447 623 HA PHE 78 HA PHE 78 -6.512 8.664 -5.918 624 1HB PHE 78 1HB PHE 78 -3.855 8.614 -7.377 625 2HB PHE 78 2HB PHE 78 -4.062 9.889 -6.193 626 HD1 PHE 78 1HD PHE 78 -4.817 6.226 -6.367 627 HD2 PHE 78 2HD PHE 78 -3.140 9.428 -4.144 628 HE1 PHE 78 1HE PHE 78 -4.191 4.627 -4.536 629 HE2 PHE 78 2HE PHE 78 -2.515 7.829 -2.313 630 HZ PHE 78 HZ PHE 78 -3.048 5.448 -2.530 631 H ILE 79 H ILE 79 -7.382 10.667 -5.560 632 HA ILE 79 HA ILE 79 -7.133 12.582 -7.774 633 HB ILE 79 HB ILE 79 -9.367 12.336 -5.758 634 1HG1 ILE 79 1HG1 ILE 79 -9.502 10.364 -7.050 635 2HG1 ILE 79 2HG1 ILE 79 -10.676 11.469 -7.736 636 1HG2 ILE 79 1HG2 ILE 79 -8.685 14.278 -7.868 637 2HG2 ILE 79 2HG2 ILE 79 -10.364 13.689 -7.902 638 3HG2 ILE 79 3HG2 ILE 79 -9.717 14.449 -6.428 639 1HD1 ILE 79 1HD1 ILE 79 -8.028 10.570 -8.866 640 2HD1 ILE 79 2HD1 ILE 79 -9.608 10.716 -9.671 641 3HD1 ILE 79 3HD1 ILE 79 -8.651 12.174 -9.319 642 H ILE 80 H ILE 80 -6.326 14.607 -7.359 643 HA ILE 80 HA ILE 80 -5.980 15.339 -4.552 644 HB ILE 80 HB ILE 80 -3.748 15.594 -6.558 645 1HG1 ILE 80 1HG1 ILE 80 -4.479 13.285 -4.790 646 2HG1 ILE 80 2HG1 ILE 80 -3.866 13.285 -6.432 647 1HG2 ILE 80 1HG2 ILE 80 -2.550 16.557 -4.924 648 2HG2 ILE 80 2HG2 ILE 80 -4.138 16.892 -4.194 649 3HG2 ILE 80 3HG2 ILE 80 -3.196 15.477 -3.666 650 1HD1 ILE 80 1HD1 ILE 80 -2.377 13.499 -3.845 651 2HD1 ILE 80 2HD1 ILE 80 -1.907 12.702 -5.366 652 3HD1 ILE 80 3HD1 ILE 80 -1.751 14.467 -5.201 653 H LYS 81 H LYS 81 -6.977 17.253 -4.270 654 HA LYS 81 HA LYS 81 -7.183 18.997 -6.612 655 1HB LYS 81 1HB LYS 81 -8.816 18.937 -4.057 656 2HB LYS 81 2HB LYS 81 -9.058 20.044 -5.392 657 1HG LYS 81 1HG LYS 81 -9.761 18.312 -6.872 658 2HG LYS 81 2HG LYS 81 -9.047 17.050 -5.888 659 1HD LYS 81 1HD LYS 81 -10.963 16.807 -4.698 660 2HD LYS 81 2HD LYS 81 -10.977 18.510 -4.282 661 1HE LYS 81 1HE LYS 81 -11.755 17.941 -7.101 662 2HE LYS 81 2HE LYS 81 -12.845 17.265 -5.907 663 1HZ LYS 81 1HZ LYS 81 -13.254 19.615 -6.638 664 2HZ LYS 81 2HZ LYS 81 -13.245 19.360 -5.025 665 3HZ LYS 81 3HZ LYS 81 -11.954 20.049 -5.750 666 H LYS 82 H LYS 82 -5.255 18.468 -3.918 667 HA LYS 82 HA LYS 82 -4.362 21.234 -4.014 668 1HB LYS 82 1HB LYS 82 -5.191 19.811 -1.471 669 2HB LYS 82 2HB LYS 82 -4.184 21.245 -1.495 670 1HG LYS 82 1HG LYS 82 -6.089 22.289 -2.981 671 2HG LYS 82 2HG LYS 82 -7.072 20.963 -2.393 672 1HD LYS 82 1HD LYS 82 -6.938 21.691 -0.131 673 2HD LYS 82 2HD LYS 82 -5.513 22.667 -0.427 674 1HE LYS 82 1HE LYS 82 -7.320 23.843 -2.159 675 2HE LYS 82 2HE LYS 82 -8.387 23.327 -0.869 676 1HZ LYS 82 1HZ LYS 82 -5.955 24.568 0.006 677 2HZ LYS 82 2HZ LYS 82 -6.967 25.556 -0.811 678 3HZ LYS 82 3HZ LYS 82 -7.485 24.786 0.533 679 HA PRO 83 HA PRO 83 -1.057 18.156 -4.187 680 1HB PRO 83 1HB PRO 83 0.100 18.994 -6.517 681 2HB PRO 83 2HB PRO 83 -1.085 17.704 -6.445 682 1HG PRO 83 1HG PRO 83 -1.429 20.487 -7.382 683 2HG PRO 83 2HG PRO 83 -2.445 19.092 -7.688 684 1HD PRO 83 1HD PRO 83 -2.969 21.225 -5.843 685 2HD PRO 83 2HD PRO 83 -3.925 19.773 -6.066 686 H GLU 84 H GLU 84 -1.332 21.500 -4.056 687 HA GLU 84 HA GLU 84 1.390 22.106 -3.963 688 1HB GLU 84 1HB GLU 84 0.647 24.265 -3.017 689 2HB GLU 84 2HB GLU 84 -0.351 23.802 -4.381 690 1HG GLU 84 1HG GLU 84 -2.121 24.178 -2.993 691 2HG GLU 84 2HG GLU 84 -1.727 22.622 -2.288 692 H MET 85 H MET 85 -0.842 20.662 -1.670 693 HA MET 85 HA MET 85 0.826 21.319 0.573 694 1HB MET 85 1HB MET 85 -1.749 19.726 0.154 695 2HB MET 85 2HB MET 85 -0.931 19.709 1.704 696 1HG MET 85 1HG MET 85 -1.204 22.103 1.984 697 2HG MET 85 2HG MET 85 -1.692 22.315 0.314 698 1HE MET 85 1HE MET 85 -2.441 19.712 3.013 699 2HE MET 85 2HE MET 85 -2.915 21.157 3.938 700 3HE MET 85 3HE MET 85 -4.150 19.980 3.430 701 H PHE 86 H PHE 86 0.256 18.649 -1.694 702 HA PHE 86 HA PHE 86 1.375 16.601 -0.148 703 1HB PHE 86 1HB PHE 86 0.601 17.237 -2.969 704 2HB PHE 86 2HB PHE 86 1.893 16.057 -2.866 705 HD1 PHE 86 1HD PHE 86 1.266 13.846 -2.836 706 HD2 PHE 86 2HD PHE 86 -1.400 16.726 -1.221 707 HE1 PHE 86 1HE PHE 86 -0.420 12.039 -2.395 708 HE2 PHE 86 2HE PHE 86 -3.086 14.919 -0.781 709 HZ PHE 86 HZ PHE 86 -2.576 12.597 -1.373 710 H GLU 87 H GLU 87 2.776 19.097 -2.302 711 HA GLU 87 HA GLU 87 5.170 18.120 -2.890 712 1HB GLU 87 1HB GLU 87 4.035 20.768 -2.465 713 2HB GLU 87 2HB GLU 87 5.715 20.756 -1.966 714 1HG GLU 87 1HG GLU 87 6.094 19.460 -4.260 715 2HG GLU 87 2HG GLU 87 4.547 20.159 -4.696 716 H THR 88 H THR 88 4.361 19.757 0.255 717 HA THR 88 HA THR 88 6.779 19.577 1.495 718 HB THR 88 HB THR 88 3.994 19.106 2.685 719 HG1 THR 88 1HG THR 88 3.887 21.353 2.469 720 1HG2 THR 88 1HG2 THR 88 4.939 20.201 4.687 721 2HG2 THR 88 2HG2 THR 88 5.914 18.762 4.303 722 3HG2 THR 88 3HG2 THR 88 6.513 20.382 3.875 723 H ALA 89 H ALA 89 4.269 16.983 1.294 724 HA ALA 89 HA ALA 89 5.638 15.143 2.860 725 1HB ALA 89 1HB ALA 89 4.041 13.607 2.076 726 2HB ALA 89 2HB ALA 89 3.213 15.173 1.900 727 3HB ALA 89 3HB ALA 89 3.936 14.384 0.478 728 H ILE 90 H ILE 90 5.515 15.417 -0.768 729 HA ILE 90 HA ILE 90 7.313 13.455 -1.350 730 HB ILE 90 HB ILE 90 6.883 16.104 -2.735 731 1HG1 ILE 90 1HG1 ILE 90 5.676 13.718 -3.911 732 2HG1 ILE 90 2HG1 ILE 90 5.085 14.021 -2.289 733 1HG2 ILE 90 1HG2 ILE 90 8.880 14.207 -3.232 734 2HG2 ILE 90 2HG2 ILE 90 7.623 13.895 -4.454 735 3HG2 ILE 90 3HG2 ILE 90 8.338 15.519 -4.307 736 1HD1 ILE 90 1HD1 ILE 90 4.020 15.967 -2.889 737 2HD1 ILE 90 2HD1 ILE 90 5.310 16.443 -4.019 738 3HD1 ILE 90 3HD1 ILE 90 4.087 15.250 -4.517 739 H LYS 91 H LYS 91 7.959 16.876 -0.404 740 HA LYS 91 HA LYS 91 10.683 16.871 -0.822 741 1HB LYS 91 1HB LYS 91 8.750 18.426 0.802 742 2HB LYS 91 2HB LYS 91 10.420 18.516 1.324 743 1HG LYS 91 1HG LYS 91 10.907 19.925 -0.381 744 2HG LYS 91 2HG LYS 91 10.407 18.718 -1.549 745 1HD LYS 91 1HD LYS 91 8.193 19.547 -1.670 746 2HD LYS 91 2HD LYS 91 8.289 20.327 -0.103 747 1HE LYS 91 1HE LYS 91 8.393 22.086 -1.756 748 2HE LYS 91 2HE LYS 91 10.004 21.937 -1.084 749 1HZ LYS 91 1HZ LYS 91 10.780 20.996 -2.981 750 2HZ LYS 91 2HZ LYS 91 9.345 20.362 -3.432 751 3HZ LYS 91 3HZ LYS 91 9.629 21.958 -3.625 752 H GLU 92 H GLU 92 9.025 16.357 2.376 753 HA GLU 92 HA GLU 92 11.427 15.092 3.304 754 1HB GLU 92 1HB GLU 92 8.781 15.676 4.704 755 2HB GLU 92 2HB GLU 92 10.197 15.014 5.496 756 1HG GLU 92 1HG GLU 92 10.695 17.492 3.908 757 2HG GLU 92 2HG GLU 92 9.645 17.707 5.295 758 H SER 93 H SER 93 10.390 13.617 1.195 759 HA SER 93 HA SER 93 9.434 11.279 2.634 760 1HB SER 93 1HB SER 93 8.245 12.573 0.181 761 2HB SER 93 2HB SER 93 8.181 10.826 0.314 762 HG SER 93 HG SER 93 7.432 11.877 2.713 763 H SER 94 H SER 94 10.303 9.279 1.870 764 HA SER 94 HA SER 94 11.701 7.944 0.883 765 1HB SER 94 1HB SER 94 10.635 9.406 -1.240 766 2HB SER 94 2HB SER 94 12.361 9.562 -1.504 767 HG SER 94 HG SER 94 11.086 7.590 -2.395 768 H GLY 95 H GLY 95 14.010 7.571 0.735 769 1HA GLY 95 1HA GLY 95 15.651 9.981 1.241 770 2HA GLY 95 2HA GLY 95 15.834 8.494 2.150 771 HA PRO 96 HA PRO 96 17.519 7.977 -2.281 772 1HB PRO 96 1HB PRO 96 18.522 10.244 -3.433 773 2HB PRO 96 2HB PRO 96 16.931 9.606 -3.800 774 1HG PRO 96 1HG PRO 96 17.652 11.945 -2.142 775 2HG PRO 96 2HG PRO 96 16.105 11.544 -2.862 776 1HD PRO 96 1HD PRO 96 16.847 11.239 -0.108 777 2HD PRO 96 2HD PRO 96 15.343 10.732 -0.851 778 H SER 97 H SER 97 18.751 7.090 -0.350 779 HA SER 97 HA SER 97 21.158 8.523 0.145 780 1HB SER 97 1HB SER 97 21.700 6.627 1.634 781 2HB SER 97 2HB SER 97 20.074 7.209 1.928 782 HG SER 97 HG SER 97 19.196 5.421 0.890 783 H SER 98 H SER 98 23.174 8.183 -0.798 784 HA SER 98 HA SER 98 23.472 5.793 -2.406 785 1HB SER 98 1HB SER 98 22.717 7.901 -3.774 786 2HB SER 98 2HB SER 98 24.350 8.479 -3.510 787 HG SER 98 HG SER 98 23.726 7.041 -5.508 788 H GLY 99 H GLY 99 25.170 4.839 -1.314 789 1HA GLY 99 1HA GLY 99 27.625 4.938 -1.312 790 2HA GLY 99 2HA GLY 99 27.489 6.567 -0.681 Start of MODEL 16 1 1H GLY 1 H GLY 1 -2.437 -4.929 14.826 2 1HA GLY 1 1HA GLY 1 -0.396 -6.436 15.164 3 2HA GLY 1 2HA GLY 1 -1.473 -7.353 16.199 4 H SER 2 H SER 2 -1.391 -9.229 14.836 5 HA SER 2 HA SER 2 -1.743 -9.231 12.140 6 1HB SER 2 1HB SER 2 -1.558 -11.140 14.205 7 2HB SER 2 2HB SER 2 -3.082 -11.507 13.422 8 HG SER 2 HG SER 2 -1.453 -11.096 11.391 9 H SER 3 H SER 3 -3.472 -8.890 10.765 10 HA SER 3 HA SER 3 -6.093 -8.804 12.043 11 1HB SER 3 1HB SER 3 -4.721 -6.856 10.232 12 2HB SER 3 2HB SER 3 -6.423 -7.127 9.915 13 HG SER 3 HG SER 3 -5.182 -6.132 12.316 14 H GLY 4 H GLY 4 -4.636 -8.750 8.699 15 1HA GLY 4 1HA GLY 4 -5.888 -11.283 8.057 16 2HA GLY 4 2HA GLY 4 -6.584 -9.894 7.246 17 H SER 5 H SER 5 -4.192 -12.285 7.061 18 HA SER 5 HA SER 5 -2.506 -12.659 5.748 19 1HB SER 5 1HB SER 5 -4.205 -11.949 4.005 20 2HB SER 5 2HB SER 5 -3.516 -10.339 4.045 21 HG SER 5 HG SER 5 -1.556 -11.121 3.217 22 H SER 6 H SER 6 -0.352 -11.763 4.884 23 HA SER 6 HA SER 6 0.305 -9.351 6.388 24 1HB SER 6 1HB SER 6 1.298 -11.639 7.135 25 2HB SER 6 2HB SER 6 2.285 -11.548 5.690 26 HG SER 6 HG SER 6 3.448 -10.643 7.441 27 H GLY 7 H GLY 7 0.819 -11.328 3.427 28 1HA GLY 7 1HA GLY 7 2.636 -9.580 2.151 29 2HA GLY 7 2HA GLY 7 1.654 -10.822 1.400 30 H LEU 8 H LEU 8 -0.923 -10.140 1.600 31 HA LEU 8 HA LEU 8 -1.399 -8.288 -0.279 32 1HB LEU 8 1HB LEU 8 -3.080 -9.012 2.122 33 2HB LEU 8 2HB LEU 8 -3.667 -8.049 0.781 34 HG LEU 8 HG LEU 8 -2.624 -10.886 0.548 35 1HD1 LEU 8 1HD1 LEU 8 -5.282 -9.799 1.214 36 2HD1 LEU 8 2HD1 LEU 8 -5.270 -11.015 -0.086 37 3HD1 LEU 8 3HD1 LEU 8 -4.584 -11.409 1.508 38 1HD2 LEU 8 1HD2 LEU 8 -3.566 -10.829 -1.714 39 2HD2 LEU 8 2HD2 LEU 8 -4.011 -9.120 -1.489 40 3HD2 LEU 8 3HD2 LEU 8 -2.297 -9.599 -1.499 41 H LYS 9 H LYS 9 -1.178 -7.663 3.281 42 HA LYS 9 HA LYS 9 -1.798 -5.006 3.275 43 1HB LYS 9 1HB LYS 9 -0.396 -6.881 5.018 44 2HB LYS 9 2HB LYS 9 0.254 -5.260 5.150 45 1HG LYS 9 1HG LYS 9 -2.002 -4.344 5.578 46 2HG LYS 9 2HG LYS 9 -2.725 -5.918 5.316 47 1HD LYS 9 1HD LYS 9 -0.757 -6.423 7.260 48 2HD LYS 9 2HD LYS 9 -1.383 -4.852 7.717 49 1HE LYS 9 1HE LYS 9 -3.496 -5.674 8.214 50 2HE LYS 9 2HE LYS 9 -3.438 -6.898 6.961 51 1HZ LYS 9 1HZ LYS 9 -1.474 -7.437 8.869 52 2HZ LYS 9 2HZ LYS 9 -2.899 -7.220 9.637 53 3HZ LYS 9 3HZ LYS 9 -2.769 -8.343 8.458 54 H GLN 10 H GLN 10 1.577 -6.356 3.090 55 HA GLN 10 HA GLN 10 2.763 -3.953 2.541 56 1HB GLN 10 1HB GLN 10 3.643 -6.499 2.958 57 2HB GLN 10 2HB GLN 10 3.920 -6.383 1.231 58 1HG GLN 10 1HG GLN 10 4.874 -3.925 2.182 59 2HG GLN 10 2HG GLN 10 5.335 -5.041 3.453 60 1HE2 GLN 10 1HE2 GLN 10 5.666 -4.165 0.102 61 2HE2 GLN 10 2HE2 GLN 10 7.049 -5.135 -0.280 62 H LYS 11 H LYS 11 1.168 -6.314 0.365 63 HA LYS 11 HA LYS 11 2.081 -5.220 -2.043 64 1HB LYS 11 1HB LYS 11 -0.321 -6.897 -1.296 65 2HB LYS 11 2HB LYS 11 -0.014 -6.392 -2.945 66 1HG LYS 11 1HG LYS 11 1.852 -7.754 -3.173 67 2HG LYS 11 2HG LYS 11 2.319 -7.586 -1.492 68 1HD LYS 11 1HD LYS 11 1.154 -9.446 -0.863 69 2HD LYS 11 2HD LYS 11 -0.266 -8.972 -1.774 70 1HE LYS 11 1HE LYS 11 0.620 -11.059 -2.707 71 2HE LYS 11 2HE LYS 11 0.825 -9.777 -3.885 72 1HZ LYS 11 1HZ LYS 11 2.776 -11.374 -2.990 73 2HZ LYS 11 2HZ LYS 11 3.016 -9.940 -3.732 74 3HZ LYS 11 3HZ LYS 11 3.031 -10.027 -2.102 75 H VAL 12 H VAL 12 -1.143 -4.813 -0.404 76 HA VAL 12 HA VAL 12 -2.028 -2.800 -2.083 77 HB VAL 12 HB VAL 12 -2.657 -3.354 0.823 78 1HG1 VAL 12 1HG1 VAL 12 -3.660 -1.314 0.613 79 2HG1 VAL 12 2HG1 VAL 12 -3.794 -1.435 -1.158 80 3HG1 VAL 12 3HG1 VAL 12 -4.940 -2.312 -0.116 81 1HG2 VAL 12 1HG2 VAL 12 -4.725 -4.432 -0.328 82 2HG2 VAL 12 2HG2 VAL 12 -3.695 -4.467 -1.779 83 3HG2 VAL 12 3HG2 VAL 12 -3.186 -5.326 -0.306 84 H GLU 13 H GLU 13 0.190 -2.747 0.699 85 HA GLU 13 HA GLU 13 0.050 -0.065 1.273 86 1HB GLU 13 1HB GLU 13 2.036 -2.262 1.677 87 2HB GLU 13 2HB GLU 13 2.668 -0.634 1.821 88 1HG GLU 13 1HG GLU 13 0.208 -1.659 3.315 89 2HG GLU 13 2HG GLU 13 1.819 -1.585 4.002 90 H ASN 14 H ASN 14 2.159 -1.846 -1.075 91 HA ASN 14 HA ASN 14 3.535 0.433 -1.890 92 1HB ASN 14 1HB ASN 14 3.305 -2.399 -2.683 93 2HB ASN 14 2HB ASN 14 3.494 -1.365 -4.085 94 1HD2 ASN 14 1HD2 ASN 14 5.066 -3.062 -1.731 95 2HD2 ASN 14 2HD2 ASN 14 6.628 -2.314 -1.769 96 H LEU 15 H LEU 15 0.538 -1.255 -2.957 97 HA LEU 15 HA LEU 15 0.094 -0.143 -5.393 98 1HB LEU 15 1HB LEU 15 -1.465 -1.684 -4.882 99 2HB LEU 15 2HB LEU 15 -1.572 -1.203 -3.200 100 HG LEU 15 HG LEU 15 -2.930 0.769 -3.868 101 1HD1 LEU 15 1HD1 LEU 15 -3.875 0.882 -6.133 102 2HD1 LEU 15 2HD1 LEU 15 -2.105 1.074 -6.137 103 3HD1 LEU 15 3HD1 LEU 15 -2.833 -0.473 -6.631 104 1HD2 LEU 15 1HD2 LEU 15 -4.102 -1.841 -4.860 105 2HD2 LEU 15 2HD2 LEU 15 -3.938 -1.392 -3.146 106 3HD2 LEU 15 3HD2 LEU 15 -4.979 -0.430 -4.222 107 H PHE 16 H PHE 16 -1.339 1.211 -2.336 108 HA PHE 16 HA PHE 16 -2.181 3.572 -3.381 109 1HB PHE 16 1HB PHE 16 -0.856 2.976 -0.666 110 2HB PHE 16 2HB PHE 16 -1.894 4.355 -0.968 111 HD1 PHE 16 1HD PHE 16 -3.850 2.689 -2.768 112 HD2 PHE 16 2HD PHE 16 -2.239 2.127 1.117 113 HE1 PHE 16 1HE PHE 16 -5.855 1.319 -2.135 114 HE2 PHE 16 2HE PHE 16 -4.244 0.756 1.750 115 HZ PHE 16 HZ PHE 16 -6.028 0.369 0.117 116 H ASN 17 H ASN 17 0.966 3.089 -1.609 117 HA ASN 17 HA ASN 17 2.006 5.507 -1.859 118 1HB ASN 17 1HB ASN 17 3.258 2.752 -2.108 119 2HB ASN 17 2HB ASN 17 4.278 4.162 -2.312 120 1HD2 ASN 17 1HD2 ASN 17 4.977 5.258 -0.603 121 2HD2 ASN 17 2HD2 ASN 17 4.530 4.971 1.046 122 H GLU 18 H GLU 18 2.468 2.822 -4.294 123 HA GLU 18 HA GLU 18 3.807 4.255 -6.166 124 1HB GLU 18 1HB GLU 18 2.252 1.760 -6.074 125 2HB GLU 18 2HB GLU 18 2.184 2.512 -7.655 126 1HG GLU 18 1HG GLU 18 4.906 2.636 -6.593 127 2HG GLU 18 2HG GLU 18 4.322 0.984 -6.569 128 H LYS 19 H LYS 19 0.239 3.520 -6.294 129 HA LYS 19 HA LYS 19 -0.447 5.084 -8.377 130 1HB LYS 19 1HB LYS 19 -1.988 4.629 -5.805 131 2HB LYS 19 2HB LYS 19 -2.681 5.278 -7.278 132 1HG LYS 19 1HG LYS 19 -1.219 2.601 -7.186 133 2HG LYS 19 2HG LYS 19 -2.947 2.745 -6.928 134 1HD LYS 19 1HD LYS 19 -1.862 4.105 -9.372 135 2HD LYS 19 2HD LYS 19 -1.826 2.353 -9.387 136 1HE LYS 19 1HE LYS 19 -4.020 2.379 -9.970 137 2HE LYS 19 2HE LYS 19 -4.388 2.984 -8.367 138 1HZ LYS 19 1HZ LYS 19 -5.042 4.336 -10.429 139 2HZ LYS 19 2HZ LYS 19 -4.461 5.120 -9.120 140 3HZ LYS 19 3HZ LYS 19 -3.494 4.854 -10.409 141 H CYS 20 H CYS 20 -0.033 6.151 -4.943 142 HA CYS 20 HA CYS 20 -0.845 8.695 -5.089 143 1HB CYS 20 1HB CYS 20 0.800 7.187 -3.360 144 2HB CYS 20 2HB CYS 20 1.710 8.641 -3.721 145 HG CYS 20 HG CYS 20 0.557 10.025 -2.197 146 H GLY 21 H GLY 21 2.620 7.708 -5.659 147 1HA GLY 21 1HA GLY 21 3.560 10.059 -6.699 148 2HA GLY 21 2HA GLY 21 4.159 8.466 -7.116 149 H GLU 22 H GLU 22 1.662 7.467 -8.326 150 HA GLU 22 HA GLU 22 2.111 8.331 -10.911 151 1HB GLU 22 1HB GLU 22 0.559 6.340 -9.589 152 2HB GLU 22 2HB GLU 22 -0.562 7.228 -10.602 153 1HG GLU 22 1HG GLU 22 1.298 6.978 -12.462 154 2HG GLU 22 2HG GLU 22 1.929 5.708 -11.432 155 H ALA 23 H ALA 23 -0.441 9.196 -8.503 156 HA ALA 23 HA ALA 23 -2.052 10.724 -10.122 157 1HB ALA 23 1HB ALA 23 -2.568 11.931 -7.930 158 2HB ALA 23 2HB ALA 23 -2.739 10.160 -7.903 159 3HB ALA 23 3HB ALA 23 -1.302 10.926 -7.186 160 H LEU 24 H LEU 24 0.857 11.737 -8.200 161 HA LEU 24 HA LEU 24 0.764 14.405 -9.054 162 1HB LEU 24 1HB LEU 24 2.945 12.665 -7.914 163 2HB LEU 24 2HB LEU 24 3.197 14.354 -8.308 164 HG LEU 24 HG LEU 24 2.742 14.023 -5.926 165 1HD1 LEU 24 1HD1 LEU 24 1.779 16.026 -5.833 166 2HD1 LEU 24 2HD1 LEU 24 1.595 15.925 -7.601 167 3HD1 LEU 24 3HD1 LEU 24 0.262 15.414 -6.537 168 1HD2 LEU 24 1HD2 LEU 24 1.304 12.010 -6.183 169 2HD2 LEU 24 2HD2 LEU 24 0.631 13.239 -5.086 170 3HD2 LEU 24 3HD2 LEU 24 -0.016 13.068 -6.735 171 H GLY 25 H GLY 25 1.730 11.436 -10.625 172 1HA GLY 25 1HA GLY 25 2.035 11.309 -12.930 173 2HA GLY 25 2HA GLY 25 2.520 12.992 -12.978 174 H LEU 26 H LEU 26 3.726 10.550 -10.626 175 HA LEU 26 HA LEU 26 6.391 10.962 -11.774 176 1HB LEU 26 1HB LEU 26 5.608 10.028 -9.010 177 2HB LEU 26 2HB LEU 26 7.238 10.315 -9.586 178 HG LEU 26 HG LEU 26 5.104 12.457 -9.390 179 1HD1 LEU 26 1HD1 LEU 26 7.266 12.776 -7.514 180 2HD1 LEU 26 2HD1 LEU 26 5.513 12.686 -7.222 181 3HD1 LEU 26 3HD1 LEU 26 6.482 11.195 -7.283 182 1HD2 LEU 26 1HD2 LEU 26 8.074 12.579 -9.963 183 2HD2 LEU 26 2HD2 LEU 26 6.734 13.048 -11.036 184 3HD2 LEU 26 3HD2 LEU 26 7.070 13.995 -9.567 185 H LYS 27 H LYS 27 7.880 8.945 -11.405 186 HA LYS 27 HA LYS 27 6.329 6.625 -12.313 187 1HB LYS 27 1HB LYS 27 8.890 7.836 -13.172 188 2HB LYS 27 2HB LYS 27 8.900 6.089 -13.047 189 1HG LYS 27 1HG LYS 27 6.415 6.899 -14.297 190 2HG LYS 27 2HG LYS 27 7.735 7.709 -15.117 191 1HD LYS 27 1HD LYS 27 8.739 5.127 -14.798 192 2HD LYS 27 2HD LYS 27 7.033 4.828 -15.064 193 1HE LYS 27 1HE LYS 27 7.388 6.633 -17.035 194 2HE LYS 27 2HE LYS 27 9.051 6.094 -16.914 195 1HZ LYS 27 1HZ LYS 27 7.917 3.777 -16.955 196 2HZ LYS 27 2HZ LYS 27 6.701 4.583 -17.689 197 3HZ LYS 27 3HZ LYS 27 8.196 4.585 -18.346 198 H GLN 28 H GLN 28 7.278 7.815 -9.507 199 HA GLN 28 HA GLN 28 8.285 5.228 -8.613 200 1HB GLN 28 1HB GLN 28 9.599 6.408 -6.873 201 2HB GLN 28 2HB GLN 28 10.093 6.890 -8.484 202 1HG GLN 28 1HG GLN 28 8.048 8.711 -7.891 203 2HG GLN 28 2HG GLN 28 8.843 8.502 -6.343 204 1HE2 GLN 28 1HE2 GLN 28 8.802 10.848 -7.943 205 2HE2 GLN 28 2HE2 GLN 28 10.426 11.247 -8.395 206 H ALA 29 H ALA 29 8.050 5.386 -5.911 207 HA ALA 29 HA ALA 29 5.174 5.690 -5.593 208 1HB ALA 29 1HB ALA 29 6.774 4.668 -3.333 209 2HB ALA 29 2HB ALA 29 5.357 3.959 -4.144 210 3HB ALA 29 3HB ALA 29 6.981 3.741 -4.838 211 H VAL 30 H VAL 30 4.270 6.841 -3.738 212 HA VAL 30 HA VAL 30 6.103 8.703 -2.450 213 HB VAL 30 HB VAL 30 3.586 9.562 -3.888 214 1HG1 VAL 30 1HG1 VAL 30 4.538 11.866 -3.411 215 2HG1 VAL 30 2HG1 VAL 30 3.923 10.972 -2.000 216 3HG1 VAL 30 3HG1 VAL 30 5.675 11.072 -2.296 217 1HG2 VAL 30 1HG2 VAL 30 5.398 8.937 -5.459 218 2HG2 VAL 30 2HG2 VAL 30 5.032 10.678 -5.496 219 3HG2 VAL 30 3HG2 VAL 30 6.480 10.091 -4.643 220 H LYS 31 H LYS 31 5.717 8.726 -0.294 221 HA LYS 31 HA LYS 31 4.021 7.107 0.991 222 1HB LYS 31 1HB LYS 31 5.815 9.033 1.722 223 2HB LYS 31 2HB LYS 31 4.318 9.753 2.280 224 1HG LYS 31 1HG LYS 31 3.892 7.241 3.191 225 2HG LYS 31 2HG LYS 31 5.643 7.197 3.160 226 1HD LYS 31 1HD LYS 31 4.961 7.968 5.362 227 2HD LYS 31 2HD LYS 31 5.687 9.324 4.523 228 1HE LYS 31 1HE LYS 31 3.761 10.527 4.639 229 2HE LYS 31 2HE LYS 31 2.831 9.220 3.934 230 1HZ LYS 31 1HZ LYS 31 2.105 9.704 6.154 231 2HZ LYS 31 2HZ LYS 31 2.736 8.198 6.110 232 3HZ LYS 31 3HZ LYS 31 3.594 9.424 6.765 233 H VAL 32 H VAL 32 1.964 7.446 2.180 234 HA VAL 32 HA VAL 32 0.172 9.105 0.555 235 HB VAL 32 HB VAL 32 -0.204 6.560 2.123 236 1HG1 VAL 32 1HG1 VAL 32 -2.652 7.152 0.913 237 2HG1 VAL 32 2HG1 VAL 32 -2.278 7.208 2.653 238 3HG1 VAL 32 3HG1 VAL 32 -2.145 8.683 1.666 239 1HG2 VAL 32 1HG2 VAL 32 -0.090 7.335 -0.735 240 2HG2 VAL 32 2HG2 VAL 32 0.325 5.797 0.059 241 3HG2 VAL 32 3HG2 VAL 32 -1.375 6.183 -0.300 242 HA PRO 33 HA PRO 33 0.020 11.488 4.240 243 1HB PRO 33 1HB PRO 33 -1.165 13.693 3.144 244 2HB PRO 33 2HB PRO 33 0.569 13.440 3.150 245 1HG PRO 33 1HG PRO 33 -1.335 13.167 0.906 246 2HG PRO 33 2HG PRO 33 0.408 13.338 0.852 247 1HD PRO 33 1HD PRO 33 -1.093 10.924 0.465 248 2HD PRO 33 2HD PRO 33 0.652 11.075 0.526 249 H PHE 34 H PHE 34 -1.516 9.534 4.655 250 HA PHE 34 HA PHE 34 -4.153 9.613 4.244 251 1HB PHE 34 1HB PHE 34 -2.448 8.995 6.713 252 2HB PHE 34 2HB PHE 34 -4.174 8.696 6.744 253 HD1 PHE 34 1HD PHE 34 -0.982 7.431 5.758 254 HD2 PHE 34 2HD PHE 34 -5.144 7.109 4.998 255 HE1 PHE 34 1HE PHE 34 -0.614 5.189 4.691 256 HE2 PHE 34 2HE PHE 34 -4.776 4.867 3.931 257 HZ PHE 34 HZ PHE 34 -2.515 3.934 3.789 258 H ALA 35 H ALA 35 -2.361 11.516 6.742 259 HA ALA 35 HA ALA 35 -4.433 12.546 8.159 260 1HB ALA 35 1HB ALA 35 -1.682 13.385 7.419 261 2HB ALA 35 2HB ALA 35 -2.749 14.693 7.985 262 3HB ALA 35 3HB ALA 35 -2.454 13.274 9.019 263 H LEU 36 H LEU 36 -3.053 13.860 5.066 264 HA LEU 36 HA LEU 36 -4.713 16.021 4.805 265 1HB LEU 36 1HB LEU 36 -3.171 14.278 2.960 266 2HB LEU 36 2HB LEU 36 -4.381 15.320 2.239 267 HG LEU 36 HG LEU 36 -3.244 17.227 3.585 268 1HD1 LEU 36 1HD1 LEU 36 -0.634 16.030 3.398 269 2HD1 LEU 36 2HD1 LEU 36 -1.435 16.795 4.792 270 3HD1 LEU 36 3HD1 LEU 36 -1.673 15.061 4.471 271 1HD2 LEU 36 1HD2 LEU 36 -2.486 15.933 1.042 272 2HD2 LEU 36 2HD2 LEU 36 -2.942 17.618 1.393 273 3HD2 LEU 36 3HD2 LEU 36 -1.282 17.060 1.714 274 H PHE 37 H PHE 37 -5.264 12.625 3.657 275 HA PHE 37 HA PHE 37 -7.807 13.173 2.613 276 1HB PHE 37 1HB PHE 37 -6.427 10.660 3.730 277 2HB PHE 37 2HB PHE 37 -7.939 10.593 2.847 278 HD1 PHE 37 1HD PHE 37 -7.991 10.817 0.459 279 HD2 PHE 37 2HD PHE 37 -4.341 11.303 2.570 280 HE1 PHE 37 1HE PHE 37 -6.722 10.681 -1.702 281 HE2 PHE 37 2HE PHE 37 -3.073 11.168 0.408 282 HZ PHE 37 HZ PHE 37 -4.279 10.858 -1.702 283 H GLU 38 H GLU 38 -6.705 13.143 5.843 284 HA GLU 38 HA GLU 38 -9.278 12.232 6.824 285 1HB GLU 38 1HB GLU 38 -7.970 11.267 8.393 286 2HB GLU 38 2HB GLU 38 -6.550 12.112 7.808 287 1HG GLU 38 1HG GLU 38 -6.952 14.009 9.224 288 2HG GLU 38 2HG GLU 38 -8.609 13.534 9.537 289 H SER 39 H SER 39 -6.910 14.941 7.398 290 HA SER 39 HA SER 39 -8.885 16.504 8.657 291 1HB SER 39 1HB SER 39 -6.030 16.852 7.806 292 2HB SER 39 2HB SER 39 -6.957 18.319 8.051 293 HG SER 39 HG SER 39 -5.761 17.321 9.966 294 H PHE 40 H PHE 40 -7.818 15.969 5.340 295 HA PHE 40 HA PHE 40 -9.702 18.045 4.485 296 1HB PHE 40 1HB PHE 40 -7.060 17.247 3.132 297 2HB PHE 40 2HB PHE 40 -8.078 18.605 2.692 298 HD1 PHE 40 1HD PHE 40 -8.569 20.156 4.943 299 HD2 PHE 40 2HD PHE 40 -5.092 17.859 4.140 300 HE1 PHE 40 1HE PHE 40 -7.234 21.648 6.457 301 HE2 PHE 40 2HE PHE 40 -3.757 19.351 5.654 302 HZ PHE 40 HZ PHE 40 -4.844 21.228 6.794 303 HA PRO 41 HA PRO 41 -10.593 14.011 2.573 304 1HB PRO 41 1HB PRO 41 -13.177 13.737 3.421 305 2HB PRO 41 2HB PRO 41 -11.813 13.018 4.254 306 1HG PRO 41 1HG PRO 41 -13.408 15.388 5.014 307 2HG PRO 41 2HG PRO 41 -12.346 14.414 6.011 308 1HD PRO 41 1HD PRO 41 -11.774 17.001 4.914 309 2HD PRO 41 2HD PRO 41 -10.672 15.977 5.813 310 H GLU 42 H GLU 42 -12.219 17.047 2.677 311 HA GLU 42 HA GLU 42 -13.640 16.428 0.265 312 1HB GLU 42 1HB GLU 42 -13.543 18.749 2.187 313 2HB GLU 42 2HB GLU 42 -14.160 19.035 0.572 314 1HG GLU 42 1HG GLU 42 -15.263 16.566 1.743 315 2HG GLU 42 2HG GLU 42 -15.600 17.966 2.741 316 H ASP 43 H ASP 43 -10.947 16.061 -0.219 317 HA ASP 43 HA ASP 43 -10.544 17.925 -2.286 318 1HB ASP 43 1HB ASP 43 -8.720 18.001 0.155 319 2HB ASP 43 2HB ASP 43 -8.188 18.570 -1.414 320 H PHE 44 H PHE 44 -9.154 15.482 -0.007 321 HA PHE 44 HA PHE 44 -7.814 14.235 -2.303 322 1HB PHE 44 1HB PHE 44 -7.260 14.034 0.717 323 2HB PHE 44 2HB PHE 44 -6.252 13.354 -0.545 324 HD1 PHE 44 1HD PHE 44 -5.610 15.278 -2.404 325 HD2 PHE 44 2HD PHE 44 -6.411 15.919 1.714 326 HE1 PHE 44 1HE PHE 44 -4.264 17.396 -2.471 327 HE2 PHE 44 2HE PHE 44 -5.065 18.036 1.647 328 HZ PHE 44 HZ PHE 44 -4.008 18.750 -0.445 329 H TYR 45 H TYR 45 -8.317 12.125 -2.808 330 HA TYR 45 HA TYR 45 -9.282 10.266 -0.956 331 1HB TYR 45 1HB TYR 45 -11.666 10.232 -1.782 332 2HB TYR 45 2HB TYR 45 -11.292 11.790 -1.070 333 HD1 TYR 45 1HD TYR 45 -11.257 10.071 -4.407 334 HD2 TYR 45 2HD TYR 45 -11.834 13.721 -2.251 335 HE1 TYR 45 1HE TYR 45 -11.980 11.232 -6.550 336 HE2 TYR 45 2HE TYR 45 -12.554 14.870 -4.402 337 HH TYR 45 HH TYR 45 -12.824 13.032 -7.423 338 H VAL 46 H VAL 46 -9.794 8.181 -1.978 339 HA VAL 46 HA VAL 46 -8.686 8.084 -4.694 340 HB VAL 46 HB VAL 46 -8.728 6.101 -2.419 341 1HG1 VAL 46 1HG1 VAL 46 -7.164 5.022 -4.466 342 2HG1 VAL 46 2HG1 VAL 46 -8.766 4.457 -3.935 343 3HG1 VAL 46 3HG1 VAL 46 -8.630 5.605 -5.289 344 1HG2 VAL 46 1HG2 VAL 46 -6.538 7.606 -3.872 345 2HG2 VAL 46 2HG2 VAL 46 -6.959 7.664 -2.144 346 3HG2 VAL 46 3HG2 VAL 46 -6.220 6.198 -2.832 347 H GLU 47 H GLU 47 -9.830 7.067 -6.348 348 HA GLU 47 HA GLU 47 -12.520 6.244 -5.570 349 1HB GLU 47 1HB GLU 47 -11.722 7.349 -8.292 350 2HB GLU 47 2HB GLU 47 -13.344 7.097 -7.680 351 1HG GLU 47 1HG GLU 47 -11.841 8.791 -5.837 352 2HG GLU 47 2HG GLU 47 -11.759 9.454 -7.457 353 H GLY 48 H GLY 48 -13.522 4.723 -7.382 354 1HA GLY 48 1HA GLY 48 -13.301 2.946 -8.817 355 2HA GLY 48 2HA GLY 48 -11.555 3.039 -8.699 356 H LEU 49 H LEU 49 -12.087 3.270 -5.563 357 HA LEU 49 HA LEU 49 -11.279 0.832 -4.805 358 1HB LEU 49 1HB LEU 49 -13.012 2.880 -3.472 359 2HB LEU 49 2HB LEU 49 -12.680 1.361 -2.664 360 HG LEU 49 HG LEU 49 -10.565 3.300 -3.640 361 1HD1 LEU 49 1HD1 LEU 49 -11.994 3.017 -1.027 362 2HD1 LEU 49 2HD1 LEU 49 -10.271 3.465 -1.024 363 3HD1 LEU 49 3HD1 LEU 49 -11.453 4.478 -1.888 364 1HD2 LEU 49 1HD2 LEU 49 -10.398 0.704 -2.102 365 2HD2 LEU 49 2HD2 LEU 49 -9.611 1.138 -3.638 366 3HD2 LEU 49 3HD2 LEU 49 -9.088 1.908 -2.121 367 HA PRO 50 HA PRO 50 -14.491 -1.980 -5.427 368 1HB PRO 50 1HB PRO 50 -14.016 -3.850 -3.492 369 2HB PRO 50 2HB PRO 50 -13.117 -3.776 -4.994 370 1HG PRO 50 1HG PRO 50 -12.267 -2.957 -2.284 371 2HG PRO 50 2HG PRO 50 -11.277 -3.290 -3.692 372 1HD PRO 50 1HD PRO 50 -11.955 -0.708 -2.642 373 2HD PRO 50 2HD PRO 50 -11.063 -1.040 -4.113 374 H GLU 51 H GLU 51 -16.624 -2.456 -5.008 375 HA GLU 51 HA GLU 51 -18.531 -1.742 -4.132 376 1HB GLU 51 1HB GLU 51 -17.644 -3.938 -2.926 377 2HB GLU 51 2HB GLU 51 -17.572 -2.905 -1.512 378 1HG GLU 51 1HG GLU 51 -20.055 -2.228 -2.346 379 2HG GLU 51 2HG GLU 51 -19.976 -3.818 -3.080 380 H GLY 52 H GLY 52 -18.843 -1.367 -1.069 381 1HA GLY 52 1HA GLY 52 -18.351 1.495 -1.108 382 2HA GLY 52 2HA GLY 52 -19.266 0.579 0.072 383 H VAL 53 H VAL 53 -15.975 -0.326 -1.024 384 HA VAL 53 HA VAL 53 -15.061 -0.433 1.656 385 HB VAL 53 HB VAL 53 -13.569 -0.579 -0.971 386 1HG1 VAL 53 1HG1 VAL 53 -11.851 -0.304 0.533 387 2HG1 VAL 53 2HG1 VAL 53 -12.763 -1.024 1.881 388 3HG1 VAL 53 3HG1 VAL 53 -12.065 -2.069 0.621 389 1HG2 VAL 53 1HG2 VAL 53 -14.286 -2.686 -1.237 390 2HG2 VAL 53 2HG2 VAL 53 -14.017 -3.082 0.477 391 3HG2 VAL 53 3HG2 VAL 53 -15.534 -2.299 -0.028 392 HA PRO 54 HA PRO 54 -14.039 3.831 1.765 393 1HB PRO 54 1HB PRO 54 -13.575 3.982 4.454 394 2HB PRO 54 2HB PRO 54 -15.166 4.171 3.744 395 1HG PRO 54 1HG PRO 54 -14.054 1.858 5.212 396 2HG PRO 54 2HG PRO 54 -15.730 2.241 4.874 397 1HD PRO 54 1HD PRO 54 -14.117 0.276 3.546 398 2HD PRO 54 2HD PRO 54 -15.756 0.741 3.133 399 H PHE 55 H PHE 55 -12.216 4.681 1.008 400 HA PHE 55 HA PHE 55 -9.876 3.286 0.982 401 1HB PHE 55 1HB PHE 55 -10.455 5.345 -0.343 402 2HB PHE 55 2HB PHE 55 -10.450 6.307 1.122 403 HD1 PHE 55 1HD PHE 55 -8.578 7.581 1.525 404 HD2 PHE 55 2HD PHE 55 -8.147 4.004 -0.718 405 HE1 PHE 55 1HE PHE 55 -6.144 8.089 1.183 406 HE2 PHE 55 2HE PHE 55 -5.713 4.512 -1.060 407 HZ PHE 55 HZ PHE 55 -4.741 6.548 -0.105 408 H ARG 56 H ARG 56 -9.347 2.315 3.000 409 HA ARG 56 HA ARG 56 -8.452 4.269 4.965 410 1HB ARG 56 1HB ARG 56 -10.097 1.795 5.257 411 2HB ARG 56 2HB ARG 56 -8.810 1.946 6.437 412 1HG ARG 56 1HG ARG 56 -10.576 4.341 5.883 413 2HG ARG 56 2HG ARG 56 -11.196 3.045 6.887 414 1HD ARG 56 1HD ARG 56 -8.430 4.063 7.513 415 2HD ARG 56 2HD ARG 56 -9.777 5.109 7.913 416 HE ARG 56 HE ARG 56 -9.018 2.733 9.330 417 1HH1 ARG 56 2HH2 ARG 56 -11.893 4.433 8.226 418 2HH1 ARG 56 1HH2 ARG 56 -12.905 3.803 9.483 419 1HH2 ARG 56 2HH1 ARG 56 -10.351 1.901 10.989 420 2HH2 ARG 56 1HH1 ARG 56 -12.021 2.353 11.065 421 H ARG 57 H ARG 57 -6.969 2.658 6.670 422 HA ARG 57 HA ARG 57 -4.698 2.190 5.105 423 1HB ARG 57 1HB ARG 57 -5.368 1.587 8.024 424 2HB ARG 57 2HB ARG 57 -3.787 1.261 7.343 425 1HG ARG 57 1HG ARG 57 -3.185 3.451 7.461 426 2HG ARG 57 2HG ARG 57 -4.647 3.969 6.646 427 1HD ARG 57 1HD ARG 57 -5.833 3.503 8.954 428 2HD ARG 57 2HD ARG 57 -4.212 3.524 9.621 429 HE ARG 57 HE ARG 57 -4.744 5.829 7.906 430 1HH1 ARG 57 2HH2 ARG 57 -5.100 4.543 11.162 431 2HH1 ARG 57 1HH2 ARG 57 -5.202 6.105 11.905 432 1HH2 ARG 57 2HH1 ARG 57 -4.877 7.889 8.886 433 2HH2 ARG 57 1HH1 ARG 57 -5.074 8.021 10.602 434 HA PRO 58 HA PRO 58 -5.315 -2.048 4.257 435 1HB PRO 58 1HB PRO 58 -2.773 -2.806 3.598 436 2HB PRO 58 2HB PRO 58 -3.848 -1.984 2.483 437 1HG PRO 58 1HG PRO 58 -1.524 -0.902 3.956 438 2HG PRO 58 2HG PRO 58 -2.334 -0.244 2.548 439 1HD PRO 58 1HD PRO 58 -2.588 0.668 5.256 440 2HD PRO 58 2HD PRO 58 -3.484 1.248 3.867 441 H SER 59 H SER 59 -3.446 -0.967 6.834 442 HA SER 59 HA SER 59 -2.976 -3.648 7.763 443 1HB SER 59 1HB SER 59 -1.207 -1.995 8.106 444 2HB SER 59 2HB SER 59 -2.312 -0.910 8.925 445 HG SER 59 HG SER 59 -2.401 -3.332 10.181 446 H THR 60 H THR 60 -5.668 -3.408 7.484 447 HA THR 60 HA THR 60 -6.613 -3.741 10.133 448 HB THR 60 HB THR 60 -6.691 -1.052 8.986 449 HG1 THR 60 1HG THR 60 -7.877 -2.266 11.377 450 1HG2 THR 60 1HG2 THR 60 -8.980 -1.728 8.191 451 2HG2 THR 60 2HG2 THR 60 -9.358 -2.304 9.832 452 3HG2 THR 60 3HG2 THR 60 -9.068 -0.572 9.542 453 H PHE 61 H PHE 61 -7.356 -3.123 6.670 454 HA PHE 61 HA PHE 61 -9.876 -4.161 6.574 455 1HB PHE 61 1HB PHE 61 -7.426 -4.196 4.743 456 2HB PHE 61 2HB PHE 61 -8.913 -4.946 4.197 457 HD1 PHE 61 1HD PHE 61 -10.931 -3.057 5.271 458 HD2 PHE 61 2HD PHE 61 -7.202 -2.321 3.383 459 HE1 PHE 61 1HE PHE 61 -11.769 -0.825 4.486 460 HE2 PHE 61 2HE PHE 61 -8.041 -0.089 2.598 461 HZ PHE 61 HZ PHE 61 -10.314 0.632 3.159 462 H GLY 62 H GLY 62 -10.249 -6.348 5.111 463 1HA GLY 62 1HA GLY 62 -9.225 -8.492 6.831 464 2HA GLY 62 2HA GLY 62 -10.637 -8.548 5.796 465 H ILE 63 H ILE 63 -8.969 -10.681 5.591 466 HA ILE 63 HA ILE 63 -6.815 -10.424 3.855 467 HB ILE 63 HB ILE 63 -8.663 -12.695 4.549 468 1HG1 ILE 63 1HG1 ILE 63 -5.734 -12.477 5.198 469 2HG1 ILE 63 2HG1 ILE 63 -6.910 -11.600 6.156 470 1HG2 ILE 63 1HG2 ILE 63 -7.000 -12.531 2.239 471 2HG2 ILE 63 2HG2 ILE 63 -6.256 -13.674 3.383 472 3HG2 ILE 63 3HG2 ILE 63 -7.937 -13.916 2.849 473 1HD1 ILE 63 1HD1 ILE 63 -7.422 -13.489 7.287 474 2HD1 ILE 63 2HD1 ILE 63 -7.910 -14.279 5.769 475 3HD1 ILE 63 3HD1 ILE 63 -6.221 -14.378 6.320 476 HA PRO 64 HA PRO 64 -10.049 -11.066 0.453 477 1HB PRO 64 1HB PRO 64 -12.683 -10.600 1.014 478 2HB PRO 64 2HB PRO 64 -11.971 -12.201 1.019 479 1HG PRO 64 1HG PRO 64 -12.745 -10.510 3.317 480 2HG PRO 64 2HG PRO 64 -12.440 -12.235 3.277 481 1HD PRO 64 1HD PRO 64 -10.682 -10.203 4.283 482 2HD PRO 64 2HD PRO 64 -10.331 -11.914 4.137 483 H ARG 65 H ARG 65 -11.363 -8.608 2.629 484 HA ARG 65 HA ARG 65 -12.019 -6.790 0.776 485 1HB ARG 65 1HB ARG 65 -11.467 -6.812 3.613 486 2HB ARG 65 2HB ARG 65 -10.724 -5.372 2.944 487 1HG ARG 65 1HG ARG 65 -13.289 -5.584 1.701 488 2HG ARG 65 2HG ARG 65 -13.547 -5.927 3.400 489 1HD ARG 65 1HD ARG 65 -11.945 -3.783 3.717 490 2HD ARG 65 2HD ARG 65 -12.523 -3.399 2.107 491 HE ARG 65 HE ARG 65 -14.578 -2.828 3.046 492 1HH1 ARG 65 2HH2 ARG 65 -12.942 -5.061 5.219 493 2HH1 ARG 65 1HH2 ARG 65 -14.165 -4.966 6.442 494 1HH2 ARG 65 2HH1 ARG 65 -16.191 -2.703 4.660 495 2HH2 ARG 65 1HH1 ARG 65 -16.025 -3.616 6.122 496 H LEU 66 H LEU 66 -8.762 -7.626 2.005 497 HA LEU 66 HA LEU 66 -7.404 -5.404 0.982 498 1HB LEU 66 1HB LEU 66 -6.688 -8.135 1.931 499 2HB LEU 66 2HB LEU 66 -5.491 -7.250 1.007 500 HG LEU 66 HG LEU 66 -6.835 -6.015 3.409 501 1HD1 LEU 66 1HD1 LEU 66 -4.171 -7.353 3.680 502 2HD1 LEU 66 2HD1 LEU 66 -5.397 -6.976 4.915 503 3HD1 LEU 66 3HD1 LEU 66 -5.653 -8.334 3.793 504 1HD2 LEU 66 1HD2 LEU 66 -5.354 -4.794 1.589 505 2HD2 LEU 66 2HD2 LEU 66 -5.226 -4.396 3.319 506 3HD2 LEU 66 3HD2 LEU 66 -4.023 -5.467 2.561 507 H GLU 67 H GLU 67 -7.895 -8.738 -0.374 508 HA GLU 67 HA GLU 67 -6.576 -8.254 -2.732 509 1HB GLU 67 1HB GLU 67 -8.608 -10.224 -1.762 510 2HB GLU 67 2HB GLU 67 -8.432 -10.098 -3.501 511 1HG GLU 67 1HG GLU 67 -5.829 -10.159 -2.099 512 2HG GLU 67 2HG GLU 67 -6.792 -11.590 -1.791 513 H LYS 68 H LYS 68 -10.012 -7.698 -1.799 514 HA LYS 68 HA LYS 68 -11.171 -7.185 -4.172 515 1HB LYS 68 1HB LYS 68 -11.510 -5.609 -1.602 516 2HB LYS 68 2HB LYS 68 -12.632 -5.602 -2.948 517 1HG LYS 68 1HG LYS 68 -12.419 -8.296 -2.579 518 2HG LYS 68 2HG LYS 68 -12.078 -7.765 -0.944 519 1HD LYS 68 1HD LYS 68 -14.309 -7.527 -0.618 520 2HD LYS 68 2HD LYS 68 -14.285 -6.187 -1.747 521 1HE LYS 68 1HE LYS 68 -15.573 -7.400 -3.165 522 2HE LYS 68 2HE LYS 68 -14.247 -8.528 -3.366 523 1HZ LYS 68 1HZ LYS 68 -15.845 -8.797 -0.972 524 2HZ LYS 68 2HZ LYS 68 -16.539 -9.250 -2.379 525 3HZ LYS 68 3HZ LYS 68 -15.147 -9.952 -1.892 526 H ILE 69 H ILE 69 -9.184 -4.840 -2.245 527 HA ILE 69 HA ILE 69 -9.393 -2.742 -4.047 528 HB ILE 69 HB ILE 69 -7.366 -3.510 -1.966 529 1HG1 ILE 69 1HG1 ILE 69 -8.821 -1.000 -1.666 530 2HG1 ILE 69 2HG1 ILE 69 -9.909 -2.362 -1.843 531 1HG2 ILE 69 1HG2 ILE 69 -6.980 -1.648 -4.138 532 2HG2 ILE 69 2HG2 ILE 69 -7.001 -0.793 -2.576 533 3HG2 ILE 69 3HG2 ILE 69 -5.861 -2.134 -2.841 534 1HD1 ILE 69 1HD1 ILE 69 -7.930 -1.777 0.331 535 2HD1 ILE 69 2HD1 ILE 69 -9.546 -2.517 0.434 536 3HD1 ILE 69 3HD1 ILE 69 -8.156 -3.486 -0.111 537 H LEU 70 H LEU 70 -6.679 -5.135 -3.671 538 HA LEU 70 HA LEU 70 -5.151 -4.366 -5.761 539 1HB LEU 70 1HB LEU 70 -5.752 -7.050 -4.565 540 2HB LEU 70 2HB LEU 70 -4.679 -6.920 -5.944 541 HG LEU 70 HG LEU 70 -3.958 -5.013 -3.865 542 1HD1 LEU 70 1HD1 LEU 70 -4.115 -7.936 -3.097 543 2HD1 LEU 70 2HD1 LEU 70 -3.096 -6.739 -2.262 544 3HD1 LEU 70 3HD1 LEU 70 -4.865 -6.545 -2.278 545 1HD2 LEU 70 1HD2 LEU 70 -2.440 -7.327 -5.102 546 2HD2 LEU 70 2HD2 LEU 70 -2.530 -5.676 -5.760 547 3HD2 LEU 70 3HD2 LEU 70 -1.749 -5.966 -4.187 548 H ARG 71 H ARG 71 -7.862 -6.783 -5.946 549 HA ARG 71 HA ARG 71 -7.819 -7.400 -8.493 550 1HB ARG 71 1HB ARG 71 -10.208 -6.659 -6.753 551 2HB ARG 71 2HB ARG 71 -10.438 -7.282 -8.375 552 1HG ARG 71 1HG ARG 71 -9.597 -9.404 -7.839 553 2HG ARG 71 2HG ARG 71 -8.580 -8.798 -6.547 554 1HD ARG 71 1HD ARG 71 -10.246 -8.982 -4.976 555 2HD ARG 71 2HD ARG 71 -11.473 -8.352 -6.057 556 HE ARG 71 HE ARG 71 -10.796 -11.166 -5.640 557 1HH1 ARG 71 2HH2 ARG 71 -12.204 -8.863 -7.897 558 2HH1 ARG 71 1HH2 ARG 71 -13.146 -10.057 -8.726 559 1HH2 ARG 71 2HH1 ARG 71 -12.038 -12.742 -6.733 560 2HH2 ARG 71 1HH1 ARG 71 -13.051 -12.279 -8.059 561 H ASN 72 H ASN 72 -9.023 -4.283 -7.134 562 HA ASN 72 HA ASN 72 -9.304 -3.335 -9.874 563 1HB ASN 72 1HB ASN 72 -10.618 -2.533 -7.248 564 2HB ASN 72 2HB ASN 72 -10.572 -1.394 -8.580 565 1HD2 ASN 72 1HD2 ASN 72 -12.916 -2.409 -7.488 566 2HD2 ASN 72 2HD2 ASN 72 -13.744 -3.382 -8.658 567 H LYS 73 H LYS 73 -6.700 -3.422 -9.191 568 HA LYS 73 HA LYS 73 -5.880 -1.162 -7.637 569 1HB LYS 73 1HB LYS 73 -3.676 -1.953 -7.981 570 2HB LYS 73 2HB LYS 73 -4.678 -3.373 -7.755 571 1HG LYS 73 1HG LYS 73 -4.842 -3.593 -10.280 572 2HG LYS 73 2HG LYS 73 -3.719 -2.256 -10.432 573 1HD LYS 73 1HD LYS 73 -2.208 -4.017 -10.509 574 2HD LYS 73 2HD LYS 73 -2.222 -3.738 -8.779 575 1HE LYS 73 1HE LYS 73 -3.284 -5.725 -8.334 576 2HE LYS 73 2HE LYS 73 -4.381 -5.560 -9.690 577 1HZ LYS 73 1HZ LYS 73 -2.127 -7.122 -9.553 578 2HZ LYS 73 2HZ LYS 73 -3.096 -6.897 -10.848 579 3HZ LYS 73 3HZ LYS 73 -1.782 -5.951 -10.638 580 H ALA 74 H ALA 74 -5.868 -2.091 -11.138 581 HA ALA 74 HA ALA 74 -4.754 0.354 -11.987 582 1HB ALA 74 1HB ALA 74 -5.369 -0.440 -14.212 583 2HB ALA 74 2HB ALA 74 -4.726 -1.798 -13.257 584 3HB ALA 74 3HB ALA 74 -6.481 -1.639 -13.509 585 H LYS 75 H LYS 75 -8.133 -0.894 -11.676 586 HA LYS 75 HA LYS 75 -9.414 1.260 -12.837 587 1HB LYS 75 1HB LYS 75 -10.371 -0.510 -10.567 588 2HB LYS 75 2HB LYS 75 -11.386 0.494 -11.583 589 1HG LYS 75 1HG LYS 75 -10.467 -0.784 -13.606 590 2HG LYS 75 2HG LYS 75 -9.683 -1.874 -12.480 591 1HD LYS 75 1HD LYS 75 -11.671 -3.031 -12.762 592 2HD LYS 75 2HD LYS 75 -12.147 -2.011 -11.419 593 1HE LYS 75 1HE LYS 75 -13.464 -0.608 -12.758 594 2HE LYS 75 2HE LYS 75 -12.511 -0.903 -14.199 595 1HZ LYS 75 1HZ LYS 75 -14.121 -3.017 -12.969 596 2HZ LYS 75 2HZ LYS 75 -14.747 -1.989 -14.073 597 3HZ LYS 75 3HZ LYS 75 -13.507 -2.970 -14.482 598 H ILE 76 H ILE 76 -8.428 0.723 -9.394 599 HA ILE 76 HA ILE 76 -9.503 2.899 -8.225 600 HB ILE 76 HB ILE 76 -6.994 1.353 -7.836 601 1HG1 ILE 76 1HG1 ILE 76 -9.195 1.992 -5.866 602 2HG1 ILE 76 2HG1 ILE 76 -9.355 0.714 -7.055 603 1HG2 ILE 76 1HG2 ILE 76 -7.610 3.911 -6.332 604 2HG2 ILE 76 2HG2 ILE 76 -6.374 2.712 -5.881 605 3HG2 ILE 76 3HG2 ILE 76 -6.222 3.615 -7.407 606 1HD1 ILE 76 1HD1 ILE 76 -7.063 0.928 -5.049 607 2HD1 ILE 76 2HD1 ILE 76 -8.484 -0.128 -4.867 608 3HD1 ILE 76 3HD1 ILE 76 -7.333 -0.405 -6.196 609 H LYS 77 H LYS 77 -8.839 5.094 -7.811 610 HA LYS 77 HA LYS 77 -6.705 6.143 -9.450 611 1HB LYS 77 1HB LYS 77 -8.876 6.029 -10.850 612 2HB LYS 77 2HB LYS 77 -9.457 7.324 -9.823 613 1HG LYS 77 1HG LYS 77 -7.346 8.632 -10.396 614 2HG LYS 77 2HG LYS 77 -6.930 7.370 -11.538 615 1HD LYS 77 1HD LYS 77 -8.584 7.979 -13.043 616 2HD LYS 77 2HD LYS 77 -9.703 8.469 -11.786 617 1HE LYS 77 1HE LYS 77 -8.747 10.615 -11.571 618 2HE LYS 77 2HE LYS 77 -7.191 10.103 -12.194 619 1HZ LYS 77 1HZ LYS 77 -8.512 11.418 -13.760 620 2HZ LYS 77 2HZ LYS 77 -8.113 9.952 -14.359 621 3HZ LYS 77 3HZ LYS 77 -9.631 10.230 -13.825 622 H PHE 78 H PHE 78 -5.772 7.956 -8.523 623 HA PHE 78 HA PHE 78 -6.941 8.707 -5.953 624 1HB PHE 78 1HB PHE 78 -4.202 8.713 -7.295 625 2HB PHE 78 2HB PHE 78 -4.470 9.810 -5.956 626 HD1 PHE 78 1HD PHE 78 -3.462 9.019 -4.048 627 HD2 PHE 78 2HD PHE 78 -5.440 6.253 -6.586 628 HE1 PHE 78 1HE PHE 78 -2.952 7.169 -2.430 629 HE2 PHE 78 2HE PHE 78 -4.930 4.403 -4.969 630 HZ PHE 78 HZ PHE 78 -3.691 4.883 -2.910 631 H ILE 79 H ILE 79 -7.723 10.746 -5.574 632 HA ILE 79 HA ILE 79 -7.350 12.675 -7.756 633 HB ILE 79 HB ILE 79 -9.644 12.030 -5.953 634 1HG1 ILE 79 1HG1 ILE 79 -10.910 12.086 -8.002 635 2HG1 ILE 79 2HG1 ILE 79 -9.557 12.758 -8.892 636 1HG2 ILE 79 1HG2 ILE 79 -8.836 14.744 -6.851 637 2HG2 ILE 79 2HG2 ILE 79 -10.551 14.305 -7.042 638 3HG2 ILE 79 3HG2 ILE 79 -9.787 14.230 -5.436 639 1HD1 ILE 79 1HD1 ILE 79 -10.002 10.183 -9.047 640 2HD1 ILE 79 2HD1 ILE 79 -8.326 10.737 -8.820 641 3HD1 ILE 79 3HD1 ILE 79 -9.253 10.115 -7.434 642 H ILE 80 H ILE 80 -6.515 14.698 -7.314 643 HA ILE 80 HA ILE 80 -6.101 15.366 -4.504 644 HB ILE 80 HB ILE 80 -3.872 15.536 -6.524 645 1HG1 ILE 80 1HG1 ILE 80 -4.704 13.261 -4.764 646 2HG1 ILE 80 2HG1 ILE 80 -4.057 13.240 -6.393 647 1HG2 ILE 80 1HG2 ILE 80 -3.779 15.645 -3.501 648 2HG2 ILE 80 2HG2 ILE 80 -2.467 15.994 -4.652 649 3HG2 ILE 80 3HG2 ILE 80 -3.872 17.081 -4.548 650 1HD1 ILE 80 1HD1 ILE 80 -2.500 13.899 -3.851 651 2HD1 ILE 80 2HD1 ILE 80 -2.354 12.421 -4.832 652 3HD1 ILE 80 3HD1 ILE 80 -1.829 13.986 -5.497 653 H LYS 81 H LYS 81 -7.126 17.270 -4.239 654 HA LYS 81 HA LYS 81 -7.327 19.032 -6.548 655 1HB LYS 81 1HB LYS 81 -8.727 19.056 -3.858 656 2HB LYS 81 2HB LYS 81 -8.995 20.226 -5.134 657 1HG LYS 81 1HG LYS 81 -9.719 18.415 -6.676 658 2HG LYS 81 2HG LYS 81 -9.388 17.211 -5.447 659 1HD LYS 81 1HD LYS 81 -11.045 18.925 -4.053 660 2HD LYS 81 2HD LYS 81 -11.681 19.105 -5.676 661 1HE LYS 81 1HE LYS 81 -11.837 16.581 -5.847 662 2HE LYS 81 2HE LYS 81 -11.314 16.466 -4.179 663 1HZ LYS 81 1HZ LYS 81 -13.353 18.271 -4.169 664 2HZ LYS 81 2HZ LYS 81 -13.862 17.099 -5.185 665 3HZ LYS 81 3HZ LYS 81 -13.424 16.722 -3.657 666 H LYS 82 H LYS 82 -5.677 18.640 -3.456 667 HA LYS 82 HA LYS 82 -4.439 21.265 -3.911 668 1HB LYS 82 1HB LYS 82 -5.315 20.002 -1.304 669 2HB LYS 82 2HB LYS 82 -4.161 21.318 -1.379 670 1HG LYS 82 1HG LYS 82 -6.124 22.333 -3.000 671 2HG LYS 82 2HG LYS 82 -7.101 21.336 -1.941 672 1HD LYS 82 1HD LYS 82 -6.478 22.543 0.001 673 2HD LYS 82 2HD LYS 82 -5.011 23.163 -0.731 674 1HE LYS 82 1HE LYS 82 -6.464 25.039 -0.735 675 2HE LYS 82 2HE LYS 82 -6.568 24.443 -2.379 676 1HZ LYS 82 1HZ LYS 82 -8.440 23.375 -0.442 677 2HZ LYS 82 2HZ LYS 82 -8.685 24.900 -0.971 678 3HZ LYS 82 3HZ LYS 82 -8.647 23.662 -2.036 679 HA PRO 83 HA PRO 83 -1.298 18.036 -4.083 680 1HB PRO 83 1HB PRO 83 -0.109 18.829 -6.413 681 2HB PRO 83 2HB PRO 83 -1.365 17.608 -6.345 682 1HG PRO 83 1HG PRO 83 -1.556 20.414 -7.254 683 2HG PRO 83 2HG PRO 83 -2.651 19.082 -7.567 684 1HD PRO 83 1HD PRO 83 -3.043 21.224 -5.700 685 2HD PRO 83 2HD PRO 83 -4.081 19.830 -5.929 686 H GLU 84 H GLU 84 -1.292 21.447 -4.177 687 HA GLU 84 HA GLU 84 1.417 21.881 -4.024 688 1HB GLU 84 1HB GLU 84 0.787 24.058 -2.971 689 2HB GLU 84 2HB GLU 84 -0.172 23.696 -4.393 690 1HG GLU 84 1HG GLU 84 -2.022 24.010 -3.116 691 2HG GLU 84 2HG GLU 84 -1.631 22.508 -2.301 692 H MET 85 H MET 85 -0.812 20.500 -1.701 693 HA MET 85 HA MET 85 0.938 21.060 0.509 694 1HB MET 85 1HB MET 85 -1.696 19.529 0.178 695 2HB MET 85 2HB MET 85 -0.854 19.603 1.714 696 1HG MET 85 1HG MET 85 -1.151 21.976 1.901 697 2HG MET 85 2HG MET 85 -1.533 22.153 0.200 698 1HE MET 85 1HE MET 85 -2.640 19.526 2.841 699 2HE MET 85 2HE MET 85 -2.847 21.051 3.736 700 3HE MET 85 3HE MET 85 -4.272 20.084 3.283 701 H PHE 86 H PHE 86 0.205 18.466 -1.789 702 HA PHE 86 HA PHE 86 1.235 16.333 -0.294 703 1HB PHE 86 1HB PHE 86 0.368 17.044 -3.044 704 2HB PHE 86 2HB PHE 86 1.698 15.904 -3.078 705 HD1 PHE 86 1HD PHE 86 1.208 13.650 -2.993 706 HD2 PHE 86 2HD PHE 86 -1.581 16.400 -1.361 707 HE1 PHE 86 1HE PHE 86 -0.395 11.768 -2.560 708 HE2 PHE 86 2HE PHE 86 -3.184 14.518 -0.927 709 HZ PHE 86 HZ PHE 86 -2.572 12.224 -1.532 710 H GLU 87 H GLU 87 2.733 18.785 -2.438 711 HA GLU 87 HA GLU 87 5.091 17.629 -2.992 712 1HB GLU 87 1HB GLU 87 4.013 20.275 -2.967 713 2HB GLU 87 2HB GLU 87 5.583 20.375 -2.194 714 1HG GLU 87 1HG GLU 87 5.601 18.663 -4.610 715 2HG GLU 87 2HG GLU 87 5.121 20.313 -4.951 716 H THR 88 H THR 88 4.227 19.426 0.038 717 HA THR 88 HA THR 88 6.648 19.340 1.313 718 HB THR 88 HB THR 88 3.777 19.091 2.343 719 HG1 THR 88 1HG THR 88 3.953 21.256 1.916 720 1HG2 THR 88 1HG2 THR 88 6.187 18.750 3.844 721 2HG2 THR 88 2HG2 THR 88 5.667 20.430 4.119 722 3HG2 THR 88 3HG2 THR 88 4.562 19.084 4.489 723 H ALA 89 H ALA 89 4.259 16.703 0.908 724 HA ALA 89 HA ALA 89 5.565 14.960 2.714 725 1HB ALA 89 1HB ALA 89 3.955 13.396 2.019 726 2HB ALA 89 2HB ALA 89 3.133 14.955 1.766 727 3HB ALA 89 3HB ALA 89 3.846 14.090 0.383 728 H ILE 90 H ILE 90 5.468 15.148 -0.918 729 HA ILE 90 HA ILE 90 7.219 13.121 -1.442 730 HB ILE 90 HB ILE 90 6.787 15.738 -2.880 731 1HG1 ILE 90 1HG1 ILE 90 5.694 13.345 -4.107 732 2HG1 ILE 90 2HG1 ILE 90 5.088 13.537 -2.474 733 1HG2 ILE 90 1HG2 ILE 90 8.842 13.858 -3.318 734 2HG2 ILE 90 2HG2 ILE 90 7.633 13.589 -4.596 735 3HG2 ILE 90 3HG2 ILE 90 8.342 15.206 -4.368 736 1HD1 ILE 90 1HD1 ILE 90 3.715 14.724 -4.245 737 2HD1 ILE 90 2HD1 ILE 90 4.293 15.788 -2.940 738 3HD1 ILE 90 3HD1 ILE 90 5.108 15.797 -4.523 739 H LYS 91 H LYS 91 7.912 16.522 -0.491 740 HA LYS 91 HA LYS 91 10.631 16.508 -0.935 741 1HB LYS 91 1HB LYS 91 8.690 18.165 0.355 742 2HB LYS 91 2HB LYS 91 10.058 18.000 1.437 743 1HG LYS 91 1HG LYS 91 11.614 18.753 -0.288 744 2HG LYS 91 2HG LYS 91 10.370 18.685 -1.520 745 1HD LYS 91 1HD LYS 91 9.615 20.764 -0.996 746 2HD LYS 91 2HD LYS 91 9.484 20.360 0.704 747 1HE LYS 91 1HE LYS 91 12.156 20.575 0.631 748 2HE LYS 91 2HE LYS 91 11.827 21.551 -0.787 749 1HZ LYS 91 1HZ LYS 91 11.826 22.567 1.591 750 2HZ LYS 91 2HZ LYS 91 10.799 23.119 0.448 751 3HZ LYS 91 3HZ LYS 91 10.266 22.084 1.593 752 H GLU 92 H GLU 92 8.954 15.861 2.230 753 HA GLU 92 HA GLU 92 11.376 14.595 3.128 754 1HB GLU 92 1HB GLU 92 8.741 15.224 4.527 755 2HB GLU 92 2HB GLU 92 10.086 14.424 5.315 756 1HG GLU 92 1HG GLU 92 10.558 17.047 3.874 757 2HG GLU 92 2HG GLU 92 9.830 17.063 5.468 758 H SER 93 H SER 93 10.210 13.221 0.960 759 HA SER 93 HA SER 93 8.361 11.319 1.601 760 1HB SER 93 1HB SER 93 9.400 10.000 -0.293 761 2HB SER 93 2HB SER 93 9.015 11.662 -0.694 762 HG SER 93 HG SER 93 11.066 11.933 -1.204 763 H SER 94 H SER 94 11.986 10.925 1.524 764 HA SER 94 HA SER 94 13.294 9.440 2.441 765 1HB SER 94 1HB SER 94 11.425 10.063 4.756 766 2HB SER 94 2HB SER 94 12.831 9.038 4.965 767 HG SER 94 HG SER 94 14.169 10.738 4.766 768 H GLY 95 H GLY 95 12.676 7.652 1.031 769 1HA GLY 95 1HA GLY 95 11.331 5.499 2.505 770 2HA GLY 95 2HA GLY 95 10.710 5.953 0.930 771 HA PRO 96 HA PRO 96 14.997 3.902 0.529 772 1HB PRO 96 1HB PRO 96 15.584 2.029 2.431 773 2HB PRO 96 2HB PRO 96 16.207 3.666 2.474 774 1HG PRO 96 1HG PRO 96 14.061 2.456 4.109 775 2HG PRO 96 2HG PRO 96 14.978 3.919 4.410 776 1HD PRO 96 1HD PRO 96 12.286 3.751 3.434 777 2HD PRO 96 2HD PRO 96 13.242 5.207 3.625 778 H SER 97 H SER 97 12.900 3.382 -0.848 779 HA SER 97 HA SER 97 11.768 0.923 -0.586 780 1HB SER 97 1HB SER 97 11.217 1.118 -3.001 781 2HB SER 97 2HB SER 97 10.942 2.624 -2.148 782 HG SER 97 HG SER 97 13.481 2.750 -2.973 783 H SER 98 H SER 98 12.145 -1.143 -1.721 784 HA SER 98 HA SER 98 14.885 -1.805 -1.694 785 1HB SER 98 1HB SER 98 14.015 -4.075 -2.451 786 2HB SER 98 2HB SER 98 13.331 -3.475 -0.953 787 HG SER 98 HG SER 98 11.906 -2.691 -3.245 788 H GLY 99 H GLY 99 16.019 -2.911 -3.570 789 1HA GLY 99 1HA GLY 99 16.616 -3.092 -5.743 790 2HA GLY 99 2HA GLY 99 15.021 -2.547 -6.222 Start of MODEL 17 1 1H GLY 1 H GLY 1 -0.092 -17.560 6.043 2 1HA GLY 1 1HA GLY 1 1.027 -16.061 7.602 3 2HA GLY 1 2HA GLY 1 2.500 -16.974 7.344 4 H SER 2 H SER 2 3.602 -16.864 5.252 5 HA SER 2 HA SER 2 3.889 -14.397 4.266 6 1HB SER 2 1HB SER 2 4.481 -17.140 3.291 7 2HB SER 2 2HB SER 2 4.428 -15.930 2.024 8 HG SER 2 HG SER 2 6.400 -15.396 2.643 9 H SER 3 H SER 3 1.905 -17.029 2.710 10 HA SER 3 HA SER 3 0.831 -15.260 0.816 11 1HB SER 3 1HB SER 3 0.031 -18.048 1.742 12 2HB SER 3 2HB SER 3 -0.816 -17.210 0.457 13 HG SER 3 HG SER 3 2.046 -17.608 0.412 14 H GLY 4 H GLY 4 -0.798 -17.082 3.525 15 1HA GLY 4 1HA GLY 4 -3.179 -15.642 3.485 16 2HA GLY 4 2HA GLY 4 -2.539 -16.550 4.840 17 H SER 5 H SER 5 -3.426 -13.463 3.748 18 HA SER 5 HA SER 5 -3.239 -11.454 4.545 19 1HB SER 5 1HB SER 5 -3.061 -11.128 6.925 20 2HB SER 5 2HB SER 5 -3.897 -12.649 6.679 21 HG SER 5 HG SER 5 -1.366 -12.145 7.802 22 H SER 6 H SER 6 -1.455 -10.009 6.108 23 HA SER 6 HA SER 6 0.518 -9.105 6.149 24 1HB SER 6 1HB SER 6 1.174 -11.980 5.887 25 2HB SER 6 2HB SER 6 2.452 -10.926 5.316 26 HG SER 6 HG SER 6 2.969 -10.650 7.368 27 H GLY 7 H GLY 7 1.182 -11.476 3.478 28 1HA GLY 7 1HA GLY 7 2.504 -9.932 1.736 29 2HA GLY 7 2HA GLY 7 1.355 -11.158 1.239 30 H LEU 8 H LEU 8 -1.128 -10.201 1.828 31 HA LEU 8 HA LEU 8 -1.680 -8.453 -0.194 32 1HB LEU 8 1HB LEU 8 -3.155 -9.086 2.356 33 2HB LEU 8 2HB LEU 8 -3.824 -8.047 1.113 34 HG LEU 8 HG LEU 8 -3.093 -10.973 0.844 35 1HD1 LEU 8 1HD1 LEU 8 -5.189 -11.382 1.431 36 2HD1 LEU 8 2HD1 LEU 8 -5.465 -9.641 1.681 37 3HD1 LEU 8 3HD1 LEU 8 -5.776 -10.373 0.088 38 1HD2 LEU 8 1HD2 LEU 8 -2.497 -10.022 -1.239 39 2HD2 LEU 8 2HD2 LEU 8 -4.111 -10.738 -1.463 40 3HD2 LEU 8 3HD2 LEU 8 -3.939 -8.978 -1.263 41 H LYS 9 H LYS 9 -1.263 -7.687 3.330 42 HA LYS 9 HA LYS 9 -1.684 -4.982 3.156 43 1HB LYS 9 1HB LYS 9 -0.412 -6.854 5.028 44 2HB LYS 9 2HB LYS 9 0.266 -5.240 5.100 45 1HG LYS 9 1HG LYS 9 -1.878 -4.242 5.566 46 2HG LYS 9 2HG LYS 9 -2.745 -5.692 5.101 47 1HD LYS 9 1HD LYS 9 -0.864 -6.385 7.192 48 2HD LYS 9 2HD LYS 9 -1.764 -4.972 7.707 49 1HE LYS 9 1HE LYS 9 -3.660 -6.189 8.033 50 2HE LYS 9 2HE LYS 9 -3.556 -6.907 6.438 51 1HZ LYS 9 1HZ LYS 9 -1.847 -8.403 7.375 52 2HZ LYS 9 2HZ LYS 9 -2.176 -7.814 8.863 53 3HZ LYS 9 3HZ LYS 9 -3.331 -8.608 8.025 54 H GLN 10 H GLN 10 1.578 -6.595 3.186 55 HA GLN 10 HA GLN 10 3.034 -4.419 2.576 56 1HB GLN 10 1HB GLN 10 3.518 -7.127 2.832 57 2HB GLN 10 2HB GLN 10 3.901 -6.873 1.141 58 1HG GLN 10 1HG GLN 10 5.250 -4.769 2.043 59 2HG GLN 10 2HG GLN 10 5.181 -5.609 3.580 60 1HE2 GLN 10 1HE2 GLN 10 6.514 -5.496 0.411 61 2HE2 GLN 10 2HE2 GLN 10 7.634 -6.811 0.540 62 H LYS 11 H LYS 11 1.076 -6.451 0.373 63 HA LYS 11 HA LYS 11 2.105 -5.292 -2.001 64 1HB LYS 11 1HB LYS 11 -0.324 -6.977 -1.363 65 2HB LYS 11 2HB LYS 11 0.001 -6.379 -2.978 66 1HG LYS 11 1HG LYS 11 1.745 -7.834 -3.312 67 2HG LYS 11 2HG LYS 11 2.365 -7.625 -1.686 68 1HD LYS 11 1HD LYS 11 1.424 -9.584 -1.048 69 2HD LYS 11 2HD LYS 11 -0.166 -8.978 -1.465 70 1HE LYS 11 1HE LYS 11 0.185 -9.668 -3.842 71 2HE LYS 11 2HE LYS 11 1.787 -10.254 -3.441 72 1HZ LYS 11 1HZ LYS 11 -0.141 -11.882 -3.435 73 2HZ LYS 11 2HZ LYS 11 0.912 -11.956 -2.190 74 3HZ LYS 11 3HZ LYS 11 -0.543 -11.244 -1.986 75 H VAL 12 H VAL 12 -1.212 -5.024 -0.533 76 HA VAL 12 HA VAL 12 -2.056 -2.899 -2.012 77 HB VAL 12 HB VAL 12 -2.643 -3.510 0.892 78 1HG1 VAL 12 1HG1 VAL 12 -3.863 -1.632 0.813 79 2HG1 VAL 12 2HG1 VAL 12 -3.661 -1.477 -0.949 80 3HG1 VAL 12 3HG1 VAL 12 -4.950 -2.512 -0.288 81 1HG2 VAL 12 1HG2 VAL 12 -3.309 -5.473 -0.037 82 2HG2 VAL 12 2HG2 VAL 12 -4.749 -4.518 -0.464 83 3HG2 VAL 12 3HG2 VAL 12 -3.465 -4.778 -1.668 84 H GLU 13 H GLU 13 0.379 -2.992 0.519 85 HA GLU 13 HA GLU 13 0.224 -0.324 1.284 86 1HB GLU 13 1HB GLU 13 2.057 -2.599 1.649 87 2HB GLU 13 2HB GLU 13 2.912 -1.071 1.579 88 1HG GLU 13 1HG GLU 13 0.441 -1.401 3.322 89 2HG GLU 13 2HG GLU 13 2.023 -1.888 3.900 90 H ASN 14 H ASN 14 2.702 -1.924 -0.857 91 HA ASN 14 HA ASN 14 3.816 0.405 -1.742 92 1HB ASN 14 1HB ASN 14 3.659 -2.428 -2.735 93 2HB ASN 14 2HB ASN 14 4.161 -1.238 -3.919 94 1HD2 ASN 14 1HD2 ASN 14 5.076 -3.190 -1.337 95 2HD2 ASN 14 2HD2 ASN 14 6.666 -2.572 -1.037 96 H LEU 15 H LEU 15 0.877 -1.364 -2.737 97 HA LEU 15 HA LEU 15 0.446 -0.359 -5.248 98 1HB LEU 15 1HB LEU 15 -1.026 -1.984 -4.686 99 2HB LEU 15 2HB LEU 15 -1.230 -1.409 -3.043 100 HG LEU 15 HG LEU 15 -2.713 0.370 -3.797 101 1HD1 LEU 15 1HD1 LEU 15 -3.182 0.922 -5.976 102 2HD1 LEU 15 2HD1 LEU 15 -1.470 0.454 -6.109 103 3HD1 LEU 15 3HD1 LEU 15 -2.745 -0.687 -6.599 104 1HD2 LEU 15 1HD2 LEU 15 -3.835 -1.627 -3.218 105 2HD2 LEU 15 2HD2 LEU 15 -4.566 -1.077 -4.745 106 3HD2 LEU 15 3HD2 LEU 15 -3.392 -2.415 -4.751 107 H PHE 16 H PHE 16 -0.978 1.005 -2.189 108 HA PHE 16 HA PHE 16 -1.940 3.309 -3.315 109 1HB PHE 16 1HB PHE 16 -0.689 2.722 -0.565 110 2HB PHE 16 2HB PHE 16 -1.659 4.146 -0.887 111 HD1 PHE 16 1HD PHE 16 -3.834 2.988 -2.539 112 HD2 PHE 16 2HD PHE 16 -1.954 1.507 0.965 113 HE1 PHE 16 1HE PHE 16 -5.911 1.701 -1.968 114 HE2 PHE 16 2HE PHE 16 -4.031 0.220 1.536 115 HZ PHE 16 HZ PHE 16 -5.986 0.333 0.062 116 H ASN 17 H ASN 17 1.229 2.874 -1.575 117 HA ASN 17 HA ASN 17 2.170 5.367 -1.813 118 1HB ASN 17 1HB ASN 17 3.376 2.643 -1.677 119 2HB ASN 17 2HB ASN 17 4.452 3.852 -2.349 120 1HD2 ASN 17 1HD2 ASN 17 2.283 3.167 0.362 121 2HD2 ASN 17 2HD2 ASN 17 3.126 4.080 1.568 122 H GLU 18 H GLU 18 2.032 2.755 -4.283 123 HA GLU 18 HA GLU 18 3.664 4.043 -6.152 124 1HB GLU 18 1HB GLU 18 1.932 1.654 -6.034 125 2HB GLU 18 2HB GLU 18 1.962 2.390 -7.624 126 1HG GLU 18 1HG GLU 18 4.661 2.341 -6.528 127 2HG GLU 18 2HG GLU 18 3.963 0.736 -6.430 128 H LYS 19 H LYS 19 0.050 3.567 -6.111 129 HA LYS 19 HA LYS 19 -0.503 5.233 -8.229 130 1HB LYS 19 1HB LYS 19 -2.199 4.653 -5.782 131 2HB LYS 19 2HB LYS 19 -2.785 5.325 -7.290 132 1HG LYS 19 1HG LYS 19 -1.437 2.601 -6.971 133 2HG LYS 19 2HG LYS 19 -3.157 2.864 -7.179 134 1HD LYS 19 1HD LYS 19 -2.021 4.287 -9.321 135 2HD LYS 19 2HD LYS 19 -1.007 2.862 -9.200 136 1HE LYS 19 1HE LYS 19 -2.630 1.553 -10.100 137 2HE LYS 19 2HE LYS 19 -3.788 2.070 -8.890 138 1HZ LYS 19 1HZ LYS 19 -3.531 4.201 -10.548 139 2HZ LYS 19 2HZ LYS 19 -3.522 2.924 -11.566 140 3HZ LYS 19 3HZ LYS 19 -4.770 3.137 -10.533 141 H CYS 20 H CYS 20 0.433 5.985 -4.907 142 HA CYS 20 HA CYS 20 -0.582 8.505 -4.634 143 1HB CYS 20 1HB CYS 20 0.712 7.124 -2.932 144 2HB CYS 20 2HB CYS 20 2.183 7.683 -3.703 145 HG CYS 20 HG CYS 20 1.657 10.251 -3.493 146 H GLY 21 H GLY 21 2.857 7.782 -5.598 147 1HA GLY 21 1HA GLY 21 3.518 10.258 -6.573 148 2HA GLY 21 2HA GLY 21 4.212 8.743 -7.115 149 H GLU 22 H GLU 22 1.902 7.508 -8.289 150 HA GLU 22 HA GLU 22 2.019 8.565 -10.809 151 1HB GLU 22 1HB GLU 22 1.029 6.275 -9.710 152 2HB GLU 22 2HB GLU 22 -0.479 7.099 -10.053 153 1HG GLU 22 1HG GLU 22 1.004 7.530 -12.389 154 2HG GLU 22 2HG GLU 22 1.477 5.908 -11.925 155 H ALA 23 H ALA 23 -0.168 9.293 -8.083 156 HA ALA 23 HA ALA 23 -2.196 10.582 -9.443 157 1HB ALA 23 1HB ALA 23 -2.710 11.576 -7.308 158 2HB ALA 23 2HB ALA 23 -2.075 9.943 -6.996 159 3HB ALA 23 3HB ALA 23 -1.036 11.365 -6.743 160 H LEU 24 H LEU 24 0.811 12.010 -7.974 161 HA LEU 24 HA LEU 24 0.325 14.569 -9.017 162 1HB LEU 24 1HB LEU 24 2.862 13.239 -8.060 163 2HB LEU 24 2HB LEU 24 2.722 14.942 -8.446 164 HG LEU 24 HG LEU 24 0.634 14.465 -6.638 165 1HD1 LEU 24 1HD1 LEU 24 3.030 12.777 -6.016 166 2HD1 LEU 24 2HD1 LEU 24 2.145 13.567 -4.690 167 3HD1 LEU 24 3HD1 LEU 24 1.299 12.441 -5.778 168 1HD2 LEU 24 1HD2 LEU 24 2.129 16.467 -6.897 169 2HD2 LEU 24 2HD2 LEU 24 1.804 15.978 -5.216 170 3HD2 LEU 24 3HD2 LEU 24 3.366 15.583 -5.972 171 H GLY 25 H GLY 25 1.179 11.624 -10.539 172 1HA GLY 25 1HA GLY 25 1.310 11.394 -12.843 173 2HA GLY 25 2HA GLY 25 1.782 13.073 -13.005 174 H LEU 26 H LEU 26 3.097 10.376 -10.952 175 HA LEU 26 HA LEU 26 5.655 10.766 -12.339 176 1HB LEU 26 1HB LEU 26 5.251 10.283 -9.384 177 2HB LEU 26 2HB LEU 26 6.792 10.391 -10.211 178 HG LEU 26 HG LEU 26 4.769 12.631 -9.932 179 1HD1 LEU 26 1HD1 LEU 26 5.692 13.068 -7.967 180 2HD1 LEU 26 2HD1 LEU 26 6.769 11.661 -8.141 181 3HD1 LEU 26 3HD1 LEU 26 7.279 13.254 -8.750 182 1HD2 LEU 26 1HD2 LEU 26 6.006 12.762 -12.051 183 2HD2 LEU 26 2HD2 LEU 26 6.446 14.078 -10.938 184 3HD2 LEU 26 3HD2 LEU 26 7.542 12.692 -11.155 185 H LYS 27 H LYS 27 7.131 8.788 -12.040 186 HA LYS 27 HA LYS 27 5.431 6.411 -12.288 187 1HB LYS 27 1HB LYS 27 8.027 7.228 -13.582 188 2HB LYS 27 2HB LYS 27 7.566 5.541 -13.488 189 1HG LYS 27 1HG LYS 27 5.222 6.503 -14.415 190 2HG LYS 27 2HG LYS 27 6.254 7.788 -15.010 191 1HD LYS 27 1HD LYS 27 7.277 5.022 -15.493 192 2HD LYS 27 2HD LYS 27 5.801 5.426 -16.348 193 1HE LYS 27 1HE LYS 27 6.820 7.230 -17.525 194 2HE LYS 27 2HE LYS 27 8.137 7.363 -16.377 195 1HZ LYS 27 1HZ LYS 27 8.565 4.938 -17.188 196 2HZ LYS 27 2HZ LYS 27 7.780 5.456 -18.523 197 3HZ LYS 27 3HZ LYS 27 9.136 6.219 -18.025 198 H GLN 28 H GLN 28 6.642 7.855 -9.814 199 HA GLN 28 HA GLN 28 8.036 5.483 -8.841 200 1HB GLN 28 1HB GLN 28 8.931 7.359 -7.117 201 2HB GLN 28 2HB GLN 28 9.755 6.990 -8.619 202 1HG GLN 28 1HG GLN 28 7.550 9.064 -8.626 203 2HG GLN 28 2HG GLN 28 9.128 9.504 -8.004 204 1HE2 GLN 28 1HE2 GLN 28 9.926 10.775 -9.530 205 2HE2 GLN 28 2HE2 GLN 28 10.168 10.355 -11.193 206 H ALA 29 H ALA 29 7.961 5.607 -6.202 207 HA ALA 29 HA ALA 29 5.105 5.823 -5.611 208 1HB ALA 29 1HB ALA 29 7.128 4.534 -3.793 209 2HB ALA 29 2HB ALA 29 5.426 4.103 -4.085 210 3HB ALA 29 3HB ALA 29 6.665 3.701 -5.297 211 H VAL 30 H VAL 30 4.502 6.665 -3.415 212 HA VAL 30 HA VAL 30 6.403 8.247 -2.013 213 HB VAL 30 HB VAL 30 6.238 9.851 -3.673 214 1HG1 VAL 30 1HG1 VAL 30 4.089 10.551 -4.733 215 2HG1 VAL 30 2HG1 VAL 30 4.525 8.855 -5.057 216 3HG1 VAL 30 3HG1 VAL 30 3.270 9.237 -3.854 217 1HG2 VAL 30 1HG2 VAL 30 5.008 11.712 -2.719 218 2HG2 VAL 30 2HG2 VAL 30 3.994 10.599 -1.768 219 3HG2 VAL 30 3HG2 VAL 30 5.732 10.747 -1.409 220 H LYS 31 H LYS 31 5.780 8.141 0.084 221 HA LYS 31 HA LYS 31 3.689 6.781 1.025 222 1HB LYS 31 1HB LYS 31 5.689 8.281 2.122 223 2HB LYS 31 2HB LYS 31 4.286 9.220 2.590 224 1HG LYS 31 1HG LYS 31 3.323 6.764 3.200 225 2HG LYS 31 2HG LYS 31 5.032 6.406 3.354 226 1HD LYS 31 1HD LYS 31 3.890 8.880 4.687 227 2HD LYS 31 2HD LYS 31 3.685 7.314 5.446 228 1HE LYS 31 1HE LYS 31 6.249 7.009 5.163 229 2HE LYS 31 2HE LYS 31 6.305 8.715 4.765 230 1HZ LYS 31 1HZ LYS 31 4.770 8.315 7.076 231 2HZ LYS 31 2HZ LYS 31 6.230 7.609 7.264 232 3HZ LYS 31 3HZ LYS 31 6.133 9.196 6.892 233 H VAL 32 H VAL 32 1.582 7.354 1.977 234 HA VAL 32 HA VAL 32 0.369 9.608 0.530 235 HB VAL 32 HB VAL 32 -0.828 6.934 1.283 236 1HG1 VAL 32 1HG1 VAL 32 -2.120 9.402 0.914 237 2HG1 VAL 32 2HG1 VAL 32 -2.361 8.510 -0.607 238 3HG1 VAL 32 3HG1 VAL 32 -2.863 7.785 0.939 239 1HG2 VAL 32 1HG2 VAL 32 -0.495 6.204 -0.844 240 2HG2 VAL 32 2HG2 VAL 32 -0.671 7.829 -1.549 241 3HG2 VAL 32 3HG2 VAL 32 0.862 7.354 -0.778 242 HA PRO 33 HA PRO 33 -0.400 10.957 4.604 243 1HB PRO 33 1HB PRO 33 -1.558 13.351 3.975 244 2HB PRO 33 2HB PRO 33 0.176 13.124 4.083 245 1HG PRO 33 1HG PRO 33 -1.511 13.394 1.671 246 2HG PRO 33 2HG PRO 33 0.223 13.593 1.825 247 1HD PRO 33 1HD PRO 33 -1.154 11.333 0.718 248 2HD PRO 33 2HD PRO 33 0.573 11.484 0.978 249 H PHE 34 H PHE 34 -1.881 8.963 4.479 250 HA PHE 34 HA PHE 34 -4.464 9.046 3.818 251 1HB PHE 34 1HB PHE 34 -3.022 8.021 6.325 252 2HB PHE 34 2HB PHE 34 -4.706 7.630 6.036 253 HD1 PHE 34 1HD PHE 34 -3.198 7.844 2.904 254 HD2 PHE 34 2HD PHE 34 -3.408 5.307 6.300 255 HE1 PHE 34 1HE PHE 34 -2.503 5.891 1.489 256 HE2 PHE 34 2HE PHE 34 -2.713 3.355 4.884 257 HZ PHE 34 HZ PHE 34 -2.268 3.670 2.496 258 H ALA 35 H ALA 35 -2.921 10.892 6.418 259 HA ALA 35 HA ALA 35 -5.221 11.448 7.917 260 1HB ALA 35 1HB ALA 35 -3.408 12.081 9.128 261 2HB ALA 35 2HB ALA 35 -2.430 12.401 7.676 262 3HB ALA 35 3HB ALA 35 -3.578 13.627 8.263 263 H LEU 36 H LEU 36 -3.547 13.302 5.278 264 HA LEU 36 HA LEU 36 -5.234 15.449 5.190 265 1HB LEU 36 1HB LEU 36 -3.449 14.060 3.269 266 2HB LEU 36 2HB LEU 36 -4.608 15.187 2.593 267 HG LEU 36 HG LEU 36 -3.663 16.818 4.436 268 1HD1 LEU 36 1HD1 LEU 36 -1.601 16.420 5.324 269 2HD1 LEU 36 2HD1 LEU 36 -2.209 14.749 5.239 270 3HD1 LEU 36 3HD1 LEU 36 -1.100 15.356 3.987 271 1HD2 LEU 36 1HD2 LEU 36 -1.591 16.800 2.475 272 2HD2 LEU 36 2HD2 LEU 36 -3.118 16.336 1.685 273 3HD2 LEU 36 3HD2 LEU 36 -3.014 17.863 2.594 274 H PHE 37 H PHE 37 -5.630 12.190 3.701 275 HA PHE 37 HA PHE 37 -7.977 12.845 2.306 276 1HB PHE 37 1HB PHE 37 -6.740 10.277 3.455 277 2HB PHE 37 2HB PHE 37 -8.175 10.235 2.449 278 HD1 PHE 37 1HD PHE 37 -4.584 11.095 2.483 279 HD2 PHE 37 2HD PHE 37 -8.022 10.427 0.086 280 HE1 PHE 37 1HE PHE 37 -3.143 11.047 0.429 281 HE2 PHE 37 2HE PHE 37 -6.580 10.380 -1.969 282 HZ PHE 37 HZ PHE 37 -4.158 10.690 -1.773 283 H GLU 38 H GLU 38 -7.335 12.414 5.681 284 HA GLU 38 HA GLU 38 -10.080 11.634 6.179 285 1HB GLU 38 1HB GLU 38 -7.643 11.845 7.995 286 2HB GLU 38 2HB GLU 38 -9.248 11.472 8.591 287 1HG GLU 38 1HG GLU 38 -8.659 9.772 6.304 288 2HG GLU 38 2HG GLU 38 -7.341 9.667 7.455 289 H SER 39 H SER 39 -7.658 14.155 7.176 290 HA SER 39 HA SER 39 -9.621 15.702 8.461 291 1HB SER 39 1HB SER 39 -6.750 16.158 7.611 292 2HB SER 39 2HB SER 39 -7.698 17.496 8.229 293 HG SER 39 HG SER 39 -8.191 15.936 10.098 294 H PHE 40 H PHE 40 -8.297 15.485 5.165 295 HA PHE 40 HA PHE 40 -10.156 17.617 4.387 296 1HB PHE 40 1HB PHE 40 -7.473 16.923 3.070 297 2HB PHE 40 2HB PHE 40 -8.433 18.362 2.791 298 HD1 PHE 40 1HD PHE 40 -5.574 17.205 4.331 299 HD2 PHE 40 2HD PHE 40 -8.900 19.726 5.095 300 HE1 PHE 40 1HE PHE 40 -4.246 18.429 6.074 301 HE2 PHE 40 2HE PHE 40 -7.572 20.951 6.838 302 HZ PHE 40 HZ PHE 40 -5.261 20.287 7.306 303 HA PRO 41 HA PRO 41 -10.969 13.786 2.073 304 1HB PRO 41 1HB PRO 41 -13.610 13.500 2.714 305 2HB PRO 41 2HB PRO 41 -12.321 12.684 3.576 306 1HG PRO 41 1HG PRO 41 -13.928 15.018 4.420 307 2HG PRO 41 2HG PRO 41 -12.955 13.942 5.403 308 1HD PRO 41 1HD PRO 41 -12.264 16.598 4.569 309 2HD PRO 41 2HD PRO 41 -11.246 15.479 5.453 310 H GLU 42 H GLU 42 -12.405 16.882 2.272 311 HA GLU 42 HA GLU 42 -13.728 16.487 -0.252 312 1HB GLU 42 1HB GLU 42 -13.755 18.550 1.912 313 2HB GLU 42 2HB GLU 42 -14.059 19.145 0.292 314 1HG GLU 42 1HG GLU 42 -15.803 17.270 0.047 315 2HG GLU 42 2HG GLU 42 -15.596 16.956 1.759 316 H ASP 43 H ASP 43 -10.939 16.096 -0.441 317 HA ASP 43 HA ASP 43 -10.354 18.026 -2.411 318 1HB ASP 43 1HB ASP 43 -8.559 17.911 0.059 319 2HB ASP 43 2HB ASP 43 -8.205 18.811 -1.402 320 H PHE 44 H PHE 44 -9.123 15.525 -0.093 321 HA PHE 44 HA PHE 44 -7.627 14.333 -2.321 322 1HB PHE 44 1HB PHE 44 -7.302 14.083 0.730 323 2HB PHE 44 2HB PHE 44 -6.218 13.384 -0.456 324 HD1 PHE 44 1HD PHE 44 -5.556 15.403 -2.306 325 HD2 PHE 44 2HD PHE 44 -6.334 15.841 1.843 326 HE1 PHE 44 1HE PHE 44 -4.166 17.493 -2.266 327 HE2 PHE 44 2HE PHE 44 -4.943 17.931 1.883 328 HZ PHE 44 HZ PHE 44 -3.876 18.732 -0.172 329 H TYR 45 H TYR 45 -8.577 12.535 -3.143 330 HA TYR 45 HA TYR 45 -9.525 10.506 -1.348 331 1HB TYR 45 1HB TYR 45 -11.827 10.569 -2.466 332 2HB TYR 45 2HB TYR 45 -11.508 12.001 -1.507 333 HD1 TYR 45 1HD TYR 45 -11.034 14.169 -2.598 334 HD2 TYR 45 2HD TYR 45 -12.003 10.686 -4.886 335 HE1 TYR 45 1HE TYR 45 -11.507 15.625 -4.628 336 HE2 TYR 45 2HE TYR 45 -12.472 12.153 -6.908 337 HH TYR 45 HH TYR 45 -13.140 15.183 -6.818 338 H VAL 46 H VAL 46 -9.822 8.459 -2.415 339 HA VAL 46 HA VAL 46 -8.681 8.463 -5.120 340 HB VAL 46 HB VAL 46 -8.597 6.457 -2.866 341 1HG1 VAL 46 1HG1 VAL 46 -7.443 4.918 -4.319 342 2HG1 VAL 46 2HG1 VAL 46 -8.999 5.342 -5.071 343 3HG1 VAL 46 3HG1 VAL 46 -7.492 6.079 -5.667 344 1HG2 VAL 46 1HG2 VAL 46 -6.791 7.727 -2.387 345 2HG2 VAL 46 2HG2 VAL 46 -6.033 6.820 -3.719 346 3HG2 VAL 46 3HG2 VAL 46 -6.723 8.433 -4.020 347 H GLU 47 H GLU 47 -9.875 7.659 -6.797 348 HA GLU 47 HA GLU 47 -12.489 6.629 -6.045 349 1HB GLU 47 1HB GLU 47 -11.447 8.125 -8.457 350 2HB GLU 47 2HB GLU 47 -12.888 7.140 -8.616 351 1HG GLU 47 1HG GLU 47 -12.971 8.808 -6.189 352 2HG GLU 47 2HG GLU 47 -12.766 9.777 -7.634 353 H GLY 48 H GLY 48 -13.417 4.974 -7.728 354 1HA GLY 48 1HA GLY 48 -13.052 3.200 -9.192 355 2HA GLY 48 2HA GLY 48 -11.331 3.263 -8.869 356 H LEU 49 H LEU 49 -11.616 3.449 -5.910 357 HA LEU 49 HA LEU 49 -11.319 0.890 -5.172 358 1HB LEU 49 1HB LEU 49 -12.381 3.285 -3.714 359 2HB LEU 49 2HB LEU 49 -12.291 1.732 -2.907 360 HG LEU 49 HG LEU 49 -9.888 2.973 -4.255 361 1HD1 LEU 49 1HD1 LEU 49 -9.365 4.269 -2.468 362 2HD1 LEU 49 2HD1 LEU 49 -11.138 4.322 -2.315 363 3HD1 LEU 49 3HD1 LEU 49 -10.190 3.204 -1.304 364 1HD2 LEU 49 1HD2 LEU 49 -9.634 1.231 -1.874 365 2HD2 LEU 49 2HD2 LEU 49 -10.223 0.447 -3.359 366 3HD2 LEU 49 3HD2 LEU 49 -8.662 1.303 -3.363 367 HA PRO 50 HA PRO 50 -15.154 -1.075 -5.414 368 1HB PRO 50 1HB PRO 50 -14.862 -3.091 -3.592 369 2HB PRO 50 2HB PRO 50 -14.187 -3.155 -5.208 370 1HG PRO 50 1HG PRO 50 -12.804 -2.675 -2.640 371 2HG PRO 50 2HG PRO 50 -12.123 -3.160 -4.180 372 1HD PRO 50 1HD PRO 50 -12.030 -0.543 -3.011 373 2HD PRO 50 2HD PRO 50 -11.452 -1.002 -4.600 374 H GLU 51 H GLU 51 -17.185 -0.598 -4.852 375 HA GLU 51 HA GLU 51 -17.759 1.104 -2.917 376 1HB GLU 51 1HB GLU 51 -19.231 -0.788 -4.519 377 2HB GLU 51 2HB GLU 51 -19.912 -0.804 -2.905 378 1HG GLU 51 1HG GLU 51 -21.059 1.060 -3.536 379 2HG GLU 51 2HG GLU 51 -19.545 1.918 -3.332 380 H GLY 52 H GLY 52 -17.961 1.181 -0.688 381 1HA GLY 52 1HA GLY 52 -18.298 0.334 1.428 382 2HA GLY 52 2HA GLY 52 -18.150 -1.303 0.821 383 H VAL 53 H VAL 53 -15.614 -0.174 -0.746 384 HA VAL 53 HA VAL 53 -13.819 -0.555 1.544 385 HB VAL 53 HB VAL 53 -13.361 -1.031 -1.408 386 1HG1 VAL 53 1HG1 VAL 53 -11.584 -1.002 0.947 387 2HG1 VAL 53 2HG1 VAL 53 -11.451 -2.462 -0.063 388 3HG1 VAL 53 3HG1 VAL 53 -11.202 -0.854 -0.785 389 1HG2 VAL 53 1HG2 VAL 53 -14.117 -3.131 -1.185 390 2HG2 VAL 53 2HG2 VAL 53 -13.288 -3.355 0.374 391 3HG2 VAL 53 3HG2 VAL 53 -14.885 -2.570 0.320 392 HA PRO 54 HA PRO 54 -13.011 3.697 0.678 393 1HB PRO 54 1HB PRO 54 -11.964 4.313 3.127 394 2HB PRO 54 2HB PRO 54 -13.675 4.414 2.763 395 1HG PRO 54 1HG PRO 54 -12.233 2.373 4.341 396 2HG PRO 54 2HG PRO 54 -13.948 2.733 4.318 397 1HD PRO 54 1HD PRO 54 -12.641 0.521 3.042 398 2HD PRO 54 2HD PRO 54 -14.337 0.946 2.924 399 H PHE 55 H PHE 55 -10.916 5.164 1.348 400 HA PHE 55 HA PHE 55 -8.765 3.539 0.217 401 1HB PHE 55 1HB PHE 55 -9.455 5.613 -0.988 402 2HB PHE 55 2HB PHE 55 -9.341 6.547 0.491 403 HD1 PHE 55 1HD PHE 55 -7.160 4.339 -1.595 404 HD2 PHE 55 2HD PHE 55 -7.471 7.859 0.753 405 HE1 PHE 55 1HE PHE 55 -4.779 4.913 -2.142 406 HE2 PHE 55 2HE PHE 55 -5.089 8.434 0.207 407 HZ PHE 55 HZ PHE 55 -3.771 6.954 -1.234 408 H ARG 56 H ARG 56 -9.276 3.040 2.934 409 HA ARG 56 HA ARG 56 -7.552 4.749 4.437 410 1HB ARG 56 1HB ARG 56 -9.473 2.531 4.997 411 2HB ARG 56 2HB ARG 56 -8.108 2.600 6.094 412 1HG ARG 56 1HG ARG 56 -9.621 5.145 5.446 413 2HG ARG 56 2HG ARG 56 -10.300 4.013 6.600 414 1HD ARG 56 1HD ARG 56 -7.483 4.381 7.207 415 2HD ARG 56 2HD ARG 56 -8.234 5.956 7.049 416 HE ARG 56 HE ARG 56 -9.997 4.376 8.604 417 1HH1 ARG 56 2HH2 ARG 56 -6.731 5.662 8.853 418 2HH1 ARG 56 1HH2 ARG 56 -6.761 5.752 10.583 419 1HH2 ARG 56 2HH1 ARG 56 -10.038 4.495 10.886 420 2HH2 ARG 56 1HH1 ARG 56 -8.655 5.084 11.747 421 H ARG 57 H ARG 57 -6.234 2.995 6.188 422 HA ARG 57 HA ARG 57 -4.173 2.078 4.473 423 1HB ARG 57 1HB ARG 57 -2.996 1.532 6.609 424 2HB ARG 57 2HB ARG 57 -3.641 3.161 6.633 425 1HG ARG 57 1HG ARG 57 -5.764 1.613 7.629 426 2HG ARG 57 2HG ARG 57 -4.349 0.843 8.317 427 1HD ARG 57 1HD ARG 57 -3.858 3.624 8.598 428 2HD ARG 57 2HD ARG 57 -5.555 3.430 8.992 429 HE ARG 57 HE ARG 57 -3.936 1.387 10.276 430 1HH1 ARG 57 2HH2 ARG 57 -4.939 4.751 10.522 431 2HH1 ARG 57 1HH2 ARG 57 -4.706 4.828 12.237 432 1HH2 ARG 57 2HH1 ARG 57 -3.629 1.488 12.538 433 2HH2 ARG 57 1HH1 ARG 57 -3.956 2.959 13.391 434 HA PRO 58 HA PRO 58 -5.379 -2.115 4.416 435 1HB PRO 58 1HB PRO 58 -3.015 -3.338 3.795 436 2HB PRO 58 2HB PRO 58 -4.033 -2.559 2.601 437 1HG PRO 58 1HG PRO 58 -1.492 -1.608 3.774 438 2HG PRO 58 2HG PRO 58 -2.291 -1.076 2.308 439 1HD PRO 58 1HD PRO 58 -2.240 0.292 4.828 440 2HD PRO 58 2HD PRO 58 -3.134 0.765 3.397 441 H SER 59 H SER 59 -3.360 -0.869 6.749 442 HA SER 59 HA SER 59 -2.999 -3.385 8.063 443 1HB SER 59 1HB SER 59 -2.420 -0.563 9.067 444 2HB SER 59 2HB SER 59 -1.839 -2.050 9.788 445 HG SER 59 HG SER 59 -0.433 -0.735 8.158 446 H THR 60 H THR 60 -5.611 -3.411 7.818 447 HA THR 60 HA THR 60 -6.647 -3.380 10.388 448 HB THR 60 HB THR 60 -6.406 -0.764 9.463 449 HG1 THR 60 1HG THR 60 -7.284 -0.645 11.498 450 1HG2 THR 60 1HG2 THR 60 -8.704 0.006 9.031 451 2HG2 THR 60 2HG2 THR 60 -8.269 -1.190 7.787 452 3HG2 THR 60 3HG2 THR 60 -9.318 -1.660 9.146 453 H PHE 61 H PHE 61 -7.244 -3.029 6.875 454 HA PHE 61 HA PHE 61 -9.837 -4.004 6.864 455 1HB PHE 61 1HB PHE 61 -7.440 -4.080 4.956 456 2HB PHE 61 2HB PHE 61 -8.981 -4.753 4.463 457 HD1 PHE 61 1HD PHE 61 -7.200 -2.222 3.566 458 HD2 PHE 61 2HD PHE 61 -10.845 -2.764 5.670 459 HE1 PHE 61 1HE PHE 61 -7.962 0.055 2.834 460 HE2 PHE 61 2HE PHE 61 -11.606 -0.487 4.938 461 HZ PHE 61 HZ PHE 61 -10.156 0.895 3.529 462 H GLY 62 H GLY 62 -10.132 -6.209 5.332 463 1HA GLY 62 1HA GLY 62 -9.068 -8.331 7.067 464 2HA GLY 62 2HA GLY 62 -10.501 -8.413 6.061 465 H ILE 63 H ILE 63 -8.694 -10.490 5.886 466 HA ILE 63 HA ILE 63 -6.634 -10.171 4.055 467 HB ILE 63 HB ILE 63 -8.343 -12.547 4.783 468 1HG1 ILE 63 1HG1 ILE 63 -5.485 -12.018 5.589 469 2HG1 ILE 63 2HG1 ILE 63 -6.821 -11.334 6.493 470 1HG2 ILE 63 1HG2 ILE 63 -5.702 -13.105 3.647 471 2HG2 ILE 63 2HG2 ILE 63 -7.277 -13.872 3.336 472 3HG2 ILE 63 3HG2 ILE 63 -6.836 -12.371 2.487 473 1HD1 ILE 63 1HD1 ILE 63 -7.617 -13.988 6.168 474 2HD1 ILE 63 2HD1 ILE 63 -5.857 -14.119 6.396 475 3HD1 ILE 63 3HD1 ILE 63 -6.855 -13.307 7.625 476 HA PRO 64 HA PRO 64 -9.956 -11.073 0.800 477 1HB PRO 64 1HB PRO 64 -12.587 -10.727 1.451 478 2HB PRO 64 2HB PRO 64 -11.793 -12.288 1.470 479 1HG PRO 64 1HG PRO 64 -12.567 -10.575 3.751 480 2HG PRO 64 2HG PRO 64 -12.174 -12.283 3.745 481 1HD PRO 64 1HD PRO 64 -10.487 -10.137 4.628 482 2HD PRO 64 2HD PRO 64 -10.054 -11.831 4.512 483 H ARG 65 H ARG 65 -11.298 -8.622 2.966 484 HA ARG 65 HA ARG 65 -12.107 -6.895 1.072 485 1HB ARG 65 1HB ARG 65 -11.846 -6.851 3.834 486 2HB ARG 65 2HB ARG 65 -10.711 -5.600 3.370 487 1HG ARG 65 1HG ARG 65 -12.728 -4.816 1.785 488 2HG ARG 65 2HG ARG 65 -13.698 -5.707 2.940 489 1HD ARG 65 1HD ARG 65 -11.641 -3.705 3.929 490 2HD ARG 65 2HD ARG 65 -13.200 -3.142 3.361 491 HE ARG 65 HE ARG 65 -12.680 -4.495 5.864 492 1HH1 ARG 65 2HH2 ARG 65 -15.107 -4.160 3.338 493 2HH1 ARG 65 1HH2 ARG 65 -16.432 -4.551 4.383 494 1HH2 ARG 65 2HH1 ARG 65 -14.428 -5.012 7.242 495 2HH2 ARG 65 1HH1 ARG 65 -16.043 -5.039 6.618 496 H LEU 66 H LEU 66 -8.793 -7.566 2.221 497 HA LEU 66 HA LEU 66 -7.549 -5.291 1.187 498 1HB LEU 66 1HB LEU 66 -6.674 -8.039 1.981 499 2HB LEU 66 2HB LEU 66 -5.551 -6.995 1.133 500 HG LEU 66 HG LEU 66 -6.974 -6.024 3.605 501 1HD1 LEU 66 1HD1 LEU 66 -4.265 -7.081 4.033 502 2HD1 LEU 66 2HD1 LEU 66 -5.727 -7.206 5.041 503 3HD1 LEU 66 3HD1 LEU 66 -5.490 -8.323 3.676 504 1HD2 LEU 66 1HD2 LEU 66 -4.918 -4.639 3.817 505 2HD2 LEU 66 2HD2 LEU 66 -4.359 -5.297 2.260 506 3HD2 LEU 66 3HD2 LEU 66 -5.848 -4.324 2.332 507 H GLU 67 H GLU 67 -7.915 -8.622 -0.220 508 HA GLU 67 HA GLU 67 -6.720 -8.018 -2.615 509 1HB GLU 67 1HB GLU 67 -8.642 -10.108 -1.642 510 2HB GLU 67 2HB GLU 67 -8.455 -9.953 -3.377 511 1HG GLU 67 1HG GLU 67 -5.851 -9.877 -2.016 512 2HG GLU 67 2HG GLU 67 -6.736 -11.336 -1.614 513 H LYS 68 H LYS 68 -10.124 -7.624 -1.520 514 HA LYS 68 HA LYS 68 -11.407 -7.145 -3.848 515 1HB LYS 68 1HB LYS 68 -11.726 -5.671 -1.217 516 2HB LYS 68 2HB LYS 68 -12.890 -5.648 -2.526 517 1HG LYS 68 1HG LYS 68 -12.584 -8.342 -2.290 518 2HG LYS 68 2HG LYS 68 -12.186 -7.882 -0.647 519 1HD LYS 68 1HD LYS 68 -14.347 -6.533 -0.573 520 2HD LYS 68 2HD LYS 68 -14.753 -7.186 -2.148 521 1HE LYS 68 1HE LYS 68 -14.704 -9.492 -1.250 522 2HE LYS 68 2HE LYS 68 -14.171 -8.903 0.312 523 1HZ LYS 68 1HZ LYS 68 -16.778 -8.971 -0.756 524 2HZ LYS 68 2HZ LYS 68 -16.302 -8.724 0.787 525 3HZ LYS 68 3HZ LYS 68 -16.405 -7.464 -0.248 526 H ILE 69 H ILE 69 -9.163 -4.958 -2.091 527 HA ILE 69 HA ILE 69 -9.645 -2.756 -3.808 528 HB ILE 69 HB ILE 69 -7.561 -3.448 -1.759 529 1HG1 ILE 69 1HG1 ILE 69 -9.149 -0.990 -1.506 530 2HG1 ILE 69 2HG1 ILE 69 -10.128 -2.443 -1.558 531 1HG2 ILE 69 1HG2 ILE 69 -7.280 -1.557 -3.934 532 2HG2 ILE 69 2HG2 ILE 69 -7.267 -0.732 -2.357 533 3HG2 ILE 69 3HG2 ILE 69 -6.110 -2.045 -2.685 534 1HD1 ILE 69 1HD1 ILE 69 -8.371 -3.394 0.170 535 2HD1 ILE 69 2HD1 ILE 69 -7.980 -1.677 0.430 536 3HD1 ILE 69 3HD1 ILE 69 -9.631 -2.269 0.732 537 H LEU 70 H LEU 70 -6.859 -5.075 -3.506 538 HA LEU 70 HA LEU 70 -5.361 -4.240 -5.583 539 1HB LEU 70 1HB LEU 70 -5.926 -6.944 -4.433 540 2HB LEU 70 2HB LEU 70 -4.911 -6.808 -5.855 541 HG LEU 70 HG LEU 70 -4.107 -4.935 -3.764 542 1HD1 LEU 70 1HD1 LEU 70 -3.157 -6.687 -2.254 543 2HD1 LEU 70 2HD1 LEU 70 -4.930 -6.545 -2.198 544 3HD1 LEU 70 3HD1 LEU 70 -4.172 -7.886 -3.091 545 1HD2 LEU 70 1HD2 LEU 70 -2.702 -7.142 -5.289 546 2HD2 LEU 70 2HD2 LEU 70 -2.695 -5.400 -5.652 547 3HD2 LEU 70 3HD2 LEU 70 -1.899 -6.005 -4.180 548 H ARG 71 H ARG 71 -8.173 -6.522 -5.789 549 HA ARG 71 HA ARG 71 -8.141 -7.158 -8.342 550 1HB ARG 71 1HB ARG 71 -10.310 -6.581 -6.380 551 2HB ARG 71 2HB ARG 71 -10.836 -6.542 -8.051 552 1HG ARG 71 1HG ARG 71 -10.291 -8.807 -8.425 553 2HG ARG 71 2HG ARG 71 -9.106 -8.847 -7.135 554 1HD ARG 71 1HD ARG 71 -10.747 -9.873 -5.915 555 2HD ARG 71 2HD ARG 71 -11.405 -8.261 -5.711 556 HE ARG 71 HE ARG 71 -12.406 -9.160 -8.179 557 1HH1 ARG 71 2HH2 ARG 71 -12.569 -10.212 -4.825 558 2HH1 ARG 71 1HH2 ARG 71 -14.124 -10.955 -5.000 559 1HH2 ARG 71 2HH1 ARG 71 -14.457 -10.139 -8.411 560 2HH2 ARG 71 1HH1 ARG 71 -15.205 -10.913 -7.053 561 H ASN 72 H ASN 72 -9.066 -3.962 -6.982 562 HA ASN 72 HA ASN 72 -9.379 -3.010 -9.717 563 1HB ASN 72 1HB ASN 72 -10.429 -1.928 -7.054 564 2HB ASN 72 2HB ASN 72 -10.527 -1.013 -8.546 565 1HD2 ASN 72 1HD2 ASN 72 -12.837 -1.345 -7.554 566 2HD2 ASN 72 2HD2 ASN 72 -13.776 -2.610 -8.275 567 H LYS 73 H LYS 73 -6.770 -3.294 -9.164 568 HA LYS 73 HA LYS 73 -5.761 -0.995 -7.729 569 1HB LYS 73 1HB LYS 73 -3.644 -2.036 -7.873 570 2HB LYS 73 2HB LYS 73 -4.792 -3.316 -7.535 571 1HG LYS 73 1HG LYS 73 -4.878 -3.464 -10.225 572 2HG LYS 73 2HG LYS 73 -3.291 -2.733 -10.084 573 1HD LYS 73 1HD LYS 73 -3.226 -4.747 -8.136 574 2HD LYS 73 2HD LYS 73 -4.154 -5.483 -9.427 575 1HE LYS 73 1HE LYS 73 -1.603 -4.010 -10.122 576 2HE LYS 73 2HE LYS 73 -1.490 -5.614 -9.427 577 1HZ LYS 73 1HZ LYS 73 -3.371 -5.924 -11.300 578 2HZ LYS 73 2HZ LYS 73 -2.387 -4.835 -12.016 579 3HZ LYS 73 3HZ LYS 73 -1.788 -6.267 -11.510 580 H ALA 74 H ALA 74 -6.526 -2.017 -11.003 581 HA ALA 74 HA ALA 74 -4.869 0.065 -12.158 582 1HB ALA 74 1HB ALA 74 -5.148 -2.250 -13.151 583 2HB ALA 74 2HB ALA 74 -6.838 -1.820 -13.506 584 3HB ALA 74 3HB ALA 74 -5.511 -0.910 -14.265 585 H LYS 75 H LYS 75 -8.293 -0.707 -11.422 586 HA LYS 75 HA LYS 75 -9.339 1.496 -12.857 587 1HB LYS 75 1HB LYS 75 -10.590 -0.067 -10.580 588 2HB LYS 75 2HB LYS 75 -11.427 0.940 -11.745 589 1HG LYS 75 1HG LYS 75 -10.414 -0.583 -13.578 590 2HG LYS 75 2HG LYS 75 -9.937 -1.664 -12.284 591 1HD LYS 75 1HD LYS 75 -12.101 -2.350 -11.863 592 2HD LYS 75 2HD LYS 75 -12.781 -0.765 -12.176 593 1HE LYS 75 1HE LYS 75 -12.066 -1.291 -14.698 594 2HE LYS 75 2HE LYS 75 -12.093 -2.955 -14.147 595 1HZ LYS 75 1HZ LYS 75 -14.318 -1.046 -13.965 596 2HZ LYS 75 2HZ LYS 75 -14.223 -2.332 -14.967 597 3HZ LYS 75 3HZ LYS 75 -14.352 -2.560 -13.355 598 H ILE 76 H ILE 76 -8.402 0.916 -9.418 599 HA ILE 76 HA ILE 76 -9.321 3.129 -8.215 600 HB ILE 76 HB ILE 76 -6.880 1.469 -7.928 601 1HG1 ILE 76 1HG1 ILE 76 -8.947 2.282 -5.875 602 2HG1 ILE 76 2HG1 ILE 76 -9.205 0.966 -7.002 603 1HG2 ILE 76 1HG2 ILE 76 -5.909 3.647 -7.577 604 2HG2 ILE 76 2HG2 ILE 76 -7.241 4.112 -6.492 605 3HG2 ILE 76 3HG2 ILE 76 -6.102 2.833 -6.006 606 1HD1 ILE 76 1HD1 ILE 76 -7.018 -0.061 -6.194 607 2HD1 ILE 76 2HD1 ILE 76 -6.978 1.195 -4.933 608 3HD1 ILE 76 3HD1 ILE 76 -8.305 0.010 -4.967 609 H LYS 77 H LYS 77 -8.666 5.313 -7.904 610 HA LYS 77 HA LYS 77 -6.514 6.300 -9.561 611 1HB LYS 77 1HB LYS 77 -8.807 6.186 -10.870 612 2HB LYS 77 2HB LYS 77 -9.174 7.631 -9.951 613 1HG LYS 77 1HG LYS 77 -7.412 8.870 -10.923 614 2HG LYS 77 2HG LYS 77 -6.498 7.437 -11.350 615 1HD LYS 77 1HD LYS 77 -7.940 6.922 -13.197 616 2HD LYS 77 2HD LYS 77 -9.206 7.987 -12.619 617 1HE LYS 77 1HE LYS 77 -7.784 9.972 -13.071 618 2HE LYS 77 2HE LYS 77 -6.459 8.937 -13.567 619 1HZ LYS 77 1HZ LYS 77 -8.611 8.132 -15.040 620 2HZ LYS 77 2HZ LYS 77 -8.692 9.763 -15.054 621 3HZ LYS 77 3HZ LYS 77 -7.338 9.008 -15.569 622 H PHE 78 H PHE 78 -5.455 7.934 -8.526 623 HA PHE 78 HA PHE 78 -6.588 8.764 -5.993 624 1HB PHE 78 1HB PHE 78 -3.921 8.877 -7.474 625 2HB PHE 78 2HB PHE 78 -4.160 9.940 -6.101 626 HD1 PHE 78 1HD PHE 78 -5.322 6.432 -6.549 627 HD2 PHE 78 2HD PHE 78 -2.745 9.082 -4.465 628 HE1 PHE 78 1HE PHE 78 -4.666 4.573 -4.995 629 HE2 PHE 78 2HE PHE 78 -2.089 7.223 -2.911 630 HZ PHE 78 HZ PHE 78 -3.058 4.991 -3.194 631 H ILE 79 H ILE 79 -7.181 10.869 -5.456 632 HA ILE 79 HA ILE 79 -7.007 12.806 -7.659 633 HB ILE 79 HB ILE 79 -9.248 12.577 -5.652 634 1HG1 ILE 79 1HG1 ILE 79 -9.139 10.579 -7.121 635 2HG1 ILE 79 2HG1 ILE 79 -10.591 11.535 -7.345 636 1HG2 ILE 79 1HG2 ILE 79 -9.628 14.668 -6.337 637 2HG2 ILE 79 2HG2 ILE 79 -8.501 14.526 -7.707 638 3HG2 ILE 79 3HG2 ILE 79 -10.171 13.931 -7.863 639 1HD1 ILE 79 1HD1 ILE 79 -8.104 11.673 -9.113 640 2HD1 ILE 79 2HD1 ILE 79 -9.628 10.852 -9.525 641 3HD1 ILE 79 3HD1 ILE 79 -9.592 12.622 -9.345 642 H ILE 80 H ILE 80 -6.128 14.781 -7.179 643 HA ILE 80 HA ILE 80 -5.804 15.434 -4.351 644 HB ILE 80 HB ILE 80 -3.534 15.627 -6.324 645 1HG1 ILE 80 1HG1 ILE 80 -4.398 13.350 -4.590 646 2HG1 ILE 80 2HG1 ILE 80 -3.682 13.335 -6.189 647 1HG2 ILE 80 1HG2 ILE 80 -3.287 15.615 -3.333 648 2HG2 ILE 80 2HG2 ILE 80 -2.210 16.317 -4.564 649 3HG2 ILE 80 3HG2 ILE 80 -3.760 17.105 -4.184 650 1HD1 ILE 80 1HD1 ILE 80 -1.580 14.390 -4.919 651 2HD1 ILE 80 2HD1 ILE 80 -2.338 13.618 -3.506 652 3HD1 ILE 80 3HD1 ILE 80 -1.863 12.633 -4.910 653 H LYS 81 H LYS 81 -6.883 17.313 -4.107 654 HA LYS 81 HA LYS 81 -6.895 19.150 -6.383 655 1HB LYS 81 1HB LYS 81 -8.660 19.177 -3.919 656 2HB LYS 81 2HB LYS 81 -8.856 20.136 -5.372 657 1HG LYS 81 1HG LYS 81 -9.088 17.970 -6.692 658 2HG LYS 81 2HG LYS 81 -9.059 17.096 -5.174 659 1HD LYS 81 1HD LYS 81 -11.106 18.152 -4.415 660 2HD LYS 81 2HD LYS 81 -11.058 19.333 -5.709 661 1HE LYS 81 1HE LYS 81 -11.024 16.524 -6.673 662 2HE LYS 81 2HE LYS 81 -12.472 16.936 -5.775 663 1HZ LYS 81 1HZ LYS 81 -12.962 18.632 -7.255 664 2HZ LYS 81 2HZ LYS 81 -11.458 18.686 -7.890 665 3HZ LYS 81 3HZ LYS 81 -12.442 17.427 -8.228 666 H LYS 82 H LYS 82 -5.040 18.493 -3.716 667 HA LYS 82 HA LYS 82 -4.115 21.233 -3.642 668 1HB LYS 82 1HB LYS 82 -5.204 19.808 -1.204 669 2HB LYS 82 2HB LYS 82 -4.095 21.160 -1.097 670 1HG LYS 82 1HG LYS 82 -5.888 22.250 -2.820 671 2HG LYS 82 2HG LYS 82 -6.957 21.116 -2.019 672 1HD LYS 82 1HD LYS 82 -6.641 22.119 0.114 673 2HD LYS 82 2HD LYS 82 -5.145 22.896 -0.362 674 1HE LYS 82 1HE LYS 82 -6.222 24.677 -1.374 675 2HE LYS 82 2HE LYS 82 -7.548 23.690 -1.954 676 1HZ LYS 82 1HZ LYS 82 -7.583 25.313 0.217 677 2HZ LYS 82 2HZ LYS 82 -8.717 24.204 -0.172 678 3HZ LYS 82 3HZ LYS 82 -7.516 23.815 0.865 679 HA PRO 83 HA PRO 83 -0.861 18.127 -3.676 680 1HB PRO 83 1HB PRO 83 0.570 19.155 -5.766 681 2HB PRO 83 2HB PRO 83 -0.643 17.905 -5.958 682 1HG PRO 83 1HG PRO 83 -0.819 20.777 -6.635 683 2HG PRO 83 2HG PRO 83 -1.824 19.454 -7.194 684 1HD PRO 83 1HD PRO 83 -2.507 21.407 -5.208 685 2HD PRO 83 2HD PRO 83 -3.462 20.017 -5.683 686 H GLU 84 H GLU 84 -0.858 21.573 -3.641 687 HA GLU 84 HA GLU 84 1.783 21.971 -3.025 688 1HB GLU 84 1HB GLU 84 1.100 24.148 -2.227 689 2HB GLU 84 2HB GLU 84 0.064 23.735 -3.578 690 1HG GLU 84 1HG GLU 84 -1.412 22.677 -1.527 691 2HG GLU 84 2HG GLU 84 -0.611 23.979 -0.671 692 H MET 85 H MET 85 -0.845 20.628 -1.103 693 HA MET 85 HA MET 85 0.628 21.019 1.342 694 1HB MET 85 1HB MET 85 -2.121 20.027 0.535 695 2HB MET 85 2HB MET 85 -1.501 19.516 2.093 696 1HG MET 85 1HG MET 85 -1.147 22.421 1.564 697 2HG MET 85 2HG MET 85 -2.824 21.913 1.613 698 1HE MET 85 1HE MET 85 -3.542 20.620 4.950 699 2HE MET 85 2HE MET 85 -3.733 20.367 3.198 700 3HE MET 85 3HE MET 85 -2.578 19.374 4.121 701 H PHE 86 H PHE 86 0.501 18.770 -1.231 702 HA PHE 86 HA PHE 86 1.005 16.453 0.412 703 1HB PHE 86 1HB PHE 86 0.199 17.163 -2.302 704 2HB PHE 86 2HB PHE 86 1.629 16.156 -2.419 705 HD1 PHE 86 1HD PHE 86 -1.605 16.212 -0.541 706 HD2 PHE 86 2HD PHE 86 1.295 13.886 -2.588 707 HE1 PHE 86 1HE PHE 86 -3.020 14.165 -0.220 708 HE2 PHE 86 2HE PHE 86 -0.120 11.839 -2.267 709 HZ PHE 86 HZ PHE 86 -2.261 12.002 -1.087 710 H GLU 87 H GLU 87 2.793 18.914 -1.422 711 HA GLU 87 HA GLU 87 5.080 17.741 -2.054 712 1HB GLU 87 1HB GLU 87 4.216 20.407 -1.457 713 2HB GLU 87 2HB GLU 87 5.766 20.189 -0.669 714 1HG GLU 87 1HG GLU 87 5.416 19.260 -3.531 715 2HG GLU 87 2HG GLU 87 5.655 20.965 -3.207 716 H THR 88 H THR 88 4.227 18.926 1.269 717 HA THR 88 HA THR 88 6.588 18.297 2.539 718 HB THR 88 HB THR 88 3.668 18.262 3.455 719 HG1 THR 88 1HG THR 88 4.876 20.232 2.589 720 1HG2 THR 88 1HG2 THR 88 5.822 17.209 4.912 721 2HG2 THR 88 2HG2 THR 88 5.779 18.912 5.426 722 3HG2 THR 88 3HG2 THR 88 4.337 17.887 5.620 723 H ALA 89 H ALA 89 3.840 16.147 1.684 724 HA ALA 89 HA ALA 89 4.912 13.929 3.090 725 1HB ALA 89 1HB ALA 89 3.017 13.751 0.743 726 2HB ALA 89 2HB ALA 89 3.060 12.775 2.231 727 3HB ALA 89 3HB ALA 89 2.480 14.457 2.285 728 H ILE 90 H ILE 90 4.869 14.959 -0.388 729 HA ILE 90 HA ILE 90 6.256 12.778 -1.377 730 HB ILE 90 HB ILE 90 6.094 15.642 -2.310 731 1HG1 ILE 90 1HG1 ILE 90 4.717 13.523 -3.811 732 2HG1 ILE 90 2HG1 ILE 90 4.130 13.705 -2.170 733 1HG2 ILE 90 1HG2 ILE 90 6.859 14.829 -4.495 734 2HG2 ILE 90 2HG2 ILE 90 8.102 14.623 -3.239 735 3HG2 ILE 90 3HG2 ILE 90 7.156 13.221 -3.793 736 1HD1 ILE 90 1HD1 ILE 90 3.804 16.142 -2.531 737 2HD1 ILE 90 2HD1 ILE 90 4.428 15.977 -4.190 738 3HD1 ILE 90 3HD1 ILE 90 2.899 15.189 -3.732 739 H LYS 91 H LYS 91 7.382 15.766 0.241 740 HA LYS 91 HA LYS 91 10.090 15.468 -0.386 741 1HB LYS 91 1HB LYS 91 8.464 17.023 1.561 742 2HB LYS 91 2HB LYS 91 10.160 16.817 1.949 743 1HG LYS 91 1HG LYS 91 10.348 17.445 -0.721 744 2HG LYS 91 2HG LYS 91 8.897 18.331 -0.297 745 1HD LYS 91 1HD LYS 91 10.038 19.610 1.395 746 2HD LYS 91 2HD LYS 91 11.416 18.527 1.400 747 1HE LYS 91 1HE LYS 91 12.214 19.323 -0.704 748 2HE LYS 91 2HE LYS 91 10.662 20.011 -1.140 749 1HZ LYS 91 1HZ LYS 91 12.618 21.436 -0.153 750 2HZ LYS 91 2HZ LYS 91 11.052 21.829 0.091 751 3HZ LYS 91 3HZ LYS 91 11.888 21.047 1.255 752 H GLU 92 H GLU 92 8.212 14.493 2.568 753 HA GLU 92 HA GLU 92 10.206 13.380 3.971 754 1HB GLU 92 1HB GLU 92 7.288 12.644 3.658 755 2HB GLU 92 2HB GLU 92 8.315 11.677 4.699 756 1HG GLU 92 1HG GLU 92 8.878 14.428 5.301 757 2HG GLU 92 2HG GLU 92 7.134 14.272 5.229 758 H SER 93 H SER 93 8.185 11.698 1.461 759 HA SER 93 HA SER 93 9.497 9.282 1.655 760 1HB SER 93 1HB SER 93 7.335 10.219 0.273 761 2HB SER 93 2HB SER 93 8.492 10.109 -1.038 762 HG SER 93 HG SER 93 8.854 7.831 0.180 763 H SER 94 H SER 94 11.214 8.322 0.403 764 HA SER 94 HA SER 94 12.547 9.928 -1.528 765 1HB SER 94 1HB SER 94 14.721 9.288 0.133 766 2HB SER 94 2HB SER 94 14.057 10.886 -0.146 767 HG SER 94 HG SER 94 12.830 10.758 1.724 768 H GLY 95 H GLY 95 12.930 7.142 0.782 769 1HA GLY 95 1HA GLY 95 12.864 5.183 -1.235 770 2HA GLY 95 2HA GLY 95 14.538 5.556 -0.872 771 HA PRO 96 HA PRO 96 12.621 2.811 2.387 772 1HB PRO 96 1HB PRO 96 13.088 0.291 1.440 773 2HB PRO 96 2HB PRO 96 11.540 1.099 1.291 774 1HG PRO 96 1HG PRO 96 13.592 0.626 -0.785 775 2HG PRO 96 2HG PRO 96 11.900 1.035 -0.987 776 1HD PRO 96 1HD PRO 96 14.140 2.801 -1.288 777 2HD PRO 96 2HD PRO 96 12.445 3.235 -1.376 778 H SER 97 H SER 97 15.443 2.009 0.439 779 HA SER 97 HA SER 97 17.029 2.384 2.786 780 1HB SER 97 1HB SER 97 18.016 0.201 2.875 781 2HB SER 97 2HB SER 97 16.282 -0.050 2.852 782 HG SER 97 HG SER 97 16.870 -0.059 0.303 783 H SER 98 H SER 98 19.488 1.976 2.125 784 HA SER 98 HA SER 98 19.825 3.419 -0.306 785 1HB SER 98 1HB SER 98 22.100 3.689 0.373 786 2HB SER 98 2HB SER 98 21.157 3.772 1.848 787 HG SER 98 HG SER 98 22.688 2.329 2.433 788 H GLY 99 H GLY 99 20.339 2.562 -2.302 789 1HA GLY 99 1HA GLY 99 21.349 -0.214 -2.370 790 2HA GLY 99 2HA GLY 99 20.007 0.299 -3.372 Start of MODEL 18 1 1H GLY 1 H GLY 1 8.199 -12.542 10.151 2 1HA GLY 1 1HA GLY 1 6.146 -14.648 10.480 3 2HA GLY 1 2HA GLY 1 6.707 -13.647 11.804 4 H SER 2 H SER 2 3.957 -13.842 10.827 5 HA SER 2 HA SER 2 3.383 -11.123 10.745 6 1HB SER 2 1HB SER 2 4.179 -11.725 8.293 7 2HB SER 2 2HB SER 2 2.592 -12.453 8.143 8 HG SER 2 HG SER 2 1.704 -10.510 7.984 9 H SER 3 H SER 3 2.155 -14.289 9.423 10 HA SER 3 HA SER 3 0.354 -15.433 9.813 11 1HB SER 3 1HB SER 3 0.842 -14.104 12.417 12 2HB SER 3 2HB SER 3 -0.819 -14.620 12.197 13 HG SER 3 HG SER 3 -0.197 -16.627 12.559 14 H GLY 4 H GLY 4 -1.645 -15.240 8.838 15 1HA GLY 4 1HA GLY 4 -3.821 -14.086 9.012 16 2HA GLY 4 2HA GLY 4 -2.933 -12.576 8.953 17 H SER 5 H SER 5 -3.980 -11.864 7.015 18 HA SER 5 HA SER 5 -4.260 -13.396 4.761 19 1HB SER 5 1HB SER 5 -5.475 -11.455 4.567 20 2HB SER 5 2HB SER 5 -4.287 -10.495 5.425 21 HG SER 5 HG SER 5 -3.594 -9.803 3.532 22 H SER 6 H SER 6 -1.865 -10.673 5.113 23 HA SER 6 HA SER 6 0.227 -10.498 4.532 24 1HB SER 6 1HB SER 6 -0.012 -13.345 4.918 25 2HB SER 6 2HB SER 6 0.987 -13.079 3.503 26 HG SER 6 HG SER 6 2.236 -11.521 4.871 27 H GLY 7 H GLY 7 1.648 -10.468 2.503 28 1HA GLY 7 1HA GLY 7 1.951 -10.437 0.252 29 2HA GLY 7 2HA GLY 7 0.463 -11.336 0.029 30 H LEU 8 H LEU 8 -1.649 -10.059 0.522 31 HA LEU 8 HA LEU 8 -1.861 -7.949 -1.191 32 1HB LEU 8 1HB LEU 8 -3.534 -8.532 1.256 33 2HB LEU 8 2HB LEU 8 -3.999 -7.483 -0.068 34 HG LEU 8 HG LEU 8 -5.117 -9.395 -0.636 35 1HD1 LEU 8 1HD1 LEU 8 -3.317 -8.701 -2.378 36 2HD1 LEU 8 2HD1 LEU 8 -2.545 -10.243 -1.937 37 3HD1 LEU 8 3HD1 LEU 8 -4.201 -10.231 -2.589 38 1HD2 LEU 8 1HD2 LEU 8 -4.818 -11.375 0.337 39 2HD2 LEU 8 2HD2 LEU 8 -3.140 -11.500 -0.244 40 3HD2 LEU 8 3HD2 LEU 8 -3.498 -10.614 1.257 41 H LYS 9 H LYS 9 -1.470 -7.815 2.415 42 HA LYS 9 HA LYS 9 -1.557 -5.189 2.867 43 1HB LYS 9 1HB LYS 9 -0.337 -7.479 4.107 44 2HB LYS 9 2HB LYS 9 0.744 -6.109 4.259 45 1HG LYS 9 1HG LYS 9 -1.153 -4.725 5.150 46 2HG LYS 9 2HG LYS 9 -2.215 -6.113 5.022 47 1HD LYS 9 1HD LYS 9 0.177 -6.905 6.461 48 2HD LYS 9 2HD LYS 9 -0.448 -5.435 7.181 49 1HE LYS 9 1HE LYS 9 -2.790 -6.835 6.847 50 2HE LYS 9 2HE LYS 9 -1.670 -8.163 7.072 51 1HZ LYS 9 1HZ LYS 9 -0.873 -6.635 9.013 52 2HZ LYS 9 2HZ LYS 9 -2.401 -6.067 8.925 53 3HZ LYS 9 3HZ LYS 9 -2.134 -7.654 9.203 54 H GLN 10 H GLN 10 1.466 -6.902 1.792 55 HA GLN 10 HA GLN 10 2.954 -4.624 1.493 56 1HB GLN 10 1HB GLN 10 3.365 -7.334 1.157 57 2HB GLN 10 2HB GLN 10 3.480 -6.769 -0.498 58 1HG GLN 10 1HG GLN 10 4.984 -4.850 0.763 59 2HG GLN 10 2HG GLN 10 5.273 -6.210 1.830 60 1HE2 GLN 10 1HE2 GLN 10 6.528 -4.623 -0.649 61 2HE2 GLN 10 2HE2 GLN 10 7.358 -5.871 -1.517 62 H LYS 11 H LYS 11 1.160 -6.480 -1.076 63 HA LYS 11 HA LYS 11 1.677 -4.784 -3.166 64 1HB LYS 11 1HB LYS 11 -0.747 -6.503 -2.577 65 2HB LYS 11 2HB LYS 11 -0.474 -5.705 -4.113 66 1HG LYS 11 1HG LYS 11 1.065 -7.255 -4.758 67 2HG LYS 11 2HG LYS 11 1.934 -7.136 -3.241 68 1HD LYS 11 1HD LYS 11 1.138 -9.197 -2.723 69 2HD LYS 11 2HD LYS 11 -0.443 -8.466 -2.533 70 1HE LYS 11 1HE LYS 11 -0.820 -10.198 -4.113 71 2HE LYS 11 2HE LYS 11 -0.711 -8.758 -5.105 72 1HZ LYS 11 1HZ LYS 11 1.018 -9.631 -6.116 73 2HZ LYS 11 2HZ LYS 11 1.847 -9.804 -4.719 74 3HZ LYS 11 3HZ LYS 11 0.868 -11.003 -5.242 75 H VAL 12 H VAL 12 -1.407 -4.793 -1.236 76 HA VAL 12 HA VAL 12 -2.417 -2.458 -2.206 77 HB VAL 12 HB VAL 12 -2.591 -3.661 0.561 78 1HG1 VAL 12 1HG1 VAL 12 -4.443 -1.610 -0.698 79 2HG1 VAL 12 2HG1 VAL 12 -4.586 -2.335 0.921 80 3HG1 VAL 12 3HG1 VAL 12 -3.223 -1.253 0.549 81 1HG2 VAL 12 1HG2 VAL 12 -4.981 -3.922 -0.995 82 2HG2 VAL 12 2HG2 VAL 12 -3.604 -4.486 -1.972 83 3HG2 VAL 12 3HG2 VAL 12 -3.909 -5.198 -0.370 84 H GLU 13 H GLU 13 -0.072 -2.928 0.503 85 HA GLU 13 HA GLU 13 0.018 -0.357 1.379 86 1HB GLU 13 1HB GLU 13 2.007 -2.621 1.301 87 2HB GLU 13 2HB GLU 13 2.568 -1.045 1.823 88 1HG GLU 13 1HG GLU 13 -0.014 -1.861 3.049 89 2HG GLU 13 2HG GLU 13 1.324 -2.918 3.454 90 H ASN 14 H ASN 14 2.458 -1.833 -0.890 91 HA ASN 14 HA ASN 14 3.637 0.524 -1.574 92 1HB ASN 14 1HB ASN 14 3.336 -2.173 -2.909 93 2HB ASN 14 2HB ASN 14 4.013 -0.871 -3.867 94 1HD2 ASN 14 1HD2 ASN 14 4.294 -2.573 -0.777 95 2HD2 ASN 14 2HD2 ASN 14 6.002 -2.382 -0.563 96 H LEU 15 H LEU 15 0.809 -1.223 -3.003 97 HA LEU 15 HA LEU 15 0.382 0.096 -5.303 98 1HB LEU 15 1HB LEU 15 -1.145 -1.525 -4.970 99 2HB LEU 15 2HB LEU 15 -1.329 -1.176 -3.263 100 HG LEU 15 HG LEU 15 -2.671 0.866 -3.912 101 1HD1 LEU 15 1HD1 LEU 15 -3.648 0.917 -6.170 102 2HD1 LEU 15 2HD1 LEU 15 -1.883 1.145 -6.192 103 3HD1 LEU 15 3HD1 LEU 15 -2.583 -0.425 -6.652 104 1HD2 LEU 15 1HD2 LEU 15 -4.056 -0.750 -3.114 105 2HD2 LEU 15 2HD2 LEU 15 -4.638 -0.699 -4.796 106 3HD2 LEU 15 3HD2 LEU 15 -3.501 -1.970 -4.286 107 H PHE 16 H PHE 16 -1.153 1.171 -2.185 108 HA PHE 16 HA PHE 16 -2.087 3.560 -3.040 109 1HB PHE 16 1HB PHE 16 -0.708 2.759 -0.408 110 2HB PHE 16 2HB PHE 16 -1.687 4.204 -0.568 111 HD1 PHE 16 1HD PHE 16 -3.819 2.920 -2.386 112 HD2 PHE 16 2HD PHE 16 -2.027 1.690 1.258 113 HE1 PHE 16 1HE PHE 16 -5.873 1.591 -1.825 114 HE2 PHE 16 2HE PHE 16 -4.081 0.361 1.820 115 HZ PHE 16 HZ PHE 16 -5.979 0.327 0.272 116 H ASN 17 H ASN 17 1.138 3.059 -1.423 117 HA ASN 17 HA ASN 17 2.067 5.546 -1.518 118 1HB ASN 17 1HB ASN 17 3.670 3.054 -2.301 119 2HB ASN 17 2HB ASN 17 4.359 4.551 -1.702 120 1HD2 ASN 17 1HD2 ASN 17 5.302 3.314 -0.025 121 2HD2 ASN 17 2HD2 ASN 17 4.404 2.853 1.382 122 H GLU 18 H GLU 18 2.248 3.059 -4.169 123 HA GLU 18 HA GLU 18 3.610 4.616 -5.980 124 1HB GLU 18 1HB GLU 18 2.088 2.106 -5.985 125 2HB GLU 18 2HB GLU 18 1.911 2.964 -7.503 126 1HG GLU 18 1HG GLU 18 4.692 3.073 -6.624 127 2HG GLU 18 2HG GLU 18 4.141 1.410 -6.640 128 H LYS 19 H LYS 19 0.029 4.015 -5.720 129 HA LYS 19 HA LYS 19 -0.761 5.673 -7.757 130 1HB LYS 19 1HB LYS 19 -2.178 5.073 -5.143 131 2HB LYS 19 2HB LYS 19 -2.933 5.756 -6.569 132 1HG LYS 19 1HG LYS 19 -1.458 3.082 -6.570 133 2HG LYS 19 2HG LYS 19 -3.186 3.229 -6.321 134 1HD LYS 19 1HD LYS 19 -2.468 4.774 -8.664 135 2HD LYS 19 2HD LYS 19 -1.752 3.182 -8.813 136 1HE LYS 19 1HE LYS 19 -4.015 2.168 -8.267 137 2HE LYS 19 2HE LYS 19 -4.699 3.781 -8.268 138 1HZ LYS 19 1HZ LYS 19 -4.138 4.029 -10.530 139 2HZ LYS 19 2HZ LYS 19 -3.246 2.662 -10.560 140 3HZ LYS 19 3HZ LYS 19 -4.869 2.575 -10.396 141 H CYS 20 H CYS 20 -0.098 6.470 -4.293 142 HA CYS 20 HA CYS 20 -0.924 9.000 -4.144 143 1HB CYS 20 1HB CYS 20 0.337 7.621 -2.403 144 2HB CYS 20 2HB CYS 20 1.819 8.189 -3.146 145 HG CYS 20 HG CYS 20 1.242 10.757 -2.977 146 H GLY 21 H GLY 21 2.527 8.230 -5.023 147 1HA GLY 21 1HA GLY 21 3.198 10.696 -6.048 148 2HA GLY 21 2HA GLY 21 3.937 9.172 -6.499 149 H GLU 22 H GLU 22 1.784 7.821 -7.754 150 HA GLU 22 HA GLU 22 1.959 8.787 -10.290 151 1HB GLU 22 1HB GLU 22 0.895 6.546 -9.082 152 2HB GLU 22 2HB GLU 22 -0.558 7.328 -9.671 153 1HG GLU 22 1HG GLU 22 1.568 7.407 -11.693 154 2HG GLU 22 2HG GLU 22 1.256 5.762 -11.178 155 H ALA 23 H ALA 23 -0.352 9.595 -7.695 156 HA ALA 23 HA ALA 23 -2.347 10.778 -9.189 157 1HB ALA 23 1HB ALA 23 -2.970 11.848 -7.129 158 2HB ALA 23 2HB ALA 23 -2.284 10.262 -6.702 159 3HB ALA 23 3HB ALA 23 -1.309 11.737 -6.498 160 H LEU 24 H LEU 24 0.579 12.335 -7.688 161 HA LEU 24 HA LEU 24 0.087 14.829 -8.876 162 1HB LEU 24 1HB LEU 24 2.608 13.598 -7.758 163 2HB LEU 24 2HB LEU 24 2.454 15.276 -8.237 164 HG LEU 24 HG LEU 24 0.308 14.849 -6.485 165 1HD1 LEU 24 1HD1 LEU 24 2.711 13.246 -5.691 166 2HD1 LEU 24 2HD1 LEU 24 1.766 14.088 -4.439 167 3HD1 LEU 24 3HD1 LEU 24 0.978 12.889 -5.492 168 1HD2 LEU 24 1HD2 LEU 24 1.533 16.914 -6.657 169 2HD2 LEU 24 2HD2 LEU 24 1.606 16.334 -4.975 170 3HD2 LEU 24 3HD2 LEU 24 3.014 16.138 -6.046 171 H GLY 25 H GLY 25 1.039 11.830 -10.217 172 1HA GLY 25 1HA GLY 25 1.306 11.446 -12.474 173 2HA GLY 25 2HA GLY 25 1.656 13.142 -12.744 174 H LEU 26 H LEU 26 3.068 10.474 -10.702 175 HA LEU 26 HA LEU 26 5.640 11.045 -11.978 176 1HB LEU 26 1HB LEU 26 5.298 10.615 -9.011 177 2HB LEU 26 2HB LEU 26 6.784 10.965 -9.873 178 HG LEU 26 HG LEU 26 4.435 12.871 -9.690 179 1HD1 LEU 26 1HD1 LEU 26 5.101 13.508 -7.674 180 2HD1 LEU 26 2HD1 LEU 26 6.265 12.161 -7.661 181 3HD1 LEU 26 3HD1 LEU 26 6.763 13.762 -8.259 182 1HD2 LEU 26 1HD2 LEU 26 7.281 13.488 -10.500 183 2HD2 LEU 26 2HD2 LEU 26 6.004 13.070 -11.667 184 3HD2 LEU 26 3HD2 LEU 26 5.837 14.519 -10.646 185 H LYS 27 H LYS 27 7.230 9.189 -11.574 186 HA LYS 27 HA LYS 27 5.697 6.702 -11.767 187 1HB LYS 27 1HB LYS 27 7.746 7.832 -13.361 188 2HB LYS 27 2HB LYS 27 8.468 6.462 -12.542 189 1HG LYS 27 1HG LYS 27 6.003 5.422 -13.271 190 2HG LYS 27 2HG LYS 27 6.319 6.519 -14.600 191 1HD LYS 27 1HD LYS 27 8.785 5.160 -14.080 192 2HD LYS 27 2HD LYS 27 7.532 3.934 -14.046 193 1HE LYS 27 1HE LYS 27 6.667 4.999 -16.263 194 2HE LYS 27 2HE LYS 27 8.196 5.855 -16.314 195 1HZ LYS 27 1HZ LYS 27 7.943 2.934 -16.109 196 2HZ LYS 27 2HZ LYS 27 8.243 3.746 -17.494 197 3HZ LYS 27 3HZ LYS 27 9.335 3.771 -16.280 198 H GLN 28 H GLN 28 6.783 8.395 -9.323 199 HA GLN 28 HA GLN 28 8.249 6.170 -8.140 200 1HB GLN 28 1HB GLN 28 8.771 8.126 -6.388 201 2HB GLN 28 2HB GLN 28 9.721 7.924 -7.847 202 1HG GLN 28 1HG GLN 28 7.235 9.655 -7.925 203 2HG GLN 28 2HG GLN 28 8.708 10.302 -7.230 204 1HE2 GLN 28 1HE2 GLN 28 9.049 11.801 -8.803 205 2HE2 GLN 28 2HE2 GLN 28 9.527 11.426 -10.425 206 H ALA 29 H ALA 29 7.897 6.168 -5.573 207 HA ALA 29 HA ALA 29 4.987 6.298 -5.192 208 1HB ALA 29 1HB ALA 29 6.036 4.040 -5.110 209 2HB ALA 29 2HB ALA 29 7.077 4.593 -3.777 210 3HB ALA 29 3HB ALA 29 5.313 4.508 -3.553 211 H VAL 30 H VAL 30 4.140 7.381 -3.398 212 HA VAL 30 HA VAL 30 6.088 8.603 -1.591 213 HB VAL 30 HB VAL 30 5.816 10.397 -2.993 214 1HG1 VAL 30 1HG1 VAL 30 3.829 10.991 -4.226 215 2HG1 VAL 30 2HG1 VAL 30 4.149 9.257 -4.470 216 3HG1 VAL 30 3HG1 VAL 30 2.866 9.776 -3.351 217 1HG2 VAL 30 1HG2 VAL 30 3.455 10.693 -1.105 218 2HG2 VAL 30 2HG2 VAL 30 5.158 11.001 -0.690 219 3HG2 VAL 30 3HG2 VAL 30 4.341 12.012 -1.907 220 H LYS 31 H LYS 31 5.556 7.995 0.436 221 HA LYS 31 HA LYS 31 3.465 6.532 1.203 222 1HB LYS 31 1HB LYS 31 5.552 7.768 2.467 223 2HB LYS 31 2HB LYS 31 4.190 8.614 3.173 224 1HG LYS 31 1HG LYS 31 4.108 5.592 2.951 225 2HG LYS 31 2HG LYS 31 5.039 6.334 4.237 226 1HD LYS 31 1HD LYS 31 2.704 7.765 4.452 227 2HD LYS 31 2HD LYS 31 2.075 6.246 3.844 228 1HE LYS 31 1HE LYS 31 2.053 5.916 6.185 229 2HE LYS 31 2HE LYS 31 3.535 5.117 5.700 230 1HZ LYS 31 1HZ LYS 31 3.610 7.935 6.431 231 2HZ LYS 31 2HZ LYS 31 3.572 6.802 7.606 232 3HZ LYS 31 3HZ LYS 31 4.796 6.817 6.525 233 H VAL 32 H VAL 32 1.287 6.704 1.411 234 HA VAL 32 HA VAL 32 0.040 9.089 0.508 235 HB VAL 32 HB VAL 32 -0.889 6.442 1.593 236 1HG1 VAL 32 1HG1 VAL 32 -2.376 8.924 1.624 237 2HG1 VAL 32 2HG1 VAL 32 -3.127 7.762 0.503 238 3HG1 VAL 32 3HG1 VAL 32 -2.852 7.310 2.203 239 1HG2 VAL 32 1HG2 VAL 32 -1.797 6.181 -0.683 240 2HG2 VAL 32 2HG2 VAL 32 -1.177 7.793 -1.112 241 3HG2 VAL 32 3HG2 VAL 32 -0.043 6.483 -0.703 242 HA PRO 33 HA PRO 33 0.048 10.908 4.496 243 1HB PRO 33 1HB PRO 33 -0.736 13.406 3.713 244 2HB PRO 33 2HB PRO 33 0.937 12.885 3.718 245 1HG PRO 33 1HG PRO 33 -0.888 13.239 1.419 246 2HG PRO 33 2HG PRO 33 0.861 13.139 1.426 247 1HD PRO 33 1HD PRO 33 -0.973 11.072 0.656 248 2HD PRO 33 2HD PRO 33 0.770 10.936 0.775 249 H PHE 34 H PHE 34 -1.661 9.334 5.010 250 HA PHE 34 HA PHE 34 -4.295 9.812 4.431 251 1HB PHE 34 1HB PHE 34 -2.862 8.716 6.922 252 2HB PHE 34 2HB PHE 34 -4.589 8.541 6.684 253 HD1 PHE 34 1HD PHE 34 -5.390 7.259 4.631 254 HD2 PHE 34 2HD PHE 34 -1.361 7.187 5.962 255 HE1 PHE 34 1HE PHE 34 -4.997 5.149 3.328 256 HE2 PHE 34 2HE PHE 34 -0.968 5.078 4.659 257 HZ PHE 34 HZ PHE 34 -2.791 4.084 3.358 258 H ALA 35 H ALA 35 -2.146 11.655 6.466 259 HA ALA 35 HA ALA 35 -4.194 12.704 8.167 260 1HB ALA 35 1HB ALA 35 -2.409 13.416 9.342 261 2HB ALA 35 2HB ALA 35 -1.394 12.563 8.155 262 3HB ALA 35 3HB ALA 35 -1.753 14.293 7.939 263 H LEU 36 H LEU 36 -3.116 13.225 4.913 264 HA LEU 36 HA LEU 36 -3.971 15.988 4.873 265 1HB LEU 36 1HB LEU 36 -2.568 14.119 3.041 266 2HB LEU 36 2HB LEU 36 -3.512 15.396 2.300 267 HG LEU 36 HG LEU 36 -1.309 15.827 4.338 268 1HD1 LEU 36 1HD1 LEU 36 -1.299 16.078 1.321 269 2HD1 LEU 36 2HD1 LEU 36 -0.039 16.743 2.388 270 3HD1 LEU 36 3HD1 LEU 36 -0.319 14.986 2.328 271 1HD2 LEU 36 1HD2 LEU 36 -2.487 17.740 4.624 272 2HD2 LEU 36 2HD2 LEU 36 -1.593 18.218 3.161 273 3HD2 LEU 36 3HD2 LEU 36 -3.270 17.636 3.029 274 H PHE 37 H PHE 37 -5.124 12.728 3.983 275 HA PHE 37 HA PHE 37 -7.371 13.748 2.540 276 1HB PHE 37 1HB PHE 37 -6.489 11.046 3.706 277 2HB PHE 37 2HB PHE 37 -7.990 11.211 2.817 278 HD1 PHE 37 1HD PHE 37 -7.995 10.974 0.502 279 HD2 PHE 37 2HD PHE 37 -4.328 11.790 2.476 280 HE1 PHE 37 1HE PHE 37 -6.757 10.623 -1.653 281 HE2 PHE 37 2HE PHE 37 -3.090 11.438 0.320 282 HZ PHE 37 HZ PHE 37 -4.320 10.859 -1.718 283 H GLU 38 H GLU 38 -6.618 12.807 5.886 284 HA GLU 38 HA GLU 38 -9.259 12.422 6.695 285 1HB GLU 38 1HB GLU 38 -8.375 12.186 8.845 286 2HB GLU 38 2HB GLU 38 -6.976 11.817 7.856 287 1HG GLU 38 1HG GLU 38 -6.173 14.165 8.084 288 2HG GLU 38 2HG GLU 38 -7.591 14.571 9.031 289 H SER 39 H SER 39 -7.046 15.287 6.779 290 HA SER 39 HA SER 39 -9.093 16.899 7.926 291 1HB SER 39 1HB SER 39 -6.254 17.326 6.998 292 2HB SER 39 2HB SER 39 -7.276 18.731 7.222 293 HG SER 39 HG SER 39 -7.762 17.594 9.425 294 H PHE 40 H PHE 40 -7.559 16.387 4.706 295 HA PHE 40 HA PHE 40 -9.720 18.013 3.562 296 1HB PHE 40 1HB PHE 40 -6.916 17.565 2.405 297 2HB PHE 40 2HB PHE 40 -8.066 18.796 1.925 298 HD1 PHE 40 1HD PHE 40 -8.831 20.278 4.132 299 HD2 PHE 40 2HD PHE 40 -5.086 18.377 3.526 300 HE1 PHE 40 1HE PHE 40 -7.750 21.904 5.710 301 HE2 PHE 40 2HE PHE 40 -4.005 20.003 5.103 302 HZ PHE 40 HZ PHE 40 -5.350 21.747 6.176 303 HA PRO 41 HA PRO 41 -9.877 13.816 1.849 304 1HB PRO 41 1HB PRO 41 -12.513 13.306 2.359 305 2HB PRO 41 2HB PRO 41 -11.217 12.812 3.430 306 1HG PRO 41 1HG PRO 41 -13.145 15.030 3.753 307 2HG PRO 41 2HG PRO 41 -12.144 14.260 4.967 308 1HD PRO 41 1HD PRO 41 -11.692 16.810 3.734 309 2HD PRO 41 2HD PRO 41 -10.632 15.989 4.862 310 H GLU 42 H GLU 42 -12.423 16.244 1.604 311 HA GLU 42 HA GLU 42 -13.458 15.501 -0.762 312 1HB GLU 42 1HB GLU 42 -13.205 18.030 0.751 313 2HB GLU 42 2HB GLU 42 -13.426 18.279 -0.969 314 1HG GLU 42 1HG GLU 42 -15.429 16.763 -0.919 315 2HG GLU 42 2HG GLU 42 -15.215 16.552 0.807 316 H ASP 43 H ASP 43 -10.504 17.516 -0.206 317 HA ASP 43 HA ASP 43 -10.061 17.935 -2.939 318 1HB ASP 43 1HB ASP 43 -8.265 18.094 -0.481 319 2HB ASP 43 2HB ASP 43 -7.683 18.506 -2.082 320 H PHE 44 H PHE 44 -8.252 15.966 -0.446 321 HA PHE 44 HA PHE 44 -7.140 14.356 -2.595 322 1HB PHE 44 1HB PHE 44 -6.735 14.323 0.455 323 2HB PHE 44 2HB PHE 44 -5.690 13.545 -0.716 324 HD1 PHE 44 1HD PHE 44 -4.932 15.360 -2.657 325 HD2 PHE 44 2HD PHE 44 -5.850 16.219 1.396 326 HE1 PHE 44 1HE PHE 44 -3.523 17.433 -2.778 327 HE2 PHE 44 2HE PHE 44 -4.441 18.293 1.275 328 HZ PHE 44 HZ PHE 44 -3.294 18.875 -0.810 329 H TYR 45 H TYR 45 -8.321 12.624 -3.263 330 HA TYR 45 HA TYR 45 -9.249 10.768 -1.257 331 1HB TYR 45 1HB TYR 45 -11.566 10.835 -2.420 332 2HB TYR 45 2HB TYR 45 -11.196 12.257 -1.465 333 HD1 TYR 45 1HD TYR 45 -10.267 14.324 -2.692 334 HD2 TYR 45 2HD TYR 45 -12.100 11.027 -4.710 335 HE1 TYR 45 1HE TYR 45 -10.679 15.790 -4.728 336 HE2 TYR 45 2HE TYR 45 -12.506 12.504 -6.739 337 HH TYR 45 HH TYR 45 -12.213 15.865 -6.609 338 H VAL 46 H VAL 46 -9.973 8.691 -2.250 339 HA VAL 46 HA VAL 46 -8.685 8.355 -4.868 340 HB VAL 46 HB VAL 46 -9.011 6.505 -2.506 341 1HG1 VAL 46 1HG1 VAL 46 -9.472 5.283 -4.613 342 2HG1 VAL 46 2HG1 VAL 46 -7.894 5.813 -5.245 343 3HG1 VAL 46 3HG1 VAL 46 -7.970 4.744 -3.824 344 1HG2 VAL 46 1HG2 VAL 46 -7.082 7.609 -2.021 345 2HG2 VAL 46 2HG2 VAL 46 -6.398 6.409 -3.144 346 3HG2 VAL 46 3HG2 VAL 46 -6.775 8.051 -3.718 347 H GLU 47 H GLU 47 -9.802 7.290 -6.524 348 HA GLU 47 HA GLU 47 -12.540 6.560 -5.845 349 1HB GLU 47 1HB GLU 47 -11.677 8.030 -8.375 350 2HB GLU 47 2HB GLU 47 -13.313 7.547 -7.974 351 1HG GLU 47 1HG GLU 47 -12.309 9.017 -5.722 352 2HG GLU 47 2HG GLU 47 -11.878 9.931 -7.154 353 H GLY 48 H GLY 48 -13.284 4.635 -6.761 354 1HA GLY 48 1HA GLY 48 -13.084 3.197 -8.783 355 2HA GLY 48 2HA GLY 48 -11.353 3.238 -8.515 356 H LEU 49 H LEU 49 -11.854 3.284 -5.462 357 HA LEU 49 HA LEU 49 -11.322 0.740 -4.840 358 1HB LEU 49 1HB LEU 49 -12.942 2.780 -3.322 359 2HB LEU 49 2HB LEU 49 -12.465 1.243 -2.627 360 HG LEU 49 HG LEU 49 -10.347 2.997 -3.820 361 1HD1 LEU 49 1HD1 LEU 49 -10.431 3.656 -1.096 362 2HD1 LEU 49 2HD1 LEU 49 -10.789 4.713 -2.482 363 3HD1 LEU 49 3HD1 LEU 49 -12.104 3.824 -1.678 364 1HD2 LEU 49 1HD2 LEU 49 -8.963 1.990 -2.082 365 2HD2 LEU 49 2HD2 LEU 49 -10.381 1.136 -1.428 366 3HD2 LEU 49 3HD2 LEU 49 -9.776 0.740 -3.054 367 HA PRO 50 HA PRO 50 -14.826 -1.668 -5.573 368 1HB PRO 50 1HB PRO 50 -14.504 -3.709 -3.784 369 2HB PRO 50 2HB PRO 50 -13.639 -3.623 -5.306 370 1HG PRO 50 1HG PRO 50 -12.642 -3.089 -2.575 371 2HG PRO 50 2HG PRO 50 -11.727 -3.422 -4.032 372 1HD PRO 50 1HD PRO 50 -12.103 -0.865 -2.789 373 2HD PRO 50 2HD PRO 50 -11.286 -1.183 -4.306 374 H GLU 51 H GLU 51 -16.911 -2.508 -4.833 375 HA GLU 51 HA GLU 51 -18.117 -0.616 -3.252 376 1HB GLU 51 1HB GLU 51 -18.954 -2.709 -4.842 377 2HB GLU 51 2HB GLU 51 -19.383 -3.309 -3.252 378 1HG GLU 51 1HG GLU 51 -21.280 -2.061 -3.518 379 2HG GLU 51 2HG GLU 51 -20.267 -0.708 -3.056 380 H GLY 52 H GLY 52 -18.890 -0.620 -1.059 381 1HA GLY 52 1HA GLY 52 -18.718 -0.992 1.150 382 2HA GLY 52 2HA GLY 52 -18.609 -2.698 0.763 383 H VAL 53 H VAL 53 -16.174 -0.673 -0.722 384 HA VAL 53 HA VAL 53 -14.288 -1.376 1.415 385 HB VAL 53 HB VAL 53 -13.756 -1.556 -1.555 386 1HG1 VAL 53 1HG1 VAL 53 -12.000 -3.030 0.259 387 2HG1 VAL 53 2HG1 VAL 53 -11.599 -1.898 -1.054 388 3HG1 VAL 53 3HG1 VAL 53 -11.985 -1.277 0.569 389 1HG2 VAL 53 1HG2 VAL 53 -13.588 -4.104 -0.279 390 2HG2 VAL 53 2HG2 VAL 53 -15.165 -3.387 0.129 391 3HG2 VAL 53 3HG2 VAL 53 -14.689 -3.579 -1.576 392 HA PRO 54 HA PRO 54 -13.988 3.013 0.689 393 1HB PRO 54 1HB PRO 54 -13.537 3.727 3.288 394 2HB PRO 54 2HB PRO 54 -15.138 3.649 2.579 395 1HG PRO 54 1HG PRO 54 -13.848 1.765 4.457 396 2HG PRO 54 2HG PRO 54 -15.550 1.943 4.076 397 1HD PRO 54 1HD PRO 54 -13.787 -0.115 3.136 398 2HD PRO 54 2HD PRO 54 -15.456 0.131 2.664 399 H PHE 55 H PHE 55 -12.252 4.712 1.444 400 HA PHE 55 HA PHE 55 -9.767 3.345 0.851 401 1HB PHE 55 1HB PHE 55 -10.617 5.479 -0.296 402 2HB PHE 55 2HB PHE 55 -10.519 6.304 1.247 403 HD1 PHE 55 1HD PHE 55 -8.385 4.378 -1.130 404 HD2 PHE 55 2HD PHE 55 -8.582 7.453 1.788 405 HE1 PHE 55 1HE PHE 55 -5.996 4.983 -1.605 406 HE2 PHE 55 2HE PHE 55 -6.193 8.058 1.312 407 HZ PHE 55 HZ PHE 55 -4.928 6.815 -0.379 408 H ARG 56 H ARG 56 -8.874 2.396 2.664 409 HA ARG 56 HA ARG 56 -8.281 4.249 4.803 410 1HB ARG 56 1HB ARG 56 -9.723 1.595 5.049 411 2HB ARG 56 2HB ARG 56 -8.671 2.103 6.355 412 1HG ARG 56 1HG ARG 56 -10.461 4.266 5.416 413 2HG ARG 56 2HG ARG 56 -11.337 2.872 6.016 414 1HD ARG 56 1HD ARG 56 -9.255 3.240 7.895 415 2HD ARG 56 2HD ARG 56 -9.777 4.868 7.510 416 HE ARG 56 HE ARG 56 -11.275 2.903 9.014 417 1HH1 ARG 56 2HH2 ARG 56 -11.675 5.560 6.742 418 2HH1 ARG 56 1HH2 ARG 56 -13.280 5.940 7.272 419 1HH2 ARG 56 2HH1 ARG 56 -13.392 3.404 9.714 420 2HH2 ARG 56 1HH1 ARG 56 -14.263 4.706 8.974 421 H ARG 57 H ARG 57 -6.801 2.664 6.502 422 HA ARG 57 HA ARG 57 -4.487 2.260 5.016 423 1HB ARG 57 1HB ARG 57 -5.255 1.431 7.857 424 2HB ARG 57 2HB ARG 57 -3.634 1.243 7.218 425 1HG ARG 57 1HG ARG 57 -3.176 3.495 7.331 426 2HG ARG 57 2HG ARG 57 -4.785 3.957 6.813 427 1HD ARG 57 1HD ARG 57 -5.016 2.713 9.413 428 2HD ARG 57 2HD ARG 57 -3.727 3.897 9.496 429 HE ARG 57 HE ARG 57 -5.706 5.280 8.169 430 1HH1 ARG 57 2HH2 ARG 57 -5.671 3.433 11.164 431 2HH1 ARG 57 1HH2 ARG 57 -6.921 4.373 11.908 432 1HH2 ARG 57 2HH1 ARG 57 -7.356 6.520 9.150 433 2HH2 ARG 57 1HH1 ARG 57 -7.886 6.141 10.754 434 HA PRO 58 HA PRO 58 -4.881 -1.951 3.951 435 1HB PRO 58 1HB PRO 58 -2.272 -2.738 3.746 436 2HB PRO 58 2HB PRO 58 -3.103 -1.840 2.492 437 1HG PRO 58 1HG PRO 58 -1.084 -0.884 4.429 438 2HG PRO 58 2HG PRO 58 -1.603 -0.143 2.928 439 1HD PRO 58 1HD PRO 58 -2.351 0.649 5.581 440 2HD PRO 58 2HD PRO 58 -2.959 1.314 4.078 441 H SER 59 H SER 59 -2.642 -1.367 6.592 442 HA SER 59 HA SER 59 -2.891 -4.016 7.521 443 1HB SER 59 1HB SER 59 -0.886 -2.766 8.045 444 2HB SER 59 2HB SER 59 -1.806 -1.458 8.763 445 HG SER 59 HG SER 59 -1.654 -4.168 9.783 446 H THR 60 H THR 60 -5.423 -3.776 7.288 447 HA THR 60 HA THR 60 -6.522 -3.799 9.856 448 HB THR 60 HB THR 60 -6.117 -1.177 8.937 449 HG1 THR 60 1HG THR 60 -8.053 -2.505 10.693 450 1HG2 THR 60 1HG2 THR 60 -8.082 -1.579 7.322 451 2HG2 THR 60 2HG2 THR 60 -9.092 -1.865 8.760 452 3HG2 THR 60 3HG2 THR 60 -8.336 -0.274 8.506 453 H PHE 61 H PHE 61 -7.086 -3.208 6.351 454 HA PHE 61 HA PHE 61 -9.690 -4.052 6.224 455 1HB PHE 61 1HB PHE 61 -7.224 -4.195 4.428 456 2HB PHE 61 2HB PHE 61 -8.723 -4.899 3.856 457 HD1 PHE 61 1HD PHE 61 -10.809 -3.122 4.500 458 HD2 PHE 61 2HD PHE 61 -6.809 -2.154 3.464 459 HE1 PHE 61 1HE PHE 61 -11.562 -0.866 3.699 460 HE2 PHE 61 2HE PHE 61 -7.563 0.103 2.664 461 HZ PHE 61 HZ PHE 61 -9.930 0.720 2.790 462 H GLY 62 H GLY 62 -10.715 -6.075 5.711 463 1HA GLY 62 1HA GLY 62 -9.776 -8.283 7.141 464 2HA GLY 62 2HA GLY 62 -11.061 -8.281 5.949 465 H ILE 63 H ILE 63 -9.553 -10.544 6.044 466 HA ILE 63 HA ILE 63 -7.221 -10.491 4.491 467 HB ILE 63 HB ILE 63 -9.173 -12.648 5.262 468 1HG1 ILE 63 1HG1 ILE 63 -6.296 -12.416 6.110 469 2HG1 ILE 63 2HG1 ILE 63 -7.520 -11.434 6.889 470 1HG2 ILE 63 1HG2 ILE 63 -6.921 -12.755 3.321 471 2HG2 ILE 63 2HG2 ILE 63 -7.061 -14.092 4.488 472 3HG2 ILE 63 3HG2 ILE 63 -8.421 -13.710 3.405 473 1HD1 ILE 63 1HD1 ILE 63 -7.299 -13.478 8.173 474 2HD1 ILE 63 2HD1 ILE 63 -8.857 -13.558 7.315 475 3HD1 ILE 63 3HD1 ILE 63 -7.458 -14.477 6.708 476 HA PRO 64 HA PRO 64 -10.233 -11.398 0.948 477 1HB PRO 64 1HB PRO 64 -12.886 -10.831 1.276 478 2HB PRO 64 2HB PRO 64 -12.216 -12.437 1.485 479 1HG PRO 64 1HG PRO 64 -13.102 -10.515 3.549 480 2HG PRO 64 2HG PRO 64 -12.838 -12.242 3.697 481 1HD PRO 64 1HD PRO 64 -11.102 -10.155 4.624 482 2HD PRO 64 2HD PRO 64 -10.786 -11.878 4.667 483 H ARG 65 H ARG 65 -11.404 -8.683 2.866 484 HA ARG 65 HA ARG 65 -12.015 -7.027 0.835 485 1HB ARG 65 1HB ARG 65 -12.179 -6.667 3.403 486 2HB ARG 65 2HB ARG 65 -10.526 -6.091 3.331 487 1HG ARG 65 1HG ARG 65 -11.131 -4.094 2.393 488 2HG ARG 65 2HG ARG 65 -12.246 -4.850 1.272 489 1HD ARG 65 1HD ARG 65 -13.295 -3.298 3.044 490 2HD ARG 65 2HD ARG 65 -14.028 -4.880 2.875 491 HE ARG 65 HE ARG 65 -11.893 -4.847 4.870 492 1HH1 ARG 65 2HH2 ARG 65 -15.307 -4.191 4.324 493 2HH1 ARG 65 1HH2 ARG 65 -15.743 -4.394 5.988 494 1HH2 ARG 65 2HH1 ARG 65 -12.468 -5.115 7.065 495 2HH2 ARG 65 1HH1 ARG 65 -14.117 -4.923 7.558 496 H LEU 66 H LEU 66 -8.780 -7.711 2.283 497 HA LEU 66 HA LEU 66 -7.318 -5.741 1.040 498 1HB LEU 66 1HB LEU 66 -6.777 -8.412 2.204 499 2HB LEU 66 2HB LEU 66 -5.546 -7.765 1.138 500 HG LEU 66 HG LEU 66 -6.641 -6.135 3.429 501 1HD1 LEU 66 1HD1 LEU 66 -4.078 -7.488 3.917 502 2HD1 LEU 66 2HD1 LEU 66 -5.465 -7.213 4.999 503 3HD1 LEU 66 3HD1 LEU 66 -5.484 -8.578 3.858 504 1HD2 LEU 66 1HD2 LEU 66 -4.396 -5.063 3.279 505 2HD2 LEU 66 2HD2 LEU 66 -4.065 -6.054 1.838 506 3HD2 LEU 66 3HD2 LEU 66 -5.393 -4.868 1.817 507 H GLU 67 H GLU 67 -7.974 -9.120 -0.124 508 HA GLU 67 HA GLU 67 -6.666 -8.821 -2.518 509 1HB GLU 67 1HB GLU 67 -8.726 -10.661 -1.393 510 2HB GLU 67 2HB GLU 67 -8.643 -10.619 -3.143 511 1HG GLU 67 1HG GLU 67 -5.980 -10.731 -1.830 512 2HG GLU 67 2HG GLU 67 -6.986 -12.127 -1.497 513 H LYS 68 H LYS 68 -10.072 -8.089 -1.589 514 HA LYS 68 HA LYS 68 -11.137 -7.612 -4.060 515 1HB LYS 68 1HB LYS 68 -11.687 -6.076 -1.503 516 2HB LYS 68 2HB LYS 68 -12.743 -6.174 -2.897 517 1HG LYS 68 1HG LYS 68 -12.245 -8.860 -2.376 518 2HG LYS 68 2HG LYS 68 -12.244 -8.178 -0.762 519 1HD LYS 68 1HD LYS 68 -14.505 -8.047 -0.788 520 2HD LYS 68 2HD LYS 68 -14.447 -6.993 -2.187 521 1HE LYS 68 1HE LYS 68 -14.614 -8.812 -3.724 522 2HE LYS 68 2HE LYS 68 -14.117 -9.993 -2.529 523 1HZ LYS 68 1HZ LYS 68 -16.274 -10.312 -2.257 524 2HZ LYS 68 2HZ LYS 68 -16.323 -8.894 -1.448 525 3HZ LYS 68 3HZ LYS 68 -16.702 -8.942 -3.036 526 H ILE 69 H ILE 69 -9.219 -5.368 -1.968 527 HA ILE 69 HA ILE 69 -9.416 -3.132 -3.562 528 HB ILE 69 HB ILE 69 -7.406 -4.159 -1.602 529 1HG1 ILE 69 1HG1 ILE 69 -8.677 -1.506 -1.315 530 2HG1 ILE 69 2HG1 ILE 69 -9.794 -2.857 -1.324 531 1HG2 ILE 69 1HG2 ILE 69 -6.055 -3.023 -3.291 532 2HG2 ILE 69 2HG2 ILE 69 -7.105 -1.589 -3.181 533 3HG2 ILE 69 3HG2 ILE 69 -6.124 -2.083 -1.780 534 1HD1 ILE 69 1HD1 ILE 69 -7.880 -3.881 0.330 535 2HD1 ILE 69 2HD1 ILE 69 -7.689 -2.144 0.672 536 3HD1 ILE 69 3HD1 ILE 69 -9.268 -2.931 0.913 537 H LEU 70 H LEU 70 -6.745 -5.603 -3.566 538 HA LEU 70 HA LEU 70 -5.320 -4.655 -5.662 539 1HB LEU 70 1HB LEU 70 -5.759 -7.270 -4.395 540 2HB LEU 70 2HB LEU 70 -5.182 -7.361 -6.047 541 HG LEU 70 HG LEU 70 -3.839 -6.060 -3.675 542 1HD1 LEU 70 1HD1 LEU 70 -2.284 -7.727 -3.781 543 2HD1 LEU 70 2HD1 LEU 70 -3.708 -8.610 -4.382 544 3HD1 LEU 70 3HD1 LEU 70 -2.502 -7.980 -5.530 545 1HD2 LEU 70 1HD2 LEU 70 -3.416 -5.563 -6.594 546 2HD2 LEU 70 2HD2 LEU 70 -3.307 -4.447 -5.211 547 3HD2 LEU 70 3HD2 LEU 70 -2.001 -5.618 -5.514 548 H ARG 71 H ARG 71 -8.095 -6.992 -5.885 549 HA ARG 71 HA ARG 71 -8.187 -7.376 -8.494 550 1HB ARG 71 1HB ARG 71 -10.571 -6.730 -6.687 551 2HB ARG 71 2HB ARG 71 -10.715 -7.493 -8.258 552 1HG ARG 71 1HG ARG 71 -8.843 -9.139 -7.138 553 2HG ARG 71 2HG ARG 71 -9.675 -8.624 -5.683 554 1HD ARG 71 1HD ARG 71 -10.882 -10.557 -6.370 555 2HD ARG 71 2HD ARG 71 -11.883 -9.228 -6.919 556 HE ARG 71 HE ARG 71 -10.181 -10.965 -8.637 557 1HH1 ARG 71 2HH2 ARG 71 -12.472 -8.308 -8.375 558 2HH1 ARG 71 1HH2 ARG 71 -12.862 -8.309 -10.063 559 1HH2 ARG 71 2HH1 ARG 71 -10.695 -10.968 -10.864 560 2HH2 ARG 71 1HH1 ARG 71 -11.845 -9.832 -11.488 561 H ASN 72 H ASN 72 -8.849 -4.340 -6.794 562 HA ASN 72 HA ASN 72 -9.556 -3.161 -9.367 563 1HB ASN 72 1HB ASN 72 -10.453 -2.507 -6.528 564 2HB ASN 72 2HB ASN 72 -10.551 -1.291 -7.787 565 1HD2 ASN 72 1HD2 ASN 72 -12.772 -2.217 -6.462 566 2HD2 ASN 72 2HD2 ASN 72 -13.795 -3.114 -7.535 567 H LYS 73 H LYS 73 -6.867 -3.503 -8.889 568 HA LYS 73 HA LYS 73 -5.863 -1.174 -7.481 569 1HB LYS 73 1HB LYS 73 -3.717 -2.198 -7.664 570 2HB LYS 73 2HB LYS 73 -4.854 -3.440 -7.183 571 1HG LYS 73 1HG LYS 73 -4.374 -4.669 -9.027 572 2HG LYS 73 2HG LYS 73 -4.796 -3.331 -10.077 573 1HD LYS 73 1HD LYS 73 -2.571 -3.437 -10.650 574 2HD LYS 73 2HD LYS 73 -2.372 -2.438 -9.224 575 1HE LYS 73 1HE LYS 73 -0.801 -4.179 -8.886 576 2HE LYS 73 2HE LYS 73 -2.161 -4.674 -7.898 577 1HZ LYS 73 1HZ LYS 73 -1.247 -6.411 -9.370 578 2HZ LYS 73 2HZ LYS 73 -2.849 -6.164 -9.568 579 3HZ LYS 73 3HZ LYS 73 -1.790 -5.579 -10.665 580 H ALA 74 H ALA 74 -7.190 -1.781 -10.477 581 HA ALA 74 HA ALA 74 -5.337 0.053 -11.825 582 1HB ALA 74 1HB ALA 74 -6.439 -0.821 -13.902 583 2HB ALA 74 2HB ALA 74 -5.610 -2.082 -12.958 584 3HB ALA 74 3HB ALA 74 -7.383 -1.937 -12.886 585 H LYS 75 H LYS 75 -8.761 -0.596 -10.938 586 HA LYS 75 HA LYS 75 -9.783 1.678 -12.258 587 1HB LYS 75 1HB LYS 75 -10.961 0.138 -9.927 588 2HB LYS 75 2HB LYS 75 -11.822 1.201 -11.022 589 1HG LYS 75 1HG LYS 75 -10.233 -1.061 -12.228 590 2HG LYS 75 2HG LYS 75 -11.729 -1.464 -11.409 591 1HD LYS 75 1HD LYS 75 -11.606 0.739 -13.509 592 2HD LYS 75 2HD LYS 75 -11.856 -0.938 -13.953 593 1HE LYS 75 1HE LYS 75 -14.041 -0.871 -13.319 594 2HE LYS 75 2HE LYS 75 -13.635 -0.205 -11.750 595 1HZ LYS 75 1HZ LYS 75 -13.921 1.888 -12.491 596 2HZ LYS 75 2HZ LYS 75 -13.441 1.574 -14.020 597 3HZ LYS 75 3HZ LYS 75 -14.943 1.156 -13.534 598 H ILE 76 H ILE 76 -8.600 1.021 -8.918 599 HA ILE 76 HA ILE 76 -9.370 3.288 -7.656 600 HB ILE 76 HB ILE 76 -6.928 1.566 -7.474 601 1HG1 ILE 76 1HG1 ILE 76 -9.139 2.095 -5.473 602 2HG1 ILE 76 2HG1 ILE 76 -9.221 0.834 -6.688 603 1HG2 ILE 76 1HG2 ILE 76 -5.770 3.253 -6.572 604 2HG2 ILE 76 2HG2 ILE 76 -7.214 4.277 -6.387 605 3HG2 ILE 76 3HG2 ILE 76 -6.837 3.041 -5.163 606 1HD1 ILE 76 1HD1 ILE 76 -7.168 -0.213 -5.804 607 2HD1 ILE 76 2HD1 ILE 76 -6.990 1.104 -4.620 608 3HD1 ILE 76 3HD1 ILE 76 -8.366 -0.019 -4.502 609 H LYS 77 H LYS 77 -8.712 5.441 -7.509 610 HA LYS 77 HA LYS 77 -6.441 6.290 -9.074 611 1HB LYS 77 1HB LYS 77 -8.702 6.160 -10.493 612 2HB LYS 77 2HB LYS 77 -8.985 7.712 -9.730 613 1HG LYS 77 1HG LYS 77 -7.151 8.728 -10.773 614 2HG LYS 77 2HG LYS 77 -6.256 7.228 -10.911 615 1HD LYS 77 1HD LYS 77 -7.523 6.495 -12.797 616 2HD LYS 77 2HD LYS 77 -8.830 7.616 -12.474 617 1HE LYS 77 1HE LYS 77 -7.682 8.626 -14.287 618 2HE LYS 77 2HE LYS 77 -7.087 9.507 -12.894 619 1HZ LYS 77 1HZ LYS 77 -5.662 7.125 -13.766 620 2HZ LYS 77 2HZ LYS 77 -5.449 8.522 -14.585 621 3HZ LYS 77 3HZ LYS 77 -5.088 8.444 -12.994 622 H PHE 78 H PHE 78 -5.399 7.906 -8.011 623 HA PHE 78 HA PHE 78 -6.732 8.951 -5.657 624 1HB PHE 78 1HB PHE 78 -3.911 8.883 -6.843 625 2HB PHE 78 2HB PHE 78 -4.257 9.939 -5.488 626 HD1 PHE 78 1HD PHE 78 -5.248 6.421 -6.281 627 HD2 PHE 78 2HD PHE 78 -3.347 9.068 -3.563 628 HE1 PHE 78 1HE PHE 78 -4.859 4.514 -4.696 629 HE2 PHE 78 2HE PHE 78 -2.958 7.162 -1.978 630 HZ PHE 78 HZ PHE 78 -3.719 4.907 -2.563 631 H ILE 79 H ILE 79 -7.747 10.896 -5.673 632 HA ILE 79 HA ILE 79 -7.160 12.694 -7.887 633 HB ILE 79 HB ILE 79 -9.353 12.880 -5.826 634 1HG1 ILE 79 1HG1 ILE 79 -9.622 10.743 -6.870 635 2HG1 ILE 79 2HG1 ILE 79 -10.811 11.836 -7.550 636 1HG2 ILE 79 1HG2 ILE 79 -10.286 14.009 -8.125 637 2HG2 ILE 79 2HG2 ILE 79 -9.536 14.902 -6.781 638 3HG2 ILE 79 3HG2 ILE 79 -8.561 14.441 -8.197 639 1HD1 ILE 79 1HD1 ILE 79 -8.304 10.728 -8.826 640 2HD1 ILE 79 2HD1 ILE 79 -9.958 10.810 -9.479 641 3HD1 ILE 79 3HD1 ILE 79 -8.961 12.282 -9.394 642 H ILE 80 H ILE 80 -5.863 14.435 -7.653 643 HA ILE 80 HA ILE 80 -5.426 15.376 -4.904 644 HB ILE 80 HB ILE 80 -3.409 15.180 -7.143 645 1HG1 ILE 80 1HG1 ILE 80 -4.117 13.021 -5.996 646 2HG1 ILE 80 2HG1 ILE 80 -2.405 13.393 -6.005 647 1HG2 ILE 80 1HG2 ILE 80 -2.464 16.909 -6.075 648 2HG2 ILE 80 2HG2 ILE 80 -3.458 16.687 -4.616 649 3HG2 ILE 80 3HG2 ILE 80 -2.002 15.693 -4.860 650 1HD1 ILE 80 1HD1 ILE 80 -3.367 14.653 -3.671 651 2HD1 ILE 80 2HD1 ILE 80 -4.216 13.090 -3.728 652 3HD1 ILE 80 3HD1 ILE 80 -2.437 13.138 -3.753 653 H LYS 81 H LYS 81 -6.424 17.301 -4.667 654 HA LYS 81 HA LYS 81 -6.680 18.986 -7.035 655 1HB LYS 81 1HB LYS 81 -8.001 19.343 -4.334 656 2HB LYS 81 2HB LYS 81 -8.424 20.123 -5.845 657 1HG LYS 81 1HG LYS 81 -8.472 17.331 -6.400 658 2HG LYS 81 2HG LYS 81 -9.241 17.505 -4.835 659 1HD LYS 81 1HD LYS 81 -11.108 17.963 -6.092 660 2HD LYS 81 2HD LYS 81 -10.438 19.582 -6.138 661 1HE LYS 81 1HE LYS 81 -9.094 18.597 -8.250 662 2HE LYS 81 2HE LYS 81 -10.428 17.461 -8.286 663 1HZ LYS 81 1HZ LYS 81 -11.581 19.899 -7.917 664 2HZ LYS 81 2HZ LYS 81 -10.407 20.178 -9.018 665 3HZ LYS 81 3HZ LYS 81 -11.545 19.043 -9.308 666 H LYS 82 H LYS 82 -5.070 18.712 -3.889 667 HA LYS 82 HA LYS 82 -3.821 21.317 -4.430 668 1HB LYS 82 1HB LYS 82 -4.573 20.048 -1.785 669 2HB LYS 82 2HB LYS 82 -3.484 21.413 -1.922 670 1HG LYS 82 1HG LYS 82 -5.580 22.282 -3.489 671 2HG LYS 82 2HG LYS 82 -6.440 21.296 -2.323 672 1HD LYS 82 1HD LYS 82 -5.893 22.675 -0.529 673 2HD LYS 82 2HD LYS 82 -4.353 23.151 -1.217 674 1HE LYS 82 1HE LYS 82 -6.323 24.145 -3.019 675 2HE LYS 82 2HE LYS 82 -6.946 24.486 -1.417 676 1HZ LYS 82 1HZ LYS 82 -5.591 26.233 -1.626 677 2HZ LYS 82 2HZ LYS 82 -4.432 25.202 -1.116 678 3HZ LYS 82 3HZ LYS 82 -4.597 25.522 -2.709 679 HA PRO 83 HA PRO 83 -0.619 18.183 -4.720 680 1HB PRO 83 1HB PRO 83 0.585 19.144 -6.977 681 2HB PRO 83 2HB PRO 83 -0.657 17.909 -7.006 682 1HG PRO 83 1HG PRO 83 -0.871 20.768 -7.725 683 2HG PRO 83 2HG PRO 83 -1.947 19.449 -8.139 684 1HD PRO 83 1HD PRO 83 -2.382 21.454 -6.135 685 2HD PRO 83 2HD PRO 83 -3.402 20.069 -6.471 686 H GLU 84 H GLU 84 -0.478 21.647 -4.940 687 HA GLU 84 HA GLU 84 2.241 21.852 -4.435 688 1HB GLU 84 1HB GLU 84 1.734 24.203 -3.851 689 2HB GLU 84 2HB GLU 84 0.886 23.716 -5.305 690 1HG GLU 84 1HG GLU 84 -1.194 23.351 -4.026 691 2HG GLU 84 2HG GLU 84 -0.364 23.679 -2.518 692 H MET 85 H MET 85 -0.430 20.918 -2.411 693 HA MET 85 HA MET 85 0.857 21.735 0.010 694 1HB MET 85 1HB MET 85 -1.682 20.232 -0.751 695 2HB MET 85 2HB MET 85 -1.143 20.213 0.916 696 1HG MET 85 1HG MET 85 -1.138 22.923 -0.314 697 2HG MET 85 2HG MET 85 -2.728 22.192 -0.220 698 1HE MET 85 1HE MET 85 -3.552 21.513 3.186 699 2HE MET 85 2HE MET 85 -3.210 20.644 1.670 700 3HE MET 85 3HE MET 85 -2.122 20.460 3.067 701 H PHE 86 H PHE 86 0.771 18.935 -2.110 702 HA PHE 86 HA PHE 86 1.642 17.110 -0.065 703 1HB PHE 86 1HB PHE 86 0.879 17.173 -2.972 704 2HB PHE 86 2HB PHE 86 2.091 15.969 -2.583 705 HD1 PHE 86 1HD PHE 86 1.332 13.864 -2.051 706 HD2 PHE 86 2HD PHE 86 -1.169 17.190 -1.216 707 HE1 PHE 86 1HE PHE 86 -0.469 12.309 -1.251 708 HE2 PHE 86 2HE PHE 86 -2.969 15.635 -0.416 709 HZ PHE 86 HZ PHE 86 -2.598 13.213 -0.443 710 H GLU 87 H GLU 87 3.072 19.362 -2.349 711 HA GLU 87 HA GLU 87 5.409 18.234 -2.999 712 1HB GLU 87 1HB GLU 87 4.336 20.874 -2.871 713 2HB GLU 87 2HB GLU 87 5.921 20.960 -2.130 714 1HG GLU 87 1HG GLU 87 6.910 19.813 -4.131 715 2HG GLU 87 2HG GLU 87 5.324 19.754 -4.874 716 H THR 88 H THR 88 4.613 19.873 0.130 717 HA THR 88 HA THR 88 7.148 19.652 1.274 718 HB THR 88 HB THR 88 4.296 19.856 2.341 719 HG1 THR 88 1HG THR 88 6.700 21.542 2.285 720 1HG2 THR 88 1HG2 THR 88 6.050 20.800 4.316 721 2HG2 THR 88 2HG2 THR 88 5.112 19.291 4.412 722 3HG2 THR 88 3HG2 THR 88 6.790 19.259 3.820 723 H ALA 89 H ALA 89 4.433 17.316 1.076 724 HA ALA 89 HA ALA 89 5.656 15.470 2.851 725 1HB ALA 89 1HB ALA 89 3.157 15.804 1.986 726 2HB ALA 89 2HB ALA 89 3.682 14.641 0.745 727 3HB ALA 89 3HB ALA 89 3.761 14.201 2.468 728 H ILE 90 H ILE 90 5.131 15.405 -0.752 729 HA ILE 90 HA ILE 90 6.547 13.217 -1.381 730 HB ILE 90 HB ILE 90 6.409 15.869 -2.808 731 1HG1 ILE 90 1HG1 ILE 90 4.897 13.311 -3.377 732 2HG1 ILE 90 2HG1 ILE 90 4.289 14.548 -2.294 733 1HG2 ILE 90 1HG2 ILE 90 7.285 13.214 -3.972 734 2HG2 ILE 90 2HG2 ILE 90 7.158 14.776 -4.815 735 3HG2 ILE 90 3HG2 ILE 90 8.383 14.548 -3.543 736 1HD1 ILE 90 1HD1 ILE 90 4.323 14.512 -5.216 737 2HD1 ILE 90 2HD1 ILE 90 3.443 15.599 -4.114 738 3HD1 ILE 90 3HD1 ILE 90 5.117 15.976 -4.588 739 H LYS 91 H LYS 91 7.863 16.435 -0.478 740 HA LYS 91 HA LYS 91 10.529 15.834 -1.104 741 1HB LYS 91 1HB LYS 91 9.136 17.885 0.595 742 2HB LYS 91 2HB LYS 91 10.879 17.733 0.678 743 1HG LYS 91 1HG LYS 91 10.390 17.670 -2.077 744 2HG LYS 91 2HG LYS 91 9.188 18.808 -1.500 745 1HD LYS 91 1HD LYS 91 10.788 20.401 -1.327 746 2HD LYS 91 2HD LYS 91 11.608 19.440 -0.112 747 1HE LYS 91 1HE LYS 91 13.321 19.176 -1.578 748 2HE LYS 91 2HE LYS 91 12.266 18.170 -2.549 749 1HZ LYS 91 1HZ LYS 91 12.910 19.848 -3.959 750 2HZ LYS 91 2HZ LYS 91 11.441 20.371 -3.472 751 3HZ LYS 91 3HZ LYS 91 12.794 21.026 -2.834 752 H GLU 92 H GLU 92 8.980 16.046 2.181 753 HA GLU 92 HA GLU 92 11.034 14.916 3.537 754 1HB GLU 92 1HB GLU 92 8.111 15.261 3.983 755 2HB GLU 92 2HB GLU 92 8.859 14.019 4.968 756 1HG GLU 92 1HG GLU 92 10.708 16.106 5.131 757 2HG GLU 92 2HG GLU 92 9.180 16.962 5.087 758 H SER 93 H SER 93 8.126 13.230 2.153 759 HA SER 93 HA SER 93 8.655 10.726 2.958 760 1HB SER 93 1HB SER 93 7.285 11.952 0.618 761 2HB SER 93 2HB SER 93 7.743 10.276 0.392 762 HG SER 93 HG SER 93 6.658 10.572 2.890 763 H SER 94 H SER 94 9.871 12.306 -0.086 764 HA SER 94 HA SER 94 11.874 10.190 -0.187 765 1HB SER 94 1HB SER 94 10.558 11.861 -2.351 766 2HB SER 94 2HB SER 94 12.086 11.057 -2.650 767 HG SER 94 HG SER 94 10.280 9.734 -3.296 768 H GLY 95 H GLY 95 13.373 11.226 1.260 769 1HA GLY 95 1HA GLY 95 14.366 13.865 0.392 770 2HA GLY 95 2HA GLY 95 14.515 13.178 1.997 771 HA PRO 96 HA PRO 96 18.140 12.050 -0.738 772 1HB PRO 96 1HB PRO 96 19.865 14.146 -0.424 773 2HB PRO 96 2HB PRO 96 18.824 13.964 -1.821 774 1HG PRO 96 1HG PRO 96 18.546 15.813 0.468 775 2HG PRO 96 2HG PRO 96 17.787 15.897 -1.109 776 1HD PRO 96 1HD PRO 96 16.562 15.049 1.342 777 2HD PRO 96 2HD PRO 96 15.839 15.023 -0.254 778 H SER 97 H SER 97 17.614 10.769 1.382 779 HA SER 97 HA SER 97 18.456 9.770 3.113 780 1HB SER 97 1HB SER 97 20.485 9.600 1.597 781 2HB SER 97 2HB SER 97 21.141 11.020 2.387 782 HG SER 97 HG SER 97 22.020 9.239 3.450 783 H SER 98 H SER 98 18.158 10.294 5.259 784 HA SER 98 HA SER 98 18.151 11.407 7.125 785 1HB SER 98 1HB SER 98 20.613 12.296 5.893 786 2HB SER 98 2HB SER 98 19.891 13.656 6.729 787 HG SER 98 HG SER 98 19.901 11.189 8.132 788 H GLY 99 H GLY 99 18.886 14.109 4.795 789 1HA GLY 99 1HA GLY 99 16.222 14.999 4.560 790 2HA GLY 99 2HA GLY 99 17.008 15.887 5.849 Start of MODEL 19 1 1H GLY 1 H GLY 1 2.918 -20.346 4.426 2 1HA GLY 1 1HA GLY 1 2.234 -20.539 1.680 3 2HA GLY 1 2HA GLY 1 1.811 -22.021 2.513 4 H SER 2 H SER 2 0.020 -22.090 3.889 5 HA SER 2 HA SER 2 -1.719 -19.859 3.680 6 1HB SER 2 1HB SER 2 -2.070 -22.391 5.341 7 2HB SER 2 2HB SER 2 -3.338 -21.291 4.836 8 HG SER 2 HG SER 2 -3.220 -22.016 2.749 9 H SER 3 H SER 3 -2.183 -18.300 5.242 10 HA SER 3 HA SER 3 -1.436 -18.786 7.950 11 1HB SER 3 1HB SER 3 -0.038 -16.646 8.049 12 2HB SER 3 2HB SER 3 0.720 -18.020 7.270 13 HG SER 3 HG SER 3 -0.106 -15.559 6.180 14 H GLY 4 H GLY 4 -1.780 -16.404 9.153 15 1HA GLY 4 1HA GLY 4 -4.496 -15.844 8.935 16 2HA GLY 4 2HA GLY 4 -3.296 -14.855 9.743 17 H SER 5 H SER 5 -2.926 -12.828 8.941 18 HA SER 5 HA SER 5 -3.858 -12.372 6.218 19 1HB SER 5 1HB SER 5 -4.228 -10.026 6.890 20 2HB SER 5 2HB SER 5 -5.115 -11.118 7.934 21 HG SER 5 HG SER 5 -3.171 -10.952 9.416 22 H SER 6 H SER 6 -2.478 -11.287 4.736 23 HA SER 6 HA SER 6 -0.311 -9.807 5.310 24 1HB SER 6 1HB SER 6 0.237 -12.678 5.733 25 2HB SER 6 2HB SER 6 1.349 -11.941 4.596 26 HG SER 6 HG SER 6 2.076 -11.782 6.830 27 H GLY 7 H GLY 7 1.547 -10.422 3.318 28 1HA GLY 7 1HA GLY 7 1.881 -10.554 1.090 29 2HA GLY 7 2HA GLY 7 0.350 -11.390 0.923 30 H LEU 8 H LEU 8 -1.690 -10.061 0.948 31 HA LEU 8 HA LEU 8 -1.634 -8.058 -0.894 32 1HB LEU 8 1HB LEU 8 -3.631 -8.376 1.350 33 2HB LEU 8 2HB LEU 8 -3.887 -7.525 -0.161 34 HG LEU 8 HG LEU 8 -4.908 -9.464 -0.714 35 1HD1 LEU 8 1HD1 LEU 8 -2.055 -10.357 -1.202 36 2HD1 LEU 8 2HD1 LEU 8 -3.517 -10.916 -2.049 37 3HD1 LEU 8 3HD1 LEU 8 -2.968 -9.233 -2.237 38 1HD2 LEU 8 1HD2 LEU 8 -3.819 -10.371 1.689 39 2HD2 LEU 8 2HD2 LEU 8 -5.012 -11.205 0.665 40 3HD2 LEU 8 3HD2 LEU 8 -3.277 -11.552 0.472 41 H LYS 9 H LYS 9 -1.449 -7.785 2.703 42 HA LYS 9 HA LYS 9 -1.653 -5.153 3.094 43 1HB LYS 9 1HB LYS 9 -0.311 -7.367 4.395 44 2HB LYS 9 2HB LYS 9 0.616 -5.894 4.594 45 1HG LYS 9 1HG LYS 9 -1.313 -4.713 5.520 46 2HG LYS 9 2HG LYS 9 -2.388 -6.036 5.112 47 1HD LYS 9 1HD LYS 9 -0.261 -7.152 6.685 48 2HD LYS 9 2HD LYS 9 -0.773 -5.686 7.496 49 1HE LYS 9 1HE LYS 9 -3.223 -6.746 6.870 50 2HE LYS 9 2HE LYS 9 -2.292 -8.223 7.019 51 1HZ LYS 9 1HZ LYS 9 -1.761 -7.725 9.199 52 2HZ LYS 9 2HZ LYS 9 -2.142 -6.142 9.068 53 3HZ LYS 9 3HZ LYS 9 -3.325 -7.267 9.093 54 H GLN 10 H GLN 10 1.512 -6.737 2.248 55 HA GLN 10 HA GLN 10 2.877 -4.400 1.887 56 1HB GLN 10 1HB GLN 10 3.424 -7.117 1.661 57 2HB GLN 10 2HB GLN 10 3.648 -6.561 0.014 58 1HG GLN 10 1HG GLN 10 4.868 -4.606 1.734 59 2HG GLN 10 2HG GLN 10 5.387 -6.181 2.301 60 1HE2 GLN 10 1HE2 GLN 10 5.929 -3.724 0.132 61 2HE2 GLN 10 2HE2 GLN 10 6.954 -4.523 -1.013 62 H LYS 11 H LYS 11 1.498 -6.509 -0.748 63 HA LYS 11 HA LYS 11 1.964 -4.902 -2.866 64 1HB LYS 11 1HB LYS 11 -0.465 -6.628 -2.309 65 2HB LYS 11 2HB LYS 11 -0.073 -5.955 -3.878 66 1HG LYS 11 1HG LYS 11 1.570 -7.496 -4.258 67 2HG LYS 11 2HG LYS 11 2.243 -7.308 -2.651 68 1HD LYS 11 1HD LYS 11 0.029 -8.631 -1.920 69 2HD LYS 11 2HD LYS 11 0.057 -9.172 -3.587 70 1HE LYS 11 1HE LYS 11 2.524 -9.358 -1.808 71 2HE LYS 11 2HE LYS 11 1.316 -10.627 -1.839 72 1HZ LYS 11 1HZ LYS 11 1.687 -10.387 -4.390 73 2HZ LYS 11 2HZ LYS 11 3.141 -9.803 -3.929 74 3HZ LYS 11 3HZ LYS 11 2.685 -11.306 -3.480 75 H VAL 12 H VAL 12 -1.181 -4.879 -1.035 76 HA VAL 12 HA VAL 12 -2.208 -2.631 -2.209 77 HB VAL 12 HB VAL 12 -2.513 -3.667 0.615 78 1HG1 VAL 12 1HG1 VAL 12 -4.247 -1.717 -0.940 79 2HG1 VAL 12 2HG1 VAL 12 -4.678 -2.460 0.619 80 3HG1 VAL 12 3HG1 VAL 12 -3.282 -1.361 0.513 81 1HG2 VAL 12 1HG2 VAL 12 -4.720 -4.112 -1.242 82 2HG2 VAL 12 2HG2 VAL 12 -3.205 -4.855 -1.808 83 3HG2 VAL 12 3HG2 VAL 12 -3.851 -5.265 -0.201 84 H GLU 13 H GLU 13 -0.152 -2.869 0.771 85 HA GLU 13 HA GLU 13 -0.136 -0.270 1.468 86 1HB GLU 13 1HB GLU 13 1.946 -2.453 1.629 87 2HB GLU 13 2HB GLU 13 2.369 -0.838 2.159 88 1HG GLU 13 1HG GLU 13 -0.249 -1.550 3.221 89 2HG GLU 13 2HG GLU 13 0.899 -2.818 3.604 90 H ASN 14 H ASN 14 2.143 -1.878 -0.865 91 HA ASN 14 HA ASN 14 3.514 0.440 -1.483 92 1HB ASN 14 1HB ASN 14 3.247 -2.310 -2.567 93 2HB ASN 14 2HB ASN 14 3.607 -1.131 -3.812 94 1HD2 ASN 14 1HD2 ASN 14 4.722 -2.821 -1.026 95 2HD2 ASN 14 2HD2 ASN 14 6.365 -2.273 -1.018 96 H LEU 15 H LEU 15 0.690 -1.251 -3.014 97 HA LEU 15 HA LEU 15 0.330 0.131 -5.283 98 1HB LEU 15 1HB LEU 15 -1.221 -1.482 -5.031 99 2HB LEU 15 2HB LEU 15 -1.447 -1.172 -3.321 100 HG LEU 15 HG LEU 15 -2.770 0.877 -3.929 101 1HD1 LEU 15 1HD1 LEU 15 -3.399 1.393 -6.096 102 2HD1 LEU 15 2HD1 LEU 15 -1.697 0.913 -6.295 103 3HD1 LEU 15 3HD1 LEU 15 -2.998 -0.227 -6.715 104 1HD2 LEU 15 1HD2 LEU 15 -4.776 -0.292 -4.205 105 2HD2 LEU 15 2HD2 LEU 15 -4.005 -1.584 -5.155 106 3HD2 LEU 15 3HD2 LEU 15 -3.695 -1.460 -3.407 107 H PHE 16 H PHE 16 -1.309 1.146 -2.199 108 HA PHE 16 HA PHE 16 -2.213 3.547 -2.991 109 1HB PHE 16 1HB PHE 16 -0.802 2.730 -0.380 110 2HB PHE 16 2HB PHE 16 -1.808 4.158 -0.516 111 HD1 PHE 16 1HD PHE 16 -2.080 1.605 1.277 112 HD2 PHE 16 2HD PHE 16 -3.939 2.867 -2.322 113 HE1 PHE 16 1HE PHE 16 -4.104 0.233 1.842 114 HE2 PHE 16 2HE PHE 16 -5.963 1.495 -1.758 115 HZ PHE 16 HZ PHE 16 -6.022 0.194 0.317 116 H ASN 17 H ASN 17 1.062 2.970 -1.510 117 HA ASN 17 HA ASN 17 1.945 5.522 -1.609 118 1HB ASN 17 1HB ASN 17 3.364 2.848 -1.946 119 2HB ASN 17 2HB ASN 17 4.282 4.339 -2.007 120 1HD2 ASN 17 1HD2 ASN 17 4.869 5.314 -0.196 121 2HD2 ASN 17 2HD2 ASN 17 4.367 4.891 1.407 122 H GLU 18 H GLU 18 2.232 2.903 -4.122 123 HA GLU 18 HA GLU 18 3.640 4.353 -5.971 124 1HB GLU 18 1HB GLU 18 2.076 1.871 -5.898 125 2HB GLU 18 2HB GLU 18 1.949 2.659 -7.459 126 1HG GLU 18 1HG GLU 18 4.712 2.709 -6.438 127 2HG GLU 18 2HG GLU 18 4.096 1.073 -6.553 128 H LYS 19 H LYS 19 0.043 3.822 -5.787 129 HA LYS 19 HA LYS 19 -0.725 5.320 -7.911 130 1HB LYS 19 1HB LYS 19 -2.031 4.936 -5.208 131 2HB LYS 19 2HB LYS 19 -2.827 5.749 -6.540 132 1HG LYS 19 1HG LYS 19 -1.751 2.890 -6.570 133 2HG LYS 19 2HG LYS 19 -3.440 3.353 -6.499 134 1HD LYS 19 1HD LYS 19 -2.463 4.749 -8.742 135 2HD LYS 19 2HD LYS 19 -1.641 3.204 -8.828 136 1HE LYS 19 1HE LYS 19 -3.955 2.105 -8.452 137 2HE LYS 19 2HE LYS 19 -4.649 3.692 -8.718 138 1HZ LYS 19 1HZ LYS 19 -4.311 3.494 -10.877 139 2HZ LYS 19 2HZ LYS 19 -2.755 3.025 -10.710 140 3HZ LYS 19 3HZ LYS 19 -3.954 1.919 -10.635 141 H CYS 20 H CYS 20 0.121 6.475 -4.595 142 HA CYS 20 HA CYS 20 -0.589 9.044 -4.710 143 1HB CYS 20 1HB CYS 20 0.646 7.855 -2.848 144 2HB CYS 20 2HB CYS 20 2.137 8.163 -3.716 145 HG CYS 20 HG CYS 20 0.961 10.850 -4.025 146 H GLY 21 H GLY 21 2.771 7.982 -5.642 147 1HA GLY 21 1HA GLY 21 3.613 10.238 -6.908 148 2HA GLY 21 2HA GLY 21 4.107 8.614 -7.345 149 H GLU 22 H GLU 22 1.705 7.503 -8.343 150 HA GLU 22 HA GLU 22 1.756 8.326 -10.926 151 1HB GLU 22 1HB GLU 22 0.532 6.305 -9.526 152 2HB GLU 22 2HB GLU 22 -0.864 7.266 -9.974 153 1HG GLU 22 1HG GLU 22 1.040 6.943 -12.210 154 2HG GLU 22 2HG GLU 22 0.453 5.405 -11.610 155 H ALA 23 H ALA 23 -0.419 9.391 -8.253 156 HA ALA 23 HA ALA 23 -2.207 10.879 -9.723 157 1HB ALA 23 1HB ALA 23 -1.090 11.614 -6.993 158 2HB ALA 23 2HB ALA 23 -2.713 11.960 -7.637 159 3HB ALA 23 3HB ALA 23 -2.246 10.286 -7.253 160 H LEU 24 H LEU 24 0.870 12.004 -8.140 161 HA LEU 24 HA LEU 24 0.697 14.540 -9.416 162 1HB LEU 24 1HB LEU 24 2.974 13.197 -7.952 163 2HB LEU 24 2HB LEU 24 2.931 14.879 -8.441 164 HG LEU 24 HG LEU 24 0.570 14.462 -6.949 165 1HD1 LEU 24 1HD1 LEU 24 1.135 12.568 -5.808 166 2HD1 LEU 24 2HD1 LEU 24 2.883 12.889 -5.902 167 3HD1 LEU 24 3HD1 LEU 24 1.874 13.788 -4.744 168 1HD2 LEU 24 1HD2 LEU 24 3.157 15.764 -6.058 169 2HD2 LEU 24 2HD2 LEU 24 1.949 16.521 -7.124 170 3HD2 LEU 24 3HD2 LEU 24 1.516 16.094 -5.451 171 H GLY 25 H GLY 25 1.595 11.390 -10.445 172 1HA GLY 25 1HA GLY 25 2.209 10.772 -12.555 173 2HA GLY 25 2HA GLY 25 2.527 12.445 -12.971 174 H LEU 26 H LEU 26 3.801 9.810 -10.815 175 HA LEU 26 HA LEU 26 6.490 10.695 -11.589 176 1HB LEU 26 1HB LEU 26 5.603 9.796 -8.844 177 2HB LEU 26 2HB LEU 26 7.254 10.137 -9.324 178 HG LEU 26 HG LEU 26 4.988 12.150 -9.258 179 1HD1 LEU 26 1HD1 LEU 26 6.902 12.982 -7.462 180 2HD1 LEU 26 2HD1 LEU 26 5.376 12.158 -7.060 181 3HD1 LEU 26 3HD1 LEU 26 6.879 11.217 -7.227 182 1HD2 LEU 26 1HD2 LEU 26 7.910 12.441 -9.981 183 2HD2 LEU 26 2HD2 LEU 26 6.485 12.809 -10.982 184 3HD2 LEU 26 3HD2 LEU 26 6.856 13.812 -9.559 185 H LYS 27 H LYS 27 8.142 8.905 -11.347 186 HA LYS 27 HA LYS 27 6.904 6.447 -12.298 187 1HB LYS 27 1HB LYS 27 9.055 5.909 -13.207 188 2HB LYS 27 2HB LYS 27 8.672 7.562 -13.643 189 1HG LYS 27 1HG LYS 27 9.994 8.202 -11.452 190 2HG LYS 27 2HG LYS 27 10.640 6.576 -11.552 191 1HD LYS 27 1HD LYS 27 10.703 8.113 -14.112 192 2HD LYS 27 2HD LYS 27 11.724 8.756 -12.841 193 1HE LYS 27 1HE LYS 27 12.438 6.179 -12.570 194 2HE LYS 27 2HE LYS 27 11.879 6.077 -14.228 195 1HZ LYS 27 1HZ LYS 27 13.348 8.271 -14.324 196 2HZ LYS 27 2HZ LYS 27 14.160 7.455 -13.165 197 3HZ LYS 27 3HZ LYS 27 13.940 6.782 -14.637 198 H GLN 28 H GLN 28 7.804 7.820 -9.377 199 HA GLN 28 HA GLN 28 8.503 5.188 -8.329 200 1HB GLN 28 1HB GLN 28 9.711 6.352 -6.510 201 2HB GLN 28 2HB GLN 28 10.357 6.791 -8.078 202 1HG GLN 28 1HG GLN 28 8.268 8.658 -7.584 203 2HG GLN 28 2HG GLN 28 9.113 8.498 -6.057 204 1HE2 GLN 28 1HE2 GLN 28 9.639 8.929 -9.538 205 2HE2 GLN 28 2HE2 GLN 28 11.041 9.941 -9.432 206 H ALA 29 H ALA 29 8.056 5.498 -5.638 207 HA ALA 29 HA ALA 29 5.169 5.899 -5.597 208 1HB ALA 29 1HB ALA 29 5.133 4.305 -3.946 209 2HB ALA 29 2HB ALA 29 6.667 3.837 -4.718 210 3HB ALA 29 3HB ALA 29 6.680 4.838 -3.246 211 H VAL 30 H VAL 30 4.222 6.973 -3.614 212 HA VAL 30 HA VAL 30 6.015 8.899 -2.379 213 HB VAL 30 HB VAL 30 3.507 9.696 -3.870 214 1HG1 VAL 30 1HG1 VAL 30 5.581 11.475 -2.552 215 2HG1 VAL 30 2HG1 VAL 30 4.026 11.958 -3.273 216 3HG1 VAL 30 3HG1 VAL 30 4.052 10.991 -1.779 217 1HG2 VAL 30 1HG2 VAL 30 6.435 9.893 -4.580 218 2HG2 VAL 30 2HG2 VAL 30 5.075 9.299 -5.564 219 3HG2 VAL 30 3HG2 VAL 30 5.244 11.041 -5.237 220 H LYS 31 H LYS 31 5.623 8.924 -0.226 221 HA LYS 31 HA LYS 31 3.909 7.315 1.058 222 1HB LYS 31 1HB LYS 31 5.721 9.230 1.787 223 2HB LYS 31 2HB LYS 31 4.228 9.954 2.350 224 1HG LYS 31 1HG LYS 31 3.796 7.435 3.248 225 2HG LYS 31 2HG LYS 31 5.548 7.396 3.226 226 1HD LYS 31 1HD LYS 31 4.187 9.788 4.471 227 2HD LYS 31 2HD LYS 31 4.206 8.283 5.369 228 1HE LYS 31 1HE LYS 31 6.214 9.194 6.113 229 2HE LYS 31 2HE LYS 31 6.805 8.295 4.729 230 1HZ LYS 31 1HZ LYS 31 7.650 10.345 4.336 231 2HZ LYS 31 2HZ LYS 31 6.248 10.494 3.512 232 3HZ LYS 31 3HZ LYS 31 6.396 11.155 4.998 233 H VAL 32 H VAL 32 1.818 7.532 2.092 234 HA VAL 32 HA VAL 32 0.088 9.361 0.583 235 HB VAL 32 HB VAL 32 -0.409 6.681 1.883 236 1HG1 VAL 32 1HG1 VAL 32 -2.593 7.106 2.037 237 2HG1 VAL 32 2HG1 VAL 32 -2.252 8.807 1.639 238 3HG1 VAL 32 3HG1 VAL 32 -2.650 7.652 0.344 239 1HG2 VAL 32 1HG2 VAL 32 -0.656 7.590 -1.005 240 2HG2 VAL 32 2HG2 VAL 32 0.689 6.639 -0.330 241 3HG2 VAL 32 3HG2 VAL 32 -0.951 5.949 -0.382 242 HA PRO 33 HA PRO 33 -0.174 11.267 4.544 243 1HB PRO 33 1HB PRO 33 -1.149 13.665 3.669 244 2HB PRO 33 2HB PRO 33 0.564 13.307 3.771 245 1HG PRO 33 1HG PRO 33 -1.161 13.447 1.374 246 2HG PRO 33 2HG PRO 33 0.587 13.515 1.474 247 1HD PRO 33 1HD PRO 33 -0.999 11.271 0.654 248 2HD PRO 33 2HD PRO 33 0.740 11.303 0.865 249 H PHE 34 H PHE 34 -1.825 9.391 4.632 250 HA PHE 34 HA PHE 34 -4.402 9.612 4.024 251 1HB PHE 34 1HB PHE 34 -2.981 8.778 6.611 252 2HB PHE 34 2HB PHE 34 -4.701 8.506 6.411 253 HD1 PHE 34 1HD PHE 34 -1.362 7.467 5.378 254 HD2 PHE 34 2HD PHE 34 -5.522 6.863 4.797 255 HE1 PHE 34 1HE PHE 34 -0.883 5.303 4.199 256 HE2 PHE 34 2HE PHE 34 -5.043 4.699 3.618 257 HZ PHE 34 HZ PHE 34 -2.729 3.945 3.333 258 H ALA 35 H ALA 35 -2.713 11.431 6.616 259 HA ALA 35 HA ALA 35 -4.900 12.400 7.978 260 1HB ALA 35 1HB ALA 35 -3.368 13.800 8.988 261 2HB ALA 35 2HB ALA 35 -2.250 12.631 8.247 262 3HB ALA 35 3HB ALA 35 -2.555 14.196 7.455 263 H LEU 36 H LEU 36 -3.178 13.839 5.120 264 HA LEU 36 HA LEU 36 -4.720 16.077 4.833 265 1HB LEU 36 1HB LEU 36 -3.085 14.370 3.039 266 2HB LEU 36 2HB LEU 36 -4.185 15.494 2.268 267 HG LEU 36 HG LEU 36 -3.093 17.260 3.871 268 1HD1 LEU 36 1HD1 LEU 36 -1.764 15.139 4.871 269 2HD1 LEU 36 2HD1 LEU 36 -0.604 15.669 3.629 270 3HD1 LEU 36 3HD1 LEU 36 -1.133 16.804 4.894 271 1HD2 LEU 36 1HD2 LEU 36 -1.117 16.565 1.809 272 2HD2 LEU 36 2HD2 LEU 36 -2.798 16.619 1.227 273 3HD2 LEU 36 3HD2 LEU 36 -2.088 18.041 2.029 274 H PHE 37 H PHE 37 -5.343 12.738 3.591 275 HA PHE 37 HA PHE 37 -7.722 13.443 2.272 276 1HB PHE 37 1HB PHE 37 -6.578 10.860 3.487 277 2HB PHE 37 2HB PHE 37 -8.025 10.863 2.499 278 HD1 PHE 37 1HD PHE 37 -4.389 11.445 2.474 279 HD2 PHE 37 2HD PHE 37 -7.896 11.045 0.119 280 HE1 PHE 37 1HE PHE 37 -2.978 11.247 0.407 281 HE2 PHE 37 2HE PHE 37 -6.485 10.847 -1.948 282 HZ PHE 37 HZ PHE 37 -4.043 10.950 -1.779 283 H GLU 38 H GLU 38 -6.937 13.134 5.627 284 HA GLU 38 HA GLU 38 -9.667 12.459 6.301 285 1HB GLU 38 1HB GLU 38 -8.673 11.408 8.031 286 2HB GLU 38 2HB GLU 38 -7.108 12.000 7.511 287 1HG GLU 38 1HG GLU 38 -7.315 14.011 8.842 288 2HG GLU 38 2HG GLU 38 -9.020 13.732 9.132 289 H SER 39 H SER 39 -7.175 14.984 7.117 290 HA SER 39 HA SER 39 -9.096 16.649 8.311 291 1HB SER 39 1HB SER 39 -6.276 17.215 7.297 292 2HB SER 39 2HB SER 39 -7.225 18.360 8.224 293 HG SER 39 HG SER 39 -5.672 16.373 9.161 294 H PHE 40 H PHE 40 -7.777 16.228 5.031 295 HA PHE 40 HA PHE 40 -9.570 18.375 4.143 296 1HB PHE 40 1HB PHE 40 -6.941 17.457 2.849 297 2HB PHE 40 2HB PHE 40 -7.842 18.909 2.460 298 HD1 PHE 40 1HD PHE 40 -8.272 20.392 4.755 299 HD2 PHE 40 2HD PHE 40 -4.973 17.843 3.963 300 HE1 PHE 40 1HE PHE 40 -6.874 21.696 6.382 301 HE2 PHE 40 2HE PHE 40 -3.575 19.147 5.589 302 HZ PHE 40 HZ PHE 40 -4.542 21.058 6.779 303 HA PRO 41 HA PRO 41 -10.661 14.474 2.097 304 1HB PRO 41 1HB PRO 41 -13.323 14.460 2.715 305 2HB PRO 41 2HB PRO 41 -12.115 13.615 3.662 306 1HG PRO 41 1HG PRO 41 -13.529 16.135 4.286 307 2HG PRO 41 2HG PRO 41 -12.660 15.066 5.369 308 1HD PRO 41 1HD PRO 41 -11.742 17.579 4.334 309 2HD PRO 41 2HD PRO 41 -10.830 16.457 5.323 310 H GLU 42 H GLU 42 -12.021 17.646 2.078 311 HA GLU 42 HA GLU 42 -13.254 17.154 -0.462 312 1HB GLU 42 1HB GLU 42 -13.453 19.142 1.653 313 2HB GLU 42 2HB GLU 42 -13.232 19.945 0.111 314 1HG GLU 42 1HG GLU 42 -15.135 18.702 -0.859 315 2HG GLU 42 2HG GLU 42 -15.314 17.767 0.612 316 H ASP 43 H ASP 43 -10.579 16.552 -0.714 317 HA ASP 43 HA ASP 43 -9.826 18.360 -2.721 318 1HB ASP 43 1HB ASP 43 -8.316 18.377 -0.082 319 2HB ASP 43 2HB ASP 43 -7.496 18.773 -1.579 320 H PHE 44 H PHE 44 -8.892 15.831 -0.315 321 HA PHE 44 HA PHE 44 -7.472 14.438 -2.476 322 1HB PHE 44 1HB PHE 44 -7.068 14.257 0.566 323 2HB PHE 44 2HB PHE 44 -6.017 13.566 -0.654 324 HD1 PHE 44 1HD PHE 44 -5.319 15.548 -2.481 325 HD2 PHE 44 2HD PHE 44 -6.145 16.056 1.650 326 HE1 PHE 44 1HE PHE 44 -3.921 17.633 -2.458 327 HE2 PHE 44 2HE PHE 44 -4.747 18.141 1.674 328 HZ PHE 44 HZ PHE 44 -3.652 18.904 -0.381 329 H TYR 45 H TYR 45 -8.448 12.579 -3.113 330 HA TYR 45 HA TYR 45 -9.525 10.780 -1.173 331 1HB TYR 45 1HB TYR 45 -11.840 10.905 -2.274 332 2HB TYR 45 2HB TYR 45 -11.421 12.366 -1.403 333 HD1 TYR 45 1HD TYR 45 -12.074 10.900 -4.685 334 HD2 TYR 45 2HD TYR 45 -10.803 14.431 -2.630 335 HE1 TYR 45 1HE TYR 45 -12.484 12.278 -6.783 336 HE2 TYR 45 2HE TYR 45 -11.217 15.796 -4.734 337 HH TYR 45 HH TYR 45 -12.182 14.215 -7.748 338 H VAL 46 H VAL 46 -10.022 8.689 -2.099 339 HA VAL 46 HA VAL 46 -8.814 8.393 -4.752 340 HB VAL 46 HB VAL 46 -9.187 6.487 -2.437 341 1HG1 VAL 46 1HG1 VAL 46 -9.526 5.249 -4.501 342 2HG1 VAL 46 2HG1 VAL 46 -8.046 5.949 -5.200 343 3HG1 VAL 46 3HG1 VAL 46 -7.938 4.841 -3.810 344 1HG2 VAL 46 1HG2 VAL 46 -6.598 7.365 -3.733 345 2HG2 VAL 46 2HG2 VAL 46 -7.342 8.263 -2.388 346 3HG2 VAL 46 3HG2 VAL 46 -6.842 6.570 -2.159 347 H GLU 47 H GLU 47 -9.877 7.161 -6.381 348 HA GLU 47 HA GLU 47 -12.641 6.510 -5.747 349 1HB GLU 47 1HB GLU 47 -11.706 7.976 -8.254 350 2HB GLU 47 2HB GLU 47 -13.346 7.439 -7.950 351 1HG GLU 47 1HG GLU 47 -12.379 8.979 -5.669 352 2HG GLU 47 2HG GLU 47 -12.145 9.899 -7.142 353 H GLY 48 H GLY 48 -13.458 4.643 -6.791 354 1HA GLY 48 1HA GLY 48 -13.220 3.147 -8.719 355 2HA GLY 48 2HA GLY 48 -11.488 3.193 -8.458 356 H LEU 49 H LEU 49 -11.880 3.245 -5.423 357 HA LEU 49 HA LEU 49 -11.407 0.680 -4.816 358 1HB LEU 49 1HB LEU 49 -12.907 2.743 -3.201 359 2HB LEU 49 2HB LEU 49 -12.337 1.220 -2.546 360 HG LEU 49 HG LEU 49 -10.356 2.995 -3.919 361 1HD1 LEU 49 1HD1 LEU 49 -10.579 3.567 -1.061 362 2HD1 LEU 49 2HD1 LEU 49 -10.379 4.668 -2.445 363 3HD1 LEU 49 3HD1 LEU 49 -12.002 4.093 -1.993 364 1HD2 LEU 49 1HD2 LEU 49 -8.875 2.088 -2.138 365 2HD2 LEU 49 2HD2 LEU 49 -10.242 1.112 -1.549 366 3HD2 LEU 49 3HD2 LEU 49 -9.592 0.837 -3.183 367 HA PRO 50 HA PRO 50 -15.043 -1.578 -5.366 368 1HB PRO 50 1HB PRO 50 -14.682 -3.656 -3.628 369 2HB PRO 50 2HB PRO 50 -13.917 -3.580 -5.202 370 1HG PRO 50 1HG PRO 50 -12.722 -3.124 -2.537 371 2HG PRO 50 2HG PRO 50 -11.919 -3.470 -4.056 372 1HD PRO 50 1HD PRO 50 -12.112 -0.919 -2.760 373 2HD PRO 50 2HD PRO 50 -11.411 -1.245 -4.332 374 H GLU 51 H GLU 51 -17.169 -1.975 -4.699 375 HA GLU 51 HA GLU 51 -18.081 -0.187 -2.869 376 1HB GLU 51 1HB GLU 51 -19.164 -2.242 -4.518 377 2HB GLU 51 2HB GLU 51 -19.798 -2.535 -2.911 378 1HG GLU 51 1HG GLU 51 -21.321 -0.902 -3.321 379 2HG GLU 51 2HG GLU 51 -20.009 0.251 -3.179 380 H GLY 52 H GLY 52 -18.559 -0.198 -0.643 381 1HA GLY 52 1HA GLY 52 -18.553 -0.903 1.500 382 2HA GLY 52 2HA GLY 52 -18.444 -2.560 0.941 383 H VAL 53 H VAL 53 -16.004 -0.585 -0.487 384 HA VAL 53 HA VAL 53 -14.112 -1.274 1.646 385 HB VAL 53 HB VAL 53 -13.637 -1.638 -1.318 386 1HG1 VAL 53 1HG1 VAL 53 -11.851 -1.390 0.874 387 2HG1 VAL 53 2HG1 VAL 53 -11.846 -3.103 0.390 388 3HG1 VAL 53 3HG1 VAL 53 -11.476 -1.838 -0.808 389 1HG2 VAL 53 1HG2 VAL 53 -15.311 -3.234 -0.106 390 2HG2 VAL 53 2HG2 VAL 53 -14.024 -3.922 -1.126 391 3HG2 VAL 53 3HG2 VAL 53 -13.846 -3.911 0.645 392 HA PRO 54 HA PRO 54 -13.624 3.049 0.738 393 1HB PRO 54 1HB PRO 54 -12.929 3.815 3.267 394 2HB PRO 54 2HB PRO 54 -14.585 3.786 2.696 395 1HG PRO 54 1HG PRO 54 -13.221 1.901 4.519 396 2HG PRO 54 2HG PRO 54 -14.939 2.142 4.274 397 1HD PRO 54 1HD PRO 54 -13.347 -0.016 3.257 398 2HD PRO 54 2HD PRO 54 -15.039 0.289 2.918 399 H PHE 55 H PHE 55 -11.748 4.690 1.416 400 HA PHE 55 HA PHE 55 -9.398 3.248 0.542 401 1HB PHE 55 1HB PHE 55 -10.110 5.433 -0.473 402 2HB PHE 55 2HB PHE 55 -10.098 6.191 1.107 403 HD1 PHE 55 1HD PHE 55 -7.489 3.853 -0.046 404 HD2 PHE 55 2HD PHE 55 -8.542 7.916 0.579 405 HE1 PHE 55 1HE PHE 55 -5.095 4.526 -0.385 406 HE2 PHE 55 2HE PHE 55 -6.148 8.589 0.240 407 HZ PHE 55 HZ PHE 55 -4.453 6.886 -0.239 408 H ARG 56 H ARG 56 -10.315 2.606 3.221 409 HA ARG 56 HA ARG 56 -8.920 4.135 5.090 410 1HB ARG 56 1HB ARG 56 -10.361 1.504 5.045 411 2HB ARG 56 2HB ARG 56 -9.197 1.705 6.339 412 1HG ARG 56 1HG ARG 56 -11.103 3.980 5.813 413 2HG ARG 56 2HG ARG 56 -11.749 2.541 6.575 414 1HD ARG 56 1HD ARG 56 -9.179 3.718 7.656 415 2HD ARG 56 2HD ARG 56 -10.693 4.512 8.044 416 HE ARG 56 HE ARG 56 -10.895 1.657 8.492 417 1HH1 ARG 56 2HH2 ARG 56 -9.598 4.615 9.887 418 2HH1 ARG 56 1HH2 ARG 56 -9.636 4.017 11.512 419 1HH2 ARG 56 2HH1 ARG 56 -10.946 0.867 10.635 420 2HH2 ARG 56 1HH1 ARG 56 -10.408 1.870 11.940 421 H ARG 57 H ARG 57 -7.365 2.553 6.686 422 HA ARG 57 HA ARG 57 -5.031 2.333 5.171 423 1HB ARG 57 1HB ARG 57 -5.825 1.684 8.023 424 2HB ARG 57 2HB ARG 57 -4.270 1.126 7.437 425 1HG ARG 57 1HG ARG 57 -3.373 3.210 7.577 426 2HG ARG 57 2HG ARG 57 -4.692 3.913 6.663 427 1HD ARG 57 1HD ARG 57 -5.641 3.179 9.320 428 2HD ARG 57 2HD ARG 57 -4.195 4.158 9.468 429 HE ARG 57 HE ARG 57 -5.813 5.417 7.517 430 1HH1 ARG 57 2HH2 ARG 57 -5.995 4.635 10.943 431 2HH1 ARG 57 1HH2 ARG 57 -7.025 5.974 11.325 432 1HH2 ARG 57 2HH1 ARG 57 -7.171 7.185 8.020 433 2HH2 ARG 57 1HH1 ARG 57 -7.698 7.434 9.651 434 HA PRO 58 HA PRO 58 -5.216 -1.876 4.043 435 1HB PRO 58 1HB PRO 58 -2.572 -2.512 3.777 436 2HB PRO 58 2HB PRO 58 -3.476 -1.644 2.553 437 1HG PRO 58 1HG PRO 58 -1.478 -0.603 4.466 438 2HG PRO 58 2HG PRO 58 -2.066 0.129 2.987 439 1HD PRO 58 1HD PRO 58 -2.806 0.839 5.666 440 2HD PRO 58 2HD PRO 58 -3.479 1.491 4.185 441 H SER 59 H SER 59 -2.840 -1.282 6.576 442 HA SER 59 HA SER 59 -2.957 -3.924 7.487 443 1HB SER 59 1HB SER 59 -1.068 -2.343 7.922 444 2HB SER 59 2HB SER 59 -2.109 -1.391 8.962 445 HG SER 59 HG SER 59 -2.422 -3.574 10.143 446 H THR 60 H THR 60 -5.508 -3.825 7.303 447 HA THR 60 HA THR 60 -6.543 -3.967 9.901 448 HB THR 60 HB THR 60 -6.457 -1.304 8.770 449 HG1 THR 60 1HG THR 60 -7.750 -2.669 11.024 450 1HG2 THR 60 1HG2 THR 60 -8.656 -1.786 7.713 451 2HG2 THR 60 2HG2 THR 60 -9.250 -2.475 9.243 452 3HG2 THR 60 3HG2 THR 60 -8.882 -0.737 9.134 453 H PHE 61 H PHE 61 -7.215 -3.387 6.414 454 HA PHE 61 HA PHE 61 -9.760 -4.431 6.354 455 1HB PHE 61 1HB PHE 61 -7.366 -4.413 4.438 456 2HB PHE 61 2HB PHE 61 -8.913 -5.052 3.921 457 HD1 PHE 61 1HD PHE 61 -7.102 -2.475 3.177 458 HD2 PHE 61 2HD PHE 61 -10.777 -3.129 5.194 459 HE1 PHE 61 1HE PHE 61 -7.852 -0.160 2.561 460 HE2 PHE 61 2HE PHE 61 -11.527 -0.814 4.578 461 HZ PHE 61 HZ PHE 61 -10.056 0.643 3.269 462 H GLY 62 H GLY 62 -10.587 -6.531 5.660 463 1HA GLY 62 1HA GLY 62 -9.448 -8.692 7.038 464 2HA GLY 62 2HA GLY 62 -10.734 -8.765 5.851 465 H ILE 63 H ILE 63 -9.183 -10.906 5.717 466 HA ILE 63 HA ILE 63 -6.812 -10.588 4.219 467 HB ILE 63 HB ILE 63 -8.596 -12.916 4.882 468 1HG1 ILE 63 1HG1 ILE 63 -5.747 -12.768 5.705 469 2HG1 ILE 63 2HG1 ILE 63 -6.817 -11.588 6.436 470 1HG2 ILE 63 1HG2 ILE 63 -5.960 -13.107 3.408 471 2HG2 ILE 63 2HG2 ILE 63 -7.073 -14.428 3.840 472 3HG2 ILE 63 3HG2 ILE 63 -7.553 -13.222 2.622 473 1HD1 ILE 63 1HD1 ILE 63 -7.642 -14.504 6.315 474 2HD1 ILE 63 2HD1 ILE 63 -6.542 -13.927 7.590 475 3HD1 ILE 63 3HD1 ILE 63 -8.177 -13.238 7.446 476 HA PRO 64 HA PRO 64 -9.756 -11.520 0.626 477 1HB PRO 64 1HB PRO 64 -12.444 -11.180 0.982 478 2HB PRO 64 2HB PRO 64 -11.651 -12.738 1.100 479 1HG PRO 64 1HG PRO 64 -12.677 -11.011 3.269 480 2HG PRO 64 2HG PRO 64 -12.280 -12.717 3.319 481 1HD PRO 64 1HD PRO 64 -10.709 -10.558 4.365 482 2HD PRO 64 2HD PRO 64 -10.260 -12.251 4.311 483 H ARG 65 H ARG 65 -11.278 -9.046 2.638 484 HA ARG 65 HA ARG 65 -11.961 -7.330 0.712 485 1HB ARG 65 1HB ARG 65 -11.471 -7.219 3.548 486 2HB ARG 65 2HB ARG 65 -10.727 -5.795 2.848 487 1HG ARG 65 1HG ARG 65 -13.088 -5.738 1.494 488 2HG ARG 65 2HG ARG 65 -13.625 -6.579 2.935 489 1HD ARG 65 1HD ARG 65 -11.906 -4.166 3.399 490 2HD ARG 65 2HD ARG 65 -13.500 -3.853 2.744 491 HE ARG 65 HE ARG 65 -13.671 -5.721 4.945 492 1HH1 ARG 65 2HH2 ARG 65 -13.216 -2.306 4.231 493 2HH1 ARG 65 1HH2 ARG 65 -13.853 -1.772 5.751 494 1HH2 ARG 65 2HH1 ARG 65 -14.512 -5.017 6.950 495 2HH2 ARG 65 1HH1 ARG 65 -14.595 -3.325 7.307 496 H LEU 66 H LEU 66 -8.689 -7.890 2.097 497 HA LEU 66 HA LEU 66 -7.406 -5.698 0.973 498 1HB LEU 66 1HB LEU 66 -6.572 -8.385 1.978 499 2HB LEU 66 2HB LEU 66 -5.408 -7.417 1.096 500 HG LEU 66 HG LEU 66 -6.908 -6.296 3.462 501 1HD1 LEU 66 1HD1 LEU 66 -5.635 -7.334 4.985 502 2HD1 LEU 66 2HD1 LEU 66 -5.358 -8.535 3.700 503 3HD1 LEU 66 3HD1 LEU 66 -4.170 -7.239 3.978 504 1HD2 LEU 66 1HD2 LEU 66 -4.929 -4.816 3.607 505 2HD2 LEU 66 2HD2 LEU 66 -4.287 -5.570 2.127 506 3HD2 LEU 66 3HD2 LEU 66 -5.813 -4.655 2.070 507 H GLU 67 H GLU 67 -7.595 -9.116 -0.260 508 HA GLU 67 HA GLU 67 -6.305 -8.681 -2.603 509 1HB GLU 67 1HB GLU 67 -8.509 -10.591 -1.792 510 2HB GLU 67 2HB GLU 67 -7.913 -10.601 -3.440 511 1HG GLU 67 1HG GLU 67 -5.522 -10.649 -2.194 512 2HG GLU 67 2HG GLU 67 -6.475 -11.335 -0.893 513 H LYS 68 H LYS 68 -9.743 -8.051 -1.763 514 HA LYS 68 HA LYS 68 -10.768 -7.606 -4.261 515 1HB LYS 68 1HB LYS 68 -11.423 -6.083 -1.721 516 2HB LYS 68 2HB LYS 68 -12.445 -6.229 -3.136 517 1HG LYS 68 1HG LYS 68 -11.963 -8.879 -2.656 518 2HG LYS 68 2HG LYS 68 -11.822 -8.261 -1.023 519 1HD LYS 68 1HD LYS 68 -14.213 -7.955 -2.893 520 2HD LYS 68 2HD LYS 68 -14.149 -8.895 -1.416 521 1HE LYS 68 1HE LYS 68 -13.408 -6.437 -0.442 522 2HE LYS 68 2HE LYS 68 -14.432 -5.937 -1.774 523 1HZ LYS 68 1HZ LYS 68 -15.980 -6.253 -0.195 524 2HZ LYS 68 2HZ LYS 68 -15.949 -7.790 -0.744 525 3HZ LYS 68 3HZ LYS 68 -15.139 -7.393 0.617 526 H ILE 69 H ILE 69 -9.524 -5.002 -2.045 527 HA ILE 69 HA ILE 69 -9.572 -2.918 -3.713 528 HB ILE 69 HB ILE 69 -7.415 -3.695 -1.753 529 1HG1 ILE 69 1HG1 ILE 69 -9.356 -1.559 -1.127 530 2HG1 ILE 69 2HG1 ILE 69 -10.059 -3.156 -1.287 531 1HG2 ILE 69 1HG2 ILE 69 -6.361 -1.712 -1.992 532 2HG2 ILE 69 2HG2 ILE 69 -7.015 -1.820 -3.644 533 3HG2 ILE 69 3HG2 ILE 69 -7.853 -0.839 -2.417 534 1HD1 ILE 69 1HD1 ILE 69 -7.793 -2.316 0.569 535 2HD1 ILE 69 2HD1 ILE 69 -9.407 -2.914 1.022 536 3HD1 ILE 69 3HD1 ILE 69 -8.226 -4.018 0.278 537 H LEU 70 H LEU 70 -6.799 -5.261 -3.518 538 HA LEU 70 HA LEU 70 -5.276 -4.212 -5.518 539 1HB LEU 70 1HB LEU 70 -5.643 -6.875 -4.287 540 2HB LEU 70 2HB LEU 70 -4.849 -6.863 -5.849 541 HG LEU 70 HG LEU 70 -3.863 -4.945 -3.780 542 1HD1 LEU 70 1HD1 LEU 70 -3.321 -7.925 -3.694 543 2HD1 LEU 70 2HD1 LEU 70 -2.397 -6.690 -2.805 544 3HD1 LEU 70 3HD1 LEU 70 -4.123 -6.940 -2.447 545 1HD2 LEU 70 1HD2 LEU 70 -1.772 -5.227 -4.859 546 2HD2 LEU 70 2HD2 LEU 70 -2.325 -6.686 -5.715 547 3HD2 LEU 70 3HD2 LEU 70 -2.993 -5.094 -6.147 548 H ARG 71 H ARG 71 -7.704 -6.892 -5.931 549 HA ARG 71 HA ARG 71 -7.611 -7.224 -8.531 550 1HB ARG 71 1HB ARG 71 -10.103 -6.968 -6.783 551 2HB ARG 71 2HB ARG 71 -10.176 -7.563 -8.429 552 1HG ARG 71 1HG ARG 71 -8.979 -9.528 -7.927 553 2HG ARG 71 2HG ARG 71 -8.174 -8.814 -6.544 554 1HD ARG 71 1HD ARG 71 -9.955 -9.225 -5.108 555 2HD ARG 71 2HD ARG 71 -11.162 -9.001 -6.359 556 HE ARG 71 HE ARG 71 -9.835 -11.505 -5.647 557 1HH1 ARG 71 2HH2 ARG 71 -11.484 -9.777 -8.231 558 2HH1 ARG 71 1HH2 ARG 71 -11.966 -11.219 -9.061 559 1HH2 ARG 71 2HH1 ARG 71 -10.470 -13.408 -6.742 560 2HH2 ARG 71 1HH1 ARG 71 -11.385 -13.298 -8.209 561 H ASN 72 H ASN 72 -9.106 -4.429 -6.837 562 HA ASN 72 HA ASN 72 -9.728 -3.292 -9.441 563 1HB ASN 72 1HB ASN 72 -10.745 -2.747 -6.618 564 2HB ASN 72 2HB ASN 72 -10.990 -1.570 -7.893 565 1HD2 ASN 72 1HD2 ASN 72 -13.192 -2.440 -6.847 566 2HD2 ASN 72 2HD2 ASN 72 -14.032 -3.594 -7.828 567 H LYS 73 H LYS 73 -7.037 -3.259 -8.974 568 HA LYS 73 HA LYS 73 -6.338 -0.863 -7.503 569 1HB LYS 73 1HB LYS 73 -4.047 -1.566 -7.856 570 2HB LYS 73 2HB LYS 73 -4.995 -2.903 -7.237 571 1HG LYS 73 1HG LYS 73 -5.168 -3.912 -9.452 572 2HG LYS 73 2HG LYS 73 -4.485 -2.490 -10.217 573 1HD LYS 73 1HD LYS 73 -2.429 -3.417 -9.997 574 2HD LYS 73 2HD LYS 73 -2.575 -3.242 -8.260 575 1HE LYS 73 1HE LYS 73 -3.907 -5.483 -8.318 576 2HE LYS 73 2HE LYS 73 -3.308 -5.663 -9.955 577 1HZ LYS 73 1HZ LYS 73 -1.984 -6.302 -7.672 578 2HZ LYS 73 2HZ LYS 73 -1.345 -6.243 -9.174 579 3HZ LYS 73 3HZ LYS 73 -1.233 -4.946 -8.188 580 H ALA 74 H ALA 74 -6.870 -2.010 -10.810 581 HA ALA 74 HA ALA 74 -5.504 0.170 -12.039 582 1HB ALA 74 1HB ALA 74 -6.213 -0.815 -14.056 583 2HB ALA 74 2HB ALA 74 -6.067 -2.204 -12.952 584 3HB ALA 74 3HB ALA 74 -7.669 -1.517 -13.312 585 H LYS 75 H LYS 75 -8.911 -0.622 -11.150 586 HA LYS 75 HA LYS 75 -10.015 1.662 -12.361 587 1HB LYS 75 1HB LYS 75 -11.092 0.008 -10.058 588 2HB LYS 75 2HB LYS 75 -12.012 1.099 -11.074 589 1HG LYS 75 1HG LYS 75 -10.409 -1.109 -12.383 590 2HG LYS 75 2HG LYS 75 -11.927 -1.515 -11.606 591 1HD LYS 75 1HD LYS 75 -13.206 -0.311 -13.141 592 2HD LYS 75 2HD LYS 75 -11.943 0.866 -13.441 593 1HE LYS 75 1HE LYS 75 -10.638 -0.906 -14.687 594 2HE LYS 75 2HE LYS 75 -11.970 -2.020 -14.448 595 1HZ LYS 75 1HZ LYS 75 -12.134 0.547 -15.870 596 2HZ LYS 75 2HZ LYS 75 -12.126 -0.932 -16.562 597 3HZ LYS 75 3HZ LYS 75 -13.387 -0.473 -15.632 598 H ILE 76 H ILE 76 -8.619 0.982 -9.126 599 HA ILE 76 HA ILE 76 -9.474 3.217 -7.789 600 HB ILE 76 HB ILE 76 -7.119 1.408 -7.626 601 1HG1 ILE 76 1HG1 ILE 76 -9.165 2.225 -5.548 602 2HG1 ILE 76 2HG1 ILE 76 -9.405 0.907 -6.677 603 1HG2 ILE 76 1HG2 ILE 76 -6.525 2.801 -5.485 604 2HG2 ILE 76 2HG2 ILE 76 -5.866 3.255 -7.074 605 3HG2 ILE 76 3HG2 ILE 76 -7.256 4.139 -6.402 606 1HD1 ILE 76 1HD1 ILE 76 -8.526 -0.050 -4.637 607 2HD1 ILE 76 2HD1 ILE 76 -7.218 -0.106 -5.842 608 3HD1 ILE 76 3HD1 ILE 76 -7.209 1.146 -4.577 609 H LYS 77 H LYS 77 -8.729 5.355 -7.537 610 HA LYS 77 HA LYS 77 -6.515 6.220 -9.174 611 1HB LYS 77 1HB LYS 77 -8.880 6.205 -10.458 612 2HB LYS 77 2HB LYS 77 -9.022 7.756 -9.655 613 1HG LYS 77 1HG LYS 77 -6.942 8.553 -10.644 614 2HG LYS 77 2HG LYS 77 -6.546 6.956 -11.247 615 1HD LYS 77 1HD LYS 77 -7.498 7.689 -13.194 616 2HD LYS 77 2HD LYS 77 -9.015 7.310 -12.403 617 1HE LYS 77 1HE LYS 77 -9.304 9.548 -13.163 618 2HE LYS 77 2HE LYS 77 -8.958 9.722 -11.454 619 1HZ LYS 77 1HZ LYS 77 -6.597 9.674 -13.017 620 2HZ LYS 77 2HZ LYS 77 -7.594 10.885 -13.471 621 3HZ LYS 77 3HZ LYS 77 -7.091 10.779 -11.921 622 H PHE 78 H PHE 78 -5.479 7.980 -8.270 623 HA PHE 78 HA PHE 78 -6.608 8.857 -5.732 624 1HB PHE 78 1HB PHE 78 -3.914 8.690 -7.119 625 2HB PHE 78 2HB PHE 78 -4.097 9.953 -5.918 626 HD1 PHE 78 1HD PHE 78 -3.057 9.361 -3.955 627 HD2 PHE 78 2HD PHE 78 -5.215 6.387 -6.077 628 HE1 PHE 78 1HE PHE 78 -2.561 7.704 -2.137 629 HE2 PHE 78 2HE PHE 78 -4.719 4.729 -4.258 630 HZ PHE 78 HZ PHE 78 -3.398 5.408 -2.310 631 H ILE 79 H ILE 79 -7.508 10.850 -5.479 632 HA ILE 79 HA ILE 79 -7.091 12.750 -7.672 633 HB ILE 79 HB ILE 79 -9.312 12.773 -5.639 634 1HG1 ILE 79 1HG1 ILE 79 -9.573 10.658 -6.656 635 2HG1 ILE 79 2HG1 ILE 79 -10.698 11.725 -7.472 636 1HG2 ILE 79 1HG2 ILE 79 -9.657 14.765 -6.580 637 2HG2 ILE 79 2HG2 ILE 79 -8.531 14.431 -7.916 638 3HG2 ILE 79 3HG2 ILE 79 -10.215 13.862 -8.009 639 1HD1 ILE 79 1HD1 ILE 79 -8.519 12.078 -9.076 640 2HD1 ILE 79 2HD1 ILE 79 -8.224 10.415 -8.515 641 3HD1 ILE 79 3HD1 ILE 79 -9.741 10.815 -9.356 642 H ILE 80 H ILE 80 -6.202 14.752 -7.288 643 HA ILE 80 HA ILE 80 -5.761 15.469 -4.487 644 HB ILE 80 HB ILE 80 -3.603 15.646 -6.584 645 1HG1 ILE 80 1HG1 ILE 80 -4.351 13.397 -4.762 646 2HG1 ILE 80 2HG1 ILE 80 -3.717 13.357 -6.396 647 1HG2 ILE 80 1HG2 ILE 80 -3.121 15.664 -3.635 648 2HG2 ILE 80 2HG2 ILE 80 -2.220 16.452 -4.952 649 3HG2 ILE 80 3HG2 ILE 80 -3.772 17.131 -4.404 650 1HD1 ILE 80 1HD1 ILE 80 -2.250 13.645 -3.791 651 2HD1 ILE 80 2HD1 ILE 80 -1.806 12.725 -5.248 652 3HD1 ILE 80 3HD1 ILE 80 -1.580 14.490 -5.207 653 H LYS 81 H LYS 81 -6.849 17.340 -4.217 654 HA LYS 81 HA LYS 81 -7.078 19.112 -6.521 655 1HB LYS 81 1HB LYS 81 -8.506 19.301 -3.857 656 2HB LYS 81 2HB LYS 81 -8.902 20.140 -5.343 657 1HG LYS 81 1HG LYS 81 -8.814 17.351 -5.992 658 2HG LYS 81 2HG LYS 81 -9.704 17.480 -4.488 659 1HD LYS 81 1HD LYS 81 -11.474 18.572 -5.468 660 2HD LYS 81 2HD LYS 81 -10.440 19.546 -6.494 661 1HE LYS 81 1HE LYS 81 -10.360 17.935 -8.195 662 2HE LYS 81 2HE LYS 81 -10.608 16.596 -7.093 663 1HZ LYS 81 1HZ LYS 81 -12.587 16.901 -8.272 664 2HZ LYS 81 2HZ LYS 81 -12.892 17.492 -6.781 665 3HZ LYS 81 3HZ LYS 81 -12.619 18.515 -8.025 666 H LYS 82 H LYS 82 -5.353 18.668 -3.519 667 HA LYS 82 HA LYS 82 -4.250 21.365 -3.860 668 1HB LYS 82 1HB LYS 82 -5.182 20.021 -1.324 669 2HB LYS 82 2HB LYS 82 -3.960 21.276 -1.292 670 1HG LYS 82 1HG LYS 82 -5.761 22.536 -2.873 671 2HG LYS 82 2HG LYS 82 -6.871 21.473 -2.032 672 1HD LYS 82 1HD LYS 82 -6.072 22.312 0.158 673 2HD LYS 82 2HD LYS 82 -4.867 23.307 -0.635 674 1HE LYS 82 1HE LYS 82 -6.434 24.862 -1.395 675 2HE LYS 82 2HE LYS 82 -7.718 23.677 -1.518 676 1HZ LYS 82 1HZ LYS 82 -6.760 25.074 0.848 677 2HZ LYS 82 2HZ LYS 82 -8.294 24.854 0.330 678 3HZ LYS 82 3HZ LYS 82 -7.481 23.619 1.025 679 HA PRO 83 HA PRO 83 -1.014 18.224 -4.083 680 1HB PRO 83 1HB PRO 83 0.119 19.042 -6.431 681 2HB PRO 83 2HB PRO 83 -1.094 17.781 -6.341 682 1HG PRO 83 1HG PRO 83 -1.390 20.573 -7.263 683 2HG PRO 83 2HG PRO 83 -2.443 19.203 -7.555 684 1HD PRO 83 1HD PRO 83 -2.884 21.341 -5.695 685 2HD PRO 83 2HD PRO 83 -3.878 19.913 -5.904 686 H GLU 84 H GLU 84 -1.136 21.627 -4.163 687 HA GLU 84 HA GLU 84 1.601 22.085 -3.996 688 1HB GLU 84 1HB GLU 84 1.009 24.333 -3.406 689 2HB GLU 84 2HB GLU 84 -0.233 23.776 -4.510 690 1HG GLU 84 1HG GLU 84 -1.259 22.984 -2.046 691 2HG GLU 84 2HG GLU 84 -0.442 24.478 -1.633 692 H MET 85 H MET 85 -0.522 20.527 -1.827 693 HA MET 85 HA MET 85 1.053 21.338 0.473 694 1HB MET 85 1HB MET 85 -1.613 19.894 0.083 695 2HB MET 85 2HB MET 85 -0.812 19.880 1.642 696 1HG MET 85 1HG MET 85 -0.875 22.601 0.566 697 2HG MET 85 2HG MET 85 -2.491 21.924 0.595 698 1HE MET 85 1HE MET 85 -3.029 20.840 4.204 699 2HE MET 85 2HE MET 85 -3.224 20.397 2.490 700 3HE MET 85 3HE MET 85 -1.824 19.797 3.411 701 H PHE 86 H PHE 86 0.455 18.678 -1.760 702 HA PHE 86 HA PHE 86 1.392 16.601 -0.103 703 1HB PHE 86 1HB PHE 86 0.674 17.179 -2.946 704 2HB PHE 86 2HB PHE 86 1.917 15.953 -2.804 705 HD1 PHE 86 1HD PHE 86 1.196 13.773 -2.734 706 HD2 PHE 86 2HD PHE 86 -1.347 16.794 -1.180 707 HE1 PHE 86 1HE PHE 86 -0.562 12.046 -2.254 708 HE2 PHE 86 2HE PHE 86 -3.105 15.067 -0.700 709 HZ PHE 86 HZ PHE 86 -2.692 12.714 -1.243 710 H GLU 87 H GLU 87 2.957 18.923 -2.345 711 HA GLU 87 HA GLU 87 5.297 17.804 -2.858 712 1HB GLU 87 1HB GLU 87 4.289 20.496 -2.613 713 2HB GLU 87 2HB GLU 87 5.913 20.463 -1.955 714 1HG GLU 87 1HG GLU 87 6.190 18.918 -4.258 715 2HG GLU 87 2HG GLU 87 5.006 20.110 -4.759 716 H THR 88 H THR 88 4.610 19.652 0.202 717 HA THR 88 HA THR 88 6.998 19.310 1.467 718 HB THR 88 HB THR 88 4.137 19.264 2.562 719 HG1 THR 88 1HG THR 88 4.499 21.277 1.647 720 1HG2 THR 88 1HG2 THR 88 5.010 19.245 4.672 721 2HG2 THR 88 2HG2 THR 88 6.604 18.871 3.974 722 3HG2 THR 88 3HG2 THR 88 6.125 20.564 4.241 723 H ALA 89 H ALA 89 4.352 16.910 1.117 724 HA ALA 89 HA ALA 89 5.540 15.040 2.873 725 1HB ALA 89 1HB ALA 89 3.666 14.390 0.583 726 2HB ALA 89 2HB ALA 89 3.786 13.617 2.182 727 3HB ALA 89 3HB ALA 89 3.097 15.251 2.033 728 H ILE 90 H ILE 90 5.492 15.434 -0.733 729 HA ILE 90 HA ILE 90 7.040 13.188 -1.279 730 HB ILE 90 HB ILE 90 6.621 15.774 -2.774 731 1HG1 ILE 90 1HG1 ILE 90 5.461 13.336 -3.871 732 2HG1 ILE 90 2HG1 ILE 90 4.893 13.643 -2.242 733 1HG2 ILE 90 1HG2 ILE 90 7.449 14.551 -4.766 734 2HG2 ILE 90 2HG2 ILE 90 8.707 14.841 -3.541 735 3HG2 ILE 90 3HG2 ILE 90 7.975 13.227 -3.700 736 1HD1 ILE 90 1HD1 ILE 90 4.196 15.918 -2.850 737 2HD1 ILE 90 2HD1 ILE 90 4.897 15.726 -4.475 738 3HD1 ILE 90 3HD1 ILE 90 3.482 14.757 -3.995 739 H LYS 91 H LYS 91 7.897 16.530 -0.323 740 HA LYS 91 HA LYS 91 10.596 16.427 -0.940 741 1HB LYS 91 1HB LYS 91 8.782 18.151 0.463 742 2HB LYS 91 2HB LYS 91 10.225 17.955 1.437 743 1HG LYS 91 1HG LYS 91 11.662 18.655 -0.406 744 2HG LYS 91 2HG LYS 91 10.328 18.606 -1.542 745 1HD LYS 91 1HD LYS 91 9.189 20.384 -0.010 746 2HD LYS 91 2HD LYS 91 10.761 20.572 0.742 747 1HE LYS 91 1HE LYS 91 11.630 20.850 -1.748 748 2HE LYS 91 2HE LYS 91 9.950 21.183 -2.116 749 1HZ LYS 91 1HZ LYS 91 10.766 23.229 -1.589 750 2HZ LYS 91 2HZ LYS 91 10.159 22.785 -0.139 751 3HZ LYS 91 3HZ LYS 91 11.765 22.691 -0.415 752 H GLU 92 H GLU 92 9.001 15.779 2.265 753 HA GLU 92 HA GLU 92 11.434 14.512 3.117 754 1HB GLU 92 1HB GLU 92 8.793 15.065 4.535 755 2HB GLU 92 2HB GLU 92 10.151 14.266 5.302 756 1HG GLU 92 1HG GLU 92 11.207 16.615 4.053 757 2HG GLU 92 2HG GLU 92 9.728 17.109 4.852 758 H SER 93 H SER 93 10.365 13.142 0.936 759 HA SER 93 HA SER 93 8.936 10.915 2.125 760 1HB SER 93 1HB SER 93 8.078 12.041 0.012 761 2HB SER 93 2HB SER 93 9.506 11.459 -0.821 762 HG SER 93 HG SER 93 7.184 10.102 -0.149 763 H SER 94 H SER 94 10.064 9.081 2.664 764 HA SER 94 HA SER 94 11.679 7.642 2.845 765 1HB SER 94 1HB SER 94 11.260 7.983 0.018 766 2HB SER 94 2HB SER 94 12.978 7.741 0.270 767 HG SER 94 HG SER 94 12.571 5.670 0.565 768 H GLY 95 H GLY 95 14.198 7.285 2.637 769 1HA GLY 95 1HA GLY 95 15.993 9.255 1.983 770 2HA GLY 95 2HA GLY 95 15.465 9.658 3.604 771 HA PRO 96 HA PRO 96 18.646 6.290 3.710 772 1HB PRO 96 1HB PRO 96 20.895 7.702 4.358 773 2HB PRO 96 2HB PRO 96 20.511 7.210 2.720 774 1HG PRO 96 1HG PRO 96 20.304 9.892 3.947 775 2HG PRO 96 2HG PRO 96 20.339 9.461 2.249 776 1HD PRO 96 1HD PRO 96 18.035 10.219 3.779 777 2HD PRO 96 2HD PRO 96 18.054 9.677 2.113 778 H SER 97 H SER 97 20.169 5.654 5.613 779 HA SER 97 HA SER 97 19.394 7.008 8.004 780 1HB SER 97 1HB SER 97 18.358 5.086 9.097 781 2HB SER 97 2HB SER 97 17.477 5.454 7.627 782 HG SER 97 HG SER 97 17.771 3.358 7.234 783 H SER 98 H SER 98 21.350 7.185 9.029 784 HA SER 98 HA SER 98 22.850 4.818 9.502 785 1HB SER 98 1HB SER 98 23.554 5.795 7.163 786 2HB SER 98 2HB SER 98 24.360 7.039 8.096 787 HG SER 98 HG SER 98 25.970 5.645 8.269 788 H GLY 99 H GLY 99 22.455 5.349 11.719 789 1HA GLY 99 1HA GLY 99 24.303 6.721 13.131 790 2HA GLY 99 2HA GLY 99 23.142 7.969 12.723 Start of MODEL 20 1 1H GLY 1 H GLY 1 -11.037 -16.102 7.831 2 1HA GLY 1 1HA GLY 1 -10.202 -18.024 8.873 3 2HA GLY 1 2HA GLY 1 -8.958 -18.166 7.647 4 H SER 2 H SER 2 -6.925 -17.652 8.316 5 HA SER 2 HA SER 2 -6.560 -16.393 10.797 6 1HB SER 2 1HB SER 2 -4.154 -16.612 10.298 7 2HB SER 2 2HB SER 2 -5.002 -18.098 9.919 8 HG SER 2 HG SER 2 -3.387 -16.930 8.296 9 H SER 3 H SER 3 -5.251 -14.366 11.148 10 HA SER 3 HA SER 3 -5.966 -12.439 9.094 11 1HB SER 3 1HB SER 3 -6.411 -12.411 11.831 12 2HB SER 3 2HB SER 3 -4.966 -11.427 11.699 13 HG SER 3 HG SER 3 -7.556 -10.786 11.054 14 H GLY 4 H GLY 4 -4.333 -10.510 8.927 15 1HA GLY 4 1HA GLY 4 -2.090 -9.776 9.159 16 2HA GLY 4 2HA GLY 4 -1.562 -11.440 9.309 17 H SER 5 H SER 5 -2.103 -12.908 7.318 18 HA SER 5 HA SER 5 -1.452 -13.318 5.265 19 1HB SER 5 1HB SER 5 -3.926 -12.361 5.194 20 2HB SER 5 2HB SER 5 -3.192 -11.031 4.320 21 HG SER 5 HG SER 5 -3.467 -13.771 3.562 22 H SER 6 H SER 6 0.789 -12.596 5.496 23 HA SER 6 HA SER 6 1.456 -9.919 4.949 24 1HB SER 6 1HB SER 6 2.743 -12.054 6.109 25 2HB SER 6 2HB SER 6 3.535 -12.019 4.547 26 HG SER 6 HG SER 6 4.546 -10.667 6.253 27 H GLY 7 H GLY 7 -0.103 -10.211 2.872 28 1HA GLY 7 1HA GLY 7 1.715 -10.621 0.589 29 2HA GLY 7 2HA GLY 7 0.143 -11.393 0.612 30 H LEU 8 H LEU 8 -1.820 -9.934 0.924 31 HA LEU 8 HA LEU 8 -1.783 -7.905 -0.973 32 1HB LEU 8 1HB LEU 8 -3.769 -8.276 1.270 33 2HB LEU 8 2HB LEU 8 -4.029 -7.436 -0.246 34 HG LEU 8 HG LEU 8 -5.072 -9.411 -0.705 35 1HD1 LEU 8 1HD1 LEU 8 -2.351 -10.466 -1.418 36 2HD1 LEU 8 2HD1 LEU 8 -3.878 -10.540 -2.331 37 3HD1 LEU 8 3HD1 LEU 8 -2.987 -9.003 -2.209 38 1HD2 LEU 8 1HD2 LEU 8 -3.279 -11.457 0.300 39 2HD2 LEU 8 2HD2 LEU 8 -3.763 -10.325 1.586 40 3HD2 LEU 8 3HD2 LEU 8 -5.004 -11.180 0.639 41 H LYS 9 H LYS 9 -1.544 -7.811 2.628 42 HA LYS 9 HA LYS 9 -1.754 -5.201 3.153 43 1HB LYS 9 1HB LYS 9 -0.553 -7.471 4.377 44 2HB LYS 9 2HB LYS 9 0.594 -6.154 4.509 45 1HG LYS 9 1HG LYS 9 -1.414 -4.700 5.299 46 2HG LYS 9 2HG LYS 9 -2.296 -6.205 5.468 47 1HD LYS 9 1HD LYS 9 0.279 -6.570 6.710 48 2HD LYS 9 2HD LYS 9 -0.365 -5.042 7.278 49 1HE LYS 9 1HE LYS 9 -2.050 -6.047 8.472 50 2HE LYS 9 2HE LYS 9 -2.390 -7.211 7.207 51 1HZ LYS 9 1HZ LYS 9 -0.888 -8.652 8.038 52 2HZ LYS 9 2HZ LYS 9 0.106 -7.506 8.642 53 3HZ LYS 9 3HZ LYS 9 -1.265 -7.900 9.438 54 H GLN 10 H GLN 10 1.316 -6.777 2.008 55 HA GLN 10 HA GLN 10 2.642 -4.340 1.755 56 1HB GLN 10 1HB GLN 10 3.317 -7.039 1.601 57 2HB GLN 10 2HB GLN 10 3.559 -6.498 -0.048 58 1HG GLN 10 1HG GLN 10 4.662 -4.434 1.549 59 2HG GLN 10 2HG GLN 10 5.153 -5.917 2.343 60 1HE2 GLN 10 1HE2 GLN 10 6.311 -3.740 0.415 61 2HE2 GLN 10 2HE2 GLN 10 7.263 -4.651 -0.710 62 H LYS 11 H LYS 11 1.172 -6.542 -0.743 63 HA LYS 11 HA LYS 11 1.673 -5.071 -2.966 64 1HB LYS 11 1HB LYS 11 -0.727 -6.759 -2.224 65 2HB LYS 11 2HB LYS 11 -0.501 -6.085 -3.826 66 1HG LYS 11 1HG LYS 11 1.166 -7.566 -4.358 67 2HG LYS 11 2HG LYS 11 1.923 -7.434 -2.783 68 1HD LYS 11 1HD LYS 11 1.067 -9.469 -2.266 69 2HD LYS 11 2HD LYS 11 -0.529 -8.748 -2.270 70 1HE LYS 11 1HE LYS 11 -0.743 -9.202 -4.716 71 2HE LYS 11 2HE LYS 11 0.868 -9.892 -4.737 72 1HZ LYS 11 1HZ LYS 11 -0.253 -11.279 -2.787 73 2HZ LYS 11 2HZ LYS 11 -1.567 -11.009 -3.718 74 3HZ LYS 11 3HZ LYS 11 -0.260 -11.758 -4.348 75 H VAL 12 H VAL 12 -1.382 -4.828 -1.003 76 HA VAL 12 HA VAL 12 -2.360 -2.601 -2.307 77 HB VAL 12 HB VAL 12 -2.707 -3.531 0.549 78 1HG1 VAL 12 1HG1 VAL 12 -3.357 -1.132 0.156 79 2HG1 VAL 12 2HG1 VAL 12 -4.544 -1.711 -1.038 80 3HG1 VAL 12 3HG1 VAL 12 -4.693 -2.191 0.670 81 1HG2 VAL 12 1HG2 VAL 12 -3.623 -5.289 -0.545 82 2HG2 VAL 12 2HG2 VAL 12 -5.006 -4.186 -0.742 83 3HG2 VAL 12 3HG2 VAL 12 -3.827 -4.379 -2.061 84 H GLU 13 H GLU 13 -0.149 -2.874 0.533 85 HA GLU 13 HA GLU 13 -0.078 -0.284 1.283 86 1HB GLU 13 1HB GLU 13 1.773 -2.598 1.420 87 2HB GLU 13 2HB GLU 13 2.575 -1.046 1.555 88 1HG GLU 13 1HG GLU 13 0.269 -0.794 3.180 89 2HG GLU 13 2HG GLU 13 0.852 -2.417 3.495 90 H ASN 14 H ASN 14 2.326 -1.803 -0.999 91 HA ASN 14 HA ASN 14 3.513 0.529 -1.743 92 1HB ASN 14 1HB ASN 14 3.234 -2.219 -2.885 93 2HB ASN 14 2HB ASN 14 3.649 -0.992 -4.065 94 1HD2 ASN 14 1HD2 ASN 14 4.690 -2.910 -1.437 95 2HD2 ASN 14 2HD2 ASN 14 6.330 -2.362 -1.320 96 H LEU 15 H LEU 15 0.684 -1.240 -3.170 97 HA LEU 15 HA LEU 15 0.213 0.119 -5.433 98 1HB LEU 15 1HB LEU 15 -1.279 -1.542 -5.105 99 2HB LEU 15 2HB LEU 15 -1.474 -1.202 -3.397 100 HG LEU 15 HG LEU 15 -2.837 0.833 -4.058 101 1HD1 LEU 15 1HD1 LEU 15 -3.906 0.488 -6.411 102 2HD1 LEU 15 2HD1 LEU 15 -2.342 1.324 -6.259 103 3HD1 LEU 15 3HD1 LEU 15 -2.394 -0.381 -6.767 104 1HD2 LEU 15 1HD2 LEU 15 -4.554 -1.173 -5.142 105 2HD2 LEU 15 2HD2 LEU 15 -3.541 -1.916 -3.881 106 3HD2 LEU 15 3HD2 LEU 15 -4.528 -0.484 -3.501 107 H PHE 16 H PHE 16 -1.381 1.106 -2.317 108 HA PHE 16 HA PHE 16 -2.318 3.505 -3.129 109 1HB PHE 16 1HB PHE 16 -0.961 2.695 -0.487 110 2HB PHE 16 2HB PHE 16 -2.005 4.094 -0.645 111 HD1 PHE 16 1HD PHE 16 -3.814 2.362 -2.693 112 HD2 PHE 16 2HD PHE 16 -2.482 1.913 1.311 113 HE1 PHE 16 1HE PHE 16 -5.811 0.927 -2.189 114 HE2 PHE 16 2HE PHE 16 -4.479 0.479 1.815 115 HZ PHE 16 HZ PHE 16 -6.120 0.004 0.059 116 H ASN 17 H ASN 17 0.852 3.057 -1.390 117 HA ASN 17 HA ASN 17 1.761 5.534 -1.437 118 1HB ASN 17 1HB ASN 17 3.064 2.849 -1.744 119 2HB ASN 17 2HB ASN 17 4.074 4.219 -2.162 120 1HD2 ASN 17 1HD2 ASN 17 1.517 3.715 0.266 121 2HD2 ASN 17 2HD2 ASN 17 2.446 4.155 1.660 122 H GLU 18 H GLU 18 2.596 3.122 -4.053 123 HA GLU 18 HA GLU 18 3.765 4.770 -5.797 124 1HB GLU 18 1HB GLU 18 2.352 2.202 -5.935 125 2HB GLU 18 2HB GLU 18 2.212 3.087 -7.441 126 1HG GLU 18 1HG GLU 18 4.943 3.260 -6.384 127 2HG GLU 18 2HG GLU 18 4.445 1.588 -6.547 128 H LYS 19 H LYS 19 0.201 4.042 -5.707 129 HA LYS 19 HA LYS 19 -0.620 5.613 -7.758 130 1HB LYS 19 1HB LYS 19 -1.947 5.053 -5.094 131 2HB LYS 19 2HB LYS 19 -2.761 5.842 -6.430 132 1HG LYS 19 1HG LYS 19 -1.440 3.091 -6.589 133 2HG LYS 19 2HG LYS 19 -3.157 3.356 -6.361 134 1HD LYS 19 1HD LYS 19 -2.397 4.948 -8.614 135 2HD LYS 19 2HD LYS 19 -1.622 3.392 -8.831 136 1HE LYS 19 1HE LYS 19 -3.960 2.370 -8.217 137 2HE LYS 19 2HE LYS 19 -4.589 3.978 -8.515 138 1HZ LYS 19 1HZ LYS 19 -4.652 2.647 -10.490 139 2HZ LYS 19 2HZ LYS 19 -3.606 3.882 -10.712 140 3HZ LYS 19 3HZ LYS 19 -3.042 2.374 -10.432 141 H CYS 20 H CYS 20 -0.097 6.649 -4.320 142 HA CYS 20 HA CYS 20 -0.855 9.213 -4.465 143 1HB CYS 20 1HB CYS 20 0.136 7.963 -2.483 144 2HB CYS 20 2HB CYS 20 1.721 8.374 -3.107 145 HG CYS 20 HG CYS 20 1.485 10.921 -3.082 146 H GLY 21 H GLY 21 2.500 7.990 -5.212 147 1HA GLY 21 1HA GLY 21 3.529 10.380 -6.197 148 2HA GLY 21 2HA GLY 21 4.099 8.768 -6.584 149 H GLU 22 H GLU 22 1.632 7.765 -7.803 150 HA GLU 22 HA GLU 22 2.078 8.723 -10.388 151 1HB GLU 22 1HB GLU 22 0.519 6.625 -9.082 152 2HB GLU 22 2HB GLU 22 -0.410 7.365 -10.370 153 1HG GLU 22 1HG GLU 22 2.273 7.024 -11.351 154 2HG GLU 22 2HG GLU 22 1.811 5.519 -10.581 155 H ALA 23 H ALA 23 -0.242 9.532 -7.814 156 HA ALA 23 HA ALA 23 -2.186 10.791 -9.341 157 1HB ALA 23 1HB ALA 23 -1.345 11.813 -6.631 158 2HB ALA 23 2HB ALA 23 -2.980 11.575 -7.293 159 3HB ALA 23 3HB ALA 23 -2.011 10.170 -6.788 160 H LEU 24 H LEU 24 0.892 12.042 -7.907 161 HA LEU 24 HA LEU 24 0.470 14.682 -8.807 162 1HB LEU 24 1HB LEU 24 2.909 13.167 -7.886 163 2HB LEU 24 2HB LEU 24 2.954 14.859 -8.341 164 HG LEU 24 HG LEU 24 2.822 14.664 -5.944 165 1HD1 LEU 24 1HD1 LEU 24 1.200 16.259 -5.545 166 2HD1 LEU 24 2HD1 LEU 24 1.459 16.426 -7.298 167 3HD1 LEU 24 3HD1 LEU 24 0.045 15.533 -6.688 168 1HD2 LEU 24 1HD2 LEU 24 0.211 13.167 -6.297 169 2HD2 LEU 24 2HD2 LEU 24 1.771 12.417 -5.880 170 3HD2 LEU 24 3HD2 LEU 24 1.018 13.583 -4.766 171 H GLY 25 H GLY 25 1.425 11.717 -10.371 172 1HA GLY 25 1HA GLY 25 1.385 11.602 -12.730 173 2HA GLY 25 2HA GLY 25 1.972 13.250 -12.825 174 H LEU 26 H LEU 26 3.416 11.174 -10.377 175 HA LEU 26 HA LEU 26 5.869 11.155 -11.964 176 1HB LEU 26 1HB LEU 26 5.564 10.575 -9.022 177 2HB LEU 26 2HB LEU 26 7.038 10.917 -9.907 178 HG LEU 26 HG LEU 26 4.796 12.924 -9.564 179 1HD1 LEU 26 1HD1 LEU 26 7.140 13.568 -8.031 180 2HD1 LEU 26 2HD1 LEU 26 5.456 13.364 -7.494 181 3HD1 LEU 26 3HD1 LEU 26 6.543 11.956 -7.567 182 1HD2 LEU 26 1HD2 LEU 26 7.097 14.339 -9.944 183 2HD2 LEU 26 2HD2 LEU 26 7.382 12.915 -10.974 184 3HD2 LEU 26 3HD2 LEU 26 5.932 13.918 -11.222 185 H LYS 27 H LYS 27 7.307 9.114 -11.458 186 HA LYS 27 HA LYS 27 5.534 6.788 -11.734 187 1HB LYS 27 1HB LYS 27 7.900 7.704 -13.251 188 2HB LYS 27 2HB LYS 27 7.913 6.003 -12.831 189 1HG LYS 27 1HG LYS 27 5.296 6.303 -13.653 190 2HG LYS 27 2HG LYS 27 6.092 7.488 -14.670 191 1HD LYS 27 1HD LYS 27 7.458 5.869 -15.730 192 2HD LYS 27 2HD LYS 27 7.301 4.724 -14.412 193 1HE LYS 27 1HE LYS 27 5.500 3.753 -15.396 194 2HE LYS 27 2HE LYS 27 4.657 5.287 -15.470 195 1HZ LYS 27 1HZ LYS 27 6.529 5.479 -17.406 196 2HZ LYS 27 2HZ LYS 27 6.054 3.921 -17.519 197 3HZ LYS 27 3HZ LYS 27 4.953 5.121 -17.639 198 H GLN 28 H GLN 28 6.775 8.229 -9.293 199 HA GLN 28 HA GLN 28 8.254 5.905 -8.332 200 1HB GLN 28 1HB GLN 28 8.968 7.750 -6.523 201 2HB GLN 28 2HB GLN 28 9.821 7.572 -8.044 202 1HG GLN 28 1HG GLN 28 8.589 9.411 -9.052 203 2HG GLN 28 2HG GLN 28 7.460 9.473 -7.714 204 1HE2 GLN 28 1HE2 GLN 28 9.983 10.985 -9.058 205 2HE2 GLN 28 2HE2 GLN 28 10.716 11.755 -7.690 206 H ALA 29 H ALA 29 8.115 6.087 -5.641 207 HA ALA 29 HA ALA 29 5.228 5.965 -5.153 208 1HB ALA 29 1HB ALA 29 5.898 4.516 -3.237 209 2HB ALA 29 2HB ALA 29 6.450 3.876 -4.803 210 3HB ALA 29 3HB ALA 29 7.600 4.700 -3.723 211 H VAL 30 H VAL 30 4.528 6.649 -2.899 212 HA VAL 30 HA VAL 30 6.218 8.403 -1.447 213 HB VAL 30 HB VAL 30 5.935 10.054 -3.015 214 1HG1 VAL 30 1HG1 VAL 30 3.564 8.536 -3.759 215 2HG1 VAL 30 2HG1 VAL 30 3.250 10.288 -3.752 216 3HG1 VAL 30 3HG1 VAL 30 4.576 9.624 -4.738 217 1HG2 VAL 30 1HG2 VAL 30 3.457 10.444 -1.306 218 2HG2 VAL 30 2HG2 VAL 30 5.121 10.773 -0.766 219 3HG2 VAL 30 3HG2 VAL 30 4.421 11.705 -2.111 220 H LYS 31 H LYS 31 5.626 7.879 0.587 221 HA LYS 31 HA LYS 31 3.510 6.427 1.349 222 1HB LYS 31 1HB LYS 31 5.564 7.724 2.618 223 2HB LYS 31 2HB LYS 31 4.176 8.583 3.254 224 1HG LYS 31 1HG LYS 31 3.208 6.066 3.490 225 2HG LYS 31 2HG LYS 31 4.916 5.680 3.550 226 1HD LYS 31 1HD LYS 31 5.112 7.547 5.350 227 2HD LYS 31 2HD LYS 31 3.361 7.520 5.414 228 1HE LYS 31 1HE LYS 31 4.089 6.019 7.141 229 2HE LYS 31 2HE LYS 31 3.515 4.992 5.843 230 1HZ LYS 31 1HZ LYS 31 6.195 5.541 5.389 231 2HZ LYS 31 2HZ LYS 31 6.051 5.077 6.949 232 3HZ LYS 31 3HZ LYS 31 5.509 4.104 5.754 233 H VAL 32 H VAL 32 1.331 6.660 1.754 234 HA VAL 32 HA VAL 32 0.121 9.016 0.640 235 HB VAL 32 HB VAL 32 -0.800 6.358 1.673 236 1HG1 VAL 32 1HG1 VAL 32 -2.634 7.370 2.535 237 2HG1 VAL 32 2HG1 VAL 32 -2.385 8.862 1.597 238 3HG1 VAL 32 3HG1 VAL 32 -3.142 7.445 0.831 239 1HG2 VAL 32 1HG2 VAL 32 0.022 6.719 -0.689 240 2HG2 VAL 32 2HG2 VAL 32 -1.620 6.048 -0.550 241 3HG2 VAL 32 3HG2 VAL 32 -1.393 7.769 -0.944 242 HA PRO 33 HA PRO 33 0.022 10.901 4.595 243 1HB PRO 33 1HB PRO 33 -0.748 13.384 3.752 244 2HB PRO 33 2HB PRO 33 0.925 12.867 3.805 245 1HG PRO 33 1HG PRO 33 -0.845 13.178 1.458 246 2HG PRO 33 2HG PRO 33 0.904 13.081 1.509 247 1HD PRO 33 1HD PRO 33 -0.908 10.998 0.730 248 2HD PRO 33 2HD PRO 33 0.832 10.868 0.892 249 H PHE 34 H PHE 34 -1.709 9.307 5.047 250 HA PHE 34 HA PHE 34 -4.323 9.789 4.412 251 1HB PHE 34 1HB PHE 34 -2.937 8.700 6.931 252 2HB PHE 34 2HB PHE 34 -4.666 8.546 6.684 253 HD1 PHE 34 1HD PHE 34 -1.470 7.112 6.037 254 HD2 PHE 34 2HD PHE 34 -5.454 7.292 4.588 255 HE1 PHE 34 1HE PHE 34 -1.097 4.989 4.751 256 HE2 PHE 34 2HE PHE 34 -5.082 5.169 3.302 257 HZ PHE 34 HZ PHE 34 -2.908 4.043 3.399 258 H ALA 35 H ALA 35 -2.226 11.626 6.514 259 HA ALA 35 HA ALA 35 -4.309 12.689 8.153 260 1HB ALA 35 1HB ALA 35 -2.267 14.410 8.489 261 2HB ALA 35 2HB ALA 35 -2.296 12.803 9.255 262 3HB ALA 35 3HB ALA 35 -1.367 13.059 7.758 263 H LEU 36 H LEU 36 -3.043 13.271 4.944 264 HA LEU 36 HA LEU 36 -3.954 16.000 4.863 265 1HB LEU 36 1HB LEU 36 -2.528 14.120 3.054 266 2HB LEU 36 2HB LEU 36 -3.437 15.418 2.306 267 HG LEU 36 HG LEU 36 -1.185 15.712 4.312 268 1HD1 LEU 36 1HD1 LEU 36 -0.490 15.073 2.032 269 2HD1 LEU 36 2HD1 LEU 36 -1.331 16.505 1.390 270 3HD1 LEU 36 3HD1 LEU 36 0.059 16.704 2.484 271 1HD2 LEU 36 1HD2 LEU 36 -3.331 17.533 3.647 272 2HD2 LEU 36 2HD2 LEU 36 -2.037 17.687 4.860 273 3HD2 LEU 36 3HD2 LEU 36 -1.753 18.212 3.183 274 H PHE 37 H PHE 37 -5.099 12.739 3.986 275 HA PHE 37 HA PHE 37 -7.327 13.777 2.507 276 1HB PHE 37 1HB PHE 37 -6.446 11.049 3.615 277 2HB PHE 37 2HB PHE 37 -7.925 11.233 2.693 278 HD1 PHE 37 1HD PHE 37 -4.246 11.543 2.507 279 HD2 PHE 37 2HD PHE 37 -7.882 11.356 0.326 280 HE1 PHE 37 1HE PHE 37 -2.953 11.259 0.376 281 HE2 PHE 37 2HE PHE 37 -6.588 11.071 -1.806 282 HZ PHE 37 HZ PHE 37 -4.139 11.026 -1.756 283 H GLU 38 H GLU 38 -6.613 12.686 5.826 284 HA GLU 38 HA GLU 38 -9.289 12.335 6.568 285 1HB GLU 38 1HB GLU 38 -8.452 11.929 8.719 286 2HB GLU 38 2HB GLU 38 -7.075 11.525 7.714 287 1HG GLU 38 1HG GLU 38 -6.122 13.800 8.081 288 2HG GLU 38 2HG GLU 38 -7.512 14.235 9.055 289 H SER 39 H SER 39 -6.949 15.080 6.877 290 HA SER 39 HA SER 39 -8.837 16.706 8.198 291 1HB SER 39 1HB SER 39 -6.056 16.958 7.170 292 2HB SER 39 2HB SER 39 -6.961 18.459 7.182 293 HG SER 39 HG SER 39 -6.677 18.557 9.293 294 H PHE 40 H PHE 40 -7.635 16.339 4.815 295 HA PHE 40 HA PHE 40 -9.887 18.023 3.974 296 1HB PHE 40 1HB PHE 40 -7.218 17.681 2.512 297 2HB PHE 40 2HB PHE 40 -8.399 18.955 2.276 298 HD1 PHE 40 1HD PHE 40 -8.878 20.315 4.589 299 HD2 PHE 40 2HD PHE 40 -5.282 18.299 3.581 300 HE1 PHE 40 1HE PHE 40 -7.608 21.787 6.176 301 HE2 PHE 40 2HE PHE 40 -4.012 19.772 5.169 302 HZ PHE 40 HZ PHE 40 -5.190 21.498 6.447 303 HA PRO 41 HA PRO 41 -10.145 13.929 2.022 304 1HB PRO 41 1HB PRO 41 -12.694 13.305 2.784 305 2HB PRO 41 2HB PRO 41 -11.274 12.780 3.667 306 1HG PRO 41 1HG PRO 41 -13.203 14.911 4.358 307 2HG PRO 41 2HG PRO 41 -12.053 14.093 5.397 308 1HD PRO 41 1HD PRO 41 -11.803 16.733 4.304 309 2HD PRO 41 2HD PRO 41 -10.603 15.870 5.245 310 H GLU 42 H GLU 42 -12.175 16.713 2.053 311 HA GLU 42 HA GLU 42 -13.588 15.942 -0.264 312 1HB GLU 42 1HB GLU 42 -13.366 18.394 1.448 313 2HB GLU 42 2HB GLU 42 -13.954 18.629 -0.186 314 1HG GLU 42 1HG GLU 42 -15.442 16.444 0.512 315 2HG GLU 42 2HG GLU 42 -15.220 17.156 2.097 316 H ASP 43 H ASP 43 -10.398 17.096 0.330 317 HA ASP 43 HA ASP 43 -10.236 18.270 -2.314 318 1HB ASP 43 1HB ASP 43 -8.246 18.156 0.001 319 2HB ASP 43 2HB ASP 43 -7.899 18.911 -1.542 320 H PHE 44 H PHE 44 -8.696 15.812 -0.122 321 HA PHE 44 HA PHE 44 -7.564 14.536 -2.510 322 1HB PHE 44 1HB PHE 44 -6.825 14.298 0.468 323 2HB PHE 44 2HB PHE 44 -5.906 13.623 -0.863 324 HD1 PHE 44 1HD PHE 44 -6.296 16.411 1.286 325 HD2 PHE 44 2HD PHE 44 -4.957 15.313 -2.588 326 HE1 PHE 44 1HE PHE 44 -4.933 18.515 1.161 327 HE2 PHE 44 2HE PHE 44 -3.594 17.417 -2.713 328 HZ PHE 44 HZ PHE 44 -3.599 18.993 -0.838 329 H TYR 45 H TYR 45 -8.197 12.474 -3.026 330 HA TYR 45 HA TYR 45 -9.108 10.637 -1.080 331 1HB TYR 45 1HB TYR 45 -11.491 10.613 -1.909 332 2HB TYR 45 2HB TYR 45 -11.097 12.183 -1.237 333 HD1 TYR 45 1HD TYR 45 -11.397 14.134 -2.514 334 HD2 TYR 45 2HD TYR 45 -11.299 10.336 -4.481 335 HE1 TYR 45 1HE TYR 45 -12.101 15.237 -4.694 336 HE2 TYR 45 2HE TYR 45 -12.004 11.452 -6.654 337 HH TYR 45 HH TYR 45 -12.420 13.315 -7.665 338 H VAL 46 H VAL 46 -9.585 8.527 -2.023 339 HA VAL 46 HA VAL 46 -8.489 8.336 -4.735 340 HB VAL 46 HB VAL 46 -8.605 6.405 -2.416 341 1HG1 VAL 46 1HG1 VAL 46 -7.667 4.700 -3.768 342 2HG1 VAL 46 2HG1 VAL 46 -9.044 5.342 -4.693 343 3HG1 VAL 46 3HG1 VAL 46 -7.384 5.818 -5.124 344 1HG2 VAL 46 1HG2 VAL 46 -6.051 6.461 -2.925 345 2HG2 VAL 46 2HG2 VAL 46 -6.425 7.978 -3.778 346 3HG2 VAL 46 3HG2 VAL 46 -6.791 7.819 -2.044 347 H GLU 47 H GLU 47 -9.592 7.158 -6.348 348 HA GLU 47 HA GLU 47 -12.315 6.439 -5.584 349 1HB GLU 47 1HB GLU 47 -11.456 7.550 -8.289 350 2HB GLU 47 2HB GLU 47 -13.096 7.225 -7.763 351 1HG GLU 47 1HG GLU 47 -11.847 8.940 -5.797 352 2HG GLU 47 2HG GLU 47 -11.549 9.623 -7.383 353 H GLY 48 H GLY 48 -13.300 4.956 -7.496 354 1HA GLY 48 1HA GLY 48 -13.027 3.180 -8.935 355 2HA GLY 48 2HA GLY 48 -11.297 3.188 -8.653 356 H LEU 49 H LEU 49 -11.851 3.394 -5.605 357 HA LEU 49 HA LEU 49 -11.378 0.869 -4.860 358 1HB LEU 49 1HB LEU 49 -12.902 3.070 -3.494 359 2HB LEU 49 2HB LEU 49 -12.629 1.530 -2.704 360 HG LEU 49 HG LEU 49 -10.400 3.271 -3.784 361 1HD1 LEU 49 1HD1 LEU 49 -11.922 3.421 -1.248 362 2HD1 LEU 49 2HD1 LEU 49 -10.150 3.501 -1.107 363 3HD1 LEU 49 3HD1 LEU 49 -11.015 4.674 -2.128 364 1HD2 LEU 49 1HD2 LEU 49 -10.444 0.815 -2.020 365 2HD2 LEU 49 2HD2 LEU 49 -9.664 1.022 -3.606 366 3HD2 LEU 49 3HD2 LEU 49 -9.030 1.883 -2.184 367 HA PRO 50 HA PRO 50 -14.926 -1.492 -5.536 368 1HB PRO 50 1HB PRO 50 -14.668 -3.461 -3.659 369 2HB PRO 50 2HB PRO 50 -13.785 -3.458 -5.173 370 1HG PRO 50 1HG PRO 50 -12.807 -2.830 -2.455 371 2HG PRO 50 2HG PRO 50 -11.883 -3.245 -3.885 372 1HD PRO 50 1HD PRO 50 -12.217 -0.629 -2.756 373 2HD PRO 50 2HD PRO 50 -11.391 -1.029 -4.249 374 H GLU 51 H GLU 51 -16.980 -2.441 -4.633 375 HA GLU 51 HA GLU 51 -18.200 -0.397 -3.208 376 1HB GLU 51 1HB GLU 51 -19.055 -2.541 -4.702 377 2HB GLU 51 2HB GLU 51 -19.466 -3.092 -3.090 378 1HG GLU 51 1HG GLU 51 -20.712 -0.969 -2.671 379 2HG GLU 51 2HG GLU 51 -20.285 -0.396 -4.272 380 H GLY 52 H GLY 52 -19.017 -0.321 -1.019 381 1HA GLY 52 1HA GLY 52 -18.803 -0.552 1.207 382 2HA GLY 52 2HA GLY 52 -18.769 -2.278 0.908 383 H VAL 53 H VAL 53 -16.263 -0.390 -0.661 384 HA VAL 53 HA VAL 53 -14.396 -1.080 1.494 385 HB VAL 53 HB VAL 53 -13.959 -1.477 -1.473 386 1HG1 VAL 53 1HG1 VAL 53 -11.909 -2.765 -0.498 387 2HG1 VAL 53 2HG1 VAL 53 -11.843 -0.991 -0.636 388 3HG1 VAL 53 3HG1 VAL 53 -12.176 -1.749 0.939 389 1HG2 VAL 53 1HG2 VAL 53 -15.267 -3.150 0.425 390 2HG2 VAL 53 2HG2 VAL 53 -14.832 -3.516 -1.262 391 3HG2 VAL 53 3HG2 VAL 53 -13.691 -3.888 0.053 392 HA PRO 54 HA PRO 54 -13.914 3.249 0.557 393 1HB PRO 54 1HB PRO 54 -13.392 4.062 3.113 394 2HB PRO 54 2HB PRO 54 -15.006 4.019 2.432 395 1HG PRO 54 1HG PRO 54 -13.765 2.171 4.377 396 2HG PRO 54 2HG PRO 54 -15.463 2.402 4.013 397 1HD PRO 54 1HD PRO 54 -13.802 0.231 3.144 398 2HD PRO 54 2HD PRO 54 -15.468 0.525 2.686 399 H PHE 55 H PHE 55 -12.080 4.897 1.512 400 HA PHE 55 HA PHE 55 -9.662 3.403 0.851 401 1HB PHE 55 1HB PHE 55 -10.456 5.533 -0.377 402 2HB PHE 55 2HB PHE 55 -10.249 6.412 1.126 403 HD1 PHE 55 1HD PHE 55 -8.311 7.628 1.325 404 HD2 PHE 55 2HD PHE 55 -8.243 4.088 -1.013 405 HE1 PHE 55 1HE PHE 55 -5.908 8.059 0.742 406 HE2 PHE 55 2HE PHE 55 -5.840 4.519 -1.596 407 HZ PHE 55 HZ PHE 55 -4.702 6.500 -0.712 408 H ARG 56 H ARG 56 -8.984 2.450 2.787 409 HA ARG 56 HA ARG 56 -8.171 4.385 4.778 410 1HB ARG 56 1HB ARG 56 -9.917 1.944 5.215 411 2HB ARG 56 2HB ARG 56 -8.825 2.442 6.493 412 1HG ARG 56 1HG ARG 56 -10.376 4.687 5.320 413 2HG ARG 56 2HG ARG 56 -11.380 3.464 6.073 414 1HD ARG 56 1HD ARG 56 -8.934 4.435 7.566 415 2HD ARG 56 2HD ARG 56 -10.345 5.472 7.512 416 HE ARG 56 HE ARG 56 -11.004 2.718 8.236 417 1HH1 ARG 56 2HH2 ARG 56 -9.904 5.820 9.479 418 2HH1 ARG 56 1HH2 ARG 56 -10.454 5.514 11.092 419 1HH2 ARG 56 2HH1 ARG 56 -11.731 2.312 10.365 420 2HH2 ARG 56 1HH1 ARG 56 -11.500 3.505 11.600 421 H ARG 57 H ARG 57 -6.796 2.931 6.573 422 HA ARG 57 HA ARG 57 -4.524 2.214 5.323 423 1HB ARG 57 1HB ARG 57 -5.660 1.219 7.981 424 2HB ARG 57 2HB ARG 57 -4.003 0.932 7.489 425 1HG ARG 57 1HG ARG 57 -3.474 3.279 7.496 426 2HG ARG 57 2HG ARG 57 -5.163 3.745 7.533 427 1HD ARG 57 1HD ARG 57 -5.417 3.150 9.820 428 2HD ARG 57 2HD ARG 57 -4.030 2.079 9.801 429 HE ARG 57 HE ARG 57 -2.984 4.610 9.210 430 1HH1 ARG 57 2HH2 ARG 57 -4.812 3.186 11.858 431 2HH1 ARG 57 1HH2 ARG 57 -4.151 4.249 13.055 432 1HH2 ARG 57 2HH1 ARG 57 -2.112 6.013 10.788 433 2HH2 ARG 57 1HH1 ARG 57 -2.605 5.868 12.442 434 HA PRO 58 HA PRO 58 -5.283 -1.788 3.754 435 1HB PRO 58 1HB PRO 58 -2.727 -2.680 3.379 436 2HB PRO 58 2HB PRO 58 -3.543 -1.612 2.255 437 1HG PRO 58 1HG PRO 58 -1.423 -0.972 4.213 438 2HG PRO 58 2HG PRO 58 -1.943 -0.049 2.817 439 1HD PRO 58 1HD PRO 58 -2.572 0.491 5.563 440 2HD PRO 58 2HD PRO 58 -3.185 1.343 4.160 441 H SER 59 H SER 59 -2.801 -1.711 6.257 442 HA SER 59 HA SER 59 -3.039 -4.360 6.937 443 1HB SER 59 1HB SER 59 -1.210 -2.889 7.710 444 2HB SER 59 2HB SER 59 -2.332 -1.962 8.685 445 HG SER 59 HG SER 59 -1.831 -3.353 10.234 446 H THR 60 H THR 60 -5.268 -1.737 7.335 447 HA THR 60 HA THR 60 -6.562 -2.769 9.685 448 HB THR 60 HB THR 60 -6.758 -0.443 7.816 449 HG1 THR 60 1HG THR 60 -7.203 -1.115 10.639 450 1HG2 THR 60 1HG2 THR 60 -9.031 0.142 8.749 451 2HG2 THR 60 2HG2 THR 60 -9.095 -1.247 7.637 452 3HG2 THR 60 3HG2 THR 60 -9.156 -1.511 9.396 453 H PHE 61 H PHE 61 -7.225 -2.752 6.133 454 HA PHE 61 HA PHE 61 -9.679 -3.995 6.249 455 1HB PHE 61 1HB PHE 61 -7.314 -4.112 4.290 456 2HB PHE 61 2HB PHE 61 -8.874 -4.805 3.893 457 HD1 PHE 61 1HD PHE 61 -10.698 -2.743 5.015 458 HD2 PHE 61 2HD PHE 61 -7.101 -2.334 2.801 459 HE1 PHE 61 1HE PHE 61 -11.473 -0.511 4.168 460 HE2 PHE 61 2HE PHE 61 -7.876 -0.102 1.954 461 HZ PHE 61 HZ PHE 61 -10.053 0.783 2.648 462 H GLY 62 H GLY 62 -10.140 -6.297 5.372 463 1HA GLY 62 1HA GLY 62 -8.697 -8.160 7.075 464 2HA GLY 62 2HA GLY 62 -10.183 -8.444 6.189 465 H ILE 63 H ILE 63 -8.358 -10.447 6.051 466 HA ILE 63 HA ILE 63 -6.393 -10.212 4.095 467 HB ILE 63 HB ILE 63 -7.969 -12.617 5.018 468 1HG1 ILE 63 1HG1 ILE 63 -6.947 -12.068 6.957 469 2HG1 ILE 63 2HG1 ILE 63 -5.580 -12.870 6.211 470 1HG2 ILE 63 1HG2 ILE 63 -5.254 -12.624 3.691 471 2HG2 ILE 63 2HG2 ILE 63 -6.312 -14.006 4.064 472 3HG2 ILE 63 3HG2 ILE 63 -6.775 -12.848 2.793 473 1HD1 ILE 63 1HD1 ILE 63 -4.872 -10.596 5.275 474 2HD1 ILE 63 2HD1 ILE 63 -6.133 -9.875 6.303 475 3HD1 ILE 63 3HD1 ILE 63 -4.775 -10.753 7.046 476 HA PRO 64 HA PRO 64 -9.860 -11.508 1.134 477 1HB PRO 64 1HB PRO 64 -12.458 -11.136 1.896 478 2HB PRO 64 2HB PRO 64 -11.633 -12.676 2.026 479 1HG PRO 64 1HG PRO 64 -12.314 -10.753 4.165 480 2HG PRO 64 2HG PRO 64 -11.887 -12.446 4.307 481 1HD PRO 64 1HD PRO 64 -10.199 -10.198 4.873 482 2HD PRO 64 2HD PRO 64 -9.738 -11.889 4.903 483 H ARG 65 H ARG 65 -11.177 -8.883 3.106 484 HA ARG 65 HA ARG 65 -12.078 -7.372 1.064 485 1HB ARG 65 1HB ARG 65 -11.756 -7.060 3.815 486 2HB ARG 65 2HB ARG 65 -10.711 -5.799 3.190 487 1HG ARG 65 1HG ARG 65 -12.780 -5.245 1.616 488 2HG ARG 65 2HG ARG 65 -13.697 -6.140 2.811 489 1HD ARG 65 1HD ARG 65 -11.787 -3.997 3.767 490 2HD ARG 65 2HD ARG 65 -13.317 -3.504 3.067 491 HE ARG 65 HE ARG 65 -12.927 -4.901 5.625 492 1HH1 ARG 65 2HH2 ARG 65 -15.218 -4.055 3.092 493 2HH1 ARG 65 1HH2 ARG 65 -16.609 -4.261 4.104 494 1HH2 ARG 65 2HH1 ARG 65 -14.761 -5.173 6.961 495 2HH2 ARG 65 1HH1 ARG 65 -16.347 -4.901 6.320 496 H LEU 66 H LEU 66 -8.737 -7.895 2.170 497 HA LEU 66 HA LEU 66 -7.565 -5.670 0.938 498 1HB LEU 66 1HB LEU 66 -6.580 -8.339 1.892 499 2HB LEU 66 2HB LEU 66 -5.512 -7.262 1.014 500 HG LEU 66 HG LEU 66 -7.008 -6.248 3.418 501 1HD1 LEU 66 1HD1 LEU 66 -5.495 -8.512 3.642 502 2HD1 LEU 66 2HD1 LEU 66 -4.291 -7.240 3.958 503 3HD1 LEU 66 3HD1 LEU 66 -5.771 -7.329 4.942 504 1HD2 LEU 66 1HD2 LEU 66 -4.494 -5.491 1.939 505 2HD2 LEU 66 2HD2 LEU 66 -5.934 -4.507 2.294 506 3HD2 LEU 66 3HD2 LEU 66 -4.803 -4.934 3.601 507 H GLU 67 H GLU 67 -7.795 -9.127 -0.165 508 HA GLU 67 HA GLU 67 -6.657 -8.777 -2.595 509 1HB GLU 67 1HB GLU 67 -8.561 -10.704 -1.381 510 2HB GLU 67 2HB GLU 67 -8.623 -10.651 -3.132 511 1HG GLU 67 1HG GLU 67 -5.860 -10.652 -2.037 512 2HG GLU 67 2HG GLU 67 -6.774 -12.093 -1.638 513 H LYS 68 H LYS 68 -10.068 -8.169 -1.602 514 HA LYS 68 HA LYS 68 -11.233 -7.781 -4.030 515 1HB LYS 68 1HB LYS 68 -11.725 -6.104 -1.554 516 2HB LYS 68 2HB LYS 68 -12.844 -6.390 -2.871 517 1HG LYS 68 1HG LYS 68 -12.311 -8.974 -2.236 518 2HG LYS 68 2HG LYS 68 -11.976 -8.252 -0.675 519 1HD LYS 68 1HD LYS 68 -14.430 -7.113 -1.744 520 2HD LYS 68 2HD LYS 68 -14.532 -8.862 -1.809 521 1HE LYS 68 1HE LYS 68 -13.610 -8.769 0.666 522 2HE LYS 68 2HE LYS 68 -14.110 -7.090 0.620 523 1HZ LYS 68 1HZ LYS 68 -16.267 -8.223 -0.331 524 2HZ LYS 68 2HZ LYS 68 -15.732 -9.472 0.574 525 3HZ LYS 68 3HZ LYS 68 -16.025 -8.025 1.271 526 H ILE 69 H ILE 69 -9.508 -5.272 -2.046 527 HA ILE 69 HA ILE 69 -9.748 -3.191 -3.798 528 HB ILE 69 HB ILE 69 -7.734 -3.978 -1.738 529 1HG1 ILE 69 1HG1 ILE 69 -9.125 -1.365 -1.699 530 2HG1 ILE 69 2HG1 ILE 69 -10.172 -2.766 -1.596 531 1HG2 ILE 69 1HG2 ILE 69 -6.121 -2.851 -2.805 532 2HG2 ILE 69 2HG2 ILE 69 -7.263 -2.076 -3.929 533 3HG2 ILE 69 3HG2 ILE 69 -7.018 -1.398 -2.302 534 1HD1 ILE 69 1HD1 ILE 69 -9.590 -3.080 0.567 535 2HD1 ILE 69 2HD1 ILE 69 -7.875 -3.218 0.107 536 3HD1 ILE 69 3HD1 ILE 69 -8.572 -1.622 0.478 537 H LEU 70 H LEU 70 -7.001 -5.568 -3.630 538 HA LEU 70 HA LEU 70 -5.527 -4.697 -5.708 539 1HB LEU 70 1HB LEU 70 -6.116 -7.402 -4.593 540 2HB LEU 70 2HB LEU 70 -5.185 -7.292 -6.073 541 HG LEU 70 HG LEU 70 -4.481 -6.241 -3.335 542 1HD1 LEU 70 1HD1 LEU 70 -2.940 -8.017 -5.244 543 2HD1 LEU 70 2HD1 LEU 70 -2.519 -7.617 -3.561 544 3HD1 LEU 70 3HD1 LEU 70 -3.961 -8.602 -3.909 545 1HD2 LEU 70 1HD2 LEU 70 -3.740 -4.401 -4.454 546 2HD2 LEU 70 2HD2 LEU 70 -2.334 -5.465 -4.695 547 3HD2 LEU 70 3HD2 LEU 70 -3.537 -5.272 -5.992 548 H ARG 71 H ARG 71 -8.228 -7.115 -6.007 549 HA ARG 71 HA ARG 71 -8.259 -7.512 -8.596 550 1HB ARG 71 1HB ARG 71 -10.715 -6.842 -6.897 551 2HB ARG 71 2HB ARG 71 -10.786 -7.658 -8.447 552 1HG ARG 71 1HG ARG 71 -9.077 -9.354 -7.359 553 2HG ARG 71 2HG ARG 71 -9.610 -8.667 -5.837 554 1HD ARG 71 1HD ARG 71 -12.040 -9.113 -7.075 555 2HD ARG 71 2HD ARG 71 -11.089 -10.424 -7.744 556 HE ARG 71 HE ARG 71 -10.567 -10.354 -4.950 557 1HH1 ARG 71 2HH2 ARG 71 -13.262 -11.001 -7.118 558 2HH1 ARG 71 1HH2 ARG 71 -14.051 -12.085 -6.022 559 1HH2 ARG 71 2HH1 ARG 71 -11.607 -11.785 -3.503 560 2HH2 ARG 71 1HH1 ARG 71 -13.102 -12.534 -3.951 561 H ASN 72 H ASN 72 -9.055 -4.459 -6.965 562 HA ASN 72 HA ASN 72 -9.604 -3.319 -9.594 563 1HB ASN 72 1HB ASN 72 -10.804 -2.770 -6.860 564 2HB ASN 72 2HB ASN 72 -10.733 -1.460 -8.022 565 1HD2 ASN 72 1HD2 ASN 72 -13.138 -2.165 -7.229 566 2HD2 ASN 72 2HD2 ASN 72 -14.017 -3.053 -8.429 567 H LYS 73 H LYS 73 -6.972 -3.502 -9.055 568 HA LYS 73 HA LYS 73 -6.091 -1.273 -7.441 569 1HB LYS 73 1HB LYS 73 -3.873 -2.139 -7.815 570 2HB LYS 73 2HB LYS 73 -4.936 -3.454 -7.355 571 1HG LYS 73 1HG LYS 73 -5.260 -3.875 -9.898 572 2HG LYS 73 2HG LYS 73 -3.909 -2.787 -10.144 573 1HD LYS 73 1HD LYS 73 -2.421 -4.414 -9.614 574 2HD LYS 73 2HD LYS 73 -3.206 -4.696 -8.073 575 1HE LYS 73 1HE LYS 73 -4.955 -5.822 -10.014 576 2HE LYS 73 2HE LYS 73 -3.344 -6.284 -10.526 577 1HZ LYS 73 1HZ LYS 73 -3.423 -6.615 -7.801 578 2HZ LYS 73 2HZ LYS 73 -4.820 -7.250 -8.361 579 3HZ LYS 73 3HZ LYS 73 -3.390 -7.786 -8.939 580 H ALA 74 H ALA 74 -6.099 -2.311 -10.905 581 HA ALA 74 HA ALA 74 -4.801 -0.006 -11.845 582 1HB ALA 74 1HB ALA 74 -5.685 -2.448 -12.861 583 2HB ALA 74 2HB ALA 74 -6.696 -1.251 -13.706 584 3HB ALA 74 3HB ALA 74 -4.921 -1.138 -13.793 585 H LYS 75 H LYS 75 -8.284 -0.907 -11.458 586 HA LYS 75 HA LYS 75 -9.342 1.367 -12.639 587 1HB LYS 75 1HB LYS 75 -10.477 -0.328 -10.394 588 2HB LYS 75 2HB LYS 75 -11.386 0.794 -11.386 589 1HG LYS 75 1HG LYS 75 -9.762 -1.458 -12.633 590 2HG LYS 75 2HG LYS 75 -11.400 -1.723 -12.068 591 1HD LYS 75 1HD LYS 75 -12.079 0.310 -13.523 592 2HD LYS 75 2HD LYS 75 -10.481 0.214 -14.235 593 1HE LYS 75 1HE LYS 75 -11.810 -2.420 -14.145 594 2HE LYS 75 2HE LYS 75 -12.747 -1.242 -15.043 595 1HZ LYS 75 1HZ LYS 75 -10.955 -2.516 -16.259 596 2HZ LYS 75 2HZ LYS 75 -11.013 -0.903 -16.506 597 3HZ LYS 75 3HZ LYS 75 -9.878 -1.536 -15.518 598 H ILE 76 H ILE 76 -8.451 0.709 -9.189 599 HA ILE 76 HA ILE 76 -9.307 2.950 -7.992 600 HB ILE 76 HB ILE 76 -6.936 1.196 -7.652 601 1HG1 ILE 76 1HG1 ILE 76 -9.043 2.030 -5.651 602 2HG1 ILE 76 2HG1 ILE 76 -9.317 0.756 -6.823 603 1HG2 ILE 76 1HG2 ILE 76 -7.155 3.958 -6.527 604 2HG2 ILE 76 2HG2 ILE 76 -6.507 2.657 -5.500 605 3HG2 ILE 76 3HG2 ILE 76 -5.722 3.042 -7.050 606 1HD1 ILE 76 1HD1 ILE 76 -8.517 -0.272 -4.771 607 2HD1 ILE 76 2HD1 ILE 76 -7.217 -0.394 -5.980 608 3HD1 ILE 76 3HD1 ILE 76 -7.128 0.839 -4.699 609 H LYS 77 H LYS 77 -8.626 5.110 -7.693 610 HA LYS 77 HA LYS 77 -6.344 6.023 -9.209 611 1HB LYS 77 1HB LYS 77 -8.534 5.940 -10.684 612 2HB LYS 77 2HB LYS 77 -8.937 7.407 -9.814 613 1HG LYS 77 1HG LYS 77 -6.968 8.547 -10.594 614 2HG LYS 77 2HG LYS 77 -6.210 7.056 -11.116 615 1HD LYS 77 1HD LYS 77 -7.229 7.138 -13.149 616 2HD LYS 77 2HD LYS 77 -8.805 7.401 -12.429 617 1HE LYS 77 1HE LYS 77 -8.404 9.807 -12.246 618 2HE LYS 77 2HE LYS 77 -6.724 9.617 -12.707 619 1HZ LYS 77 1HZ LYS 77 -7.603 8.671 -14.829 620 2HZ LYS 77 2HZ LYS 77 -9.085 9.197 -14.389 621 3HZ LYS 77 3HZ LYS 77 -7.872 10.267 -14.610 622 H PHE 78 H PHE 78 -5.675 8.185 -8.567 623 HA PHE 78 HA PHE 78 -6.870 8.924 -5.990 624 1HB PHE 78 1HB PHE 78 -4.068 8.970 -7.216 625 2HB PHE 78 2HB PHE 78 -4.434 10.037 -5.875 626 HD1 PHE 78 1HD PHE 78 -5.335 6.475 -6.567 627 HD2 PHE 78 2HD PHE 78 -3.423 9.233 -3.969 628 HE1 PHE 78 1HE PHE 78 -4.845 4.616 -4.953 629 HE2 PHE 78 2HE PHE 78 -2.933 7.374 -2.356 630 HZ PHE 78 HZ PHE 78 -3.650 5.088 -2.867 631 H ILE 79 H ILE 79 -7.708 10.960 -5.756 632 HA ILE 79 HA ILE 79 -7.308 12.767 -8.030 633 HB ILE 79 HB ILE 79 -9.578 12.276 -6.141 634 1HG1 ILE 79 1HG1 ILE 79 -10.876 12.119 -8.163 635 2HG1 ILE 79 2HG1 ILE 79 -9.541 12.698 -9.140 636 1HG2 ILE 79 1HG2 ILE 79 -10.371 14.476 -7.612 637 2HG2 ILE 79 2HG2 ILE 79 -9.919 14.466 -5.890 638 3HG2 ILE 79 3HG2 ILE 79 -8.708 14.886 -7.126 639 1HD1 ILE 79 1HD1 ILE 79 -9.200 10.219 -7.425 640 2HD1 ILE 79 2HD1 ILE 79 -9.984 10.118 -9.020 641 3HD1 ILE 79 3HD1 ILE 79 -8.305 10.696 -8.888 642 H ILE 80 H ILE 80 -5.939 14.430 -7.723 643 HA ILE 80 HA ILE 80 -5.596 15.349 -4.952 644 HB ILE 80 HB ILE 80 -3.581 15.335 -7.202 645 1HG1 ILE 80 1HG1 ILE 80 -4.324 13.118 -5.969 646 2HG1 ILE 80 2HG1 ILE 80 -2.645 13.435 -6.358 647 1HG2 ILE 80 1HG2 ILE 80 -2.783 17.081 -6.011 648 2HG2 ILE 80 2HG2 ILE 80 -3.647 16.613 -4.527 649 3HG2 ILE 80 3HG2 ILE 80 -2.136 15.785 -4.976 650 1HD1 ILE 80 1HD1 ILE 80 -3.542 14.556 -3.747 651 2HD1 ILE 80 2HD1 ILE 80 -3.536 12.779 -3.850 652 3HD1 ILE 80 3HD1 ILE 80 -2.041 13.693 -4.160 653 H LYS 81 H LYS 81 -6.643 17.234 -4.633 654 HA LYS 81 HA LYS 81 -7.102 18.950 -6.929 655 1HB LYS 81 1HB LYS 81 -8.148 19.047 -4.084 656 2HB LYS 81 2HB LYS 81 -8.587 20.176 -5.349 657 1HG LYS 81 1HG LYS 81 -9.253 18.066 -6.743 658 2HG LYS 81 2HG LYS 81 -9.165 17.192 -5.226 659 1HD LYS 81 1HD LYS 81 -10.743 19.031 -4.270 660 2HD LYS 81 2HD LYS 81 -11.008 19.509 -5.935 661 1HE LYS 81 1HE LYS 81 -11.283 16.652 -5.843 662 2HE LYS 81 2HE LYS 81 -12.184 17.289 -4.482 663 1HZ LYS 81 1HZ LYS 81 -13.709 18.040 -5.860 664 2HZ LYS 81 2HZ LYS 81 -12.626 18.856 -6.770 665 3HZ LYS 81 3HZ LYS 81 -12.955 17.290 -7.099 666 H LYS 82 H LYS 82 -5.345 18.851 -3.801 667 HA LYS 82 HA LYS 82 -4.014 21.332 -4.642 668 1HB LYS 82 1HB LYS 82 -4.618 20.410 -1.816 669 2HB LYS 82 2HB LYS 82 -3.713 21.846 -2.250 670 1HG LYS 82 1HG LYS 82 -5.944 22.286 -3.749 671 2HG LYS 82 2HG LYS 82 -6.659 21.311 -2.480 672 1HD LYS 82 1HD LYS 82 -6.189 22.883 -0.802 673 2HD LYS 82 2HD LYS 82 -4.809 23.546 -1.655 674 1HE LYS 82 1HE LYS 82 -6.087 25.095 -2.742 675 2HE LYS 82 2HE LYS 82 -7.299 23.909 -3.186 676 1HZ LYS 82 1HZ LYS 82 -7.080 25.350 -0.643 677 2HZ LYS 82 2HZ LYS 82 -8.304 25.405 -1.723 678 3HZ LYS 82 3HZ LYS 82 -8.059 24.057 -0.834 679 HA PRO 83 HA PRO 83 -0.909 18.103 -4.603 680 1HB PRO 83 1HB PRO 83 0.363 18.847 -6.905 681 2HB PRO 83 2HB PRO 83 -0.923 17.657 -6.862 682 1HG PRO 83 1HG PRO 83 -1.021 20.459 -7.799 683 2HG PRO 83 2HG PRO 83 -2.139 19.151 -8.131 684 1HD PRO 83 1HD PRO 83 -2.530 21.317 -6.292 685 2HD PRO 83 2HD PRO 83 -3.595 19.948 -6.540 686 H GLU 84 H GLU 84 -0.623 21.532 -5.110 687 HA GLU 84 HA GLU 84 2.072 21.735 -4.631 688 1HB GLU 84 1HB GLU 84 1.569 24.103 -4.024 689 2HB GLU 84 2HB GLU 84 0.747 23.601 -5.488 690 1HG GLU 84 1HG GLU 84 -1.116 22.915 -3.550 691 2HG GLU 84 2HG GLU 84 -0.388 24.342 -2.840 692 H MET 85 H MET 85 -0.623 21.094 -2.444 693 HA MET 85 HA MET 85 0.883 21.815 -0.124 694 1HB MET 85 1HB MET 85 -1.837 20.549 -0.684 695 2HB MET 85 2HB MET 85 -1.211 20.580 0.952 696 1HG MET 85 1HG MET 85 -0.987 23.199 -0.421 697 2HG MET 85 2HG MET 85 -2.642 22.642 -0.275 698 1HE MET 85 1HE MET 85 -3.257 22.077 3.358 699 2HE MET 85 2HE MET 85 -3.320 21.305 1.755 700 3HE MET 85 3HE MET 85 -2.023 20.881 2.896 701 H PHE 86 H PHE 86 0.726 19.115 -2.240 702 HA PHE 86 HA PHE 86 1.391 17.210 -0.149 703 1HB PHE 86 1HB PHE 86 0.352 17.278 -2.932 704 2HB PHE 86 2HB PHE 86 1.618 16.079 -2.758 705 HD1 PHE 86 1HD PHE 86 -1.581 17.182 -1.204 706 HD2 PHE 86 2HD PHE 86 1.109 13.975 -1.903 707 HE1 PHE 86 1HE PHE 86 -3.238 15.576 -0.215 708 HE2 PHE 86 2HE PHE 86 -0.548 12.369 -0.915 709 HZ PHE 86 HZ PHE 86 -2.701 13.189 -0.083 710 H GLU 87 H GLU 87 2.906 19.318 -2.486 711 HA GLU 87 HA GLU 87 5.085 17.972 -3.276 712 1HB GLU 87 1HB GLU 87 4.259 20.580 -3.386 713 2HB GLU 87 2HB GLU 87 5.622 20.742 -2.297 714 1HG GLU 87 1HG GLU 87 6.465 18.993 -4.408 715 2HG GLU 87 2HG GLU 87 5.635 20.334 -5.172 716 H THR 88 H THR 88 4.616 19.657 -0.105 717 HA THR 88 HA THR 88 7.158 19.248 0.921 718 HB THR 88 HB THR 88 4.384 19.447 2.196 719 HG1 THR 88 1HG THR 88 6.722 21.172 1.764 720 1HG2 THR 88 1HG2 THR 88 5.340 19.604 4.309 721 2HG2 THR 88 2HG2 THR 88 6.539 18.501 3.594 722 3HG2 THR 88 3HG2 THR 88 6.872 20.247 3.672 723 H ALA 89 H ALA 89 4.516 16.963 0.413 724 HA ALA 89 HA ALA 89 5.660 15.016 2.192 725 1HB ALA 89 1HB ALA 89 3.161 15.422 1.501 726 2HB ALA 89 2HB ALA 89 3.587 14.452 0.071 727 3HB ALA 89 3HB ALA 89 3.752 13.755 1.701 728 H ILE 90 H ILE 90 5.311 15.485 -1.389 729 HA ILE 90 HA ILE 90 6.649 13.175 -2.130 730 HB ILE 90 HB ILE 90 6.312 15.847 -3.485 731 1HG1 ILE 90 1HG1 ILE 90 4.910 13.678 -4.719 732 2HG1 ILE 90 2HG1 ILE 90 4.563 13.641 -3.001 733 1HG2 ILE 90 1HG2 ILE 90 6.948 14.712 -5.578 734 2HG2 ILE 90 2HG2 ILE 90 8.292 14.799 -4.415 735 3HG2 ILE 90 3HG2 ILE 90 7.410 13.270 -4.643 736 1HD1 ILE 90 1HD1 ILE 90 4.141 16.192 -3.183 737 2HD1 ILE 90 2HD1 ILE 90 4.134 15.940 -4.945 738 3HD1 ILE 90 3HD1 ILE 90 2.930 15.117 -3.924 739 H LYS 91 H LYS 91 7.847 16.395 -1.122 740 HA LYS 91 HA LYS 91 10.546 15.771 -1.835 741 1HB LYS 91 1HB LYS 91 10.994 17.946 -1.342 742 2HB LYS 91 2HB LYS 91 9.267 18.084 -1.607 743 1HG LYS 91 1HG LYS 91 8.875 17.821 0.857 744 2HG LYS 91 2HG LYS 91 10.605 17.704 1.115 745 1HD LYS 91 1HD LYS 91 9.440 20.100 -0.342 746 2HD LYS 91 2HD LYS 91 9.414 20.038 1.409 747 1HE LYS 91 1HE LYS 91 11.900 19.685 1.425 748 2HE LYS 91 2HE LYS 91 11.918 19.775 -0.325 749 1HZ LYS 91 1HZ LYS 91 12.224 21.927 0.062 750 2HZ LYS 91 2HZ LYS 91 10.614 22.000 0.325 751 3HZ LYS 91 3HZ LYS 91 11.642 21.879 1.588 752 H GLU 92 H GLU 92 8.541 15.811 1.163 753 HA GLU 92 HA GLU 92 10.597 15.304 2.917 754 1HB GLU 92 1HB GLU 92 7.620 14.896 2.923 755 2HB GLU 92 2HB GLU 92 8.540 14.093 4.180 756 1HG GLU 92 1HG GLU 92 9.023 17.031 3.594 757 2HG GLU 92 2HG GLU 92 7.659 16.550 4.584 758 H SER 93 H SER 93 8.366 12.990 1.223 759 HA SER 93 HA SER 93 9.227 10.685 2.287 760 1HB SER 93 1HB SER 93 7.514 11.299 0.316 761 2HB SER 93 2HB SER 93 8.844 10.781 -0.701 762 HG SER 93 HG SER 93 7.098 9.261 0.815 763 H SER 94 H SER 94 11.392 10.276 2.730 764 HA SER 94 HA SER 94 13.093 10.073 0.396 765 1HB SER 94 1HB SER 94 13.584 12.282 1.441 766 2HB SER 94 2HB SER 94 13.903 11.493 2.973 767 HG SER 94 HG SER 94 15.649 10.297 1.888 768 H GLY 95 H GLY 95 13.668 7.931 0.374 769 1HA GLY 95 1HA GLY 95 14.642 6.745 2.875 770 2HA GLY 95 2HA GLY 95 13.320 5.957 2.036 771 HA PRO 96 HA PRO 96 17.297 5.673 -0.577 772 1HB PRO 96 1HB PRO 96 19.669 5.885 0.764 773 2HB PRO 96 2HB PRO 96 18.950 7.212 -0.127 774 1HG PRO 96 1HG PRO 96 19.069 6.792 2.797 775 2HG PRO 96 2HG PRO 96 18.751 8.271 1.912 776 1HD PRO 96 1HD PRO 96 16.823 6.626 3.254 777 2HD PRO 96 2HD PRO 96 16.492 8.039 2.273 778 H SER 97 H SER 97 17.901 4.588 2.730 779 HA SER 97 HA SER 97 17.655 1.900 1.721 780 1HB SER 97 1HB SER 97 20.067 2.309 1.554 781 2HB SER 97 2HB SER 97 20.120 2.922 3.195 782 HG SER 97 HG SER 97 19.317 0.726 3.859 783 H SER 98 H SER 98 18.624 3.833 4.657 784 HA SER 98 HA SER 98 17.181 2.006 6.313 785 1HB SER 98 1HB SER 98 19.006 4.352 6.722 786 2HB SER 98 2HB SER 98 17.877 4.001 8.015 787 HG SER 98 HG SER 98 18.703 1.741 7.940 788 H GLY 99 H GLY 99 17.077 5.597 5.686 789 1HA GLY 99 1HA GLY 99 14.725 6.272 4.991 790 2HA GLY 99 2HA GLY 99 14.246 5.570 6.524
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