NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558590 | 2lxy | 18703 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -8.285 -5.561 13.654 2 H2 GLY 1 2H GLY 1 -9.251 -6.777 12.983 3 H3 GLY 1 3H GLY 1 -9.847 -5.824 14.247 4 HA2 GLY 1 1HA GLY 1 -9.940 -3.895 12.893 5 HA3 GLY 1 2HA GLY 1 -9.078 -4.723 11.606 6 H SER 2 H SER 2 -11.187 -3.669 10.646 7 HA SER 2 HA SER 2 -13.006 -5.891 10.202 8 HB2 SER 2 2HB SER 2 -14.161 -3.191 10.895 9 HB3 SER 2 1HB SER 2 -15.006 -4.732 10.740 10 HG SER 2 HG SER 2 -13.679 -5.416 12.583 11 H ARG 3 H ARG 3 -12.285 -2.491 9.460 12 HA ARG 3 HA ARG 3 -12.459 -3.125 6.618 13 HB2 ARG 3 2HB ARG 3 -14.592 -1.909 7.898 14 HB3 ARG 3 1HB ARG 3 -13.714 -0.553 7.204 15 HG2 ARG 3 2HG ARG 3 -13.762 -2.324 5.126 16 HG3 ARG 3 1HG ARG 3 -15.316 -2.619 5.907 17 HD2 ARG 3 2HD ARG 3 -14.808 0.205 5.743 18 HD3 ARG 3 1HD ARG 3 -14.640 -0.535 4.152 19 HE ARG 3 HE ARG 3 -16.898 -0.931 4.126 20 HH11 ARG 3 1HH1 ARG 3 -15.926 -0.075 7.368 21 HH12 ARG 3 2HH1 ARG 3 -17.550 0.063 7.952 22 HH21 ARG 3 1HH2 ARG 3 -19.035 -0.750 4.894 23 HH22 ARG 3 2HH2 ARG 3 -19.315 -0.321 6.549 24 H VAL 4 H VAL 4 -12.290 -0.096 8.486 25 HA VAL 4 HA VAL 4 -10.037 0.781 6.903 26 HB VAL 4 HB VAL 4 -11.268 2.174 9.280 27 HG11 VAL 4 1HG1 VAL 4 -10.037 3.998 8.744 28 HG12 VAL 4 2HG1 VAL 4 -10.062 3.644 7.016 29 HG13 VAL 4 3HG1 VAL 4 -8.955 2.774 8.079 30 HG21 VAL 4 1HG2 VAL 4 -12.758 3.299 7.828 31 HG22 VAL 4 2HG2 VAL 4 -12.897 1.585 7.436 32 HG23 VAL 4 3HG2 VAL 4 -11.961 2.655 6.392 33 H LYS 5 H LYS 5 -10.648 -0.103 10.283 34 HA LYS 5 HA LYS 5 -8.151 0.521 11.339 35 HB2 LYS 5 2HB LYS 5 -10.331 -0.250 12.505 36 HB3 LYS 5 1HB LYS 5 -9.722 -1.877 12.235 37 HG2 LYS 5 2HG LYS 5 -9.078 -1.286 14.414 38 HG3 LYS 5 1HG LYS 5 -7.623 -1.161 13.425 39 HD2 LYS 5 2HD LYS 5 -8.568 1.353 13.202 40 HD3 LYS 5 1HD LYS 5 -9.163 0.939 14.811 41 HE2 LYS 5 2HE LYS 5 -6.707 0.063 15.136 42 HE3 LYS 5 1HE LYS 5 -6.362 1.185 13.821 43 HZ1 LYS 5 1HZ LYS 5 -6.740 2.966 15.124 44 HZ2 LYS 5 2HZ LYS 5 -6.370 1.892 16.377 45 HZ3 LYS 5 3HZ LYS 5 -7.985 2.224 15.998 46 H ALA 6 H ALA 6 -9.197 -2.207 9.435 47 HA ALA 6 HA ALA 6 -6.808 -3.748 9.949 48 HB1 ALA 6 1HB ALA 6 -9.215 -4.144 8.205 49 HB2 ALA 6 2HB ALA 6 -8.686 -5.086 9.599 50 HB3 ALA 6 3HB ALA 6 -7.804 -5.194 8.076 51 H LEU 7 H LEU 7 -7.908 -1.433 7.620 52 HA LEU 7 HA LEU 7 -6.250 -2.069 5.452 53 HB2 LEU 7 2HB LEU 7 -8.188 -0.224 5.939 54 HB3 LEU 7 1HB LEU 7 -6.759 0.792 5.929 55 HG LEU 7 HG LEU 7 -7.491 -1.082 3.683 56 HD11 LEU 7 1HD1 LEU 7 -9.228 0.534 3.781 57 HD12 LEU 7 2HD1 LEU 7 -8.128 1.036 2.497 58 HD13 LEU 7 3HD1 LEU 7 -8.081 1.843 4.064 59 HD21 LEU 7 1HD2 LEU 7 -5.707 1.296 3.451 60 HD22 LEU 7 2HD2 LEU 7 -5.729 -0.192 2.505 61 HD23 LEU 7 3HD2 LEU 7 -5.070 -0.197 4.140 62 H GLU 8 H GLU 8 -5.717 0.162 8.168 63 HA GLU 8 HA GLU 8 -3.224 1.125 7.336 64 HB2 GLU 8 2HB GLU 8 -4.621 0.979 9.980 65 HB3 GLU 8 1HB GLU 8 -2.954 1.533 9.899 66 HG2 GLU 8 2HG GLU 8 -3.586 3.319 8.396 67 HG3 GLU 8 1HG GLU 8 -5.250 2.737 8.370 68 H GLU 9 H GLU 9 -4.085 -1.781 9.109 69 HA GLU 9 HA GLU 9 -1.387 -2.369 9.889 70 HB2 GLU 9 2HB GLU 9 -2.250 -4.398 10.801 71 HB3 GLU 9 1HB GLU 9 -3.425 -3.135 11.135 72 HG2 GLU 9 2HG GLU 9 -4.990 -4.028 9.761 73 HG3 GLU 9 1HG GLU 9 -3.803 -4.739 8.673 74 H LYS 10 H LYS 10 -3.242 -2.865 7.046 75 HA LYS 10 HA LYS 10 -1.870 -5.181 6.099 76 HB2 LYS 10 2HB LYS 10 -4.063 -3.542 5.262 77 HB3 LYS 10 1HB LYS 10 -2.959 -3.751 3.911 78 HG2 LYS 10 2HG LYS 10 -3.653 -5.828 3.576 79 HG3 LYS 10 1HG LYS 10 -3.370 -6.255 5.263 80 HD2 LYS 10 2HD LYS 10 -5.567 -6.341 5.592 81 HD3 LYS 10 1HD LYS 10 -5.685 -4.628 5.188 82 HE2 LYS 10 2HE LYS 10 -5.434 -6.422 2.878 83 HE3 LYS 10 1HE LYS 10 -6.908 -6.638 3.821 84 HZ1 LYS 10 1HZ LYS 10 -6.692 -4.853 1.888 85 HZ2 LYS 10 2HZ LYS 10 -6.159 -3.898 3.178 86 HZ3 LYS 10 3HZ LYS 10 -7.689 -4.617 3.235 87 H VAL 11 H VAL 11 -1.669 -1.726 5.244 88 HA VAL 11 HA VAL 11 0.509 -2.140 3.446 89 HB VAL 11 HB VAL 11 -0.381 0.474 4.660 90 HG11 VAL 11 1HG1 VAL 11 1.104 1.487 3.342 91 HG12 VAL 11 2HG1 VAL 11 0.623 0.528 1.942 92 HG13 VAL 11 3HG1 VAL 11 1.817 -0.104 3.074 93 HG21 VAL 11 1HG2 VAL 11 -2.009 -1.144 3.237 94 HG22 VAL 11 2HG2 VAL 11 -1.247 -0.228 1.936 95 HG23 VAL 11 3HG2 VAL 11 -2.110 0.616 3.222 96 H LYS 12 H LYS 12 0.252 -1.386 6.819 97 HA LYS 12 HA LYS 12 2.824 -0.332 7.242 98 HB2 LYS 12 2HB LYS 12 0.896 -0.311 8.878 99 HB3 LYS 12 1HB LYS 12 1.253 -2.000 9.211 100 HG2 LYS 12 2HG LYS 12 3.416 0.036 9.469 101 HG3 LYS 12 1HG LYS 12 2.206 -0.125 10.743 102 HD2 LYS 12 2HD LYS 12 3.162 -1.983 11.522 103 HD3 LYS 12 1HD LYS 12 3.211 -2.708 9.914 104 HE2 LYS 12 2HE LYS 12 5.455 -2.573 10.573 105 HE3 LYS 12 1HE LYS 12 5.227 -1.204 9.486 106 HZ1 LYS 12 1HZ LYS 12 5.051 -0.995 12.440 107 HZ2 LYS 12 2HZ LYS 12 5.102 0.273 11.322 108 HZ3 LYS 12 3HZ LYS 12 6.468 -0.693 11.565 109 H ALA 13 H ALA 13 1.608 -3.618 7.068 110 HA ALA 13 HA ALA 13 4.153 -4.791 7.815 111 HB1 ALA 13 1HB ALA 13 1.520 -5.919 6.906 112 HB2 ALA 13 2HB ALA 13 2.316 -6.096 8.469 113 HB3 ALA 13 3HB ALA 13 2.958 -6.930 7.053 114 H LEU 14 H LEU 14 2.494 -3.749 5.021 115 HA LEU 14 HA LEU 14 3.787 -5.249 3.020 116 HB2 LEU 14 2HB LEU 14 1.667 -3.702 3.031 117 HB3 LEU 14 1HB LEU 14 2.811 -2.454 2.592 118 HG LEU 14 HG LEU 14 3.077 -4.844 0.936 119 HD11 LEU 14 1HD1 LEU 14 0.826 -5.260 0.982 120 HD12 LEU 14 2HD1 LEU 14 0.901 -4.074 -0.321 121 HD13 LEU 14 3HD1 LEU 14 0.408 -3.576 1.298 122 HD21 LEU 14 1HD2 LEU 14 4.049 -3.158 -0.171 123 HD22 LEU 14 2HD2 LEU 14 3.137 -1.930 0.709 124 HD23 LEU 14 3HD2 LEU 14 2.412 -2.741 -0.680 125 H GLU 15 H GLU 15 4.727 -2.496 4.892 126 HA GLU 15 HA GLU 15 6.773 -1.566 3.117 127 HB2 GLU 15 2HB GLU 15 5.767 0.045 4.553 128 HB3 GLU 15 1HB GLU 15 6.052 -0.940 5.979 129 HG2 GLU 15 2HG GLU 15 8.449 -0.570 5.768 130 HG3 GLU 15 1HG GLU 15 8.180 0.390 4.314 131 H GLU 16 H GLU 16 6.701 -3.459 6.119 132 HA GLU 16 HA GLU 16 9.410 -3.708 6.591 133 HB2 GLU 16 2HB GLU 16 7.140 -5.632 7.063 134 HB3 GLU 16 1HB GLU 16 8.782 -5.976 7.589 135 HG2 GLU 16 2HG GLU 16 8.016 -3.349 8.438 136 HG3 GLU 16 1HG GLU 16 6.806 -4.527 8.944 137 H LYS 17 H LYS 17 7.481 -5.204 4.118 138 HA LYS 17 HA LYS 17 9.377 -7.251 3.464 139 HB2 LYS 17 2HB LYS 17 6.958 -7.462 2.982 140 HB3 LYS 17 1HB LYS 17 7.093 -6.155 1.814 141 HG2 LYS 17 2HG LYS 17 7.869 -7.512 0.229 142 HG3 LYS 17 1HG LYS 17 9.011 -8.284 1.331 143 HD2 LYS 17 2HD LYS 17 6.061 -8.898 1.297 144 HD3 LYS 17 1HD LYS 17 7.252 -9.800 0.358 145 HE2 LYS 17 2HE LYS 17 8.129 -9.563 3.080 146 HE3 LYS 17 1HE LYS 17 6.490 -10.210 3.033 147 HZ1 LYS 17 1HZ LYS 17 7.174 -12.112 2.079 148 HZ2 LYS 17 2HZ LYS 17 8.668 -11.707 2.761 149 HZ3 LYS 17 3HZ LYS 17 8.361 -11.362 1.134 150 H VAL 18 H VAL 18 8.389 -4.222 1.859 151 HA VAL 18 HA VAL 18 10.329 -4.350 -0.183 152 HB VAL 18 HB VAL 18 9.244 -1.760 0.864 153 HG11 VAL 18 1HG1 VAL 18 9.765 -2.657 -1.960 154 HG12 VAL 18 2HG1 VAL 18 10.951 -1.815 -0.963 155 HG13 VAL 18 3HG1 VAL 18 9.436 -1.021 -1.391 156 HG21 VAL 18 1HG2 VAL 18 7.352 -2.217 -0.835 157 HG22 VAL 18 2HG2 VAL 18 7.252 -2.958 0.762 158 HG23 VAL 18 3HG2 VAL 18 7.785 -3.914 -0.621 159 H LYS 19 H LYS 19 10.268 -2.452 2.831 160 HA LYS 19 HA LYS 19 12.696 -1.174 2.594 161 HB2 LYS 19 2HB LYS 19 11.140 -2.131 4.973 162 HB3 LYS 19 1HB LYS 19 12.700 -1.349 5.186 163 HG2 LYS 19 2HG LYS 19 11.306 0.307 3.439 164 HG3 LYS 19 1HG LYS 19 10.120 -0.191 4.644 165 HD2 LYS 19 2HD LYS 19 11.277 0.787 6.385 166 HD3 LYS 19 1HD LYS 19 12.822 0.711 5.536 167 HE2 LYS 19 2HE LYS 19 12.204 2.516 4.101 168 HE3 LYS 19 1HE LYS 19 10.544 2.493 4.696 169 HZ1 LYS 19 1HZ LYS 19 12.601 2.887 6.706 170 HZ2 LYS 19 2HZ LYS 19 11.096 3.640 6.534 171 HZ3 LYS 19 3HZ LYS 19 12.410 4.155 5.602 172 H ALA 20 H ALA 20 12.077 -4.517 3.283 173 HA ALA 20 HA ALA 20 14.810 -4.993 4.178 174 HB1 ALA 20 1HB ALA 20 12.545 -6.128 4.990 175 HB2 ALA 20 2HB ALA 20 14.091 -6.977 5.016 176 HB3 ALA 20 3HB ALA 20 12.955 -7.252 3.695 177 H LEU 21 H LEU 21 13.131 -4.855 1.260 178 HA LEU 21 HA LEU 21 14.546 -6.922 -0.128 179 HB2 LEU 21 2HB LEU 21 12.268 -5.352 -0.538 180 HB3 LEU 21 1HB LEU 21 13.378 -4.873 -1.799 181 HG LEU 21 HG LEU 21 12.327 -7.649 -1.265 182 HD11 LEU 21 1HD1 LEU 21 11.078 -7.430 -3.204 183 HD12 LEU 21 2HD1 LEU 21 12.047 -6.081 -3.797 184 HD13 LEU 21 3HD1 LEU 21 10.929 -5.841 -2.454 185 HD21 LEU 21 1HD2 LEU 21 14.779 -7.451 -2.023 186 HD22 LEU 21 2HD2 LEU 21 14.106 -6.911 -3.561 187 HD23 LEU 21 3HD2 LEU 21 13.703 -8.509 -2.935 188 H GLY 22 H GLY 22 15.092 -5.404 -2.547 189 HA2 GLY 22 2HA GLY 22 16.788 -3.215 -2.121 190 HA3 GLY 22 1HA GLY 22 17.763 -4.675 -2.056 191 H GLY 23 H GLY 23 17.774 -2.457 -3.998 192 HA2 GLY 23 2HA GLY 23 18.549 -2.771 -6.255 193 HA3 GLY 23 1HA GLY 23 17.423 -4.110 -6.411 194 H GLY 24 H GLY 24 17.612 -2.043 -8.290 195 HA2 GLY 24 2HA GLY 24 15.298 -0.320 -7.773 196 HA3 GLY 24 1HA GLY 24 16.444 -0.143 -9.094 197 H GLY 25 H GLY 25 14.290 0.138 -10.227 198 HA2 GLY 25 2HA GLY 25 13.230 -0.861 -12.086 199 HA3 GLY 25 1HA GLY 25 13.584 -2.442 -11.409 200 H ARG 26 H ARG 26 11.954 -3.508 -10.499 201 HA ARG 26 HA ARG 26 9.357 -2.367 -10.397 202 HB2 ARG 26 2HB ARG 26 8.585 -4.496 -9.780 203 HB3 ARG 26 1HB ARG 26 9.982 -4.818 -10.796 204 HG2 ARG 26 2HG ARG 26 10.062 -4.802 -7.787 205 HG3 ARG 26 1HG ARG 26 9.818 -6.249 -8.766 206 HD2 ARG 26 2HD ARG 26 11.991 -5.593 -9.944 207 HD3 ARG 26 1HD ARG 26 12.239 -4.485 -8.596 208 HE ARG 26 HE ARG 26 11.710 -6.923 -7.449 209 HH11 ARG 26 1HH1 ARG 26 14.095 -5.657 -9.660 210 HH12 ARG 26 2HH1 ARG 26 15.332 -6.756 -9.150 211 HH21 ARG 26 1HH2 ARG 26 13.337 -8.368 -6.778 212 HH22 ARG 26 2HH2 ARG 26 14.902 -8.295 -7.516 213 H ILE 27 H ILE 27 11.907 -2.744 -8.073 214 HA ILE 27 HA ILE 27 10.302 -2.410 -5.746 215 HB ILE 27 HB ILE 27 13.264 -1.920 -6.068 216 HG12 ILE 27 2HG1 ILE 27 12.000 -4.396 -4.921 217 HG13 ILE 27 1HG1 ILE 27 12.278 -4.246 -6.652 218 HG21 ILE 27 1HG2 ILE 27 12.602 -0.901 -4.057 219 HG22 ILE 27 2HG2 ILE 27 13.224 -2.482 -3.584 220 HG23 ILE 27 3HG2 ILE 27 11.484 -2.207 -3.666 221 HD11 ILE 27 1HD1 ILE 27 14.591 -3.626 -4.954 222 HD12 ILE 27 2HD1 ILE 27 14.489 -4.554 -6.451 223 HD13 ILE 27 3HD1 ILE 27 14.041 -5.302 -4.917 224 H GLU 28 H GLU 28 11.871 -0.236 -7.975 225 HA GLU 28 HA GLU 28 11.898 2.068 -6.347 226 HB2 GLU 28 2HB GLU 28 12.647 1.388 -8.985 227 HB3 GLU 28 1HB GLU 28 11.555 2.760 -9.113 228 HG2 GLU 28 2HG GLU 28 13.140 3.604 -7.110 229 HG3 GLU 28 1HG GLU 28 14.275 2.596 -8.007 230 H GLU 29 H GLU 29 9.618 1.164 -8.956 231 HA GLU 29 HA GLU 29 7.860 3.309 -8.565 232 HB2 GLU 29 2HB GLU 29 7.791 1.995 -10.594 233 HB3 GLU 29 1HB GLU 29 7.348 0.553 -9.693 234 HG2 GLU 29 2HG GLU 29 5.206 1.038 -9.946 235 HG3 GLU 29 1HG GLU 29 5.441 2.569 -9.104 236 H LEU 30 H LEU 30 8.008 0.148 -7.046 237 HA LEU 30 HA LEU 30 5.487 0.317 -5.752 238 HB2 LEU 30 2HB LEU 30 7.907 -1.377 -5.150 239 HB3 LEU 30 1HB LEU 30 6.345 -1.573 -4.378 240 HG LEU 30 HG LEU 30 6.780 -1.835 -7.350 241 HD11 LEU 30 1HD1 LEU 30 7.899 -3.700 -6.728 242 HD12 LEU 30 2HD1 LEU 30 6.263 -4.336 -6.559 243 HD13 LEU 30 3HD1 LEU 30 7.137 -3.762 -5.139 244 HD21 LEU 30 1HD2 LEU 30 4.592 -2.553 -7.495 245 HD22 LEU 30 2HD2 LEU 30 4.481 -1.273 -6.289 246 HD23 LEU 30 3HD2 LEU 30 4.501 -2.962 -5.782 247 H LYS 31 H LYS 31 8.582 1.646 -5.034 248 HA LYS 31 HA LYS 31 8.186 1.902 -2.206 249 HB2 LYS 31 2HB LYS 31 10.429 1.808 -3.203 250 HB3 LYS 31 1HB LYS 31 10.121 3.319 -4.047 251 HG2 LYS 31 2HG LYS 31 10.570 4.560 -2.244 252 HG3 LYS 31 1HG LYS 31 9.708 3.469 -1.158 253 HD2 LYS 31 2HD LYS 31 11.586 2.001 -1.024 254 HD3 LYS 31 1HD LYS 31 12.424 2.865 -2.314 255 HE2 LYS 31 2HE LYS 31 11.630 4.280 0.202 256 HE3 LYS 31 1HE LYS 31 13.095 3.300 0.152 257 HZ1 LYS 31 1HZ LYS 31 12.653 5.301 -1.950 258 HZ2 LYS 31 2HZ LYS 31 14.106 4.720 -1.308 259 HZ3 LYS 31 3HZ LYS 31 13.174 5.821 -0.426 260 H LYS 32 H LYS 32 8.315 4.359 -4.807 261 HA LYS 32 HA LYS 32 7.510 6.530 -3.294 262 HB2 LYS 32 2HB LYS 32 7.593 5.862 -6.155 263 HB3 LYS 32 1HB LYS 32 6.413 7.096 -5.736 264 HG2 LYS 32 2HG LYS 32 8.334 8.230 -4.475 265 HG3 LYS 32 1HG LYS 32 9.386 7.151 -5.394 266 HD2 LYS 32 2HD LYS 32 9.077 8.287 -7.312 267 HD3 LYS 32 1HD LYS 32 7.359 8.539 -6.999 268 HE2 LYS 32 2HE LYS 32 9.456 10.039 -5.468 269 HE3 LYS 32 1HE LYS 32 8.914 10.590 -7.053 270 HZ1 LYS 32 1HZ LYS 32 6.983 10.009 -4.894 271 HZ2 LYS 32 2HZ LYS 32 6.772 10.969 -6.271 272 HZ3 LYS 32 3HZ LYS 32 7.747 11.516 -5.002 273 H LYS 33 H LYS 33 5.504 4.192 -5.035 274 HA LYS 33 HA LYS 33 3.038 5.483 -4.430 275 HB2 LYS 33 2HB LYS 33 3.880 3.390 -6.087 276 HB3 LYS 33 1HB LYS 33 2.750 2.656 -4.958 277 HG2 LYS 33 2HG LYS 33 2.147 5.123 -6.569 278 HG3 LYS 33 1HG LYS 33 1.721 3.484 -7.065 279 HD2 LYS 33 2HD LYS 33 0.854 4.695 -4.448 280 HD3 LYS 33 1HD LYS 33 -0.109 4.792 -5.924 281 HE2 LYS 33 2HE LYS 33 0.833 2.218 -4.668 282 HE3 LYS 33 1HE LYS 33 -0.759 2.928 -4.406 283 HZ1 LYS 33 1HZ LYS 33 -1.084 1.393 -6.100 284 HZ2 LYS 33 2HZ LYS 33 0.359 1.786 -6.888 285 HZ3 LYS 33 3HZ LYS 33 -0.948 2.858 -6.935 286 H CYS 34 H CYS 34 5.043 3.221 -2.743 287 HA CYS 34 HA CYS 34 3.130 2.010 -1.078 288 HB2 CYS 34 2HB CYS 34 5.907 1.914 -1.427 289 HB3 CYS 34 1HB CYS 34 5.680 2.369 0.249 290 H GLU 35 H GLU 35 5.369 4.673 -0.271 291 HA GLU 35 HA GLU 35 4.180 5.190 2.232 292 HB2 GLU 35 2HB GLU 35 5.506 7.339 2.117 293 HB3 GLU 35 1HB GLU 35 6.429 5.849 1.972 294 HG2 GLU 35 2HG GLU 35 7.209 6.439 -0.011 295 HG3 GLU 35 1HG GLU 35 5.586 6.775 -0.608 296 H GLU 36 H GLU 36 3.913 6.937 -0.867 297 HA GLU 36 HA GLU 36 2.274 8.994 -0.013 298 HB2 GLU 36 2HB GLU 36 1.644 9.304 -2.314 299 HB3 GLU 36 1HB GLU 36 3.337 8.833 -2.258 300 HG2 GLU 36 2HG GLU 36 2.759 6.571 -2.887 301 HG3 GLU 36 1HG GLU 36 1.045 6.979 -2.865 302 H LEU 37 H LEU 37 1.523 5.673 -0.633 303 HA LEU 37 HA LEU 37 -1.285 5.910 -0.882 304 HB2 LEU 37 2HB LEU 37 -0.327 3.930 -1.694 305 HB3 LEU 37 1HB LEU 37 0.592 3.663 -0.229 306 HG LEU 37 HG LEU 37 -1.358 2.947 0.960 307 HD11 LEU 37 1HD1 LEU 37 -2.848 4.636 -0.310 308 HD12 LEU 37 2HD1 LEU 37 -3.551 3.109 0.221 309 HD13 LEU 37 3HD1 LEU 37 -3.074 3.322 -1.463 310 HD21 LEU 37 1HD2 LEU 37 -0.189 1.492 -0.905 311 HD22 LEU 37 2HD2 LEU 37 -1.787 1.585 -1.644 312 HD23 LEU 37 3HD2 LEU 37 -1.602 0.905 -0.028 313 H LYS 38 H LYS 38 0.852 5.319 1.877 314 HA LYS 38 HA LYS 38 -1.106 4.786 3.799 315 HB2 LYS 38 2HB LYS 38 1.664 5.030 3.761 316 HB3 LYS 38 1HB LYS 38 1.142 6.290 4.870 317 HG2 LYS 38 2HG LYS 38 -0.145 4.596 6.128 318 HG3 LYS 38 1HG LYS 38 0.504 3.354 5.054 319 HD2 LYS 38 2HD LYS 38 2.405 5.187 6.433 320 HD3 LYS 38 1HD LYS 38 1.646 3.896 7.368 321 HE2 LYS 38 2HE LYS 38 2.759 2.255 6.262 322 HE3 LYS 38 1HE LYS 38 2.785 3.148 4.742 323 HZ1 LYS 38 1HZ LYS 38 4.380 4.254 6.907 324 HZ2 LYS 38 2HZ LYS 38 4.727 4.138 5.255 325 HZ3 LYS 38 3HZ LYS 38 4.930 2.791 6.258 326 H LYS 39 H LYS 39 0.580 7.878 3.214 327 HA LYS 39 HA LYS 39 -0.818 9.469 4.969 328 HB2 LYS 39 2HB LYS 39 -0.247 11.363 3.431 329 HB3 LYS 39 1HB LYS 39 1.114 10.335 3.858 330 HG2 LYS 39 2HG LYS 39 0.693 9.120 1.674 331 HG3 LYS 39 1HG LYS 39 -0.380 10.457 1.260 332 HD2 LYS 39 2HD LYS 39 1.714 10.999 0.312 333 HD3 LYS 39 1HD LYS 39 1.573 11.995 1.761 334 HE2 LYS 39 2HE LYS 39 2.828 9.362 2.152 335 HE3 LYS 39 1HE LYS 39 3.737 10.490 1.146 336 HZ1 LYS 39 1HZ LYS 39 4.161 11.833 2.883 337 HZ2 LYS 39 2HZ LYS 39 3.891 10.436 3.797 338 HZ3 LYS 39 3HZ LYS 39 2.656 11.577 3.613 339 H LYS 40 H LYS 40 -1.856 8.213 1.894 340 HA LYS 40 HA LYS 40 -4.028 10.014 1.502 341 HB2 LYS 40 2HB LYS 40 -2.878 8.482 -0.222 342 HB3 LYS 40 1HB LYS 40 -3.910 7.209 0.415 343 HG2 LYS 40 2HG LYS 40 -5.872 8.311 -0.291 344 HG3 LYS 40 1HG LYS 40 -4.999 9.810 -0.617 345 HD2 LYS 40 2HD LYS 40 -4.236 7.315 -2.070 346 HD3 LYS 40 1HD LYS 40 -5.665 8.215 -2.581 347 HE2 LYS 40 2HE LYS 40 -3.256 9.838 -2.116 348 HE3 LYS 40 1HE LYS 40 -3.147 8.702 -3.460 349 HZ1 LYS 40 1HZ LYS 40 -5.147 10.858 -3.084 350 HZ2 LYS 40 2HZ LYS 40 -5.290 9.656 -4.265 351 HZ3 LYS 40 3HZ LYS 40 -3.985 10.731 -4.307 352 H ILE 41 H ILE 41 -3.576 7.138 3.383 353 HA ILE 41 HA ILE 41 -6.376 6.573 3.719 354 HB ILE 41 HB ILE 41 -4.179 5.603 5.535 355 HG12 ILE 41 2HG1 ILE 41 -4.969 4.531 2.818 356 HG13 ILE 41 1HG1 ILE 41 -3.398 5.174 3.282 357 HG21 ILE 41 1HG2 ILE 41 -5.830 4.448 6.460 358 HG22 ILE 41 2HG2 ILE 41 -6.105 3.626 4.925 359 HG23 ILE 41 3HG2 ILE 41 -6.977 5.114 5.297 360 HD11 ILE 41 1HD1 ILE 41 -3.550 2.680 3.128 361 HD12 ILE 41 2HD1 ILE 41 -4.606 2.729 4.539 362 HD13 ILE 41 3HD1 ILE 41 -2.944 3.307 4.661 363 H GLU 42 H GLU 42 -3.945 8.459 5.368 364 HA GLU 42 HA GLU 42 -5.329 8.804 7.817 365 HB2 GLU 42 2HB GLU 42 -3.017 10.084 6.461 366 HB3 GLU 42 1HB GLU 42 -3.815 11.019 7.717 367 HG2 GLU 42 2HG GLU 42 -2.082 9.894 8.801 368 HG3 GLU 42 1HG GLU 42 -3.537 8.983 9.203 369 H GLU 43 H GLU 43 -5.239 10.629 4.796 370 HA GLU 43 HA GLU 43 -6.824 12.798 5.685 371 HB2 GLU 43 2HB GLU 43 -6.750 13.560 3.500 372 HB3 GLU 43 1HB GLU 43 -5.308 12.559 3.572 373 HG2 GLU 43 2HG GLU 43 -6.990 10.719 2.691 374 HG3 GLU 43 1HG GLU 43 -7.845 12.140 2.098 375 H LEU 44 H LEU 44 -7.545 9.688 4.274 376 HA LEU 44 HA LEU 44 -10.204 10.021 3.561 377 HB2 LEU 44 2HB LEU 44 -8.500 7.725 4.351 378 HB3 LEU 44 1HB LEU 44 -10.233 7.466 4.380 379 HG LEU 44 HG LEU 44 -8.738 8.474 1.962 380 HD11 LEU 44 1HD1 LEU 44 -7.886 6.351 2.102 381 HD12 LEU 44 2HD1 LEU 44 -9.370 6.049 1.198 382 HD13 LEU 44 3HD1 LEU 44 -9.308 5.715 2.929 383 HD21 LEU 44 1HD2 LEU 44 -11.264 8.890 2.319 384 HD22 LEU 44 2HD2 LEU 44 -11.429 7.164 2.000 385 HD23 LEU 44 3HD2 LEU 44 -10.718 8.221 0.781 386 H GLY 45 H GLY 45 -12.075 8.874 4.719 387 HA2 GLY 45 2HA GLY 45 -12.015 9.656 7.570 388 HA3 GLY 45 1HA GLY 45 -13.426 9.849 6.540 389 H GLY 46 H GLY 46 -14.931 8.317 6.650 390 HA2 GLY 46 2HA GLY 46 -14.182 5.760 7.917 391 HA3 GLY 46 1HA GLY 46 -15.783 6.481 7.983 392 H GLY 47 H GLY 47 -16.199 7.122 5.325 393 HA2 GLY 47 2HA GLY 47 -15.784 4.660 3.803 394 HA3 GLY 47 1HA GLY 47 -17.444 5.112 4.159 395 H GLY 48 H GLY 48 -17.268 4.962 1.662 396 HA2 GLY 48 2HA GLY 48 -17.804 6.307 -0.170 397 HA3 GLY 48 1HA GLY 48 -17.202 7.704 0.709 398 H GLU 49 H GLU 49 -15.140 8.390 0.385 399 HA GLU 49 HA GLU 49 -13.811 7.611 -1.967 400 HB2 GLU 49 2HB GLU 49 -13.679 9.844 -0.730 401 HB3 GLU 49 1HB GLU 49 -12.509 9.067 0.327 402 HG2 GLU 49 2HG GLU 49 -10.914 8.912 -1.321 403 HG3 GLU 49 1HG GLU 49 -12.101 8.980 -2.623 404 H VAL 50 H VAL 50 -13.759 6.277 1.182 405 HA VAL 50 HA VAL 50 -11.183 5.274 1.414 406 HB VAL 50 HB VAL 50 -13.667 3.782 2.255 407 HG11 VAL 50 1HG1 VAL 50 -11.389 3.780 4.052 408 HG12 VAL 50 2HG1 VAL 50 -10.989 3.118 2.468 409 HG13 VAL 50 3HG1 VAL 50 -12.317 2.429 3.401 410 HG21 VAL 50 1HG2 VAL 50 -12.317 6.168 3.478 411 HG22 VAL 50 2HG2 VAL 50 -13.267 5.043 4.448 412 HG23 VAL 50 3HG2 VAL 50 -14.028 5.925 3.125 413 H LYS 51 H LYS 51 -13.697 4.344 -0.763 414 HA LYS 51 HA LYS 51 -12.775 1.701 -1.294 415 HB2 LYS 51 2HB LYS 51 -14.831 3.515 -2.341 416 HB3 LYS 51 1HB LYS 51 -14.145 2.442 -3.554 417 HG2 LYS 51 2HG LYS 51 -14.599 0.574 -1.838 418 HG3 LYS 51 1HG LYS 51 -15.666 1.753 -1.073 419 HD2 LYS 51 2HD LYS 51 -16.975 1.954 -3.076 420 HD3 LYS 51 1HD LYS 51 -15.834 0.951 -3.975 421 HE2 LYS 51 2HE LYS 51 -17.012 -0.232 -1.533 422 HE3 LYS 51 1HE LYS 51 -18.098 0.000 -2.903 423 HZ1 LYS 51 1HZ LYS 51 -15.532 -1.497 -2.953 424 HZ2 LYS 51 2HZ LYS 51 -16.554 -1.261 -4.281 425 HZ3 LYS 51 3HZ LYS 51 -17.080 -2.181 -2.962 426 H LYS 52 H LYS 52 -12.126 4.870 -2.682 427 HA LYS 52 HA LYS 52 -10.754 3.988 -4.985 428 HB2 LYS 52 2HB LYS 52 -11.532 6.251 -4.887 429 HB3 LYS 52 1HB LYS 52 -10.620 6.565 -3.417 430 HG2 LYS 52 2HG LYS 52 -9.583 7.597 -5.368 431 HG3 LYS 52 1HG LYS 52 -8.534 6.377 -4.641 432 HD2 LYS 52 2HD LYS 52 -8.706 4.972 -6.424 433 HD3 LYS 52 1HD LYS 52 -10.351 5.484 -6.806 434 HE2 LYS 52 2HE LYS 52 -8.761 6.175 -8.537 435 HE3 LYS 52 1HE LYS 52 -9.510 7.561 -7.745 436 HZ1 LYS 52 1HZ LYS 52 -7.480 7.660 -6.314 437 HZ2 LYS 52 2HZ LYS 52 -7.214 8.021 -7.944 438 HZ3 LYS 52 3HZ LYS 52 -6.769 6.509 -7.331 439 H VAL 53 H VAL 53 -9.444 5.251 -1.911 440 HA VAL 53 HA VAL 53 -6.757 4.723 -2.452 441 HB VAL 53 HB VAL 53 -8.049 4.642 0.278 442 HG11 VAL 53 1HG1 VAL 53 -5.261 4.774 -0.715 443 HG12 VAL 53 2HG1 VAL 53 -5.915 4.009 0.733 444 HG13 VAL 53 3HG1 VAL 53 -5.665 5.755 0.694 445 HG21 VAL 53 1HG2 VAL 53 -8.758 6.683 -0.652 446 HG22 VAL 53 2HG2 VAL 53 -7.206 6.958 -1.442 447 HG23 VAL 53 3HG2 VAL 53 -7.338 7.089 0.312 448 H GLU 54 H GLU 54 -9.322 2.601 -1.468 449 HA GLU 54 HA GLU 54 -7.775 0.500 -0.398 450 HB2 GLU 54 2HB GLU 54 -10.347 0.879 -0.352 451 HB3 GLU 54 1HB GLU 54 -10.337 0.039 -1.896 452 HG2 GLU 54 2HG GLU 54 -10.028 -1.955 -0.946 453 HG3 GLU 54 1HG GLU 54 -8.835 -1.335 0.194 454 H GLU 55 H GLU 55 -8.755 1.332 -3.667 455 HA GLU 55 HA GLU 55 -7.806 -1.069 -4.877 456 HB2 GLU 55 2HB GLU 55 -9.511 0.310 -5.955 457 HB3 GLU 55 1HB GLU 55 -8.380 1.650 -6.072 458 HG2 GLU 55 2HG GLU 55 -7.034 -0.380 -7.328 459 HG3 GLU 55 1HG GLU 55 -8.711 -0.680 -7.784 460 H GLU 56 H GLU 56 -6.379 1.966 -3.975 461 HA GLU 56 HA GLU 56 -4.064 1.818 -5.609 462 HB2 GLU 56 2HB GLU 56 -4.869 3.380 -3.189 463 HB3 GLU 56 1HB GLU 56 -3.181 3.381 -3.676 464 HG2 GLU 56 2HG GLU 56 -3.627 4.459 -5.681 465 HG3 GLU 56 1HG GLU 56 -5.335 4.021 -5.647 466 H VAL 57 H VAL 57 -4.945 0.454 -2.531 467 HA VAL 57 HA VAL 57 -2.248 -0.333 -1.850 468 HB VAL 57 HB VAL 57 -4.809 -1.271 -0.558 469 HG11 VAL 57 1HG1 VAL 57 -3.117 -1.309 1.433 470 HG12 VAL 57 2HG1 VAL 57 -1.912 -1.389 0.148 471 HG13 VAL 57 3HG1 VAL 57 -3.154 -2.636 0.272 472 HG21 VAL 57 1HG2 VAL 57 -3.952 1.361 -0.703 473 HG22 VAL 57 2HG2 VAL 57 -3.374 0.807 0.867 474 HG23 VAL 57 3HG2 VAL 57 -5.087 0.690 0.467 475 H LYS 58 H LYS 58 -4.977 -1.661 -3.500 476 HA LYS 58 HA LYS 58 -4.241 -4.406 -3.271 477 HB2 LYS 58 2HB LYS 58 -6.333 -2.833 -4.565 478 HB3 LYS 58 1HB LYS 58 -5.825 -4.215 -5.528 479 HG2 LYS 58 2HG LYS 58 -6.621 -4.427 -2.637 480 HG3 LYS 58 1HG LYS 58 -7.753 -4.617 -3.977 481 HD2 LYS 58 2HD LYS 58 -6.796 -6.594 -4.680 482 HD3 LYS 58 1HD LYS 58 -5.234 -6.219 -3.950 483 HE2 LYS 58 2HE LYS 58 -6.109 -7.899 -2.584 484 HE3 LYS 58 1HE LYS 58 -6.451 -6.410 -1.705 485 HZ1 LYS 58 1HZ LYS 58 -8.700 -6.479 -2.374 486 HZ2 LYS 58 2HZ LYS 58 -8.327 -8.041 -1.843 487 HZ3 LYS 58 3HZ LYS 58 -8.420 -7.710 -3.500 488 H LYS 59 H LYS 59 -3.406 -1.820 -5.452 489 HA LYS 59 HA LYS 59 -2.418 -3.504 -7.543 490 HB2 LYS 59 2HB LYS 59 -3.187 -1.236 -8.012 491 HB3 LYS 59 1HB LYS 59 -1.927 -0.574 -6.980 492 HG2 LYS 59 2HG LYS 59 -1.008 -2.327 -9.164 493 HG3 LYS 59 1HG LYS 59 -1.721 -0.788 -9.650 494 HD2 LYS 59 2HD LYS 59 0.119 0.319 -9.050 495 HD3 LYS 59 1HD LYS 59 0.080 -0.398 -7.438 496 HE2 LYS 59 2HE LYS 59 1.081 -2.479 -8.569 497 HE3 LYS 59 1HE LYS 59 1.445 -1.399 -9.914 498 HZ1 LYS 59 1HZ LYS 59 2.431 0.027 -7.931 499 HZ2 LYS 59 2HZ LYS 59 3.343 -1.148 -8.735 500 HZ3 LYS 59 3HZ LYS 59 2.622 -1.509 -7.249 501 H LEU 60 H LEU 60 -0.867 -1.682 -4.907 502 HA LEU 60 HA LEU 60 1.770 -2.427 -5.707 503 HB2 LEU 60 2HB LEU 60 0.962 -0.431 -4.239 504 HB3 LEU 60 1HB LEU 60 1.103 -1.581 -2.920 505 HG LEU 60 HG LEU 60 3.474 -1.571 -4.599 506 HD11 LEU 60 1HD1 LEU 60 2.312 0.990 -3.971 507 HD12 LEU 60 2HD1 LEU 60 3.729 0.599 -4.945 508 HD13 LEU 60 3HD1 LEU 60 3.885 0.792 -3.200 509 HD21 LEU 60 1HD2 LEU 60 2.983 -1.067 -1.669 510 HD22 LEU 60 2HD2 LEU 60 4.569 -1.270 -2.413 511 HD23 LEU 60 3HD2 LEU 60 3.415 -2.604 -2.421 512 H GLU 61 H GLU 61 -0.648 -3.912 -3.727 513 HA GLU 61 HA GLU 61 1.085 -5.585 -2.221 514 HB2 GLU 61 2HB GLU 61 -1.577 -4.964 -2.123 515 HB3 GLU 61 1HB GLU 61 -1.621 -6.599 -2.762 516 HG2 GLU 61 2HG GLU 61 0.100 -6.968 -0.751 517 HG3 GLU 61 1HG GLU 61 -0.828 -5.618 -0.099 518 H GLU 62 H GLU 62 -1.024 -6.250 -5.004 519 HA GLU 62 HA GLU 62 -0.161 -8.878 -5.455 520 HB2 GLU 62 2HB GLU 62 -2.147 -7.349 -6.441 521 HB3 GLU 62 1HB GLU 62 -1.021 -7.264 -7.789 522 HG2 GLU 62 2HG GLU 62 -1.021 -9.650 -8.013 523 HG3 GLU 62 1HG GLU 62 -1.987 -9.827 -6.548 524 H GLU 63 H GLU 63 1.204 -5.814 -6.331 525 HA GLU 63 HA GLU 63 2.818 -6.609 -8.485 526 HB2 GLU 63 2HB GLU 63 2.348 -4.257 -7.018 527 HB3 GLU 63 1HB GLU 63 4.078 -4.546 -6.907 528 HG2 GLU 63 2HG GLU 63 2.658 -4.651 -9.539 529 HG3 GLU 63 1HG GLU 63 3.185 -3.120 -8.840 530 H ILE 64 H ILE 64 3.726 -6.144 -5.068 531 HA ILE 64 HA ILE 64 6.338 -7.081 -5.273 532 HB ILE 64 HB ILE 64 4.555 -7.338 -2.852 533 HG12 ILE 64 2HG1 ILE 64 6.220 -5.010 -3.834 534 HG13 ILE 64 1HG1 ILE 64 4.472 -5.049 -3.641 535 HG21 ILE 64 1HG2 ILE 64 7.202 -8.152 -3.299 536 HG22 ILE 64 2HG2 ILE 64 6.346 -8.067 -1.760 537 HG23 ILE 64 3HG2 ILE 64 7.300 -6.692 -2.314 538 HD11 ILE 64 1HD1 ILE 64 4.666 -5.121 -1.268 539 HD12 ILE 64 2HD1 ILE 64 5.690 -3.813 -1.862 540 HD13 ILE 64 3HD1 ILE 64 6.413 -5.343 -1.365 541 H LYS 65 H LYS 65 3.342 -8.808 -5.178 542 HA LYS 65 HA LYS 65 4.102 -11.273 -4.172 543 HB2 LYS 65 2HB LYS 65 1.880 -10.199 -5.563 544 HB3 LYS 65 1HB LYS 65 2.340 -11.679 -6.394 545 HG2 LYS 65 2HG LYS 65 0.940 -12.573 -4.864 546 HG3 LYS 65 1HG LYS 65 2.416 -12.587 -3.895 547 HD2 LYS 65 2HD LYS 65 0.968 -10.058 -3.749 548 HD3 LYS 65 1HD LYS 65 0.022 -11.433 -3.175 549 HE2 LYS 65 2HE LYS 65 1.913 -12.062 -1.705 550 HE3 LYS 65 1HE LYS 65 2.764 -10.608 -2.227 551 HZ1 LYS 65 1HZ LYS 65 0.417 -10.866 -0.490 552 HZ2 LYS 65 2HZ LYS 65 0.563 -9.473 -1.438 553 HZ3 LYS 65 3HZ LYS 65 1.774 -9.869 -0.326 554 H LYS 66 H LYS 66 4.734 -9.875 -7.321 555 HA LYS 66 HA LYS 66 6.015 -12.384 -8.165 556 HB2 LYS 66 2HB LYS 66 4.936 -10.043 -9.720 557 HB3 LYS 66 1HB LYS 66 6.007 -11.230 -10.451 558 HG2 LYS 66 2HG LYS 66 3.495 -12.066 -9.053 559 HG3 LYS 66 1HG LYS 66 3.477 -11.526 -10.732 560 HD2 LYS 66 2HD LYS 66 4.139 -13.540 -11.398 561 HD3 LYS 66 1HD LYS 66 5.601 -13.395 -10.420 562 HE2 LYS 66 2HE LYS 66 4.686 -15.276 -9.495 563 HE3 LYS 66 1HE LYS 66 3.956 -14.042 -8.469 564 HZ1 LYS 66 1HZ LYS 66 2.505 -14.778 -10.890 565 HZ2 LYS 66 2HZ LYS 66 1.917 -14.380 -9.355 566 HZ3 LYS 66 3HZ LYS 66 2.542 -15.924 -9.646 567 H LEU 67 H LEU 67 6.576 -8.922 -8.817 568 HA LEU 67 HA LEU 67 8.468 -7.665 -8.851 569 HB2 LEU 67 2HB LEU 67 9.406 -9.788 -6.928 570 HB3 LEU 67 1HB LEU 67 10.317 -8.338 -7.297 571 HG LEU 67 HG LEU 67 7.560 -8.359 -6.072 572 HD11 LEU 67 1HD1 LEU 67 10.290 -8.388 -4.894 573 HD12 LEU 67 2HD1 LEU 67 8.805 -9.152 -4.327 574 HD13 LEU 67 3HD1 LEU 67 9.043 -7.418 -4.112 575 HD21 LEU 67 1HD2 LEU 67 8.109 -6.351 -7.393 576 HD22 LEU 67 2HD2 LEU 67 9.549 -6.118 -6.403 577 HD23 LEU 67 3HD2 LEU 67 7.949 -6.006 -5.671 578 H6 HTS 101 H6 HTS 68 7.978 3.610 3.442 579 H3 HTS 101 H3 HTS 68 7.893 -0.773 1.185 580 H4 HTS 101 H4 HTS 68 10.044 0.357 1.601 581 H5 HTS 101 H5 HTS 68 10.084 2.543 2.739 582 HO1 HTS 101 HO1 HTS 68 5.629 2.852 4.024 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -17.343 -4.904 12.928 2 H2 GLY 1 2H GLY 1 -18.940 -5.284 12.521 3 H3 GLY 1 3H GLY 1 -18.624 -4.199 13.779 4 HA2 GLY 1 1HA GLY 1 -18.646 -3.765 10.911 5 HA3 GLY 1 2HA GLY 1 -19.041 -2.656 12.215 6 H SER 2 H SER 2 -16.319 -4.252 10.601 7 HA SER 2 HA SER 2 -14.749 -1.809 11.021 8 HB2 SER 2 2HB SER 2 -13.918 -4.630 11.674 9 HB3 SER 2 1HB SER 2 -12.727 -3.376 11.332 10 HG SER 2 HG SER 2 -14.727 -3.250 13.343 11 H ARG 3 H ARG 3 -12.944 -1.583 9.518 12 HA ARG 3 HA ARG 3 -12.519 -3.289 7.330 13 HB2 ARG 3 2HB ARG 3 -14.829 -2.574 6.751 14 HB3 ARG 3 1HB ARG 3 -14.271 -0.908 6.692 15 HG2 ARG 3 2HG ARG 3 -12.678 -1.584 4.896 16 HG3 ARG 3 1HG ARG 3 -13.449 -3.171 4.888 17 HD2 ARG 3 2HD ARG 3 -15.563 -1.380 4.728 18 HD3 ARG 3 1HD ARG 3 -14.321 -0.677 3.694 19 HE ARG 3 HE ARG 3 -14.660 -2.373 2.201 20 HH11 ARG 3 1HH1 ARG 3 -16.052 -3.291 5.266 21 HH12 ARG 3 2HH1 ARG 3 -16.798 -4.722 4.641 22 HH21 ARG 3 1HH2 ARG 3 -15.642 -4.256 1.376 23 HH22 ARG 3 2HH2 ARG 3 -16.565 -5.270 2.432 24 H VAL 4 H VAL 4 -12.578 0.060 8.450 25 HA VAL 4 HA VAL 4 -10.364 0.843 6.783 26 HB VAL 4 HB VAL 4 -11.492 2.335 9.153 27 HG11 VAL 4 1HG1 VAL 4 -10.694 4.215 7.406 28 HG12 VAL 4 2HG1 VAL 4 -9.537 2.940 7.028 29 HG13 VAL 4 3HG1 VAL 4 -9.656 3.562 8.673 30 HG21 VAL 4 1HG2 VAL 4 -12.367 2.360 6.268 31 HG22 VAL 4 2HG2 VAL 4 -12.852 3.560 7.466 32 HG23 VAL 4 3HG2 VAL 4 -13.321 1.872 7.669 33 H LYS 5 H LYS 5 -10.802 -0.356 10.026 34 HA LYS 5 HA LYS 5 -8.287 0.449 11.065 35 HB2 LYS 5 2HB LYS 5 -10.537 -1.190 11.923 36 HB3 LYS 5 1HB LYS 5 -8.995 -1.862 12.439 37 HG2 LYS 5 2HG LYS 5 -9.555 -0.499 14.206 38 HG3 LYS 5 1HG LYS 5 -8.499 0.545 13.253 39 HD2 LYS 5 2HD LYS 5 -10.169 1.965 12.725 40 HD3 LYS 5 1HD LYS 5 -11.350 0.667 12.541 41 HE2 LYS 5 2HE LYS 5 -12.208 1.556 14.429 42 HE3 LYS 5 1HE LYS 5 -10.964 0.570 15.200 43 HZ1 LYS 5 1HZ LYS 5 -10.360 3.329 14.360 44 HZ2 LYS 5 2HZ LYS 5 -9.624 2.395 15.563 45 HZ3 LYS 5 3HZ LYS 5 -11.164 3.045 15.821 46 H ALA 6 H ALA 6 -9.354 -2.239 9.131 47 HA ALA 6 HA ALA 6 -6.929 -3.765 9.513 48 HB1 ALA 6 1HB ALA 6 -9.437 -4.500 8.874 49 HB2 ALA 6 2HB ALA 6 -8.011 -5.472 8.509 50 HB3 ALA 6 3HB ALA 6 -8.716 -4.438 7.266 51 H LEU 7 H LEU 7 -8.131 -1.380 7.309 52 HA LEU 7 HA LEU 7 -6.474 -1.942 5.094 53 HB2 LEU 7 2HB LEU 7 -8.525 -0.222 5.596 54 HB3 LEU 7 1HB LEU 7 -7.161 0.880 5.569 55 HG LEU 7 HG LEU 7 -8.059 -0.949 3.346 56 HD11 LEU 7 1HD1 LEU 7 -7.951 1.508 2.287 57 HD12 LEU 7 2HD1 LEU 7 -8.338 1.925 3.956 58 HD13 LEU 7 3HD1 LEU 7 -9.397 0.846 3.049 59 HD21 LEU 7 1HD2 LEU 7 -5.632 -0.916 3.418 60 HD22 LEU 7 2HD2 LEU 7 -5.640 0.846 3.489 61 HD23 LEU 7 3HD2 LEU 7 -6.217 0.019 2.042 62 H GLU 8 H GLU 8 -6.098 0.385 7.761 63 HA GLU 8 HA GLU 8 -3.650 1.458 6.930 64 HB2 GLU 8 2HB GLU 8 -4.687 1.192 9.755 65 HB3 GLU 8 1HB GLU 8 -3.436 2.302 9.209 66 HG2 GLU 8 2HG GLU 8 -4.960 3.614 8.017 67 HG3 GLU 8 1HG GLU 8 -6.201 2.363 8.057 68 H GLU 9 H GLU 9 -4.373 -1.405 8.840 69 HA GLU 9 HA GLU 9 -1.646 -1.833 9.620 70 HB2 GLU 9 2HB GLU 9 -2.401 -3.736 10.752 71 HB3 GLU 9 1HB GLU 9 -3.759 -2.625 10.841 72 HG2 GLU 9 2HG GLU 9 -5.055 -4.205 10.009 73 HG3 GLU 9 1HG GLU 9 -4.140 -4.127 8.504 74 H LYS 10 H LYS 10 -3.492 -2.540 6.825 75 HA LYS 10 HA LYS 10 -2.078 -4.849 5.957 76 HB2 LYS 10 2HB LYS 10 -4.213 -3.153 4.978 77 HB3 LYS 10 1HB LYS 10 -3.106 -3.587 3.684 78 HG2 LYS 10 2HG LYS 10 -3.442 -5.923 4.094 79 HG3 LYS 10 1HG LYS 10 -4.397 -5.575 5.537 80 HD2 LYS 10 2HD LYS 10 -5.651 -4.130 3.526 81 HD3 LYS 10 1HD LYS 10 -5.203 -5.651 2.750 82 HE2 LYS 10 2HE LYS 10 -6.505 -6.916 4.184 83 HE3 LYS 10 1HE LYS 10 -6.501 -5.679 5.441 84 HZ1 LYS 10 1HZ LYS 10 -7.760 -4.396 3.478 85 HZ2 LYS 10 2HZ LYS 10 -8.560 -5.301 4.661 86 HZ3 LYS 10 3HZ LYS 10 -8.248 -5.982 3.144 87 H VAL 11 H VAL 11 -1.798 -1.394 5.194 88 HA VAL 11 HA VAL 11 0.389 -1.824 3.384 89 HB VAL 11 HB VAL 11 -0.485 0.805 4.574 90 HG11 VAL 11 1HG1 VAL 11 0.513 0.720 1.829 91 HG12 VAL 11 2HG1 VAL 11 1.701 0.226 3.034 92 HG13 VAL 11 3HG1 VAL 11 0.929 1.806 3.153 93 HG21 VAL 11 1HG2 VAL 11 -1.553 0.711 2.052 94 HG22 VAL 11 2HG2 VAL 11 -2.441 0.438 3.551 95 HG23 VAL 11 3HG2 VAL 11 -1.811 -0.933 2.638 96 H LYS 12 H LYS 12 0.052 -1.069 6.740 97 HA LYS 12 HA LYS 12 2.620 -0.021 7.219 98 HB2 LYS 12 2HB LYS 12 0.457 -0.229 8.752 99 HB3 LYS 12 1HB LYS 12 1.280 -1.680 9.306 100 HG2 LYS 12 2HG LYS 12 2.950 0.732 9.199 101 HG3 LYS 12 1HG LYS 12 1.627 0.781 10.365 102 HD2 LYS 12 2HD LYS 12 2.994 -1.766 10.439 103 HD3 LYS 12 1HD LYS 12 4.120 -0.431 10.691 104 HE2 LYS 12 2HE LYS 12 1.943 0.259 12.244 105 HE3 LYS 12 1HE LYS 12 2.051 -1.490 12.443 106 HZ1 LYS 12 1HZ LYS 12 4.555 -0.029 12.635 107 HZ2 LYS 12 2HZ LYS 12 3.988 -1.331 13.552 108 HZ3 LYS 12 3HZ LYS 12 3.453 0.236 13.890 109 H ALA 13 H ALA 13 1.367 -3.290 7.053 110 HA ALA 13 HA ALA 13 3.875 -4.491 7.880 111 HB1 ALA 13 1HB ALA 13 1.583 -5.489 8.315 112 HB2 ALA 13 2HB ALA 13 2.791 -6.584 7.641 113 HB3 ALA 13 3HB ALA 13 1.541 -5.902 6.600 114 H LEU 14 H LEU 14 2.252 -3.533 5.017 115 HA LEU 14 HA LEU 14 3.588 -5.070 3.084 116 HB2 LEU 14 2HB LEU 14 1.478 -3.509 3.020 117 HB3 LEU 14 1HB LEU 14 2.639 -2.281 2.565 118 HG LEU 14 HG LEU 14 2.730 -4.813 1.025 119 HD11 LEU 14 1HD1 LEU 14 0.431 -2.878 0.896 120 HD12 LEU 14 2HD1 LEU 14 0.370 -4.622 1.150 121 HD13 LEU 14 3HD1 LEU 14 0.850 -3.976 -0.420 122 HD21 LEU 14 1HD2 LEU 14 4.094 -2.643 0.699 123 HD22 LEU 14 2HD2 LEU 14 2.618 -2.017 -0.035 124 HD23 LEU 14 3HD2 LEU 14 3.406 -3.439 -0.716 125 H GLU 15 H GLU 15 4.515 -2.276 4.900 126 HA GLU 15 HA GLU 15 6.587 -1.394 3.137 127 HB2 GLU 15 2HB GLU 15 5.572 0.246 4.532 128 HB3 GLU 15 1HB GLU 15 5.836 -0.716 5.978 129 HG2 GLU 15 2HG GLU 15 8.282 -0.012 4.535 130 HG3 GLU 15 1HG GLU 15 7.381 1.363 5.167 131 H GLU 16 H GLU 16 6.630 -2.921 6.361 132 HA GLU 16 HA GLU 16 9.319 -3.269 6.697 133 HB2 GLU 16 2HB GLU 16 8.789 -5.191 8.119 134 HB3 GLU 16 1HB GLU 16 7.670 -3.863 8.397 135 HG2 GLU 16 2HG GLU 16 5.895 -4.987 7.523 136 HG3 GLU 16 1HG GLU 16 6.894 -5.940 6.428 137 H LYS 17 H LYS 17 7.234 -4.982 4.499 138 HA LYS 17 HA LYS 17 9.051 -7.136 3.986 139 HB2 LYS 17 2HB LYS 17 6.635 -7.386 3.647 140 HB3 LYS 17 1HB LYS 17 6.677 -6.156 2.392 141 HG2 LYS 17 2HG LYS 17 6.849 -7.885 0.993 142 HG3 LYS 17 1HG LYS 17 8.544 -7.911 1.484 143 HD2 LYS 17 2HD LYS 17 8.307 -9.838 2.610 144 HD3 LYS 17 1HD LYS 17 6.761 -9.348 3.305 145 HE2 LYS 17 2HE LYS 17 7.078 -10.235 0.446 146 HE3 LYS 17 1HE LYS 17 6.693 -11.344 1.762 147 HZ1 LYS 17 1HZ LYS 17 5.067 -9.058 0.800 148 HZ2 LYS 17 2HZ LYS 17 4.738 -9.892 2.234 149 HZ3 LYS 17 3HZ LYS 17 4.667 -10.701 0.751 150 H VAL 18 H VAL 18 8.257 -4.084 2.375 151 HA VAL 18 HA VAL 18 10.014 -4.548 0.161 152 HB VAL 18 HB VAL 18 8.892 -1.916 1.073 153 HG11 VAL 18 1HG1 VAL 18 9.743 -2.830 -1.670 154 HG12 VAL 18 2HG1 VAL 18 10.721 -1.835 -0.591 155 HG13 VAL 18 3HG1 VAL 18 9.192 -1.217 -1.215 156 HG21 VAL 18 1HG2 VAL 18 7.184 -3.767 0.731 157 HG22 VAL 18 2HG2 VAL 18 7.646 -3.733 -0.971 158 HG23 VAL 18 3HG2 VAL 18 6.954 -2.297 -0.216 159 H LYS 19 H LYS 19 10.155 -2.454 3.039 160 HA LYS 19 HA LYS 19 12.530 -1.167 2.592 161 HB2 LYS 19 2HB LYS 19 11.621 -2.254 5.261 162 HB3 LYS 19 1HB LYS 19 12.742 -0.926 5.005 163 HG2 LYS 19 2HG LYS 19 10.355 -0.334 3.596 164 HG3 LYS 19 1HG LYS 19 9.921 -0.849 5.226 165 HD2 LYS 19 2HD LYS 19 10.235 1.499 5.324 166 HD3 LYS 19 1HD LYS 19 11.659 0.773 6.073 167 HE2 LYS 19 2HE LYS 19 13.009 1.235 4.216 168 HE3 LYS 19 1HE LYS 19 11.620 1.514 3.166 169 HZ1 LYS 19 1HZ LYS 19 12.507 3.261 5.398 170 HZ2 LYS 19 2HZ LYS 19 11.126 3.518 4.455 171 HZ3 LYS 19 3HZ LYS 19 12.659 3.593 3.745 172 H ALA 20 H ALA 20 12.041 -4.483 3.614 173 HA ALA 20 HA ALA 20 14.881 -4.892 4.092 174 HB1 ALA 20 1HB ALA 20 14.098 -7.275 4.541 175 HB2 ALA 20 2HB ALA 20 12.460 -6.641 4.394 176 HB3 ALA 20 3HB ALA 20 13.537 -6.021 5.646 177 H LEU 21 H LEU 21 12.792 -4.993 1.451 178 HA LEU 21 HA LEU 21 13.775 -7.205 0.018 179 HB2 LEU 21 2HB LEU 21 11.806 -5.307 -0.314 180 HB3 LEU 21 1HB LEU 21 12.933 -4.919 -1.592 181 HG LEU 21 HG LEU 21 12.003 -7.741 -1.247 182 HD11 LEU 21 1HD1 LEU 21 10.139 -5.809 -1.412 183 HD12 LEU 21 2HD1 LEU 21 9.956 -7.413 -2.122 184 HD13 LEU 21 3HD1 LEU 21 10.482 -6.060 -3.124 185 HD21 LEU 21 1HD2 LEU 21 13.450 -7.865 -2.958 186 HD22 LEU 21 2HD2 LEU 21 13.394 -6.128 -3.260 187 HD23 LEU 21 3HD2 LEU 21 12.133 -7.177 -3.907 188 H GLY 22 H GLY 22 15.009 -7.016 -2.048 189 HA2 GLY 22 2HA GLY 22 17.017 -4.869 -2.001 190 HA3 GLY 22 1HA GLY 22 17.555 -6.542 -1.978 191 H GLY 23 H GLY 23 17.142 -3.971 -3.942 192 HA2 GLY 23 2HA GLY 23 17.882 -4.899 -6.297 193 HA3 GLY 23 1HA GLY 23 16.225 -5.480 -6.273 194 H GLY 24 H GLY 24 16.469 -4.016 -8.309 195 HA2 GLY 24 2HA GLY 24 15.392 -1.383 -7.545 196 HA3 GLY 24 1HA GLY 24 16.660 -1.493 -8.756 197 H GLY 25 H GLY 25 14.651 -0.247 -9.732 198 HA2 GLY 25 2HA GLY 25 13.260 -0.280 -11.574 199 HA3 GLY 25 1HA GLY 25 13.586 -1.999 -11.732 200 H ARG 26 H ARG 26 12.246 -3.494 -10.698 201 HA ARG 26 HA ARG 26 9.541 -2.899 -10.575 202 HB2 ARG 26 2HB ARG 26 10.950 -5.184 -10.539 203 HB3 ARG 26 1HB ARG 26 10.531 -5.093 -8.835 204 HG2 ARG 26 2HG ARG 26 8.694 -5.289 -11.197 205 HG3 ARG 26 1HG ARG 26 8.857 -6.397 -9.832 206 HD2 ARG 26 2HD ARG 26 6.939 -5.291 -9.244 207 HD3 ARG 26 1HD ARG 26 8.146 -4.285 -8.445 208 HE ARG 26 HE ARG 26 7.459 -2.569 -9.767 209 HH11 ARG 26 1HH1 ARG 26 6.713 -5.555 -11.410 210 HH12 ARG 26 2HH1 ARG 26 5.941 -4.771 -12.748 211 HH21 ARG 26 1HH2 ARG 26 6.444 -1.536 -11.524 212 HH22 ARG 26 2HH2 ARG 26 5.788 -2.490 -12.813 213 H ILE 27 H ILE 27 11.663 -3.581 -7.793 214 HA ILE 27 HA ILE 27 9.873 -2.923 -5.783 215 HB ILE 27 HB ILE 27 12.858 -2.489 -5.669 216 HG12 ILE 27 2HG1 ILE 27 11.761 -4.968 -4.544 217 HG13 ILE 27 1HG1 ILE 27 11.593 -4.854 -6.292 218 HG21 ILE 27 1HG2 ILE 27 11.470 -1.535 -3.820 219 HG22 ILE 27 2HG2 ILE 27 12.647 -2.743 -3.306 220 HG23 ILE 27 3HG2 ILE 27 10.944 -3.176 -3.448 221 HD11 ILE 27 1HD1 ILE 27 13.625 -5.932 -5.975 222 HD12 ILE 27 2HD1 ILE 27 14.088 -4.869 -4.646 223 HD13 ILE 27 3HD1 ILE 27 14.079 -4.259 -6.300 224 H GLU 28 H GLU 28 11.810 -0.830 -7.797 225 HA GLU 28 HA GLU 28 11.762 1.495 -6.240 226 HB2 GLU 28 2HB GLU 28 12.572 0.760 -8.861 227 HB3 GLU 28 1HB GLU 28 11.559 2.189 -9.009 228 HG2 GLU 28 2HG GLU 28 13.199 3.490 -8.302 229 HG3 GLU 28 1HG GLU 28 13.386 2.530 -6.835 230 H GLU 29 H GLU 29 9.584 0.599 -8.933 231 HA GLU 29 HA GLU 29 7.841 2.764 -8.696 232 HB2 GLU 29 2HB GLU 29 7.814 1.301 -10.636 233 HB3 GLU 29 1HB GLU 29 7.283 -0.052 -9.646 234 HG2 GLU 29 2HG GLU 29 5.149 0.545 -9.800 235 HG3 GLU 29 1HG GLU 29 5.509 2.228 -9.418 236 H LEU 30 H LEU 30 8.072 -0.169 -6.851 237 HA LEU 30 HA LEU 30 5.489 -0.004 -5.645 238 HB2 LEU 30 2HB LEU 30 7.981 -1.556 -4.991 239 HB3 LEU 30 1HB LEU 30 6.535 -1.652 -4.005 240 HG LEU 30 HG LEU 30 6.104 -2.128 -6.879 241 HD11 LEU 30 1HD1 LEU 30 7.780 -3.979 -5.201 242 HD12 LEU 30 2HD1 LEU 30 8.190 -3.255 -6.756 243 HD13 LEU 30 3HD1 LEU 30 6.930 -4.483 -6.662 244 HD21 LEU 30 1HD2 LEU 30 5.087 -4.228 -5.464 245 HD22 LEU 30 2HD2 LEU 30 4.219 -2.741 -5.842 246 HD23 LEU 30 3HD2 LEU 30 5.021 -2.921 -4.282 247 H LYS 31 H LYS 31 8.528 1.496 -5.047 248 HA LYS 31 HA LYS 31 8.089 2.036 -2.268 249 HB2 LYS 31 2HB LYS 31 10.342 1.840 -3.284 250 HB3 LYS 31 1HB LYS 31 10.039 3.320 -4.183 251 HG2 LYS 31 2HG LYS 31 10.597 4.594 -2.453 252 HG3 LYS 31 1HG LYS 31 9.570 3.674 -1.351 253 HD2 LYS 31 2HD LYS 31 12.047 2.330 -2.221 254 HD3 LYS 31 1HD LYS 31 12.265 3.748 -1.193 255 HE2 LYS 31 2HE LYS 31 11.232 2.774 0.606 256 HE3 LYS 31 1HE LYS 31 10.236 1.722 -0.399 257 HZ1 LYS 31 1HZ LYS 31 12.909 1.298 0.647 258 HZ2 LYS 31 2HZ LYS 31 12.667 0.785 -0.946 259 HZ3 LYS 31 3HZ LYS 31 11.691 0.177 0.295 260 H LYS 32 H LYS 32 8.263 4.197 -5.105 261 HA LYS 32 HA LYS 32 7.504 6.543 -3.909 262 HB2 LYS 32 2HB LYS 32 7.749 5.559 -6.573 263 HB3 LYS 32 1HB LYS 32 6.256 6.482 -6.466 264 HG2 LYS 32 2HG LYS 32 7.334 8.450 -6.054 265 HG3 LYS 32 1HG LYS 32 8.725 7.661 -5.307 266 HD2 LYS 32 2HD LYS 32 8.431 6.914 -8.093 267 HD3 LYS 32 1HD LYS 32 8.570 8.661 -7.896 268 HE2 LYS 32 2HE LYS 32 10.507 7.794 -6.208 269 HE3 LYS 32 1HE LYS 32 10.554 6.537 -7.442 270 HZ1 LYS 32 1HZ LYS 32 12.055 8.435 -7.882 271 HZ2 LYS 32 2HZ LYS 32 10.704 9.443 -8.028 272 HZ3 LYS 32 3HZ LYS 32 10.931 8.172 -9.120 273 H LYS 33 H LYS 33 5.359 4.026 -5.183 274 HA LYS 33 HA LYS 33 2.983 5.526 -4.556 275 HB2 LYS 33 2HB LYS 33 3.475 3.621 -6.371 276 HB3 LYS 33 1HB LYS 33 2.815 2.615 -5.090 277 HG2 LYS 33 2HG LYS 33 1.327 5.068 -5.862 278 HG3 LYS 33 1HG LYS 33 1.277 3.672 -6.940 279 HD2 LYS 33 2HD LYS 33 0.815 3.173 -4.055 280 HD3 LYS 33 1HD LYS 33 -0.459 4.013 -4.941 281 HE2 LYS 33 2HE LYS 33 0.649 1.660 -6.305 282 HE3 LYS 33 1HE LYS 33 -0.188 1.310 -4.793 283 HZ1 LYS 33 1HZ LYS 33 -2.171 1.876 -5.659 284 HZ2 LYS 33 2HZ LYS 33 -1.421 1.537 -7.136 285 HZ3 LYS 33 3HZ LYS 33 -1.545 3.135 -6.599 286 H CYS 34 H CYS 34 4.942 3.178 -2.923 287 HA CYS 34 HA CYS 34 3.075 2.067 -1.167 288 HB2 CYS 34 2HB CYS 34 5.881 2.007 -1.522 289 HB3 CYS 34 1HB CYS 34 5.595 2.404 0.164 290 H GLU 35 H GLU 35 5.336 4.759 -0.470 291 HA GLU 35 HA GLU 35 4.226 5.325 2.046 292 HB2 GLU 35 2HB GLU 35 5.461 7.539 1.776 293 HB3 GLU 35 1HB GLU 35 6.423 6.067 1.723 294 HG2 GLU 35 2HG GLU 35 7.098 6.452 -0.357 295 HG3 GLU 35 1HG GLU 35 5.475 6.886 -0.889 296 H GLU 36 H GLU 36 3.887 7.153 -1.008 297 HA GLU 36 HA GLU 36 2.188 9.117 -0.169 298 HB2 GLU 36 2HB GLU 36 3.195 8.525 -2.540 299 HB3 GLU 36 1HB GLU 36 1.603 7.822 -2.793 300 HG2 GLU 36 2HG GLU 36 0.932 10.238 -1.781 301 HG3 GLU 36 1HG GLU 36 2.425 10.632 -2.631 302 H LEU 37 H LEU 37 1.482 5.767 -0.669 303 HA LEU 37 HA LEU 37 -1.349 5.971 -0.777 304 HB2 LEU 37 2HB LEU 37 -0.304 4.049 -1.701 305 HB3 LEU 37 1HB LEU 37 0.550 3.710 -0.212 306 HG LEU 37 HG LEU 37 -1.435 2.950 0.863 307 HD11 LEU 37 1HD1 LEU 37 -2.904 4.714 -0.201 308 HD12 LEU 37 2HD1 LEU 37 -3.622 3.114 -0.018 309 HD13 LEU 37 3HD1 LEU 37 -3.029 3.639 -1.593 310 HD21 LEU 37 1HD2 LEU 37 -1.276 0.977 -0.139 311 HD22 LEU 37 2HD2 LEU 37 -0.380 1.756 -1.443 312 HD23 LEU 37 3HD2 LEU 37 -2.131 1.576 -1.560 313 H LYS 38 H LYS 38 0.972 5.459 1.835 314 HA LYS 38 HA LYS 38 -0.898 4.808 3.843 315 HB2 LYS 38 2HB LYS 38 1.931 5.330 3.668 316 HB3 LYS 38 1HB LYS 38 1.259 6.121 5.087 317 HG2 LYS 38 2HG LYS 38 1.008 4.195 6.171 318 HG3 LYS 38 1HG LYS 38 0.295 3.398 4.767 319 HD2 LYS 38 2HD LYS 38 2.193 2.194 4.763 320 HD3 LYS 38 1HD LYS 38 2.894 3.619 3.995 321 HE2 LYS 38 2HE LYS 38 3.802 4.395 6.026 322 HE3 LYS 38 1HE LYS 38 2.814 3.289 6.980 323 HZ1 LYS 38 1HZ LYS 38 4.088 1.465 5.775 324 HZ2 LYS 38 2HZ LYS 38 4.921 2.334 6.963 325 HZ3 LYS 38 3HZ LYS 38 5.185 2.674 5.328 326 H LYS 39 H LYS 39 0.791 7.908 3.291 327 HA LYS 39 HA LYS 39 -0.498 9.438 5.176 328 HB2 LYS 39 2HB LYS 39 0.154 11.377 3.888 329 HB3 LYS 39 1HB LYS 39 1.438 10.178 3.823 330 HG2 LYS 39 2HG LYS 39 0.387 9.453 1.603 331 HG3 LYS 39 1HG LYS 39 -0.483 10.987 1.673 332 HD2 LYS 39 2HD LYS 39 2.514 10.756 1.892 333 HD3 LYS 39 1HD LYS 39 1.666 11.035 0.370 334 HE2 LYS 39 2HE LYS 39 2.075 13.198 0.939 335 HE3 LYS 39 1HE LYS 39 0.550 12.978 1.797 336 HZ1 LYS 39 1HZ LYS 39 1.810 13.824 3.464 337 HZ2 LYS 39 2HZ LYS 39 3.263 13.207 2.856 338 HZ3 LYS 39 3HZ LYS 39 2.192 12.190 3.681 339 H LYS 40 H LYS 40 -1.703 8.313 2.115 340 HA LYS 40 HA LYS 40 -3.861 10.150 1.885 341 HB2 LYS 40 2HB LYS 40 -2.947 8.849 -0.020 342 HB3 LYS 40 1HB LYS 40 -3.595 7.380 0.697 343 HG2 LYS 40 2HG LYS 40 -5.426 7.739 -0.501 344 HG3 LYS 40 1HG LYS 40 -5.774 9.080 0.591 345 HD2 LYS 40 2HD LYS 40 -4.089 10.324 -1.063 346 HD3 LYS 40 1HD LYS 40 -4.709 9.103 -2.176 347 HE2 LYS 40 2HE LYS 40 -7.027 9.888 -1.180 348 HE3 LYS 40 1HE LYS 40 -6.117 11.361 -0.845 349 HZ1 LYS 40 1HZ LYS 40 -6.069 10.132 -3.528 350 HZ2 LYS 40 2HZ LYS 40 -5.741 11.732 -3.088 351 HZ3 LYS 40 3HZ LYS 40 -7.333 11.161 -3.071 352 H ILE 41 H ILE 41 -3.385 7.216 3.675 353 HA ILE 41 HA ILE 41 -6.179 6.684 4.098 354 HB ILE 41 HB ILE 41 -3.938 5.647 5.820 355 HG12 ILE 41 2HG1 ILE 41 -4.832 4.639 3.111 356 HG13 ILE 41 1HG1 ILE 41 -3.238 5.254 3.533 357 HG21 ILE 41 1HG2 ILE 41 -5.449 3.672 5.963 358 HG22 ILE 41 2HG2 ILE 41 -6.652 4.588 5.055 359 HG23 ILE 41 3HG2 ILE 41 -6.131 5.150 6.642 360 HD11 ILE 41 1HD1 ILE 41 -2.866 3.355 4.989 361 HD12 ILE 41 2HD1 ILE 41 -3.273 2.820 3.358 362 HD13 ILE 41 3HD1 ILE 41 -4.485 2.749 4.638 363 H GLU 42 H GLU 42 -3.599 8.324 5.845 364 HA GLU 42 HA GLU 42 -5.024 8.708 8.263 365 HB2 GLU 42 2HB GLU 42 -2.572 9.879 7.028 366 HB3 GLU 42 1HB GLU 42 -3.298 10.715 8.393 367 HG2 GLU 42 2HG GLU 42 -2.978 7.842 8.803 368 HG3 GLU 42 1HG GLU 42 -1.462 8.707 8.554 369 H GLU 43 H GLU 43 -4.939 10.410 5.225 370 HA GLU 43 HA GLU 43 -6.239 12.774 6.217 371 HB2 GLU 43 2HB GLU 43 -6.196 13.557 3.979 372 HB3 GLU 43 1HB GLU 43 -4.691 12.679 4.210 373 HG2 GLU 43 2HG GLU 43 -5.327 10.953 2.837 374 HG3 GLU 43 1HG GLU 43 -7.046 11.280 3.032 375 H LEU 44 H LEU 44 -7.179 9.748 4.804 376 HA LEU 44 HA LEU 44 -9.777 10.347 3.977 377 HB2 LEU 44 2HB LEU 44 -8.248 7.917 4.658 378 HB3 LEU 44 1HB LEU 44 -9.989 7.759 4.773 379 HG LEU 44 HG LEU 44 -8.474 8.640 2.316 380 HD11 LEU 44 1HD1 LEU 44 -9.507 6.421 1.483 381 HD12 LEU 44 2HD1 LEU 44 -9.613 6.020 3.198 382 HD13 LEU 44 3HD1 LEU 44 -8.046 6.371 2.470 383 HD21 LEU 44 1HD2 LEU 44 -11.335 8.604 3.040 384 HD22 LEU 44 2HD2 LEU 44 -10.924 7.979 1.443 385 HD23 LEU 44 3HD2 LEU 44 -10.465 9.622 1.892 386 H GLY 45 H GLY 45 -11.806 9.593 5.003 387 HA2 GLY 45 2HA GLY 45 -11.762 10.255 7.873 388 HA3 GLY 45 1HA GLY 45 -13.140 10.475 6.806 389 H GLY 46 H GLY 46 -13.310 8.033 5.563 390 HA2 GLY 46 2HA GLY 46 -13.134 5.643 6.487 391 HA3 GLY 46 1HA GLY 46 -14.038 6.310 7.838 392 H GLY 47 H GLY 47 -14.198 6.036 4.289 393 HA2 GLY 47 2HA GLY 47 -16.244 4.664 3.621 394 HA3 GLY 47 1HA GLY 47 -17.132 5.872 4.536 395 H GLY 48 H GLY 48 -17.196 5.095 1.654 396 HA2 GLY 48 2HA GLY 48 -17.794 6.337 -0.217 397 HA3 GLY 48 1HA GLY 48 -17.270 7.792 0.616 398 H GLU 49 H GLU 49 -14.774 7.792 1.001 399 HA GLU 49 HA GLU 49 -13.571 7.360 -1.625 400 HB2 GLU 49 2HB GLU 49 -13.382 9.594 -0.641 401 HB3 GLU 49 1HB GLU 49 -12.575 8.918 0.767 402 HG2 GLU 49 2HG GLU 49 -10.607 9.013 -0.236 403 HG3 GLU 49 1HG GLU 49 -11.215 8.119 -1.629 404 H VAL 50 H VAL 50 -13.490 6.125 1.593 405 HA VAL 50 HA VAL 50 -10.944 5.082 1.820 406 HB VAL 50 HB VAL 50 -12.638 5.004 3.609 407 HG11 VAL 50 1HG1 VAL 50 -14.602 4.345 2.438 408 HG12 VAL 50 2HG1 VAL 50 -14.237 3.072 3.603 409 HG13 VAL 50 3HG1 VAL 50 -13.849 2.844 1.898 410 HG21 VAL 50 1HG2 VAL 50 -11.623 3.272 4.651 411 HG22 VAL 50 2HG2 VAL 50 -10.584 3.326 3.228 412 HG23 VAL 50 3HG2 VAL 50 -11.904 2.160 3.313 413 H LYS 51 H LYS 51 -13.596 3.989 -0.155 414 HA LYS 51 HA LYS 51 -12.640 1.380 -0.694 415 HB2 LYS 51 2HB LYS 51 -14.744 3.153 -1.714 416 HB3 LYS 51 1HB LYS 51 -14.095 2.054 -2.923 417 HG2 LYS 51 2HG LYS 51 -14.590 0.654 -0.461 418 HG3 LYS 51 1HG LYS 51 -16.038 1.511 -0.993 419 HD2 LYS 51 2HD LYS 51 -16.149 -0.616 -2.007 420 HD3 LYS 51 1HD LYS 51 -15.626 0.489 -3.280 421 HE2 LYS 51 2HE LYS 51 -14.200 -1.328 -3.536 422 HE3 LYS 51 1HE LYS 51 -13.239 -0.193 -2.589 423 HZ1 LYS 51 1HZ LYS 51 -13.766 -1.408 -0.601 424 HZ2 LYS 51 2HZ LYS 51 -13.131 -2.482 -1.744 425 HZ3 LYS 51 3HZ LYS 51 -14.796 -2.449 -1.447 426 H LYS 52 H LYS 52 -12.175 4.490 -2.312 427 HA LYS 52 HA LYS 52 -10.852 3.556 -4.596 428 HB2 LYS 52 2HB LYS 52 -11.636 5.816 -4.534 429 HB3 LYS 52 1HB LYS 52 -10.670 6.178 -3.111 430 HG2 LYS 52 2HG LYS 52 -9.734 7.152 -5.157 431 HG3 LYS 52 1HG LYS 52 -8.634 5.999 -4.397 432 HD2 LYS 52 2HD LYS 52 -9.322 4.283 -5.996 433 HD3 LYS 52 1HD LYS 52 -10.443 5.422 -6.744 434 HE2 LYS 52 2HE LYS 52 -7.774 6.523 -6.570 435 HE3 LYS 52 1HE LYS 52 -7.781 4.986 -7.433 436 HZ1 LYS 52 1HZ LYS 52 -8.154 7.041 -8.811 437 HZ2 LYS 52 2HZ LYS 52 -9.669 7.177 -8.072 438 HZ3 LYS 52 3HZ LYS 52 -9.302 5.813 -9.003 439 H VAL 53 H VAL 53 -9.417 4.909 -1.621 440 HA VAL 53 HA VAL 53 -6.752 4.428 -2.241 441 HB VAL 53 HB VAL 53 -7.939 4.282 0.532 442 HG11 VAL 53 1HG1 VAL 53 -5.567 3.569 0.250 443 HG12 VAL 53 2HG1 VAL 53 -5.777 4.971 1.300 444 HG13 VAL 53 3HG1 VAL 53 -5.204 5.185 -0.354 445 HG21 VAL 53 1HG2 VAL 53 -8.759 6.302 -0.359 446 HG22 VAL 53 2HG2 VAL 53 -7.239 6.646 -1.187 447 HG23 VAL 53 3HG2 VAL 53 -7.329 6.750 0.571 448 H GLU 54 H GLU 54 -9.220 2.219 -1.201 449 HA GLU 54 HA GLU 54 -7.555 0.163 -0.207 450 HB2 GLU 54 2HB GLU 54 -10.373 0.499 -0.890 451 HB3 GLU 54 1HB GLU 54 -9.783 -1.119 -1.245 452 HG2 GLU 54 2HG GLU 54 -8.760 -0.772 1.220 453 HG3 GLU 54 1HG GLU 54 -10.212 0.221 1.337 454 H GLU 55 H GLU 55 -8.744 0.958 -3.421 455 HA GLU 55 HA GLU 55 -7.782 -1.415 -4.676 456 HB2 GLU 55 2HB GLU 55 -9.598 -0.096 -5.651 457 HB3 GLU 55 1HB GLU 55 -8.513 1.272 -5.853 458 HG2 GLU 55 2HG GLU 55 -8.048 0.526 -7.880 459 HG3 GLU 55 1HG GLU 55 -7.256 -0.863 -7.138 460 H GLU 56 H GLU 56 -6.405 1.669 -3.871 461 HA GLU 56 HA GLU 56 -4.188 1.567 -5.647 462 HB2 GLU 56 2HB GLU 56 -4.921 3.177 -3.237 463 HB3 GLU 56 1HB GLU 56 -3.265 3.229 -3.821 464 HG2 GLU 56 2HG GLU 56 -4.616 3.633 -6.124 465 HG3 GLU 56 1HG GLU 56 -5.712 4.378 -4.960 466 H VAL 57 H VAL 57 -4.847 0.255 -2.494 467 HA VAL 57 HA VAL 57 -2.082 -0.382 -1.934 468 HB VAL 57 HB VAL 57 -4.529 -1.406 -0.490 469 HG11 VAL 57 1HG1 VAL 57 -1.715 -1.015 0.512 470 HG12 VAL 57 2HG1 VAL 57 -2.344 -2.547 -0.098 471 HG13 VAL 57 3HG1 VAL 57 -3.051 -1.813 1.342 472 HG21 VAL 57 1HG2 VAL 57 -3.056 0.810 0.731 473 HG22 VAL 57 2HG2 VAL 57 -4.792 0.531 0.607 474 HG23 VAL 57 3HG2 VAL 57 -3.915 1.242 -0.747 475 H LYS 58 H LYS 58 -4.824 -1.887 -3.407 476 HA LYS 58 HA LYS 58 -3.913 -4.583 -3.152 477 HB2 LYS 58 2HB LYS 58 -6.180 -3.173 -4.344 478 HB3 LYS 58 1HB LYS 58 -5.656 -4.565 -5.287 479 HG2 LYS 58 2HG LYS 58 -5.808 -5.173 -2.460 480 HG3 LYS 58 1HG LYS 58 -7.345 -4.586 -3.097 481 HD2 LYS 58 2HD LYS 58 -5.971 -6.541 -4.805 482 HD3 LYS 58 1HD LYS 58 -6.490 -7.166 -3.237 483 HE2 LYS 58 2HE LYS 58 -8.701 -6.935 -3.723 484 HE3 LYS 58 1HE LYS 58 -8.438 -5.527 -4.752 485 HZ1 LYS 58 1HZ LYS 58 -8.431 -8.349 -5.436 486 HZ2 LYS 58 2HZ LYS 58 -7.243 -7.413 -6.191 487 HZ3 LYS 58 3HZ LYS 58 -8.876 -7.009 -6.368 488 H LYS 59 H LYS 59 -3.407 -2.009 -5.451 489 HA LYS 59 HA LYS 59 -2.431 -3.698 -7.550 490 HB2 LYS 59 2HB LYS 59 -3.427 -1.460 -7.956 491 HB3 LYS 59 1HB LYS 59 -2.039 -0.725 -7.166 492 HG2 LYS 59 2HG LYS 59 -1.215 -2.538 -9.258 493 HG3 LYS 59 1HG LYS 59 -2.321 -1.307 -9.867 494 HD2 LYS 59 2HD LYS 59 -0.570 0.077 -8.199 495 HD3 LYS 59 1HD LYS 59 0.453 -1.069 -9.068 496 HE2 LYS 59 2HE LYS 59 0.466 0.500 -10.673 497 HE3 LYS 59 1HE LYS 59 -1.126 -0.144 -11.074 498 HZ1 LYS 59 1HZ LYS 59 -0.406 2.385 -9.856 499 HZ2 LYS 59 2HZ LYS 59 -1.743 1.614 -9.162 500 HZ3 LYS 59 3HZ LYS 59 -1.744 1.983 -10.813 501 H LEU 60 H LEU 60 -0.932 -1.765 -4.990 502 HA LEU 60 HA LEU 60 1.734 -2.251 -5.914 503 HB2 LEU 60 2HB LEU 60 0.990 -0.286 -4.510 504 HB3 LEU 60 1HB LEU 60 0.913 -1.385 -3.145 505 HG LEU 60 HG LEU 60 3.465 -1.479 -4.571 506 HD11 LEU 60 1HD1 LEU 60 3.819 0.782 -3.015 507 HD12 LEU 60 2HD1 LEU 60 2.335 1.092 -3.915 508 HD13 LEU 60 3HD1 LEU 60 3.822 0.694 -4.776 509 HD21 LEU 60 1HD2 LEU 60 2.835 -0.958 -1.678 510 HD22 LEU 60 2HD2 LEU 60 4.352 -1.545 -2.361 511 HD23 LEU 60 3HD2 LEU 60 2.914 -2.566 -2.395 512 H GLU 61 H GLU 61 -0.486 -3.945 -3.865 513 HA GLU 61 HA GLU 61 1.415 -5.490 -2.435 514 HB2 GLU 61 2HB GLU 61 -1.284 -5.104 -2.260 515 HB3 GLU 61 1HB GLU 61 -1.208 -6.721 -2.943 516 HG2 GLU 61 2HG GLU 61 0.575 -7.024 -0.992 517 HG3 GLU 61 1HG GLU 61 -0.402 -5.742 -0.277 518 H GLU 62 H GLU 62 -0.706 -6.306 -5.175 519 HA GLU 62 HA GLU 62 0.399 -8.828 -5.696 520 HB2 GLU 62 2HB GLU 62 -1.736 -7.478 -6.637 521 HB3 GLU 62 1HB GLU 62 -0.636 -7.259 -7.991 522 HG2 GLU 62 2HG GLU 62 -0.319 -9.743 -8.013 523 HG3 GLU 62 1HG GLU 62 -1.617 -9.848 -6.824 524 H GLU 63 H GLU 63 1.443 -5.624 -6.508 525 HA GLU 63 HA GLU 63 3.123 -6.192 -8.680 526 HB2 GLU 63 2HB GLU 63 2.696 -3.974 -6.816 527 HB3 GLU 63 1HB GLU 63 4.352 -4.088 -7.390 528 HG2 GLU 63 2HG GLU 63 3.167 -4.327 -9.728 529 HG3 GLU 63 1HG GLU 63 1.862 -3.493 -8.886 530 H ILE 64 H ILE 64 3.804 -6.082 -5.190 531 HA ILE 64 HA ILE 64 6.553 -6.697 -5.394 532 HB ILE 64 HB ILE 64 4.757 -7.359 -3.060 533 HG12 ILE 64 2HG1 ILE 64 6.119 -4.754 -3.766 534 HG13 ILE 64 1HG1 ILE 64 4.389 -5.033 -3.651 535 HG21 ILE 64 1HG2 ILE 64 6.611 -7.849 -1.924 536 HG22 ILE 64 2HG2 ILE 64 7.444 -6.407 -2.505 537 HG23 ILE 64 3HG2 ILE 64 7.438 -7.876 -3.482 538 HD11 ILE 64 1HD1 ILE 64 6.226 -5.379 -1.307 539 HD12 ILE 64 2HD1 ILE 64 4.469 -5.224 -1.312 540 HD13 ILE 64 3HD1 ILE 64 5.479 -3.835 -1.716 541 H LYS 65 H LYS 65 3.694 -8.641 -5.564 542 HA LYS 65 HA LYS 65 4.810 -11.130 -4.827 543 HB2 LYS 65 2HB LYS 65 2.302 -10.149 -5.808 544 HB3 LYS 65 1HB LYS 65 2.763 -11.567 -6.740 545 HG2 LYS 65 2HG LYS 65 1.431 -12.280 -4.898 546 HG3 LYS 65 1HG LYS 65 3.094 -12.790 -4.603 547 HD2 LYS 65 2HD LYS 65 3.434 -11.126 -2.982 548 HD3 LYS 65 1HD LYS 65 2.012 -10.216 -3.498 549 HE2 LYS 65 2HE LYS 65 1.765 -12.995 -2.400 550 HE3 LYS 65 1HE LYS 65 1.869 -11.598 -1.330 551 HZ1 LYS 65 1HZ LYS 65 -0.191 -10.914 -1.876 552 HZ2 LYS 65 2HZ LYS 65 -0.420 -12.541 -2.281 553 HZ3 LYS 65 3HZ LYS 65 -0.067 -11.411 -3.489 554 H LYS 66 H LYS 66 4.764 -9.321 -7.816 555 HA LYS 66 HA LYS 66 5.503 -11.403 -9.568 556 HB2 LYS 66 2HB LYS 66 5.646 -8.417 -9.661 557 HB3 LYS 66 1HB LYS 66 6.495 -9.350 -10.886 558 HG2 LYS 66 2HG LYS 66 3.905 -10.438 -10.694 559 HG3 LYS 66 1HG LYS 66 3.724 -8.683 -10.721 560 HD2 LYS 66 2HD LYS 66 5.660 -9.760 -12.652 561 HD3 LYS 66 1HD LYS 66 3.986 -10.243 -12.931 562 HE2 LYS 66 2HE LYS 66 3.330 -7.856 -12.823 563 HE3 LYS 66 1HE LYS 66 5.035 -7.427 -12.674 564 HZ1 LYS 66 1HZ LYS 66 3.688 -8.701 -14.987 565 HZ2 LYS 66 2HZ LYS 66 5.370 -8.612 -14.837 566 HZ3 LYS 66 3HZ LYS 66 4.454 -7.194 -14.936 567 H LEU 67 H LEU 67 7.547 -8.790 -8.241 568 HA LEU 67 HA LEU 67 9.987 -9.815 -9.080 569 HB2 LEU 67 2HB LEU 67 10.905 -8.439 -7.153 570 HB3 LEU 67 1HB LEU 67 9.968 -7.590 -8.362 571 HG LEU 67 HG LEU 67 8.102 -8.328 -6.427 572 HD11 LEU 67 1HD1 LEU 67 9.484 -8.822 -4.674 573 HD12 LEU 67 2HD1 LEU 67 9.302 -7.081 -4.451 574 HD13 LEU 67 3HD1 LEU 67 10.752 -7.724 -5.221 575 HD21 LEU 67 1HD2 LEU 67 7.643 -6.271 -7.185 576 HD22 LEU 67 2HD2 LEU 67 9.340 -5.890 -7.470 577 HD23 LEU 67 3HD2 LEU 67 8.661 -5.729 -5.851 578 H6 HTS 101 H6 HTS 68 7.779 3.497 3.623 579 H3 HTS 101 H3 HTS 68 7.810 -0.638 0.939 580 H4 HTS 101 H4 HTS 68 9.931 0.487 1.490 581 H5 HTS 101 H5 HTS 68 9.914 2.548 2.837 582 HO1 HTS 101 HO1 HTS 68 5.076 3.114 2.525 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -17.298 -2.872 12.426 2 H2 GLY 1 2H GLY 1 -18.920 -2.507 12.115 3 H3 GLY 1 3H GLY 1 -18.452 -3.038 13.652 4 HA2 GLY 1 1HA GLY 1 -18.862 -0.515 13.191 5 HA3 GLY 1 2HA GLY 1 -17.575 -1.047 14.264 6 H SER 2 H SER 2 -15.406 -1.166 13.410 7 HA SER 2 HA SER 2 -14.892 1.008 11.565 8 HB2 SER 2 2HB SER 2 -12.894 -0.765 12.986 9 HB3 SER 2 1HB SER 2 -12.576 0.794 12.227 10 HG SER 2 HG SER 2 -13.952 1.743 13.790 11 H ARG 3 H ARG 3 -12.754 0.463 10.161 12 HA ARG 3 HA ARG 3 -12.603 -2.098 8.976 13 HB2 ARG 3 2HB ARG 3 -14.840 -1.297 8.118 14 HB3 ARG 3 1HB ARG 3 -13.977 -0.033 7.254 15 HG2 ARG 3 2HG ARG 3 -12.646 -2.338 6.523 16 HG3 ARG 3 1HG ARG 3 -14.340 -2.831 6.586 17 HD2 ARG 3 2HD ARG 3 -13.282 -0.441 5.079 18 HD3 ARG 3 1HD ARG 3 -13.657 -2.006 4.359 19 HE ARG 3 HE ARG 3 -15.522 0.038 5.141 20 HH11 ARG 3 1HH1 ARG 3 -15.104 -3.372 4.526 21 HH12 ARG 3 2HH1 ARG 3 -16.779 -3.642 4.178 22 HH21 ARG 3 1HH2 ARG 3 -17.725 -0.315 4.685 23 HH22 ARG 3 2HH2 ARG 3 -18.267 -1.906 4.268 24 H VAL 4 H VAL 4 -12.208 1.382 8.470 25 HA VAL 4 HA VAL 4 -10.072 1.176 6.620 26 HB VAL 4 HB VAL 4 -10.613 3.496 8.474 27 HG11 VAL 4 1HG1 VAL 4 -9.655 4.796 6.570 28 HG12 VAL 4 2HG1 VAL 4 -9.225 3.264 5.810 29 HG13 VAL 4 3HG1 VAL 4 -8.510 3.712 7.358 30 HG21 VAL 4 1HG2 VAL 4 -12.686 3.060 7.418 31 HG22 VAL 4 2HG2 VAL 4 -11.912 2.740 5.866 32 HG23 VAL 4 3HG2 VAL 4 -11.945 4.380 6.515 33 H LYS 5 H LYS 5 -10.238 1.090 10.098 34 HA LYS 5 HA LYS 5 -7.607 1.767 10.748 35 HB2 LYS 5 2HB LYS 5 -7.979 0.523 12.831 36 HB3 LYS 5 1HB LYS 5 -9.361 1.536 12.433 37 HG2 LYS 5 2HG LYS 5 -10.650 -0.320 11.749 38 HG3 LYS 5 1HG LYS 5 -9.243 -1.385 11.748 39 HD2 LYS 5 2HD LYS 5 -9.321 -0.369 14.330 40 HD3 LYS 5 1HD LYS 5 -11.016 -0.651 13.926 41 HE2 LYS 5 2HE LYS 5 -8.751 -2.633 13.882 42 HE3 LYS 5 1HE LYS 5 -10.177 -2.647 14.917 43 HZ1 LYS 5 1HZ LYS 5 -10.009 -3.228 12.024 44 HZ2 LYS 5 2HZ LYS 5 -11.480 -2.848 12.767 45 HZ3 LYS 5 3HZ LYS 5 -10.611 -4.212 13.262 46 H ALA 6 H ALA 6 -9.000 -1.244 9.609 47 HA ALA 6 HA ALA 6 -6.628 -2.799 10.054 48 HB1 ALA 6 1HB ALA 6 -8.007 -4.300 8.314 49 HB2 ALA 6 2HB ALA 6 -9.308 -3.263 8.899 50 HB3 ALA 6 3HB ALA 6 -8.376 -4.235 10.037 51 H LEU 7 H LEU 7 -7.850 -0.786 7.515 52 HA LEU 7 HA LEU 7 -6.324 -1.861 5.377 53 HB2 LEU 7 2HB LEU 7 -8.336 -0.040 5.585 54 HB3 LEU 7 1HB LEU 7 -6.964 1.012 5.294 55 HG LEU 7 HG LEU 7 -7.885 -1.246 3.515 56 HD11 LEU 7 1HD1 LEU 7 -7.975 0.950 1.990 57 HD12 LEU 7 2HD1 LEU 7 -8.328 1.673 3.560 58 HD13 LEU 7 3HD1 LEU 7 -9.348 0.377 2.937 59 HD21 LEU 7 1HD2 LEU 7 -5.667 -1.282 3.034 60 HD22 LEU 7 2HD2 LEU 7 -5.405 0.371 3.592 61 HD23 LEU 7 3HD2 LEU 7 -6.132 0.079 2.012 62 H GLU 8 H GLU 8 -5.637 0.411 7.925 63 HA GLU 8 HA GLU 8 -3.236 1.426 6.691 64 HB2 GLU 8 2HB GLU 8 -4.138 1.728 9.558 65 HB3 GLU 8 1HB GLU 8 -2.948 2.709 8.714 66 HG2 GLU 8 2HG GLU 8 -4.542 3.836 7.490 67 HG3 GLU 8 1HG GLU 8 -5.742 2.557 7.681 68 H GLU 9 H GLU 9 -4.022 -0.807 9.331 69 HA GLU 9 HA GLU 9 -1.348 -1.303 10.102 70 HB2 GLU 9 2HB GLU 9 -2.206 -3.044 11.462 71 HB3 GLU 9 1HB GLU 9 -3.432 -1.786 11.452 72 HG2 GLU 9 2HG GLU 9 -4.715 -3.652 11.169 73 HG3 GLU 9 1HG GLU 9 -4.438 -3.180 9.495 74 H LYS 10 H LYS 10 -3.202 -2.398 7.436 75 HA LYS 10 HA LYS 10 -1.827 -4.859 6.988 76 HB2 LYS 10 2HB LYS 10 -4.045 -3.486 5.871 77 HB3 LYS 10 1HB LYS 10 -2.919 -3.803 4.560 78 HG2 LYS 10 2HG LYS 10 -2.867 -6.200 5.343 79 HG3 LYS 10 1HG LYS 10 -4.225 -5.791 6.393 80 HD2 LYS 10 2HD LYS 10 -5.196 -6.679 4.441 81 HD3 LYS 10 1HD LYS 10 -5.385 -4.930 4.298 82 HE2 LYS 10 2HE LYS 10 -3.146 -5.039 3.005 83 HE3 LYS 10 1HE LYS 10 -3.510 -6.757 2.843 84 HZ1 LYS 10 1HZ LYS 10 -4.518 -5.974 0.984 85 HZ2 LYS 10 2HZ LYS 10 -4.845 -4.452 1.643 86 HZ3 LYS 10 3HZ LYS 10 -5.810 -5.777 2.058 87 H VAL 11 H VAL 11 -1.690 -1.690 5.364 88 HA VAL 11 HA VAL 11 0.419 -2.304 3.630 89 HB VAL 11 HB VAL 11 -0.221 0.423 4.759 90 HG11 VAL 11 1HG1 VAL 11 1.844 -0.372 3.089 91 HG12 VAL 11 2HG1 VAL 11 1.251 1.273 3.317 92 HG13 VAL 11 3HG1 VAL 11 0.630 0.289 1.992 93 HG21 VAL 11 1HG2 VAL 11 -1.996 -1.182 3.459 94 HG22 VAL 11 2HG2 VAL 11 -1.281 -0.284 2.121 95 HG23 VAL 11 3HG2 VAL 11 -2.041 0.580 3.457 96 H LYS 12 H LYS 12 0.428 -1.353 6.960 97 HA LYS 12 HA LYS 12 3.044 -0.419 7.234 98 HB2 LYS 12 2HB LYS 12 1.290 -0.269 8.989 99 HB3 LYS 12 1HB LYS 12 1.450 -1.998 9.264 100 HG2 LYS 12 2HG LYS 12 4.042 -0.960 9.459 101 HG3 LYS 12 1HG LYS 12 3.000 0.170 10.327 102 HD2 LYS 12 2HD LYS 12 2.773 -2.787 10.769 103 HD3 LYS 12 1HD LYS 12 3.997 -1.835 11.612 104 HE2 LYS 12 2HE LYS 12 2.362 -1.580 13.145 105 HE3 LYS 12 1HE LYS 12 1.820 -0.309 12.050 106 HZ1 LYS 12 1HZ LYS 12 0.795 -3.084 12.238 107 HZ2 LYS 12 2HZ LYS 12 0.401 -2.038 10.970 108 HZ3 LYS 12 3HZ LYS 12 -0.044 -1.649 12.554 109 H ALA 13 H ALA 13 1.761 -3.693 7.184 110 HA ALA 13 HA ALA 13 4.320 -4.896 7.805 111 HB1 ALA 13 1HB ALA 13 1.567 -5.852 7.331 112 HB2 ALA 13 2HB ALA 13 2.763 -6.378 8.516 113 HB3 ALA 13 3HB ALA 13 2.858 -6.954 6.852 114 H LEU 14 H LEU 14 2.560 -3.841 5.079 115 HA LEU 14 HA LEU 14 3.728 -5.379 3.034 116 HB2 LEU 14 2HB LEU 14 1.647 -3.793 3.118 117 HB3 LEU 14 1HB LEU 14 2.796 -2.558 2.651 118 HG LEU 14 HG LEU 14 2.770 -5.037 1.017 119 HD11 LEU 14 1HD1 LEU 14 0.488 -3.094 1.154 120 HD12 LEU 14 2HD1 LEU 14 0.444 -4.857 1.176 121 HD13 LEU 14 3HD1 LEU 14 0.850 -4.003 -0.313 122 HD21 LEU 14 1HD2 LEU 14 2.682 -2.194 0.078 123 HD22 LEU 14 2HD2 LEU 14 3.380 -3.608 -0.711 124 HD23 LEU 14 3HD2 LEU 14 4.175 -2.901 0.695 125 H GLU 15 H GLU 15 4.818 -2.646 4.851 126 HA GLU 15 HA GLU 15 6.795 -1.746 2.999 127 HB2 GLU 15 2HB GLU 15 5.966 -0.128 4.512 128 HB3 GLU 15 1HB GLU 15 6.215 -1.175 5.900 129 HG2 GLU 15 2HG GLU 15 8.633 -0.946 5.642 130 HG3 GLU 15 1HG GLU 15 8.384 0.098 4.242 131 H GLU 16 H GLU 16 6.870 -3.682 5.980 132 HA GLU 16 HA GLU 16 9.604 -4.045 6.211 133 HB2 GLU 16 2HB GLU 16 7.361 -5.963 6.854 134 HB3 GLU 16 1HB GLU 16 9.029 -6.199 7.357 135 HG2 GLU 16 2HG GLU 16 7.713 -3.634 8.053 136 HG3 GLU 16 1HG GLU 16 7.237 -5.084 8.935 137 H LYS 17 H LYS 17 7.376 -5.458 3.954 138 HA LYS 17 HA LYS 17 9.100 -7.586 3.115 139 HB2 LYS 17 2HB LYS 17 6.432 -7.045 2.818 140 HB3 LYS 17 1HB LYS 17 7.051 -6.675 1.214 141 HG2 LYS 17 2HG LYS 17 8.131 -8.937 1.210 142 HG3 LYS 17 1HG LYS 17 7.250 -9.281 2.701 143 HD2 LYS 17 2HD LYS 17 6.023 -8.547 0.043 144 HD3 LYS 17 1HD LYS 17 6.063 -10.161 0.757 145 HE2 LYS 17 2HE LYS 17 4.047 -9.624 1.579 146 HE3 LYS 17 1HE LYS 17 4.956 -8.692 2.769 147 HZ1 LYS 17 1HZ LYS 17 3.502 -7.751 0.392 148 HZ2 LYS 17 2HZ LYS 17 4.809 -6.849 0.974 149 HZ3 LYS 17 3HZ LYS 17 3.477 -7.149 1.972 150 H VAL 18 H VAL 18 8.317 -4.355 1.913 151 HA VAL 18 HA VAL 18 9.974 -4.597 -0.417 152 HB VAL 18 HB VAL 18 8.877 -2.083 0.804 153 HG11 VAL 18 1HG1 VAL 18 9.635 -2.674 -2.052 154 HG12 VAL 18 2HG1 VAL 18 10.673 -1.835 -0.899 155 HG13 VAL 18 3HG1 VAL 18 9.135 -1.122 -1.381 156 HG21 VAL 18 1HG2 VAL 18 7.619 -3.868 -1.275 157 HG22 VAL 18 2HG2 VAL 18 6.972 -2.335 -0.689 158 HG23 VAL 18 3HG2 VAL 18 7.090 -3.717 0.401 159 H LYS 19 H LYS 19 10.205 -2.712 2.600 160 HA LYS 19 HA LYS 19 12.603 -1.456 2.179 161 HB2 LYS 19 2HB LYS 19 11.253 -2.467 4.650 162 HB3 LYS 19 1HB LYS 19 12.866 -1.775 4.766 163 HG2 LYS 19 2HG LYS 19 11.342 0.001 3.206 164 HG3 LYS 19 1HG LYS 19 10.341 -0.456 4.584 165 HD2 LYS 19 2HD LYS 19 13.191 0.498 4.818 166 HD3 LYS 19 1HD LYS 19 11.786 1.556 4.962 167 HE2 LYS 19 2HE LYS 19 11.538 -0.788 6.643 168 HE3 LYS 19 1HE LYS 19 13.009 0.114 7.001 169 HZ1 LYS 19 1HZ LYS 19 10.612 1.715 6.681 170 HZ2 LYS 19 2HZ LYS 19 11.853 1.837 7.824 171 HZ3 LYS 19 3HZ LYS 19 10.622 0.695 8.032 172 H ALA 20 H ALA 20 12.049 -4.808 2.999 173 HA ALA 20 HA ALA 20 14.884 -5.293 3.460 174 HB1 ALA 20 1HB ALA 20 13.855 -7.743 3.595 175 HB2 ALA 20 2HB ALA 20 12.381 -6.818 3.889 176 HB3 ALA 20 3HB ALA 20 13.779 -6.609 4.944 177 H LEU 21 H LEU 21 12.766 -5.227 0.839 178 HA LEU 21 HA LEU 21 13.712 -7.373 -0.719 179 HB2 LEU 21 2HB LEU 21 11.730 -5.511 -0.952 180 HB3 LEU 21 1HB LEU 21 12.869 -4.955 -2.161 181 HG LEU 21 HG LEU 21 11.787 -7.767 -2.056 182 HD11 LEU 21 1HD1 LEU 21 9.891 -7.013 -2.916 183 HD12 LEU 21 2HD1 LEU 21 10.793 -6.378 -4.292 184 HD13 LEU 21 3HD1 LEU 21 10.494 -5.356 -2.885 185 HD21 LEU 21 1HD2 LEU 21 12.536 -7.370 -4.592 186 HD22 LEU 21 2HD2 LEU 21 13.622 -8.011 -3.359 187 HD23 LEU 21 3HD2 LEU 21 13.684 -6.301 -3.786 188 H GLY 22 H GLY 22 14.329 -3.907 -1.307 189 HA2 GLY 22 2HA GLY 22 16.295 -2.822 -1.859 190 HA3 GLY 22 1HA GLY 22 17.164 -4.311 -1.527 191 H GLY 23 H GLY 23 17.241 -2.298 -3.785 192 HA2 GLY 23 2HA GLY 23 18.233 -3.399 -5.870 193 HA3 GLY 23 1HA GLY 23 16.641 -4.127 -6.019 194 H GLY 24 H GLY 24 16.750 -3.057 -8.159 195 HA2 GLY 24 2HA GLY 24 15.578 -0.371 -7.941 196 HA3 GLY 24 1HA GLY 24 16.941 -0.612 -9.025 197 H GLY 25 H GLY 25 14.082 0.155 -9.499 198 HA2 GLY 25 2HA GLY 25 13.111 -0.199 -11.691 199 HA3 GLY 25 1HA GLY 25 13.551 -1.894 -11.554 200 H ARG 26 H ARG 26 12.247 -3.295 -10.384 201 HA ARG 26 HA ARG 26 9.498 -2.678 -10.315 202 HB2 ARG 26 2HB ARG 26 10.999 -4.985 -10.223 203 HB3 ARG 26 1HB ARG 26 10.319 -4.912 -8.604 204 HG2 ARG 26 2HG ARG 26 8.832 -4.980 -11.216 205 HG3 ARG 26 1HG ARG 26 8.858 -6.210 -9.952 206 HD2 ARG 26 2HD ARG 26 7.151 -5.241 -8.915 207 HD3 ARG 26 1HD ARG 26 8.019 -3.710 -8.837 208 HE ARG 26 HE ARG 26 6.796 -2.956 -10.622 209 HH11 ARG 26 1HH1 ARG 26 6.405 -6.413 -10.350 210 HH12 ARG 26 2HH1 ARG 26 5.145 -6.489 -11.535 211 HH21 ARG 26 1HH2 ARG 26 5.138 -3.055 -12.180 212 HH22 ARG 26 2HH2 ARG 26 4.426 -4.584 -12.575 213 H ILE 27 H ILE 27 11.768 -3.292 -7.638 214 HA ILE 27 HA ILE 27 10.009 -2.719 -5.553 215 HB ILE 27 HB ILE 27 13.003 -2.317 -5.576 216 HG12 ILE 27 2HG1 ILE 27 12.580 -4.641 -4.248 217 HG13 ILE 27 1HG1 ILE 27 11.266 -4.707 -5.415 218 HG21 ILE 27 1HG2 ILE 27 10.945 -2.129 -3.473 219 HG22 ILE 27 2HG2 ILE 27 12.524 -1.354 -3.592 220 HG23 ILE 27 3HG2 ILE 27 12.402 -3.027 -3.050 221 HD11 ILE 27 1HD1 ILE 27 14.040 -5.258 -5.782 222 HD12 ILE 27 2HD1 ILE 27 13.550 -3.940 -6.848 223 HD13 ILE 27 3HD1 ILE 27 12.698 -5.484 -6.904 224 H GLU 28 H GLU 28 11.854 -0.567 -7.601 225 HA GLU 28 HA GLU 28 11.794 1.730 -5.988 226 HB2 GLU 28 2HB GLU 28 12.497 1.065 -8.701 227 HB3 GLU 28 1HB GLU 28 11.607 2.581 -8.669 228 HG2 GLU 28 2HG GLU 28 13.462 2.711 -6.565 229 HG3 GLU 28 1HG GLU 28 14.326 2.058 -7.957 230 H GLU 29 H GLU 29 9.627 0.849 -8.690 231 HA GLU 29 HA GLU 29 7.849 2.984 -8.389 232 HB2 GLU 29 2HB GLU 29 7.891 1.578 -10.385 233 HB3 GLU 29 1HB GLU 29 7.324 0.201 -9.450 234 HG2 GLU 29 2HG GLU 29 5.240 0.772 -9.899 235 HG3 GLU 29 1HG GLU 29 5.478 2.290 -9.035 236 H LEU 30 H LEU 30 8.149 0.020 -6.618 237 HA LEU 30 HA LEU 30 5.532 0.076 -5.459 238 HB2 LEU 30 2HB LEU 30 8.045 -1.459 -4.845 239 HB3 LEU 30 1HB LEU 30 6.601 -1.610 -3.862 240 HG LEU 30 HG LEU 30 6.263 -2.019 -6.778 241 HD11 LEU 30 1HD1 LEU 30 8.002 -3.440 -6.871 242 HD12 LEU 30 2HD1 LEU 30 6.908 -4.534 -6.027 243 HD13 LEU 30 3HD1 LEU 30 8.100 -3.604 -5.118 244 HD21 LEU 30 1HD2 LEU 30 4.290 -2.542 -5.853 245 HD22 LEU 30 2HD2 LEU 30 4.989 -2.769 -4.250 246 HD23 LEU 30 3HD2 LEU 30 5.063 -4.070 -5.440 247 H LYS 31 H LYS 31 8.543 1.595 -4.760 248 HA LYS 31 HA LYS 31 8.048 2.030 -1.968 249 HB2 LYS 31 2HB LYS 31 10.322 1.888 -2.880 250 HB3 LYS 31 1HB LYS 31 10.033 3.333 -3.837 251 HG2 LYS 31 2HG LYS 31 10.387 4.705 -2.107 252 HG3 LYS 31 1HG LYS 31 9.537 3.657 -0.970 253 HD2 LYS 31 2HD LYS 31 11.426 2.390 -0.526 254 HD3 LYS 31 1HD LYS 31 12.206 2.841 -2.045 255 HE2 LYS 31 2HE LYS 31 12.180 5.238 -1.015 256 HE3 LYS 31 1HE LYS 31 11.988 4.377 0.511 257 HZ1 LYS 31 1HZ LYS 31 14.343 4.943 -0.369 258 HZ2 LYS 31 2HZ LYS 31 14.127 3.575 -1.339 259 HZ3 LYS 31 3HZ LYS 31 14.059 3.435 0.345 260 H LYS 32 H LYS 32 8.262 4.294 -4.722 261 HA LYS 32 HA LYS 32 7.434 6.577 -3.433 262 HB2 LYS 32 2HB LYS 32 7.470 5.642 -6.229 263 HB3 LYS 32 1HB LYS 32 6.368 6.972 -5.899 264 HG2 LYS 32 2HG LYS 32 9.050 7.292 -4.758 265 HG3 LYS 32 1HG LYS 32 8.988 7.253 -6.520 266 HD2 LYS 32 2HD LYS 32 6.995 8.940 -5.107 267 HD3 LYS 32 1HD LYS 32 8.668 9.502 -5.137 268 HE2 LYS 32 2HE LYS 32 7.743 8.550 -7.729 269 HE3 LYS 32 1HE LYS 32 6.781 9.892 -7.111 270 HZ1 LYS 32 1HZ LYS 32 9.721 10.044 -7.058 271 HZ2 LYS 32 2HZ LYS 32 8.588 11.298 -7.109 272 HZ3 LYS 32 3HZ LYS 32 8.887 10.374 -8.493 273 H LYS 33 H LYS 33 5.414 4.048 -4.843 274 HA LYS 33 HA LYS 33 2.974 5.485 -4.314 275 HB2 LYS 33 2HB LYS 33 3.531 3.704 -6.178 276 HB3 LYS 33 1HB LYS 33 2.996 2.571 -4.947 277 HG2 LYS 33 2HG LYS 33 0.858 3.769 -4.793 278 HG3 LYS 33 1HG LYS 33 1.397 4.860 -6.070 279 HD2 LYS 33 2HD LYS 33 -0.041 3.113 -6.973 280 HD3 LYS 33 1HD LYS 33 1.600 2.959 -7.603 281 HE2 LYS 33 2HE LYS 33 1.202 1.457 -5.146 282 HE3 LYS 33 1HE LYS 33 0.098 0.958 -6.425 283 HZ1 LYS 33 1HZ LYS 33 2.192 -0.285 -6.445 284 HZ2 LYS 33 2HZ LYS 33 3.046 1.149 -6.714 285 HZ3 LYS 33 3HZ LYS 33 1.961 0.582 -7.880 286 H CYS 34 H CYS 34 4.925 3.166 -2.639 287 HA CYS 34 HA CYS 34 2.996 1.994 -0.976 288 HB2 CYS 34 2HB CYS 34 5.814 1.941 -1.256 289 HB3 CYS 34 1HB CYS 34 5.483 2.287 0.433 290 H GLU 35 H GLU 35 5.234 4.671 -0.149 291 HA GLU 35 HA GLU 35 4.005 5.182 2.337 292 HB2 GLU 35 2HB GLU 35 5.314 7.345 2.234 293 HB3 GLU 35 1HB GLU 35 6.251 5.863 2.112 294 HG2 GLU 35 2HG GLU 35 7.060 6.449 0.140 295 HG3 GLU 35 1HG GLU 35 5.445 6.770 -0.486 296 H GLU 36 H GLU 36 3.721 6.832 -0.802 297 HA GLU 36 HA GLU 36 2.079 8.922 -0.031 298 HB2 GLU 36 2HB GLU 36 3.147 8.456 -2.317 299 HB3 GLU 36 1HB GLU 36 1.730 7.468 -2.644 300 HG2 GLU 36 2HG GLU 36 0.370 9.249 -2.886 301 HG3 GLU 36 1HG GLU 36 1.211 10.197 -1.660 302 H LEU 37 H LEU 37 1.357 5.571 -0.456 303 HA LEU 37 HA LEU 37 -1.471 5.802 -0.642 304 HB2 LEU 37 2HB LEU 37 -0.519 3.836 -1.511 305 HB3 LEU 37 1HB LEU 37 0.436 3.555 -0.072 306 HG LEU 37 HG LEU 37 -1.476 2.817 1.156 307 HD11 LEU 37 1HD1 LEU 37 -3.690 3.004 0.497 308 HD12 LEU 37 2HD1 LEU 37 -3.272 3.224 -1.201 309 HD13 LEU 37 3HD1 LEU 37 -3.000 4.531 -0.050 310 HD21 LEU 37 1HD2 LEU 37 -2.060 1.467 -1.404 311 HD22 LEU 37 2HD2 LEU 37 -1.665 0.789 0.176 312 HD23 LEU 37 3HD2 LEU 37 -0.385 1.430 -0.853 313 H LYS 38 H LYS 38 0.778 5.197 2.026 314 HA LYS 38 HA LYS 38 -1.077 4.603 4.017 315 HB2 LYS 38 2HB LYS 38 1.702 5.074 3.862 316 HB3 LYS 38 1HB LYS 38 1.088 6.142 5.116 317 HG2 LYS 38 2HG LYS 38 1.151 4.427 6.512 318 HG3 LYS 38 1HG LYS 38 -0.150 3.684 5.579 319 HD2 LYS 38 2HD LYS 38 1.292 2.010 5.215 320 HD3 LYS 38 1HD LYS 38 2.081 3.108 4.079 321 HE2 LYS 38 2HE LYS 38 3.864 2.513 5.388 322 HE3 LYS 38 1HE LYS 38 3.306 3.948 6.247 323 HZ1 LYS 38 1HZ LYS 38 2.588 2.735 7.993 324 HZ2 LYS 38 2HZ LYS 38 3.763 1.645 7.452 325 HZ3 LYS 38 3HZ LYS 38 2.138 1.403 7.051 326 H LYS 39 H LYS 39 0.458 7.770 3.404 327 HA LYS 39 HA LYS 39 -0.963 9.264 5.237 328 HB2 LYS 39 2HB LYS 39 -0.267 11.199 4.044 329 HB3 LYS 39 1HB LYS 39 1.010 10.006 3.848 330 HG2 LYS 39 2HG LYS 39 -0.379 9.455 1.652 331 HG3 LYS 39 1HG LYS 39 -0.853 11.143 1.849 332 HD2 LYS 39 2HD LYS 39 2.019 10.245 1.914 333 HD3 LYS 39 1HD LYS 39 1.197 10.699 0.418 334 HE2 LYS 39 2HE LYS 39 0.655 12.895 1.473 335 HE3 LYS 39 1HE LYS 39 1.662 12.429 2.843 336 HZ1 LYS 39 1HZ LYS 39 2.644 12.569 0.046 337 HZ2 LYS 39 2HZ LYS 39 3.570 12.349 1.444 338 HZ3 LYS 39 3HZ LYS 39 2.802 13.830 1.165 339 H LYS 40 H LYS 40 -1.981 8.058 2.135 340 HA LYS 40 HA LYS 40 -4.208 9.781 1.786 341 HB2 LYS 40 2HB LYS 40 -2.990 8.195 0.092 342 HB3 LYS 40 1HB LYS 40 -4.143 7.001 0.673 343 HG2 LYS 40 2HG LYS 40 -5.301 7.821 -1.100 344 HG3 LYS 40 1HG LYS 40 -5.869 8.926 0.153 345 HD2 LYS 40 2HD LYS 40 -4.820 10.698 -0.762 346 HD3 LYS 40 1HD LYS 40 -3.394 9.754 -1.198 347 HE2 LYS 40 2HE LYS 40 -4.171 10.139 -3.292 348 HE3 LYS 40 1HE LYS 40 -5.134 8.707 -2.930 349 HZ1 LYS 40 1HZ LYS 40 -7.027 9.907 -2.762 350 HZ2 LYS 40 2HZ LYS 40 -6.202 10.947 -3.809 351 HZ3 LYS 40 3HZ LYS 40 -6.255 11.284 -2.152 352 H ILE 41 H ILE 41 -3.707 6.815 3.556 353 HA ILE 41 HA ILE 41 -6.488 6.230 3.924 354 HB ILE 41 HB ILE 41 -4.268 5.267 5.718 355 HG12 ILE 41 2HG1 ILE 41 -5.084 4.202 3.004 356 HG13 ILE 41 1HG1 ILE 41 -3.513 4.860 3.449 357 HG21 ILE 41 1HG2 ILE 41 -6.960 4.177 4.924 358 HG22 ILE 41 2HG2 ILE 41 -6.437 4.711 6.522 359 HG23 ILE 41 3HG2 ILE 41 -5.752 3.248 5.814 360 HD11 ILE 41 1HD1 ILE 41 -3.893 2.815 5.257 361 HD12 ILE 41 2HD1 ILE 41 -2.893 2.763 3.805 362 HD13 ILE 41 3HD1 ILE 41 -4.557 2.180 3.752 363 H GLU 42 H GLU 42 -4.068 8.099 5.614 364 HA GLU 42 HA GLU 42 -5.500 8.414 8.047 365 HB2 GLU 42 2HB GLU 42 -2.968 9.068 7.141 366 HB3 GLU 42 1HB GLU 42 -3.736 10.636 7.343 367 HG2 GLU 42 2HG GLU 42 -4.037 10.340 9.622 368 HG3 GLU 42 1HG GLU 42 -3.870 8.588 9.515 369 H GLU 43 H GLU 43 -5.504 10.072 4.973 370 HA GLU 43 HA GLU 43 -7.006 12.335 5.882 371 HB2 GLU 43 2HB GLU 43 -7.077 13.012 3.598 372 HB3 GLU 43 1HB GLU 43 -5.485 12.322 3.872 373 HG2 GLU 43 2HG GLU 43 -5.806 10.680 2.394 374 HG3 GLU 43 1HG GLU 43 -7.473 10.412 2.891 375 H LEU 44 H LEU 44 -7.727 9.181 4.636 376 HA LEU 44 HA LEU 44 -10.372 9.546 3.808 377 HB2 LEU 44 2HB LEU 44 -8.631 7.296 4.509 378 HB3 LEU 44 1HB LEU 44 -10.329 6.984 4.809 379 HG LEU 44 HG LEU 44 -9.097 7.780 2.172 380 HD11 LEU 44 1HD1 LEU 44 -9.793 5.553 1.457 381 HD12 LEU 44 2HD1 LEU 44 -10.385 5.211 3.083 382 HD13 LEU 44 3HD1 LEU 44 -8.662 5.467 2.808 383 HD21 LEU 44 1HD2 LEU 44 -11.522 7.119 1.443 384 HD22 LEU 44 2HD2 LEU 44 -11.173 8.750 2.011 385 HD23 LEU 44 3HD2 LEU 44 -11.924 7.581 3.096 386 H GLY 45 H GLY 45 -12.268 8.430 4.967 387 HA2 GLY 45 2HA GLY 45 -12.171 8.808 7.872 388 HA3 GLY 45 1HA GLY 45 -13.329 9.764 6.959 389 H GLY 46 H GLY 46 -14.836 8.483 5.539 390 HA2 GLY 46 2HA GLY 46 -15.301 5.753 5.849 391 HA3 GLY 46 1HA GLY 46 -16.198 6.570 7.120 392 H GLY 47 H GLY 47 -15.585 7.647 3.797 393 HA2 GLY 47 2HA GLY 47 -18.505 7.800 3.430 394 HA3 GLY 47 1HA GLY 47 -17.327 8.790 2.581 395 H GLY 48 H GLY 48 -17.258 8.291 0.500 396 HA2 GLY 48 2HA GLY 48 -17.686 5.479 -0.279 397 HA3 GLY 48 1HA GLY 48 -18.019 6.865 -1.305 398 H GLU 49 H GLU 49 -15.485 8.176 -0.530 399 HA GLU 49 HA GLU 49 -13.868 7.230 -2.619 400 HB2 GLU 49 2HB GLU 49 -13.903 9.533 -1.397 401 HB3 GLU 49 1HB GLU 49 -12.738 8.782 -0.316 402 HG2 GLU 49 2HG GLU 49 -11.350 8.249 -2.329 403 HG3 GLU 49 1HG GLU 49 -12.463 9.237 -3.273 404 H VAL 50 H VAL 50 -14.223 6.135 0.609 405 HA VAL 50 HA VAL 50 -11.739 5.148 1.281 406 HB VAL 50 HB VAL 50 -14.318 3.656 1.755 407 HG11 VAL 50 1HG1 VAL 50 -12.445 3.689 3.936 408 HG12 VAL 50 2HG1 VAL 50 -11.668 3.096 2.469 409 HG13 VAL 50 3HG1 VAL 50 -13.131 2.315 3.068 410 HG21 VAL 50 1HG2 VAL 50 -13.373 6.240 2.786 411 HG22 VAL 50 2HG2 VAL 50 -13.917 5.100 4.017 412 HG23 VAL 50 3HG2 VAL 50 -15.004 5.574 2.711 413 H LYS 51 H LYS 51 -13.964 3.976 -1.126 414 HA LYS 51 HA LYS 51 -12.773 1.397 -1.430 415 HB2 LYS 51 2HB LYS 51 -14.559 2.983 -3.282 416 HB3 LYS 51 1HB LYS 51 -14.104 1.302 -3.528 417 HG2 LYS 51 2HG LYS 51 -15.192 1.691 -0.889 418 HG3 LYS 51 1HG LYS 51 -16.307 2.273 -2.128 419 HD2 LYS 51 2HD LYS 51 -16.771 0.197 -2.838 420 HD3 LYS 51 1HD LYS 51 -15.078 -0.296 -2.783 421 HE2 LYS 51 2HE LYS 51 -16.778 -0.008 -0.318 422 HE3 LYS 51 1HE LYS 51 -16.656 -1.516 -1.223 423 HZ1 LYS 51 1HZ LYS 51 -14.965 -1.875 0.195 424 HZ2 LYS 51 2HZ LYS 51 -14.715 -0.234 0.513 425 HZ3 LYS 51 3HZ LYS 51 -14.084 -0.926 -0.894 426 H LYS 52 H LYS 52 -12.190 4.564 -2.759 427 HA LYS 52 HA LYS 52 -10.693 3.824 -5.023 428 HB2 LYS 52 2HB LYS 52 -11.496 6.071 -4.843 429 HB3 LYS 52 1HB LYS 52 -10.668 6.309 -3.311 430 HG2 LYS 52 2HG LYS 52 -8.556 6.405 -4.348 431 HG3 LYS 52 1HG LYS 52 -9.190 5.770 -5.868 432 HD2 LYS 52 2HD LYS 52 -10.197 8.356 -4.728 433 HD3 LYS 52 1HD LYS 52 -8.720 8.299 -5.692 434 HE2 LYS 52 2HE LYS 52 -11.436 7.331 -6.575 435 HE3 LYS 52 1HE LYS 52 -10.685 8.853 -7.053 436 HZ1 LYS 52 1HZ LYS 52 -10.013 7.614 -8.790 437 HZ2 LYS 52 2HZ LYS 52 -10.131 6.148 -7.956 438 HZ3 LYS 52 3HZ LYS 52 -8.777 7.138 -7.735 439 H VAL 53 H VAL 53 -9.543 4.918 -1.825 440 HA VAL 53 HA VAL 53 -6.825 4.409 -2.294 441 HB VAL 53 HB VAL 53 -8.220 4.313 0.385 442 HG11 VAL 53 1HG1 VAL 53 -5.402 4.350 -0.494 443 HG12 VAL 53 2HG1 VAL 53 -6.132 3.675 0.964 444 HG13 VAL 53 3HG1 VAL 53 -5.812 5.406 0.859 445 HG21 VAL 53 1HG2 VAL 53 -8.326 6.417 -1.340 446 HG22 VAL 53 2HG2 VAL 53 -6.872 6.792 -0.415 447 HG23 VAL 53 3HG2 VAL 53 -8.408 6.551 0.417 448 H GLU 54 H GLU 54 -9.434 2.312 -1.305 449 HA GLU 54 HA GLU 54 -7.909 0.190 -0.258 450 HB2 GLU 54 2HB GLU 54 -10.531 0.669 -0.362 451 HB3 GLU 54 1HB GLU 54 -10.417 -0.411 -1.745 452 HG2 GLU 54 2HG GLU 54 -9.454 -2.141 -0.353 453 HG3 GLU 54 1HG GLU 54 -9.468 -1.058 1.037 454 H GLU 55 H GLU 55 -8.738 1.117 -3.520 455 HA GLU 55 HA GLU 55 -7.842 -1.343 -4.711 456 HB2 GLU 55 2HB GLU 55 -9.596 0.046 -5.753 457 HB3 GLU 55 1HB GLU 55 -8.425 1.337 -5.986 458 HG2 GLU 55 2HG GLU 55 -7.084 -0.389 -7.326 459 HG3 GLU 55 1HG GLU 55 -8.578 -1.326 -7.344 460 H GLU 56 H GLU 56 -6.444 1.720 -3.867 461 HA GLU 56 HA GLU 56 -4.169 1.597 -5.555 462 HB2 GLU 56 2HB GLU 56 -4.935 3.171 -3.132 463 HB3 GLU 56 1HB GLU 56 -3.264 3.201 -3.675 464 HG2 GLU 56 2HG GLU 56 -3.758 4.339 -5.591 465 HG3 GLU 56 1HG GLU 56 -5.407 3.720 -5.666 466 H VAL 57 H VAL 57 -4.932 0.221 -2.447 467 HA VAL 57 HA VAL 57 -2.187 -0.447 -1.827 468 HB VAL 57 HB VAL 57 -4.629 -1.562 -0.459 469 HG11 VAL 57 1HG1 VAL 57 -3.000 -1.458 1.503 470 HG12 VAL 57 2HG1 VAL 57 -1.745 -1.201 0.291 471 HG13 VAL 57 3HG1 VAL 57 -2.703 -2.681 0.267 472 HG21 VAL 57 1HG2 VAL 57 -3.879 1.180 -0.635 473 HG22 VAL 57 2HG2 VAL 57 -3.578 0.622 1.010 474 HG23 VAL 57 3HG2 VAL 57 -5.184 0.450 0.300 475 H LYS 58 H LYS 58 -4.892 -1.915 -3.400 476 HA LYS 58 HA LYS 58 -3.983 -4.617 -3.186 477 HB2 LYS 58 2HB LYS 58 -6.219 -3.175 -4.406 478 HB3 LYS 58 1HB LYS 58 -5.680 -4.559 -5.351 479 HG2 LYS 58 2HG LYS 58 -6.403 -6.059 -3.827 480 HG3 LYS 58 1HG LYS 58 -6.032 -5.011 -2.456 481 HD2 LYS 58 2HD LYS 58 -8.002 -3.654 -2.953 482 HD3 LYS 58 1HD LYS 58 -8.367 -4.681 -4.341 483 HE2 LYS 58 2HE LYS 58 -8.992 -6.472 -3.016 484 HE3 LYS 58 1HE LYS 58 -8.076 -5.893 -1.624 485 HZ1 LYS 58 1HZ LYS 58 -10.139 -5.318 -0.949 486 HZ2 LYS 58 2HZ LYS 58 -10.755 -5.171 -2.517 487 HZ3 LYS 58 3HZ LYS 58 -9.817 -3.928 -1.857 488 H LYS 59 H LYS 59 -3.437 -1.988 -5.407 489 HA LYS 59 HA LYS 59 -2.420 -3.613 -7.532 490 HB2 LYS 59 2HB LYS 59 -3.419 -1.387 -7.918 491 HB3 LYS 59 1HB LYS 59 -2.077 -0.650 -7.054 492 HG2 LYS 59 2HG LYS 59 -1.261 -2.410 -9.241 493 HG3 LYS 59 1HG LYS 59 -2.206 -1.010 -9.749 494 HD2 LYS 59 2HD LYS 59 -0.059 -0.495 -7.785 495 HD3 LYS 59 1HD LYS 59 0.462 -0.956 -9.407 496 HE2 LYS 59 2HE LYS 59 -1.549 0.898 -9.847 497 HE3 LYS 59 1HE LYS 59 -0.675 1.540 -8.456 498 HZ1 LYS 59 1HZ LYS 59 1.327 1.580 -9.668 499 HZ2 LYS 59 2HZ LYS 59 0.162 2.241 -10.702 500 HZ3 LYS 59 3HZ LYS 59 0.691 0.650 -10.930 501 H LEU 60 H LEU 60 -0.977 -1.797 -4.863 502 HA LEU 60 HA LEU 60 1.704 -2.232 -5.788 503 HB2 LEU 60 2HB LEU 60 0.937 -0.311 -4.328 504 HB3 LEU 60 1HB LEU 60 0.879 -1.453 -2.998 505 HG LEU 60 HG LEU 60 3.420 -1.461 -4.455 506 HD11 LEU 60 1HD1 LEU 60 2.271 1.057 -3.569 507 HD12 LEU 60 2HD1 LEU 60 3.672 0.740 -4.592 508 HD13 LEU 60 3HD1 LEU 60 3.836 0.705 -2.836 509 HD21 LEU 60 1HD2 LEU 60 2.925 -2.670 -2.341 510 HD22 LEU 60 2HD2 LEU 60 2.796 -1.107 -1.534 511 HD23 LEU 60 3HD2 LEU 60 4.329 -1.607 -2.251 512 H GLU 61 H GLU 61 -0.533 -3.977 -3.796 513 HA GLU 61 HA GLU 61 1.356 -5.567 -2.401 514 HB2 GLU 61 2HB GLU 61 -1.341 -5.199 -2.233 515 HB3 GLU 61 1HB GLU 61 -1.260 -6.783 -2.987 516 HG2 GLU 61 2HG GLU 61 0.437 -7.293 -1.078 517 HG3 GLU 61 1HG GLU 61 -0.337 -5.917 -0.294 518 H GLU 62 H GLU 62 -0.724 -6.291 -5.198 519 HA GLU 62 HA GLU 62 0.421 -8.786 -5.793 520 HB2 GLU 62 2HB GLU 62 -1.739 -7.440 -6.690 521 HB3 GLU 62 1HB GLU 62 -0.645 -7.175 -8.039 522 HG2 GLU 62 2HG GLU 62 -0.357 -9.565 -8.309 523 HG3 GLU 62 1HG GLU 62 -1.382 -9.862 -6.905 524 H GLU 63 H GLU 63 1.407 -5.539 -6.499 525 HA GLU 63 HA GLU 63 3.072 -5.978 -8.701 526 HB2 GLU 63 2HB GLU 63 2.727 -3.877 -6.663 527 HB3 GLU 63 1HB GLU 63 4.325 -3.939 -7.387 528 HG2 GLU 63 2HG GLU 63 2.615 -4.142 -9.547 529 HG3 GLU 63 1HG GLU 63 1.826 -2.979 -8.483 530 H ILE 64 H ILE 64 3.810 -6.029 -5.228 531 HA ILE 64 HA ILE 64 6.556 -6.635 -5.524 532 HB ILE 64 HB ILE 64 4.834 -7.373 -3.161 533 HG12 ILE 64 2HG1 ILE 64 6.142 -4.727 -3.823 534 HG13 ILE 64 1HG1 ILE 64 4.418 -5.035 -3.682 535 HG21 ILE 64 1HG2 ILE 64 7.740 -6.588 -3.258 536 HG22 ILE 64 2HG2 ILE 64 7.171 -8.257 -3.300 537 HG23 ILE 64 3HG2 ILE 64 6.846 -7.250 -1.889 538 HD11 ILE 64 1HD1 ILE 64 5.542 -3.884 -1.733 539 HD12 ILE 64 2HD1 ILE 64 6.300 -5.438 -1.384 540 HD13 ILE 64 3HD1 ILE 64 4.543 -5.286 -1.355 541 H LYS 65 H LYS 65 3.686 -8.557 -5.678 542 HA LYS 65 HA LYS 65 4.754 -11.072 -5.010 543 HB2 LYS 65 2HB LYS 65 2.297 -10.032 -6.123 544 HB3 LYS 65 1HB LYS 65 2.770 -11.514 -6.945 545 HG2 LYS 65 2HG LYS 65 1.367 -12.152 -5.164 546 HG3 LYS 65 1HG LYS 65 3.010 -12.566 -4.672 547 HD2 LYS 65 2HD LYS 65 2.901 -10.116 -3.645 548 HD3 LYS 65 1HD LYS 65 1.175 -10.480 -3.623 549 HE2 LYS 65 2HE LYS 65 1.418 -12.200 -2.114 550 HE3 LYS 65 1HE LYS 65 3.097 -12.498 -2.564 551 HZ1 LYS 65 1HZ LYS 65 3.401 -10.114 -1.562 552 HZ2 LYS 65 2HZ LYS 65 3.371 -11.477 -0.561 553 HZ3 LYS 65 3HZ LYS 65 1.991 -10.512 -0.716 554 H LYS 66 H LYS 66 4.759 -9.228 -7.991 555 HA LYS 66 HA LYS 66 5.577 -11.307 -9.720 556 HB2 LYS 66 2HB LYS 66 6.098 -8.338 -9.962 557 HB3 LYS 66 1HB LYS 66 6.218 -9.515 -11.262 558 HG2 LYS 66 2HG LYS 66 3.631 -9.446 -9.870 559 HG3 LYS 66 1HG LYS 66 4.045 -7.993 -10.781 560 HD2 LYS 66 2HD LYS 66 3.833 -9.028 -12.770 561 HD3 LYS 66 1HD LYS 66 4.567 -10.522 -12.183 562 HE2 LYS 66 2HE LYS 66 1.961 -9.991 -10.995 563 HE3 LYS 66 1HE LYS 66 1.897 -10.132 -12.751 564 HZ1 LYS 66 1HZ LYS 66 3.469 -12.149 -11.374 565 HZ2 LYS 66 2HZ LYS 66 2.409 -12.308 -12.682 566 HZ3 LYS 66 3HZ LYS 66 1.799 -12.216 -11.108 567 H LEU 67 H LEU 67 7.540 -8.583 -8.513 568 HA LEU 67 HA LEU 67 10.013 -9.612 -9.230 569 HB2 LEU 67 2HB LEU 67 10.897 -8.064 -7.467 570 HB3 LEU 67 1HB LEU 67 9.854 -7.323 -8.660 571 HG LEU 67 HG LEU 67 7.974 -7.631 -6.926 572 HD11 LEU 67 1HD1 LEU 67 10.416 -8.124 -5.251 573 HD12 LEU 67 2HD1 LEU 67 8.947 -9.094 -5.365 574 HD13 LEU 67 3HD1 LEU 67 8.906 -7.520 -4.573 575 HD21 LEU 67 1HD2 LEU 67 8.900 -5.586 -5.631 576 HD22 LEU 67 2HD2 LEU 67 8.577 -5.441 -7.358 577 HD23 LEU 67 3HD2 LEU 67 10.228 -5.675 -6.788 578 H6 HTS 101 H6 HTS 68 7.975 3.152 3.788 579 H3 HTS 101 H3 HTS 68 7.811 -0.780 0.819 580 H4 HTS 101 H4 HTS 68 9.965 0.327 1.280 581 H5 HTS 101 H5 HTS 68 10.046 2.287 2.770 582 HO1 HTS 101 HO1 HTS 68 5.105 2.687 2.809 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -18.194 -1.851 12.534 2 H2 GLY 1 2H GLY 1 -17.264 -3.217 12.896 3 H3 GLY 1 3H GLY 1 -18.887 -3.393 12.451 4 HA2 GLY 1 1HA GLY 1 -17.710 -3.978 10.539 5 HA3 GLY 1 2HA GLY 1 -18.278 -2.338 10.259 6 H SER 2 H SER 2 -15.481 -4.103 11.574 7 HA SER 2 HA SER 2 -13.678 -1.933 11.256 8 HB2 SER 2 2HB SER 2 -13.006 -4.879 11.433 9 HB3 SER 2 1HB SER 2 -11.937 -3.524 11.798 10 HG SER 2 HG SER 2 -13.689 -4.758 13.402 11 H ARG 3 H ARG 3 -13.470 -1.097 9.255 12 HA ARG 3 HA ARG 3 -12.642 -2.941 7.111 13 HB2 ARG 3 2HB ARG 3 -14.956 -1.848 6.887 14 HB3 ARG 3 1HB ARG 3 -14.084 -0.346 6.611 15 HG2 ARG 3 2HG ARG 3 -13.177 -1.099 4.601 16 HG3 ARG 3 1HG ARG 3 -13.510 -2.790 4.978 17 HD2 ARG 3 2HD ARG 3 -15.470 -2.658 3.943 18 HD3 ARG 3 1HD ARG 3 -15.968 -1.347 5.011 19 HE ARG 3 HE ARG 3 -14.255 -0.488 2.874 20 HH11 ARG 3 1HH1 ARG 3 -17.553 -1.188 3.777 21 HH12 ARG 3 2HH1 ARG 3 -18.236 -0.162 2.561 22 HH21 ARG 3 1HH2 ARG 3 -15.152 0.863 1.275 23 HH22 ARG 3 2HH2 ARG 3 -16.872 1.003 1.140 24 H VAL 4 H VAL 4 -12.413 0.358 8.386 25 HA VAL 4 HA VAL 4 -10.245 1.098 6.672 26 HB VAL 4 HB VAL 4 -11.049 2.425 9.263 27 HG11 VAL 4 1HG1 VAL 4 -9.162 3.551 8.737 28 HG12 VAL 4 2HG1 VAL 4 -10.241 4.405 7.635 29 HG13 VAL 4 3HG1 VAL 4 -9.230 3.090 7.037 30 HG21 VAL 4 1HG2 VAL 4 -12.414 3.925 7.793 31 HG22 VAL 4 2HG2 VAL 4 -13.032 2.280 7.943 32 HG23 VAL 4 3HG2 VAL 4 -12.166 2.767 6.486 33 H LYS 5 H LYS 5 -10.529 -0.089 9.985 34 HA LYS 5 HA LYS 5 -7.902 0.315 10.832 35 HB2 LYS 5 2HB LYS 5 -10.136 -0.739 11.963 36 HB3 LYS 5 1HB LYS 5 -9.178 -2.194 11.724 37 HG2 LYS 5 2HG LYS 5 -7.700 0.045 12.896 38 HG3 LYS 5 1HG LYS 5 -9.026 -0.563 13.888 39 HD2 LYS 5 2HD LYS 5 -8.106 -2.850 13.640 40 HD3 LYS 5 1HD LYS 5 -6.740 -2.172 12.752 41 HE2 LYS 5 2HE LYS 5 -7.332 -0.968 15.385 42 HE3 LYS 5 1HE LYS 5 -6.710 -2.618 15.398 43 HZ1 LYS 5 1HZ LYS 5 -4.956 -0.918 15.525 44 HZ2 LYS 5 2HZ LYS 5 -5.411 -0.344 14.000 45 HZ3 LYS 5 3HZ LYS 5 -4.796 -1.910 14.164 46 H ALA 6 H ALA 6 -9.259 -2.066 8.700 47 HA ALA 6 HA ALA 6 -6.997 -3.838 8.777 48 HB1 ALA 6 1HB ALA 6 -9.551 -3.707 7.261 49 HB2 ALA 6 2HB ALA 6 -8.865 -5.025 8.211 50 HB3 ALA 6 3HB ALA 6 -8.234 -4.676 6.601 51 H LEU 7 H LEU 7 -7.920 -1.025 6.987 52 HA LEU 7 HA LEU 7 -6.242 -1.443 4.726 53 HB2 LEU 7 2HB LEU 7 -8.217 0.368 5.471 54 HB3 LEU 7 1HB LEU 7 -6.765 1.346 5.364 55 HG LEU 7 HG LEU 7 -7.850 -0.407 3.160 56 HD11 LEU 7 1HD1 LEU 7 -8.200 1.865 2.072 57 HD12 LEU 7 2HD1 LEU 7 -8.021 2.542 3.690 58 HD13 LEU 7 3HD1 LEU 7 -9.326 1.406 3.349 59 HD21 LEU 7 1HD2 LEU 7 -5.709 -0.322 2.485 60 HD22 LEU 7 2HD2 LEU 7 -5.318 1.024 3.554 61 HD23 LEU 7 3HD2 LEU 7 -6.111 1.327 2.008 62 H GLU 8 H GLU 8 -5.781 0.060 7.868 63 HA GLU 8 HA GLU 8 -3.229 1.201 7.144 64 HB2 GLU 8 2HB GLU 8 -4.484 0.928 9.879 65 HB3 GLU 8 1HB GLU 8 -3.129 1.962 9.447 66 HG2 GLU 8 2HG GLU 8 -4.480 3.420 8.223 67 HG3 GLU 8 1HG GLU 8 -5.804 2.261 8.135 68 H GLU 9 H GLU 9 -4.405 -1.656 8.786 69 HA GLU 9 HA GLU 9 -1.850 -2.432 9.822 70 HB2 GLU 9 2HB GLU 9 -2.930 -4.441 10.549 71 HB3 GLU 9 1HB GLU 9 -4.041 -3.107 10.826 72 HG2 GLU 9 2HG GLU 9 -5.435 -4.691 9.944 73 HG3 GLU 9 1HG GLU 9 -4.997 -3.772 8.506 74 H LYS 10 H LYS 10 -3.410 -2.702 6.795 75 HA LYS 10 HA LYS 10 -2.012 -5.048 5.897 76 HB2 LYS 10 2HB LYS 10 -4.179 -3.403 4.990 77 HB3 LYS 10 1HB LYS 10 -3.017 -3.598 3.687 78 HG2 LYS 10 2HG LYS 10 -3.255 -5.928 3.668 79 HG3 LYS 10 1HG LYS 10 -4.043 -5.944 5.248 80 HD2 LYS 10 2HD LYS 10 -5.794 -4.416 3.963 81 HD3 LYS 10 1HD LYS 10 -5.152 -5.290 2.570 82 HE2 LYS 10 2HE LYS 10 -6.839 -6.707 3.165 83 HE3 LYS 10 1HE LYS 10 -5.535 -7.373 4.147 84 HZ1 LYS 10 1HZ LYS 10 -7.928 -5.947 4.965 85 HZ2 LYS 10 2HZ LYS 10 -6.518 -5.548 5.808 86 HZ3 LYS 10 3HZ LYS 10 -7.053 -7.152 5.771 87 H VAL 11 H VAL 11 -1.796 -1.563 5.215 88 HA VAL 11 HA VAL 11 0.388 -1.842 3.412 89 HB VAL 11 HB VAL 11 -0.411 0.673 4.871 90 HG11 VAL 11 1HG1 VAL 11 1.724 0.212 3.218 91 HG12 VAL 11 2HG1 VAL 11 0.984 1.785 3.517 92 HG13 VAL 11 3HG1 VAL 11 0.511 0.841 2.103 93 HG21 VAL 11 1HG2 VAL 11 -1.444 0.482 2.192 94 HG22 VAL 11 2HG2 VAL 11 -2.298 0.798 3.702 95 HG23 VAL 11 3HG2 VAL 11 -2.023 -0.862 3.175 96 H LYS 12 H LYS 12 0.184 -1.385 6.848 97 HA LYS 12 HA LYS 12 2.791 -0.418 7.300 98 HB2 LYS 12 2HB LYS 12 2.485 -1.282 9.617 99 HB3 LYS 12 1HB LYS 12 1.151 -0.281 9.059 100 HG2 LYS 12 2HG LYS 12 -0.262 -2.133 8.782 101 HG3 LYS 12 1HG LYS 12 1.077 -3.276 8.894 102 HD2 LYS 12 2HD LYS 12 -0.226 -3.268 10.954 103 HD3 LYS 12 1HD LYS 12 1.403 -2.654 11.243 104 HE2 LYS 12 2HE LYS 12 0.622 -0.399 11.293 105 HE3 LYS 12 1HE LYS 12 -0.979 -0.883 10.738 106 HZ1 LYS 12 1HZ LYS 12 -0.759 -0.421 13.179 107 HZ2 LYS 12 2HZ LYS 12 0.181 -1.822 13.298 108 HZ3 LYS 12 3HZ LYS 12 -1.429 -1.925 12.788 109 H ALA 13 H ALA 13 1.487 -3.640 6.880 110 HA ALA 13 HA ALA 13 3.997 -4.943 7.512 111 HB1 ALA 13 1HB ALA 13 1.256 -5.805 6.822 112 HB2 ALA 13 2HB ALA 13 2.378 -6.446 8.022 113 HB3 ALA 13 3HB ALA 13 2.559 -6.884 6.323 114 H LEU 14 H LEU 14 2.375 -3.612 4.820 115 HA LEU 14 HA LEU 14 3.633 -4.993 2.707 116 HB2 LEU 14 2HB LEU 14 1.533 -3.445 2.813 117 HB3 LEU 14 1HB LEU 14 2.682 -2.157 2.518 118 HG LEU 14 HG LEU 14 2.655 -4.521 0.688 119 HD11 LEU 14 1HD1 LEU 14 0.287 -3.451 1.194 120 HD12 LEU 14 2HD1 LEU 14 0.767 -3.925 -0.437 121 HD13 LEU 14 3HD1 LEU 14 0.871 -2.235 0.059 122 HD21 LEU 14 1HD2 LEU 14 2.889 -1.685 -0.164 123 HD22 LEU 14 2HD2 LEU 14 3.687 -3.128 -0.793 124 HD23 LEU 14 3HD2 LEU 14 4.236 -2.403 0.719 125 H GLU 15 H GLU 15 4.620 -2.395 4.774 126 HA GLU 15 HA GLU 15 6.679 -1.384 3.062 127 HB2 GLU 15 2HB GLU 15 5.712 0.137 4.624 128 HB3 GLU 15 1HB GLU 15 6.004 -0.952 5.971 129 HG2 GLU 15 2HG GLU 15 8.439 -0.628 5.639 130 HG3 GLU 15 1HG GLU 15 8.071 0.558 4.386 131 H GLU 16 H GLU 16 6.639 -3.393 5.998 132 HA GLU 16 HA GLU 16 9.355 -3.760 6.330 133 HB2 GLU 16 2HB GLU 16 7.256 -5.889 6.759 134 HB3 GLU 16 1HB GLU 16 8.819 -5.770 7.556 135 HG2 GLU 16 2HG GLU 16 7.463 -3.337 8.010 136 HG3 GLU 16 1HG GLU 16 6.322 -4.644 8.324 137 H LYS 17 H LYS 17 7.264 -5.079 3.901 138 HA LYS 17 HA LYS 17 9.004 -7.212 3.115 139 HB2 LYS 17 2HB LYS 17 6.377 -6.628 2.657 140 HB3 LYS 17 1HB LYS 17 7.101 -6.197 1.114 141 HG2 LYS 17 2HG LYS 17 7.984 -8.403 0.839 142 HG3 LYS 17 1HG LYS 17 7.488 -8.854 2.471 143 HD2 LYS 17 2HD LYS 17 5.528 -7.964 0.370 144 HD3 LYS 17 1HD LYS 17 6.004 -9.651 0.570 145 HE2 LYS 17 2HE LYS 17 4.952 -8.009 2.854 146 HE3 LYS 17 1HE LYS 17 3.879 -8.877 1.757 147 HZ1 LYS 17 1HZ LYS 17 4.669 -10.916 2.466 148 HZ2 LYS 17 2HZ LYS 17 4.634 -10.025 3.904 149 HZ3 LYS 17 3HZ LYS 17 6.101 -10.275 3.100 150 H VAL 18 H VAL 18 8.298 -3.968 1.845 151 HA VAL 18 HA VAL 18 10.156 -4.213 -0.320 152 HB VAL 18 HB VAL 18 9.220 -1.564 0.699 153 HG11 VAL 18 1HG1 VAL 18 9.315 -0.921 -1.592 154 HG12 VAL 18 2HG1 VAL 18 9.513 -2.595 -2.113 155 HG13 VAL 18 3HG1 VAL 18 10.806 -1.789 -1.222 156 HG21 VAL 18 1HG2 VAL 18 7.122 -2.446 0.710 157 HG22 VAL 18 2HG2 VAL 18 7.542 -3.740 -0.412 158 HG23 VAL 18 3HG2 VAL 18 7.252 -2.109 -1.016 159 H LYS 19 H LYS 19 10.167 -2.359 2.724 160 HA LYS 19 HA LYS 19 12.632 -1.145 2.483 161 HB2 LYS 19 2HB LYS 19 11.113 -2.123 4.886 162 HB3 LYS 19 1HB LYS 19 12.670 -1.323 5.055 163 HG2 LYS 19 2HG LYS 19 11.263 0.359 3.382 164 HG3 LYS 19 1HG LYS 19 10.046 -0.204 4.529 165 HD2 LYS 19 2HD LYS 19 11.702 0.383 6.358 166 HD3 LYS 19 1HD LYS 19 12.637 1.212 5.111 167 HE2 LYS 19 2HE LYS 19 11.131 2.898 4.908 168 HE3 LYS 19 1HE LYS 19 9.754 1.855 5.263 169 HZ1 LYS 19 1HZ LYS 19 10.774 1.826 7.625 170 HZ2 LYS 19 2HZ LYS 19 9.868 3.166 7.129 171 HZ3 LYS 19 3HZ LYS 19 11.558 3.241 7.127 172 H ALA 20 H ALA 20 11.896 -4.461 3.274 173 HA ALA 20 HA ALA 20 14.667 -5.032 3.983 174 HB1 ALA 20 1HB ALA 20 13.917 -6.903 5.002 175 HB2 ALA 20 2HB ALA 20 12.734 -7.248 3.740 176 HB3 ALA 20 3HB ALA 20 12.382 -6.037 4.972 177 H LEU 21 H LEU 21 12.758 -4.936 1.210 178 HA LEU 21 HA LEU 21 13.859 -7.136 -0.219 179 HB2 LEU 21 2HB LEU 21 11.761 -5.398 -0.577 180 HB3 LEU 21 1HB LEU 21 12.895 -4.873 -1.807 181 HG LEU 21 HG LEU 21 11.811 -7.673 -1.497 182 HD11 LEU 21 1HD1 LEU 21 11.285 -5.909 -3.837 183 HD12 LEU 21 2HD1 LEU 21 10.341 -5.689 -2.364 184 HD13 LEU 21 3HD1 LEU 21 10.332 -7.245 -3.193 185 HD21 LEU 21 1HD2 LEU 21 13.759 -8.146 -2.545 186 HD22 LEU 21 2HD2 LEU 21 13.968 -6.498 -3.137 187 HD23 LEU 21 3HD2 LEU 21 12.864 -7.598 -3.962 188 H GLY 22 H GLY 22 14.211 -3.661 -0.947 189 HA2 GLY 22 2HA GLY 22 16.711 -2.989 -0.795 190 HA3 GLY 22 1HA GLY 22 16.888 -4.247 -2.010 191 H GLY 23 H GLY 23 16.495 -3.776 -4.110 192 HA2 GLY 23 2HA GLY 23 14.786 -2.038 -5.277 193 HA3 GLY 23 1HA GLY 23 16.105 -0.989 -4.778 194 H GLY 24 H GLY 24 14.919 -2.580 -7.350 195 HA2 GLY 24 2HA GLY 24 17.389 -2.356 -8.798 196 HA3 GLY 24 1HA GLY 24 16.900 -4.026 -8.554 197 H GLY 25 H GLY 25 14.553 -1.463 -8.954 198 HA2 GLY 25 2HA GLY 25 13.953 -0.940 -11.390 199 HA3 GLY 25 1HA GLY 25 13.806 -2.685 -11.533 200 H ARG 26 H ARG 26 11.928 -3.644 -10.983 201 HA ARG 26 HA ARG 26 9.570 -2.229 -10.816 202 HB2 ARG 26 2HB ARG 26 8.483 -4.278 -10.316 203 HB3 ARG 26 1HB ARG 26 9.863 -4.689 -11.324 204 HG2 ARG 26 2HG ARG 26 9.824 -4.905 -8.322 205 HG3 ARG 26 1HG ARG 26 9.509 -6.242 -9.429 206 HD2 ARG 26 2HD ARG 26 11.798 -5.607 -10.454 207 HD3 ARG 26 1HD ARG 26 12.055 -4.747 -8.939 208 HE ARG 26 HE ARG 26 11.723 -6.907 -7.807 209 HH11 ARG 26 1HH1 ARG 26 12.588 -6.933 -11.198 210 HH12 ARG 26 2HH1 ARG 26 13.273 -8.520 -11.131 211 HH21 ARG 26 1HH2 ARG 26 12.625 -8.988 -7.732 212 HH22 ARG 26 2HH2 ARG 26 13.295 -9.685 -9.169 213 H ILE 27 H ILE 27 11.788 -3.054 -8.275 214 HA ILE 27 HA ILE 27 10.068 -2.742 -6.070 215 HB ILE 27 HB ILE 27 13.039 -2.215 -6.162 216 HG12 ILE 27 2HG1 ILE 27 11.601 -4.777 -5.447 217 HG13 ILE 27 1HG1 ILE 27 12.342 -4.472 -7.013 218 HG21 ILE 27 1HG2 ILE 27 11.054 -2.511 -3.960 219 HG22 ILE 27 2HG2 ILE 27 12.410 -1.393 -4.114 220 HG23 ILE 27 3HG2 ILE 27 12.703 -3.086 -3.713 221 HD11 ILE 27 1HD1 ILE 27 13.973 -5.670 -5.936 222 HD12 ILE 27 2HD1 ILE 27 13.628 -4.938 -4.369 223 HD13 ILE 27 3HD1 ILE 27 14.477 -4.013 -5.607 224 H GLU 28 H GLU 28 11.780 -0.455 -8.069 225 HA GLU 28 HA GLU 28 11.773 1.772 -6.382 226 HB2 GLU 28 2HB GLU 28 11.486 1.749 -9.391 227 HB3 GLU 28 1HB GLU 28 12.016 3.107 -8.410 228 HG2 GLU 28 2HG GLU 28 13.886 1.501 -7.629 229 HG3 GLU 28 1HG GLU 28 13.458 0.578 -9.068 230 H GLU 29 H GLU 29 9.421 0.945 -8.941 231 HA GLU 29 HA GLU 29 7.636 3.029 -8.454 232 HB2 GLU 29 2HB GLU 29 7.517 1.662 -10.463 233 HB3 GLU 29 1HB GLU 29 7.087 0.250 -9.509 234 HG2 GLU 29 2HG GLU 29 4.932 0.845 -9.359 235 HG3 GLU 29 1HG GLU 29 5.312 2.553 -9.149 236 H LEU 30 H LEU 30 7.909 -0.130 -6.936 237 HA LEU 30 HA LEU 30 5.469 -0.050 -5.513 238 HB2 LEU 30 2HB LEU 30 8.031 -1.570 -5.079 239 HB3 LEU 30 1HB LEU 30 6.630 -1.771 -4.044 240 HG LEU 30 HG LEU 30 6.217 -2.104 -6.968 241 HD11 LEU 30 1HD1 LEU 30 8.044 -3.749 -5.350 242 HD12 LEU 30 2HD1 LEU 30 7.954 -3.531 -7.098 243 HD13 LEU 30 3HD1 LEU 30 6.842 -4.636 -6.289 244 HD21 LEU 30 1HD2 LEU 30 4.912 -2.785 -4.471 245 HD22 LEU 30 2HD2 LEU 30 5.058 -4.178 -5.544 246 HD23 LEU 30 3HD2 LEU 30 4.256 -2.712 -6.107 247 H LYS 31 H LYS 31 8.507 1.490 -4.981 248 HA LYS 31 HA LYS 31 8.190 1.852 -2.151 249 HB2 LYS 31 2HB LYS 31 10.405 1.758 -3.179 250 HB3 LYS 31 1HB LYS 31 10.047 3.205 -4.112 251 HG2 LYS 31 2HG LYS 31 10.475 4.575 -2.391 252 HG3 LYS 31 1HG LYS 31 9.713 3.503 -1.214 253 HD2 LYS 31 2HD LYS 31 11.655 2.478 -0.704 254 HD3 LYS 31 1HD LYS 31 12.216 2.492 -2.378 255 HE2 LYS 31 2HE LYS 31 12.625 4.971 -2.080 256 HE3 LYS 31 1HE LYS 31 12.351 4.718 -0.356 257 HZ1 LYS 31 1HZ LYS 31 14.560 3.749 -2.042 258 HZ2 LYS 31 2HZ LYS 31 14.142 2.897 -0.642 259 HZ3 LYS 31 3HZ LYS 31 14.621 4.515 -0.533 260 H LYS 32 H LYS 32 8.189 4.198 -4.852 261 HA LYS 32 HA LYS 32 7.448 6.436 -3.439 262 HB2 LYS 32 2HB LYS 32 8.164 6.463 -5.788 263 HB3 LYS 32 1HB LYS 32 6.640 5.724 -6.261 264 HG2 LYS 32 2HG LYS 32 5.436 7.693 -5.446 265 HG3 LYS 32 1HG LYS 32 6.971 8.435 -4.992 266 HD2 LYS 32 2HD LYS 32 6.301 7.558 -7.797 267 HD3 LYS 32 1HD LYS 32 6.037 9.196 -7.193 268 HE2 LYS 32 2HE LYS 32 8.616 8.800 -6.474 269 HE3 LYS 32 1HE LYS 32 8.534 7.826 -7.941 270 HZ1 LYS 32 1HZ LYS 32 9.140 10.313 -8.103 271 HZ2 LYS 32 2HZ LYS 32 7.476 10.572 -7.942 272 HZ3 LYS 32 3HZ LYS 32 8.067 9.655 -9.234 273 H LYS 33 H LYS 33 5.205 4.371 -5.280 274 HA LYS 33 HA LYS 33 2.861 5.616 -4.402 275 HB2 LYS 33 2HB LYS 33 3.545 3.432 -6.057 276 HB3 LYS 33 1HB LYS 33 2.383 2.828 -4.885 277 HG2 LYS 33 2HG LYS 33 1.729 5.405 -6.160 278 HG3 LYS 33 1HG LYS 33 1.683 3.976 -7.194 279 HD2 LYS 33 2HD LYS 33 0.214 4.309 -4.578 280 HD3 LYS 33 1HD LYS 33 -0.504 4.434 -6.186 281 HE2 LYS 33 2HE LYS 33 0.724 2.012 -6.332 282 HE3 LYS 33 1HE LYS 33 0.257 2.061 -4.632 283 HZ1 LYS 33 1HZ LYS 33 -1.991 2.890 -5.762 284 HZ2 LYS 33 2HZ LYS 33 -1.659 1.258 -5.468 285 HZ3 LYS 33 3HZ LYS 33 -1.409 1.907 -7.010 286 H CYS 34 H CYS 34 4.892 3.299 -2.827 287 HA CYS 34 HA CYS 34 3.077 2.122 -1.059 288 HB2 CYS 34 2HB CYS 34 5.856 2.086 -1.499 289 HB3 CYS 34 1HB CYS 34 5.645 2.498 0.194 290 H GLU 35 H GLU 35 5.307 4.832 -0.361 291 HA GLU 35 HA GLU 35 4.207 5.340 2.185 292 HB2 GLU 35 2HB GLU 35 5.451 7.550 1.967 293 HB3 GLU 35 1HB GLU 35 6.410 6.080 1.867 294 HG2 GLU 35 2HG GLU 35 7.100 6.555 -0.185 295 HG3 GLU 35 1HG GLU 35 5.467 6.939 -0.722 296 H GLU 36 H GLU 36 3.876 7.210 -0.838 297 HA GLU 36 HA GLU 36 2.178 9.168 0.016 298 HB2 GLU 36 2HB GLU 36 3.191 8.559 -2.367 299 HB3 GLU 36 1HB GLU 36 1.572 7.926 -2.623 300 HG2 GLU 36 2HG GLU 36 1.030 9.986 -3.246 301 HG3 GLU 36 1HG GLU 36 1.088 10.394 -1.531 302 H LEU 37 H LEU 37 1.473 5.822 -0.523 303 HA LEU 37 HA LEU 37 -1.354 6.025 -0.652 304 HB2 LEU 37 2HB LEU 37 -0.374 4.085 -1.560 305 HB3 LEU 37 1HB LEU 37 0.569 3.782 -0.117 306 HG LEU 37 HG LEU 37 -1.365 3.035 1.085 307 HD11 LEU 37 1HD1 LEU 37 -3.574 3.158 0.330 308 HD12 LEU 37 2HD1 LEU 37 -3.084 3.513 -1.326 309 HD13 LEU 37 3HD1 LEU 37 -2.891 4.733 -0.068 310 HD21 LEU 37 1HD2 LEU 37 -0.244 1.690 -0.978 311 HD22 LEU 37 2HD2 LEU 37 -1.945 1.659 -1.446 312 HD23 LEU 37 3HD2 LEU 37 -1.447 1.009 0.117 313 H LYS 38 H LYS 38 0.932 5.420 1.985 314 HA LYS 38 HA LYS 38 -0.937 4.805 3.980 315 HB2 LYS 38 2HB LYS 38 1.887 5.717 3.926 316 HB3 LYS 38 1HB LYS 38 1.018 5.911 5.442 317 HG2 LYS 38 2HG LYS 38 0.410 3.330 4.647 318 HG3 LYS 38 1HG LYS 38 2.111 3.526 4.221 319 HD2 LYS 38 2HD LYS 38 1.847 4.671 6.760 320 HD3 LYS 38 1HD LYS 38 0.892 3.189 6.815 321 HE2 LYS 38 2HE LYS 38 3.102 2.626 7.487 322 HE3 LYS 38 1HE LYS 38 2.874 1.988 5.859 323 HZ1 LYS 38 1HZ LYS 38 5.013 3.047 6.045 324 HZ2 LYS 38 2HZ LYS 38 4.307 4.488 6.576 325 HZ3 LYS 38 3HZ LYS 38 4.036 3.947 4.997 326 H LYS 39 H LYS 39 0.716 7.924 3.424 327 HA LYS 39 HA LYS 39 -0.627 9.432 5.300 328 HB2 LYS 39 2HB LYS 39 0.036 11.385 4.035 329 HB3 LYS 39 1HB LYS 39 1.336 10.202 4.005 330 HG2 LYS 39 2HG LYS 39 0.326 9.471 1.756 331 HG3 LYS 39 1HG LYS 39 -0.514 11.022 1.804 332 HD2 LYS 39 2HD LYS 39 2.474 10.620 1.966 333 HD3 LYS 39 1HD LYS 39 1.582 11.177 0.549 334 HE2 LYS 39 2HE LYS 39 0.705 12.966 2.328 335 HE3 LYS 39 1HE LYS 39 2.274 12.606 3.050 336 HZ1 LYS 39 1HZ LYS 39 2.097 14.483 1.322 337 HZ2 LYS 39 2HZ LYS 39 2.069 13.237 0.179 338 HZ3 LYS 39 3HZ LYS 39 3.396 13.404 1.214 339 H LYS 40 H LYS 40 -1.737 8.310 2.202 340 HA LYS 40 HA LYS 40 -3.920 10.119 1.941 341 HB2 LYS 40 2HB LYS 40 -2.739 8.488 0.202 342 HB3 LYS 40 1HB LYS 40 -4.030 7.407 0.706 343 HG2 LYS 40 2HG LYS 40 -5.702 8.944 -0.016 344 HG3 LYS 40 1HG LYS 40 -4.497 10.199 -0.308 345 HD2 LYS 40 2HD LYS 40 -4.069 7.652 -1.730 346 HD3 LYS 40 1HD LYS 40 -5.485 8.581 -2.229 347 HE2 LYS 40 2HE LYS 40 -3.936 9.531 -3.599 348 HE3 LYS 40 1HE LYS 40 -3.724 10.565 -2.187 349 HZ1 LYS 40 1HZ LYS 40 -1.745 9.230 -3.427 350 HZ2 LYS 40 2HZ LYS 40 -2.109 8.175 -2.157 351 HZ3 LYS 40 3HZ LYS 40 -1.678 9.776 -1.827 352 H ILE 41 H ILE 41 -3.431 7.157 3.685 353 HA ILE 41 HA ILE 41 -6.203 6.522 4.019 354 HB ILE 41 HB ILE 41 -3.978 5.635 5.849 355 HG12 ILE 41 2HG1 ILE 41 -4.766 4.520 3.149 356 HG13 ILE 41 1HG1 ILE 41 -3.204 5.194 3.600 357 HG21 ILE 41 1HG2 ILE 41 -6.564 5.229 6.171 358 HG22 ILE 41 2HG2 ILE 41 -5.385 3.968 6.535 359 HG23 ILE 41 3HG2 ILE 41 -6.270 3.935 5.010 360 HD11 ILE 41 1HD1 ILE 41 -3.881 3.045 5.365 361 HD12 ILE 41 2HD1 ILE 41 -2.500 3.215 4.281 362 HD13 ILE 41 3HD1 ILE 41 -4.008 2.520 3.686 363 H GLU 42 H GLU 42 -3.852 8.463 5.730 364 HA GLU 42 HA GLU 42 -5.323 8.775 8.136 365 HB2 GLU 42 2HB GLU 42 -3.137 10.409 6.850 366 HB3 GLU 42 1HB GLU 42 -3.846 10.834 8.402 367 HG2 GLU 42 2HG GLU 42 -3.029 8.060 8.316 368 HG3 GLU 42 1HG GLU 42 -1.693 9.155 7.962 369 H GLU 43 H GLU 43 -5.313 10.420 5.048 370 HA GLU 43 HA GLU 43 -6.928 12.624 5.903 371 HB2 GLU 43 2HB GLU 43 -6.963 13.284 3.616 372 HB3 GLU 43 1HB GLU 43 -5.355 12.652 3.934 373 HG2 GLU 43 2HG GLU 43 -5.573 11.028 2.428 374 HG3 GLU 43 1HG GLU 43 -7.212 10.639 2.935 375 H LEU 44 H LEU 44 -7.501 9.436 4.689 376 HA LEU 44 HA LEU 44 -10.114 9.668 3.748 377 HB2 LEU 44 2HB LEU 44 -8.378 7.486 4.721 378 HB3 LEU 44 1HB LEU 44 -10.098 7.158 4.765 379 HG LEU 44 HG LEU 44 -8.652 8.076 2.284 380 HD11 LEU 44 1HD1 LEU 44 -9.084 5.593 1.658 381 HD12 LEU 44 2HD1 LEU 44 -9.105 5.343 3.404 382 HD13 LEU 44 3HD1 LEU 44 -7.671 6.014 2.626 383 HD21 LEU 44 1HD2 LEU 44 -11.347 6.775 2.657 384 HD22 LEU 44 2HD2 LEU 44 -10.641 7.323 1.137 385 HD23 LEU 44 3HD2 LEU 44 -11.081 8.496 2.378 386 H GLY 45 H GLY 45 -11.998 8.457 4.883 387 HA2 GLY 45 2HA GLY 45 -12.102 9.281 7.717 388 HA3 GLY 45 1HA GLY 45 -13.412 9.658 6.608 389 H GLY 46 H GLY 46 -14.635 7.880 5.699 390 HA2 GLY 46 2HA GLY 46 -14.311 5.280 6.975 391 HA3 GLY 46 1HA GLY 46 -15.782 6.155 7.369 392 H GLY 47 H GLY 47 -16.361 7.306 4.898 393 HA2 GLY 47 2HA GLY 47 -16.519 5.062 3.017 394 HA3 GLY 47 1HA GLY 47 -18.024 5.759 3.596 395 H GLY 48 H GLY 48 -16.907 5.629 0.872 396 HA2 GLY 48 2HA GLY 48 -17.644 7.355 -0.717 397 HA3 GLY 48 1HA GLY 48 -16.864 8.533 0.328 398 H GLU 49 H GLU 49 -14.478 8.264 0.604 399 HA GLU 49 HA GLU 49 -13.297 7.714 -2.010 400 HB2 GLU 49 2HB GLU 49 -12.975 9.871 -0.533 401 HB3 GLU 49 1HB GLU 49 -11.757 8.889 0.268 402 HG2 GLU 49 2HG GLU 49 -10.876 8.466 -2.127 403 HG3 GLU 49 1HG GLU 49 -11.824 9.893 -2.542 404 H VAL 50 H VAL 50 -13.398 6.456 1.202 405 HA VAL 50 HA VAL 50 -11.017 5.124 1.497 406 HB VAL 50 HB VAL 50 -12.853 5.175 3.171 407 HG11 VAL 50 1HG1 VAL 50 -14.090 2.753 2.000 408 HG12 VAL 50 2HG1 VAL 50 -14.494 4.304 1.264 409 HG13 VAL 50 3HG1 VAL 50 -14.805 4.034 2.979 410 HG21 VAL 50 1HG2 VAL 50 -12.567 2.496 3.562 411 HG22 VAL 50 2HG2 VAL 50 -11.373 3.713 4.012 412 HG23 VAL 50 3HG2 VAL 50 -11.215 2.845 2.485 413 H LYS 51 H LYS 51 -13.607 4.402 -0.700 414 HA LYS 51 HA LYS 51 -12.851 1.714 -1.262 415 HB2 LYS 51 2HB LYS 51 -14.978 3.422 -1.938 416 HB3 LYS 51 1HB LYS 51 -14.226 2.976 -3.463 417 HG2 LYS 51 2HG LYS 51 -14.339 0.560 -2.385 418 HG3 LYS 51 1HG LYS 51 -15.670 1.300 -1.494 419 HD2 LYS 51 2HD LYS 51 -16.585 2.057 -3.717 420 HD3 LYS 51 1HD LYS 51 -15.368 1.032 -4.478 421 HE2 LYS 51 2HE LYS 51 -17.039 -0.218 -2.382 422 HE3 LYS 51 1HE LYS 51 -17.844 0.189 -3.896 423 HZ1 LYS 51 1HZ LYS 51 -15.285 -1.257 -3.964 424 HZ2 LYS 51 2HZ LYS 51 -16.558 -1.279 -5.079 425 HZ3 LYS 51 3HZ LYS 51 -16.706 -2.106 -3.611 426 H LYS 52 H LYS 52 -11.789 4.815 -2.410 427 HA LYS 52 HA LYS 52 -10.574 3.819 -4.815 428 HB2 LYS 52 2HB LYS 52 -11.278 6.104 -4.807 429 HB3 LYS 52 1HB LYS 52 -10.370 6.446 -3.342 430 HG2 LYS 52 2HG LYS 52 -8.281 6.154 -4.540 431 HG3 LYS 52 1HG LYS 52 -9.166 5.742 -6.011 432 HD2 LYS 52 2HD LYS 52 -9.523 8.359 -4.567 433 HD3 LYS 52 1HD LYS 52 -8.322 8.125 -5.839 434 HE2 LYS 52 2HE LYS 52 -11.259 7.570 -6.201 435 HE3 LYS 52 1HE LYS 52 -10.510 9.118 -6.585 436 HZ1 LYS 52 1HZ LYS 52 -9.524 8.288 -8.416 437 HZ2 LYS 52 2HZ LYS 52 -10.777 7.154 -8.345 438 HZ3 LYS 52 3HZ LYS 52 -9.248 6.764 -7.734 439 H VAL 53 H VAL 53 -9.221 5.147 -1.787 440 HA VAL 53 HA VAL 53 -6.551 4.541 -2.308 441 HB VAL 53 HB VAL 53 -7.831 4.545 0.428 442 HG11 VAL 53 1HG1 VAL 53 -5.024 4.942 -0.565 443 HG12 VAL 53 2HG1 VAL 53 -5.617 3.779 0.620 444 HG13 VAL 53 3HG1 VAL 53 -5.547 5.493 1.026 445 HG21 VAL 53 1HG2 VAL 53 -6.571 7.027 -0.364 446 HG22 VAL 53 2HG2 VAL 53 -8.179 6.742 0.302 447 HG23 VAL 53 3HG2 VAL 53 -7.907 6.609 -1.435 448 H GLU 54 H GLU 54 -9.152 2.486 -1.278 449 HA GLU 54 HA GLU 54 -7.612 0.396 -0.154 450 HB2 GLU 54 2HB GLU 54 -10.373 0.898 -0.749 451 HB3 GLU 54 1HB GLU 54 -9.946 -0.706 -1.327 452 HG2 GLU 54 2HG GLU 54 -8.862 -0.941 1.041 453 HG3 GLU 54 1HG GLU 54 -9.972 0.366 1.449 454 H GLU 55 H GLU 55 -8.690 1.111 -3.425 455 HA GLU 55 HA GLU 55 -7.810 -1.353 -4.561 456 HB2 GLU 55 2HB GLU 55 -9.547 0.033 -5.613 457 HB3 GLU 55 1HB GLU 55 -8.369 1.310 -5.882 458 HG2 GLU 55 2HG GLU 55 -8.079 0.407 -7.889 459 HG3 GLU 55 1HG GLU 55 -7.178 -0.860 -7.058 460 H GLU 56 H GLU 56 -6.309 1.691 -3.845 461 HA GLU 56 HA GLU 56 -4.062 1.412 -5.569 462 HB2 GLU 56 2HB GLU 56 -4.772 3.177 -3.258 463 HB3 GLU 56 1HB GLU 56 -3.114 3.147 -3.840 464 HG2 GLU 56 2HG GLU 56 -4.490 3.452 -6.160 465 HG3 GLU 56 1HG GLU 56 -5.510 4.334 -5.025 466 H VAL 57 H VAL 57 -4.826 0.296 -2.358 467 HA VAL 57 HA VAL 57 -2.090 -0.371 -1.702 468 HB VAL 57 HB VAL 57 -4.578 -1.280 -0.259 469 HG11 VAL 57 1HG1 VAL 57 -2.449 -2.414 0.288 470 HG12 VAL 57 2HG1 VAL 57 -3.128 -1.519 1.647 471 HG13 VAL 57 3HG1 VAL 57 -1.768 -0.852 0.743 472 HG21 VAL 57 1HG2 VAL 57 -3.748 1.374 -0.636 473 HG22 VAL 57 2HG2 VAL 57 -3.267 0.941 1.004 474 HG23 VAL 57 3HG2 VAL 57 -4.949 0.772 0.506 475 H LYS 58 H LYS 58 -4.859 -1.925 -3.092 476 HA LYS 58 HA LYS 58 -3.960 -4.609 -2.692 477 HB2 LYS 58 2HB LYS 58 -6.238 -3.252 -3.919 478 HB3 LYS 58 1HB LYS 58 -5.741 -4.694 -4.796 479 HG2 LYS 58 2HG LYS 58 -5.857 -5.124 -1.926 480 HG3 LYS 58 1HG LYS 58 -7.403 -4.606 -2.603 481 HD2 LYS 58 2HD LYS 58 -6.036 -6.635 -4.206 482 HD3 LYS 58 1HD LYS 58 -6.456 -7.180 -2.581 483 HE2 LYS 58 2HE LYS 58 -8.383 -5.886 -4.506 484 HE3 LYS 58 1HE LYS 58 -8.218 -7.627 -4.276 485 HZ1 LYS 58 1HZ LYS 58 -9.215 -5.610 -2.359 486 HZ2 LYS 58 2HZ LYS 58 -8.690 -7.133 -1.843 487 HZ3 LYS 58 3HZ LYS 58 -9.990 -7.006 -2.918 488 H LYS 59 H LYS 59 -3.485 -2.178 -5.141 489 HA LYS 59 HA LYS 59 -2.561 -3.987 -7.160 490 HB2 LYS 59 2HB LYS 59 -3.558 -1.867 -7.790 491 HB3 LYS 59 1HB LYS 59 -2.318 -0.986 -6.910 492 HG2 LYS 59 2HG LYS 59 -1.195 -2.799 -8.880 493 HG3 LYS 59 1HG LYS 59 -2.291 -1.613 -9.592 494 HD2 LYS 59 2HD LYS 59 -0.338 -0.611 -7.603 495 HD3 LYS 59 1HD LYS 59 0.305 -1.121 -9.165 496 HE2 LYS 59 2HE LYS 59 -1.313 0.368 -10.283 497 HE3 LYS 59 1HE LYS 59 -1.877 0.910 -8.704 498 HZ1 LYS 59 1HZ LYS 59 0.686 1.397 -8.418 499 HZ2 LYS 59 2HZ LYS 59 -0.359 2.518 -9.131 500 HZ3 LYS 59 3HZ LYS 59 0.610 1.530 -10.103 501 H LEU 60 H LEU 60 -0.984 -1.918 -4.753 502 HA LEU 60 HA LEU 60 1.644 -2.491 -5.759 503 HB2 LEU 60 2HB LEU 60 0.846 -0.422 -4.423 504 HB3 LEU 60 1HB LEU 60 1.100 -1.434 -3.011 505 HG LEU 60 HG LEU 60 3.387 -1.501 -4.795 506 HD11 LEU 60 1HD1 LEU 60 2.361 1.152 -3.883 507 HD12 LEU 60 2HD1 LEU 60 3.001 0.681 -5.457 508 HD13 LEU 60 3HD1 LEU 60 4.088 0.858 -4.081 509 HD21 LEU 60 1HD2 LEU 60 2.940 -0.802 -1.905 510 HD22 LEU 60 2HD2 LEU 60 4.530 -0.834 -2.667 511 HD23 LEU 60 3HD2 LEU 60 3.569 -2.309 -2.572 512 H GLU 61 H GLU 61 -0.489 -3.966 -3.467 513 HA GLU 61 HA GLU 61 1.486 -5.379 -1.993 514 HB2 GLU 61 2HB GLU 61 -1.207 -4.950 -1.722 515 HB3 GLU 61 1HB GLU 61 -1.158 -6.634 -2.215 516 HG2 GLU 61 2HG GLU 61 0.773 -6.591 -0.315 517 HG3 GLU 61 1HG GLU 61 -0.348 -5.376 0.297 518 H GLU 62 H GLU 62 -0.767 -6.383 -4.557 519 HA GLU 62 HA GLU 62 0.303 -8.968 -4.896 520 HB2 GLU 62 2HB GLU 62 -1.905 -7.696 -5.805 521 HB3 GLU 62 1HB GLU 62 -0.907 -7.643 -7.252 522 HG2 GLU 62 2HG GLU 62 -0.619 -10.100 -7.074 523 HG3 GLU 62 1HG GLU 62 -1.751 -10.091 -5.722 524 H GLU 63 H GLU 63 1.252 -5.852 -6.070 525 HA GLU 63 HA GLU 63 2.748 -6.556 -8.320 526 HB2 GLU 63 2HB GLU 63 2.604 -4.254 -6.479 527 HB3 GLU 63 1HB GLU 63 4.122 -4.418 -7.347 528 HG2 GLU 63 2HG GLU 63 1.494 -4.511 -8.777 529 HG3 GLU 63 1HG GLU 63 2.278 -2.983 -8.381 530 H ILE 64 H ILE 64 3.922 -5.957 -5.013 531 HA ILE 64 HA ILE 64 6.563 -6.713 -5.396 532 HB ILE 64 HB ILE 64 4.990 -7.119 -2.850 533 HG12 ILE 64 2HG1 ILE 64 6.382 -4.636 -3.882 534 HG13 ILE 64 1HG1 ILE 64 4.647 -4.841 -3.682 535 HG21 ILE 64 1HG2 ILE 64 7.915 -6.827 -3.469 536 HG22 ILE 64 2HG2 ILE 64 7.096 -8.137 -2.620 537 HG23 ILE 64 3HG2 ILE 64 7.262 -6.557 -1.853 538 HD11 ILE 64 1HD1 ILE 64 6.469 -5.150 -1.340 539 HD12 ILE 64 2HD1 ILE 64 4.763 -4.706 -1.383 540 HD13 ILE 64 3HD1 ILE 64 5.989 -3.549 -1.900 541 H LYS 65 H LYS 65 3.711 -8.659 -5.057 542 HA LYS 65 HA LYS 65 4.819 -11.065 -4.170 543 HB2 LYS 65 2HB LYS 65 2.314 -10.170 -5.118 544 HB3 LYS 65 1HB LYS 65 2.745 -11.561 -6.104 545 HG2 LYS 65 2HG LYS 65 1.527 -12.429 -4.306 546 HG3 LYS 65 1HG LYS 65 3.216 -12.773 -3.925 547 HD2 LYS 65 2HD LYS 65 3.129 -10.523 -2.643 548 HD3 LYS 65 1HD LYS 65 1.379 -10.739 -2.715 549 HE2 LYS 65 2HE LYS 65 2.899 -13.103 -1.847 550 HE3 LYS 65 1HE LYS 65 2.973 -11.723 -0.752 551 HZ1 LYS 65 1HZ LYS 65 0.340 -12.421 -1.772 552 HZ2 LYS 65 2HZ LYS 65 0.802 -11.909 -0.228 553 HZ3 LYS 65 3HZ LYS 65 1.032 -13.521 -0.688 554 H LYS 66 H LYS 66 4.910 -9.524 -7.286 555 HA LYS 66 HA LYS 66 5.644 -11.829 -8.790 556 HB2 LYS 66 2HB LYS 66 6.058 -8.897 -9.396 557 HB3 LYS 66 1HB LYS 66 6.265 -10.209 -10.547 558 HG2 LYS 66 2HG LYS 66 3.656 -10.146 -9.206 559 HG3 LYS 66 1HG LYS 66 3.997 -8.763 -10.247 560 HD2 LYS 66 2HD LYS 66 4.778 -11.242 -11.512 561 HD3 LYS 66 1HD LYS 66 3.081 -11.279 -11.032 562 HE2 LYS 66 2HE LYS 66 4.387 -9.103 -12.664 563 HE3 LYS 66 1HE LYS 66 3.401 -10.411 -13.316 564 HZ1 LYS 66 1HZ LYS 66 2.422 -8.035 -12.676 565 HZ2 LYS 66 2HZ LYS 66 2.193 -8.827 -11.199 566 HZ3 LYS 66 3HZ LYS 66 1.504 -9.455 -12.609 567 H LEU 67 H LEU 67 7.438 -9.305 -7.106 568 HA LEU 67 HA LEU 67 9.972 -10.473 -7.956 569 HB2 LEU 67 2HB LEU 67 10.846 -8.493 -6.526 570 HB3 LEU 67 1HB LEU 67 10.170 -8.187 -8.112 571 HG LEU 67 HG LEU 67 8.353 -8.010 -5.761 572 HD11 LEU 67 1HD1 LEU 67 9.748 -5.516 -6.422 573 HD12 LEU 67 2HD1 LEU 67 10.724 -6.714 -5.572 574 HD13 LEU 67 3HD1 LEU 67 9.214 -6.144 -4.863 575 HD21 LEU 67 1HD2 LEU 67 7.013 -7.093 -7.273 576 HD22 LEU 67 2HD2 LEU 67 8.227 -7.435 -8.504 577 HD23 LEU 67 3HD2 LEU 67 8.225 -5.879 -7.676 578 H6 HTS 101 H6 HTS 68 7.815 3.687 3.561 579 H3 HTS 101 H3 HTS 68 7.821 -0.634 1.190 580 H4 HTS 101 H4 HTS 68 9.954 0.480 1.727 581 H5 HTS 101 H5 HTS 68 9.948 2.635 2.921 582 HO1 HTS 101 HO1 HTS 68 5.516 3.132 3.935 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -15.363 -1.075 14.079 2 H2 GLY 1 2H GLY 1 -15.833 -1.053 12.455 3 H3 GLY 1 3H GLY 1 -16.195 0.260 13.458 4 HA2 GLY 1 1HA GLY 1 -14.331 0.751 11.978 5 HA3 GLY 1 2HA GLY 1 -13.889 0.827 13.676 6 H SER 2 H SER 2 -14.285 -1.904 11.429 7 HA SER 2 HA SER 2 -11.547 -2.736 12.129 8 HB2 SER 2 2HB SER 2 -13.750 -4.181 12.609 9 HB3 SER 2 1HB SER 2 -13.450 -4.696 10.949 10 HG SER 2 HG SER 2 -12.032 -5.982 11.797 11 H ARG 3 H ARG 3 -13.805 -2.141 9.534 12 HA ARG 3 HA ARG 3 -12.396 -3.286 7.407 13 HB2 ARG 3 2HB ARG 3 -14.531 -1.274 7.717 14 HB3 ARG 3 1HB ARG 3 -13.599 -1.145 6.231 15 HG2 ARG 3 2HG ARG 3 -14.063 -3.747 6.142 16 HG3 ARG 3 1HG ARG 3 -15.441 -3.282 7.141 17 HD2 ARG 3 2HD ARG 3 -15.236 -1.432 4.993 18 HD3 ARG 3 1HD ARG 3 -15.131 -3.060 4.325 19 HE ARG 3 HE ARG 3 -17.242 -3.136 6.072 20 HH11 ARG 3 1HH1 ARG 3 -16.409 -1.257 3.252 21 HH12 ARG 3 2HH1 ARG 3 -18.054 -1.011 2.775 22 HH21 ARG 3 1HH2 ARG 3 -19.409 -2.816 5.444 23 HH22 ARG 3 2HH2 ARG 3 -19.758 -1.897 4.018 24 H VAL 4 H VAL 4 -12.530 0.188 8.215 25 HA VAL 4 HA VAL 4 -10.250 0.793 6.612 26 HB VAL 4 HB VAL 4 -11.464 2.531 8.759 27 HG11 VAL 4 1HG1 VAL 4 -9.617 2.999 6.457 28 HG12 VAL 4 2HG1 VAL 4 -9.496 3.564 8.123 29 HG13 VAL 4 3HG1 VAL 4 -10.668 4.295 7.026 30 HG21 VAL 4 1HG2 VAL 4 -13.339 2.299 7.516 31 HG22 VAL 4 2HG2 VAL 4 -12.456 1.767 6.086 32 HG23 VAL 4 3HG2 VAL 4 -12.534 3.483 6.486 33 H LYS 5 H LYS 5 -10.796 0.433 10.095 34 HA LYS 5 HA LYS 5 -8.306 1.266 11.014 35 HB2 LYS 5 2HB LYS 5 -10.272 0.763 12.449 36 HB3 LYS 5 1HB LYS 5 -10.007 -0.952 12.166 37 HG2 LYS 5 2HG LYS 5 -7.628 0.420 13.132 38 HG3 LYS 5 1HG LYS 5 -8.992 0.519 14.248 39 HD2 LYS 5 2HD LYS 5 -8.532 -2.135 13.064 40 HD3 LYS 5 1HD LYS 5 -7.252 -1.558 14.134 41 HE2 LYS 5 2HE LYS 5 -10.160 -1.521 14.903 42 HE3 LYS 5 1HE LYS 5 -9.111 -2.903 15.212 43 HZ1 LYS 5 1HZ LYS 5 -7.652 -1.424 16.489 44 HZ2 LYS 5 2HZ LYS 5 -9.210 -1.495 17.144 45 HZ3 LYS 5 3HZ LYS 5 -8.732 -0.144 16.245 46 H ALA 6 H ALA 6 -9.285 -1.751 9.555 47 HA ALA 6 HA ALA 6 -6.814 -3.100 10.208 48 HB1 ALA 6 1HB ALA 6 -8.928 -4.342 10.065 49 HB2 ALA 6 2HB ALA 6 -7.719 -4.964 8.942 50 HB3 ALA 6 3HB ALA 6 -9.033 -3.948 8.349 51 H LEU 7 H LEU 7 -8.086 -1.202 7.600 52 HA LEU 7 HA LEU 7 -6.425 -2.090 5.514 53 HB2 LEU 7 2HB LEU 7 -8.492 -0.412 5.627 54 HB3 LEU 7 1HB LEU 7 -7.203 0.776 5.655 55 HG LEU 7 HG LEU 7 -7.730 -1.263 3.495 56 HD11 LEU 7 1HD1 LEU 7 -8.984 1.078 3.851 57 HD12 LEU 7 2HD1 LEU 7 -8.632 0.398 2.262 58 HD13 LEU 7 3HD1 LEU 7 -7.574 1.631 2.949 59 HD21 LEU 7 1HD2 LEU 7 -5.448 -1.169 3.387 60 HD22 LEU 7 2HD2 LEU 7 -5.371 0.454 4.073 61 HD23 LEU 7 3HD2 LEU 7 -5.859 0.229 2.394 62 H GLU 8 H GLU 8 -5.916 0.239 8.092 63 HA GLU 8 HA GLU 8 -3.551 1.394 7.047 64 HB2 GLU 8 2HB GLU 8 -4.877 1.333 9.722 65 HB3 GLU 8 1HB GLU 8 -3.219 1.904 9.613 66 HG2 GLU 8 2HG GLU 8 -3.882 3.616 8.034 67 HG3 GLU 8 1HG GLU 8 -5.541 3.018 8.057 68 H GLU 9 H GLU 9 -4.176 -1.426 9.039 69 HA GLU 9 HA GLU 9 -1.421 -1.854 9.709 70 HB2 GLU 9 2HB GLU 9 -2.153 -3.869 10.772 71 HB3 GLU 9 1HB GLU 9 -3.343 -2.622 11.114 72 HG2 GLU 9 2HG GLU 9 -4.975 -3.679 9.993 73 HG3 GLU 9 1HG GLU 9 -3.887 -4.270 8.741 74 H LYS 10 H LYS 10 -3.398 -2.588 7.009 75 HA LYS 10 HA LYS 10 -2.026 -4.907 6.103 76 HB2 LYS 10 2HB LYS 10 -4.189 -3.197 5.185 77 HB3 LYS 10 1HB LYS 10 -3.149 -3.698 3.860 78 HG2 LYS 10 2HG LYS 10 -3.576 -6.006 5.370 79 HG3 LYS 10 1HG LYS 10 -5.142 -5.195 5.292 80 HD2 LYS 10 2HD LYS 10 -5.265 -6.368 3.346 81 HD3 LYS 10 1HD LYS 10 -4.432 -4.935 2.739 82 HE2 LYS 10 2HE LYS 10 -3.198 -6.723 1.880 83 HE3 LYS 10 1HE LYS 10 -2.270 -6.190 3.281 84 HZ1 LYS 10 1HZ LYS 10 -3.692 -8.679 2.839 85 HZ2 LYS 10 2HZ LYS 10 -3.855 -8.022 4.389 86 HZ3 LYS 10 3HZ LYS 10 -2.317 -8.366 3.775 87 H VAL 11 H VAL 11 -1.753 -1.455 5.361 88 HA VAL 11 HA VAL 11 0.326 -1.868 3.424 89 HB VAL 11 HB VAL 11 -0.452 0.732 4.745 90 HG11 VAL 11 1HG1 VAL 11 1.435 1.313 3.631 91 HG12 VAL 11 2HG1 VAL 11 0.314 1.405 2.273 92 HG13 VAL 11 3HG1 VAL 11 1.314 -0.031 2.498 93 HG21 VAL 11 1HG2 VAL 11 -2.459 0.299 3.803 94 HG22 VAL 11 2HG2 VAL 11 -1.796 -0.881 2.672 95 HG23 VAL 11 3HG2 VAL 11 -1.645 0.844 2.337 96 H LYS 12 H LYS 12 0.167 -1.204 6.816 97 HA LYS 12 HA LYS 12 2.798 -0.255 7.195 98 HB2 LYS 12 2HB LYS 12 0.593 -0.644 8.811 99 HB3 LYS 12 1HB LYS 12 1.727 -1.848 9.408 100 HG2 LYS 12 2HG LYS 12 2.864 0.824 8.976 101 HG3 LYS 12 1HG LYS 12 1.638 0.719 10.241 102 HD2 LYS 12 2HD LYS 12 3.611 0.276 11.386 103 HD3 LYS 12 1HD LYS 12 2.981 -1.336 11.048 104 HE2 LYS 12 2HE LYS 12 4.855 -1.850 9.976 105 HE3 LYS 12 1HE LYS 12 4.573 -0.534 8.838 106 HZ1 LYS 12 1HZ LYS 12 5.718 0.969 10.325 107 HZ2 LYS 12 2HZ LYS 12 6.720 -0.341 9.951 108 HZ3 LYS 12 3HZ LYS 12 5.951 -0.267 11.456 109 H ALA 13 H ALA 13 1.391 -3.453 7.004 110 HA ALA 13 HA ALA 13 3.858 -4.797 7.713 111 HB1 ALA 13 1HB ALA 13 2.172 -6.184 8.341 112 HB2 ALA 13 2HB ALA 13 2.361 -6.772 6.689 113 HB3 ALA 13 3HB ALA 13 1.086 -5.616 7.073 114 H LEU 14 H LEU 14 2.253 -3.598 4.946 115 HA LEU 14 HA LEU 14 3.448 -5.158 2.923 116 HB2 LEU 14 2HB LEU 14 1.411 -3.514 2.942 117 HB3 LEU 14 1HB LEU 14 2.613 -2.311 2.531 118 HG LEU 14 HG LEU 14 2.481 -4.802 0.893 119 HD11 LEU 14 1HD1 LEU 14 0.187 -4.322 0.914 120 HD12 LEU 14 2HD1 LEU 14 0.792 -3.555 -0.554 121 HD13 LEU 14 3HD1 LEU 14 0.461 -2.581 0.878 122 HD21 LEU 14 1HD2 LEU 14 2.767 -2.018 -0.130 123 HD22 LEU 14 2HD2 LEU 14 3.460 -3.520 -0.741 124 HD23 LEU 14 3HD2 LEU 14 4.122 -2.769 0.712 125 H GLU 15 H GLU 15 4.539 -2.467 4.809 126 HA GLU 15 HA GLU 15 6.636 -1.660 3.027 127 HB2 GLU 15 2HB GLU 15 5.716 0.010 4.468 128 HB3 GLU 15 1HB GLU 15 5.983 -0.980 5.894 129 HG2 GLU 15 2HG GLU 15 8.369 -0.709 5.688 130 HG3 GLU 15 1HG GLU 15 8.169 0.171 4.174 131 H GLU 16 H GLU 16 6.538 -3.372 6.154 132 HA GLU 16 HA GLU 16 9.221 -3.823 6.532 133 HB2 GLU 16 2HB GLU 16 8.595 -5.783 7.849 134 HB3 GLU 16 1HB GLU 16 7.504 -4.441 8.166 135 HG2 GLU 16 2HG GLU 16 5.720 -5.493 7.262 136 HG3 GLU 16 1HG GLU 16 6.689 -6.346 6.062 137 H LYS 17 H LYS 17 7.106 -5.299 4.205 138 HA LYS 17 HA LYS 17 8.835 -7.499 3.582 139 HB2 LYS 17 2HB LYS 17 6.213 -6.980 3.102 140 HB3 LYS 17 1HB LYS 17 6.909 -6.591 1.535 141 HG2 LYS 17 2HG LYS 17 7.466 -8.743 1.089 142 HG3 LYS 17 1HG LYS 17 7.741 -9.141 2.787 143 HD2 LYS 17 2HD LYS 17 5.420 -9.351 3.208 144 HD3 LYS 17 1HD LYS 17 5.000 -8.605 1.664 145 HE2 LYS 17 2HE LYS 17 5.847 -10.509 0.459 146 HE3 LYS 17 1HE LYS 17 6.451 -11.232 1.949 147 HZ1 LYS 17 1HZ LYS 17 4.182 -11.972 0.943 148 HZ2 LYS 17 2HZ LYS 17 3.592 -10.601 1.739 149 HZ3 LYS 17 3HZ LYS 17 4.361 -11.824 2.618 150 H VAL 18 H VAL 18 8.216 -4.301 2.211 151 HA VAL 18 HA VAL 18 10.017 -4.671 0.006 152 HB VAL 18 HB VAL 18 8.973 -2.058 1.046 153 HG11 VAL 18 1HG1 VAL 18 10.842 -2.283 -0.745 154 HG12 VAL 18 2HG1 VAL 18 9.516 -1.150 -1.006 155 HG13 VAL 18 3HG1 VAL 18 9.509 -2.716 -1.817 156 HG21 VAL 18 1HG2 VAL 18 7.162 -3.774 0.651 157 HG22 VAL 18 2HG2 VAL 18 7.639 -3.760 -1.046 158 HG23 VAL 18 3HG2 VAL 18 7.026 -2.289 -0.291 159 H LYS 19 H LYS 19 10.065 -2.592 2.898 160 HA LYS 19 HA LYS 19 12.619 -1.567 2.581 161 HB2 LYS 19 2HB LYS 19 10.900 -2.055 4.990 162 HB3 LYS 19 1HB LYS 19 12.534 -1.429 5.178 163 HG2 LYS 19 2HG LYS 19 11.315 0.123 3.177 164 HG3 LYS 19 1HG LYS 19 10.133 -0.046 4.476 165 HD2 LYS 19 2HD LYS 19 12.198 0.519 5.998 166 HD3 LYS 19 1HD LYS 19 12.832 1.227 4.510 167 HE2 LYS 19 2HE LYS 19 11.326 2.918 4.516 168 HE3 LYS 19 1HE LYS 19 10.045 1.917 5.200 169 HZ1 LYS 19 1HZ LYS 19 11.271 3.823 6.563 170 HZ2 LYS 19 2HZ LYS 19 12.288 2.529 6.951 171 HZ3 LYS 19 3HZ LYS 19 10.635 2.439 7.299 172 H ALA 20 H ALA 20 11.644 -4.736 3.508 173 HA ALA 20 HA ALA 20 14.240 -5.395 4.650 174 HB1 ALA 20 1HB ALA 20 12.251 -6.278 5.740 175 HB2 ALA 20 2HB ALA 20 13.252 -7.586 5.109 176 HB3 ALA 20 3HB ALA 20 11.788 -7.104 4.253 177 H LEU 21 H LEU 21 12.683 -5.459 1.613 178 HA LEU 21 HA LEU 21 14.517 -7.515 0.607 179 HB2 LEU 21 2HB LEU 21 13.064 -7.898 -1.161 180 HB3 LEU 21 1HB LEU 21 11.981 -7.578 0.179 181 HG LEU 21 HG LEU 21 11.978 -5.137 -0.737 182 HD11 LEU 21 1HD1 LEU 21 13.317 -6.665 -2.881 183 HD12 LEU 21 2HD1 LEU 21 13.456 -4.962 -2.439 184 HD13 LEU 21 3HD1 LEU 21 12.069 -5.520 -3.376 185 HD21 LEU 21 1HD2 LEU 21 10.077 -5.669 -2.145 186 HD22 LEU 21 2HD2 LEU 21 10.052 -6.659 -0.686 187 HD23 LEU 21 3HD2 LEU 21 10.578 -7.358 -2.217 188 H GLY 22 H GLY 22 15.612 -7.129 -1.446 189 HA2 GLY 22 2HA GLY 22 16.096 -4.268 -1.978 190 HA3 GLY 22 1HA GLY 22 17.441 -5.375 -1.746 191 H GLY 23 H GLY 23 17.451 -3.988 -4.021 192 HA2 GLY 23 2HA GLY 23 17.958 -5.541 -6.073 193 HA3 GLY 23 1HA GLY 23 16.204 -5.630 -6.101 194 H GLY 24 H GLY 24 15.630 -4.504 -7.865 195 HA2 GLY 24 2HA GLY 24 15.733 -1.694 -7.870 196 HA3 GLY 24 1HA GLY 24 17.001 -2.298 -8.925 197 H GLY 25 H GLY 25 14.684 -0.727 -9.657 198 HA2 GLY 25 2HA GLY 25 13.608 -0.803 -11.776 199 HA3 GLY 25 1HA GLY 25 13.612 -2.557 -11.685 200 H ARG 26 H ARG 26 11.846 -3.587 -10.937 201 HA ARG 26 HA ARG 26 9.402 -2.253 -10.745 202 HB2 ARG 26 2HB ARG 26 8.436 -4.339 -10.222 203 HB3 ARG 26 1HB ARG 26 9.821 -4.720 -11.235 204 HG2 ARG 26 2HG ARG 26 9.818 -4.870 -8.226 205 HG3 ARG 26 1HG ARG 26 9.546 -6.242 -9.302 206 HD2 ARG 26 2HD ARG 26 11.774 -5.756 -10.336 207 HD3 ARG 26 1HD ARG 26 12.034 -4.560 -9.069 208 HE ARG 26 HE ARG 26 11.487 -6.743 -7.635 209 HH11 ARG 26 1HH1 ARG 26 13.652 -6.250 -10.331 210 HH12 ARG 26 2HH1 ARG 26 14.763 -7.475 -9.820 211 HH21 ARG 26 1HH2 ARG 26 12.952 -8.352 -6.964 212 HH22 ARG 26 2HH2 ARG 26 14.367 -8.668 -7.912 213 H ILE 27 H ILE 27 11.800 -2.950 -8.334 214 HA ILE 27 HA ILE 27 10.166 -2.654 -6.047 215 HB ILE 27 HB ILE 27 13.133 -2.134 -6.249 216 HG12 ILE 27 2HG1 ILE 27 11.767 -4.720 -5.493 217 HG13 ILE 27 1HG1 ILE 27 12.357 -4.385 -7.116 218 HG21 ILE 27 1HG2 ILE 27 11.419 -1.699 -4.136 219 HG22 ILE 27 2HG2 ILE 27 13.166 -1.908 -4.029 220 HG23 ILE 27 3HG2 ILE 27 12.096 -3.289 -3.789 221 HD11 ILE 27 1HD1 ILE 27 14.325 -5.173 -6.506 222 HD12 ILE 27 2HD1 ILE 27 13.776 -5.354 -4.840 223 HD13 ILE 27 3HD1 ILE 27 14.484 -3.829 -5.376 224 H GLU 28 H GLU 28 11.805 -0.388 -8.132 225 HA GLU 28 HA GLU 28 11.845 1.842 -6.422 226 HB2 GLU 28 2HB GLU 28 12.920 1.445 -8.781 227 HB3 GLU 28 1HB GLU 28 11.420 2.147 -9.372 228 HG2 GLU 28 2HG GLU 28 12.852 3.608 -7.233 229 HG3 GLU 28 1HG GLU 28 13.574 3.600 -8.842 230 H GLU 29 H GLU 29 9.495 1.030 -8.996 231 HA GLU 29 HA GLU 29 7.717 3.124 -8.457 232 HB2 GLU 29 2HB GLU 29 7.602 1.849 -10.524 233 HB3 GLU 29 1HB GLU 29 7.180 0.392 -9.637 234 HG2 GLU 29 2HG GLU 29 5.050 0.897 -9.946 235 HG3 GLU 29 1HG GLU 29 5.273 2.286 -8.886 236 H LEU 30 H LEU 30 8.149 0.028 -6.932 237 HA LEU 30 HA LEU 30 5.655 -0.038 -5.559 238 HB2 LEU 30 2HB LEU 30 8.258 -1.501 -5.285 239 HB3 LEU 30 1HB LEU 30 7.005 -1.692 -4.074 240 HG LEU 30 HG LEU 30 6.301 -2.121 -6.943 241 HD11 LEU 30 1HD1 LEU 30 7.908 -3.665 -7.146 242 HD12 LEU 30 2HD1 LEU 30 6.891 -4.638 -6.084 243 HD13 LEU 30 3HD1 LEU 30 8.226 -3.704 -5.412 244 HD21 LEU 30 1HD2 LEU 30 4.389 -2.575 -5.898 245 HD22 LEU 30 2HD2 LEU 30 5.168 -2.628 -4.316 246 HD23 LEU 30 3HD2 LEU 30 5.161 -4.060 -5.347 247 H LYS 31 H LYS 31 8.650 1.574 -5.006 248 HA LYS 31 HA LYS 31 8.324 1.907 -2.175 249 HB2 LYS 31 2HB LYS 31 10.543 1.873 -3.169 250 HB3 LYS 31 1HB LYS 31 10.152 3.273 -4.155 251 HG2 LYS 31 2HG LYS 31 10.442 4.730 -2.454 252 HG3 LYS 31 1HG LYS 31 9.851 3.596 -1.237 253 HD2 LYS 31 2HD LYS 31 11.921 2.905 -0.750 254 HD3 LYS 31 1HD LYS 31 12.329 2.696 -2.455 255 HE2 LYS 31 2HE LYS 31 13.823 4.328 -1.708 256 HE3 LYS 31 1HE LYS 31 12.554 5.245 -2.519 257 HZ1 LYS 31 1HZ LYS 31 13.209 6.214 -0.379 258 HZ2 LYS 31 2HZ LYS 31 12.715 4.804 0.413 259 HZ3 LYS 31 3HZ LYS 31 11.578 5.760 -0.396 260 H LYS 32 H LYS 32 8.277 4.256 -4.867 261 HA LYS 32 HA LYS 32 7.470 6.475 -3.464 262 HB2 LYS 32 2HB LYS 32 8.187 6.499 -5.820 263 HB3 LYS 32 1HB LYS 32 6.669 5.742 -6.284 264 HG2 LYS 32 2HG LYS 32 6.382 8.011 -6.753 265 HG3 LYS 32 1HG LYS 32 5.525 7.756 -5.232 266 HD2 LYS 32 2HD LYS 32 8.359 8.499 -4.963 267 HD3 LYS 32 1HD LYS 32 7.322 9.741 -5.667 268 HE2 LYS 32 2HE LYS 32 6.480 8.300 -3.183 269 HE3 LYS 32 1HE LYS 32 7.633 9.631 -3.088 270 HZ1 LYS 32 1HZ LYS 32 6.004 11.096 -3.330 271 HZ2 LYS 32 2HZ LYS 32 4.897 9.830 -3.159 272 HZ3 LYS 32 3HZ LYS 32 5.391 10.317 -4.701 273 H LYS 33 H LYS 33 5.293 4.336 -5.298 274 HA LYS 33 HA LYS 33 2.909 5.514 -4.429 275 HB2 LYS 33 2HB LYS 33 3.115 3.995 -6.376 276 HB3 LYS 33 1HB LYS 33 3.334 2.645 -5.273 277 HG2 LYS 33 2HG LYS 33 1.125 2.801 -4.476 278 HG3 LYS 33 1HG LYS 33 0.893 4.391 -5.207 279 HD2 LYS 33 2HD LYS 33 -0.259 2.756 -6.539 280 HD3 LYS 33 1HD LYS 33 1.141 3.335 -7.444 281 HE2 LYS 33 2HE LYS 33 1.740 1.019 -5.782 282 HE3 LYS 33 1HE LYS 33 0.482 0.698 -6.975 283 HZ1 LYS 33 1HZ LYS 33 1.918 1.279 -8.725 284 HZ2 LYS 33 2HZ LYS 33 2.839 0.291 -7.708 285 HZ3 LYS 33 3HZ LYS 33 3.063 1.967 -7.686 286 H CYS 34 H CYS 34 5.002 3.255 -2.851 287 HA CYS 34 HA CYS 34 3.206 2.024 -1.097 288 HB2 CYS 34 2HB CYS 34 5.999 2.070 -1.521 289 HB3 CYS 34 1HB CYS 34 5.752 2.420 0.181 290 H GLU 35 H GLU 35 5.368 4.790 -0.373 291 HA GLU 35 HA GLU 35 4.216 5.246 2.167 292 HB2 GLU 35 2HB GLU 35 5.453 7.468 2.001 293 HB3 GLU 35 1HB GLU 35 6.418 6.000 1.926 294 HG2 GLU 35 2HG GLU 35 7.155 6.463 -0.115 295 HG3 GLU 35 1HG GLU 35 5.544 6.892 -0.683 296 H GLU 36 H GLU 36 3.957 7.159 -0.835 297 HA GLU 36 HA GLU 36 2.233 9.101 -0.004 298 HB2 GLU 36 2HB GLU 36 3.315 8.570 -2.353 299 HB3 GLU 36 1HB GLU 36 1.741 7.857 -2.674 300 HG2 GLU 36 2HG GLU 36 1.156 10.323 -1.555 301 HG3 GLU 36 1HG GLU 36 2.540 10.633 -2.603 302 H LEU 37 H LEU 37 1.546 5.760 -0.613 303 HA LEU 37 HA LEU 37 -1.277 5.962 -0.805 304 HB2 LEU 37 2HB LEU 37 -0.203 4.038 -1.701 305 HB3 LEU 37 1HB LEU 37 0.595 3.692 -0.182 306 HG LEU 37 HG LEU 37 -1.364 2.849 0.799 307 HD11 LEU 37 1HD1 LEU 37 -2.699 4.603 -1.117 308 HD12 LEU 37 2HD1 LEU 37 -3.217 4.057 0.478 309 HD13 LEU 37 3HD1 LEU 37 -3.478 3.031 -0.932 310 HD21 LEU 37 1HD2 LEU 37 -1.061 0.995 -0.384 311 HD22 LEU 37 2HD2 LEU 37 -0.575 1.915 -1.808 312 HD23 LEU 37 3HD2 LEU 37 -2.282 1.581 -1.514 313 H LYS 38 H LYS 38 0.962 5.438 1.868 314 HA LYS 38 HA LYS 38 -0.938 4.762 3.829 315 HB2 LYS 38 2HB LYS 38 1.831 5.068 3.718 316 HB3 LYS 38 1HB LYS 38 1.306 6.256 4.903 317 HG2 LYS 38 2HG LYS 38 0.776 4.696 6.418 318 HG3 LYS 38 1HG LYS 38 0.072 3.619 5.211 319 HD2 LYS 38 2HD LYS 38 1.876 2.337 5.558 320 HD3 LYS 38 1HD LYS 38 2.744 3.535 4.595 321 HE2 LYS 38 2HE LYS 38 3.913 3.074 6.685 322 HE3 LYS 38 1HE LYS 38 3.345 4.742 6.630 323 HZ1 LYS 38 1HZ LYS 38 1.534 2.827 7.850 324 HZ2 LYS 38 2HZ LYS 38 1.919 4.405 8.320 325 HZ3 LYS 38 3HZ LYS 38 2.962 3.131 8.705 326 H LYS 39 H LYS 39 0.680 7.901 3.290 327 HA LYS 39 HA LYS 39 -0.676 9.413 5.138 328 HB2 LYS 39 2HB LYS 39 -0.183 11.362 3.683 329 HB3 LYS 39 1HB LYS 39 1.204 10.308 3.921 330 HG2 LYS 39 2HG LYS 39 0.656 9.253 1.713 331 HG3 LYS 39 1HG LYS 39 -0.535 10.536 1.480 332 HD2 LYS 39 2HD LYS 39 2.392 11.019 2.021 333 HD3 LYS 39 1HD LYS 39 1.678 10.978 0.407 334 HE2 LYS 39 2HE LYS 39 0.770 13.020 0.627 335 HE3 LYS 39 1HE LYS 39 0.289 12.732 2.299 336 HZ1 LYS 39 1HZ LYS 39 2.722 13.929 1.247 337 HZ2 LYS 39 2HZ LYS 39 2.917 12.913 2.586 338 HZ3 LYS 39 3HZ LYS 39 1.888 14.250 2.685 339 H LYS 40 H LYS 40 -1.782 8.316 2.005 340 HA LYS 40 HA LYS 40 -4.013 10.044 1.778 341 HB2 LYS 40 2HB LYS 40 -2.912 8.563 -0.025 342 HB3 LYS 40 1HB LYS 40 -3.910 7.268 0.622 343 HG2 LYS 40 2HG LYS 40 -5.875 8.237 -0.096 344 HG3 LYS 40 1HG LYS 40 -5.171 9.855 -0.168 345 HD2 LYS 40 2HD LYS 40 -3.893 9.260 -2.126 346 HD3 LYS 40 1HD LYS 40 -4.436 7.584 -2.014 347 HE2 LYS 40 2HE LYS 40 -5.710 8.703 -3.718 348 HE3 LYS 40 1HE LYS 40 -6.763 8.366 -2.345 349 HZ1 LYS 40 1HZ LYS 40 -7.024 10.623 -3.292 350 HZ2 LYS 40 2HZ LYS 40 -5.442 10.981 -2.815 351 HZ3 LYS 40 3HZ LYS 40 -6.616 10.627 -1.649 352 H ILE 41 H ILE 41 -3.447 7.131 3.573 353 HA ILE 41 HA ILE 41 -6.199 6.465 3.990 354 HB ILE 41 HB ILE 41 -3.914 5.652 5.777 355 HG12 ILE 41 2HG1 ILE 41 -4.757 4.461 3.126 356 HG13 ILE 41 1HG1 ILE 41 -3.198 5.179 3.512 357 HG21 ILE 41 1HG2 ILE 41 -6.209 5.151 6.520 358 HG22 ILE 41 2HG2 ILE 41 -5.271 3.692 6.197 359 HG23 ILE 41 3HG2 ILE 41 -6.473 4.243 5.031 360 HD11 ILE 41 1HD1 ILE 41 -2.588 3.042 3.789 361 HD12 ILE 41 2HD1 ILE 41 -4.239 2.496 4.084 362 HD13 ILE 41 3HD1 ILE 41 -3.312 3.248 5.383 363 H GLU 42 H GLU 42 -3.826 8.460 5.609 364 HA GLU 42 HA GLU 42 -5.241 8.810 8.041 365 HB2 GLU 42 2HB GLU 42 -3.194 10.590 6.702 366 HB3 GLU 42 1HB GLU 42 -3.758 10.776 8.356 367 HG2 GLU 42 2HG GLU 42 -2.787 8.699 9.002 368 HG3 GLU 42 1HG GLU 42 -2.410 8.294 7.329 369 H GLU 43 H GLU 43 -5.268 10.458 4.942 370 HA GLU 43 HA GLU 43 -6.890 12.645 5.778 371 HB2 GLU 43 2HB GLU 43 -7.015 13.235 3.472 372 HB3 GLU 43 1HB GLU 43 -5.393 12.620 3.751 373 HG2 GLU 43 2HG GLU 43 -5.662 10.913 2.339 374 HG3 GLU 43 1HG GLU 43 -7.310 10.593 2.867 375 H LEU 44 H LEU 44 -7.498 9.422 4.646 376 HA LEU 44 HA LEU 44 -10.180 9.675 3.869 377 HB2 LEU 44 2HB LEU 44 -8.363 7.472 4.635 378 HB3 LEU 44 1HB LEU 44 -10.076 7.133 4.791 379 HG LEU 44 HG LEU 44 -8.763 8.100 2.252 380 HD11 LEU 44 1HD1 LEU 44 -9.343 5.688 1.554 381 HD12 LEU 44 2HD1 LEU 44 -9.355 5.354 3.284 382 HD13 LEU 44 3HD1 LEU 44 -7.891 5.967 2.515 383 HD21 LEU 44 1HD2 LEU 44 -10.940 8.672 1.924 384 HD22 LEU 44 2HD2 LEU 44 -11.544 7.471 3.064 385 HD23 LEU 44 3HD2 LEU 44 -11.032 6.975 1.452 386 H GLY 45 H GLY 45 -12.037 8.631 5.049 387 HA2 GLY 45 2HA GLY 45 -11.859 8.916 7.963 388 HA3 GLY 45 1HA GLY 45 -13.032 9.903 7.105 389 H GLY 46 H GLY 46 -14.916 8.989 6.357 390 HA2 GLY 46 2HA GLY 46 -15.514 6.349 7.467 391 HA3 GLY 46 1HA GLY 46 -16.691 7.529 6.908 392 H GLY 47 H GLY 47 -17.832 6.275 5.506 393 HA2 GLY 47 2HA GLY 47 -16.436 4.665 3.528 394 HA3 GLY 47 1HA GLY 47 -18.174 4.753 3.764 395 H GLY 48 H GLY 48 -16.837 4.830 1.251 396 HA2 GLY 48 2HA GLY 48 -17.966 6.218 -0.502 397 HA3 GLY 48 1HA GLY 48 -17.406 7.607 0.416 398 H GLU 49 H GLU 49 -14.955 7.614 0.789 399 HA GLU 49 HA GLU 49 -13.700 7.166 -1.811 400 HB2 GLU 49 2HB GLU 49 -13.645 9.336 -0.207 401 HB3 GLU 49 1HB GLU 49 -12.196 8.512 0.356 402 HG2 GLU 49 2HG GLU 49 -11.191 8.606 -1.769 403 HG3 GLU 49 1HG GLU 49 -12.707 9.058 -2.549 404 H VAL 50 H VAL 50 -13.686 5.945 1.410 405 HA VAL 50 HA VAL 50 -11.162 4.914 1.743 406 HB VAL 50 HB VAL 50 -12.969 4.771 3.423 407 HG11 VAL 50 1HG1 VAL 50 -14.830 3.508 3.217 408 HG12 VAL 50 2HG1 VAL 50 -14.001 2.242 2.310 409 HG13 VAL 50 3HG1 VAL 50 -14.512 3.720 1.495 410 HG21 VAL 50 1HG2 VAL 50 -11.951 3.069 4.504 411 HG22 VAL 50 2HG2 VAL 50 -10.847 3.146 3.131 412 HG23 VAL 50 3HG2 VAL 50 -12.145 1.953 3.152 413 H LYS 51 H LYS 51 -13.658 3.842 -0.426 414 HA LYS 51 HA LYS 51 -12.574 1.263 -0.960 415 HB2 LYS 51 2HB LYS 51 -14.111 1.257 -2.888 416 HB3 LYS 51 1HB LYS 51 -14.914 1.731 -1.399 417 HG2 LYS 51 2HG LYS 51 -15.189 3.909 -2.077 418 HG3 LYS 51 1HG LYS 51 -13.834 3.839 -3.207 419 HD2 LYS 51 2HD LYS 51 -15.567 3.763 -4.693 420 HD3 LYS 51 1HD LYS 51 -15.379 2.036 -4.379 421 HE2 LYS 51 2HE LYS 51 -17.165 3.505 -2.545 422 HE3 LYS 51 1HE LYS 51 -17.728 3.345 -4.209 423 HZ1 LYS 51 1HZ LYS 51 -18.507 1.511 -2.872 424 HZ2 LYS 51 2HZ LYS 51 -16.927 1.118 -2.414 425 HZ3 LYS 51 3HZ LYS 51 -17.408 0.942 -4.026 426 H LYS 52 H LYS 52 -12.054 4.460 -2.274 427 HA LYS 52 HA LYS 52 -10.735 3.685 -4.653 428 HB2 LYS 52 2HB LYS 52 -11.577 5.918 -4.477 429 HB3 LYS 52 1HB LYS 52 -10.646 6.220 -3.016 430 HG2 LYS 52 2HG LYS 52 -8.620 6.334 -4.206 431 HG3 LYS 52 1HG LYS 52 -9.344 5.638 -5.657 432 HD2 LYS 52 2HD LYS 52 -10.915 7.807 -5.325 433 HD3 LYS 52 1HD LYS 52 -9.400 8.408 -4.647 434 HE2 LYS 52 2HE LYS 52 -8.540 7.177 -6.921 435 HE3 LYS 52 1HE LYS 52 -10.115 7.788 -7.423 436 HZ1 LYS 52 1HZ LYS 52 -7.709 9.255 -6.659 437 HZ2 LYS 52 2HZ LYS 52 -9.196 9.939 -6.233 438 HZ3 LYS 52 3HZ LYS 52 -8.854 9.603 -7.855 439 H VAL 53 H VAL 53 -9.387 4.899 -1.577 440 HA VAL 53 HA VAL 53 -6.698 4.459 -2.207 441 HB VAL 53 HB VAL 53 -7.870 4.270 0.569 442 HG11 VAL 53 1HG1 VAL 53 -5.774 4.455 1.356 443 HG12 VAL 53 2HG1 VAL 53 -5.302 5.612 0.110 444 HG13 VAL 53 3HG1 VAL 53 -5.305 3.884 -0.246 445 HG21 VAL 53 1HG2 VAL 53 -7.294 6.673 -1.139 446 HG22 VAL 53 2HG2 VAL 53 -7.330 6.762 0.622 447 HG23 VAL 53 3HG2 VAL 53 -8.772 6.271 -0.266 448 H GLU 54 H GLU 54 -9.180 2.255 -1.196 449 HA GLU 54 HA GLU 54 -7.539 0.182 -0.202 450 HB2 GLU 54 2HB GLU 54 -10.246 0.607 -0.390 451 HB3 GLU 54 1HB GLU 54 -9.994 -0.676 -1.565 452 HG2 GLU 54 2HG GLU 54 -8.537 -1.518 0.613 453 HG3 GLU 54 1HG GLU 54 -9.958 -0.766 1.335 454 H GLU 55 H GLU 55 -8.699 1.002 -3.419 455 HA GLU 55 HA GLU 55 -7.719 -1.354 -4.688 456 HB2 GLU 55 2HB GLU 55 -9.531 -0.000 -5.652 457 HB3 GLU 55 1HB GLU 55 -8.418 1.344 -5.865 458 HG2 GLU 55 2HG GLU 55 -7.433 -1.085 -7.096 459 HG3 GLU 55 1HG GLU 55 -9.018 -0.621 -7.712 460 H GLU 56 H GLU 56 -6.358 1.718 -3.829 461 HA GLU 56 HA GLU 56 -4.121 1.659 -5.577 462 HB2 GLU 56 2HB GLU 56 -4.787 3.168 -3.065 463 HB3 GLU 56 1HB GLU 56 -3.198 3.307 -3.802 464 HG2 GLU 56 2HG GLU 56 -4.554 3.844 -5.960 465 HG3 GLU 56 1HG GLU 56 -5.845 4.221 -4.820 466 H VAL 57 H VAL 57 -4.812 0.266 -2.465 467 HA VAL 57 HA VAL 57 -2.055 -0.403 -1.899 468 HB VAL 57 HB VAL 57 -4.526 -1.430 -0.498 469 HG11 VAL 57 1HG1 VAL 57 -2.463 -2.675 -0.058 470 HG12 VAL 57 2HG1 VAL 57 -3.016 -1.806 1.373 471 HG13 VAL 57 3HG1 VAL 57 -1.667 -1.178 0.428 472 HG21 VAL 57 1HG2 VAL 57 -4.092 1.166 -0.673 473 HG22 VAL 57 2HG2 VAL 57 -2.921 0.822 0.599 474 HG23 VAL 57 3HG2 VAL 57 -4.623 0.425 0.836 475 H LYS 58 H LYS 58 -4.794 -1.852 -3.432 476 HA LYS 58 HA LYS 58 -3.912 -4.560 -3.233 477 HB2 LYS 58 2HB LYS 58 -6.146 -3.101 -4.422 478 HB3 LYS 58 1HB LYS 58 -5.616 -4.463 -5.402 479 HG2 LYS 58 2HG LYS 58 -6.241 -6.009 -3.844 480 HG3 LYS 58 1HG LYS 58 -6.018 -4.899 -2.491 481 HD2 LYS 58 2HD LYS 58 -8.381 -5.372 -2.835 482 HD3 LYS 58 1HD LYS 58 -8.032 -3.676 -3.173 483 HE2 LYS 58 2HE LYS 58 -8.526 -3.876 -5.366 484 HE3 LYS 58 1HE LYS 58 -7.832 -5.493 -5.479 485 HZ1 LYS 58 1HZ LYS 58 -10.439 -5.005 -5.589 486 HZ2 LYS 58 2HZ LYS 58 -10.275 -5.268 -3.926 487 HZ3 LYS 58 3HZ LYS 58 -9.794 -6.463 -5.022 488 H LYS 59 H LYS 59 -3.334 -1.938 -5.457 489 HA LYS 59 HA LYS 59 -2.348 -3.577 -7.587 490 HB2 LYS 59 2HB LYS 59 -3.296 -1.277 -7.884 491 HB3 LYS 59 1HB LYS 59 -1.849 -0.633 -7.120 492 HG2 LYS 59 2HG LYS 59 -1.368 -2.449 -9.379 493 HG3 LYS 59 1HG LYS 59 -2.166 -0.928 -9.783 494 HD2 LYS 59 2HD LYS 59 -0.370 0.320 -8.720 495 HD3 LYS 59 1HD LYS 59 0.414 -1.185 -8.235 496 HE2 LYS 59 2HE LYS 59 0.262 -1.666 -10.834 497 HE3 LYS 59 1HE LYS 59 0.231 0.095 -10.911 498 HZ1 LYS 59 1HZ LYS 59 2.463 -1.420 -10.773 499 HZ2 LYS 59 2HZ LYS 59 2.262 -0.952 -9.160 500 HZ3 LYS 59 3HZ LYS 59 2.379 0.222 -10.373 501 H LEU 60 H LEU 60 -0.824 -1.656 -5.017 502 HA LEU 60 HA LEU 60 1.835 -2.215 -5.888 503 HB2 LEU 60 2HB LEU 60 1.049 -0.268 -4.433 504 HB3 LEU 60 1HB LEU 60 1.046 -1.407 -3.100 505 HG LEU 60 HG LEU 60 3.547 -1.431 -4.597 506 HD11 LEU 60 1HD1 LEU 60 3.793 0.756 -4.867 507 HD12 LEU 60 2HD1 LEU 60 3.981 0.830 -3.116 508 HD13 LEU 60 3HD1 LEU 60 2.404 1.130 -3.846 509 HD21 LEU 60 1HD2 LEU 60 4.506 -1.483 -2.424 510 HD22 LEU 60 2HD2 LEU 60 3.071 -2.506 -2.390 511 HD23 LEU 60 3HD2 LEU 60 3.017 -0.888 -1.690 512 H GLU 61 H GLU 61 -0.440 -3.899 -3.895 513 HA GLU 61 HA GLU 61 1.427 -5.489 -2.461 514 HB2 GLU 61 2HB GLU 61 -1.258 -5.064 -2.277 515 HB3 GLU 61 1HB GLU 61 -1.221 -6.662 -3.008 516 HG2 GLU 61 2HG GLU 61 0.365 -7.322 -1.149 517 HG3 GLU 61 1HG GLU 61 -0.067 -5.796 -0.380 518 H GLU 62 H GLU 62 -0.683 -6.247 -5.228 519 HA GLU 62 HA GLU 62 0.356 -8.785 -5.761 520 HB2 GLU 62 2HB GLU 62 -1.709 -7.368 -6.733 521 HB3 GLU 62 1HB GLU 62 -0.571 -7.142 -8.054 522 HG2 GLU 62 2HG GLU 62 -0.331 -9.591 -8.220 523 HG3 GLU 62 1HG GLU 62 -1.547 -9.766 -6.956 524 H GLU 63 H GLU 63 1.543 -5.614 -6.518 525 HA GLU 63 HA GLU 63 3.256 -6.265 -8.650 526 HB2 GLU 63 2HB GLU 63 2.733 -3.986 -6.956 527 HB3 GLU 63 1HB GLU 63 4.459 -4.167 -7.213 528 HG2 GLU 63 2HG GLU 63 2.830 -4.449 -9.630 529 HG3 GLU 63 1HG GLU 63 2.772 -2.857 -8.874 530 H ILE 64 H ILE 64 3.872 -6.062 -5.151 531 HA ILE 64 HA ILE 64 6.597 -6.800 -5.293 532 HB ILE 64 HB ILE 64 4.755 -7.284 -2.953 533 HG12 ILE 64 2HG1 ILE 64 6.217 -4.763 -3.763 534 HG13 ILE 64 1HG1 ILE 64 4.477 -4.974 -3.635 535 HG21 ILE 64 1HG2 ILE 64 7.686 -6.617 -2.935 536 HG22 ILE 64 2HG2 ILE 64 7.081 -8.273 -2.978 537 HG23 ILE 64 3HG2 ILE 64 6.698 -7.229 -1.610 538 HD11 ILE 64 1HD1 ILE 64 6.330 -5.253 -1.291 539 HD12 ILE 64 2HD1 ILE 64 4.572 -5.107 -1.277 540 HD13 ILE 64 3HD1 ILE 64 5.568 -3.731 -1.753 541 H LYS 65 H LYS 65 3.652 -8.608 -5.415 542 HA LYS 65 HA LYS 65 4.542 -11.108 -4.519 543 HB2 LYS 65 2HB LYS 65 2.230 -10.041 -5.876 544 HB3 LYS 65 1HB LYS 65 2.687 -11.587 -6.580 545 HG2 LYS 65 2HG LYS 65 1.067 -11.905 -4.817 546 HG3 LYS 65 1HG LYS 65 2.617 -12.611 -4.356 547 HD2 LYS 65 2HD LYS 65 2.937 -10.170 -3.313 548 HD3 LYS 65 1HD LYS 65 1.177 -10.279 -3.233 549 HE2 LYS 65 2HE LYS 65 2.751 -12.611 -2.286 550 HE3 LYS 65 1HE LYS 65 2.750 -11.163 -1.279 551 HZ1 LYS 65 1HZ LYS 65 0.285 -11.238 -1.369 552 HZ2 LYS 65 2HZ LYS 65 0.977 -12.565 -0.579 553 HZ3 LYS 65 3HZ LYS 65 0.390 -12.733 -2.156 554 H LYS 66 H LYS 66 4.824 -9.519 -7.638 555 HA LYS 66 HA LYS 66 5.657 -11.741 -9.147 556 HB2 LYS 66 2HB LYS 66 6.035 -8.775 -9.444 557 HB3 LYS 66 1HB LYS 66 6.801 -9.894 -10.563 558 HG2 LYS 66 2HG LYS 66 3.883 -10.156 -10.050 559 HG3 LYS 66 1HG LYS 66 4.458 -8.848 -11.085 560 HD2 LYS 66 2HD LYS 66 5.137 -10.267 -12.732 561 HD3 LYS 66 1HD LYS 66 5.537 -11.561 -11.600 562 HE2 LYS 66 2HE LYS 66 2.708 -10.728 -12.191 563 HE3 LYS 66 1HE LYS 66 3.552 -11.963 -13.124 564 HZ1 LYS 66 1HZ LYS 66 2.114 -12.725 -11.191 565 HZ2 LYS 66 2HZ LYS 66 3.335 -12.134 -10.182 566 HZ3 LYS 66 3HZ LYS 66 3.676 -13.367 -11.286 567 H LEU 67 H LEU 67 7.638 -9.131 -7.734 568 HA LEU 67 HA LEU 67 10.100 -10.420 -8.232 569 HB2 LEU 67 2HB LEU 67 11.010 -8.717 -6.686 570 HB3 LEU 67 1HB LEU 67 10.025 -8.044 -7.965 571 HG LEU 67 HG LEU 67 8.160 -8.275 -6.037 572 HD11 LEU 67 1HD1 LEU 67 9.836 -9.164 -4.442 573 HD12 LEU 67 2HD1 LEU 67 9.063 -7.676 -3.897 574 HD13 LEU 67 3HD1 LEU 67 10.699 -7.629 -4.552 575 HD21 LEU 67 1HD2 LEU 67 8.623 -6.265 -7.304 576 HD22 LEU 67 2HD2 LEU 67 10.110 -6.003 -6.392 577 HD23 LEU 67 3HD2 LEU 67 8.547 -5.889 -5.583 578 H6 HTS 101 H6 HTS 68 7.996 3.355 3.718 579 H3 HTS 101 H3 HTS 68 7.935 -0.737 0.971 580 H4 HTS 101 H4 HTS 68 10.081 0.309 1.571 581 H5 HTS 101 H5 HTS 68 10.112 2.360 2.939 582 HO1 HTS 101 HO1 HTS 68 5.428 2.158 4.113 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -17.770 5.405 13.028 2 H2 GLY 1 2H GLY 1 -17.535 6.214 11.561 3 H3 GLY 1 3H GLY 1 -16.203 5.667 12.449 4 HA2 GLY 1 1HA GLY 1 -18.126 3.621 11.741 5 HA3 GLY 1 2HA GLY 1 -17.271 4.343 10.386 6 H SER 2 H SER 2 -16.636 1.925 10.399 7 HA SER 2 HA SER 2 -13.945 1.798 11.459 8 HB2 SER 2 2HB SER 2 -15.909 -0.396 12.154 9 HB3 SER 2 1HB SER 2 -14.221 -0.280 12.653 10 HG SER 2 HG SER 2 -16.392 0.759 13.825 11 H ARG 3 H ARG 3 -12.858 1.363 9.657 12 HA ARG 3 HA ARG 3 -13.065 -1.097 8.323 13 HB2 ARG 3 2HB ARG 3 -14.879 0.918 7.379 14 HB3 ARG 3 1HB ARG 3 -13.687 0.585 6.129 15 HG2 ARG 3 2HG ARG 3 -14.235 -1.773 6.191 16 HG3 ARG 3 1HG ARG 3 -15.371 -1.494 7.513 17 HD2 ARG 3 2HD ARG 3 -15.875 0.228 5.224 18 HD3 ARG 3 1HD ARG 3 -15.959 -1.484 4.811 19 HE ARG 3 HE ARG 3 -17.435 -1.297 7.081 20 HH11 ARG 3 1HH1 ARG 3 -17.500 0.370 4.016 21 HH12 ARG 3 2HH1 ARG 3 -19.208 0.656 4.066 22 HH21 ARG 3 1HH2 ARG 3 -19.681 -0.921 7.148 23 HH22 ARG 3 2HH2 ARG 3 -20.446 -0.076 5.844 24 H VAL 4 H VAL 4 -12.148 2.302 8.043 25 HA VAL 4 HA VAL 4 -9.970 1.819 6.255 26 HB VAL 4 HB VAL 4 -11.080 4.007 6.363 27 HG11 VAL 4 1HG1 VAL 4 -10.415 5.511 8.307 28 HG12 VAL 4 2HG1 VAL 4 -9.976 4.030 9.158 29 HG13 VAL 4 3HG1 VAL 4 -11.640 4.283 8.628 30 HG21 VAL 4 1HG2 VAL 4 -8.146 3.946 7.039 31 HG22 VAL 4 2HG2 VAL 4 -8.991 5.408 6.528 32 HG23 VAL 4 3HG2 VAL 4 -8.893 4.021 5.443 33 H LYS 5 H LYS 5 -10.368 1.834 9.716 34 HA LYS 5 HA LYS 5 -7.753 2.234 10.567 35 HB2 LYS 5 2HB LYS 5 -10.190 1.049 11.675 36 HB3 LYS 5 1HB LYS 5 -8.718 0.347 12.331 37 HG2 LYS 5 2HG LYS 5 -8.827 2.042 13.784 38 HG3 LYS 5 1HG LYS 5 -8.133 2.990 12.466 39 HD2 LYS 5 2HD LYS 5 -10.754 3.130 11.836 40 HD3 LYS 5 1HD LYS 5 -10.857 3.015 13.594 41 HE2 LYS 5 2HE LYS 5 -10.581 5.244 13.519 42 HE3 LYS 5 1HE LYS 5 -8.876 4.840 13.318 43 HZ1 LYS 5 1HZ LYS 5 -8.896 5.432 11.152 44 HZ2 LYS 5 2HZ LYS 5 -10.174 6.420 11.653 45 HZ3 LYS 5 3HZ LYS 5 -10.495 4.942 10.898 46 H ALA 6 H ALA 6 -9.302 -0.646 9.288 47 HA ALA 6 HA ALA 6 -7.101 -2.389 9.872 48 HB1 ALA 6 1HB ALA 6 -9.696 -2.842 9.335 49 HB2 ALA 6 2HB ALA 6 -8.436 -4.062 9.151 50 HB3 ALA 6 3HB ALA 6 -8.997 -3.154 7.747 51 H LEU 7 H LEU 7 -7.980 -0.264 7.283 52 HA LEU 7 HA LEU 7 -6.428 -1.415 5.221 53 HB2 LEU 7 2HB LEU 7 -8.253 0.563 5.329 54 HB3 LEU 7 1HB LEU 7 -6.786 1.521 5.260 55 HG LEU 7 HG LEU 7 -7.617 -0.561 3.238 56 HD11 LEU 7 1HD1 LEU 7 -7.572 2.448 3.069 57 HD12 LEU 7 2HD1 LEU 7 -9.011 1.432 3.147 58 HD13 LEU 7 3HD1 LEU 7 -7.945 1.344 1.745 59 HD21 LEU 7 1HD2 LEU 7 -5.126 0.970 3.683 60 HD22 LEU 7 2HD2 LEU 7 -5.701 0.849 2.019 61 HD23 LEU 7 3HD2 LEU 7 -5.371 -0.615 2.948 62 H GLU 8 H GLU 8 -5.641 0.666 7.899 63 HA GLU 8 HA GLU 8 -3.110 1.515 6.837 64 HB2 GLU 8 2HB GLU 8 -4.379 1.731 9.561 65 HB3 GLU 8 1HB GLU 8 -2.760 2.324 9.223 66 HG2 GLU 8 2HG GLU 8 -3.656 3.830 7.529 67 HG3 GLU 8 1HG GLU 8 -5.282 3.229 7.854 68 H GLU 9 H GLU 9 -4.233 -1.070 8.925 69 HA GLU 9 HA GLU 9 -1.606 -1.809 9.808 70 HB2 GLU 9 2HB GLU 9 -2.654 -3.639 10.923 71 HB3 GLU 9 1HB GLU 9 -3.712 -2.247 11.098 72 HG2 GLU 9 2HG GLU 9 -5.393 -3.329 10.154 73 HG3 GLU 9 1HG GLU 9 -4.415 -3.730 8.745 74 H LYS 10 H LYS 10 -3.497 -2.457 7.016 75 HA LYS 10 HA LYS 10 -2.285 -4.955 6.332 76 HB2 LYS 10 2HB LYS 10 -4.410 -3.354 5.356 77 HB3 LYS 10 1HB LYS 10 -3.292 -3.588 4.021 78 HG2 LYS 10 2HG LYS 10 -3.795 -5.762 3.811 79 HG3 LYS 10 1HG LYS 10 -3.890 -6.015 5.555 80 HD2 LYS 10 2HD LYS 10 -6.096 -4.821 5.515 81 HD3 LYS 10 1HD LYS 10 -6.002 -4.840 3.754 82 HE2 LYS 10 2HE LYS 10 -6.490 -7.038 3.621 83 HE3 LYS 10 1HE LYS 10 -5.559 -7.435 5.065 84 HZ1 LYS 10 1HZ LYS 10 -7.368 -6.590 6.424 85 HZ2 LYS 10 2HZ LYS 10 -7.922 -7.816 5.397 86 HZ3 LYS 10 3HZ LYS 10 -8.259 -6.197 5.039 87 H VAL 11 H VAL 11 -1.955 -1.662 5.010 88 HA VAL 11 HA VAL 11 0.194 -2.266 3.295 89 HB VAL 11 HB VAL 11 -0.318 0.443 4.514 90 HG11 VAL 11 1HG1 VAL 11 0.880 1.326 2.774 91 HG12 VAL 11 2HG1 VAL 11 0.516 -0.019 1.694 92 HG13 VAL 11 3HG1 VAL 11 1.715 -0.215 2.973 93 HG21 VAL 11 1HG2 VAL 11 -2.066 -1.144 2.852 94 HG22 VAL 11 2HG2 VAL 11 -1.592 0.345 2.035 95 HG23 VAL 11 3HG2 VAL 11 -2.357 0.415 3.622 96 H LYS 12 H LYS 12 0.053 -1.462 6.658 97 HA LYS 12 HA LYS 12 2.685 -0.625 7.101 98 HB2 LYS 12 2HB LYS 12 0.638 -0.673 8.707 99 HB3 LYS 12 1HB LYS 12 1.193 -2.293 9.104 100 HG2 LYS 12 2HG LYS 12 3.487 -0.799 9.308 101 HG3 LYS 12 1HG LYS 12 2.244 0.297 9.914 102 HD2 LYS 12 2HD LYS 12 1.743 -1.042 11.704 103 HD3 LYS 12 1HD LYS 12 2.219 -2.521 10.869 104 HE2 LYS 12 2HE LYS 12 4.594 -1.745 11.035 105 HE3 LYS 12 1HE LYS 12 4.028 -0.423 12.054 106 HZ1 LYS 12 1HZ LYS 12 3.154 -2.066 13.614 107 HZ2 LYS 12 2HZ LYS 12 4.821 -2.254 13.393 108 HZ3 LYS 12 3HZ LYS 12 3.744 -3.320 12.642 109 H ALA 13 H ALA 13 1.271 -3.832 6.858 110 HA ALA 13 HA ALA 13 3.719 -5.187 7.582 111 HB1 ALA 13 1HB ALA 13 0.971 -5.982 6.840 112 HB2 ALA 13 2HB ALA 13 2.036 -6.615 8.096 113 HB3 ALA 13 3HB ALA 13 2.250 -7.122 6.420 114 H LEU 14 H LEU 14 2.221 -3.908 4.792 115 HA LEU 14 HA LEU 14 3.501 -5.402 2.769 116 HB2 LEU 14 2HB LEU 14 1.457 -3.776 2.755 117 HB3 LEU 14 1HB LEU 14 2.661 -2.542 2.451 118 HG LEU 14 HG LEU 14 2.602 -4.971 0.708 119 HD11 LEU 14 1HD1 LEU 14 0.919 -2.653 -0.062 120 HD12 LEU 14 2HD1 LEU 14 0.260 -3.799 1.106 121 HD13 LEU 14 3HD1 LEU 14 0.768 -4.358 -0.490 122 HD21 LEU 14 1HD2 LEU 14 3.243 -3.250 -0.984 123 HD22 LEU 14 2HD2 LEU 14 4.397 -3.444 0.333 124 HD23 LEU 14 3HD2 LEU 14 3.297 -2.066 0.320 125 H GLU 15 H GLU 15 4.510 -2.785 4.792 126 HA GLU 15 HA GLU 15 6.627 -1.825 3.147 127 HB2 GLU 15 2HB GLU 15 5.663 -0.332 4.742 128 HB3 GLU 15 1HB GLU 15 5.945 -1.455 6.063 129 HG2 GLU 15 2HG GLU 15 8.389 -1.151 5.711 130 HG3 GLU 15 1HG GLU 15 8.010 0.093 4.520 131 H GLU 16 H GLU 16 6.551 -3.880 6.065 132 HA GLU 16 HA GLU 16 9.252 -4.288 6.394 133 HB2 GLU 16 2HB GLU 16 8.715 -6.263 7.624 134 HB3 GLU 16 1HB GLU 16 7.424 -5.104 7.901 135 HG2 GLU 16 2HG GLU 16 6.573 -6.563 5.705 136 HG3 GLU 16 1HG GLU 16 7.324 -7.755 6.759 137 H LYS 17 H LYS 17 7.184 -5.544 3.913 138 HA LYS 17 HA LYS 17 8.923 -7.663 3.092 139 HB2 LYS 17 2HB LYS 17 6.427 -7.521 2.666 140 HB3 LYS 17 1HB LYS 17 6.790 -6.328 1.427 141 HG2 LYS 17 2HG LYS 17 7.673 -7.868 0.003 142 HG3 LYS 17 1HG LYS 17 8.217 -8.927 1.306 143 HD2 LYS 17 2HD LYS 17 6.463 -10.146 0.448 144 HD3 LYS 17 1HD LYS 17 5.649 -9.233 1.720 145 HE2 LYS 17 2HE LYS 17 4.257 -8.409 0.200 146 HE3 LYS 17 1HE LYS 17 5.619 -7.618 -0.592 147 HZ1 LYS 17 1HZ LYS 17 5.977 -9.653 -1.875 148 HZ2 LYS 17 2HZ LYS 17 4.435 -9.012 -2.143 149 HZ3 LYS 17 3HZ LYS 17 4.626 -10.363 -1.143 150 H VAL 18 H VAL 18 8.298 -4.361 1.953 151 HA VAL 18 HA VAL 18 10.209 -4.546 -0.183 152 HB VAL 18 HB VAL 18 9.179 -1.960 0.917 153 HG11 VAL 18 1HG1 VAL 18 10.916 -2.039 -0.890 154 HG12 VAL 18 2HG1 VAL 18 9.444 -1.161 -1.306 155 HG13 VAL 18 3HG1 VAL 18 9.704 -2.792 -1.925 156 HG21 VAL 18 1HG2 VAL 18 7.102 -2.832 0.692 157 HG22 VAL 18 2HG2 VAL 18 7.642 -4.109 -0.399 158 HG23 VAL 18 3HG2 VAL 18 7.382 -2.477 -1.013 159 H LYS 19 H LYS 19 10.094 -2.629 2.826 160 HA LYS 19 HA LYS 19 12.608 -1.517 2.689 161 HB2 LYS 19 2HB LYS 19 10.917 -2.338 5.035 162 HB3 LYS 19 1HB LYS 19 12.487 -1.578 5.263 163 HG2 LYS 19 2HG LYS 19 11.258 0.075 3.444 164 HG3 LYS 19 1HG LYS 19 9.938 -0.409 4.507 165 HD2 LYS 19 2HD LYS 19 11.340 0.246 6.453 166 HD3 LYS 19 1HD LYS 19 12.552 0.854 5.322 167 HE2 LYS 19 2HE LYS 19 11.144 2.562 4.555 168 HE3 LYS 19 1HE LYS 19 9.705 1.795 5.227 169 HZ1 LYS 19 1HZ LYS 19 10.086 2.654 7.256 170 HZ2 LYS 19 2HZ LYS 19 10.971 3.813 6.398 171 HZ3 LYS 19 3HZ LYS 19 11.769 2.518 7.138 172 H ALA 20 H ALA 20 11.747 -4.795 3.355 173 HA ALA 20 HA ALA 20 14.336 -5.460 4.484 174 HB1 ALA 20 1HB ALA 20 11.873 -7.076 3.883 175 HB2 ALA 20 2HB ALA 20 12.548 -6.648 5.455 176 HB3 ALA 20 3HB ALA 20 13.384 -7.809 4.424 177 H LEU 21 H LEU 21 12.858 -5.307 1.396 178 HA LEU 21 HA LEU 21 14.888 -7.078 0.236 179 HB2 LEU 21 2HB LEU 21 13.506 -7.390 -1.605 180 HB3 LEU 21 1HB LEU 21 12.378 -7.315 -0.266 181 HG LEU 21 HG LEU 21 12.167 -4.799 -0.911 182 HD11 LEU 21 1HD1 LEU 21 12.338 -4.872 -3.570 183 HD12 LEU 21 2HD1 LEU 21 13.675 -5.952 -3.173 184 HD13 LEU 21 3HD1 LEU 21 13.653 -4.307 -2.541 185 HD21 LEU 21 1HD2 LEU 21 10.991 -6.828 -2.792 186 HD22 LEU 21 2HD2 LEU 21 10.287 -5.305 -2.249 187 HD23 LEU 21 3HD2 LEU 21 10.459 -6.648 -1.119 188 H GLY 22 H GLY 22 15.967 -6.374 -1.753 189 HA2 GLY 22 2HA GLY 22 16.095 -3.473 -2.134 190 HA3 GLY 22 1HA GLY 22 17.573 -4.297 -1.663 191 H GLY 23 H GLY 23 16.793 -2.810 -4.138 192 HA2 GLY 23 2HA GLY 23 18.210 -4.292 -6.010 193 HA3 GLY 23 1HA GLY 23 16.512 -4.671 -6.264 194 H GLY 24 H GLY 24 15.804 -3.584 -7.978 195 HA2 GLY 24 2HA GLY 24 15.700 -0.750 -7.994 196 HA3 GLY 24 1HA GLY 24 16.951 -1.310 -9.092 197 H GLY 25 H GLY 25 14.570 0.129 -9.800 198 HA2 GLY 25 2HA GLY 25 13.347 -0.016 -11.806 199 HA3 GLY 25 1HA GLY 25 13.537 -1.763 -11.770 200 H ARG 26 H ARG 26 11.928 -2.992 -10.966 201 HA ARG 26 HA ARG 26 9.368 -1.955 -10.646 202 HB2 ARG 26 2HB ARG 26 8.673 -4.135 -10.044 203 HB3 ARG 26 1HB ARG 26 10.020 -4.357 -11.152 204 HG2 ARG 26 2HG ARG 26 10.250 -4.476 -8.153 205 HG3 ARG 26 1HG ARG 26 10.062 -5.886 -9.197 206 HD2 ARG 26 2HD ARG 26 12.132 -4.907 -10.432 207 HD3 ARG 26 1HD ARG 26 12.372 -4.007 -8.934 208 HE ARG 26 HE ARG 26 11.991 -6.717 -8.316 209 HH11 ARG 26 1HH1 ARG 26 14.343 -4.634 -9.834 210 HH12 ARG 26 2HH1 ARG 26 15.689 -5.642 -9.418 211 HH21 ARG 26 1HH2 ARG 26 13.759 -8.043 -7.767 212 HH22 ARG 26 2HH2 ARG 26 15.358 -7.577 -8.245 213 H ILE 27 H ILE 27 11.928 -2.344 -8.339 214 HA ILE 27 HA ILE 27 10.301 -2.147 -6.010 215 HB ILE 27 HB ILE 27 13.261 -1.618 -6.287 216 HG12 ILE 27 2HG1 ILE 27 11.898 -4.151 -5.363 217 HG13 ILE 27 1HG1 ILE 27 12.440 -3.901 -7.018 218 HG21 ILE 27 1HG2 ILE 27 12.875 -0.784 -4.212 219 HG22 ILE 27 2HG2 ILE 27 12.976 -2.491 -3.780 220 HG23 ILE 27 3HG2 ILE 27 11.400 -1.725 -3.987 221 HD11 ILE 27 1HD1 ILE 27 14.606 -4.198 -6.494 222 HD12 ILE 27 2HD1 ILE 27 13.916 -5.098 -5.142 223 HD13 ILE 27 3HD1 ILE 27 14.444 -3.431 -4.915 224 H GLU 28 H GLU 28 11.868 0.147 -8.120 225 HA GLU 28 HA GLU 28 11.870 2.370 -6.391 226 HB2 GLU 28 2HB GLU 28 12.734 1.850 -8.970 227 HB3 GLU 28 1HB GLU 28 11.470 3.049 -9.199 228 HG2 GLU 28 2HG GLU 28 13.044 4.558 -8.786 229 HG3 GLU 28 1HG GLU 28 12.893 4.078 -7.097 230 H GLU 29 H GLU 29 9.574 1.563 -9.016 231 HA GLU 29 HA GLU 29 7.792 3.663 -8.490 232 HB2 GLU 29 2HB GLU 29 7.695 2.490 -10.590 233 HB3 GLU 29 1HB GLU 29 7.344 0.969 -9.782 234 HG2 GLU 29 2HG GLU 29 5.160 1.384 -9.740 235 HG3 GLU 29 1HG GLU 29 5.403 3.020 -9.129 236 H LEU 30 H LEU 30 7.975 0.398 -7.197 237 HA LEU 30 HA LEU 30 5.489 0.426 -5.858 238 HB2 LEU 30 2HB LEU 30 7.985 -1.187 -5.353 239 HB3 LEU 30 1HB LEU 30 6.447 -1.478 -4.561 240 HG LEU 30 HG LEU 30 6.787 -1.578 -7.553 241 HD11 LEU 30 1HD1 LEU 30 7.431 -3.736 -7.496 242 HD12 LEU 30 2HD1 LEU 30 6.504 -4.086 -6.036 243 HD13 LEU 30 3HD1 LEU 30 8.070 -3.285 -5.915 244 HD21 LEU 30 1HD2 LEU 30 4.667 -2.560 -7.605 245 HD22 LEU 30 2HD2 LEU 30 4.509 -1.238 -6.448 246 HD23 LEU 30 3HD2 LEU 30 4.682 -2.897 -5.875 247 H LYS 31 H LYS 31 8.528 1.856 -5.099 248 HA LYS 31 HA LYS 31 8.117 1.989 -2.259 249 HB2 LYS 31 2HB LYS 31 10.369 1.977 -3.246 250 HB3 LYS 31 1HB LYS 31 10.034 3.514 -4.032 251 HG2 LYS 31 2HG LYS 31 10.429 4.694 -2.175 252 HG3 LYS 31 1HG LYS 31 9.604 3.529 -1.139 253 HD2 LYS 31 2HD LYS 31 12.138 2.583 -2.285 254 HD3 LYS 31 1HD LYS 31 12.292 3.941 -1.170 255 HE2 LYS 31 2HE LYS 31 10.559 2.341 0.177 256 HE3 LYS 31 1HE LYS 31 11.548 1.145 -0.660 257 HZ1 LYS 31 1HZ LYS 31 12.985 3.307 0.650 258 HZ2 LYS 31 2HZ LYS 31 13.356 1.660 0.557 259 HZ3 LYS 31 3HZ LYS 31 12.212 2.206 1.676 260 H LYS 32 H LYS 32 8.222 4.537 -4.766 261 HA LYS 32 HA LYS 32 7.381 6.647 -3.200 262 HB2 LYS 32 2HB LYS 32 8.011 6.298 -5.848 263 HB3 LYS 32 1HB LYS 32 6.305 6.713 -5.927 264 HG2 LYS 32 2HG LYS 32 6.642 8.836 -5.214 265 HG3 LYS 32 1HG LYS 32 8.015 8.395 -4.196 266 HD2 LYS 32 2HD LYS 32 9.315 8.017 -6.327 267 HD3 LYS 32 1HD LYS 32 7.969 8.771 -7.183 268 HE2 LYS 32 2HE LYS 32 8.387 10.848 -6.287 269 HE3 LYS 32 1HE LYS 32 9.181 10.188 -4.857 270 HZ1 LYS 32 1HZ LYS 32 11.163 10.087 -5.895 271 HZ2 LYS 32 2HZ LYS 32 10.499 11.295 -6.873 272 HZ3 LYS 32 3HZ LYS 32 10.499 9.688 -7.400 273 H LYS 33 H LYS 33 5.449 4.179 -4.778 274 HA LYS 33 HA LYS 33 2.953 5.494 -4.189 275 HB2 LYS 33 2HB LYS 33 3.762 3.553 -6.000 276 HB3 LYS 33 1HB LYS 33 2.749 2.672 -4.866 277 HG2 LYS 33 2HG LYS 33 1.827 5.247 -6.081 278 HG3 LYS 33 1HG LYS 33 1.652 3.712 -6.934 279 HD2 LYS 33 2HD LYS 33 0.620 4.211 -4.146 280 HD3 LYS 33 1HD LYS 33 -0.354 4.410 -5.603 281 HE2 LYS 33 2HE LYS 33 1.043 1.846 -5.456 282 HE3 LYS 33 1HE LYS 33 -0.111 2.100 -4.147 283 HZ1 LYS 33 1HZ LYS 33 -0.739 2.380 -7.036 284 HZ2 LYS 33 2HZ LYS 33 -1.835 2.510 -5.755 285 HZ3 LYS 33 3HZ LYS 33 -1.105 1.022 -6.094 286 H CYS 34 H CYS 34 5.002 3.179 -2.630 287 HA CYS 34 HA CYS 34 3.115 1.871 -1.003 288 HB2 CYS 34 2HB CYS 34 5.874 1.795 -1.389 289 HB3 CYS 34 1HB CYS 34 5.692 2.251 0.293 290 H GLU 35 H GLU 35 5.342 4.515 -0.117 291 HA GLU 35 HA GLU 35 4.144 4.949 2.406 292 HB2 GLU 35 2HB GLU 35 5.495 7.078 2.388 293 HB3 GLU 35 1HB GLU 35 6.408 5.590 2.169 294 HG2 GLU 35 2HG GLU 35 7.210 6.296 0.238 295 HG3 GLU 35 1HG GLU 35 5.587 6.614 -0.369 296 H GLU 36 H GLU 36 3.870 6.713 -0.670 297 HA GLU 36 HA GLU 36 2.261 8.800 0.194 298 HB2 GLU 36 2HB GLU 36 3.314 8.590 -2.065 299 HB3 GLU 36 1HB GLU 36 2.077 7.414 -2.486 300 HG2 GLU 36 2HG GLU 36 0.580 9.512 -1.596 301 HG3 GLU 36 1HG GLU 36 1.942 10.328 -2.361 302 H LEU 37 H LEU 37 1.496 5.484 -0.403 303 HA LEU 37 HA LEU 37 -1.316 5.729 -0.636 304 HB2 LEU 37 2HB LEU 37 -0.375 3.769 -1.498 305 HB3 LEU 37 1HB LEU 37 0.580 3.480 -0.059 306 HG LEU 37 HG LEU 37 -1.340 2.725 1.157 307 HD11 LEU 37 1HD1 LEU 37 -2.871 4.421 -0.060 308 HD12 LEU 37 2HD1 LEU 37 -3.548 2.882 0.471 309 HD13 LEU 37 3HD1 LEU 37 -3.112 3.117 -1.222 310 HD21 LEU 37 1HD2 LEU 37 -1.708 1.445 -1.518 311 HD22 LEU 37 2HD2 LEU 37 -1.690 0.707 0.083 312 HD23 LEU 37 3HD2 LEU 37 -0.185 1.267 -0.646 313 H LYS 38 H LYS 38 0.839 5.065 2.099 314 HA LYS 38 HA LYS 38 -1.119 4.504 4.015 315 HB2 LYS 38 2HB LYS 38 1.725 5.252 4.027 316 HB3 LYS 38 1HB LYS 38 0.853 5.696 5.487 317 HG2 LYS 38 2HG LYS 38 1.019 3.620 6.222 318 HG3 LYS 38 1HG LYS 38 0.111 3.046 4.821 319 HD2 LYS 38 2HD LYS 38 1.983 1.912 4.323 320 HD3 LYS 38 1HD LYS 38 2.586 3.468 3.750 321 HE2 LYS 38 2HE LYS 38 2.878 2.944 6.639 322 HE3 LYS 38 1HE LYS 38 3.859 1.945 5.568 323 HZ1 LYS 38 1HZ LYS 38 3.950 4.846 6.000 324 HZ2 LYS 38 2HZ LYS 38 4.407 4.235 4.491 325 HZ3 LYS 38 3HZ LYS 38 5.222 3.736 5.885 326 H LYS 39 H LYS 39 0.594 7.596 3.506 327 HA LYS 39 HA LYS 39 -0.758 9.154 5.314 328 HB2 LYS 39 2HB LYS 39 -0.166 11.082 3.893 329 HB3 LYS 39 1HB LYS 39 1.178 9.969 4.104 330 HG2 LYS 39 2HG LYS 39 0.645 8.988 1.890 331 HG3 LYS 39 1HG LYS 39 -0.582 10.239 1.679 332 HD2 LYS 39 2HD LYS 39 2.291 10.893 2.277 333 HD3 LYS 39 1HD LYS 39 1.701 10.667 0.629 334 HE2 LYS 39 2HE LYS 39 -0.155 12.379 1.578 335 HE3 LYS 39 1HE LYS 39 1.244 12.878 2.526 336 HZ1 LYS 39 1HZ LYS 39 2.486 13.152 0.460 337 HZ2 LYS 39 2HZ LYS 39 1.106 14.130 0.479 338 HZ3 LYS 39 3HZ LYS 39 1.121 12.708 -0.437 339 H LYS 40 H LYS 40 -1.827 8.101 2.147 340 HA LYS 40 HA LYS 40 -4.009 9.886 1.895 341 HB2 LYS 40 2HB LYS 40 -2.992 8.537 0.034 342 HB3 LYS 40 1HB LYS 40 -3.783 7.117 0.704 343 HG2 LYS 40 2HG LYS 40 -5.922 7.932 0.197 344 HG3 LYS 40 1HG LYS 40 -5.323 9.570 -0.075 345 HD2 LYS 40 2HD LYS 40 -3.945 8.518 -1.980 346 HD3 LYS 40 1HD LYS 40 -5.042 7.145 -1.818 347 HE2 LYS 40 2HE LYS 40 -6.002 9.970 -2.202 348 HE3 LYS 40 1HE LYS 40 -5.664 8.885 -3.550 349 HZ1 LYS 40 1HZ LYS 40 -7.331 7.378 -2.769 350 HZ2 LYS 40 2HZ LYS 40 -8.022 8.918 -2.876 351 HZ3 LYS 40 3HZ LYS 40 -7.587 8.291 -1.367 352 H ILE 41 H ILE 41 -3.560 6.923 3.651 353 HA ILE 41 HA ILE 41 -6.347 6.360 4.017 354 HB ILE 41 HB ILE 41 -4.133 5.393 5.815 355 HG12 ILE 41 2HG1 ILE 41 -4.963 4.316 3.112 356 HG13 ILE 41 1HG1 ILE 41 -3.386 4.967 3.546 357 HG21 ILE 41 1HG2 ILE 41 -5.644 3.377 5.899 358 HG22 ILE 41 2HG2 ILE 41 -6.847 4.346 5.048 359 HG23 ILE 41 3HG2 ILE 41 -6.283 4.842 6.643 360 HD11 ILE 41 1HD1 ILE 41 -3.534 2.471 3.401 361 HD12 ILE 41 2HD1 ILE 41 -4.561 2.523 4.835 362 HD13 ILE 41 3HD1 ILE 41 -2.898 3.106 4.919 363 H GLU 42 H GLU 42 -3.905 8.205 5.706 364 HA GLU 42 HA GLU 42 -5.326 8.556 8.134 365 HB2 GLU 42 2HB GLU 42 -3.301 10.463 6.960 366 HB3 GLU 42 1HB GLU 42 -3.710 10.244 8.657 367 HG2 GLU 42 2HG GLU 42 -2.802 7.935 8.511 368 HG3 GLU 42 1HG GLU 42 -2.268 8.300 6.872 369 H GLU 43 H GLU 43 -5.319 10.214 5.054 370 HA GLU 43 HA GLU 43 -6.829 12.472 5.951 371 HB2 GLU 43 2HB GLU 43 -6.896 13.143 3.668 372 HB3 GLU 43 1HB GLU 43 -5.307 12.445 3.940 373 HG2 GLU 43 2HG GLU 43 -5.621 10.874 2.405 374 HG3 GLU 43 1HG GLU 43 -7.233 10.487 2.998 375 H LEU 44 H LEU 44 -7.548 9.314 4.713 376 HA LEU 44 HA LEU 44 -10.197 9.675 3.892 377 HB2 LEU 44 2HB LEU 44 -8.484 7.401 4.675 378 HB3 LEU 44 1HB LEU 44 -10.208 7.124 4.815 379 HG LEU 44 HG LEU 44 -8.864 8.074 2.286 380 HD11 LEU 44 1HD1 LEU 44 -9.338 5.705 1.533 381 HD12 LEU 44 2HD1 LEU 44 -9.556 5.308 3.236 382 HD13 LEU 44 3HD1 LEU 44 -8.001 5.914 2.665 383 HD21 LEU 44 1HD2 LEU 44 -10.920 7.682 1.217 384 HD22 LEU 44 2HD2 LEU 44 -11.331 8.548 2.697 385 HD23 LEU 44 3HD2 LEU 44 -11.569 6.803 2.601 386 H GLY 45 H GLY 45 -11.906 8.130 5.204 387 HA2 GLY 45 2HA GLY 45 -11.897 9.032 8.007 388 HA3 GLY 45 1HA GLY 45 -13.293 9.354 6.991 389 H GLY 46 H GLY 46 -13.864 7.148 5.699 390 HA2 GLY 46 2HA GLY 46 -13.592 4.639 6.560 391 HA3 GLY 46 1HA GLY 46 -14.597 5.310 7.835 392 H GLY 47 H GLY 47 -14.630 5.849 4.318 393 HA2 GLY 47 2HA GLY 47 -16.536 4.295 3.339 394 HA3 GLY 47 1HA GLY 47 -17.510 5.369 4.330 395 H GLY 48 H GLY 48 -17.541 4.997 1.432 396 HA2 GLY 48 2HA GLY 48 -18.142 6.568 -0.209 397 HA3 GLY 48 1HA GLY 48 -17.322 7.815 0.717 398 H GLU 49 H GLU 49 -14.970 7.842 0.670 399 HA GLU 49 HA GLU 49 -13.992 7.073 -1.973 400 HB2 GLU 49 2HB GLU 49 -13.771 9.426 -0.798 401 HB3 GLU 49 1HB GLU 49 -12.369 8.679 -0.045 402 HG2 GLU 49 2HG GLU 49 -11.286 8.381 -2.100 403 HG3 GLU 49 1HG GLU 49 -12.764 8.665 -3.016 404 H VAL 50 H VAL 50 -13.767 6.105 1.294 405 HA VAL 50 HA VAL 50 -11.214 5.128 1.579 406 HB VAL 50 HB VAL 50 -12.930 5.083 3.353 407 HG11 VAL 50 1HG1 VAL 50 -14.040 2.788 1.751 408 HG12 VAL 50 2HG1 VAL 50 -14.850 4.296 2.176 409 HG13 VAL 50 3HG1 VAL 50 -14.469 3.115 3.430 410 HG21 VAL 50 1HG2 VAL 50 -11.842 3.464 4.485 411 HG22 VAL 50 2HG2 VAL 50 -10.819 3.439 3.050 412 HG23 VAL 50 3HG2 VAL 50 -12.114 2.255 3.230 413 H LYS 51 H LYS 51 -13.813 3.863 -0.365 414 HA LYS 51 HA LYS 51 -12.787 1.262 -0.776 415 HB2 LYS 51 2HB LYS 51 -14.286 1.249 -2.775 416 HB3 LYS 51 1HB LYS 51 -15.089 1.707 -1.279 417 HG2 LYS 51 2HG LYS 51 -15.205 3.967 -1.907 418 HG3 LYS 51 1HG LYS 51 -14.038 3.746 -3.213 419 HD2 LYS 51 2HD LYS 51 -15.850 2.038 -4.081 420 HD3 LYS 51 1HD LYS 51 -16.928 3.033 -3.100 421 HE2 LYS 51 2HE LYS 51 -17.074 4.199 -5.042 422 HE3 LYS 51 1HE LYS 51 -15.639 4.980 -4.378 423 HZ1 LYS 51 1HZ LYS 51 -15.739 3.938 -6.816 424 HZ2 LYS 51 2HZ LYS 51 -15.173 2.590 -5.965 425 HZ3 LYS 51 3HZ LYS 51 -14.310 4.043 -5.915 426 H LYS 52 H LYS 52 -12.123 4.348 -2.274 427 HA LYS 52 HA LYS 52 -10.828 3.380 -4.596 428 HB2 LYS 52 2HB LYS 52 -11.570 5.655 -4.553 429 HB3 LYS 52 1HB LYS 52 -10.634 5.998 -3.106 430 HG2 LYS 52 2HG LYS 52 -9.597 6.969 -5.077 431 HG3 LYS 52 1HG LYS 52 -8.566 5.726 -4.365 432 HD2 LYS 52 2HD LYS 52 -8.888 4.267 -6.109 433 HD3 LYS 52 1HD LYS 52 -10.464 4.945 -6.524 434 HE2 LYS 52 2HE LYS 52 -9.363 5.913 -8.223 435 HE3 LYS 52 1HE LYS 52 -8.822 7.061 -6.999 436 HZ1 LYS 52 1HZ LYS 52 -6.744 6.217 -6.996 437 HZ2 LYS 52 2HZ LYS 52 -7.157 5.729 -8.562 438 HZ3 LYS 52 3HZ LYS 52 -7.249 4.627 -7.282 439 H VAL 53 H VAL 53 -9.444 4.704 -1.583 440 HA VAL 53 HA VAL 53 -6.774 4.168 -2.138 441 HB VAL 53 HB VAL 53 -8.071 4.085 0.591 442 HG11 VAL 53 1HG1 VAL 53 -5.624 5.141 0.977 443 HG12 VAL 53 2HG1 VAL 53 -5.282 4.048 -0.364 444 HG13 VAL 53 3HG1 VAL 53 -5.981 3.421 1.129 445 HG21 VAL 53 1HG2 VAL 53 -8.685 6.147 -0.431 446 HG22 VAL 53 2HG2 VAL 53 -7.053 6.395 -1.053 447 HG23 VAL 53 3HG2 VAL 53 -7.360 6.492 0.681 448 H GLU 54 H GLU 54 -9.312 2.009 -1.165 449 HA GLU 54 HA GLU 54 -7.729 -0.086 -0.130 450 HB2 GLU 54 2HB GLU 54 -10.493 0.064 -1.295 451 HB3 GLU 54 1HB GLU 54 -9.781 -1.494 -0.893 452 HG2 GLU 54 2HG GLU 54 -9.320 -0.071 1.383 453 HG3 GLU 54 1HG GLU 54 -10.865 0.587 0.847 454 H GLU 55 H GLU 55 -8.746 0.779 -3.377 455 HA GLU 55 HA GLU 55 -7.781 -1.610 -4.615 456 HB2 GLU 55 2HB GLU 55 -9.550 -0.267 -5.642 457 HB3 GLU 55 1HB GLU 55 -8.449 1.095 -5.795 458 HG2 GLU 55 2HG GLU 55 -8.448 0.195 -7.917 459 HG3 GLU 55 1HG GLU 55 -7.008 -0.522 -7.197 460 H GLU 56 H GLU 56 -6.413 1.453 -3.733 461 HA GLU 56 HA GLU 56 -4.135 1.375 -5.423 462 HB2 GLU 56 2HB GLU 56 -4.841 2.890 -2.924 463 HB3 GLU 56 1HB GLU 56 -3.238 3.015 -3.633 464 HG2 GLU 56 2HG GLU 56 -4.590 3.542 -5.816 465 HG3 GLU 56 1HG GLU 56 -5.851 3.983 -4.666 466 H VAL 57 H VAL 57 -4.910 -0.028 -2.337 467 HA VAL 57 HA VAL 57 -2.173 -0.688 -1.689 468 HB VAL 57 HB VAL 57 -4.638 -1.819 -0.375 469 HG11 VAL 57 1HG1 VAL 57 -3.212 -2.120 1.533 470 HG12 VAL 57 2HG1 VAL 57 -1.889 -1.271 0.733 471 HG13 VAL 57 3HG1 VAL 57 -2.427 -2.837 0.126 472 HG21 VAL 57 1HG2 VAL 57 -3.659 0.924 -0.380 473 HG22 VAL 57 2HG2 VAL 57 -3.776 0.239 1.242 474 HG23 VAL 57 3HG2 VAL 57 -5.194 0.270 0.192 475 H LYS 58 H LYS 58 -4.846 -2.147 -3.322 476 HA LYS 58 HA LYS 58 -3.934 -4.847 -3.128 477 HB2 LYS 58 2HB LYS 58 -6.170 -3.409 -4.331 478 HB3 LYS 58 1HB LYS 58 -5.601 -4.745 -5.326 479 HG2 LYS 58 2HG LYS 58 -6.372 -6.303 -3.907 480 HG3 LYS 58 1HG LYS 58 -5.924 -5.372 -2.476 481 HD2 LYS 58 2HD LYS 58 -7.885 -4.054 -2.605 482 HD3 LYS 58 1HD LYS 58 -8.253 -4.632 -4.231 483 HE2 LYS 58 2HE LYS 58 -8.030 -6.715 -2.164 484 HE3 LYS 58 1HE LYS 58 -9.386 -5.605 -1.975 485 HZ1 LYS 58 1HZ LYS 58 -8.775 -7.258 -4.364 486 HZ2 LYS 58 2HZ LYS 58 -10.015 -6.109 -4.287 487 HZ3 LYS 58 3HZ LYS 58 -10.063 -7.474 -3.289 488 H LYS 59 H LYS 59 -3.352 -2.196 -5.314 489 HA LYS 59 HA LYS 59 -2.349 -3.781 -7.464 490 HB2 LYS 59 2HB LYS 59 -3.237 -1.559 -7.878 491 HB3 LYS 59 1HB LYS 59 -2.007 -0.844 -6.844 492 HG2 LYS 59 2HG LYS 59 -0.760 -2.429 -8.883 493 HG3 LYS 59 1HG LYS 59 -1.890 -1.285 -9.611 494 HD2 LYS 59 2HD LYS 59 -0.201 -0.165 -7.482 495 HD3 LYS 59 1HD LYS 59 0.677 -0.699 -8.917 496 HE2 LYS 59 2HE LYS 59 -1.174 0.611 -10.198 497 HE3 LYS 59 1HE LYS 59 -1.418 1.419 -8.650 498 HZ1 LYS 59 1HZ LYS 59 0.492 2.547 -8.849 499 HZ2 LYS 59 2HZ LYS 59 0.358 2.195 -10.498 500 HZ3 LYS 59 3HZ LYS 59 1.339 1.237 -9.507 501 H LEU 60 H LEU 60 -0.814 -2.019 -4.792 502 HA LEU 60 HA LEU 60 1.833 -2.610 -5.727 503 HB2 LEU 60 2HB LEU 60 0.951 -0.666 -4.189 504 HB3 LEU 60 1HB LEU 60 1.303 -1.811 -2.907 505 HG LEU 60 HG LEU 60 3.523 -1.653 -4.740 506 HD11 LEU 60 1HD1 LEU 60 2.825 0.944 -3.398 507 HD12 LEU 60 2HD1 LEU 60 2.565 0.618 -5.112 508 HD13 LEU 60 3HD1 LEU 60 4.197 0.601 -4.450 509 HD21 LEU 60 1HD2 LEU 60 3.941 -2.513 -2.623 510 HD22 LEU 60 2HD2 LEU 60 3.065 -1.214 -1.813 511 HD23 LEU 60 3HD2 LEU 60 4.632 -0.893 -2.555 512 H GLU 61 H GLU 61 -0.435 -4.180 -3.624 513 HA GLU 61 HA GLU 61 1.447 -5.795 -2.231 514 HB2 GLU 61 2HB GLU 61 -1.219 -5.245 -1.950 515 HB3 GLU 61 1HB GLU 61 -1.258 -6.885 -2.572 516 HG2 GLU 61 2HG GLU 61 0.637 -7.130 -0.670 517 HG3 GLU 61 1HG GLU 61 -0.375 -5.866 0.030 518 H GLU 62 H GLU 62 -0.561 -6.258 -5.096 519 HA GLU 62 HA GLU 62 0.245 -8.961 -5.537 520 HB2 GLU 62 2HB GLU 62 -1.800 -7.393 -6.443 521 HB3 GLU 62 1HB GLU 62 -0.749 -7.436 -7.850 522 HG2 GLU 62 2HG GLU 62 -0.842 -9.821 -7.931 523 HG3 GLU 62 1HG GLU 62 -1.693 -9.886 -6.388 524 H GLU 63 H GLU 63 1.489 -5.849 -6.421 525 HA GLU 63 HA GLU 63 3.021 -6.586 -8.663 526 HB2 GLU 63 2HB GLU 63 2.592 -4.259 -7.091 527 HB3 GLU 63 1HB GLU 63 4.330 -4.500 -7.204 528 HG2 GLU 63 2HG GLU 63 2.714 -4.709 -9.687 529 HG3 GLU 63 1HG GLU 63 3.000 -3.111 -8.997 530 H ILE 64 H ILE 64 4.108 -6.029 -5.316 531 HA ILE 64 HA ILE 64 6.728 -6.823 -5.561 532 HB ILE 64 HB ILE 64 5.012 -7.379 -3.138 533 HG12 ILE 64 2HG1 ILE 64 6.477 -4.838 -3.890 534 HG13 ILE 64 1HG1 ILE 64 4.731 -5.044 -3.893 535 HG21 ILE 64 1HG2 ILE 64 7.063 -7.170 -1.888 536 HG22 ILE 64 2HG2 ILE 64 7.956 -6.768 -3.354 537 HG23 ILE 64 3HG2 ILE 64 7.271 -8.380 -3.153 538 HD11 ILE 64 1HD1 ILE 64 6.071 -3.964 -1.860 539 HD12 ILE 64 2HD1 ILE 64 6.116 -5.655 -1.364 540 HD13 ILE 64 3HD1 ILE 64 4.566 -4.862 -1.652 541 H LYS 65 H LYS 65 3.885 -8.839 -5.470 542 HA LYS 65 HA LYS 65 4.923 -11.255 -4.611 543 HB2 LYS 65 2HB LYS 65 2.630 -10.390 -6.183 544 HB3 LYS 65 1HB LYS 65 3.211 -11.976 -6.674 545 HG2 LYS 65 2HG LYS 65 1.567 -12.349 -5.032 546 HG3 LYS 65 1HG LYS 65 3.120 -12.628 -4.242 547 HD2 LYS 65 2HD LYS 65 2.942 -10.140 -3.551 548 HD3 LYS 65 1HD LYS 65 1.230 -10.323 -3.938 549 HE2 LYS 65 2HE LYS 65 1.732 -10.702 -1.546 550 HE3 LYS 65 1HE LYS 65 1.008 -12.104 -2.332 551 HZ1 LYS 65 1HZ LYS 65 3.931 -11.923 -2.221 552 HZ2 LYS 65 2HZ LYS 65 2.935 -13.290 -2.198 553 HZ3 LYS 65 3HZ LYS 65 3.101 -12.342 -0.806 554 H LYS 66 H LYS 66 5.156 -9.750 -7.792 555 HA LYS 66 HA LYS 66 6.723 -12.011 -8.787 556 HB2 LYS 66 2HB LYS 66 5.474 -9.610 -10.101 557 HB3 LYS 66 1HB LYS 66 6.676 -10.582 -10.937 558 HG2 LYS 66 2HG LYS 66 4.399 -12.022 -9.716 559 HG3 LYS 66 1HG LYS 66 4.062 -11.030 -11.135 560 HD2 LYS 66 2HD LYS 66 6.364 -12.942 -11.141 561 HD3 LYS 66 1HD LYS 66 4.725 -13.520 -11.449 562 HE2 LYS 66 2HE LYS 66 4.531 -12.319 -13.415 563 HE3 LYS 66 1HE LYS 66 5.770 -11.156 -12.945 564 HZ1 LYS 66 1HZ LYS 66 6.326 -12.906 -14.717 565 HZ2 LYS 66 2HZ LYS 66 6.471 -13.981 -13.419 566 HZ3 LYS 66 3HZ LYS 66 7.462 -12.612 -13.497 567 H LEU 67 H LEU 67 7.031 -8.473 -9.046 568 HA LEU 67 HA LEU 67 8.787 -7.069 -8.730 569 HB2 LEU 67 2HB LEU 67 9.194 -9.046 -6.841 570 HB3 LEU 67 1HB LEU 67 10.722 -8.983 -7.690 571 HG LEU 67 HG LEU 67 10.323 -6.349 -7.251 572 HD11 LEU 67 1HD1 LEU 67 8.556 -6.115 -5.891 573 HD12 LEU 67 2HD1 LEU 67 9.686 -6.610 -4.632 574 HD13 LEU 67 3HD1 LEU 67 8.607 -7.797 -5.365 575 HD21 LEU 67 1HD2 LEU 67 12.315 -6.723 -6.350 576 HD22 LEU 67 2HD2 LEU 67 11.952 -8.441 -6.196 577 HD23 LEU 67 3HD2 LEU 67 11.528 -7.329 -4.895 578 H6 HTS 101 H6 HTS 68 8.127 3.378 3.615 579 H3 HTS 101 H3 HTS 68 7.913 -0.817 1.035 580 H4 HTS 101 H4 HTS 68 10.084 0.281 1.421 581 H5 HTS 101 H5 HTS 68 10.191 2.373 2.718 582 HO1 HTS 101 HO1 HTS 68 5.752 3.345 3.278 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -16.433 -3.581 15.940 2 H2 GLY 1 2H GLY 1 -16.049 -1.939 15.803 3 H3 GLY 1 3H GLY 1 -14.814 -3.087 15.934 4 HA2 GLY 1 1HA GLY 1 -15.655 -4.080 13.798 5 HA3 GLY 1 2HA GLY 1 -16.638 -2.631 13.646 6 H SER 2 H SER 2 -13.827 -4.013 12.694 7 HA SER 2 HA SER 2 -12.442 -1.429 12.422 8 HB2 SER 2 2HB SER 2 -10.410 -2.881 11.944 9 HB3 SER 2 1HB SER 2 -11.027 -2.945 13.595 10 HG SER 2 HG SER 2 -11.375 -4.846 11.525 11 H ARG 3 H ARG 3 -12.799 -0.530 10.505 12 HA ARG 3 HA ARG 3 -12.931 -2.281 8.138 13 HB2 ARG 3 2HB ARG 3 -14.946 -0.755 8.923 14 HB3 ARG 3 1HB ARG 3 -14.032 0.494 8.089 15 HG2 ARG 3 2HG ARG 3 -14.301 -1.943 6.523 16 HG3 ARG 3 1HG ARG 3 -15.851 -1.217 6.948 17 HD2 ARG 3 2HD ARG 3 -14.792 0.990 6.153 18 HD3 ARG 3 1HD ARG 3 -13.582 -0.036 5.382 19 HE ARG 3 HE ARG 3 -16.104 -0.975 4.645 20 HH11 ARG 3 1HH1 ARG 3 -14.115 1.855 4.184 21 HH12 ARG 3 2HH1 ARG 3 -14.800 2.240 2.642 22 HH21 ARG 3 1HH2 ARG 3 -17.007 -0.471 2.615 23 HH22 ARG 3 2HH2 ARG 3 -16.443 0.920 1.750 24 H VAL 4 H VAL 4 -12.292 1.169 8.790 25 HA VAL 4 HA VAL 4 -10.335 1.261 6.671 26 HB VAL 4 HB VAL 4 -10.942 3.418 8.694 27 HG11 VAL 4 1HG1 VAL 4 -9.125 4.252 7.637 28 HG12 VAL 4 2HG1 VAL 4 -10.324 4.703 6.424 29 HG13 VAL 4 3HG1 VAL 4 -9.356 3.244 6.209 30 HG21 VAL 4 1HG2 VAL 4 -13.034 3.223 7.820 31 HG22 VAL 4 2HG2 VAL 4 -12.459 2.492 6.321 32 HG23 VAL 4 3HG2 VAL 4 -12.315 4.233 6.566 33 H LYS 5 H LYS 5 -10.327 1.402 10.209 34 HA LYS 5 HA LYS 5 -7.649 2.007 10.637 35 HB2 LYS 5 2HB LYS 5 -9.748 0.578 12.194 36 HB3 LYS 5 1HB LYS 5 -8.083 0.424 12.737 37 HG2 LYS 5 2HG LYS 5 -8.507 2.284 13.895 38 HG3 LYS 5 1HG LYS 5 -8.275 3.108 12.351 39 HD2 LYS 5 2HD LYS 5 -10.891 2.354 12.192 40 HD3 LYS 5 1HD LYS 5 -10.718 2.682 13.917 41 HE2 LYS 5 2HE LYS 5 -9.614 4.874 13.205 42 HE3 LYS 5 1HE LYS 5 -10.263 4.539 11.601 43 HZ1 LYS 5 1HZ LYS 5 -11.809 4.901 14.108 44 HZ2 LYS 5 2HZ LYS 5 -12.488 4.397 12.644 45 HZ3 LYS 5 3HZ LYS 5 -11.787 5.932 12.766 46 H ALA 6 H ALA 6 -9.177 -1.008 9.757 47 HA ALA 6 HA ALA 6 -6.898 -2.660 10.231 48 HB1 ALA 6 1HB ALA 6 -9.579 -2.998 9.035 49 HB2 ALA 6 2HB ALA 6 -8.724 -3.998 10.210 50 HB3 ALA 6 3HB ALA 6 -8.330 -4.120 8.496 51 H LEU 7 H LEU 7 -7.975 -0.642 7.635 52 HA LEU 7 HA LEU 7 -6.476 -1.826 5.536 53 HB2 LEU 7 2HB LEU 7 -8.415 0.070 5.677 54 HB3 LEU 7 1HB LEU 7 -7.004 1.075 5.411 55 HG LEU 7 HG LEU 7 -8.017 -1.131 3.623 56 HD11 LEU 7 1HD1 LEU 7 -8.149 1.824 3.610 57 HD12 LEU 7 2HD1 LEU 7 -9.302 0.633 3.011 58 HD13 LEU 7 3HD1 LEU 7 -7.866 1.022 2.065 59 HD21 LEU 7 1HD2 LEU 7 -5.777 -1.378 3.264 60 HD22 LEU 7 2HD2 LEU 7 -5.406 0.279 3.741 61 HD23 LEU 7 3HD2 LEU 7 -6.104 -0.046 2.155 62 H GLU 8 H GLU 8 -5.757 0.597 7.968 63 HA GLU 8 HA GLU 8 -3.324 1.481 6.761 64 HB2 GLU 8 2HB GLU 8 -4.307 1.774 9.604 65 HB3 GLU 8 1HB GLU 8 -2.938 2.630 8.907 66 HG2 GLU 8 2HG GLU 8 -4.314 3.886 7.477 67 HG3 GLU 8 1HG GLU 8 -5.700 2.832 7.755 68 H GLU 9 H GLU 9 -4.178 -1.049 9.018 69 HA GLU 9 HA GLU 9 -1.481 -1.536 9.871 70 HB2 GLU 9 2HB GLU 9 -2.374 -3.441 11.045 71 HB3 GLU 9 1HB GLU 9 -3.467 -2.082 11.264 72 HG2 GLU 9 2HG GLU 9 -5.102 -3.007 9.940 73 HG3 GLU 9 1HG GLU 9 -3.971 -4.046 9.078 74 H LYS 10 H LYS 10 -3.470 -2.548 7.232 75 HA LYS 10 HA LYS 10 -2.123 -4.950 6.573 76 HB2 LYS 10 2HB LYS 10 -4.292 -3.423 5.558 77 HB3 LYS 10 1HB LYS 10 -3.176 -3.688 4.228 78 HG2 LYS 10 2HG LYS 10 -3.609 -5.894 4.126 79 HG3 LYS 10 1HG LYS 10 -3.762 -6.053 5.877 80 HD2 LYS 10 2HD LYS 10 -5.991 -5.593 5.861 81 HD3 LYS 10 1HD LYS 10 -5.868 -4.512 4.471 82 HE2 LYS 10 2HE LYS 10 -6.841 -6.206 3.361 83 HE3 LYS 10 1HE LYS 10 -5.214 -6.885 3.338 84 HZ1 LYS 10 1HZ LYS 10 -7.482 -7.588 5.086 85 HZ2 LYS 10 2HZ LYS 10 -5.894 -7.925 5.563 86 HZ3 LYS 10 3HZ LYS 10 -6.511 -8.605 4.142 87 H VAL 11 H VAL 11 -1.876 -1.662 5.241 88 HA VAL 11 HA VAL 11 0.285 -2.244 3.512 89 HB VAL 11 HB VAL 11 -0.426 0.463 4.642 90 HG11 VAL 11 1HG1 VAL 11 1.427 -0.494 2.591 91 HG12 VAL 11 2HG1 VAL 11 1.400 1.032 3.476 92 HG13 VAL 11 3HG1 VAL 11 0.377 0.818 2.055 93 HG21 VAL 11 1HG2 VAL 11 -2.053 -1.242 3.098 94 HG22 VAL 11 2HG2 VAL 11 -1.471 0.024 2.015 95 HG23 VAL 11 3HG2 VAL 11 -2.327 0.455 3.495 96 H LYS 12 H LYS 12 0.101 -1.338 6.847 97 HA LYS 12 HA LYS 12 2.686 -0.364 7.263 98 HB2 LYS 12 2HB LYS 12 0.601 -0.537 8.861 99 HB3 LYS 12 1HB LYS 12 1.355 -2.051 9.345 100 HG2 LYS 12 2HG LYS 12 2.985 0.444 9.306 101 HG3 LYS 12 1HG LYS 12 1.860 0.157 10.635 102 HD2 LYS 12 2HD LYS 12 3.951 -1.828 9.760 103 HD3 LYS 12 1HD LYS 12 4.209 -0.637 11.036 104 HE2 LYS 12 2HE LYS 12 1.744 -2.177 11.344 105 HE3 LYS 12 1HE LYS 12 3.204 -3.164 11.388 106 HZ1 LYS 12 1HZ LYS 12 2.381 -2.206 13.571 107 HZ2 LYS 12 2HZ LYS 12 2.943 -0.711 13.016 108 HZ3 LYS 12 3HZ LYS 12 4.022 -1.996 13.218 109 H ALA 13 H ALA 13 1.447 -3.651 7.121 110 HA ALA 13 HA ALA 13 3.985 -4.829 7.871 111 HB1 ALA 13 1HB ALA 13 2.377 -6.791 6.666 112 HB2 ALA 13 2HB ALA 13 1.274 -5.740 7.553 113 HB3 ALA 13 3HB ALA 13 2.619 -6.513 8.390 114 H LEU 14 H LEU 14 2.337 -3.803 5.061 115 HA LEU 14 HA LEU 14 3.626 -5.315 3.071 116 HB2 LEU 14 2HB LEU 14 1.527 -3.758 3.052 117 HB3 LEU 14 1HB LEU 14 2.681 -2.501 2.663 118 HG LEU 14 HG LEU 14 2.717 -4.977 1.008 119 HD11 LEU 14 1HD1 LEU 14 0.565 -2.875 0.911 120 HD12 LEU 14 2HD1 LEU 14 0.369 -4.616 1.109 121 HD13 LEU 14 3HD1 LEU 14 0.930 -3.961 -0.430 122 HD21 LEU 14 1HD2 LEU 14 3.504 -3.559 -0.663 123 HD22 LEU 14 2HD2 LEU 14 4.244 -2.916 0.804 124 HD23 LEU 14 3HD2 LEU 14 2.832 -2.121 0.106 125 H GLU 15 H GLU 15 4.596 -2.579 4.948 126 HA GLU 15 HA GLU 15 6.656 -1.665 3.190 127 HB2 GLU 15 2HB GLU 15 5.678 -0.044 4.618 128 HB3 GLU 15 1HB GLU 15 5.905 -1.049 6.040 129 HG2 GLU 15 2HG GLU 15 8.398 -0.389 4.686 130 HG3 GLU 15 1HG GLU 15 7.510 1.022 5.258 131 H GLU 16 H GLU 16 6.719 -3.279 6.369 132 HA GLU 16 HA GLU 16 9.408 -3.618 6.694 133 HB2 GLU 16 2HB GLU 16 8.854 -5.690 7.973 134 HB3 GLU 16 1HB GLU 16 7.887 -4.291 8.418 135 HG2 GLU 16 2HG GLU 16 5.977 -5.128 7.376 136 HG3 GLU 16 1HG GLU 16 6.898 -6.293 6.426 137 H LYS 17 H LYS 17 7.348 -5.274 4.431 138 HA LYS 17 HA LYS 17 9.191 -7.390 3.853 139 HB2 LYS 17 2HB LYS 17 6.788 -7.671 3.493 140 HB3 LYS 17 1HB LYS 17 6.802 -6.382 2.299 141 HG2 LYS 17 2HG LYS 17 7.736 -7.686 0.693 142 HG3 LYS 17 1HG LYS 17 8.633 -8.667 1.854 143 HD2 LYS 17 2HD LYS 17 6.959 -10.156 2.072 144 HD3 LYS 17 1HD LYS 17 5.714 -8.905 2.048 145 HE2 LYS 17 2HE LYS 17 7.082 -9.285 -0.513 146 HE3 LYS 17 1HE LYS 17 6.189 -10.700 0.043 147 HZ1 LYS 17 1HZ LYS 17 4.204 -9.628 -0.119 148 HZ2 LYS 17 2HZ LYS 17 5.037 -8.823 -1.352 149 HZ3 LYS 17 3HZ LYS 17 4.860 -8.094 0.164 150 H VAL 18 H VAL 18 8.393 -4.278 2.374 151 HA VAL 18 HA VAL 18 10.173 -4.656 0.152 152 HB VAL 18 HB VAL 18 9.047 -2.036 1.083 153 HG11 VAL 18 1HG1 VAL 18 10.863 -2.152 -0.682 154 HG12 VAL 18 2HG1 VAL 18 9.392 -1.283 -1.119 155 HG13 VAL 18 3HG1 VAL 18 9.661 -2.920 -1.720 156 HG21 VAL 18 1HG2 VAL 18 7.719 -3.861 -0.903 157 HG22 VAL 18 2HG2 VAL 18 7.067 -2.408 -0.144 158 HG23 VAL 18 3HG2 VAL 18 7.305 -3.870 0.811 159 H LYS 19 H LYS 19 10.242 -2.732 3.137 160 HA LYS 19 HA LYS 19 12.554 -1.313 2.777 161 HB2 LYS 19 2HB LYS 19 11.457 -2.579 5.284 162 HB3 LYS 19 1HB LYS 19 12.830 -1.480 5.291 163 HG2 LYS 19 2HG LYS 19 10.627 -0.345 3.826 164 HG3 LYS 19 1HG LYS 19 10.131 -0.822 5.450 165 HD2 LYS 19 2HD LYS 19 10.935 1.219 5.992 166 HD3 LYS 19 1HD LYS 19 12.477 0.364 6.015 167 HE2 LYS 19 2HE LYS 19 13.246 1.569 4.310 168 HE3 LYS 19 1HE LYS 19 11.817 1.214 3.341 169 HZ1 LYS 19 1HZ LYS 19 12.348 3.503 5.099 170 HZ2 LYS 19 2HZ LYS 19 10.748 2.999 4.885 171 HZ3 LYS 19 3HZ LYS 19 11.671 3.472 3.548 172 H ALA 20 H ALA 20 12.227 -4.721 3.453 173 HA ALA 20 HA ALA 20 15.072 -5.035 3.980 174 HB1 ALA 20 1HB ALA 20 12.732 -6.911 4.026 175 HB2 ALA 20 2HB ALA 20 13.782 -6.413 5.353 176 HB3 ALA 20 3HB ALA 20 14.392 -7.502 4.107 177 H LEU 21 H LEU 21 13.020 -5.004 1.295 178 HA LEU 21 HA LEU 21 14.276 -6.948 -0.335 179 HB2 LEU 21 2HB LEU 21 12.031 -5.378 -0.498 180 HB3 LEU 21 1HB LEU 21 13.072 -4.659 -1.707 181 HG LEU 21 HG LEU 21 12.296 -7.571 -1.610 182 HD11 LEU 21 1HD1 LEU 21 11.397 -5.857 -3.822 183 HD12 LEU 21 2HD1 LEU 21 10.638 -5.546 -2.260 184 HD13 LEU 21 3HD1 LEU 21 10.559 -7.156 -2.974 185 HD21 LEU 21 1HD2 LEU 21 14.089 -5.959 -3.357 186 HD22 LEU 21 2HD2 LEU 21 13.154 -7.270 -4.076 187 HD23 LEU 21 3HD2 LEU 21 14.278 -7.608 -2.760 188 H GLY 22 H GLY 22 14.315 -3.411 -0.786 189 HA2 GLY 22 2HA GLY 22 16.552 -2.313 -0.730 190 HA3 GLY 22 1HA GLY 22 17.118 -3.674 -1.686 191 H GLY 23 H GLY 23 16.327 -3.900 -3.868 192 HA2 GLY 23 2HA GLY 23 14.667 -2.079 -5.177 193 HA3 GLY 23 1HA GLY 23 16.305 -1.448 -5.275 194 H GLY 24 H GLY 24 14.462 -2.480 -7.368 195 HA2 GLY 24 2HA GLY 24 16.426 -4.012 -8.804 196 HA3 GLY 24 1HA GLY 24 15.017 -4.963 -8.355 197 H GLY 25 H GLY 25 14.892 -1.548 -9.159 198 HA2 GLY 25 2HA GLY 25 14.205 -0.505 -11.132 199 HA3 GLY 25 1HA GLY 25 13.993 -2.088 -11.867 200 H ARG 26 H ARG 26 12.088 -3.339 -11.211 201 HA ARG 26 HA ARG 26 9.746 -1.783 -11.370 202 HB2 ARG 26 2HB ARG 26 8.872 -3.747 -11.978 203 HB3 ARG 26 1HB ARG 26 10.433 -4.483 -11.668 204 HG2 ARG 26 2HG ARG 26 9.034 -5.815 -10.439 205 HG3 ARG 26 1HG ARG 26 9.562 -4.660 -9.217 206 HD2 ARG 26 2HD ARG 26 7.316 -4.603 -8.841 207 HD3 ARG 26 1HD ARG 26 7.432 -3.339 -10.061 208 HE ARG 26 HE ARG 26 6.346 -6.027 -10.419 209 HH11 ARG 26 1HH1 ARG 26 7.120 -2.915 -11.815 210 HH12 ARG 26 2HH1 ARG 26 6.128 -3.162 -13.211 211 HH21 ARG 26 1HH2 ARG 26 5.044 -6.341 -12.254 212 HH22 ARG 26 2HH2 ARG 26 4.950 -5.102 -13.460 213 H ILE 27 H ILE 27 11.561 -3.021 -8.686 214 HA ILE 27 HA ILE 27 9.541 -2.842 -6.708 215 HB ILE 27 HB ILE 27 12.519 -2.582 -6.288 216 HG12 ILE 27 2HG1 ILE 27 11.032 -5.158 -5.964 217 HG13 ILE 27 1HG1 ILE 27 11.523 -4.658 -7.579 218 HG21 ILE 27 1HG2 ILE 27 11.630 -3.852 -4.116 219 HG22 ILE 27 2HG2 ILE 27 10.181 -2.927 -4.510 220 HG23 ILE 27 3HG2 ILE 27 11.710 -2.094 -4.228 221 HD11 ILE 27 1HD1 ILE 27 13.506 -5.545 -7.187 222 HD12 ILE 27 2HD1 ILE 27 13.067 -5.883 -5.514 223 HD13 ILE 27 3HD1 ILE 27 13.773 -4.325 -5.942 224 H GLU 28 H GLU 28 11.718 -0.515 -8.133 225 HA GLU 28 HA GLU 28 11.727 1.484 -6.212 226 HB2 GLU 28 2HB GLU 28 12.747 1.242 -8.711 227 HB3 GLU 28 1HB GLU 28 11.453 2.393 -9.013 228 HG2 GLU 28 2HG GLU 28 12.583 3.463 -6.799 229 HG3 GLU 28 1HG GLU 28 13.985 2.725 -7.572 230 H GLU 29 H GLU 29 9.434 1.094 -8.919 231 HA GLU 29 HA GLU 29 7.787 3.262 -8.312 232 HB2 GLU 29 2HB GLU 29 7.626 2.101 -10.435 233 HB3 GLU 29 1HB GLU 29 7.105 0.628 -9.629 234 HG2 GLU 29 2HG GLU 29 5.175 1.597 -10.567 235 HG3 GLU 29 1HG GLU 29 5.090 1.901 -8.833 236 H LEU 30 H LEU 30 7.942 0.066 -6.935 237 HA LEU 30 HA LEU 30 5.423 0.136 -5.611 238 HB2 LEU 30 2HB LEU 30 7.895 -1.536 -5.342 239 HB3 LEU 30 1HB LEU 30 6.598 -1.677 -4.172 240 HG LEU 30 HG LEU 30 5.661 -1.853 -6.933 241 HD11 LEU 30 1HD1 LEU 30 7.524 -2.999 -7.597 242 HD12 LEU 30 2HD1 LEU 30 6.558 -4.319 -6.941 243 HD13 LEU 30 3HD1 LEU 30 7.859 -3.616 -5.980 244 HD21 LEU 30 1HD2 LEU 30 5.047 -2.874 -4.313 245 HD22 LEU 30 2HD2 LEU 30 5.094 -4.182 -5.494 246 HD23 LEU 30 3HD2 LEU 30 4.034 -2.798 -5.753 247 H LYS 31 H LYS 31 8.513 1.495 -4.930 248 HA LYS 31 HA LYS 31 8.160 1.715 -2.092 249 HB2 LYS 31 2HB LYS 31 10.378 1.598 -3.208 250 HB3 LYS 31 1HB LYS 31 10.082 3.187 -3.901 251 HG2 LYS 31 2HG LYS 31 10.725 4.215 -2.044 252 HG3 LYS 31 1HG LYS 31 9.705 3.188 -1.035 253 HD2 LYS 31 2HD LYS 31 11.378 1.574 -0.782 254 HD3 LYS 31 1HD LYS 31 12.287 2.168 -2.173 255 HE2 LYS 31 2HE LYS 31 11.871 3.859 0.272 256 HE3 LYS 31 1HE LYS 31 13.185 2.688 0.175 257 HZ1 LYS 31 1HZ LYS 31 14.106 3.820 -1.676 258 HZ2 LYS 31 2HZ LYS 31 13.780 4.995 -0.504 259 HZ3 LYS 31 3HZ LYS 31 12.753 4.823 -1.836 260 H LYS 32 H LYS 32 8.310 4.188 -4.667 261 HA LYS 32 HA LYS 32 7.575 6.369 -3.142 262 HB2 LYS 32 2HB LYS 32 8.335 6.199 -5.623 263 HB3 LYS 32 1HB LYS 32 6.613 6.094 -5.969 264 HG2 LYS 32 2HG LYS 32 7.463 8.297 -4.197 265 HG3 LYS 32 1HG LYS 32 7.959 8.400 -5.888 266 HD2 LYS 32 2HD LYS 32 5.477 7.837 -6.388 267 HD3 LYS 32 1HD LYS 32 5.201 8.347 -4.722 268 HE2 LYS 32 2HE LYS 32 5.360 10.498 -5.275 269 HE3 LYS 32 1HE LYS 32 6.882 10.231 -6.124 270 HZ1 LYS 32 1HZ LYS 32 5.615 10.851 -7.871 271 HZ2 LYS 32 2HZ LYS 32 4.164 10.334 -7.170 272 HZ3 LYS 32 3HZ LYS 32 5.206 9.209 -7.885 273 H LYS 33 H LYS 33 5.454 4.149 -4.916 274 HA LYS 33 HA LYS 33 3.050 5.494 -4.208 275 HB2 LYS 33 2HB LYS 33 3.549 3.814 -6.147 276 HB3 LYS 33 1HB LYS 33 3.113 2.597 -4.955 277 HG2 LYS 33 2HG LYS 33 1.291 4.908 -5.445 278 HG3 LYS 33 1HG LYS 33 1.314 3.547 -6.567 279 HD2 LYS 33 2HD LYS 33 1.211 2.697 -3.788 280 HD3 LYS 33 1HD LYS 33 -0.155 3.724 -4.230 281 HE2 LYS 33 2HE LYS 33 0.678 1.449 -5.990 282 HE3 LYS 33 1HE LYS 33 -0.329 1.161 -4.571 283 HZ1 LYS 33 1HZ LYS 33 -0.988 2.476 -7.079 284 HZ2 LYS 33 2HZ LYS 33 -1.641 3.177 -5.685 285 HZ3 LYS 33 3HZ LYS 33 -1.965 1.556 -6.047 286 H CYS 34 H CYS 34 5.007 3.116 -2.631 287 HA CYS 34 HA CYS 34 3.094 1.897 -0.979 288 HB2 CYS 34 2HB CYS 34 5.871 1.780 -1.349 289 HB3 CYS 34 1HB CYS 34 5.653 2.184 0.342 290 H GLU 35 H GLU 35 5.387 4.500 -0.104 291 HA GLU 35 HA GLU 35 4.210 4.953 2.422 292 HB2 GLU 35 2HB GLU 35 5.597 7.067 2.388 293 HB3 GLU 35 1HB GLU 35 6.478 5.559 2.191 294 HG2 GLU 35 2HG GLU 35 7.278 6.193 0.231 295 HG3 GLU 35 1HG GLU 35 5.670 6.609 -0.355 296 H GLU 36 H GLU 36 3.963 6.751 -0.637 297 HA GLU 36 HA GLU 36 2.390 8.853 0.252 298 HB2 GLU 36 2HB GLU 36 3.422 8.720 -1.991 299 HB3 GLU 36 1HB GLU 36 2.256 7.483 -2.441 300 HG2 GLU 36 2HG GLU 36 1.003 9.897 -1.412 301 HG3 GLU 36 1HG GLU 36 1.993 10.185 -2.842 302 H LEU 37 H LEU 37 1.564 5.558 -0.383 303 HA LEU 37 HA LEU 37 -1.255 5.900 -0.565 304 HB2 LEU 37 2HB LEU 37 -0.287 3.973 -1.567 305 HB3 LEU 37 1HB LEU 37 0.524 3.524 -0.083 306 HG LEU 37 HG LEU 37 -1.473 2.753 0.910 307 HD11 LEU 37 1HD1 LEU 37 -2.729 4.618 -0.923 308 HD12 LEU 37 2HD1 LEU 37 -3.322 3.955 0.600 309 HD13 LEU 37 3HD1 LEU 37 -3.545 3.055 -0.899 310 HD21 LEU 37 1HD2 LEU 37 -2.312 1.675 -1.618 311 HD22 LEU 37 2HD2 LEU 37 -1.474 0.883 -0.284 312 HD23 LEU 37 3HD2 LEU 37 -0.551 1.727 -1.528 313 H LYS 38 H LYS 38 0.977 5.116 2.055 314 HA LYS 38 HA LYS 38 -0.886 4.393 4.002 315 HB2 LYS 38 2HB LYS 38 1.922 5.089 3.908 316 HB3 LYS 38 1HB LYS 38 1.167 5.719 5.365 317 HG2 LYS 38 2HG LYS 38 0.190 3.151 5.217 318 HG3 LYS 38 1HG LYS 38 1.852 2.989 4.646 319 HD2 LYS 38 2HD LYS 38 1.511 4.676 7.030 320 HD3 LYS 38 1HD LYS 38 1.115 2.972 7.258 321 HE2 LYS 38 2HE LYS 38 3.678 3.889 5.980 322 HE3 LYS 38 1HE LYS 38 3.516 3.653 7.719 323 HZ1 LYS 38 1HZ LYS 38 2.611 1.442 6.080 324 HZ2 LYS 38 2HZ LYS 38 3.524 1.433 7.504 325 HZ3 LYS 38 3HZ LYS 38 4.275 1.742 6.020 326 H LYS 39 H LYS 39 0.584 7.591 3.435 327 HA LYS 39 HA LYS 39 -0.840 8.959 5.412 328 HB2 LYS 39 2HB LYS 39 -0.046 10.956 4.422 329 HB3 LYS 39 1HB LYS 39 1.202 9.752 4.134 330 HG2 LYS 39 2HG LYS 39 -0.236 9.478 1.879 331 HG3 LYS 39 1HG LYS 39 -0.531 11.181 2.232 332 HD2 LYS 39 2HD LYS 39 2.244 10.042 2.291 333 HD3 LYS 39 1HD LYS 39 1.503 10.561 0.775 334 HE2 LYS 39 2HE LYS 39 2.379 12.562 1.297 335 HE3 LYS 39 1HE LYS 39 0.981 12.695 2.364 336 HZ1 LYS 39 1HZ LYS 39 2.681 11.396 3.940 337 HZ2 LYS 39 2HZ LYS 39 2.566 13.083 3.892 338 HZ3 LYS 39 3HZ LYS 39 3.780 12.294 3.019 339 H LYS 40 H LYS 40 -1.759 7.991 2.199 340 HA LYS 40 HA LYS 40 -3.917 9.789 1.853 341 HB2 LYS 40 2HB LYS 40 -2.735 8.294 0.107 342 HB3 LYS 40 1HB LYS 40 -3.833 7.033 0.652 343 HG2 LYS 40 2HG LYS 40 -5.102 7.836 -1.026 344 HG3 LYS 40 1HG LYS 40 -5.608 8.984 0.216 345 HD2 LYS 40 2HD LYS 40 -4.307 10.694 -0.655 346 HD3 LYS 40 1HD LYS 40 -3.229 9.579 -1.498 347 HE2 LYS 40 2HE LYS 40 -6.052 10.326 -2.231 348 HE3 LYS 40 1HE LYS 40 -4.579 10.657 -3.141 349 HZ1 LYS 40 1HZ LYS 40 -5.378 8.841 -4.242 350 HZ2 LYS 40 2HZ LYS 40 -6.066 8.145 -2.862 351 HZ3 LYS 40 3HZ LYS 40 -4.394 8.069 -3.102 352 H ILE 41 H ILE 41 -3.588 6.803 3.608 353 HA ILE 41 HA ILE 41 -6.408 6.299 3.824 354 HB ILE 41 HB ILE 41 -4.284 5.211 5.665 355 HG12 ILE 41 2HG1 ILE 41 -5.063 4.283 2.894 356 HG13 ILE 41 1HG1 ILE 41 -3.471 4.798 3.436 357 HG21 ILE 41 1HG2 ILE 41 -6.980 4.204 4.766 358 HG22 ILE 41 2HG2 ILE 41 -6.533 4.765 6.378 359 HG23 ILE 41 3HG2 ILE 41 -5.840 3.273 5.739 360 HD11 ILE 41 1HD1 ILE 41 -3.470 2.828 4.983 361 HD12 ILE 41 2HD1 ILE 41 -3.434 2.440 3.263 362 HD13 ILE 41 3HD1 ILE 41 -4.937 2.284 4.172 363 H GLU 42 H GLU 42 -3.978 7.992 5.699 364 HA GLU 42 HA GLU 42 -5.504 8.319 8.062 365 HB2 GLU 42 2HB GLU 42 -3.033 9.490 6.920 366 HB3 GLU 42 1HB GLU 42 -3.874 10.475 8.111 367 HG2 GLU 42 2HG GLU 42 -3.626 8.846 9.787 368 HG3 GLU 42 1HG GLU 42 -3.161 7.606 8.623 369 H GLU 43 H GLU 43 -5.349 10.020 5.023 370 HA GLU 43 HA GLU 43 -6.842 12.303 5.912 371 HB2 GLU 43 2HB GLU 43 -6.747 13.050 3.658 372 HB3 GLU 43 1HB GLU 43 -5.197 12.294 3.992 373 HG2 GLU 43 2HG GLU 43 -5.497 10.703 2.454 374 HG3 GLU 43 1HG GLU 43 -7.203 10.497 2.835 375 H LEU 44 H LEU 44 -7.535 9.201 4.537 376 HA LEU 44 HA LEU 44 -10.122 9.633 3.566 377 HB2 LEU 44 2HB LEU 44 -8.635 7.232 4.559 378 HB3 LEU 44 1HB LEU 44 -10.334 7.099 4.157 379 HG LEU 44 HG LEU 44 -8.156 7.981 2.264 380 HD11 LEU 44 1HD1 LEU 44 -9.182 5.723 1.211 381 HD12 LEU 44 2HD1 LEU 44 -9.329 5.366 2.931 382 HD13 LEU 44 3HD1 LEU 44 -7.755 5.766 2.246 383 HD21 LEU 44 1HD2 LEU 44 -9.859 8.936 1.174 384 HD22 LEU 44 2HD2 LEU 44 -11.072 8.112 2.155 385 HD23 LEU 44 3HD2 LEU 44 -10.346 7.289 0.773 386 H GLY 45 H GLY 45 -12.046 8.347 4.604 387 HA2 GLY 45 2HA GLY 45 -12.174 9.071 7.467 388 HA3 GLY 45 1HA GLY 45 -13.498 9.398 6.360 389 H GLY 46 H GLY 46 -14.893 7.764 5.782 390 HA2 GLY 46 2HA GLY 46 -14.339 5.030 6.565 391 HA3 GLY 46 1HA GLY 46 -15.603 5.816 7.498 392 H GLY 47 H GLY 47 -15.135 6.632 4.150 393 HA2 GLY 47 2HA GLY 47 -16.610 4.800 2.773 394 HA3 GLY 47 1HA GLY 47 -17.825 5.814 3.538 395 H GLY 48 H GLY 48 -17.559 5.567 0.760 396 HA2 GLY 48 2HA GLY 48 -17.922 7.212 -0.890 397 HA3 GLY 48 1HA GLY 48 -17.038 8.366 0.096 398 H GLU 49 H GLU 49 -14.801 8.483 -0.054 399 HA GLU 49 HA GLU 49 -13.721 7.482 -2.549 400 HB2 GLU 49 2HB GLU 49 -13.336 9.818 -1.810 401 HB3 GLU 49 1HB GLU 49 -12.414 9.210 -0.442 402 HG2 GLU 49 2HG GLU 49 -10.584 8.882 -1.672 403 HG3 GLU 49 1HG GLU 49 -11.495 8.177 -3.007 404 H VAL 50 H VAL 50 -13.624 6.646 0.786 405 HA VAL 50 HA VAL 50 -11.149 5.450 1.081 406 HB VAL 50 HB VAL 50 -13.732 4.361 2.202 407 HG11 VAL 50 1HG1 VAL 50 -12.150 3.769 4.114 408 HG12 VAL 50 2HG1 VAL 50 -10.843 4.071 2.969 409 HG13 VAL 50 3HG1 VAL 50 -12.029 2.808 2.640 410 HG21 VAL 50 1HG2 VAL 50 -11.990 6.635 3.124 411 HG22 VAL 50 2HG2 VAL 50 -13.133 5.810 4.184 412 HG23 VAL 50 3HG2 VAL 50 -13.715 6.663 2.755 413 H LYS 51 H LYS 51 -13.917 4.353 -0.723 414 HA LYS 51 HA LYS 51 -13.175 1.625 -0.942 415 HB2 LYS 51 2HB LYS 51 -15.457 2.620 -1.407 416 HB3 LYS 51 1HB LYS 51 -14.807 3.196 -2.936 417 HG2 LYS 51 2HG LYS 51 -14.117 0.572 -3.026 418 HG3 LYS 51 1HG LYS 51 -15.635 0.504 -2.129 419 HD2 LYS 51 2HD LYS 51 -15.508 2.178 -4.590 420 HD3 LYS 51 1HD LYS 51 -15.593 0.423 -4.766 421 HE2 LYS 51 2HE LYS 51 -17.794 0.572 -4.503 422 HE3 LYS 51 1HE LYS 51 -17.510 1.069 -2.836 423 HZ1 LYS 51 1HZ LYS 51 -18.921 2.625 -4.096 424 HZ2 LYS 51 2HZ LYS 51 -17.629 2.935 -5.143 425 HZ3 LYS 51 3HZ LYS 51 -17.511 3.355 -3.509 426 H LYS 52 H LYS 52 -12.230 4.514 -2.636 427 HA LYS 52 HA LYS 52 -11.101 3.191 -4.906 428 HB2 LYS 52 2HB LYS 52 -11.779 5.469 -5.168 429 HB3 LYS 52 1HB LYS 52 -10.808 5.983 -3.796 430 HG2 LYS 52 2HG LYS 52 -9.754 6.659 -5.853 431 HG3 LYS 52 1HG LYS 52 -8.770 5.433 -5.052 432 HD2 LYS 52 2HD LYS 52 -8.739 4.545 -7.139 433 HD3 LYS 52 1HD LYS 52 -10.264 3.840 -6.600 434 HE2 LYS 52 2HE LYS 52 -9.975 6.409 -8.155 435 HE3 LYS 52 1HE LYS 52 -10.438 4.850 -8.837 436 HZ1 LYS 52 1HZ LYS 52 -11.955 6.508 -6.907 437 HZ2 LYS 52 2HZ LYS 52 -12.344 4.893 -7.225 438 HZ3 LYS 52 3HZ LYS 52 -12.419 6.040 -8.466 439 H VAL 53 H VAL 53 -9.608 4.873 -2.130 440 HA VAL 53 HA VAL 53 -6.967 4.248 -2.644 441 HB VAL 53 HB VAL 53 -8.169 4.357 0.123 442 HG11 VAL 53 1HG1 VAL 53 -5.408 4.890 -0.956 443 HG12 VAL 53 2HG1 VAL 53 -5.896 3.636 0.183 444 HG13 VAL 53 3HG1 VAL 53 -5.928 5.331 0.670 445 HG21 VAL 53 1HG2 VAL 53 -7.574 6.519 -1.855 446 HG22 VAL 53 2HG2 VAL 53 -7.419 6.834 -0.127 447 HG23 VAL 53 3HG2 VAL 53 -8.970 6.324 -0.793 448 H GLU 54 H GLU 54 -9.488 2.203 -1.380 449 HA GLU 54 HA GLU 54 -7.887 0.205 -0.208 450 HB2 GLU 54 2HB GLU 54 -10.456 0.566 -0.100 451 HB3 GLU 54 1HB GLU 54 -10.495 -0.392 -1.574 452 HG2 GLU 54 2HG GLU 54 -9.245 -2.175 -0.326 453 HG3 GLU 54 1HG GLU 54 -9.517 -1.233 1.139 454 H GLU 55 H GLU 55 -8.804 0.872 -3.504 455 HA GLU 55 HA GLU 55 -7.889 -1.666 -4.521 456 HB2 GLU 55 2HB GLU 55 -9.714 -0.492 -5.638 457 HB3 GLU 55 1HB GLU 55 -8.669 0.889 -5.940 458 HG2 GLU 55 2HG GLU 55 -8.753 -0.261 -7.968 459 HG3 GLU 55 1HG GLU 55 -7.200 -0.704 -7.261 460 H GLU 56 H GLU 56 -6.571 1.503 -3.986 461 HA GLU 56 HA GLU 56 -4.356 1.325 -5.740 462 HB2 GLU 56 2HB GLU 56 -5.007 3.019 -3.349 463 HB3 GLU 56 1HB GLU 56 -3.416 3.099 -4.091 464 HG2 GLU 56 2HG GLU 56 -4.983 3.366 -6.268 465 HG3 GLU 56 1HG GLU 56 -6.003 4.113 -5.040 466 H VAL 57 H VAL 57 -4.958 0.139 -2.522 467 HA VAL 57 HA VAL 57 -2.183 -0.400 -1.945 468 HB VAL 57 HB VAL 57 -4.597 -1.493 -0.498 469 HG11 VAL 57 1HG1 VAL 57 -1.738 -1.068 0.362 470 HG12 VAL 57 2HG1 VAL 57 -2.518 -2.617 0.039 471 HG13 VAL 57 3HG1 VAL 57 -3.044 -1.631 1.403 472 HG21 VAL 57 1HG2 VAL 57 -4.936 0.451 0.572 473 HG22 VAL 57 2HG2 VAL 57 -4.101 1.168 -0.805 474 HG23 VAL 57 3HG2 VAL 57 -3.213 0.810 0.677 475 H LYS 58 H LYS 58 -4.848 -2.044 -3.400 476 HA LYS 58 HA LYS 58 -3.825 -4.694 -3.098 477 HB2 LYS 58 2HB LYS 58 -6.145 -3.394 -4.300 478 HB3 LYS 58 1HB LYS 58 -5.560 -4.757 -5.249 479 HG2 LYS 58 2HG LYS 58 -5.571 -6.007 -2.972 480 HG3 LYS 58 1HG LYS 58 -6.669 -4.716 -2.479 481 HD2 LYS 58 2HD LYS 58 -7.711 -5.434 -4.894 482 HD3 LYS 58 1HD LYS 58 -7.107 -6.980 -4.294 483 HE2 LYS 58 2HE LYS 58 -9.430 -6.620 -3.632 484 HE3 LYS 58 1HE LYS 58 -8.366 -6.681 -2.227 485 HZ1 LYS 58 1HZ LYS 58 -10.151 -4.834 -2.418 486 HZ2 LYS 58 2HZ LYS 58 -9.025 -4.081 -3.431 487 HZ3 LYS 58 3HZ LYS 58 -8.611 -4.447 -1.833 488 H LYS 59 H LYS 59 -3.419 -2.131 -5.423 489 HA LYS 59 HA LYS 59 -2.377 -3.784 -7.511 490 HB2 LYS 59 2HB LYS 59 -3.420 -1.643 -8.021 491 HB3 LYS 59 1HB LYS 59 -2.200 -0.797 -7.079 492 HG2 LYS 59 2HG LYS 59 -1.010 -2.473 -9.118 493 HG3 LYS 59 1HG LYS 59 -2.141 -1.303 -9.799 494 HD2 LYS 59 2HD LYS 59 -0.304 -0.253 -7.746 495 HD3 LYS 59 1HD LYS 59 0.452 -0.763 -9.258 496 HE2 LYS 59 2HE LYS 59 -1.943 1.055 -9.171 497 HE3 LYS 59 1HE LYS 59 -0.288 1.662 -9.113 498 HZ1 LYS 59 1HZ LYS 59 0.139 0.930 -11.257 499 HZ2 LYS 59 2HZ LYS 59 -1.446 1.508 -11.372 500 HZ3 LYS 59 3HZ LYS 59 -1.160 -0.155 -11.270 501 H LEU 60 H LEU 60 -0.948 -1.880 -4.898 502 HA LEU 60 HA LEU 60 1.732 -2.239 -5.849 503 HB2 LEU 60 2HB LEU 60 0.977 -0.329 -4.407 504 HB3 LEU 60 1HB LEU 60 0.867 -1.453 -3.066 505 HG LEU 60 HG LEU 60 3.454 -1.510 -4.431 506 HD11 LEU 60 1HD1 LEU 60 3.819 0.702 -2.851 507 HD12 LEU 60 2HD1 LEU 60 2.301 1.043 -3.680 508 HD13 LEU 60 3HD1 LEU 60 3.753 0.678 -4.613 509 HD21 LEU 60 1HD2 LEU 60 4.291 -1.670 -2.225 510 HD22 LEU 60 2HD2 LEU 60 2.815 -2.633 -2.274 511 HD23 LEU 60 3HD2 LEU 60 2.798 -1.029 -1.539 512 H GLU 61 H GLU 61 -0.401 -4.009 -3.739 513 HA GLU 61 HA GLU 61 1.560 -5.549 -2.409 514 HB2 GLU 61 2HB GLU 61 -1.126 -5.251 -2.145 515 HB3 GLU 61 1HB GLU 61 -1.051 -6.825 -2.925 516 HG2 GLU 61 2HG GLU 61 0.663 -7.417 -1.113 517 HG3 GLU 61 1HG GLU 61 0.063 -5.984 -0.281 518 H GLU 62 H GLU 62 -0.569 -6.375 -5.143 519 HA GLU 62 HA GLU 62 0.632 -8.848 -5.720 520 HB2 GLU 62 2HB GLU 62 -1.586 -7.577 -6.589 521 HB3 GLU 62 1HB GLU 62 -0.533 -7.314 -7.972 522 HG2 GLU 62 2HG GLU 62 -0.123 -9.778 -8.023 523 HG3 GLU 62 1HG GLU 62 -1.363 -9.946 -6.781 524 H GLU 63 H GLU 63 1.513 -5.591 -6.515 525 HA GLU 63 HA GLU 63 3.147 -6.058 -8.746 526 HB2 GLU 63 2HB GLU 63 2.724 -3.889 -6.808 527 HB3 GLU 63 1HB GLU 63 4.334 -3.920 -7.510 528 HG2 GLU 63 2HG GLU 63 2.281 -4.281 -9.514 529 HG3 GLU 63 1HG GLU 63 2.065 -2.786 -8.606 530 H ILE 64 H ILE 64 3.888 -6.077 -5.275 531 HA ILE 64 HA ILE 64 6.670 -6.478 -5.542 532 HB ILE 64 HB ILE 64 4.962 -7.402 -3.232 533 HG12 ILE 64 2HG1 ILE 64 6.126 -4.669 -3.799 534 HG13 ILE 64 1HG1 ILE 64 4.421 -5.077 -3.687 535 HG21 ILE 64 1HG2 ILE 64 7.838 -6.500 -3.319 536 HG22 ILE 64 2HG2 ILE 64 7.307 -8.182 -3.293 537 HG23 ILE 64 3HG2 ILE 64 6.968 -7.128 -1.920 538 HD11 ILE 64 1HD1 ILE 64 5.689 -3.947 -1.691 539 HD12 ILE 64 2HD1 ILE 64 6.150 -5.611 -1.333 540 HD13 ILE 64 3HD1 ILE 64 4.446 -5.165 -1.411 541 H LYS 65 H LYS 65 3.958 -8.621 -5.789 542 HA LYS 65 HA LYS 65 5.283 -11.052 -5.213 543 HB2 LYS 65 2HB LYS 65 2.699 -10.226 -6.316 544 HB3 LYS 65 1HB LYS 65 3.290 -11.739 -6.988 545 HG2 LYS 65 2HG LYS 65 2.500 -12.772 -5.199 546 HG3 LYS 65 1HG LYS 65 3.713 -11.932 -4.232 547 HD2 LYS 65 2HD LYS 65 1.819 -10.003 -4.485 548 HD3 LYS 65 1HD LYS 65 0.821 -11.459 -4.470 549 HE2 LYS 65 2HE LYS 65 2.951 -11.394 -2.447 550 HE3 LYS 65 1HE LYS 65 1.703 -10.163 -2.250 551 HZ1 LYS 65 1HZ LYS 65 0.669 -11.820 -1.163 552 HZ2 LYS 65 2HZ LYS 65 1.524 -13.046 -1.954 553 HZ3 LYS 65 3HZ LYS 65 0.206 -12.308 -2.715 554 H LYS 66 H LYS 66 5.046 -9.081 -8.086 555 HA LYS 66 HA LYS 66 5.893 -11.002 -9.971 556 HB2 LYS 66 2HB LYS 66 5.950 -7.995 -9.914 557 HB3 LYS 66 1HB LYS 66 6.643 -8.892 -11.257 558 HG2 LYS 66 2HG LYS 66 3.905 -9.655 -10.491 559 HG3 LYS 66 1HG LYS 66 4.098 -8.040 -11.175 560 HD2 LYS 66 2HD LYS 66 3.926 -9.099 -13.150 561 HD3 LYS 66 1HD LYS 66 5.618 -9.520 -12.874 562 HE2 LYS 66 2HE LYS 66 4.464 -11.521 -13.465 563 HE3 LYS 66 1HE LYS 66 4.825 -11.604 -11.741 564 HZ1 LYS 66 1HZ LYS 66 2.666 -12.154 -11.610 565 HZ2 LYS 66 2HZ LYS 66 2.264 -11.442 -13.090 566 HZ3 LYS 66 3HZ LYS 66 2.406 -10.485 -11.703 567 H LEU 67 H LEU 67 7.767 -8.323 -8.536 568 HA LEU 67 HA LEU 67 10.261 -9.100 -9.460 569 HB2 LEU 67 2HB LEU 67 11.108 -7.797 -7.455 570 HB3 LEU 67 1HB LEU 67 10.077 -6.939 -8.579 571 HG LEU 67 HG LEU 67 8.287 -7.914 -6.716 572 HD11 LEU 67 1HD1 LEU 67 9.631 -8.562 -5.002 573 HD12 LEU 67 2HD1 LEU 67 9.499 -6.847 -4.616 574 HD13 LEU 67 3HD1 LEU 67 10.929 -7.455 -5.451 575 HD21 LEU 67 1HD2 LEU 67 8.686 -5.419 -5.823 576 HD22 LEU 67 2HD2 LEU 67 7.830 -5.788 -7.320 577 HD23 LEU 67 3HD2 LEU 67 9.529 -5.320 -7.369 578 H6 HTS 101 H6 HTS 68 7.832 3.300 3.750 579 H3 HTS 101 H3 HTS 68 7.788 -0.925 1.210 580 H4 HTS 101 H4 HTS 68 9.931 0.167 1.748 581 H5 HTS 101 H5 HTS 68 9.951 2.271 3.024 582 HO1 HTS 101 HO1 HTS 68 5.415 2.388 4.248 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -16.833 3.812 12.156 2 H2 GLY 1 2H GLY 1 -18.407 3.908 11.545 3 H3 GLY 1 3H GLY 1 -17.093 3.811 10.485 4 HA2 GLY 1 1HA GLY 1 -18.152 1.699 12.270 5 HA3 GLY 1 2HA GLY 1 -18.065 1.675 10.515 6 H SER 2 H SER 2 -16.893 -0.254 10.484 7 HA SER 2 HA SER 2 -14.063 0.070 11.202 8 HB2 SER 2 2HB SER 2 -15.484 -1.419 12.811 9 HB3 SER 2 1HB SER 2 -15.394 -2.603 11.508 10 HG SER 2 HG SER 2 -13.241 -1.411 12.914 11 H ARG 3 H ARG 3 -12.851 -0.135 9.450 12 HA ARG 3 HA ARG 3 -12.966 -2.314 7.684 13 HB2 ARG 3 2HB ARG 3 -15.045 -0.987 7.007 14 HB3 ARG 3 1HB ARG 3 -13.936 0.229 6.389 15 HG2 ARG 3 2HG ARG 3 -12.943 -1.471 4.908 16 HG3 ARG 3 1HG ARG 3 -14.133 -2.638 5.488 17 HD2 ARG 3 2HD ARG 3 -14.983 -0.011 4.323 18 HD3 ARG 3 1HD ARG 3 -14.596 -1.379 3.283 19 HE ARG 3 HE ARG 3 -16.354 -2.430 5.045 20 HH11 ARG 3 1HH1 ARG 3 -16.433 0.403 3.010 21 HH12 ARG 3 2HH1 ARG 3 -18.153 0.370 2.816 22 HH21 ARG 3 1HH2 ARG 3 -18.617 -2.477 4.791 23 HH22 ARG 3 2HH2 ARG 3 -19.393 -1.265 3.828 24 H VAL 4 H VAL 4 -12.336 1.190 7.410 25 HA VAL 4 HA VAL 4 -9.937 0.862 5.941 26 HB VAL 4 HB VAL 4 -11.242 2.942 5.877 27 HG11 VAL 4 1HG1 VAL 4 -10.168 3.953 8.422 28 HG12 VAL 4 2HG1 VAL 4 -11.432 2.731 8.565 29 HG13 VAL 4 3HG1 VAL 4 -11.739 4.217 7.665 30 HG21 VAL 4 1HG2 VAL 4 -8.752 2.840 5.401 31 HG22 VAL 4 2HG2 VAL 4 -8.519 3.554 6.997 32 HG23 VAL 4 3HG2 VAL 4 -9.418 4.433 5.761 33 H LYS 5 H LYS 5 -10.661 0.902 9.344 34 HA LYS 5 HA LYS 5 -8.201 1.574 10.438 35 HB2 LYS 5 2HB LYS 5 -10.534 -0.026 11.324 36 HB3 LYS 5 1HB LYS 5 -9.035 -0.277 12.207 37 HG2 LYS 5 2HG LYS 5 -8.915 2.145 12.639 38 HG3 LYS 5 1HG LYS 5 -10.463 2.345 11.816 39 HD2 LYS 5 2HD LYS 5 -10.300 0.359 14.021 40 HD3 LYS 5 1HD LYS 5 -10.300 2.072 14.448 41 HE2 LYS 5 2HE LYS 5 -12.319 1.968 12.629 42 HE3 LYS 5 1HE LYS 5 -12.456 0.382 13.387 43 HZ1 LYS 5 1HZ LYS 5 -13.791 1.776 14.669 44 HZ2 LYS 5 2HZ LYS 5 -12.671 3.044 14.653 45 HZ3 LYS 5 3HZ LYS 5 -12.363 1.655 15.568 46 H ALA 6 H ALA 6 -9.287 -1.450 9.030 47 HA ALA 6 HA ALA 6 -6.956 -2.924 9.855 48 HB1 ALA 6 1HB ALA 6 -8.647 -4.414 9.606 49 HB2 ALA 6 2HB ALA 6 -8.002 -4.498 7.967 50 HB3 ALA 6 3HB ALA 6 -9.414 -3.498 8.309 51 H LEU 7 H LEU 7 -7.886 -0.976 7.144 52 HA LEU 7 HA LEU 7 -6.124 -1.971 5.196 53 HB2 LEU 7 2HB LEU 7 -8.054 -0.072 5.244 54 HB3 LEU 7 1HB LEU 7 -6.624 0.940 5.225 55 HG LEU 7 HG LEU 7 -7.040 -1.248 3.206 56 HD11 LEU 7 1HD1 LEU 7 -8.332 1.388 3.395 57 HD12 LEU 7 2HD1 LEU 7 -8.830 -0.067 2.531 58 HD13 LEU 7 3HD1 LEU 7 -7.612 1.000 1.833 59 HD21 LEU 7 1HD2 LEU 7 -5.088 -0.576 2.385 60 HD22 LEU 7 2HD2 LEU 7 -4.899 0.451 3.806 61 HD23 LEU 7 3HD2 LEU 7 -5.627 1.103 2.339 62 H GLU 8 H GLU 8 -5.632 0.171 7.907 63 HA GLU 8 HA GLU 8 -3.118 1.206 7.050 64 HB2 GLU 8 2HB GLU 8 -4.518 1.126 9.715 65 HB3 GLU 8 1HB GLU 8 -2.916 1.825 9.521 66 HG2 GLU 8 2HG GLU 8 -3.763 3.463 7.978 67 HG3 GLU 8 1HG GLU 8 -5.358 2.711 8.003 68 H GLU 9 H GLU 9 -4.120 -1.592 8.909 69 HA GLU 9 HA GLU 9 -1.476 -2.230 9.820 70 HB2 GLU 9 2HB GLU 9 -2.445 -4.219 10.748 71 HB3 GLU 9 1HB GLU 9 -3.551 -2.883 11.038 72 HG2 GLU 9 2HG GLU 9 -5.178 -3.793 9.802 73 HG3 GLU 9 1HG GLU 9 -4.062 -4.368 8.566 74 H LYS 10 H LYS 10 -3.234 -2.773 6.929 75 HA LYS 10 HA LYS 10 -1.835 -5.149 6.131 76 HB2 LYS 10 2HB LYS 10 -4.022 -3.522 5.142 77 HB3 LYS 10 1HB LYS 10 -2.936 -3.992 3.844 78 HG2 LYS 10 2HG LYS 10 -3.180 -6.360 5.025 79 HG3 LYS 10 1HG LYS 10 -4.716 -5.651 5.529 80 HD2 LYS 10 2HD LYS 10 -3.990 -5.314 2.685 81 HD3 LYS 10 1HD LYS 10 -4.373 -6.957 3.202 82 HE2 LYS 10 2HE LYS 10 -6.500 -6.357 2.815 83 HE3 LYS 10 1HE LYS 10 -6.378 -5.541 4.373 84 HZ1 LYS 10 1HZ LYS 10 -7.067 -3.802 3.135 85 HZ2 LYS 10 2HZ LYS 10 -6.439 -4.416 1.689 86 HZ3 LYS 10 3HZ LYS 10 -5.415 -3.653 2.798 87 H VAL 11 H VAL 11 -1.631 -1.705 5.303 88 HA VAL 11 HA VAL 11 0.466 -2.106 3.394 89 HB VAL 11 HB VAL 11 -0.308 0.503 4.689 90 HG11 VAL 11 1HG1 VAL 11 0.514 0.437 1.879 91 HG12 VAL 11 2HG1 VAL 11 1.771 -0.051 3.015 92 HG13 VAL 11 3HG1 VAL 11 0.998 1.525 3.180 93 HG21 VAL 11 1HG2 VAL 11 -1.445 0.100 2.075 94 HG22 VAL 11 2HG2 VAL 11 -2.240 0.529 3.589 95 HG23 VAL 11 3HG2 VAL 11 -1.975 -1.166 3.184 96 H LYS 12 H LYS 12 0.346 -1.395 6.787 97 HA LYS 12 HA LYS 12 2.950 -0.372 7.101 98 HB2 LYS 12 2HB LYS 12 2.692 -0.773 9.446 99 HB3 LYS 12 1HB LYS 12 1.130 -0.264 8.824 100 HG2 LYS 12 2HG LYS 12 0.265 -2.458 8.934 101 HG3 LYS 12 1HG LYS 12 1.862 -3.152 9.213 102 HD2 LYS 12 2HD LYS 12 1.717 -1.441 11.290 103 HD3 LYS 12 1HD LYS 12 0.007 -1.831 11.092 104 HE2 LYS 12 2HE LYS 12 1.150 -4.292 10.901 105 HE3 LYS 12 1HE LYS 12 2.232 -3.495 12.042 106 HZ1 LYS 12 1HZ LYS 12 0.473 -3.102 13.524 107 HZ2 LYS 12 2HZ LYS 12 0.261 -4.700 13.014 108 HZ3 LYS 12 3HZ LYS 12 -0.710 -3.474 12.373 109 H ALA 13 H ALA 13 1.677 -3.628 6.948 110 HA ALA 13 HA ALA 13 4.214 -4.857 7.621 111 HB1 ALA 13 1HB ALA 13 1.503 -5.865 6.864 112 HB2 ALA 13 2HB ALA 13 2.472 -6.217 8.295 113 HB3 ALA 13 3HB ALA 13 2.895 -6.941 6.743 114 H LEU 14 H LEU 14 2.463 -3.811 4.860 115 HA LEU 14 HA LEU 14 3.703 -5.287 2.820 116 HB2 LEU 14 2HB LEU 14 1.617 -3.721 2.866 117 HB3 LEU 14 1HB LEU 14 2.767 -2.459 2.482 118 HG LEU 14 HG LEU 14 2.696 -4.919 0.786 119 HD11 LEU 14 1HD1 LEU 14 0.887 -2.628 0.168 120 HD12 LEU 14 2HD1 LEU 14 0.339 -3.910 1.247 121 HD13 LEU 14 3HD1 LEU 14 0.826 -4.295 -0.405 122 HD21 LEU 14 1HD2 LEU 14 4.428 -3.369 0.284 123 HD22 LEU 14 2HD2 LEU 14 3.312 -2.006 0.346 124 HD23 LEU 14 3HD2 LEU 14 3.193 -3.185 -0.960 125 H GLU 15 H GLU 15 4.734 -2.566 4.699 126 HA GLU 15 HA GLU 15 6.773 -1.672 2.900 127 HB2 GLU 15 2HB GLU 15 5.847 -0.051 4.379 128 HB3 GLU 15 1HB GLU 15 6.131 -1.068 5.784 129 HG2 GLU 15 2HG GLU 15 8.497 -0.728 5.626 130 HG3 GLU 15 1HG GLU 15 8.314 0.131 4.096 131 H GLU 16 H GLU 16 6.724 -3.592 5.886 132 HA GLU 16 HA GLU 16 9.439 -3.920 6.277 133 HB2 GLU 16 2HB GLU 16 7.190 -5.877 6.761 134 HB3 GLU 16 1HB GLU 16 8.829 -6.102 7.357 135 HG2 GLU 16 2HG GLU 16 7.635 -3.513 8.029 136 HG3 GLU 16 1HG GLU 16 6.818 -4.909 8.732 137 H LYS 17 H LYS 17 7.372 -5.386 3.892 138 HA LYS 17 HA LYS 17 9.211 -7.451 3.143 139 HB2 LYS 17 2HB LYS 17 6.572 -7.134 2.761 140 HB3 LYS 17 1HB LYS 17 7.152 -6.527 1.216 141 HG2 LYS 17 2HG LYS 17 7.592 -8.574 0.473 142 HG3 LYS 17 1HG LYS 17 8.450 -9.009 1.952 143 HD2 LYS 17 2HD LYS 17 5.521 -8.821 2.196 144 HD3 LYS 17 1HD LYS 17 6.112 -10.124 1.163 145 HE2 LYS 17 2HE LYS 17 7.619 -10.817 3.030 146 HE3 LYS 17 1HE LYS 17 6.829 -9.611 4.047 147 HZ1 LYS 17 1HZ LYS 17 5.749 -11.624 4.496 148 HZ2 LYS 17 2HZ LYS 17 5.653 -12.055 2.863 149 HZ3 LYS 17 3HZ LYS 17 4.692 -10.800 3.463 150 H VAL 18 H VAL 18 8.290 -4.306 1.768 151 HA VAL 18 HA VAL 18 10.057 -4.486 -0.452 152 HB VAL 18 HB VAL 18 9.116 -1.880 0.680 153 HG11 VAL 18 1HG1 VAL 18 9.271 -1.087 -1.514 154 HG12 VAL 18 2HG1 VAL 18 9.272 -2.713 -2.196 155 HG13 VAL 18 3HG1 VAL 18 10.686 -2.121 -1.326 156 HG21 VAL 18 1HG2 VAL 18 7.469 -4.081 -0.339 157 HG22 VAL 18 2HG2 VAL 18 7.174 -2.527 -1.118 158 HG23 VAL 18 3HG2 VAL 18 7.016 -2.679 0.631 159 H LYS 19 H LYS 19 10.231 -2.637 2.591 160 HA LYS 19 HA LYS 19 12.644 -1.381 2.225 161 HB2 LYS 19 2HB LYS 19 11.345 -2.469 4.710 162 HB3 LYS 19 1HB LYS 19 12.872 -1.601 4.776 163 HG2 LYS 19 2HG LYS 19 11.016 -0.097 3.217 164 HG3 LYS 19 1HG LYS 19 10.264 -0.544 4.748 165 HD2 LYS 19 2HD LYS 19 13.027 0.374 5.021 166 HD3 LYS 19 1HD LYS 19 11.937 1.594 4.358 167 HE2 LYS 19 2HE LYS 19 10.570 0.361 6.491 168 HE3 LYS 19 1HE LYS 19 12.208 0.683 7.060 169 HZ1 LYS 19 1HZ LYS 19 11.345 2.696 7.491 170 HZ2 LYS 19 2HZ LYS 19 10.088 2.538 6.371 171 HZ3 LYS 19 3HZ LYS 19 11.634 2.983 5.849 172 H ALA 20 H ALA 20 12.058 -4.735 3.001 173 HA ALA 20 HA ALA 20 14.869 -5.251 3.536 174 HB1 ALA 20 1HB ALA 20 13.733 -6.630 4.925 175 HB2 ALA 20 2HB ALA 20 13.794 -7.702 3.526 176 HB3 ALA 20 3HB ALA 20 12.343 -6.752 3.846 177 H LEU 21 H LEU 21 12.818 -5.140 0.847 178 HA LEU 21 HA LEU 21 13.855 -7.224 -0.736 179 HB2 LEU 21 2HB LEU 21 11.842 -5.387 -0.972 180 HB3 LEU 21 1HB LEU 21 12.999 -4.797 -2.149 181 HG LEU 21 HG LEU 21 11.936 -7.619 -2.102 182 HD11 LEU 21 1HD1 LEU 21 10.118 -6.961 -3.186 183 HD12 LEU 21 2HD1 LEU 21 11.073 -6.026 -4.336 184 HD13 LEU 21 3HD1 LEU 21 10.559 -5.294 -2.816 185 HD21 LEU 21 1HD2 LEU 21 13.772 -7.889 -3.379 186 HD22 LEU 21 2HD2 LEU 21 13.925 -6.164 -3.711 187 HD23 LEU 21 3HD2 LEU 21 12.773 -7.140 -4.623 188 H GLY 22 H GLY 22 14.407 -3.732 -1.222 189 HA2 GLY 22 2HA GLY 22 17.025 -3.376 -1.054 190 HA3 GLY 22 1HA GLY 22 16.950 -4.353 -2.513 191 H GLY 23 H GLY 23 17.177 -3.132 -4.260 192 HA2 GLY 23 2HA GLY 23 15.402 -0.920 -4.736 193 HA3 GLY 23 1HA GLY 23 17.065 -0.415 -4.475 194 H GLY 24 H GLY 24 15.806 0.130 -6.855 195 HA2 GLY 24 2HA GLY 24 17.481 -0.351 -8.836 196 HA3 GLY 24 1HA GLY 24 16.672 -1.909 -8.763 197 H GLY 25 H GLY 25 15.005 -2.153 -10.091 198 HA2 GLY 25 2HA GLY 25 13.747 0.272 -11.187 199 HA3 GLY 25 1HA GLY 25 13.766 -1.304 -11.964 200 H ARG 26 H ARG 26 12.793 -3.035 -10.243 201 HA ARG 26 HA ARG 26 10.034 -2.529 -10.204 202 HB2 ARG 26 2HB ARG 26 11.621 -4.744 -9.874 203 HB3 ARG 26 1HB ARG 26 10.967 -4.523 -8.259 204 HG2 ARG 26 2HG ARG 26 9.432 -4.931 -10.814 205 HG3 ARG 26 1HG ARG 26 9.550 -6.027 -9.436 206 HD2 ARG 26 2HD ARG 26 7.947 -4.958 -8.301 207 HD3 ARG 26 1HD ARG 26 8.565 -3.367 -8.733 208 HE ARG 26 HE ARG 26 6.697 -4.988 -10.321 209 HH11 ARG 26 1HH1 ARG 26 8.263 -1.920 -9.701 210 HH12 ARG 26 2HH1 ARG 26 7.247 -1.048 -10.793 211 HH21 ARG 26 1HH2 ARG 26 5.367 -3.828 -11.751 212 HH22 ARG 26 2HH2 ARG 26 5.606 -2.125 -11.952 213 H ILE 27 H ILE 27 12.202 -2.938 -7.409 214 HA ILE 27 HA ILE 27 10.469 -2.185 -5.414 215 HB ILE 27 HB ILE 27 13.433 -1.608 -5.492 216 HG12 ILE 27 2HG1 ILE 27 12.292 -3.952 -4.061 217 HG13 ILE 27 1HG1 ILE 27 12.367 -4.043 -5.817 218 HG21 ILE 27 1HG2 ILE 27 11.368 -1.368 -3.399 219 HG22 ILE 27 2HG2 ILE 27 12.887 -0.495 -3.603 220 HG23 ILE 27 3HG2 ILE 27 12.889 -2.117 -2.911 221 HD11 ILE 27 1HD1 ILE 27 14.510 -4.152 -3.823 222 HD12 ILE 27 2HD1 ILE 27 14.860 -3.172 -5.248 223 HD13 ILE 27 3HD1 ILE 27 14.410 -4.868 -5.432 224 H GLU 28 H GLU 28 12.163 -0.124 -7.668 225 HA GLU 28 HA GLU 28 12.031 2.301 -6.287 226 HB2 GLU 28 2HB GLU 28 12.396 1.463 -9.089 227 HB3 GLU 28 1HB GLU 28 11.788 3.098 -8.874 228 HG2 GLU 28 2HG GLU 28 14.301 1.977 -7.656 229 HG3 GLU 28 1HG GLU 28 14.213 3.059 -9.046 230 H GLU 29 H GLU 29 9.765 1.102 -8.787 231 HA GLU 29 HA GLU 29 7.933 3.203 -8.579 232 HB2 GLU 29 2HB GLU 29 7.881 1.684 -10.458 233 HB3 GLU 29 1HB GLU 29 7.509 0.328 -9.404 234 HG2 GLU 29 2HG GLU 29 5.339 0.712 -9.601 235 HG3 GLU 29 1HG GLU 29 5.545 2.368 -9.031 236 H LEU 30 H LEU 30 7.698 -0.043 -7.162 237 HA LEU 30 HA LEU 30 5.380 0.267 -5.722 238 HB2 LEU 30 2HB LEU 30 7.795 -1.339 -4.911 239 HB3 LEU 30 1HB LEU 30 6.157 -1.573 -4.326 240 HG LEU 30 HG LEU 30 6.913 -1.855 -7.225 241 HD11 LEU 30 1HD1 LEU 30 6.379 -4.380 -6.170 242 HD12 LEU 30 2HD1 LEU 30 7.480 -3.620 -5.020 243 HD13 LEU 30 3HD1 LEU 30 7.936 -3.757 -6.717 244 HD21 LEU 30 1HD2 LEU 30 4.570 -3.078 -5.820 245 HD22 LEU 30 2HD2 LEU 30 4.800 -2.768 -7.541 246 HD23 LEU 30 3HD2 LEU 30 4.503 -1.427 -6.436 247 H LYS 31 H LYS 31 8.452 1.681 -5.057 248 HA LYS 31 HA LYS 31 8.049 2.035 -2.244 249 HB2 LYS 31 2HB LYS 31 10.291 1.925 -3.268 250 HB3 LYS 31 1HB LYS 31 9.971 3.436 -4.106 251 HG2 LYS 31 2HG LYS 31 10.478 4.662 -2.320 252 HG3 LYS 31 1HG LYS 31 9.536 3.633 -1.239 253 HD2 LYS 31 2HD LYS 31 11.881 2.229 -2.116 254 HD3 LYS 31 1HD LYS 31 12.339 3.804 -1.466 255 HE2 LYS 31 2HE LYS 31 10.509 2.961 0.369 256 HE3 LYS 31 1HE LYS 31 11.261 1.438 -0.108 257 HZ1 LYS 31 1HZ LYS 31 13.214 2.007 0.827 258 HZ2 LYS 31 2HZ LYS 31 12.248 3.023 1.773 259 HZ3 LYS 31 3HZ LYS 31 13.073 3.647 0.434 260 H LYS 32 H LYS 32 8.163 4.408 -4.918 261 HA LYS 32 HA LYS 32 7.397 6.640 -3.501 262 HB2 LYS 32 2HB LYS 32 7.724 5.937 -6.222 263 HB3 LYS 32 1HB LYS 32 6.168 6.744 -6.088 264 HG2 LYS 32 2HG LYS 32 7.164 8.713 -5.980 265 HG3 LYS 32 1HG LYS 32 8.090 8.201 -4.568 266 HD2 LYS 32 2HD LYS 32 9.555 6.974 -6.370 267 HD3 LYS 32 1HD LYS 32 8.847 8.172 -7.454 268 HE2 LYS 32 2HE LYS 32 10.050 9.854 -6.577 269 HE3 LYS 32 1HE LYS 32 9.844 9.269 -4.927 270 HZ1 LYS 32 1HZ LYS 32 11.723 8.070 -6.886 271 HZ2 LYS 32 2HZ LYS 32 11.602 7.710 -5.238 272 HZ3 LYS 32 3HZ LYS 32 12.169 9.225 -5.732 273 H LYS 33 H LYS 33 5.316 4.181 -4.928 274 HA LYS 33 HA LYS 33 2.893 5.579 -4.274 275 HB2 LYS 33 2HB LYS 33 3.042 4.138 -6.255 276 HB3 LYS 33 1HB LYS 33 3.309 2.742 -5.220 277 HG2 LYS 33 2HG LYS 33 1.058 3.307 -4.165 278 HG3 LYS 33 1HG LYS 33 0.817 4.376 -5.548 279 HD2 LYS 33 2HD LYS 33 0.665 2.639 -7.037 280 HD3 LYS 33 1HD LYS 33 1.669 1.568 -6.056 281 HE2 LYS 33 2HE LYS 33 -0.598 0.764 -6.027 282 HE3 LYS 33 1HE LYS 33 -0.189 1.389 -4.430 283 HZ1 LYS 33 1HZ LYS 33 -1.624 3.113 -4.634 284 HZ2 LYS 33 2HZ LYS 33 -2.423 2.023 -5.652 285 HZ3 LYS 33 3HZ LYS 33 -1.446 3.234 -6.313 286 H CYS 34 H CYS 34 4.911 3.243 -2.707 287 HA CYS 34 HA CYS 34 3.032 2.030 -1.009 288 HB2 CYS 34 2HB CYS 34 5.806 1.919 -1.418 289 HB3 CYS 34 1HB CYS 34 5.607 2.338 0.274 290 H GLU 35 H GLU 35 5.328 4.656 -0.219 291 HA GLU 35 HA GLU 35 4.198 5.153 2.319 292 HB2 GLU 35 2HB GLU 35 5.560 7.285 2.203 293 HB3 GLU 35 1HB GLU 35 6.451 5.779 2.039 294 HG2 GLU 35 2HG GLU 35 7.206 6.346 0.039 295 HG3 GLU 35 1HG GLU 35 5.588 6.758 -0.521 296 H GLU 36 H GLU 36 3.885 6.901 -0.766 297 HA GLU 36 HA GLU 36 2.309 9.001 0.112 298 HB2 GLU 36 2HB GLU 36 3.332 8.679 -2.185 299 HB3 GLU 36 1HB GLU 36 1.969 7.631 -2.555 300 HG2 GLU 36 2HG GLU 36 0.919 10.029 -1.498 301 HG3 GLU 36 1HG GLU 36 2.140 10.467 -2.691 302 H LEU 37 H LEU 37 1.486 5.689 -0.441 303 HA LEU 37 HA LEU 37 -1.328 5.999 -0.607 304 HB2 LEU 37 2HB LEU 37 -0.404 4.022 -1.507 305 HB3 LEU 37 1HB LEU 37 0.490 3.675 -0.040 306 HG LEU 37 HG LEU 37 -1.436 2.917 1.090 307 HD11 LEU 37 1HD1 LEU 37 -2.816 4.697 -0.711 308 HD12 LEU 37 2HD1 LEU 37 -3.351 4.013 0.823 309 HD13 LEU 37 3HD1 LEU 37 -3.589 3.112 -0.674 310 HD21 LEU 37 1HD2 LEU 37 -0.532 1.693 -1.168 311 HD22 LEU 37 2HD2 LEU 37 -2.264 1.790 -1.482 312 HD23 LEU 37 3HD2 LEU 37 -1.675 0.989 -0.025 313 H LYS 38 H LYS 38 0.894 5.294 2.060 314 HA LYS 38 HA LYS 38 -1.005 4.743 4.032 315 HB2 LYS 38 2HB LYS 38 1.781 5.878 4.173 316 HB3 LYS 38 1HB LYS 38 0.827 5.575 5.619 317 HG2 LYS 38 2HG LYS 38 0.569 3.187 4.530 318 HG3 LYS 38 1HG LYS 38 2.066 3.656 3.722 319 HD2 LYS 38 2HD LYS 38 2.017 4.215 6.600 320 HD3 LYS 38 1HD LYS 38 1.913 2.503 6.190 321 HE2 LYS 38 2HE LYS 38 3.884 3.239 4.528 322 HE3 LYS 38 1HE LYS 38 4.132 4.421 5.812 323 HZ1 LYS 38 1HZ LYS 38 4.071 2.448 7.372 324 HZ2 LYS 38 2HZ LYS 38 5.439 2.587 6.388 325 HZ3 LYS 38 3HZ LYS 38 4.229 1.471 6.000 326 H LYS 39 H LYS 39 0.694 7.830 3.463 327 HA LYS 39 HA LYS 39 -0.670 9.380 5.298 328 HB2 LYS 39 2HB LYS 39 0.054 11.308 4.015 329 HB3 LYS 39 1HB LYS 39 1.339 10.109 4.057 330 HG2 LYS 39 2HG LYS 39 0.615 9.353 1.799 331 HG3 LYS 39 1HG LYS 39 -0.513 10.710 1.765 332 HD2 LYS 39 2HD LYS 39 2.397 11.154 2.320 333 HD3 LYS 39 1HD LYS 39 1.814 10.981 0.664 334 HE2 LYS 39 2HE LYS 39 1.546 13.216 0.814 335 HE3 LYS 39 1HE LYS 39 0.035 12.768 1.604 336 HZ1 LYS 39 1HZ LYS 39 1.163 14.397 2.922 337 HZ2 LYS 39 2HZ LYS 39 2.586 13.483 2.942 338 HZ3 LYS 39 3HZ LYS 39 1.211 12.921 3.749 339 H LYS 40 H LYS 40 -1.709 8.242 2.180 340 HA LYS 40 HA LYS 40 -3.847 10.084 1.824 341 HB2 LYS 40 2HB LYS 40 -2.649 8.353 0.173 342 HB3 LYS 40 1HB LYS 40 -4.022 7.361 0.642 343 HG2 LYS 40 2HG LYS 40 -5.207 8.389 -0.919 344 HG3 LYS 40 1HG LYS 40 -5.106 9.860 0.050 345 HD2 LYS 40 2HD LYS 40 -2.795 9.189 -1.691 346 HD3 LYS 40 1HD LYS 40 -4.270 9.769 -2.469 347 HE2 LYS 40 2HE LYS 40 -4.210 11.807 -1.273 348 HE3 LYS 40 1HE LYS 40 -2.984 11.203 -0.159 349 HZ1 LYS 40 1HZ LYS 40 -1.635 12.357 -1.523 350 HZ2 LYS 40 2HZ LYS 40 -2.685 12.272 -2.846 351 HZ3 LYS 40 3HZ LYS 40 -1.699 10.952 -2.464 352 H ILE 41 H ILE 41 -3.474 7.141 3.630 353 HA ILE 41 HA ILE 41 -6.269 6.586 3.911 354 HB ILE 41 HB ILE 41 -4.105 5.667 5.797 355 HG12 ILE 41 2HG1 ILE 41 -4.877 4.535 3.099 356 HG13 ILE 41 1HG1 ILE 41 -3.303 5.165 3.573 357 HG21 ILE 41 1HG2 ILE 41 -5.591 4.141 6.556 358 HG22 ILE 41 2HG2 ILE 41 -6.353 3.935 4.979 359 HG23 ILE 41 3HG2 ILE 41 -6.759 5.331 5.979 360 HD11 ILE 41 1HD1 ILE 41 -4.043 3.081 5.368 361 HD12 ILE 41 2HD1 ILE 41 -2.682 3.159 4.249 362 HD13 ILE 41 3HD1 ILE 41 -4.233 2.516 3.708 363 H GLU 42 H GLU 42 -3.894 8.469 5.658 364 HA GLU 42 HA GLU 42 -5.413 8.862 8.020 365 HB2 GLU 42 2HB GLU 42 -3.129 10.384 6.771 366 HB3 GLU 42 1HB GLU 42 -3.870 10.883 8.286 367 HG2 GLU 42 2HG GLU 42 -3.375 8.283 8.812 368 HG3 GLU 42 1HG GLU 42 -2.048 8.654 7.712 369 H GLU 43 H GLU 43 -5.262 10.482 4.920 370 HA GLU 43 HA GLU 43 -6.813 12.750 5.712 371 HB2 GLU 43 2HB GLU 43 -6.788 13.377 3.415 372 HB3 GLU 43 1HB GLU 43 -5.211 12.690 3.767 373 HG2 GLU 43 2HG GLU 43 -5.464 11.064 2.273 374 HG3 GLU 43 1HG GLU 43 -7.117 10.726 2.773 375 H LEU 44 H LEU 44 -7.490 9.570 4.516 376 HA LEU 44 HA LEU 44 -10.086 9.901 3.553 377 HB2 LEU 44 2HB LEU 44 -8.413 7.669 4.485 378 HB3 LEU 44 1HB LEU 44 -10.137 7.389 4.620 379 HG LEU 44 HG LEU 44 -8.762 8.213 2.064 380 HD11 LEU 44 1HD1 LEU 44 -9.493 5.721 1.556 381 HD12 LEU 44 2HD1 LEU 44 -9.246 5.557 3.295 382 HD13 LEU 44 3HD1 LEU 44 -7.925 6.106 2.265 383 HD21 LEU 44 1HD2 LEU 44 -11.520 7.097 2.548 384 HD22 LEU 44 2HD2 LEU 44 -10.840 7.606 1.003 385 HD23 LEU 44 3HD2 LEU 44 -11.157 8.799 2.264 386 H GLY 45 H GLY 45 -12.106 9.135 4.571 387 HA2 GLY 45 2HA GLY 45 -12.182 9.936 7.414 388 HA3 GLY 45 1HA GLY 45 -13.499 10.190 6.279 389 H GLY 46 H GLY 46 -14.507 8.200 5.368 390 HA2 GLY 46 2HA GLY 46 -14.180 5.635 6.316 391 HA3 GLY 46 1HA GLY 46 -15.202 6.433 7.501 392 H GLY 47 H GLY 47 -14.995 6.344 3.937 393 HA2 GLY 47 2HA GLY 47 -16.950 4.921 3.019 394 HA3 GLY 47 1HA GLY 47 -17.926 6.103 3.875 395 H GLY 48 H GLY 48 -17.650 5.409 0.970 396 HA2 GLY 48 2HA GLY 48 -18.178 6.846 -0.830 397 HA3 GLY 48 1HA GLY 48 -17.428 8.175 0.042 398 H GLU 49 H GLU 49 -15.043 8.101 0.248 399 HA GLU 49 HA GLU 49 -13.887 7.220 -2.285 400 HB2 GLU 49 2HB GLU 49 -13.597 9.574 -1.564 401 HB3 GLU 49 1HB GLU 49 -12.714 9.012 -0.152 402 HG2 GLU 49 2HG GLU 49 -11.085 7.937 -1.729 403 HG3 GLU 49 1HG GLU 49 -11.905 8.790 -3.035 404 H VAL 50 H VAL 50 -13.912 6.402 1.047 405 HA VAL 50 HA VAL 50 -11.443 5.325 1.546 406 HB VAL 50 HB VAL 50 -13.272 5.412 3.194 407 HG11 VAL 50 1HG1 VAL 50 -15.143 4.076 3.153 408 HG12 VAL 50 2HG1 VAL 50 -14.382 2.856 2.130 409 HG13 VAL 50 3HG1 VAL 50 -14.912 4.387 1.432 410 HG21 VAL 50 1HG2 VAL 50 -11.432 4.090 3.834 411 HG22 VAL 50 2HG2 VAL 50 -11.889 2.782 2.743 412 HG23 VAL 50 3HG2 VAL 50 -12.855 3.108 4.181 413 H LYS 51 H LYS 51 -13.959 4.062 -0.516 414 HA LYS 51 HA LYS 51 -12.896 1.435 -0.775 415 HB2 LYS 51 2HB LYS 51 -15.111 2.964 -1.868 416 HB3 LYS 51 1HB LYS 51 -14.356 1.952 -3.092 417 HG2 LYS 51 2HG LYS 51 -14.820 0.586 -0.550 418 HG3 LYS 51 1HG LYS 51 -16.290 1.148 -1.348 419 HD2 LYS 51 2HD LYS 51 -16.149 -0.770 -2.507 420 HD3 LYS 51 1HD LYS 51 -14.903 0.066 -3.435 421 HE2 LYS 51 2HE LYS 51 -13.231 -0.814 -1.769 422 HE3 LYS 51 1HE LYS 51 -14.526 -1.818 -1.116 423 HZ1 LYS 51 1HZ LYS 51 -14.053 -1.941 -3.996 424 HZ2 LYS 51 2HZ LYS 51 -14.522 -3.163 -2.925 425 HZ3 LYS 51 3HZ LYS 51 -12.904 -2.674 -2.992 426 H LYS 52 H LYS 52 -12.308 4.480 -2.371 427 HA LYS 52 HA LYS 52 -11.013 3.472 -4.676 428 HB2 LYS 52 2HB LYS 52 -11.801 5.731 -4.691 429 HB3 LYS 52 1HB LYS 52 -10.859 6.134 -3.263 430 HG2 LYS 52 2HG LYS 52 -9.860 7.066 -5.273 431 HG3 LYS 52 1HG LYS 52 -8.797 5.869 -4.529 432 HD2 LYS 52 2HD LYS 52 -9.017 4.403 -6.253 433 HD3 LYS 52 1HD LYS 52 -10.680 4.888 -6.593 434 HE2 LYS 52 2HE LYS 52 -9.510 5.672 -8.443 435 HE3 LYS 52 1HE LYS 52 -9.636 7.098 -7.411 436 HZ1 LYS 52 1HZ LYS 52 -7.419 6.992 -6.847 437 HZ2 LYS 52 2HZ LYS 52 -7.376 6.496 -8.464 438 HZ3 LYS 52 3HZ LYS 52 -7.273 5.348 -7.225 439 H VAL 53 H VAL 53 -9.635 4.913 -1.713 440 HA VAL 53 HA VAL 53 -6.959 4.403 -2.278 441 HB VAL 53 HB VAL 53 -8.164 4.352 0.488 442 HG11 VAL 53 1HG1 VAL 53 -5.716 3.713 0.046 443 HG12 VAL 53 2HG1 VAL 53 -6.048 4.922 1.287 444 HG13 VAL 53 3HG1 VAL 53 -5.479 5.425 -0.305 445 HG21 VAL 53 1HG2 VAL 53 -7.442 6.865 0.333 446 HG22 VAL 53 2HG2 VAL 53 -9.013 6.348 -0.278 447 HG23 VAL 53 3HG2 VAL 53 -7.677 6.612 -1.397 448 H GLU 54 H GLU 54 -9.448 2.282 -1.062 449 HA GLU 54 HA GLU 54 -7.822 0.248 -0.006 450 HB2 GLU 54 2HB GLU 54 -10.383 0.569 0.161 451 HB3 GLU 54 1HB GLU 54 -10.446 -0.288 -1.373 452 HG2 GLU 54 2HG GLU 54 -9.520 -2.247 -0.421 453 HG3 GLU 54 1HG GLU 54 -9.089 -1.400 1.065 454 H GLU 55 H GLU 55 -8.842 0.997 -3.268 455 HA GLU 55 HA GLU 55 -7.913 -1.471 -4.399 456 HB2 GLU 55 2HB GLU 55 -9.723 -0.177 -5.444 457 HB3 GLU 55 1HB GLU 55 -8.609 1.153 -5.733 458 HG2 GLU 55 2HG GLU 55 -8.832 -0.005 -7.774 459 HG3 GLU 55 1HG GLU 55 -7.247 -0.426 -7.128 460 H GLU 56 H GLU 56 -6.554 1.651 -3.715 461 HA GLU 56 HA GLU 56 -4.326 1.516 -5.458 462 HB2 GLU 56 2HB GLU 56 -5.057 3.134 -3.057 463 HB3 GLU 56 1HB GLU 56 -3.388 3.157 -3.609 464 HG2 GLU 56 2HG GLU 56 -4.399 3.707 -5.917 465 HG3 GLU 56 1HG GLU 56 -5.850 4.122 -5.004 466 H VAL 57 H VAL 57 -4.993 0.204 -2.310 467 HA VAL 57 HA VAL 57 -2.239 -0.461 -1.740 468 HB VAL 57 HB VAL 57 -4.673 -1.523 -0.310 469 HG11 VAL 57 1HG1 VAL 57 -1.805 -1.113 0.527 470 HG12 VAL 57 2HG1 VAL 57 -2.618 -2.652 0.247 471 HG13 VAL 57 3HG1 VAL 57 -3.105 -1.632 1.600 472 HG21 VAL 57 1HG2 VAL 57 -3.913 1.187 -0.543 473 HG22 VAL 57 2HG2 VAL 57 -3.478 0.665 1.083 474 HG23 VAL 57 3HG2 VAL 57 -5.137 0.485 0.514 475 H LYS 58 H LYS 58 -4.982 -1.936 -3.239 476 HA LYS 58 HA LYS 58 -4.112 -4.641 -2.989 477 HB2 LYS 58 2HB LYS 58 -6.356 -3.206 -4.149 478 HB3 LYS 58 1HB LYS 58 -5.820 -4.522 -5.184 479 HG2 LYS 58 2HG LYS 58 -6.093 -6.103 -3.376 480 HG3 LYS 58 1HG LYS 58 -6.530 -4.799 -2.270 481 HD2 LYS 58 2HD LYS 58 -8.487 -4.293 -3.688 482 HD3 LYS 58 1HD LYS 58 -8.063 -5.656 -4.724 483 HE2 LYS 58 2HE LYS 58 -9.236 -6.989 -3.393 484 HE3 LYS 58 1HE LYS 58 -8.104 -6.640 -2.088 485 HZ1 LYS 58 1HZ LYS 58 -9.520 -5.189 -1.124 486 HZ2 LYS 58 2HZ LYS 58 -10.684 -6.124 -1.916 487 HZ3 LYS 58 3HZ LYS 58 -10.179 -4.656 -2.589 488 H LYS 59 H LYS 59 -3.499 -2.067 -5.257 489 HA LYS 59 HA LYS 59 -2.547 -3.757 -7.362 490 HB2 LYS 59 2HB LYS 59 -3.424 -1.569 -7.897 491 HB3 LYS 59 1HB LYS 59 -2.226 -0.792 -6.872 492 HG2 LYS 59 2HG LYS 59 -1.023 -2.480 -8.912 493 HG3 LYS 59 1HG LYS 59 -2.035 -1.201 -9.587 494 HD2 LYS 59 2HD LYS 59 -0.069 -0.553 -7.428 495 HD3 LYS 59 1HD LYS 59 0.492 -0.749 -9.090 496 HE2 LYS 59 2HE LYS 59 -1.701 0.867 -9.392 497 HE3 LYS 59 1HE LYS 59 -1.030 1.424 -7.860 498 HZ1 LYS 59 1HZ LYS 59 0.056 1.634 -10.546 499 HZ2 LYS 59 2HZ LYS 59 1.176 1.274 -9.331 500 HZ3 LYS 59 3HZ LYS 59 0.231 2.672 -9.221 501 H LEU 60 H LEU 60 -0.957 -1.877 -4.796 502 HA LEU 60 HA LEU 60 1.666 -2.514 -5.752 503 HB2 LEU 60 2HB LEU 60 0.857 -0.513 -4.276 504 HB3 LEU 60 1HB LEU 60 1.159 -1.620 -2.949 505 HG LEU 60 HG LEU 60 3.393 -1.569 -4.792 506 HD11 LEU 60 1HD1 LEU 60 3.511 0.584 -5.277 507 HD12 LEU 60 2HD1 LEU 60 3.790 0.885 -3.562 508 HD13 LEU 60 3HD1 LEU 60 2.156 0.970 -4.217 509 HD21 LEU 60 1HD2 LEU 60 2.963 -1.118 -1.859 510 HD22 LEU 60 2HD2 LEU 60 4.543 -0.901 -2.613 511 HD23 LEU 60 3HD2 LEU 60 3.748 -2.473 -2.671 512 H GLU 61 H GLU 61 -0.570 -4.023 -3.583 513 HA GLU 61 HA GLU 61 1.313 -5.601 -2.156 514 HB2 GLU 61 2HB GLU 61 -1.358 -5.063 -1.898 515 HB3 GLU 61 1HB GLU 61 -1.387 -6.714 -2.493 516 HG2 GLU 61 2HG GLU 61 0.491 -6.937 -0.582 517 HG3 GLU 61 1HG GLU 61 -0.502 -5.647 0.095 518 H GLU 62 H GLU 62 -0.928 -6.371 -4.802 519 HA GLU 62 HA GLU 62 -0.004 -8.991 -5.247 520 HB2 GLU 62 2HB GLU 62 -2.117 -7.543 -6.120 521 HB3 GLU 62 1HB GLU 62 -1.102 -7.497 -7.554 522 HG2 GLU 62 2HG GLU 62 -1.084 -9.871 -7.713 523 HG3 GLU 62 1HG GLU 62 -1.848 -10.038 -6.133 524 H GLU 63 H GLU 63 1.149 -5.891 -6.289 525 HA GLU 63 HA GLU 63 2.624 -6.647 -8.550 526 HB2 GLU 63 2HB GLU 63 2.258 -4.311 -6.963 527 HB3 GLU 63 1HB GLU 63 3.986 -4.548 -7.175 528 HG2 GLU 63 2HG GLU 63 1.937 -4.381 -9.373 529 HG3 GLU 63 1HG GLU 63 3.072 -3.116 -8.906 530 H ILE 64 H ILE 64 3.817 -6.064 -5.244 531 HA ILE 64 HA ILE 64 6.424 -6.906 -5.603 532 HB ILE 64 HB ILE 64 4.819 -7.304 -3.075 533 HG12 ILE 64 2HG1 ILE 64 6.290 -4.839 -4.032 534 HG13 ILE 64 1HG1 ILE 64 4.545 -5.001 -3.899 535 HG21 ILE 64 1HG2 ILE 64 7.568 -6.452 -2.782 536 HG22 ILE 64 2HG2 ILE 64 7.447 -7.966 -3.679 537 HG23 ILE 64 3HG2 ILE 64 6.732 -7.833 -2.072 538 HD11 ILE 64 1HD1 ILE 64 5.956 -3.814 -2.035 539 HD12 ILE 64 2HD1 ILE 64 6.194 -5.469 -1.473 540 HD13 ILE 64 3HD1 ILE 64 4.563 -4.815 -1.626 541 H LYS 65 H LYS 65 3.531 -8.809 -5.310 542 HA LYS 65 HA LYS 65 4.490 -11.228 -4.380 543 HB2 LYS 65 2HB LYS 65 2.433 -10.829 -6.558 544 HB3 LYS 65 1HB LYS 65 2.640 -12.279 -5.586 545 HG2 LYS 65 2HG LYS 65 1.783 -9.568 -4.602 546 HG3 LYS 65 1HG LYS 65 0.769 -11.002 -4.771 547 HD2 LYS 65 2HD LYS 65 2.285 -12.151 -3.135 548 HD3 LYS 65 1HD LYS 65 3.072 -10.594 -2.870 549 HE2 LYS 65 2HE LYS 65 1.551 -10.371 -1.229 550 HE3 LYS 65 1HE LYS 65 0.472 -9.912 -2.547 551 HZ1 LYS 65 1HZ LYS 65 -0.263 -12.221 -2.682 552 HZ2 LYS 65 2HZ LYS 65 -0.548 -11.577 -1.144 553 HZ3 LYS 65 3HZ LYS 65 0.749 -12.634 -1.391 554 H LYS 66 H LYS 66 4.688 -9.888 -7.640 555 HA LYS 66 HA LYS 66 6.147 -12.270 -8.529 556 HB2 LYS 66 2HB LYS 66 4.663 -10.088 -9.918 557 HB3 LYS 66 1HB LYS 66 5.981 -10.872 -10.778 558 HG2 LYS 66 2HG LYS 66 4.705 -13.051 -9.948 559 HG3 LYS 66 1HG LYS 66 3.339 -11.933 -9.973 560 HD2 LYS 66 2HD LYS 66 3.327 -11.799 -12.226 561 HD3 LYS 66 1HD LYS 66 5.089 -11.833 -12.339 562 HE2 LYS 66 2HE LYS 66 4.115 -13.817 -13.361 563 HE3 LYS 66 1HE LYS 66 5.068 -14.245 -11.941 564 HZ1 LYS 66 1HZ LYS 66 2.989 -14.352 -10.666 565 HZ2 LYS 66 2HZ LYS 66 3.008 -15.460 -11.945 566 HZ3 LYS 66 3HZ LYS 66 2.108 -14.034 -12.075 567 H LEU 67 H LEU 67 6.452 -8.773 -9.148 568 HA LEU 67 HA LEU 67 8.249 -7.385 -9.190 569 HB2 LEU 67 2HB LEU 67 8.732 -9.133 -7.042 570 HB3 LEU 67 1HB LEU 67 10.244 -9.034 -7.921 571 HG LEU 67 HG LEU 67 9.070 -6.407 -7.531 572 HD11 LEU 67 1HD1 LEU 67 8.239 -7.727 -5.497 573 HD12 LEU 67 2HD1 LEU 67 9.102 -6.217 -5.209 574 HD13 LEU 67 3HD1 LEU 67 9.932 -7.760 -5.000 575 HD21 LEU 67 1HD2 LEU 67 11.417 -6.957 -8.181 576 HD22 LEU 67 2HD2 LEU 67 11.672 -7.560 -6.543 577 HD23 LEU 67 3HD2 LEU 67 11.281 -5.861 -6.807 578 H6 HTS 101 H6 HTS 68 8.042 3.422 3.500 579 H3 HTS 101 H3 HTS 68 7.806 -0.826 1.009 580 H4 HTS 101 H4 HTS 68 9.989 0.249 1.409 581 H5 HTS 101 H5 HTS 68 10.105 2.367 2.662 582 HO1 HTS 101 HO1 HTS 68 5.664 3.415 3.107 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -12.687 0.896 16.068 2 H2 GLY 1 2H GLY 1 -13.377 1.506 14.649 3 H3 GLY 1 3H GLY 1 -11.728 1.732 14.953 4 HA2 GLY 1 1HA GLY 1 -11.440 -0.033 13.632 5 HA3 GLY 1 2HA GLY 1 -11.867 -0.926 15.084 6 H SER 2 H SER 2 -12.661 -0.298 11.867 7 HA SER 2 HA SER 2 -15.004 -2.018 12.087 8 HB2 SER 2 2HB SER 2 -15.046 0.823 11.162 9 HB3 SER 2 1HB SER 2 -16.087 -0.341 10.343 10 HG SER 2 HG SER 2 -16.025 0.080 13.149 11 H ARG 3 H ARG 3 -12.914 -0.169 9.885 12 HA ARG 3 HA ARG 3 -12.356 -2.514 8.332 13 HB2 ARG 3 2HB ARG 3 -14.552 -1.875 7.411 14 HB3 ARG 3 1HB ARG 3 -13.923 -0.276 7.036 15 HG2 ARG 3 2HG ARG 3 -12.128 -1.672 5.702 16 HG3 ARG 3 1HG ARG 3 -13.415 -2.880 5.702 17 HD2 ARG 3 2HD ARG 3 -13.668 -0.035 4.729 18 HD3 ARG 3 1HD ARG 3 -13.491 -1.459 3.704 19 HE ARG 3 HE ARG 3 -15.705 -1.824 5.387 20 HH11 ARG 3 1HH1 ARG 3 -14.705 0.140 2.681 21 HH12 ARG 3 2HH1 ARG 3 -16.316 0.349 2.078 22 HH21 ARG 3 1HH2 ARG 3 -17.822 -1.550 4.596 23 HH22 ARG 3 2HH2 ARG 3 -18.085 -0.610 3.165 24 H VAL 4 H VAL 4 -12.272 1.030 8.427 25 HA VAL 4 HA VAL 4 -10.006 1.326 6.762 26 HB VAL 4 HB VAL 4 -10.882 3.228 8.938 27 HG11 VAL 4 1HG1 VAL 4 -9.704 4.885 7.809 28 HG12 VAL 4 2HG1 VAL 4 -9.635 3.954 6.313 29 HG13 VAL 4 3HG1 VAL 4 -8.640 3.483 7.691 30 HG21 VAL 4 1HG2 VAL 4 -11.925 2.862 6.137 31 HG22 VAL 4 2HG2 VAL 4 -12.171 4.335 7.076 32 HG23 VAL 4 3HG2 VAL 4 -12.829 2.803 7.650 33 H LYS 5 H LYS 5 -10.395 0.809 10.213 34 HA LYS 5 HA LYS 5 -7.793 1.467 11.036 35 HB2 LYS 5 2HB LYS 5 -10.109 0.552 12.260 36 HB3 LYS 5 1HB LYS 5 -8.963 -0.756 12.517 37 HG2 LYS 5 2HG LYS 5 -7.437 1.378 13.169 38 HG3 LYS 5 1HG LYS 5 -9.035 1.950 13.654 39 HD2 LYS 5 2HD LYS 5 -8.947 -0.657 14.589 40 HD3 LYS 5 1HD LYS 5 -7.318 -0.045 14.885 41 HE2 LYS 5 2HE LYS 5 -9.901 1.231 15.781 42 HE3 LYS 5 1HE LYS 5 -8.756 0.365 16.804 43 HZ1 LYS 5 1HZ LYS 5 -7.949 2.746 15.248 44 HZ2 LYS 5 2HZ LYS 5 -7.179 2.051 16.583 45 HZ3 LYS 5 3HZ LYS 5 -8.634 2.886 16.788 46 H ALA 6 H ALA 6 -9.115 -1.394 9.544 47 HA ALA 6 HA ALA 6 -6.783 -3.012 10.058 48 HB1 ALA 6 1HB ALA 6 -7.999 -4.760 9.301 49 HB2 ALA 6 2HB ALA 6 -8.694 -3.841 7.966 50 HB3 ALA 6 3HB ALA 6 -9.344 -3.657 9.595 51 H LEU 7 H LEU 7 -7.900 -0.872 7.573 52 HA LEU 7 HA LEU 7 -6.340 -1.836 5.425 53 HB2 LEU 7 2HB LEU 7 -8.292 0.026 5.692 54 HB3 LEU 7 1HB LEU 7 -6.885 1.060 5.539 55 HG LEU 7 HG LEU 7 -7.852 -0.986 3.547 56 HD11 LEU 7 1HD1 LEU 7 -8.788 1.489 3.879 57 HD12 LEU 7 2HD1 LEU 7 -8.623 0.735 2.293 58 HD13 LEU 7 3HD1 LEU 7 -7.389 1.855 2.870 59 HD21 LEU 7 1HD2 LEU 7 -5.238 0.370 3.863 60 HD22 LEU 7 2HD2 LEU 7 -5.906 0.275 2.234 61 HD23 LEU 7 3HD2 LEU 7 -5.625 -1.200 3.159 62 H GLU 8 H GLU 8 -5.681 0.448 8.018 63 HA GLU 8 HA GLU 8 -3.236 1.415 6.924 64 HB2 GLU 8 2HB GLU 8 -4.359 1.505 9.723 65 HB3 GLU 8 1HB GLU 8 -2.870 2.307 9.241 66 HG2 GLU 8 2HG GLU 8 -4.029 3.756 7.764 67 HG3 GLU 8 1HG GLU 8 -5.520 2.830 7.927 68 H GLU 9 H GLU 9 -4.082 -1.276 9.000 69 HA GLU 9 HA GLU 9 -1.384 -1.801 9.821 70 HB2 GLU 9 2HB GLU 9 -2.267 -3.777 10.877 71 HB3 GLU 9 1HB GLU 9 -3.369 -2.440 11.175 72 HG2 GLU 9 2HG GLU 9 -4.995 -3.295 9.796 73 HG3 GLU 9 1HG GLU 9 -3.857 -4.272 8.874 74 H LYS 10 H LYS 10 -3.308 -2.600 7.079 75 HA LYS 10 HA LYS 10 -1.954 -4.981 6.317 76 HB2 LYS 10 2HB LYS 10 -4.149 -3.450 5.384 77 HB3 LYS 10 1HB LYS 10 -3.030 -3.617 4.039 78 HG2 LYS 10 2HG LYS 10 -3.117 -5.990 4.154 79 HG3 LYS 10 1HG LYS 10 -3.999 -5.941 5.682 80 HD2 LYS 10 2HD LYS 10 -5.838 -6.152 4.420 81 HD3 LYS 10 1HD LYS 10 -5.599 -4.446 4.034 82 HE2 LYS 10 2HE LYS 10 -4.071 -5.312 2.150 83 HE3 LYS 10 1HE LYS 10 -4.857 -6.866 2.426 84 HZ1 LYS 10 1HZ LYS 10 -6.826 -6.120 1.610 85 HZ2 LYS 10 2HZ LYS 10 -5.794 -5.132 0.706 86 HZ3 LYS 10 3HZ LYS 10 -6.564 -4.515 2.080 87 H VAL 11 H VAL 11 -1.767 -1.651 5.057 88 HA VAL 11 HA VAL 11 0.433 -2.176 3.354 89 HB VAL 11 HB VAL 11 -0.373 0.511 4.468 90 HG11 VAL 11 1HG1 VAL 11 1.794 -0.162 2.922 91 HG12 VAL 11 2HG1 VAL 11 1.067 1.440 3.031 92 HG13 VAL 11 3HG1 VAL 11 0.604 0.349 1.724 93 HG21 VAL 11 1HG2 VAL 11 -2.351 0.047 3.494 94 HG22 VAL 11 2HG2 VAL 11 -1.679 -1.248 2.502 95 HG23 VAL 11 3HG2 VAL 11 -1.486 0.434 2.007 96 H LYS 12 H LYS 12 0.182 -1.273 6.687 97 HA LYS 12 HA LYS 12 2.744 -0.237 7.126 98 HB2 LYS 12 2HB LYS 12 0.557 -1.285 8.768 99 HB3 LYS 12 1HB LYS 12 2.145 -1.553 9.476 100 HG2 LYS 12 2HG LYS 12 2.532 0.951 8.977 101 HG3 LYS 12 1HG LYS 12 0.775 1.025 8.836 102 HD2 LYS 12 2HD LYS 12 1.226 1.565 11.078 103 HD3 LYS 12 1HD LYS 12 0.710 -0.123 11.113 104 HE2 LYS 12 2HE LYS 12 2.566 -0.363 12.378 105 HE3 LYS 12 1HE LYS 12 3.351 -0.468 10.804 106 HZ1 LYS 12 1HZ LYS 12 3.008 2.200 11.923 107 HZ2 LYS 12 2HZ LYS 12 4.297 1.555 11.038 108 HZ3 LYS 12 3HZ LYS 12 4.143 1.202 12.684 109 H ALA 13 H ALA 13 1.563 -3.543 6.988 110 HA ALA 13 HA ALA 13 4.111 -4.672 7.779 111 HB1 ALA 13 1HB ALA 13 2.453 -6.119 8.419 112 HB2 ALA 13 2HB ALA 13 2.850 -6.805 6.844 113 HB3 ALA 13 3HB ALA 13 1.444 -5.755 7.019 114 H LEU 14 H LEU 14 2.491 -3.675 4.945 115 HA LEU 14 HA LEU 14 3.828 -5.181 2.979 116 HB2 LEU 14 2HB LEU 14 1.707 -3.652 2.921 117 HB3 LEU 14 1HB LEU 14 2.850 -2.383 2.540 118 HG LEU 14 HG LEU 14 3.205 -4.745 0.861 119 HD11 LEU 14 1HD1 LEU 14 1.013 -3.833 -0.412 120 HD12 LEU 14 2HD1 LEU 14 0.502 -3.651 1.267 121 HD13 LEU 14 3HD1 LEU 14 1.015 -5.228 0.667 122 HD21 LEU 14 1HD2 LEU 14 3.213 -1.824 0.671 123 HD22 LEU 14 2HD2 LEU 14 2.570 -2.640 -0.754 124 HD23 LEU 14 3HD2 LEU 14 4.192 -3.022 -0.177 125 H GLU 15 H GLU 15 4.723 -2.419 4.858 126 HA GLU 15 HA GLU 15 6.799 -1.477 3.137 127 HB2 GLU 15 2HB GLU 15 5.805 0.123 4.576 128 HB3 GLU 15 1HB GLU 15 6.009 -0.900 5.989 129 HG2 GLU 15 2HG GLU 15 8.467 -0.602 5.770 130 HG3 GLU 15 1HG GLU 15 8.164 0.540 4.462 131 H GLU 16 H GLU 16 6.703 -3.388 6.126 132 HA GLU 16 HA GLU 16 9.416 -3.677 6.576 133 HB2 GLU 16 2HB GLU 16 7.283 -5.773 7.014 134 HB3 GLU 16 1HB GLU 16 8.857 -5.724 7.793 135 HG2 GLU 16 2HG GLU 16 7.418 -3.249 8.166 136 HG3 GLU 16 1HG GLU 16 6.489 -4.634 8.735 137 H LYS 17 H LYS 17 7.430 -5.152 4.140 138 HA LYS 17 HA LYS 17 9.268 -7.250 3.480 139 HB2 LYS 17 2HB LYS 17 6.644 -6.851 2.965 140 HB3 LYS 17 1HB LYS 17 7.336 -6.335 1.435 141 HG2 LYS 17 2HG LYS 17 8.419 -8.859 2.440 142 HG3 LYS 17 1HG LYS 17 6.689 -8.896 2.088 143 HD2 LYS 17 2HD LYS 17 7.339 -9.311 -0.021 144 HD3 LYS 17 1HD LYS 17 7.668 -7.579 -0.090 145 HE2 LYS 17 2HE LYS 17 9.585 -8.780 -0.913 146 HE3 LYS 17 1HE LYS 17 9.990 -8.034 0.633 147 HZ1 LYS 17 1HZ LYS 17 10.756 -10.080 1.091 148 HZ2 LYS 17 2HZ LYS 17 9.792 -10.839 -0.074 149 HZ3 LYS 17 3HZ LYS 17 9.136 -10.430 1.431 150 H VAL 18 H VAL 18 8.394 -4.146 1.977 151 HA VAL 18 HA VAL 18 10.305 -4.335 -0.116 152 HB VAL 18 HB VAL 18 9.110 -1.808 0.971 153 HG11 VAL 18 1HG1 VAL 18 9.513 -0.878 -1.171 154 HG12 VAL 18 2HG1 VAL 18 9.927 -2.454 -1.848 155 HG13 VAL 18 3HG1 VAL 18 11.003 -1.686 -0.680 156 HG21 VAL 18 1HG2 VAL 18 7.944 -3.790 -0.975 157 HG22 VAL 18 2HG2 VAL 18 7.339 -2.147 -0.764 158 HG23 VAL 18 3HG2 VAL 18 7.273 -3.289 0.577 159 H LYS 19 H LYS 19 10.227 -2.320 2.825 160 HA LYS 19 HA LYS 19 12.695 -1.124 2.574 161 HB2 LYS 19 2HB LYS 19 11.243 -1.970 5.082 162 HB3 LYS 19 1HB LYS 19 12.647 -0.911 5.069 163 HG2 LYS 19 2HG LYS 19 11.190 0.473 3.382 164 HG3 LYS 19 1HG LYS 19 9.865 -0.384 4.172 165 HD2 LYS 19 2HD LYS 19 9.966 1.345 5.622 166 HD3 LYS 19 1HD LYS 19 11.282 0.404 6.329 167 HE2 LYS 19 2HE LYS 19 12.880 1.824 5.578 168 HE3 LYS 19 1HE LYS 19 12.001 2.200 4.097 169 HZ1 LYS 19 1HZ LYS 19 11.154 3.203 6.752 170 HZ2 LYS 19 2HZ LYS 19 10.645 3.734 5.229 171 HZ3 LYS 19 3HZ LYS 19 12.220 4.057 5.753 172 H ALA 20 H ALA 20 11.971 -4.398 3.414 173 HA ALA 20 HA ALA 20 14.634 -4.910 4.470 174 HB1 ALA 20 1HB ALA 20 12.492 -6.948 3.910 175 HB2 ALA 20 2HB ALA 20 12.536 -5.986 5.387 176 HB3 ALA 20 3HB ALA 20 13.865 -7.083 5.008 177 H LEU 21 H LEU 21 12.961 -4.982 1.502 178 HA LEU 21 HA LEU 21 14.595 -6.952 0.201 179 HB2 LEU 21 2HB LEU 21 12.347 -6.660 -0.563 180 HB3 LEU 21 1HB LEU 21 12.577 -4.938 -0.762 181 HG LEU 21 HG LEU 21 12.472 -6.272 -2.882 182 HD11 LEU 21 1HD1 LEU 21 15.097 -5.093 -3.128 183 HD12 LEU 21 2HD1 LEU 21 14.004 -4.068 -2.197 184 HD13 LEU 21 3HD1 LEU 21 13.559 -4.584 -3.823 185 HD21 LEU 21 1HD2 LEU 21 15.208 -7.056 -2.968 186 HD22 LEU 21 2HD2 LEU 21 13.765 -8.048 -3.169 187 HD23 LEU 21 3HD2 LEU 21 14.450 -7.807 -1.563 188 H GLY 22 H GLY 22 16.216 -6.573 -1.325 189 HA2 GLY 22 2HA GLY 22 18.024 -4.525 -0.803 190 HA3 GLY 22 1HA GLY 22 18.016 -5.502 -2.263 191 H GLY 23 H GLY 23 17.200 -4.666 -4.153 192 HA2 GLY 23 2HA GLY 23 15.592 -2.334 -4.291 193 HA3 GLY 23 1HA GLY 23 17.279 -1.913 -4.544 194 H GLY 24 H GLY 24 15.898 -1.267 -6.604 195 HA2 GLY 24 2HA GLY 24 16.895 -2.341 -8.829 196 HA3 GLY 24 1HA GLY 24 15.614 -3.489 -8.467 197 H GLY 25 H GLY 25 14.739 -2.845 -10.556 198 HA2 GLY 25 2HA GLY 25 13.718 -0.147 -10.820 199 HA3 GLY 25 1HA GLY 25 13.520 -1.457 -11.973 200 H ARG 26 H ARG 26 12.190 -3.369 -10.811 201 HA ARG 26 HA ARG 26 9.551 -2.572 -10.714 202 HB2 ARG 26 2HB ARG 26 10.773 -4.957 -10.749 203 HB3 ARG 26 1HB ARG 26 10.321 -4.913 -9.053 204 HG2 ARG 26 2HG ARG 26 8.550 -4.918 -11.467 205 HG3 ARG 26 1HG ARG 26 8.569 -6.035 -10.101 206 HD2 ARG 26 2HD ARG 26 6.718 -4.781 -9.598 207 HD3 ARG 26 1HD ARG 26 7.964 -3.885 -8.733 208 HE ARG 26 HE ARG 26 7.621 -2.119 -10.146 209 HH11 ARG 26 1HH1 ARG 26 6.195 -4.976 -11.554 210 HH12 ARG 26 2HH1 ARG 26 5.429 -4.110 -12.843 211 HH21 ARG 26 1HH2 ARG 26 6.614 -0.978 -11.841 212 HH22 ARG 26 2HH2 ARG 26 5.667 -1.841 -13.006 213 H ILE 27 H ILE 27 11.484 -3.582 -7.903 214 HA ILE 27 HA ILE 27 9.717 -2.909 -5.903 215 HB ILE 27 HB ILE 27 12.707 -2.598 -5.691 216 HG12 ILE 27 2HG1 ILE 27 11.838 -5.120 -4.717 217 HG13 ILE 27 1HG1 ILE 27 11.152 -4.923 -6.328 218 HG21 ILE 27 1HG2 ILE 27 12.428 -2.999 -3.371 219 HG22 ILE 27 2HG2 ILE 27 10.737 -3.450 -3.583 220 HG23 ILE 27 3HG2 ILE 27 11.239 -1.776 -3.816 221 HD11 ILE 27 1HD1 ILE 27 13.122 -5.230 -7.310 222 HD12 ILE 27 2HD1 ILE 27 13.663 -5.840 -5.746 223 HD13 ILE 27 3HD1 ILE 27 13.951 -4.156 -6.183 224 H GLU 28 H GLU 28 11.780 -0.797 -7.767 225 HA GLU 28 HA GLU 28 11.865 1.435 -6.105 226 HB2 GLU 28 2HB GLU 28 12.823 0.857 -8.575 227 HB3 GLU 28 1HB GLU 28 11.540 1.985 -8.987 228 HG2 GLU 28 2HG GLU 28 13.358 3.371 -8.745 229 HG3 GLU 28 1HG GLU 28 12.594 3.479 -7.161 230 H GLU 29 H GLU 29 9.548 0.809 -8.756 231 HA GLU 29 HA GLU 29 7.933 3.045 -8.303 232 HB2 GLU 29 2HB GLU 29 7.785 1.752 -10.354 233 HB3 GLU 29 1HB GLU 29 7.210 0.349 -9.464 234 HG2 GLU 29 2HG GLU 29 5.108 1.044 -9.579 235 HG3 GLU 29 1HG GLU 29 5.537 2.635 -8.953 236 H LEU 30 H LEU 30 7.979 -0.098 -6.790 237 HA LEU 30 HA LEU 30 5.464 0.084 -5.495 238 HB2 LEU 30 2HB LEU 30 7.918 -1.572 -4.948 239 HB3 LEU 30 1HB LEU 30 6.442 -1.722 -4.013 240 HG LEU 30 HG LEU 30 6.033 -1.929 -6.911 241 HD11 LEU 30 1HD1 LEU 30 8.101 -3.049 -6.977 242 HD12 LEU 30 2HD1 LEU 30 6.874 -4.313 -6.900 243 HD13 LEU 30 3HD1 LEU 30 7.790 -3.881 -5.455 244 HD21 LEU 30 1HD2 LEU 30 4.172 -2.747 -6.010 245 HD22 LEU 30 2HD2 LEU 30 4.924 -2.922 -4.424 246 HD23 LEU 30 3HD2 LEU 30 5.099 -4.198 -5.630 247 H LYS 31 H LYS 31 8.543 1.472 -4.824 248 HA LYS 31 HA LYS 31 8.141 1.814 -2.007 249 HB2 LYS 31 2HB LYS 31 10.391 1.669 -2.937 250 HB3 LYS 31 1HB LYS 31 10.106 3.110 -3.901 251 HG2 LYS 31 2HG LYS 31 10.459 4.503 -2.173 252 HG3 LYS 31 1HG LYS 31 9.694 3.423 -1.006 253 HD2 LYS 31 2HD LYS 31 12.219 2.434 -2.138 254 HD3 LYS 31 1HD LYS 31 12.367 3.892 -1.154 255 HE2 LYS 31 2HE LYS 31 10.718 2.389 0.387 256 HE3 LYS 31 1HE LYS 31 11.700 1.137 -0.373 257 HZ1 LYS 31 1HZ LYS 31 12.469 3.198 1.538 258 HZ2 LYS 31 2HZ LYS 31 13.600 2.825 0.337 259 HZ3 LYS 31 3HZ LYS 31 13.033 1.611 1.371 260 H LYS 32 H LYS 32 8.308 4.172 -4.691 261 HA LYS 32 HA LYS 32 7.545 6.417 -3.288 262 HB2 LYS 32 2HB LYS 32 8.131 5.893 -5.888 263 HB3 LYS 32 1HB LYS 32 6.408 6.223 -6.002 264 HG2 LYS 32 2HG LYS 32 7.185 8.291 -4.464 265 HG3 LYS 32 1HG LYS 32 8.650 8.033 -5.413 266 HD2 LYS 32 2HD LYS 32 7.648 8.628 -7.374 267 HD3 LYS 32 1HD LYS 32 6.061 8.048 -6.864 268 HE2 LYS 32 2HE LYS 32 7.117 10.331 -5.340 269 HE3 LYS 32 1HE LYS 32 6.758 10.662 -7.033 270 HZ1 LYS 32 1HZ LYS 32 4.726 9.189 -5.572 271 HZ2 LYS 32 2HZ LYS 32 4.557 10.439 -6.700 272 HZ3 LYS 32 3HZ LYS 32 4.947 10.797 -5.094 273 H LYS 33 H LYS 33 5.384 4.266 -5.126 274 HA LYS 33 HA LYS 33 3.000 5.562 -4.369 275 HB2 LYS 33 2HB LYS 33 3.114 4.133 -6.329 276 HB3 LYS 33 1HB LYS 33 3.461 2.734 -5.323 277 HG2 LYS 33 2HG LYS 33 1.264 2.842 -4.336 278 HG3 LYS 33 1HG LYS 33 0.912 4.332 -5.213 279 HD2 LYS 33 2HD LYS 33 0.482 3.247 -7.143 280 HD3 LYS 33 1HD LYS 33 1.768 2.066 -6.883 281 HE2 LYS 33 2HE LYS 33 0.126 0.610 -6.465 282 HE3 LYS 33 1HE LYS 33 -0.043 1.437 -4.917 283 HZ1 LYS 33 1HZ LYS 33 -1.768 2.796 -5.810 284 HZ2 LYS 33 2HZ LYS 33 -2.149 1.189 -6.170 285 HZ3 LYS 33 3HZ LYS 33 -1.523 2.197 -7.374 286 H CYS 34 H CYS 34 4.964 3.217 -2.742 287 HA CYS 34 HA CYS 34 3.071 2.023 -1.063 288 HB2 CYS 34 2HB CYS 34 5.881 2.009 -1.364 289 HB3 CYS 34 1HB CYS 34 5.568 2.370 0.324 290 H GLU 35 H GLU 35 5.266 4.736 -0.252 291 HA GLU 35 HA GLU 35 4.066 5.226 2.247 292 HB2 GLU 35 2HB GLU 35 5.310 7.430 2.105 293 HB3 GLU 35 1HB GLU 35 6.284 5.971 1.989 294 HG2 GLU 35 2HG GLU 35 7.047 6.549 -0.005 295 HG3 GLU 35 1HG GLU 35 5.417 6.835 -0.608 296 H GLU 36 H GLU 36 3.783 7.027 -0.822 297 HA GLU 36 HA GLU 36 2.070 9.009 -0.025 298 HB2 GLU 36 2HB GLU 36 3.133 8.616 -2.322 299 HB3 GLU 36 1HB GLU 36 1.743 7.597 -2.664 300 HG2 GLU 36 2HG GLU 36 0.982 10.188 -1.605 301 HG3 GLU 36 1HG GLU 36 1.932 10.312 -3.084 302 H LEU 37 H LEU 37 1.395 5.654 -0.522 303 HA LEU 37 HA LEU 37 -1.433 5.845 -0.702 304 HB2 LEU 37 2HB LEU 37 -0.417 3.920 -1.614 305 HB3 LEU 37 1HB LEU 37 0.491 3.606 -0.150 306 HG LEU 37 HG LEU 37 -1.447 2.813 0.990 307 HD11 LEU 37 1HD1 LEU 37 -2.961 4.556 -0.136 308 HD12 LEU 37 2HD1 LEU 37 -3.652 2.980 0.243 309 HD13 LEU 37 3HD1 LEU 37 -3.162 3.353 -1.409 310 HD21 LEU 37 1HD2 LEU 37 -0.311 1.510 -1.063 311 HD22 LEU 37 2HD2 LEU 37 -1.985 1.543 -1.615 312 HD23 LEU 37 3HD2 LEU 37 -1.585 0.820 -0.058 313 H LYS 38 H LYS 38 0.814 5.211 1.969 314 HA LYS 38 HA LYS 38 -1.078 4.565 3.924 315 HB2 LYS 38 2HB LYS 38 1.721 5.587 3.965 316 HB3 LYS 38 1HB LYS 38 0.803 5.619 5.464 317 HG2 LYS 38 2HG LYS 38 0.515 3.069 4.170 318 HG3 LYS 38 1HG LYS 38 2.220 3.472 4.374 319 HD2 LYS 38 2HD LYS 38 0.592 4.070 6.725 320 HD3 LYS 38 1HD LYS 38 0.594 2.361 6.289 321 HE2 LYS 38 2HE LYS 38 2.579 2.154 7.259 322 HE3 LYS 38 1HE LYS 38 3.254 3.247 6.052 323 HZ1 LYS 38 1HZ LYS 38 2.518 3.763 8.818 324 HZ2 LYS 38 2HZ LYS 38 2.165 4.996 7.715 325 HZ3 LYS 38 3HZ LYS 38 3.754 4.439 7.879 326 H LYS 39 H LYS 39 0.536 7.712 3.436 327 HA LYS 39 HA LYS 39 -0.783 9.206 5.309 328 HB2 LYS 39 2HB LYS 39 -0.237 11.163 3.990 329 HB3 LYS 39 1HB LYS 39 1.093 10.015 3.921 330 HG2 LYS 39 2HG LYS 39 0.317 9.268 1.718 331 HG3 LYS 39 1HG LYS 39 -0.985 10.456 1.786 332 HD2 LYS 39 2HD LYS 39 1.527 11.729 2.345 333 HD3 LYS 39 1HD LYS 39 1.639 10.819 0.837 334 HE2 LYS 39 2HE LYS 39 0.907 13.059 0.350 335 HE3 LYS 39 1HE LYS 39 -0.425 11.942 0.058 336 HZ1 LYS 39 1HZ LYS 39 -0.192 13.262 2.675 337 HZ2 LYS 39 2HZ LYS 39 -1.573 12.692 1.883 338 HZ3 LYS 39 3HZ LYS 39 -0.833 14.122 1.366 339 H LYS 40 H LYS 40 -1.976 8.175 2.177 340 HA LYS 40 HA LYS 40 -4.219 9.905 2.080 341 HB2 LYS 40 2HB LYS 40 -3.173 8.563 0.167 342 HB3 LYS 40 1HB LYS 40 -4.079 7.187 0.785 343 HG2 LYS 40 2HG LYS 40 -5.992 7.906 -0.102 344 HG3 LYS 40 1HG LYS 40 -5.719 9.568 0.429 345 HD2 LYS 40 2HD LYS 40 -3.888 9.438 -1.515 346 HD3 LYS 40 1HD LYS 40 -5.036 8.249 -2.135 347 HE2 LYS 40 2HE LYS 40 -6.823 10.031 -1.710 348 HE3 LYS 40 1HE LYS 40 -5.479 11.162 -1.558 349 HZ1 LYS 40 1HZ LYS 40 -4.842 9.980 -3.840 350 HZ2 LYS 40 2HZ LYS 40 -5.819 11.358 -3.763 351 HZ3 LYS 40 3HZ LYS 40 -6.526 9.829 -3.923 352 H ILE 41 H ILE 41 -3.614 6.884 3.693 353 HA ILE 41 HA ILE 41 -6.374 6.244 4.151 354 HB ILE 41 HB ILE 41 -4.046 5.217 5.765 355 HG12 ILE 41 2HG1 ILE 41 -5.025 4.309 3.051 356 HG13 ILE 41 1HG1 ILE 41 -3.421 4.910 3.455 357 HG21 ILE 41 1HG2 ILE 41 -6.765 4.112 5.082 358 HG22 ILE 41 2HG2 ILE 41 -6.186 4.630 6.665 359 HG23 ILE 41 3HG2 ILE 41 -5.500 3.196 5.900 360 HD11 ILE 41 1HD1 ILE 41 -3.091 2.638 3.325 361 HD12 ILE 41 2HD1 ILE 41 -4.652 2.262 4.055 362 HD13 ILE 41 3HD1 ILE 41 -3.337 2.878 5.055 363 H GLU 42 H GLU 42 -3.893 8.058 5.816 364 HA GLU 42 HA GLU 42 -5.223 8.230 8.324 365 HB2 GLU 42 2HB GLU 42 -3.132 10.038 7.096 366 HB3 GLU 42 1HB GLU 42 -3.643 10.083 8.778 367 HG2 GLU 42 2HG GLU 42 -2.733 7.466 7.783 368 HG3 GLU 42 1HG GLU 42 -1.504 8.725 7.892 369 H GLU 43 H GLU 43 -5.363 10.029 5.340 370 HA GLU 43 HA GLU 43 -6.834 12.240 6.420 371 HB2 GLU 43 2HB GLU 43 -6.984 13.034 4.179 372 HB3 GLU 43 1HB GLU 43 -5.382 12.336 4.359 373 HG2 GLU 43 2HG GLU 43 -5.773 10.709 2.862 374 HG3 GLU 43 1HG GLU 43 -7.461 10.524 3.326 375 H LEU 44 H LEU 44 -7.583 9.151 5.031 376 HA LEU 44 HA LEU 44 -10.263 9.551 4.330 377 HB2 LEU 44 2HB LEU 44 -8.506 7.246 4.877 378 HB3 LEU 44 1HB LEU 44 -10.219 6.940 5.075 379 HG LEU 44 HG LEU 44 -8.940 8.021 2.565 380 HD11 LEU 44 1HD1 LEU 44 -10.109 5.285 2.977 381 HD12 LEU 44 2HD1 LEU 44 -8.394 5.631 3.205 382 HD13 LEU 44 3HD1 LEU 44 -9.140 5.874 1.626 383 HD21 LEU 44 1HD2 LEU 44 -11.291 7.151 1.738 384 HD22 LEU 44 2HD2 LEU 44 -11.089 8.778 2.387 385 HD23 LEU 44 3HD2 LEU 44 -11.743 7.498 3.407 386 H GLY 45 H GLY 45 -12.183 8.726 5.432 387 HA2 GLY 45 2HA GLY 45 -11.963 8.583 8.353 388 HA3 GLY 45 1HA GLY 45 -12.991 9.828 7.659 389 H GLY 46 H GLY 46 -14.835 9.156 6.389 390 HA2 GLY 46 2HA GLY 46 -16.026 6.743 7.503 391 HA3 GLY 46 1HA GLY 46 -16.859 7.989 6.587 392 H GLY 47 H GLY 47 -17.474 7.458 4.600 393 HA2 GLY 47 2HA GLY 47 -15.930 5.380 3.179 394 HA3 GLY 47 1HA GLY 47 -17.686 5.331 3.238 395 H GLY 48 H GLY 48 -17.200 5.261 0.827 396 HA2 GLY 48 2HA GLY 48 -17.942 6.540 -1.029 397 HA3 GLY 48 1HA GLY 48 -17.459 8.001 -0.183 398 H GLU 49 H GLU 49 -14.970 7.970 0.327 399 HA GLU 49 HA GLU 49 -13.660 7.568 -2.253 400 HB2 GLU 49 2HB GLU 49 -13.505 9.785 -1.197 401 HB3 GLU 49 1HB GLU 49 -12.723 9.062 0.203 402 HG2 GLU 49 2HG GLU 49 -10.827 8.414 -1.150 403 HG3 GLU 49 1HG GLU 49 -11.619 9.035 -2.597 404 H VAL 50 H VAL 50 -13.694 6.324 0.971 405 HA VAL 50 HA VAL 50 -11.167 5.222 1.230 406 HB VAL 50 HB VAL 50 -12.872 5.226 3.015 407 HG11 VAL 50 1HG1 VAL 50 -14.566 3.439 3.066 408 HG12 VAL 50 2HG1 VAL 50 -14.109 2.983 1.425 409 HG13 VAL 50 3HG1 VAL 50 -14.818 4.569 1.735 410 HG21 VAL 50 1HG2 VAL 50 -10.865 3.464 2.642 411 HG22 VAL 50 2HG2 VAL 50 -12.231 2.359 2.808 412 HG23 VAL 50 3HG2 VAL 50 -11.871 3.515 4.090 413 H LYS 51 H LYS 51 -13.839 4.196 -0.745 414 HA LYS 51 HA LYS 51 -13.000 1.543 -1.234 415 HB2 LYS 51 2HB LYS 51 -15.271 2.708 -1.732 416 HB3 LYS 51 1HB LYS 51 -14.515 3.170 -3.251 417 HG2 LYS 51 2HG LYS 51 -14.130 0.826 -3.788 418 HG3 LYS 51 1HG LYS 51 -14.856 0.349 -2.252 419 HD2 LYS 51 2HD LYS 51 -16.991 0.998 -2.918 420 HD3 LYS 51 1HD LYS 51 -16.375 2.044 -4.200 421 HE2 LYS 51 2HE LYS 51 -17.117 0.264 -5.437 422 HE3 LYS 51 1HE LYS 51 -15.444 -0.216 -5.156 423 HZ1 LYS 51 1HZ LYS 51 -16.182 -1.595 -3.319 424 HZ2 LYS 51 2HZ LYS 51 -16.978 -2.038 -4.743 425 HZ3 LYS 51 3HZ LYS 51 -17.787 -1.124 -3.573 426 H LYS 52 H LYS 52 -12.156 4.620 -2.682 427 HA LYS 52 HA LYS 52 -10.866 3.562 -4.982 428 HB2 LYS 52 2HB LYS 52 -11.585 5.842 -5.030 429 HB3 LYS 52 1HB LYS 52 -10.672 6.225 -3.577 430 HG2 LYS 52 2HG LYS 52 -8.635 6.202 -4.701 431 HG3 LYS 52 1HG LYS 52 -9.290 5.294 -6.065 432 HD2 LYS 52 2HD LYS 52 -10.163 8.090 -5.359 433 HD3 LYS 52 1HD LYS 52 -8.862 7.738 -6.498 434 HE2 LYS 52 2HE LYS 52 -11.023 6.126 -7.271 435 HE3 LYS 52 1HE LYS 52 -11.707 7.711 -6.910 436 HZ1 LYS 52 1HZ LYS 52 -9.833 6.927 -9.008 437 HZ2 LYS 52 2HZ LYS 52 -9.631 8.464 -8.332 438 HZ3 LYS 52 3HZ LYS 52 -11.102 8.046 -9.053 439 H VAL 53 H VAL 53 -9.516 4.975 -1.994 440 HA VAL 53 HA VAL 53 -6.843 4.444 -2.462 441 HB VAL 53 HB VAL 53 -8.131 4.247 0.260 442 HG11 VAL 53 1HG1 VAL 53 -5.378 4.533 -0.758 443 HG12 VAL 53 2HG1 VAL 53 -5.970 3.781 0.723 444 HG13 VAL 53 3HG1 VAL 53 -5.803 5.534 0.629 445 HG21 VAL 53 1HG2 VAL 53 -8.991 6.261 -0.565 446 HG22 VAL 53 2HG2 VAL 53 -7.502 6.650 -1.425 447 HG23 VAL 53 3HG2 VAL 53 -7.552 6.743 0.335 448 H GLU 54 H GLU 54 -9.376 2.246 -1.571 449 HA GLU 54 HA GLU 54 -7.784 0.167 -0.507 450 HB2 GLU 54 2HB GLU 54 -10.347 0.476 -0.422 451 HB3 GLU 54 1HB GLU 54 -10.353 -0.292 -2.004 452 HG2 GLU 54 2HG GLU 54 -9.380 -2.288 -1.104 453 HG3 GLU 54 1HG GLU 54 -9.155 -1.521 0.467 454 H GLU 55 H GLU 55 -8.804 0.988 -3.774 455 HA GLU 55 HA GLU 55 -7.793 -1.385 -4.990 456 HB2 GLU 55 2HB GLU 55 -9.548 -0.063 -6.054 457 HB3 GLU 55 1HB GLU 55 -8.460 1.312 -6.184 458 HG2 GLU 55 2HG GLU 55 -7.505 0.527 -8.038 459 HG3 GLU 55 1HG GLU 55 -7.406 -1.116 -7.404 460 H GLU 56 H GLU 56 -6.437 1.684 -4.100 461 HA GLU 56 HA GLU 56 -4.137 1.577 -5.767 462 HB2 GLU 56 2HB GLU 56 -4.982 3.183 -3.392 463 HB3 GLU 56 1HB GLU 56 -3.296 3.224 -3.885 464 HG2 GLU 56 2HG GLU 56 -3.721 4.459 -5.707 465 HG3 GLU 56 1HG GLU 56 -5.233 3.621 -6.052 466 H VAL 57 H VAL 57 -4.946 0.259 -2.647 467 HA VAL 57 HA VAL 57 -2.213 -0.391 -1.966 468 HB VAL 57 HB VAL 57 -4.724 -1.401 -0.632 469 HG11 VAL 57 1HG1 VAL 57 -1.890 -1.109 0.356 470 HG12 VAL 57 2HG1 VAL 57 -2.700 -2.620 -0.055 471 HG13 VAL 57 3HG1 VAL 57 -3.261 -1.664 1.316 472 HG21 VAL 57 1HG2 VAL 57 -5.089 0.590 0.294 473 HG22 VAL 57 2HG2 VAL 57 -3.915 1.264 -0.837 474 HG23 VAL 57 3HG2 VAL 57 -3.397 0.745 0.767 475 H LYS 58 H LYS 58 -4.896 -1.889 -3.552 476 HA LYS 58 HA LYS 58 -3.997 -4.586 -3.264 477 HB2 LYS 58 2HB LYS 58 -6.229 -3.180 -4.509 478 HB3 LYS 58 1HB LYS 58 -5.669 -4.545 -5.467 479 HG2 LYS 58 2HG LYS 58 -5.764 -5.752 -3.107 480 HG3 LYS 58 1HG LYS 58 -6.965 -4.495 -2.805 481 HD2 LYS 58 2HD LYS 58 -8.041 -6.498 -3.658 482 HD3 LYS 58 1HD LYS 58 -8.175 -5.186 -4.832 483 HE2 LYS 58 2HE LYS 58 -6.975 -6.290 -6.369 484 HE3 LYS 58 1HE LYS 58 -5.784 -6.826 -5.184 485 HZ1 LYS 58 1HZ LYS 58 -8.406 -8.093 -5.073 486 HZ2 LYS 58 2HZ LYS 58 -6.870 -8.758 -4.829 487 HZ3 LYS 58 3HZ LYS 58 -7.433 -8.485 -6.401 488 H LYS 59 H LYS 59 -3.404 -2.014 -5.542 489 HA LYS 59 HA LYS 59 -2.375 -3.703 -7.613 490 HB2 LYS 59 2HB LYS 59 -3.335 -1.505 -8.112 491 HB3 LYS 59 1HB LYS 59 -2.061 -0.727 -7.184 492 HG2 LYS 59 2HG LYS 59 -0.868 -2.429 -9.135 493 HG3 LYS 59 1HG LYS 59 -2.072 -1.408 -9.922 494 HD2 LYS 59 2HD LYS 59 -0.771 0.343 -8.235 495 HD3 LYS 59 1HD LYS 59 0.528 -0.711 -8.798 496 HE2 LYS 59 2HE LYS 59 0.424 0.075 -10.905 497 HE3 LYS 59 1HE LYS 59 -1.336 0.181 -10.886 498 HZ1 LYS 59 1HZ LYS 59 -0.874 2.375 -10.887 499 HZ2 LYS 59 2HZ LYS 59 0.654 2.186 -10.184 500 HZ3 LYS 59 3HZ LYS 59 -0.733 2.145 -9.216 501 H LEU 60 H LEU 60 -0.920 -1.815 -4.991 502 HA LEU 60 HA LEU 60 1.756 -2.344 -5.890 503 HB2 LEU 60 2HB LEU 60 0.914 -0.361 -4.462 504 HB3 LEU 60 1HB LEU 60 1.059 -1.468 -3.109 505 HG LEU 60 HG LEU 60 3.454 -1.438 -4.757 506 HD11 LEU 60 1HD1 LEU 60 2.234 1.109 -4.126 507 HD12 LEU 60 2HD1 LEU 60 3.615 0.731 -5.157 508 HD13 LEU 60 3HD1 LEU 60 3.842 0.936 -3.421 509 HD21 LEU 60 1HD2 LEU 60 4.515 -1.101 -2.569 510 HD22 LEU 60 2HD2 LEU 60 3.370 -2.441 -2.559 511 HD23 LEU 60 3HD2 LEU 60 2.922 -0.893 -1.843 512 H GLU 61 H GLU 61 -0.516 -3.941 -3.828 513 HA GLU 61 HA GLU 61 1.339 -5.483 -2.335 514 HB2 GLU 61 2HB GLU 61 -1.365 -5.043 -2.233 515 HB3 GLU 61 1HB GLU 61 -1.290 -6.688 -2.838 516 HG2 GLU 61 2HG GLU 61 0.509 -6.751 -0.787 517 HG3 GLU 61 1HG GLU 61 -0.712 -5.630 -0.187 518 H GLU 62 H GLU 62 -0.728 -6.281 -5.114 519 HA GLU 62 HA GLU 62 0.344 -8.849 -5.556 520 HB2 GLU 62 2HB GLU 62 -1.805 -7.506 -6.493 521 HB3 GLU 62 1HB GLU 62 -0.732 -7.358 -7.878 522 HG2 GLU 62 2HG GLU 62 -0.492 -9.785 -7.953 523 HG3 GLU 62 1HG GLU 62 -1.556 -9.933 -6.555 524 H GLU 63 H GLU 63 1.373 -5.671 -6.478 525 HA GLU 63 HA GLU 63 2.986 -6.281 -8.681 526 HB2 GLU 63 2HB GLU 63 2.678 -4.040 -6.804 527 HB3 GLU 63 1HB GLU 63 4.281 -4.171 -7.509 528 HG2 GLU 63 2HG GLU 63 2.367 -4.516 -9.579 529 HG3 GLU 63 1HG GLU 63 1.933 -3.085 -8.647 530 H ILE 64 H ILE 64 3.867 -5.995 -5.240 531 HA ILE 64 HA ILE 64 6.573 -6.671 -5.543 532 HB ILE 64 HB ILE 64 4.864 -7.215 -3.112 533 HG12 ILE 64 2HG1 ILE 64 6.278 -4.685 -3.978 534 HG13 ILE 64 1HG1 ILE 64 4.547 -4.902 -3.761 535 HG21 ILE 64 1HG2 ILE 64 7.569 -6.339 -2.625 536 HG22 ILE 64 2HG2 ILE 64 7.545 -7.780 -3.642 537 HG23 ILE 64 3HG2 ILE 64 6.742 -7.795 -2.072 538 HD11 ILE 64 1HD1 ILE 64 4.763 -5.036 -1.414 539 HD12 ILE 64 2HD1 ILE 64 5.745 -3.666 -1.933 540 HD13 ILE 64 3HD1 ILE 64 6.517 -5.195 -1.514 541 H LYS 65 H LYS 65 3.705 -8.612 -5.503 542 HA LYS 65 HA LYS 65 4.855 -11.077 -4.740 543 HB2 LYS 65 2HB LYS 65 2.308 -10.138 -5.799 544 HB3 LYS 65 1HB LYS 65 2.751 -11.716 -6.436 545 HG2 LYS 65 2HG LYS 65 1.515 -12.211 -4.537 546 HG3 LYS 65 1HG LYS 65 3.188 -12.360 -3.992 547 HD2 LYS 65 2HD LYS 65 2.840 -9.808 -3.391 548 HD3 LYS 65 1HD LYS 65 1.146 -10.298 -3.335 549 HE2 LYS 65 2HE LYS 65 1.524 -11.822 -1.603 550 HE3 LYS 65 1HE LYS 65 3.264 -11.847 -1.885 551 HZ1 LYS 65 1HZ LYS 65 2.082 -9.289 -1.138 552 HZ2 LYS 65 2HZ LYS 65 3.575 -9.958 -0.708 553 HZ3 LYS 65 3HZ LYS 65 2.164 -10.471 0.070 554 H LYS 66 H LYS 66 4.659 -9.373 -7.785 555 HA LYS 66 HA LYS 66 5.334 -11.537 -9.477 556 HB2 LYS 66 2HB LYS 66 5.910 -8.610 -9.952 557 HB3 LYS 66 1HB LYS 66 5.761 -9.871 -11.168 558 HG2 LYS 66 2HG LYS 66 3.376 -10.165 -10.386 559 HG3 LYS 66 1HG LYS 66 3.596 -8.675 -9.466 560 HD2 LYS 66 2HD LYS 66 4.520 -7.933 -11.913 561 HD3 LYS 66 1HD LYS 66 3.255 -9.081 -12.355 562 HE2 LYS 66 2HE LYS 66 3.009 -6.556 -10.745 563 HE3 LYS 66 1HE LYS 66 2.205 -6.971 -12.258 564 HZ1 LYS 66 1HZ LYS 66 1.625 -7.923 -9.533 565 HZ2 LYS 66 2HZ LYS 66 1.192 -8.871 -10.865 566 HZ3 LYS 66 3HZ LYS 66 0.564 -7.310 -10.699 567 H LEU 67 H LEU 67 7.358 -8.813 -8.361 568 HA LEU 67 HA LEU 67 9.782 -9.847 -9.295 569 HB2 LEU 67 2HB LEU 67 10.787 -8.265 -7.620 570 HB3 LEU 67 1HB LEU 67 9.678 -7.551 -8.769 571 HG LEU 67 HG LEU 67 8.066 -8.206 -6.600 572 HD11 LEU 67 1HD1 LEU 67 9.333 -6.909 -4.778 573 HD12 LEU 67 2HD1 LEU 67 10.780 -7.320 -5.699 574 HD13 LEU 67 3HD1 LEU 67 9.755 -8.601 -5.051 575 HD21 LEU 67 1HD2 LEU 67 7.427 -6.182 -7.253 576 HD22 LEU 67 2HD2 LEU 67 8.985 -5.867 -8.014 577 HD23 LEU 67 3HD2 LEU 67 8.757 -5.524 -6.301 578 H6 HTS 101 H6 HTS 68 7.668 3.571 3.641 579 H3 HTS 101 H3 HTS 68 7.899 -0.669 1.137 580 H4 HTS 101 H4 HTS 68 9.969 0.552 1.687 581 H5 HTS 101 H5 HTS 68 9.851 2.667 2.945 582 HO1 HTS 101 HO1 HTS 68 5.410 2.863 4.028 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -16.643 0.463 16.355 2 H2 GLY 1 2H GLY 1 -18.304 0.326 16.644 3 H3 GLY 1 3H GLY 1 -17.639 1.826 16.238 4 HA2 GLY 1 1HA GLY 1 -17.849 -0.558 14.484 5 HA3 GLY 1 2HA GLY 1 -18.756 0.939 14.326 6 H SER 2 H SER 2 -15.826 -0.707 13.632 7 HA SER 2 HA SER 2 -14.945 1.591 12.037 8 HB2 SER 2 2HB SER 2 -13.437 0.203 14.188 9 HB3 SER 2 1HB SER 2 -12.539 0.611 12.726 10 HG SER 2 HG SER 2 -12.394 2.502 13.633 11 H ARG 3 H ARG 3 -12.884 0.718 10.698 12 HA ARG 3 HA ARG 3 -12.850 -1.972 9.893 13 HB2 ARG 3 2HB ARG 3 -15.112 -1.368 9.034 14 HB3 ARG 3 1HB ARG 3 -14.359 -0.161 8.001 15 HG2 ARG 3 2HG ARG 3 -13.156 -2.783 7.689 16 HG3 ARG 3 1HG ARG 3 -14.886 -2.784 7.343 17 HD2 ARG 3 2HD ARG 3 -14.108 -0.530 6.059 18 HD3 ARG 3 1HD ARG 3 -12.661 -1.522 5.890 19 HE ARG 3 HE ARG 3 -13.780 -2.717 4.314 20 HH11 ARG 3 1HH1 ARG 3 -16.139 -1.300 6.460 21 HH12 ARG 3 2HH1 ARG 3 -17.497 -1.915 5.578 22 HH21 ARG 3 1HH2 ARG 3 -15.564 -3.527 3.152 23 HH22 ARG 3 2HH2 ARG 3 -17.169 -3.179 3.700 24 H VAL 4 H VAL 4 -12.442 1.382 8.857 25 HA VAL 4 HA VAL 4 -10.464 0.906 6.904 26 HB VAL 4 HB VAL 4 -10.745 3.412 8.563 27 HG11 VAL 4 1HG1 VAL 4 -8.903 3.876 7.340 28 HG12 VAL 4 2HG1 VAL 4 -10.092 4.229 6.086 29 HG13 VAL 4 3HG1 VAL 4 -9.279 2.665 6.115 30 HG21 VAL 4 1HG2 VAL 4 -12.912 3.101 7.766 31 HG22 VAL 4 2HG2 VAL 4 -12.356 2.400 6.246 32 HG23 VAL 4 3HG2 VAL 4 -12.171 4.129 6.539 33 H LYS 5 H LYS 5 -10.331 1.117 10.372 34 HA LYS 5 HA LYS 5 -7.683 1.782 10.821 35 HB2 LYS 5 2HB LYS 5 -9.755 0.267 12.284 36 HB3 LYS 5 1HB LYS 5 -8.097 -0.054 12.774 37 HG2 LYS 5 2HG LYS 5 -8.529 2.775 12.508 38 HG3 LYS 5 1HG LYS 5 -9.738 2.060 13.575 39 HD2 LYS 5 2HD LYS 5 -7.363 0.856 14.350 40 HD3 LYS 5 1HD LYS 5 -6.906 2.528 14.020 41 HE2 LYS 5 2HE LYS 5 -7.567 2.203 16.359 42 HE3 LYS 5 1HE LYS 5 -8.638 3.325 15.522 43 HZ1 LYS 5 1HZ LYS 5 -9.339 0.471 15.677 44 HZ2 LYS 5 2HZ LYS 5 -10.354 1.812 15.505 45 HZ3 LYS 5 3HZ LYS 5 -9.637 1.482 17.001 46 H ALA 6 H ALA 6 -9.089 -1.322 9.931 47 HA ALA 6 HA ALA 6 -6.700 -2.834 10.221 48 HB1 ALA 6 1HB ALA 6 -7.955 -4.613 9.626 49 HB2 ALA 6 2HB ALA 6 -8.701 -3.770 8.268 50 HB3 ALA 6 3HB ALA 6 -9.291 -3.497 9.908 51 H LEU 7 H LEU 7 -7.968 -0.795 7.723 52 HA LEU 7 HA LEU 7 -6.476 -1.840 5.549 53 HB2 LEU 7 2HB LEU 7 -8.490 -0.042 5.789 54 HB3 LEU 7 1HB LEU 7 -7.133 1.038 5.537 55 HG LEU 7 HG LEU 7 -8.071 -1.148 3.684 56 HD11 LEU 7 1HD1 LEU 7 -8.044 1.078 2.213 57 HD12 LEU 7 2HD1 LEU 7 -8.362 1.792 3.794 58 HD13 LEU 7 3HD1 LEU 7 -9.449 0.564 3.145 59 HD21 LEU 7 1HD2 LEU 7 -5.802 -1.255 3.335 60 HD22 LEU 7 2HD2 LEU 7 -5.545 0.436 3.769 61 HD23 LEU 7 3HD2 LEU 7 -6.253 0.023 2.207 62 H GLU 8 H GLU 8 -5.743 0.410 8.110 63 HA GLU 8 HA GLU 8 -3.389 1.471 6.851 64 HB2 GLU 8 2HB GLU 8 -4.297 1.622 9.730 65 HB3 GLU 8 1HB GLU 8 -2.989 2.559 9.021 66 HG2 GLU 8 2HG GLU 8 -4.457 3.822 7.703 67 HG3 GLU 8 1HG GLU 8 -5.787 2.694 7.957 68 H GLU 9 H GLU 9 -4.074 -0.979 9.305 69 HA GLU 9 HA GLU 9 -1.353 -1.479 9.957 70 HB2 GLU 9 2HB GLU 9 -2.148 -3.301 11.253 71 HB3 GLU 9 1HB GLU 9 -3.363 -2.037 11.383 72 HG2 GLU 9 2HG GLU 9 -4.902 -3.478 10.737 73 HG3 GLU 9 1HG GLU 9 -4.088 -3.633 9.181 74 H LYS 10 H LYS 10 -3.343 -2.427 7.332 75 HA LYS 10 HA LYS 10 -2.047 -4.871 6.676 76 HB2 LYS 10 2HB LYS 10 -4.211 -3.304 5.669 77 HB3 LYS 10 1HB LYS 10 -3.128 -3.666 4.333 78 HG2 LYS 10 2HG LYS 10 -3.478 -5.934 4.483 79 HG3 LYS 10 1HG LYS 10 -3.961 -5.854 6.178 80 HD2 LYS 10 2HD LYS 10 -5.841 -4.301 4.831 81 HD3 LYS 10 1HD LYS 10 -5.581 -5.698 3.784 82 HE2 LYS 10 2HE LYS 10 -5.858 -6.302 6.651 83 HE3 LYS 10 1HE LYS 10 -7.302 -5.651 5.875 84 HZ1 LYS 10 1HZ LYS 10 -7.541 -7.477 4.577 85 HZ2 LYS 10 2HZ LYS 10 -6.751 -8.216 5.876 86 HZ3 LYS 10 3HZ LYS 10 -5.882 -7.794 4.489 87 H VAL 11 H VAL 11 -1.811 -1.603 5.273 88 HA VAL 11 HA VAL 11 0.288 -2.213 3.500 89 HB VAL 11 HB VAL 11 -0.330 0.495 4.683 90 HG11 VAL 11 1HG1 VAL 11 1.123 1.372 3.232 91 HG12 VAL 11 2HG1 VAL 11 0.542 0.360 1.909 92 HG13 VAL 11 3HG1 VAL 11 1.743 -0.267 3.036 93 HG21 VAL 11 1HG2 VAL 11 -2.136 0.713 3.364 94 HG22 VAL 11 2HG2 VAL 11 -2.132 -1.050 3.359 95 HG23 VAL 11 3HG2 VAL 11 -1.392 -0.163 2.027 96 H LYS 12 H LYS 12 0.253 -1.333 6.848 97 HA LYS 12 HA LYS 12 2.881 -0.441 7.177 98 HB2 LYS 12 2HB LYS 12 1.071 -0.317 8.900 99 HB3 LYS 12 1HB LYS 12 1.268 -2.042 9.172 100 HG2 LYS 12 2HG LYS 12 3.827 -1.109 9.445 101 HG3 LYS 12 1HG LYS 12 2.864 0.204 10.124 102 HD2 LYS 12 2HD LYS 12 2.918 -1.022 12.007 103 HD3 LYS 12 1HD LYS 12 1.657 -1.975 11.222 104 HE2 LYS 12 2HE LYS 12 3.612 -3.314 10.208 105 HE3 LYS 12 1HE LYS 12 4.589 -2.558 11.465 106 HZ1 LYS 12 1HZ LYS 12 3.613 -3.770 13.079 107 HZ2 LYS 12 2HZ LYS 12 3.306 -4.847 11.810 108 HZ3 LYS 12 3HZ LYS 12 2.096 -3.785 12.330 109 H ALA 13 H ALA 13 1.539 -3.689 7.052 110 HA ALA 13 HA ALA 13 4.059 -4.955 7.696 111 HB1 ALA 13 1HB ALA 13 2.697 -7.014 6.804 112 HB2 ALA 13 2HB ALA 13 1.328 -5.913 6.957 113 HB3 ALA 13 3HB ALA 13 2.311 -6.300 8.369 114 H LEU 14 H LEU 14 2.380 -3.805 4.955 115 HA LEU 14 HA LEU 14 3.569 -5.316 2.900 116 HB2 LEU 14 2HB LEU 14 1.523 -3.690 2.965 117 HB3 LEU 14 1HB LEU 14 2.709 -2.464 2.575 118 HG LEU 14 HG LEU 14 2.579 -4.917 0.876 119 HD11 LEU 14 1HD1 LEU 14 0.614 -2.634 0.774 120 HD12 LEU 14 2HD1 LEU 14 0.255 -4.332 1.082 121 HD13 LEU 14 3HD1 LEU 14 0.835 -3.827 -0.505 122 HD21 LEU 14 1HD2 LEU 14 3.561 -3.603 -0.720 123 HD22 LEU 14 2HD2 LEU 14 4.196 -2.844 0.740 124 HD23 LEU 14 3HD2 LEU 14 2.829 -2.119 -0.108 125 H GLU 15 H GLU 15 4.666 -2.649 4.813 126 HA GLU 15 HA GLU 15 6.748 -1.812 3.024 127 HB2 GLU 15 2HB GLU 15 5.814 -0.153 4.466 128 HB3 GLU 15 1HB GLU 15 6.077 -1.147 5.891 129 HG2 GLU 15 2HG GLU 15 8.507 -0.898 5.582 130 HG3 GLU 15 1HG GLU 15 8.203 0.151 4.199 131 H GLU 16 H GLU 16 6.615 -3.613 6.089 132 HA GLU 16 HA GLU 16 9.306 -4.024 6.516 133 HB2 GLU 16 2HB GLU 16 7.062 -5.988 7.015 134 HB3 GLU 16 1HB GLU 16 8.659 -6.057 7.746 135 HG2 GLU 16 2HG GLU 16 7.830 -3.517 8.354 136 HG3 GLU 16 1HG GLU 16 6.339 -4.452 8.458 137 H LYS 17 H LYS 17 7.203 -5.555 4.191 138 HA LYS 17 HA LYS 17 9.015 -7.673 3.527 139 HB2 LYS 17 2HB LYS 17 6.513 -7.736 3.208 140 HB3 LYS 17 1HB LYS 17 6.725 -6.625 1.861 141 HG2 LYS 17 2HG LYS 17 7.931 -8.225 0.609 142 HG3 LYS 17 1HG LYS 17 8.108 -9.288 2.006 143 HD2 LYS 17 2HD LYS 17 5.691 -9.662 2.027 144 HD3 LYS 17 1HD LYS 17 5.510 -8.592 0.636 145 HE2 LYS 17 2HE LYS 17 7.443 -10.798 0.331 146 HE3 LYS 17 1HE LYS 17 5.749 -11.270 0.451 147 HZ1 LYS 17 1HZ LYS 17 7.132 -9.850 -1.670 148 HZ2 LYS 17 2HZ LYS 17 5.584 -9.277 -1.301 149 HZ3 LYS 17 3HZ LYS 17 5.802 -10.893 -1.752 150 H VAL 18 H VAL 18 8.278 -4.479 2.226 151 HA VAL 18 HA VAL 18 9.979 -4.783 -0.065 152 HB VAL 18 HB VAL 18 8.937 -2.212 1.082 153 HG11 VAL 18 1HG1 VAL 18 9.276 -1.288 -1.066 154 HG12 VAL 18 2HG1 VAL 18 9.559 -2.874 -1.782 155 HG13 VAL 18 3HG1 VAL 18 10.748 -2.180 -0.681 156 HG21 VAL 18 1HG2 VAL 18 6.921 -2.463 -0.033 157 HG22 VAL 18 2HG2 VAL 18 7.215 -4.090 0.581 158 HG23 VAL 18 3HG2 VAL 18 7.557 -3.710 -1.107 159 H LYS 19 H LYS 19 10.154 -2.731 2.846 160 HA LYS 19 HA LYS 19 12.654 -1.660 2.420 161 HB2 LYS 19 2HB LYS 19 11.183 -2.320 4.958 162 HB3 LYS 19 1HB LYS 19 12.763 -1.548 4.986 163 HG2 LYS 19 2HG LYS 19 11.370 -0.007 3.194 164 HG3 LYS 19 1HG LYS 19 10.144 -0.433 4.389 165 HD2 LYS 19 2HD LYS 19 10.994 1.413 5.412 166 HD3 LYS 19 1HD LYS 19 12.113 0.212 6.058 167 HE2 LYS 19 2HE LYS 19 13.646 1.705 5.310 168 HE3 LYS 19 1HE LYS 19 13.407 0.818 3.805 169 HZ1 LYS 19 1HZ LYS 19 11.597 3.041 4.281 170 HZ2 LYS 19 2HZ LYS 19 12.350 2.545 2.851 171 HZ3 LYS 19 3HZ LYS 19 13.211 3.454 3.988 172 H ALA 20 H ALA 20 11.823 -4.873 3.371 173 HA ALA 20 HA ALA 20 14.516 -5.498 4.268 174 HB1 ALA 20 1HB ALA 20 12.088 -7.265 3.977 175 HB2 ALA 20 2HB ALA 20 12.644 -6.493 5.462 176 HB3 ALA 20 3HB ALA 20 13.626 -7.741 4.695 177 H LEU 21 H LEU 21 12.680 -5.550 1.377 178 HA LEU 21 HA LEU 21 14.546 -7.434 0.121 179 HB2 LEU 21 2HB LEU 21 12.948 -7.892 -1.492 180 HB3 LEU 21 1HB LEU 21 11.986 -7.673 -0.045 181 HG LEU 21 HG LEU 21 11.724 -5.222 -0.894 182 HD11 LEU 21 1HD1 LEU 21 11.661 -6.033 -3.621 183 HD12 LEU 21 2HD1 LEU 21 13.276 -6.328 -2.977 184 HD13 LEU 21 3HD1 LEU 21 12.568 -4.717 -2.875 185 HD21 LEU 21 1HD2 LEU 21 9.982 -7.036 -0.712 186 HD22 LEU 21 2HD2 LEU 21 10.309 -7.404 -2.406 187 HD23 LEU 21 3HD2 LEU 21 9.691 -5.816 -1.952 188 H GLY 22 H GLY 22 15.373 -6.900 -2.033 189 HA2 GLY 22 2HA GLY 22 15.272 -4.231 -3.022 190 HA3 GLY 22 1HA GLY 22 16.749 -4.501 -2.112 191 H GLY 23 H GLY 23 16.454 -3.914 -4.942 192 HA2 GLY 23 2HA GLY 23 18.189 -4.733 -6.470 193 HA3 GLY 23 1HA GLY 23 17.715 -6.361 -6.015 194 H GLY 24 H GLY 24 17.024 -3.625 -8.018 195 HA2 GLY 24 2HA GLY 24 16.074 -4.462 -10.227 196 HA3 GLY 24 1HA GLY 24 14.765 -5.084 -9.233 197 H GLY 25 H GLY 25 14.477 -3.252 -11.392 198 HA2 GLY 25 2HA GLY 25 14.159 -0.598 -10.340 199 HA3 GLY 25 1HA GLY 25 13.628 -1.167 -11.915 200 H ARG 26 H ARG 26 12.123 -3.404 -10.651 201 HA ARG 26 HA ARG 26 9.598 -2.232 -10.542 202 HB2 ARG 26 2HB ARG 26 10.547 -4.790 -10.609 203 HB3 ARG 26 1HB ARG 26 9.922 -4.704 -8.970 204 HG2 ARG 26 2HG ARG 26 8.439 -4.383 -11.556 205 HG3 ARG 26 1HG ARG 26 8.164 -5.547 -10.257 206 HD2 ARG 26 2HD ARG 26 6.479 -4.099 -9.785 207 HD3 ARG 26 1HD ARG 26 7.766 -3.320 -8.867 208 HE ARG 26 HE ARG 26 7.694 -1.556 -10.328 209 HH11 ARG 26 1HH1 ARG 26 5.981 -4.257 -11.725 210 HH12 ARG 26 2HH1 ARG 26 5.349 -3.333 -13.047 211 HH21 ARG 26 1HH2 ARG 26 6.864 -0.339 -12.065 212 HH22 ARG 26 2HH2 ARG 26 5.849 -1.109 -13.240 213 H ILE 27 H ILE 27 11.890 -2.969 -7.980 214 HA ILE 27 HA ILE 27 10.194 -2.527 -5.784 215 HB ILE 27 HB ILE 27 13.175 -2.061 -5.879 216 HG12 ILE 27 2HG1 ILE 27 11.867 -4.606 -4.972 217 HG13 ILE 27 1HG1 ILE 27 12.201 -4.348 -6.680 218 HG21 ILE 27 1HG2 ILE 27 12.068 -1.171 -3.885 219 HG22 ILE 27 2HG2 ILE 27 13.101 -2.546 -3.494 220 HG23 ILE 27 3HG2 ILE 27 11.352 -2.753 -3.579 221 HD11 ILE 27 1HD1 ILE 27 14.131 -5.367 -6.137 222 HD12 ILE 27 2HD1 ILE 27 14.041 -4.879 -4.445 223 HD13 ILE 27 3HD1 ILE 27 14.598 -3.734 -5.665 224 H GLU 28 H GLU 28 11.953 -0.306 -7.833 225 HA GLU 28 HA GLU 28 11.946 1.930 -6.125 226 HB2 GLU 28 2HB GLU 28 12.167 1.566 -9.090 227 HB3 GLU 28 1HB GLU 28 12.008 3.183 -8.420 228 HG2 GLU 28 2HG GLU 28 14.017 1.664 -7.016 229 HG3 GLU 28 1HG GLU 28 14.344 1.719 -8.747 230 H GLU 29 H GLU 29 9.733 1.173 -8.834 231 HA GLU 29 HA GLU 29 7.991 3.324 -8.398 232 HB2 GLU 29 2HB GLU 29 7.953 2.105 -10.483 233 HB3 GLU 29 1HB GLU 29 7.489 0.623 -9.659 234 HG2 GLU 29 2HG GLU 29 5.343 1.126 -9.857 235 HG3 GLU 29 1HG GLU 29 5.593 2.678 -9.059 236 H LEU 30 H LEU 30 8.254 0.250 -6.812 237 HA LEU 30 HA LEU 30 5.642 0.302 -5.640 238 HB2 LEU 30 2HB LEU 30 8.094 -1.323 -4.984 239 HB3 LEU 30 1HB LEU 30 6.529 -1.554 -4.228 240 HG LEU 30 HG LEU 30 7.057 -1.861 -7.180 241 HD11 LEU 30 1HD1 LEU 30 8.019 -3.789 -6.597 242 HD12 LEU 30 2HD1 LEU 30 6.390 -4.329 -6.192 243 HD13 LEU 30 3HD1 LEU 30 7.442 -3.680 -4.935 244 HD21 LEU 30 1HD2 LEU 30 4.870 -2.365 -7.458 245 HD22 LEU 30 2HD2 LEU 30 4.699 -1.292 -6.072 246 HD23 LEU 30 3HD2 LEU 30 4.701 -3.039 -5.838 247 H LYS 31 H LYS 31 8.683 1.705 -4.864 248 HA LYS 31 HA LYS 31 8.198 1.982 -2.047 249 HB2 LYS 31 2HB LYS 31 10.473 1.861 -2.947 250 HB3 LYS 31 1HB LYS 31 10.205 3.343 -3.851 251 HG2 LYS 31 2HG LYS 31 10.527 4.655 -2.058 252 HG3 LYS 31 1HG LYS 31 9.721 3.531 -0.961 253 HD2 LYS 31 2HD LYS 31 11.647 2.259 -0.653 254 HD3 LYS 31 1HD LYS 31 12.399 2.869 -2.129 255 HE2 LYS 31 2HE LYS 31 12.238 5.169 -0.848 256 HE3 LYS 31 1HE LYS 31 12.202 4.118 0.567 257 HZ1 LYS 31 1HZ LYS 31 14.241 3.074 -0.803 258 HZ2 LYS 31 2HZ LYS 31 14.421 4.266 0.383 259 HZ3 LYS 31 3HZ LYS 31 14.381 4.699 -1.251 260 H LYS 32 H LYS 32 8.445 4.390 -4.672 261 HA LYS 32 HA LYS 32 7.614 6.604 -3.252 262 HB2 LYS 32 2HB LYS 32 8.278 6.060 -5.877 263 HB3 LYS 32 1HB LYS 32 6.602 6.577 -5.995 264 HG2 LYS 32 2HG LYS 32 7.063 8.696 -5.165 265 HG3 LYS 32 1HG LYS 32 8.587 8.185 -4.438 266 HD2 LYS 32 2HD LYS 32 9.193 7.662 -6.962 267 HD3 LYS 32 1HD LYS 32 7.962 8.892 -7.259 268 HE2 LYS 32 2HE LYS 32 10.300 9.282 -5.400 269 HE3 LYS 32 1HE LYS 32 10.320 9.746 -7.101 270 HZ1 LYS 32 1HZ LYS 32 9.749 11.643 -5.801 271 HZ2 LYS 32 2HZ LYS 32 8.527 10.804 -4.986 272 HZ3 LYS 32 3HZ LYS 32 8.357 11.157 -6.631 273 H LYS 33 H LYS 33 5.658 4.125 -4.792 274 HA LYS 33 HA LYS 33 3.183 5.520 -4.319 275 HB2 LYS 33 2HB LYS 33 4.009 3.480 -6.024 276 HB3 LYS 33 1HB LYS 33 2.898 2.695 -4.912 277 HG2 LYS 33 2HG LYS 33 2.285 5.167 -6.516 278 HG3 LYS 33 1HG LYS 33 1.784 3.527 -6.932 279 HD2 LYS 33 2HD LYS 33 1.019 5.023 -4.424 280 HD3 LYS 33 1HD LYS 33 -0.018 4.772 -5.830 281 HE2 LYS 33 2HE LYS 33 0.576 2.240 -5.378 282 HE3 LYS 33 1HE LYS 33 0.868 2.839 -3.746 283 HZ1 LYS 33 1HZ LYS 33 -1.322 2.443 -3.538 284 HZ2 LYS 33 2HZ LYS 33 -1.630 2.557 -5.197 285 HZ3 LYS 33 3HZ LYS 33 -1.483 3.961 -4.266 286 H CYS 34 H CYS 34 5.119 3.206 -2.629 287 HA CYS 34 HA CYS 34 3.150 1.987 -1.034 288 HB2 CYS 34 2HB CYS 34 5.948 1.882 -1.300 289 HB3 CYS 34 1HB CYS 34 5.656 2.283 0.382 290 H GLU 35 H GLU 35 5.398 4.619 -0.128 291 HA GLU 35 HA GLU 35 4.124 5.120 2.343 292 HB2 GLU 35 2HB GLU 35 5.497 7.232 2.327 293 HB3 GLU 35 1HB GLU 35 6.403 5.735 2.159 294 HG2 GLU 35 2HG GLU 35 7.277 6.418 0.251 295 HG3 GLU 35 1HG GLU 35 5.675 6.703 -0.422 296 H GLU 36 H GLU 36 3.944 6.779 -0.793 297 HA GLU 36 HA GLU 36 2.342 8.917 -0.040 298 HB2 GLU 36 2HB GLU 36 3.405 8.732 -2.248 299 HB3 GLU 36 1HB GLU 36 2.325 7.409 -2.664 300 HG2 GLU 36 2HG GLU 36 0.409 8.941 -2.454 301 HG3 GLU 36 1HG GLU 36 1.530 10.260 -2.121 302 H LEU 37 H LEU 37 1.555 5.587 -0.528 303 HA LEU 37 HA LEU 37 -1.254 5.876 -0.810 304 HB2 LEU 37 2HB LEU 37 -0.333 3.882 -1.632 305 HB3 LEU 37 1HB LEU 37 0.589 3.599 -0.172 306 HG LEU 37 HG LEU 37 -1.341 2.878 1.022 307 HD11 LEU 37 1HD1 LEU 37 -3.485 3.348 0.520 308 HD12 LEU 37 2HD1 LEU 37 -3.243 3.110 -1.210 309 HD13 LEU 37 3HD1 LEU 37 -2.774 4.633 -0.457 310 HD21 LEU 37 1HD2 LEU 37 -0.288 1.507 -1.046 311 HD22 LEU 37 2HD2 LEU 37 -1.986 1.546 -1.519 312 HD23 LEU 37 3HD2 LEU 37 -1.521 0.863 0.038 313 H LYS 38 H LYS 38 0.872 5.226 1.947 314 HA LYS 38 HA LYS 38 -1.077 4.698 3.867 315 HB2 LYS 38 2HB LYS 38 1.755 5.433 3.852 316 HB3 LYS 38 1HB LYS 38 0.901 5.996 5.283 317 HG2 LYS 38 2HG LYS 38 0.009 3.439 5.111 318 HG3 LYS 38 1HG LYS 38 1.646 3.281 4.474 319 HD2 LYS 38 2HD LYS 38 2.183 4.799 6.599 320 HD3 LYS 38 1HD LYS 38 0.721 4.011 7.197 321 HE2 LYS 38 2HE LYS 38 2.642 2.208 5.906 322 HE3 LYS 38 1HE LYS 38 3.237 2.980 7.375 323 HZ1 LYS 38 1HZ LYS 38 0.799 2.213 8.145 324 HZ2 LYS 38 2HZ LYS 38 2.189 1.274 8.359 325 HZ3 LYS 38 3HZ LYS 38 1.166 0.981 7.045 326 H LYS 39 H LYS 39 0.585 7.807 3.300 327 HA LYS 39 HA LYS 39 -0.824 9.366 5.076 328 HB2 LYS 39 2HB LYS 39 -0.134 11.281 3.766 329 HB3 LYS 39 1HB LYS 39 1.171 10.104 3.815 330 HG2 LYS 39 2HG LYS 39 0.464 9.312 1.573 331 HG3 LYS 39 1HG LYS 39 -0.709 10.629 1.527 332 HD2 LYS 39 2HD LYS 39 1.620 11.914 2.215 333 HD3 LYS 39 1HD LYS 39 2.179 10.669 1.096 334 HE2 LYS 39 2HE LYS 39 1.009 11.540 -0.672 335 HE3 LYS 39 1HE LYS 39 -0.222 12.266 0.361 336 HZ1 LYS 39 1HZ LYS 39 2.570 13.254 0.229 337 HZ2 LYS 39 2HZ LYS 39 1.238 14.017 0.937 338 HZ3 LYS 39 3HZ LYS 39 1.327 13.864 -0.744 339 H LYS 40 H LYS 40 -1.843 8.157 1.972 340 HA LYS 40 HA LYS 40 -4.025 9.950 1.606 341 HB2 LYS 40 2HB LYS 40 -3.026 8.692 -0.256 342 HB3 LYS 40 1HB LYS 40 -3.582 7.186 0.460 343 HG2 LYS 40 2HG LYS 40 -5.755 7.538 -0.140 344 HG3 LYS 40 1HG LYS 40 -5.592 9.295 -0.118 345 HD2 LYS 40 2HD LYS 40 -3.947 8.810 -2.130 346 HD3 LYS 40 1HD LYS 40 -4.923 7.346 -2.265 347 HE2 LYS 40 2HE LYS 40 -6.827 9.287 -1.957 348 HE3 LYS 40 1HE LYS 40 -5.592 10.125 -2.896 349 HZ1 LYS 40 1HZ LYS 40 -7.135 7.714 -3.611 350 HZ2 LYS 40 2HZ LYS 40 -5.653 8.039 -4.359 351 HZ3 LYS 40 3HZ LYS 40 -6.928 9.143 -4.494 352 H ILE 41 H ILE 41 -3.579 7.017 3.415 353 HA ILE 41 HA ILE 41 -6.384 6.465 3.730 354 HB ILE 41 HB ILE 41 -4.199 5.425 5.522 355 HG12 ILE 41 2HG1 ILE 41 -4.995 4.439 2.775 356 HG13 ILE 41 1HG1 ILE 41 -3.420 5.053 3.260 357 HG21 ILE 41 1HG2 ILE 41 -5.906 4.331 6.429 358 HG22 ILE 41 2HG2 ILE 41 -6.095 3.455 4.909 359 HG23 ILE 41 3HG2 ILE 41 -7.013 4.934 5.195 360 HD11 ILE 41 1HD1 ILE 41 -4.684 2.553 4.351 361 HD12 ILE 41 2HD1 ILE 41 -3.051 3.141 4.663 362 HD13 ILE 41 3HD1 ILE 41 -3.499 2.600 3.045 363 H GLU 42 H GLU 42 -3.956 8.313 5.417 364 HA GLU 42 HA GLU 42 -5.305 8.582 7.888 365 HB2 GLU 42 2HB GLU 42 -2.989 9.803 6.556 366 HB3 GLU 42 1HB GLU 42 -3.830 10.888 7.655 367 HG2 GLU 42 2HG GLU 42 -3.106 9.811 9.470 368 HG3 GLU 42 1HG GLU 42 -3.355 8.221 8.750 369 H GLU 43 H GLU 43 -5.364 10.415 4.881 370 HA GLU 43 HA GLU 43 -6.976 12.543 5.843 371 HB2 GLU 43 2HB GLU 43 -6.984 13.328 3.666 372 HB3 GLU 43 1HB GLU 43 -5.514 12.368 3.683 373 HG2 GLU 43 2HG GLU 43 -7.191 10.495 2.837 374 HG3 GLU 43 1HG GLU 43 -8.073 11.909 2.269 375 H LEU 44 H LEU 44 -7.636 9.421 4.425 376 HA LEU 44 HA LEU 44 -10.317 9.654 3.774 377 HB2 LEU 44 2HB LEU 44 -8.518 7.430 4.544 378 HB3 LEU 44 1HB LEU 44 -10.238 7.109 4.642 379 HG LEU 44 HG LEU 44 -8.977 8.203 2.140 380 HD11 LEU 44 1HD1 LEU 44 -8.897 5.464 3.235 381 HD12 LEU 44 2HD1 LEU 44 -7.811 6.269 2.103 382 HD13 LEU 44 3HD1 LEU 44 -9.349 5.617 1.537 383 HD21 LEU 44 1HD2 LEU 44 -10.974 7.057 1.138 384 HD22 LEU 44 2HD2 LEU 44 -11.344 8.435 2.175 385 HD23 LEU 44 3HD2 LEU 44 -11.559 6.792 2.780 386 H GLY 45 H GLY 45 -12.008 8.185 5.073 387 HA2 GLY 45 2HA GLY 45 -11.868 8.777 7.937 388 HA3 GLY 45 1HA GLY 45 -13.198 9.475 7.026 389 H GLY 46 H GLY 46 -14.403 7.785 5.634 390 HA2 GLY 46 2HA GLY 46 -14.643 5.187 5.767 391 HA3 GLY 46 1HA GLY 46 -15.048 5.562 7.435 392 H GLY 47 H GLY 47 -16.104 5.656 4.128 393 HA2 GLY 47 2HA GLY 47 -18.837 5.597 4.853 394 HA3 GLY 47 1HA GLY 47 -18.400 7.222 4.349 395 H GLY 48 H GLY 48 -16.488 6.454 2.355 396 HA2 GLY 48 2HA GLY 48 -17.682 4.647 0.497 397 HA3 GLY 48 1HA GLY 48 -18.069 6.314 0.098 398 H GLU 49 H GLU 49 -15.618 7.497 0.896 399 HA GLU 49 HA GLU 49 -14.102 7.099 -1.452 400 HB2 GLU 49 2HB GLU 49 -14.227 9.214 -0.076 401 HB3 GLU 49 1HB GLU 49 -13.127 8.446 1.063 402 HG2 GLU 49 2HG GLU 49 -11.788 8.068 -1.252 403 HG3 GLU 49 1HG GLU 49 -12.609 9.592 -1.590 404 H VAL 50 H VAL 50 -14.143 5.370 1.473 405 HA VAL 50 HA VAL 50 -11.435 4.609 1.663 406 HB VAL 50 HB VAL 50 -13.810 2.941 2.493 407 HG11 VAL 50 1HG1 VAL 50 -10.933 3.031 3.379 408 HG12 VAL 50 2HG1 VAL 50 -11.787 1.690 2.617 409 HG13 VAL 50 3HG1 VAL 50 -12.203 2.180 4.260 410 HG21 VAL 50 1HG2 VAL 50 -12.547 5.338 3.767 411 HG22 VAL 50 2HG2 VAL 50 -13.309 4.092 4.755 412 HG23 VAL 50 3HG2 VAL 50 -14.255 4.960 3.547 413 H LYS 51 H LYS 51 -13.816 3.821 -0.633 414 HA LYS 51 HA LYS 51 -12.941 1.191 -1.283 415 HB2 LYS 51 2HB LYS 51 -15.118 2.773 -1.929 416 HB3 LYS 51 1HB LYS 51 -14.250 2.631 -3.451 417 HG2 LYS 51 2HG LYS 51 -14.255 0.054 -2.441 418 HG3 LYS 51 1HG LYS 51 -15.855 0.680 -2.041 419 HD2 LYS 51 2HD LYS 51 -16.500 0.777 -4.204 420 HD3 LYS 51 1HD LYS 51 -14.901 1.272 -4.765 421 HE2 LYS 51 2HE LYS 51 -15.331 -0.893 -5.659 422 HE3 LYS 51 1HE LYS 51 -14.133 -1.078 -4.379 423 HZ1 LYS 51 1HZ LYS 51 -15.629 -2.776 -3.973 424 HZ2 LYS 51 2HZ LYS 51 -16.982 -1.840 -4.364 425 HZ3 LYS 51 3HZ LYS 51 -16.159 -1.570 -2.911 426 H LYS 52 H LYS 52 -12.485 4.339 -2.946 427 HA LYS 52 HA LYS 52 -10.925 3.403 -5.040 428 HB2 LYS 52 2HB LYS 52 -9.922 5.752 -5.035 429 HB3 LYS 52 1HB LYS 52 -11.663 5.618 -5.229 430 HG2 LYS 52 2HG LYS 52 -11.380 5.847 -2.519 431 HG3 LYS 52 1HG LYS 52 -10.098 6.889 -3.130 432 HD2 LYS 52 2HD LYS 52 -12.565 7.256 -4.604 433 HD3 LYS 52 1HD LYS 52 -12.797 7.526 -2.876 434 HE2 LYS 52 2HE LYS 52 -10.822 9.050 -2.925 435 HE3 LYS 52 1HE LYS 52 -10.789 8.870 -4.678 436 HZ1 LYS 52 1HZ LYS 52 -12.132 10.787 -3.393 437 HZ2 LYS 52 2HZ LYS 52 -13.353 9.629 -3.566 438 HZ3 LYS 52 3HZ LYS 52 -12.547 10.218 -4.932 439 H VAL 53 H VAL 53 -9.712 4.850 -2.008 440 HA VAL 53 HA VAL 53 -7.003 4.413 -2.461 441 HB VAL 53 HB VAL 53 -8.305 4.252 0.256 442 HG11 VAL 53 1HG1 VAL 53 -5.686 5.553 -0.314 443 HG12 VAL 53 2HG1 VAL 53 -5.770 3.792 -0.246 444 HG13 VAL 53 3HG1 VAL 53 -6.253 4.754 1.152 445 HG21 VAL 53 1HG2 VAL 53 -7.898 6.569 -1.568 446 HG22 VAL 53 2HG2 VAL 53 -7.665 6.806 0.163 447 HG23 VAL 53 3HG2 VAL 53 -9.217 6.232 -0.447 448 H GLU 54 H GLU 54 -9.479 2.209 -1.347 449 HA GLU 54 HA GLU 54 -7.828 0.195 -0.293 450 HB2 GLU 54 2HB GLU 54 -10.592 0.558 -0.801 451 HB3 GLU 54 1HB GLU 54 -10.130 -0.957 -1.562 452 HG2 GLU 54 2HG GLU 54 -9.591 -0.239 1.309 453 HG3 GLU 54 1HG GLU 54 -10.936 -1.231 0.747 454 H GLU 55 H GLU 55 -8.772 0.986 -3.564 455 HA GLU 55 HA GLU 55 -7.776 -1.449 -4.714 456 HB2 GLU 55 2HB GLU 55 -9.589 -0.104 -5.752 457 HB3 GLU 55 1HB GLU 55 -8.426 1.176 -6.066 458 HG2 GLU 55 2HG GLU 55 -7.143 -0.362 -7.485 459 HG3 GLU 55 1HG GLU 55 -8.354 -1.610 -7.200 460 H GLU 56 H GLU 56 -6.484 1.679 -3.939 461 HA GLU 56 HA GLU 56 -4.219 1.617 -5.637 462 HB2 GLU 56 2HB GLU 56 -5.069 3.190 -3.253 463 HB3 GLU 56 1HB GLU 56 -3.371 3.235 -3.701 464 HG2 GLU 56 2HG GLU 56 -4.432 3.717 -6.093 465 HG3 GLU 56 1HG GLU 56 -5.733 4.348 -5.084 466 H VAL 57 H VAL 57 -4.910 0.265 -2.501 467 HA VAL 57 HA VAL 57 -2.147 -0.364 -1.920 468 HB VAL 57 HB VAL 57 -4.581 -1.433 -0.495 469 HG11 VAL 57 1HG1 VAL 57 -2.961 -1.465 1.428 470 HG12 VAL 57 2HG1 VAL 57 -1.686 -1.111 0.262 471 HG13 VAL 57 3HG1 VAL 57 -2.614 -2.605 0.129 472 HG21 VAL 57 1HG2 VAL 57 -3.836 1.270 -0.730 473 HG22 VAL 57 2HG2 VAL 57 -3.346 0.755 0.884 474 HG23 VAL 57 3HG2 VAL 57 -5.021 0.566 0.368 475 H LYS 58 H LYS 58 -4.863 -1.885 -3.427 476 HA LYS 58 HA LYS 58 -3.942 -4.574 -3.169 477 HB2 LYS 58 2HB LYS 58 -6.228 -3.202 -4.277 478 HB3 LYS 58 1HB LYS 58 -5.644 -4.429 -5.395 479 HG2 LYS 58 2HG LYS 58 -5.860 -5.287 -2.592 480 HG3 LYS 58 1HG LYS 58 -7.385 -4.901 -3.391 481 HD2 LYS 58 2HD LYS 58 -6.106 -6.378 -5.301 482 HD3 LYS 58 1HD LYS 58 -5.548 -7.146 -3.814 483 HE2 LYS 58 2HE LYS 58 -7.784 -7.580 -3.109 484 HE3 LYS 58 1HE LYS 58 -8.447 -6.585 -4.405 485 HZ1 LYS 58 1HZ LYS 58 -8.445 -9.119 -4.681 486 HZ2 LYS 58 2HZ LYS 58 -6.798 -8.949 -5.024 487 HZ3 LYS 58 3HZ LYS 58 -7.946 -8.172 -5.992 488 H LYS 59 H LYS 59 -3.378 -1.992 -5.437 489 HA LYS 59 HA LYS 59 -2.375 -3.663 -7.532 490 HB2 LYS 59 2HB LYS 59 -3.301 -1.507 -8.092 491 HB3 LYS 59 1HB LYS 59 -2.151 -0.689 -7.044 492 HG2 LYS 59 2HG LYS 59 -0.836 -2.329 -9.046 493 HG3 LYS 59 1HG LYS 59 -1.894 -1.111 -9.760 494 HD2 LYS 59 2HD LYS 59 0.070 -0.415 -7.596 495 HD3 LYS 59 1HD LYS 59 0.548 -0.460 -9.295 496 HE2 LYS 59 2HE LYS 59 -0.128 1.670 -9.364 497 HE3 LYS 59 1HE LYS 59 -1.764 1.013 -9.365 498 HZ1 LYS 59 1HZ LYS 59 -0.324 2.391 -7.262 499 HZ2 LYS 59 2HZ LYS 59 -1.221 1.050 -6.751 500 HZ3 LYS 59 3HZ LYS 59 -1.986 2.318 -7.569 501 H LEU 60 H LEU 60 -0.895 -1.834 -4.885 502 HA LEU 60 HA LEU 60 1.770 -2.344 -5.821 503 HB2 LEU 60 2HB LEU 60 1.013 -0.375 -4.385 504 HB3 LEU 60 1HB LEU 60 1.041 -1.492 -3.032 505 HG LEU 60 HG LEU 60 3.507 -1.586 -4.568 506 HD11 LEU 60 1HD1 LEU 60 2.389 1.021 -3.992 507 HD12 LEU 60 2HD1 LEU 60 3.800 0.577 -4.952 508 HD13 LEU 60 3HD1 LEU 60 3.946 0.770 -3.206 509 HD21 LEU 60 1HD2 LEU 60 2.943 -0.940 -1.681 510 HD22 LEU 60 2HD2 LEU 60 4.499 -1.400 -2.372 511 HD23 LEU 60 3HD2 LEU 60 3.172 -2.560 -2.341 512 H GLU 61 H GLU 61 -0.470 -3.995 -3.758 513 HA GLU 61 HA GLU 61 1.432 -5.572 -2.353 514 HB2 GLU 61 2HB GLU 61 -1.248 -5.127 -2.104 515 HB3 GLU 61 1HB GLU 61 -1.234 -6.742 -2.798 516 HG2 GLU 61 2HG GLU 61 0.476 -7.280 -0.949 517 HG3 GLU 61 1HG GLU 61 -0.115 -5.801 -0.194 518 H GLU 62 H GLU 62 -0.757 -6.334 -5.048 519 HA GLU 62 HA GLU 62 0.288 -8.887 -5.586 520 HB2 GLU 62 2HB GLU 62 -1.869 -7.490 -6.444 521 HB3 GLU 62 1HB GLU 62 -0.829 -7.353 -7.855 522 HG2 GLU 62 2HG GLU 62 -0.718 -9.715 -8.102 523 HG3 GLU 62 1HG GLU 62 -1.501 -9.972 -6.543 524 H GLU 63 H GLU 63 1.322 -5.701 -6.475 525 HA GLU 63 HA GLU 63 2.875 -6.308 -8.731 526 HB2 GLU 63 2HB GLU 63 2.582 -4.063 -6.864 527 HB3 GLU 63 1HB GLU 63 4.180 -4.186 -7.584 528 HG2 GLU 63 2HG GLU 63 3.011 -4.324 -9.823 529 HG3 GLU 63 1HG GLU 63 1.540 -3.855 -8.972 530 H ILE 64 H ILE 64 3.813 -6.060 -5.302 531 HA ILE 64 HA ILE 64 6.526 -6.622 -5.617 532 HB ILE 64 HB ILE 64 4.837 -7.440 -3.251 533 HG12 ILE 64 2HG1 ILE 64 6.148 -4.784 -3.868 534 HG13 ILE 64 1HG1 ILE 64 4.423 -5.092 -3.762 535 HG21 ILE 64 1HG2 ILE 64 7.156 -8.330 -3.371 536 HG22 ILE 64 2HG2 ILE 64 6.865 -7.285 -1.981 537 HG23 ILE 64 3HG2 ILE 64 7.747 -6.669 -3.379 538 HD11 ILE 64 1HD1 ILE 64 6.159 -5.646 -1.406 539 HD12 ILE 64 2HD1 ILE 64 4.447 -5.231 -1.468 540 HD13 ILE 64 3HD1 ILE 64 5.666 -3.993 -1.775 541 H LYS 65 H LYS 65 3.752 -8.718 -5.657 542 HA LYS 65 HA LYS 65 5.090 -11.163 -5.155 543 HB2 LYS 65 2HB LYS 65 2.430 -10.314 -6.071 544 HB3 LYS 65 1HB LYS 65 2.944 -11.869 -6.710 545 HG2 LYS 65 2HG LYS 65 1.680 -12.185 -4.683 546 HG3 LYS 65 1HG LYS 65 3.361 -12.653 -4.420 547 HD2 LYS 65 2HD LYS 65 3.818 -10.708 -3.176 548 HD3 LYS 65 1HD LYS 65 2.344 -9.911 -3.731 549 HE2 LYS 65 2HE LYS 65 2.316 -10.792 -1.359 550 HE3 LYS 65 1HE LYS 65 0.976 -11.288 -2.391 551 HZ1 LYS 65 1HZ LYS 65 2.367 -12.989 -0.924 552 HZ2 LYS 65 2HZ LYS 65 3.296 -13.046 -2.336 553 HZ3 LYS 65 3HZ LYS 65 1.650 -13.428 -2.392 554 H LYS 66 H LYS 66 4.635 -9.216 -8.013 555 HA LYS 66 HA LYS 66 5.321 -11.208 -9.917 556 HB2 LYS 66 2HB LYS 66 5.323 -8.194 -10.015 557 HB3 LYS 66 1HB LYS 66 5.783 -9.183 -11.394 558 HG2 LYS 66 2HG LYS 66 3.456 -10.326 -10.907 559 HG3 LYS 66 1HG LYS 66 3.116 -8.764 -10.159 560 HD2 LYS 66 2HD LYS 66 4.327 -8.847 -12.887 561 HD3 LYS 66 1HD LYS 66 2.602 -9.170 -12.699 562 HE2 LYS 66 2HE LYS 66 2.920 -6.941 -11.161 563 HE3 LYS 66 1HE LYS 66 4.094 -6.657 -12.447 564 HZ1 LYS 66 1HZ LYS 66 2.484 -6.435 -13.993 565 HZ2 LYS 66 2HZ LYS 66 1.544 -5.999 -12.656 566 HZ3 LYS 66 3HZ LYS 66 1.456 -7.572 -13.273 567 H LEU 67 H LEU 67 7.187 -8.505 -8.537 568 HA LEU 67 HA LEU 67 9.633 -9.289 -9.742 569 HB2 LEU 67 2HB LEU 67 10.580 -7.726 -7.919 570 HB3 LEU 67 1HB LEU 67 9.581 -7.047 -9.186 571 HG LEU 67 HG LEU 67 8.090 -7.858 -6.789 572 HD11 LEU 67 1HD1 LEU 67 10.204 -5.722 -6.656 573 HD12 LEU 67 2HD1 LEU 67 9.979 -7.100 -5.580 574 HD13 LEU 67 3HD1 LEU 67 8.814 -5.775 -5.570 575 HD21 LEU 67 1HD2 LEU 67 6.849 -5.934 -7.252 576 HD22 LEU 67 2HD2 LEU 67 7.320 -6.532 -8.840 577 HD23 LEU 67 3HD2 LEU 67 8.180 -5.173 -8.117 578 H6 HTS 101 H6 HTS 68 8.085 3.291 3.638 579 H3 HTS 101 H3 HTS 68 7.872 -0.907 1.064 580 H4 HTS 101 H4 HTS 68 10.048 0.153 1.510 581 H5 HTS 101 H5 HTS 68 10.154 2.256 2.792 582 HO1 HTS 101 HO1 HTS 68 5.292 2.923 2.614 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -17.338 -2.904 15.907 2 H2 GLY 1 2H GLY 1 -15.950 -2.029 16.320 3 H3 GLY 1 3H GLY 1 -15.807 -3.590 15.684 4 HA2 GLY 1 1HA GLY 1 -16.586 -2.907 13.560 5 HA3 GLY 1 2HA GLY 1 -17.001 -1.323 14.194 6 H SER 2 H SER 2 -14.650 -3.161 12.638 7 HA SER 2 HA SER 2 -12.845 -0.891 12.590 8 HB2 SER 2 2HB SER 2 -12.084 -3.567 13.752 9 HB3 SER 2 1HB SER 2 -10.878 -2.473 13.075 10 HG SER 2 HG SER 2 -12.172 -2.357 15.461 11 H ARG 3 H ARG 3 -13.204 -0.700 10.405 12 HA ARG 3 HA ARG 3 -12.418 -2.993 8.732 13 HB2 ARG 3 2HB ARG 3 -14.777 -1.829 8.591 14 HB3 ARG 3 1HB ARG 3 -13.903 -0.641 7.635 15 HG2 ARG 3 2HG ARG 3 -13.707 -3.553 6.987 16 HG3 ARG 3 1HG ARG 3 -15.084 -2.594 6.441 17 HD2 ARG 3 2HD ARG 3 -13.624 -1.083 5.261 18 HD3 ARG 3 1HD ARG 3 -12.200 -1.896 5.909 19 HE ARG 3 HE ARG 3 -13.920 -3.643 4.420 20 HH11 ARG 3 1HH1 ARG 3 -11.331 -1.315 4.175 21 HH12 ARG 3 2HH1 ARG 3 -10.739 -1.944 2.675 22 HH21 ARG 3 1HH2 ARG 3 -13.142 -4.472 2.447 23 HH22 ARG 3 2HH2 ARG 3 -11.768 -3.737 1.693 24 H VAL 4 H VAL 4 -12.171 0.538 9.018 25 HA VAL 4 HA VAL 4 -10.201 0.753 6.946 26 HB VAL 4 HB VAL 4 -10.871 2.790 9.074 27 HG11 VAL 4 1HG1 VAL 4 -10.219 4.209 6.889 28 HG12 VAL 4 2HG1 VAL 4 -9.204 2.789 6.638 29 HG13 VAL 4 3HG1 VAL 4 -9.051 3.731 8.121 30 HG21 VAL 4 1HG2 VAL 4 -12.739 3.395 7.981 31 HG22 VAL 4 2HG2 VAL 4 -12.674 1.762 7.318 32 HG23 VAL 4 3HG2 VAL 4 -12.022 3.116 6.394 33 H LYS 5 H LYS 5 -10.158 0.491 10.451 34 HA LYS 5 HA LYS 5 -7.508 1.238 10.932 35 HB2 LYS 5 2HB LYS 5 -9.570 -0.331 12.352 36 HB3 LYS 5 1HB LYS 5 -7.911 -0.668 12.823 37 HG2 LYS 5 2HG LYS 5 -8.884 1.023 14.256 38 HG3 LYS 5 1HG LYS 5 -7.564 1.704 13.303 39 HD2 LYS 5 2HD LYS 5 -9.080 3.343 12.924 40 HD3 LYS 5 1HD LYS 5 -9.619 2.235 11.662 41 HE2 LYS 5 2HE LYS 5 -11.630 2.260 12.612 42 HE3 LYS 5 1HE LYS 5 -10.928 1.386 13.973 43 HZ1 LYS 5 1HZ LYS 5 -11.497 4.258 13.709 44 HZ2 LYS 5 2HZ LYS 5 -10.258 3.752 14.743 45 HZ3 LYS 5 3HZ LYS 5 -11.841 3.210 14.992 46 H ALA 6 H ALA 6 -8.890 -1.755 9.775 47 HA ALA 6 HA ALA 6 -6.529 -3.330 10.065 48 HB1 ALA 6 1HB ALA 6 -9.182 -3.677 8.780 49 HB2 ALA 6 2HB ALA 6 -8.346 -4.700 9.949 50 HB3 ALA 6 3HB ALA 6 -7.867 -4.726 8.252 51 H LEU 7 H LEU 7 -7.707 -1.116 7.682 52 HA LEU 7 HA LEU 7 -6.169 -2.041 5.481 53 HB2 LEU 7 2HB LEU 7 -8.189 -0.233 5.824 54 HB3 LEU 7 1HB LEU 7 -6.816 0.826 5.562 55 HG LEU 7 HG LEU 7 -7.843 -1.305 3.693 56 HD11 LEU 7 1HD1 LEU 7 -7.489 1.506 2.872 57 HD12 LEU 7 2HD1 LEU 7 -8.797 1.178 4.009 58 HD13 LEU 7 3HD1 LEU 7 -8.752 0.348 2.453 59 HD21 LEU 7 1HD2 LEU 7 -5.265 0.177 3.781 60 HD22 LEU 7 2HD2 LEU 7 -6.018 -0.107 2.211 61 HD23 LEU 7 3HD2 LEU 7 -5.606 -1.471 3.251 62 H GLU 8 H GLU 8 -5.592 0.343 8.023 63 HA GLU 8 HA GLU 8 -3.169 1.329 6.877 64 HB2 GLU 8 2HB GLU 8 -4.414 1.604 9.608 65 HB3 GLU 8 1HB GLU 8 -2.866 2.332 9.199 66 HG2 GLU 8 2HG GLU 8 -3.879 3.692 7.511 67 HG3 GLU 8 1HG GLU 8 -5.423 2.863 7.706 68 H GLU 9 H GLU 9 -3.970 -1.191 9.184 69 HA GLU 9 HA GLU 9 -1.257 -1.604 10.021 70 HB2 GLU 9 2HB GLU 9 -2.078 -3.358 11.363 71 HB3 GLU 9 1HB GLU 9 -3.352 -2.148 11.364 72 HG2 GLU 9 2HG GLU 9 -4.751 -3.767 10.805 73 HG3 GLU 9 1HG GLU 9 -3.977 -3.788 9.222 74 H LYS 10 H LYS 10 -3.152 -2.605 7.353 75 HA LYS 10 HA LYS 10 -1.748 -5.032 6.785 76 HB2 LYS 10 2HB LYS 10 -3.976 -3.540 5.683 77 HB3 LYS 10 1HB LYS 10 -2.922 -4.137 4.411 78 HG2 LYS 10 2HG LYS 10 -3.084 -6.404 5.537 79 HG3 LYS 10 1HG LYS 10 -4.397 -5.714 6.494 80 HD2 LYS 10 2HD LYS 10 -4.652 -5.214 3.625 81 HD3 LYS 10 1HD LYS 10 -4.670 -6.927 4.047 82 HE2 LYS 10 2HE LYS 10 -6.904 -6.386 4.217 83 HE3 LYS 10 1HE LYS 10 -6.360 -6.173 5.881 84 HZ1 LYS 10 1HZ LYS 10 -6.654 -3.956 5.787 85 HZ2 LYS 10 2HZ LYS 10 -7.744 -4.341 4.552 86 HZ3 LYS 10 3HZ LYS 10 -6.177 -3.832 4.169 87 H VAL 11 H VAL 11 -1.595 -1.704 5.587 88 HA VAL 11 HA VAL 11 0.443 -2.257 3.663 89 HB VAL 11 HB VAL 11 -0.320 0.428 4.816 90 HG11 VAL 11 1HG1 VAL 11 1.774 -0.242 3.144 91 HG12 VAL 11 2HG1 VAL 11 1.078 1.365 3.350 92 HG13 VAL 11 3HG1 VAL 11 0.524 0.324 2.037 93 HG21 VAL 11 1HG2 VAL 11 -1.366 -0.342 2.180 94 HG22 VAL 11 2HG2 VAL 11 -2.145 0.525 3.504 95 HG23 VAL 11 3HG2 VAL 11 -2.045 -1.234 3.541 96 H LYS 12 H LYS 12 0.407 -1.333 6.999 97 HA LYS 12 HA LYS 12 3.021 -0.327 7.234 98 HB2 LYS 12 2HB LYS 12 1.201 -0.156 8.965 99 HB3 LYS 12 1HB LYS 12 1.492 -1.846 9.353 100 HG2 LYS 12 2HG LYS 12 3.905 -1.161 9.790 101 HG3 LYS 12 1HG LYS 12 3.313 0.501 9.758 102 HD2 LYS 12 2HD LYS 12 2.285 0.307 11.757 103 HD3 LYS 12 1HD LYS 12 1.763 -1.349 11.440 104 HE2 LYS 12 2HE LYS 12 3.496 -2.204 12.556 105 HE3 LYS 12 1HE LYS 12 4.643 -1.151 11.728 106 HZ1 LYS 12 1HZ LYS 12 4.614 0.339 13.397 107 HZ2 LYS 12 2HZ LYS 12 4.115 -0.985 14.323 108 HZ3 LYS 12 3HZ LYS 12 2.972 0.115 13.740 109 H ALA 13 H ALA 13 1.717 -3.583 7.273 110 HA ALA 13 HA ALA 13 4.258 -4.794 7.958 111 HB1 ALA 13 1HB ALA 13 3.123 -6.898 7.760 112 HB2 ALA 13 2HB ALA 13 1.770 -6.147 6.915 113 HB3 ALA 13 3HB ALA 13 2.058 -5.784 8.617 114 H LEU 14 H LEU 14 2.507 -3.829 5.183 115 HA LEU 14 HA LEU 14 3.688 -5.454 3.210 116 HB2 LEU 14 2HB LEU 14 1.603 -3.880 3.201 117 HB3 LEU 14 1HB LEU 14 2.749 -2.652 2.708 118 HG LEU 14 HG LEU 14 2.773 -5.184 1.160 119 HD11 LEU 14 1HD1 LEU 14 0.386 -3.490 1.471 120 HD12 LEU 14 2HD1 LEU 14 0.531 -5.171 0.961 121 HD13 LEU 14 3HD1 LEU 14 0.845 -3.872 -0.189 122 HD21 LEU 14 1HD2 LEU 14 3.328 -3.780 -0.634 123 HD22 LEU 14 2HD2 LEU 14 4.180 -3.098 0.752 124 HD23 LEU 14 3HD2 LEU 14 2.691 -2.349 0.174 125 H GLU 15 H GLU 15 4.754 -2.647 4.920 126 HA GLU 15 HA GLU 15 6.743 -1.801 3.058 127 HB2 GLU 15 2HB GLU 15 5.887 -0.163 4.548 128 HB3 GLU 15 1HB GLU 15 6.183 -1.174 5.954 129 HG2 GLU 15 2HG GLU 15 8.510 -0.809 5.845 130 HG3 GLU 15 1HG GLU 15 8.400 -0.111 4.230 131 H GLU 16 H GLU 16 6.734 -3.816 5.961 132 HA GLU 16 HA GLU 16 9.456 -4.120 6.357 133 HB2 GLU 16 2HB GLU 16 7.310 -6.220 6.716 134 HB3 GLU 16 1HB GLU 16 8.912 -6.258 7.442 135 HG2 GLU 16 2HG GLU 16 7.028 -3.983 7.935 136 HG3 GLU 16 1HG GLU 16 6.946 -5.473 8.875 137 H LYS 17 H LYS 17 7.420 -5.504 3.896 138 HA LYS 17 HA LYS 17 9.278 -7.530 3.087 139 HB2 LYS 17 2HB LYS 17 6.763 -7.557 2.722 140 HB3 LYS 17 1HB LYS 17 7.029 -6.393 1.431 141 HG2 LYS 17 2HG LYS 17 7.198 -8.184 0.115 142 HG3 LYS 17 1HG LYS 17 8.818 -8.350 0.794 143 HD2 LYS 17 2HD LYS 17 7.348 -9.606 2.688 144 HD3 LYS 17 1HD LYS 17 6.397 -9.965 1.245 145 HE2 LYS 17 2HE LYS 17 8.538 -10.727 0.160 146 HE3 LYS 17 1HE LYS 17 9.299 -10.590 1.745 147 HZ1 LYS 17 1HZ LYS 17 8.674 -12.744 1.849 148 HZ2 LYS 17 2HZ LYS 17 7.387 -12.558 0.767 149 HZ3 LYS 17 3HZ LYS 17 7.212 -12.075 2.378 150 H VAL 18 H VAL 18 8.399 -4.311 1.887 151 HA VAL 18 HA VAL 18 10.202 -4.405 -0.328 152 HB VAL 18 HB VAL 18 9.215 -1.836 0.840 153 HG11 VAL 18 1HG1 VAL 18 9.254 -2.570 -2.051 154 HG12 VAL 18 2HG1 VAL 18 10.761 -2.159 -1.233 155 HG13 VAL 18 3HG1 VAL 18 9.441 -0.990 -1.289 156 HG21 VAL 18 1HG2 VAL 18 7.166 -2.220 -0.668 157 HG22 VAL 18 2HG2 VAL 18 7.201 -3.021 0.903 158 HG23 VAL 18 3HG2 VAL 18 7.584 -3.930 -0.561 159 H LYS 19 H LYS 19 10.267 -2.631 2.771 160 HA LYS 19 HA LYS 19 12.667 -1.340 2.511 161 HB2 LYS 19 2HB LYS 19 11.228 -2.478 4.872 162 HB3 LYS 19 1HB LYS 19 12.831 -1.787 5.090 163 HG2 LYS 19 2HG LYS 19 11.365 0.058 3.555 164 HG3 LYS 19 1HG LYS 19 10.311 -0.470 4.867 165 HD2 LYS 19 2HD LYS 19 11.680 0.386 6.497 166 HD3 LYS 19 1HD LYS 19 13.133 0.227 5.509 167 HE2 LYS 19 2HE LYS 19 10.947 2.203 4.900 168 HE3 LYS 19 1HE LYS 19 12.320 2.586 5.937 169 HZ1 LYS 19 1HZ LYS 19 12.950 1.430 3.344 170 HZ2 LYS 19 2HZ LYS 19 13.725 2.669 4.195 171 HZ3 LYS 19 3HZ LYS 19 12.316 2.998 3.321 172 H ALA 20 H ALA 20 12.123 -4.733 3.174 173 HA ALA 20 HA ALA 20 14.781 -5.340 3.997 174 HB1 ALA 20 1HB ALA 20 12.456 -6.677 4.144 175 HB2 ALA 20 2HB ALA 20 14.034 -7.449 4.294 176 HB3 ALA 20 3HB ALA 20 13.180 -7.482 2.751 177 H LEU 21 H LEU 21 13.469 -4.579 0.981 178 HA LEU 21 HA LEU 21 14.937 -6.247 -0.735 179 HB2 LEU 21 2HB LEU 21 14.122 -4.966 -2.449 180 HB3 LEU 21 1HB LEU 21 12.954 -4.624 -1.194 181 HG LEU 21 HG LEU 21 13.306 -2.526 -2.050 182 HD11 LEU 21 1HD1 LEU 21 15.604 -1.937 -0.422 183 HD12 LEU 21 2HD1 LEU 21 14.467 -2.965 0.444 184 HD13 LEU 21 3HD1 LEU 21 13.927 -1.432 -0.230 185 HD21 LEU 21 1HD2 LEU 21 16.230 -2.496 -2.241 186 HD22 LEU 21 2HD2 LEU 21 15.008 -1.917 -3.372 187 HD23 LEU 21 3HD2 LEU 21 15.427 -3.629 -3.328 188 H GLY 22 H GLY 22 16.546 -5.185 -2.377 189 HA2 GLY 22 2HA GLY 22 18.511 -3.564 -0.893 190 HA3 GLY 22 1HA GLY 22 19.012 -5.042 -1.701 191 H GLY 23 H GLY 23 18.067 -5.055 -4.110 192 HA2 GLY 23 2HA GLY 23 18.281 -2.413 -5.330 193 HA3 GLY 23 1HA GLY 23 19.541 -3.567 -5.739 194 H GLY 24 H GLY 24 17.118 -2.226 -7.157 195 HA2 GLY 24 2HA GLY 24 16.697 -4.213 -9.072 196 HA3 GLY 24 1HA GLY 24 15.362 -4.298 -7.932 197 H GLY 25 H GLY 25 14.175 -3.789 -9.985 198 HA2 GLY 25 2HA GLY 25 14.186 -0.880 -10.500 199 HA3 GLY 25 1HA GLY 25 13.704 -2.089 -11.679 200 H ARG 26 H ARG 26 11.837 -3.533 -10.860 201 HA ARG 26 HA ARG 26 9.538 -2.053 -10.661 202 HB2 ARG 26 2HB ARG 26 8.369 -4.067 -10.155 203 HB3 ARG 26 1HB ARG 26 9.708 -4.504 -11.206 204 HG2 ARG 26 2HG ARG 26 9.723 -4.781 -8.208 205 HG3 ARG 26 1HG ARG 26 9.365 -6.089 -9.339 206 HD2 ARG 26 2HD ARG 26 11.664 -5.370 -10.387 207 HD3 ARG 26 1HD ARG 26 11.937 -4.694 -8.782 208 HE ARG 26 HE ARG 26 11.091 -7.474 -8.914 209 HH11 ARG 26 1HH1 ARG 26 13.733 -5.215 -8.569 210 HH12 ARG 26 2HH1 ARG 26 14.794 -6.379 -7.853 211 HH21 ARG 26 1HH2 ARG 26 12.490 -9.002 -7.976 212 HH22 ARG 26 2HH2 ARG 26 14.091 -8.528 -7.518 213 H ILE 27 H ILE 27 11.700 -2.984 -8.110 214 HA ILE 27 HA ILE 27 9.964 -2.643 -5.926 215 HB ILE 27 HB ILE 27 12.953 -2.220 -5.957 216 HG12 ILE 27 2HG1 ILE 27 11.446 -4.750 -5.275 217 HG13 ILE 27 1HG1 ILE 27 12.141 -4.442 -6.861 218 HG21 ILE 27 1HG2 ILE 27 12.599 -1.593 -3.845 219 HG22 ILE 27 2HG2 ILE 27 12.232 -3.287 -3.524 220 HG23 ILE 27 3HG2 ILE 27 10.928 -2.153 -3.868 221 HD11 ILE 27 1HD1 ILE 27 14.068 -4.027 -4.750 222 HD12 ILE 27 2HD1 ILE 27 14.161 -5.049 -6.183 223 HD13 ILE 27 3HD1 ILE 27 13.385 -5.652 -4.719 224 H GLU 28 H GLU 28 11.789 -0.374 -7.853 225 HA GLU 28 HA GLU 28 11.783 1.814 -6.089 226 HB2 GLU 28 2HB GLU 28 11.665 1.893 -9.110 227 HB3 GLU 28 1HB GLU 28 12.209 3.188 -8.051 228 HG2 GLU 28 2HG GLU 28 14.118 1.906 -7.371 229 HG3 GLU 28 1HG GLU 28 13.540 0.498 -8.261 230 H GLU 29 H GLU 29 9.575 1.116 -8.811 231 HA GLU 29 HA GLU 29 7.806 3.228 -8.340 232 HB2 GLU 29 2HB GLU 29 7.797 1.968 -10.425 233 HB3 GLU 29 1HB GLU 29 7.275 0.521 -9.576 234 HG2 GLU 29 2HG GLU 29 5.424 1.546 -10.749 235 HG3 GLU 29 1HG GLU 29 5.166 1.608 -9.006 236 H LEU 30 H LEU 30 8.150 0.154 -6.780 237 HA LEU 30 HA LEU 30 5.568 0.081 -5.566 238 HB2 LEU 30 2HB LEU 30 8.136 -1.410 -5.212 239 HB3 LEU 30 1HB LEU 30 6.883 -1.561 -3.995 240 HG LEU 30 HG LEU 30 6.113 -2.012 -6.833 241 HD11 LEU 30 1HD1 LEU 30 6.788 -4.395 -6.606 242 HD12 LEU 30 2HD1 LEU 30 7.719 -3.947 -5.177 243 HD13 LEU 30 3HD1 LEU 30 8.142 -3.275 -6.751 244 HD21 LEU 30 1HD2 LEU 30 5.099 -2.550 -4.169 245 HD22 LEU 30 2HD2 LEU 30 5.087 -3.985 -5.194 246 HD23 LEU 30 3HD2 LEU 30 4.256 -2.522 -5.718 247 H LYS 31 H LYS 31 8.555 1.648 -4.825 248 HA LYS 31 HA LYS 31 8.051 1.987 -2.021 249 HB2 LYS 31 2HB LYS 31 10.328 1.921 -2.904 250 HB3 LYS 31 1HB LYS 31 10.013 3.358 -3.867 251 HG2 LYS 31 2HG LYS 31 10.245 4.754 -2.115 252 HG3 LYS 31 1HG LYS 31 9.533 3.612 -0.973 253 HD2 LYS 31 2HD LYS 31 11.533 2.560 -0.569 254 HD3 LYS 31 1HD LYS 31 12.187 2.965 -2.158 255 HE2 LYS 31 2HE LYS 31 13.371 4.525 -1.077 256 HE3 LYS 31 1HE LYS 31 11.859 5.430 -1.010 257 HZ1 LYS 31 1HZ LYS 31 13.291 4.815 1.137 258 HZ2 LYS 31 2HZ LYS 31 12.266 3.471 1.096 259 HZ3 LYS 31 3HZ LYS 31 11.612 5.028 1.177 260 H LYS 32 H LYS 32 8.226 4.342 -4.701 261 HA LYS 32 HA LYS 32 7.353 6.568 -3.350 262 HB2 LYS 32 2HB LYS 32 7.560 5.744 -6.131 263 HB3 LYS 32 1HB LYS 32 6.227 6.861 -5.873 264 HG2 LYS 32 2HG LYS 32 8.728 7.643 -4.565 265 HG3 LYS 32 1HG LYS 32 8.803 7.585 -6.326 266 HD2 LYS 32 2HD LYS 32 8.133 9.781 -5.807 267 HD3 LYS 32 1HD LYS 32 6.656 8.953 -6.307 268 HE2 LYS 32 2HE LYS 32 5.874 9.929 -4.411 269 HE3 LYS 32 1HE LYS 32 6.523 8.453 -3.699 270 HZ1 LYS 32 1HZ LYS 32 8.671 10.013 -3.627 271 HZ2 LYS 32 2HZ LYS 32 7.554 9.919 -2.360 272 HZ3 LYS 32 3HZ LYS 32 7.465 11.191 -3.472 273 H LYS 33 H LYS 33 5.396 4.003 -4.756 274 HA LYS 33 HA LYS 33 2.916 5.374 -4.233 275 HB2 LYS 33 2HB LYS 33 3.692 3.350 -5.947 276 HB3 LYS 33 1HB LYS 33 2.710 2.513 -4.754 277 HG2 LYS 33 2HG LYS 33 1.742 5.014 -6.083 278 HG3 LYS 33 1HG LYS 33 1.557 3.432 -6.842 279 HD2 LYS 33 2HD LYS 33 0.614 4.016 -4.044 280 HD3 LYS 33 1HD LYS 33 -0.405 4.264 -5.463 281 HE2 LYS 33 2HE LYS 33 0.954 1.635 -5.023 282 HE3 LYS 33 1HE LYS 33 -0.535 2.019 -4.160 283 HZ1 LYS 33 1HZ LYS 33 -0.418 0.924 -6.614 284 HZ2 LYS 33 2HZ LYS 33 -0.634 2.558 -6.992 285 HZ3 LYS 33 3HZ LYS 33 -1.752 1.764 -6.001 286 H CYS 34 H CYS 34 4.937 3.123 -2.546 287 HA CYS 34 HA CYS 34 3.022 1.933 -0.863 288 HB2 CYS 34 2HB CYS 34 5.810 1.831 -1.222 289 HB3 CYS 34 1HB CYS 34 5.568 2.256 0.462 290 H GLU 35 H GLU 35 5.293 4.583 -0.072 291 HA GLU 35 HA GLU 35 4.098 5.112 2.432 292 HB2 GLU 35 2HB GLU 35 5.476 7.213 2.361 293 HB3 GLU 35 1HB GLU 35 6.373 5.714 2.163 294 HG2 GLU 35 2HG GLU 35 7.180 6.393 0.225 295 HG3 GLU 35 1HG GLU 35 5.555 6.674 -0.392 296 H GLU 36 H GLU 36 3.789 6.709 -0.724 297 HA GLU 36 HA GLU 36 2.225 8.869 0.098 298 HB2 GLU 36 2HB GLU 36 3.304 8.272 -2.225 299 HB3 GLU 36 1HB GLU 36 1.729 7.560 -2.548 300 HG2 GLU 36 2HG GLU 36 0.913 9.926 -1.658 301 HG3 GLU 36 1HG GLU 36 2.507 10.398 -2.246 302 H LEU 37 H LEU 37 1.421 5.546 -0.419 303 HA LEU 37 HA LEU 37 -1.385 5.826 -0.665 304 HB2 LEU 37 2HB LEU 37 -0.455 3.828 -1.470 305 HB3 LEU 37 1HB LEU 37 0.459 3.556 -0.000 306 HG LEU 37 HG LEU 37 -1.473 2.839 1.183 307 HD11 LEU 37 1HD1 LEU 37 -3.682 3.072 0.506 308 HD12 LEU 37 2HD1 LEU 37 -3.242 3.326 -1.182 309 HD13 LEU 37 3HD1 LEU 37 -2.956 4.598 0.003 310 HD21 LEU 37 1HD2 LEU 37 -1.758 0.829 0.169 311 HD22 LEU 37 2HD2 LEU 37 -0.403 1.422 -0.790 312 HD23 LEU 37 3HD2 LEU 37 -2.047 1.545 -1.417 313 H LYS 38 H LYS 38 0.702 5.008 2.104 314 HA LYS 38 HA LYS 38 -1.264 4.597 4.012 315 HB2 LYS 38 2HB LYS 38 1.536 4.830 3.977 316 HB3 LYS 38 1HB LYS 38 0.979 5.990 5.175 317 HG2 LYS 38 2HG LYS 38 0.527 4.386 6.639 318 HG3 LYS 38 1HG LYS 38 -0.394 3.465 5.450 319 HD2 LYS 38 2HD LYS 38 1.261 1.991 5.275 320 HD3 LYS 38 1HD LYS 38 2.383 3.271 4.813 321 HE2 LYS 38 2HE LYS 38 3.275 2.194 6.743 322 HE3 LYS 38 1HE LYS 38 2.677 3.774 7.246 323 HZ1 LYS 38 1HZ LYS 38 2.114 1.582 8.570 324 HZ2 LYS 38 2HZ LYS 38 0.842 1.511 7.456 325 HZ3 LYS 38 3HZ LYS 38 1.011 2.861 8.459 326 H LYS 39 H LYS 39 0.520 7.642 3.471 327 HA LYS 39 HA LYS 39 -0.866 9.240 5.244 328 HB2 LYS 39 2HB LYS 39 -0.044 11.136 3.990 329 HB3 LYS 39 1HB LYS 39 1.202 9.897 4.051 330 HG2 LYS 39 2HG LYS 39 0.536 9.181 1.777 331 HG3 LYS 39 1HG LYS 39 -0.596 10.534 1.724 332 HD2 LYS 39 2HD LYS 39 2.246 11.090 2.415 333 HD3 LYS 39 1HD LYS 39 1.847 10.734 0.734 334 HE2 LYS 39 2HE LYS 39 -0.092 12.559 1.660 335 HE3 LYS 39 1HE LYS 39 1.474 13.160 2.207 336 HZ1 LYS 39 1HZ LYS 39 0.417 12.923 -0.487 337 HZ2 LYS 39 2HZ LYS 39 2.046 12.507 -0.305 338 HZ3 LYS 39 3HZ LYS 39 1.511 14.044 0.155 339 H LYS 40 H LYS 40 -1.821 8.130 2.081 340 HA LYS 40 HA LYS 40 -3.904 10.020 1.667 341 HB2 LYS 40 2HB LYS 40 -2.697 8.321 0.025 342 HB3 LYS 40 1HB LYS 40 -4.052 7.291 0.469 343 HG2 LYS 40 2HG LYS 40 -5.601 9.067 -0.255 344 HG3 LYS 40 1HG LYS 40 -4.214 10.026 -0.776 345 HD2 LYS 40 2HD LYS 40 -3.597 7.927 -2.165 346 HD3 LYS 40 1HD LYS 40 -5.284 7.471 -1.914 347 HE2 LYS 40 2HE LYS 40 -4.302 10.036 -3.162 348 HE3 LYS 40 1HE LYS 40 -4.993 8.662 -4.025 349 HZ1 LYS 40 1HZ LYS 40 -7.090 9.100 -3.222 350 HZ2 LYS 40 2HZ LYS 40 -6.482 10.666 -3.422 351 HZ3 LYS 40 3HZ LYS 40 -6.530 9.969 -1.882 352 H ILE 41 H ILE 41 -3.667 7.063 3.472 353 HA ILE 41 HA ILE 41 -6.499 6.614 3.657 354 HB ILE 41 HB ILE 41 -4.442 5.523 5.566 355 HG12 ILE 41 2HG1 ILE 41 -5.139 4.531 2.794 356 HG13 ILE 41 1HG1 ILE 41 -3.566 5.092 3.350 357 HG21 ILE 41 1HG2 ILE 41 -7.114 5.287 5.613 358 HG22 ILE 41 2HG2 ILE 41 -6.021 4.030 6.191 359 HG23 ILE 41 3HG2 ILE 41 -6.713 3.920 4.574 360 HD11 ILE 41 1HD1 ILE 41 -3.405 3.185 4.848 361 HD12 ILE 41 2HD1 ILE 41 -3.652 2.667 3.181 362 HD13 ILE 41 3HD1 ILE 41 -4.994 2.630 4.325 363 H GLU 42 H GLU 42 -4.071 8.323 5.507 364 HA GLU 42 HA GLU 42 -5.633 8.713 7.848 365 HB2 GLU 42 2HB GLU 42 -3.197 10.076 6.723 366 HB3 GLU 42 1HB GLU 42 -3.974 10.657 8.189 367 HG2 GLU 42 2HG GLU 42 -3.354 7.777 8.103 368 HG3 GLU 42 1HG GLU 42 -1.974 8.874 8.165 369 H GLU 43 H GLU 43 -5.314 10.400 4.804 370 HA GLU 43 HA GLU 43 -6.735 12.742 5.639 371 HB2 GLU 43 2HB GLU 43 -6.571 13.464 3.387 372 HB3 GLU 43 1HB GLU 43 -5.068 12.624 3.734 373 HG2 GLU 43 2HG GLU 43 -5.392 11.238 2.048 374 HG3 GLU 43 1HG GLU 43 -6.978 10.781 2.661 375 H LEU 44 H LEU 44 -7.555 9.661 4.274 376 HA LEU 44 HA LEU 44 -10.073 10.147 3.220 377 HB2 LEU 44 2HB LEU 44 -8.586 7.822 4.208 378 HB3 LEU 44 1HB LEU 44 -10.325 7.644 4.320 379 HG LEU 44 HG LEU 44 -8.876 8.374 1.778 380 HD11 LEU 44 1HD1 LEU 44 -9.765 5.898 1.315 381 HD12 LEU 44 2HD1 LEU 44 -9.441 5.765 3.044 382 HD13 LEU 44 3HD1 LEU 44 -8.150 6.238 1.939 383 HD21 LEU 44 1HD2 LEU 44 -11.657 7.286 2.107 384 HD22 LEU 44 2HD2 LEU 44 -10.928 8.023 0.680 385 HD23 LEU 44 3HD2 LEU 44 -11.312 9.016 2.088 386 H GLY 45 H GLY 45 -12.194 9.554 4.116 387 HA2 GLY 45 2HA GLY 45 -12.410 10.516 6.886 388 HA3 GLY 45 1HA GLY 45 -13.689 10.571 5.685 389 H GLY 46 H GLY 46 -15.099 8.896 5.519 390 HA2 GLY 46 2HA GLY 46 -14.546 6.528 7.196 391 HA3 GLY 46 1HA GLY 46 -16.109 7.331 7.223 392 H GLY 47 H GLY 47 -16.583 7.791 4.563 393 HA2 GLY 47 2HA GLY 47 -16.288 5.206 3.213 394 HA3 GLY 47 1HA GLY 47 -17.918 5.779 3.539 395 H GLY 48 H GLY 48 -17.499 5.330 1.004 396 HA2 GLY 48 2HA GLY 48 -18.016 6.542 -0.939 397 HA3 GLY 48 1HA GLY 48 -17.449 8.007 -0.150 398 H GLU 49 H GLU 49 -15.135 8.320 0.049 399 HA GLU 49 HA GLU 49 -13.774 7.619 -2.361 400 HB2 GLU 49 2HB GLU 49 -13.508 9.792 -1.141 401 HB3 GLU 49 1HB GLU 49 -12.622 8.926 0.107 402 HG2 GLU 49 2HG GLU 49 -11.060 8.174 -1.760 403 HG3 GLU 49 1HG GLU 49 -11.835 9.414 -2.744 404 H VAL 50 H VAL 50 -14.054 6.132 0.698 405 HA VAL 50 HA VAL 50 -11.578 4.926 1.056 406 HB VAL 50 HB VAL 50 -14.235 3.626 1.655 407 HG11 VAL 50 1HG1 VAL 50 -12.404 2.105 1.936 408 HG12 VAL 50 2HG1 VAL 50 -12.949 2.618 3.533 409 HG13 VAL 50 3HG1 VAL 50 -11.481 3.307 2.839 410 HG21 VAL 50 1HG2 VAL 50 -12.731 5.793 3.081 411 HG22 VAL 50 2HG2 VAL 50 -13.813 4.705 3.950 412 HG23 VAL 50 3HG2 VAL 50 -14.441 5.724 2.655 413 H LYS 51 H LYS 51 -13.982 4.304 -1.340 414 HA LYS 51 HA LYS 51 -13.175 1.623 -1.937 415 HB2 LYS 51 2HB LYS 51 -15.436 2.505 -2.445 416 HB3 LYS 51 1HB LYS 51 -14.726 3.576 -3.645 417 HG2 LYS 51 2HG LYS 51 -13.760 1.173 -4.451 418 HG3 LYS 51 1HG LYS 51 -15.329 0.712 -3.789 419 HD2 LYS 51 2HD LYS 51 -15.369 3.110 -5.482 420 HD3 LYS 51 1HD LYS 51 -14.916 1.626 -6.321 421 HE2 LYS 51 2HE LYS 51 -16.969 0.590 -5.188 422 HE3 LYS 51 1HE LYS 51 -17.453 2.249 -4.844 423 HZ1 LYS 51 1HZ LYS 51 -18.122 0.961 -7.066 424 HZ2 LYS 51 2HZ LYS 51 -16.689 1.692 -7.590 425 HZ3 LYS 51 3HZ LYS 51 -17.952 2.643 -6.989 426 H LYS 52 H LYS 52 -12.115 4.787 -2.888 427 HA LYS 52 HA LYS 52 -10.740 3.923 -5.257 428 HB2 LYS 52 2HB LYS 52 -11.493 6.193 -5.193 429 HB3 LYS 52 1HB LYS 52 -10.682 6.484 -3.662 430 HG2 LYS 52 2HG LYS 52 -8.580 6.579 -4.647 431 HG3 LYS 52 1HG LYS 52 -9.120 5.742 -6.104 432 HD2 LYS 52 2HD LYS 52 -9.703 7.658 -7.088 433 HD3 LYS 52 1HD LYS 52 -10.604 8.191 -5.667 434 HE2 LYS 52 2HE LYS 52 -8.486 8.919 -4.635 435 HE3 LYS 52 1HE LYS 52 -7.630 8.442 -6.101 436 HZ1 LYS 52 1HZ LYS 52 -7.977 10.708 -6.358 437 HZ2 LYS 52 2HZ LYS 52 -9.545 10.657 -5.723 438 HZ3 LYS 52 3HZ LYS 52 -9.235 10.032 -7.264 439 H VAL 53 H VAL 53 -9.605 5.141 -2.099 440 HA VAL 53 HA VAL 53 -6.896 4.615 -2.475 441 HB VAL 53 HB VAL 53 -8.327 4.454 0.177 442 HG11 VAL 53 1HG1 VAL 53 -5.664 5.685 -0.065 443 HG12 VAL 53 2HG1 VAL 53 -5.730 3.946 -0.358 444 HG13 VAL 53 3HG1 VAL 53 -6.311 4.605 1.171 445 HG21 VAL 53 1HG2 VAL 53 -7.707 6.774 -1.574 446 HG22 VAL 53 2HG2 VAL 53 -7.499 6.967 0.166 447 HG23 VAL 53 3HG2 VAL 53 -9.071 6.508 -0.488 448 H GLU 54 H GLU 54 -9.503 2.479 -1.568 449 HA GLU 54 HA GLU 54 -7.988 0.372 -0.487 450 HB2 GLU 54 2HB GLU 54 -10.529 0.692 -0.451 451 HB3 GLU 54 1HB GLU 54 -10.526 0.000 -2.067 452 HG2 GLU 54 2HG GLU 54 -9.040 -1.589 -0.131 453 HG3 GLU 54 1HG GLU 54 -10.743 -1.392 0.279 454 H GLU 55 H GLU 55 -8.885 1.186 -3.790 455 HA GLU 55 HA GLU 55 -7.864 -1.202 -4.961 456 HB2 GLU 55 2HB GLU 55 -9.569 0.184 -6.065 457 HB3 GLU 55 1HB GLU 55 -8.408 1.495 -6.215 458 HG2 GLU 55 2HG GLU 55 -7.019 0.102 -7.661 459 HG3 GLU 55 1HG GLU 55 -8.184 -1.212 -7.511 460 H GLU 56 H GLU 56 -6.491 1.847 -4.032 461 HA GLU 56 HA GLU 56 -4.152 1.729 -5.632 462 HB2 GLU 56 2HB GLU 56 -4.976 3.277 -3.201 463 HB3 GLU 56 1HB GLU 56 -3.311 3.344 -3.759 464 HG2 GLU 56 2HG GLU 56 -4.636 3.816 -6.068 465 HG3 GLU 56 1HG GLU 56 -5.737 4.535 -4.895 466 H VAL 57 H VAL 57 -5.035 0.358 -2.552 467 HA VAL 57 HA VAL 57 -2.319 -0.340 -1.843 468 HB VAL 57 HB VAL 57 -4.846 -1.373 -0.561 469 HG11 VAL 57 1HG1 VAL 57 -3.319 -1.472 1.442 470 HG12 VAL 57 2HG1 VAL 57 -1.984 -1.152 0.337 471 HG13 VAL 57 3HG1 VAL 57 -2.955 -2.611 0.146 472 HG21 VAL 57 1HG2 VAL 57 -4.012 1.313 -0.705 473 HG22 VAL 57 2HG2 VAL 57 -3.629 0.754 0.923 474 HG23 VAL 57 3HG2 VAL 57 -5.278 0.624 0.311 475 H LYS 58 H LYS 58 -4.991 -1.774 -3.499 476 HA LYS 58 HA LYS 58 -4.131 -4.488 -3.255 477 HB2 LYS 58 2HB LYS 58 -6.312 -3.022 -4.526 478 HB3 LYS 58 1HB LYS 58 -5.745 -4.376 -5.496 479 HG2 LYS 58 2HG LYS 58 -6.066 -5.865 -3.559 480 HG3 LYS 58 1HG LYS 58 -6.710 -4.498 -2.647 481 HD2 LYS 58 2HD LYS 58 -8.694 -5.246 -3.416 482 HD3 LYS 58 1HD LYS 58 -8.235 -4.370 -4.877 483 HE2 LYS 58 2HE LYS 58 -6.997 -6.811 -5.191 484 HE3 LYS 58 1HE LYS 58 -8.527 -7.234 -4.423 485 HZ1 LYS 58 1HZ LYS 58 -8.618 -5.346 -6.649 486 HZ2 LYS 58 2HZ LYS 58 -9.718 -6.551 -6.209 487 HZ3 LYS 58 3HZ LYS 58 -8.294 -6.963 -7.023 488 H LYS 59 H LYS 59 -3.451 -1.866 -5.445 489 HA LYS 59 HA LYS 59 -2.396 -3.493 -7.545 490 HB2 LYS 59 2HB LYS 59 -3.315 -1.162 -7.817 491 HB3 LYS 59 1HB LYS 59 -1.847 -0.567 -7.055 492 HG2 LYS 59 2HG LYS 59 -1.144 -2.349 -9.172 493 HG3 LYS 59 1HG LYS 59 -2.287 -1.146 -9.773 494 HD2 LYS 59 2HD LYS 59 0.056 -0.312 -8.103 495 HD3 LYS 59 1HD LYS 59 0.256 -0.626 -9.828 496 HE2 LYS 59 2HE LYS 59 -1.764 0.959 -10.112 497 HE3 LYS 59 1HE LYS 59 -1.393 1.473 -8.468 498 HZ1 LYS 59 1HZ LYS 59 0.651 1.454 -10.608 499 HZ2 LYS 59 2HZ LYS 59 0.700 2.257 -9.121 500 HZ3 LYS 59 3HZ LYS 59 -0.351 2.790 -10.334 501 H LEU 60 H LEU 60 -0.959 -1.678 -4.852 502 HA LEU 60 HA LEU 60 1.722 -2.216 -5.671 503 HB2 LEU 60 2HB LEU 60 0.932 -0.309 -4.180 504 HB3 LEU 60 1HB LEU 60 0.865 -1.485 -2.881 505 HG LEU 60 HG LEU 60 3.409 -1.497 -4.314 506 HD11 LEU 60 1HD1 LEU 60 3.702 0.693 -4.467 507 HD12 LEU 60 2HD1 LEU 60 3.835 0.681 -2.708 508 HD13 LEU 60 3HD1 LEU 60 2.287 1.042 -3.475 509 HD21 LEU 60 1HD2 LEU 60 2.950 -2.704 -2.218 510 HD22 LEU 60 2HD2 LEU 60 2.733 -1.155 -1.401 511 HD23 LEU 60 3HD2 LEU 60 4.304 -1.584 -2.079 512 H GLU 61 H GLU 61 -0.608 -3.907 -3.723 513 HA GLU 61 HA GLU 61 1.195 -5.573 -2.322 514 HB2 GLU 61 2HB GLU 61 -1.498 -5.112 -2.235 515 HB3 GLU 61 1HB GLU 61 -1.439 -6.709 -2.963 516 HG2 GLU 61 2HG GLU 61 0.322 -6.965 -0.897 517 HG3 GLU 61 1HG GLU 61 -0.882 -5.864 -0.230 518 H GLU 62 H GLU 62 -0.848 -6.228 -5.164 519 HA GLU 62 HA GLU 62 0.184 -8.768 -5.730 520 HB2 GLU 62 2HB GLU 62 -1.867 -7.314 -6.695 521 HB3 GLU 62 1HB GLU 62 -0.716 -7.101 -8.009 522 HG2 GLU 62 2HG GLU 62 -0.509 -9.553 -8.178 523 HG3 GLU 62 1HG GLU 62 -1.740 -9.715 -6.926 524 H GLU 63 H GLU 63 1.393 -5.589 -6.432 525 HA GLU 63 HA GLU 63 3.094 -6.204 -8.579 526 HB2 GLU 63 2HB GLU 63 2.564 -3.954 -6.889 527 HB3 GLU 63 1HB GLU 63 4.302 -4.156 -7.030 528 HG2 GLU 63 2HG GLU 63 2.885 -4.400 -9.568 529 HG3 GLU 63 1HG GLU 63 2.708 -2.825 -8.797 530 H ILE 64 H ILE 64 3.772 -6.068 -5.086 531 HA ILE 64 HA ILE 64 6.485 -6.787 -5.284 532 HB ILE 64 HB ILE 64 4.669 -7.371 -2.945 533 HG12 ILE 64 2HG1 ILE 64 6.131 -4.829 -3.688 534 HG13 ILE 64 1HG1 ILE 64 4.392 -5.041 -3.537 535 HG21 ILE 64 1HG2 ILE 64 6.691 -7.215 -1.621 536 HG22 ILE 64 2HG2 ILE 64 7.633 -6.829 -3.062 537 HG23 ILE 64 3HG2 ILE 64 6.894 -8.421 -2.892 538 HD11 ILE 64 1HD1 ILE 64 4.551 -5.291 -1.178 539 HD12 ILE 64 2HD1 ILE 64 5.474 -3.859 -1.634 540 HD13 ILE 64 3HD1 ILE 64 6.312 -5.363 -1.249 541 H LYS 65 H LYS 65 3.574 -8.659 -5.432 542 HA LYS 65 HA LYS 65 4.460 -11.160 -4.606 543 HB2 LYS 65 2HB LYS 65 2.528 -10.572 -6.854 544 HB3 LYS 65 1HB LYS 65 2.662 -12.087 -5.972 545 HG2 LYS 65 2HG LYS 65 1.785 -9.432 -4.860 546 HG3 LYS 65 1HG LYS 65 0.766 -10.837 -5.173 547 HD2 LYS 65 2HD LYS 65 2.021 -12.114 -3.503 548 HD3 LYS 65 1HD LYS 65 3.044 -10.708 -3.198 549 HE2 LYS 65 2HE LYS 65 1.364 -9.551 -2.125 550 HE3 LYS 65 1HE LYS 65 0.083 -10.444 -2.945 551 HZ1 LYS 65 1HZ LYS 65 1.806 -11.994 -1.190 552 HZ2 LYS 65 2HZ LYS 65 0.134 -12.085 -1.423 553 HZ3 LYS 65 3HZ LYS 65 0.784 -10.883 -0.426 554 H LYS 66 H LYS 66 4.867 -9.532 -7.703 555 HA LYS 66 HA LYS 66 5.915 -11.755 -9.107 556 HB2 LYS 66 2HB LYS 66 5.679 -8.852 -9.549 557 HB3 LYS 66 1HB LYS 66 7.038 -9.611 -10.367 558 HG2 LYS 66 2HG LYS 66 4.525 -11.075 -10.643 559 HG3 LYS 66 1HG LYS 66 4.497 -9.453 -11.336 560 HD2 LYS 66 2HD LYS 66 6.946 -10.885 -11.971 561 HD3 LYS 66 1HD LYS 66 5.507 -11.737 -12.533 562 HE2 LYS 66 2HE LYS 66 6.084 -8.830 -13.082 563 HE3 LYS 66 1HE LYS 66 6.470 -10.144 -14.192 564 HZ1 LYS 66 1HZ LYS 66 3.895 -8.963 -13.538 565 HZ2 LYS 66 2HZ LYS 66 3.907 -10.643 -13.740 566 HZ3 LYS 66 3HZ LYS 66 4.441 -9.638 -14.991 567 H LEU 67 H LEU 67 7.544 -8.955 -7.616 568 HA LEU 67 HA LEU 67 10.148 -10.021 -8.009 569 HB2 LEU 67 2HB LEU 67 10.923 -8.104 -6.918 570 HB3 LEU 67 1HB LEU 67 9.489 -7.586 -7.770 571 HG LEU 67 HG LEU 67 8.431 -8.200 -5.345 572 HD11 LEU 67 1HD1 LEU 67 10.348 -8.676 -4.132 573 HD12 LEU 67 2HD1 LEU 67 10.059 -6.977 -3.761 574 HD13 LEU 67 3HD1 LEU 67 11.291 -7.425 -4.941 575 HD21 LEU 67 1HD2 LEU 67 8.073 -6.152 -6.639 576 HD22 LEU 67 2HD2 LEU 67 9.661 -5.565 -6.146 577 HD23 LEU 67 3HD2 LEU 67 8.395 -5.800 -4.941 578 H6 HTS 101 H6 HTS 68 7.959 3.425 3.615 579 H3 HTS 101 H3 HTS 68 7.820 -0.897 1.255 580 H4 HTS 101 H4 HTS 68 9.980 0.220 1.647 581 H5 HTS 101 H5 HTS 68 10.048 2.375 2.837 582 HO1 HTS 101 HO1 HTS 68 5.518 3.341 3.042 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -18.680 -4.394 13.257 2 H2 GLY 1 2H GLY 1 -18.291 -4.332 11.612 3 H3 GLY 1 3H GLY 1 -18.194 -2.933 12.556 4 HA2 GLY 1 1HA GLY 1 -16.486 -4.181 13.944 5 HA3 GLY 1 2HA GLY 1 -16.423 -5.298 12.589 6 H SER 2 H SER 2 -14.121 -4.146 13.182 7 HA SER 2 HA SER 2 -13.653 -1.629 11.960 8 HB2 SER 2 2HB SER 2 -11.852 -3.871 12.854 9 HB3 SER 2 1HB SER 2 -11.208 -2.448 12.035 10 HG SER 2 HG SER 2 -12.173 -2.726 14.596 11 H ARG 3 H ARG 3 -13.202 -1.092 9.907 12 HA ARG 3 HA ARG 3 -12.792 -3.278 7.973 13 HB2 ARG 3 2HB ARG 3 -15.036 -2.315 7.744 14 HB3 ARG 3 1HB ARG 3 -14.337 -0.711 7.561 15 HG2 ARG 3 2HG ARG 3 -13.053 -2.096 5.600 16 HG3 ARG 3 1HG ARG 3 -14.638 -2.871 5.613 17 HD2 ARG 3 2HD ARG 3 -14.353 0.116 5.583 18 HD3 ARG 3 1HD ARG 3 -14.293 -0.825 4.094 19 HE ARG 3 HE ARG 3 -16.612 -0.256 5.696 20 HH11 ARG 3 1HH1 ARG 3 -15.215 -2.425 3.346 21 HH12 ARG 3 2HH1 ARG 3 -16.748 -2.970 2.752 22 HH21 ARG 3 1HH2 ARG 3 -18.629 -0.970 4.916 23 HH22 ARG 3 2HH2 ARG 3 -18.686 -2.143 3.642 24 H VAL 4 H VAL 4 -12.425 0.252 8.338 25 HA VAL 4 HA VAL 4 -10.229 0.293 6.459 26 HB VAL 4 HB VAL 4 -11.150 2.566 8.216 27 HG11 VAL 4 1HG1 VAL 4 -9.927 2.725 5.480 28 HG12 VAL 4 2HG1 VAL 4 -8.939 2.646 6.938 29 HG13 VAL 4 3HG1 VAL 4 -10.063 3.986 6.705 30 HG21 VAL 4 1HG2 VAL 4 -13.110 2.450 7.148 31 HG22 VAL 4 2HG2 VAL 4 -12.500 1.277 5.980 32 HG23 VAL 4 3HG2 VAL 4 -12.234 3.001 5.721 33 H LYS 5 H LYS 5 -10.676 0.294 9.920 34 HA LYS 5 HA LYS 5 -8.200 1.265 10.756 35 HB2 LYS 5 2HB LYS 5 -10.413 0.359 12.027 36 HB3 LYS 5 1HB LYS 5 -9.321 -0.991 12.304 37 HG2 LYS 5 2HG LYS 5 -7.689 0.527 13.300 38 HG3 LYS 5 1HG LYS 5 -8.781 1.884 13.019 39 HD2 LYS 5 2HD LYS 5 -9.500 1.463 15.105 40 HD3 LYS 5 1HD LYS 5 -10.401 0.146 14.352 41 HE2 LYS 5 2HE LYS 5 -9.076 -1.442 15.246 42 HE3 LYS 5 1HE LYS 5 -7.613 -0.481 15.037 43 HZ1 LYS 5 1HZ LYS 5 -8.377 -0.949 17.396 44 HZ2 LYS 5 2HZ LYS 5 -9.611 0.174 17.114 45 HZ3 LYS 5 3HZ LYS 5 -7.993 0.656 17.021 46 H ALA 6 H ALA 6 -9.141 -1.915 9.608 47 HA ALA 6 HA ALA 6 -6.620 -3.134 10.284 48 HB1 ALA 6 1HB ALA 6 -8.166 -4.786 10.293 49 HB2 ALA 6 2HB ALA 6 -7.709 -4.905 8.593 50 HB3 ALA 6 3HB ALA 6 -9.158 -4.014 9.056 51 H LEU 7 H LEU 7 -7.974 -1.461 7.565 52 HA LEU 7 HA LEU 7 -6.276 -2.449 5.541 53 HB2 LEU 7 2HB LEU 7 -8.429 -0.848 5.550 54 HB3 LEU 7 1HB LEU 7 -7.179 0.373 5.409 55 HG LEU 7 HG LEU 7 -7.651 -1.926 3.510 56 HD11 LEU 7 1HD1 LEU 7 -7.905 0.197 1.978 57 HD12 LEU 7 2HD1 LEU 7 -8.341 0.967 3.504 58 HD13 LEU 7 3HD1 LEU 7 -9.263 -0.418 2.920 59 HD21 LEU 7 1HD2 LEU 7 -5.926 -0.466 2.177 60 HD22 LEU 7 2HD2 LEU 7 -5.379 -1.674 3.340 61 HD23 LEU 7 3HD2 LEU 7 -5.423 0.031 3.793 62 H GLU 8 H GLU 8 -5.832 -0.060 8.032 63 HA GLU 8 HA GLU 8 -3.554 1.203 6.866 64 HB2 GLU 8 2HB GLU 8 -4.497 1.142 9.738 65 HB3 GLU 8 1HB GLU 8 -3.251 2.207 9.102 66 HG2 GLU 8 2HG GLU 8 -4.787 3.422 7.816 67 HG3 GLU 8 1HG GLU 8 -6.035 2.189 7.991 68 H GLU 9 H GLU 9 -4.053 -1.525 9.010 69 HA GLU 9 HA GLU 9 -1.282 -1.785 9.712 70 HB2 GLU 9 2HB GLU 9 -1.929 -3.787 10.865 71 HB3 GLU 9 1HB GLU 9 -3.161 -2.568 11.158 72 HG2 GLU 9 2HG GLU 9 -4.757 -3.712 10.051 73 HG3 GLU 9 1HG GLU 9 -3.627 -4.376 8.873 74 H LYS 10 H LYS 10 -3.219 -2.760 7.056 75 HA LYS 10 HA LYS 10 -1.740 -5.055 6.269 76 HB2 LYS 10 2HB LYS 10 -3.988 -3.530 5.293 77 HB3 LYS 10 1HB LYS 10 -2.900 -3.926 3.971 78 HG2 LYS 10 2HG LYS 10 -3.072 -6.266 4.445 79 HG3 LYS 10 1HG LYS 10 -3.991 -5.946 5.917 80 HD2 LYS 10 2HD LYS 10 -5.523 -6.627 4.198 81 HD3 LYS 10 1HD LYS 10 -5.762 -4.907 4.510 82 HE2 LYS 10 2HE LYS 10 -3.806 -5.053 2.509 83 HE3 LYS 10 1HE LYS 10 -5.033 -6.240 2.066 84 HZ1 LYS 10 1HZ LYS 10 -5.207 -3.674 1.441 85 HZ2 LYS 10 2HZ LYS 10 -6.010 -3.640 2.929 86 HZ3 LYS 10 3HZ LYS 10 -6.566 -4.651 1.693 87 H VAL 11 H VAL 11 -1.648 -1.649 5.278 88 HA VAL 11 HA VAL 11 0.483 -2.063 3.414 89 HB VAL 11 HB VAL 11 -0.423 0.562 4.587 90 HG11 VAL 11 1HG1 VAL 11 0.326 1.049 2.023 91 HG12 VAL 11 2HG1 VAL 11 1.453 -0.230 2.475 92 HG13 VAL 11 3HG1 VAL 11 1.373 1.253 3.427 93 HG21 VAL 11 1HG2 VAL 11 -1.713 -1.238 2.662 94 HG22 VAL 11 2HG2 VAL 11 -1.581 0.439 2.132 95 HG23 VAL 11 3HG2 VAL 11 -2.400 0.054 3.647 96 H LYS 12 H LYS 12 0.266 -1.222 6.770 97 HA LYS 12 HA LYS 12 2.829 -0.111 7.125 98 HB2 LYS 12 2HB LYS 12 0.659 -0.526 8.743 99 HB3 LYS 12 1HB LYS 12 1.792 -1.715 9.367 100 HG2 LYS 12 2HG LYS 12 3.175 0.747 8.989 101 HG3 LYS 12 1HG LYS 12 1.689 1.056 9.889 102 HD2 LYS 12 2HD LYS 12 3.011 0.500 11.647 103 HD3 LYS 12 1HD LYS 12 2.525 -1.133 11.182 104 HE2 LYS 12 2HE LYS 12 4.615 -1.031 9.642 105 HE3 LYS 12 1HE LYS 12 5.116 0.287 10.700 106 HZ1 LYS 12 1HZ LYS 12 5.507 -1.111 12.403 107 HZ2 LYS 12 2HZ LYS 12 5.677 -2.262 11.175 108 HZ3 LYS 12 3HZ LYS 12 4.218 -2.140 12.022 109 H ALA 13 H ALA 13 1.644 -3.408 7.056 110 HA ALA 13 HA ALA 13 4.199 -4.544 7.819 111 HB1 ALA 13 1HB ALA 13 2.033 -5.636 8.388 112 HB2 ALA 13 2HB ALA 13 3.145 -6.688 7.512 113 HB3 ALA 13 3HB ALA 13 1.785 -5.946 6.670 114 H LEU 14 H LEU 14 2.524 -3.573 5.005 115 HA LEU 14 HA LEU 14 3.827 -5.114 3.039 116 HB2 LEU 14 2HB LEU 14 1.693 -3.600 2.993 117 HB3 LEU 14 1HB LEU 14 2.821 -2.334 2.559 118 HG LEU 14 HG LEU 14 3.125 -4.750 0.934 119 HD11 LEU 14 1HD1 LEU 14 0.915 -5.172 0.787 120 HD12 LEU 14 2HD1 LEU 14 0.951 -3.819 -0.344 121 HD13 LEU 14 3HD1 LEU 14 0.459 -3.555 1.330 122 HD21 LEU 14 1HD2 LEU 14 3.173 -1.827 0.661 123 HD22 LEU 14 2HD2 LEU 14 2.558 -2.698 -0.744 124 HD23 LEU 14 3HD2 LEU 14 4.166 -3.060 -0.118 125 H GLU 15 H GLU 15 4.744 -2.307 4.842 126 HA GLU 15 HA GLU 15 6.774 -1.390 3.051 127 HB2 GLU 15 2HB GLU 15 5.814 0.237 4.481 128 HB3 GLU 15 1HB GLU 15 6.064 -0.756 5.910 129 HG2 GLU 15 2HG GLU 15 8.496 -0.446 5.661 130 HG3 GLU 15 1HG GLU 15 8.198 0.609 4.281 131 H GLU 16 H GLU 16 6.912 -2.965 6.255 132 HA GLU 16 HA GLU 16 9.614 -3.289 6.512 133 HB2 GLU 16 2HB GLU 16 9.057 -5.409 7.790 134 HB3 GLU 16 1HB GLU 16 8.244 -3.943 8.323 135 HG2 GLU 16 2HG GLU 16 6.221 -4.602 7.198 136 HG3 GLU 16 1HG GLU 16 7.024 -6.014 6.513 137 H LYS 17 H LYS 17 7.471 -5.025 4.384 138 HA LYS 17 HA LYS 17 9.325 -7.121 3.761 139 HB2 LYS 17 2HB LYS 17 6.893 -7.427 3.538 140 HB3 LYS 17 1HB LYS 17 6.856 -6.202 2.278 141 HG2 LYS 17 2HG LYS 17 6.927 -8.032 0.958 142 HG3 LYS 17 1HG LYS 17 8.664 -7.826 1.197 143 HD2 LYS 17 2HD LYS 17 8.179 -9.339 3.316 144 HD3 LYS 17 1HD LYS 17 6.812 -9.859 2.329 145 HE2 LYS 17 2HE LYS 17 8.802 -9.970 0.508 146 HE3 LYS 17 1HE LYS 17 9.699 -10.340 1.980 147 HZ1 LYS 17 1HZ LYS 17 8.455 -12.239 2.357 148 HZ2 LYS 17 2HZ LYS 17 8.639 -12.255 0.676 149 HZ3 LYS 17 3HZ LYS 17 7.180 -11.744 1.362 150 H VAL 18 H VAL 18 8.396 -4.050 2.292 151 HA VAL 18 HA VAL 18 10.044 -4.417 -0.029 152 HB VAL 18 HB VAL 18 8.866 -1.854 1.003 153 HG11 VAL 18 1HG1 VAL 18 10.665 -1.785 -0.778 154 HG12 VAL 18 2HG1 VAL 18 9.137 -1.001 -1.182 155 HG13 VAL 18 3HG1 VAL 18 9.511 -2.595 -1.838 156 HG21 VAL 18 1HG2 VAL 18 7.579 -3.519 -1.117 157 HG22 VAL 18 2HG2 VAL 18 6.865 -2.294 -0.067 158 HG23 VAL 18 3HG2 VAL 18 7.285 -3.879 0.584 159 H LYS 19 H LYS 19 10.216 -2.306 2.833 160 HA LYS 19 HA LYS 19 12.575 -1.003 2.293 161 HB2 LYS 19 2HB LYS 19 11.306 -1.855 4.876 162 HB3 LYS 19 1HB LYS 19 12.840 -0.996 4.867 163 HG2 LYS 19 2HG LYS 19 11.050 0.401 3.168 164 HG3 LYS 19 1HG LYS 19 10.216 0.057 4.685 165 HD2 LYS 19 2HD LYS 19 12.424 0.907 5.774 166 HD3 LYS 19 1HD LYS 19 12.696 1.658 4.201 167 HE2 LYS 19 2HE LYS 19 10.043 2.246 4.862 168 HE3 LYS 19 1HE LYS 19 10.958 2.475 6.351 169 HZ1 LYS 19 1HZ LYS 19 11.066 3.968 3.858 170 HZ2 LYS 19 2HZ LYS 19 12.549 3.706 4.628 171 HZ3 LYS 19 3HZ LYS 19 11.299 4.496 5.449 172 H ALA 20 H ALA 20 12.114 -4.286 3.377 173 HA ALA 20 HA ALA 20 14.960 -4.639 3.904 174 HB1 ALA 20 1HB ALA 20 14.405 -6.456 5.119 175 HB2 ALA 20 2HB ALA 20 13.179 -6.986 3.966 176 HB3 ALA 20 3HB ALA 20 12.809 -5.705 5.121 177 H LEU 21 H LEU 21 12.850 -4.870 1.286 178 HA LEU 21 HA LEU 21 13.923 -7.111 -0.070 179 HB2 LEU 21 2HB LEU 21 11.793 -5.429 -0.434 180 HB3 LEU 21 1HB LEU 21 12.864 -4.934 -1.728 181 HG LEU 21 HG LEU 21 11.888 -7.752 -1.270 182 HD11 LEU 21 1HD1 LEU 21 11.114 -5.876 -3.485 183 HD12 LEU 21 2HD1 LEU 21 10.175 -6.047 -2.003 184 HD13 LEU 21 3HD1 LEU 21 10.397 -7.433 -3.070 185 HD21 LEU 21 1HD2 LEU 21 13.174 -8.439 -2.999 186 HD22 LEU 21 2HD2 LEU 21 14.179 -7.083 -2.490 187 HD23 LEU 21 3HD2 LEU 21 13.061 -6.894 -3.841 188 H GLY 22 H GLY 22 14.227 -3.685 -1.018 189 HA2 GLY 22 2HA GLY 22 16.912 -3.320 -1.019 190 HA3 GLY 22 1HA GLY 22 16.648 -4.260 -2.480 191 H GLY 23 H GLY 23 16.539 -3.056 -4.246 192 HA2 GLY 23 2HA GLY 23 14.725 -1.011 -4.706 193 HA3 GLY 23 1HA GLY 23 16.204 -0.234 -4.159 194 H GLY 24 H GLY 24 15.021 0.111 -6.718 195 HA2 GLY 24 2HA GLY 24 16.189 0.528 -8.743 196 HA3 GLY 24 1HA GLY 24 17.277 -0.797 -8.357 197 H GLY 25 H GLY 25 14.280 0.124 -9.826 198 HA2 GLY 25 2HA GLY 25 13.629 -1.213 -11.780 199 HA3 GLY 25 1HA GLY 25 13.988 -2.643 -10.824 200 H ARG 26 H ARG 26 12.064 -3.646 -10.695 201 HA ARG 26 HA ARG 26 9.556 -2.446 -10.587 202 HB2 ARG 26 2HB ARG 26 8.679 -4.577 -10.056 203 HB3 ARG 26 1HB ARG 26 10.096 -4.882 -11.050 204 HG2 ARG 26 2HG ARG 26 10.064 -5.029 -8.043 205 HG3 ARG 26 1HG ARG 26 9.878 -6.414 -9.118 206 HD2 ARG 26 2HD ARG 26 12.103 -5.602 -10.155 207 HD3 ARG 26 1HD ARG 26 12.274 -4.677 -8.665 208 HE ARG 26 HE ARG 26 11.695 -7.459 -8.238 209 HH11 ARG 26 1HH1 ARG 26 14.221 -5.112 -8.777 210 HH12 ARG 26 2HH1 ARG 26 15.451 -6.081 -8.037 211 HH21 ARG 26 1HH2 ARG 26 13.311 -8.734 -7.265 212 HH22 ARG 26 2HH2 ARG 26 14.934 -8.138 -7.178 213 H ILE 27 H ILE 27 11.888 -2.996 -8.076 214 HA ILE 27 HA ILE 27 10.123 -2.733 -5.871 215 HB ILE 27 HB ILE 27 13.093 -2.189 -5.940 216 HG12 ILE 27 2HG1 ILE 27 11.833 -4.749 -5.006 217 HG13 ILE 27 1HG1 ILE 27 12.171 -4.504 -6.716 218 HG21 ILE 27 1HG2 ILE 27 11.069 -2.260 -3.808 219 HG22 ILE 27 2HG2 ILE 27 12.622 -1.428 -3.875 220 HG23 ILE 27 3HG2 ILE 27 12.556 -3.143 -3.467 221 HD11 ILE 27 1HD1 ILE 27 14.070 -4.756 -4.430 222 HD12 ILE 27 2HD1 ILE 27 14.554 -3.917 -5.904 223 HD13 ILE 27 3HD1 ILE 27 14.051 -5.607 -5.975 224 H GLU 28 H GLU 28 11.832 -0.468 -7.897 225 HA GLU 28 HA GLU 28 11.761 1.784 -6.222 226 HB2 GLU 28 2HB GLU 28 13.046 1.507 -8.390 227 HB3 GLU 28 1HB GLU 28 11.538 1.841 -9.230 228 HG2 GLU 28 2HG GLU 28 11.821 3.893 -7.355 229 HG3 GLU 28 1HG GLU 28 13.422 3.662 -8.055 230 H GLU 29 H GLU 29 9.536 0.904 -8.879 231 HA GLU 29 HA GLU 29 7.709 2.976 -8.485 232 HB2 GLU 29 2HB GLU 29 7.705 1.605 -10.497 233 HB3 GLU 29 1HB GLU 29 7.238 0.191 -9.562 234 HG2 GLU 29 2HG GLU 29 5.094 0.696 -9.762 235 HG3 GLU 29 1HG GLU 29 5.366 2.315 -9.118 236 H LEU 30 H LEU 30 8.041 -0.111 -6.887 237 HA LEU 30 HA LEU 30 5.512 -0.098 -5.586 238 HB2 LEU 30 2HB LEU 30 8.080 -1.586 -5.099 239 HB3 LEU 30 1HB LEU 30 6.679 -1.793 -4.067 240 HG LEU 30 HG LEU 30 6.319 -2.165 -7.001 241 HD11 LEU 30 1HD1 LEU 30 7.727 -3.862 -7.195 242 HD12 LEU 30 2HD1 LEU 30 6.953 -4.678 -5.837 243 HD13 LEU 30 3HD1 LEU 30 8.302 -3.577 -5.552 244 HD21 LEU 30 1HD2 LEU 30 4.318 -2.677 -6.155 245 HD22 LEU 30 2HD2 LEU 30 4.948 -2.808 -4.513 246 HD23 LEU 30 3HD2 LEU 30 5.062 -4.181 -5.614 247 H LYS 31 H LYS 31 8.507 1.481 -4.959 248 HA LYS 31 HA LYS 31 8.118 1.829 -2.142 249 HB2 LYS 31 2HB LYS 31 10.348 1.767 -3.208 250 HB3 LYS 31 1HB LYS 31 9.985 3.288 -4.012 251 HG2 LYS 31 2HG LYS 31 10.533 4.475 -2.218 252 HG3 LYS 31 1HG LYS 31 9.567 3.454 -1.152 253 HD2 LYS 31 2HD LYS 31 11.345 1.898 -0.890 254 HD3 LYS 31 1HD LYS 31 12.270 2.638 -2.199 255 HE2 LYS 31 2HE LYS 31 13.078 4.271 -0.874 256 HE3 LYS 31 1HE LYS 31 11.560 4.450 0.004 257 HZ1 LYS 31 1HZ LYS 31 12.152 2.893 1.532 258 HZ2 LYS 31 2HZ LYS 31 13.696 3.462 1.140 259 HZ3 LYS 31 3HZ LYS 31 13.128 2.022 0.459 260 H LYS 32 H LYS 32 8.146 4.191 -4.827 261 HA LYS 32 HA LYS 32 7.376 6.417 -3.422 262 HB2 LYS 32 2HB LYS 32 7.722 5.743 -6.111 263 HB3 LYS 32 1HB LYS 32 6.086 6.378 -6.013 264 HG2 LYS 32 2HG LYS 32 7.695 8.117 -4.505 265 HG3 LYS 32 1HG LYS 32 8.581 7.778 -5.992 266 HD2 LYS 32 2HD LYS 32 6.366 8.262 -7.192 267 HD3 LYS 32 1HD LYS 32 5.847 8.977 -5.664 268 HE2 LYS 32 2HE LYS 32 7.758 10.502 -5.730 269 HE3 LYS 32 1HE LYS 32 8.281 9.783 -7.253 270 HZ1 LYS 32 1HZ LYS 32 6.756 11.950 -7.106 271 HZ2 LYS 32 2HZ LYS 32 5.548 10.767 -7.183 272 HZ3 LYS 32 3HZ LYS 32 6.708 10.873 -8.410 273 H LYS 33 H LYS 33 5.152 4.344 -5.271 274 HA LYS 33 HA LYS 33 2.803 5.589 -4.391 275 HB2 LYS 33 2HB LYS 33 3.050 4.044 -6.363 276 HB3 LYS 33 1HB LYS 33 3.045 2.703 -5.227 277 HG2 LYS 33 2HG LYS 33 0.816 3.230 -4.518 278 HG3 LYS 33 1HG LYS 33 0.817 4.710 -5.480 279 HD2 LYS 33 2HD LYS 33 -0.310 3.322 -6.904 280 HD3 LYS 33 1HD LYS 33 1.345 3.019 -7.440 281 HE2 LYS 33 2HE LYS 33 0.473 1.320 -5.221 282 HE3 LYS 33 1HE LYS 33 -0.457 1.099 -6.702 283 HZ1 LYS 33 1HZ LYS 33 1.643 -0.296 -6.368 284 HZ2 LYS 33 2HZ LYS 33 2.493 1.114 -6.758 285 HZ3 LYS 33 3HZ LYS 33 1.416 0.443 -7.874 286 H CYS 34 H CYS 34 4.809 3.231 -2.841 287 HA CYS 34 HA CYS 34 2.964 2.033 -1.112 288 HB2 CYS 34 2HB CYS 34 5.742 1.975 -1.522 289 HB3 CYS 34 1HB CYS 34 5.526 2.391 0.169 290 H GLU 35 H GLU 35 5.210 4.710 -0.351 291 HA GLU 35 HA GLU 35 4.118 5.195 2.192 292 HB2 GLU 35 2HB GLU 35 5.364 7.404 1.996 293 HB3 GLU 35 1HB GLU 35 6.320 5.935 1.864 294 HG2 GLU 35 2HG GLU 35 6.991 6.440 -0.187 295 HG3 GLU 35 1HG GLU 35 5.354 6.833 -0.703 296 H GLU 36 H GLU 36 3.766 7.105 -0.807 297 HA GLU 36 HA GLU 36 2.074 9.047 0.100 298 HB2 GLU 36 2HB GLU 36 3.042 8.923 -2.186 299 HB3 GLU 36 1HB GLU 36 1.864 7.680 -2.587 300 HG2 GLU 36 2HG GLU 36 0.061 9.197 -2.400 301 HG3 GLU 36 1HG GLU 36 1.082 10.424 -1.652 302 H LEU 37 H LEU 37 1.359 5.714 -0.514 303 HA LEU 37 HA LEU 37 -1.464 5.927 -0.640 304 HB2 LEU 37 2HB LEU 37 -0.486 4.009 -1.590 305 HB3 LEU 37 1HB LEU 37 0.447 3.666 -0.149 306 HG LEU 37 HG LEU 37 -1.495 2.892 1.020 307 HD11 LEU 37 1HD1 LEU 37 -3.699 3.058 0.270 308 HD12 LEU 37 2HD1 LEU 37 -3.207 3.432 -1.382 309 HD13 LEU 37 3HD1 LEU 37 -3.004 4.634 -0.107 310 HD21 LEU 37 1HD2 LEU 37 -2.032 1.617 -1.586 311 HD22 LEU 37 2HD2 LEU 37 -1.641 0.896 -0.024 312 HD23 LEU 37 3HD2 LEU 37 -0.360 1.578 -1.027 313 H LYS 38 H LYS 38 0.787 5.208 2.011 314 HA LYS 38 HA LYS 38 -1.157 4.588 3.943 315 HB2 LYS 38 2HB LYS 38 1.652 4.791 3.835 316 HB3 LYS 38 1HB LYS 38 1.135 5.835 5.153 317 HG2 LYS 38 2HG LYS 38 -0.290 3.359 5.288 318 HG3 LYS 38 1HG LYS 38 1.441 3.041 5.168 319 HD2 LYS 38 2HD LYS 38 0.589 5.171 7.043 320 HD3 LYS 38 1HD LYS 38 0.210 3.508 7.494 321 HE2 LYS 38 2HE LYS 38 2.636 2.967 7.036 322 HE3 LYS 38 1HE LYS 38 2.913 4.705 6.927 323 HZ1 LYS 38 1HZ LYS 38 2.653 4.979 9.143 324 HZ2 LYS 38 2HZ LYS 38 3.163 3.367 9.181 325 HZ3 LYS 38 3HZ LYS 38 1.516 3.735 9.296 326 H LYS 39 H LYS 39 0.680 7.628 3.571 327 HA LYS 39 HA LYS 39 -0.582 9.126 5.495 328 HB2 LYS 39 2HB LYS 39 0.223 11.080 4.355 329 HB3 LYS 39 1HB LYS 39 1.425 9.808 4.185 330 HG2 LYS 39 2HG LYS 39 0.493 9.332 1.922 331 HG3 LYS 39 1HG LYS 39 -0.528 10.760 2.106 332 HD2 LYS 39 2HD LYS 39 2.056 11.601 2.773 333 HD3 LYS 39 1HD LYS 39 2.251 10.574 1.351 334 HE2 LYS 39 2HE LYS 39 1.189 12.028 -0.004 335 HE3 LYS 39 1HE LYS 39 0.013 12.479 1.230 336 HZ1 LYS 39 1HZ LYS 39 2.602 13.661 0.611 337 HZ2 LYS 39 2HZ LYS 39 2.183 13.588 2.247 338 HZ3 LYS 39 3HZ LYS 39 1.178 14.395 1.153 339 H LYS 40 H LYS 40 -1.769 8.210 2.356 340 HA LYS 40 HA LYS 40 -3.831 10.163 2.188 341 HB2 LYS 40 2HB LYS 40 -2.865 8.805 0.272 342 HB3 LYS 40 1HB LYS 40 -3.830 7.456 0.855 343 HG2 LYS 40 2HG LYS 40 -5.801 8.392 0.186 344 HG3 LYS 40 1HG LYS 40 -5.199 10.043 0.349 345 HD2 LYS 40 2HD LYS 40 -5.495 9.549 -1.987 346 HD3 LYS 40 1HD LYS 40 -3.768 9.662 -1.644 347 HE2 LYS 40 2HE LYS 40 -3.405 7.514 -2.175 348 HE3 LYS 40 1HE LYS 40 -4.860 6.966 -1.344 349 HZ1 LYS 40 1HZ LYS 40 -4.517 7.809 -4.129 350 HZ2 LYS 40 2HZ LYS 40 -6.009 8.093 -3.388 351 HZ3 LYS 40 3HZ LYS 40 -5.406 6.517 -3.496 352 H ILE 41 H ILE 41 -3.550 7.061 3.745 353 HA ILE 41 HA ILE 41 -6.366 6.668 4.119 354 HB ILE 41 HB ILE 41 -4.195 5.414 5.790 355 HG12 ILE 41 2HG1 ILE 41 -5.151 4.617 3.033 356 HG13 ILE 41 1HG1 ILE 41 -3.522 5.097 3.488 357 HG21 ILE 41 1HG2 ILE 41 -5.756 3.623 6.077 358 HG22 ILE 41 2HG2 ILE 41 -6.862 4.332 4.901 359 HG23 ILE 41 3HG2 ILE 41 -6.581 5.136 6.446 360 HD11 ILE 41 1HD1 ILE 41 -3.861 2.648 3.149 361 HD12 ILE 41 2HD1 ILE 41 -4.890 2.658 4.581 362 HD13 ILE 41 3HD1 ILE 41 -3.187 3.097 4.715 363 H GLU 42 H GLU 42 -3.771 8.191 5.905 364 HA GLU 42 HA GLU 42 -5.148 8.458 8.370 365 HB2 GLU 42 2HB GLU 42 -2.840 10.013 7.189 366 HB3 GLU 42 1HB GLU 42 -3.431 10.236 8.830 367 HG2 GLU 42 2HG GLU 42 -2.918 7.880 9.312 368 HG3 GLU 42 1HG GLU 42 -2.270 7.708 7.681 369 H GLU 43 H GLU 43 -5.010 10.351 5.432 370 HA GLU 43 HA GLU 43 -6.327 12.648 6.512 371 HB2 GLU 43 2HB GLU 43 -6.357 13.489 4.284 372 HB3 GLU 43 1HB GLU 43 -4.828 12.648 4.484 373 HG2 GLU 43 2HG GLU 43 -5.320 11.110 2.930 374 HG3 GLU 43 1HG GLU 43 -7.017 11.024 3.386 375 H LEU 44 H LEU 44 -7.315 9.661 5.053 376 HA LEU 44 HA LEU 44 -9.941 10.322 4.322 377 HB2 LEU 44 2HB LEU 44 -8.415 7.840 4.836 378 HB3 LEU 44 1HB LEU 44 -10.157 7.703 4.944 379 HG LEU 44 HG LEU 44 -8.681 8.770 2.540 380 HD11 LEU 44 1HD1 LEU 44 -8.108 6.510 2.602 381 HD12 LEU 44 2HD1 LEU 44 -9.523 6.563 1.551 382 HD13 LEU 44 3HD1 LEU 44 -9.687 6.032 3.225 383 HD21 LEU 44 1HD2 LEU 44 -10.770 9.673 2.317 384 HD22 LEU 44 2HD2 LEU 44 -11.546 8.383 3.236 385 HD23 LEU 44 3HD2 LEU 44 -11.037 8.097 1.572 386 H GLY 45 H GLY 45 -11.933 9.511 5.381 387 HA2 GLY 45 2HA GLY 45 -11.717 9.614 8.325 388 HA3 GLY 45 1HA GLY 45 -12.934 10.539 7.460 389 H GLY 46 H GLY 46 -14.687 9.450 6.484 390 HA2 GLY 46 2HA GLY 46 -15.353 6.965 7.842 391 HA3 GLY 46 1HA GLY 46 -16.446 7.958 6.889 392 H GLY 47 H GLY 47 -16.795 7.467 4.776 393 HA2 GLY 47 2HA GLY 47 -15.137 5.322 3.609 394 HA3 GLY 47 1HA GLY 47 -16.892 5.240 3.553 395 H GLY 48 H GLY 48 -17.198 5.332 1.377 396 HA2 GLY 48 2HA GLY 48 -17.525 6.372 -0.648 397 HA3 GLY 48 1HA GLY 48 -17.094 7.887 0.135 398 H GLU 49 H GLU 49 -14.819 8.407 0.340 399 HA GLU 49 HA GLU 49 -13.397 7.896 -2.060 400 HB2 GLU 49 2HB GLU 49 -13.217 10.003 -0.761 401 HB3 GLU 49 1HB GLU 49 -12.379 9.123 0.509 402 HG2 GLU 49 2HG GLU 49 -10.896 8.482 -1.685 403 HG3 GLU 49 1HG GLU 49 -11.396 10.133 -2.049 404 H VAL 50 H VAL 50 -13.422 6.402 1.068 405 HA VAL 50 HA VAL 50 -10.900 5.198 1.094 406 HB VAL 50 HB VAL 50 -13.426 3.975 2.201 407 HG11 VAL 50 1HG1 VAL 50 -11.405 3.462 3.960 408 HG12 VAL 50 2HG1 VAL 50 -10.568 3.379 2.409 409 HG13 VAL 50 3HG1 VAL 50 -11.968 2.351 2.712 410 HG21 VAL 50 1HG2 VAL 50 -13.418 6.171 3.054 411 HG22 VAL 50 2HG2 VAL 50 -11.669 6.160 3.285 412 HG23 VAL 50 3HG2 VAL 50 -12.702 5.175 4.321 413 H LYS 51 H LYS 51 -13.637 4.540 -0.876 414 HA LYS 51 HA LYS 51 -13.108 1.799 -1.418 415 HB2 LYS 51 2HB LYS 51 -15.288 3.064 -1.808 416 HB3 LYS 51 1HB LYS 51 -14.535 3.714 -3.258 417 HG2 LYS 51 2HG LYS 51 -14.205 1.408 -4.078 418 HG3 LYS 51 1HG LYS 51 -15.064 0.812 -2.657 419 HD2 LYS 51 2HD LYS 51 -16.718 0.882 -4.296 420 HD3 LYS 51 1HD LYS 51 -16.959 2.389 -3.410 421 HE2 LYS 51 2HE LYS 51 -15.074 2.575 -5.652 422 HE3 LYS 51 1HE LYS 51 -16.730 2.186 -6.118 423 HZ1 LYS 51 1HZ LYS 51 -15.851 4.527 -4.517 424 HZ2 LYS 51 2HZ LYS 51 -17.465 4.132 -4.831 425 HZ3 LYS 51 3HZ LYS 51 -16.434 4.552 -6.106 426 H LYS 52 H LYS 52 -12.054 4.829 -2.845 427 HA LYS 52 HA LYS 52 -10.848 3.645 -5.150 428 HB2 LYS 52 2HB LYS 52 -11.513 5.939 -5.285 429 HB3 LYS 52 1HB LYS 52 -10.576 6.360 -3.858 430 HG2 LYS 52 2HG LYS 52 -8.520 6.056 -5.031 431 HG3 LYS 52 1HG LYS 52 -9.358 5.385 -6.431 432 HD2 LYS 52 2HD LYS 52 -10.296 7.468 -6.999 433 HD3 LYS 52 1HD LYS 52 -9.909 8.163 -5.423 434 HE2 LYS 52 2HE LYS 52 -7.772 8.617 -6.000 435 HE3 LYS 52 1HE LYS 52 -7.618 7.163 -6.985 436 HZ1 LYS 52 1HZ LYS 52 -7.556 9.310 -8.232 437 HZ2 LYS 52 2HZ LYS 52 -9.184 9.533 -7.832 438 HZ3 LYS 52 3HZ LYS 52 -8.720 8.210 -8.778 439 H VAL 53 H VAL 53 -9.448 5.148 -2.234 440 HA VAL 53 HA VAL 53 -6.791 4.535 -2.693 441 HB VAL 53 HB VAL 53 -8.125 4.550 0.018 442 HG11 VAL 53 1HG1 VAL 53 -5.971 3.798 0.396 443 HG12 VAL 53 2HG1 VAL 53 -5.794 5.542 0.585 444 HG13 VAL 53 3HG1 VAL 53 -5.292 4.762 -0.915 445 HG21 VAL 53 1HG2 VAL 53 -8.177 6.591 -1.831 446 HG22 VAL 53 2HG2 VAL 53 -6.787 6.996 -0.825 447 HG23 VAL 53 3HG2 VAL 53 -8.373 6.769 -0.088 448 H GLU 54 H GLU 54 -9.372 2.444 -1.686 449 HA GLU 54 HA GLU 54 -7.831 0.374 -0.542 450 HB2 GLU 54 2HB GLU 54 -10.373 0.732 -0.435 451 HB3 GLU 54 1HB GLU 54 -10.427 -0.051 -2.008 452 HG2 GLU 54 2HG GLU 54 -8.911 -1.498 0.044 453 HG3 GLU 54 1HG GLU 54 -10.637 -1.334 0.361 454 H GLU 55 H GLU 55 -8.773 1.128 -3.835 455 HA GLU 55 HA GLU 55 -7.837 -1.334 -4.954 456 HB2 GLU 55 2HB GLU 55 -9.570 -0.032 -6.073 457 HB3 GLU 55 1HB GLU 55 -8.465 1.324 -6.254 458 HG2 GLU 55 2HG GLU 55 -6.998 -0.290 -7.589 459 HG3 GLU 55 1HG GLU 55 -8.423 -1.326 -7.650 460 H GLU 56 H GLU 56 -6.426 1.747 -4.192 461 HA GLU 56 HA GLU 56 -4.132 1.538 -5.854 462 HB2 GLU 56 2HB GLU 56 -4.937 3.236 -3.532 463 HB3 GLU 56 1HB GLU 56 -3.249 3.218 -4.018 464 HG2 GLU 56 2HG GLU 56 -4.420 3.606 -6.407 465 HG3 GLU 56 1HG GLU 56 -5.594 4.388 -5.351 466 H VAL 57 H VAL 57 -4.957 0.320 -2.700 467 HA VAL 57 HA VAL 57 -2.234 -0.353 -2.000 468 HB VAL 57 HB VAL 57 -4.748 -1.328 -0.647 469 HG11 VAL 57 1HG1 VAL 57 -2.853 -2.540 0.091 470 HG12 VAL 57 2HG1 VAL 57 -3.199 -1.346 1.341 471 HG13 VAL 57 3HG1 VAL 57 -1.874 -1.077 0.209 472 HG21 VAL 57 1HG2 VAL 57 -3.937 1.347 -0.919 473 HG22 VAL 57 2HG2 VAL 57 -3.493 0.866 0.719 474 HG23 VAL 57 3HG2 VAL 57 -5.161 0.697 0.172 475 H LYS 58 H LYS 58 -4.937 -1.853 -3.552 476 HA LYS 58 HA LYS 58 -4.075 -4.554 -3.203 477 HB2 LYS 58 2HB LYS 58 -6.288 -3.146 -4.475 478 HB3 LYS 58 1HB LYS 58 -5.744 -4.533 -5.411 479 HG2 LYS 58 2HG LYS 58 -5.878 -5.785 -3.136 480 HG3 LYS 58 1HG LYS 58 -6.930 -4.444 -2.675 481 HD2 LYS 58 2HD LYS 58 -8.601 -5.106 -4.053 482 HD3 LYS 58 1HD LYS 58 -7.490 -5.697 -5.290 483 HE2 LYS 58 2HE LYS 58 -8.507 -7.634 -4.486 484 HE3 LYS 58 1HE LYS 58 -6.965 -7.584 -3.634 485 HZ1 LYS 58 1HZ LYS 58 -9.301 -6.339 -2.374 486 HZ2 LYS 58 2HZ LYS 58 -7.966 -7.094 -1.660 487 HZ3 LYS 58 3HZ LYS 58 -9.187 -8.027 -2.363 488 H LYS 59 H LYS 59 -3.441 -2.045 -5.538 489 HA LYS 59 HA LYS 59 -2.440 -3.796 -7.569 490 HB2 LYS 59 2HB LYS 59 -3.376 -1.542 -8.036 491 HB3 LYS 59 1HB LYS 59 -1.980 -0.828 -7.241 492 HG2 LYS 59 2HG LYS 59 -1.179 -2.714 -9.277 493 HG3 LYS 59 1HG LYS 59 -2.232 -1.458 -9.931 494 HD2 LYS 59 2HD LYS 59 -0.578 0.028 -8.389 495 HD3 LYS 59 1HD LYS 59 0.512 -1.274 -8.871 496 HE2 LYS 59 2HE LYS 59 0.086 -0.840 -11.197 497 HE3 LYS 59 1HE LYS 59 -1.158 0.341 -10.792 498 HZ1 LYS 59 1HZ LYS 59 0.761 1.513 -9.559 499 HZ2 LYS 59 2HZ LYS 59 0.666 1.651 -11.242 500 HZ3 LYS 59 3HZ LYS 59 1.767 0.574 -10.544 501 H LEU 60 H LEU 60 -0.952 -1.880 -4.986 502 HA LEU 60 HA LEU 60 1.717 -2.474 -5.871 503 HB2 LEU 60 2HB LEU 60 0.900 -0.448 -4.484 504 HB3 LEU 60 1HB LEU 60 1.036 -1.530 -3.110 505 HG LEU 60 HG LEU 60 3.423 -1.556 -4.771 506 HD11 LEU 60 1HD1 LEU 60 3.845 0.830 -3.461 507 HD12 LEU 60 2HD1 LEU 60 2.240 1.012 -4.170 508 HD13 LEU 60 3HD1 LEU 60 3.617 0.606 -5.196 509 HD21 LEU 60 1HD2 LEU 60 4.494 -1.180 -2.579 510 HD22 LEU 60 2HD2 LEU 60 3.369 -2.539 -2.576 511 HD23 LEU 60 3HD2 LEU 60 2.893 -0.998 -1.861 512 H GLU 61 H GLU 61 -0.584 -3.991 -3.778 513 HA GLU 61 HA GLU 61 1.251 -5.529 -2.254 514 HB2 GLU 61 2HB GLU 61 -1.448 -5.042 -2.157 515 HB3 GLU 61 1HB GLU 61 -1.399 -6.704 -2.721 516 HG2 GLU 61 2HG GLU 61 0.404 -6.743 -0.673 517 HG3 GLU 61 1HG GLU 61 -0.796 -5.587 -0.099 518 H GLU 62 H GLU 62 -0.838 -6.351 -5.013 519 HA GLU 62 HA GLU 62 0.198 -8.942 -5.409 520 HB2 GLU 62 2HB GLU 62 -1.928 -7.585 -6.383 521 HB3 GLU 62 1HB GLU 62 -0.844 -7.474 -7.762 522 HG2 GLU 62 2HG GLU 62 -0.623 -9.917 -7.766 523 HG3 GLU 62 1HG GLU 62 -1.745 -10.005 -6.408 524 H GLU 63 H GLU 63 1.270 -5.793 -6.372 525 HA GLU 63 HA GLU 63 2.883 -6.415 -8.561 526 HB2 GLU 63 2HB GLU 63 2.713 -4.214 -6.589 527 HB3 GLU 63 1HB GLU 63 4.245 -4.364 -7.430 528 HG2 GLU 63 2HG GLU 63 1.940 -4.537 -9.202 529 HG3 GLU 63 1HG GLU 63 2.047 -3.009 -8.329 530 H ILE 64 H ILE 64 3.841 -6.063 -5.151 531 HA ILE 64 HA ILE 64 6.493 -6.878 -5.439 532 HB ILE 64 HB ILE 64 4.773 -7.304 -2.992 533 HG12 ILE 64 2HG1 ILE 64 6.287 -4.841 -3.890 534 HG13 ILE 64 1HG1 ILE 64 4.542 -4.993 -3.729 535 HG21 ILE 64 1HG2 ILE 64 6.636 -7.880 -1.919 536 HG22 ILE 64 2HG2 ILE 64 7.524 -6.505 -2.573 537 HG23 ILE 64 3HG2 ILE 64 7.411 -8.001 -3.498 538 HD11 ILE 64 1HD1 ILE 64 5.752 -3.771 -1.884 539 HD12 ILE 64 2HD1 ILE 64 6.404 -5.338 -1.405 540 HD13 ILE 64 3HD1 ILE 64 4.661 -5.064 -1.384 541 H LYS 65 H LYS 65 3.552 -8.710 -5.348 542 HA LYS 65 HA LYS 65 4.561 -11.196 -4.506 543 HB2 LYS 65 2HB LYS 65 2.098 -10.163 -5.509 544 HB3 LYS 65 1HB LYS 65 2.491 -11.614 -6.422 545 HG2 LYS 65 2HG LYS 65 1.236 -12.412 -4.648 546 HG3 LYS 65 1HG LYS 65 2.897 -12.699 -4.129 547 HD2 LYS 65 2HD LYS 65 1.989 -10.065 -3.349 548 HD3 LYS 65 1HD LYS 65 0.915 -11.323 -2.734 549 HE2 LYS 65 2HE LYS 65 3.341 -12.409 -2.199 550 HE3 LYS 65 1HE LYS 65 3.699 -10.691 -2.023 551 HZ1 LYS 65 1HZ LYS 65 1.664 -10.617 -0.546 552 HZ2 LYS 65 2HZ LYS 65 3.018 -11.411 0.082 553 HZ3 LYS 65 3HZ LYS 65 1.722 -12.308 -0.530 554 H LYS 66 H LYS 66 4.613 -9.566 -7.596 555 HA LYS 66 HA LYS 66 5.258 -11.784 -9.215 556 HB2 LYS 66 2HB LYS 66 6.028 -8.890 -9.638 557 HB3 LYS 66 1HB LYS 66 5.978 -10.146 -10.868 558 HG2 LYS 66 2HG LYS 66 3.451 -10.288 -9.956 559 HG3 LYS 66 1HG LYS 66 3.795 -8.581 -9.668 560 HD2 LYS 66 2HD LYS 66 3.675 -8.102 -11.847 561 HD3 LYS 66 1HD LYS 66 4.734 -9.448 -12.272 562 HE2 LYS 66 2HE LYS 66 1.895 -9.975 -11.505 563 HE3 LYS 66 1HE LYS 66 2.270 -9.396 -13.128 564 HZ1 LYS 66 1HZ LYS 66 3.876 -11.617 -12.168 565 HZ2 LYS 66 2HZ LYS 66 3.212 -11.343 -13.699 566 HZ3 LYS 66 3HZ LYS 66 2.245 -11.965 -12.458 567 H LEU 67 H LEU 67 7.299 -9.393 -7.564 568 HA LEU 67 HA LEU 67 9.712 -10.759 -8.386 569 HB2 LEU 67 2HB LEU 67 10.756 -8.975 -6.870 570 HB3 LEU 67 1HB LEU 67 10.002 -8.454 -8.361 571 HG LEU 67 HG LEU 67 8.277 -8.438 -5.958 572 HD11 LEU 67 1HD1 LEU 67 9.201 -6.545 -4.948 573 HD12 LEU 67 2HD1 LEU 67 10.268 -6.224 -6.315 574 HD13 LEU 67 3HD1 LEU 67 10.586 -7.593 -5.251 575 HD21 LEU 67 1HD2 LEU 67 8.422 -6.009 -7.487 576 HD22 LEU 67 2HD2 LEU 67 7.069 -7.116 -7.269 577 HD23 LEU 67 3HD2 LEU 67 8.236 -7.397 -8.559 578 H6 HTS 101 H6 HTS 68 7.788 3.568 3.533 579 H3 HTS 101 H3 HTS 68 7.790 -0.563 0.845 580 H4 HTS 101 H4 HTS 68 9.906 0.618 1.285 581 H5 HTS 101 H5 HTS 68 9.905 2.681 2.636 582 HO1 HTS 101 HO1 HTS 68 5.237 3.342 2.822 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -17.261 0.033 13.915 2 H2 GLY 1 2H GLY 1 -18.790 0.249 13.227 3 H3 GLY 1 3H GLY 1 -17.642 1.488 13.141 4 HA2 GLY 1 1HA GLY 1 -17.998 -0.806 11.450 5 HA3 GLY 1 2HA GLY 1 -17.174 0.711 11.119 6 H SER 2 H SER 2 -15.019 0.961 12.267 7 HA SER 2 HA SER 2 -12.870 0.269 12.539 8 HB2 SER 2 2HB SER 2 -14.309 -1.272 14.236 9 HB3 SER 2 1HB SER 2 -13.593 -2.522 13.218 10 HG SER 2 HG SER 2 -11.686 -2.094 14.025 11 H ARG 3 H ARG 3 -13.812 0.193 9.957 12 HA ARG 3 HA ARG 3 -12.806 -2.323 8.832 13 HB2 ARG 3 2HB ARG 3 -15.042 -1.512 8.104 14 HB3 ARG 3 1HB ARG 3 -14.275 -0.073 7.447 15 HG2 ARG 3 2HG ARG 3 -12.854 -2.146 6.302 16 HG3 ARG 3 1HG ARG 3 -14.520 -2.730 6.318 17 HD2 ARG 3 2HD ARG 3 -13.928 0.045 5.383 18 HD3 ARG 3 1HD ARG 3 -13.641 -1.320 4.304 19 HE ARG 3 HE ARG 3 -16.193 -1.658 5.275 20 HH11 ARG 3 1HH1 ARG 3 -14.487 0.784 3.458 21 HH12 ARG 3 2HH1 ARG 3 -15.898 1.313 2.604 22 HH21 ARG 3 1HH2 ARG 3 -18.050 -0.964 4.151 23 HH22 ARG 3 2HH2 ARG 3 -17.920 0.321 2.998 24 H VAL 4 H VAL 4 -12.545 1.189 8.267 25 HA VAL 4 HA VAL 4 -10.335 1.010 6.520 26 HB VAL 4 HB VAL 4 -11.780 2.993 6.616 27 HG11 VAL 4 1HG1 VAL 4 -11.601 2.811 9.307 28 HG12 VAL 4 2HG1 VAL 4 -12.129 4.256 8.445 29 HG13 VAL 4 3HG1 VAL 4 -10.458 4.117 8.990 30 HG21 VAL 4 1HG2 VAL 4 -9.122 2.938 6.134 31 HG22 VAL 4 2HG2 VAL 4 -9.196 4.173 7.391 32 HG23 VAL 4 3HG2 VAL 4 -10.136 4.364 5.910 33 H LYS 5 H LYS 5 -10.602 1.107 9.995 34 HA LYS 5 HA LYS 5 -8.030 1.924 10.691 35 HB2 LYS 5 2HB LYS 5 -10.043 0.136 12.019 36 HB3 LYS 5 1HB LYS 5 -8.457 0.384 12.738 37 HG2 LYS 5 2HG LYS 5 -9.076 2.923 12.394 38 HG3 LYS 5 1HG LYS 5 -10.720 2.281 12.426 39 HD2 LYS 5 2HD LYS 5 -8.930 1.275 14.536 40 HD3 LYS 5 1HD LYS 5 -9.317 2.993 14.630 41 HE2 LYS 5 2HE LYS 5 -11.758 1.886 14.105 42 HE3 LYS 5 1HE LYS 5 -11.005 0.647 15.107 43 HZ1 LYS 5 1HZ LYS 5 -10.747 3.392 16.036 44 HZ2 LYS 5 2HZ LYS 5 -11.023 1.974 16.914 45 HZ3 LYS 5 3HZ LYS 5 -12.301 2.728 16.105 46 H ALA 6 H ALA 6 -9.232 -1.210 9.661 47 HA ALA 6 HA ALA 6 -6.796 -2.608 10.241 48 HB1 ALA 6 1HB ALA 6 -8.524 -4.092 10.267 49 HB2 ALA 6 2HB ALA 6 -7.998 -4.303 8.597 50 HB3 ALA 6 3HB ALA 6 -9.388 -3.281 8.962 51 H LEU 7 H LEU 7 -8.053 -0.798 7.564 52 HA LEU 7 HA LEU 7 -6.477 -1.876 5.495 53 HB2 LEU 7 2HB LEU 7 -8.481 -0.110 5.560 54 HB3 LEU 7 1HB LEU 7 -7.143 1.019 5.471 55 HG LEU 7 HG LEU 7 -7.809 -1.138 3.471 56 HD11 LEU 7 1HD1 LEU 7 -7.814 1.866 3.233 57 HD12 LEU 7 2HD1 LEU 7 -9.246 0.849 3.389 58 HD13 LEU 7 3HD1 LEU 7 -8.219 0.715 1.961 59 HD21 LEU 7 1HD2 LEU 7 -5.941 0.076 2.177 60 HD22 LEU 7 2HD2 LEU 7 -5.483 -1.082 3.426 61 HD23 LEU 7 3HD2 LEU 7 -5.422 0.648 3.764 62 H GLU 8 H GLU 8 -5.764 0.361 8.054 63 HA GLU 8 HA GLU 8 -3.400 1.452 6.867 64 HB2 GLU 8 2HB GLU 8 -4.578 1.510 9.630 65 HB3 GLU 8 1HB GLU 8 -2.975 2.159 9.317 66 HG2 GLU 8 2HG GLU 8 -3.862 3.759 7.768 67 HG3 GLU 8 1HG GLU 8 -5.467 3.037 7.879 68 H GLU 9 H GLU 9 -4.118 -1.276 8.946 69 HA GLU 9 HA GLU 9 -1.377 -1.789 9.623 70 HB2 GLU 9 2HB GLU 9 -2.188 -3.778 10.707 71 HB3 GLU 9 1HB GLU 9 -3.287 -2.456 11.070 72 HG2 GLU 9 2HG GLU 9 -5.008 -3.400 9.967 73 HG3 GLU 9 1HG GLU 9 -3.976 -4.101 8.724 74 H LYS 10 H LYS 10 -3.411 -2.535 6.960 75 HA LYS 10 HA LYS 10 -2.147 -4.919 6.091 76 HB2 LYS 10 2HB LYS 10 -4.277 -3.231 5.223 77 HB3 LYS 10 1HB LYS 10 -3.197 -3.490 3.861 78 HG2 LYS 10 2HG LYS 10 -3.355 -5.994 4.583 79 HG3 LYS 10 1HG LYS 10 -4.832 -5.459 5.386 80 HD2 LYS 10 2HD LYS 10 -5.120 -4.305 2.947 81 HD3 LYS 10 1HD LYS 10 -4.240 -5.775 2.523 82 HE2 LYS 10 2HE LYS 10 -5.918 -7.132 3.632 83 HE3 LYS 10 1HE LYS 10 -6.772 -5.683 4.160 84 HZ1 LYS 10 1HZ LYS 10 -6.302 -5.946 1.298 85 HZ2 LYS 10 2HZ LYS 10 -7.654 -5.350 2.124 86 HZ3 LYS 10 3HZ LYS 10 -7.421 -7.019 1.975 87 H VAL 11 H VAL 11 -1.806 -1.531 5.061 88 HA VAL 11 HA VAL 11 0.333 -2.073 3.261 89 HB VAL 11 HB VAL 11 -0.312 0.606 4.486 90 HG11 VAL 11 1HG1 VAL 11 1.474 1.159 3.251 91 HG12 VAL 11 2HG1 VAL 11 0.381 1.008 1.875 92 HG13 VAL 11 3HG1 VAL 11 1.419 -0.344 2.329 93 HG21 VAL 11 1HG2 VAL 11 -1.927 -1.046 2.738 94 HG22 VAL 11 2HG2 VAL 11 -1.533 0.506 1.998 95 HG23 VAL 11 3HG2 VAL 11 -2.336 0.454 3.568 96 H LYS 12 H LYS 12 0.139 -1.294 6.626 97 HA LYS 12 HA LYS 12 2.749 -0.371 7.066 98 HB2 LYS 12 2HB LYS 12 0.740 -0.379 8.676 99 HB3 LYS 12 1HB LYS 12 1.216 -2.027 9.060 100 HG2 LYS 12 2HG LYS 12 3.154 -1.370 10.108 101 HG3 LYS 12 1HG LYS 12 3.240 0.155 9.224 102 HD2 LYS 12 2HD LYS 12 2.599 0.842 11.341 103 HD3 LYS 12 1HD LYS 12 1.053 0.726 10.499 104 HE2 LYS 12 2HE LYS 12 1.219 -1.771 11.445 105 HE3 LYS 12 1HE LYS 12 2.169 -0.942 12.677 106 HZ1 LYS 12 1HZ LYS 12 -0.675 -0.615 11.996 107 HZ2 LYS 12 2HZ LYS 12 0.167 0.675 12.696 108 HZ3 LYS 12 3HZ LYS 12 0.049 -0.799 13.515 109 H ALA 13 H ALA 13 1.406 -3.605 6.849 110 HA ALA 13 HA ALA 13 3.893 -4.887 7.599 111 HB1 ALA 13 1HB ALA 13 1.149 -5.760 6.946 112 HB2 ALA 13 2HB ALA 13 2.262 -6.343 8.186 113 HB3 ALA 13 3HB ALA 13 2.438 -6.885 6.516 114 H LEU 14 H LEU 14 2.304 -3.753 4.789 115 HA LEU 14 HA LEU 14 3.574 -5.279 2.793 116 HB2 LEU 14 2HB LEU 14 1.520 -3.673 2.760 117 HB3 LEU 14 1HB LEU 14 2.705 -2.436 2.416 118 HG LEU 14 HG LEU 14 2.670 -4.894 0.721 119 HD11 LEU 14 1HD1 LEU 14 0.803 -4.348 -0.464 120 HD12 LEU 14 2HD1 LEU 14 0.910 -2.635 -0.057 121 HD13 LEU 14 3HD1 LEU 14 0.302 -3.787 1.132 122 HD21 LEU 14 1HD2 LEU 14 4.301 -2.859 0.629 123 HD22 LEU 14 2HD2 LEU 14 2.963 -2.075 -0.211 124 HD23 LEU 14 3HD2 LEU 14 3.669 -3.555 -0.863 125 H GLU 15 H GLU 15 4.587 -2.580 4.708 126 HA GLU 15 HA GLU 15 6.705 -1.725 2.980 127 HB2 GLU 15 2HB GLU 15 5.725 -0.088 4.412 128 HB3 GLU 15 1HB GLU 15 5.959 -1.090 5.835 129 HG2 GLU 15 2HG GLU 15 8.410 -0.828 5.546 130 HG3 GLU 15 1HG GLU 15 8.089 0.285 4.218 131 H GLU 16 H GLU 16 6.527 -3.536 6.032 132 HA GLU 16 HA GLU 16 9.185 -3.930 6.563 133 HB2 GLU 16 2HB GLU 16 7.027 -6.026 6.851 134 HB3 GLU 16 1HB GLU 16 8.546 -5.966 7.734 135 HG2 GLU 16 2HG GLU 16 6.977 -3.527 7.989 136 HG3 GLU 16 1HG GLU 16 6.144 -4.962 8.587 137 H LYS 17 H LYS 17 7.269 -5.401 4.049 138 HA LYS 17 HA LYS 17 9.155 -7.467 3.428 139 HB2 LYS 17 2HB LYS 17 6.667 -7.514 2.932 140 HB3 LYS 17 1HB LYS 17 6.993 -6.390 1.620 141 HG2 LYS 17 2HG LYS 17 6.888 -8.568 0.688 142 HG3 LYS 17 1HG LYS 17 8.582 -8.076 0.682 143 HD2 LYS 17 2HD LYS 17 8.936 -10.091 1.617 144 HD3 LYS 17 1HD LYS 17 8.395 -9.303 3.100 145 HE2 LYS 17 2HE LYS 17 6.281 -10.243 2.982 146 HE3 LYS 17 1HE LYS 17 6.401 -10.540 1.249 147 HZ1 LYS 17 1HZ LYS 17 6.786 -12.631 1.939 148 HZ2 LYS 17 2HZ LYS 17 7.322 -12.161 3.472 149 HZ3 LYS 17 3HZ LYS 17 8.371 -12.080 2.151 150 H VAL 18 H VAL 18 8.425 -4.254 2.154 151 HA VAL 18 HA VAL 18 10.327 -4.449 0.011 152 HB VAL 18 HB VAL 18 9.151 -1.909 1.095 153 HG11 VAL 18 1HG1 VAL 18 11.016 -1.860 -0.599 154 HG12 VAL 18 2HG1 VAL 18 9.538 -1.016 -1.062 155 HG13 VAL 18 3HG1 VAL 18 9.892 -2.608 -1.734 156 HG21 VAL 18 1HG2 VAL 18 7.312 -3.465 0.736 157 HG22 VAL 18 2HG2 VAL 18 7.904 -3.810 -0.889 158 HG23 VAL 18 3HG2 VAL 18 7.299 -2.201 -0.493 159 H LYS 19 H LYS 19 10.172 -2.363 2.906 160 HA LYS 19 HA LYS 19 12.684 -1.261 2.739 161 HB2 LYS 19 2HB LYS 19 10.929 -1.913 5.083 162 HB3 LYS 19 1HB LYS 19 12.515 -1.195 5.327 163 HG2 LYS 19 2HG LYS 19 11.353 0.374 3.361 164 HG3 LYS 19 1HG LYS 19 10.040 0.030 4.484 165 HD2 LYS 19 2HD LYS 19 10.926 1.889 5.478 166 HD3 LYS 19 1HD LYS 19 11.873 0.636 6.282 167 HE2 LYS 19 2HE LYS 19 13.110 1.403 3.798 168 HE3 LYS 19 1HE LYS 19 12.826 2.819 4.809 169 HZ1 LYS 19 1HZ LYS 19 14.115 0.368 5.854 170 HZ2 LYS 19 2HZ LYS 19 14.104 1.915 6.536 171 HZ3 LYS 19 3HZ LYS 19 15.002 1.617 5.135 172 H ALA 20 H ALA 20 11.836 -4.500 3.569 173 HA ALA 20 HA ALA 20 14.395 -5.072 4.812 174 HB1 ALA 20 1HB ALA 20 12.406 -6.140 5.710 175 HB2 ALA 20 2HB ALA 20 13.517 -7.348 5.064 176 HB3 ALA 20 3HB ALA 20 12.082 -6.889 4.146 177 H LEU 21 H LEU 21 13.021 -5.113 1.673 178 HA LEU 21 HA LEU 21 15.052 -6.983 0.693 179 HB2 LEU 21 2HB LEU 21 13.758 -7.306 -1.213 180 HB3 LEU 21 1HB LEU 21 12.570 -7.149 0.065 181 HG LEU 21 HG LEU 21 12.481 -4.650 -0.669 182 HD11 LEU 21 1HD1 LEU 21 12.779 -4.786 -3.300 183 HD12 LEU 21 2HD1 LEU 21 14.033 -5.935 -2.834 184 HD13 LEU 21 3HD1 LEU 21 14.082 -4.280 -2.227 185 HD21 LEU 21 1HD2 LEU 21 11.323 -6.847 -2.376 186 HD22 LEU 21 2HD2 LEU 21 10.733 -5.187 -2.281 187 HD23 LEU 21 3HD2 LEU 21 10.638 -6.238 -0.868 188 H GLY 22 H GLY 22 15.917 -6.339 -1.580 189 HA2 GLY 22 2HA GLY 22 16.437 -3.459 -1.751 190 HA3 GLY 22 1HA GLY 22 17.815 -4.533 -1.569 191 H GLY 23 H GLY 23 17.138 -2.723 -3.772 192 HA2 GLY 23 2HA GLY 23 18.080 -3.902 -5.957 193 HA3 GLY 23 1HA GLY 23 16.433 -4.518 -5.960 194 H GLY 24 H GLY 24 16.542 -3.360 -8.106 195 HA2 GLY 24 2HA GLY 24 15.442 -0.667 -7.719 196 HA3 GLY 24 1HA GLY 24 16.789 -0.860 -8.831 197 H GLY 25 H GLY 25 14.479 0.202 -9.777 198 HA2 GLY 25 2HA GLY 25 13.309 -0.083 -11.776 199 HA3 GLY 25 1HA GLY 25 13.717 -1.792 -11.744 200 H ARG 26 H ARG 26 12.307 -3.241 -10.863 201 HA ARG 26 HA ARG 26 9.596 -2.656 -10.781 202 HB2 ARG 26 2HB ARG 26 11.093 -4.935 -10.660 203 HB3 ARG 26 1HB ARG 26 10.456 -4.864 -9.026 204 HG2 ARG 26 2HG ARG 26 9.022 -5.249 -11.608 205 HG3 ARG 26 1HG ARG 26 8.882 -6.145 -10.096 206 HD2 ARG 26 2HD ARG 26 7.069 -4.962 -9.620 207 HD3 ARG 26 1HD ARG 26 8.070 -3.520 -9.517 208 HE ARG 26 HE ARG 26 6.677 -4.427 -11.952 209 HH11 ARG 26 1HH1 ARG 26 8.000 -1.856 -9.978 210 HH12 ARG 26 2HH1 ARG 26 7.463 -0.606 -11.045 211 HH21 ARG 26 1HH2 ARG 26 5.974 -2.775 -13.338 212 HH22 ARG 26 2HH2 ARG 26 6.313 -1.122 -12.944 213 H ILE 27 H ILE 27 11.638 -3.432 -7.974 214 HA ILE 27 HA ILE 27 9.817 -2.780 -5.991 215 HB ILE 27 HB ILE 27 12.812 -2.461 -5.791 216 HG12 ILE 27 2HG1 ILE 27 11.536 -4.931 -4.809 217 HG13 ILE 27 1HG1 ILE 27 11.526 -4.745 -6.559 218 HG21 ILE 27 1HG2 ILE 27 10.840 -3.167 -3.630 219 HG22 ILE 27 2HG2 ILE 27 11.388 -1.521 -3.947 220 HG23 ILE 27 3HG2 ILE 27 12.546 -2.755 -3.450 221 HD11 ILE 27 1HD1 ILE 27 14.117 -4.093 -5.554 222 HD12 ILE 27 2HD1 ILE 27 13.638 -5.376 -6.666 223 HD13 ILE 27 3HD1 ILE 27 13.612 -5.663 -4.927 224 H GLU 28 H GLU 28 11.870 -0.685 -7.884 225 HA GLU 28 HA GLU 28 11.968 1.579 -6.295 226 HB2 GLU 28 2HB GLU 28 12.627 0.917 -8.934 227 HB3 GLU 28 1HB GLU 28 11.540 2.294 -9.067 228 HG2 GLU 28 2HG GLU 28 13.845 2.348 -7.165 229 HG3 GLU 28 1HG GLU 28 14.074 2.704 -8.876 230 H GLU 29 H GLU 29 9.533 0.891 -8.826 231 HA GLU 29 HA GLU 29 7.921 3.123 -8.327 232 HB2 GLU 29 2HB GLU 29 7.685 1.790 -10.351 233 HB3 GLU 29 1HB GLU 29 7.157 0.404 -9.407 234 HG2 GLU 29 2HG GLU 29 5.051 1.089 -9.448 235 HG3 GLU 29 1HG GLU 29 5.500 2.687 -8.852 236 H LEU 30 H LEU 30 7.859 -0.119 -6.955 237 HA LEU 30 HA LEU 30 5.487 0.066 -5.502 238 HB2 LEU 30 2HB LEU 30 8.006 -1.504 -5.002 239 HB3 LEU 30 1HB LEU 30 6.557 -1.691 -4.032 240 HG LEU 30 HG LEU 30 6.121 -1.948 -6.929 241 HD11 LEU 30 1HD1 LEU 30 6.972 -4.424 -6.610 242 HD12 LEU 30 2HD1 LEU 30 8.085 -3.645 -5.485 243 HD13 LEU 30 3HD1 LEU 30 8.044 -3.144 -7.176 244 HD21 LEU 30 1HD2 LEU 30 4.267 -2.735 -5.972 245 HD22 LEU 30 2HD2 LEU 30 5.055 -2.935 -4.406 246 HD23 LEU 30 3HD2 LEU 30 5.196 -4.194 -5.634 247 H LYS 31 H LYS 31 8.539 1.557 -4.940 248 HA LYS 31 HA LYS 31 8.225 1.905 -2.114 249 HB2 LYS 31 2HB LYS 31 10.439 1.832 -3.152 250 HB3 LYS 31 1HB LYS 31 10.069 3.286 -4.069 251 HG2 LYS 31 2HG LYS 31 10.502 4.640 -2.341 252 HG3 LYS 31 1HG LYS 31 9.733 3.565 -1.174 253 HD2 LYS 31 2HD LYS 31 11.667 2.507 -0.677 254 HD3 LYS 31 1HD LYS 31 12.256 2.584 -2.339 255 HE2 LYS 31 2HE LYS 31 12.081 5.195 -1.046 256 HE3 LYS 31 1HE LYS 31 13.181 4.085 -0.231 257 HZ1 LYS 31 1HZ LYS 31 14.613 4.872 -1.758 258 HZ2 LYS 31 2HZ LYS 31 13.401 5.324 -2.848 259 HZ3 LYS 31 3HZ LYS 31 13.899 3.710 -2.759 260 H LYS 32 H LYS 32 8.204 4.263 -4.806 261 HA LYS 32 HA LYS 32 7.439 6.488 -3.377 262 HB2 LYS 32 2HB LYS 32 7.135 5.645 -6.213 263 HB3 LYS 32 1HB LYS 32 6.220 7.048 -5.679 264 HG2 LYS 32 2HG LYS 32 8.132 8.044 -6.429 265 HG3 LYS 32 1HG LYS 32 8.536 7.814 -4.727 266 HD2 LYS 32 2HD LYS 32 10.433 7.045 -5.834 267 HD3 LYS 32 1HD LYS 32 9.535 5.564 -5.501 268 HE2 LYS 32 2HE LYS 32 10.419 5.610 -7.791 269 HE3 LYS 32 1HE LYS 32 8.657 5.558 -7.763 270 HZ1 LYS 32 1HZ LYS 32 9.838 8.208 -7.845 271 HZ2 LYS 32 2HZ LYS 32 8.497 7.593 -8.671 272 HZ3 LYS 32 3HZ LYS 32 10.057 7.271 -9.237 273 H LYS 33 H LYS 33 5.223 4.400 -5.221 274 HA LYS 33 HA LYS 33 2.862 5.594 -4.310 275 HB2 LYS 33 2HB LYS 33 3.200 4.012 -6.290 276 HB3 LYS 33 1HB LYS 33 3.075 2.705 -5.123 277 HG2 LYS 33 2HG LYS 33 0.844 3.476 -4.494 278 HG3 LYS 33 1HG LYS 33 0.970 4.789 -5.666 279 HD2 LYS 33 2HD LYS 33 -0.114 3.302 -6.988 280 HD3 LYS 33 1HD LYS 33 1.527 2.719 -7.271 281 HE2 LYS 33 2HE LYS 33 0.604 1.466 -4.918 282 HE3 LYS 33 1HE LYS 33 -0.699 1.355 -6.100 283 HZ1 LYS 33 1HZ LYS 33 1.966 0.163 -6.154 284 HZ2 LYS 33 2HZ LYS 33 1.312 0.657 -7.634 285 HZ3 LYS 33 3HZ LYS 33 0.486 -0.469 -6.680 286 H CYS 34 H CYS 34 4.932 3.267 -2.799 287 HA CYS 34 HA CYS 34 3.135 2.004 -1.068 288 HB2 CYS 34 2HB CYS 34 5.938 2.076 -1.463 289 HB3 CYS 34 1HB CYS 34 5.664 2.385 0.243 290 H GLU 35 H GLU 35 5.291 4.764 -0.293 291 HA GLU 35 HA GLU 35 4.149 5.181 2.252 292 HB2 GLU 35 2HB GLU 35 5.371 7.397 2.135 293 HB3 GLU 35 1HB GLU 35 6.355 5.950 1.960 294 HG2 GLU 35 2HG GLU 35 7.068 6.582 -0.035 295 HG3 GLU 35 1HG GLU 35 5.422 6.870 -0.593 296 H GLU 36 H GLU 36 3.817 7.106 -0.740 297 HA GLU 36 HA GLU 36 2.087 9.025 0.147 298 HB2 GLU 36 2HB GLU 36 1.356 9.299 -2.141 299 HB3 GLU 36 1HB GLU 36 3.077 8.940 -2.121 300 HG2 GLU 36 2HG GLU 36 2.595 7.441 -3.689 301 HG3 GLU 36 1HG GLU 36 1.990 6.453 -2.359 302 H LEU 37 H LEU 37 1.432 5.687 -0.475 303 HA LEU 37 HA LEU 37 -1.390 5.831 -0.643 304 HB2 LEU 37 2HB LEU 37 -0.348 3.919 -1.543 305 HB3 LEU 37 1HB LEU 37 0.570 3.627 -0.082 306 HG LEU 37 HG LEU 37 -1.347 2.796 1.065 307 HD11 LEU 37 1HD1 LEU 37 -3.090 3.276 -1.324 308 HD12 LEU 37 2HD1 LEU 37 -2.895 4.511 -0.081 309 HD13 LEU 37 3HD1 LEU 37 -3.555 2.932 0.341 310 HD21 LEU 37 1HD2 LEU 37 -1.896 1.496 -1.513 311 HD22 LEU 37 2HD2 LEU 37 -1.409 0.801 0.032 312 HD23 LEU 37 3HD2 LEU 37 -0.202 1.530 -1.026 313 H LYS 38 H LYS 38 0.847 5.251 2.043 314 HA LYS 38 HA LYS 38 -1.082 4.609 3.982 315 HB2 LYS 38 2HB LYS 38 1.759 5.324 3.943 316 HB3 LYS 38 1HB LYS 38 0.932 5.811 5.417 317 HG2 LYS 38 2HG LYS 38 0.131 3.161 4.807 318 HG3 LYS 38 1HG LYS 38 1.890 3.246 4.681 319 HD2 LYS 38 2HD LYS 38 0.688 4.589 7.020 320 HD3 LYS 38 1HD LYS 38 0.578 2.828 6.996 321 HE2 LYS 38 2HE LYS 38 3.034 2.752 6.576 322 HE3 LYS 38 1HE LYS 38 3.079 4.500 6.798 323 HZ1 LYS 38 1HZ LYS 38 3.657 3.151 8.803 324 HZ2 LYS 38 2HZ LYS 38 2.047 2.635 8.858 325 HZ3 LYS 38 3HZ LYS 38 2.415 4.275 9.041 326 H LYS 39 H LYS 39 0.617 7.710 3.504 327 HA LYS 39 HA LYS 39 -0.744 9.223 5.356 328 HB2 LYS 39 2HB LYS 39 -0.079 11.182 4.048 329 HB3 LYS 39 1HB LYS 39 1.234 10.021 4.166 330 HG2 LYS 39 2HG LYS 39 0.486 9.174 1.890 331 HG3 LYS 39 1HG LYS 39 -0.500 10.635 1.798 332 HD2 LYS 39 2HD LYS 39 1.727 11.843 2.412 333 HD3 LYS 39 1HD LYS 39 2.477 10.353 1.838 334 HE2 LYS 39 2HE LYS 39 0.805 10.773 -0.193 335 HE3 LYS 39 1HE LYS 39 0.997 12.442 0.341 336 HZ1 LYS 39 1HZ LYS 39 2.612 11.779 -1.372 337 HZ2 LYS 39 2HZ LYS 39 3.244 10.617 -0.319 338 HZ3 LYS 39 3HZ LYS 39 3.361 12.259 0.068 339 H LYS 40 H LYS 40 -1.820 8.138 2.230 340 HA LYS 40 HA LYS 40 -3.942 9.990 1.898 341 HB2 LYS 40 2HB LYS 40 -2.888 8.474 0.130 342 HB3 LYS 40 1HB LYS 40 -3.893 7.189 0.787 343 HG2 LYS 40 2HG LYS 40 -5.767 7.992 -0.152 344 HG3 LYS 40 1HG LYS 40 -5.316 9.674 0.137 345 HD2 LYS 40 2HD LYS 40 -3.562 9.281 -1.720 346 HD3 LYS 40 1HD LYS 40 -4.545 7.873 -2.132 347 HE2 LYS 40 2HE LYS 40 -6.343 9.152 -2.789 348 HE3 LYS 40 1HE LYS 40 -5.871 10.521 -1.783 349 HZ1 LYS 40 1HZ LYS 40 -4.223 11.149 -3.306 350 HZ2 LYS 40 2HZ LYS 40 -5.572 10.783 -4.258 351 HZ3 LYS 40 3HZ LYS 40 -4.295 9.680 -4.143 352 H ILE 41 H ILE 41 -3.615 7.008 3.675 353 HA ILE 41 HA ILE 41 -6.427 6.591 4.050 354 HB ILE 41 HB ILE 41 -4.269 5.491 5.839 355 HG12 ILE 41 2HG1 ILE 41 -5.135 4.467 3.124 356 HG13 ILE 41 1HG1 ILE 41 -3.539 5.071 3.554 357 HG21 ILE 41 1HG2 ILE 41 -6.081 4.593 6.783 358 HG22 ILE 41 2HG2 ILE 41 -6.160 3.547 5.366 359 HG23 ILE 41 3HG2 ILE 41 -7.113 5.029 5.422 360 HD11 ILE 41 1HD1 ILE 41 -3.145 3.196 4.982 361 HD12 ILE 41 2HD1 ILE 41 -3.686 2.605 3.410 362 HD13 ILE 41 3HD1 ILE 41 -4.804 2.633 4.773 363 H GLU 42 H GLU 42 -3.876 8.280 5.748 364 HA GLU 42 HA GLU 42 -5.271 8.684 8.183 365 HB2 GLU 42 2HB GLU 42 -2.783 9.614 6.952 366 HB3 GLU 42 1HB GLU 42 -3.545 10.829 7.969 367 HG2 GLU 42 2HG GLU 42 -3.467 8.190 9.197 368 HG3 GLU 42 1HG GLU 42 -1.871 8.838 8.819 369 H GLU 43 H GLU 43 -5.223 10.331 5.107 370 HA GLU 43 HA GLU 43 -6.586 12.677 6.035 371 HB2 GLU 43 2HB GLU 43 -6.608 13.379 3.767 372 HB3 GLU 43 1HB GLU 43 -5.068 12.573 4.017 373 HG2 GLU 43 2HG GLU 43 -5.494 11.058 2.454 374 HG3 GLU 43 1HG GLU 43 -7.117 10.755 3.063 375 H LEU 44 H LEU 44 -7.474 9.577 4.764 376 HA LEU 44 HA LEU 44 -10.110 10.101 3.971 377 HB2 LEU 44 2HB LEU 44 -8.524 7.706 4.695 378 HB3 LEU 44 1HB LEU 44 -10.266 7.531 4.765 379 HG LEU 44 HG LEU 44 -8.792 8.512 2.324 380 HD11 LEU 44 1HD1 LEU 44 -9.546 6.118 1.549 381 HD12 LEU 44 2HD1 LEU 44 -9.424 5.764 3.273 382 HD13 LEU 44 3HD1 LEU 44 -8.017 6.362 2.394 383 HD21 LEU 44 1HD2 LEU 44 -11.614 8.053 3.041 384 HD22 LEU 44 2HD2 LEU 44 -11.114 7.457 1.458 385 HD23 LEU 44 3HD2 LEU 44 -10.904 9.160 1.865 386 H GLY 45 H GLY 45 -12.099 9.414 5.056 387 HA2 GLY 45 2HA GLY 45 -11.950 9.403 7.987 388 HA3 GLY 45 1HA GLY 45 -12.919 10.642 7.202 389 H GLY 46 H GLY 46 -12.584 7.287 6.161 390 HA2 GLY 46 2HA GLY 46 -14.108 5.569 6.054 391 HA3 GLY 46 1HA GLY 46 -14.979 6.352 7.364 392 H GLY 47 H GLY 47 -16.004 5.007 4.964 393 HA2 GLY 47 2HA GLY 47 -18.267 6.022 4.297 394 HA3 GLY 47 1HA GLY 47 -17.269 7.274 3.572 395 H GLY 48 H GLY 48 -17.807 6.950 1.455 396 HA2 GLY 48 2HA GLY 48 -17.553 4.254 0.343 397 HA3 GLY 48 1HA GLY 48 -18.249 5.649 -0.470 398 H GLU 49 H GLU 49 -16.085 7.448 0.077 399 HA GLU 49 HA GLU 49 -14.468 6.983 -2.154 400 HB2 GLU 49 2HB GLU 49 -14.920 9.179 -0.904 401 HB3 GLU 49 1HB GLU 49 -13.625 8.687 0.180 402 HG2 GLU 49 2HG GLU 49 -12.142 9.529 -1.220 403 HG3 GLU 49 1HG GLU 49 -12.665 8.389 -2.457 404 H VAL 50 H VAL 50 -14.148 5.945 1.145 405 HA VAL 50 HA VAL 50 -11.421 5.442 1.317 406 HB VAL 50 HB VAL 50 -13.575 3.682 2.489 407 HG11 VAL 50 1HG1 VAL 50 -11.343 2.764 2.700 408 HG12 VAL 50 2HG1 VAL 50 -11.914 3.322 4.272 409 HG13 VAL 50 3HG1 VAL 50 -10.752 4.287 3.362 410 HG21 VAL 50 1HG2 VAL 50 -14.305 5.579 3.447 411 HG22 VAL 50 2HG2 VAL 50 -12.823 6.459 3.073 412 HG23 VAL 50 3HG2 VAL 50 -12.887 5.398 4.481 413 H LYS 51 H LYS 51 -13.884 3.755 -0.459 414 HA LYS 51 HA LYS 51 -12.612 1.268 -0.772 415 HB2 LYS 51 2HB LYS 51 -14.453 2.648 -2.731 416 HB3 LYS 51 1HB LYS 51 -14.110 0.925 -2.655 417 HG2 LYS 51 2HG LYS 51 -15.422 2.481 -0.439 418 HG3 LYS 51 1HG LYS 51 -16.299 1.586 -1.683 419 HD2 LYS 51 2HD LYS 51 -14.333 -0.148 -0.602 420 HD3 LYS 51 1HD LYS 51 -15.164 0.623 0.750 421 HE2 LYS 51 2HE LYS 51 -17.129 -0.403 0.302 422 HE3 LYS 51 1HE LYS 51 -16.883 -0.345 -1.443 423 HZ1 LYS 51 1HZ LYS 51 -15.623 -2.269 -1.412 424 HZ2 LYS 51 2HZ LYS 51 -16.824 -2.607 -0.271 425 HZ3 LYS 51 3HZ LYS 51 -15.276 -2.158 0.240 426 H LYS 52 H LYS 52 -12.214 4.331 -2.415 427 HA LYS 52 HA LYS 52 -10.839 3.457 -4.692 428 HB2 LYS 52 2HB LYS 52 -11.642 5.709 -4.598 429 HB3 LYS 52 1HB LYS 52 -10.710 6.046 -3.146 430 HG2 LYS 52 2HG LYS 52 -8.681 6.089 -4.332 431 HG3 LYS 52 1HG LYS 52 -9.407 5.344 -5.758 432 HD2 LYS 52 2HD LYS 52 -10.883 7.405 -5.901 433 HD3 LYS 52 1HD LYS 52 -9.812 8.133 -4.703 434 HE2 LYS 52 2HE LYS 52 -9.306 8.642 -7.136 435 HE3 LYS 52 1HE LYS 52 -7.962 8.057 -6.156 436 HZ1 LYS 52 1HZ LYS 52 -8.292 7.043 -8.453 437 HZ2 LYS 52 2HZ LYS 52 -9.597 6.206 -7.778 438 HZ3 LYS 52 3HZ LYS 52 -8.038 5.977 -7.164 439 H VAL 53 H VAL 53 -9.483 4.757 -1.658 440 HA VAL 53 HA VAL 53 -6.800 4.277 -2.240 441 HB VAL 53 HB VAL 53 -8.031 4.147 0.514 442 HG11 VAL 53 1HG1 VAL 53 -5.655 5.367 0.822 443 HG12 VAL 53 2HG1 VAL 53 -5.284 4.317 -0.546 444 HG13 VAL 53 3HG1 VAL 53 -5.880 3.624 0.962 445 HG21 VAL 53 1HG2 VAL 53 -8.837 6.171 -0.321 446 HG22 VAL 53 2HG2 VAL 53 -7.365 6.487 -1.239 447 HG23 VAL 53 3HG2 VAL 53 -7.356 6.628 0.518 448 H GLU 54 H GLU 54 -9.301 2.092 -1.228 449 HA GLU 54 HA GLU 54 -7.666 0.030 -0.194 450 HB2 GLU 54 2HB GLU 54 -10.191 0.299 0.056 451 HB3 GLU 54 1HB GLU 54 -10.322 -0.372 -1.564 452 HG2 GLU 54 2HG GLU 54 -9.257 -2.421 -0.833 453 HG3 GLU 54 1HG GLU 54 -9.036 -1.749 0.782 454 H GLU 55 H GLU 55 -8.674 0.907 -3.424 455 HA GLU 55 HA GLU 55 -7.748 -1.520 -4.648 456 HB2 GLU 55 2HB GLU 55 -9.560 -0.214 -5.653 457 HB3 GLU 55 1HB GLU 55 -8.474 1.152 -5.864 458 HG2 GLU 55 2HG GLU 55 -7.495 -1.318 -7.070 459 HG3 GLU 55 1HG GLU 55 -9.025 -0.752 -7.740 460 H GLU 56 H GLU 56 -6.400 1.577 -3.850 461 HA GLU 56 HA GLU 56 -4.162 1.485 -5.598 462 HB2 GLU 56 2HB GLU 56 -4.925 3.088 -3.192 463 HB3 GLU 56 1HB GLU 56 -3.264 3.148 -3.762 464 HG2 GLU 56 2HG GLU 56 -3.788 4.354 -5.585 465 HG3 GLU 56 1HG GLU 56 -5.325 3.523 -5.825 466 H VAL 57 H VAL 57 -4.841 0.159 -2.455 467 HA VAL 57 HA VAL 57 -2.078 -0.457 -1.869 468 HB VAL 57 HB VAL 57 -4.530 -1.506 -0.456 469 HG11 VAL 57 1HG1 VAL 57 -1.747 -1.080 0.610 470 HG12 VAL 57 2HG1 VAL 57 -2.313 -2.612 -0.054 471 HG13 VAL 57 3HG1 VAL 57 -3.083 -1.935 1.380 472 HG21 VAL 57 1HG2 VAL 57 -4.894 0.476 0.487 473 HG22 VAL 57 2HG2 VAL 57 -3.769 1.171 -0.679 474 HG23 VAL 57 3HG2 VAL 57 -3.191 0.657 0.905 475 H LYS 58 H LYS 58 -4.789 -1.986 -3.375 476 HA LYS 58 HA LYS 58 -3.851 -4.672 -3.124 477 HB2 LYS 58 2HB LYS 58 -6.130 -3.288 -4.300 478 HB3 LYS 58 1HB LYS 58 -5.579 -4.640 -5.282 479 HG2 LYS 58 2HG LYS 58 -5.618 -5.935 -3.022 480 HG3 LYS 58 1HG LYS 58 -6.704 -4.637 -2.522 481 HD2 LYS 58 2HD LYS 58 -8.376 -5.327 -3.891 482 HD3 LYS 58 1HD LYS 58 -7.263 -5.880 -5.145 483 HE2 LYS 58 2HE LYS 58 -6.808 -7.570 -2.972 484 HE3 LYS 58 1HE LYS 58 -8.559 -7.374 -3.039 485 HZ1 LYS 58 1HZ LYS 58 -8.687 -8.369 -5.071 486 HZ2 LYS 58 2HZ LYS 58 -7.353 -9.199 -4.445 487 HZ3 LYS 58 3HZ LYS 58 -7.120 -7.925 -5.532 488 H LYS 59 H LYS 59 -3.355 -2.089 -5.414 489 HA LYS 59 HA LYS 59 -2.359 -3.765 -7.511 490 HB2 LYS 59 2HB LYS 59 -3.362 -1.577 -7.982 491 HB3 LYS 59 1HB LYS 59 -2.065 -0.786 -7.097 492 HG2 LYS 59 2HG LYS 59 -0.940 -2.492 -9.094 493 HG3 LYS 59 1HG LYS 59 -2.157 -1.449 -9.829 494 HD2 LYS 59 2HD LYS 59 -0.764 0.255 -8.152 495 HD3 LYS 59 1HD LYS 59 0.491 -0.796 -8.812 496 HE2 LYS 59 2HE LYS 59 -1.536 0.328 -10.676 497 HE3 LYS 59 1HE LYS 59 -0.281 1.403 -10.060 498 HZ1 LYS 59 1HZ LYS 59 0.626 -1.171 -11.056 499 HZ2 LYS 59 2HZ LYS 59 1.310 0.365 -11.242 500 HZ3 LYS 59 3HZ LYS 59 0.015 -0.108 -12.223 501 H LEU 60 H LEU 60 -0.879 -1.878 -4.912 502 HA LEU 60 HA LEU 60 1.787 -2.343 -5.874 503 HB2 LEU 60 2HB LEU 60 0.986 -0.380 -4.443 504 HB3 LEU 60 1HB LEU 60 1.075 -1.485 -3.084 505 HG LEU 60 HG LEU 60 3.510 -1.468 -4.691 506 HD11 LEU 60 1HD1 LEU 60 2.310 1.068 -3.971 507 HD12 LEU 60 2HD1 LEU 60 3.695 0.716 -5.004 508 HD13 LEU 60 3HD1 LEU 60 3.907 0.843 -3.258 509 HD21 LEU 60 1HD2 LEU 60 3.009 -0.942 -1.771 510 HD22 LEU 60 2HD2 LEU 60 4.553 -1.344 -2.522 511 HD23 LEU 60 3HD2 LEU 60 3.254 -2.535 -2.487 512 H GLU 61 H GLU 61 -0.411 -4.012 -3.783 513 HA GLU 61 HA GLU 61 1.504 -5.539 -2.356 514 HB2 GLU 61 2HB GLU 61 -1.206 -5.159 -2.193 515 HB3 GLU 61 1HB GLU 61 -1.108 -6.793 -2.828 516 HG2 GLU 61 2HG GLU 61 0.739 -6.832 -0.809 517 HG3 GLU 61 1HG GLU 61 -0.519 -5.775 -0.170 518 H GLU 62 H GLU 62 -0.623 -6.361 -5.087 519 HA GLU 62 HA GLU 62 0.504 -8.886 -5.600 520 HB2 GLU 62 2HB GLU 62 -1.685 -7.574 -6.483 521 HB3 GLU 62 1HB GLU 62 -0.636 -7.378 -7.881 522 HG2 GLU 62 2HG GLU 62 -0.409 -9.741 -8.126 523 HG3 GLU 62 1HG GLU 62 -1.240 -10.027 -6.598 524 H GLU 63 H GLU 63 1.457 -5.672 -6.483 525 HA GLU 63 HA GLU 63 3.054 -6.203 -8.716 526 HB2 GLU 63 2HB GLU 63 2.753 -4.020 -6.766 527 HB3 GLU 63 1HB GLU 63 4.341 -4.112 -7.511 528 HG2 GLU 63 2HG GLU 63 1.728 -3.952 -8.994 529 HG3 GLU 63 1HG GLU 63 2.831 -2.607 -8.708 530 H ILE 64 H ILE 64 3.966 -6.002 -5.280 531 HA ILE 64 HA ILE 64 6.679 -6.627 -5.611 532 HB ILE 64 HB ILE 64 5.000 -7.296 -3.194 533 HG12 ILE 64 2HG1 ILE 64 6.343 -4.691 -3.945 534 HG13 ILE 64 1HG1 ILE 64 4.613 -4.965 -3.799 535 HG21 ILE 64 1HG2 ILE 64 7.051 -7.104 -1.958 536 HG22 ILE 64 2HG2 ILE 64 7.921 -6.585 -3.402 537 HG23 ILE 64 3HG2 ILE 64 7.296 -8.231 -3.292 538 HD11 ILE 64 1HD1 ILE 64 6.476 -5.342 -1.484 539 HD12 ILE 64 2HD1 ILE 64 4.724 -5.142 -1.468 540 HD13 ILE 64 3HD1 ILE 64 5.764 -3.779 -1.882 541 H LYS 65 H LYS 65 3.845 -8.616 -5.637 542 HA LYS 65 HA LYS 65 5.015 -11.083 -4.932 543 HB2 LYS 65 2HB LYS 65 2.473 -10.140 -5.898 544 HB3 LYS 65 1HB LYS 65 2.935 -11.596 -6.770 545 HG2 LYS 65 2HG LYS 65 1.660 -12.279 -4.899 546 HG3 LYS 65 1HG LYS 65 3.342 -12.685 -4.551 547 HD2 LYS 65 2HD LYS 65 3.098 -10.130 -3.552 548 HD3 LYS 65 1HD LYS 65 1.534 -10.855 -3.177 549 HE2 LYS 65 2HE LYS 65 3.893 -12.531 -2.620 550 HE3 LYS 65 1HE LYS 65 3.723 -11.092 -1.615 551 HZ1 LYS 65 1HZ LYS 65 1.431 -12.900 -2.020 552 HZ2 LYS 65 2HZ LYS 65 1.736 -11.835 -0.741 553 HZ3 LYS 65 3HZ LYS 65 2.615 -13.273 -0.871 554 H LYS 66 H LYS 66 4.910 -9.287 -7.926 555 HA LYS 66 HA LYS 66 5.630 -11.391 -9.671 556 HB2 LYS 66 2HB LYS 66 5.953 -8.397 -9.864 557 HB3 LYS 66 1HB LYS 66 6.417 -9.491 -11.161 558 HG2 LYS 66 2HG LYS 66 4.190 -10.183 -11.509 559 HG3 LYS 66 1HG LYS 66 3.647 -9.436 -10.004 560 HD2 LYS 66 2HD LYS 66 4.518 -7.239 -11.105 561 HD3 LYS 66 1HD LYS 66 4.373 -8.155 -12.607 562 HE2 LYS 66 2HE LYS 66 1.990 -8.703 -11.455 563 HE3 LYS 66 1HE LYS 66 2.287 -7.083 -10.825 564 HZ1 LYS 66 1HZ LYS 66 1.271 -6.568 -12.774 565 HZ2 LYS 66 2HZ LYS 66 1.821 -7.950 -13.579 566 HZ3 LYS 66 3HZ LYS 66 2.865 -6.642 -13.338 567 H LEU 67 H LEU 67 7.652 -8.719 -8.433 568 HA LEU 67 HA LEU 67 10.093 -9.756 -9.289 569 HB2 LEU 67 2HB LEU 67 11.029 -8.265 -7.456 570 HB3 LEU 67 1HB LEU 67 10.064 -7.495 -8.696 571 HG LEU 67 HG LEU 67 8.265 -8.181 -6.646 572 HD11 LEU 67 1HD1 LEU 67 10.878 -7.152 -5.600 573 HD12 LEU 67 2HD1 LEU 67 9.879 -8.473 -4.991 574 HD13 LEU 67 3HD1 LEU 67 9.354 -6.802 -4.784 575 HD21 LEU 67 1HD2 LEU 67 8.953 -5.447 -6.445 576 HD22 LEU 67 2HD2 LEU 67 7.584 -6.173 -7.290 577 HD23 LEU 67 3HD2 LEU 67 9.103 -5.906 -8.141 578 H6 HTS 101 H6 HTS 68 7.733 3.476 3.672 579 H3 HTS 101 H3 HTS 68 7.970 -0.710 1.082 580 H4 HTS 101 H4 HTS 68 10.041 0.465 1.710 581 H5 HTS 101 H5 HTS 68 9.921 2.561 3.004 582 HO1 HTS 101 HO1 HTS 68 5.383 3.342 2.990 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -14.441 -6.401 13.715 2 H2 GLY 1 2H GLY 1 -13.140 -5.520 13.087 3 H3 GLY 1 3H GLY 1 -14.597 -5.601 12.232 4 HA2 GLY 1 1HA GLY 1 -15.687 -4.484 14.183 5 HA3 GLY 1 2HA GLY 1 -14.061 -4.183 14.775 6 H SER 2 H SER 2 -12.618 -3.379 12.737 7 HA SER 2 HA SER 2 -14.104 -1.097 11.608 8 HB2 SER 2 2HB SER 2 -12.231 -0.715 13.390 9 HB3 SER 2 1HB SER 2 -11.134 -1.037 12.048 10 HG SER 2 HG SER 2 -12.801 1.130 12.506 11 H ARG 3 H ARG 3 -13.280 -0.266 9.549 12 HA ARG 3 HA ARG 3 -12.290 -2.463 7.863 13 HB2 ARG 3 2HB ARG 3 -14.564 -1.052 7.539 14 HB3 ARG 3 1HB ARG 3 -13.460 -0.050 6.605 15 HG2 ARG 3 2HG ARG 3 -12.854 -2.571 5.726 16 HG3 ARG 3 1HG ARG 3 -14.595 -2.665 5.996 17 HD2 ARG 3 2HD ARG 3 -14.647 -0.407 4.710 18 HD3 ARG 3 1HD ARG 3 -13.055 -0.899 4.135 19 HE ARG 3 HE ARG 3 -14.976 -2.970 3.792 20 HH11 ARG 3 1HH1 ARG 3 -13.870 0.047 2.431 21 HH12 ARG 3 2HH1 ARG 3 -14.413 -0.332 0.831 22 HH21 ARG 3 1HH2 ARG 3 -15.690 -3.472 1.688 23 HH22 ARG 3 2HH2 ARG 3 -15.446 -2.330 0.410 24 H VAL 4 H VAL 4 -12.102 1.090 8.110 25 HA VAL 4 HA VAL 4 -9.813 1.300 6.440 26 HB VAL 4 HB VAL 4 -10.724 3.307 8.504 27 HG11 VAL 4 1HG1 VAL 4 -9.489 3.999 5.882 28 HG12 VAL 4 2HG1 VAL 4 -8.453 3.425 7.190 29 HG13 VAL 4 3HG1 VAL 4 -9.442 4.867 7.417 30 HG21 VAL 4 1HG2 VAL 4 -12.665 3.163 7.326 31 HG22 VAL 4 2HG2 VAL 4 -11.870 2.548 5.877 32 HG23 VAL 4 3HG2 VAL 4 -11.790 4.267 6.264 33 H LYS 5 H LYS 5 -10.279 1.183 9.944 34 HA LYS 5 HA LYS 5 -7.684 1.772 10.762 35 HB2 LYS 5 2HB LYS 5 -10.073 0.801 11.958 36 HB3 LYS 5 1HB LYS 5 -8.763 -0.250 12.473 37 HG2 LYS 5 2HG LYS 5 -7.727 1.386 13.662 38 HG3 LYS 5 1HG LYS 5 -8.307 2.675 12.604 39 HD2 LYS 5 2HD LYS 5 -10.262 2.914 13.740 40 HD3 LYS 5 1HD LYS 5 -10.348 1.202 14.165 41 HE2 LYS 5 2HE LYS 5 -9.556 1.665 16.186 42 HE3 LYS 5 1HE LYS 5 -8.081 2.307 15.465 43 HZ1 LYS 5 1HZ LYS 5 -10.395 4.066 15.425 44 HZ2 LYS 5 2HZ LYS 5 -8.769 4.421 15.727 45 HZ3 LYS 5 3HZ LYS 5 -9.730 3.757 16.950 46 H ALA 6 H ALA 6 -9.053 -1.178 9.487 47 HA ALA 6 HA ALA 6 -6.760 -2.794 10.151 48 HB1 ALA 6 1HB ALA 6 -9.227 -3.301 8.507 49 HB2 ALA 6 2HB ALA 6 -8.822 -3.944 10.098 50 HB3 ALA 6 3HB ALA 6 -7.930 -4.484 8.676 51 H LEU 7 H LEU 7 -7.803 -0.823 7.502 52 HA LEU 7 HA LEU 7 -6.215 -1.956 5.457 53 HB2 LEU 7 2HB LEU 7 -8.150 -0.060 5.549 54 HB3 LEU 7 1HB LEU 7 -6.728 0.948 5.362 55 HG LEU 7 HG LEU 7 -7.570 -1.274 3.498 56 HD11 LEU 7 1HD1 LEU 7 -7.681 1.726 3.254 57 HD12 LEU 7 2HD1 LEU 7 -9.038 0.599 3.260 58 HD13 LEU 7 3HD1 LEU 7 -7.907 0.611 1.907 59 HD21 LEU 7 1HD2 LEU 7 -5.738 0.105 2.124 60 HD22 LEU 7 2HD2 LEU 7 -5.337 -1.293 3.123 61 HD23 LEU 7 3HD2 LEU 7 -5.102 0.337 3.754 62 H GLU 8 H GLU 8 -5.533 0.277 8.037 63 HA GLU 8 HA GLU 8 -3.078 1.250 6.920 64 HB2 GLU 8 2HB GLU 8 -4.321 1.453 9.657 65 HB3 GLU 8 1HB GLU 8 -2.747 2.140 9.281 66 HG2 GLU 8 2HG GLU 8 -3.698 3.621 7.671 67 HG3 GLU 8 1HG GLU 8 -5.268 2.828 7.793 68 H GLU 9 H GLU 9 -3.996 -1.376 9.050 69 HA GLU 9 HA GLU 9 -1.317 -1.912 9.927 70 HB2 GLU 9 2HB GLU 9 -2.230 -3.843 11.025 71 HB3 GLU 9 1HB GLU 9 -3.335 -2.497 11.263 72 HG2 GLU 9 2HG GLU 9 -4.953 -3.405 9.918 73 HG3 GLU 9 1HG GLU 9 -3.802 -4.369 8.994 74 H LYS 10 H LYS 10 -3.213 -2.760 7.181 75 HA LYS 10 HA LYS 10 -1.827 -5.155 6.494 76 HB2 LYS 10 2HB LYS 10 -4.062 -3.703 5.528 77 HB3 LYS 10 1HB LYS 10 -2.947 -3.888 4.182 78 HG2 LYS 10 2HG LYS 10 -3.110 -6.188 4.187 79 HG3 LYS 10 1HG LYS 10 -3.634 -6.250 5.871 80 HD2 LYS 10 2HD LYS 10 -5.518 -6.773 4.494 81 HD3 LYS 10 1HD LYS 10 -5.769 -5.161 5.168 82 HE2 LYS 10 2HE LYS 10 -6.165 -4.500 3.074 83 HE3 LYS 10 1HE LYS 10 -4.430 -4.665 2.809 84 HZ1 LYS 10 1HZ LYS 10 -6.234 -5.915 1.340 85 HZ2 LYS 10 2HZ LYS 10 -6.027 -7.086 2.543 86 HZ3 LYS 10 3HZ LYS 10 -4.698 -6.560 1.638 87 H VAL 11 H VAL 11 -1.721 -1.856 5.151 88 HA VAL 11 HA VAL 11 0.446 -2.359 3.414 89 HB VAL 11 HB VAL 11 -0.344 0.318 4.559 90 HG11 VAL 11 1HG1 VAL 11 1.476 0.938 3.404 91 HG12 VAL 11 2HG1 VAL 11 0.448 0.732 1.986 92 HG13 VAL 11 3HG1 VAL 11 1.529 -0.569 2.488 93 HG21 VAL 11 1HG2 VAL 11 -1.996 -1.377 3.151 94 HG22 VAL 11 2HG2 VAL 11 -1.338 -0.323 1.899 95 HG23 VAL 11 3HG2 VAL 11 -2.179 0.372 3.285 96 H LYS 12 H LYS 12 0.282 -1.461 6.757 97 HA LYS 12 HA LYS 12 2.848 -0.415 7.133 98 HB2 LYS 12 2HB LYS 12 0.869 -0.504 8.777 99 HB3 LYS 12 1HB LYS 12 1.441 -2.116 9.182 100 HG2 LYS 12 2HG LYS 12 3.621 -1.159 9.809 101 HG3 LYS 12 1HG LYS 12 2.987 0.451 9.467 102 HD2 LYS 12 2HD LYS 12 2.471 0.449 11.659 103 HD3 LYS 12 1HD LYS 12 1.078 -0.500 11.135 104 HE2 LYS 12 2HE LYS 12 2.627 -2.535 11.451 105 HE3 LYS 12 1HE LYS 12 3.635 -1.435 12.390 106 HZ1 LYS 12 1HZ LYS 12 1.594 -0.945 13.729 107 HZ2 LYS 12 2HZ LYS 12 2.200 -2.515 13.900 108 HZ3 LYS 12 3HZ LYS 12 0.836 -2.237 12.940 109 H ALA 13 H ALA 13 1.687 -3.729 7.011 110 HA ALA 13 HA ALA 13 4.258 -4.848 7.728 111 HB1 ALA 13 1HB ALA 13 2.728 -6.394 8.357 112 HB2 ALA 13 2HB ALA 13 2.913 -6.945 6.692 113 HB3 ALA 13 3HB ALA 13 1.564 -5.895 7.128 114 H LEU 14 H LEU 14 2.575 -3.823 4.943 115 HA LEU 14 HA LEU 14 3.879 -5.289 2.927 116 HB2 LEU 14 2HB LEU 14 1.750 -3.763 2.943 117 HB3 LEU 14 1HB LEU 14 2.883 -2.489 2.547 118 HG LEU 14 HG LEU 14 3.242 -4.795 0.819 119 HD11 LEU 14 1HD1 LEU 14 0.500 -3.851 1.345 120 HD12 LEU 14 2HD1 LEU 14 1.072 -5.399 0.719 121 HD13 LEU 14 3HD1 LEU 14 0.956 -4.003 -0.353 122 HD21 LEU 14 1HD2 LEU 14 4.121 -2.948 -0.141 123 HD22 LEU 14 2HD2 LEU 14 2.971 -1.862 0.641 124 HD23 LEU 14 3HD2 LEU 14 2.490 -2.777 -0.788 125 H GLU 15 H GLU 15 4.800 -2.549 4.830 126 HA GLU 15 HA GLU 15 6.858 -1.608 3.069 127 HB2 GLU 15 2HB GLU 15 5.830 0.002 4.492 128 HB3 GLU 15 1HB GLU 15 6.105 -0.980 5.923 129 HG2 GLU 15 2HG GLU 15 8.464 -0.561 5.829 130 HG3 GLU 15 1HG GLU 15 8.298 0.264 4.279 131 H GLU 16 H GLU 16 6.735 -3.561 6.022 132 HA GLU 16 HA GLU 16 9.455 -3.783 6.534 133 HB2 GLU 16 2HB GLU 16 7.358 -5.927 6.917 134 HB3 GLU 16 1HB GLU 16 8.914 -5.844 7.729 135 HG2 GLU 16 2HG GLU 16 7.282 -3.441 8.040 136 HG3 GLU 16 1HG GLU 16 6.564 -4.900 8.722 137 H LYS 17 H LYS 17 7.490 -5.375 4.129 138 HA LYS 17 HA LYS 17 9.438 -7.363 3.449 139 HB2 LYS 17 2HB LYS 17 6.857 -7.362 3.066 140 HB3 LYS 17 1HB LYS 17 7.254 -6.483 1.596 141 HG2 LYS 17 2HG LYS 17 8.953 -8.491 1.294 142 HG3 LYS 17 1HG LYS 17 7.772 -9.309 2.319 143 HD2 LYS 17 2HD LYS 17 6.035 -8.330 0.654 144 HD3 LYS 17 1HD LYS 17 7.425 -8.145 -0.417 145 HE2 LYS 17 2HE LYS 17 6.855 -10.756 0.939 146 HE3 LYS 17 1HE LYS 17 6.030 -10.311 -0.556 147 HZ1 LYS 17 1HZ LYS 17 7.811 -11.306 -1.472 148 HZ2 LYS 17 2HZ LYS 17 8.800 -11.067 -0.120 149 HZ3 LYS 17 3HZ LYS 17 8.552 -9.806 -1.219 150 H VAL 18 H VAL 18 8.444 -4.248 2.079 151 HA VAL 18 HA VAL 18 10.232 -4.394 -0.140 152 HB VAL 18 HB VAL 18 9.166 -1.817 0.946 153 HG11 VAL 18 1HG1 VAL 18 9.932 -2.855 -1.764 154 HG12 VAL 18 2HG1 VAL 18 10.597 -1.480 -0.882 155 HG13 VAL 18 3HG1 VAL 18 8.970 -1.392 -1.558 156 HG21 VAL 18 1HG2 VAL 18 7.066 -2.539 0.769 157 HG22 VAL 18 2HG2 VAL 18 7.595 -4.091 0.122 158 HG23 VAL 18 3HG2 VAL 18 7.337 -2.726 -0.964 159 H LYS 19 H LYS 19 10.272 -2.479 2.868 160 HA LYS 19 HA LYS 19 12.645 -1.144 2.525 161 HB2 LYS 19 2HB LYS 19 11.237 -2.173 4.960 162 HB3 LYS 19 1HB LYS 19 12.814 -1.413 5.123 163 HG2 LYS 19 2HG LYS 19 11.279 0.280 3.484 164 HG3 LYS 19 1HG LYS 19 10.244 -0.203 4.828 165 HD2 LYS 19 2HD LYS 19 11.815 0.600 6.431 166 HD3 LYS 19 1HD LYS 19 13.046 0.842 5.189 167 HE2 LYS 19 2HE LYS 19 12.118 2.782 4.452 168 HE3 LYS 19 1HE LYS 19 10.475 2.265 4.828 169 HZ1 LYS 19 1HZ LYS 19 10.604 3.068 6.919 170 HZ2 LYS 19 2HZ LYS 19 11.768 4.088 6.238 171 HZ3 LYS 19 3HZ LYS 19 12.250 2.711 7.093 172 H ALA 20 H ALA 20 12.162 -4.499 3.363 173 HA ALA 20 HA ALA 20 14.998 -4.890 3.919 174 HB1 ALA 20 1HB ALA 20 14.446 -6.978 4.780 175 HB2 ALA 20 2HB ALA 20 12.959 -7.082 3.839 176 HB3 ALA 20 3HB ALA 20 13.058 -5.980 5.213 177 H LEU 21 H LEU 21 12.948 -4.932 1.250 178 HA LEU 21 HA LEU 21 14.095 -7.082 -0.217 179 HB2 LEU 21 2HB LEU 21 11.890 -5.464 -0.483 180 HB3 LEU 21 1HB LEU 21 12.930 -4.891 -1.771 181 HG LEU 21 HG LEU 21 12.036 -7.748 -1.390 182 HD11 LEU 21 1HD1 LEU 21 11.242 -6.202 -3.767 183 HD12 LEU 21 2HD1 LEU 21 10.476 -5.733 -2.248 184 HD13 LEU 21 3HD1 LEU 21 10.341 -7.393 -2.828 185 HD21 LEU 21 1HD2 LEU 21 13.188 -6.818 -3.939 186 HD22 LEU 21 2HD2 LEU 21 13.360 -8.366 -3.111 187 HD23 LEU 21 3HD2 LEU 21 14.314 -6.977 -2.591 188 H GLY 22 H GLY 22 14.221 -3.598 -0.976 189 HA2 GLY 22 2HA GLY 22 16.883 -3.096 -0.956 190 HA3 GLY 22 1HA GLY 22 16.667 -3.970 -2.466 191 H GLY 23 H GLY 23 16.552 -2.652 -4.149 192 HA2 GLY 23 2HA GLY 23 14.623 -0.750 -4.607 193 HA3 GLY 23 1HA GLY 23 15.949 0.130 -3.862 194 H GLY 24 H GLY 24 14.640 -0.367 -6.720 195 HA2 GLY 24 2HA GLY 24 16.213 0.690 -8.463 196 HA3 GLY 24 1HA GLY 24 17.180 -0.745 -8.160 197 H GLY 25 H GLY 25 14.260 0.508 -9.599 198 HA2 GLY 25 2HA GLY 25 13.559 -0.446 -11.717 199 HA3 GLY 25 1HA GLY 25 14.011 -2.025 -11.092 200 H ARG 26 H ARG 26 12.367 -3.271 -10.527 201 HA ARG 26 HA ARG 26 9.699 -2.457 -10.535 202 HB2 ARG 26 2HB ARG 26 10.995 -4.862 -10.442 203 HB3 ARG 26 1HB ARG 26 10.308 -4.781 -8.829 204 HG2 ARG 26 2HG ARG 26 8.922 -4.904 -11.470 205 HG3 ARG 26 1HG ARG 26 8.676 -5.887 -10.026 206 HD2 ARG 26 2HD ARG 26 6.839 -4.575 -9.840 207 HD3 ARG 26 1HD ARG 26 7.987 -3.512 -9.028 208 HE ARG 26 HE ARG 26 7.960 -2.975 -11.800 209 HH11 ARG 26 1HH1 ARG 26 6.032 -2.544 -8.927 210 HH12 ARG 26 2HH1 ARG 26 5.239 -1.123 -9.519 211 HH21 ARG 26 1HH2 ARG 26 6.922 -1.104 -12.581 212 HH22 ARG 26 2HH2 ARG 26 5.745 -0.305 -11.594 213 H ILE 27 H ILE 27 11.924 -2.954 -7.829 214 HA ILE 27 HA ILE 27 10.066 -2.468 -5.769 215 HB ILE 27 HB ILE 27 13.042 -1.984 -5.659 216 HG12 ILE 27 2HG1 ILE 27 11.827 -4.513 -4.669 217 HG13 ILE 27 1HG1 ILE 27 11.984 -4.330 -6.412 218 HG21 ILE 27 1HG2 ILE 27 12.355 -2.886 -3.221 219 HG22 ILE 27 2HG2 ILE 27 10.870 -2.046 -3.667 220 HG23 ILE 27 3HG2 ILE 27 12.403 -1.176 -3.650 221 HD11 ILE 27 1HD1 ILE 27 14.022 -5.175 -6.116 222 HD12 ILE 27 2HD1 ILE 27 14.015 -4.832 -4.387 223 HD13 ILE 27 3HD1 ILE 27 14.450 -3.566 -5.535 224 H GLU 28 H GLU 28 11.955 -0.315 -7.768 225 HA GLU 28 HA GLU 28 11.921 1.985 -6.190 226 HB2 GLU 28 2HB GLU 28 13.258 1.760 -8.234 227 HB3 GLU 28 1HB GLU 28 11.791 1.782 -9.203 228 HG2 GLU 28 2HG GLU 28 11.916 4.077 -7.464 229 HG3 GLU 28 1HG GLU 28 13.360 3.955 -8.467 230 H GLU 29 H GLU 29 9.643 1.126 -8.811 231 HA GLU 29 HA GLU 29 7.909 3.286 -8.453 232 HB2 GLU 29 2HB GLU 29 7.829 1.892 -10.442 233 HB3 GLU 29 1HB GLU 29 7.328 0.505 -9.486 234 HG2 GLU 29 2HG GLU 29 5.238 1.055 -9.969 235 HG3 GLU 29 1HG GLU 29 5.439 2.446 -8.905 236 H LEU 30 H LEU 30 7.764 0.020 -7.096 237 HA LEU 30 HA LEU 30 5.362 0.246 -5.723 238 HB2 LEU 30 2HB LEU 30 7.805 -1.359 -4.988 239 HB3 LEU 30 1HB LEU 30 6.206 -1.592 -4.308 240 HG LEU 30 HG LEU 30 6.841 -1.899 -7.238 241 HD11 LEU 30 1HD1 LEU 30 7.427 -3.648 -5.048 242 HD12 LEU 30 2HD1 LEU 30 7.744 -3.868 -6.769 243 HD13 LEU 30 3HD1 LEU 30 6.201 -4.379 -6.085 244 HD21 LEU 30 1HD2 LEU 30 4.460 -1.369 -6.331 245 HD22 LEU 30 2HD2 LEU 30 4.483 -3.055 -5.817 246 HD23 LEU 30 3HD2 LEU 30 4.680 -2.650 -7.522 247 H LYS 31 H LYS 31 8.409 1.674 -5.020 248 HA LYS 31 HA LYS 31 8.032 1.978 -2.206 249 HB2 LYS 31 2HB LYS 31 10.248 1.987 -3.362 250 HB3 LYS 31 1HB LYS 31 9.843 3.560 -4.033 251 HG2 LYS 31 2HG LYS 31 10.526 4.581 -2.194 252 HG3 LYS 31 1HG LYS 31 9.460 3.592 -1.195 253 HD2 LYS 31 2HD LYS 31 11.200 1.782 -1.307 254 HD3 LYS 31 1HD LYS 31 12.271 2.956 -2.077 255 HE2 LYS 31 2HE LYS 31 12.508 4.200 -0.161 256 HE3 LYS 31 1HE LYS 31 10.954 3.682 0.494 257 HZ1 LYS 31 1HZ LYS 31 11.894 1.520 0.963 258 HZ2 LYS 31 2HZ LYS 31 12.826 2.723 1.703 259 HZ3 LYS 31 3HZ LYS 31 13.378 1.977 0.288 260 H LYS 32 H LYS 32 7.995 4.396 -4.840 261 HA LYS 32 HA LYS 32 7.162 6.574 -3.386 262 HB2 LYS 32 2HB LYS 32 6.711 5.781 -6.245 263 HB3 LYS 32 1HB LYS 32 6.037 7.278 -5.614 264 HG2 LYS 32 2HG LYS 32 8.378 7.877 -4.884 265 HG3 LYS 32 1HG LYS 32 8.929 6.503 -5.843 266 HD2 LYS 32 2HD LYS 32 7.331 8.841 -6.885 267 HD3 LYS 32 1HD LYS 32 9.068 8.612 -7.095 268 HE2 LYS 32 2HE LYS 32 8.239 7.801 -9.089 269 HE3 LYS 32 1HE LYS 32 8.374 6.330 -8.128 270 HZ1 LYS 32 1HZ LYS 32 5.838 7.664 -7.853 271 HZ2 LYS 32 2HZ LYS 32 6.176 6.034 -8.149 272 HZ3 LYS 32 3HZ LYS 32 6.152 7.139 -9.430 273 H LYS 33 H LYS 33 5.087 4.174 -4.981 274 HA LYS 33 HA LYS 33 2.653 5.407 -4.172 275 HB2 LYS 33 2HB LYS 33 3.451 3.210 -5.821 276 HB3 LYS 33 1HB LYS 33 2.190 2.671 -4.724 277 HG2 LYS 33 2HG LYS 33 1.809 5.234 -6.182 278 HG3 LYS 33 1HG LYS 33 1.607 3.715 -7.055 279 HD2 LYS 33 2HD LYS 33 0.159 4.515 -4.530 280 HD3 LYS 33 1HD LYS 33 -0.522 4.511 -6.156 281 HE2 LYS 33 2HE LYS 33 0.568 1.956 -5.774 282 HE3 LYS 33 1HE LYS 33 -0.272 2.351 -4.274 283 HZ1 LYS 33 1HZ LYS 33 -1.873 1.359 -5.630 284 HZ2 LYS 33 2HZ LYS 33 -1.383 2.204 -7.010 285 HZ3 LYS 33 3HZ LYS 33 -2.194 3.015 -5.767 286 H CYS 34 H CYS 34 4.794 3.148 -2.653 287 HA CYS 34 HA CYS 34 2.999 1.858 -0.922 288 HB2 CYS 34 2HB CYS 34 5.767 1.863 -1.381 289 HB3 CYS 34 1HB CYS 34 5.583 2.271 0.314 290 H GLU 35 H GLU 35 5.194 4.579 -0.164 291 HA GLU 35 HA GLU 35 4.049 5.027 2.385 292 HB2 GLU 35 2HB GLU 35 5.363 7.192 2.281 293 HB3 GLU 35 1HB GLU 35 6.290 5.706 2.124 294 HG2 GLU 35 2HG GLU 35 7.057 6.305 0.138 295 HG3 GLU 35 1HG GLU 35 5.432 6.652 -0.447 296 H GLU 36 H GLU 36 3.818 6.893 -0.645 297 HA GLU 36 HA GLU 36 2.152 8.907 0.194 298 HB2 GLU 36 2HB GLU 36 3.236 8.374 -2.146 299 HB3 GLU 36 1HB GLU 36 1.665 7.659 -2.481 300 HG2 GLU 36 2HG GLU 36 1.854 10.438 -1.405 301 HG3 GLU 36 1HG GLU 36 2.117 10.122 -3.119 302 H LEU 37 H LEU 37 1.411 5.584 -0.397 303 HA LEU 37 HA LEU 37 -1.405 5.819 -0.619 304 HB2 LEU 37 2HB LEU 37 -0.424 3.863 -1.493 305 HB3 LEU 37 1HB LEU 37 0.470 3.553 -0.020 306 HG LEU 37 HG LEU 37 -1.486 2.802 1.118 307 HD11 LEU 37 1HD1 LEU 37 -2.974 4.551 -0.005 308 HD12 LEU 37 2HD1 LEU 37 -3.688 2.976 0.340 309 HD13 LEU 37 3HD1 LEU 37 -3.170 3.371 -1.299 310 HD21 LEU 37 1HD2 LEU 37 -1.635 0.801 0.095 311 HD22 LEU 37 2HD2 LEU 37 -0.366 1.466 -0.934 312 HD23 LEU 37 3HD2 LEU 37 -2.046 1.509 -1.467 313 H LYS 38 H LYS 38 0.766 5.109 2.099 314 HA LYS 38 HA LYS 38 -1.167 4.540 4.024 315 HB2 LYS 38 2HB LYS 38 1.664 5.173 3.981 316 HB3 LYS 38 1HB LYS 38 0.877 5.853 5.398 317 HG2 LYS 38 2HG LYS 38 -0.141 3.303 5.297 318 HG3 LYS 38 1HG LYS 38 1.528 3.090 4.763 319 HD2 LYS 38 2HD LYS 38 0.929 4.744 7.183 320 HD3 LYS 38 1HD LYS 38 0.954 2.983 7.302 321 HE2 LYS 38 2HE LYS 38 3.238 3.060 6.240 322 HE3 LYS 38 1HE LYS 38 3.191 4.809 6.451 323 HZ1 LYS 38 1HZ LYS 38 2.764 4.317 8.877 324 HZ2 LYS 38 2HZ LYS 38 4.320 3.973 8.308 325 HZ3 LYS 38 3HZ LYS 38 3.211 2.718 8.545 326 H LYS 39 H LYS 39 0.502 7.658 3.516 327 HA LYS 39 HA LYS 39 -0.916 9.176 5.332 328 HB2 LYS 39 2HB LYS 39 -0.216 11.124 4.066 329 HB3 LYS 39 1HB LYS 39 1.092 9.952 4.128 330 HG2 LYS 39 2HG LYS 39 0.420 9.184 1.857 331 HG3 LYS 39 1HG LYS 39 -0.733 10.519 1.805 332 HD2 LYS 39 2HD LYS 39 2.102 11.121 2.482 333 HD3 LYS 39 1HD LYS 39 1.701 10.755 0.803 334 HE2 LYS 39 2HE LYS 39 -0.007 12.524 0.845 335 HE3 LYS 39 1HE LYS 39 0.439 12.900 2.510 336 HZ1 LYS 39 1HZ LYS 39 2.609 12.905 0.578 337 HZ2 LYS 39 2HZ LYS 39 2.302 13.958 1.865 338 HZ3 LYS 39 3HZ LYS 39 1.468 14.144 0.406 339 H LYS 40 H LYS 40 -1.903 8.036 2.199 340 HA LYS 40 HA LYS 40 -4.067 9.848 1.832 341 HB2 LYS 40 2HB LYS 40 -2.905 8.421 0.056 342 HB3 LYS 40 1HB LYS 40 -3.880 7.082 0.648 343 HG2 LYS 40 2HG LYS 40 -5.409 7.726 -0.829 344 HG3 LYS 40 1HG LYS 40 -5.734 9.079 0.256 345 HD2 LYS 40 2HD LYS 40 -5.171 10.429 -1.427 346 HD3 LYS 40 1HD LYS 40 -3.509 9.882 -1.205 347 HE2 LYS 40 2HE LYS 40 -3.638 9.195 -3.330 348 HE3 LYS 40 1HE LYS 40 -4.598 7.858 -2.696 349 HZ1 LYS 40 1HZ LYS 40 -5.962 10.369 -3.352 350 HZ2 LYS 40 2HZ LYS 40 -6.535 8.779 -3.430 351 HZ3 LYS 40 3HZ LYS 40 -5.486 9.359 -4.624 352 H ILE 41 H ILE 41 -3.669 6.905 3.629 353 HA ILE 41 HA ILE 41 -6.488 6.360 3.862 354 HB ILE 41 HB ILE 41 -4.365 5.256 5.686 355 HG12 ILE 41 2HG1 ILE 41 -5.070 4.349 2.886 356 HG13 ILE 41 1HG1 ILE 41 -3.508 4.940 3.442 357 HG21 ILE 41 1HG2 ILE 41 -6.596 4.727 6.349 358 HG22 ILE 41 2HG2 ILE 41 -5.891 3.277 5.633 359 HG23 ILE 41 3HG2 ILE 41 -7.030 4.254 4.706 360 HD11 ILE 41 1HD1 ILE 41 -4.014 2.821 5.121 361 HD12 ILE 41 2HD1 ILE 41 -2.965 2.805 3.702 362 HD13 ILE 41 3HD1 ILE 41 -4.642 2.277 3.566 363 H GLU 42 H GLU 42 -4.050 8.057 5.718 364 HA GLU 42 HA GLU 42 -5.517 8.306 8.124 365 HB2 GLU 42 2HB GLU 42 -3.193 9.777 6.923 366 HB3 GLU 42 1HB GLU 42 -3.946 10.367 8.397 367 HG2 GLU 42 2HG GLU 42 -3.289 8.522 9.629 368 HG3 GLU 42 1HG GLU 42 -3.053 7.525 8.193 369 H GLU 43 H GLU 43 -5.310 10.266 5.206 370 HA GLU 43 HA GLU 43 -6.851 12.440 6.199 371 HB2 GLU 43 2HB GLU 43 -6.589 13.378 4.115 372 HB3 GLU 43 1HB GLU 43 -5.237 12.256 4.122 373 HG2 GLU 43 2HG GLU 43 -6.742 10.626 2.927 374 HG3 GLU 43 1HG GLU 43 -7.881 11.955 2.729 375 H LEU 44 H LEU 44 -7.582 9.494 4.452 376 HA LEU 44 HA LEU 44 -10.190 9.956 3.661 377 HB2 LEU 44 2HB LEU 44 -8.622 7.533 4.385 378 HB3 LEU 44 1HB LEU 44 -10.358 7.360 4.220 379 HG LEU 44 HG LEU 44 -8.592 8.501 2.059 380 HD11 LEU 44 1HD1 LEU 44 -7.820 6.390 1.921 381 HD12 LEU 44 2HD1 LEU 44 -9.358 6.104 1.108 382 HD13 LEU 44 3HD1 LEU 44 -9.180 5.718 2.819 383 HD21 LEU 44 1HD2 LEU 44 -10.625 7.774 0.685 384 HD22 LEU 44 2HD2 LEU 44 -10.786 9.220 1.681 385 HD23 LEU 44 3HD2 LEU 44 -11.476 7.692 2.226 386 H GLY 45 H GLY 45 -12.177 8.899 4.610 387 HA2 GLY 45 2HA GLY 45 -12.181 9.160 7.552 388 HA3 GLY 45 1HA GLY 45 -13.435 9.890 6.562 389 H GLY 46 H GLY 46 -14.901 8.498 5.421 390 HA2 GLY 46 2HA GLY 46 -14.866 5.668 5.825 391 HA3 GLY 46 1HA GLY 46 -15.998 6.462 6.910 392 H GLY 47 H GLY 47 -15.506 5.205 3.805 393 HA2 GLY 47 2HA GLY 47 -17.130 4.772 2.198 394 HA3 GLY 47 1HA GLY 47 -18.245 5.797 3.087 395 H GLY 48 H GLY 48 -17.588 5.655 0.195 396 HA2 GLY 48 2HA GLY 48 -17.921 7.505 -1.285 397 HA3 GLY 48 1HA GLY 48 -17.054 8.527 -0.149 398 H GLU 49 H GLU 49 -14.765 8.414 -0.067 399 HA GLU 49 HA GLU 49 -13.599 7.570 -2.610 400 HB2 GLU 49 2HB GLU 49 -13.299 9.874 -1.193 401 HB3 GLU 49 1HB GLU 49 -11.893 8.968 -0.651 402 HG2 GLU 49 2HG GLU 49 -11.292 8.613 -3.045 403 HG3 GLU 49 1HG GLU 49 -12.606 9.706 -3.477 404 H VAL 50 H VAL 50 -13.717 6.640 0.688 405 HA VAL 50 HA VAL 50 -11.298 5.453 1.190 406 HB VAL 50 HB VAL 50 -13.161 5.553 2.804 407 HG11 VAL 50 1HG1 VAL 50 -14.832 3.667 2.732 408 HG12 VAL 50 2HG1 VAL 50 -14.308 3.376 1.073 409 HG13 VAL 50 3HG1 VAL 50 -15.042 4.920 1.508 410 HG21 VAL 50 1HG2 VAL 50 -11.218 4.058 3.142 411 HG22 VAL 50 2HG2 VAL 50 -12.136 2.747 2.403 412 HG23 VAL 50 3HG2 VAL 50 -12.688 3.467 3.915 413 H LYS 51 H LYS 51 -13.801 4.381 -0.983 414 HA LYS 51 HA LYS 51 -12.849 1.713 -1.301 415 HB2 LYS 51 2HB LYS 51 -14.377 1.594 -3.192 416 HB3 LYS 51 1HB LYS 51 -15.166 2.360 -1.819 417 HG2 LYS 51 2HG LYS 51 -14.587 4.574 -2.877 418 HG3 LYS 51 1HG LYS 51 -14.120 3.664 -4.314 419 HD2 LYS 51 2HD LYS 51 -16.817 3.318 -3.040 420 HD3 LYS 51 1HD LYS 51 -16.506 4.605 -4.207 421 HE2 LYS 51 2HE LYS 51 -15.579 1.948 -5.040 422 HE3 LYS 51 1HE LYS 51 -17.327 2.086 -4.841 423 HZ1 LYS 51 1HZ LYS 51 -17.350 3.931 -6.362 424 HZ2 LYS 51 2HZ LYS 51 -16.577 2.621 -7.100 425 HZ3 LYS 51 3HZ LYS 51 -15.664 3.909 -6.495 426 H LYS 52 H LYS 52 -12.080 4.776 -2.778 427 HA LYS 52 HA LYS 52 -10.776 3.747 -5.082 428 HB2 LYS 52 2HB LYS 52 -11.515 6.023 -5.105 429 HB3 LYS 52 1HB LYS 52 -10.596 6.400 -3.654 430 HG2 LYS 52 2HG LYS 52 -8.555 6.358 -4.797 431 HG3 LYS 52 1HG LYS 52 -9.252 5.519 -6.185 432 HD2 LYS 52 2HD LYS 52 -10.771 7.774 -6.101 433 HD3 LYS 52 1HD LYS 52 -9.217 8.381 -5.527 434 HE2 LYS 52 2HE LYS 52 -8.426 6.869 -7.628 435 HE3 LYS 52 1HE LYS 52 -10.009 7.404 -8.190 436 HZ1 LYS 52 1HZ LYS 52 -8.828 9.175 -8.874 437 HZ2 LYS 52 2HZ LYS 52 -7.581 8.936 -7.757 438 HZ3 LYS 52 3HZ LYS 52 -9.015 9.691 -7.273 439 H VAL 53 H VAL 53 -9.430 5.142 -2.083 440 HA VAL 53 HA VAL 53 -6.755 4.563 -2.598 441 HB VAL 53 HB VAL 53 -8.025 4.560 0.141 442 HG11 VAL 53 1HG1 VAL 53 -5.676 3.792 -0.011 443 HG12 VAL 53 2HG1 VAL 53 -5.860 5.278 0.919 444 HG13 VAL 53 3HG1 VAL 53 -5.247 5.342 -0.732 445 HG21 VAL 53 1HG2 VAL 53 -7.311 6.820 -1.694 446 HG22 VAL 53 2HG2 VAL 53 -7.290 7.030 0.058 447 HG23 VAL 53 3HG2 VAL 53 -8.785 6.569 -0.758 448 H GLU 54 H GLU 54 -9.326 2.514 -1.432 449 HA GLU 54 HA GLU 54 -7.795 0.434 -0.329 450 HB2 GLU 54 2HB GLU 54 -10.346 0.819 -0.246 451 HB3 GLU 54 1HB GLU 54 -10.385 -0.014 -1.793 452 HG2 GLU 54 2HG GLU 54 -9.004 -1.824 -0.477 453 HG3 GLU 54 1HG GLU 54 -9.772 -1.065 0.917 454 H GLU 55 H GLU 55 -8.869 1.073 -3.627 455 HA GLU 55 HA GLU 55 -7.904 -1.364 -4.729 456 HB2 GLU 55 2HB GLU 55 -9.643 -0.021 -5.828 457 HB3 GLU 55 1HB GLU 55 -8.487 1.280 -6.077 458 HG2 GLU 55 2HG GLU 55 -8.169 0.369 -8.082 459 HG3 GLU 55 1HG GLU 55 -7.209 -0.838 -7.227 460 H GLU 56 H GLU 56 -6.475 1.711 -4.002 461 HA GLU 56 HA GLU 56 -4.198 1.512 -5.674 462 HB2 GLU 56 2HB GLU 56 -4.777 3.102 -3.178 463 HB3 GLU 56 1HB GLU 56 -3.254 3.229 -4.046 464 HG2 GLU 56 2HG GLU 56 -4.450 3.950 -6.047 465 HG3 GLU 56 1HG GLU 56 -5.978 3.820 -5.179 466 H VAL 57 H VAL 57 -5.000 0.236 -2.540 467 HA VAL 57 HA VAL 57 -2.279 -0.462 -1.865 468 HB VAL 57 HB VAL 57 -4.800 -1.444 -0.530 469 HG11 VAL 57 1HG1 VAL 57 -1.909 -1.316 0.272 470 HG12 VAL 57 2HG1 VAL 57 -2.976 -2.718 0.213 471 HG13 VAL 57 3HG1 VAL 57 -3.206 -1.488 1.456 472 HG21 VAL 57 1HG2 VAL 57 -3.566 0.659 0.938 473 HG22 VAL 57 2HG2 VAL 57 -5.193 0.592 0.261 474 HG23 VAL 57 3HG2 VAL 57 -3.862 1.225 -0.707 475 H LYS 58 H LYS 58 -4.985 -1.921 -3.446 476 HA LYS 58 HA LYS 58 -4.135 -4.630 -3.152 477 HB2 LYS 58 2HB LYS 58 -6.341 -3.187 -4.395 478 HB3 LYS 58 1HB LYS 58 -5.802 -4.555 -5.362 479 HG2 LYS 58 2HG LYS 58 -6.396 -6.096 -3.762 480 HG3 LYS 58 1HG LYS 58 -6.287 -4.928 -2.443 481 HD2 LYS 58 2HD LYS 58 -8.531 -4.906 -2.575 482 HD3 LYS 58 1HD LYS 58 -8.267 -3.841 -3.957 483 HE2 LYS 58 2HE LYS 58 -8.436 -5.687 -5.483 484 HE3 LYS 58 1HE LYS 58 -8.492 -6.840 -4.151 485 HZ1 LYS 58 1HZ LYS 58 -10.659 -5.942 -5.367 486 HZ2 LYS 58 2HZ LYS 58 -10.532 -4.764 -4.160 487 HZ3 LYS 58 3HZ LYS 58 -10.652 -6.397 -3.737 488 H LYS 59 H LYS 59 -3.480 -2.076 -5.428 489 HA LYS 59 HA LYS 59 -2.486 -3.780 -7.502 490 HB2 LYS 59 2HB LYS 59 -3.356 -1.597 -8.068 491 HB3 LYS 59 1HB LYS 59 -2.182 -0.812 -7.023 492 HG2 LYS 59 2HG LYS 59 -0.787 -2.441 -8.901 493 HG3 LYS 59 1HG LYS 59 -1.952 -1.436 -9.766 494 HD2 LYS 59 2HD LYS 59 -0.218 -0.211 -7.661 495 HD3 LYS 59 1HD LYS 59 0.451 -0.531 -9.262 496 HE2 LYS 59 2HE LYS 59 -1.326 0.801 -10.278 497 HE3 LYS 59 1HE LYS 59 -2.022 1.100 -8.685 498 HZ1 LYS 59 1HZ LYS 59 0.422 1.971 -8.253 499 HZ2 LYS 59 2HZ LYS 59 -0.783 2.967 -8.900 500 HZ3 LYS 59 3HZ LYS 59 0.359 2.250 -9.922 501 H LEU 60 H LEU 60 -0.991 -1.958 -4.856 502 HA LEU 60 HA LEU 60 1.673 -2.549 -5.746 503 HB2 LEU 60 2HB LEU 60 0.792 -0.581 -4.258 504 HB3 LEU 60 1HB LEU 60 1.073 -1.713 -2.946 505 HG LEU 60 HG LEU 60 3.360 -1.618 -4.704 506 HD11 LEU 60 1HD1 LEU 60 2.660 0.998 -3.400 507 HD12 LEU 60 2HD1 LEU 60 2.465 0.668 -5.122 508 HD13 LEU 60 3HD1 LEU 60 4.068 0.627 -4.392 509 HD21 LEU 60 1HD2 LEU 60 4.486 -1.020 -2.558 510 HD22 LEU 60 2HD2 LEU 60 3.522 -2.495 -2.494 511 HD23 LEU 60 3HD2 LEU 60 2.895 -1.001 -1.794 512 H GLU 61 H GLU 61 -0.630 -4.107 -3.678 513 HA GLU 61 HA GLU 61 1.220 -5.701 -2.223 514 HB2 GLU 61 2HB GLU 61 -1.464 -5.171 -2.043 515 HB3 GLU 61 1HB GLU 61 -1.459 -6.823 -2.635 516 HG2 GLU 61 2HG GLU 61 0.397 -6.941 -0.647 517 HG3 GLU 61 1HG GLU 61 -0.747 -5.756 -0.016 518 H GLU 62 H GLU 62 -0.897 -6.386 -4.991 519 HA GLU 62 HA GLU 62 0.048 -9.016 -5.427 520 HB2 GLU 62 2HB GLU 62 -2.067 -7.582 -6.322 521 HB3 GLU 62 1HB GLU 62 -1.027 -7.514 -7.737 522 HG2 GLU 62 2HG GLU 62 -0.944 -9.914 -7.851 523 HG3 GLU 62 1HG GLU 62 -1.841 -10.049 -6.339 524 H GLU 63 H GLU 63 1.184 -5.888 -6.393 525 HA GLU 63 HA GLU 63 2.711 -6.597 -8.638 526 HB2 GLU 63 2HB GLU 63 2.279 -4.284 -7.026 527 HB3 GLU 63 1HB GLU 63 4.012 -4.485 -7.239 528 HG2 GLU 63 2HG GLU 63 1.985 -4.394 -9.462 529 HG3 GLU 63 1HG GLU 63 3.003 -3.049 -8.949 530 H ILE 64 H ILE 64 3.840 -6.023 -5.304 531 HA ILE 64 HA ILE 64 6.467 -6.758 -5.587 532 HB ILE 64 HB ILE 64 4.748 -7.345 -3.171 533 HG12 ILE 64 2HG1 ILE 64 6.268 -4.850 -3.959 534 HG13 ILE 64 1HG1 ILE 64 4.523 -5.011 -3.818 535 HG21 ILE 64 1HG2 ILE 64 6.610 -8.227 -2.335 536 HG22 ILE 64 2HG2 ILE 64 7.315 -6.611 -2.375 537 HG23 ILE 64 3HG2 ILE 64 7.557 -7.712 -3.731 538 HD11 ILE 64 1HD1 ILE 64 6.584 -4.840 -1.677 539 HD12 ILE 64 2HD1 ILE 64 5.050 -5.652 -1.357 540 HD13 ILE 64 3HD1 ILE 64 5.066 -3.959 -1.855 541 H LYS 65 H LYS 65 3.660 -8.825 -5.446 542 HA LYS 65 HA LYS 65 4.869 -11.243 -4.737 543 HB2 LYS 65 2HB LYS 65 2.351 -10.400 -5.949 544 HB3 LYS 65 1HB LYS 65 2.890 -11.967 -6.533 545 HG2 LYS 65 2HG LYS 65 1.625 -12.564 -4.718 546 HG3 LYS 65 1HG LYS 65 3.237 -12.481 -4.003 547 HD2 LYS 65 2HD LYS 65 2.154 -9.884 -3.846 548 HD3 LYS 65 1HD LYS 65 0.878 -10.991 -3.336 549 HE2 LYS 65 2HE LYS 65 2.035 -11.699 -1.501 550 HE3 LYS 65 1HE LYS 65 3.607 -11.444 -2.259 551 HZ1 LYS 65 1HZ LYS 65 1.967 -9.602 -0.728 552 HZ2 LYS 65 2HZ LYS 65 2.731 -8.940 -2.084 553 HZ3 LYS 65 3HZ LYS 65 3.650 -9.688 -0.877 554 H LYS 66 H LYS 66 4.912 -9.468 -7.722 555 HA LYS 66 HA LYS 66 5.790 -11.649 -9.359 556 HB2 LYS 66 2HB LYS 66 5.129 -8.845 -9.712 557 HB3 LYS 66 1HB LYS 66 6.586 -9.273 -10.600 558 HG2 LYS 66 2HG LYS 66 4.642 -11.312 -11.013 559 HG3 LYS 66 1HG LYS 66 3.894 -9.741 -11.309 560 HD2 LYS 66 2HD LYS 66 5.784 -9.174 -12.809 561 HD3 LYS 66 1HD LYS 66 6.421 -10.802 -12.571 562 HE2 LYS 66 2HE LYS 66 4.882 -11.743 -13.924 563 HE3 LYS 66 1HE LYS 66 3.598 -10.657 -13.391 564 HZ1 LYS 66 1HZ LYS 66 5.714 -9.457 -14.983 565 HZ2 LYS 66 2HZ LYS 66 4.045 -9.187 -15.020 566 HZ3 LYS 66 3HZ LYS 66 4.700 -10.538 -15.799 567 H LEU 67 H LEU 67 7.422 -8.745 -8.089 568 HA LEU 67 HA LEU 67 10.013 -9.594 -8.870 569 HB2 LEU 67 2HB LEU 67 10.692 -7.794 -7.144 570 HB3 LEU 67 1HB LEU 67 9.870 -7.306 -8.611 571 HG LEU 67 HG LEU 67 8.022 -7.847 -6.416 572 HD11 LEU 67 1HD1 LEU 67 8.576 -5.816 -5.147 573 HD12 LEU 67 2HD1 LEU 67 10.054 -5.644 -6.094 574 HD13 LEU 67 3HD1 LEU 67 9.840 -7.041 -5.039 575 HD21 LEU 67 1HD2 LEU 67 7.564 -6.700 -8.612 576 HD22 LEU 67 2HD2 LEU 67 8.474 -5.323 -7.990 577 HD23 LEU 67 3HD2 LEU 67 7.002 -5.846 -7.175 578 H6 HTS 101 H6 HTS 68 7.843 3.428 3.737 579 H3 HTS 101 H3 HTS 68 7.858 -0.721 1.077 580 H4 HTS 101 H4 HTS 68 9.977 0.446 1.551 581 H5 HTS 101 H5 HTS 68 9.967 2.515 2.888 582 HO1 HTS 101 HO1 HTS 68 5.361 2.120 4.279 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -16.409 -5.572 12.011 2 H2 GLY 1 2H GLY 1 -17.115 -4.434 10.978 3 H3 GLY 1 3H GLY 1 -18.054 -5.202 12.157 4 HA2 GLY 1 1HA GLY 1 -17.650 -3.094 13.038 5 HA3 GLY 1 2HA GLY 1 -16.539 -4.172 13.868 6 H SER 2 H SER 2 -14.768 -4.455 11.572 7 HA SER 2 HA SER 2 -13.660 -1.734 11.410 8 HB2 SER 2 2HB SER 2 -11.392 -2.689 11.654 9 HB3 SER 2 1HB SER 2 -12.383 -2.975 13.084 10 HG SER 2 HG SER 2 -11.850 -4.826 10.997 11 H ARG 3 H ARG 3 -12.951 -1.110 9.448 12 HA ARG 3 HA ARG 3 -12.558 -3.134 7.369 13 HB2 ARG 3 2HB ARG 3 -14.892 -1.670 7.529 14 HB3 ARG 3 1HB ARG 3 -13.932 -0.748 6.379 15 HG2 ARG 3 2HG ARG 3 -14.133 -3.695 6.026 16 HG3 ARG 3 1HG ARG 3 -15.516 -2.686 5.593 17 HD2 ARG 3 2HD ARG 3 -13.909 -1.296 4.224 18 HD3 ARG 3 1HD ARG 3 -12.716 -2.568 4.492 19 HE ARG 3 HE ARG 3 -15.211 -3.516 3.419 20 HH11 ARG 3 1HH1 ARG 3 -12.075 -2.198 2.641 21 HH12 ARG 3 2HH1 ARG 3 -12.057 -2.857 1.040 22 HH21 ARG 3 1HH2 ARG 3 -15.189 -4.384 1.314 23 HH22 ARG 3 2HH2 ARG 3 -13.824 -4.098 0.286 24 H VAL 4 H VAL 4 -12.426 0.351 8.086 25 HA VAL 4 HA VAL 4 -10.296 0.756 6.173 26 HB VAL 4 HB VAL 4 -11.292 2.736 8.220 27 HG11 VAL 4 1HG1 VAL 4 -9.200 3.337 7.141 28 HG12 VAL 4 2HG1 VAL 4 -10.502 4.389 6.584 29 HG13 VAL 4 3HG1 VAL 4 -9.924 3.080 5.554 30 HG21 VAL 4 1HG2 VAL 4 -12.501 3.447 5.880 31 HG22 VAL 4 2HG2 VAL 4 -13.279 2.556 7.188 32 HG23 VAL 4 3HG2 VAL 4 -12.595 1.687 5.814 33 H LYS 5 H LYS 5 -10.657 0.658 9.690 34 HA LYS 5 HA LYS 5 -8.100 1.497 10.418 35 HB2 LYS 5 2HB LYS 5 -9.785 -0.588 11.818 36 HB3 LYS 5 1HB LYS 5 -8.492 0.362 12.535 37 HG2 LYS 5 2HG LYS 5 -9.776 2.216 12.741 38 HG3 LYS 5 1HG LYS 5 -10.721 1.858 11.293 39 HD2 LYS 5 2HD LYS 5 -12.081 0.315 12.434 40 HD3 LYS 5 1HD LYS 5 -10.965 0.216 13.799 41 HE2 LYS 5 2HE LYS 5 -12.652 2.594 13.024 42 HE3 LYS 5 1HE LYS 5 -12.919 1.524 14.401 43 HZ1 LYS 5 1HZ LYS 5 -11.013 3.687 14.078 44 HZ2 LYS 5 2HZ LYS 5 -10.414 2.308 14.851 45 HZ3 LYS 5 3HZ LYS 5 -11.767 3.106 15.476 46 H ALA 6 H ALA 6 -9.242 -1.587 9.243 47 HA ALA 6 HA ALA 6 -6.849 -3.026 9.898 48 HB1 ALA 6 1HB ALA 6 -8.860 -4.285 9.778 49 HB2 ALA 6 2HB ALA 6 -7.857 -4.790 8.417 50 HB3 ALA 6 3HB ALA 6 -9.212 -3.691 8.154 51 H LEU 7 H LEU 7 -7.952 -1.097 7.241 52 HA LEU 7 HA LEU 7 -6.264 -2.105 5.216 53 HB2 LEU 7 2HB LEU 7 -8.300 -0.341 5.275 54 HB3 LEU 7 1HB LEU 7 -6.948 0.772 5.188 55 HG LEU 7 HG LEU 7 -7.660 -1.376 3.198 56 HD11 LEU 7 1HD1 LEU 7 -8.790 0.998 3.359 57 HD12 LEU 7 2HD1 LEU 7 -8.361 0.287 1.803 58 HD13 LEU 7 3HD1 LEU 7 -7.312 1.500 2.538 59 HD21 LEU 7 1HD2 LEU 7 -5.252 0.436 3.299 60 HD22 LEU 7 2HD2 LEU 7 -5.729 -0.526 1.901 61 HD23 LEU 7 3HD2 LEU 7 -5.258 -1.324 3.402 62 H GLU 8 H GLU 8 -5.838 0.436 7.630 63 HA GLU 8 HA GLU 8 -3.389 1.423 6.620 64 HB2 GLU 8 2HB GLU 8 -4.654 1.579 9.353 65 HB3 GLU 8 1HB GLU 8 -3.150 2.393 8.944 66 HG2 GLU 8 2HG GLU 8 -4.234 3.768 7.339 67 HG3 GLU 8 1HG GLU 8 -5.721 2.826 7.449 68 H GLU 9 H GLU 9 -4.187 -1.191 8.819 69 HA GLU 9 HA GLU 9 -1.486 -1.578 9.710 70 HB2 GLU 9 2HB GLU 9 -2.321 -3.502 10.879 71 HB3 GLU 9 1HB GLU 9 -3.494 -2.205 11.053 72 HG2 GLU 9 2HG GLU 9 -5.047 -3.242 9.736 73 HG3 GLU 9 1HG GLU 9 -3.844 -4.175 8.853 74 H LYS 10 H LYS 10 -3.304 -2.542 6.967 75 HA LYS 10 HA LYS 10 -1.859 -4.927 6.361 76 HB2 LYS 10 2HB LYS 10 -4.039 -3.396 5.218 77 HB3 LYS 10 1HB LYS 10 -2.929 -3.946 3.971 78 HG2 LYS 10 2HG LYS 10 -3.782 -5.924 6.006 79 HG3 LYS 10 1HG LYS 10 -4.972 -5.411 4.807 80 HD2 LYS 10 2HD LYS 10 -2.335 -6.040 3.693 81 HD3 LYS 10 1HD LYS 10 -3.146 -7.411 4.454 82 HE2 LYS 10 2HE LYS 10 -4.417 -5.619 2.390 83 HE3 LYS 10 1HE LYS 10 -3.627 -7.151 2.018 84 HZ1 LYS 10 1HZ LYS 10 -5.275 -8.353 3.042 85 HZ2 LYS 10 2HZ LYS 10 -6.172 -7.074 2.394 86 HZ3 LYS 10 3HZ LYS 10 -5.765 -7.073 4.036 87 H VAL 11 H VAL 11 -1.661 -1.563 5.264 88 HA VAL 11 HA VAL 11 0.480 -2.077 3.437 89 HB VAL 11 HB VAL 11 -0.355 0.595 4.563 90 HG11 VAL 11 1HG1 VAL 11 0.883 0.027 1.886 91 HG12 VAL 11 2HG1 VAL 11 1.852 0.352 3.323 92 HG13 VAL 11 3HG1 VAL 11 0.731 1.573 2.722 93 HG21 VAL 11 1HG2 VAL 11 -2.162 0.654 3.243 94 HG22 VAL 11 2HG2 VAL 11 -2.000 -1.102 3.179 95 HG23 VAL 11 3HG2 VAL 11 -1.314 -0.104 1.895 96 H LYS 12 H LYS 12 0.252 -1.178 6.778 97 HA LYS 12 HA LYS 12 2.846 -0.149 7.148 98 HB2 LYS 12 2HB LYS 12 0.684 -0.362 8.743 99 HB3 LYS 12 1HB LYS 12 1.633 -1.707 9.363 100 HG2 LYS 12 2HG LYS 12 3.403 -0.296 10.007 101 HG3 LYS 12 1HG LYS 12 2.769 1.056 9.068 102 HD2 LYS 12 2HD LYS 12 1.945 1.731 11.052 103 HD3 LYS 12 1HD LYS 12 0.676 0.553 10.712 104 HE2 LYS 12 2HE LYS 12 1.520 -0.986 12.195 105 HE3 LYS 12 1HE LYS 12 3.163 -0.361 12.072 106 HZ1 LYS 12 1HZ LYS 12 0.957 0.529 13.763 107 HZ2 LYS 12 2HZ LYS 12 1.998 1.723 13.172 108 HZ3 LYS 12 3HZ LYS 12 2.614 0.450 14.099 109 H ALA 13 H ALA 13 1.553 -3.402 7.110 110 HA ALA 13 HA ALA 13 4.057 -4.613 7.926 111 HB1 ALA 13 1HB ALA 13 2.443 -6.057 8.590 112 HB2 ALA 13 2HB ALA 13 2.625 -6.682 6.952 113 HB3 ALA 13 3HB ALA 13 1.322 -5.553 7.325 114 H LEU 14 H LEU 14 2.460 -3.620 5.075 115 HA LEU 14 HA LEU 14 3.740 -5.233 3.150 116 HB2 LEU 14 2HB LEU 14 1.658 -3.655 3.050 117 HB3 LEU 14 1HB LEU 14 2.832 -2.429 2.621 118 HG LEU 14 HG LEU 14 3.089 -4.871 1.029 119 HD11 LEU 14 1HD1 LEU 14 0.971 -3.914 -0.301 120 HD12 LEU 14 2HD1 LEU 14 0.457 -3.573 1.352 121 HD13 LEU 14 3HD1 LEU 14 0.864 -5.222 0.877 122 HD21 LEU 14 1HD2 LEU 14 4.192 -3.235 -0.041 123 HD22 LEU 14 2HD2 LEU 14 3.252 -1.958 0.732 124 HD23 LEU 14 3HD2 LEU 14 2.603 -2.805 -0.673 125 H GLU 15 H GLU 15 4.719 -2.426 4.925 126 HA GLU 15 HA GLU 15 6.795 -1.594 3.151 127 HB2 GLU 15 2HB GLU 15 5.872 0.072 4.564 128 HB3 GLU 15 1HB GLU 15 6.083 -0.917 6.002 129 HG2 GLU 15 2HG GLU 15 8.529 -0.686 5.755 130 HG3 GLU 15 1HG GLU 15 8.260 0.382 4.378 131 H GLU 16 H GLU 16 6.783 -3.280 6.295 132 HA GLU 16 HA GLU 16 9.496 -3.667 6.601 133 HB2 GLU 16 2HB GLU 16 8.937 -5.598 7.999 134 HB3 GLU 16 1HB GLU 16 7.863 -4.246 8.325 135 HG2 GLU 16 2HG GLU 16 6.039 -5.311 7.502 136 HG3 GLU 16 1HG GLU 16 6.970 -6.234 6.325 137 H LYS 17 H LYS 17 7.317 -5.240 4.403 138 HA LYS 17 HA LYS 17 9.047 -7.444 3.796 139 HB2 LYS 17 2HB LYS 17 6.406 -6.985 3.398 140 HB3 LYS 17 1HB LYS 17 7.032 -6.622 1.795 141 HG2 LYS 17 2HG LYS 17 7.935 -8.803 1.559 142 HG3 LYS 17 1HG LYS 17 7.645 -9.175 3.260 143 HD2 LYS 17 2HD LYS 17 5.787 -10.171 2.461 144 HD3 LYS 17 1HD LYS 17 5.144 -8.528 2.461 145 HE2 LYS 17 2HE LYS 17 6.033 -8.335 0.093 146 HE3 LYS 17 1HE LYS 17 6.291 -10.079 0.152 147 HZ1 LYS 17 1HZ LYS 17 3.959 -10.418 0.508 148 HZ2 LYS 17 2HZ LYS 17 4.155 -9.443 -0.859 149 HZ3 LYS 17 3HZ LYS 17 3.673 -8.752 0.608 150 H VAL 18 H VAL 18 8.339 -4.307 2.330 151 HA VAL 18 HA VAL 18 10.075 -4.735 0.082 152 HB VAL 18 HB VAL 18 9.012 -2.107 1.069 153 HG11 VAL 18 1HG1 VAL 18 9.322 -1.338 -1.167 154 HG12 VAL 18 2HG1 VAL 18 9.716 -2.964 -1.728 155 HG13 VAL 18 3HG1 VAL 18 10.823 -2.110 -0.654 156 HG21 VAL 18 1HG2 VAL 18 7.664 -3.797 -1.009 157 HG22 VAL 18 2HG2 VAL 18 7.022 -2.415 -0.121 158 HG23 VAL 18 3HG2 VAL 18 7.269 -3.955 0.702 159 H LYS 19 H LYS 19 10.198 -2.632 2.953 160 HA LYS 19 HA LYS 19 12.702 -1.531 2.511 161 HB2 LYS 19 2HB LYS 19 11.188 -2.109 5.047 162 HB3 LYS 19 1HB LYS 19 12.756 -1.313 5.067 163 HG2 LYS 19 2HG LYS 19 11.361 0.129 3.190 164 HG3 LYS 19 1HG LYS 19 10.132 -0.258 4.396 165 HD2 LYS 19 2HD LYS 19 11.036 1.755 5.154 166 HD3 LYS 19 1HD LYS 19 11.869 0.535 6.119 167 HE2 LYS 19 2HE LYS 19 13.515 2.085 5.389 168 HE3 LYS 19 1HE LYS 19 13.730 0.617 4.436 169 HZ1 LYS 19 1HZ LYS 19 12.499 1.668 2.630 170 HZ2 LYS 19 2HZ LYS 19 13.868 2.571 3.043 171 HZ3 LYS 19 3HZ LYS 19 12.335 3.083 3.543 172 H ALA 20 H ALA 20 11.888 -4.743 3.410 173 HA ALA 20 HA ALA 20 14.524 -5.320 4.496 174 HB1 ALA 20 1HB ALA 20 11.955 -6.821 4.296 175 HB2 ALA 20 2HB ALA 20 12.963 -6.495 5.706 176 HB3 ALA 20 3HB ALA 20 13.461 -7.709 4.527 177 H LEU 21 H LEU 21 12.912 -5.401 1.475 178 HA LEU 21 HA LEU 21 14.815 -7.344 0.387 179 HB2 LEU 21 2HB LEU 21 13.374 -7.678 -1.404 180 HB3 LEU 21 1HB LEU 21 12.289 -7.457 -0.046 181 HG LEU 21 HG LEU 21 12.235 -4.966 -0.847 182 HD11 LEU 21 1HD1 LEU 21 12.281 -5.226 -3.494 183 HD12 LEU 21 2HD1 LEU 21 13.541 -6.390 -3.082 184 HD13 LEU 21 3HD1 LEU 21 13.687 -4.712 -2.562 185 HD21 LEU 21 1HD2 LEU 21 10.478 -6.922 -0.952 186 HD22 LEU 21 2HD2 LEU 21 10.799 -6.811 -2.683 187 HD23 LEU 21 3HD2 LEU 21 10.205 -5.403 -1.803 188 H GLY 22 H GLY 22 15.920 -6.861 -1.629 189 HA2 GLY 22 2HA GLY 22 16.332 -3.971 -2.065 190 HA3 GLY 22 1HA GLY 22 17.703 -5.050 -1.862 191 H GLY 23 H GLY 23 17.358 -3.433 -4.115 192 HA2 GLY 23 2HA GLY 23 18.072 -4.855 -6.234 193 HA3 GLY 23 1HA GLY 23 16.343 -5.168 -6.230 194 H GLY 24 H GLY 24 16.633 -4.149 -8.419 195 HA2 GLY 24 2HA GLY 24 16.017 -1.297 -8.168 196 HA3 GLY 24 1HA GLY 24 17.338 -1.754 -9.233 197 H GLY 25 H GLY 25 14.462 -0.616 -9.523 198 HA2 GLY 25 2HA GLY 25 13.618 -0.757 -11.874 199 HA3 GLY 25 1HA GLY 25 13.627 -2.499 -11.643 200 H ARG 26 H ARG 26 11.786 -3.424 -11.025 201 HA ARG 26 HA ARG 26 9.398 -2.014 -10.776 202 HB2 ARG 26 2HB ARG 26 8.363 -4.074 -10.257 203 HB3 ARG 26 1HB ARG 26 9.706 -4.476 -11.317 204 HG2 ARG 26 2HG ARG 26 9.790 -4.694 -8.314 205 HG3 ARG 26 1HG ARG 26 9.423 -6.030 -9.406 206 HD2 ARG 26 2HD ARG 26 11.654 -5.485 -10.526 207 HD3 ARG 26 1HD ARG 26 11.993 -4.509 -9.099 208 HE ARG 26 HE ARG 26 11.390 -6.793 -7.941 209 HH11 ARG 26 1HH1 ARG 26 13.353 -6.242 -10.779 210 HH12 ARG 26 2HH1 ARG 26 14.336 -7.642 -10.519 211 HH21 ARG 26 1HH2 ARG 26 12.686 -8.629 -7.603 212 HH22 ARG 26 2HH2 ARG 26 13.959 -8.996 -8.718 213 H ILE 27 H ILE 27 11.786 -2.825 -8.392 214 HA ILE 27 HA ILE 27 10.199 -2.538 -6.081 215 HB ILE 27 HB ILE 27 13.163 -2.032 -6.351 216 HG12 ILE 27 2HG1 ILE 27 11.761 -4.589 -5.555 217 HG13 ILE 27 1HG1 ILE 27 12.376 -4.276 -7.175 218 HG21 ILE 27 1HG2 ILE 27 13.281 -2.480 -3.985 219 HG22 ILE 27 2HG2 ILE 27 11.551 -2.815 -3.927 220 HG23 ILE 27 3HG2 ILE 27 12.122 -1.183 -4.273 221 HD11 ILE 27 1HD1 ILE 27 13.863 -5.655 -5.734 222 HD12 ILE 27 2HD1 ILE 27 14.085 -4.239 -4.705 223 HD13 ILE 27 3HD1 ILE 27 14.618 -4.200 -6.385 224 H GLU 28 H GLU 28 11.800 -0.232 -8.156 225 HA GLU 28 HA GLU 28 11.822 1.961 -6.379 226 HB2 GLU 28 2HB GLU 28 12.297 1.503 -9.230 227 HB3 GLU 28 1HB GLU 28 11.619 3.088 -8.886 228 HG2 GLU 28 2HG GLU 28 14.068 1.960 -7.553 229 HG3 GLU 28 1HG GLU 28 14.092 3.038 -8.948 230 H GLU 29 H GLU 29 9.581 1.228 -9.066 231 HA GLU 29 HA GLU 29 7.811 3.336 -8.583 232 HB2 GLU 29 2HB GLU 29 7.758 2.109 -10.667 233 HB3 GLU 29 1HB GLU 29 7.315 0.628 -9.830 234 HG2 GLU 29 2HG GLU 29 5.418 1.672 -10.983 235 HG3 GLU 29 1HG GLU 29 5.166 1.547 -9.243 236 H LEU 30 H LEU 30 8.155 0.267 -7.003 237 HA LEU 30 HA LEU 30 5.562 0.313 -5.770 238 HB2 LEU 30 2HB LEU 30 8.006 -1.371 -5.249 239 HB3 LEU 30 1HB LEU 30 6.470 -1.593 -4.431 240 HG LEU 30 HG LEU 30 6.836 -1.815 -7.418 241 HD11 LEU 30 1HD1 LEU 30 7.922 -3.710 -6.871 242 HD12 LEU 30 2HD1 LEU 30 6.291 -4.320 -6.597 243 HD13 LEU 30 3HD1 LEU 30 7.258 -3.747 -5.237 244 HD21 LEU 30 1HD2 LEU 30 4.638 -2.518 -7.532 245 HD22 LEU 30 2HD2 LEU 30 4.558 -1.241 -6.319 246 HD23 LEU 30 3HD2 LEU 30 4.571 -2.932 -5.819 247 H LYS 31 H LYS 31 8.651 1.649 -5.040 248 HA LYS 31 HA LYS 31 8.260 1.843 -2.207 249 HB2 LYS 31 2HB LYS 31 10.506 1.764 -3.134 250 HB3 LYS 31 1HB LYS 31 10.208 3.232 -4.054 251 HG2 LYS 31 2HG LYS 31 10.522 4.579 -2.272 252 HG3 LYS 31 1HG LYS 31 9.826 3.424 -1.136 253 HD2 LYS 31 2HD LYS 31 11.822 2.488 -0.681 254 HD3 LYS 31 1HD LYS 31 12.343 2.554 -2.366 255 HE2 LYS 31 2HE LYS 31 13.740 3.958 -0.916 256 HE3 LYS 31 1HE LYS 31 12.888 4.906 -2.132 257 HZ1 LYS 31 1HZ LYS 31 12.296 4.695 0.760 258 HZ2 LYS 31 2HZ LYS 31 11.175 5.316 -0.343 259 HZ3 LYS 31 3HZ LYS 31 12.667 6.083 -0.135 260 H LYS 32 H LYS 32 8.387 4.341 -4.762 261 HA LYS 32 HA LYS 32 7.614 6.506 -3.251 262 HB2 LYS 32 2HB LYS 32 7.899 5.901 -6.020 263 HB3 LYS 32 1HB LYS 32 6.384 6.766 -5.809 264 HG2 LYS 32 2HG LYS 32 7.470 8.636 -4.860 265 HG3 LYS 32 1HG LYS 32 8.983 7.747 -4.667 266 HD2 LYS 32 2HD LYS 32 9.409 9.012 -6.555 267 HD3 LYS 32 1HD LYS 32 8.850 7.491 -7.254 268 HE2 LYS 32 2HE LYS 32 6.543 9.019 -6.819 269 HE3 LYS 32 1HE LYS 32 7.734 10.135 -7.487 270 HZ1 LYS 32 1HZ LYS 32 7.430 7.523 -8.770 271 HZ2 LYS 32 2HZ LYS 32 7.814 9.021 -9.452 272 HZ3 LYS 32 3HZ LYS 32 6.215 8.673 -9.025 273 H LYS 33 H LYS 33 5.468 4.360 -5.115 274 HA LYS 33 HA LYS 33 3.073 5.622 -4.313 275 HB2 LYS 33 2HB LYS 33 3.722 3.759 -6.183 276 HB3 LYS 33 1HB LYS 33 2.907 2.762 -4.987 277 HG2 LYS 33 2HG LYS 33 1.176 4.823 -5.159 278 HG3 LYS 33 1HG LYS 33 1.829 4.808 -6.798 279 HD2 LYS 33 2HD LYS 33 -0.054 3.384 -6.845 280 HD3 LYS 33 1HD LYS 33 1.350 2.316 -6.811 281 HE2 LYS 33 2HE LYS 33 -0.346 1.505 -5.286 282 HE3 LYS 33 1HE LYS 33 1.067 2.050 -4.384 283 HZ1 LYS 33 1HZ LYS 33 -0.038 3.900 -3.602 284 HZ2 LYS 33 2HZ LYS 33 -1.268 2.738 -3.592 285 HZ3 LYS 33 3HZ LYS 33 -1.195 3.881 -4.837 286 H CYS 34 H CYS 34 5.071 3.247 -2.779 287 HA CYS 34 HA CYS 34 3.200 1.990 -1.114 288 HB2 CYS 34 2HB CYS 34 5.986 1.958 -1.480 289 HB3 CYS 34 1HB CYS 34 5.748 2.343 0.214 290 H GLU 35 H GLU 35 5.412 4.671 -0.263 291 HA GLU 35 HA GLU 35 4.255 5.107 2.267 292 HB2 GLU 35 2HB GLU 35 5.506 7.317 2.145 293 HB3 GLU 35 1HB GLU 35 6.466 5.849 2.013 294 HG2 GLU 35 2HG GLU 35 7.195 6.395 -0.008 295 HG3 GLU 35 1HG GLU 35 5.573 6.794 -0.563 296 H GLU 36 H GLU 36 3.986 7.067 -0.711 297 HA GLU 36 HA GLU 36 2.277 9.002 0.177 298 HB2 GLU 36 2HB GLU 36 1.574 9.310 -2.117 299 HB3 GLU 36 1HB GLU 36 3.290 8.934 -2.079 300 HG2 GLU 36 2HG GLU 36 2.767 7.496 -3.706 301 HG3 GLU 36 1HG GLU 36 2.247 6.461 -2.377 302 H LEU 37 H LEU 37 1.566 5.681 -0.491 303 HA LEU 37 HA LEU 37 -1.249 5.892 -0.694 304 HB2 LEU 37 2HB LEU 37 -0.261 3.958 -1.596 305 HB3 LEU 37 1HB LEU 37 0.655 3.641 -0.139 306 HG LEU 37 HG LEU 37 -1.270 2.839 1.011 307 HD11 LEU 37 1HD1 LEU 37 -2.724 4.609 -0.444 308 HD12 LEU 37 2HD1 LEU 37 -3.412 3.301 0.515 309 HD13 LEU 37 3HD1 LEU 37 -3.167 3.088 -1.217 310 HD21 LEU 37 1HD2 LEU 37 -1.477 0.856 -0.066 311 HD22 LEU 37 2HD2 LEU 37 -0.152 1.526 -1.020 312 HD23 LEU 37 3HD2 LEU 37 -1.806 1.610 -1.627 313 H LYS 38 H LYS 38 0.932 5.226 2.017 314 HA LYS 38 HA LYS 38 -1.045 4.614 3.918 315 HB2 LYS 38 2HB LYS 38 1.753 4.814 3.867 316 HB3 LYS 38 1HB LYS 38 1.228 5.935 5.116 317 HG2 LYS 38 2HG LYS 38 0.934 4.253 6.520 318 HG3 LYS 38 1HG LYS 38 -0.242 3.525 5.423 319 HD2 LYS 38 2HD LYS 38 1.223 1.827 5.317 320 HD3 LYS 38 1HD LYS 38 2.111 2.877 4.212 321 HE2 LYS 38 2HE LYS 38 3.224 3.807 6.340 322 HE3 LYS 38 1HE LYS 38 2.603 2.355 7.123 323 HZ1 LYS 38 1HZ LYS 38 4.043 1.033 6.019 324 HZ2 LYS 38 2HZ LYS 38 4.967 2.448 5.961 325 HZ3 LYS 38 3HZ LYS 38 4.048 1.984 4.620 326 H LYS 39 H LYS 39 0.757 7.672 3.518 327 HA LYS 39 HA LYS 39 -0.583 9.185 5.386 328 HB2 LYS 39 2HB LYS 39 0.176 11.147 4.163 329 HB3 LYS 39 1HB LYS 39 1.441 9.927 4.204 330 HG2 LYS 39 2HG LYS 39 0.546 9.223 1.900 331 HG3 LYS 39 1HG LYS 39 -0.262 10.792 1.903 332 HD2 LYS 39 2HD LYS 39 2.702 10.327 2.233 333 HD3 LYS 39 1HD LYS 39 1.903 10.905 0.769 334 HE2 LYS 39 2HE LYS 39 1.002 12.621 2.746 335 HE3 LYS 39 1HE LYS 39 2.697 12.357 3.155 336 HZ1 LYS 39 1HZ LYS 39 3.010 13.995 1.672 337 HZ2 LYS 39 2HZ LYS 39 1.532 13.740 0.888 338 HZ3 LYS 39 3HZ LYS 39 2.862 12.760 0.525 339 H LYS 40 H LYS 40 -1.648 8.201 2.226 340 HA LYS 40 HA LYS 40 -3.725 10.121 1.937 341 HB2 LYS 40 2HB LYS 40 -2.599 8.566 0.164 342 HB3 LYS 40 1HB LYS 40 -3.830 7.411 0.658 343 HG2 LYS 40 2HG LYS 40 -5.542 9.186 0.161 344 HG3 LYS 40 1HG LYS 40 -4.236 10.123 -0.570 345 HD2 LYS 40 2HD LYS 40 -3.784 8.246 -2.104 346 HD3 LYS 40 1HD LYS 40 -5.142 7.366 -1.398 347 HE2 LYS 40 2HE LYS 40 -6.339 9.706 -2.022 348 HE3 LYS 40 1HE LYS 40 -5.117 9.626 -3.291 349 HZ1 LYS 40 1HZ LYS 40 -6.098 7.140 -3.342 350 HZ2 LYS 40 2HZ LYS 40 -6.662 8.396 -4.323 351 HZ3 LYS 40 3HZ LYS 40 -7.482 8.004 -2.897 352 H ILE 41 H ILE 41 -3.468 7.111 3.646 353 HA ILE 41 HA ILE 41 -6.297 6.663 3.864 354 HB ILE 41 HB ILE 41 -4.218 5.499 5.702 355 HG12 ILE 41 2HG1 ILE 41 -4.953 4.600 2.907 356 HG13 ILE 41 1HG1 ILE 41 -3.376 5.161 3.450 357 HG21 ILE 41 1HG2 ILE 41 -6.933 4.626 4.745 358 HG22 ILE 41 2HG2 ILE 41 -6.427 5.002 6.393 359 HG23 ILE 41 3HG2 ILE 41 -5.819 3.552 5.593 360 HD11 ILE 41 1HD1 ILE 41 -2.803 3.124 4.093 361 HD12 ILE 41 2HD1 ILE 41 -4.280 2.539 3.329 362 HD13 ILE 41 3HD1 ILE 41 -4.275 2.943 5.045 363 H GLU 42 H GLU 42 -3.786 8.075 5.923 364 HA GLU 42 HA GLU 42 -5.423 8.449 8.197 365 HB2 GLU 42 2HB GLU 42 -3.681 9.933 9.004 366 HB3 GLU 42 1HB GLU 42 -2.958 8.506 8.276 367 HG2 GLU 42 2HG GLU 42 -2.028 9.671 6.576 368 HG3 GLU 42 1HG GLU 42 -3.328 10.860 6.527 369 H GLU 43 H GLU 43 -4.981 10.268 5.263 370 HA GLU 43 HA GLU 43 -6.230 12.660 6.251 371 HB2 GLU 43 2HB GLU 43 -5.987 13.522 4.054 372 HB3 GLU 43 1HB GLU 43 -4.548 12.561 4.356 373 HG2 GLU 43 2HG GLU 43 -5.177 10.910 2.882 374 HG3 GLU 43 1HG GLU 43 -6.883 11.342 2.951 375 H LEU 44 H LEU 44 -7.219 9.746 4.645 376 HA LEU 44 HA LEU 44 -9.711 10.496 3.655 377 HB2 LEU 44 2HB LEU 44 -8.332 8.003 4.327 378 HB3 LEU 44 1HB LEU 44 -10.074 7.891 4.465 379 HG LEU 44 HG LEU 44 -8.504 8.649 2.004 380 HD11 LEU 44 1HD1 LEU 44 -8.408 6.338 2.183 381 HD12 LEU 44 2HD1 LEU 44 -9.822 6.600 1.162 382 HD13 LEU 44 3HD1 LEU 44 -10.028 6.223 2.872 383 HD21 LEU 44 1HD2 LEU 44 -11.009 8.352 1.109 384 HD22 LEU 44 2HD2 LEU 44 -10.336 9.911 1.588 385 HD23 LEU 44 3HD2 LEU 44 -11.350 9.006 2.711 386 H GLY 45 H GLY 45 -11.736 9.155 4.679 387 HA2 GLY 45 2HA GLY 45 -11.879 9.561 7.559 388 HA3 GLY 45 1HA GLY 45 -12.921 10.586 6.583 389 H GLY 46 H GLY 46 -14.830 9.799 5.874 390 HA2 GLY 46 2HA GLY 46 -15.289 6.921 5.840 391 HA3 GLY 46 1HA GLY 46 -16.238 7.842 6.996 392 H GLY 47 H GLY 47 -16.184 6.601 3.914 393 HA2 GLY 47 2HA GLY 47 -18.716 7.498 3.208 394 HA3 GLY 47 1HA GLY 47 -17.574 8.611 2.470 395 H GLY 48 H GLY 48 -17.966 8.047 0.355 396 HA2 GLY 48 2HA GLY 48 -17.688 5.234 -0.406 397 HA3 GLY 48 1HA GLY 48 -18.263 6.533 -1.438 398 H GLU 49 H GLU 49 -15.467 7.379 0.287 399 HA GLU 49 HA GLU 49 -13.886 7.152 -2.154 400 HB2 GLU 49 2HB GLU 49 -14.110 9.308 -0.799 401 HB3 GLU 49 1HB GLU 49 -13.071 8.537 0.393 402 HG2 GLU 49 2HG GLU 49 -11.228 8.628 -0.946 403 HG3 GLU 49 1HG GLU 49 -12.171 8.607 -2.434 404 H VAL 50 H VAL 50 -14.146 5.807 1.024 405 HA VAL 50 HA VAL 50 -11.569 4.866 1.469 406 HB VAL 50 HB VAL 50 -14.113 3.404 2.182 407 HG11 VAL 50 1HG1 VAL 50 -12.837 2.463 3.997 408 HG12 VAL 50 2HG1 VAL 50 -11.425 3.419 3.549 409 HG13 VAL 50 3HG1 VAL 50 -12.004 2.143 2.476 410 HG21 VAL 50 1HG2 VAL 50 -14.598 4.935 3.733 411 HG22 VAL 50 2HG2 VAL 50 -13.478 5.998 2.881 412 HG23 VAL 50 3HG2 VAL 50 -12.920 5.051 4.261 413 H LYS 51 H LYS 51 -13.922 3.826 -0.836 414 HA LYS 51 HA LYS 51 -12.830 1.205 -1.241 415 HB2 LYS 51 2HB LYS 51 -14.956 2.865 -2.473 416 HB3 LYS 51 1HB LYS 51 -14.234 1.631 -3.497 417 HG2 LYS 51 2HG LYS 51 -15.847 0.346 -2.608 418 HG3 LYS 51 1HG LYS 51 -14.689 0.177 -1.287 419 HD2 LYS 51 2HD LYS 51 -15.783 1.899 -0.025 420 HD3 LYS 51 1HD LYS 51 -16.837 2.292 -1.386 421 HE2 LYS 51 2HE LYS 51 -18.227 0.990 -0.091 422 HE3 LYS 51 1HE LYS 51 -17.550 -0.209 -1.192 423 HZ1 LYS 51 1HZ LYS 51 -17.145 -1.289 0.724 424 HZ2 LYS 51 2HZ LYS 51 -17.155 0.116 1.666 425 HZ3 LYS 51 3HZ LYS 51 -15.774 -0.297 0.783 426 H LYS 52 H LYS 52 -12.286 4.389 -2.557 427 HA LYS 52 HA LYS 52 -10.904 3.594 -4.901 428 HB2 LYS 52 2HB LYS 52 -11.785 5.815 -4.785 429 HB3 LYS 52 1HB LYS 52 -10.901 6.155 -3.306 430 HG2 LYS 52 2HG LYS 52 -8.835 6.252 -4.451 431 HG3 LYS 52 1HG LYS 52 -9.537 5.566 -5.917 432 HD2 LYS 52 2HD LYS 52 -10.893 7.989 -5.031 433 HD3 LYS 52 1HD LYS 52 -9.184 8.247 -5.391 434 HE2 LYS 52 2HE LYS 52 -9.813 6.806 -7.529 435 HE3 LYS 52 1HE LYS 52 -11.416 7.457 -7.186 436 HZ1 LYS 52 1HZ LYS 52 -9.736 8.737 -8.705 437 HZ2 LYS 52 2HZ LYS 52 -9.140 9.304 -7.228 438 HZ3 LYS 52 3HZ LYS 52 -10.756 9.576 -7.647 439 H VAL 53 H VAL 53 -9.663 4.879 -1.810 440 HA VAL 53 HA VAL 53 -6.952 4.449 -2.364 441 HB VAL 53 HB VAL 53 -8.223 4.376 0.374 442 HG11 VAL 53 1HG1 VAL 53 -6.078 3.889 0.879 443 HG12 VAL 53 2HG1 VAL 53 -5.858 5.628 0.679 444 HG13 VAL 53 3HG1 VAL 53 -5.461 4.531 -0.643 445 HG21 VAL 53 1HG2 VAL 53 -7.462 6.703 -1.375 446 HG22 VAL 53 2HG2 VAL 53 -7.656 6.843 0.373 447 HG23 VAL 53 3HG2 VAL 53 -9.024 6.361 -0.631 448 H GLU 54 H GLU 54 -9.439 2.297 -1.203 449 HA GLU 54 HA GLU 54 -7.809 0.262 -0.149 450 HB2 GLU 54 2HB GLU 54 -10.254 0.411 0.210 451 HB3 GLU 54 1HB GLU 54 -10.512 -0.006 -1.479 452 HG2 GLU 54 2HG GLU 54 -10.810 -2.035 -0.473 453 HG3 GLU 54 1HG GLU 54 -9.096 -2.112 -0.877 454 H GLU 55 H GLU 55 -8.800 1.044 -3.410 455 HA GLU 55 HA GLU 55 -7.851 -1.410 -4.558 456 HB2 GLU 55 2HB GLU 55 -9.665 -0.089 -5.591 457 HB3 GLU 55 1HB GLU 55 -8.528 1.218 -5.892 458 HG2 GLU 55 2HG GLU 55 -7.984 0.303 -7.825 459 HG3 GLU 55 1HG GLU 55 -7.418 -1.140 -6.987 460 H GLU 56 H GLU 56 -6.514 1.714 -3.835 461 HA GLU 56 HA GLU 56 -4.273 1.603 -5.567 462 HB2 GLU 56 2HB GLU 56 -5.050 3.210 -3.176 463 HB3 GLU 56 1HB GLU 56 -3.364 3.230 -3.675 464 HG2 GLU 56 2HG GLU 56 -4.450 3.720 -6.036 465 HG3 GLU 56 1HG GLU 56 -5.761 4.328 -5.027 466 H VAL 57 H VAL 57 -4.949 0.277 -2.422 467 HA VAL 57 HA VAL 57 -2.192 -0.383 -1.856 468 HB VAL 57 HB VAL 57 -4.658 -1.381 -0.429 469 HG11 VAL 57 1HG1 VAL 57 -3.027 -1.533 1.484 470 HG12 VAL 57 2HG1 VAL 57 -1.744 -1.248 0.307 471 HG13 VAL 57 3HG1 VAL 57 -2.767 -2.678 0.168 472 HG21 VAL 57 1HG2 VAL 57 -3.756 1.277 -0.627 473 HG22 VAL 57 2HG2 VAL 57 -3.293 0.709 0.978 474 HG23 VAL 57 3HG2 VAL 57 -4.978 0.626 0.464 475 H LYS 58 H LYS 58 -4.938 -1.864 -3.344 476 HA LYS 58 HA LYS 58 -4.074 -4.567 -3.097 477 HB2 LYS 58 2HB LYS 58 -6.305 -3.128 -4.277 478 HB3 LYS 58 1HB LYS 58 -5.760 -4.445 -5.307 479 HG2 LYS 58 2HG LYS 58 -6.171 -6.055 -3.639 480 HG3 LYS 58 1HG LYS 58 -6.346 -4.825 -2.387 481 HD2 LYS 58 2HD LYS 58 -8.505 -4.478 -2.877 482 HD3 LYS 58 1HD LYS 58 -8.200 -4.475 -4.615 483 HE2 LYS 58 2HE LYS 58 -9.343 -6.405 -4.603 484 HE3 LYS 58 1HE LYS 58 -7.837 -7.102 -4.010 485 HZ1 LYS 58 1HZ LYS 58 -9.850 -7.681 -2.691 486 HZ2 LYS 58 2HZ LYS 58 -9.967 -6.058 -2.229 487 HZ3 LYS 58 3HZ LYS 58 -8.611 -6.967 -1.786 488 H LYS 59 H LYS 59 -3.443 -1.993 -5.358 489 HA LYS 59 HA LYS 59 -2.475 -3.671 -7.460 490 HB2 LYS 59 2HB LYS 59 -3.343 -1.462 -7.964 491 HB3 LYS 59 1HB LYS 59 -2.118 -0.715 -6.947 492 HG2 LYS 59 2HG LYS 59 -0.771 -2.319 -8.846 493 HG3 LYS 59 1HG LYS 59 -1.989 -1.379 -9.710 494 HD2 LYS 59 2HD LYS 59 -0.391 0.073 -7.689 495 HD3 LYS 59 1HD LYS 59 0.467 -0.447 -9.139 496 HE2 LYS 59 2HE LYS 59 -0.466 1.170 -10.348 497 HE3 LYS 59 1HE LYS 59 -2.083 0.698 -9.829 498 HZ1 LYS 59 1HZ LYS 59 -1.345 1.933 -7.659 499 HZ2 LYS 59 2HZ LYS 59 -1.962 2.793 -8.978 500 HZ3 LYS 59 3HZ LYS 59 -0.292 2.731 -8.716 501 H LEU 60 H LEU 60 -0.898 -1.773 -4.898 502 HA LEU 60 HA LEU 60 1.735 -2.417 -5.796 503 HB2 LEU 60 2HB LEU 60 0.949 -0.432 -4.336 504 HB3 LEU 60 1HB LEU 60 1.097 -1.557 -2.997 505 HG LEU 60 HG LEU 60 3.466 -1.555 -4.682 506 HD11 LEU 60 1HD1 LEU 60 3.020 0.987 -3.170 507 HD12 LEU 60 2HD1 LEU 60 2.573 0.838 -4.870 508 HD13 LEU 60 3HD1 LEU 60 4.248 0.605 -4.376 509 HD21 LEU 60 1HD2 LEU 60 3.005 -0.996 -1.757 510 HD22 LEU 60 2HD2 LEU 60 4.572 -1.271 -2.520 511 HD23 LEU 60 3HD2 LEU 60 3.375 -2.565 -2.475 512 H GLU 61 H GLU 61 -0.554 -3.985 -3.730 513 HA GLU 61 HA GLU 61 1.282 -5.591 -2.279 514 HB2 GLU 61 2HB GLU 61 -1.406 -5.073 -2.130 515 HB3 GLU 61 1HB GLU 61 -1.388 -6.718 -2.745 516 HG2 GLU 61 2HG GLU 61 0.451 -6.816 -0.717 517 HG3 GLU 61 1HG GLU 61 -0.762 -5.696 -0.098 518 H GLU 62 H GLU 62 -0.888 -6.356 -4.994 519 HA GLU 62 HA GLU 62 0.072 -8.942 -5.470 520 HB2 GLU 62 2HB GLU 62 -2.000 -7.505 -6.404 521 HB3 GLU 62 1HB GLU 62 -0.914 -7.359 -7.779 522 HG2 GLU 62 2HG GLU 62 -0.719 -9.856 -7.770 523 HG3 GLU 62 1HG GLU 62 -2.000 -9.880 -6.560 524 H GLU 63 H GLU 63 1.292 -5.826 -6.389 525 HA GLU 63 HA GLU 63 2.883 -6.559 -8.579 526 HB2 GLU 63 2HB GLU 63 2.377 -4.229 -7.105 527 HB3 GLU 63 1HB GLU 63 4.112 -4.479 -6.987 528 HG2 GLU 63 2HG GLU 63 2.713 -4.608 -9.628 529 HG3 GLU 63 1HG GLU 63 3.189 -3.064 -8.919 530 H ILE 64 H ILE 64 3.894 -6.038 -5.200 531 HA ILE 64 HA ILE 64 6.510 -6.890 -5.414 532 HB ILE 64 HB ILE 64 4.738 -7.355 -3.012 533 HG12 ILE 64 2HG1 ILE 64 6.309 -4.895 -3.820 534 HG13 ILE 64 1HG1 ILE 64 4.557 -5.027 -3.741 535 HG21 ILE 64 1HG2 ILE 64 6.925 -6.988 -1.803 536 HG22 ILE 64 2HG2 ILE 64 7.717 -7.135 -3.372 537 HG23 ILE 64 3HG2 ILE 64 6.794 -8.489 -2.721 538 HD11 ILE 64 1HD1 ILE 64 5.787 -3.870 -1.819 539 HD12 ILE 64 2HD1 ILE 64 6.245 -5.498 -1.318 540 HD13 ILE 64 3HD1 ILE 64 4.541 -5.053 -1.419 541 H LYS 65 H LYS 65 3.597 -8.775 -5.395 542 HA LYS 65 HA LYS 65 4.668 -11.253 -4.587 543 HB2 LYS 65 2HB LYS 65 2.179 -10.263 -5.678 544 HB3 LYS 65 1HB LYS 65 2.612 -11.797 -6.419 545 HG2 LYS 65 2HG LYS 65 1.778 -12.824 -4.648 546 HG3 LYS 65 1HG LYS 65 3.078 -12.126 -3.680 547 HD2 LYS 65 2HD LYS 65 1.310 -10.042 -3.871 548 HD3 LYS 65 1HD LYS 65 0.235 -11.440 -3.788 549 HE2 LYS 65 2HE LYS 65 2.462 -10.834 -1.846 550 HE3 LYS 65 1HE LYS 65 0.753 -10.505 -1.567 551 HZ1 LYS 65 1HZ LYS 65 0.653 -13.083 -2.189 552 HZ2 LYS 65 2HZ LYS 65 0.841 -12.523 -0.604 553 HZ3 LYS 65 3HZ LYS 65 2.192 -13.027 -1.488 554 H LYS 66 H LYS 66 4.678 -9.553 -7.635 555 HA LYS 66 HA LYS 66 5.378 -11.748 -9.285 556 HB2 LYS 66 2HB LYS 66 5.331 -8.795 -9.544 557 HB3 LYS 66 1HB LYS 66 6.399 -9.656 -10.643 558 HG2 LYS 66 2HG LYS 66 4.197 -11.134 -10.955 559 HG3 LYS 66 1HG LYS 66 3.450 -9.596 -10.516 560 HD2 LYS 66 2HD LYS 66 4.274 -8.513 -12.385 561 HD3 LYS 66 1HD LYS 66 5.603 -9.656 -12.587 562 HE2 LYS 66 2HE LYS 66 4.078 -10.094 -14.341 563 HE3 LYS 66 1HE LYS 66 3.864 -11.389 -13.165 564 HZ1 LYS 66 1HZ LYS 66 1.923 -10.243 -12.302 565 HZ2 LYS 66 2HZ LYS 66 1.743 -10.549 -13.956 566 HZ3 LYS 66 3HZ LYS 66 2.131 -8.991 -13.422 567 H LEU 67 H LEU 67 7.296 -9.263 -7.632 568 HA LEU 67 HA LEU 67 9.782 -10.434 -8.527 569 HB2 LEU 67 2HB LEU 67 10.704 -8.668 -6.877 570 HB3 LEU 67 1HB LEU 67 9.985 -8.141 -8.383 571 HG LEU 67 HG LEU 67 8.173 -8.287 -6.046 572 HD11 LEU 67 1HD1 LEU 67 10.611 -6.628 -6.108 573 HD12 LEU 67 2HD1 LEU 67 9.664 -7.208 -4.739 574 HD13 LEU 67 3HD1 LEU 67 9.115 -5.808 -5.661 575 HD21 LEU 67 1HD2 LEU 67 8.297 -5.837 -7.600 576 HD22 LEU 67 2HD2 LEU 67 6.940 -6.923 -7.307 577 HD23 LEU 67 3HD2 LEU 67 8.074 -7.264 -8.612 578 H6 HTS 101 H6 HTS 68 8.077 3.368 3.610 579 H3 HTS 101 H3 HTS 68 7.977 -0.789 0.964 580 H4 HTS 101 H4 HTS 68 10.130 0.290 1.477 581 H5 HTS 101 H5 HTS 68 10.180 2.366 2.806 582 HO1 HTS 101 HO1 HTS 68 5.796 2.774 4.057 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -16.478 -6.075 13.896 2 H2 GLY 1 2H GLY 1 -15.878 -5.129 15.163 3 H3 GLY 1 3H GLY 1 -14.839 -5.659 13.938 4 HA2 GLY 1 1HA GLY 1 -16.679 -4.359 12.495 5 HA3 GLY 1 2HA GLY 1 -16.671 -3.417 13.978 6 H SER 2 H SER 2 -14.578 -4.713 11.434 7 HA SER 2 HA SER 2 -12.919 -2.308 11.691 8 HB2 SER 2 2HB SER 2 -10.868 -3.628 11.436 9 HB3 SER 2 1HB SER 2 -11.753 -4.128 12.877 10 HG SER 2 HG SER 2 -12.056 -6.031 12.026 11 H ARG 3 H ARG 3 -12.590 -1.333 9.803 12 HA ARG 3 HA ARG 3 -12.660 -2.915 7.337 13 HB2 ARG 3 2HB ARG 3 -14.527 -0.755 8.127 14 HB3 ARG 3 1HB ARG 3 -13.922 -0.688 6.478 15 HG2 ARG 3 2HG ARG 3 -14.856 -3.333 7.325 16 HG3 ARG 3 1HG ARG 3 -16.103 -2.085 7.274 17 HD2 ARG 3 2HD ARG 3 -15.605 -1.601 4.976 18 HD3 ARG 3 1HD ARG 3 -14.208 -2.675 5.006 19 HE ARG 3 HE ARG 3 -16.251 -4.320 5.649 20 HH11 ARG 3 1HH1 ARG 3 -15.752 -2.060 3.036 21 HH12 ARG 3 2HH1 ARG 3 -16.716 -2.954 1.911 22 HH21 ARG 3 1HH2 ARG 3 -17.521 -5.499 4.170 23 HH22 ARG 3 2HH2 ARG 3 -17.721 -4.908 2.554 24 H VAL 4 H VAL 4 -12.391 0.505 8.330 25 HA VAL 4 HA VAL 4 -10.313 0.971 6.383 26 HB VAL 4 HB VAL 4 -11.230 2.850 8.561 27 HG11 VAL 4 1HG1 VAL 4 -9.088 3.139 7.015 28 HG12 VAL 4 2HG1 VAL 4 -10.103 4.503 7.479 29 HG13 VAL 4 3HG1 VAL 4 -10.302 3.756 5.894 30 HG21 VAL 4 1HG2 VAL 4 -13.238 2.655 7.540 31 HG22 VAL 4 2HG2 VAL 4 -12.541 2.013 6.053 32 HG23 VAL 4 3HG2 VAL 4 -12.502 3.747 6.367 33 H LYS 5 H LYS 5 -10.540 0.817 9.922 34 HA LYS 5 HA LYS 5 -7.940 1.547 10.570 35 HB2 LYS 5 2HB LYS 5 -8.279 0.180 12.635 36 HB3 LYS 5 1HB LYS 5 -9.587 1.306 12.298 37 HG2 LYS 5 2HG LYS 5 -10.508 -0.899 11.045 38 HG3 LYS 5 1HG LYS 5 -9.585 -1.631 12.359 39 HD2 LYS 5 2HD LYS 5 -11.744 -1.350 13.233 40 HD3 LYS 5 1HD LYS 5 -10.816 -0.002 13.895 41 HE2 LYS 5 2HE LYS 5 -11.787 0.996 11.514 42 HE3 LYS 5 1HE LYS 5 -13.118 0.007 12.113 43 HZ1 LYS 5 1HZ LYS 5 -13.577 1.927 13.192 44 HZ2 LYS 5 2HZ LYS 5 -11.967 2.446 13.226 45 HZ3 LYS 5 3HZ LYS 5 -12.503 1.281 14.330 46 H ALA 6 H ALA 6 -9.196 -1.467 9.343 47 HA ALA 6 HA ALA 6 -6.820 -2.990 9.859 48 HB1 ALA 6 1HB ALA 6 -7.933 -4.790 8.946 49 HB2 ALA 6 2HB ALA 6 -8.840 -3.791 7.812 50 HB3 ALA 6 3HB ALA 6 -9.275 -3.803 9.521 51 H LEU 7 H LEU 7 -7.960 -0.924 7.327 52 HA LEU 7 HA LEU 7 -6.347 -1.892 5.215 53 HB2 LEU 7 2HB LEU 7 -8.367 -0.103 5.409 54 HB3 LEU 7 1HB LEU 7 -7.001 0.988 5.269 55 HG LEU 7 HG LEU 7 -7.803 -1.146 3.293 56 HD11 LEU 7 1HD1 LEU 7 -9.242 0.586 2.864 57 HD12 LEU 7 2HD1 LEU 7 -7.867 1.047 1.861 58 HD13 LEU 7 3HD1 LEU 7 -8.110 1.813 3.431 59 HD21 LEU 7 1HD2 LEU 7 -5.575 -1.180 2.903 60 HD22 LEU 7 2HD2 LEU 7 -5.309 0.394 3.654 61 HD23 LEU 7 3HD2 LEU 7 -5.941 0.297 2.010 62 H GLU 8 H GLU 8 -5.798 0.460 7.773 63 HA GLU 8 HA GLU 8 -3.359 1.468 6.683 64 HB2 GLU 8 2HB GLU 8 -4.825 1.765 9.263 65 HB3 GLU 8 1HB GLU 8 -3.133 2.237 9.202 66 HG2 GLU 8 2HG GLU 8 -3.619 3.773 7.373 67 HG3 GLU 8 1HG GLU 8 -5.315 3.293 7.417 68 H GLU 9 H GLU 9 -4.176 -1.062 8.992 69 HA GLU 9 HA GLU 9 -1.478 -1.492 9.835 70 HB2 GLU 9 2HB GLU 9 -2.308 -3.297 11.115 71 HB3 GLU 9 1HB GLU 9 -3.568 -2.072 11.148 72 HG2 GLU 9 2HG GLU 9 -5.019 -3.574 10.440 73 HG3 GLU 9 1HG GLU 9 -4.109 -3.728 8.938 74 H LYS 10 H LYS 10 -3.311 -2.476 7.113 75 HA LYS 10 HA LYS 10 -1.917 -4.897 6.546 76 HB2 LYS 10 2HB LYS 10 -4.107 -3.432 5.452 77 HB3 LYS 10 1HB LYS 10 -2.969 -3.761 4.154 78 HG2 LYS 10 2HG LYS 10 -3.013 -6.160 4.804 79 HG3 LYS 10 1HG LYS 10 -4.282 -5.771 5.967 80 HD2 LYS 10 2HD LYS 10 -5.291 -4.635 3.729 81 HD3 LYS 10 1HD LYS 10 -4.400 -5.989 3.032 82 HE2 LYS 10 2HE LYS 10 -5.577 -7.516 4.567 83 HE3 LYS 10 1HE LYS 10 -6.499 -6.150 5.192 84 HZ1 LYS 10 1HZ LYS 10 -7.399 -7.683 3.260 85 HZ2 LYS 10 2HZ LYS 10 -6.538 -6.584 2.305 86 HZ3 LYS 10 3HZ LYS 10 -7.763 -6.031 3.331 87 H VAL 11 H VAL 11 -1.730 -1.613 5.186 88 HA VAL 11 HA VAL 11 0.448 -2.186 3.469 89 HB VAL 11 HB VAL 11 -0.324 0.529 4.529 90 HG11 VAL 11 1HG1 VAL 11 1.083 1.414 3.030 91 HG12 VAL 11 2HG1 VAL 11 0.603 0.276 1.772 92 HG13 VAL 11 3HG1 VAL 11 1.809 -0.192 2.970 93 HG21 VAL 11 1HG2 VAL 11 -2.318 0.113 3.589 94 HG22 VAL 11 2HG2 VAL 11 -1.713 -1.277 2.688 95 HG23 VAL 11 3HG2 VAL 11 -1.467 0.354 2.063 96 H LYS 12 H LYS 12 0.242 -1.208 6.787 97 HA LYS 12 HA LYS 12 2.818 -0.176 7.161 98 HB2 LYS 12 2HB LYS 12 0.597 -0.903 8.802 99 HB3 LYS 12 1HB LYS 12 2.046 -1.609 9.504 100 HG2 LYS 12 2HG LYS 12 2.325 1.188 8.664 101 HG3 LYS 12 1HG LYS 12 1.173 0.909 9.971 102 HD2 LYS 12 2HD LYS 12 3.951 -0.237 10.012 103 HD3 LYS 12 1HD LYS 12 3.592 1.375 10.630 104 HE2 LYS 12 2HE LYS 12 1.712 0.088 11.946 105 HE3 LYS 12 1HE LYS 12 2.776 -1.292 11.678 106 HZ1 LYS 12 1HZ LYS 12 3.168 1.058 13.355 107 HZ2 LYS 12 2HZ LYS 12 4.537 0.465 12.559 108 HZ3 LYS 12 3HZ LYS 12 3.662 -0.542 13.600 109 H ALA 13 H ALA 13 1.611 -3.475 7.124 110 HA ALA 13 HA ALA 13 4.162 -4.603 7.908 111 HB1 ALA 13 1HB ALA 13 2.607 -6.103 8.586 112 HB2 ALA 13 2HB ALA 13 2.791 -6.719 6.943 113 HB3 ALA 13 3HB ALA 13 1.457 -5.634 7.333 114 H LEU 14 H LEU 14 2.506 -3.664 5.075 115 HA LEU 14 HA LEU 14 3.806 -5.225 3.127 116 HB2 LEU 14 2HB LEU 14 1.693 -3.680 3.069 117 HB3 LEU 14 1HB LEU 14 2.839 -2.436 2.623 118 HG LEU 14 HG LEU 14 3.154 -4.841 1.009 119 HD11 LEU 14 1HD1 LEU 14 0.930 -4.038 -0.243 120 HD12 LEU 14 2HD1 LEU 14 0.450 -3.729 1.426 121 HD13 LEU 14 3HD1 LEU 14 0.952 -5.348 0.937 122 HD21 LEU 14 1HD2 LEU 14 2.472 -2.826 -0.674 123 HD22 LEU 14 2HD2 LEU 14 4.105 -3.118 -0.075 124 HD23 LEU 14 3HD2 LEU 14 3.079 -1.920 0.714 125 H GLU 15 H GLU 15 4.747 -2.423 4.924 126 HA GLU 15 HA GLU 15 6.791 -1.526 3.146 127 HB2 GLU 15 2HB GLU 15 5.855 0.107 4.579 128 HB3 GLU 15 1HB GLU 15 6.073 -0.897 6.005 129 HG2 GLU 15 2HG GLU 15 8.523 -0.631 5.760 130 HG3 GLU 15 1HG GLU 15 8.234 0.460 4.406 131 H GLU 16 H GLU 16 6.750 -3.425 6.143 132 HA GLU 16 HA GLU 16 9.469 -3.716 6.548 133 HB2 GLU 16 2HB GLU 16 7.246 -5.702 7.037 134 HB3 GLU 16 1HB GLU 16 8.885 -5.893 7.646 135 HG2 GLU 16 2HG GLU 16 8.083 -3.328 8.420 136 HG3 GLU 16 1HG GLU 16 6.700 -4.378 8.722 137 H LYS 17 H LYS 17 7.460 -5.139 4.109 138 HA LYS 17 HA LYS 17 9.272 -7.241 3.399 139 HB2 LYS 17 2HB LYS 17 6.666 -6.890 2.932 140 HB3 LYS 17 1HB LYS 17 7.289 -6.218 1.432 141 HG2 LYS 17 2HG LYS 17 8.697 -8.479 1.481 142 HG3 LYS 17 1HG LYS 17 7.294 -9.006 2.412 143 HD2 LYS 17 2HD LYS 17 6.315 -7.558 0.193 144 HD3 LYS 17 1HD LYS 17 7.555 -8.657 -0.416 145 HE2 LYS 17 2HE LYS 17 6.301 -10.383 1.129 146 HE3 LYS 17 1HE LYS 17 4.958 -9.260 0.915 147 HZ1 LYS 17 1HZ LYS 17 6.445 -10.174 -1.447 148 HZ2 LYS 17 2HZ LYS 17 4.827 -9.700 -1.314 149 HZ3 LYS 17 3HZ LYS 17 5.313 -11.214 -0.740 150 H VAL 18 H VAL 18 8.340 -4.181 1.814 151 HA VAL 18 HA VAL 18 10.267 -4.347 -0.237 152 HB VAL 18 HB VAL 18 9.226 -1.737 0.808 153 HG11 VAL 18 1HG1 VAL 18 9.429 -1.006 -1.451 154 HG12 VAL 18 2HG1 VAL 18 9.737 -2.649 -2.015 155 HG13 VAL 18 3HG1 VAL 18 10.933 -1.820 -1.018 156 HG21 VAL 18 1HG2 VAL 18 7.313 -2.142 -0.852 157 HG22 VAL 18 2HG2 VAL 18 7.227 -2.954 0.711 158 HG23 VAL 18 3HG2 VAL 18 7.737 -3.849 -0.721 159 H LYS 19 H LYS 19 10.242 -2.401 2.749 160 HA LYS 19 HA LYS 19 12.721 -1.212 2.484 161 HB2 LYS 19 2HB LYS 19 11.114 -2.015 4.889 162 HB3 LYS 19 1HB LYS 19 12.691 -1.259 5.072 163 HG2 LYS 19 2HG LYS 19 11.348 0.347 3.244 164 HG3 LYS 19 1HG LYS 19 10.137 -0.073 4.454 165 HD2 LYS 19 2HD LYS 19 11.154 1.897 5.248 166 HD3 LYS 19 1HD LYS 19 11.867 0.589 6.196 167 HE2 LYS 19 2HE LYS 19 13.746 1.775 5.629 168 HE3 LYS 19 1HE LYS 19 13.675 0.620 4.299 169 HZ1 LYS 19 1HZ LYS 19 13.173 2.221 2.817 170 HZ2 LYS 19 2HZ LYS 19 13.925 3.234 3.943 171 HZ3 LYS 19 3HZ LYS 19 12.238 3.117 3.907 172 H ALA 20 H ALA 20 11.949 -4.490 3.325 173 HA ALA 20 HA ALA 20 14.656 -5.043 4.252 174 HB1 ALA 20 1HB ALA 20 13.784 -7.334 4.647 175 HB2 ALA 20 2HB ALA 20 12.217 -6.800 4.039 176 HB3 ALA 20 3HB ALA 20 12.887 -6.079 5.501 177 H LEU 21 H LEU 21 12.992 -4.977 1.323 178 HA LEU 21 HA LEU 21 14.304 -7.180 0.050 179 HB2 LEU 21 2HB LEU 21 12.117 -5.507 -0.454 180 HB3 LEU 21 1HB LEU 21 13.255 -5.169 -1.735 181 HG LEU 21 HG LEU 21 12.044 -7.844 -1.045 182 HD11 LEU 21 1HD1 LEU 21 11.856 -6.486 -3.692 183 HD12 LEU 21 2HD1 LEU 21 10.800 -5.977 -2.374 184 HD13 LEU 21 3HD1 LEU 21 10.763 -7.647 -2.938 185 HD21 LEU 21 1HD2 LEU 21 14.500 -7.844 -1.799 186 HD22 LEU 21 2HD2 LEU 21 13.873 -7.334 -3.366 187 HD23 LEU 21 3HD2 LEU 21 13.363 -8.872 -2.670 188 H GLY 22 H GLY 22 14.948 -5.850 -2.438 189 HA2 GLY 22 2HA GLY 22 16.626 -3.700 -2.366 190 HA3 GLY 22 1HA GLY 22 17.624 -5.029 -1.796 191 H GLY 23 H GLY 23 16.453 -3.391 -4.501 192 HA2 GLY 23 2HA GLY 23 17.874 -5.208 -6.260 193 HA3 GLY 23 1HA GLY 23 16.146 -5.098 -6.554 194 H GLY 24 H GLY 24 15.689 -3.795 -8.189 195 HA2 GLY 24 2HA GLY 24 16.324 -1.086 -8.289 196 HA3 GLY 24 1HA GLY 24 17.528 -1.925 -9.255 197 H GLY 25 H GLY 25 14.196 -0.970 -9.006 198 HA2 GLY 25 2HA GLY 25 13.517 -0.471 -11.495 199 HA3 GLY 25 1HA GLY 25 13.550 -2.226 -11.569 200 H ARG 26 H ARG 26 11.855 -3.384 -10.779 201 HA ARG 26 HA ARG 26 9.361 -2.173 -10.540 202 HB2 ARG 26 2HB ARG 26 8.495 -4.305 -10.001 203 HB3 ARG 26 1HB ARG 26 9.862 -4.604 -11.064 204 HG2 ARG 26 2HG ARG 26 9.953 -4.806 -8.062 205 HG3 ARG 26 1HG ARG 26 9.732 -6.168 -9.160 206 HD2 ARG 26 2HD ARG 26 11.917 -5.312 -10.259 207 HD3 ARG 26 1HD ARG 26 12.139 -4.441 -8.742 208 HE ARG 26 HE ARG 26 11.564 -7.205 -8.325 209 HH11 ARG 26 1HH1 ARG 26 14.109 -4.958 -9.135 210 HH12 ARG 26 2HH1 ARG 26 15.372 -5.978 -8.532 211 HH21 ARG 26 1HH2 ARG 26 13.223 -8.547 -7.532 212 HH22 ARG 26 2HH2 ARG 26 14.869 -8.016 -7.621 213 H ILE 27 H ILE 27 11.803 -2.763 -8.148 214 HA ILE 27 HA ILE 27 10.108 -2.474 -5.875 215 HB ILE 27 HB ILE 27 13.103 -2.129 -6.026 216 HG12 ILE 27 2HG1 ILE 27 11.757 -4.615 -5.050 217 HG13 ILE 27 1HG1 ILE 27 11.931 -4.368 -6.784 218 HG21 ILE 27 1HG2 ILE 27 11.362 -2.819 -3.664 219 HG22 ILE 27 2HG2 ILE 27 12.003 -1.210 -4.000 220 HG23 ILE 27 3HG2 ILE 27 13.104 -2.545 -3.658 221 HD11 ILE 27 1HD1 ILE 27 14.300 -4.307 -6.613 222 HD12 ILE 27 2HD1 ILE 27 13.735 -5.718 -5.718 223 HD13 ILE 27 3HD1 ILE 27 14.228 -4.263 -4.852 224 H GLU 28 H GLU 28 11.899 -0.288 -7.917 225 HA GLU 28 HA GLU 28 11.994 1.933 -6.184 226 HB2 GLU 28 2HB GLU 28 13.267 1.561 -8.369 227 HB3 GLU 28 1HB GLU 28 11.810 2.108 -9.185 228 HG2 GLU 28 2HG GLU 28 13.498 3.880 -8.887 229 HG3 GLU 28 1HG GLU 28 11.949 4.253 -8.130 230 H GLU 29 H GLU 29 9.750 1.274 -8.893 231 HA GLU 29 HA GLU 29 8.087 3.488 -8.431 232 HB2 GLU 29 2HB GLU 29 8.004 2.336 -10.541 233 HB3 GLU 29 1HB GLU 29 7.530 0.834 -9.763 234 HG2 GLU 29 2HG GLU 29 5.607 1.768 -10.808 235 HG3 GLU 29 1HG GLU 29 5.411 1.934 -9.064 236 H LEU 30 H LEU 30 8.060 0.245 -7.091 237 HA LEU 30 HA LEU 30 5.504 0.431 -5.872 238 HB2 LEU 30 2HB LEU 30 7.868 -1.358 -5.337 239 HB3 LEU 30 1HB LEU 30 6.332 -1.520 -4.506 240 HG LEU 30 HG LEU 30 6.680 -1.749 -7.496 241 HD11 LEU 30 1HD1 LEU 30 7.631 -3.545 -5.732 242 HD12 LEU 30 2HD1 LEU 30 6.987 -3.973 -7.317 243 HD13 LEU 30 3HD1 LEU 30 5.967 -4.109 -5.885 244 HD21 LEU 30 1HD2 LEU 30 4.343 -2.798 -5.987 245 HD22 LEU 30 2HD2 LEU 30 4.449 -2.215 -7.647 246 HD23 LEU 30 3HD2 LEU 30 4.427 -1.068 -6.310 247 H LYS 31 H LYS 31 8.602 1.652 -5.004 248 HA LYS 31 HA LYS 31 8.110 1.823 -2.183 249 HB2 LYS 31 2HB LYS 31 10.387 1.699 -3.110 250 HB3 LYS 31 1HB LYS 31 10.151 3.253 -3.896 251 HG2 LYS 31 2HG LYS 31 10.573 4.400 -2.027 252 HG3 LYS 31 1HG LYS 31 9.628 3.296 -1.024 253 HD2 LYS 31 2HD LYS 31 11.425 1.886 -0.654 254 HD3 LYS 31 1HD LYS 31 12.268 2.414 -2.113 255 HE2 LYS 31 2HE LYS 31 12.213 4.729 -0.746 256 HE3 LYS 31 1HE LYS 31 12.235 3.588 0.597 257 HZ1 LYS 31 1HZ LYS 31 14.182 2.527 -0.599 258 HZ2 LYS 31 2HZ LYS 31 14.466 4.029 0.123 259 HZ3 LYS 31 3HZ LYS 31 14.241 3.924 -1.550 260 H LYS 32 H LYS 32 8.407 4.342 -4.701 261 HA LYS 32 HA LYS 32 7.612 6.508 -3.184 262 HB2 LYS 32 2HB LYS 32 8.387 6.197 -5.739 263 HB3 LYS 32 1HB LYS 32 6.665 6.440 -5.994 264 HG2 LYS 32 2HG LYS 32 7.135 8.471 -4.323 265 HG3 LYS 32 1HG LYS 32 8.732 8.331 -5.063 266 HD2 LYS 32 2HD LYS 32 6.512 8.204 -6.970 267 HD3 LYS 32 1HD LYS 32 6.628 9.735 -6.102 268 HE2 LYS 32 2HE LYS 32 8.683 10.242 -6.991 269 HE3 LYS 32 1HE LYS 32 9.105 8.551 -7.254 270 HZ1 LYS 32 1HZ LYS 32 8.710 9.331 -9.375 271 HZ2 LYS 32 2HZ LYS 32 7.415 10.312 -8.904 272 HZ3 LYS 32 3HZ LYS 32 7.219 8.634 -8.980 273 H LYS 33 H LYS 33 5.620 4.139 -4.853 274 HA LYS 33 HA LYS 33 3.159 5.527 -4.355 275 HB2 LYS 33 2HB LYS 33 3.966 3.514 -6.076 276 HB3 LYS 33 1HB LYS 33 2.904 2.686 -4.947 277 HG2 LYS 33 2HG LYS 33 2.226 5.089 -6.627 278 HG3 LYS 33 1HG LYS 33 1.634 3.439 -6.838 279 HD2 LYS 33 2HD LYS 33 1.166 5.051 -4.338 280 HD3 LYS 33 1HD LYS 33 0.046 5.040 -5.702 281 HE2 LYS 33 2HE LYS 33 0.938 2.442 -4.549 282 HE3 LYS 33 1HE LYS 33 -0.260 3.392 -3.672 283 HZ1 LYS 33 1HZ LYS 33 -0.662 2.903 -6.538 284 HZ2 LYS 33 2HZ LYS 33 -1.809 3.127 -5.315 285 HZ3 LYS 33 3HZ LYS 33 -0.990 1.652 -5.448 286 H CYS 34 H CYS 34 5.073 3.202 -2.657 287 HA CYS 34 HA CYS 34 3.087 2.004 -1.059 288 HB2 CYS 34 2HB CYS 34 5.849 1.807 -1.375 289 HB3 CYS 34 1HB CYS 34 5.646 2.302 0.294 290 H GLU 35 H GLU 35 5.400 4.568 -0.163 291 HA GLU 35 HA GLU 35 4.224 5.092 2.336 292 HB2 GLU 35 2HB GLU 35 5.597 7.193 2.268 293 HB3 GLU 35 1HB GLU 35 6.494 5.702 2.017 294 HG2 GLU 35 2HG GLU 35 7.255 6.431 0.082 295 HG3 GLU 35 1HG GLU 35 5.614 6.695 -0.499 296 H GLU 36 H GLU 36 3.800 6.639 -0.811 297 HA GLU 36 HA GLU 36 2.255 8.812 0.067 298 HB2 GLU 36 2HB GLU 36 3.299 8.089 -2.315 299 HB3 GLU 36 1HB GLU 36 1.614 7.667 -2.587 300 HG2 GLU 36 2HG GLU 36 1.686 9.829 -3.345 301 HG3 GLU 36 1HG GLU 36 1.142 10.052 -1.683 302 H LEU 37 H LEU 37 1.462 5.491 -0.506 303 HA LEU 37 HA LEU 37 -1.346 5.783 -0.738 304 HB2 LEU 37 2HB LEU 37 0.133 3.822 -1.436 305 HB3 LEU 37 1HB LEU 37 0.099 3.334 0.244 306 HG LEU 37 HG LEU 37 -1.792 2.789 -1.833 307 HD11 LEU 37 1HD1 LEU 37 -2.102 0.967 -0.599 308 HD12 LEU 37 2HD1 LEU 37 -2.468 1.896 0.854 309 HD13 LEU 37 3HD1 LEU 37 -0.791 1.579 0.408 310 HD21 LEU 37 1HD2 LEU 37 -3.875 3.361 -0.781 311 HD22 LEU 37 2HD2 LEU 37 -2.942 4.835 -1.031 312 HD23 LEU 37 3HD2 LEU 37 -3.036 4.110 0.574 313 H LYS 38 H LYS 38 0.665 4.648 1.987 314 HA LYS 38 HA LYS 38 -1.312 4.275 3.863 315 HB2 LYS 38 2HB LYS 38 1.473 4.297 3.857 316 HB3 LYS 38 1HB LYS 38 1.034 5.499 5.062 317 HG2 LYS 38 2HG LYS 38 -0.481 3.751 6.073 318 HG3 LYS 38 1HG LYS 38 0.303 2.587 5.002 319 HD2 LYS 38 2HD LYS 38 2.043 4.344 6.648 320 HD3 LYS 38 1HD LYS 38 1.173 3.045 7.469 321 HE2 LYS 38 2HE LYS 38 2.978 1.827 6.886 322 HE3 LYS 38 1HE LYS 38 2.137 1.703 5.341 323 HZ1 LYS 38 1HZ LYS 38 4.641 2.563 5.591 324 HZ2 LYS 38 2HZ LYS 38 3.824 4.042 5.674 325 HZ3 LYS 38 3HZ LYS 38 3.618 3.037 4.330 326 H LYS 39 H LYS 39 0.628 7.243 3.509 327 HA LYS 39 HA LYS 39 -0.642 8.819 5.370 328 HB2 LYS 39 2HB LYS 39 0.212 10.740 4.164 329 HB3 LYS 39 1HB LYS 39 1.412 9.456 4.155 330 HG2 LYS 39 2HG LYS 39 0.630 8.841 1.869 331 HG3 LYS 39 1HG LYS 39 -0.391 10.280 1.894 332 HD2 LYS 39 2HD LYS 39 2.614 10.227 2.168 333 HD3 LYS 39 1HD LYS 39 1.711 10.716 0.734 334 HE2 LYS 39 2HE LYS 39 1.850 12.790 1.556 335 HE3 LYS 39 1HE LYS 39 0.610 12.280 2.702 336 HZ1 LYS 39 1HZ LYS 39 2.940 13.294 3.443 337 HZ2 LYS 39 2HZ LYS 39 3.360 11.657 3.414 338 HZ3 LYS 39 3HZ LYS 39 2.082 12.183 4.388 339 H LYS 40 H LYS 40 -1.764 7.876 2.212 340 HA LYS 40 HA LYS 40 -3.766 9.884 1.953 341 HB2 LYS 40 2HB LYS 40 -2.754 8.424 0.106 342 HB3 LYS 40 1HB LYS 40 -3.852 7.165 0.656 343 HG2 LYS 40 2HG LYS 40 -5.753 8.406 0.047 344 HG3 LYS 40 1HG LYS 40 -4.818 9.892 -0.138 345 HD2 LYS 40 2HD LYS 40 -5.210 9.164 -2.333 346 HD3 LYS 40 1HD LYS 40 -3.555 8.658 -1.986 347 HE2 LYS 40 2HE LYS 40 -4.072 6.518 -2.306 348 HE3 LYS 40 1HE LYS 40 -5.433 6.621 -1.191 349 HZ1 LYS 40 1HZ LYS 40 -6.150 5.985 -3.407 350 HZ2 LYS 40 2HZ LYS 40 -5.485 7.397 -4.058 351 HZ3 LYS 40 3HZ LYS 40 -6.792 7.494 -2.990 352 H ILE 41 H ILE 41 -3.611 6.795 3.550 353 HA ILE 41 HA ILE 41 -6.443 6.475 3.849 354 HB ILE 41 HB ILE 41 -4.364 5.190 5.608 355 HG12 ILE 41 2HG1 ILE 41 -5.229 4.368 2.825 356 HG13 ILE 41 1HG1 ILE 41 -3.611 4.851 3.324 357 HG21 ILE 41 1HG2 ILE 41 -7.136 4.429 4.714 358 HG22 ILE 41 2HG2 ILE 41 -6.588 4.800 6.349 359 HG23 ILE 41 3HG2 ILE 41 -6.044 3.324 5.550 360 HD11 ILE 41 1HD1 ILE 41 -4.445 2.685 4.962 361 HD12 ILE 41 2HD1 ILE 41 -3.122 2.753 3.798 362 HD13 ILE 41 3HD1 ILE 41 -4.734 2.267 3.273 363 H GLU 42 H GLU 42 -3.877 7.998 5.665 364 HA GLU 42 HA GLU 42 -5.304 8.314 8.101 365 HB2 GLU 42 2HB GLU 42 -2.904 9.706 6.921 366 HB3 GLU 42 1HB GLU 42 -3.573 10.163 8.482 367 HG2 GLU 42 2HG GLU 42 -3.175 7.925 9.332 368 HG3 GLU 42 1HG GLU 42 -2.554 7.424 7.760 369 H GLU 43 H GLU 43 -5.033 10.176 5.146 370 HA GLU 43 HA GLU 43 -6.347 12.504 6.146 371 HB2 GLU 43 2HB GLU 43 -6.308 13.303 3.904 372 HB3 GLU 43 1HB GLU 43 -4.800 12.436 4.153 373 HG2 GLU 43 2HG GLU 43 -5.279 10.900 2.600 374 HG3 GLU 43 1HG GLU 43 -6.981 10.817 3.042 375 H LEU 44 H LEU 44 -7.355 9.507 4.721 376 HA LEU 44 HA LEU 44 -9.925 10.144 3.860 377 HB2 LEU 44 2HB LEU 44 -8.450 7.715 4.586 378 HB3 LEU 44 1HB LEU 44 -10.182 7.580 4.809 379 HG LEU 44 HG LEU 44 -8.866 8.413 2.224 380 HD11 LEU 44 1HD1 LEU 44 -9.579 6.138 1.464 381 HD12 LEU 44 2HD1 LEU 44 -9.889 5.739 3.152 382 HD13 LEU 44 3HD1 LEU 44 -8.256 6.148 2.629 383 HD21 LEU 44 1HD2 LEU 44 -11.608 7.334 2.316 384 HD22 LEU 44 2HD2 LEU 44 -10.926 8.625 1.327 385 HD23 LEU 44 3HD2 LEU 44 -11.386 8.945 3.000 386 H GLY 45 H GLY 45 -11.829 8.769 5.096 387 HA2 GLY 45 2HA GLY 45 -11.805 9.372 7.947 388 HA3 GLY 45 1HA GLY 45 -12.960 10.270 6.975 389 H GLY 46 H GLY 46 -14.586 9.052 5.796 390 HA2 GLY 46 2HA GLY 46 -14.981 6.278 6.182 391 HA3 GLY 46 1HA GLY 46 -15.906 7.175 7.376 392 H GLY 47 H GLY 47 -15.236 8.162 4.052 393 HA2 GLY 47 2HA GLY 47 -18.140 8.244 3.597 394 HA3 GLY 47 1HA GLY 47 -16.943 9.180 2.715 395 H GLY 48 H GLY 48 -18.066 8.396 0.801 396 HA2 GLY 48 2HA GLY 48 -17.808 5.565 0.193 397 HA3 GLY 48 1HA GLY 48 -18.565 6.784 -0.819 398 H GLU 49 H GLU 49 -15.560 7.850 0.248 399 HA GLU 49 HA GLU 49 -14.409 7.301 -2.380 400 HB2 GLU 49 2HB GLU 49 -14.422 9.626 -1.568 401 HB3 GLU 49 1HB GLU 49 -13.459 9.144 -0.179 402 HG2 GLU 49 2HG GLU 49 -11.663 9.642 -1.371 403 HG3 GLU 49 1HG GLU 49 -12.018 8.229 -2.363 404 H VAL 50 H VAL 50 -14.098 6.386 0.931 405 HA VAL 50 HA VAL 50 -11.459 5.609 1.143 406 HB VAL 50 HB VAL 50 -13.068 5.535 3.005 407 HG11 VAL 50 1HG1 VAL 50 -14.770 4.283 1.409 408 HG12 VAL 50 2HG1 VAL 50 -14.829 4.100 3.163 409 HG13 VAL 50 3HG1 VAL 50 -14.053 2.864 2.172 410 HG21 VAL 50 1HG2 VAL 50 -12.133 2.745 2.960 411 HG22 VAL 50 2HG2 VAL 50 -11.833 4.026 4.134 412 HG23 VAL 50 3HG2 VAL 50 -10.901 3.964 2.638 413 H LYS 51 H LYS 51 -14.069 4.072 -0.589 414 HA LYS 51 HA LYS 51 -12.965 1.519 -0.930 415 HB2 LYS 51 2HB LYS 51 -14.494 1.281 -2.805 416 HB3 LYS 51 1HB LYS 51 -15.302 2.082 -1.465 417 HG2 LYS 51 2HG LYS 51 -15.142 4.204 -2.541 418 HG3 LYS 51 1HG LYS 51 -14.103 3.543 -3.805 419 HD2 LYS 51 2HD LYS 51 -15.869 2.301 -4.749 420 HD3 LYS 51 1HD LYS 51 -16.890 2.519 -3.327 421 HE2 LYS 51 2HE LYS 51 -17.625 4.527 -4.012 422 HE3 LYS 51 1HE LYS 51 -16.034 5.019 -4.594 423 HZ1 LYS 51 1HZ LYS 51 -18.214 3.723 -6.020 424 HZ2 LYS 51 2HZ LYS 51 -16.655 3.199 -6.413 425 HZ3 LYS 51 3HZ LYS 51 -17.064 4.832 -6.575 426 H LYS 52 H LYS 52 -12.236 4.553 -2.458 427 HA LYS 52 HA LYS 52 -10.947 3.526 -4.766 428 HB2 LYS 52 2HB LYS 52 -11.674 5.805 -4.777 429 HB3 LYS 52 1HB LYS 52 -10.745 6.173 -3.331 430 HG2 LYS 52 2HG LYS 52 -8.705 6.097 -4.492 431 HG3 LYS 52 1HG LYS 52 -9.438 5.309 -5.890 432 HD2 LYS 52 2HD LYS 52 -10.824 7.392 -6.198 433 HD3 LYS 52 1HD LYS 52 -9.813 8.152 -4.967 434 HE2 LYS 52 2HE LYS 52 -7.877 7.969 -6.306 435 HE3 LYS 52 1HE LYS 52 -8.663 6.853 -7.422 436 HZ1 LYS 52 1HZ LYS 52 -8.395 9.450 -7.897 437 HZ2 LYS 52 2HZ LYS 52 -9.909 9.463 -7.142 438 HZ3 LYS 52 3HZ LYS 52 -9.663 8.522 -8.526 439 H VAL 53 H VAL 53 -9.578 4.908 -1.772 440 HA VAL 53 HA VAL 53 -6.907 4.371 -2.275 441 HB VAL 53 HB VAL 53 -8.205 4.219 0.448 442 HG11 VAL 53 1HG1 VAL 53 -5.915 5.276 1.031 443 HG12 VAL 53 2HG1 VAL 53 -5.404 4.623 -0.526 444 HG13 VAL 53 3HG1 VAL 53 -6.006 3.541 0.729 445 HG21 VAL 53 1HG2 VAL 53 -8.964 6.259 -0.430 446 HG22 VAL 53 2HG2 VAL 53 -7.429 6.581 -1.237 447 HG23 VAL 53 3HG2 VAL 53 -7.540 6.683 0.520 448 H GLU 54 H GLU 54 -9.448 2.194 -1.351 449 HA GLU 54 HA GLU 54 -7.863 0.101 -0.311 450 HB2 GLU 54 2HB GLU 54 -10.541 -0.055 -1.709 451 HB3 GLU 54 1HB GLU 54 -9.822 -1.326 -0.730 452 HG2 GLU 54 2HG GLU 54 -9.799 0.846 0.954 453 HG3 GLU 54 1HG GLU 54 -11.312 1.035 0.071 454 H GLU 55 H GLU 55 -8.744 1.064 -3.551 455 HA GLU 55 HA GLU 55 -7.792 -1.341 -4.801 456 HB2 GLU 55 2HB GLU 55 -9.553 -0.010 -5.851 457 HB3 GLU 55 1HB GLU 55 -8.467 1.366 -5.968 458 HG2 GLU 55 2HG GLU 55 -7.425 -1.061 -7.211 459 HG3 GLU 55 1HG GLU 55 -8.923 -0.473 -7.930 460 H GLU 56 H GLU 56 -6.449 1.726 -3.869 461 HA GLU 56 HA GLU 56 -4.153 1.670 -5.533 462 HB2 GLU 56 2HB GLU 56 -4.969 3.166 -3.075 463 HB3 GLU 56 1HB GLU 56 -3.290 3.225 -3.588 464 HG2 GLU 56 2HG GLU 56 -4.585 3.750 -5.918 465 HG3 GLU 56 1HG GLU 56 -5.660 4.494 -4.737 466 H VAL 57 H VAL 57 -4.977 0.218 -2.489 467 HA VAL 57 HA VAL 57 -2.260 -0.506 -1.826 468 HB VAL 57 HB VAL 57 -4.674 -1.734 -0.534 469 HG11 VAL 57 1HG1 VAL 57 -3.232 -1.675 1.452 470 HG12 VAL 57 2HG1 VAL 57 -1.959 -0.921 0.492 471 HG13 VAL 57 3HG1 VAL 57 -2.491 -2.560 0.118 472 HG21 VAL 57 1HG2 VAL 57 -4.079 1.096 -0.637 473 HG22 VAL 57 2HG2 VAL 57 -4.024 0.486 1.015 474 HG23 VAL 57 3HG2 VAL 57 -5.478 0.263 0.042 475 H LYS 58 H LYS 58 -4.947 -1.874 -3.518 476 HA LYS 58 HA LYS 58 -4.120 -4.599 -3.359 477 HB2 LYS 58 2HB LYS 58 -6.303 -3.095 -4.519 478 HB3 LYS 58 1HB LYS 58 -5.711 -4.312 -5.643 479 HG2 LYS 58 2HG LYS 58 -5.922 -5.490 -3.061 480 HG3 LYS 58 1HG LYS 58 -7.430 -4.651 -3.428 481 HD2 LYS 58 2HD LYS 58 -7.575 -5.845 -5.560 482 HD3 LYS 58 1HD LYS 58 -6.063 -6.680 -5.196 483 HE2 LYS 58 2HE LYS 58 -7.026 -8.028 -3.622 484 HE3 LYS 58 1HE LYS 58 -8.260 -6.841 -3.203 485 HZ1 LYS 58 1HZ LYS 58 -8.749 -9.018 -4.641 486 HZ2 LYS 58 2HZ LYS 58 -8.406 -7.932 -5.891 487 HZ3 LYS 58 3HZ LYS 58 -9.645 -7.590 -4.791 488 H LYS 59 H LYS 59 -3.371 -1.929 -5.469 489 HA LYS 59 HA LYS 59 -2.332 -3.526 -7.605 490 HB2 LYS 59 2HB LYS 59 -3.154 -1.291 -8.056 491 HB3 LYS 59 1HB LYS 59 -1.978 -0.597 -6.947 492 HG2 LYS 59 2HG LYS 59 -0.536 -2.121 -8.837 493 HG3 LYS 59 1HG LYS 59 -1.712 -1.154 -9.728 494 HD2 LYS 59 2HD LYS 59 -0.069 0.118 -7.578 495 HD3 LYS 59 1HD LYS 59 0.642 -0.166 -9.168 496 HE2 LYS 59 2HE LYS 59 -1.383 1.022 -10.126 497 HE3 LYS 59 1HE LYS 59 -1.756 1.513 -8.474 498 HZ1 LYS 59 1HZ LYS 59 0.963 2.023 -9.341 499 HZ2 LYS 59 2HZ LYS 59 -0.094 3.002 -8.454 500 HZ3 LYS 59 3HZ LYS 59 -0.226 2.925 -10.139 501 H LEU 60 H LEU 60 -0.842 -1.751 -4.903 502 HA LEU 60 HA LEU 60 1.817 -2.396 -5.726 503 HB2 LEU 60 2HB LEU 60 0.963 -0.457 -4.207 504 HB3 LEU 60 1HB LEU 60 1.133 -1.636 -2.918 505 HG LEU 60 HG LEU 60 3.500 -1.544 -4.592 506 HD11 LEU 60 1HD1 LEU 60 3.822 0.817 -3.129 507 HD12 LEU 60 2HD1 LEU 60 2.292 0.981 -3.989 508 HD13 LEU 60 3HD1 LEU 60 3.771 0.627 -4.881 509 HD21 LEU 60 1HD2 LEU 60 2.971 -1.129 -1.658 510 HD22 LEU 60 2HD2 LEU 60 4.576 -1.224 -2.384 511 HD23 LEU 60 3HD2 LEU 60 3.495 -2.615 -2.450 512 H GLU 61 H GLU 61 -0.557 -3.995 -3.784 513 HA GLU 61 HA GLU 61 1.232 -5.656 -2.329 514 HB2 GLU 61 2HB GLU 61 -1.443 -5.100 -2.185 515 HB3 GLU 61 1HB GLU 61 -1.454 -6.722 -2.856 516 HG2 GLU 61 2HG GLU 61 0.293 -7.104 -0.880 517 HG3 GLU 61 1HG GLU 61 -0.634 -5.774 -0.186 518 H GLU 62 H GLU 62 -0.870 -6.287 -5.127 519 HA GLU 62 HA GLU 62 0.040 -8.892 -5.634 520 HB2 GLU 62 2HB GLU 62 -1.978 -7.379 -6.585 521 HB3 GLU 62 1HB GLU 62 -0.858 -7.249 -7.933 522 HG2 GLU 62 2HG GLU 62 -0.727 -9.799 -7.829 523 HG3 GLU 62 1HG GLU 62 -2.157 -9.698 -6.804 524 H GLU 63 H GLU 63 1.336 -5.776 -6.449 525 HA GLU 63 HA GLU 63 2.971 -6.496 -8.615 526 HB2 GLU 63 2HB GLU 63 2.468 -4.184 -7.087 527 HB3 GLU 63 1HB GLU 63 4.203 -4.449 -6.998 528 HG2 GLU 63 2HG GLU 63 2.925 -4.652 -9.661 529 HG3 GLU 63 1HG GLU 63 3.064 -3.049 -8.938 530 H ILE 64 H ILE 64 3.900 -6.031 -5.204 531 HA ILE 64 HA ILE 64 6.509 -6.946 -5.394 532 HB ILE 64 HB ILE 64 4.719 -7.339 -2.994 533 HG12 ILE 64 2HG1 ILE 64 6.327 -4.908 -3.818 534 HG13 ILE 64 1HG1 ILE 64 4.573 -5.016 -3.763 535 HG21 ILE 64 1HG2 ILE 64 7.581 -7.643 -3.514 536 HG22 ILE 64 2HG2 ILE 64 6.580 -8.320 -2.230 537 HG23 ILE 64 3HG2 ILE 64 7.206 -6.678 -2.086 538 HD11 ILE 64 1HD1 ILE 64 4.614 -5.243 -1.370 539 HD12 ILE 64 2HD1 ILE 64 5.535 -3.816 -1.845 540 HD13 ILE 64 3HD1 ILE 64 6.377 -5.292 -1.373 541 H LYS 65 H LYS 65 3.528 -8.726 -5.337 542 HA LYS 65 HA LYS 65 4.477 -11.227 -4.487 543 HB2 LYS 65 2HB LYS 65 2.068 -10.159 -5.679 544 HB3 LYS 65 1HB LYS 65 2.460 -11.726 -6.372 545 HG2 LYS 65 2HG LYS 65 1.295 -12.500 -4.619 546 HG3 LYS 65 1HG LYS 65 2.817 -12.262 -3.757 547 HD2 LYS 65 2HD LYS 65 2.026 -9.968 -3.157 548 HD3 LYS 65 1HD LYS 65 0.463 -10.379 -3.865 549 HE2 LYS 65 2HE LYS 65 0.244 -12.238 -2.282 550 HE3 LYS 65 1HE LYS 65 1.800 -11.810 -1.570 551 HZ1 LYS 65 1HZ LYS 65 -0.517 -10.939 -0.628 552 HZ2 LYS 65 2HZ LYS 65 -0.178 -9.683 -1.709 553 HZ3 LYS 65 3HZ LYS 65 0.922 -10.061 -0.481 554 H LYS 66 H LYS 66 4.541 -9.636 -7.612 555 HA LYS 66 HA LYS 66 5.229 -11.878 -9.176 556 HB2 LYS 66 2HB LYS 66 5.805 -8.940 -9.590 557 HB3 LYS 66 1HB LYS 66 6.083 -10.182 -10.804 558 HG2 LYS 66 2HG LYS 66 3.503 -10.672 -10.203 559 HG3 LYS 66 1HG LYS 66 3.576 -8.932 -9.913 560 HD2 LYS 66 2HD LYS 66 3.087 -8.918 -12.143 561 HD3 LYS 66 1HD LYS 66 4.849 -8.970 -12.235 562 HE2 LYS 66 2HE LYS 66 4.877 -11.221 -12.807 563 HE3 LYS 66 1HE LYS 66 3.262 -11.505 -12.162 564 HZ1 LYS 66 1HZ LYS 66 2.719 -9.753 -14.083 565 HZ2 LYS 66 2HZ LYS 66 2.716 -11.426 -14.329 566 HZ3 LYS 66 3HZ LYS 66 4.069 -10.510 -14.767 567 H LEU 67 H LEU 67 7.302 -9.283 -7.875 568 HA LEU 67 HA LEU 67 9.719 -10.611 -8.580 569 HB2 LEU 67 2HB LEU 67 10.709 -8.866 -6.998 570 HB3 LEU 67 1HB LEU 67 9.905 -8.294 -8.443 571 HG LEU 67 HG LEU 67 8.163 -8.483 -6.084 572 HD11 LEU 67 1HD1 LEU 67 9.070 -6.371 -5.118 573 HD12 LEU 67 2HD1 LEU 67 10.497 -6.581 -6.133 574 HD13 LEU 67 3HD1 LEU 67 10.110 -7.778 -4.897 575 HD21 LEU 67 1HD2 LEU 67 8.168 -7.211 -8.548 576 HD22 LEU 67 2HD2 LEU 67 8.434 -5.911 -7.388 577 HD23 LEU 67 3HD2 LEU 67 7.023 -6.954 -7.235 578 H6 HTS 101 H6 HTS 68 7.937 3.683 3.297 579 H3 HTS 101 H3 HTS 68 7.863 -0.819 1.288 580 H4 HTS 101 H4 HTS 68 10.010 0.345 1.625 581 H5 HTS 101 H5 HTS 68 10.044 2.592 2.639 582 HO1 HTS 101 HO1 HTS 68 5.570 3.575 2.835 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -11.946 -6.875 13.449 2 H2 GLY 1 2H GLY 1 -12.812 -8.023 14.340 3 H3 GLY 1 3H GLY 1 -12.521 -6.490 14.994 4 HA2 GLY 1 1HA GLY 1 -14.241 -7.117 12.657 5 HA3 GLY 1 2HA GLY 1 -14.793 -6.619 14.249 6 H SER 2 H SER 2 -12.749 -5.546 11.548 7 HA SER 2 HA SER 2 -13.897 -2.879 11.799 8 HB2 SER 2 2HB SER 2 -10.913 -3.388 11.863 9 HB3 SER 2 1HB SER 2 -11.667 -1.802 11.710 10 HG SER 2 HG SER 2 -12.762 -2.402 13.761 11 H ARG 3 H ARG 3 -12.839 -1.448 9.964 12 HA ARG 3 HA ARG 3 -12.553 -3.092 7.541 13 HB2 ARG 3 2HB ARG 3 -14.832 -1.717 8.106 14 HB3 ARG 3 1HB ARG 3 -13.931 -0.503 7.209 15 HG2 ARG 3 2HG ARG 3 -13.589 -2.669 5.620 16 HG3 ARG 3 1HG ARG 3 -15.191 -2.987 6.288 17 HD2 ARG 3 2HD ARG 3 -15.647 -0.502 5.673 18 HD3 ARG 3 1HD ARG 3 -14.258 -0.698 4.604 19 HE ARG 3 HE ARG 3 -16.247 -2.755 4.316 20 HH11 ARG 3 1HH1 ARG 3 -15.254 0.431 3.297 21 HH12 ARG 3 2HH1 ARG 3 -16.114 0.356 1.795 22 HH21 ARG 3 1HH2 ARG 3 -17.378 -2.857 2.341 23 HH22 ARG 3 2HH2 ARG 3 -17.320 -1.510 1.254 24 H VAL 4 H VAL 4 -12.511 0.373 8.397 25 HA VAL 4 HA VAL 4 -10.365 0.925 6.596 26 HB VAL 4 HB VAL 4 -11.331 2.688 8.849 27 HG11 VAL 4 1HG1 VAL 4 -9.532 3.831 8.092 28 HG12 VAL 4 2HG1 VAL 4 -10.671 4.351 6.851 29 HG13 VAL 4 3HG1 VAL 4 -9.549 3.032 6.520 30 HG21 VAL 4 1HG2 VAL 4 -13.320 2.508 7.787 31 HG22 VAL 4 2HG2 VAL 4 -12.589 1.965 6.277 32 HG23 VAL 4 3HG2 VAL 4 -12.586 3.679 6.692 33 H LYS 5 H LYS 5 -10.624 0.573 10.114 34 HA LYS 5 HA LYS 5 -8.041 1.316 10.826 35 HB2 LYS 5 2HB LYS 5 -9.733 -0.842 12.099 36 HB3 LYS 5 1HB LYS 5 -8.378 -0.013 12.852 37 HG2 LYS 5 2HG LYS 5 -9.576 2.064 12.859 38 HG3 LYS 5 1HG LYS 5 -10.896 1.352 11.929 39 HD2 LYS 5 2HD LYS 5 -11.063 -0.321 13.894 40 HD3 LYS 5 1HD LYS 5 -10.122 0.876 14.786 41 HE2 LYS 5 2HE LYS 5 -12.385 1.357 15.251 42 HE3 LYS 5 1HE LYS 5 -11.862 2.572 14.086 43 HZ1 LYS 5 1HZ LYS 5 -14.014 1.731 13.478 44 HZ2 LYS 5 2HZ LYS 5 -13.454 0.135 13.495 45 HZ3 LYS 5 3HZ LYS 5 -12.884 1.219 12.327 46 H ALA 6 H ALA 6 -9.242 -1.653 9.444 47 HA ALA 6 HA ALA 6 -6.813 -3.131 9.889 48 HB1 ALA 6 1HB ALA 6 -8.084 -4.609 8.052 49 HB2 ALA 6 2HB ALA 6 -9.445 -3.665 8.659 50 HB3 ALA 6 3HB ALA 6 -8.488 -4.647 9.768 51 H LEU 7 H LEU 7 -8.095 -1.052 7.435 52 HA LEU 7 HA LEU 7 -6.512 -1.929 5.259 53 HB2 LEU 7 2HB LEU 7 -8.579 -0.193 5.556 54 HB3 LEU 7 1HB LEU 7 -7.243 0.925 5.366 55 HG LEU 7 HG LEU 7 -8.019 -1.242 3.413 56 HD11 LEU 7 1HD1 LEU 7 -8.361 0.914 1.993 57 HD12 LEU 7 2HD1 LEU 7 -8.541 1.692 3.564 58 HD13 LEU 7 3HD1 LEU 7 -9.624 0.379 3.103 59 HD21 LEU 7 1HD2 LEU 7 -5.748 0.714 3.492 60 HD22 LEU 7 2HD2 LEU 7 -6.363 0.083 1.964 61 HD23 LEU 7 3HD2 LEU 7 -5.709 -1.021 3.176 62 H GLU 8 H GLU 8 -5.900 0.202 7.950 63 HA GLU 8 HA GLU 8 -3.552 1.397 6.800 64 HB2 GLU 8 2HB GLU 8 -4.584 1.381 9.641 65 HB3 GLU 8 1HB GLU 8 -3.226 2.343 9.073 66 HG2 GLU 8 2HG GLU 8 -4.601 3.697 7.743 67 HG3 GLU 8 1HG GLU 8 -5.953 2.572 7.848 68 H GLU 9 H GLU 9 -4.214 -1.196 9.107 69 HA GLU 9 HA GLU 9 -1.494 -1.642 9.804 70 HB2 GLU 9 2HB GLU 9 -2.260 -3.550 10.988 71 HB3 GLU 9 1HB GLU 9 -3.515 -2.332 11.151 72 HG2 GLU 9 2HG GLU 9 -5.000 -3.770 10.384 73 HG3 GLU 9 1HG GLU 9 -4.128 -3.850 8.855 74 H LYS 10 H LYS 10 -3.384 -2.519 7.085 75 HA LYS 10 HA LYS 10 -2.016 -4.894 6.347 76 HB2 LYS 10 2HB LYS 10 -4.191 -3.351 5.372 77 HB3 LYS 10 1HB LYS 10 -3.055 -3.549 4.045 78 HG2 LYS 10 2HG LYS 10 -3.650 -5.979 5.601 79 HG3 LYS 10 1HG LYS 10 -4.978 -5.321 4.645 80 HD2 LYS 10 2HD LYS 10 -4.101 -6.208 2.805 81 HD3 LYS 10 1HD LYS 10 -2.631 -5.262 3.044 82 HE2 LYS 10 2HE LYS 10 -2.896 -7.652 4.744 83 HE3 LYS 10 1HE LYS 10 -2.717 -7.966 3.019 84 HZ1 LYS 10 1HZ LYS 10 -0.776 -6.298 3.216 85 HZ2 LYS 10 2HZ LYS 10 -0.549 -7.887 3.746 86 HZ3 LYS 10 3HZ LYS 10 -0.838 -6.655 4.868 87 H VAL 11 H VAL 11 -1.794 -1.559 5.105 88 HA VAL 11 HA VAL 11 0.386 -2.081 3.390 89 HB VAL 11 HB VAL 11 -0.324 0.598 4.575 90 HG11 VAL 11 1HG1 VAL 11 0.579 0.407 1.796 91 HG12 VAL 11 2HG1 VAL 11 1.784 -0.082 2.986 92 HG13 VAL 11 3HG1 VAL 11 1.061 1.524 3.072 93 HG21 VAL 11 1HG2 VAL 11 -1.754 -1.088 2.639 94 HG22 VAL 11 2HG2 VAL 11 -1.512 0.586 2.141 95 HG23 VAL 11 3HG2 VAL 11 -2.343 0.228 3.655 96 H LYS 12 H LYS 12 0.198 -1.252 6.751 97 HA LYS 12 HA LYS 12 2.791 -0.281 7.173 98 HB2 LYS 12 2HB LYS 12 1.019 -0.121 8.862 99 HB3 LYS 12 1HB LYS 12 1.031 -1.869 9.056 100 HG2 LYS 12 2HG LYS 12 2.980 -1.866 10.243 101 HG3 LYS 12 1HG LYS 12 3.571 -0.385 9.484 102 HD2 LYS 12 2HD LYS 12 2.674 0.903 11.076 103 HD3 LYS 12 1HD LYS 12 1.134 0.044 11.014 104 HE2 LYS 12 2HE LYS 12 2.474 -1.820 12.274 105 HE3 LYS 12 1HE LYS 12 3.540 -0.483 12.699 106 HZ1 LYS 12 1HZ LYS 12 1.806 -0.880 14.365 107 HZ2 LYS 12 2HZ LYS 12 0.616 -0.546 13.212 108 HZ3 LYS 12 3HZ LYS 12 1.692 0.668 13.692 109 H ALA 13 H ALA 13 1.531 -3.553 6.979 110 HA ALA 13 HA ALA 13 4.058 -4.767 7.709 111 HB1 ALA 13 1HB ALA 13 1.513 -5.663 7.844 112 HB2 ALA 13 2HB ALA 13 2.922 -6.723 7.811 113 HB3 ALA 13 3HB ALA 13 2.025 -6.402 6.326 114 H LEU 14 H LEU 14 2.439 -3.640 4.926 115 HA LEU 14 HA LEU 14 3.716 -5.116 2.898 116 HB2 LEU 14 2HB LEU 14 1.634 -3.522 2.928 117 HB3 LEU 14 1HB LEU 14 2.811 -2.284 2.545 118 HG LEU 14 HG LEU 14 3.116 -4.574 0.797 119 HD11 LEU 14 1HD1 LEU 14 0.908 -5.138 0.809 120 HD12 LEU 14 2HD1 LEU 14 0.869 -3.852 -0.397 121 HD13 LEU 14 3HD1 LEU 14 0.381 -3.518 1.267 122 HD21 LEU 14 1HD2 LEU 14 3.991 -2.764 -0.207 123 HD22 LEU 14 2HD2 LEU 14 2.944 -1.646 0.666 124 HD23 LEU 14 3HD2 LEU 14 2.339 -2.491 -0.759 125 H GLU 15 H GLU 15 4.701 -2.433 4.849 126 HA GLU 15 HA GLU 15 6.786 -1.512 3.120 127 HB2 GLU 15 2HB GLU 15 5.821 0.094 4.581 128 HB3 GLU 15 1HB GLU 15 6.045 -0.938 5.987 129 HG2 GLU 15 2HG GLU 15 8.433 -0.620 5.892 130 HG3 GLU 15 1HG GLU 15 8.282 0.300 4.395 131 H GLU 16 H GLU 16 6.758 -3.267 6.229 132 HA GLU 16 HA GLU 16 9.461 -3.661 6.549 133 HB2 GLU 16 2HB GLU 16 8.867 -5.708 7.822 134 HB3 GLU 16 1HB GLU 16 7.895 -4.311 8.264 135 HG2 GLU 16 2HG GLU 16 5.990 -5.149 7.248 136 HG3 GLU 16 1HG GLU 16 6.905 -6.266 6.235 137 H LYS 17 H LYS 17 7.313 -5.194 4.289 138 HA LYS 17 HA LYS 17 9.072 -7.358 3.627 139 HB2 LYS 17 2HB LYS 17 6.463 -7.070 3.287 140 HB3 LYS 17 1HB LYS 17 6.966 -6.405 1.739 141 HG2 LYS 17 2HG LYS 17 7.526 -8.411 0.918 142 HG3 LYS 17 1HG LYS 17 8.249 -8.944 2.438 143 HD2 LYS 17 2HD LYS 17 6.339 -10.326 1.959 144 HD3 LYS 17 1HD LYS 17 5.960 -9.294 3.338 145 HE2 LYS 17 2HE LYS 17 4.107 -9.456 1.708 146 HE3 LYS 17 1HE LYS 17 4.686 -7.806 1.939 147 HZ1 LYS 17 1HZ LYS 17 5.524 -7.708 -0.151 148 HZ2 LYS 17 2HZ LYS 17 4.291 -8.828 -0.445 149 HZ3 LYS 17 3HZ LYS 17 5.881 -9.361 -0.227 150 H VAL 18 H VAL 18 8.294 -4.214 2.197 151 HA VAL 18 HA VAL 18 10.042 -4.564 -0.045 152 HB VAL 18 HB VAL 18 8.979 -1.955 0.985 153 HG11 VAL 18 1HG1 VAL 18 9.245 -1.175 -1.251 154 HG12 VAL 18 2HG1 VAL 18 9.618 -2.798 -1.832 155 HG13 VAL 18 3HG1 VAL 18 10.754 -1.956 -0.778 156 HG21 VAL 18 1HG2 VAL 18 6.910 -2.657 0.572 157 HG22 VAL 18 2HG2 VAL 18 7.507 -4.208 -0.019 158 HG23 VAL 18 3HG2 VAL 18 7.358 -2.841 -1.124 159 H LYS 19 H LYS 19 10.188 -2.631 2.939 160 HA LYS 19 HA LYS 19 12.572 -1.328 2.554 161 HB2 LYS 19 2HB LYS 19 11.251 -2.393 5.030 162 HB3 LYS 19 1HB LYS 19 12.806 -1.577 5.126 163 HG2 LYS 19 2HG LYS 19 11.086 0.026 3.547 164 HG3 LYS 19 1HG LYS 19 10.208 -0.447 5.001 165 HD2 LYS 19 2HD LYS 19 13.009 0.459 5.346 166 HD3 LYS 19 1HD LYS 19 11.815 1.684 4.912 167 HE2 LYS 19 2HE LYS 19 11.739 1.732 7.220 168 HE3 LYS 19 1HE LYS 19 10.418 0.630 6.830 169 HZ1 LYS 19 1HZ LYS 19 11.496 -1.115 7.719 170 HZ2 LYS 19 2HZ LYS 19 12.328 0.071 8.592 171 HZ3 LYS 19 3HZ LYS 19 13.023 -0.598 7.203 172 H ALA 20 H ALA 20 12.056 -4.680 3.411 173 HA ALA 20 HA ALA 20 14.897 -5.125 3.875 174 HB1 ALA 20 1HB ALA 20 13.251 -6.210 5.339 175 HB2 ALA 20 2HB ALA 20 14.262 -7.383 4.492 176 HB3 ALA 20 3HB ALA 20 12.609 -7.087 3.950 177 H LEU 21 H LEU 21 12.786 -5.111 1.253 178 HA LEU 21 HA LEU 21 13.702 -7.278 -0.276 179 HB2 LEU 21 2HB LEU 21 11.798 -5.314 -0.530 180 HB3 LEU 21 1HB LEU 21 12.946 -4.880 -1.774 181 HG LEU 21 HG LEU 21 11.990 -7.703 -1.625 182 HD11 LEU 21 1HD1 LEU 21 9.966 -6.311 -1.442 183 HD12 LEU 21 2HD1 LEU 21 10.050 -7.190 -2.968 184 HD13 LEU 21 3HD1 LEU 21 10.436 -5.469 -2.919 185 HD21 LEU 21 1HD2 LEU 21 13.346 -5.942 -3.523 186 HD22 LEU 21 2HD2 LEU 21 12.048 -6.899 -4.237 187 HD23 LEU 21 3HD2 LEU 21 13.369 -7.700 -3.388 188 H GLY 22 H GLY 22 14.937 -7.038 -2.345 189 HA2 GLY 22 2HA GLY 22 17.515 -5.956 -1.796 190 HA3 GLY 22 1HA GLY 22 17.001 -6.693 -3.307 191 H GLY 23 H GLY 23 17.245 -5.364 -4.967 192 HA2 GLY 23 2HA GLY 23 16.036 -2.788 -5.032 193 HA3 GLY 23 1HA GLY 23 17.778 -2.650 -4.841 194 H GLY 24 H GLY 24 15.460 -2.464 -7.072 195 HA2 GLY 24 2HA GLY 24 17.325 -2.968 -9.231 196 HA3 GLY 24 1HA GLY 24 15.920 -4.024 -9.218 197 H GLY 25 H GLY 25 14.163 -3.352 -10.271 198 HA2 GLY 25 2HA GLY 25 13.969 -0.470 -10.897 199 HA3 GLY 25 1HA GLY 25 13.542 -1.729 -12.046 200 H ARG 26 H ARG 26 11.943 -3.408 -10.833 201 HA ARG 26 HA ARG 26 9.493 -2.096 -10.655 202 HB2 ARG 26 2HB ARG 26 8.539 -4.185 -10.087 203 HB3 ARG 26 1HB ARG 26 9.905 -4.553 -11.128 204 HG2 ARG 26 2HG ARG 26 9.972 -4.699 -8.122 205 HG3 ARG 26 1HG ARG 26 9.680 -6.074 -9.187 206 HD2 ARG 26 2HD ARG 26 11.903 -5.380 -10.305 207 HD3 ARG 26 1HD ARG 26 12.172 -4.454 -8.831 208 HE ARG 26 HE ARG 26 12.504 -6.418 -7.676 209 HH11 ARG 26 1HH1 ARG 26 11.266 -7.132 -10.863 210 HH12 ARG 26 2HH1 ARG 26 11.593 -8.828 -10.744 211 HH21 ARG 26 1HH2 ARG 26 12.931 -8.648 -7.521 212 HH22 ARG 26 2HH2 ARG 26 12.536 -9.690 -8.849 213 H ILE 27 H ILE 27 11.880 -2.741 -8.220 214 HA ILE 27 HA ILE 27 10.232 -2.430 -5.945 215 HB ILE 27 HB ILE 27 13.198 -1.908 -6.176 216 HG12 ILE 27 2HG1 ILE 27 11.825 -4.436 -5.254 217 HG13 ILE 27 1HG1 ILE 27 12.385 -4.196 -6.906 218 HG21 ILE 27 1HG2 ILE 27 13.180 -1.408 -4.014 219 HG22 ILE 27 2HG2 ILE 27 12.356 -2.920 -3.636 220 HG23 ILE 27 3HG2 ILE 27 11.418 -1.481 -4.035 221 HD11 ILE 27 1HD1 ILE 27 14.639 -4.120 -6.230 222 HD12 ILE 27 2HD1 ILE 27 13.914 -5.485 -5.381 223 HD13 ILE 27 3HD1 ILE 27 14.201 -3.968 -4.529 224 H GLU 28 H GLU 28 11.846 -0.173 -8.056 225 HA GLU 28 HA GLU 28 11.799 2.080 -6.354 226 HB2 GLU 28 2HB GLU 28 11.836 1.886 -9.367 227 HB3 GLU 28 1HB GLU 28 12.060 3.381 -8.472 228 HG2 GLU 28 2HG GLU 28 13.915 1.790 -7.302 229 HG3 GLU 28 1HG GLU 28 13.918 1.169 -8.952 230 H GLU 29 H GLU 29 9.636 1.233 -9.072 231 HA GLU 29 HA GLU 29 7.832 3.336 -8.699 232 HB2 GLU 29 2HB GLU 29 7.836 2.074 -10.752 233 HB3 GLU 29 1HB GLU 29 7.425 0.593 -9.897 234 HG2 GLU 29 2HG GLU 29 5.483 1.427 -11.031 235 HG3 GLU 29 1HG GLU 29 5.250 1.579 -9.291 236 H LEU 30 H LEU 30 8.150 0.299 -7.042 237 HA LEU 30 HA LEU 30 5.527 0.361 -5.878 238 HB2 LEU 30 2HB LEU 30 7.968 -1.290 -5.243 239 HB3 LEU 30 1HB LEU 30 6.408 -1.506 -4.471 240 HG LEU 30 HG LEU 30 6.842 -1.774 -7.442 241 HD11 LEU 30 1HD1 LEU 30 6.350 -4.161 -5.779 242 HD12 LEU 30 2HD1 LEU 30 7.960 -3.448 -5.671 243 HD13 LEU 30 3HD1 LEU 30 7.329 -3.968 -7.233 244 HD21 LEU 30 1HD2 LEU 30 4.594 -2.934 -5.848 245 HD22 LEU 30 2HD2 LEU 30 4.669 -2.553 -7.568 246 HD23 LEU 30 3HD2 LEU 30 4.536 -1.255 -6.384 247 H LYS 31 H LYS 31 8.583 1.740 -5.106 248 HA LYS 31 HA LYS 31 8.133 2.004 -2.290 249 HB2 LYS 31 2HB LYS 31 10.396 1.946 -3.209 250 HB3 LYS 31 1HB LYS 31 10.082 3.417 -4.120 251 HG2 LYS 31 2HG LYS 31 10.424 4.744 -2.347 252 HG3 LYS 31 1HG LYS 31 9.617 3.638 -1.233 253 HD2 LYS 31 2HD LYS 31 12.276 2.898 -2.373 254 HD3 LYS 31 1HD LYS 31 12.194 4.060 -1.046 255 HE2 LYS 31 2HE LYS 31 12.466 1.990 0.010 256 HE3 LYS 31 1HE LYS 31 10.740 2.326 0.143 257 HZ1 LYS 31 1HZ LYS 31 11.534 0.005 -0.623 258 HZ2 LYS 31 2HZ LYS 31 11.750 0.748 -2.126 259 HZ3 LYS 31 3HZ LYS 31 10.220 0.728 -1.406 260 H LYS 32 H LYS 32 8.245 4.435 -4.909 261 HA LYS 32 HA LYS 32 7.419 6.628 -3.470 262 HB2 LYS 32 2HB LYS 32 7.788 5.976 -6.194 263 HB3 LYS 32 1HB LYS 32 6.202 6.721 -6.069 264 HG2 LYS 32 2HG LYS 32 7.238 8.633 -4.889 265 HG3 LYS 32 1HG LYS 32 8.819 7.896 -5.159 266 HD2 LYS 32 2HD LYS 32 8.847 8.450 -7.351 267 HD3 LYS 32 1HD LYS 32 7.115 8.185 -7.548 268 HE2 LYS 32 2HE LYS 32 7.083 10.357 -5.956 269 HE3 LYS 32 1HE LYS 32 8.594 10.633 -6.822 270 HZ1 LYS 32 1HZ LYS 32 6.282 9.864 -8.421 271 HZ2 LYS 32 2HZ LYS 32 7.524 10.957 -8.771 272 HZ3 LYS 32 3HZ LYS 32 6.256 11.418 -7.751 273 H LYS 33 H LYS 33 5.380 4.209 -5.062 274 HA LYS 33 HA LYS 33 2.929 5.509 -4.382 275 HB2 LYS 33 2HB LYS 33 3.748 3.284 -5.977 276 HB3 LYS 33 1HB LYS 33 2.456 2.764 -4.905 277 HG2 LYS 33 2HG LYS 33 1.335 5.003 -5.740 278 HG3 LYS 33 1HG LYS 33 2.409 4.742 -7.116 279 HD2 LYS 33 2HD LYS 33 0.256 3.725 -7.552 280 HD3 LYS 33 1HD LYS 33 1.482 2.469 -7.372 281 HE2 LYS 33 2HE LYS 33 0.188 1.516 -5.837 282 HE3 LYS 33 1HE LYS 33 0.475 2.911 -4.798 283 HZ1 LYS 33 1HZ LYS 33 -1.575 3.696 -5.160 284 HZ2 LYS 33 2HZ LYS 33 -1.941 2.124 -5.666 285 HZ3 LYS 33 3HZ LYS 33 -1.561 3.312 -6.809 286 H CYS 34 H CYS 34 4.990 3.241 -2.771 287 HA CYS 34 HA CYS 34 3.128 2.007 -1.069 288 HB2 CYS 34 2HB CYS 34 5.908 1.960 -1.468 289 HB3 CYS 34 1HB CYS 34 5.689 2.379 0.222 290 H GLU 35 H GLU 35 5.356 4.699 -0.295 291 HA GLU 35 HA GLU 35 4.186 5.195 2.226 292 HB2 GLU 35 2HB GLU 35 5.495 7.359 2.101 293 HB3 GLU 35 1HB GLU 35 6.427 5.874 1.964 294 HG2 GLU 35 2HG GLU 35 7.202 6.455 -0.023 295 HG3 GLU 35 1HG GLU 35 5.578 6.783 -0.620 296 H GLU 36 H GLU 36 3.851 6.861 -0.897 297 HA GLU 36 HA GLU 36 2.228 8.951 -0.088 298 HB2 GLU 36 2HB GLU 36 3.270 8.361 -2.418 299 HB3 GLU 36 1HB GLU 36 1.720 7.582 -2.702 300 HG2 GLU 36 2HG GLU 36 1.005 10.045 -1.714 301 HG3 GLU 36 1HG GLU 36 2.423 10.400 -2.699 302 H LEU 37 H LEU 37 1.488 5.607 -0.531 303 HA LEU 37 HA LEU 37 -1.336 5.832 -0.701 304 HB2 LEU 37 2HB LEU 37 -0.390 3.863 -1.558 305 HB3 LEU 37 1HB LEU 37 0.579 3.597 -0.124 306 HG LEU 37 HG LEU 37 -1.315 2.849 1.123 307 HD11 LEU 37 1HD1 LEU 37 -2.859 4.556 -0.078 308 HD12 LEU 37 2HD1 LEU 37 -3.535 3.034 0.500 309 HD13 LEU 37 3HD1 LEU 37 -3.147 3.234 -1.209 310 HD21 LEU 37 1HD2 LEU 37 -0.260 1.484 -0.951 311 HD22 LEU 37 2HD2 LEU 37 -1.967 1.471 -1.394 312 HD23 LEU 37 3HD2 LEU 37 -1.455 0.818 0.162 313 H LYS 38 H LYS 38 0.902 5.221 1.983 314 HA LYS 38 HA LYS 38 -0.994 4.672 3.960 315 HB2 LYS 38 2HB LYS 38 1.836 5.522 3.906 316 HB3 LYS 38 1HB LYS 38 0.969 5.838 5.404 317 HG2 LYS 38 2HG LYS 38 0.488 3.158 4.412 318 HG3 LYS 38 1HG LYS 38 2.202 3.478 4.678 319 HD2 LYS 38 2HD LYS 38 0.432 4.439 6.813 320 HD3 LYS 38 1HD LYS 38 0.448 2.686 6.606 321 HE2 LYS 38 2HE LYS 38 2.203 2.907 8.044 322 HE3 LYS 38 1HE LYS 38 3.061 3.085 6.515 323 HZ1 LYS 38 1HZ LYS 38 2.629 5.568 6.837 324 HZ2 LYS 38 2HZ LYS 38 3.818 4.846 7.798 325 HZ3 LYS 38 3HZ LYS 38 2.294 5.178 8.449 326 H LYS 39 H LYS 39 0.675 7.776 3.384 327 HA LYS 39 HA LYS 39 -0.660 9.317 5.226 328 HB2 LYS 39 2HB LYS 39 0.054 11.238 3.994 329 HB3 LYS 39 1HB LYS 39 1.307 10.013 3.846 330 HG2 LYS 39 2HG LYS 39 -0.068 9.442 1.644 331 HG3 LYS 39 1HG LYS 39 -0.495 11.147 1.794 332 HD2 LYS 39 2HD LYS 39 2.309 10.032 1.744 333 HD3 LYS 39 1HD LYS 39 1.494 10.830 0.396 334 HE2 LYS 39 2HE LYS 39 1.542 12.910 1.436 335 HE3 LYS 39 1HE LYS 39 1.778 12.211 3.037 336 HZ1 LYS 39 1HZ LYS 39 3.994 11.389 1.942 337 HZ2 LYS 39 2HZ LYS 39 3.870 12.946 2.591 338 HZ3 LYS 39 3HZ LYS 39 3.738 12.714 0.922 339 H LYS 40 H LYS 40 -1.814 8.153 2.159 340 HA LYS 40 HA LYS 40 -3.998 9.985 1.935 341 HB2 LYS 40 2HB LYS 40 -2.799 8.353 0.174 342 HB3 LYS 40 1HB LYS 40 -4.157 7.329 0.618 343 HG2 LYS 40 2HG LYS 40 -5.584 8.533 -0.587 344 HG3 LYS 40 1HG LYS 40 -4.986 10.053 0.080 345 HD2 LYS 40 2HD LYS 40 -2.999 9.009 -1.670 346 HD3 LYS 40 1HD LYS 40 -4.552 8.955 -2.507 347 HE2 LYS 40 2HE LYS 40 -4.042 11.438 -1.029 348 HE3 LYS 40 1HE LYS 40 -2.931 11.137 -2.366 349 HZ1 LYS 40 1HZ LYS 40 -5.837 11.568 -2.429 350 HZ2 LYS 40 2HZ LYS 40 -5.118 10.637 -3.645 351 HZ3 LYS 40 3HZ LYS 40 -4.630 12.240 -3.407 352 H ILE 41 H ILE 41 -3.491 6.970 3.591 353 HA ILE 41 HA ILE 41 -6.242 6.275 3.894 354 HB ILE 41 HB ILE 41 -4.011 5.455 5.750 355 HG12 ILE 41 2HG1 ILE 41 -4.781 4.311 3.058 356 HG13 ILE 41 1HG1 ILE 41 -3.228 5.005 3.510 357 HG21 ILE 41 1HG2 ILE 41 -6.646 4.211 4.981 358 HG22 ILE 41 2HG2 ILE 41 -6.182 4.855 6.556 359 HG23 ILE 41 3HG2 ILE 41 -5.408 3.396 5.938 360 HD11 ILE 41 1HD1 ILE 41 -3.826 2.879 5.301 361 HD12 ILE 41 2HD1 ILE 41 -2.509 3.016 4.134 362 HD13 ILE 41 3HD1 ILE 41 -4.053 2.315 3.645 363 H GLU 42 H GLU 42 -3.871 7.624 6.207 364 HA GLU 42 HA GLU 42 -5.731 8.173 8.238 365 HB2 GLU 42 2HB GLU 42 -3.001 8.385 7.972 366 HB3 GLU 42 1HB GLU 42 -3.496 10.070 8.052 367 HG2 GLU 42 2HG GLU 42 -4.073 9.939 10.218 368 HG3 GLU 42 1HG GLU 42 -4.718 8.305 10.058 369 H GLU 43 H GLU 43 -4.998 9.764 5.280 370 HA GLU 43 HA GLU 43 -6.248 12.271 6.009 371 HB2 GLU 43 2HB GLU 43 -4.830 11.187 3.614 372 HB3 GLU 43 1HB GLU 43 -5.892 12.571 3.403 373 HG2 GLU 43 2HG GLU 43 -3.569 12.418 5.307 374 HG3 GLU 43 1HG GLU 43 -3.565 13.230 3.742 375 H LEU 44 H LEU 44 -7.262 9.243 4.882 376 HA LEU 44 HA LEU 44 -9.408 10.058 3.199 377 HB2 LEU 44 2HB LEU 44 -8.279 7.595 4.171 378 HB3 LEU 44 1HB LEU 44 -10.022 7.545 4.316 379 HG LEU 44 HG LEU 44 -8.440 8.025 1.794 380 HD11 LEU 44 1HD1 LEU 44 -9.656 5.917 1.118 381 HD12 LEU 44 2HD1 LEU 44 -10.086 5.727 2.817 382 HD13 LEU 44 3HD1 LEU 44 -8.390 5.728 2.330 383 HD21 LEU 44 1HD2 LEU 44 -10.360 9.370 1.577 384 HD22 LEU 44 2HD2 LEU 44 -11.391 8.166 2.351 385 HD23 LEU 44 3HD2 LEU 44 -10.745 7.867 0.738 386 H GLY 45 H GLY 45 -11.717 9.580 3.718 387 HA2 GLY 45 2HA GLY 45 -12.310 10.577 6.423 388 HA3 GLY 45 1HA GLY 45 -13.361 10.746 5.025 389 H GLY 46 H GLY 46 -14.903 9.242 4.657 390 HA2 GLY 46 2HA GLY 46 -14.718 6.596 5.806 391 HA3 GLY 46 1HA GLY 46 -15.920 7.623 6.572 392 H GLY 47 H GLY 47 -15.690 5.208 4.492 393 HA2 GLY 47 2HA GLY 47 -17.090 4.344 2.894 394 HA3 GLY 47 1HA GLY 47 -18.260 5.553 3.402 395 H GLY 48 H GLY 48 -17.453 4.495 0.712 396 HA2 GLY 48 2HA GLY 48 -17.586 5.488 -1.384 397 HA3 GLY 48 1HA GLY 48 -17.445 7.062 -0.617 398 H GLU 49 H GLU 49 -15.381 7.914 -0.179 399 HA GLU 49 HA GLU 49 -13.445 7.457 -2.129 400 HB2 GLU 49 2HB GLU 49 -13.796 9.478 -0.536 401 HB3 GLU 49 1HB GLU 49 -12.740 8.595 0.559 402 HG2 GLU 49 2HG GLU 49 -10.976 8.593 -1.102 403 HG3 GLU 49 1HG GLU 49 -12.034 9.409 -2.252 404 H VAL 50 H VAL 50 -13.937 5.925 0.955 405 HA VAL 50 HA VAL 50 -11.414 4.890 1.475 406 HB VAL 50 HB VAL 50 -14.019 3.441 1.956 407 HG11 VAL 50 1HG1 VAL 50 -12.465 2.885 4.079 408 HG12 VAL 50 2HG1 VAL 50 -11.229 3.057 2.832 409 HG13 VAL 50 3HG1 VAL 50 -12.529 1.882 2.629 410 HG21 VAL 50 1HG2 VAL 50 -13.817 4.563 4.238 411 HG22 VAL 50 2HG2 VAL 50 -14.353 5.567 2.891 412 HG23 VAL 50 3HG2 VAL 50 -12.688 5.673 3.461 413 H LYS 51 H LYS 51 -13.691 4.011 -0.982 414 HA LYS 51 HA LYS 51 -12.606 1.414 -1.509 415 HB2 LYS 51 2HB LYS 51 -14.950 2.523 -2.125 416 HB3 LYS 51 1HB LYS 51 -14.093 2.905 -3.612 417 HG2 LYS 51 2HG LYS 51 -13.504 0.236 -3.164 418 HG3 LYS 51 1HG LYS 51 -15.201 0.393 -2.704 419 HD2 LYS 51 2HD LYS 51 -15.532 0.067 -4.918 420 HD3 LYS 51 1HD LYS 51 -15.215 1.802 -4.994 421 HE2 LYS 51 2HE LYS 51 -12.852 1.337 -5.465 422 HE3 LYS 51 1HE LYS 51 -13.188 -0.393 -5.411 423 HZ1 LYS 51 1HZ LYS 51 -14.691 -0.117 -7.288 424 HZ2 LYS 51 2HZ LYS 51 -13.134 0.414 -7.680 425 HZ3 LYS 51 3HZ LYS 51 -14.350 1.540 -7.345 426 H LYS 52 H LYS 52 -11.936 4.664 -2.566 427 HA LYS 52 HA LYS 52 -10.481 4.021 -4.910 428 HB2 LYS 52 2HB LYS 52 -11.296 6.254 -4.636 429 HB3 LYS 52 1HB LYS 52 -10.461 6.438 -3.101 430 HG2 LYS 52 2HG LYS 52 -9.275 7.678 -4.754 431 HG3 LYS 52 1HG LYS 52 -8.304 6.268 -4.322 432 HD2 LYS 52 2HD LYS 52 -8.160 5.904 -6.528 433 HD3 LYS 52 1HD LYS 52 -9.825 5.333 -6.409 434 HE2 LYS 52 2HE LYS 52 -10.182 6.887 -8.006 435 HE3 LYS 52 1HE LYS 52 -10.253 7.980 -6.626 436 HZ1 LYS 52 1HZ LYS 52 -8.795 8.973 -8.142 437 HZ2 LYS 52 2HZ LYS 52 -7.991 7.521 -8.476 438 HZ3 LYS 52 3HZ LYS 52 -7.781 8.277 -6.977 439 H VAL 53 H VAL 53 -9.328 5.002 -1.678 440 HA VAL 53 HA VAL 53 -6.608 4.494 -2.182 441 HB VAL 53 HB VAL 53 -7.970 4.364 0.511 442 HG11 VAL 53 1HG1 VAL 53 -5.883 3.782 1.103 443 HG12 VAL 53 2HG1 VAL 53 -5.531 5.497 0.895 444 HG13 VAL 53 3HG1 VAL 53 -5.183 4.362 -0.409 445 HG21 VAL 53 1HG2 VAL 53 -8.623 6.430 -0.499 446 HG22 VAL 53 2HG2 VAL 53 -6.979 6.740 -1.056 447 HG23 VAL 53 3HG2 VAL 53 -7.349 6.783 0.667 448 H GLU 54 H GLU 54 -9.235 2.389 -1.330 449 HA GLU 54 HA GLU 54 -7.713 0.243 -0.283 450 HB2 GLU 54 2HB GLU 54 -10.245 0.629 -0.126 451 HB3 GLU 54 1HB GLU 54 -10.330 -0.062 -1.741 452 HG2 GLU 54 2HG GLU 54 -9.843 -2.162 -1.024 453 HG3 GLU 54 1HG GLU 54 -8.871 -1.595 0.332 454 H GLU 55 H GLU 55 -8.641 1.200 -3.522 455 HA GLU 55 HA GLU 55 -7.770 -1.224 -4.778 456 HB2 GLU 55 2HB GLU 55 -9.493 0.237 -5.774 457 HB3 GLU 55 1HB GLU 55 -8.290 1.504 -5.977 458 HG2 GLU 55 2HG GLU 55 -7.012 -0.327 -7.326 459 HG3 GLU 55 1HG GLU 55 -8.609 -1.059 -7.458 460 H GLU 56 H GLU 56 -6.304 1.789 -3.869 461 HA GLU 56 HA GLU 56 -4.021 1.622 -5.553 462 HB2 GLU 56 2HB GLU 56 -4.782 3.223 -3.143 463 HB3 GLU 56 1HB GLU 56 -3.106 3.219 -3.671 464 HG2 GLU 56 2HG GLU 56 -4.371 3.709 -6.009 465 HG3 GLU 56 1HG GLU 56 -5.465 4.486 -4.867 466 H VAL 57 H VAL 57 -4.863 0.291 -2.451 467 HA VAL 57 HA VAL 57 -2.155 -0.467 -1.787 468 HB VAL 57 HB VAL 57 -4.701 -1.403 -0.464 469 HG11 VAL 57 1HG1 VAL 57 -1.851 -1.254 0.510 470 HG12 VAL 57 2HG1 VAL 57 -2.737 -2.719 0.089 471 HG13 VAL 57 3HG1 VAL 57 -3.238 -1.753 1.477 472 HG21 VAL 57 1HG2 VAL 57 -3.801 1.228 -0.626 473 HG22 VAL 57 2HG2 VAL 57 -3.271 0.665 0.960 474 HG23 VAL 57 3HG2 VAL 57 -4.975 0.576 0.517 475 H LYS 58 H LYS 58 -4.892 -1.843 -3.394 476 HA LYS 58 HA LYS 58 -4.095 -4.575 -3.145 477 HB2 LYS 58 2HB LYS 58 -6.276 -3.074 -4.348 478 HB3 LYS 58 1HB LYS 58 -5.752 -4.409 -5.367 479 HG2 LYS 58 2HG LYS 58 -5.986 -5.232 -2.610 480 HG3 LYS 58 1HG LYS 58 -7.491 -4.527 -3.204 481 HD2 LYS 58 2HD LYS 58 -6.037 -6.527 -4.881 482 HD3 LYS 58 1HD LYS 58 -7.013 -7.080 -3.519 483 HE2 LYS 58 2HE LYS 58 -8.925 -6.702 -4.609 484 HE3 LYS 58 1HE LYS 58 -8.394 -5.110 -5.151 485 HZ1 LYS 58 1HZ LYS 58 -8.555 -6.205 -7.130 486 HZ2 LYS 58 2HZ LYS 58 -8.135 -7.709 -6.482 487 HZ3 LYS 58 3HZ LYS 58 -6.939 -6.546 -6.761 488 H LYS 59 H LYS 59 -3.399 -1.999 -5.390 489 HA LYS 59 HA LYS 59 -2.430 -3.702 -7.478 490 HB2 LYS 59 2HB LYS 59 -3.295 -1.498 -8.012 491 HB3 LYS 59 1HB LYS 59 -2.076 -0.739 -6.998 492 HG2 LYS 59 2HG LYS 59 -0.932 -2.465 -9.046 493 HG3 LYS 59 1HG LYS 59 -1.902 -1.147 -9.707 494 HD2 LYS 59 2HD LYS 59 0.059 -0.544 -7.542 495 HD3 LYS 59 1HD LYS 59 0.660 -0.820 -9.179 496 HE2 LYS 59 2HE LYS 59 -1.345 0.872 -9.724 497 HE3 LYS 59 1HE LYS 59 -0.954 1.409 -8.091 498 HZ1 LYS 59 1HZ LYS 59 0.643 1.565 -10.533 499 HZ2 LYS 59 2HZ LYS 59 1.472 1.312 -9.081 500 HZ3 LYS 59 3HZ LYS 59 0.493 2.678 -9.266 501 H LEU 60 H LEU 60 -0.883 -1.806 -4.902 502 HA LEU 60 HA LEU 60 1.761 -2.460 -5.779 503 HB2 LEU 60 2HB LEU 60 0.929 -0.464 -4.323 504 HB3 LEU 60 1HB LEU 60 1.149 -1.583 -2.989 505 HG LEU 60 HG LEU 60 3.470 -1.536 -4.730 506 HD11 LEU 60 1HD1 LEU 60 4.189 0.650 -4.529 507 HD12 LEU 60 2HD1 LEU 60 3.017 1.031 -3.269 508 HD13 LEU 60 3HD1 LEU 60 2.485 0.830 -4.939 509 HD21 LEU 60 1HD2 LEU 60 3.027 -0.957 -1.806 510 HD22 LEU 60 2HD2 LEU 60 4.606 -1.107 -2.579 511 HD23 LEU 60 3HD2 LEU 60 3.517 -2.493 -2.520 512 H GLU 61 H GLU 61 -0.557 -3.982 -3.711 513 HA GLU 61 HA GLU 61 1.257 -5.577 -2.221 514 HB2 GLU 61 2HB GLU 61 -1.430 -5.045 -2.101 515 HB3 GLU 61 1HB GLU 61 -1.414 -6.699 -2.689 516 HG2 GLU 61 2HG GLU 61 0.406 -6.785 -0.651 517 HG3 GLU 61 1HG GLU 61 -0.790 -5.634 -0.055 518 H GLU 62 H GLU 62 -0.883 -6.346 -4.958 519 HA GLU 62 HA GLU 62 0.070 -8.951 -5.384 520 HB2 GLU 62 2HB GLU 62 -1.998 -7.521 -6.346 521 HB3 GLU 62 1HB GLU 62 -0.909 -7.412 -7.722 522 HG2 GLU 62 2HG GLU 62 -0.769 -9.847 -7.809 523 HG3 GLU 62 1HG GLU 62 -1.849 -9.957 -6.420 524 H GLU 63 H GLU 63 1.294 -5.848 -6.349 525 HA GLU 63 HA GLU 63 2.885 -6.616 -8.529 526 HB2 GLU 63 2HB GLU 63 2.373 -4.265 -7.099 527 HB3 GLU 63 1HB GLU 63 4.108 -4.509 -6.962 528 HG2 GLU 63 2HG GLU 63 2.804 -4.748 -9.630 529 HG3 GLU 63 1HG GLU 63 3.104 -3.151 -8.945 530 H ILE 64 H ILE 64 3.904 -6.033 -5.162 531 HA ILE 64 HA ILE 64 6.519 -6.909 -5.387 532 HB ILE 64 HB ILE 64 4.779 -7.262 -2.944 533 HG12 ILE 64 2HG1 ILE 64 6.352 -4.848 -3.871 534 HG13 ILE 64 1HG1 ILE 64 4.600 -4.964 -3.762 535 HG21 ILE 64 1HG2 ILE 64 6.802 -7.188 -1.688 536 HG22 ILE 64 2HG2 ILE 64 7.746 -6.773 -3.119 537 HG23 ILE 64 3HG2 ILE 64 7.023 -8.375 -2.974 538 HD11 ILE 64 1HD1 ILE 64 4.655 -5.006 -1.406 539 HD12 ILE 64 2HD1 ILE 64 5.750 -3.717 -1.909 540 HD13 ILE 64 3HD1 ILE 64 6.400 -5.268 -1.380 541 H LYS 65 H LYS 65 3.576 -8.745 -5.208 542 HA LYS 65 HA LYS 65 4.619 -11.207 -4.333 543 HB2 LYS 65 2HB LYS 65 2.124 -10.205 -5.312 544 HB3 LYS 65 1HB LYS 65 2.499 -11.698 -6.161 545 HG2 LYS 65 2HG LYS 65 1.255 -12.351 -4.293 546 HG3 LYS 65 1HG LYS 65 2.930 -12.714 -3.876 547 HD2 LYS 65 2HD LYS 65 2.888 -10.314 -2.842 548 HD3 LYS 65 1HD LYS 65 1.140 -10.557 -2.843 549 HE2 LYS 65 2HE LYS 65 1.974 -12.904 -1.786 550 HE3 LYS 65 1HE LYS 65 3.231 -11.818 -1.197 551 HZ1 LYS 65 1HZ LYS 65 0.339 -11.249 -0.885 552 HZ2 LYS 65 2HZ LYS 65 1.635 -10.483 -0.114 553 HZ3 LYS 65 3HZ LYS 65 1.242 -12.080 0.279 554 H LYS 66 H LYS 66 4.518 -9.676 -7.482 555 HA LYS 66 HA LYS 66 5.204 -11.965 -9.006 556 HB2 LYS 66 2HB LYS 66 5.764 -9.076 -9.691 557 HB3 LYS 66 1HB LYS 66 5.647 -10.424 -10.812 558 HG2 LYS 66 2HG LYS 66 3.383 -9.388 -9.122 559 HG3 LYS 66 1HG LYS 66 3.651 -8.990 -10.820 560 HD2 LYS 66 2HD LYS 66 3.211 -11.188 -11.517 561 HD3 LYS 66 1HD LYS 66 3.396 -11.833 -9.885 562 HE2 LYS 66 2HE LYS 66 1.374 -10.156 -9.437 563 HE3 LYS 66 1HE LYS 66 1.085 -10.472 -11.148 564 HZ1 LYS 66 1HZ LYS 66 1.113 -12.864 -10.623 565 HZ2 LYS 66 2HZ LYS 66 -0.134 -12.039 -9.832 566 HZ3 LYS 66 3HZ LYS 66 1.255 -12.492 -8.978 567 H LEU 67 H LEU 67 7.192 -9.157 -8.051 568 HA LEU 67 HA LEU 67 9.636 -10.276 -8.867 569 HB2 LEU 67 2HB LEU 67 10.566 -8.546 -7.191 570 HB3 LEU 67 1HB LEU 67 9.712 -7.983 -8.611 571 HG LEU 67 HG LEU 67 7.955 -8.357 -6.307 572 HD11 LEU 67 1HD1 LEU 67 8.841 -6.938 -4.785 573 HD12 LEU 67 2HD1 LEU 67 9.669 -5.969 -6.004 574 HD13 LEU 67 3HD1 LEU 67 10.355 -7.509 -5.487 575 HD21 LEU 67 1HD2 LEU 67 7.920 -6.970 -8.657 576 HD22 LEU 67 2HD2 LEU 67 8.296 -5.702 -7.491 577 HD23 LEU 67 3HD2 LEU 67 6.842 -6.679 -7.292 578 H6 HTS 101 H6 HTS 68 8.035 3.330 3.788 579 H3 HTS 101 H3 HTS 68 7.872 -0.678 0.923 580 H4 HTS 101 H4 HTS 68 10.038 0.376 1.443 581 H5 HTS 101 H5 HTS 68 10.117 2.374 2.884 582 HO1 HTS 101 HO1 HTS 68 5.621 3.332 3.275 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -14.155 -6.571 14.243 2 H2 GLY 1 2H GLY 1 -13.805 -8.146 13.737 3 H3 GLY 1 3H GLY 1 -14.128 -6.944 12.592 4 HA2 GLY 1 1HA GLY 1 -11.832 -6.823 14.461 5 HA3 GLY 1 2HA GLY 1 -11.723 -7.540 12.860 6 H SER 2 H SER 2 -13.558 -4.675 13.833 7 HA SER 2 HA SER 2 -13.489 -2.515 13.130 8 HB2 SER 2 2HB SER 2 -11.004 -3.016 14.038 9 HB3 SER 2 1HB SER 2 -10.626 -2.634 12.359 10 HG SER 2 HG SER 2 -12.267 -0.979 13.961 11 H ARG 3 H ARG 3 -12.434 -1.108 11.173 12 HA ARG 3 HA ARG 3 -12.649 -2.709 8.718 13 HB2 ARG 3 2HB ARG 3 -14.808 -1.460 9.418 14 HB3 ARG 3 1HB ARG 3 -13.948 -0.007 8.928 15 HG2 ARG 3 2HG ARG 3 -13.597 -1.771 6.811 16 HG3 ARG 3 1HG ARG 3 -15.271 -2.001 7.315 17 HD2 ARG 3 2HD ARG 3 -15.657 0.405 7.142 18 HD3 ARG 3 1HD ARG 3 -13.977 0.645 6.662 19 HE ARG 3 HE ARG 3 -14.510 -0.059 4.547 20 HH11 ARG 3 1HH1 ARG 3 -17.120 -0.884 6.714 21 HH12 ARG 3 2HH1 ARG 3 -18.191 -1.364 5.441 22 HH21 ARG 3 1HH2 ARG 3 -15.919 -0.689 2.872 23 HH22 ARG 3 2HH2 ARG 3 -17.509 -1.254 3.260 24 H VAL 4 H VAL 4 -12.167 0.690 9.703 25 HA VAL 4 HA VAL 4 -10.294 1.170 7.595 26 HB VAL 4 HB VAL 4 -10.747 2.876 10.045 27 HG11 VAL 4 1HG1 VAL 4 -8.759 3.388 8.659 28 HG12 VAL 4 2HG1 VAL 4 -9.949 4.689 8.674 29 HG13 VAL 4 3HG1 VAL 4 -9.823 3.625 7.273 30 HG21 VAL 4 1HG2 VAL 4 -12.432 2.404 7.667 31 HG22 VAL 4 2HG2 VAL 4 -12.210 4.087 8.144 32 HG23 VAL 4 3HG2 VAL 4 -12.879 2.926 9.292 33 H LYS 5 H LYS 5 -10.060 0.407 11.022 34 HA LYS 5 HA LYS 5 -7.350 0.989 11.416 35 HB2 LYS 5 2HB LYS 5 -9.381 -0.700 12.761 36 HB3 LYS 5 1HB LYS 5 -7.700 -1.090 13.099 37 HG2 LYS 5 2HG LYS 5 -7.639 1.580 13.434 38 HG3 LYS 5 1HG LYS 5 -9.304 1.239 13.907 39 HD2 LYS 5 2HD LYS 5 -8.683 0.147 15.781 40 HD3 LYS 5 1HD LYS 5 -7.281 -0.594 15.007 41 HE2 LYS 5 2HE LYS 5 -6.011 0.849 16.125 42 HE3 LYS 5 1HE LYS 5 -6.684 2.123 15.109 43 HZ1 LYS 5 1HZ LYS 5 -7.256 1.463 17.878 44 HZ2 LYS 5 2HZ LYS 5 -8.598 1.887 16.940 45 HZ3 LYS 5 3HZ LYS 5 -7.299 2.960 17.088 46 H ALA 6 H ALA 6 -8.924 -1.675 9.847 47 HA ALA 6 HA ALA 6 -6.606 -3.383 9.821 48 HB1 ALA 6 1HB ALA 6 -8.797 -3.870 7.900 49 HB2 ALA 6 2HB ALA 6 -9.225 -3.910 9.610 50 HB3 ALA 6 3HB ALA 6 -7.971 -4.984 8.990 51 H LEU 7 H LEU 7 -7.926 -0.884 7.821 52 HA LEU 7 HA LEU 7 -6.605 -1.597 5.403 53 HB2 LEU 7 2HB LEU 7 -8.538 0.224 6.140 54 HB3 LEU 7 1HB LEU 7 -7.163 1.250 5.780 55 HG LEU 7 HG LEU 7 -8.488 -0.713 3.915 56 HD11 LEU 7 1HD1 LEU 7 -8.458 2.262 4.179 57 HD12 LEU 7 2HD1 LEU 7 -9.816 1.173 3.894 58 HD13 LEU 7 3HD1 LEU 7 -8.673 1.517 2.596 59 HD21 LEU 7 1HD2 LEU 7 -6.793 0.622 2.337 60 HD22 LEU 7 2HD2 LEU 7 -6.375 -0.905 3.115 61 HD23 LEU 7 3HD2 LEU 7 -5.849 0.621 3.827 62 H GLU 8 H GLU 8 -5.715 0.314 8.201 63 HA GLU 8 HA GLU 8 -3.360 1.410 6.939 64 HB2 GLU 8 2HB GLU 8 -4.188 1.461 9.845 65 HB3 GLU 8 1HB GLU 8 -2.919 2.433 9.110 66 HG2 GLU 8 2HG GLU 8 -4.455 3.727 7.903 67 HG3 GLU 8 1HG GLU 8 -5.764 2.578 8.178 68 H GLU 9 H GLU 9 -4.129 -1.198 9.166 69 HA GLU 9 HA GLU 9 -1.417 -1.790 9.832 70 HB2 GLU 9 2HB GLU 9 -2.283 -3.735 10.944 71 HB3 GLU 9 1HB GLU 9 -3.375 -2.393 11.257 72 HG2 GLU 9 2HG GLU 9 -4.838 -4.097 10.807 73 HG3 GLU 9 1HG GLU 9 -4.692 -3.325 9.231 74 H LYS 10 H LYS 10 -3.420 -2.494 7.148 75 HA LYS 10 HA LYS 10 -2.188 -4.920 6.316 76 HB2 LYS 10 2HB LYS 10 -4.358 -3.313 5.491 77 HB3 LYS 10 1HB LYS 10 -3.280 -3.429 4.109 78 HG2 LYS 10 2HG LYS 10 -3.697 -5.621 3.795 79 HG3 LYS 10 1HG LYS 10 -3.827 -5.956 5.523 80 HD2 LYS 10 2HD LYS 10 -5.989 -4.260 4.748 81 HD3 LYS 10 1HD LYS 10 -5.912 -5.626 3.634 82 HE2 LYS 10 2HE LYS 10 -6.023 -5.785 6.645 83 HE3 LYS 10 1HE LYS 10 -7.351 -6.127 5.536 84 HZ1 LYS 10 1HZ LYS 10 -5.718 -7.837 4.552 85 HZ2 LYS 10 2HZ LYS 10 -6.512 -8.210 5.998 86 HZ3 LYS 10 3HZ LYS 10 -4.904 -7.690 6.027 87 H VAL 11 H VAL 11 -1.924 -1.579 5.115 88 HA VAL 11 HA VAL 11 0.174 -2.094 3.309 89 HB VAL 11 HB VAL 11 -0.377 0.550 4.655 90 HG11 VAL 11 1HG1 VAL 11 0.420 0.447 1.833 91 HG12 VAL 11 2HG1 VAL 11 1.646 -0.117 2.969 92 HG13 VAL 11 3HG1 VAL 11 0.971 1.505 3.133 93 HG21 VAL 11 1HG2 VAL 11 -1.558 0.136 2.019 94 HG22 VAL 11 2HG2 VAL 11 -2.256 0.842 3.477 95 HG23 VAL 11 3HG2 VAL 11 -2.242 -0.908 3.264 96 H LYS 12 H LYS 12 0.138 -1.418 6.702 97 HA LYS 12 HA LYS 12 2.769 -0.567 7.094 98 HB2 LYS 12 2HB LYS 12 0.723 -0.785 8.746 99 HB3 LYS 12 1HB LYS 12 1.450 -2.345 9.107 100 HG2 LYS 12 2HG LYS 12 3.048 0.188 9.211 101 HG3 LYS 12 1HG LYS 12 2.076 -0.355 10.580 102 HD2 LYS 12 2HD LYS 12 3.630 -1.836 11.171 103 HD3 LYS 12 1HD LYS 12 3.657 -2.529 9.548 104 HE2 LYS 12 2HE LYS 12 5.825 -1.792 9.753 105 HE3 LYS 12 1HE LYS 12 5.063 -0.400 8.981 106 HZ1 LYS 12 1HZ LYS 12 6.234 0.559 10.693 107 HZ2 LYS 12 2HZ LYS 12 5.953 -0.717 11.768 108 HZ3 LYS 12 3HZ LYS 12 4.711 0.373 11.407 109 H ALA 13 H ALA 13 1.398 -3.786 6.767 110 HA ALA 13 HA ALA 13 3.898 -5.115 7.355 111 HB1 ALA 13 1HB ALA 13 1.447 -6.314 6.072 112 HB2 ALA 13 2HB ALA 13 1.630 -6.109 7.813 113 HB3 ALA 13 3HB ALA 13 2.739 -7.154 6.928 114 H LEU 14 H LEU 14 2.260 -3.787 4.665 115 HA LEU 14 HA LEU 14 3.462 -5.195 2.541 116 HB2 LEU 14 2HB LEU 14 1.424 -3.571 2.663 117 HB3 LEU 14 1HB LEU 14 2.615 -2.321 2.382 118 HG LEU 14 HG LEU 14 2.533 -4.647 0.514 119 HD11 LEU 14 1HD1 LEU 14 0.173 -3.565 1.070 120 HD12 LEU 14 2HD1 LEU 14 0.626 -4.044 -0.567 121 HD13 LEU 14 3HD1 LEU 14 0.750 -2.355 -0.075 122 HD21 LEU 14 1HD2 LEU 14 4.220 -2.772 0.409 123 HD22 LEU 14 2HD2 LEU 14 2.884 -1.711 -0.034 124 HD23 LEU 14 3HD2 LEU 14 3.309 -3.073 -1.071 125 H GLU 15 H GLU 15 4.549 -2.645 4.615 126 HA GLU 15 HA GLU 15 6.643 -1.696 2.912 127 HB2 GLU 15 2HB GLU 15 5.733 -0.153 4.482 128 HB3 GLU 15 1HB GLU 15 5.970 -1.266 5.821 129 HG2 GLU 15 2HG GLU 15 8.301 -0.929 5.818 130 HG3 GLU 15 1HG GLU 15 8.259 -0.129 4.247 131 H GLU 16 H GLU 16 6.427 -3.917 5.656 132 HA GLU 16 HA GLU 16 9.126 -4.328 6.141 133 HB2 GLU 16 2HB GLU 16 6.828 -6.281 6.323 134 HB3 GLU 16 1HB GLU 16 8.434 -6.587 6.972 135 HG2 GLU 16 2HG GLU 16 7.885 -4.201 8.109 136 HG3 GLU 16 1HG GLU 16 6.269 -4.894 7.999 137 H LYS 17 H LYS 17 7.150 -5.456 3.516 138 HA LYS 17 HA LYS 17 8.959 -7.495 2.638 139 HB2 LYS 17 2HB LYS 17 6.396 -7.202 2.181 140 HB3 LYS 17 1HB LYS 17 6.940 -6.212 0.835 141 HG2 LYS 17 2HG LYS 17 7.682 -7.983 -0.343 142 HG3 LYS 17 1HG LYS 17 8.229 -8.848 1.094 143 HD2 LYS 17 2HD LYS 17 6.432 -10.118 0.271 144 HD3 LYS 17 1HD LYS 17 5.757 -9.199 1.618 145 HE2 LYS 17 2HE LYS 17 5.585 -7.793 -0.930 146 HE3 LYS 17 1HE LYS 17 4.726 -9.333 -0.931 147 HZ1 LYS 17 1HZ LYS 17 3.206 -8.587 0.529 148 HZ2 LYS 17 2HZ LYS 17 3.666 -7.065 -0.049 149 HZ3 LYS 17 3HZ LYS 17 4.314 -7.650 1.400 150 H VAL 18 H VAL 18 8.191 -4.202 1.531 151 HA VAL 18 HA VAL 18 10.107 -4.207 -0.571 152 HB VAL 18 HB VAL 18 9.151 -1.688 0.730 153 HG11 VAL 18 1HG1 VAL 18 9.270 -2.139 -2.202 154 HG12 VAL 18 2HG1 VAL 18 10.791 -1.996 -1.322 155 HG13 VAL 18 3HG1 VAL 18 9.613 -0.685 -1.264 156 HG21 VAL 18 1HG2 VAL 18 7.181 -1.880 -0.904 157 HG22 VAL 18 2HG2 VAL 18 7.104 -2.817 0.588 158 HG23 VAL 18 3HG2 VAL 18 7.543 -3.605 -0.928 159 H LYS 19 H LYS 19 10.101 -2.612 2.623 160 HA LYS 19 HA LYS 19 12.569 -1.422 2.525 161 HB2 LYS 19 2HB LYS 19 10.967 -2.576 4.773 162 HB3 LYS 19 1HB LYS 19 12.584 -1.959 5.088 163 HG2 LYS 19 2HG LYS 19 11.263 -0.005 3.555 164 HG3 LYS 19 1HG LYS 19 10.130 -0.533 4.798 165 HD2 LYS 19 2HD LYS 19 11.401 0.285 6.498 166 HD3 LYS 19 1HD LYS 19 12.919 -0.028 5.656 167 HE2 LYS 19 2HE LYS 19 12.524 1.890 4.206 168 HE3 LYS 19 1HE LYS 19 10.981 2.190 5.003 169 HZ1 LYS 19 1HZ LYS 19 12.128 2.665 7.044 170 HZ2 LYS 19 2HZ LYS 19 12.778 3.629 5.816 171 HZ3 LYS 19 3HZ LYS 19 13.623 2.267 6.357 172 H ALA 20 H ALA 20 11.832 -4.804 2.994 173 HA ALA 20 HA ALA 20 14.406 -5.585 3.932 174 HB1 ALA 20 1HB ALA 20 12.291 -6.888 4.243 175 HB2 ALA 20 2HB ALA 20 13.659 -7.831 3.654 176 HB3 ALA 20 3HB ALA 20 12.387 -7.332 2.539 177 H LEU 21 H LEU 21 13.330 -4.576 0.909 178 HA LEU 21 HA LEU 21 14.774 -6.230 -0.834 179 HB2 LEU 21 2HB LEU 21 14.194 -4.753 -2.503 180 HB3 LEU 21 1HB LEU 21 12.939 -4.479 -1.316 181 HG LEU 21 HG LEU 21 13.408 -2.320 -1.862 182 HD11 LEU 21 1HD1 LEU 21 15.757 -2.211 -0.112 183 HD12 LEU 21 2HD1 LEU 21 14.344 -2.987 0.593 184 HD13 LEU 21 3HD1 LEU 21 14.227 -1.342 -0.022 185 HD21 LEU 21 1HD2 LEU 21 15.258 -3.169 -3.429 186 HD22 LEU 21 2HD2 LEU 21 16.357 -2.755 -2.114 187 HD23 LEU 21 3HD2 LEU 21 15.346 -1.508 -2.845 188 H GLY 22 H GLY 22 16.607 -5.421 -2.235 189 HA2 GLY 22 2HA GLY 22 18.474 -3.626 -0.919 190 HA3 GLY 22 1HA GLY 22 18.974 -5.308 -0.990 191 H GLY 23 H GLY 23 17.055 -4.052 -3.583 192 HA2 GLY 23 2HA GLY 23 19.483 -3.763 -5.236 193 HA3 GLY 23 1HA GLY 23 18.116 -4.717 -5.791 194 H GLY 24 H GLY 24 16.941 -3.692 -7.260 195 HA2 GLY 24 2HA GLY 24 15.785 -1.151 -6.816 196 HA3 GLY 24 1HA GLY 24 17.162 -0.984 -7.894 197 H GLY 25 H GLY 25 14.849 -0.218 -8.926 198 HA2 GLY 25 2HA GLY 25 14.074 -0.669 -11.159 199 HA3 GLY 25 1HA GLY 25 14.224 -2.386 -10.819 200 H ARG 26 H ARG 26 12.397 -3.437 -10.431 201 HA ARG 26 HA ARG 26 9.879 -2.302 -10.486 202 HB2 ARG 26 2HB ARG 26 10.783 -4.827 -10.529 203 HB3 ARG 26 1HB ARG 26 10.211 -4.772 -8.869 204 HG2 ARG 26 2HG ARG 26 8.645 -4.455 -11.402 205 HG3 ARG 26 1HG ARG 26 8.417 -5.618 -10.093 206 HD2 ARG 26 2HD ARG 26 6.708 -4.145 -9.669 207 HD3 ARG 26 1HD ARG 26 7.988 -3.470 -8.663 208 HE ARG 26 HE ARG 26 7.991 -1.608 -9.987 209 HH11 ARG 26 1HH1 ARG 26 6.359 -4.183 -11.686 210 HH12 ARG 26 2HH1 ARG 26 5.830 -3.163 -12.981 211 HH21 ARG 26 1HH2 ARG 26 7.296 -0.264 -11.691 212 HH22 ARG 26 2HH2 ARG 26 6.363 -0.939 -12.985 213 H ILE 27 H ILE 27 11.855 -3.167 -7.685 214 HA ILE 27 HA ILE 27 9.989 -2.618 -5.681 215 HB ILE 27 HB ILE 27 12.969 -2.216 -5.448 216 HG12 ILE 27 2HG1 ILE 27 11.852 -4.767 -4.530 217 HG13 ILE 27 1HG1 ILE 27 11.729 -4.540 -6.271 218 HG21 ILE 27 1HG2 ILE 27 10.719 -2.296 -3.561 219 HG22 ILE 27 2HG2 ILE 27 12.299 -1.524 -3.417 220 HG23 ILE 27 3HG2 ILE 27 12.127 -3.249 -3.093 221 HD11 ILE 27 1HD1 ILE 27 13.962 -5.358 -4.766 222 HD12 ILE 27 2HD1 ILE 27 14.336 -3.770 -5.435 223 HD13 ILE 27 3HD1 ILE 27 13.854 -5.087 -6.505 224 H GLU 28 H GLU 28 12.003 -0.469 -7.557 225 HA GLU 28 HA GLU 28 11.993 1.777 -5.899 226 HB2 GLU 28 2HB GLU 28 12.944 1.159 -8.427 227 HB3 GLU 28 1HB GLU 28 11.783 2.443 -8.730 228 HG2 GLU 28 2HG GLU 28 13.683 3.656 -8.390 229 HG3 GLU 28 1HG GLU 28 13.021 3.624 -6.756 230 H GLU 29 H GLU 29 9.793 1.090 -8.635 231 HA GLU 29 HA GLU 29 8.126 3.301 -8.283 232 HB2 GLU 29 2HB GLU 29 8.039 2.010 -10.314 233 HB3 GLU 29 1HB GLU 29 7.542 0.571 -9.436 234 HG2 GLU 29 2HG GLU 29 5.638 1.468 -10.553 235 HG3 GLU 29 1HG GLU 29 5.439 1.735 -8.822 236 H LEU 30 H LEU 30 8.016 0.105 -6.832 237 HA LEU 30 HA LEU 30 5.500 0.355 -5.589 238 HB2 LEU 30 2HB LEU 30 7.832 -1.333 -4.693 239 HB3 LEU 30 1HB LEU 30 6.142 -1.577 -4.288 240 HG LEU 30 HG LEU 30 7.106 -1.675 -7.132 241 HD11 LEU 30 1HD1 LEU 30 7.600 -3.587 -4.998 242 HD12 LEU 30 2HD1 LEU 30 8.271 -3.506 -6.626 243 HD13 LEU 30 3HD1 LEU 30 6.715 -4.289 -6.352 244 HD21 LEU 30 1HD2 LEU 30 4.777 -3.104 -5.897 245 HD22 LEU 30 2HD2 LEU 30 5.070 -2.719 -7.593 246 HD23 LEU 30 3HD2 LEU 30 4.646 -1.437 -6.457 247 H LYS 31 H LYS 31 8.582 1.661 -4.798 248 HA LYS 31 HA LYS 31 8.137 1.953 -1.990 249 HB2 LYS 31 2HB LYS 31 10.392 1.853 -2.986 250 HB3 LYS 31 1HB LYS 31 10.096 3.387 -3.790 251 HG2 LYS 31 2HG LYS 31 10.694 4.529 -1.989 252 HG3 LYS 31 1HG LYS 31 9.588 3.609 -0.966 253 HD2 LYS 31 2HD LYS 31 11.200 2.011 -0.448 254 HD3 LYS 31 1HD LYS 31 12.197 2.426 -1.844 255 HE2 LYS 31 2HE LYS 31 12.534 4.688 -0.725 256 HE3 LYS 31 1HE LYS 31 11.846 3.952 0.722 257 HZ1 LYS 31 1HZ LYS 31 14.350 3.928 0.507 258 HZ2 LYS 31 2HZ LYS 31 14.150 2.760 -0.699 259 HZ3 LYS 31 3HZ LYS 31 13.616 2.449 0.875 260 H LYS 32 H LYS 32 8.217 4.330 -4.658 261 HA LYS 32 HA LYS 32 7.464 6.560 -3.209 262 HB2 LYS 32 2HB LYS 32 7.383 5.767 -6.049 263 HB3 LYS 32 1HB LYS 32 6.288 7.070 -5.603 264 HG2 LYS 32 2HG LYS 32 7.999 8.505 -5.053 265 HG3 LYS 32 1HG LYS 32 9.143 7.195 -4.750 266 HD2 LYS 32 2HD LYS 32 9.409 6.779 -7.076 267 HD3 LYS 32 1HD LYS 32 8.051 7.830 -7.485 268 HE2 LYS 32 2HE LYS 32 9.711 9.309 -7.904 269 HE3 LYS 32 1HE LYS 32 9.584 9.588 -6.168 270 HZ1 LYS 32 1HZ LYS 32 11.841 9.276 -6.531 271 HZ2 LYS 32 2HZ LYS 32 11.607 8.018 -7.638 272 HZ3 LYS 32 3HZ LYS 32 11.335 7.755 -5.989 273 H LYS 33 H LYS 33 5.325 4.341 -4.989 274 HA LYS 33 HA LYS 33 2.930 5.627 -4.208 275 HB2 LYS 33 2HB LYS 33 3.657 3.544 -5.941 276 HB3 LYS 33 1HB LYS 33 2.529 2.833 -4.796 277 HG2 LYS 33 2HG LYS 33 1.908 5.414 -6.180 278 HG3 LYS 33 1HG LYS 33 1.597 3.856 -6.949 279 HD2 LYS 33 2HD LYS 33 0.553 4.622 -4.228 280 HD3 LYS 33 1HD LYS 33 -0.359 4.837 -5.723 281 HE2 LYS 33 2HE LYS 33 0.632 2.245 -4.549 282 HE3 LYS 33 1HE LYS 33 -1.042 2.781 -4.679 283 HZ1 LYS 33 1HZ LYS 33 0.698 1.632 -6.697 284 HZ2 LYS 33 2HZ LYS 33 -0.282 2.905 -7.224 285 HZ3 LYS 33 3HZ LYS 33 -0.983 1.531 -6.530 286 H CYS 34 H CYS 34 4.932 3.272 -2.639 287 HA CYS 34 HA CYS 34 3.057 2.038 -0.965 288 HB2 CYS 34 2HB CYS 34 5.847 2.004 -1.299 289 HB3 CYS 34 1HB CYS 34 5.586 2.414 0.386 290 H GLU 35 H GLU 35 5.255 4.736 -0.139 291 HA GLU 35 HA GLU 35 4.061 5.208 2.374 292 HB2 GLU 35 2HB GLU 35 5.338 7.398 2.257 293 HB3 GLU 35 1HB GLU 35 6.288 5.923 2.142 294 HG2 GLU 35 2HG GLU 35 7.064 6.475 0.143 295 HG3 GLU 35 1HG GLU 35 5.447 6.840 -0.454 296 H GLU 36 H GLU 36 3.853 7.104 -0.646 297 HA GLU 36 HA GLU 36 2.157 9.083 0.175 298 HB2 GLU 36 2HB GLU 36 3.216 8.877 -2.084 299 HB3 GLU 36 1HB GLU 36 1.983 7.694 -2.501 300 HG2 GLU 36 2HG GLU 36 0.558 9.874 -1.545 301 HG3 GLU 36 1HG GLU 36 1.858 10.577 -2.508 302 H LEU 37 H LEU 37 1.423 5.754 -0.421 303 HA LEU 37 HA LEU 37 -1.388 5.986 -0.653 304 HB2 LEU 37 2HB LEU 37 -0.380 4.023 -1.494 305 HB3 LEU 37 1HB LEU 37 0.468 3.718 0.007 306 HG LEU 37 HG LEU 37 -1.448 2.889 1.068 307 HD11 LEU 37 1HD1 LEU 37 -3.334 4.051 0.809 308 HD12 LEU 37 2HD1 LEU 37 -3.618 3.063 -0.624 309 HD13 LEU 37 3HD1 LEU 37 -2.850 4.642 -0.780 310 HD21 LEU 37 1HD2 LEU 37 -0.534 1.745 -1.250 311 HD22 LEU 37 2HD2 LEU 37 -2.280 1.784 -1.499 312 HD23 LEU 37 3HD2 LEU 37 -1.610 0.980 -0.080 313 H LYS 38 H LYS 38 0.778 5.396 2.085 314 HA LYS 38 HA LYS 38 -1.194 4.845 4.006 315 HB2 LYS 38 2HB LYS 38 1.659 5.584 4.022 316 HB3 LYS 38 1HB LYS 38 0.777 6.014 5.481 317 HG2 LYS 38 2HG LYS 38 0.186 3.766 5.903 318 HG3 LYS 38 1HG LYS 38 0.708 3.253 4.297 319 HD2 LYS 38 2HD LYS 38 3.031 3.893 4.910 320 HD3 LYS 38 1HD LYS 38 2.462 4.244 6.543 321 HE2 LYS 38 2HE LYS 38 2.049 1.568 5.238 322 HE3 LYS 38 1HE LYS 38 3.513 1.956 6.142 323 HZ1 LYS 38 1HZ LYS 38 1.038 2.557 7.513 324 HZ2 LYS 38 2HZ LYS 38 2.442 1.814 8.090 325 HZ3 LYS 38 3HZ LYS 38 1.303 0.910 7.228 326 H LYS 39 H LYS 39 0.562 7.906 3.461 327 HA LYS 39 HA LYS 39 -0.841 9.492 5.232 328 HB2 LYS 39 2HB LYS 39 -0.116 11.404 3.844 329 HB3 LYS 39 1HB LYS 39 1.185 10.263 4.153 330 HG2 LYS 39 2HG LYS 39 0.573 9.255 1.875 331 HG3 LYS 39 1HG LYS 39 -0.311 10.760 1.610 332 HD2 LYS 39 2HD LYS 39 2.041 11.736 2.496 333 HD3 LYS 39 1HD LYS 39 2.595 10.254 1.714 334 HE2 LYS 39 2HE LYS 39 2.584 11.452 -0.174 335 HE3 LYS 39 1HE LYS 39 0.831 11.268 -0.121 336 HZ1 LYS 39 1HZ LYS 39 2.403 13.555 0.934 337 HZ2 LYS 39 2HZ LYS 39 0.735 13.368 1.137 338 HZ3 LYS 39 3HZ LYS 39 1.380 13.566 -0.414 339 H LYS 40 H LYS 40 -1.791 8.332 2.094 340 HA LYS 40 HA LYS 40 -3.882 10.195 1.629 341 HB2 LYS 40 2HB LYS 40 -2.675 8.338 0.093 342 HB3 LYS 40 1HB LYS 40 -4.135 7.457 0.519 343 HG2 LYS 40 2HG LYS 40 -5.507 9.239 -0.383 344 HG3 LYS 40 1HG LYS 40 -4.065 10.188 -0.747 345 HD2 LYS 40 2HD LYS 40 -3.349 8.114 -2.126 346 HD3 LYS 40 1HD LYS 40 -5.057 7.677 -2.045 347 HE2 LYS 40 2HE LYS 40 -5.652 9.836 -3.035 348 HE3 LYS 40 1HE LYS 40 -3.945 10.267 -3.117 349 HZ1 LYS 40 1HZ LYS 40 -4.152 9.438 -5.183 350 HZ2 LYS 40 2HZ LYS 40 -5.487 8.472 -4.800 351 HZ3 LYS 40 3HZ LYS 40 -3.926 7.948 -4.412 352 H ILE 41 H ILE 41 -3.631 7.281 3.510 353 HA ILE 41 HA ILE 41 -6.446 6.815 3.744 354 HB ILE 41 HB ILE 41 -4.350 5.876 5.697 355 HG12 ILE 41 2HG1 ILE 41 -5.095 4.702 3.011 356 HG13 ILE 41 1HG1 ILE 41 -3.517 5.309 3.498 357 HG21 ILE 41 1HG2 ILE 41 -7.017 5.616 5.821 358 HG22 ILE 41 2HG2 ILE 41 -5.897 4.412 6.455 359 HG23 ILE 41 3HG2 ILE 41 -6.623 4.188 4.864 360 HD11 ILE 41 1HD1 ILE 41 -3.736 2.824 3.455 361 HD12 ILE 41 2HD1 ILE 41 -4.864 2.963 4.803 362 HD13 ILE 41 3HD1 ILE 41 -3.194 3.494 4.993 363 H GLU 42 H GLU 42 -4.069 8.708 5.468 364 HA GLU 42 HA GLU 42 -5.629 9.189 7.796 365 HB2 GLU 42 2HB GLU 42 -3.264 10.606 6.575 366 HB3 GLU 42 1HB GLU 42 -4.029 11.162 8.058 367 HG2 GLU 42 2HG GLU 42 -2.911 8.395 7.693 368 HG3 GLU 42 1HG GLU 42 -2.000 9.742 8.373 369 H GLU 43 H GLU 43 -5.329 10.741 4.668 370 HA GLU 43 HA GLU 43 -6.821 13.075 5.360 371 HB2 GLU 43 2HB GLU 43 -6.741 13.626 3.040 372 HB3 GLU 43 1HB GLU 43 -5.189 12.914 3.453 373 HG2 GLU 43 2HG GLU 43 -5.480 11.162 2.087 374 HG3 GLU 43 1HG GLU 43 -7.201 11.030 2.433 375 H LEU 44 H LEU 44 -7.592 9.886 4.249 376 HA LEU 44 HA LEU 44 -10.151 10.277 3.216 377 HB2 LEU 44 2HB LEU 44 -8.554 8.038 4.198 378 HB3 LEU 44 1HB LEU 44 -10.272 7.807 4.447 379 HG LEU 44 HG LEU 44 -8.920 8.351 1.803 380 HD11 LEU 44 1HD1 LEU 44 -8.462 6.125 2.407 381 HD12 LEU 44 2HD1 LEU 44 -9.847 6.042 1.318 382 HD13 LEU 44 3HD1 LEU 44 -10.083 5.882 3.058 383 HD21 LEU 44 1HD2 LEU 44 -11.021 9.351 1.607 384 HD22 LEU 44 2HD2 LEU 44 -11.803 8.116 2.595 385 HD23 LEU 44 3HD2 LEU 44 -11.262 7.727 0.962 386 H GLY 45 H GLY 45 -12.188 9.386 4.294 387 HA2 GLY 45 2HA GLY 45 -12.280 10.173 7.136 388 HA3 GLY 45 1HA GLY 45 -13.455 10.807 5.994 389 H GLY 46 H GLY 46 -15.345 9.802 5.997 390 HA2 GLY 46 2HA GLY 46 -15.720 7.343 7.408 391 HA3 GLY 46 1HA GLY 46 -16.946 8.223 6.509 392 H GLY 47 H GLY 47 -17.863 6.624 5.332 393 HA2 GLY 47 2HA GLY 47 -16.158 4.735 3.900 394 HA3 GLY 47 1HA GLY 47 -17.908 4.660 4.036 395 H GLY 48 H GLY 48 -17.095 4.140 1.625 396 HA2 GLY 48 2HA GLY 48 -17.893 4.892 -0.473 397 HA3 GLY 48 1HA GLY 48 -17.824 6.544 0.120 398 H GLU 49 H GLU 49 -15.687 7.516 0.384 399 HA GLU 49 HA GLU 49 -14.093 7.171 -1.908 400 HB2 GLU 49 2HB GLU 49 -14.335 9.261 -0.488 401 HB3 GLU 49 1HB GLU 49 -13.214 8.518 0.643 402 HG2 GLU 49 2HG GLU 49 -11.468 8.509 -0.974 403 HG3 GLU 49 1HG GLU 49 -12.577 8.995 -2.254 404 H VAL 50 H VAL 50 -14.110 5.509 1.081 405 HA VAL 50 HA VAL 50 -11.408 4.793 1.326 406 HB VAL 50 HB VAL 50 -13.784 3.113 2.130 407 HG11 VAL 50 1HG1 VAL 50 -11.719 1.881 2.248 408 HG12 VAL 50 2HG1 VAL 50 -12.233 2.294 3.884 409 HG13 VAL 50 3HG1 VAL 50 -10.935 3.204 3.112 410 HG21 VAL 50 1HG2 VAL 50 -13.376 5.678 2.925 411 HG22 VAL 50 2HG2 VAL 50 -12.476 4.790 4.153 412 HG23 VAL 50 3HG2 VAL 50 -14.186 4.448 3.894 413 H LYS 51 H LYS 51 -13.745 3.848 -0.985 414 HA LYS 51 HA LYS 51 -12.707 1.256 -1.572 415 HB2 LYS 51 2HB LYS 51 -15.028 2.352 -2.148 416 HB3 LYS 51 1HB LYS 51 -14.188 2.882 -3.599 417 HG2 LYS 51 2HG LYS 51 -13.753 0.068 -3.045 418 HG3 LYS 51 1HG LYS 51 -15.463 0.466 -3.231 419 HD2 LYS 51 2HD LYS 51 -15.072 1.421 -5.392 420 HD3 LYS 51 1HD LYS 51 -13.323 1.288 -5.189 421 HE2 LYS 51 2HE LYS 51 -14.006 -0.493 -6.610 422 HE3 LYS 51 1HE LYS 51 -13.620 -1.194 -5.039 423 HZ1 LYS 51 1HZ LYS 51 -15.936 -1.342 -4.521 424 HZ2 LYS 51 2HZ LYS 51 -15.691 -2.061 -6.032 425 HZ3 LYS 51 3HZ LYS 51 -16.369 -0.515 -5.933 426 H LYS 52 H LYS 52 -12.041 4.506 -2.698 427 HA LYS 52 HA LYS 52 -10.550 3.811 -4.998 428 HB2 LYS 52 2HB LYS 52 -11.372 6.047 -4.790 429 HB3 LYS 52 1HB LYS 52 -10.557 6.271 -3.250 430 HG2 LYS 52 2HG LYS 52 -9.366 7.473 -4.939 431 HG3 LYS 52 1HG LYS 52 -8.385 6.099 -4.424 432 HD2 LYS 52 2HD LYS 52 -8.326 5.299 -6.501 433 HD3 LYS 52 1HD LYS 52 -10.088 5.332 -6.610 434 HE2 LYS 52 2HE LYS 52 -9.065 6.687 -8.365 435 HE3 LYS 52 1HE LYS 52 -10.012 7.681 -7.260 436 HZ1 LYS 52 1HZ LYS 52 -7.154 7.664 -7.746 437 HZ2 LYS 52 2HZ LYS 52 -7.607 7.816 -6.124 438 HZ3 LYS 52 3HZ LYS 52 -8.165 8.933 -7.265 439 H VAL 53 H VAL 53 -9.425 4.869 -1.779 440 HA VAL 53 HA VAL 53 -6.701 4.402 -2.228 441 HB VAL 53 HB VAL 53 -8.095 4.170 0.441 442 HG11 VAL 53 1HG1 VAL 53 -5.487 5.447 0.343 443 HG12 VAL 53 2HG1 VAL 53 -5.449 3.782 -0.240 444 HG13 VAL 53 3HG1 VAL 53 -6.069 4.138 1.372 445 HG21 VAL 53 1HG2 VAL 53 -7.291 6.592 -1.144 446 HG22 VAL 53 2HG2 VAL 53 -7.464 6.636 0.611 447 HG23 VAL 53 3HG2 VAL 53 -8.849 6.227 -0.402 448 H GLU 54 H GLU 54 -9.291 2.221 -1.469 449 HA GLU 54 HA GLU 54 -7.756 0.088 -0.423 450 HB2 GLU 54 2HB GLU 54 -10.505 0.458 -1.444 451 HB3 GLU 54 1HB GLU 54 -9.875 -1.180 -1.554 452 HG2 GLU 54 2HG GLU 54 -9.239 -0.209 1.020 453 HG3 GLU 54 1HG GLU 54 -10.926 0.192 0.705 454 H GLU 55 H GLU 55 -8.669 1.037 -3.681 455 HA GLU 55 HA GLU 55 -7.678 -1.318 -4.951 456 HB2 GLU 55 2HB GLU 55 -9.392 0.107 -5.987 457 HB3 GLU 55 1HB GLU 55 -8.233 1.424 -6.099 458 HG2 GLU 55 2HG GLU 55 -6.973 -0.700 -7.353 459 HG3 GLU 55 1HG GLU 55 -8.656 -0.826 -7.861 460 H GLU 56 H GLU 56 -6.298 1.698 -3.932 461 HA GLU 56 HA GLU 56 -3.961 1.616 -5.547 462 HB2 GLU 56 2HB GLU 56 -4.823 3.137 -3.119 463 HB3 GLU 56 1HB GLU 56 -3.134 3.182 -3.600 464 HG2 GLU 56 2HG GLU 56 -3.546 4.428 -5.443 465 HG3 GLU 56 1HG GLU 56 -5.137 3.715 -5.707 466 H VAL 57 H VAL 57 -4.856 0.213 -2.486 467 HA VAL 57 HA VAL 57 -2.148 -0.515 -1.779 468 HB VAL 57 HB VAL 57 -4.700 -1.518 -0.518 469 HG11 VAL 57 1HG1 VAL 57 -3.096 -2.841 0.403 470 HG12 VAL 57 2HG1 VAL 57 -2.946 -1.451 1.477 471 HG13 VAL 57 3HG1 VAL 57 -1.813 -1.661 0.142 472 HG21 VAL 57 1HG2 VAL 57 -3.946 1.129 -0.650 473 HG22 VAL 57 2HG2 VAL 57 -3.296 0.601 0.903 474 HG23 VAL 57 3HG2 VAL 57 -5.016 0.415 0.556 475 H LYS 58 H LYS 58 -4.833 -1.911 -3.453 476 HA LYS 58 HA LYS 58 -4.001 -4.634 -3.222 477 HB2 LYS 58 2HB LYS 58 -6.179 -3.145 -4.461 478 HB3 LYS 58 1HB LYS 58 -5.633 -4.491 -5.452 479 HG2 LYS 58 2HG LYS 58 -6.047 -6.047 -3.679 480 HG3 LYS 58 1HG LYS 58 -6.409 -4.735 -2.556 481 HD2 LYS 58 2HD LYS 58 -8.245 -4.105 -4.274 482 HD3 LYS 58 1HD LYS 58 -8.024 -5.754 -4.862 483 HE2 LYS 58 2HE LYS 58 -8.578 -5.081 -1.980 484 HE3 LYS 58 1HE LYS 58 -9.847 -5.438 -3.150 485 HZ1 LYS 58 1HZ LYS 58 -9.529 -7.520 -2.403 486 HZ2 LYS 58 2HZ LYS 58 -7.950 -7.226 -1.873 487 HZ3 LYS 58 3HZ LYS 58 -8.249 -7.530 -3.510 488 H LYS 59 H LYS 59 -3.304 -2.024 -5.423 489 HA LYS 59 HA LYS 59 -2.300 -3.674 -7.530 490 HB2 LYS 59 2HB LYS 59 -3.155 -1.456 -8.016 491 HB3 LYS 59 1HB LYS 59 -1.942 -0.727 -6.973 492 HG2 LYS 59 2HG LYS 59 -0.614 -2.339 -8.908 493 HG3 LYS 59 1HG LYS 59 -1.775 -1.299 -9.735 494 HD2 LYS 59 2HD LYS 59 -0.204 0.035 -7.643 495 HD3 LYS 59 1HD LYS 59 0.744 -0.552 -9.012 496 HE2 LYS 59 2HE LYS 59 0.064 1.706 -9.460 497 HE3 LYS 59 1HE LYS 59 -0.825 0.625 -10.532 498 HZ1 LYS 59 1HZ LYS 59 -2.510 0.778 -8.482 499 HZ2 LYS 59 2HZ LYS 59 -2.563 1.828 -9.808 500 HZ3 LYS 59 3HZ LYS 59 -1.798 2.310 -8.378 501 H LEU 60 H LEU 60 -0.777 -1.868 -4.877 502 HA LEU 60 HA LEU 60 1.872 -2.521 -5.769 503 HB2 LEU 60 2HB LEU 60 0.987 -0.532 -4.269 504 HB3 LEU 60 1HB LEU 60 1.353 -1.656 -2.970 505 HG LEU 60 HG LEU 60 3.563 -1.573 -4.798 506 HD11 LEU 60 1HD1 LEU 60 3.534 0.543 -5.469 507 HD12 LEU 60 2HD1 LEU 60 3.933 0.960 -3.804 508 HD13 LEU 60 3HD1 LEU 60 2.254 0.976 -4.336 509 HD21 LEU 60 1HD2 LEU 60 4.604 -0.588 -2.612 510 HD22 LEU 60 2HD2 LEU 60 4.083 -2.271 -2.678 511 HD23 LEU 60 3HD2 LEU 60 3.058 -1.060 -1.907 512 H GLU 61 H GLU 61 -0.438 -4.003 -3.654 513 HA GLU 61 HA GLU 61 1.398 -5.606 -2.193 514 HB2 GLU 61 2HB GLU 61 -1.261 -5.037 -1.963 515 HB3 GLU 61 1HB GLU 61 -1.313 -6.676 -2.587 516 HG2 GLU 61 2HG GLU 61 0.474 -7.073 -0.684 517 HG3 GLU 61 1HG GLU 61 -0.323 -5.662 0.010 518 H GLU 62 H GLU 62 -0.708 -6.258 -4.972 519 HA GLU 62 HA GLU 62 0.170 -8.922 -5.369 520 HB2 GLU 62 2HB GLU 62 -1.909 -7.445 -6.281 521 HB3 GLU 62 1HB GLU 62 -0.868 -7.425 -7.697 522 HG2 GLU 62 2HG GLU 62 -0.745 -9.977 -7.360 523 HG3 GLU 62 1HG GLU 62 -2.163 -9.747 -6.338 524 H GLU 63 H GLU 63 1.377 -5.830 -6.384 525 HA GLU 63 HA GLU 63 2.890 -6.626 -8.614 526 HB2 GLU 63 2HB GLU 63 2.573 -4.267 -6.983 527 HB3 GLU 63 1HB GLU 63 4.270 -4.515 -7.365 528 HG2 GLU 63 2HG GLU 63 2.030 -4.380 -9.371 529 HG3 GLU 63 1HG GLU 63 3.149 -3.073 -8.987 530 H ILE 64 H ILE 64 4.017 -5.978 -5.298 531 HA ILE 64 HA ILE 64 6.629 -6.781 -5.542 532 HB ILE 64 HB ILE 64 4.904 -7.272 -3.110 533 HG12 ILE 64 2HG1 ILE 64 6.431 -4.791 -3.935 534 HG13 ILE 64 1HG1 ILE 64 4.681 -4.948 -3.876 535 HG21 ILE 64 1HG2 ILE 64 7.077 -6.879 -1.918 536 HG22 ILE 64 2HG2 ILE 64 7.875 -6.963 -3.489 537 HG23 ILE 64 3HG2 ILE 64 7.001 -8.364 -2.867 538 HD11 ILE 64 1HD1 ILE 64 6.366 -5.363 -1.437 539 HD12 ILE 64 2HD1 ILE 64 4.645 -4.990 -1.546 540 HD13 ILE 64 3HD1 ILE 64 5.841 -3.758 -1.945 541 H LYS 65 H LYS 65 3.767 -8.763 -5.343 542 HA LYS 65 HA LYS 65 4.986 -11.193 -4.597 543 HB2 LYS 65 2HB LYS 65 2.403 -10.381 -5.802 544 HB3 LYS 65 1HB LYS 65 2.888 -12.054 -6.047 545 HG2 LYS 65 2HG LYS 65 2.380 -12.607 -3.956 546 HG3 LYS 65 1HG LYS 65 3.233 -11.211 -3.295 547 HD2 LYS 65 2HD LYS 65 1.259 -9.810 -3.932 548 HD3 LYS 65 1HD LYS 65 0.414 -11.299 -4.361 549 HE2 LYS 65 2HE LYS 65 1.134 -12.010 -1.931 550 HE3 LYS 65 1HE LYS 65 1.216 -10.266 -1.684 551 HZ1 LYS 65 1HZ LYS 65 -1.118 -10.260 -2.694 552 HZ2 LYS 65 2HZ LYS 65 -0.947 -10.815 -1.105 553 HZ3 LYS 65 3HZ LYS 65 -1.128 -11.921 -2.371 554 H LYS 66 H LYS 66 4.666 -9.549 -7.663 555 HA LYS 66 HA LYS 66 5.387 -11.771 -9.294 556 HB2 LYS 66 2HB LYS 66 5.510 -8.801 -9.845 557 HB3 LYS 66 1HB LYS 66 5.743 -10.055 -11.056 558 HG2 LYS 66 2HG LYS 66 3.253 -10.251 -9.506 559 HG3 LYS 66 1HG LYS 66 3.390 -8.842 -10.559 560 HD2 LYS 66 2HD LYS 66 3.922 -11.654 -11.495 561 HD3 LYS 66 1HD LYS 66 2.334 -10.891 -11.591 562 HE2 LYS 66 2HE LYS 66 4.824 -9.707 -12.802 563 HE3 LYS 66 1HE LYS 66 3.725 -10.765 -13.684 564 HZ1 LYS 66 1HZ LYS 66 2.508 -8.500 -12.329 565 HZ2 LYS 66 2HZ LYS 66 2.172 -9.162 -13.849 566 HZ3 LYS 66 3HZ LYS 66 3.494 -8.125 -13.653 567 H LEU 67 H LEU 67 7.186 -8.861 -8.302 568 HA LEU 67 HA LEU 67 9.669 -9.733 -9.321 569 HB2 LEU 67 2HB LEU 67 10.540 -7.972 -7.638 570 HB3 LEU 67 1HB LEU 67 9.575 -7.450 -9.002 571 HG LEU 67 HG LEU 67 8.012 -8.031 -6.585 572 HD11 LEU 67 1HD1 LEU 67 9.695 -7.103 -5.298 573 HD12 LEU 67 2HD1 LEU 67 8.702 -5.700 -5.690 574 HD13 LEU 67 3HD1 LEU 67 10.202 -5.994 -6.572 575 HD21 LEU 67 1HD2 LEU 67 6.680 -6.356 -7.376 576 HD22 LEU 67 2HD2 LEU 67 7.462 -6.839 -8.879 577 HD23 LEU 67 3HD2 LEU 67 8.037 -5.422 -8.002 578 H6 HTS 101 H6 HTS 68 7.928 3.415 3.830 579 H3 HTS 101 H3 HTS 68 7.771 -0.743 1.188 580 H4 HTS 101 H4 HTS 68 9.937 0.304 1.707 581 H5 HTS 101 H5 HTS 68 10.016 2.376 3.035 582 HO1 HTS 101 HO1 HTS 68 5.288 3.239 2.849 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -14.704 0.964 15.669 2 H2 GLY 1 2H GLY 1 -13.482 2.056 16.087 3 H3 GLY 1 3H GLY 1 -13.274 0.402 16.379 4 HA2 GLY 1 1HA GLY 1 -13.745 1.342 13.632 5 HA3 GLY 1 2HA GLY 1 -12.142 1.496 14.335 6 H SER 2 H SER 2 -13.867 -0.375 12.361 7 HA SER 2 HA SER 2 -12.130 -2.656 12.792 8 HB2 SER 2 2HB SER 2 -13.836 -4.297 13.026 9 HB3 SER 2 1HB SER 2 -14.241 -3.023 14.177 10 HG SER 2 HG SER 2 -15.415 -3.545 11.656 11 H ARG 3 H ARG 3 -12.483 -0.611 10.751 12 HA ARG 3 HA ARG 3 -12.871 -2.400 8.466 13 HB2 ARG 3 2HB ARG 3 -14.451 -0.001 9.108 14 HB3 ARG 3 1HB ARG 3 -13.841 -0.051 7.460 15 HG2 ARG 3 2HG ARG 3 -14.838 -2.358 7.286 16 HG3 ARG 3 1HG ARG 3 -15.635 -2.037 8.827 17 HD2 ARG 3 2HD ARG 3 -15.986 0.131 6.925 18 HD3 ARG 3 1HD ARG 3 -16.595 -1.404 6.310 19 HE ARG 3 HE ARG 3 -18.247 -1.376 7.914 20 HH11 ARG 3 1HH1 ARG 3 -15.936 1.161 8.567 21 HH12 ARG 3 2HH1 ARG 3 -16.922 1.917 9.773 22 HH21 ARG 3 1HH2 ARG 3 -19.541 -0.380 9.498 23 HH22 ARG 3 2HH2 ARG 3 -18.967 1.044 10.302 24 H VAL 4 H VAL 4 -12.301 1.099 8.751 25 HA VAL 4 HA VAL 4 -10.237 1.088 6.813 26 HB VAL 4 HB VAL 4 -10.711 3.220 8.898 27 HG11 VAL 4 1HG1 VAL 4 -9.533 4.666 7.539 28 HG12 VAL 4 2HG1 VAL 4 -9.791 3.686 6.095 29 HG13 VAL 4 3HG1 VAL 4 -8.639 3.160 7.322 30 HG21 VAL 4 1HG2 VAL 4 -11.996 4.150 6.726 31 HG22 VAL 4 2HG2 VAL 4 -12.794 3.255 8.020 32 HG23 VAL 4 3HG2 VAL 4 -12.304 2.423 6.545 33 H LYS 5 H LYS 5 -10.261 0.763 10.294 34 HA LYS 5 HA LYS 5 -7.593 1.355 10.867 35 HB2 LYS 5 2HB LYS 5 -9.690 0.654 12.377 36 HB3 LYS 5 1HB LYS 5 -8.872 -0.901 12.322 37 HG2 LYS 5 2HG LYS 5 -7.322 1.545 13.033 38 HG3 LYS 5 1HG LYS 5 -8.368 0.790 14.236 39 HD2 LYS 5 2HD LYS 5 -7.195 -1.342 13.897 40 HD3 LYS 5 1HD LYS 5 -6.136 -0.563 12.719 41 HE2 LYS 5 2HE LYS 5 -5.653 1.096 14.670 42 HE3 LYS 5 1HE LYS 5 -6.265 -0.209 15.685 43 HZ1 LYS 5 1HZ LYS 5 -4.061 -0.527 13.722 44 HZ2 LYS 5 2HZ LYS 5 -4.579 -1.663 14.863 45 HZ3 LYS 5 3HZ LYS 5 -3.826 -0.237 15.373 46 H ALA 6 H ALA 6 -9.065 -1.469 9.458 47 HA ALA 6 HA ALA 6 -6.753 -3.153 9.732 48 HB1 ALA 6 1HB ALA 6 -9.451 -3.394 8.553 49 HB2 ALA 6 2HB ALA 6 -8.550 -4.517 9.571 50 HB3 ALA 6 3HB ALA 6 -8.191 -4.407 7.848 51 H LEU 7 H LEU 7 -7.909 -0.831 7.441 52 HA LEU 7 HA LEU 7 -6.426 -1.718 5.186 53 HB2 LEU 7 2HB LEU 7 -8.354 0.205 5.689 54 HB3 LEU 7 1HB LEU 7 -6.931 1.151 5.297 55 HG LEU 7 HG LEU 7 -7.994 -1.051 3.534 56 HD11 LEU 7 1HD1 LEU 7 -8.403 1.909 3.181 57 HD12 LEU 7 2HD1 LEU 7 -9.617 0.825 3.860 58 HD13 LEU 7 3HD1 LEU 7 -9.066 0.601 2.200 59 HD21 LEU 7 1HD2 LEU 7 -5.546 0.248 3.556 60 HD22 LEU 7 2HD2 LEU 7 -6.469 1.092 2.313 61 HD23 LEU 7 3HD2 LEU 7 -6.245 -0.655 2.211 62 H GLU 8 H GLU 8 -5.692 0.347 7.914 63 HA GLU 8 HA GLU 8 -3.250 1.352 6.753 64 HB2 GLU 8 2HB GLU 8 -4.275 1.549 9.589 65 HB3 GLU 8 1HB GLU 8 -2.923 2.451 8.918 66 HG2 GLU 8 2HG GLU 8 -4.322 3.727 7.532 67 HG3 GLU 8 1HG GLU 8 -5.685 2.634 7.767 68 H GLU 9 H GLU 9 -4.155 -1.105 9.118 69 HA GLU 9 HA GLU 9 -1.490 -1.683 9.935 70 HB2 GLU 9 2HB GLU 9 -2.407 -3.509 11.147 71 HB3 GLU 9 1HB GLU 9 -3.582 -2.206 11.243 72 HG2 GLU 9 2HG GLU 9 -5.014 -3.864 10.742 73 HG3 GLU 9 1HG GLU 9 -4.529 -3.474 9.094 74 H LYS 10 H LYS 10 -3.346 -2.530 7.187 75 HA LYS 10 HA LYS 10 -2.014 -4.982 6.564 76 HB2 LYS 10 2HB LYS 10 -4.218 -3.497 5.561 77 HB3 LYS 10 1HB LYS 10 -3.103 -3.743 4.224 78 HG2 LYS 10 2HG LYS 10 -4.137 -5.946 5.996 79 HG3 LYS 10 1HG LYS 10 -4.837 -5.501 4.438 80 HD2 LYS 10 2HD LYS 10 -3.427 -7.016 3.579 81 HD3 LYS 10 1HD LYS 10 -2.185 -5.786 3.822 82 HE2 LYS 10 2HE LYS 10 -2.315 -6.939 6.288 83 HE3 LYS 10 1HE LYS 10 -2.645 -8.314 5.234 84 HZ1 LYS 10 1HZ LYS 10 -0.313 -8.193 5.561 85 HZ2 LYS 10 2HZ LYS 10 -0.266 -6.544 5.185 86 HZ3 LYS 10 3HZ LYS 10 -0.609 -7.677 3.977 87 H VAL 11 H VAL 11 -1.841 -1.692 5.216 88 HA VAL 11 HA VAL 11 0.265 -2.188 3.431 89 HB VAL 11 HB VAL 11 -0.286 0.460 4.768 90 HG11 VAL 11 1HG1 VAL 11 0.915 -0.279 2.103 91 HG12 VAL 11 2HG1 VAL 11 1.746 0.446 3.479 92 HG13 VAL 11 3HG1 VAL 11 0.519 1.365 2.606 93 HG21 VAL 11 1HG2 VAL 11 -1.533 0.202 2.198 94 HG22 VAL 11 2HG2 VAL 11 -2.257 0.609 3.754 95 HG23 VAL 11 3HG2 VAL 11 -2.099 -1.079 3.269 96 H LYS 12 H LYS 12 0.247 -1.502 6.823 97 HA LYS 12 HA LYS 12 2.862 -0.610 7.201 98 HB2 LYS 12 2HB LYS 12 0.756 -1.058 8.846 99 HB3 LYS 12 1HB LYS 12 1.779 -2.423 9.273 100 HG2 LYS 12 2HG LYS 12 3.187 0.139 9.132 101 HG3 LYS 12 1HG LYS 12 1.937 0.055 10.374 102 HD2 LYS 12 2HD LYS 12 3.730 -2.283 10.170 103 HD3 LYS 12 1HD LYS 12 4.467 -0.786 10.746 104 HE2 LYS 12 2HE LYS 12 2.245 -0.764 12.231 105 HE3 LYS 12 1HE LYS 12 2.412 -2.505 12.005 106 HZ1 LYS 12 1HZ LYS 12 3.727 -2.298 13.802 107 HZ2 LYS 12 2HZ LYS 12 4.069 -0.666 13.524 108 HZ3 LYS 12 3HZ LYS 12 4.901 -1.861 12.665 109 H ALA 13 H ALA 13 1.567 -3.865 6.872 110 HA ALA 13 HA ALA 13 4.108 -5.129 7.427 111 HB1 ALA 13 1HB ALA 13 2.645 -7.087 6.273 112 HB2 ALA 13 2HB ALA 13 1.359 -6.021 6.840 113 HB3 ALA 13 3HB ALA 13 2.541 -6.662 7.981 114 H LEU 14 H LEU 14 2.393 -3.855 4.757 115 HA LEU 14 HA LEU 14 3.608 -5.231 2.622 116 HB2 LEU 14 2HB LEU 14 1.525 -3.669 2.772 117 HB3 LEU 14 1HB LEU 14 2.670 -2.386 2.460 118 HG LEU 14 HG LEU 14 2.204 -4.767 0.657 119 HD11 LEU 14 1HD1 LEU 14 0.820 -2.208 0.938 120 HD12 LEU 14 2HD1 LEU 14 0.313 -3.694 0.136 121 HD13 LEU 14 3HD1 LEU 14 1.365 -2.555 -0.703 122 HD21 LEU 14 1HD2 LEU 14 3.965 -2.354 0.495 123 HD22 LEU 14 2HD2 LEU 14 3.367 -3.136 -0.968 124 HD23 LEU 14 3HD2 LEU 14 4.352 -4.046 0.175 125 H GLU 15 H GLU 15 4.658 -2.648 4.671 126 HA GLU 15 HA GLU 15 6.708 -1.669 2.921 127 HB2 GLU 15 2HB GLU 15 5.733 -0.116 4.453 128 HB3 GLU 15 1HB GLU 15 6.043 -1.172 5.822 129 HG2 GLU 15 2HG GLU 15 8.389 -0.770 5.693 130 HG3 GLU 15 1HG GLU 15 8.211 0.091 4.165 131 H GLU 16 H GLU 16 6.588 -3.753 5.785 132 HA GLU 16 HA GLU 16 9.301 -4.080 6.236 133 HB2 GLU 16 2HB GLU 16 6.984 -5.968 6.611 134 HB3 GLU 16 1HB GLU 16 8.620 -6.391 7.098 135 HG2 GLU 16 2HG GLU 16 8.297 -3.934 8.244 136 HG3 GLU 16 1HG GLU 16 6.677 -4.622 8.365 137 H LYS 17 H LYS 17 7.316 -5.384 3.703 138 HA LYS 17 HA LYS 17 9.152 -7.434 2.906 139 HB2 LYS 17 2HB LYS 17 6.591 -7.241 2.467 140 HB3 LYS 17 1HB LYS 17 7.073 -6.261 1.090 141 HG2 LYS 17 2HG LYS 17 6.837 -8.402 0.214 142 HG3 LYS 17 1HG LYS 17 8.578 -8.225 0.450 143 HD2 LYS 17 2HD LYS 17 8.366 -10.238 1.453 144 HD3 LYS 17 1HD LYS 17 7.884 -9.257 2.838 145 HE2 LYS 17 2HE LYS 17 5.626 -9.709 2.533 146 HE3 LYS 17 1HE LYS 17 5.847 -10.172 0.846 147 HZ1 LYS 17 1HZ LYS 17 5.453 -12.130 2.112 148 HZ2 LYS 17 2HZ LYS 17 6.641 -11.726 3.247 149 HZ3 LYS 17 3HZ LYS 17 7.086 -12.143 1.669 150 H VAL 18 H VAL 18 8.297 -4.226 1.622 151 HA VAL 18 HA VAL 18 10.197 -4.314 -0.489 152 HB VAL 18 HB VAL 18 9.136 -1.765 0.671 153 HG11 VAL 18 1HG1 VAL 18 9.443 -2.406 -2.228 154 HG12 VAL 18 2HG1 VAL 18 10.860 -1.989 -1.265 155 HG13 VAL 18 3HG1 VAL 18 9.525 -0.846 -1.409 156 HG21 VAL 18 1HG2 VAL 18 7.121 -2.893 0.512 157 HG22 VAL 18 2HG2 VAL 18 7.662 -3.871 -0.854 158 HG23 VAL 18 3HG2 VAL 18 7.257 -2.171 -1.091 159 H LYS 19 H LYS 19 10.184 -2.631 2.653 160 HA LYS 19 HA LYS 19 12.596 -1.320 2.468 161 HB2 LYS 19 2HB LYS 19 11.114 -2.501 4.790 162 HB3 LYS 19 1HB LYS 19 12.688 -1.756 5.035 163 HG2 LYS 19 2HG LYS 19 11.227 0.061 3.490 164 HG3 LYS 19 1HG LYS 19 10.114 -0.528 4.723 165 HD2 LYS 19 2HD LYS 19 11.418 0.270 6.467 166 HD3 LYS 19 1HD LYS 19 12.882 0.312 5.483 167 HE2 LYS 19 2HE LYS 19 12.262 2.285 4.422 168 HE3 LYS 19 1HE LYS 19 10.558 2.080 4.827 169 HZ1 LYS 19 1HZ LYS 19 11.579 2.268 7.255 170 HZ2 LYS 19 2HZ LYS 19 11.091 3.623 6.368 171 HZ3 LYS 19 3HZ LYS 19 12.725 3.193 6.422 172 H ALA 20 H ALA 20 11.997 -4.712 3.064 173 HA ALA 20 HA ALA 20 14.759 -5.262 3.751 174 HB1 ALA 20 1HB ALA 20 12.577 -6.469 4.572 175 HB2 ALA 20 2HB ALA 20 14.078 -7.366 4.345 176 HB3 ALA 20 3HB ALA 20 12.818 -7.427 3.112 177 H LEU 21 H LEU 21 13.016 -4.857 0.895 178 HA LEU 21 HA LEU 21 14.368 -6.790 -0.720 179 HB2 LEU 21 2HB LEU 21 12.139 -5.108 -0.932 180 HB3 LEU 21 1HB LEU 21 13.248 -4.553 -2.160 181 HG LEU 21 HG LEU 21 12.321 -7.411 -1.887 182 HD11 LEU 21 1HD1 LEU 21 10.367 -6.558 -2.605 183 HD12 LEU 21 2HD1 LEU 21 11.187 -6.530 -4.165 184 HD13 LEU 21 3HD1 LEU 21 11.105 -5.066 -3.186 185 HD21 LEU 21 1HD2 LEU 21 13.100 -7.326 -4.367 186 HD22 LEU 21 2HD2 LEU 21 14.292 -7.524 -3.082 187 HD23 LEU 21 3HD2 LEU 21 14.054 -5.944 -3.829 188 H GLY 22 H GLY 22 15.648 -6.079 -2.649 189 HA2 GLY 22 2HA GLY 22 17.894 -4.559 -1.820 190 HA3 GLY 22 1HA GLY 22 17.604 -5.169 -3.443 191 H GLY 23 H GLY 23 16.223 -3.904 -4.862 192 HA2 GLY 23 2HA GLY 23 14.947 -1.715 -4.941 193 HA3 GLY 23 1HA GLY 23 16.387 -1.030 -4.205 194 H GLY 24 H GLY 24 14.832 -1.033 -6.976 195 HA2 GLY 24 2HA GLY 24 16.339 0.142 -8.697 196 HA3 GLY 24 1HA GLY 24 17.220 -1.379 -8.665 197 H GLY 25 H GLY 25 14.252 0.210 -9.620 198 HA2 GLY 25 2HA GLY 25 13.392 -0.431 -11.832 199 HA3 GLY 25 1HA GLY 25 13.684 -2.102 -11.373 200 H ARG 26 H ARG 26 11.935 -3.198 -10.817 201 HA ARG 26 HA ARG 26 9.392 -2.075 -10.586 202 HB2 ARG 26 2HB ARG 26 8.606 -4.234 -10.075 203 HB3 ARG 26 1HB ARG 26 10.015 -4.498 -11.092 204 HG2 ARG 26 2HG ARG 26 10.054 -4.642 -8.084 205 HG3 ARG 26 1HG ARG 26 9.846 -6.036 -9.146 206 HD2 ARG 26 2HD ARG 26 12.028 -5.265 -10.252 207 HD3 ARG 26 1HD ARG 26 12.239 -4.258 -8.820 208 HE ARG 26 HE ARG 26 11.809 -6.645 -7.718 209 HH11 ARG 26 1HH1 ARG 26 13.904 -5.701 -10.348 210 HH12 ARG 26 2HH1 ARG 26 15.066 -6.944 -10.031 211 HH21 ARG 26 1HH2 ARG 26 13.340 -8.275 -7.299 212 HH22 ARG 26 2HH2 ARG 26 14.747 -8.404 -8.300 213 H ILE 27 H ILE 27 11.869 -2.571 -8.208 214 HA ILE 27 HA ILE 27 10.187 -2.356 -5.921 215 HB ILE 27 HB ILE 27 13.161 -1.872 -6.108 216 HG12 ILE 27 2HG1 ILE 27 11.894 -4.411 -5.136 217 HG13 ILE 27 1HG1 ILE 27 12.130 -4.156 -6.862 218 HG21 ILE 27 1HG2 ILE 27 11.378 -2.486 -3.755 219 HG22 ILE 27 2HG2 ILE 27 12.226 -0.973 -4.070 220 HG23 ILE 27 3HG2 ILE 27 13.140 -2.436 -3.705 221 HD11 ILE 27 1HD1 ILE 27 13.965 -5.417 -5.960 222 HD12 ILE 27 2HD1 ILE 27 14.263 -4.175 -4.744 223 HD13 ILE 27 3HD1 ILE 27 14.533 -3.821 -6.450 224 H GLU 28 H GLU 28 11.854 -0.077 -7.969 225 HA GLU 28 HA GLU 28 11.882 2.135 -6.234 226 HB2 GLU 28 2HB GLU 28 13.056 1.785 -8.514 227 HB3 GLU 28 1HB GLU 28 11.562 2.398 -9.208 228 HG2 GLU 28 2HG GLU 28 12.081 4.271 -7.310 229 HG3 GLU 28 1HG GLU 28 13.708 3.805 -7.804 230 H GLU 29 H GLU 29 9.584 1.389 -8.872 231 HA GLU 29 HA GLU 29 7.840 3.516 -8.369 232 HB2 GLU 29 2HB GLU 29 7.765 2.265 -10.450 233 HB3 GLU 29 1HB GLU 29 7.277 0.810 -9.592 234 HG2 GLU 29 2HG GLU 29 5.171 1.371 -9.969 235 HG3 GLU 29 1HG GLU 29 5.392 2.746 -8.888 236 H LEU 30 H LEU 30 7.821 0.203 -7.139 237 HA LEU 30 HA LEU 30 5.374 0.346 -5.768 238 HB2 LEU 30 2HB LEU 30 7.796 -1.355 -5.187 239 HB3 LEU 30 1HB LEU 30 6.198 -1.611 -4.512 240 HG LEU 30 HG LEU 30 6.744 -1.675 -7.473 241 HD11 LEU 30 1HD1 LEU 30 7.873 -3.439 -5.791 242 HD12 LEU 30 2HD1 LEU 30 7.317 -3.854 -7.412 243 HD13 LEU 30 3HD1 LEU 30 6.296 -4.197 -6.016 244 HD21 LEU 30 1HD2 LEU 30 4.492 -2.953 -5.956 245 HD22 LEU 30 2HD2 LEU 30 4.608 -2.613 -7.682 246 HD23 LEU 30 3HD2 LEU 30 4.403 -1.290 -6.535 247 H LYS 31 H LYS 31 8.465 1.656 -4.999 248 HA LYS 31 HA LYS 31 8.080 1.786 -2.165 249 HB2 LYS 31 2HB LYS 31 10.320 1.758 -3.127 250 HB3 LYS 31 1HB LYS 31 9.999 3.266 -3.972 251 HG2 LYS 31 2HG LYS 31 10.355 4.524 -2.143 252 HG3 LYS 31 1HG LYS 31 9.615 3.346 -1.058 253 HD2 LYS 31 2HD LYS 31 11.887 2.053 -1.926 254 HD3 LYS 31 1HD LYS 31 12.415 3.731 -1.779 255 HE2 LYS 31 2HE LYS 31 11.201 3.623 0.522 256 HE3 LYS 31 1HE LYS 31 11.368 1.881 0.323 257 HZ1 LYS 31 1HZ LYS 31 13.340 3.822 1.033 258 HZ2 LYS 31 2HZ LYS 31 13.843 2.866 -0.267 259 HZ3 LYS 31 3HZ LYS 31 13.383 2.138 1.188 260 H LYS 32 H LYS 32 8.165 4.352 -4.653 261 HA LYS 32 HA LYS 32 7.395 6.475 -3.090 262 HB2 LYS 32 2HB LYS 32 8.130 6.668 -5.430 263 HB3 LYS 32 1HB LYS 32 6.603 5.978 -5.963 264 HG2 LYS 32 2HG LYS 32 5.588 7.977 -4.600 265 HG3 LYS 32 1HG LYS 32 7.185 8.679 -4.865 266 HD2 LYS 32 2HD LYS 32 6.929 8.359 -7.276 267 HD3 LYS 32 1HD LYS 32 5.337 7.643 -7.015 268 HE2 LYS 32 2HE LYS 32 4.954 9.892 -7.634 269 HE3 LYS 32 1HE LYS 32 4.684 9.808 -5.894 270 HZ1 LYS 32 1HZ LYS 32 6.562 11.001 -5.450 271 HZ2 LYS 32 2HZ LYS 32 6.129 11.696 -6.930 272 HZ3 LYS 32 3HZ LYS 32 7.353 10.530 -6.871 273 H LYS 33 H LYS 33 5.192 4.470 -5.048 274 HA LYS 33 HA LYS 33 2.821 5.653 -4.140 275 HB2 LYS 33 2HB LYS 33 3.444 3.819 -6.048 276 HB3 LYS 33 1HB LYS 33 2.657 2.801 -4.852 277 HG2 LYS 33 2HG LYS 33 1.338 5.340 -5.668 278 HG3 LYS 33 1HG LYS 33 1.281 3.951 -6.754 279 HD2 LYS 33 2HD LYS 33 0.434 3.892 -3.861 280 HD3 LYS 33 1HD LYS 33 -0.670 4.106 -5.220 281 HE2 LYS 33 2HE LYS 33 1.060 1.821 -5.607 282 HE3 LYS 33 1HE LYS 33 0.160 1.699 -4.095 283 HZ1 LYS 33 1HZ LYS 33 -1.803 2.423 -5.660 284 HZ2 LYS 33 2HZ LYS 33 -1.338 0.802 -5.527 285 HZ3 LYS 33 3HZ LYS 33 -0.824 1.723 -6.850 286 H CYS 34 H CYS 34 4.860 3.269 -2.673 287 HA CYS 34 HA CYS 34 3.030 1.974 -0.997 288 HB2 CYS 34 2HB CYS 34 5.791 1.944 -1.417 289 HB3 CYS 34 1HB CYS 34 5.608 2.359 0.277 290 H GLU 35 H GLU 35 5.233 4.650 -0.135 291 HA GLU 35 HA GLU 35 4.102 5.035 2.418 292 HB2 GLU 35 2HB GLU 35 5.345 7.248 2.334 293 HB3 GLU 35 1HB GLU 35 6.309 5.789 2.150 294 HG2 GLU 35 2HG GLU 35 7.015 6.400 0.141 295 HG3 GLU 35 1HG GLU 35 5.381 6.788 -0.390 296 H GLU 36 H GLU 36 3.809 7.080 -0.497 297 HA GLU 36 HA GLU 36 2.089 8.975 0.442 298 HB2 GLU 36 2HB GLU 36 3.161 8.701 -1.893 299 HB3 GLU 36 1HB GLU 36 1.707 7.797 -2.296 300 HG2 GLU 36 2HG GLU 36 0.593 9.669 -2.655 301 HG3 GLU 36 1HG GLU 36 0.970 10.250 -1.035 302 H LEU 37 H LEU 37 1.389 5.669 -0.316 303 HA LEU 37 HA LEU 37 -1.421 5.870 -0.531 304 HB2 LEU 37 2HB LEU 37 -0.371 3.947 -1.426 305 HB3 LEU 37 1HB LEU 37 0.455 3.601 0.078 306 HG LEU 37 HG LEU 37 -1.477 2.726 1.081 307 HD11 LEU 37 1HD1 LEU 37 -2.857 4.520 -0.743 308 HD12 LEU 37 2HD1 LEU 37 -3.372 3.871 0.813 309 HD13 LEU 37 3HD1 LEU 37 -3.611 2.929 -0.657 310 HD21 LEU 37 1HD2 LEU 37 -2.152 1.750 -1.617 311 HD22 LEU 37 2HD2 LEU 37 -1.731 0.858 -0.154 312 HD23 LEU 37 3HD2 LEU 37 -0.462 1.591 -1.136 313 H LYS 38 H LYS 38 0.746 5.264 2.195 314 HA LYS 38 HA LYS 38 -1.268 4.644 4.079 315 HB2 LYS 38 2HB LYS 38 1.445 4.543 4.088 316 HB3 LYS 38 1HB LYS 38 1.172 5.959 5.094 317 HG2 LYS 38 2HG LYS 38 -0.382 4.564 6.478 318 HG3 LYS 38 1HG LYS 38 0.160 3.164 5.550 319 HD2 LYS 38 2HD LYS 38 2.348 4.797 6.597 320 HD3 LYS 38 1HD LYS 38 1.321 4.100 7.853 321 HE2 LYS 38 2HE LYS 38 3.309 2.710 7.108 322 HE3 LYS 38 1HE LYS 38 1.743 1.903 7.127 323 HZ1 LYS 38 1HZ LYS 38 1.607 1.942 4.824 324 HZ2 LYS 38 2HZ LYS 38 3.240 1.594 5.095 325 HZ3 LYS 38 3HZ LYS 38 2.771 3.160 4.661 326 H LYS 39 H LYS 39 0.614 7.656 3.695 327 HA LYS 39 HA LYS 39 -0.725 9.197 5.548 328 HB2 LYS 39 2HB LYS 39 0.028 11.162 4.188 329 HB3 LYS 39 1HB LYS 39 1.298 10.014 4.580 330 HG2 LYS 39 2HG LYS 39 0.722 9.015 2.241 331 HG3 LYS 39 1HG LYS 39 0.034 10.615 1.954 332 HD2 LYS 39 2HD LYS 39 2.476 11.164 3.122 333 HD3 LYS 39 1HD LYS 39 2.820 9.775 2.091 334 HE2 LYS 39 2HE LYS 39 2.407 10.926 0.174 335 HE3 LYS 39 1HE LYS 39 1.182 11.948 0.924 336 HZ1 LYS 39 1HZ LYS 39 3.344 13.050 0.262 337 HZ2 LYS 39 2HZ LYS 39 4.059 12.229 1.557 338 HZ3 LYS 39 3HZ LYS 39 2.811 13.334 1.843 339 H LYS 40 H LYS 40 -1.743 8.244 2.366 340 HA LYS 40 HA LYS 40 -3.750 10.216 2.006 341 HB2 LYS 40 2HB LYS 40 -2.847 8.914 0.134 342 HB3 LYS 40 1HB LYS 40 -3.523 7.442 0.819 343 HG2 LYS 40 2HG LYS 40 -5.668 7.986 0.229 344 HG3 LYS 40 1HG LYS 40 -5.345 9.721 0.229 345 HD2 LYS 40 2HD LYS 40 -4.228 9.609 -1.851 346 HD3 LYS 40 1HD LYS 40 -4.127 7.848 -1.786 347 HE2 LYS 40 2HE LYS 40 -6.091 7.655 -2.809 348 HE3 LYS 40 1HE LYS 40 -6.868 8.665 -1.592 349 HZ1 LYS 40 1HZ LYS 40 -6.747 10.485 -2.895 350 HZ2 LYS 40 2HZ LYS 40 -6.707 9.343 -4.142 351 HZ3 LYS 40 3HZ LYS 40 -5.270 10.046 -3.595 352 H ILE 41 H ILE 41 -3.628 7.189 3.726 353 HA ILE 41 HA ILE 41 -6.460 6.869 3.986 354 HB ILE 41 HB ILE 41 -4.392 5.704 5.844 355 HG12 ILE 41 2HG1 ILE 41 -5.244 4.728 3.111 356 HG13 ILE 41 1HG1 ILE 41 -3.627 5.219 3.601 357 HG21 ILE 41 1HG2 ILE 41 -5.994 3.980 6.217 358 HG22 ILE 41 2HG2 ILE 41 -7.022 4.572 4.910 359 HG23 ILE 41 3HG2 ILE 41 -6.832 5.523 6.383 360 HD11 ILE 41 1HD1 ILE 41 -3.373 3.306 4.974 361 HD12 ILE 41 2HD1 ILE 41 -4.001 2.753 3.421 362 HD13 ILE 41 3HD1 ILE 41 -5.077 2.885 4.812 363 H GLU 42 H GLU 42 -3.956 8.524 5.770 364 HA GLU 42 HA GLU 42 -5.442 8.956 8.151 365 HB2 GLU 42 2HB GLU 42 -2.980 10.174 6.949 366 HB3 GLU 42 1HB GLU 42 -3.726 10.916 8.358 367 HG2 GLU 42 2HG GLU 42 -3.446 8.089 8.760 368 HG3 GLU 42 1HG GLU 42 -1.901 8.800 8.298 369 H GLU 43 H GLU 43 -5.140 10.650 5.102 370 HA GLU 43 HA GLU 43 -6.489 13.019 5.957 371 HB2 GLU 43 2HB GLU 43 -6.420 13.699 3.673 372 HB3 GLU 43 1HB GLU 43 -4.903 12.879 4.008 373 HG2 GLU 43 2HG GLU 43 -5.301 11.267 2.518 374 HG3 GLU 43 1HG GLU 43 -7.003 11.139 2.946 375 H LEU 44 H LEU 44 -7.445 9.942 4.683 376 HA LEU 44 HA LEU 44 -10.006 10.531 3.741 377 HB2 LEU 44 2HB LEU 44 -8.504 8.149 4.532 378 HB3 LEU 44 1HB LEU 44 -10.229 7.991 4.791 379 HG LEU 44 HG LEU 44 -8.875 8.644 2.173 380 HD11 LEU 44 1HD1 LEU 44 -9.433 6.475 1.474 381 HD12 LEU 44 2HD1 LEU 44 -10.499 6.213 2.855 382 HD13 LEU 44 3HD1 LEU 44 -8.752 6.275 3.089 383 HD21 LEU 44 1HD2 LEU 44 -10.836 9.673 1.762 384 HD22 LEU 44 2HD2 LEU 44 -11.669 8.849 3.079 385 HD23 LEU 44 3HD2 LEU 44 -11.424 8.026 1.538 386 H GLY 45 H GLY 45 -12.079 9.864 4.763 387 HA2 GLY 45 2HA GLY 45 -12.096 10.073 7.686 388 HA3 GLY 45 1HA GLY 45 -12.986 11.281 6.772 389 H GLY 46 H GLY 46 -14.071 9.725 4.752 390 HA2 GLY 46 2HA GLY 46 -15.244 7.420 4.901 391 HA3 GLY 46 1HA GLY 46 -16.005 8.149 6.308 392 H GLY 47 H GLY 47 -16.664 7.331 3.294 393 HA2 GLY 47 2HA GLY 47 -19.015 8.706 3.010 394 HA3 GLY 47 1HA GLY 47 -17.816 9.737 2.243 395 H GLY 48 H GLY 48 -16.182 7.542 1.281 396 HA2 GLY 48 2HA GLY 48 -17.343 5.568 -0.168 397 HA3 GLY 48 1HA GLY 48 -17.665 6.998 -1.136 398 H GLU 49 H GLU 49 -15.117 8.249 -0.274 399 HA GLU 49 HA GLU 49 -13.503 7.453 -2.408 400 HB2 GLU 49 2HB GLU 49 -13.402 9.648 -1.195 401 HB3 GLU 49 1HB GLU 49 -12.564 8.824 0.113 402 HG2 GLU 49 2HG GLU 49 -10.665 9.264 -0.926 403 HG3 GLU 49 1HG GLU 49 -11.158 8.132 -2.185 404 H VAL 50 H VAL 50 -13.866 6.097 0.734 405 HA VAL 50 HA VAL 50 -11.404 4.942 1.228 406 HB VAL 50 HB VAL 50 -14.047 3.584 1.744 407 HG11 VAL 50 1HG1 VAL 50 -11.343 3.406 3.060 408 HG12 VAL 50 2HG1 VAL 50 -12.205 2.134 2.194 409 HG13 VAL 50 3HG1 VAL 50 -12.817 2.719 3.741 410 HG21 VAL 50 1HG2 VAL 50 -13.815 4.766 4.004 411 HG22 VAL 50 2HG2 VAL 50 -14.366 5.726 2.631 412 HG23 VAL 50 3HG2 VAL 50 -12.693 5.848 3.177 413 H LYS 51 H LYS 51 -13.740 4.130 -1.197 414 HA LYS 51 HA LYS 51 -12.832 1.472 -1.691 415 HB2 LYS 51 2HB LYS 51 -14.681 3.391 -2.995 416 HB3 LYS 51 1HB LYS 51 -14.000 2.135 -4.021 417 HG2 LYS 51 2HG LYS 51 -14.777 0.641 -1.931 418 HG3 LYS 51 1HG LYS 51 -15.965 1.942 -1.836 419 HD2 LYS 51 2HD LYS 51 -16.976 1.340 -3.773 420 HD3 LYS 51 1HD LYS 51 -15.465 0.821 -4.523 421 HE2 LYS 51 2HE LYS 51 -15.737 -1.031 -2.560 422 HE3 LYS 51 1HE LYS 51 -17.426 -0.708 -2.955 423 HZ1 LYS 51 1HZ LYS 51 -15.366 -2.000 -4.540 424 HZ2 LYS 51 2HZ LYS 51 -16.388 -0.954 -5.390 425 HZ3 LYS 51 3HZ LYS 51 -17.039 -2.253 -4.523 426 H LYS 52 H LYS 52 -12.023 4.647 -2.970 427 HA LYS 52 HA LYS 52 -10.487 3.805 -5.170 428 HB2 LYS 52 2HB LYS 52 -11.192 6.086 -5.056 429 HB3 LYS 52 1HB LYS 52 -10.409 6.317 -3.500 430 HG2 LYS 52 2HG LYS 52 -8.276 6.363 -4.448 431 HG3 LYS 52 1HG LYS 52 -8.832 5.632 -5.954 432 HD2 LYS 52 2HD LYS 52 -10.156 7.678 -6.407 433 HD3 LYS 52 1HD LYS 52 -9.471 8.404 -4.951 434 HE2 LYS 52 2HE LYS 52 -8.182 9.213 -6.760 435 HE3 LYS 52 1HE LYS 52 -7.197 7.989 -5.961 436 HZ1 LYS 52 1HZ LYS 52 -8.889 7.065 -8.140 437 HZ2 LYS 52 2HZ LYS 52 -7.312 6.614 -7.727 438 HZ3 LYS 52 3HZ LYS 52 -7.585 8.050 -8.576 439 H VAL 53 H VAL 53 -9.391 4.904 -1.955 440 HA VAL 53 HA VAL 53 -6.685 4.324 -2.299 441 HB VAL 53 HB VAL 53 -8.174 4.142 0.321 442 HG11 VAL 53 1HG1 VAL 53 -5.327 4.339 -0.479 443 HG12 VAL 53 2HG1 VAL 53 -6.068 3.492 0.877 444 HG13 VAL 53 3HG1 VAL 53 -5.835 5.238 0.949 445 HG21 VAL 53 1HG2 VAL 53 -7.478 6.588 0.507 446 HG22 VAL 53 2HG2 VAL 53 -8.837 6.218 -0.555 447 HG23 VAL 53 3HG2 VAL 53 -7.242 6.533 -1.240 448 H GLU 54 H GLU 54 -9.365 2.229 -1.550 449 HA GLU 54 HA GLU 54 -7.922 0.059 -0.472 450 HB2 GLU 54 2HB GLU 54 -10.405 0.360 -0.355 451 HB3 GLU 54 1HB GLU 54 -10.491 -0.067 -2.059 452 HG2 GLU 54 2HG GLU 54 -9.148 -2.188 -1.192 453 HG3 GLU 54 1HG GLU 54 -9.983 -1.771 0.304 454 H GLU 55 H GLU 55 -8.684 1.022 -3.760 455 HA GLU 55 HA GLU 55 -7.733 -1.386 -4.976 456 HB2 GLU 55 2HB GLU 55 -9.390 0.064 -6.071 457 HB3 GLU 55 1HB GLU 55 -8.199 1.351 -6.174 458 HG2 GLU 55 2HG GLU 55 -6.913 -0.740 -7.383 459 HG3 GLU 55 1HG GLU 55 -8.590 -0.985 -7.868 460 H GLU 56 H GLU 56 -6.304 1.610 -3.962 461 HA GLU 56 HA GLU 56 -3.943 1.462 -5.533 462 HB2 GLU 56 2HB GLU 56 -4.820 3.027 -3.143 463 HB3 GLU 56 1HB GLU 56 -3.116 3.017 -3.570 464 HG2 GLU 56 2HG GLU 56 -4.184 3.571 -5.969 465 HG3 GLU 56 1HG GLU 56 -5.403 4.289 -4.917 466 H VAL 57 H VAL 57 -4.909 0.082 -2.479 467 HA VAL 57 HA VAL 57 -2.220 -0.669 -1.728 468 HB VAL 57 HB VAL 57 -4.796 -1.657 -0.505 469 HG11 VAL 57 1HG1 VAL 57 -3.552 -2.583 1.119 470 HG12 VAL 57 2HG1 VAL 57 -2.410 -1.240 1.150 471 HG13 VAL 57 3HG1 VAL 57 -2.252 -2.504 -0.070 472 HG21 VAL 57 1HG2 VAL 57 -5.174 0.327 0.423 473 HG22 VAL 57 2HG2 VAL 57 -3.917 1.000 -0.614 474 HG23 VAL 57 3HG2 VAL 57 -3.512 0.428 1.003 475 H LYS 58 H LYS 58 -4.898 -2.070 -3.422 476 HA LYS 58 HA LYS 58 -4.054 -4.790 -3.176 477 HB2 LYS 58 2HB LYS 58 -6.270 -3.343 -4.325 478 HB3 LYS 58 1HB LYS 58 -5.680 -4.559 -5.450 479 HG2 LYS 58 2HG LYS 58 -7.435 -5.490 -4.094 480 HG3 LYS 58 1HG LYS 58 -5.901 -6.264 -3.688 481 HD2 LYS 58 2HD LYS 58 -5.822 -4.349 -1.870 482 HD3 LYS 58 1HD LYS 58 -7.573 -4.390 -2.090 483 HE2 LYS 58 2HE LYS 58 -7.121 -5.881 -0.323 484 HE3 LYS 58 1HE LYS 58 -7.419 -6.894 -1.736 485 HZ1 LYS 58 1HZ LYS 58 -5.519 -7.862 -1.070 486 HZ2 LYS 58 2HZ LYS 58 -4.977 -6.506 -0.217 487 HZ3 LYS 58 3HZ LYS 58 -4.783 -6.582 -1.895 488 H LYS 59 H LYS 59 -3.363 -2.187 -5.384 489 HA LYS 59 HA LYS 59 -2.336 -3.854 -7.473 490 HB2 LYS 59 2HB LYS 59 -3.240 -1.665 -7.997 491 HB3 LYS 59 1HB LYS 59 -2.045 -0.890 -6.966 492 HG2 LYS 59 2HG LYS 59 -0.674 -2.502 -8.866 493 HG3 LYS 59 1HG LYS 59 -1.862 -1.513 -9.718 494 HD2 LYS 59 2HD LYS 59 -0.167 -0.218 -7.639 495 HD3 LYS 59 1HD LYS 59 0.567 -0.609 -9.196 496 HE2 LYS 59 2HE LYS 59 -1.521 0.561 -10.190 497 HE3 LYS 59 1HE LYS 59 -1.689 1.260 -8.580 498 HZ1 LYS 59 1HZ LYS 59 0.862 1.767 -9.021 499 HZ2 LYS 59 2HZ LYS 59 -0.367 2.825 -9.500 500 HZ3 LYS 59 3HZ LYS 59 0.324 1.767 -10.624 501 H LEU 60 H LEU 60 -0.861 -1.980 -4.841 502 HA LEU 60 HA LEU 60 1.802 -2.579 -5.725 503 HB2 LEU 60 2HB LEU 60 0.890 -0.596 -4.249 504 HB3 LEU 60 1HB LEU 60 1.248 -1.705 -2.935 505 HG LEU 60 HG LEU 60 3.463 -1.561 -4.786 506 HD11 LEU 60 1HD1 LEU 60 3.467 0.592 -5.299 507 HD12 LEU 60 2HD1 LEU 60 3.799 0.907 -3.597 508 HD13 LEU 60 3HD1 LEU 60 2.141 0.937 -4.190 509 HD21 LEU 60 1HD2 LEU 60 3.019 -1.138 -1.857 510 HD22 LEU 60 2HD2 LEU 60 4.581 -0.805 -2.605 511 HD23 LEU 60 3HD2 LEU 60 3.898 -2.427 -2.678 512 H GLU 61 H GLU 61 -0.478 -4.106 -3.608 513 HA GLU 61 HA GLU 61 1.408 -5.654 -2.144 514 HB2 GLU 61 2HB GLU 61 -1.270 -5.132 -1.907 515 HB3 GLU 61 1HB GLU 61 -1.276 -6.793 -2.476 516 HG2 GLU 61 2HG GLU 61 0.575 -7.003 -0.563 517 HG3 GLU 61 1HG GLU 61 -0.370 -5.666 0.091 518 H GLU 62 H GLU 62 -0.787 -6.426 -4.833 519 HA GLU 62 HA GLU 62 0.150 -9.056 -5.234 520 HB2 GLU 62 2HB GLU 62 -1.950 -7.615 -6.162 521 HB3 GLU 62 1HB GLU 62 -0.909 -7.602 -7.578 522 HG2 GLU 62 2HG GLU 62 -0.759 -10.174 -7.106 523 HG3 GLU 62 1HG GLU 62 -2.265 -9.883 -6.236 524 H GLU 63 H GLU 63 1.306 -5.956 -6.283 525 HA GLU 63 HA GLU 63 2.834 -6.735 -8.504 526 HB2 GLU 63 2HB GLU 63 2.345 -4.370 -7.072 527 HB3 GLU 63 1HB GLU 63 4.087 -4.591 -7.025 528 HG2 GLU 63 2HG GLU 63 2.668 -4.892 -9.621 529 HG3 GLU 63 1HG GLU 63 2.937 -3.276 -8.970 530 H ILE 64 H ILE 64 3.945 -6.079 -5.185 531 HA ILE 64 HA ILE 64 6.561 -6.925 -5.471 532 HB ILE 64 HB ILE 64 4.908 -7.239 -2.966 533 HG12 ILE 64 2HG1 ILE 64 6.410 -4.814 -3.977 534 HG13 ILE 64 1HG1 ILE 64 4.661 -4.965 -3.879 535 HG21 ILE 64 1HG2 ILE 64 7.846 -6.654 -3.228 536 HG22 ILE 64 2HG2 ILE 64 7.195 -8.285 -3.063 537 HG23 ILE 64 3HG2 ILE 64 6.953 -7.103 -1.776 538 HD11 ILE 64 1HD1 ILE 64 4.655 -4.853 -1.562 539 HD12 ILE 64 2HD1 ILE 64 5.874 -3.671 -2.041 540 HD13 ILE 64 3HD1 ILE 64 6.368 -5.255 -1.443 541 H LYS 65 H LYS 65 3.655 -8.793 -5.174 542 HA LYS 65 HA LYS 65 4.604 -11.202 -4.182 543 HB2 LYS 65 2HB LYS 65 2.230 -10.261 -5.355 544 HB3 LYS 65 1HB LYS 65 2.703 -11.662 -6.305 545 HG2 LYS 65 2HG LYS 65 1.347 -12.553 -4.650 546 HG3 LYS 65 1HG LYS 65 2.979 -12.850 -4.046 547 HD2 LYS 65 2HD LYS 65 1.836 -10.271 -3.242 548 HD3 LYS 65 1HD LYS 65 0.972 -11.678 -2.618 549 HE2 LYS 65 2HE LYS 65 2.647 -12.244 -1.231 550 HE3 LYS 65 1HE LYS 65 3.891 -11.863 -2.422 551 HZ1 LYS 65 1HZ LYS 65 4.117 -9.778 -1.645 552 HZ2 LYS 65 2HZ LYS 65 3.479 -10.432 -0.223 553 HZ3 LYS 65 3HZ LYS 65 2.473 -9.593 -1.292 554 H LYS 66 H LYS 66 4.939 -9.820 -7.381 555 HA LYS 66 HA LYS 66 6.259 -12.277 -8.308 556 HB2 LYS 66 2HB LYS 66 5.296 -9.905 -9.917 557 HB3 LYS 66 1HB LYS 66 5.977 -11.389 -10.570 558 HG2 LYS 66 2HG LYS 66 4.099 -12.663 -9.775 559 HG3 LYS 66 1HG LYS 66 3.443 -11.248 -8.950 560 HD2 LYS 66 2HD LYS 66 3.946 -10.716 -11.755 561 HD3 LYS 66 1HD LYS 66 2.861 -12.091 -11.536 562 HE2 LYS 66 2HE LYS 66 2.493 -9.410 -10.207 563 HE3 LYS 66 1HE LYS 66 1.707 -9.886 -11.713 564 HZ1 LYS 66 1HZ LYS 66 0.534 -10.206 -9.407 565 HZ2 LYS 66 2HZ LYS 66 1.426 -11.644 -9.385 566 HZ3 LYS 66 3HZ LYS 66 0.339 -11.342 -10.646 567 H LEU 67 H LEU 67 6.686 -8.805 -9.005 568 HA LEU 67 HA LEU 67 8.539 -7.503 -9.162 569 HB2 LEU 67 2HB LEU 67 9.613 -9.543 -7.218 570 HB3 LEU 67 1HB LEU 67 10.459 -8.073 -7.657 571 HG LEU 67 HG LEU 67 7.728 -8.105 -6.383 572 HD11 LEU 67 1HD1 LEU 67 9.326 -7.149 -4.457 573 HD12 LEU 67 2HD1 LEU 67 10.429 -8.301 -5.212 574 HD13 LEU 67 3HD1 LEU 67 8.875 -8.849 -4.586 575 HD21 LEU 67 1HD2 LEU 67 9.730 -5.867 -6.570 576 HD22 LEU 67 2HD2 LEU 67 8.047 -5.777 -6.052 577 HD23 LEU 67 3HD2 LEU 67 8.433 -6.107 -7.740 578 H6 HTS 101 H6 HTS 68 7.991 3.420 3.643 579 H3 HTS 101 H3 HTS 68 7.799 -0.796 1.093 580 H4 HTS 101 H4 HTS 68 9.974 0.267 1.556 581 H5 HTS 101 H5 HTS 68 10.069 2.368 2.839 582 HO1 HTS 101 HO1 HTS 68 5.691 2.820 4.151 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -16.021 -2.977 15.107 2 H2 GLY 1 2H GLY 1 -14.863 -3.792 14.183 3 H3 GLY 1 3H GLY 1 -16.326 -4.550 14.565 4 HA2 GLY 1 1HA GLY 1 -16.672 -3.908 12.388 5 HA3 GLY 1 2HA GLY 1 -17.435 -2.630 13.323 6 H SER 2 H SER 2 -14.063 -3.343 12.408 7 HA SER 2 HA SER 2 -13.856 -0.571 11.435 8 HB2 SER 2 2HB SER 2 -11.988 -2.348 12.906 9 HB3 SER 2 1HB SER 2 -11.276 -1.299 11.681 10 HG SER 2 HG SER 2 -12.852 -0.523 13.908 11 H ARG 3 H ARG 3 -13.321 -0.190 9.368 12 HA ARG 3 HA ARG 3 -12.619 -2.514 7.697 13 HB2 ARG 3 2HB ARG 3 -14.890 -1.224 7.405 14 HB3 ARG 3 1HB ARG 3 -13.888 -0.054 6.557 15 HG2 ARG 3 2HG ARG 3 -13.842 -2.964 5.840 16 HG3 ARG 3 1HG ARG 3 -15.053 -1.863 5.181 17 HD2 ARG 3 2HD ARG 3 -12.516 -0.619 4.923 18 HD3 ARG 3 1HD ARG 3 -12.367 -2.274 4.333 19 HE ARG 3 HE ARG 3 -14.659 -1.333 3.181 20 HH11 ARG 3 1HH1 ARG 3 -11.328 -0.295 3.246 21 HH12 ARG 3 2HH1 ARG 3 -11.395 0.435 1.677 22 HH21 ARG 3 1HH2 ARG 3 -14.748 -0.374 1.118 23 HH22 ARG 3 2HH2 ARG 3 -13.336 0.392 0.470 24 H VAL 4 H VAL 4 -12.227 1.008 7.998 25 HA VAL 4 HA VAL 4 -9.983 1.017 6.178 26 HB VAL 4 HB VAL 4 -11.533 2.923 6.232 27 HG11 VAL 4 1HG1 VAL 4 -12.061 4.117 8.070 28 HG12 VAL 4 2HG1 VAL 4 -10.435 4.002 8.744 29 HG13 VAL 4 3HG1 VAL 4 -11.558 2.652 8.913 30 HG21 VAL 4 1HG2 VAL 4 -9.247 3.273 5.464 31 HG22 VAL 4 2HG2 VAL 4 -8.734 3.626 7.115 32 HG23 VAL 4 3HG2 VAL 4 -9.858 4.707 6.289 33 H LYS 5 H LYS 5 -10.526 1.108 9.639 34 HA LYS 5 HA LYS 5 -8.004 1.939 10.497 35 HB2 LYS 5 2HB LYS 5 -10.120 1.573 11.881 36 HB3 LYS 5 1HB LYS 5 -9.671 -0.126 11.925 37 HG2 LYS 5 2HG LYS 5 -7.363 0.955 12.744 38 HG3 LYS 5 1HG LYS 5 -8.488 2.187 13.321 39 HD2 LYS 5 2HD LYS 5 -8.214 0.619 15.087 40 HD3 LYS 5 1HD LYS 5 -9.808 0.328 14.387 41 HE2 LYS 5 2HE LYS 5 -8.537 -1.750 14.862 42 HE3 LYS 5 1HE LYS 5 -8.987 -1.571 13.167 43 HZ1 LYS 5 1HZ LYS 5 -6.811 -1.052 12.570 44 HZ2 LYS 5 2HZ LYS 5 -6.625 -2.308 13.688 45 HZ3 LYS 5 3HZ LYS 5 -6.340 -0.708 14.158 46 H ALA 6 H ALA 6 -9.147 -1.190 9.413 47 HA ALA 6 HA ALA 6 -6.737 -2.570 10.199 48 HB1 ALA 6 1HB ALA 6 -8.647 -3.922 10.267 49 HB2 ALA 6 2HB ALA 6 -7.796 -4.440 8.812 50 HB3 ALA 6 3HB ALA 6 -9.198 -3.378 8.682 51 H LEU 7 H LEU 7 -7.928 -0.909 7.400 52 HA LEU 7 HA LEU 7 -6.268 -2.090 5.445 53 HB2 LEU 7 2HB LEU 7 -8.317 -0.342 5.374 54 HB3 LEU 7 1HB LEU 7 -6.978 0.769 5.161 55 HG LEU 7 HG LEU 7 -7.590 -1.609 3.406 56 HD11 LEU 7 1HD1 LEU 7 -7.799 1.340 2.818 57 HD12 LEU 7 2HD1 LEU 7 -9.164 0.283 3.182 58 HD13 LEU 7 3HD1 LEU 7 -8.199 0.011 1.730 59 HD21 LEU 7 1HD2 LEU 7 -5.300 0.287 3.551 60 HD22 LEU 7 2HD2 LEU 7 -5.841 -0.275 1.969 61 HD23 LEU 7 3HD2 LEU 7 -5.316 -1.437 3.186 62 H GLU 8 H GLU 8 -5.711 0.360 7.851 63 HA GLU 8 HA GLU 8 -3.333 1.419 6.662 64 HB2 GLU 8 2HB GLU 8 -4.317 1.604 9.515 65 HB3 GLU 8 1HB GLU 8 -3.033 2.574 8.807 66 HG2 GLU 8 2HG GLU 8 -4.513 3.777 7.471 67 HG3 GLU 8 1HG GLU 8 -5.793 2.578 7.650 68 H GLU 9 H GLU 9 -4.047 -1.053 9.069 69 HA GLU 9 HA GLU 9 -1.329 -1.448 9.843 70 HB2 GLU 9 2HB GLU 9 -2.122 -3.288 11.136 71 HB3 GLU 9 1HB GLU 9 -3.329 -2.017 11.248 72 HG2 GLU 9 2HG GLU 9 -4.908 -3.323 10.406 73 HG3 GLU 9 1HG GLU 9 -3.890 -3.800 9.049 74 H LYS 10 H LYS 10 -3.224 -2.505 7.187 75 HA LYS 10 HA LYS 10 -1.821 -4.922 6.630 76 HB2 LYS 10 2HB LYS 10 -4.018 -3.446 5.517 77 HB3 LYS 10 1HB LYS 10 -2.908 -3.891 4.230 78 HG2 LYS 10 2HG LYS 10 -3.637 -5.997 6.180 79 HG3 LYS 10 1HG LYS 10 -4.877 -5.475 5.039 80 HD2 LYS 10 2HD LYS 10 -3.539 -6.063 3.173 81 HD3 LYS 10 1HD LYS 10 -2.105 -6.271 4.181 82 HE2 LYS 10 2HE LYS 10 -4.587 -7.958 4.440 83 HE3 LYS 10 1HE LYS 10 -3.211 -8.400 3.431 84 HZ1 LYS 10 1HZ LYS 10 -1.968 -8.937 5.211 85 HZ2 LYS 10 2HZ LYS 10 -3.464 -9.134 5.972 86 HZ3 LYS 10 3HZ LYS 10 -2.593 -7.700 6.181 87 H VAL 11 H VAL 11 -1.649 -1.635 5.286 88 HA VAL 11 HA VAL 11 0.476 -2.207 3.501 89 HB VAL 11 HB VAL 11 -0.242 0.500 4.623 90 HG11 VAL 11 1HG1 VAL 11 1.122 1.400 3.087 91 HG12 VAL 11 2HG1 VAL 11 0.634 0.252 1.841 92 HG13 VAL 11 3HG1 VAL 11 1.858 -0.200 3.028 93 HG21 VAL 11 1HG2 VAL 11 -1.476 0.460 2.243 94 HG22 VAL 11 2HG2 VAL 11 -2.272 0.014 3.752 95 HG23 VAL 11 3HG2 VAL 11 -1.637 -1.240 2.687 96 H LYS 12 H LYS 12 0.351 -1.274 6.836 97 HA LYS 12 HA LYS 12 2.952 -0.286 7.173 98 HB2 LYS 12 2HB LYS 12 0.837 -0.536 8.815 99 HB3 LYS 12 1HB LYS 12 1.786 -1.908 9.371 100 HG2 LYS 12 2HG LYS 12 3.534 -0.565 10.102 101 HG3 LYS 12 1HG LYS 12 3.027 0.802 9.107 102 HD2 LYS 12 2HD LYS 12 2.410 1.412 11.281 103 HD3 LYS 12 1HD LYS 12 0.913 0.826 10.555 104 HE2 LYS 12 2HE LYS 12 2.530 -1.226 11.900 105 HE3 LYS 12 1HE LYS 12 1.883 0.024 12.962 106 HZ1 LYS 12 1HZ LYS 12 -0.269 -0.542 11.516 107 HZ2 LYS 12 2HZ LYS 12 0.105 -1.336 12.962 108 HZ3 LYS 12 3HZ LYS 12 0.494 -2.052 11.480 109 H ALA 13 H ALA 13 1.686 -3.560 7.114 110 HA ALA 13 HA ALA 13 4.220 -4.755 7.838 111 HB1 ALA 13 1HB ALA 13 3.069 -6.894 7.295 112 HB2 ALA 13 2HB ALA 13 1.651 -5.964 6.810 113 HB3 ALA 13 3HB ALA 13 2.206 -5.917 8.484 114 H LEU 14 H LEU 14 2.561 -3.710 5.045 115 HA LEU 14 HA LEU 14 3.814 -5.252 3.052 116 HB2 LEU 14 2HB LEU 14 1.727 -3.680 3.038 117 HB3 LEU 14 1HB LEU 14 2.888 -2.436 2.626 118 HG LEU 14 HG LEU 14 3.166 -4.802 0.945 119 HD11 LEU 14 1HD1 LEU 14 0.483 -3.693 1.425 120 HD12 LEU 14 2HD1 LEU 14 0.970 -5.269 0.798 121 HD13 LEU 14 3HD1 LEU 14 0.945 -3.864 -0.269 122 HD21 LEU 14 1HD2 LEU 14 3.164 -1.875 0.740 123 HD22 LEU 14 2HD2 LEU 14 2.529 -2.716 -0.674 124 HD23 LEU 14 3HD2 LEU 14 4.155 -3.073 -0.093 125 H GLU 15 H GLU 15 4.823 -2.501 4.895 126 HA GLU 15 HA GLU 15 6.866 -1.617 3.105 127 HB2 GLU 15 2HB GLU 15 5.968 0.019 4.560 128 HB3 GLU 15 1HB GLU 15 6.189 -0.999 5.976 129 HG2 GLU 15 2HG GLU 15 8.568 -0.706 5.883 130 HG3 GLU 15 1HG GLU 15 8.446 0.150 4.347 131 H GLU 16 H GLU 16 6.972 -3.266 6.275 132 HA GLU 16 HA GLU 16 9.667 -3.659 6.517 133 HB2 GLU 16 2HB GLU 16 9.065 -5.797 7.744 134 HB3 GLU 16 1HB GLU 16 8.291 -4.328 8.318 135 HG2 GLU 16 2HG GLU 16 6.242 -4.908 7.218 136 HG3 GLU 16 1HG GLU 16 7.004 -6.298 6.446 137 H LYS 17 H LYS 17 7.462 -5.324 4.384 138 HA LYS 17 HA LYS 17 9.292 -7.417 3.683 139 HB2 LYS 17 2HB LYS 17 6.727 -7.452 3.512 140 HB3 LYS 17 1HB LYS 17 6.938 -6.529 2.030 141 HG2 LYS 17 2HG LYS 17 7.027 -8.516 1.026 142 HG3 LYS 17 1HG LYS 17 8.674 -8.602 1.655 143 HD2 LYS 17 2HD LYS 17 6.316 -9.553 3.256 144 HD3 LYS 17 1HD LYS 17 7.127 -10.599 2.088 145 HE2 LYS 17 2HE LYS 17 9.224 -9.560 3.521 146 HE3 LYS 17 1HE LYS 17 7.973 -9.741 4.751 147 HZ1 LYS 17 1HZ LYS 17 7.709 -12.079 3.740 148 HZ2 LYS 17 2HZ LYS 17 9.020 -11.782 4.766 149 HZ3 LYS 17 3HZ LYS 17 9.249 -11.814 3.090 150 H VAL 18 H VAL 18 8.380 -4.293 2.340 151 HA VAL 18 HA VAL 18 9.949 -4.602 -0.045 152 HB VAL 18 HB VAL 18 8.880 -2.044 1.116 153 HG11 VAL 18 1HG1 VAL 18 10.173 -1.301 -0.589 154 HG12 VAL 18 2HG1 VAL 18 8.744 -1.717 -1.533 155 HG13 VAL 18 3HG1 VAL 18 10.105 -2.835 -1.456 156 HG21 VAL 18 1HG2 VAL 18 7.312 -3.198 -1.032 157 HG22 VAL 18 2HG2 VAL 18 6.794 -2.578 0.535 158 HG23 VAL 18 3HG2 VAL 18 7.359 -4.242 0.387 159 H LYS 19 H LYS 19 10.264 -2.696 2.940 160 HA LYS 19 HA LYS 19 12.601 -1.357 2.408 161 HB2 LYS 19 2HB LYS 19 11.400 -2.408 4.944 162 HB3 LYS 19 1HB LYS 19 12.983 -1.642 4.979 163 HG2 LYS 19 2HG LYS 19 11.313 0.060 3.491 164 HG3 LYS 19 1HG LYS 19 10.392 -0.440 4.911 165 HD2 LYS 19 2HD LYS 19 11.723 0.698 6.329 166 HD3 LYS 19 1HD LYS 19 13.191 0.289 5.439 167 HE2 LYS 19 2HE LYS 19 11.969 1.956 3.684 168 HE3 LYS 19 1HE LYS 19 11.431 2.635 5.220 169 HZ1 LYS 19 1HZ LYS 19 14.021 2.289 5.713 170 HZ2 LYS 19 2HZ LYS 19 13.380 3.720 5.079 171 HZ3 LYS 19 3HZ LYS 19 14.085 2.580 4.048 172 H ALA 20 H ALA 20 12.177 -4.717 3.274 173 HA ALA 20 HA ALA 20 15.044 -5.120 3.597 174 HB1 ALA 20 1HB ALA 20 12.962 -6.267 4.854 175 HB2 ALA 20 2HB ALA 20 14.548 -7.023 4.697 176 HB3 ALA 20 3HB ALA 20 13.250 -7.457 3.584 177 H LEU 21 H LEU 21 12.805 -5.130 1.080 178 HA LEU 21 HA LEU 21 13.746 -7.280 -0.489 179 HB2 LEU 21 2HB LEU 21 11.675 -5.510 -0.651 180 HB3 LEU 21 1HB LEU 21 12.727 -4.926 -1.924 181 HG LEU 21 HG LEU 21 11.745 -7.771 -1.714 182 HD11 LEU 21 1HD1 LEU 21 10.768 -6.035 -3.875 183 HD12 LEU 21 2HD1 LEU 21 10.155 -5.659 -2.265 184 HD13 LEU 21 3HD1 LEU 21 9.930 -7.272 -2.940 185 HD21 LEU 21 1HD2 LEU 21 12.900 -8.230 -3.603 186 HD22 LEU 21 2HD2 LEU 21 13.924 -6.916 -3.026 187 HD23 LEU 21 3HD2 LEU 21 12.696 -6.603 -4.253 188 H GLY 22 H GLY 22 14.187 -3.803 -1.160 189 HA2 GLY 22 2HA GLY 22 16.831 -3.455 -1.214 190 HA3 GLY 22 1HA GLY 22 16.601 -4.418 -2.665 191 H GLY 23 H GLY 23 16.434 -3.281 -4.471 192 HA2 GLY 23 2HA GLY 23 14.663 -1.292 -5.069 193 HA3 GLY 23 1HA GLY 23 16.038 -0.434 -4.390 194 H GLY 24 H GLY 24 14.693 -1.134 -7.208 195 HA2 GLY 24 2HA GLY 24 16.506 -0.295 -8.946 196 HA3 GLY 24 1HA GLY 24 17.116 -1.913 -8.636 197 H GLY 25 H GLY 25 14.425 -0.060 -9.935 198 HA2 GLY 25 2HA GLY 25 13.547 -0.816 -12.092 199 HA3 GLY 25 1HA GLY 25 13.653 -2.459 -11.477 200 H ARG 26 H ARG 26 11.777 -3.315 -10.916 201 HA ARG 26 HA ARG 26 9.383 -1.837 -10.797 202 HB2 ARG 26 2HB ARG 26 8.295 -3.875 -10.341 203 HB3 ARG 26 1HB ARG 26 9.677 -4.317 -11.331 204 HG2 ARG 26 2HG ARG 26 9.647 -4.499 -8.326 205 HG3 ARG 26 1HG ARG 26 9.235 -5.836 -9.401 206 HD2 ARG 26 2HD ARG 26 11.510 -5.449 -10.480 207 HD3 ARG 26 1HD ARG 26 11.873 -4.432 -9.087 208 HE ARG 26 HE ARG 26 11.126 -6.653 -7.865 209 HH11 ARG 26 1HH1 ARG 26 13.223 -6.242 -10.629 210 HH12 ARG 26 2HH1 ARG 26 14.153 -7.662 -10.289 211 HH21 ARG 26 1HH2 ARG 26 12.352 -8.517 -7.419 212 HH22 ARG 26 2HH2 ARG 26 13.661 -8.953 -8.468 213 H ILE 27 H ILE 27 11.709 -2.717 -8.377 214 HA ILE 27 HA ILE 27 10.093 -2.422 -6.092 215 HB ILE 27 HB ILE 27 13.059 -1.894 -6.250 216 HG12 ILE 27 2HG1 ILE 27 11.579 -4.506 -5.864 217 HG13 ILE 27 1HG1 ILE 27 12.561 -4.065 -7.256 218 HG21 ILE 27 1HG2 ILE 27 11.898 -3.176 -3.882 219 HG22 ILE 27 2HG2 ILE 27 11.371 -1.515 -4.152 220 HG23 ILE 27 3HG2 ILE 27 13.089 -1.881 -4.005 221 HD11 ILE 27 1HD1 ILE 27 13.929 -5.460 -5.999 222 HD12 ILE 27 2HD1 ILE 27 13.438 -4.725 -4.474 223 HD13 ILE 27 3HD1 ILE 27 14.483 -3.839 -5.584 224 H GLU 28 H GLU 28 11.753 -0.114 -8.116 225 HA GLU 28 HA GLU 28 11.785 2.062 -6.325 226 HB2 GLU 28 2HB GLU 28 11.697 2.039 -9.347 227 HB3 GLU 28 1HB GLU 28 12.046 3.455 -8.365 228 HG2 GLU 28 2HG GLU 28 14.064 2.478 -7.547 229 HG3 GLU 28 1HG GLU 28 13.677 0.930 -8.299 230 H GLU 29 H GLU 29 9.512 1.380 -9.007 231 HA GLU 29 HA GLU 29 7.769 3.505 -8.459 232 HB2 GLU 29 2HB GLU 29 7.669 2.358 -10.578 233 HB3 GLU 29 1HB GLU 29 7.255 0.841 -9.792 234 HG2 GLU 29 2HG GLU 29 5.087 1.326 -9.799 235 HG3 GLU 29 1HG GLU 29 5.372 2.928 -9.118 236 H LEU 30 H LEU 30 8.093 0.389 -6.966 237 HA LEU 30 HA LEU 30 5.512 0.397 -5.725 238 HB2 LEU 30 2HB LEU 30 7.988 -1.239 -5.193 239 HB3 LEU 30 1HB LEU 30 6.451 -1.496 -4.390 240 HG LEU 30 HG LEU 30 6.829 -1.692 -7.375 241 HD11 LEU 30 1HD1 LEU 30 6.407 -4.216 -6.647 242 HD12 LEU 30 2HD1 LEU 30 7.252 -3.658 -5.203 243 HD13 LEU 30 3HD1 LEU 30 8.024 -3.525 -6.783 244 HD21 LEU 30 1HD2 LEU 30 4.659 -2.484 -7.484 245 HD22 LEU 30 2HD2 LEU 30 4.538 -1.205 -6.278 246 HD23 LEU 30 3HD2 LEU 30 4.611 -2.892 -5.770 247 H LYS 31 H LYS 31 8.580 1.778 -4.987 248 HA LYS 31 HA LYS 31 8.163 1.981 -2.152 249 HB2 LYS 31 2HB LYS 31 10.416 1.882 -3.100 250 HB3 LYS 31 1HB LYS 31 10.129 3.380 -3.973 251 HG2 LYS 31 2HG LYS 31 10.474 4.665 -2.160 252 HG3 LYS 31 1HG LYS 31 9.721 3.506 -1.063 253 HD2 LYS 31 2HD LYS 31 12.258 2.636 -2.280 254 HD3 LYS 31 1HD LYS 31 12.382 4.000 -1.166 255 HE2 LYS 31 2HE LYS 31 12.322 2.565 0.528 256 HE3 LYS 31 1HE LYS 31 10.676 2.136 0.063 257 HZ1 LYS 31 1HZ LYS 31 12.070 0.668 -1.659 258 HZ2 LYS 31 2HZ LYS 31 11.588 0.105 -0.139 259 HZ3 LYS 31 3HZ LYS 31 13.158 0.691 -0.363 260 H LYS 32 H LYS 32 8.353 4.459 -4.716 261 HA LYS 32 HA LYS 32 7.558 6.638 -3.229 262 HB2 LYS 32 2HB LYS 32 8.223 6.219 -5.834 263 HB3 LYS 32 1HB LYS 32 6.507 6.574 -5.982 264 HG2 LYS 32 2HG LYS 32 7.088 8.605 -4.449 265 HG3 LYS 32 1HG LYS 32 8.727 8.321 -5.037 266 HD2 LYS 32 2HD LYS 32 7.359 8.211 -7.358 267 HD3 LYS 32 1HD LYS 32 6.351 9.344 -6.454 268 HE2 LYS 32 2HE LYS 32 9.249 9.825 -6.293 269 HE3 LYS 32 1HE LYS 32 8.537 10.048 -7.890 270 HZ1 LYS 32 1HZ LYS 32 8.605 11.980 -6.131 271 HZ2 LYS 32 2HZ LYS 32 7.172 11.256 -5.601 272 HZ3 LYS 32 3HZ LYS 32 7.301 11.807 -7.195 273 H LYS 33 H LYS 33 5.551 4.221 -4.818 274 HA LYS 33 HA LYS 33 3.096 5.595 -4.238 275 HB2 LYS 33 2HB LYS 33 3.886 3.540 -5.967 276 HB3 LYS 33 1HB LYS 33 2.751 2.794 -4.852 277 HG2 LYS 33 2HG LYS 33 1.469 5.117 -5.479 278 HG3 LYS 33 1HG LYS 33 2.291 4.728 -6.992 279 HD2 LYS 33 2HD LYS 33 0.059 3.744 -6.932 280 HD3 LYS 33 1HD LYS 33 1.299 2.489 -6.951 281 HE2 LYS 33 2HE LYS 33 0.311 1.611 -5.162 282 HE3 LYS 33 1HE LYS 33 0.860 3.017 -4.252 283 HZ1 LYS 33 1HZ LYS 33 -1.616 2.451 -4.224 284 HZ2 LYS 33 2HZ LYS 33 -1.660 3.089 -5.791 285 HZ3 LYS 33 3HZ LYS 33 -1.182 4.065 -4.494 286 H CYS 34 H CYS 34 5.072 3.254 -2.625 287 HA CYS 34 HA CYS 34 3.139 2.022 -0.994 288 HB2 CYS 34 2HB CYS 34 5.921 1.909 -1.339 289 HB3 CYS 34 1HB CYS 34 5.692 2.325 0.348 290 H GLU 35 H GLU 35 5.420 4.637 -0.112 291 HA GLU 35 HA GLU 35 4.203 5.121 2.393 292 HB2 GLU 35 2HB GLU 35 5.577 7.246 2.345 293 HB3 GLU 35 1HB GLU 35 6.473 5.741 2.185 294 HG2 GLU 35 2HG GLU 35 7.313 6.372 0.243 295 HG3 GLU 35 1HG GLU 35 5.706 6.710 -0.394 296 H GLU 36 H GLU 36 3.955 6.772 -0.731 297 HA GLU 36 HA GLU 36 2.382 8.925 0.039 298 HB2 GLU 36 2HB GLU 36 3.446 8.223 -2.282 299 HB3 GLU 36 1HB GLU 36 1.835 7.584 -2.572 300 HG2 GLU 36 2HG GLU 36 1.450 9.640 -3.374 301 HG3 GLU 36 1HG GLU 36 1.208 10.038 -1.674 302 H LEU 37 H LEU 37 1.587 5.596 -0.393 303 HA LEU 37 HA LEU 37 -1.248 5.919 -0.547 304 HB2 LEU 37 2HB LEU 37 -0.315 3.993 -1.562 305 HB3 LEU 37 1HB LEU 37 0.586 3.578 -0.121 306 HG LEU 37 HG LEU 37 -1.392 2.856 1.011 307 HD11 LEU 37 1HD1 LEU 37 -3.054 3.538 -1.394 308 HD12 LEU 37 2HD1 LEU 37 -2.832 4.675 -0.064 309 HD13 LEU 37 3HD1 LEU 37 -3.587 3.108 0.230 310 HD21 LEU 37 1HD2 LEU 37 -0.297 1.557 -1.077 311 HD22 LEU 37 2HD2 LEU 37 -1.973 1.656 -1.614 312 HD23 LEU 37 3HD2 LEU 37 -1.586 0.890 -0.074 313 H LYS 38 H LYS 38 1.062 5.171 2.013 314 HA LYS 38 HA LYS 38 -0.790 4.474 4.006 315 HB2 LYS 38 2HB LYS 38 2.050 4.973 3.817 316 HB3 LYS 38 1HB LYS 38 1.400 5.636 5.311 317 HG2 LYS 38 2HG LYS 38 0.361 2.992 4.826 318 HG3 LYS 38 1HG LYS 38 2.125 2.997 4.805 319 HD2 LYS 38 2HD LYS 38 1.573 4.572 6.971 320 HD3 LYS 38 1HD LYS 38 0.265 3.390 7.033 321 HE2 LYS 38 2HE LYS 38 1.649 1.699 7.571 322 HE3 LYS 38 1HE LYS 38 2.924 2.266 6.495 323 HZ1 LYS 38 1HZ LYS 38 3.935 2.742 8.431 324 HZ2 LYS 38 2HZ LYS 38 2.492 2.823 9.310 325 HZ3 LYS 38 3HZ LYS 38 2.989 4.144 8.378 326 H LYS 39 H LYS 39 0.271 7.598 2.857 327 HA LYS 39 HA LYS 39 -0.713 9.023 5.150 328 HB2 LYS 39 2HB LYS 39 0.002 10.991 4.085 329 HB3 LYS 39 1HB LYS 39 1.176 9.772 3.612 330 HG2 LYS 39 2HG LYS 39 -0.574 9.567 1.573 331 HG3 LYS 39 1HG LYS 39 -0.759 11.272 1.985 332 HD2 LYS 39 2HD LYS 39 1.947 10.024 1.620 333 HD3 LYS 39 1HD LYS 39 1.024 10.644 0.250 334 HE2 LYS 39 2HE LYS 39 0.867 12.700 2.058 335 HE3 LYS 39 1HE LYS 39 2.491 12.073 2.335 336 HZ1 LYS 39 1HZ LYS 39 2.475 12.151 -0.307 337 HZ2 LYS 39 2HZ LYS 39 2.955 13.467 0.640 338 HZ3 LYS 39 3HZ LYS 39 1.392 13.415 -0.003 339 H LYS 40 H LYS 40 -2.018 8.001 2.093 340 HA LYS 40 HA LYS 40 -4.221 9.817 2.062 341 HB2 LYS 40 2HB LYS 40 -3.167 8.420 0.123 342 HB3 LYS 40 1HB LYS 40 -4.269 7.163 0.668 343 HG2 LYS 40 2HG LYS 40 -6.050 8.173 -0.226 344 HG3 LYS 40 1HG LYS 40 -5.540 9.770 0.325 345 HD2 LYS 40 2HD LYS 40 -3.698 9.269 -1.604 346 HD3 LYS 40 1HD LYS 40 -5.104 8.425 -2.254 347 HE2 LYS 40 2HE LYS 40 -5.438 11.191 -1.196 348 HE3 LYS 40 1HE LYS 40 -4.684 10.970 -2.774 349 HZ1 LYS 40 1HZ LYS 40 -7.441 10.505 -1.951 350 HZ2 LYS 40 2HZ LYS 40 -6.793 9.413 -3.068 351 HZ3 LYS 40 3HZ LYS 40 -6.831 11.067 -3.426 352 H ILE 41 H ILE 41 -3.712 6.588 3.370 353 HA ILE 41 HA ILE 41 -6.442 6.007 3.878 354 HB ILE 41 HB ILE 41 -4.107 4.933 5.457 355 HG12 ILE 41 2HG1 ILE 41 -5.187 4.040 2.774 356 HG13 ILE 41 1HG1 ILE 41 -3.572 4.651 3.111 357 HG21 ILE 41 1HG2 ILE 41 -5.555 2.967 5.705 358 HG22 ILE 41 2HG2 ILE 41 -6.821 3.795 4.799 359 HG23 ILE 41 3HG2 ILE 41 -6.301 4.421 6.364 360 HD11 ILE 41 1HD1 ILE 41 -4.394 1.999 3.060 361 HD12 ILE 41 2HD1 ILE 41 -4.159 2.376 4.766 362 HD13 ILE 41 3HD1 ILE 41 -2.844 2.627 3.620 363 H GLU 42 H GLU 42 -3.845 7.033 6.117 364 HA GLU 42 HA GLU 42 -5.506 7.461 8.332 365 HB2 GLU 42 2HB GLU 42 -2.784 8.339 7.520 366 HB3 GLU 42 1HB GLU 42 -3.564 9.260 8.799 367 HG2 GLU 42 2HG GLU 42 -3.749 7.345 10.185 368 HG3 GLU 42 1HG GLU 42 -3.275 6.271 8.870 369 H GLU 43 H GLU 43 -4.994 9.290 5.466 370 HA GLU 43 HA GLU 43 -6.091 11.755 6.504 371 HB2 GLU 43 2HB GLU 43 -4.971 10.821 3.898 372 HB3 GLU 43 1HB GLU 43 -6.008 12.239 3.900 373 HG2 GLU 43 2HG GLU 43 -3.529 11.918 5.573 374 HG3 GLU 43 1HG GLU 43 -3.607 12.775 4.033 375 H LEU 44 H LEU 44 -7.318 8.847 5.281 376 HA LEU 44 HA LEU 44 -9.646 9.905 3.982 377 HB2 LEU 44 2HB LEU 44 -8.442 7.300 4.438 378 HB3 LEU 44 1HB LEU 44 -10.178 7.256 4.654 379 HG LEU 44 HG LEU 44 -8.681 8.107 2.179 380 HD11 LEU 44 1HD1 LEU 44 -9.745 6.192 1.161 381 HD12 LEU 44 2HD1 LEU 44 -10.595 5.830 2.663 382 HD13 LEU 44 3HD1 LEU 44 -8.840 5.683 2.585 383 HD21 LEU 44 1HD2 LEU 44 -10.512 9.553 2.204 384 HD22 LEU 44 2HD2 LEU 44 -11.576 8.344 2.924 385 HD23 LEU 44 3HD2 LEU 44 -11.072 8.185 1.241 386 H GLY 45 H GLY 45 -11.860 9.365 4.716 387 HA2 GLY 45 2HA GLY 45 -12.052 9.592 7.657 388 HA3 GLY 45 1HA GLY 45 -13.146 10.401 6.546 389 H GLY 46 H GLY 46 -14.193 8.734 4.930 390 HA2 GLY 46 2HA GLY 46 -14.683 6.151 5.199 391 HA3 GLY 46 1HA GLY 46 -15.489 6.751 6.639 392 H GLY 47 H GLY 47 -16.356 5.506 3.956 393 HA2 GLY 47 2HA GLY 47 -18.892 6.233 3.716 394 HA3 GLY 47 1HA GLY 47 -18.115 7.605 2.941 395 H GLY 48 H GLY 48 -17.363 7.417 0.878 396 HA2 GLY 48 2HA GLY 48 -17.716 4.771 -0.394 397 HA3 GLY 48 1HA GLY 48 -18.185 6.271 -1.178 398 H GLU 49 H GLU 49 -15.907 7.806 -0.418 399 HA GLU 49 HA GLU 49 -14.172 7.252 -2.528 400 HB2 GLU 49 2HB GLU 49 -14.462 9.436 -1.246 401 HB3 GLU 49 1HB GLU 49 -13.377 8.757 -0.040 402 HG2 GLU 49 2HG GLU 49 -11.695 8.444 -1.875 403 HG3 GLU 49 1HG GLU 49 -12.767 9.380 -2.914 404 H VAL 50 H VAL 50 -14.257 5.992 0.696 405 HA VAL 50 HA VAL 50 -11.618 5.197 1.063 406 HB VAL 50 HB VAL 50 -14.034 3.614 1.936 407 HG11 VAL 50 1HG1 VAL 50 -11.157 3.570 2.580 408 HG12 VAL 50 2HG1 VAL 50 -12.351 2.274 2.621 409 HG13 VAL 50 3HG1 VAL 50 -12.260 3.431 3.948 410 HG21 VAL 50 1HG2 VAL 50 -13.378 5.109 4.091 411 HG22 VAL 50 2HG2 VAL 50 -14.639 5.540 2.935 412 HG23 VAL 50 3HG2 VAL 50 -13.029 6.245 2.788 413 H LYS 51 H LYS 51 -13.998 3.977 -1.115 414 HA LYS 51 HA LYS 51 -12.877 1.377 -1.467 415 HB2 LYS 51 2HB LYS 51 -15.003 2.996 -2.727 416 HB3 LYS 51 1HB LYS 51 -14.247 1.799 -3.769 417 HG2 LYS 51 2HG LYS 51 -15.136 0.952 -1.064 418 HG3 LYS 51 1HG LYS 51 -16.355 1.222 -2.311 419 HD2 LYS 51 2HD LYS 51 -14.781 -0.261 -3.771 420 HD3 LYS 51 1HD LYS 51 -14.155 -0.800 -2.211 421 HE2 LYS 51 2HE LYS 51 -16.805 -0.996 -1.758 422 HE3 LYS 51 1HE LYS 51 -16.764 -1.306 -3.493 423 HZ1 LYS 51 1HZ LYS 51 -16.380 -3.397 -2.800 424 HZ2 LYS 51 2HZ LYS 51 -15.764 -2.923 -1.298 425 HZ3 LYS 51 3HZ LYS 51 -14.778 -2.867 -2.670 426 H LYS 52 H LYS 52 -12.293 4.524 -2.856 427 HA LYS 52 HA LYS 52 -10.882 3.658 -5.158 428 HB2 LYS 52 2HB LYS 52 -11.726 5.883 -5.153 429 HB3 LYS 52 1HB LYS 52 -10.927 6.260 -3.634 430 HG2 LYS 52 2HG LYS 52 -8.979 6.757 -4.629 431 HG3 LYS 52 1HG LYS 52 -9.131 5.458 -5.815 432 HD2 LYS 52 2HD LYS 52 -10.823 6.830 -7.015 433 HD3 LYS 52 1HD LYS 52 -10.504 8.144 -5.881 434 HE2 LYS 52 2HE LYS 52 -8.901 8.817 -7.273 435 HE3 LYS 52 1HE LYS 52 -7.989 7.390 -6.782 436 HZ1 LYS 52 1HZ LYS 52 -8.884 6.171 -8.617 437 HZ2 LYS 52 2HZ LYS 52 -8.245 7.620 -9.212 438 HZ3 LYS 52 3HZ LYS 52 -9.918 7.443 -9.038 439 H VAL 53 H VAL 53 -9.681 5.018 -2.083 440 HA VAL 53 HA VAL 53 -6.964 4.592 -2.560 441 HB VAL 53 HB VAL 53 -8.264 4.456 0.160 442 HG11 VAL 53 1HG1 VAL 53 -6.212 4.764 1.044 443 HG12 VAL 53 2HG1 VAL 53 -5.686 5.815 -0.271 444 HG13 VAL 53 3HG1 VAL 53 -5.678 4.064 -0.484 445 HG21 VAL 53 1HG2 VAL 53 -7.746 6.966 0.154 446 HG22 VAL 53 2HG2 VAL 53 -9.167 6.419 -0.735 447 HG23 VAL 53 3HG2 VAL 53 -7.684 6.814 -1.602 448 H GLU 54 H GLU 54 -9.461 2.394 -1.534 449 HA GLU 54 HA GLU 54 -7.838 0.374 -0.429 450 HB2 GLU 54 2HB GLU 54 -10.417 0.652 -0.379 451 HB3 GLU 54 1HB GLU 54 -10.386 -0.201 -1.916 452 HG2 GLU 54 2HG GLU 54 -8.864 -1.853 -0.448 453 HG3 GLU 54 1HG GLU 54 -9.902 -1.191 0.815 454 H GLU 55 H GLU 55 -8.853 1.085 -3.720 455 HA GLU 55 HA GLU 55 -7.805 -1.308 -4.864 456 HB2 GLU 55 2HB GLU 55 -9.574 -0.003 -5.961 457 HB3 GLU 55 1HB GLU 55 -8.461 1.343 -6.163 458 HG2 GLU 55 2HG GLU 55 -7.394 0.382 -7.905 459 HG3 GLU 55 1HG GLU 55 -7.598 -1.251 -7.271 460 H GLU 56 H GLU 56 -6.492 1.803 -4.049 461 HA GLU 56 HA GLU 56 -4.187 1.703 -5.698 462 HB2 GLU 56 2HB GLU 56 -5.059 3.302 -3.334 463 HB3 GLU 56 1HB GLU 56 -3.356 3.324 -3.767 464 HG2 GLU 56 2HG GLU 56 -4.408 3.799 -6.174 465 HG3 GLU 56 1HG GLU 56 -5.687 4.473 -5.165 466 H VAL 57 H VAL 57 -4.981 0.396 -2.567 467 HA VAL 57 HA VAL 57 -2.252 -0.289 -1.912 468 HB VAL 57 HB VAL 57 -4.763 -1.260 -0.549 469 HG11 VAL 57 1HG1 VAL 57 -2.836 -2.537 0.076 470 HG12 VAL 57 2HG1 VAL 57 -3.227 -1.447 1.406 471 HG13 VAL 57 3HG1 VAL 57 -1.885 -1.072 0.325 472 HG21 VAL 57 1HG2 VAL 57 -3.949 1.389 -0.775 473 HG22 VAL 57 2HG2 VAL 57 -3.368 0.880 0.810 474 HG23 VAL 57 3HG2 VAL 57 -5.078 0.727 0.407 475 H LYS 58 H LYS 58 -4.959 -1.756 -3.478 476 HA LYS 58 HA LYS 58 -4.124 -4.466 -3.182 477 HB2 LYS 58 2HB LYS 58 -6.328 -3.031 -4.390 478 HB3 LYS 58 1HB LYS 58 -5.748 -4.305 -5.455 479 HG2 LYS 58 2HG LYS 58 -7.237 -5.516 -4.265 480 HG3 LYS 58 1HG LYS 58 -5.847 -5.700 -3.194 481 HD2 LYS 58 2HD LYS 58 -7.426 -3.289 -2.684 482 HD3 LYS 58 1HD LYS 58 -8.319 -4.791 -2.443 483 HE2 LYS 58 2HE LYS 58 -5.992 -5.395 -1.209 484 HE3 LYS 58 1HE LYS 58 -6.062 -3.656 -0.925 485 HZ1 LYS 58 1HZ LYS 58 -7.892 -5.763 0.001 486 HZ2 LYS 58 2HZ LYS 58 -8.480 -4.190 -0.206 487 HZ3 LYS 58 3HZ LYS 58 -7.206 -4.482 0.868 488 H LYS 59 H LYS 59 -3.402 -1.913 -5.438 489 HA LYS 59 HA LYS 59 -2.394 -3.614 -7.504 490 HB2 LYS 59 2HB LYS 59 -3.234 -1.382 -8.012 491 HB3 LYS 59 1HB LYS 59 -1.983 -0.661 -7.010 492 HG2 LYS 59 2HG LYS 59 -1.140 -2.421 -9.247 493 HG3 LYS 59 1HG LYS 59 -1.753 -0.812 -9.631 494 HD2 LYS 59 2HD LYS 59 0.168 0.133 -9.002 495 HD3 LYS 59 1HD LYS 59 0.110 -0.680 -7.437 496 HE2 LYS 59 2HE LYS 59 1.954 -1.733 -8.159 497 HE3 LYS 59 1HE LYS 59 0.825 -2.725 -9.082 498 HZ1 LYS 59 1HZ LYS 59 1.428 -1.768 -11.015 499 HZ2 LYS 59 2HZ LYS 59 2.860 -1.428 -10.180 500 HZ3 LYS 59 3HZ LYS 59 1.666 -0.239 -10.333 501 H LEU 60 H LEU 60 -0.885 -1.773 -4.867 502 HA LEU 60 HA LEU 60 1.774 -2.435 -5.713 503 HB2 LEU 60 2HB LEU 60 0.939 -0.431 -4.273 504 HB3 LEU 60 1HB LEU 60 1.117 -1.548 -2.931 505 HG LEU 60 HG LEU 60 3.469 -1.501 -4.649 506 HD11 LEU 60 1HD1 LEU 60 2.515 0.880 -4.783 507 HD12 LEU 60 2HD1 LEU 60 4.209 0.669 -4.345 508 HD13 LEU 60 3HD1 LEU 60 3.012 1.011 -3.096 509 HD21 LEU 60 1HD2 LEU 60 2.976 -1.055 -1.711 510 HD22 LEU 60 2HD2 LEU 60 4.573 -1.140 -2.457 511 HD23 LEU 60 3HD2 LEU 60 3.507 -2.545 -2.492 512 H GLU 61 H GLU 61 -0.586 -3.938 -3.679 513 HA GLU 61 HA GLU 61 1.198 -5.554 -2.169 514 HB2 GLU 61 2HB GLU 61 -1.480 -4.981 -2.063 515 HB3 GLU 61 1HB GLU 61 -1.489 -6.635 -2.655 516 HG2 GLU 61 2HG GLU 61 0.300 -6.805 -0.620 517 HG3 GLU 61 1HG GLU 61 -0.809 -5.574 -0.017 518 H GLU 62 H GLU 62 -0.904 -6.266 -4.944 519 HA GLU 62 HA GLU 62 0.013 -8.893 -5.359 520 HB2 GLU 62 2HB GLU 62 -2.041 -7.428 -6.327 521 HB3 GLU 62 1HB GLU 62 -0.948 -7.356 -7.703 522 HG2 GLU 62 2HG GLU 62 -0.855 -9.792 -7.766 523 HG3 GLU 62 1HG GLU 62 -1.934 -9.870 -6.374 524 H GLU 63 H GLU 63 1.248 -5.794 -6.308 525 HA GLU 63 HA GLU 63 2.839 -6.541 -8.489 526 HB2 GLU 63 2HB GLU 63 2.328 -4.206 -7.062 527 HB3 GLU 63 1HB GLU 63 4.053 -4.467 -6.850 528 HG2 GLU 63 2HG GLU 63 2.758 -4.563 -9.551 529 HG3 GLU 63 1HG GLU 63 3.297 -3.051 -8.821 530 H ILE 64 H ILE 64 3.856 -6.028 -5.112 531 HA ILE 64 HA ILE 64 6.460 -6.955 -5.370 532 HB ILE 64 HB ILE 64 4.748 -7.260 -2.901 533 HG12 ILE 64 2HG1 ILE 64 6.337 -4.870 -3.863 534 HG13 ILE 64 1HG1 ILE 64 4.586 -4.964 -3.730 535 HG21 ILE 64 1HG2 ILE 64 7.572 -7.653 -3.504 536 HG22 ILE 64 2HG2 ILE 64 6.620 -8.200 -2.124 537 HG23 ILE 64 3HG2 ILE 64 7.299 -6.574 -2.137 538 HD11 ILE 64 1HD1 ILE 64 5.589 -3.708 -1.893 539 HD12 ILE 64 2HD1 ILE 64 6.514 -5.136 -1.428 540 HD13 ILE 64 3HD1 ILE 64 4.754 -5.153 -1.323 541 H LYS 65 H LYS 65 3.474 -8.709 -5.178 542 HA LYS 65 HA LYS 65 4.420 -11.187 -4.264 543 HB2 LYS 65 2HB LYS 65 1.995 -10.138 -5.442 544 HB3 LYS 65 1HB LYS 65 2.357 -11.735 -6.082 545 HG2 LYS 65 2HG LYS 65 1.428 -12.590 -4.265 546 HG3 LYS 65 1HG LYS 65 2.782 -11.945 -3.336 547 HD2 LYS 65 2HD LYS 65 1.212 -9.740 -3.594 548 HD3 LYS 65 1HD LYS 65 0.000 -11.019 -3.517 549 HE2 LYS 65 2HE LYS 65 1.818 -11.679 -1.529 550 HE3 LYS 65 1HE LYS 65 1.682 -9.925 -1.423 551 HZ1 LYS 65 1HZ LYS 65 0.019 -11.529 -0.185 552 HZ2 LYS 65 2HZ LYS 65 -0.794 -11.455 -1.667 553 HZ3 LYS 65 3HZ LYS 65 -0.481 -10.035 -0.802 554 H LYS 66 H LYS 66 4.427 -9.710 -7.446 555 HA LYS 66 HA LYS 66 5.154 -12.068 -8.871 556 HB2 LYS 66 2HB LYS 66 5.625 -9.197 -9.688 557 HB3 LYS 66 1HB LYS 66 5.563 -10.600 -10.746 558 HG2 LYS 66 2HG LYS 66 3.258 -10.810 -10.541 559 HG3 LYS 66 1HG LYS 66 3.204 -9.838 -9.069 560 HD2 LYS 66 2HD LYS 66 2.329 -8.499 -10.836 561 HD3 LYS 66 1HD LYS 66 3.935 -7.875 -10.453 562 HE2 LYS 66 2HE LYS 66 4.882 -8.833 -12.380 563 HE3 LYS 66 1HE LYS 66 3.489 -9.881 -12.643 564 HZ1 LYS 66 1HZ LYS 66 2.964 -8.298 -14.131 565 HZ2 LYS 66 2HZ LYS 66 3.874 -7.095 -13.365 566 HZ3 LYS 66 3HZ LYS 66 2.337 -7.491 -12.782 567 H LEU 67 H LEU 67 7.035 -9.163 -8.002 568 HA LEU 67 HA LEU 67 9.526 -10.213 -8.769 569 HB2 LEU 67 2HB LEU 67 10.378 -8.405 -7.135 570 HB3 LEU 67 1HB LEU 67 9.516 -7.913 -8.577 571 HG LEU 67 HG LEU 67 7.703 -8.281 -6.342 572 HD11 LEU 67 1HD1 LEU 67 10.183 -6.725 -5.898 573 HD12 LEU 67 2HD1 LEU 67 9.156 -7.581 -4.748 574 HD13 LEU 67 3HD1 LEU 67 8.664 -6.004 -5.365 575 HD21 LEU 67 1HD2 LEU 67 7.699 -6.895 -8.641 576 HD22 LEU 67 2HD2 LEU 67 8.200 -5.623 -7.526 577 HD23 LEU 67 3HD2 LEU 67 6.684 -6.483 -7.259 578 H6 HTS 101 H6 HTS 68 8.070 3.227 3.911 579 H3 HTS 101 H3 HTS 68 7.849 -0.693 0.933 580 H4 HTS 101 H4 HTS 68 10.022 0.351 1.432 581 H5 HTS 101 H5 HTS 68 10.133 2.307 2.926 582 HO1 HTS 101 HO1 HTS 68 5.218 2.861 2.892 Start of MODEL 21 1 H1 GLY 1 1H GLY 1 -17.239 -5.793 10.235 2 H2 GLY 1 2H GLY 1 -17.713 -6.690 11.589 3 H3 GLY 1 3H GLY 1 -16.077 -6.595 11.170 4 HA2 GLY 1 1HA GLY 1 -17.777 -4.354 12.117 5 HA3 GLY 1 2HA GLY 1 -16.530 -5.165 13.050 6 H SER 2 H SER 2 -14.320 -5.186 11.913 7 HA SER 2 HA SER 2 -13.497 -2.510 11.569 8 HB2 SER 2 2HB SER 2 -11.353 -3.763 10.659 9 HB3 SER 2 1HB SER 2 -11.780 -3.834 12.368 10 HG SER 2 HG SER 2 -11.404 -5.860 10.820 11 H ARG 3 H ARG 3 -12.518 -1.528 9.704 12 HA ARG 3 HA ARG 3 -13.029 -2.704 7.106 13 HB2 ARG 3 2HB ARG 3 -15.018 -1.142 8.184 14 HB3 ARG 3 1HB ARG 3 -14.110 0.020 7.227 15 HG2 ARG 3 2HG ARG 3 -14.707 -2.524 5.881 16 HG3 ARG 3 1HG ARG 3 -16.105 -1.517 6.265 17 HD2 ARG 3 2HD ARG 3 -15.333 0.259 4.963 18 HD3 ARG 3 1HD ARG 3 -13.681 -0.358 4.936 19 HE ARG 3 HE ARG 3 -15.834 -1.079 3.174 20 HH11 ARG 3 1HH1 ARG 3 -12.792 -2.104 4.544 21 HH12 ARG 3 2HH1 ARG 3 -12.434 -3.197 3.249 22 HH21 ARG 3 1HH2 ARG 3 -15.365 -2.517 1.470 23 HH22 ARG 3 2HH2 ARG 3 -13.895 -3.430 1.504 24 H VAL 4 H VAL 4 -12.482 0.579 8.395 25 HA VAL 4 HA VAL 4 -10.393 1.033 6.449 26 HB VAL 4 HB VAL 4 -11.211 2.844 8.722 27 HG11 VAL 4 1HG1 VAL 4 -9.942 4.461 7.775 28 HG12 VAL 4 2HG1 VAL 4 -10.225 3.879 6.135 29 HG13 VAL 4 3HG1 VAL 4 -9.045 3.071 7.166 30 HG21 VAL 4 1HG2 VAL 4 -13.115 2.158 7.225 31 HG22 VAL 4 2HG2 VAL 4 -12.253 2.937 5.898 32 HG23 VAL 4 3HG2 VAL 4 -12.787 3.889 7.283 33 H LYS 5 H LYS 5 -10.647 0.510 9.928 34 HA LYS 5 HA LYS 5 -8.035 1.137 10.672 35 HB2 LYS 5 2HB LYS 5 -10.306 -0.032 11.886 36 HB3 LYS 5 1HB LYS 5 -8.966 -1.134 12.168 37 HG2 LYS 5 2HG LYS 5 -8.896 0.271 14.004 38 HG3 LYS 5 1HG LYS 5 -7.679 0.960 12.928 39 HD2 LYS 5 2HD LYS 5 -8.808 2.865 13.479 40 HD3 LYS 5 1HD LYS 5 -9.760 2.366 12.080 41 HE2 LYS 5 2HE LYS 5 -11.585 2.018 13.321 42 HE3 LYS 5 1HE LYS 5 -10.679 1.141 14.553 43 HZ1 LYS 5 1HZ LYS 5 -11.813 3.503 14.974 44 HZ2 LYS 5 2HZ LYS 5 -10.278 4.019 14.483 45 HZ3 LYS 5 3HZ LYS 5 -10.435 2.978 15.806 46 H ALA 6 H ALA 6 -9.360 -1.719 9.160 47 HA ALA 6 HA ALA 6 -7.010 -3.328 9.507 48 HB1 ALA 6 1HB ALA 6 -9.578 -3.929 8.972 49 HB2 ALA 6 2HB ALA 6 -8.231 -5.016 8.638 50 HB3 ALA 6 3HB ALA 6 -8.896 -4.016 7.347 51 H LEU 7 H LEU 7 -8.123 -1.008 7.190 52 HA LEU 7 HA LEU 7 -6.507 -1.810 4.999 53 HB2 LEU 7 2HB LEU 7 -8.523 0.015 5.407 54 HB3 LEU 7 1HB LEU 7 -7.125 1.048 5.184 55 HG LEU 7 HG LEU 7 -8.034 -1.073 3.238 56 HD11 LEU 7 1HD1 LEU 7 -8.610 0.910 1.825 57 HD12 LEU 7 2HD1 LEU 7 -8.390 1.915 3.258 58 HD13 LEU 7 3HD1 LEU 7 -9.645 0.676 3.233 59 HD21 LEU 7 1HD2 LEU 7 -5.606 0.520 3.491 60 HD22 LEU 7 2HD2 LEU 7 -6.394 0.699 1.923 61 HD23 LEU 7 3HD2 LEU 7 -5.931 -0.902 2.500 62 H GLU 8 H GLU 8 -5.947 0.189 7.811 63 HA GLU 8 HA GLU 8 -3.511 1.337 6.794 64 HB2 GLU 8 2HB GLU 8 -4.652 1.311 9.592 65 HB3 GLU 8 1HB GLU 8 -3.275 2.269 9.065 66 HG2 GLU 8 2HG GLU 8 -4.613 3.626 7.689 67 HG3 GLU 8 1HG GLU 8 -5.980 2.518 7.791 68 H GLU 9 H GLU 9 -4.380 -1.305 8.960 69 HA GLU 9 HA GLU 9 -1.709 -1.838 9.805 70 HB2 GLU 9 2HB GLU 9 -2.593 -3.729 10.923 71 HB3 GLU 9 1HB GLU 9 -3.830 -2.486 11.028 72 HG2 GLU 9 2HG GLU 9 -5.271 -3.970 10.246 73 HG3 GLU 9 1HG GLU 9 -4.429 -3.882 8.701 74 H LYS 10 H LYS 10 -3.496 -2.597 6.984 75 HA LYS 10 HA LYS 10 -2.106 -4.984 6.266 76 HB2 LYS 10 2HB LYS 10 -4.280 -3.420 5.252 77 HB3 LYS 10 1HB LYS 10 -3.145 -3.726 3.946 78 HG2 LYS 10 2HG LYS 10 -3.810 -6.050 5.627 79 HG3 LYS 10 1HG LYS 10 -5.126 -5.403 4.645 80 HD2 LYS 10 2HD LYS 10 -3.573 -5.508 2.673 81 HD3 LYS 10 1HD LYS 10 -2.436 -6.382 3.702 82 HE2 LYS 10 2HE LYS 10 -5.176 -7.228 2.802 83 HE3 LYS 10 1HE LYS 10 -3.633 -8.033 2.517 84 HZ1 LYS 10 1HZ LYS 10 -3.495 -8.509 4.888 85 HZ2 LYS 10 2HZ LYS 10 -4.902 -9.167 4.220 86 HZ3 LYS 10 3HZ LYS 10 -4.988 -7.755 5.146 87 H VAL 11 H VAL 11 -1.887 -1.601 5.194 88 HA VAL 11 HA VAL 11 0.265 -2.041 3.405 89 HB VAL 11 HB VAL 11 -0.417 0.577 4.738 90 HG11 VAL 11 1HG1 VAL 11 0.939 1.572 3.251 91 HG12 VAL 11 2HG1 VAL 11 0.436 0.513 1.934 92 HG13 VAL 11 3HG1 VAL 11 1.658 -0.028 3.083 93 HG21 VAL 11 1HG2 VAL 11 -2.438 0.376 3.806 94 HG22 VAL 11 2HG2 VAL 11 -1.952 -1.020 2.846 95 HG23 VAL 11 3HG2 VAL 11 -1.619 0.611 2.263 96 H LYS 12 H LYS 12 0.107 -1.389 6.803 97 HA LYS 12 HA LYS 12 2.709 -0.451 7.246 98 HB2 LYS 12 2HB LYS 12 0.946 -0.362 8.954 99 HB3 LYS 12 1HB LYS 12 0.965 -2.117 9.073 100 HG2 LYS 12 2HG LYS 12 2.249 -1.534 10.875 101 HG3 LYS 12 1HG LYS 12 3.489 -1.763 9.639 102 HD2 LYS 12 2HD LYS 12 2.315 0.946 9.881 103 HD3 LYS 12 1HD LYS 12 3.370 0.412 11.191 104 HE2 LYS 12 2HE LYS 12 5.007 -0.252 9.330 105 HE3 LYS 12 1HE LYS 12 4.010 0.753 8.280 106 HZ1 LYS 12 1HZ LYS 12 5.807 2.059 9.115 107 HZ2 LYS 12 2HZ LYS 12 5.468 1.624 10.713 108 HZ3 LYS 12 3HZ LYS 12 4.387 2.602 9.858 109 H ALA 13 H ALA 13 1.426 -3.703 6.905 110 HA ALA 13 HA ALA 13 3.950 -4.962 7.563 111 HB1 ALA 13 1HB ALA 13 2.840 -6.970 7.451 112 HB2 ALA 13 2HB ALA 13 1.763 -6.427 6.165 113 HB3 ALA 13 3HB ALA 13 1.496 -5.888 7.823 114 H LEU 14 H LEU 14 2.313 -3.727 4.829 115 HA LEU 14 HA LEU 14 3.587 -5.152 2.757 116 HB2 LEU 14 2HB LEU 14 1.484 -3.617 2.804 117 HB3 LEU 14 1HB LEU 14 2.622 -2.321 2.508 118 HG LEU 14 HG LEU 14 2.267 -4.740 0.731 119 HD11 LEU 14 1HD1 LEU 14 0.458 -2.730 1.049 120 HD12 LEU 14 2HD1 LEU 14 0.672 -3.677 -0.424 121 HD13 LEU 14 3HD1 LEU 14 1.461 -2.107 -0.262 122 HD21 LEU 14 1HD2 LEU 14 3.426 -3.045 -0.872 123 HD22 LEU 14 2HD2 LEU 14 4.391 -3.995 0.257 124 HD23 LEU 14 3HD2 LEU 14 4.002 -2.314 0.627 125 H GLU 15 H GLU 15 4.564 -2.514 4.773 126 HA GLU 15 HA GLU 15 6.636 -1.533 3.060 127 HB2 GLU 15 2HB GLU 15 5.659 0.019 4.579 128 HB3 GLU 15 1HB GLU 15 5.921 -1.049 5.950 129 HG2 GLU 15 2HG GLU 15 8.345 -0.730 5.709 130 HG3 GLU 15 1HG GLU 15 8.050 0.380 4.371 131 H GLU 16 H GLU 16 6.549 -3.538 5.994 132 HA GLU 16 HA GLU 16 9.237 -3.874 6.449 133 HB2 GLU 16 2HB GLU 16 7.045 -5.938 6.713 134 HB3 GLU 16 1HB GLU 16 8.648 -6.087 7.419 135 HG2 GLU 16 2HG GLU 16 7.711 -3.603 8.266 136 HG3 GLU 16 1HG GLU 16 6.330 -4.691 8.398 137 H LYS 17 H LYS 17 7.312 -5.207 3.880 138 HA LYS 17 HA LYS 17 9.200 -7.217 3.106 139 HB2 LYS 17 2HB LYS 17 6.679 -7.179 2.639 140 HB3 LYS 17 1HB LYS 17 7.056 -6.057 1.340 141 HG2 LYS 17 2HG LYS 17 8.102 -7.654 0.073 142 HG3 LYS 17 1HG LYS 17 8.528 -8.641 1.472 143 HD2 LYS 17 2HD LYS 17 6.414 -9.586 1.610 144 HD3 LYS 17 1HD LYS 17 5.657 -8.264 0.718 145 HE2 LYS 17 2HE LYS 17 5.695 -9.705 -1.004 146 HE3 LYS 17 1HE LYS 17 7.386 -9.226 -1.139 147 HZ1 LYS 17 1HZ LYS 17 7.572 -11.168 0.661 148 HZ2 LYS 17 2HZ LYS 17 7.701 -11.436 -1.004 149 HZ3 LYS 17 3HZ LYS 17 6.235 -11.726 -0.212 150 H VAL 18 H VAL 18 8.298 -4.028 1.797 151 HA VAL 18 HA VAL 18 10.226 -4.085 -0.289 152 HB VAL 18 HB VAL 18 9.169 -1.528 0.852 153 HG11 VAL 18 1HG1 VAL 18 10.833 -1.559 -1.011 154 HG12 VAL 18 2HG1 VAL 18 9.317 -0.742 -1.394 155 HG13 VAL 18 3HG1 VAL 18 9.621 -2.370 -2.002 156 HG21 VAL 18 1HG2 VAL 18 7.169 -2.747 0.768 157 HG22 VAL 18 2HG2 VAL 18 7.644 -3.595 -0.703 158 HG23 VAL 18 3HG2 VAL 18 7.218 -1.886 -0.770 159 H LYS 19 H LYS 19 10.154 -2.353 2.830 160 HA LYS 19 HA LYS 19 12.570 -1.047 2.668 161 HB2 LYS 19 2HB LYS 19 11.026 -2.172 4.976 162 HB3 LYS 19 1HB LYS 19 12.606 -1.450 5.250 163 HG2 LYS 19 2HG LYS 19 11.178 0.352 3.633 164 HG3 LYS 19 1HG LYS 19 10.073 -0.179 4.899 165 HD2 LYS 19 2HD LYS 19 12.319 0.242 6.344 166 HD3 LYS 19 1HD LYS 19 12.516 1.455 5.078 167 HE2 LYS 19 2HE LYS 19 10.450 2.486 5.623 168 HE3 LYS 19 1HE LYS 19 9.979 1.145 6.665 169 HZ1 LYS 19 1HZ LYS 19 11.729 1.738 8.197 170 HZ2 LYS 19 2HZ LYS 19 10.734 3.080 7.927 171 HZ3 LYS 19 3HZ LYS 19 12.249 2.989 7.181 172 H ALA 20 H ALA 20 11.962 -4.427 3.299 173 HA ALA 20 HA ALA 20 14.731 -4.946 4.016 174 HB1 ALA 20 1HB ALA 20 13.927 -7.331 4.142 175 HB2 ALA 20 2HB ALA 20 12.311 -6.718 3.791 176 HB3 ALA 20 3HB ALA 20 13.152 -6.203 5.254 177 H LEU 21 H LEU 21 12.939 -4.682 1.177 178 HA LEU 21 HA LEU 21 14.159 -6.714 -0.384 179 HB2 LEU 21 2HB LEU 21 12.082 -4.883 -0.659 180 HB3 LEU 21 1HB LEU 21 13.249 -4.387 -1.858 181 HG LEU 21 HG LEU 21 12.306 -7.233 -1.668 182 HD11 LEU 21 1HD1 LEU 21 10.543 -5.233 -2.065 183 HD12 LEU 21 2HD1 LEU 21 10.400 -6.835 -2.790 184 HD13 LEU 21 3HD1 LEU 21 11.096 -5.507 -3.718 185 HD21 LEU 21 1HD2 LEU 21 13.910 -5.609 -3.546 186 HD22 LEU 21 2HD2 LEU 21 12.801 -6.782 -4.257 187 HD23 LEU 21 3HD2 LEU 21 14.041 -7.315 -3.121 188 H GLY 22 H GLY 22 15.503 -6.178 -2.333 189 HA2 GLY 22 2HA GLY 22 17.183 -3.818 -2.105 190 HA3 GLY 22 1HA GLY 22 17.993 -5.350 -1.814 191 H GLY 23 H GLY 23 16.559 -3.260 -4.186 192 HA2 GLY 23 2HA GLY 23 18.107 -4.390 -6.283 193 HA3 GLY 23 1HA GLY 23 16.437 -4.919 -6.410 194 H GLY 24 H GLY 24 15.770 -3.826 -8.185 195 HA2 GLY 24 2HA GLY 24 15.270 -1.009 -7.899 196 HA3 GLY 24 1HA GLY 24 16.490 -1.361 -9.113 197 H GLY 25 H GLY 25 14.668 -0.179 -10.336 198 HA2 GLY 25 2HA GLY 25 13.246 -0.402 -12.140 199 HA3 GLY 25 1HA GLY 25 13.338 -2.146 -11.940 200 H ARG 26 H ARG 26 11.570 -3.160 -11.245 201 HA ARG 26 HA ARG 26 9.137 -1.850 -10.869 202 HB2 ARG 26 2HB ARG 26 8.209 -3.961 -10.350 203 HB3 ARG 26 1HB ARG 26 9.522 -4.291 -11.472 204 HG2 ARG 26 2HG ARG 26 9.763 -4.541 -8.481 205 HG3 ARG 26 1HG ARG 26 9.370 -5.879 -9.561 206 HD2 ARG 26 2HD ARG 26 11.519 -5.213 -10.811 207 HD3 ARG 26 1HD ARG 26 11.912 -4.305 -9.352 208 HE ARG 26 HE ARG 26 11.484 -6.619 -8.250 209 HH11 ARG 26 1HH1 ARG 26 13.073 -6.027 -11.307 210 HH12 ARG 26 2HH1 ARG 26 14.048 -7.454 -11.213 211 HH21 ARG 26 1HH2 ARG 26 12.770 -8.490 -8.132 212 HH22 ARG 26 2HH2 ARG 26 13.878 -8.850 -9.414 213 H ILE 27 H ILE 27 11.665 -2.618 -8.619 214 HA ILE 27 HA ILE 27 10.163 -2.434 -6.237 215 HB ILE 27 HB ILE 27 13.105 -1.857 -6.581 216 HG12 ILE 27 2HG1 ILE 27 11.667 -4.473 -6.080 217 HG13 ILE 27 1HG1 ILE 27 12.565 -4.036 -7.530 218 HG21 ILE 27 1HG2 ILE 27 13.163 -1.559 -4.383 219 HG22 ILE 27 2HG2 ILE 27 12.417 -3.135 -4.121 220 HG23 ILE 27 3HG2 ILE 27 11.407 -1.706 -4.332 221 HD11 ILE 27 1HD1 ILE 27 13.684 -5.569 -5.820 222 HD12 ILE 27 2HD1 ILE 27 13.892 -4.111 -4.850 223 HD13 ILE 27 3HD1 ILE 27 14.616 -4.212 -6.454 224 H GLU 28 H GLU 28 11.649 -0.042 -8.300 225 HA GLU 28 HA GLU 28 11.663 2.085 -6.421 226 HB2 GLU 28 2HB GLU 28 12.048 1.810 -9.352 227 HB3 GLU 28 1HB GLU 28 11.614 3.406 -8.755 228 HG2 GLU 28 2HG GLU 28 13.998 3.237 -8.906 229 HG3 GLU 28 1HG GLU 28 13.529 3.318 -7.208 230 H GLU 29 H GLU 29 9.344 1.119 -8.937 231 HA GLU 29 HA GLU 29 7.607 3.333 -8.524 232 HB2 GLU 29 2HB GLU 29 7.577 2.112 -10.621 233 HB3 GLU 29 1HB GLU 29 7.108 0.634 -9.792 234 HG2 GLU 29 2HG GLU 29 4.947 1.194 -9.769 235 HG3 GLU 29 1HG GLU 29 5.288 2.863 -9.311 236 H LEU 30 H LEU 30 7.960 0.249 -6.972 237 HA LEU 30 HA LEU 30 5.365 0.304 -5.730 238 HB2 LEU 30 2HB LEU 30 7.770 -1.435 -5.196 239 HB3 LEU 30 1HB LEU 30 6.183 -1.668 -4.488 240 HG LEU 30 HG LEU 30 6.710 -1.758 -7.455 241 HD11 LEU 30 1HD1 LEU 30 6.912 -4.062 -7.371 242 HD12 LEU 30 2HD1 LEU 30 6.214 -4.167 -5.755 243 HD13 LEU 30 3HD1 LEU 30 7.849 -3.542 -5.971 244 HD21 LEU 30 1HD2 LEU 30 4.527 -2.590 -7.672 245 HD22 LEU 30 2HD2 LEU 30 4.391 -1.224 -6.564 246 HD23 LEU 30 3HD2 LEU 30 4.373 -2.872 -5.937 247 H LYS 31 H LYS 31 8.487 1.559 -5.016 248 HA LYS 31 HA LYS 31 8.144 1.722 -2.173 249 HB2 LYS 31 2HB LYS 31 10.372 1.622 -3.191 250 HB3 LYS 31 1HB LYS 31 10.074 3.146 -4.016 251 HG2 LYS 31 2HG LYS 31 10.517 4.373 -2.193 252 HG3 LYS 31 1HG LYS 31 9.730 3.230 -1.104 253 HD2 LYS 31 2HD LYS 31 11.638 2.035 -0.758 254 HD3 LYS 31 1HD LYS 31 12.261 2.362 -2.377 255 HE2 LYS 31 2HE LYS 31 13.694 3.593 -1.045 256 HE3 LYS 31 1HE LYS 31 12.497 4.798 -1.520 257 HZ1 LYS 31 1HZ LYS 31 13.210 4.547 0.957 258 HZ2 LYS 31 2HZ LYS 31 12.083 3.286 0.962 259 HZ3 LYS 31 3HZ LYS 31 11.593 4.856 0.566 260 H LYS 32 H LYS 32 8.283 4.236 -4.704 261 HA LYS 32 HA LYS 32 7.551 6.402 -3.164 262 HB2 LYS 32 2HB LYS 32 8.357 6.481 -5.519 263 HB3 LYS 32 1HB LYS 32 6.770 5.940 -6.047 264 HG2 LYS 32 2HG LYS 32 5.947 7.997 -5.950 265 HG3 LYS 32 1HG LYS 32 6.563 8.239 -4.314 266 HD2 LYS 32 2HD LYS 32 8.139 8.570 -6.867 267 HD3 LYS 32 1HD LYS 32 7.501 9.878 -5.868 268 HE2 LYS 32 2HE LYS 32 8.862 8.765 -3.969 269 HE3 LYS 32 1HE LYS 32 9.723 7.957 -5.278 270 HZ1 LYS 32 1HZ LYS 32 10.021 10.300 -6.211 271 HZ2 LYS 32 2HZ LYS 32 10.958 9.864 -4.873 272 HZ3 LYS 32 3HZ LYS 32 9.594 10.843 -4.665 273 H LYS 33 H LYS 33 5.410 4.235 -4.994 274 HA LYS 33 HA LYS 33 3.010 5.539 -4.250 275 HB2 LYS 33 2HB LYS 33 3.144 4.126 -6.228 276 HB3 LYS 33 1HB LYS 33 3.481 2.720 -5.229 277 HG2 LYS 33 2HG LYS 33 1.255 2.980 -4.183 278 HG3 LYS 33 1HG LYS 33 0.924 4.308 -5.297 279 HD2 LYS 33 2HD LYS 33 0.487 2.914 -6.999 280 HD3 LYS 33 1HD LYS 33 1.869 1.884 -6.626 281 HE2 LYS 33 2HE LYS 33 0.352 0.369 -5.994 282 HE3 LYS 33 1HE LYS 33 0.162 1.358 -4.548 283 HZ1 LYS 33 1HZ LYS 33 -1.951 0.804 -5.689 284 HZ2 LYS 33 2HZ LYS 33 -1.443 1.719 -7.018 285 HZ3 LYS 33 3HZ LYS 33 -1.690 2.468 -5.521 286 H CYS 34 H CYS 34 4.989 3.179 -2.666 287 HA CYS 34 HA CYS 34 3.098 1.969 -0.984 288 HB2 CYS 34 2HB CYS 34 5.852 1.835 -1.383 289 HB3 CYS 34 1HB CYS 34 5.687 2.333 0.288 290 H GLU 35 H GLU 35 5.372 4.596 -0.176 291 HA GLU 35 HA GLU 35 4.257 5.094 2.355 292 HB2 GLU 35 2HB GLU 35 5.530 7.288 2.179 293 HB3 GLU 35 1HB GLU 35 6.471 5.809 2.051 294 HG2 GLU 35 2HG GLU 35 7.166 6.310 0.006 295 HG3 GLU 35 1HG GLU 35 5.539 6.731 -0.520 296 H GLU 36 H GLU 36 3.956 7.008 -0.646 297 HA GLU 36 HA GLU 36 2.271 8.969 0.249 298 HB2 GLU 36 2HB GLU 36 3.327 8.604 -2.085 299 HB3 GLU 36 1HB GLU 36 1.854 7.715 -2.449 300 HG2 GLU 36 2HG GLU 36 0.653 9.847 -1.605 301 HG3 GLU 36 1HG GLU 36 2.212 10.622 -1.877 302 H LEU 37 H LEU 37 1.535 5.647 -0.401 303 HA LEU 37 HA LEU 37 -1.277 5.876 -0.591 304 HB2 LEU 37 2HB LEU 37 -0.230 3.924 -1.449 305 HB3 LEU 37 1HB LEU 37 0.561 3.593 0.076 306 HG LEU 37 HG LEU 37 -1.410 2.793 1.067 307 HD11 LEU 37 1HD1 LEU 37 -2.714 4.542 -0.862 308 HD12 LEU 37 2HD1 LEU 37 -3.267 3.985 0.717 309 HD13 LEU 37 3HD1 LEU 37 -3.505 2.974 -0.708 310 HD21 LEU 37 1HD2 LEU 37 -0.366 1.566 -1.083 311 HD22 LEU 37 2HD2 LEU 37 -2.037 1.748 -1.617 312 HD23 LEU 37 3HD2 LEU 37 -1.679 0.894 -0.116 313 H LYS 38 H LYS 38 0.924 5.360 2.117 314 HA LYS 38 HA LYS 38 -1.057 4.783 4.050 315 HB2 LYS 38 2HB LYS 38 1.812 5.301 4.013 316 HB3 LYS 38 1HB LYS 38 1.033 5.944 5.452 317 HG2 LYS 38 2HG LYS 38 0.550 3.895 6.277 318 HG3 LYS 38 1HG LYS 38 0.315 3.185 4.679 319 HD2 LYS 38 2HD LYS 38 2.690 3.064 4.323 320 HD3 LYS 38 1HD LYS 38 3.000 3.948 5.819 321 HE2 LYS 38 2HE LYS 38 1.930 1.160 5.483 322 HE3 LYS 38 1HE LYS 38 3.393 1.677 6.321 323 HZ1 LYS 38 1HZ LYS 38 1.900 2.860 7.911 324 HZ2 LYS 38 2HZ LYS 38 1.772 1.174 7.952 325 HZ3 LYS 38 3HZ LYS 38 0.583 2.094 7.176 326 H LYS 39 H LYS 39 0.794 7.796 3.542 327 HA LYS 39 HA LYS 39 -0.522 9.395 5.353 328 HB2 LYS 39 2HB LYS 39 0.146 11.313 3.859 329 HB3 LYS 39 1HB LYS 39 1.448 10.229 4.323 330 HG2 LYS 39 2HG LYS 39 0.894 9.064 2.053 331 HG3 LYS 39 1HG LYS 39 0.171 10.628 1.667 332 HD2 LYS 39 2HD LYS 39 2.593 11.314 2.792 333 HD3 LYS 39 1HD LYS 39 2.978 9.862 1.866 334 HE2 LYS 39 2HE LYS 39 1.616 11.036 -0.017 335 HE3 LYS 39 1HE LYS 39 1.929 12.497 0.918 336 HZ1 LYS 39 1HZ LYS 39 3.788 12.536 -0.320 337 HZ2 LYS 39 2HZ LYS 39 3.754 10.879 -0.654 338 HZ3 LYS 39 3HZ LYS 39 4.367 11.430 0.822 339 H LYS 40 H LYS 40 -1.611 8.286 2.250 340 HA LYS 40 HA LYS 40 -3.680 10.205 1.893 341 HB2 LYS 40 2HB LYS 40 -2.646 8.737 0.100 342 HB3 LYS 40 1HB LYS 40 -3.608 7.413 0.746 343 HG2 LYS 40 2HG LYS 40 -5.262 8.045 -0.580 344 HG3 LYS 40 1HG LYS 40 -5.400 9.526 0.368 345 HD2 LYS 40 2HD LYS 40 -3.436 10.337 -1.154 346 HD3 LYS 40 1HD LYS 40 -3.998 9.054 -2.228 347 HE2 LYS 40 2HE LYS 40 -5.989 10.962 -1.104 348 HE3 LYS 40 1HE LYS 40 -4.942 11.506 -2.414 349 HZ1 LYS 40 1HZ LYS 40 -7.210 10.400 -2.942 350 HZ2 LYS 40 2HZ LYS 40 -6.376 8.953 -2.676 351 HZ3 LYS 40 3HZ LYS 40 -5.856 10.019 -3.882 352 H ILE 41 H ILE 41 -3.406 7.267 3.723 353 HA ILE 41 HA ILE 41 -6.224 6.810 3.997 354 HB ILE 41 HB ILE 41 -4.107 5.778 5.874 355 HG12 ILE 41 2HG1 ILE 41 -4.891 4.716 3.151 356 HG13 ILE 41 1HG1 ILE 41 -3.304 5.297 3.642 357 HG21 ILE 41 1HG2 ILE 41 -5.677 3.842 5.987 358 HG22 ILE 41 2HG2 ILE 41 -6.811 4.772 5.008 359 HG23 ILE 41 3HG2 ILE 41 -6.343 5.354 6.605 360 HD11 ILE 41 1HD1 ILE 41 -4.638 2.912 4.887 361 HD12 ILE 41 2HD1 ILE 41 -2.957 3.424 5.045 362 HD13 ILE 41 3HD1 ILE 41 -3.552 2.812 3.501 363 H GLU 42 H GLU 42 -3.718 8.334 5.990 364 HA GLU 42 HA GLU 42 -5.337 8.817 8.242 365 HB2 GLU 42 2HB GLU 42 -3.637 10.579 8.791 366 HB3 GLU 42 1HB GLU 42 -2.966 8.985 8.480 367 HG2 GLU 42 2HG GLU 42 -2.226 9.636 6.313 368 HG3 GLU 42 1HG GLU 42 -3.087 11.170 6.422 369 H GLU 43 H GLU 43 -4.943 10.507 5.213 370 HA GLU 43 HA GLU 43 -6.273 12.899 6.065 371 HB2 GLU 43 2HB GLU 43 -6.097 13.627 3.811 372 HB3 GLU 43 1HB GLU 43 -4.618 12.745 4.159 373 HG2 GLU 43 2HG GLU 43 -5.117 11.061 2.727 374 HG3 GLU 43 1HG GLU 43 -6.856 11.246 2.920 375 H LEU 44 H LEU 44 -7.209 9.860 4.665 376 HA LEU 44 HA LEU 44 -9.728 10.473 3.656 377 HB2 LEU 44 2HB LEU 44 -8.281 8.075 4.491 378 HB3 LEU 44 1HB LEU 44 -10.014 7.932 4.704 379 HG LEU 44 HG LEU 44 -8.595 8.581 2.121 380 HD11 LEU 44 1HD1 LEU 44 -8.308 6.268 2.740 381 HD12 LEU 44 2HD1 LEU 44 -9.466 6.384 1.414 382 HD13 LEU 44 3HD1 LEU 44 -10.034 6.106 3.060 383 HD21 LEU 44 1HD2 LEU 44 -11.150 7.919 1.467 384 HD22 LEU 44 2HD2 LEU 44 -10.544 9.569 1.615 385 HD23 LEU 44 3HD2 LEU 44 -11.392 8.817 2.965 386 H GLY 45 H GLY 45 -11.854 9.868 4.595 387 HA2 GLY 45 2HA GLY 45 -11.954 10.113 7.521 388 HA3 GLY 45 1HA GLY 45 -12.842 11.273 6.545 389 H GLY 46 H GLY 46 -14.763 10.683 5.595 390 HA2 GLY 46 2HA GLY 46 -15.626 7.933 5.550 391 HA3 GLY 46 1HA GLY 46 -16.425 8.894 6.784 392 H GLY 47 H GLY 47 -15.500 9.374 3.369 393 HA2 GLY 47 2HA GLY 47 -18.235 10.394 2.910 394 HA3 GLY 47 1HA GLY 47 -16.817 10.945 2.031 395 H GLY 48 H GLY 48 -15.800 8.145 1.827 396 HA2 GLY 48 2HA GLY 48 -17.027 6.154 0.766 397 HA3 GLY 48 1HA GLY 48 -17.536 7.350 -0.416 398 H GLU 49 H GLU 49 -14.716 8.581 0.084 399 HA GLU 49 HA GLU 49 -13.509 7.533 -2.223 400 HB2 GLU 49 2HB GLU 49 -13.118 9.796 -1.072 401 HB3 GLU 49 1HB GLU 49 -11.992 8.932 -0.034 402 HG2 GLU 49 2HG GLU 49 -10.469 8.623 -1.698 403 HG3 GLU 49 1HG GLU 49 -11.692 8.632 -2.970 404 H VAL 50 H VAL 50 -13.573 6.339 0.978 405 HA VAL 50 HA VAL 50 -11.128 5.100 1.296 406 HB VAL 50 HB VAL 50 -13.773 3.872 2.073 407 HG11 VAL 50 1HG1 VAL 50 -11.007 3.617 3.252 408 HG12 VAL 50 2HG1 VAL 50 -11.871 2.381 2.337 409 HG13 VAL 50 3HG1 VAL 50 -12.474 2.894 3.913 410 HG21 VAL 50 1HG2 VAL 50 -13.290 5.082 4.272 411 HG22 VAL 50 2HG2 VAL 50 -13.890 6.053 2.928 412 HG23 VAL 50 3HG2 VAL 50 -12.175 6.079 3.337 413 H LYS 51 H LYS 51 -13.691 4.299 -0.895 414 HA LYS 51 HA LYS 51 -12.939 1.599 -1.380 415 HB2 LYS 51 2HB LYS 51 -14.837 3.540 -2.500 416 HB3 LYS 51 1HB LYS 51 -14.209 2.396 -3.678 417 HG2 LYS 51 2HG LYS 51 -15.054 1.176 -1.156 418 HG3 LYS 51 1HG LYS 51 -16.350 1.962 -2.061 419 HD2 LYS 51 2HD LYS 51 -15.607 0.680 -4.076 420 HD3 LYS 51 1HD LYS 51 -14.490 -0.202 -3.033 421 HE2 LYS 51 2HE LYS 51 -17.368 -0.059 -2.274 422 HE3 LYS 51 1HE LYS 51 -16.884 -1.149 -3.572 423 HZ1 LYS 51 1HZ LYS 51 -15.298 -1.255 -1.134 424 HZ2 LYS 51 2HZ LYS 51 -15.808 -2.507 -2.150 425 HZ3 LYS 51 3HZ LYS 51 -16.879 -1.848 -1.021 426 H LYS 52 H LYS 52 -11.871 4.679 -2.599 427 HA LYS 52 HA LYS 52 -10.549 3.668 -4.921 428 HB2 LYS 52 2HB LYS 52 -11.186 5.972 -4.921 429 HB3 LYS 52 1HB LYS 52 -10.342 6.272 -3.409 430 HG2 LYS 52 2HG LYS 52 -8.201 5.871 -4.538 431 HG3 LYS 52 1HG LYS 52 -9.064 5.619 -6.057 432 HD2 LYS 52 2HD LYS 52 -10.033 8.044 -5.135 433 HD3 LYS 52 1HD LYS 52 -8.316 8.092 -4.728 434 HE2 LYS 52 2HE LYS 52 -8.586 9.017 -6.916 435 HE3 LYS 52 1HE LYS 52 -7.813 7.441 -7.080 436 HZ1 LYS 52 1HZ LYS 52 -9.725 6.498 -7.936 437 HZ2 LYS 52 2HZ LYS 52 -9.745 8.036 -8.638 438 HZ3 LYS 52 3HZ LYS 52 -10.741 7.701 -7.313 439 H VAL 53 H VAL 53 -9.294 4.925 -1.825 440 HA VAL 53 HA VAL 53 -6.619 4.292 -2.220 441 HB VAL 53 HB VAL 53 -8.028 4.179 0.447 442 HG11 VAL 53 1HG1 VAL 53 -5.648 3.387 0.278 443 HG12 VAL 53 2HG1 VAL 53 -5.921 4.720 1.399 444 HG13 VAL 53 3HG1 VAL 53 -5.212 5.031 -0.186 445 HG21 VAL 53 1HG2 VAL 53 -7.147 6.525 -1.205 446 HG22 VAL 53 2HG2 VAL 53 -7.294 6.627 0.549 447 HG23 VAL 53 3HG2 VAL 53 -8.708 6.240 -0.432 448 H GLU 54 H GLU 54 -9.283 2.214 -1.395 449 HA GLU 54 HA GLU 54 -7.816 0.068 -0.287 450 HB2 GLU 54 2HB GLU 54 -10.439 0.584 -0.505 451 HB3 GLU 54 1HB GLU 54 -10.267 -0.521 -1.862 452 HG2 GLU 54 2HG GLU 54 -9.164 -2.123 -0.250 453 HG3 GLU 54 1HG GLU 54 -9.708 -1.051 1.038 454 H GLU 55 H GLU 55 -8.697 0.931 -3.578 455 HA GLU 55 HA GLU 55 -7.747 -1.477 -4.773 456 HB2 GLU 55 2HB GLU 55 -9.428 -0.057 -5.860 457 HB3 GLU 55 1HB GLU 55 -8.254 1.244 -5.992 458 HG2 GLU 55 2HG GLU 55 -6.867 -0.563 -7.290 459 HG3 GLU 55 1HG GLU 55 -8.453 -1.296 -7.525 460 H GLU 56 H GLU 56 -6.297 1.531 -3.832 461 HA GLU 56 HA GLU 56 -3.966 1.351 -5.447 462 HB2 GLU 56 2HB GLU 56 -4.748 2.955 -3.036 463 HB3 GLU 56 1HB GLU 56 -3.094 2.995 -3.627 464 HG2 GLU 56 2HG GLU 56 -4.082 3.615 -5.884 465 HG3 GLU 56 1HG GLU 56 -5.591 3.895 -5.018 466 H VAL 57 H VAL 57 -4.876 0.048 -2.345 467 HA VAL 57 HA VAL 57 -2.172 -0.651 -1.603 468 HB VAL 57 HB VAL 57 -4.719 -1.638 -0.324 469 HG11 VAL 57 1HG1 VAL 57 -3.337 -1.955 1.637 470 HG12 VAL 57 2HG1 VAL 57 -1.941 -1.284 0.795 471 HG13 VAL 57 3HG1 VAL 57 -2.636 -2.817 0.266 472 HG21 VAL 57 1HG2 VAL 57 -5.140 0.405 0.435 473 HG22 VAL 57 2HG2 VAL 57 -3.772 1.035 -0.480 474 HG23 VAL 57 3HG2 VAL 57 -3.542 0.469 1.173 475 H LYS 58 H LYS 58 -4.872 -2.136 -3.194 476 HA LYS 58 HA LYS 58 -3.975 -4.834 -2.899 477 HB2 LYS 58 2HB LYS 58 -6.217 -3.427 -4.119 478 HB3 LYS 58 1HB LYS 58 -5.669 -4.791 -5.088 479 HG2 LYS 58 2HG LYS 58 -6.120 -6.331 -3.386 480 HG3 LYS 58 1HG LYS 58 -6.220 -5.071 -2.154 481 HD2 LYS 58 2HD LYS 58 -8.129 -4.805 -4.376 482 HD3 LYS 58 1HD LYS 58 -8.367 -6.219 -3.348 483 HE2 LYS 58 2HE LYS 58 -7.955 -3.517 -2.132 484 HE3 LYS 58 1HE LYS 58 -9.541 -3.982 -2.744 485 HZ1 LYS 58 1HZ LYS 58 -8.038 -5.659 -0.822 486 HZ2 LYS 58 2HZ LYS 58 -9.681 -5.739 -1.218 487 HZ3 LYS 58 3HZ LYS 58 -9.091 -4.432 -0.319 488 H LYS 59 H LYS 59 -3.401 -2.280 -5.200 489 HA LYS 59 HA LYS 59 -2.408 -3.979 -7.277 490 HB2 LYS 59 2HB LYS 59 -3.358 -1.802 -7.804 491 HB3 LYS 59 1HB LYS 59 -2.114 -1.002 -6.854 492 HG2 LYS 59 2HG LYS 59 -0.781 -2.627 -8.731 493 HG3 LYS 59 1HG LYS 59 -2.064 -1.782 -9.598 494 HD2 LYS 59 2HD LYS 59 -0.514 -0.133 -7.712 495 HD3 LYS 59 1HD LYS 59 0.387 -0.736 -9.105 496 HE2 LYS 59 2HE LYS 59 -1.945 0.119 -10.250 497 HE3 LYS 59 1HE LYS 59 -1.721 1.292 -8.953 498 HZ1 LYS 59 1HZ LYS 59 0.338 1.947 -9.818 499 HZ2 LYS 59 2HZ LYS 59 -0.668 1.826 -11.172 500 HZ3 LYS 59 3HZ LYS 59 0.453 0.603 -10.839 501 H LEU 60 H LEU 60 -0.891 -2.042 -4.720 502 HA LEU 60 HA LEU 60 1.760 -2.612 -5.660 503 HB2 LEU 60 2HB LEU 60 0.857 -0.616 -4.208 504 HB3 LEU 60 1HB LEU 60 1.240 -1.693 -2.875 505 HG LEU 60 HG LEU 60 3.444 -1.589 -4.728 506 HD11 LEU 60 1HD1 LEU 60 2.478 1.048 -3.651 507 HD12 LEU 60 2HD1 LEU 60 2.668 0.591 -5.344 508 HD13 LEU 60 3HD1 LEU 60 4.086 0.755 -4.311 509 HD21 LEU 60 1HD2 LEU 60 3.967 -2.309 -2.607 510 HD22 LEU 60 2HD2 LEU 60 2.964 -1.085 -1.826 511 HD23 LEU 60 3HD2 LEU 60 4.504 -0.631 -2.556 512 H GLU 61 H GLU 61 -0.445 -4.134 -3.461 513 HA GLU 61 HA GLU 61 1.490 -5.631 -2.012 514 HB2 GLU 61 2HB GLU 61 -1.189 -5.151 -1.730 515 HB3 GLU 61 1HB GLU 61 -1.185 -6.815 -2.287 516 HG2 GLU 61 2HG GLU 61 0.671 -7.055 -0.422 517 HG3 GLU 61 1HG GLU 61 -0.170 -5.655 0.241 518 H GLU 62 H GLU 62 -0.676 -6.428 -4.713 519 HA GLU 62 HA GLU 62 0.292 -9.067 -5.064 520 HB2 GLU 62 2HB GLU 62 -1.860 -7.695 -5.973 521 HB3 GLU 62 1HB GLU 62 -0.846 -7.674 -7.410 522 HG2 GLU 62 2HG GLU 62 -0.648 -10.153 -7.208 523 HG3 GLU 62 1HG GLU 62 -1.837 -10.080 -5.907 524 H GLU 63 H GLU 63 1.364 -5.961 -6.181 525 HA GLU 63 HA GLU 63 2.862 -6.745 -8.422 526 HB2 GLU 63 2HB GLU 63 2.408 -4.368 -6.945 527 HB3 GLU 63 1HB GLU 63 4.149 -4.567 -7.075 528 HG2 GLU 63 2HG GLU 63 2.341 -4.772 -9.458 529 HG3 GLU 63 1HG GLU 63 2.976 -3.229 -8.888 530 H ILE 64 H ILE 64 4.030 -6.019 -5.136 531 HA ILE 64 HA ILE 64 6.658 -6.778 -5.425 532 HB ILE 64 HB ILE 64 4.999 -7.237 -2.941 533 HG12 ILE 64 2HG1 ILE 64 6.451 -4.743 -3.857 534 HG13 ILE 64 1HG1 ILE 64 4.707 -4.936 -3.762 535 HG21 ILE 64 1HG2 ILE 64 7.238 -8.262 -2.938 536 HG22 ILE 64 2HG2 ILE 64 7.084 -6.974 -1.744 537 HG23 ILE 64 3HG2 ILE 64 7.945 -6.678 -3.254 538 HD11 ILE 64 1HD1 ILE 64 5.838 -3.671 -1.883 539 HD12 ILE 64 2HD1 ILE 64 6.469 -5.231 -1.356 540 HD13 ILE 64 3HD1 ILE 64 4.727 -4.960 -1.421 541 H LYS 65 H LYS 65 3.831 -8.786 -5.198 542 HA LYS 65 HA LYS 65 5.012 -11.188 -4.351 543 HB2 LYS 65 2HB LYS 65 2.465 -10.341 -5.174 544 HB3 LYS 65 1HB LYS 65 2.898 -11.644 -6.270 545 HG2 LYS 65 2HG LYS 65 1.837 -12.765 -4.561 546 HG3 LYS 65 1HG LYS 65 3.538 -12.922 -4.114 547 HD2 LYS 65 2HD LYS 65 2.793 -10.545 -2.932 548 HD3 LYS 65 1HD LYS 65 1.359 -11.557 -2.739 549 HE2 LYS 65 2HE LYS 65 4.156 -12.066 -1.768 550 HE3 LYS 65 1HE LYS 65 2.671 -11.950 -0.824 551 HZ1 LYS 65 1HZ LYS 65 2.081 -13.990 -2.424 552 HZ2 LYS 65 2HZ LYS 65 2.803 -14.179 -0.906 553 HZ3 LYS 65 3HZ LYS 65 3.756 -14.200 -2.303 554 H LYS 66 H LYS 66 4.814 -9.651 -7.495 555 HA LYS 66 HA LYS 66 5.656 -11.878 -9.031 556 HB2 LYS 66 2HB LYS 66 5.159 -9.030 -9.467 557 HB3 LYS 66 1HB LYS 66 6.483 -9.649 -10.444 558 HG2 LYS 66 2HG LYS 66 3.938 -11.186 -10.354 559 HG3 LYS 66 1HG LYS 66 4.010 -9.704 -11.310 560 HD2 LYS 66 2HD LYS 66 6.270 -11.565 -11.662 561 HD3 LYS 66 1HD LYS 66 4.708 -12.141 -12.245 562 HE2 LYS 66 2HE LYS 66 5.630 -9.387 -12.944 563 HE3 LYS 66 1HE LYS 66 6.275 -10.774 -13.822 564 HZ1 LYS 66 1HZ LYS 66 4.096 -9.530 -14.584 565 HZ2 LYS 66 2HZ LYS 66 3.377 -10.613 -13.502 566 HZ3 LYS 66 3HZ LYS 66 4.290 -11.198 -14.800 567 H LEU 67 H LEU 67 7.396 -9.158 -7.572 568 HA LEU 67 HA LEU 67 9.946 -10.157 -8.498 569 HB2 LEU 67 2HB LEU 67 10.761 -8.228 -6.977 570 HB3 LEU 67 1HB LEU 67 9.955 -7.852 -8.486 571 HG LEU 67 HG LEU 67 8.191 -8.022 -6.129 572 HD11 LEU 67 1HD1 LEU 67 10.508 -6.183 -6.245 573 HD12 LEU 67 2HD1 LEU 67 9.660 -6.858 -4.853 574 HD13 LEU 67 3HD1 LEU 67 8.959 -5.506 -5.744 575 HD21 LEU 67 1HD2 LEU 67 6.891 -6.715 -7.387 576 HD22 LEU 67 2HD2 LEU 67 8.003 -7.091 -8.702 577 HD23 LEU 67 3HD2 LEU 67 8.212 -5.611 -7.766 578 H6 HTS 101 H6 HTS 68 7.759 3.631 3.796 579 H3 HTS 101 H3 HTS 68 7.765 -0.619 1.297 580 H4 HTS 101 H4 HTS 68 9.894 0.518 1.799 581 H5 HTS 101 H5 HTS 68 9.888 2.638 3.056 582 HO1 HTS 101 HO1 HTS 68 5.242 2.424 4.308 Start of MODEL 22 1 H1 GLY 1 1H GLY 1 -11.282 0.681 16.335 2 H2 GLY 1 2H GLY 1 -11.231 0.901 14.659 3 H3 GLY 1 3H GLY 1 -11.944 -0.488 15.308 4 HA2 GLY 1 1HA GLY 1 -13.731 0.759 16.250 5 HA3 GLY 1 2HA GLY 1 -12.951 2.261 15.776 6 H SER 2 H SER 2 -12.226 1.871 13.218 7 HA SER 2 HA SER 2 -14.801 1.382 11.876 8 HB2 SER 2 2HB SER 2 -13.446 2.844 10.057 9 HB3 SER 2 1HB SER 2 -14.449 3.565 11.316 10 HG SER 2 HG SER 2 -12.640 3.979 12.515 11 H ARG 3 H ARG 3 -14.182 1.136 9.318 12 HA ARG 3 HA ARG 3 -12.822 -1.415 9.217 13 HB2 ARG 3 2HB ARG 3 -14.936 -1.081 8.006 14 HB3 ARG 3 1HB ARG 3 -14.182 0.172 7.032 15 HG2 ARG 3 2HG ARG 3 -12.488 -1.732 6.437 16 HG3 ARG 3 1HG ARG 3 -13.815 -2.780 6.940 17 HD2 ARG 3 2HD ARG 3 -14.301 -0.544 5.013 18 HD3 ARG 3 1HD ARG 3 -13.614 -2.067 4.450 19 HE ARG 3 HE ARG 3 -16.326 -1.584 5.273 20 HH11 ARG 3 1HH1 ARG 3 -13.846 -4.007 4.870 21 HH12 ARG 3 2HH1 ARG 3 -14.972 -5.314 4.723 22 HH21 ARG 3 1HH2 ARG 3 -17.808 -3.303 5.079 23 HH22 ARG 3 2HH2 ARG 3 -17.220 -4.915 4.840 24 H VAL 4 H VAL 4 -12.261 1.885 8.214 25 HA VAL 4 HA VAL 4 -10.118 1.390 6.434 26 HB VAL 4 HB VAL 4 -10.509 3.889 8.078 27 HG11 VAL 4 1HG1 VAL 4 -9.357 3.573 5.315 28 HG12 VAL 4 2HG1 VAL 4 -8.380 3.586 6.783 29 HG13 VAL 4 3HG1 VAL 4 -9.328 5.007 6.343 30 HG21 VAL 4 1HG2 VAL 4 -12.103 2.777 5.867 31 HG22 VAL 4 2HG2 VAL 4 -11.651 4.473 5.701 32 HG23 VAL 4 3HG2 VAL 4 -12.549 3.936 7.120 33 H LYS 5 H LYS 5 -10.327 1.613 9.902 34 HA LYS 5 HA LYS 5 -7.701 2.205 10.581 35 HB2 LYS 5 2HB LYS 5 -10.030 1.226 11.905 36 HB3 LYS 5 1HB LYS 5 -8.667 0.228 12.395 37 HG2 LYS 5 2HG LYS 5 -7.907 2.990 12.436 38 HG3 LYS 5 1HG LYS 5 -9.390 2.758 13.362 39 HD2 LYS 5 2HD LYS 5 -8.377 1.400 14.905 40 HD3 LYS 5 1HD LYS 5 -7.163 0.827 13.761 41 HE2 LYS 5 2HE LYS 5 -5.883 2.176 15.105 42 HE3 LYS 5 1HE LYS 5 -6.353 3.315 13.845 43 HZ1 LYS 5 1HZ LYS 5 -7.126 3.222 16.642 44 HZ2 LYS 5 2HZ LYS 5 -8.360 3.623 15.558 45 HZ3 LYS 5 3HZ LYS 5 -6.947 4.551 15.610 46 H ALA 6 H ALA 6 -9.148 -0.849 9.604 47 HA ALA 6 HA ALA 6 -6.834 -2.431 10.160 48 HB1 ALA 6 1HB ALA 6 -9.475 -2.866 8.911 49 HB2 ALA 6 2HB ALA 6 -8.618 -3.821 10.122 50 HB3 ALA 6 3HB ALA 6 -8.182 -3.960 8.419 51 H LEU 7 H LEU 7 -7.902 -0.490 7.499 52 HA LEU 7 HA LEU 7 -6.367 -1.666 5.440 53 HB2 LEU 7 2HB LEU 7 -8.257 0.294 5.579 54 HB3 LEU 7 1HB LEU 7 -6.809 1.240 5.296 55 HG LEU 7 HG LEU 7 -7.673 -1.059 3.546 56 HD11 LEU 7 1HD1 LEU 7 -7.877 1.722 2.581 57 HD12 LEU 7 2HD1 LEU 7 -9.086 1.209 3.758 58 HD13 LEU 7 3HD1 LEU 7 -8.897 0.322 2.246 59 HD21 LEU 7 1HD2 LEU 7 -5.286 0.536 3.725 60 HD22 LEU 7 2HD2 LEU 7 -6.073 0.783 2.167 61 HD23 LEU 7 3HD2 LEU 7 -5.635 -0.845 2.685 62 H GLU 8 H GLU 8 -5.601 0.608 7.969 63 HA GLU 8 HA GLU 8 -3.149 1.514 6.794 64 HB2 GLU 8 2HB GLU 8 -4.372 1.792 9.530 65 HB3 GLU 8 1HB GLU 8 -2.760 2.395 9.169 66 HG2 GLU 8 2HG GLU 8 -3.625 3.890 7.509 67 HG3 GLU 8 1HG GLU 8 -5.240 3.201 7.672 68 H GLU 9 H GLU 9 -4.067 -1.062 8.983 69 HA GLU 9 HA GLU 9 -1.381 -1.632 9.816 70 HB2 GLU 9 2HB GLU 9 -2.311 -3.535 10.957 71 HB3 GLU 9 1HB GLU 9 -3.380 -2.162 11.199 72 HG2 GLU 9 2HG GLU 9 -5.044 -3.051 9.902 73 HG3 GLU 9 1HG GLU 9 -3.936 -4.047 8.963 74 H LYS 10 H LYS 10 -3.344 -2.492 7.120 75 HA LYS 10 HA LYS 10 -2.038 -4.927 6.441 76 HB2 LYS 10 2HB LYS 10 -4.224 -3.410 5.479 77 HB3 LYS 10 1HB LYS 10 -3.119 -3.612 4.128 78 HG2 LYS 10 2HG LYS 10 -3.253 -6.125 5.315 79 HG3 LYS 10 1HG LYS 10 -4.908 -5.516 5.347 80 HD2 LYS 10 2HD LYS 10 -4.622 -4.945 2.907 81 HD3 LYS 10 1HD LYS 10 -3.103 -5.844 2.956 82 HE2 LYS 10 2HE LYS 10 -4.554 -7.753 3.940 83 HE3 LYS 10 1HE LYS 10 -5.908 -6.846 3.268 84 HZ1 LYS 10 1HZ LYS 10 -3.568 -7.559 1.612 85 HZ2 LYS 10 2HZ LYS 10 -5.127 -7.136 1.110 86 HZ3 LYS 10 3HZ LYS 10 -4.850 -8.641 1.830 87 H VAL 11 H VAL 11 -1.822 -1.649 5.060 88 HA VAL 11 HA VAL 11 0.333 -2.236 3.337 89 HB VAL 11 HB VAL 11 -0.346 0.481 4.457 90 HG11 VAL 11 1HG1 VAL 11 1.444 1.042 3.238 91 HG12 VAL 11 2HG1 VAL 11 0.402 0.785 1.839 92 HG13 VAL 11 3HG1 VAL 11 1.466 -0.507 2.393 93 HG21 VAL 11 1HG2 VAL 11 -2.369 0.148 3.548 94 HG22 VAL 11 2HG2 VAL 11 -1.830 -1.252 2.621 95 HG23 VAL 11 3HG2 VAL 11 -1.541 0.376 2.007 96 H LYS 12 H LYS 12 0.185 -1.305 6.670 97 HA LYS 12 HA LYS 12 2.775 -0.332 7.053 98 HB2 LYS 12 2HB LYS 12 0.756 -0.417 8.686 99 HB3 LYS 12 1HB LYS 12 1.378 -2.003 9.124 100 HG2 LYS 12 2HG LYS 12 3.216 0.342 9.154 101 HG3 LYS 12 1HG LYS 12 2.070 0.113 10.477 102 HD2 LYS 12 2HD LYS 12 3.538 -2.309 9.722 103 HD3 LYS 12 1HD LYS 12 4.558 -1.008 10.337 104 HE2 LYS 12 2HE LYS 12 2.095 -2.050 11.730 105 HE3 LYS 12 1HE LYS 12 3.739 -2.575 12.091 106 HZ1 LYS 12 1HZ LYS 12 2.560 -0.614 13.393 107 HZ2 LYS 12 2HZ LYS 12 3.227 0.296 12.133 108 HZ3 LYS 12 3HZ LYS 12 4.230 -0.638 13.124 109 H ALA 13 H ALA 13 1.533 -3.621 6.944 110 HA ALA 13 HA ALA 13 4.075 -4.796 7.671 111 HB1 ALA 13 1HB ALA 13 1.360 -5.784 7.061 112 HB2 ALA 13 2HB ALA 13 2.504 -6.300 8.301 113 HB3 ALA 13 3HB ALA 13 2.687 -6.867 6.641 114 H LEU 14 H LEU 14 2.418 -3.754 4.872 115 HA LEU 14 HA LEU 14 3.694 -5.257 2.868 116 HB2 LEU 14 2HB LEU 14 1.610 -3.677 2.869 117 HB3 LEU 14 1HB LEU 14 2.776 -2.432 2.477 118 HG LEU 14 HG LEU 14 3.081 -4.753 0.756 119 HD11 LEU 14 1HD1 LEU 14 0.365 -3.721 1.260 120 HD12 LEU 14 2HD1 LEU 14 0.892 -5.292 0.654 121 HD13 LEU 14 3HD1 LEU 14 0.826 -3.905 -0.433 122 HD21 LEU 14 1HD2 LEU 14 3.056 -1.843 0.616 123 HD22 LEU 14 2HD2 LEU 14 2.303 -2.610 -0.781 124 HD23 LEU 14 3HD2 LEU 14 3.961 -3.016 -0.338 125 H GLU 15 H GLU 15 4.684 -2.538 4.764 126 HA GLU 15 HA GLU 15 6.765 -1.644 3.012 127 HB2 GLU 15 2HB GLU 15 5.794 -0.013 4.442 128 HB3 GLU 15 1HB GLU 15 6.015 -1.019 5.865 129 HG2 GLU 15 2HG GLU 15 8.434 -0.725 5.697 130 HG3 GLU 15 1HG GLU 15 8.211 0.279 4.267 131 H GLU 16 H GLU 16 6.628 -3.573 5.985 132 HA GLU 16 HA GLU 16 9.331 -3.872 6.477 133 HB2 GLU 16 2HB GLU 16 7.115 -5.890 6.865 134 HB3 GLU 16 1HB GLU 16 8.721 -6.024 7.570 135 HG2 GLU 16 2HG GLU 16 7.132 -3.559 8.071 136 HG3 GLU 16 1HG GLU 16 6.717 -5.040 8.935 137 H LYS 17 H LYS 17 7.363 -5.375 4.024 138 HA LYS 17 HA LYS 17 9.259 -7.415 3.349 139 HB2 LYS 17 2HB LYS 17 6.656 -7.233 2.897 140 HB3 LYS 17 1HB LYS 17 7.199 -6.482 1.403 141 HG2 LYS 17 2HG LYS 17 8.749 -8.799 1.710 142 HG3 LYS 17 1HG LYS 17 7.092 -9.255 2.112 143 HD2 LYS 17 2HD LYS 17 6.304 -8.365 -0.003 144 HD3 LYS 17 1HD LYS 17 7.930 -7.802 -0.397 145 HE2 LYS 17 2HE LYS 17 7.450 -9.873 -1.564 146 HE3 LYS 17 1HE LYS 17 8.726 -10.123 -0.373 147 HZ1 LYS 17 1HZ LYS 17 6.847 -11.834 -0.525 148 HZ2 LYS 17 2HZ LYS 17 5.907 -10.690 0.292 149 HZ3 LYS 17 3HZ LYS 17 7.311 -11.300 1.013 150 H VAL 18 H VAL 18 8.264 -4.363 1.806 151 HA VAL 18 HA VAL 18 10.122 -4.502 -0.313 152 HB VAL 18 HB VAL 18 8.928 -2.011 0.862 153 HG11 VAL 18 1HG1 VAL 18 9.672 -2.475 -2.004 154 HG12 VAL 18 2HG1 VAL 18 10.849 -1.889 -0.829 155 HG13 VAL 18 3HG1 VAL 18 9.395 -0.949 -1.167 156 HG21 VAL 18 1HG2 VAL 18 7.144 -3.570 0.387 157 HG22 VAL 18 2HG2 VAL 18 7.806 -3.883 -1.218 158 HG23 VAL 18 3HG2 VAL 18 7.144 -2.293 -0.830 159 H LYS 19 H LYS 19 10.181 -2.588 2.694 160 HA LYS 19 HA LYS 19 12.599 -1.329 2.373 161 HB2 LYS 19 2HB LYS 19 11.351 -2.396 4.906 162 HB3 LYS 19 1HB LYS 19 12.729 -1.306 4.876 163 HG2 LYS 19 2HG LYS 19 11.135 0.169 3.411 164 HG3 LYS 19 1HG LYS 19 9.881 -0.782 4.209 165 HD2 LYS 19 2HD LYS 19 10.075 0.449 6.051 166 HD3 LYS 19 1HD LYS 19 11.793 0.063 6.159 167 HE2 LYS 19 2HE LYS 19 11.483 1.970 4.091 168 HE3 LYS 19 1HE LYS 19 10.545 2.537 5.472 169 HZ1 LYS 19 1HZ LYS 19 12.772 1.809 6.699 170 HZ2 LYS 19 2HZ LYS 19 12.543 3.361 6.067 171 HZ3 LYS 19 3HZ LYS 19 13.424 2.215 5.190 172 H ALA 20 H ALA 20 11.995 -4.660 3.223 173 HA ALA 20 HA ALA 20 14.803 -5.132 3.853 174 HB1 ALA 20 1HB ALA 20 13.654 -6.419 5.317 175 HB2 ALA 20 2HB ALA 20 13.735 -7.580 3.991 176 HB3 ALA 20 3HB ALA 20 12.277 -6.618 4.234 177 H LEU 21 H LEU 21 12.825 -5.128 1.129 178 HA LEU 21 HA LEU 21 13.891 -7.327 -0.302 179 HB2 LEU 21 2HB LEU 21 11.834 -5.549 -0.661 180 HB3 LEU 21 1HB LEU 21 12.977 -5.037 -1.886 181 HG LEU 21 HG LEU 21 11.915 -7.846 -1.601 182 HD11 LEU 21 1HD1 LEU 21 10.636 -5.556 -2.624 183 HD12 LEU 21 2HD1 LEU 21 10.123 -7.238 -2.752 184 HD13 LEU 21 3HD1 LEU 21 11.130 -6.527 -4.011 185 HD21 LEU 21 1HD2 LEU 21 14.232 -7.310 -2.681 186 HD22 LEU 21 2HD2 LEU 21 13.250 -6.745 -4.032 187 HD23 LEU 21 3HD2 LEU 21 13.115 -8.415 -3.481 188 H GLY 22 H GLY 22 14.338 -3.865 -1.047 189 HA2 GLY 22 2HA GLY 22 16.349 -2.729 -1.428 190 HA3 GLY 22 1HA GLY 22 17.210 -4.255 -1.291 191 H GLY 23 H GLY 23 17.808 -2.409 -3.277 192 HA2 GLY 23 2HA GLY 23 18.489 -2.987 -5.503 193 HA3 GLY 23 1HA GLY 23 17.031 -3.956 -5.657 194 H GLY 24 H GLY 24 16.835 -2.774 -7.712 195 HA2 GLY 24 2HA GLY 24 15.291 -0.313 -7.281 196 HA3 GLY 24 1HA GLY 24 16.614 -0.284 -8.438 197 H GLY 25 H GLY 25 14.436 0.420 -9.590 198 HA2 GLY 25 2HA GLY 25 13.271 -0.118 -11.526 199 HA3 GLY 25 1HA GLY 25 13.797 -1.785 -11.345 200 H ARG 26 H ARG 26 12.437 -3.256 -10.467 201 HA ARG 26 HA ARG 26 9.697 -2.756 -10.373 202 HB2 ARG 26 2HB ARG 26 11.292 -4.990 -10.268 203 HB3 ARG 26 1HB ARG 26 10.597 -4.962 -8.656 204 HG2 ARG 26 2HG ARG 26 9.170 -5.153 -11.289 205 HG3 ARG 26 1HG ARG 26 9.190 -6.317 -9.964 206 HD2 ARG 26 2HD ARG 26 7.464 -5.332 -8.966 207 HD3 ARG 26 1HD ARG 26 8.207 -3.742 -9.087 208 HE ARG 26 HE ARG 26 6.506 -4.999 -11.133 209 HH11 ARG 26 1HH1 ARG 26 7.963 -2.139 -9.736 210 HH12 ARG 26 2HH1 ARG 26 7.088 -1.053 -10.759 211 HH21 ARG 26 1HH2 ARG 26 5.363 -3.562 -12.466 212 HH22 ARG 26 2HH2 ARG 26 5.614 -1.856 -12.302 213 H ILE 27 H ILE 27 11.805 -3.493 -7.595 214 HA ILE 27 HA ILE 27 9.980 -2.905 -5.592 215 HB ILE 27 HB ILE 27 12.961 -2.481 -5.393 216 HG12 ILE 27 2HG1 ILE 27 12.336 -4.975 -4.322 217 HG13 ILE 27 1HG1 ILE 27 11.401 -4.903 -5.810 218 HG21 ILE 27 1HG2 ILE 27 10.988 -3.287 -3.265 219 HG22 ILE 27 2HG2 ILE 27 11.534 -1.631 -3.531 220 HG23 ILE 27 3HG2 ILE 27 12.690 -2.875 -3.052 221 HD11 ILE 27 1HD1 ILE 27 13.781 -5.870 -5.867 222 HD12 ILE 27 2HD1 ILE 27 14.299 -4.186 -5.806 223 HD13 ILE 27 3HD1 ILE 27 13.287 -4.749 -7.136 224 H GLU 28 H GLU 28 11.961 -0.742 -7.489 225 HA GLU 28 HA GLU 28 11.938 1.509 -5.840 226 HB2 GLU 28 2HB GLU 28 12.493 0.927 -8.642 227 HB3 GLU 28 1HB GLU 28 11.814 2.533 -8.411 228 HG2 GLU 28 2HG GLU 28 13.569 2.959 -6.702 229 HG3 GLU 28 1HG GLU 28 14.288 1.406 -7.125 230 H GLU 29 H GLU 29 9.720 0.785 -8.552 231 HA GLU 29 HA GLU 29 8.028 2.977 -8.171 232 HB2 GLU 29 2HB GLU 29 7.996 1.631 -10.207 233 HB3 GLU 29 1HB GLU 29 7.386 0.251 -9.307 234 HG2 GLU 29 2HG GLU 29 5.461 1.037 -10.246 235 HG3 GLU 29 1HG GLU 29 5.436 1.881 -8.700 236 H LEU 30 H LEU 30 8.115 -0.147 -6.625 237 HA LEU 30 HA LEU 30 5.560 -0.002 -5.397 238 HB2 LEU 30 2HB LEU 30 8.014 -1.639 -4.799 239 HB3 LEU 30 1HB LEU 30 6.516 -1.806 -3.904 240 HG LEU 30 HG LEU 30 6.284 -2.021 -6.843 241 HD11 LEU 30 1HD1 LEU 30 6.914 -4.575 -6.316 242 HD12 LEU 30 2HD1 LEU 30 8.054 -3.756 -5.247 243 HD13 LEU 30 3HD1 LEU 30 8.058 -3.406 -6.975 244 HD21 LEU 30 1HD2 LEU 30 5.075 -4.175 -5.653 245 HD22 LEU 30 2HD2 LEU 30 4.295 -2.644 -6.045 246 HD23 LEU 30 3HD2 LEU 30 4.929 -2.920 -4.423 247 H LYS 31 H LYS 31 8.605 1.412 -4.660 248 HA LYS 31 HA LYS 31 8.145 1.741 -1.850 249 HB2 LYS 31 2HB LYS 31 10.412 1.604 -2.748 250 HB3 LYS 31 1HB LYS 31 10.143 3.064 -3.690 251 HG2 LYS 31 2HG LYS 31 10.537 4.408 -1.948 252 HG3 LYS 31 1HG LYS 31 9.636 3.385 -0.829 253 HD2 LYS 31 2HD LYS 31 11.477 2.058 -0.358 254 HD3 LYS 31 1HD LYS 31 12.296 2.488 -1.861 255 HE2 LYS 31 2HE LYS 31 12.423 4.855 -0.890 256 HE3 LYS 31 1HE LYS 31 12.005 4.108 0.652 257 HZ1 LYS 31 1HZ LYS 31 13.968 2.832 0.622 258 HZ2 LYS 31 2HZ LYS 31 14.442 4.397 0.191 259 HZ3 LYS 31 3HZ LYS 31 14.295 3.202 -0.996 260 H LYS 32 H LYS 32 8.318 4.080 -4.545 261 HA LYS 32 HA LYS 32 7.555 6.338 -3.164 262 HB2 LYS 32 2HB LYS 32 8.119 5.755 -5.775 263 HB3 LYS 32 1HB LYS 32 6.411 6.165 -5.864 264 HG2 LYS 32 2HG LYS 32 8.226 7.979 -4.363 265 HG3 LYS 32 1HG LYS 32 8.279 7.993 -6.127 266 HD2 LYS 32 2HD LYS 32 5.722 8.219 -5.997 267 HD3 LYS 32 1HD LYS 32 5.986 8.652 -4.307 268 HE2 LYS 32 2HE LYS 32 6.101 10.738 -5.176 269 HE3 LYS 32 1HE LYS 32 7.779 10.272 -5.452 270 HZ1 LYS 32 1HZ LYS 32 7.292 10.920 -7.536 271 HZ2 LYS 32 2HZ LYS 32 5.629 10.671 -7.362 272 HZ3 LYS 32 3HZ LYS 32 6.650 9.360 -7.675 273 H LYS 33 H LYS 33 5.368 4.283 -5.088 274 HA LYS 33 HA LYS 33 3.005 5.568 -4.298 275 HB2 LYS 33 2HB LYS 33 3.718 3.445 -5.998 276 HB3 LYS 33 1HB LYS 33 2.532 2.790 -4.880 277 HG2 LYS 33 2HG LYS 33 1.347 5.124 -5.538 278 HG3 LYS 33 1HG LYS 33 2.217 4.763 -7.031 279 HD2 LYS 33 2HD LYS 33 0.050 3.785 -7.214 280 HD3 LYS 33 1HD LYS 33 1.200 2.472 -6.961 281 HE2 LYS 33 2HE LYS 33 -0.512 1.915 -5.509 282 HE3 LYS 33 1HE LYS 33 0.610 2.772 -4.454 283 HZ1 LYS 33 1HZ LYS 33 -1.999 3.637 -5.485 284 HZ2 LYS 33 2HZ LYS 33 -0.831 4.811 -5.138 285 HZ3 LYS 33 3HZ LYS 33 -1.366 3.764 -3.921 286 H CYS 34 H CYS 34 4.921 3.174 -2.687 287 HA CYS 34 HA CYS 34 3.002 1.980 -1.040 288 HB2 CYS 34 2HB CYS 34 5.811 1.942 -1.311 289 HB3 CYS 34 1HB CYS 34 5.488 2.309 0.375 290 H GLU 35 H GLU 35 5.210 4.667 -0.179 291 HA GLU 35 HA GLU 35 3.991 5.146 2.313 292 HB2 GLU 35 2HB GLU 35 5.247 7.353 2.185 293 HB3 GLU 35 1HB GLU 35 6.210 5.885 2.094 294 HG2 GLU 35 2HG GLU 35 6.997 6.420 0.095 295 HG3 GLU 35 1HG GLU 35 5.384 6.767 -0.519 296 H GLU 36 H GLU 36 3.779 7.018 -0.721 297 HA GLU 36 HA GLU 36 2.061 8.988 0.064 298 HB2 GLU 36 2HB GLU 36 3.157 8.590 -2.224 299 HB3 GLU 36 1HB GLU 36 1.743 7.612 -2.593 300 HG2 GLU 36 2HG GLU 36 1.082 10.237 -1.514 301 HG3 GLU 36 1HG GLU 36 1.992 10.303 -3.022 302 H LEU 37 H LEU 37 1.362 5.644 -0.477 303 HA LEU 37 HA LEU 37 -1.461 5.855 -0.697 304 HB2 LEU 37 2HB LEU 37 -0.463 3.915 -1.581 305 HB3 LEU 37 1HB LEU 37 0.447 3.612 -0.119 306 HG LEU 37 HG LEU 37 -1.496 2.838 1.033 307 HD11 LEU 37 1HD1 LEU 37 -3.695 3.001 0.287 308 HD12 LEU 37 2HD1 LEU 37 -3.208 3.317 -1.378 309 HD13 LEU 37 3HD1 LEU 37 -3.002 4.562 -0.149 310 HD21 LEU 37 1HD2 LEU 37 -1.412 0.834 0.067 311 HD22 LEU 37 2HD2 LEU 37 -0.414 1.581 -1.180 312 HD23 LEU 37 3HD2 LEU 37 -2.155 1.433 -1.416 313 H LYS 38 H LYS 38 0.748 5.263 2.001 314 HA LYS 38 HA LYS 38 -1.180 4.641 3.943 315 HB2 LYS 38 2HB LYS 38 1.636 5.632 4.019 316 HB3 LYS 38 1HB LYS 38 0.695 5.645 5.505 317 HG2 LYS 38 2HG LYS 38 0.490 3.328 5.542 318 HG3 LYS 38 1HG LYS 38 0.898 3.171 3.832 319 HD2 LYS 38 2HD LYS 38 3.168 3.525 4.217 320 HD3 LYS 38 1HD LYS 38 2.881 4.280 5.785 321 HE2 LYS 38 2HE LYS 38 1.837 1.817 6.206 322 HE3 LYS 38 1HE LYS 38 3.124 1.437 5.063 323 HZ1 LYS 38 1HZ LYS 38 3.495 2.962 7.584 324 HZ2 LYS 38 2HZ LYS 38 4.713 2.487 6.512 325 HZ3 LYS 38 3HZ LYS 38 3.855 1.320 7.385 326 H LYS 39 H LYS 39 0.503 7.753 3.444 327 HA LYS 39 HA LYS 39 -0.860 9.272 5.287 328 HB2 LYS 39 2HB LYS 39 -0.192 11.220 4.003 329 HB3 LYS 39 1HB LYS 39 1.113 10.042 4.022 330 HG2 LYS 39 2HG LYS 39 0.255 9.269 1.767 331 HG3 LYS 39 1HG LYS 39 -0.737 10.729 1.763 332 HD2 LYS 39 2HD LYS 39 2.248 10.762 2.166 333 HD3 LYS 39 1HD LYS 39 1.487 10.907 0.580 334 HE2 LYS 39 2HE LYS 39 0.669 12.997 1.011 335 HE3 LYS 39 1HE LYS 39 0.545 12.708 2.746 336 HZ1 LYS 39 1HZ LYS 39 2.294 14.297 2.209 337 HZ2 LYS 39 2HZ LYS 39 3.078 13.141 1.257 338 HZ3 LYS 39 3HZ LYS 39 2.937 12.906 2.926 339 H LYS 40 H LYS 40 -1.949 8.150 2.178 340 HA LYS 40 HA LYS 40 -4.111 9.973 1.883 341 HB2 LYS 40 2HB LYS 40 -3.136 8.681 0.005 342 HB3 LYS 40 1HB LYS 40 -3.790 7.206 0.703 343 HG2 LYS 40 2HG LYS 40 -5.373 7.701 -0.876 344 HG3 LYS 40 1HG LYS 40 -6.062 8.474 0.552 345 HD2 LYS 40 2HD LYS 40 -6.204 10.310 -0.722 346 HD3 LYS 40 1HD LYS 40 -4.462 10.450 -0.480 347 HE2 LYS 40 2HE LYS 40 -5.153 8.612 -2.627 348 HE3 LYS 40 1HE LYS 40 -5.765 10.241 -2.905 349 HZ1 LYS 40 1HZ LYS 40 -3.337 9.519 -3.592 350 HZ2 LYS 40 2HZ LYS 40 -3.002 9.987 -2.002 351 HZ3 LYS 40 3HZ LYS 40 -3.690 11.094 -3.080 352 H ILE 41 H ILE 41 -3.685 6.976 3.605 353 HA ILE 41 HA ILE 41 -6.479 6.459 3.990 354 HB ILE 41 HB ILE 41 -4.267 5.401 5.740 355 HG12 ILE 41 2HG1 ILE 41 -5.133 4.408 3.016 356 HG13 ILE 41 1HG1 ILE 41 -3.546 5.030 3.451 357 HG21 ILE 41 1HG2 ILE 41 -5.811 3.412 5.778 358 HG22 ILE 41 2HG2 ILE 41 -7.003 4.423 4.960 359 HG23 ILE 41 3HG2 ILE 41 -6.422 4.866 6.565 360 HD11 ILE 41 1HD1 ILE 41 -3.528 3.075 5.150 361 HD12 ILE 41 2HD1 ILE 41 -3.204 2.759 3.446 362 HD13 ILE 41 3HD1 ILE 41 -4.796 2.410 4.120 363 H GLU 42 H GLU 42 -3.986 8.231 5.681 364 HA GLU 42 HA GLU 42 -5.390 8.543 8.133 365 HB2 GLU 42 2HB GLU 42 -2.952 9.661 6.890 366 HB3 GLU 42 1HB GLU 42 -3.733 10.691 8.082 367 HG2 GLU 42 2HG GLU 42 -3.606 8.892 9.726 368 HG3 GLU 42 1HG GLU 42 -2.825 7.858 8.532 369 H GLU 43 H GLU 43 -5.357 10.249 5.087 370 HA GLU 43 HA GLU 43 -6.765 12.552 6.048 371 HB2 GLU 43 2HB GLU 43 -6.830 13.271 3.777 372 HB3 GLU 43 1HB GLU 43 -5.260 12.525 4.029 373 HG2 GLU 43 2HG GLU 43 -5.656 10.883 2.558 374 HG3 GLU 43 1HG GLU 43 -7.349 10.728 3.011 375 H LEU 44 H LEU 44 -7.608 9.449 4.753 376 HA LEU 44 HA LEU 44 -10.223 9.882 3.915 377 HB2 LEU 44 2HB LEU 44 -8.561 7.608 4.653 378 HB3 LEU 44 1HB LEU 44 -10.247 7.349 5.051 379 HG LEU 44 HG LEU 44 -9.140 8.009 2.323 380 HD11 LEU 44 1HD1 LEU 44 -8.711 5.719 3.026 381 HD12 LEU 44 2HD1 LEU 44 -9.921 5.768 1.743 382 HD13 LEU 44 3HD1 LEU 44 -10.418 5.507 3.414 383 HD21 LEU 44 1HD2 LEU 44 -11.231 9.047 2.360 384 HD22 LEU 44 2HD2 LEU 44 -11.946 7.777 3.354 385 HD23 LEU 44 3HD2 LEU 44 -11.556 7.459 1.664 386 H GLY 45 H GLY 45 -12.068 8.549 5.201 387 HA2 GLY 45 2HA GLY 45 -12.031 9.265 8.035 388 HA3 GLY 45 1HA GLY 45 -13.251 10.035 7.033 389 H GLY 46 H GLY 46 -14.638 8.497 5.739 390 HA2 GLY 46 2HA GLY 46 -15.068 5.983 7.225 391 HA3 GLY 46 1HA GLY 46 -16.408 7.062 6.868 392 H GLY 47 H GLY 47 -17.614 5.857 5.503 393 HA2 GLY 47 2HA GLY 47 -16.425 4.263 3.423 394 HA3 GLY 47 1HA GLY 47 -18.143 4.519 3.690 395 H GLY 48 H GLY 48 -17.452 4.466 1.152 396 HA2 GLY 48 2HA GLY 48 -18.200 5.911 -0.599 397 HA3 GLY 48 1HA GLY 48 -17.661 7.287 0.352 398 H GLU 49 H GLU 49 -15.219 7.285 0.783 399 HA GLU 49 HA GLU 49 -13.903 6.876 -1.793 400 HB2 GLU 49 2HB GLU 49 -13.754 9.101 -0.777 401 HB3 GLU 49 1HB GLU 49 -13.006 8.408 0.655 402 HG2 GLU 49 2HG GLU 49 -10.990 8.377 -0.281 403 HG3 GLU 49 1HG GLU 49 -11.605 7.707 -1.791 404 H VAL 50 H VAL 50 -13.998 5.573 1.385 405 HA VAL 50 HA VAL 50 -11.478 4.547 1.786 406 HB VAL 50 HB VAL 50 -13.327 4.355 3.404 407 HG11 VAL 50 1HG1 VAL 50 -15.008 3.615 1.670 408 HG12 VAL 50 2HG1 VAL 50 -15.057 2.756 3.210 409 HG13 VAL 50 3HG1 VAL 50 -14.303 2.004 1.804 410 HG21 VAL 50 1HG2 VAL 50 -11.896 1.814 2.658 411 HG22 VAL 50 2HG2 VAL 50 -12.805 2.019 4.155 412 HG23 VAL 50 3HG2 VAL 50 -11.397 3.031 3.833 413 H LYS 51 H LYS 51 -13.913 3.494 -0.472 414 HA LYS 51 HA LYS 51 -12.763 0.949 -1.042 415 HB2 LYS 51 2HB LYS 51 -15.167 1.795 -1.497 416 HB3 LYS 51 1HB LYS 51 -14.487 2.485 -2.964 417 HG2 LYS 51 2HG LYS 51 -13.643 0.177 -3.520 418 HG3 LYS 51 1HG LYS 51 -14.629 -0.411 -2.180 419 HD2 LYS 51 2HD LYS 51 -16.031 1.355 -4.062 420 HD3 LYS 51 1HD LYS 51 -15.489 -0.177 -4.749 421 HE2 LYS 51 2HE LYS 51 -16.761 -0.381 -2.109 422 HE3 LYS 51 1HE LYS 51 -17.822 0.179 -3.400 423 HZ1 LYS 51 1HZ LYS 51 -17.725 -2.290 -3.051 424 HZ2 LYS 51 2HZ LYS 51 -16.143 -2.249 -3.650 425 HZ3 LYS 51 3HZ LYS 51 -17.433 -1.772 -4.635 426 H LYS 52 H LYS 52 -12.262 4.189 -2.240 427 HA LYS 52 HA LYS 52 -10.913 3.505 -4.634 428 HB2 LYS 52 2HB LYS 52 -11.791 5.719 -4.401 429 HB3 LYS 52 1HB LYS 52 -10.882 5.990 -2.922 430 HG2 LYS 52 2HG LYS 52 -8.841 6.161 -4.086 431 HG3 LYS 52 1HG LYS 52 -9.546 5.511 -5.568 432 HD2 LYS 52 2HD LYS 52 -10.618 8.035 -4.370 433 HD3 LYS 52 1HD LYS 52 -9.151 8.071 -5.351 434 HE2 LYS 52 2HE LYS 52 -10.503 6.800 -7.104 435 HE3 LYS 52 1HE LYS 52 -11.923 7.240 -6.157 436 HZ1 LYS 52 1HZ LYS 52 -11.790 9.383 -6.789 437 HZ2 LYS 52 2HZ LYS 52 -10.956 8.743 -8.113 438 HZ3 LYS 52 3HZ LYS 52 -10.099 9.406 -6.815 439 H VAL 53 H VAL 53 -9.616 4.645 -1.509 440 HA VAL 53 HA VAL 53 -6.916 4.256 -2.131 441 HB VAL 53 HB VAL 53 -8.175 4.065 0.612 442 HG11 VAL 53 1HG1 VAL 53 -5.836 5.101 1.153 443 HG12 VAL 53 2HG1 VAL 53 -5.373 4.352 -0.376 444 HG13 VAL 53 3HG1 VAL 53 -6.008 3.359 0.937 445 HG21 VAL 53 1HG2 VAL 53 -8.310 6.321 0.734 446 HG22 VAL 53 2HG2 VAL 53 -8.467 6.178 -1.017 447 HG23 VAL 53 3HG2 VAL 53 -6.904 6.571 -0.300 448 H GLU 54 H GLU 54 -9.380 2.003 -1.183 449 HA GLU 54 HA GLU 54 -7.720 -0.071 -0.220 450 HB2 GLU 54 2HB GLU 54 -10.266 0.166 -0.007 451 HB3 GLU 54 1HB GLU 54 -10.346 -0.499 -1.633 452 HG2 GLU 54 2HG GLU 54 -10.698 -2.239 -0.004 453 HG3 GLU 54 1HG GLU 54 -9.179 -2.509 -0.858 454 H GLU 55 H GLU 55 -8.835 0.833 -3.426 455 HA GLU 55 HA GLU 55 -7.832 -1.497 -4.738 456 HB2 GLU 55 2HB GLU 55 -9.653 -0.146 -5.686 457 HB3 GLU 55 1HB GLU 55 -8.557 1.217 -5.863 458 HG2 GLU 55 2HG GLU 55 -8.325 0.458 -7.951 459 HG3 GLU 55 1HG GLU 55 -7.207 -0.691 -7.219 460 H GLU 56 H GLU 56 -6.515 1.577 -3.807 461 HA GLU 56 HA GLU 56 -4.266 1.580 -5.544 462 HB2 GLU 56 2HB GLU 56 -5.000 3.046 -3.031 463 HB3 GLU 56 1HB GLU 56 -3.379 3.188 -3.692 464 HG2 GLU 56 2HG GLU 56 -4.310 4.004 -5.798 465 HG3 GLU 56 1HG GLU 56 -5.934 3.865 -5.128 466 H VAL 57 H VAL 57 -4.953 0.120 -2.460 467 HA VAL 57 HA VAL 57 -2.191 -0.506 -1.888 468 HB VAL 57 HB VAL 57 -4.655 -1.595 -0.525 469 HG11 VAL 57 1HG1 VAL 57 -3.198 -2.079 1.317 470 HG12 VAL 57 2HG1 VAL 57 -1.842 -1.287 0.512 471 HG13 VAL 57 3HG1 VAL 57 -2.503 -2.785 -0.142 472 HG21 VAL 57 1HG2 VAL 57 -3.957 1.062 -0.650 473 HG22 VAL 57 2HG2 VAL 57 -3.209 0.526 0.855 474 HG23 VAL 57 3HG2 VAL 57 -4.941 0.312 0.606 475 H LYS 58 H LYS 58 -4.889 -1.991 -3.463 476 HA LYS 58 HA LYS 58 -3.933 -4.679 -3.306 477 HB2 LYS 58 2HB LYS 58 -6.246 -3.296 -4.356 478 HB3 LYS 58 1HB LYS 58 -5.659 -4.497 -5.499 479 HG2 LYS 58 2HG LYS 58 -7.203 -5.658 -4.213 480 HG3 LYS 58 1HG LYS 58 -5.650 -6.108 -3.507 481 HD2 LYS 58 2HD LYS 58 -5.956 -4.569 -1.696 482 HD3 LYS 58 1HD LYS 58 -7.401 -3.893 -2.452 483 HE2 LYS 58 2HE LYS 58 -8.655 -5.839 -2.045 484 HE3 LYS 58 1HE LYS 58 -7.212 -6.795 -1.702 485 HZ1 LYS 58 1HZ LYS 58 -8.768 -5.786 0.189 486 HZ2 LYS 58 2HZ LYS 58 -7.678 -4.502 0.027 487 HZ3 LYS 58 3HZ LYS 58 -7.112 -6.050 0.409 488 H LYS 59 H LYS 59 -3.437 -2.008 -5.490 489 HA LYS 59 HA LYS 59 -2.435 -3.590 -7.656 490 HB2 LYS 59 2HB LYS 59 -3.403 -1.392 -8.066 491 HB3 LYS 59 1HB LYS 59 -2.163 -0.634 -7.076 492 HG2 LYS 59 2HG LYS 59 -1.172 -2.277 -9.308 493 HG3 LYS 59 1HG LYS 59 -2.056 -0.818 -9.761 494 HD2 LYS 59 2HD LYS 59 0.220 -0.842 -7.785 495 HD3 LYS 59 1HD LYS 59 0.431 -0.533 -9.509 496 HE2 LYS 59 2HE LYS 59 -1.677 1.123 -8.580 497 HE3 LYS 59 1HE LYS 59 -0.334 1.277 -7.448 498 HZ1 LYS 59 1HZ LYS 59 0.950 1.430 -9.775 499 HZ2 LYS 59 2HZ LYS 59 0.366 2.782 -8.944 500 HZ3 LYS 59 3HZ LYS 59 -0.529 2.121 -10.217 501 H LEU 60 H LEU 60 -0.939 -1.804 -4.985 502 HA LEU 60 HA LEU 60 1.728 -2.286 -5.938 503 HB2 LEU 60 2HB LEU 60 0.906 -0.370 -4.420 504 HB3 LEU 60 1HB LEU 60 1.034 -1.535 -3.115 505 HG LEU 60 HG LEU 60 3.443 -1.475 -4.727 506 HD11 LEU 60 1HD1 LEU 60 2.708 1.076 -3.315 507 HD12 LEU 60 2HD1 LEU 60 2.744 0.858 -5.065 508 HD13 LEU 60 3HD1 LEU 60 4.229 0.710 -4.129 509 HD21 LEU 60 1HD2 LEU 60 2.884 -0.960 -1.812 510 HD22 LEU 60 2HD2 LEU 60 4.482 -1.184 -2.524 511 HD23 LEU 60 3HD2 LEU 60 3.316 -2.507 -2.540 512 H GLU 61 H GLU 61 -0.519 -3.993 -3.937 513 HA GLU 61 HA GLU 61 1.347 -5.593 -2.528 514 HB2 GLU 61 2HB GLU 61 -1.359 -5.192 -2.403 515 HB3 GLU 61 1HB GLU 61 -1.271 -6.797 -3.108 516 HG2 GLU 61 2HG GLU 61 0.519 -7.005 -1.077 517 HG3 GLU 61 1HG GLU 61 -0.664 -5.888 -0.399 518 H GLU 62 H GLU 62 -0.715 -6.283 -5.340 519 HA GLU 62 HA GLU 62 0.386 -8.804 -5.922 520 HB2 GLU 62 2HB GLU 62 -1.768 -7.441 -6.793 521 HB3 GLU 62 1HB GLU 62 -0.690 -7.177 -8.156 522 HG2 GLU 62 2HG GLU 62 -0.397 -9.601 -8.374 523 HG3 GLU 62 1HG GLU 62 -1.507 -9.843 -7.025 524 H GLU 63 H GLU 63 1.400 -5.571 -6.665 525 HA GLU 63 HA GLU 63 3.034 -6.047 -8.885 526 HB2 GLU 63 2HB GLU 63 2.728 -3.927 -6.862 527 HB3 GLU 63 1HB GLU 63 4.319 -4.010 -7.599 528 HG2 GLU 63 2HG GLU 63 2.681 -4.201 -9.771 529 HG3 GLU 63 1HG GLU 63 1.774 -3.120 -8.713 530 H ILE 64 H ILE 64 3.881 -5.957 -5.428 531 HA ILE 64 HA ILE 64 6.589 -6.581 -5.699 532 HB ILE 64 HB ILE 64 4.809 -7.355 -3.383 533 HG12 ILE 64 2HG1 ILE 64 6.234 -4.749 -3.963 534 HG13 ILE 64 1HG1 ILE 64 4.496 -4.990 -3.868 535 HG21 ILE 64 1HG2 ILE 64 6.658 -7.893 -2.247 536 HG22 ILE 64 2HG2 ILE 64 7.543 -6.491 -2.846 537 HG23 ILE 64 3HG2 ILE 64 7.449 -7.956 -3.821 538 HD11 ILE 64 1HD1 ILE 64 5.628 -3.920 -1.873 539 HD12 ILE 64 2HD1 ILE 64 6.299 -5.515 -1.532 540 HD13 ILE 64 3HD1 ILE 64 4.551 -5.277 -1.545 541 H LYS 65 H LYS 65 3.759 -8.575 -5.893 542 HA LYS 65 HA LYS 65 4.881 -11.079 -5.311 543 HB2 LYS 65 2HB LYS 65 2.392 -10.095 -6.182 544 HB3 LYS 65 1HB LYS 65 2.888 -11.274 -7.389 545 HG2 LYS 65 2HG LYS 65 1.589 -12.408 -5.757 546 HG3 LYS 65 1HG LYS 65 3.270 -12.901 -5.537 547 HD2 LYS 65 2HD LYS 65 2.868 -12.430 -3.371 548 HD3 LYS 65 1HD LYS 65 3.146 -10.764 -3.878 549 HE2 LYS 65 2HE LYS 65 1.014 -10.193 -3.529 550 HE3 LYS 65 1HE LYS 65 0.408 -11.642 -4.330 551 HZ1 LYS 65 1HZ LYS 65 -0.201 -11.519 -1.967 552 HZ2 LYS 65 2HZ LYS 65 1.436 -11.562 -1.546 553 HZ3 LYS 65 3HZ LYS 65 0.728 -12.888 -2.319 554 H LYS 66 H LYS 66 4.863 -9.146 -8.240 555 HA LYS 66 HA LYS 66 5.725 -11.109 -10.051 556 HB2 LYS 66 2HB LYS 66 5.650 -8.155 -9.976 557 HB3 LYS 66 1HB LYS 66 6.834 -8.853 -11.072 558 HG2 LYS 66 2HG LYS 66 4.323 -10.205 -11.365 559 HG3 LYS 66 1HG LYS 66 4.094 -8.461 -11.514 560 HD2 LYS 66 2HD LYS 66 4.660 -8.868 -13.668 561 HD3 LYS 66 1HD LYS 66 6.298 -8.757 -13.021 562 HE2 LYS 66 2HE LYS 66 6.562 -11.081 -12.978 563 HE3 LYS 66 1HE LYS 66 4.827 -11.370 -13.105 564 HZ1 LYS 66 1HZ LYS 66 6.212 -11.758 -15.171 565 HZ2 LYS 66 2HZ LYS 66 6.359 -10.077 -15.281 566 HZ3 LYS 66 3HZ LYS 66 4.832 -10.799 -15.359 567 H LEU 67 H LEU 67 7.712 -8.523 -8.600 568 HA LEU 67 HA LEU 67 10.185 -9.512 -9.343 569 HB2 LEU 67 2HB LEU 67 11.025 -8.197 -7.356 570 HB3 LEU 67 1HB LEU 67 10.084 -7.308 -8.533 571 HG LEU 67 HG LEU 67 8.110 -7.926 -6.849 572 HD11 LEU 67 1HD1 LEU 67 9.239 -7.467 -4.526 573 HD12 LEU 67 2HD1 LEU 67 10.628 -8.232 -5.298 574 HD13 LEU 67 3HD1 LEU 67 9.103 -9.107 -5.162 575 HD21 LEU 67 1HD2 LEU 67 8.293 -5.697 -7.246 576 HD22 LEU 67 2HD2 LEU 67 10.033 -5.676 -6.970 577 HD23 LEU 67 3HD2 LEU 67 8.924 -5.729 -5.601 578 H6 HTS 101 H6 HTS 68 7.865 3.348 3.657 579 H3 HTS 101 H3 HTS 68 7.800 -0.789 0.977 580 H4 HTS 101 H4 HTS 68 9.939 0.342 1.444 581 H5 HTS 101 H5 HTS 68 9.970 2.407 2.791 582 HO1 HTS 101 HO1 HTS 68 5.084 2.901 2.632 Start of MODEL 23 1 H1 GLY 1 1H GLY 1 -13.886 -6.505 13.769 2 H2 GLY 1 2H GLY 1 -15.307 -5.841 13.138 3 H3 GLY 1 3H GLY 1 -15.380 -6.887 14.466 4 HA2 GLY 1 1HA GLY 1 -15.604 -4.876 15.509 5 HA3 GLY 1 2HA GLY 1 -13.871 -5.153 15.610 6 H SER 2 H SER 2 -12.628 -4.294 13.640 7 HA SER 2 HA SER 2 -13.734 -1.662 12.908 8 HB2 SER 2 2HB SER 2 -10.783 -2.211 13.117 9 HB3 SER 2 1HB SER 2 -11.623 -0.662 13.166 10 HG SER 2 HG SER 2 -12.506 -1.339 15.198 11 H ARG 3 H ARG 3 -13.333 -0.882 10.828 12 HA ARG 3 HA ARG 3 -12.535 -2.954 8.899 13 HB2 ARG 3 2HB ARG 3 -14.884 -1.874 8.865 14 HB3 ARG 3 1HB ARG 3 -14.069 -0.464 8.202 15 HG2 ARG 3 2HG ARG 3 -13.570 -3.093 6.919 16 HG3 ARG 3 1HG ARG 3 -15.133 -2.314 6.657 17 HD2 ARG 3 2HD ARG 3 -12.475 -0.968 6.201 18 HD3 ARG 3 1HD ARG 3 -13.398 -1.778 4.937 19 HE ARG 3 HE ARG 3 -13.932 0.796 6.096 20 HH11 ARG 3 1HH1 ARG 3 -15.325 -1.930 4.420 21 HH12 ARG 3 2HH1 ARG 3 -16.642 -1.015 3.767 22 HH21 ARG 3 1HH2 ARG 3 -15.664 2.001 5.238 23 HH22 ARG 3 2HH2 ARG 3 -16.835 1.217 4.230 24 H VAL 4 H VAL 4 -12.517 0.610 9.118 25 HA VAL 4 HA VAL 4 -10.503 1.015 7.219 26 HB VAL 4 HB VAL 4 -11.052 2.811 9.583 27 HG11 VAL 4 1HG1 VAL 4 -9.108 3.043 7.727 28 HG12 VAL 4 2HG1 VAL 4 -9.879 4.416 8.523 29 HG13 VAL 4 3HG1 VAL 4 -10.421 3.905 6.924 30 HG21 VAL 4 1HG2 VAL 4 -12.503 3.899 7.598 31 HG22 VAL 4 2HG2 VAL 4 -13.168 2.779 8.787 32 HG23 VAL 4 3HG2 VAL 4 -12.677 2.191 7.199 33 H LYS 5 H LYS 5 -10.329 0.461 10.697 34 HA LYS 5 HA LYS 5 -7.648 1.110 11.122 35 HB2 LYS 5 2HB LYS 5 -9.666 -0.573 12.493 36 HB3 LYS 5 1HB LYS 5 -7.984 -0.896 12.892 37 HG2 LYS 5 2HG LYS 5 -9.314 1.799 13.080 38 HG3 LYS 5 1HG LYS 5 -9.053 0.695 14.433 39 HD2 LYS 5 2HD LYS 5 -6.649 1.259 12.854 40 HD3 LYS 5 1HD LYS 5 -7.332 2.671 13.663 41 HE2 LYS 5 2HE LYS 5 -7.266 0.339 15.390 42 HE3 LYS 5 1HE LYS 5 -5.665 0.763 14.787 43 HZ1 LYS 5 1HZ LYS 5 -5.694 2.771 15.847 44 HZ2 LYS 5 2HZ LYS 5 -6.609 1.860 16.939 45 HZ3 LYS 5 3HZ LYS 5 -7.382 2.893 15.846 46 H ALA 6 H ALA 6 -9.103 -1.656 9.619 47 HA ALA 6 HA ALA 6 -6.731 -3.292 9.734 48 HB1 ALA 6 1HB ALA 6 -9.487 -3.589 8.709 49 HB2 ALA 6 2HB ALA 6 -8.491 -4.711 9.637 50 HB3 ALA 6 3HB ALA 6 -8.239 -4.537 7.900 51 H LEU 7 H LEU 7 -8.095 -0.939 7.591 52 HA LEU 7 HA LEU 7 -6.710 -1.715 5.232 53 HB2 LEU 7 2HB LEU 7 -8.706 0.069 5.838 54 HB3 LEU 7 1HB LEU 7 -7.354 1.133 5.506 55 HG LEU 7 HG LEU 7 -8.548 -0.912 3.640 56 HD11 LEU 7 1HD1 LEU 7 -9.920 0.944 3.534 57 HD12 LEU 7 2HD1 LEU 7 -8.748 1.270 2.257 58 HD13 LEU 7 3HD1 LEU 7 -8.593 2.070 3.820 59 HD21 LEU 7 1HD2 LEU 7 -6.838 0.393 2.080 60 HD22 LEU 7 2HD2 LEU 7 -6.384 -1.068 2.959 61 HD23 LEU 7 3HD2 LEU 7 -5.952 0.518 3.600 62 H GLU 8 H GLU 8 -5.905 0.289 7.981 63 HA GLU 8 HA GLU 8 -3.564 1.419 6.724 64 HB2 GLU 8 2HB GLU 8 -4.497 1.516 9.596 65 HB3 GLU 8 1HB GLU 8 -3.157 2.442 8.932 66 HG2 GLU 8 2HG GLU 8 -4.590 3.743 7.590 67 HG3 GLU 8 1HG GLU 8 -5.952 2.657 7.862 68 H GLU 9 H GLU 9 -4.274 -1.080 9.114 69 HA GLU 9 HA GLU 9 -1.570 -1.622 9.784 70 HB2 GLU 9 2HB GLU 9 -2.410 -3.561 10.931 71 HB3 GLU 9 1HB GLU 9 -3.535 -2.236 11.195 72 HG2 GLU 9 2HG GLU 9 -4.953 -3.985 10.767 73 HG3 GLU 9 1HG GLU 9 -4.802 -3.246 9.174 74 H LYS 10 H LYS 10 -3.513 -2.442 7.089 75 HA LYS 10 HA LYS 10 -2.228 -4.862 6.340 76 HB2 LYS 10 2HB LYS 10 -4.391 -3.297 5.424 77 HB3 LYS 10 1HB LYS 10 -3.280 -3.443 4.071 78 HG2 LYS 10 2HG LYS 10 -3.282 -5.936 4.516 79 HG3 LYS 10 1HG LYS 10 -4.644 -5.639 5.597 80 HD2 LYS 10 2HD LYS 10 -4.955 -4.363 2.994 81 HD3 LYS 10 1HD LYS 10 -4.798 -6.118 2.887 82 HE2 LYS 10 2HE LYS 10 -6.663 -6.465 4.301 83 HE3 LYS 10 1HE LYS 10 -6.697 -4.771 4.789 84 HZ1 LYS 10 1HZ LYS 10 -8.428 -5.392 3.148 85 HZ2 LYS 10 2HZ LYS 10 -7.208 -5.704 2.019 86 HZ3 LYS 10 3HZ LYS 10 -7.419 -4.139 2.623 87 H VAL 11 H VAL 11 -1.964 -1.548 5.062 88 HA VAL 11 HA VAL 11 0.162 -2.079 3.303 89 HB VAL 11 HB VAL 11 -0.415 0.576 4.618 90 HG11 VAL 11 1HG1 VAL 11 0.437 0.508 1.824 91 HG12 VAL 11 2HG1 VAL 11 1.638 -0.124 2.949 92 HG13 VAL 11 3HG1 VAL 11 1.006 1.509 3.160 93 HG21 VAL 11 1HG2 VAL 11 -2.255 0.864 3.376 94 HG22 VAL 11 2HG2 VAL 11 -2.245 -0.891 3.204 95 HG23 VAL 11 3HG2 VAL 11 -1.524 0.122 1.954 96 H LYS 12 H LYS 12 0.097 -1.374 6.692 97 HA LYS 12 HA LYS 12 2.728 -0.526 7.095 98 HB2 LYS 12 2HB LYS 12 0.990 -0.398 8.829 99 HB3 LYS 12 1HB LYS 12 0.974 -2.153 8.948 100 HG2 LYS 12 2HG LYS 12 3.607 -0.909 9.321 101 HG3 LYS 12 1HG LYS 12 2.406 -0.517 10.553 102 HD2 LYS 12 2HD LYS 12 2.016 -3.173 10.347 103 HD3 LYS 12 1HD LYS 12 3.731 -3.082 9.939 104 HE2 LYS 12 2HE LYS 12 4.331 -2.492 12.032 105 HE3 LYS 12 1HE LYS 12 2.902 -1.486 12.267 106 HZ1 LYS 12 1HZ LYS 12 2.712 -3.288 13.748 107 HZ2 LYS 12 2HZ LYS 12 3.117 -4.425 12.563 108 HZ3 LYS 12 3HZ LYS 12 1.630 -3.622 12.490 109 H ALA 13 H ALA 13 1.350 -3.743 6.788 110 HA ALA 13 HA ALA 13 3.838 -5.080 7.405 111 HB1 ALA 13 1HB ALA 13 1.728 -6.571 5.979 112 HB2 ALA 13 2HB ALA 13 1.264 -5.885 7.536 113 HB3 ALA 13 3HB ALA 13 2.632 -6.994 7.434 114 H LEU 14 H LEU 14 2.234 -3.765 4.691 115 HA LEU 14 HA LEU 14 3.454 -5.210 2.600 116 HB2 LEU 14 2HB LEU 14 1.398 -3.615 2.665 117 HB3 LEU 14 1HB LEU 14 2.574 -2.350 2.383 118 HG LEU 14 HG LEU 14 2.239 -4.745 0.577 119 HD11 LEU 14 1HD1 LEU 14 0.560 -3.762 -0.524 120 HD12 LEU 14 2HD1 LEU 14 1.277 -2.158 -0.382 121 HD13 LEU 14 3HD1 LEU 14 0.336 -2.824 0.953 122 HD21 LEU 14 1HD2 LEU 14 4.302 -3.888 0.060 123 HD22 LEU 14 2HD2 LEU 14 3.852 -2.241 0.504 124 HD23 LEU 14 3HD2 LEU 14 3.271 -2.938 -1.007 125 H GLU 15 H GLU 15 4.519 -2.618 4.633 126 HA GLU 15 HA GLU 15 6.623 -1.709 2.907 127 HB2 GLU 15 2HB GLU 15 5.658 -0.115 4.404 128 HB3 GLU 15 1HB GLU 15 5.928 -1.158 5.791 129 HG2 GLU 15 2HG GLU 15 8.337 -0.861 5.549 130 HG3 GLU 15 1HG GLU 15 8.072 0.172 4.146 131 H GLU 16 H GLU 16 6.546 -3.491 6.000 132 HA GLU 16 HA GLU 16 9.217 -3.934 6.380 133 HB2 GLU 16 2HB GLU 16 8.574 -6.039 7.537 134 HB3 GLU 16 1HB GLU 16 7.601 -4.654 8.012 135 HG2 GLU 16 2HG GLU 16 5.723 -5.428 6.896 136 HG3 GLU 16 1HG GLU 16 6.660 -6.511 5.868 137 H LYS 17 H LYS 17 7.134 -5.441 4.023 138 HA LYS 17 HA LYS 17 8.967 -7.534 3.332 139 HB2 LYS 17 2HB LYS 17 6.394 -7.434 2.984 140 HB3 LYS 17 1HB LYS 17 6.787 -6.538 1.523 141 HG2 LYS 17 2HG LYS 17 8.400 -8.595 1.127 142 HG3 LYS 17 1HG LYS 17 7.229 -9.396 2.178 143 HD2 LYS 17 2HD LYS 17 5.420 -8.763 0.687 144 HD3 LYS 17 1HD LYS 17 6.549 -7.875 -0.337 145 HE2 LYS 17 2HE LYS 17 6.362 -10.843 0.099 146 HE3 LYS 17 1HE LYS 17 6.190 -9.947 -1.411 147 HZ1 LYS 17 1HZ LYS 17 8.633 -10.627 0.076 148 HZ2 LYS 17 2HZ LYS 17 8.619 -9.245 -0.899 149 HZ3 LYS 17 3HZ LYS 17 8.312 -10.763 -1.580 150 H VAL 18 H VAL 18 8.234 -4.314 2.117 151 HA VAL 18 HA VAL 18 9.926 -4.547 -0.191 152 HB VAL 18 HB VAL 18 8.860 -2.030 1.059 153 HG11 VAL 18 1HG1 VAL 18 9.753 -2.639 -1.756 154 HG12 VAL 18 2HG1 VAL 18 10.644 -1.683 -0.570 155 HG13 VAL 18 3HG1 VAL 18 9.098 -1.102 -1.189 156 HG21 VAL 18 1HG2 VAL 18 6.868 -2.257 -0.081 157 HG22 VAL 18 2HG2 VAL 18 7.188 -3.921 0.402 158 HG23 VAL 18 3HG2 VAL 18 7.543 -3.398 -1.243 159 H LYS 19 H LYS 19 10.121 -2.653 2.821 160 HA LYS 19 HA LYS 19 12.581 -1.492 2.459 161 HB2 LYS 19 2HB LYS 19 11.310 -2.499 5.005 162 HB3 LYS 19 1HB LYS 19 12.753 -1.494 4.970 163 HG2 LYS 19 2HG LYS 19 11.211 0.063 3.504 164 HG3 LYS 19 1HG LYS 19 9.935 -0.793 4.368 165 HD2 LYS 19 2HD LYS 19 10.247 0.787 5.940 166 HD3 LYS 19 1HD LYS 19 11.638 -0.196 6.400 167 HE2 LYS 19 2HE LYS 19 12.954 1.541 5.975 168 HE3 LYS 19 1HE LYS 19 12.491 1.441 4.277 169 HZ1 LYS 19 1HZ LYS 19 12.065 3.638 5.113 170 HZ2 LYS 19 2HZ LYS 19 11.129 3.032 6.383 171 HZ3 LYS 19 3HZ LYS 19 10.587 2.882 4.787 172 H ALA 20 H ALA 20 11.861 -4.798 3.302 173 HA ALA 20 HA ALA 20 14.643 -5.388 3.929 174 HB1 ALA 20 1HB ALA 20 13.831 -7.653 4.411 175 HB2 ALA 20 2HB ALA 20 12.220 -7.183 3.868 176 HB3 ALA 20 3HB ALA 20 12.926 -6.426 5.296 177 H LEU 21 H LEU 21 12.660 -5.291 1.194 178 HA LEU 21 HA LEU 21 13.620 -7.469 -0.298 179 HB2 LEU 21 2HB LEU 21 11.729 -5.534 -0.656 180 HB3 LEU 21 1HB LEU 21 12.960 -5.027 -1.796 181 HG LEU 21 HG LEU 21 11.719 -7.777 -1.744 182 HD11 LEU 21 1HD1 LEU 21 10.389 -5.547 -2.437 183 HD12 LEU 21 2HD1 LEU 21 10.131 -7.117 -3.198 184 HD13 LEU 21 3HD1 LEU 21 11.178 -5.925 -3.969 185 HD21 LEU 21 1HD2 LEU 21 13.715 -6.416 -3.517 186 HD22 LEU 21 2HD2 LEU 21 12.711 -7.738 -4.116 187 HD23 LEU 21 3HD2 LEU 21 13.804 -8.005 -2.757 188 H GLY 22 H GLY 22 14.500 -4.019 -0.593 189 HA2 GLY 22 2HA GLY 22 17.052 -3.751 -0.440 190 HA3 GLY 22 1HA GLY 22 17.051 -4.872 -1.793 191 H GLY 23 H GLY 23 16.499 -4.156 -3.834 192 HA2 GLY 23 2HA GLY 23 15.224 -1.773 -4.488 193 HA3 GLY 23 1HA GLY 23 16.938 -1.406 -4.365 194 H GLY 24 H GLY 24 15.984 -0.917 -6.741 195 HA2 GLY 24 2HA GLY 24 17.461 -2.106 -8.608 196 HA3 GLY 24 1HA GLY 24 16.162 -3.277 -8.438 197 H GLY 25 H GLY 25 14.501 -3.044 -9.776 198 HA2 GLY 25 2HA GLY 25 14.071 -0.379 -10.981 199 HA3 GLY 25 1HA GLY 25 13.795 -1.893 -11.828 200 H ARG 26 H ARG 26 12.112 -3.339 -10.827 201 HA ARG 26 HA ARG 26 9.660 -2.031 -10.712 202 HB2 ARG 26 2HB ARG 26 8.683 -4.130 -10.212 203 HB3 ARG 26 1HB ARG 26 10.084 -4.479 -11.214 204 HG2 ARG 26 2HG ARG 26 10.050 -4.678 -8.210 205 HG3 ARG 26 1HG ARG 26 9.799 -6.035 -9.308 206 HD2 ARG 26 2HD ARG 26 12.059 -5.289 -10.340 207 HD3 ARG 26 1HD ARG 26 12.271 -4.422 -8.822 208 HE ARG 26 HE ARG 26 12.557 -6.432 -7.729 209 HH11 ARG 26 1HH1 ARG 26 11.482 -7.015 -11.001 210 HH12 ARG 26 2HH1 ARG 26 11.829 -8.710 -10.942 211 HH21 ARG 26 1HH2 ARG 26 13.011 -8.660 -7.656 212 HH22 ARG 26 2HH2 ARG 26 12.695 -9.644 -9.045 213 H ILE 27 H ILE 27 11.947 -2.723 -8.194 214 HA ILE 27 HA ILE 27 10.202 -2.452 -5.987 215 HB ILE 27 HB ILE 27 13.178 -1.948 -6.068 216 HG12 ILE 27 2HG1 ILE 27 11.822 -4.494 -5.202 217 HG13 ILE 27 1HG1 ILE 27 12.280 -4.226 -6.881 218 HG21 ILE 27 1HG2 ILE 27 11.170 -2.039 -3.911 219 HG22 ILE 27 2HG2 ILE 27 12.710 -1.184 -3.996 220 HG23 ILE 27 3HG2 ILE 27 12.677 -2.902 -3.603 221 HD11 ILE 27 1HD1 ILE 27 14.540 -4.276 -6.406 222 HD12 ILE 27 2HD1 ILE 27 13.881 -5.506 -5.325 223 HD13 ILE 27 3HD1 ILE 27 14.292 -3.909 -4.699 224 H GLU 28 H GLU 28 11.922 -0.159 -7.974 225 HA GLU 28 HA GLU 28 11.860 2.051 -6.233 226 HB2 GLU 28 2HB GLU 28 12.141 1.709 -9.191 227 HB3 GLU 28 1HB GLU 28 11.892 3.321 -8.536 228 HG2 GLU 28 2HG GLU 28 13.859 2.758 -6.977 229 HG3 GLU 28 1HG GLU 28 14.190 1.457 -8.120 230 H GLU 29 H GLU 29 9.685 1.289 -8.970 231 HA GLU 29 HA GLU 29 7.902 3.396 -8.574 232 HB2 GLU 29 2HB GLU 29 7.867 2.114 -10.618 233 HB3 GLU 29 1HB GLU 29 7.439 0.649 -9.746 234 HG2 GLU 29 2HG GLU 29 5.293 1.094 -10.026 235 HG3 GLU 29 1HG GLU 29 5.484 2.613 -9.151 236 H LEU 30 H LEU 30 8.032 0.218 -7.093 237 HA LEU 30 HA LEU 30 5.494 0.359 -5.834 238 HB2 LEU 30 2HB LEU 30 7.909 -1.311 -5.149 239 HB3 LEU 30 1HB LEU 30 6.298 -1.551 -4.499 240 HG LEU 30 HG LEU 30 6.942 -1.730 -7.438 241 HD11 LEU 30 1HD1 LEU 30 6.354 -4.173 -5.899 242 HD12 LEU 30 2HD1 LEU 30 7.942 -3.452 -5.636 243 HD13 LEU 30 3HD1 LEU 30 7.445 -3.920 -7.262 244 HD21 LEU 30 1HD2 LEU 30 4.592 -2.903 -5.996 245 HD22 LEU 30 2HD2 LEU 30 4.790 -2.584 -7.719 246 HD23 LEU 30 3HD2 LEU 30 4.572 -1.244 -6.593 247 H LYS 31 H LYS 31 8.565 1.708 -5.075 248 HA LYS 31 HA LYS 31 8.166 1.937 -2.252 249 HB2 LYS 31 2HB LYS 31 10.396 1.923 -3.403 250 HB3 LYS 31 1HB LYS 31 10.039 3.539 -3.998 251 HG2 LYS 31 2HG LYS 31 10.780 4.429 -2.117 252 HG3 LYS 31 1HG LYS 31 9.617 3.487 -1.181 253 HD2 LYS 31 2HD LYS 31 11.158 1.634 -1.051 254 HD3 LYS 31 1HD LYS 31 12.296 2.461 -2.117 255 HE2 LYS 31 2HE LYS 31 11.595 4.113 0.146 256 HE3 LYS 31 1HE LYS 31 12.219 2.551 0.672 257 HZ1 LYS 31 1HZ LYS 31 13.564 4.464 -1.157 258 HZ2 LYS 31 2HZ LYS 31 14.150 2.922 -0.783 259 HZ3 LYS 31 3HZ LYS 31 14.019 4.094 0.430 260 H LYS 32 H LYS 32 8.233 4.416 -4.824 261 HA LYS 32 HA LYS 32 7.443 6.588 -3.349 262 HB2 LYS 32 2HB LYS 32 7.862 6.047 -6.033 263 HB3 LYS 32 1HB LYS 32 6.183 6.565 -5.978 264 HG2 LYS 32 2HG LYS 32 7.794 8.313 -4.375 265 HG3 LYS 32 1HG LYS 32 8.480 8.169 -5.994 266 HD2 LYS 32 2HD LYS 32 5.542 8.601 -5.689 267 HD3 LYS 32 1HD LYS 32 6.640 9.966 -5.474 268 HE2 LYS 32 2HE LYS 32 7.234 10.009 -7.666 269 HE3 LYS 32 1HE LYS 32 7.069 8.263 -7.857 270 HZ1 LYS 32 1HZ LYS 32 5.243 8.871 -8.996 271 HZ2 LYS 32 2HZ LYS 32 5.095 10.363 -8.213 272 HZ3 LYS 32 3HZ LYS 32 4.535 8.955 -7.461 273 H LYS 33 H LYS 33 5.280 4.388 -5.128 274 HA LYS 33 HA LYS 33 2.894 5.642 -4.278 275 HB2 LYS 33 2HB LYS 33 3.481 3.827 -6.184 276 HB3 LYS 33 1HB LYS 33 2.785 2.771 -4.964 277 HG2 LYS 33 2HG LYS 33 0.887 4.585 -4.936 278 HG3 LYS 33 1HG LYS 33 1.509 4.933 -6.550 279 HD2 LYS 33 2HD LYS 33 -0.215 3.347 -6.851 280 HD3 LYS 33 1HD LYS 33 1.298 2.452 -7.019 281 HE2 LYS 33 2HE LYS 33 1.054 1.892 -4.549 282 HE3 LYS 33 1HE LYS 33 -0.596 2.499 -4.683 283 HZ1 LYS 33 1HZ LYS 33 -0.841 0.866 -6.576 284 HZ2 LYS 33 2HZ LYS 33 -0.734 0.201 -5.026 285 HZ3 LYS 33 3HZ LYS 33 0.610 0.170 -6.052 286 H CYS 34 H CYS 34 4.940 3.281 -2.777 287 HA CYS 34 HA CYS 34 3.112 2.010 -1.077 288 HB2 CYS 34 2HB CYS 34 5.880 1.988 -1.490 289 HB3 CYS 34 1HB CYS 34 5.686 2.427 0.196 290 H GLU 35 H GLU 35 5.308 4.709 -0.266 291 HA GLU 35 HA GLU 35 4.169 5.143 2.277 292 HB2 GLU 35 2HB GLU 35 5.424 7.345 2.157 293 HB3 GLU 35 1HB GLU 35 6.383 5.881 1.997 294 HG2 GLU 35 2HG GLU 35 7.109 6.472 -0.007 295 HG3 GLU 35 1HG GLU 35 5.473 6.812 -0.566 296 H GLU 36 H GLU 36 3.868 7.067 -0.717 297 HA GLU 36 HA GLU 36 2.173 9.021 0.159 298 HB2 GLU 36 2HB GLU 36 3.187 8.784 -2.141 299 HB3 GLU 36 1HB GLU 36 1.888 7.661 -2.520 300 HG2 GLU 36 2HG GLU 36 0.332 9.292 -2.676 301 HG3 GLU 36 1HG GLU 36 1.088 10.286 -1.431 302 H LEU 37 H LEU 37 1.464 5.690 -0.442 303 HA LEU 37 HA LEU 37 -1.359 5.883 -0.587 304 HB2 LEU 37 2HB LEU 37 -0.367 3.951 -1.497 305 HB3 LEU 37 1HB LEU 37 0.576 3.649 -0.055 306 HG LEU 37 HG LEU 37 -1.328 2.846 1.133 307 HD11 LEU 37 1HD1 LEU 37 -3.544 3.029 0.477 308 HD12 LEU 37 2HD1 LEU 37 -3.126 3.318 -1.212 309 HD13 LEU 37 3HD1 LEU 37 -2.871 4.583 -0.012 310 HD21 LEU 37 1HD2 LEU 37 -1.453 0.849 0.101 311 HD22 LEU 37 2HD2 LEU 37 -0.238 1.554 -0.964 312 HD23 LEU 37 3HD2 LEU 37 -1.936 1.555 -1.442 313 H LYS 38 H LYS 38 0.911 5.309 2.058 314 HA LYS 38 HA LYS 38 -0.968 4.673 4.044 315 HB2 LYS 38 2HB LYS 38 1.858 5.280 3.905 316 HB3 LYS 38 1HB LYS 38 1.133 6.006 5.333 317 HG2 LYS 38 2HG LYS 38 0.882 4.036 6.351 318 HG3 LYS 38 1HG LYS 38 0.307 3.243 4.884 319 HD2 LYS 38 2HD LYS 38 2.469 2.748 4.160 320 HD3 LYS 38 1HD LYS 38 3.199 3.959 5.216 321 HE2 LYS 38 2HE LYS 38 1.710 1.929 6.679 322 HE3 LYS 38 1HE LYS 38 3.023 1.253 5.716 323 HZ1 LYS 38 1HZ LYS 38 3.347 2.241 8.163 324 HZ2 LYS 38 2HZ LYS 38 3.679 3.626 7.252 325 HZ3 LYS 38 3HZ LYS 38 4.577 2.214 7.002 326 H LYS 39 H LYS 39 0.676 7.795 3.488 327 HA LYS 39 HA LYS 39 -0.715 9.293 5.353 328 HB2 LYS 39 2HB LYS 39 0.007 11.252 4.132 329 HB3 LYS 39 1HB LYS 39 1.299 10.060 4.135 330 HG2 LYS 39 2HG LYS 39 0.573 9.372 1.852 331 HG3 LYS 39 1HG LYS 39 -0.557 10.727 1.864 332 HD2 LYS 39 2HD LYS 39 2.020 11.672 2.650 333 HD3 LYS 39 1HD LYS 39 2.188 10.735 1.165 334 HE2 LYS 39 2HE LYS 39 0.100 12.130 0.415 335 HE3 LYS 39 1HE LYS 39 0.647 13.240 1.671 336 HZ1 LYS 39 1HZ LYS 39 2.150 12.348 -0.725 337 HZ2 LYS 39 2HZ LYS 39 2.863 13.196 0.554 338 HZ3 LYS 39 3HZ LYS 39 1.633 13.917 -0.355 339 H LYS 40 H LYS 40 -1.698 8.245 2.175 340 HA LYS 40 HA LYS 40 -3.821 10.058 1.780 341 HB2 LYS 40 2HB LYS 40 -2.680 8.274 0.185 342 HB3 LYS 40 1HB LYS 40 -4.011 7.266 0.739 343 HG2 LYS 40 2HG LYS 40 -5.551 8.425 -0.426 344 HG3 LYS 40 1HG LYS 40 -4.745 9.972 -0.162 345 HD2 LYS 40 2HD LYS 40 -4.207 9.803 -2.340 346 HD3 LYS 40 1HD LYS 40 -2.948 8.711 -1.760 347 HE2 LYS 40 2HE LYS 40 -4.018 7.560 -3.513 348 HE3 LYS 40 1HE LYS 40 -4.648 6.846 -2.030 349 HZ1 LYS 40 1HZ LYS 40 -6.027 8.948 -3.610 350 HZ2 LYS 40 2HZ LYS 40 -6.638 8.150 -2.250 351 HZ3 LYS 40 3HZ LYS 40 -6.381 7.296 -3.686 352 H ILE 41 H ILE 41 -3.522 7.186 3.711 353 HA ILE 41 HA ILE 41 -6.336 6.742 4.029 354 HB ILE 41 HB ILE 41 -4.208 5.785 5.933 355 HG12 ILE 41 2HG1 ILE 41 -4.996 4.596 3.262 356 HG13 ILE 41 1HG1 ILE 41 -3.419 5.243 3.696 357 HG21 ILE 41 1HG2 ILE 41 -6.056 3.785 5.544 358 HG22 ILE 41 2HG2 ILE 41 -7.035 5.249 5.474 359 HG23 ILE 41 3HG2 ILE 41 -6.035 4.925 6.889 360 HD11 ILE 41 1HD1 ILE 41 -3.631 3.390 5.591 361 HD12 ILE 41 2HD1 ILE 41 -2.975 3.052 3.990 362 HD13 ILE 41 3HD1 ILE 41 -4.651 2.646 4.360 363 H GLU 42 H GLU 42 -3.894 8.631 5.653 364 HA GLU 42 HA GLU 42 -5.279 9.105 8.067 365 HB2 GLU 42 2HB GLU 42 -3.208 10.786 6.642 366 HB3 GLU 42 1HB GLU 42 -3.759 11.065 8.288 367 HG2 GLU 42 2HG GLU 42 -2.863 8.335 7.840 368 HG3 GLU 42 1HG GLU 42 -1.609 9.536 7.532 369 H GLU 43 H GLU 43 -5.121 10.914 5.020 370 HA GLU 43 HA GLU 43 -6.751 13.062 5.812 371 HB2 GLU 43 2HB GLU 43 -6.612 13.771 3.635 372 HB3 GLU 43 1HB GLU 43 -5.252 12.658 3.664 373 HG2 GLU 43 2HG GLU 43 -6.850 10.911 2.766 374 HG3 GLU 43 1HG GLU 43 -7.977 12.234 2.479 375 H LEU 44 H LEU 44 -7.478 9.926 4.415 376 HA LEU 44 HA LEU 44 -10.132 10.202 3.739 377 HB2 LEU 44 2HB LEU 44 -8.446 7.940 4.678 378 HB3 LEU 44 1HB LEU 44 -10.182 7.696 4.648 379 HG LEU 44 HG LEU 44 -8.660 8.651 2.233 380 HD11 LEU 44 1HD1 LEU 44 -7.647 6.646 2.282 381 HD12 LEU 44 2HD1 LEU 44 -9.201 6.060 1.689 382 HD13 LEU 44 3HD1 LEU 44 -8.819 5.962 3.408 383 HD21 LEU 44 1HD2 LEU 44 -11.070 9.018 2.216 384 HD22 LEU 44 2HD2 LEU 44 -11.342 7.313 2.577 385 HD23 LEU 44 3HD2 LEU 44 -10.613 7.784 1.042 386 H GLY 45 H GLY 45 -11.974 9.018 4.979 387 HA2 GLY 45 2HA GLY 45 -11.859 9.675 7.846 388 HA3 GLY 45 1HA GLY 45 -13.156 10.332 6.860 389 H GLY 46 H GLY 46 -14.556 8.748 5.742 390 HA2 GLY 46 2HA GLY 46 -14.610 6.021 6.273 391 HA3 GLY 46 1HA GLY 46 -15.496 6.799 7.577 392 H GLY 47 H GLY 47 -15.293 7.285 4.046 393 HA2 GLY 47 2HA GLY 47 -18.236 7.032 3.974 394 HA3 GLY 47 1HA GLY 47 -17.385 8.271 3.064 395 H GLY 48 H GLY 48 -17.106 7.832 0.987 396 HA2 GLY 48 2HA GLY 48 -17.175 5.008 0.146 397 HA3 GLY 48 1HA GLY 48 -17.634 6.372 -0.862 398 H GLU 49 H GLU 49 -15.222 7.879 0.123 399 HA GLU 49 HA GLU 49 -13.501 7.337 -1.997 400 HB2 GLU 49 2HB GLU 49 -13.624 9.434 -0.563 401 HB3 GLU 49 1HB GLU 49 -12.633 8.578 0.610 402 HG2 GLU 49 2HG GLU 49 -10.788 8.522 -0.808 403 HG3 GLU 49 1HG GLU 49 -11.761 8.864 -2.238 404 H VAL 50 H VAL 50 -13.697 5.897 1.160 405 HA VAL 50 HA VAL 50 -11.153 4.838 1.467 406 HB VAL 50 HB VAL 50 -13.682 3.374 2.213 407 HG11 VAL 50 1HG1 VAL 50 -12.405 2.046 3.484 408 HG12 VAL 50 2HG1 VAL 50 -11.407 3.388 4.048 409 HG13 VAL 50 3HG1 VAL 50 -11.066 2.628 2.493 410 HG21 VAL 50 1HG2 VAL 50 -14.101 5.473 3.113 411 HG22 VAL 50 2HG2 VAL 50 -12.396 5.782 3.441 412 HG23 VAL 50 3HG2 VAL 50 -13.292 4.636 4.438 413 H LYS 51 H LYS 51 -13.646 3.950 -0.760 414 HA LYS 51 HA LYS 51 -12.725 1.307 -1.306 415 HB2 LYS 51 2HB LYS 51 -15.007 2.618 -1.869 416 HB3 LYS 51 1HB LYS 51 -14.183 2.799 -3.412 417 HG2 LYS 51 2HG LYS 51 -14.168 0.521 -3.820 418 HG3 LYS 51 1HG LYS 51 -14.389 0.113 -2.118 419 HD2 LYS 51 2HD LYS 51 -16.667 0.720 -2.163 420 HD3 LYS 51 1HD LYS 51 -16.493 1.556 -3.707 421 HE2 LYS 51 2HE LYS 51 -16.008 -0.613 -4.785 422 HE3 LYS 51 1HE LYS 51 -16.285 -1.417 -3.240 423 HZ1 LYS 51 1HZ LYS 51 -18.260 0.073 -4.875 424 HZ2 LYS 51 2HZ LYS 51 -18.559 -0.423 -3.286 425 HZ3 LYS 51 3HZ LYS 51 -18.271 -1.575 -4.491 426 H LYS 52 H LYS 52 -12.037 4.489 -2.625 427 HA LYS 52 HA LYS 52 -10.642 3.623 -4.929 428 HB2 LYS 52 2HB LYS 52 -11.422 5.875 -4.871 429 HB3 LYS 52 1HB LYS 52 -10.590 6.197 -3.355 430 HG2 LYS 52 2HG LYS 52 -8.600 6.564 -4.363 431 HG3 LYS 52 1HG LYS 52 -8.907 5.392 -5.647 432 HD2 LYS 52 2HD LYS 52 -10.672 7.085 -6.467 433 HD3 LYS 52 1HD LYS 52 -9.829 8.238 -5.430 434 HE2 LYS 52 2HE LYS 52 -8.063 8.380 -6.814 435 HE3 LYS 52 1HE LYS 52 -8.077 6.652 -7.167 436 HZ1 LYS 52 1HZ LYS 52 -9.347 8.843 -8.583 437 HZ2 LYS 52 2HZ LYS 52 -10.279 7.439 -8.437 438 HZ3 LYS 52 3HZ LYS 52 -8.756 7.370 -9.171 439 H VAL 53 H VAL 53 -9.395 4.885 -1.832 440 HA VAL 53 HA VAL 53 -6.694 4.395 -2.323 441 HB VAL 53 HB VAL 53 -8.012 4.247 0.389 442 HG11 VAL 53 1HG1 VAL 53 -5.898 4.899 1.264 443 HG12 VAL 53 2HG1 VAL 53 -5.255 5.207 -0.349 444 HG13 VAL 53 3HG1 VAL 53 -5.609 3.556 0.159 445 HG21 VAL 53 1HG2 VAL 53 -8.793 6.292 -0.251 446 HG22 VAL 53 2HG2 VAL 53 -7.493 6.549 -1.414 447 HG23 VAL 53 3HG2 VAL 53 -7.190 6.767 0.309 448 H GLU 54 H GLU 54 -9.243 2.220 -1.417 449 HA GLU 54 HA GLU 54 -7.661 0.140 -0.340 450 HB2 GLU 54 2HB GLU 54 -10.436 0.444 -1.314 451 HB3 GLU 54 1HB GLU 54 -9.789 -1.192 -1.365 452 HG2 GLU 54 2HG GLU 54 -9.058 -0.355 1.132 453 HG3 GLU 54 1HG GLU 54 -10.619 0.433 0.909 454 H GLU 55 H GLU 55 -8.673 0.955 -3.608 455 HA GLU 55 HA GLU 55 -7.681 -1.434 -4.813 456 HB2 GLU 55 2HB GLU 55 -9.438 -0.078 -5.864 457 HB3 GLU 55 1HB GLU 55 -8.309 1.258 -6.042 458 HG2 GLU 55 2HG GLU 55 -7.724 0.468 -8.018 459 HG3 GLU 55 1HG GLU 55 -7.095 -0.981 -7.235 460 H GLU 56 H GLU 56 -6.309 1.634 -3.945 461 HA GLU 56 HA GLU 56 -4.012 1.502 -5.616 462 HB2 GLU 56 2HB GLU 56 -4.835 3.130 -3.246 463 HB3 GLU 56 1HB GLU 56 -3.156 3.164 -3.762 464 HG2 GLU 56 2HG GLU 56 -4.418 3.569 -6.119 465 HG3 GLU 56 1HG GLU 56 -5.542 4.338 -4.999 466 H VAL 57 H VAL 57 -4.827 0.211 -2.490 467 HA VAL 57 HA VAL 57 -2.097 -0.444 -1.803 468 HB VAL 57 HB VAL 57 -4.620 -1.422 -0.464 469 HG11 VAL 57 1HG1 VAL 57 -2.710 -2.699 0.194 470 HG12 VAL 57 2HG1 VAL 57 -3.099 -1.590 1.510 471 HG13 VAL 57 3HG1 VAL 57 -1.749 -1.239 0.431 472 HG21 VAL 57 1HG2 VAL 57 -4.957 0.579 0.451 473 HG22 VAL 57 2HG2 VAL 57 -3.773 1.229 -0.683 474 HG23 VAL 57 3HG2 VAL 57 -3.264 0.713 0.924 475 H LYS 58 H LYS 58 -4.788 -1.941 -3.375 476 HA LYS 58 HA LYS 58 -3.907 -4.642 -3.072 477 HB2 LYS 58 2HB LYS 58 -6.112 -3.220 -4.375 478 HB3 LYS 58 1HB LYS 58 -5.575 -4.649 -5.250 479 HG2 LYS 58 2HG LYS 58 -5.829 -5.941 -3.121 480 HG3 LYS 58 1HG LYS 58 -6.578 -4.506 -2.419 481 HD2 LYS 58 2HD LYS 58 -8.287 -4.561 -4.194 482 HD3 LYS 58 1HD LYS 58 -7.553 -6.033 -4.832 483 HE2 LYS 58 2HE LYS 58 -8.428 -7.327 -3.207 484 HE3 LYS 58 1HE LYS 58 -8.206 -6.095 -1.965 485 HZ1 LYS 58 1HZ LYS 58 -10.255 -5.262 -2.300 486 HZ2 LYS 58 2HZ LYS 58 -10.581 -6.804 -2.912 487 HZ3 LYS 58 3HZ LYS 58 -10.231 -5.532 -3.970 488 H LYS 59 H LYS 59 -3.302 -2.096 -5.381 489 HA LYS 59 HA LYS 59 -2.325 -3.797 -7.456 490 HB2 LYS 59 2HB LYS 59 -3.201 -1.556 -7.927 491 HB3 LYS 59 1HB LYS 59 -1.886 -0.840 -7.006 492 HG2 LYS 59 2HG LYS 59 -0.762 -2.566 -8.966 493 HG3 LYS 59 1HG LYS 59 -1.952 -1.526 -9.751 494 HD2 LYS 59 2HD LYS 59 0.063 -0.369 -7.859 495 HD3 LYS 59 1HD LYS 59 0.503 -0.709 -9.533 496 HE2 LYS 59 2HE LYS 59 -1.982 0.625 -9.593 497 HE3 LYS 59 1HE LYS 59 -0.958 1.506 -8.460 498 HZ1 LYS 59 1HZ LYS 59 0.293 0.727 -10.963 499 HZ2 LYS 59 2HZ LYS 59 0.425 2.169 -10.089 500 HZ3 LYS 59 3HZ LYS 59 -0.917 1.904 -11.083 501 H LEU 60 H LEU 60 -0.777 -1.953 -4.854 502 HA LEU 60 HA LEU 60 1.867 -2.600 -5.764 503 HB2 LEU 60 2HB LEU 60 0.978 -0.608 -4.265 504 HB3 LEU 60 1HB LEU 60 1.373 -1.721 -2.968 505 HG LEU 60 HG LEU 60 3.552 -1.611 -4.836 506 HD11 LEU 60 1HD1 LEU 60 4.215 0.720 -4.469 507 HD12 LEU 60 2HD1 LEU 60 2.646 1.038 -3.733 508 HD13 LEU 60 3HD1 LEU 60 2.748 0.580 -5.434 509 HD21 LEU 60 1HD2 LEU 60 4.055 -2.338 -2.701 510 HD22 LEU 60 2HD2 LEU 60 3.113 -1.061 -1.930 511 HD23 LEU 60 3HD2 LEU 60 4.659 -0.682 -2.692 512 H GLU 61 H GLU 61 -0.430 -4.063 -3.622 513 HA GLU 61 HA GLU 61 1.424 -5.655 -2.166 514 HB2 GLU 61 2HB GLU 61 -1.229 -5.055 -1.899 515 HB3 GLU 61 1HB GLU 61 -1.301 -6.712 -2.474 516 HG2 GLU 61 2HG GLU 61 0.502 -7.098 -0.605 517 HG3 GLU 61 1HG GLU 61 -0.204 -5.628 0.064 518 H GLU 62 H GLU 62 -0.532 -6.166 -5.056 519 HA GLU 62 HA GLU 62 0.230 -8.908 -5.371 520 HB2 GLU 62 2HB GLU 62 -1.793 -7.351 -6.350 521 HB3 GLU 62 1HB GLU 62 -0.736 -7.471 -7.750 522 HG2 GLU 62 2HG GLU 62 -0.761 -9.967 -7.402 523 HG3 GLU 62 1HG GLU 62 -2.046 -9.699 -6.224 524 H GLU 63 H GLU 63 1.501 -5.843 -6.384 525 HA GLU 63 HA GLU 63 3.043 -6.677 -8.584 526 HB2 GLU 63 2HB GLU 63 2.643 -4.291 -7.080 527 HB3 GLU 63 1HB GLU 63 4.375 -4.558 -7.210 528 HG2 GLU 63 2HG GLU 63 2.785 -4.870 -9.681 529 HG3 GLU 63 1HG GLU 63 2.962 -3.238 -9.037 530 H ILE 64 H ILE 64 4.104 -6.008 -5.252 531 HA ILE 64 HA ILE 64 6.711 -6.875 -5.442 532 HB ILE 64 HB ILE 64 4.949 -7.266 -3.020 533 HG12 ILE 64 2HG1 ILE 64 6.505 -4.814 -3.876 534 HG13 ILE 64 1HG1 ILE 64 4.753 -4.963 -3.877 535 HG21 ILE 64 1HG2 ILE 64 6.948 -8.321 -2.535 536 HG22 ILE 64 2HG2 ILE 64 7.225 -6.693 -1.916 537 HG23 ILE 64 3HG2 ILE 64 7.902 -7.172 -3.473 538 HD11 ILE 64 1HD1 ILE 64 6.435 -5.218 -1.402 539 HD12 ILE 64 2HD1 ILE 64 4.681 -5.070 -1.506 540 HD13 ILE 64 3HD1 ILE 64 5.709 -3.708 -1.949 541 H LYS 65 H LYS 65 3.786 -8.754 -5.242 542 HA LYS 65 HA LYS 65 4.864 -11.201 -4.379 543 HB2 LYS 65 2HB LYS 65 2.369 -10.263 -5.573 544 HB3 LYS 65 1HB LYS 65 2.789 -11.895 -6.075 545 HG2 LYS 65 2HG LYS 65 1.649 -12.423 -4.203 546 HG3 LYS 65 1HG LYS 65 3.220 -12.140 -3.452 547 HD2 LYS 65 2HD LYS 65 2.532 -9.798 -3.011 548 HD3 LYS 65 1HD LYS 65 0.934 -10.180 -3.657 549 HE2 LYS 65 2HE LYS 65 2.148 -11.746 -1.400 550 HE3 LYS 65 1HE LYS 65 1.246 -10.258 -1.116 551 HZ1 LYS 65 1HZ LYS 65 -0.171 -12.197 -0.906 552 HZ2 LYS 65 2HZ LYS 65 0.204 -12.681 -2.482 553 HZ3 LYS 65 3HZ LYS 65 -0.664 -11.253 -2.221 554 H LYS 66 H LYS 66 4.742 -9.670 -7.525 555 HA LYS 66 HA LYS 66 5.469 -11.957 -9.044 556 HB2 LYS 66 2HB LYS 66 5.962 -9.066 -9.761 557 HB3 LYS 66 1HB LYS 66 5.833 -10.429 -10.866 558 HG2 LYS 66 2HG LYS 66 3.475 -10.154 -9.207 559 HG3 LYS 66 1HG LYS 66 3.810 -8.693 -10.138 560 HD2 LYS 66 2HD LYS 66 3.956 -11.335 -11.508 561 HD3 LYS 66 1HD LYS 66 2.369 -10.651 -11.149 562 HE2 LYS 66 2HE LYS 66 3.277 -10.088 -13.417 563 HE3 LYS 66 1HE LYS 66 2.832 -8.700 -12.427 564 HZ1 LYS 66 1HZ LYS 66 5.144 -8.375 -11.869 565 HZ2 LYS 66 2HZ LYS 66 4.963 -8.390 -13.551 566 HZ3 LYS 66 3HZ LYS 66 5.592 -9.744 -12.756 567 H LEU 67 H LEU 67 7.350 -9.153 -7.909 568 HA LEU 67 HA LEU 67 9.838 -10.245 -8.775 569 HB2 LEU 67 2HB LEU 67 10.741 -8.380 -7.253 570 HB3 LEU 67 1HB LEU 67 9.844 -7.929 -8.687 571 HG LEU 67 HG LEU 67 8.161 -8.194 -6.308 572 HD11 LEU 67 1HD1 LEU 67 10.311 -6.082 -6.371 573 HD12 LEU 67 2HD1 LEU 67 10.146 -7.376 -5.183 574 HD13 LEU 67 3HD1 LEU 67 8.929 -6.102 -5.276 575 HD21 LEU 67 1HD2 LEU 67 7.994 -6.998 -8.753 576 HD22 LEU 67 2HD2 LEU 67 8.358 -5.630 -7.704 577 HD23 LEU 67 3HD2 LEU 67 6.952 -6.641 -7.377 578 H6 HTS 101 H6 HTS 68 8.081 3.367 3.790 579 H3 HTS 101 H3 HTS 68 7.842 -0.681 0.987 580 H4 HTS 101 H4 HTS 68 10.028 0.323 1.514 581 H5 HTS 101 H5 HTS 68 10.146 2.347 2.916 582 HO1 HTS 101 HO1 HTS 68 5.433 2.089 4.214 Start of MODEL 24 1 H1 GLY 1 1H GLY 1 -16.630 -6.527 11.870 2 H2 GLY 1 2H GLY 1 -17.103 -4.918 12.093 3 H3 GLY 1 3H GLY 1 -15.460 -5.317 12.049 4 HA2 GLY 1 1HA GLY 1 -16.974 -6.106 9.710 5 HA3 GLY 1 2HA GLY 1 -16.831 -4.373 9.954 6 H SER 2 H SER 2 -14.355 -4.030 10.945 7 HA SER 2 HA SER 2 -12.174 -3.816 10.335 8 HB2 SER 2 2HB SER 2 -12.690 -6.555 10.408 9 HB3 SER 2 1HB SER 2 -11.861 -6.310 8.872 10 HG SER 2 HG SER 2 -10.308 -5.049 10.202 11 H ARG 3 H ARG 3 -12.553 -2.146 8.856 12 HA ARG 3 HA ARG 3 -12.366 -2.974 6.037 13 HB2 ARG 3 2HB ARG 3 -14.474 -1.534 7.245 14 HB3 ARG 3 1HB ARG 3 -13.576 -0.375 6.275 15 HG2 ARG 3 2HG ARG 3 -14.450 -3.014 5.156 16 HG3 ARG 3 1HG ARG 3 -15.516 -1.608 5.172 17 HD2 ARG 3 2HD ARG 3 -13.986 -0.350 3.830 18 HD3 ARG 3 1HD ARG 3 -12.754 -1.604 3.969 19 HE ARG 3 HE ARG 3 -13.776 -2.741 2.271 20 HH11 ARG 3 1HH1 ARG 3 -16.007 -0.370 3.529 21 HH12 ARG 3 2HH1 ARG 3 -17.186 -0.639 2.289 22 HH21 ARG 3 1HH2 ARG 3 -15.326 -3.095 0.639 23 HH22 ARG 3 2HH2 ARG 3 -16.800 -2.186 0.649 24 H VAL 4 H VAL 4 -12.268 0.184 7.670 25 HA VAL 4 HA VAL 4 -9.896 0.900 6.184 26 HB VAL 4 HB VAL 4 -11.273 2.509 8.333 27 HG11 VAL 4 1HG1 VAL 4 -8.880 3.004 7.308 28 HG12 VAL 4 2HG1 VAL 4 -10.022 4.296 7.676 29 HG13 VAL 4 3HG1 VAL 4 -9.854 3.712 6.020 30 HG21 VAL 4 1HG2 VAL 4 -11.909 2.162 5.428 31 HG22 VAL 4 2HG2 VAL 4 -12.277 3.675 6.257 32 HG23 VAL 4 3HG2 VAL 4 -12.997 2.165 6.816 33 H LYS 5 H LYS 5 -10.766 0.455 9.601 34 HA LYS 5 HA LYS 5 -8.325 1.098 10.756 35 HB2 LYS 5 2HB LYS 5 -10.359 0.704 12.060 36 HB3 LYS 5 1HB LYS 5 -10.318 -1.001 11.635 37 HG2 LYS 5 2HG LYS 5 -7.893 0.063 12.925 38 HG3 LYS 5 1HG LYS 5 -9.342 -0.011 13.928 39 HD2 LYS 5 2HD LYS 5 -8.335 -2.343 12.310 40 HD3 LYS 5 1HD LYS 5 -7.864 -2.055 13.986 41 HE2 LYS 5 2HE LYS 5 -10.693 -2.410 13.002 42 HE3 LYS 5 1HE LYS 5 -9.725 -3.656 13.791 43 HZ1 LYS 5 1HZ LYS 5 -11.153 -2.655 15.401 44 HZ2 LYS 5 2HZ LYS 5 -10.645 -1.098 14.982 45 HZ3 LYS 5 3HZ LYS 5 -9.570 -2.162 15.739 46 H ALA 6 H ALA 6 -9.329 -1.800 9.092 47 HA ALA 6 HA ALA 6 -7.000 -3.313 9.895 48 HB1 ALA 6 1HB ALA 6 -8.448 -4.949 9.472 49 HB2 ALA 6 2HB ALA 6 -8.170 -4.643 7.757 50 HB3 ALA 6 3HB ALA 6 -9.521 -3.867 8.585 51 H LEU 7 H LEU 7 -7.943 -1.241 7.281 52 HA LEU 7 HA LEU 7 -6.138 -2.126 5.310 53 HB2 LEU 7 2HB LEU 7 -8.139 -0.328 5.356 54 HB3 LEU 7 1HB LEU 7 -6.773 0.764 5.455 55 HG LEU 7 HG LEU 7 -7.229 -1.274 3.276 56 HD11 LEU 7 1HD1 LEU 7 -7.862 1.616 3.551 57 HD12 LEU 7 2HD1 LEU 7 -8.754 0.334 2.732 58 HD13 LEU 7 3HD1 LEU 7 -7.314 1.023 1.983 59 HD21 LEU 7 1HD2 LEU 7 -5.376 0.430 2.315 60 HD22 LEU 7 2HD2 LEU 7 -4.986 -1.089 3.122 61 HD23 LEU 7 3HD2 LEU 7 -4.940 0.426 4.024 62 H GLU 8 H GLU 8 -5.756 -0.035 8.083 63 HA GLU 8 HA GLU 8 -3.272 1.109 7.293 64 HB2 GLU 8 2HB GLU 8 -4.545 0.823 10.017 65 HB3 GLU 8 1HB GLU 8 -3.100 1.769 9.691 66 HG2 GLU 8 2HG GLU 8 -4.282 3.334 8.405 67 HG3 GLU 8 1HG GLU 8 -5.689 2.280 8.270 68 H GLU 9 H GLU 9 -4.194 -1.776 9.054 69 HA GLU 9 HA GLU 9 -1.537 -2.375 9.949 70 HB2 GLU 9 2HB GLU 9 -2.458 -4.408 10.819 71 HB3 GLU 9 1HB GLU 9 -3.610 -3.117 11.130 72 HG2 GLU 9 2HG GLU 9 -5.183 -4.011 9.797 73 HG3 GLU 9 1HG GLU 9 -4.011 -4.611 8.626 74 H LYS 10 H LYS 10 -3.278 -2.866 7.040 75 HA LYS 10 HA LYS 10 -1.813 -5.176 6.164 76 HB2 LYS 10 2HB LYS 10 -4.009 -3.516 5.173 77 HB3 LYS 10 1HB LYS 10 -2.933 -4.077 3.901 78 HG2 LYS 10 2HG LYS 10 -3.708 -6.160 4.017 79 HG3 LYS 10 1HG LYS 10 -3.638 -6.180 5.780 80 HD2 LYS 10 2HD LYS 10 -5.928 -6.462 5.060 81 HD3 LYS 10 1HD LYS 10 -5.747 -4.892 5.843 82 HE2 LYS 10 2HE LYS 10 -6.253 -3.769 3.968 83 HE3 LYS 10 1HE LYS 10 -5.282 -4.839 2.957 84 HZ1 LYS 10 1HZ LYS 10 -7.336 -5.374 2.204 85 HZ2 LYS 10 2HZ LYS 10 -8.110 -5.008 3.663 86 HZ3 LYS 10 3HZ LYS 10 -7.270 -6.467 3.494 87 H VAL 11 H VAL 11 -1.651 -1.693 5.571 88 HA VAL 11 HA VAL 11 0.416 -1.955 3.595 89 HB VAL 11 HB VAL 11 -0.392 0.568 5.036 90 HG11 VAL 11 1HG1 VAL 11 1.232 -0.065 2.624 91 HG12 VAL 11 2HG1 VAL 11 1.493 1.151 3.875 92 HG13 VAL 11 3HG1 VAL 11 0.273 1.415 2.629 93 HG21 VAL 11 1HG2 VAL 11 -1.848 -1.043 3.085 94 HG22 VAL 11 2HG2 VAL 11 -1.636 0.637 2.590 95 HG23 VAL 11 3HG2 VAL 11 -2.413 0.262 4.127 96 H LYS 12 H LYS 12 0.314 -1.439 7.022 97 HA LYS 12 HA LYS 12 2.937 -0.430 7.343 98 HB2 LYS 12 2HB LYS 12 2.691 -0.934 9.685 99 HB3 LYS 12 1HB LYS 12 1.159 -0.311 9.090 100 HG2 LYS 12 2HG LYS 12 0.214 -2.510 9.040 101 HG3 LYS 12 1HG LYS 12 1.772 -3.236 9.437 102 HD2 LYS 12 2HD LYS 12 1.740 -2.061 11.602 103 HD3 LYS 12 1HD LYS 12 0.157 -1.394 11.201 104 HE2 LYS 12 2HE LYS 12 -0.541 -3.860 10.877 105 HE3 LYS 12 1HE LYS 12 0.917 -4.230 11.796 106 HZ1 LYS 12 1HZ LYS 12 0.018 -3.471 13.695 107 HZ2 LYS 12 2HZ LYS 12 -1.451 -3.775 12.914 108 HZ3 LYS 12 3HZ LYS 12 -0.819 -2.207 12.944 109 H ALA 13 H ALA 13 1.589 -3.645 7.095 110 HA ALA 13 HA ALA 13 4.097 -4.959 7.717 111 HB1 ALA 13 1HB ALA 13 1.325 -5.802 7.152 112 HB2 ALA 13 2HB ALA 13 2.486 -6.428 8.323 113 HB3 ALA 13 3HB ALA 13 2.588 -6.918 6.632 114 H LEU 14 H LEU 14 2.394 -3.741 5.005 115 HA LEU 14 HA LEU 14 3.599 -5.218 2.927 116 HB2 LEU 14 2HB LEU 14 1.510 -3.658 3.009 117 HB3 LEU 14 1HB LEU 14 2.653 -2.389 2.634 118 HG LEU 14 HG LEU 14 2.311 -4.860 0.938 119 HD11 LEU 14 1HD1 LEU 14 0.631 -3.910 -0.240 120 HD12 LEU 14 2HD1 LEU 14 1.205 -2.268 0.052 121 HD13 LEU 14 3HD1 LEU 14 0.311 -3.125 1.308 122 HD21 LEU 14 1HD2 LEU 14 4.354 -3.910 0.379 123 HD22 LEU 14 2HD2 LEU 14 3.775 -2.264 0.642 124 HD23 LEU 14 3HD2 LEU 14 3.243 -3.171 -0.773 125 H GLU 15 H GLU 15 4.639 -2.528 4.849 126 HA GLU 15 HA GLU 15 6.677 -1.615 3.055 127 HB2 GLU 15 2HB GLU 15 5.725 -0.037 4.593 128 HB3 GLU 15 1HB GLU 15 6.107 -1.061 5.969 129 HG2 GLU 15 2HG GLU 15 8.477 -0.686 5.621 130 HG3 GLU 15 1HG GLU 15 8.129 0.282 4.190 131 H GLU 16 H GLU 16 6.629 -3.546 6.033 132 HA GLU 16 HA GLU 16 9.337 -3.923 6.398 133 HB2 GLU 16 2HB GLU 16 7.261 -6.073 6.819 134 HB3 GLU 16 1HB GLU 16 8.788 -5.881 7.669 135 HG2 GLU 16 2HG GLU 16 7.864 -3.648 8.477 136 HG3 GLU 16 1HG GLU 16 6.301 -4.226 7.902 137 H LYS 17 H LYS 17 7.256 -5.287 3.978 138 HA LYS 17 HA LYS 17 9.023 -7.411 3.220 139 HB2 LYS 17 2HB LYS 17 6.430 -7.084 2.819 140 HB3 LYS 17 1HB LYS 17 6.982 -6.307 1.341 141 HG2 LYS 17 2HG LYS 17 6.686 -8.461 0.629 142 HG3 LYS 17 1HG LYS 17 8.396 -8.485 1.068 143 HD2 LYS 17 2HD LYS 17 6.457 -9.156 3.203 144 HD3 LYS 17 1HD LYS 17 6.647 -10.334 1.903 145 HE2 LYS 17 2HE LYS 17 9.196 -9.972 2.340 146 HE3 LYS 17 1HE LYS 17 8.646 -9.372 3.905 147 HZ1 LYS 17 1HZ LYS 17 7.571 -11.461 4.327 148 HZ2 LYS 17 2HZ LYS 17 9.185 -11.756 3.921 149 HZ3 LYS 17 3HZ LYS 17 7.964 -12.037 2.785 150 H VAL 18 H VAL 18 8.293 -4.177 1.958 151 HA VAL 18 HA VAL 18 10.146 -4.402 -0.218 152 HB VAL 18 HB VAL 18 9.175 -1.770 0.805 153 HG11 VAL 18 1HG1 VAL 18 9.388 -2.733 -2.028 154 HG12 VAL 18 2HG1 VAL 18 10.771 -2.079 -1.152 155 HG13 VAL 18 3HG1 VAL 18 9.348 -1.076 -1.428 156 HG21 VAL 18 1HG2 VAL 18 7.193 -2.278 -0.853 157 HG22 VAL 18 2HG2 VAL 18 7.104 -2.755 0.843 158 HG23 VAL 18 3HG2 VAL 18 7.528 -3.946 -0.389 159 H LYS 19 H LYS 19 10.103 -2.360 2.709 160 HA LYS 19 HA LYS 19 12.625 -1.273 2.451 161 HB2 LYS 19 2HB LYS 19 10.906 -1.880 4.829 162 HB3 LYS 19 1HB LYS 19 12.527 -1.238 5.058 163 HG2 LYS 19 2HG LYS 19 11.308 0.367 3.100 164 HG3 LYS 19 1HG LYS 19 10.116 0.136 4.378 165 HD2 LYS 19 2HD LYS 19 12.944 0.878 5.035 166 HD3 LYS 19 1HD LYS 19 11.773 2.111 4.561 167 HE2 LYS 19 2HE LYS 19 10.306 0.868 6.393 168 HE3 LYS 19 1HE LYS 19 11.900 0.445 7.015 169 HZ1 LYS 19 1HZ LYS 19 12.289 2.538 7.668 170 HZ2 LYS 19 2HZ LYS 19 10.608 2.716 7.594 171 HZ3 LYS 19 3HZ LYS 19 11.569 3.229 6.301 172 H ALA 20 H ALA 20 11.742 -4.492 3.327 173 HA ALA 20 HA ALA 20 14.364 -5.104 4.426 174 HB1 ALA 20 1HB ALA 20 12.023 -6.941 3.934 175 HB2 ALA 20 2HB ALA 20 12.335 -6.077 5.440 176 HB3 ALA 20 3HB ALA 20 13.468 -7.305 4.877 177 H LEU 21 H LEU 21 12.757 -5.156 1.404 178 HA LEU 21 HA LEU 21 14.698 -7.062 0.302 179 HB2 LEU 21 2HB LEU 21 13.229 -7.503 -1.437 180 HB3 LEU 21 1HB LEU 21 12.157 -7.277 -0.069 181 HG LEU 21 HG LEU 21 11.984 -4.822 -0.934 182 HD11 LEU 21 1HD1 LEU 21 13.399 -4.515 -2.665 183 HD12 LEU 21 2HD1 LEU 21 12.043 -5.164 -3.586 184 HD13 LEU 21 3HD1 LEU 21 13.380 -6.217 -3.128 185 HD21 LEU 21 1HD2 LEU 21 10.265 -6.735 -0.940 186 HD22 LEU 21 2HD2 LEU 21 10.665 -6.892 -2.650 187 HD23 LEU 21 3HD2 LEU 21 10.009 -5.376 -2.034 188 H GLY 22 H GLY 22 15.365 -6.498 -2.035 189 HA2 GLY 22 2HA GLY 22 15.490 -3.817 -2.884 190 HA3 GLY 22 1HA GLY 22 16.943 -4.181 -1.966 191 H GLY 23 H GLY 23 16.509 -3.565 -4.852 192 HA2 GLY 23 2HA GLY 23 18.145 -4.291 -6.486 193 HA3 GLY 23 1HA GLY 23 17.922 -5.933 -5.902 194 H GLY 24 H GLY 24 16.539 -3.350 -7.826 195 HA2 GLY 24 2HA GLY 24 15.594 -4.671 -9.926 196 HA3 GLY 24 1HA GLY 24 14.363 -5.065 -8.735 197 H GLY 25 H GLY 25 14.605 -3.311 -11.293 198 HA2 GLY 25 2HA GLY 25 14.140 -0.637 -10.591 199 HA3 GLY 25 1HA GLY 25 13.603 -1.402 -12.078 200 H ARG 26 H ARG 26 11.894 -3.347 -10.907 201 HA ARG 26 HA ARG 26 9.495 -1.950 -10.777 202 HB2 ARG 26 2HB ARG 26 8.454 -4.001 -10.213 203 HB3 ARG 26 1HB ARG 26 9.823 -4.421 -11.230 204 HG2 ARG 26 2HG ARG 26 9.840 -4.550 -8.222 205 HG3 ARG 26 1HG ARG 26 9.511 -5.923 -9.280 206 HD2 ARG 26 2HD ARG 26 11.775 -5.310 -10.375 207 HD3 ARG 26 1HD ARG 26 12.057 -4.394 -8.900 208 HE ARG 26 HE ARG 26 12.170 -6.386 -7.693 209 HH11 ARG 26 1HH1 ARG 26 11.440 -6.999 -11.056 210 HH12 ARG 26 2HH1 ARG 26 11.841 -8.680 -10.961 211 HH21 ARG 26 1HH2 ARG 26 12.688 -8.596 -7.572 212 HH22 ARG 26 2HH2 ARG 26 12.548 -9.587 -8.986 213 H ILE 27 H ILE 27 11.794 -2.670 -8.278 214 HA ILE 27 HA ILE 27 10.126 -2.334 -6.038 215 HB ILE 27 HB ILE 27 13.085 -1.761 -6.200 216 HG12 ILE 27 2HG1 ILE 27 11.739 -4.344 -5.394 217 HG13 ILE 27 1HG1 ILE 27 12.371 -4.048 -7.009 218 HG21 ILE 27 1HG2 ILE 27 12.156 -2.859 -3.712 219 HG22 ILE 27 2HG2 ILE 27 11.260 -1.394 -4.107 220 HG23 ILE 27 3HG2 ILE 27 13.020 -1.353 -4.018 221 HD11 ILE 27 1HD1 ILE 27 14.004 -3.972 -4.486 222 HD12 ILE 27 2HD1 ILE 27 14.602 -3.818 -6.137 223 HD13 ILE 27 3HD1 ILE 27 13.903 -5.342 -5.591 224 H GLU 28 H GLU 28 11.747 -0.057 -8.126 225 HA GLU 28 HA GLU 28 11.694 2.189 -6.432 226 HB2 GLU 28 2HB GLU 28 12.743 1.695 -8.871 227 HB3 GLU 28 1HB GLU 28 11.342 2.655 -9.333 228 HG2 GLU 28 2HG GLU 28 12.919 4.285 -9.084 229 HG3 GLU 28 1HG GLU 28 12.206 4.271 -7.472 230 H GLU 29 H GLU 29 9.454 1.330 -9.088 231 HA GLU 29 HA GLU 29 7.645 3.422 -8.639 232 HB2 GLU 29 2HB GLU 29 7.590 2.184 -10.706 233 HB3 GLU 29 1HB GLU 29 7.229 0.688 -9.858 234 HG2 GLU 29 2HG GLU 29 5.043 1.096 -9.866 235 HG3 GLU 29 1HG GLU 29 5.273 2.749 -9.294 236 H LEU 30 H LEU 30 8.031 0.361 -7.038 237 HA LEU 30 HA LEU 30 5.452 0.354 -5.797 238 HB2 LEU 30 2HB LEU 30 7.967 -1.193 -5.186 239 HB3 LEU 30 1HB LEU 30 6.423 -1.469 -4.402 240 HG LEU 30 HG LEU 30 6.873 -1.753 -7.370 241 HD11 LEU 30 1HD1 LEU 30 6.447 -4.263 -6.477 242 HD12 LEU 30 2HD1 LEU 30 7.367 -3.592 -5.130 243 HD13 LEU 30 3HD1 LEU 30 8.045 -3.571 -6.758 244 HD21 LEU 30 1HD2 LEU 30 4.544 -1.274 -6.369 245 HD22 LEU 30 2HD2 LEU 30 4.636 -2.929 -5.766 246 HD23 LEU 30 3HD2 LEU 30 4.724 -2.615 -7.498 247 H LYS 31 H LYS 31 8.476 1.844 -5.100 248 HA LYS 31 HA LYS 31 8.049 2.124 -2.274 249 HB2 LYS 31 2HB LYS 31 10.305 2.061 -3.218 250 HB3 LYS 31 1HB LYS 31 9.976 3.527 -4.132 251 HG2 LYS 31 2HG LYS 31 10.282 4.867 -2.353 252 HG3 LYS 31 1HG LYS 31 9.551 3.720 -1.230 253 HD2 LYS 31 2HD LYS 31 11.535 2.519 -0.976 254 HD3 LYS 31 1HD LYS 31 12.227 3.172 -2.462 255 HE2 LYS 31 2HE LYS 31 11.571 5.018 -0.211 256 HE3 LYS 31 1HE LYS 31 13.031 4.034 -0.124 257 HZ1 LYS 31 1HZ LYS 31 13.727 4.974 -2.252 258 HZ2 LYS 31 2HZ LYS 31 13.506 6.182 -1.089 259 HZ3 LYS 31 3HZ LYS 31 12.341 5.944 -2.292 260 H LYS 32 H LYS 32 8.171 4.528 -4.913 261 HA LYS 32 HA LYS 32 7.336 6.736 -3.508 262 HB2 LYS 32 2HB LYS 32 7.932 6.209 -6.120 263 HB3 LYS 32 1HB LYS 32 6.211 6.555 -6.220 264 HG2 LYS 32 2HG LYS 32 7.555 8.496 -4.566 265 HG3 LYS 32 1HG LYS 32 8.302 8.390 -6.161 266 HD2 LYS 32 2HD LYS 32 6.190 8.805 -7.236 267 HD3 LYS 32 1HD LYS 32 5.341 8.730 -5.691 268 HE2 LYS 32 2HE LYS 32 5.532 11.009 -6.044 269 HE3 LYS 32 1HE LYS 32 6.918 10.667 -5.010 270 HZ1 LYS 32 1HZ LYS 32 6.961 11.911 -7.456 271 HZ2 LYS 32 2HZ LYS 32 7.580 10.367 -7.762 272 HZ3 LYS 32 3HZ LYS 32 8.300 11.349 -6.588 273 H LYS 33 H LYS 33 5.359 4.192 -4.920 274 HA LYS 33 HA LYS 33 2.882 5.539 -4.329 275 HB2 LYS 33 2HB LYS 33 3.565 3.684 -6.169 276 HB3 LYS 33 1HB LYS 33 2.845 2.651 -4.944 277 HG2 LYS 33 2HG LYS 33 0.870 4.279 -5.002 278 HG3 LYS 33 1HG LYS 33 1.577 4.864 -6.510 279 HD2 LYS 33 2HD LYS 33 -0.110 3.169 -6.958 280 HD3 LYS 33 1HD LYS 33 1.490 2.586 -7.421 281 HE2 LYS 33 2HE LYS 33 1.481 0.953 -5.873 282 HE3 LYS 33 1HE LYS 33 0.707 1.972 -4.659 283 HZ1 LYS 33 1HZ LYS 33 -0.942 1.145 -6.913 284 HZ2 LYS 33 2HZ LYS 33 -1.345 1.305 -5.279 285 HZ3 LYS 33 3HZ LYS 33 -0.513 -0.066 -5.812 286 H CYS 34 H CYS 34 4.941 3.268 -2.715 287 HA CYS 34 HA CYS 34 3.049 2.039 -1.030 288 HB2 CYS 34 2HB CYS 34 5.830 1.936 -1.434 289 HB3 CYS 34 1HB CYS 34 5.612 2.320 0.264 290 H GLU 35 H GLU 35 5.344 4.660 -0.219 291 HA GLU 35 HA GLU 35 4.220 5.142 2.320 292 HB2 GLU 35 2HB GLU 35 5.585 7.252 2.242 293 HB3 GLU 35 1HB GLU 35 6.483 5.762 1.980 294 HG2 GLU 35 2HG GLU 35 7.218 6.492 0.033 295 HG3 GLU 35 1HG GLU 35 5.569 6.765 -0.524 296 H GLU 36 H GLU 36 3.780 6.761 -0.801 297 HA GLU 36 HA GLU 36 2.230 8.904 0.110 298 HB2 GLU 36 2HB GLU 36 3.262 8.492 -2.218 299 HB3 GLU 36 1HB GLU 36 1.795 7.583 -2.558 300 HG2 GLU 36 2HG GLU 36 0.981 10.038 -1.454 301 HG3 GLU 36 1HG GLU 36 2.236 10.403 -2.636 302 H LEU 37 H LEU 37 1.445 5.582 -0.460 303 HA LEU 37 HA LEU 37 -1.367 5.842 -0.639 304 HB2 LEU 37 2HB LEU 37 -0.483 3.864 -1.503 305 HB3 LEU 37 1HB LEU 37 0.522 3.585 -0.096 306 HG LEU 37 HG LEU 37 -1.363 2.865 1.201 307 HD11 LEU 37 1HD1 LEU 37 -3.576 3.079 0.628 308 HD12 LEU 37 2HD1 LEU 37 -3.235 3.158 -1.100 309 HD13 LEU 37 3HD1 LEU 37 -2.908 4.553 -0.072 310 HD21 LEU 37 1HD2 LEU 37 -1.579 0.819 0.251 311 HD22 LEU 37 2HD2 LEU 37 -0.293 1.443 -0.782 312 HD23 LEU 37 3HD2 LEU 37 -1.966 1.475 -1.340 313 H LYS 38 H LYS 38 0.806 5.105 2.077 314 HA LYS 38 HA LYS 38 -1.163 4.615 4.002 315 HB2 LYS 38 2HB LYS 38 1.696 5.049 3.953 316 HB3 LYS 38 1HB LYS 38 0.975 5.819 5.358 317 HG2 LYS 38 2HG LYS 38 -0.172 3.609 5.813 318 HG3 LYS 38 1HG LYS 38 0.891 2.919 4.585 319 HD2 LYS 38 2HD LYS 38 2.211 4.557 6.652 320 HD3 LYS 38 1HD LYS 38 1.503 3.041 7.212 321 HE2 LYS 38 2HE LYS 38 2.757 1.827 5.495 322 HE3 LYS 38 1HE LYS 38 3.465 3.343 4.941 323 HZ1 LYS 38 1HZ LYS 38 3.972 1.864 7.436 324 HZ2 LYS 38 2HZ LYS 38 4.240 3.533 7.380 325 HZ3 LYS 38 3HZ LYS 38 5.081 2.508 6.330 326 H LYS 39 H LYS 39 0.680 7.633 3.516 327 HA LYS 39 HA LYS 39 -0.675 9.206 5.340 328 HB2 LYS 39 2HB LYS 39 0.233 11.110 4.198 329 HB3 LYS 39 1HB LYS 39 1.427 9.822 4.138 330 HG2 LYS 39 2HG LYS 39 0.293 9.321 1.824 331 HG3 LYS 39 1HG LYS 39 -0.193 11.012 1.950 332 HD2 LYS 39 2HD LYS 39 2.632 9.963 2.130 333 HD3 LYS 39 1HD LYS 39 1.919 10.778 0.735 334 HE2 LYS 39 2HE LYS 39 1.435 12.695 2.398 335 HE3 LYS 39 1HE LYS 39 2.631 11.901 3.421 336 HZ1 LYS 39 1HZ LYS 39 3.319 12.450 0.623 337 HZ2 LYS 39 2HZ LYS 39 4.319 12.390 1.985 338 HZ3 LYS 39 3HZ LYS 39 3.330 13.736 1.723 339 H LYS 40 H LYS 40 -1.648 8.179 2.163 340 HA LYS 40 HA LYS 40 -3.653 10.131 1.722 341 HB2 LYS 40 2HB LYS 40 -2.644 8.639 -0.029 342 HB3 LYS 40 1HB LYS 40 -3.582 7.311 0.638 343 HG2 LYS 40 2HG LYS 40 -5.234 7.879 -0.717 344 HG3 LYS 40 1HG LYS 40 -5.422 9.368 0.210 345 HD2 LYS 40 2HD LYS 40 -4.636 10.603 -1.473 346 HD3 LYS 40 1HD LYS 40 -3.220 9.566 -1.655 347 HE2 LYS 40 2HE LYS 40 -4.513 9.606 -3.710 348 HE3 LYS 40 1HE LYS 40 -4.551 7.997 -2.990 349 HZ1 LYS 40 1HZ LYS 40 -6.702 10.041 -2.934 350 HZ2 LYS 40 2HZ LYS 40 -6.736 8.624 -2.011 351 HZ3 LYS 40 3HZ LYS 40 -6.737 8.531 -3.699 352 H ILE 41 H ILE 41 -3.549 7.221 3.615 353 HA ILE 41 HA ILE 41 -6.400 6.916 3.828 354 HB ILE 41 HB ILE 41 -4.384 5.780 5.757 355 HG12 ILE 41 2HG1 ILE 41 -5.143 4.742 3.018 356 HG13 ILE 41 1HG1 ILE 41 -3.543 5.244 3.551 357 HG21 ILE 41 1HG2 ILE 41 -6.647 5.466 6.437 358 HG22 ILE 41 2HG2 ILE 41 -6.060 3.923 5.817 359 HG23 ILE 41 3HG2 ILE 41 -7.117 4.928 4.825 360 HD11 ILE 41 1HD1 ILE 41 -3.802 2.804 3.439 361 HD12 ILE 41 2HD1 ILE 41 -5.067 2.901 4.664 362 HD13 ILE 41 3HD1 ILE 41 -3.415 3.373 5.062 363 H GLU 42 H GLU 42 -3.858 8.508 5.645 364 HA GLU 42 HA GLU 42 -5.368 9.060 7.977 365 HB2 GLU 42 2HB GLU 42 -3.079 10.700 6.882 366 HB3 GLU 42 1HB GLU 42 -3.614 10.600 8.554 367 HG2 GLU 42 2HG GLU 42 -2.816 8.060 7.291 368 HG3 GLU 42 1HG GLU 42 -1.531 9.234 7.572 369 H GLU 43 H GLU 43 -5.075 10.597 4.863 370 HA GLU 43 HA GLU 43 -6.383 13.031 5.647 371 HB2 GLU 43 2HB GLU 43 -6.210 13.677 3.366 372 HB3 GLU 43 1HB GLU 43 -4.726 12.819 3.750 373 HG2 GLU 43 2HG GLU 43 -5.164 11.142 2.321 374 HG3 GLU 43 1HG GLU 43 -6.900 11.191 2.605 375 H LEU 44 H LEU 44 -7.303 9.940 4.386 376 HA LEU 44 HA LEU 44 -9.826 10.513 3.346 377 HB2 LEU 44 2HB LEU 44 -8.531 8.079 4.493 378 HB3 LEU 44 1HB LEU 44 -10.249 8.042 4.161 379 HG LEU 44 HG LEU 44 -8.255 8.826 2.053 380 HD11 LEU 44 1HD1 LEU 44 -8.725 6.198 3.205 381 HD12 LEU 44 2HD1 LEU 44 -7.459 6.746 2.105 382 HD13 LEU 44 3HD1 LEU 44 -9.027 6.250 1.469 383 HD21 LEU 44 1HD2 LEU 44 -11.055 7.713 1.912 384 HD22 LEU 44 2HD2 LEU 44 -10.042 8.164 0.539 385 HD23 LEU 44 3HD2 LEU 44 -10.602 9.401 1.665 386 H GLY 45 H GLY 45 -11.933 10.178 4.239 387 HA2 GLY 45 2HA GLY 45 -12.039 10.905 7.087 388 HA3 GLY 45 1HA GLY 45 -13.302 11.220 5.907 389 H GLY 46 H GLY 46 -14.870 9.708 5.545 390 HA2 GLY 46 2HA GLY 46 -14.563 7.030 6.647 391 HA3 GLY 46 1HA GLY 46 -15.797 8.032 7.394 392 H GLY 47 H GLY 47 -14.934 6.113 4.663 393 HA2 GLY 47 2HA GLY 47 -16.410 5.053 3.204 394 HA3 GLY 47 1HA GLY 47 -17.706 6.068 3.815 395 H GLY 48 H GLY 48 -16.899 5.369 1.044 396 HA2 GLY 48 2HA GLY 48 -17.380 6.697 -0.863 397 HA3 GLY 48 1HA GLY 48 -16.867 8.120 0.032 398 H GLU 49 H GLU 49 -14.707 8.691 0.076 399 HA GLU 49 HA GLU 49 -13.156 7.913 -2.151 400 HB2 GLU 49 2HB GLU 49 -13.060 10.136 -0.989 401 HB3 GLU 49 1HB GLU 49 -12.187 9.353 0.321 402 HG2 GLU 49 2HG GLU 49 -10.542 8.609 -1.515 403 HG3 GLU 49 1HG GLU 49 -11.305 9.864 -2.489 404 H VAL 50 H VAL 50 -13.543 6.498 0.923 405 HA VAL 50 HA VAL 50 -10.964 5.371 1.264 406 HB VAL 50 HB VAL 50 -13.566 4.242 2.295 407 HG11 VAL 50 1HG1 VAL 50 -10.707 3.724 2.801 408 HG12 VAL 50 2HG1 VAL 50 -12.100 2.650 2.937 409 HG13 VAL 50 3HG1 VAL 50 -11.745 3.802 4.225 410 HG21 VAL 50 1HG2 VAL 50 -11.860 6.486 3.344 411 HG22 VAL 50 2HG2 VAL 50 -12.993 5.593 4.359 412 HG23 VAL 50 3HG2 VAL 50 -13.584 6.506 2.970 413 H LYS 51 H LYS 51 -13.585 4.590 -0.814 414 HA LYS 51 HA LYS 51 -12.948 1.814 -1.142 415 HB2 LYS 51 2HB LYS 51 -14.731 3.731 -2.623 416 HB3 LYS 51 1HB LYS 51 -14.468 2.090 -3.195 417 HG2 LYS 51 2HG LYS 51 -15.111 1.901 -0.459 418 HG3 LYS 51 1HG LYS 51 -16.255 3.035 -1.182 419 HD2 LYS 51 2HD LYS 51 -16.573 1.293 -3.015 420 HD3 LYS 51 1HD LYS 51 -15.721 0.176 -1.947 421 HE2 LYS 51 2HE LYS 51 -18.245 1.686 -1.275 422 HE3 LYS 51 1HE LYS 51 -18.150 -0.021 -1.709 423 HZ1 LYS 51 1HZ LYS 51 -16.428 0.051 0.302 424 HZ2 LYS 51 2HZ LYS 51 -18.078 -0.251 0.518 425 HZ3 LYS 51 3HZ LYS 51 -17.461 1.300 0.787 426 H LYS 52 H LYS 52 -11.891 4.792 -2.583 427 HA LYS 52 HA LYS 52 -10.777 3.561 -4.936 428 HB2 LYS 52 2HB LYS 52 -9.667 6.170 -4.158 429 HB3 LYS 52 1HB LYS 52 -10.375 5.656 -5.680 430 HG2 LYS 52 2HG LYS 52 -11.828 6.596 -3.221 431 HG3 LYS 52 1HG LYS 52 -11.690 7.429 -4.769 432 HD2 LYS 52 2HD LYS 52 -12.786 4.723 -4.979 433 HD3 LYS 52 1HD LYS 52 -13.774 5.818 -4.011 434 HE2 LYS 52 2HE LYS 52 -14.599 6.141 -6.153 435 HE3 LYS 52 1HE LYS 52 -13.453 7.468 -5.972 436 HZ1 LYS 52 1HZ LYS 52 -12.711 6.709 -7.936 437 HZ2 LYS 52 2HZ LYS 52 -13.349 5.158 -7.721 438 HZ3 LYS 52 3HZ LYS 52 -11.881 5.576 -6.993 439 H VAL 53 H VAL 53 -9.341 5.140 -2.084 440 HA VAL 53 HA VAL 53 -6.686 4.504 -2.576 441 HB VAL 53 HB VAL 53 -7.933 4.583 0.173 442 HG11 VAL 53 1HG1 VAL 53 -5.853 4.762 1.013 443 HG12 VAL 53 2HG1 VAL 53 -5.274 5.735 -0.340 444 HG13 VAL 53 3HG1 VAL 53 -5.385 3.981 -0.498 445 HG21 VAL 53 1HG2 VAL 53 -7.485 6.717 -1.821 446 HG22 VAL 53 2HG2 VAL 53 -6.999 7.075 -0.164 447 HG23 VAL 53 3HG2 VAL 53 -8.664 6.612 -0.514 448 H GLU 54 H GLU 54 -9.244 2.514 -1.244 449 HA GLU 54 HA GLU 54 -7.704 0.471 -0.113 450 HB2 GLU 54 2HB GLU 54 -10.363 0.952 -0.315 451 HB3 GLU 54 1HB GLU 54 -10.192 -0.345 -1.490 452 HG2 GLU 54 2HG GLU 54 -8.863 -0.805 1.089 453 HG3 GLU 54 1HG GLU 54 -10.623 -0.717 1.145 454 H GLU 55 H GLU 55 -8.773 1.010 -3.423 455 HA GLU 55 HA GLU 55 -7.825 -1.481 -4.436 456 HB2 GLU 55 2HB GLU 55 -9.584 -0.208 -5.573 457 HB3 GLU 55 1HB GLU 55 -8.456 1.106 -5.871 458 HG2 GLU 55 2HG GLU 55 -7.343 -1.317 -6.882 459 HG3 GLU 55 1HG GLU 55 -8.991 -1.142 -7.481 460 H GLU 56 H GLU 56 -6.409 1.631 -3.850 461 HA GLU 56 HA GLU 56 -4.161 1.406 -5.549 462 HB2 GLU 56 2HB GLU 56 -4.618 3.011 -3.032 463 HB3 GLU 56 1HB GLU 56 -3.194 3.174 -4.047 464 HG2 GLU 56 2HG GLU 56 -4.972 3.567 -5.933 465 HG3 GLU 56 1HG GLU 56 -6.001 3.999 -4.568 466 H VAL 57 H VAL 57 -4.887 0.175 -2.379 467 HA VAL 57 HA VAL 57 -2.148 -0.495 -1.754 468 HB VAL 57 HB VAL 57 -4.604 -1.528 -0.343 469 HG11 VAL 57 1HG1 VAL 57 -2.011 -2.206 -0.002 470 HG12 VAL 57 2HG1 VAL 57 -3.222 -2.249 1.279 471 HG13 VAL 57 3HG1 VAL 57 -2.147 -0.860 1.127 472 HG21 VAL 57 1HG2 VAL 57 -3.494 0.668 1.062 473 HG22 VAL 57 2HG2 VAL 57 -5.104 0.519 0.358 474 HG23 VAL 57 3HG2 VAL 57 -3.783 1.187 -0.599 475 H LYS 58 H LYS 58 -4.866 -1.996 -3.272 476 HA LYS 58 HA LYS 58 -3.982 -4.694 -2.959 477 HB2 LYS 58 2HB LYS 58 -6.251 -3.316 -4.091 478 HB3 LYS 58 1HB LYS 58 -5.682 -4.570 -5.185 479 HG2 LYS 58 2HG LYS 58 -6.045 -5.227 -2.303 480 HG3 LYS 58 1HG LYS 58 -7.463 -5.101 -3.348 481 HD2 LYS 58 2HD LYS 58 -6.865 -6.922 -4.610 482 HD3 LYS 58 1HD LYS 58 -5.144 -6.721 -4.279 483 HE2 LYS 58 2HE LYS 58 -6.445 -7.235 -1.813 484 HE3 LYS 58 1HE LYS 58 -7.026 -8.420 -2.982 485 HZ1 LYS 58 1HZ LYS 58 -4.854 -8.834 -1.620 486 HZ2 LYS 58 2HZ LYS 58 -4.146 -7.896 -2.836 487 HZ3 LYS 58 3HZ LYS 58 -4.962 -9.322 -3.235 488 H LYS 59 H LYS 59 -3.382 -2.158 -5.274 489 HA LYS 59 HA LYS 59 -2.399 -3.889 -7.334 490 HB2 LYS 59 2HB LYS 59 -3.331 -1.671 -7.838 491 HB3 LYS 59 1HB LYS 59 -2.009 -0.914 -6.960 492 HG2 LYS 59 2HG LYS 59 -1.039 -2.735 -8.990 493 HG3 LYS 59 1HG LYS 59 -2.093 -1.493 -9.667 494 HD2 LYS 59 2HD LYS 59 -0.144 -0.494 -7.716 495 HD3 LYS 59 1HD LYS 59 0.575 -1.186 -9.171 496 HE2 LYS 59 2HE LYS 59 -1.226 0.270 -10.389 497 HE3 LYS 59 1HE LYS 59 -1.221 1.181 -8.879 498 HZ1 LYS 59 1HZ LYS 59 0.835 0.970 -10.926 499 HZ2 LYS 59 2HZ LYS 59 1.382 1.005 -9.326 500 HZ3 LYS 59 3HZ LYS 59 0.434 2.273 -9.922 501 H LEU 60 H LEU 60 -0.878 -1.938 -4.789 502 HA LEU 60 HA LEU 60 1.775 -2.541 -5.693 503 HB2 LEU 60 2HB LEU 60 0.953 -0.519 -4.292 504 HB3 LEU 60 1HB LEU 60 1.146 -1.602 -2.923 505 HG LEU 60 HG LEU 60 3.472 -1.516 -4.708 506 HD11 LEU 60 1HD1 LEU 60 2.258 0.955 -3.919 507 HD12 LEU 60 2HD1 LEU 60 3.704 0.671 -4.887 508 HD13 LEU 60 3HD1 LEU 60 3.822 0.765 -3.130 509 HD21 LEU 60 1HD2 LEU 60 3.029 -1.293 -1.741 510 HD22 LEU 60 2HD2 LEU 60 4.617 -1.266 -2.509 511 HD23 LEU 60 3HD2 LEU 60 3.596 -2.698 -2.645 512 H GLU 61 H GLU 61 -0.488 -4.065 -3.570 513 HA GLU 61 HA GLU 61 1.384 -5.593 -2.073 514 HB2 GLU 61 2HB GLU 61 -1.291 -5.102 -1.864 515 HB3 GLU 61 1HB GLU 61 -1.296 -6.748 -2.478 516 HG2 GLU 61 2HG GLU 61 0.370 -7.250 -0.600 517 HG3 GLU 61 1HG GLU 61 -0.142 -5.704 0.076 518 H GLU 62 H GLU 62 -0.782 -6.446 -4.761 519 HA GLU 62 HA GLU 62 0.217 -9.044 -5.153 520 HB2 GLU 62 2HB GLU 62 -1.902 -7.669 -6.105 521 HB3 GLU 62 1HB GLU 62 -0.842 -7.587 -7.505 522 HG2 GLU 62 2HG GLU 62 -0.635 -10.057 -7.425 523 HG3 GLU 62 1HG GLU 62 -1.824 -10.070 -6.121 524 H GLU 63 H GLU 63 1.334 -5.928 -6.190 525 HA GLU 63 HA GLU 63 2.901 -6.670 -8.389 526 HB2 GLU 63 2HB GLU 63 2.346 -4.322 -6.995 527 HB3 GLU 63 1HB GLU 63 4.085 -4.521 -6.823 528 HG2 GLU 63 2HG GLU 63 2.684 -4.673 -9.476 529 HG3 GLU 63 1HG GLU 63 3.288 -3.164 -8.793 530 H ILE 64 H ILE 64 3.964 -6.070 -5.039 531 HA ILE 64 HA ILE 64 6.596 -6.884 -5.303 532 HB ILE 64 HB ILE 64 4.897 -7.318 -2.842 533 HG12 ILE 64 2HG1 ILE 64 6.382 -4.834 -3.732 534 HG13 ILE 64 1HG1 ILE 64 4.635 -5.012 -3.642 535 HG21 ILE 64 1HG2 ILE 64 7.842 -6.729 -3.060 536 HG22 ILE 64 2HG2 ILE 64 7.170 -8.352 -2.904 537 HG23 ILE 64 3HG2 ILE 64 6.938 -7.173 -1.612 538 HD11 ILE 64 1HD1 ILE 64 4.594 -4.853 -1.366 539 HD12 ILE 64 2HD1 ILE 64 5.976 -3.821 -1.739 540 HD13 ILE 64 3HD1 ILE 64 6.235 -5.474 -1.183 541 H LYS 65 H LYS 65 3.695 -8.791 -5.084 542 HA LYS 65 HA LYS 65 4.812 -11.233 -4.249 543 HB2 LYS 65 2HB LYS 65 2.281 -10.299 -5.318 544 HB3 LYS 65 1HB LYS 65 2.700 -11.882 -5.958 545 HG2 LYS 65 2HG LYS 65 1.585 -12.516 -4.087 546 HG3 LYS 65 1HG LYS 65 3.212 -12.387 -3.419 547 HD2 LYS 65 2HD LYS 65 2.030 -9.816 -3.281 548 HD3 LYS 65 1HD LYS 65 0.848 -10.973 -2.668 549 HE2 LYS 65 2HE LYS 65 3.602 -11.375 -1.722 550 HE3 LYS 65 1HE LYS 65 2.839 -9.878 -1.187 551 HZ1 LYS 65 1HZ LYS 65 2.434 -11.649 0.383 552 HZ2 LYS 65 2HZ LYS 65 1.751 -12.618 -0.823 553 HZ3 LYS 65 3HZ LYS 65 0.977 -11.192 -0.346 554 H LYS 66 H LYS 66 4.624 -9.680 -7.380 555 HA LYS 66 HA LYS 66 5.355 -11.953 -8.922 556 HB2 LYS 66 2HB LYS 66 5.200 -9.010 -9.403 557 HB3 LYS 66 1HB LYS 66 6.097 -9.999 -10.547 558 HG2 LYS 66 2HG LYS 66 3.563 -11.216 -9.980 559 HG3 LYS 66 1HG LYS 66 3.337 -9.537 -10.469 560 HD2 LYS 66 2HD LYS 66 3.327 -10.620 -12.507 561 HD3 LYS 66 1HD LYS 66 5.024 -10.157 -12.362 562 HE2 LYS 66 2HE LYS 66 4.305 -12.766 -11.196 563 HE3 LYS 66 1HE LYS 66 4.176 -12.655 -12.951 564 HZ1 LYS 66 1HZ LYS 66 6.546 -11.520 -12.562 565 HZ2 LYS 66 2HZ LYS 66 6.347 -13.177 -12.837 566 HZ3 LYS 66 3HZ LYS 66 6.533 -12.599 -11.258 567 H LEU 67 H LEU 67 7.218 -9.073 -7.952 568 HA LEU 67 HA LEU 67 9.702 -10.060 -8.847 569 HB2 LEU 67 2HB LEU 67 10.577 -8.284 -7.186 570 HB3 LEU 67 1HB LEU 67 9.673 -7.768 -8.593 571 HG LEU 67 HG LEU 67 7.943 -8.219 -6.298 572 HD11 LEU 67 1HD1 LEU 67 9.425 -7.468 -4.759 573 HD12 LEU 67 2HD1 LEU 67 8.877 -5.905 -5.366 574 HD13 LEU 67 3HD1 LEU 67 10.392 -6.596 -5.949 575 HD21 LEU 67 1HD2 LEU 67 7.854 -6.793 -8.601 576 HD22 LEU 67 2HD2 LEU 67 8.258 -5.531 -7.439 577 HD23 LEU 67 3HD2 LEU 67 6.808 -6.508 -7.211 578 H6 HTS 101 H6 HTS 68 7.742 3.532 3.566 579 H3 HTS 101 H3 HTS 68 7.849 -0.685 1.015 580 H4 HTS 101 H4 HTS 68 9.944 0.521 1.488 581 H5 HTS 101 H5 HTS 68 9.888 2.633 2.757 582 HO1 HTS 101 HO1 HTS 68 5.462 2.685 4.098 Start of MODEL 25 1 H1 GLY 1 1H GLY 1 -17.455 -4.292 14.335 2 H2 GLY 1 2H GLY 1 -18.772 -3.232 14.270 3 H3 GLY 1 3H GLY 1 -17.207 -2.623 14.477 4 HA2 GLY 1 1HA GLY 1 -17.641 -4.247 12.105 5 HA3 GLY 1 2HA GLY 1 -18.445 -2.685 12.130 6 H SER 2 H SER 2 -15.560 -4.327 11.524 7 HA SER 2 HA SER 2 -14.049 -1.799 11.473 8 HB2 SER 2 2HB SER 2 -12.957 -4.620 11.588 9 HB3 SER 2 1HB SER 2 -12.010 -3.133 11.638 10 HG SER 2 HG SER 2 -13.673 -4.260 13.594 11 H ARG 3 H ARG 3 -13.043 -1.161 9.615 12 HA ARG 3 HA ARG 3 -12.977 -2.931 7.314 13 HB2 ARG 3 2HB ARG 3 -15.079 -1.051 7.665 14 HB3 ARG 3 1HB ARG 3 -14.046 -0.448 6.375 15 HG2 ARG 3 2HG ARG 3 -14.923 -3.299 6.347 16 HG3 ARG 3 1HG ARG 3 -16.037 -2.030 5.834 17 HD2 ARG 3 2HD ARG 3 -13.690 -1.386 4.536 18 HD3 ARG 3 1HD ARG 3 -13.717 -3.147 4.473 19 HE ARG 3 HE ARG 3 -15.382 -2.999 2.929 20 HH11 ARG 3 1HH1 ARG 3 -15.321 -0.021 4.746 21 HH12 ARG 3 2HH1 ARG 3 -16.542 0.739 3.782 22 HH21 ARG 3 1HH2 ARG 3 -16.987 -2.002 1.658 23 HH22 ARG 3 2HH2 ARG 3 -17.490 -0.386 2.029 24 H VAL 4 H VAL 4 -12.597 0.493 8.246 25 HA VAL 4 HA VAL 4 -10.344 0.805 6.462 26 HB VAL 4 HB VAL 4 -11.335 2.767 8.529 27 HG11 VAL 4 1HG1 VAL 4 -9.076 3.141 7.547 28 HG12 VAL 4 2HG1 VAL 4 -10.231 4.430 7.205 29 HG13 VAL 4 3HG1 VAL 4 -9.837 3.245 5.959 30 HG21 VAL 4 1HG2 VAL 4 -12.397 2.043 5.852 31 HG22 VAL 4 2HG2 VAL 4 -12.376 3.749 6.298 32 HG23 VAL 4 3HG2 VAL 4 -13.247 2.586 7.299 33 H LYS 5 H LYS 5 -10.898 0.338 9.888 34 HA LYS 5 HA LYS 5 -8.406 1.092 10.890 35 HB2 LYS 5 2HB LYS 5 -10.516 0.439 12.176 36 HB3 LYS 5 1HB LYS 5 -10.009 -1.229 11.950 37 HG2 LYS 5 2HG LYS 5 -8.138 -0.976 13.306 38 HG3 LYS 5 1HG LYS 5 -8.162 0.783 13.172 39 HD2 LYS 5 2HD LYS 5 -9.203 0.781 15.150 40 HD3 LYS 5 1HD LYS 5 -10.620 0.188 14.282 41 HE2 LYS 5 2HE LYS 5 -8.497 -1.525 15.571 42 HE3 LYS 5 1HE LYS 5 -10.096 -1.196 16.238 43 HZ1 LYS 5 1HZ LYS 5 -11.122 -2.463 14.615 44 HZ2 LYS 5 2HZ LYS 5 -9.726 -3.360 14.943 45 HZ3 LYS 5 3HZ LYS 5 -9.803 -2.391 13.558 46 H ALA 6 H ALA 6 -9.441 -1.846 9.292 47 HA ALA 6 HA ALA 6 -6.994 -3.264 9.872 48 HB1 ALA 6 1HB ALA 6 -9.223 -3.961 7.962 49 HB2 ALA 6 2HB ALA 6 -9.121 -4.465 9.649 50 HB3 ALA 6 3HB ALA 6 -7.924 -5.034 8.485 51 H LEU 7 H LEU 7 -8.216 -1.202 7.366 52 HA LEU 7 HA LEU 7 -6.542 -1.995 5.246 53 HB2 LEU 7 2HB LEU 7 -8.590 -0.277 5.461 54 HB3 LEU 7 1HB LEU 7 -7.265 0.870 5.511 55 HG LEU 7 HG LEU 7 -7.779 -1.117 3.298 56 HD11 LEU 7 1HD1 LEU 7 -8.092 1.114 2.034 57 HD12 LEU 7 2HD1 LEU 7 -8.381 1.794 3.635 58 HD13 LEU 7 3HD1 LEU 7 -9.415 0.503 3.026 59 HD21 LEU 7 1HD2 LEU 7 -6.048 0.637 2.260 60 HD22 LEU 7 2HD2 LEU 7 -5.543 -0.851 3.060 61 HD23 LEU 7 3HD2 LEU 7 -5.519 0.676 3.942 62 H GLU 8 H GLU 8 -6.002 0.038 8.029 63 HA GLU 8 HA GLU 8 -3.626 1.284 7.069 64 HB2 GLU 8 2HB GLU 8 -4.871 0.980 9.788 65 HB3 GLU 8 1HB GLU 8 -3.290 1.725 9.589 66 HG2 GLU 8 2HG GLU 8 -4.218 3.455 8.210 67 HG3 GLU 8 1HG GLU 8 -5.794 2.663 8.209 68 H GLU 9 H GLU 9 -4.315 -1.668 8.831 69 HA GLU 9 HA GLU 9 -1.575 -2.184 9.509 70 HB2 GLU 9 2HB GLU 9 -2.354 -4.269 10.397 71 HB3 GLU 9 1HB GLU 9 -3.518 -3.027 10.830 72 HG2 GLU 9 2HG GLU 9 -5.162 -3.936 9.589 73 HG3 GLU 9 1HG GLU 9 -4.060 -4.493 8.331 74 H LYS 10 H LYS 10 -3.522 -2.692 6.735 75 HA LYS 10 HA LYS 10 -2.188 -4.962 5.674 76 HB2 LYS 10 2HB LYS 10 -4.309 -3.173 4.888 77 HB3 LYS 10 1HB LYS 10 -3.233 -3.470 3.532 78 HG2 LYS 10 2HG LYS 10 -4.978 -5.082 3.453 79 HG3 LYS 10 1HG LYS 10 -3.501 -5.914 3.943 80 HD2 LYS 10 2HD LYS 10 -5.046 -4.884 6.195 81 HD3 LYS 10 1HD LYS 10 -5.933 -6.060 5.221 82 HE2 LYS 10 2HE LYS 10 -3.510 -7.264 5.422 83 HE3 LYS 10 1HE LYS 10 -3.594 -6.419 6.968 84 HZ1 LYS 10 1HZ LYS 10 -4.554 -8.507 7.333 85 HZ2 LYS 10 2HZ LYS 10 -5.448 -8.463 5.899 86 HZ3 LYS 10 3HZ LYS 10 -5.873 -7.457 7.192 87 H VAL 11 H VAL 11 -1.840 -1.474 5.116 88 HA VAL 11 HA VAL 11 0.304 -1.830 3.243 89 HB VAL 11 HB VAL 11 -0.498 0.723 4.638 90 HG11 VAL 11 1HG1 VAL 11 0.349 1.446 2.185 91 HG12 VAL 11 2HG1 VAL 11 1.363 0.030 2.461 92 HG13 VAL 11 3HG1 VAL 11 1.396 1.374 3.602 93 HG21 VAL 11 1HG2 VAL 11 -2.291 0.950 3.319 94 HG22 VAL 11 2HG2 VAL 11 -2.154 -0.788 3.057 95 HG23 VAL 11 3HG2 VAL 11 -1.440 0.337 1.902 96 H LYS 12 H LYS 12 0.046 -1.295 6.652 97 HA LYS 12 HA LYS 12 2.656 -0.360 7.151 98 HB2 LYS 12 2HB LYS 12 0.378 -1.026 8.686 99 HB3 LYS 12 1HB LYS 12 1.698 -1.997 9.321 100 HG2 LYS 12 2HG LYS 12 2.697 0.616 8.933 101 HG3 LYS 12 1HG LYS 12 1.136 0.761 9.742 102 HD2 LYS 12 2HD LYS 12 3.278 -1.138 10.670 103 HD3 LYS 12 1HD LYS 12 3.169 0.528 11.241 104 HE2 LYS 12 2HE LYS 12 0.957 -1.512 11.447 105 HE3 LYS 12 1HE LYS 12 2.074 -1.107 12.750 106 HZ1 LYS 12 1HZ LYS 12 -0.190 0.388 11.716 107 HZ2 LYS 12 2HZ LYS 12 1.174 1.310 12.104 108 HZ3 LYS 12 3HZ LYS 12 0.450 0.335 13.281 109 H ALA 13 H ALA 13 1.292 -3.562 6.773 110 HA ALA 13 HA ALA 13 3.754 -4.905 7.502 111 HB1 ALA 13 1HB ALA 13 2.582 -6.953 6.936 112 HB2 ALA 13 2HB ALA 13 1.267 -6.030 6.209 113 HB3 ALA 13 3HB ALA 13 1.554 -5.937 7.946 114 H LEU 14 H LEU 14 2.175 -3.679 4.710 115 HA LEU 14 HA LEU 14 3.477 -5.121 2.678 116 HB2 LEU 14 2HB LEU 14 1.413 -3.529 2.669 117 HB3 LEU 14 1HB LEU 14 2.596 -2.268 2.395 118 HG LEU 14 HG LEU 14 2.389 -4.692 0.618 119 HD11 LEU 14 1HD1 LEU 14 0.331 -2.935 0.954 120 HD12 LEU 14 2HD1 LEU 14 0.652 -3.852 -0.518 121 HD13 LEU 14 3HD1 LEU 14 1.231 -2.194 -0.370 122 HD21 LEU 14 1HD2 LEU 14 3.299 -2.851 -0.986 123 HD22 LEU 14 2HD2 LEU 14 4.391 -3.662 0.135 124 HD23 LEU 14 3HD2 LEU 14 3.777 -2.052 0.511 125 H GLU 15 H GLU 15 4.471 -2.486 4.693 126 HA GLU 15 HA GLU 15 6.614 -1.595 3.012 127 HB2 GLU 15 2HB GLU 15 5.619 0.008 4.486 128 HB3 GLU 15 1HB GLU 15 5.870 -1.028 5.883 129 HG2 GLU 15 2HG GLU 15 8.268 -0.716 5.716 130 HG3 GLU 15 1HG GLU 15 8.059 0.252 4.258 131 H GLU 16 H GLU 16 6.362 -3.554 5.963 132 HA GLU 16 HA GLU 16 9.041 -3.969 6.486 133 HB2 GLU 16 2HB GLU 16 6.856 -6.039 6.762 134 HB3 GLU 16 1HB GLU 16 8.378 -6.000 7.641 135 HG2 GLU 16 2HG GLU 16 7.368 -3.569 8.263 136 HG3 GLU 16 1HG GLU 16 5.891 -4.517 8.097 137 H LYS 17 H LYS 17 7.085 -5.263 3.931 138 HA LYS 17 HA LYS 17 8.858 -7.404 3.236 139 HB2 LYS 17 2HB LYS 17 6.275 -6.912 2.673 140 HB3 LYS 17 1HB LYS 17 7.008 -6.296 1.200 141 HG2 LYS 17 2HG LYS 17 6.892 -8.396 0.469 142 HG3 LYS 17 1HG LYS 17 8.278 -8.699 1.519 143 HD2 LYS 17 2HD LYS 17 6.218 -8.926 3.278 144 HD3 LYS 17 1HD LYS 17 5.473 -9.532 1.798 145 HE2 LYS 17 2HE LYS 17 8.140 -10.494 2.805 146 HE3 LYS 17 1HE LYS 17 6.615 -11.252 3.261 147 HZ1 LYS 17 1HZ LYS 17 7.063 -10.858 0.413 148 HZ2 LYS 17 2HZ LYS 17 6.358 -12.161 1.228 149 HZ3 LYS 17 3HZ LYS 17 8.041 -12.015 1.167 150 H VAL 18 H VAL 18 8.167 -4.196 1.861 151 HA VAL 18 HA VAL 18 10.141 -4.385 -0.178 152 HB VAL 18 HB VAL 18 9.131 -1.787 0.914 153 HG11 VAL 18 1HG1 VAL 18 10.916 -2.016 -0.917 154 HG12 VAL 18 2HG1 VAL 18 9.560 -0.927 -1.208 155 HG13 VAL 18 3HG1 VAL 18 9.585 -2.526 -1.954 156 HG21 VAL 18 1HG2 VAL 18 7.067 -2.737 0.673 157 HG22 VAL 18 2HG2 VAL 18 7.619 -3.888 -0.544 158 HG23 VAL 18 3HG2 VAL 18 7.336 -2.205 -0.987 159 H LYS 19 H LYS 19 10.030 -2.463 2.821 160 HA LYS 19 HA LYS 19 12.585 -1.412 2.691 161 HB2 LYS 19 2HB LYS 19 10.754 -2.050 4.978 162 HB3 LYS 19 1HB LYS 19 12.372 -1.440 5.289 163 HG2 LYS 19 2HG LYS 19 11.254 0.232 3.322 164 HG3 LYS 19 1HG LYS 19 10.012 -0.009 4.552 165 HD2 LYS 19 2HD LYS 19 11.097 1.269 6.031 166 HD3 LYS 19 1HD LYS 19 12.634 0.462 5.712 167 HE2 LYS 19 2HE LYS 19 12.448 1.881 3.465 168 HE3 LYS 19 1HE LYS 19 11.487 2.922 4.515 169 HZ1 LYS 19 1HZ LYS 19 13.899 3.462 4.433 170 HZ2 LYS 19 2HZ LYS 19 14.219 1.985 5.193 171 HZ3 LYS 19 3HZ LYS 19 13.312 3.169 5.993 172 H ALA 20 H ALA 20 11.626 -4.649 3.337 173 HA ALA 20 HA ALA 20 14.155 -5.340 4.602 174 HB1 ALA 20 1HB ALA 20 13.198 -7.552 4.892 175 HB2 ALA 20 2HB ALA 20 11.802 -7.094 3.915 176 HB3 ALA 20 3HB ALA 20 12.083 -6.315 5.472 177 H LEU 21 H LEU 21 12.803 -5.226 1.466 178 HA LEU 21 HA LEU 21 14.706 -7.214 0.458 179 HB2 LEU 21 2HB LEU 21 13.408 -7.419 -1.456 180 HB3 LEU 21 1HB LEU 21 12.223 -7.206 -0.183 181 HG LEU 21 HG LEU 21 12.326 -4.688 -0.886 182 HD11 LEU 21 1HD1 LEU 21 13.945 -4.452 -2.457 183 HD12 LEU 21 2HD1 LEU 21 12.587 -4.826 -3.518 184 HD13 LEU 21 3HD1 LEU 21 13.737 -6.088 -3.081 185 HD21 LEU 21 1HD2 LEU 21 10.387 -6.212 -1.083 186 HD22 LEU 21 2HD2 LEU 21 10.990 -6.725 -2.660 187 HD23 LEU 21 3HD2 LEU 21 10.495 -5.052 -2.407 188 H GLY 22 H GLY 22 13.853 -3.807 0.221 189 HA2 GLY 22 2HA GLY 22 15.748 -2.261 -0.017 190 HA3 GLY 22 1HA GLY 22 16.403 -3.372 -1.211 191 H GLY 23 H GLY 23 16.516 -1.883 -2.867 192 HA2 GLY 23 2HA GLY 23 13.940 -1.265 -4.112 193 HA3 GLY 23 1HA GLY 23 15.012 0.082 -3.761 194 H GLY 24 H GLY 24 14.075 -0.690 -6.348 195 HA2 GLY 24 2HA GLY 24 15.947 -0.235 -8.095 196 HA3 GLY 24 1HA GLY 24 16.463 -1.844 -7.612 197 H GLY 25 H GLY 25 15.005 -0.322 -10.021 198 HA2 GLY 25 2HA GLY 25 13.717 -1.041 -11.781 199 HA3 GLY 25 1HA GLY 25 13.874 -2.666 -11.129 200 H ARG 26 H ARG 26 11.900 -3.515 -11.027 201 HA ARG 26 HA ARG 26 9.494 -2.160 -10.899 202 HB2 ARG 26 2HB ARG 26 8.451 -4.244 -10.459 203 HB3 ARG 26 1HB ARG 26 9.859 -4.604 -11.449 204 HG2 ARG 26 2HG ARG 26 9.772 -4.869 -8.451 205 HG3 ARG 26 1HG ARG 26 9.517 -6.197 -9.585 206 HD2 ARG 26 2HD ARG 26 11.810 -5.440 -10.558 207 HD3 ARG 26 1HD ARG 26 12.004 -4.651 -8.996 208 HE ARG 26 HE ARG 26 12.236 -6.716 -7.999 209 HH11 ARG 26 1HH1 ARG 26 11.206 -7.120 -11.312 210 HH12 ARG 26 2HH1 ARG 26 11.524 -8.821 -11.333 211 HH21 ARG 26 1HH2 ARG 26 12.654 -8.954 -8.029 212 HH22 ARG 26 2HH2 ARG 26 12.345 -9.863 -9.470 213 H ILE 27 H ILE 27 11.695 -2.967 -8.338 214 HA ILE 27 HA ILE 27 9.887 -2.693 -6.180 215 HB ILE 27 HB ILE 27 12.874 -2.265 -6.121 216 HG12 ILE 27 2HG1 ILE 27 11.522 -4.831 -5.367 217 HG13 ILE 27 1HG1 ILE 27 11.868 -4.501 -7.061 218 HG21 ILE 27 1HG2 ILE 27 12.694 -2.847 -3.769 219 HG22 ILE 27 2HG2 ILE 27 10.950 -3.053 -3.936 220 HG23 ILE 27 3HG2 ILE 27 11.673 -1.457 -4.139 221 HD11 ILE 27 1HD1 ILE 27 14.101 -4.741 -6.790 222 HD12 ILE 27 2HD1 ILE 27 13.557 -5.786 -5.478 223 HD13 ILE 27 3HD1 ILE 27 14.080 -4.137 -5.134 224 H GLU 28 H GLU 28 11.749 -0.409 -8.053 225 HA GLU 28 HA GLU 28 11.699 1.758 -6.257 226 HB2 GLU 28 2HB GLU 28 12.150 1.426 -9.175 227 HB3 GLU 28 1HB GLU 28 11.768 3.043 -8.602 228 HG2 GLU 28 2HG GLU 28 13.645 2.541 -6.853 229 HG3 GLU 28 1HG GLU 28 14.150 1.348 -8.047 230 H GLU 29 H GLU 29 9.592 1.126 -9.076 231 HA GLU 29 HA GLU 29 7.856 3.266 -8.713 232 HB2 GLU 29 2HB GLU 29 7.824 1.978 -10.753 233 HB3 GLU 29 1HB GLU 29 7.335 0.530 -9.885 234 HG2 GLU 29 2HG GLU 29 5.194 1.051 -10.096 235 HG3 GLU 29 1HG GLU 29 5.461 2.648 -9.397 236 H LEU 30 H LEU 30 8.048 0.251 -7.015 237 HA LEU 30 HA LEU 30 5.422 0.443 -5.860 238 HB2 LEU 30 2HB LEU 30 7.743 -1.341 -5.140 239 HB3 LEU 30 1HB LEU 30 6.106 -1.508 -4.534 240 HG LEU 30 HG LEU 30 6.817 -1.699 -7.455 241 HD11 LEU 30 1HD1 LEU 30 6.078 -4.131 -5.973 242 HD12 LEU 30 2HD1 LEU 30 7.679 -3.481 -5.627 243 HD13 LEU 30 3HD1 LEU 30 7.238 -3.904 -7.281 244 HD21 LEU 30 1HD2 LEU 30 4.640 -2.419 -7.809 245 HD22 LEU 30 2HD2 LEU 30 4.447 -1.122 -6.630 246 HD23 LEU 30 3HD2 LEU 30 4.386 -2.805 -6.106 247 H LYS 31 H LYS 31 8.553 1.647 -5.093 248 HA LYS 31 HA LYS 31 8.162 1.898 -2.273 249 HB2 LYS 31 2HB LYS 31 10.403 1.784 -3.201 250 HB3 LYS 31 1HB LYS 31 10.121 3.244 -4.141 251 HG2 LYS 31 2HG LYS 31 10.581 4.585 -2.416 252 HG3 LYS 31 1HG LYS 31 9.679 3.587 -1.274 253 HD2 LYS 31 2HD LYS 31 11.522 2.497 -0.597 254 HD3 LYS 31 1HD LYS 31 12.146 2.345 -2.242 255 HE2 LYS 31 2HE LYS 31 13.546 4.045 -1.935 256 HE3 LYS 31 1HE LYS 31 12.238 5.089 -1.379 257 HZ1 LYS 31 1HZ LYS 31 13.747 4.950 0.391 258 HZ2 LYS 31 2HZ LYS 31 13.935 3.277 0.233 259 HZ3 LYS 31 3HZ LYS 31 12.483 3.912 0.824 260 H LYS 32 H LYS 32 8.177 4.300 -4.917 261 HA LYS 32 HA LYS 32 7.503 6.529 -3.421 262 HB2 LYS 32 2HB LYS 32 7.218 5.761 -6.276 263 HB3 LYS 32 1HB LYS 32 6.308 7.160 -5.728 264 HG2 LYS 32 2HG LYS 32 8.681 7.793 -4.696 265 HG3 LYS 32 1HG LYS 32 9.224 6.796 -6.048 266 HD2 LYS 32 2HD LYS 32 7.481 8.268 -7.378 267 HD3 LYS 32 1HD LYS 32 7.782 9.402 -6.058 268 HE2 LYS 32 2HE LYS 32 9.356 10.013 -7.656 269 HE3 LYS 32 1HE LYS 32 10.272 8.984 -6.557 270 HZ1 LYS 32 1HZ LYS 32 10.430 8.633 -9.111 271 HZ2 LYS 32 2HZ LYS 32 8.983 7.780 -8.907 272 HZ3 LYS 32 3HZ LYS 32 10.376 7.292 -8.079 273 H LYS 33 H LYS 33 5.284 4.367 -5.174 274 HA LYS 33 HA LYS 33 2.927 5.665 -4.320 275 HB2 LYS 33 2HB LYS 33 3.532 3.704 -6.146 276 HB3 LYS 33 1HB LYS 33 2.640 2.818 -4.921 277 HG2 LYS 33 2HG LYS 33 0.997 4.889 -5.170 278 HG3 LYS 33 1HG LYS 33 1.725 4.929 -6.777 279 HD2 LYS 33 2HD LYS 33 -0.259 3.569 -6.856 280 HD3 LYS 33 1HD LYS 33 1.154 2.527 -7.038 281 HE2 LYS 33 2HE LYS 33 -0.655 1.684 -5.488 282 HE3 LYS 33 1HE LYS 33 0.976 1.734 -4.819 283 HZ1 LYS 33 1HZ LYS 33 -0.917 3.967 -4.421 284 HZ2 LYS 33 2HZ LYS 33 0.467 3.586 -3.528 285 HZ3 LYS 33 3HZ LYS 33 -0.917 2.623 -3.394 286 H CYS 34 H CYS 34 4.950 3.296 -2.802 287 HA CYS 34 HA CYS 34 3.120 2.081 -1.066 288 HB2 CYS 34 2HB CYS 34 5.884 2.009 -1.501 289 HB3 CYS 34 1HB CYS 34 5.710 2.479 0.180 290 H GLU 35 H GLU 35 5.363 4.762 -0.333 291 HA GLU 35 HA GLU 35 4.274 5.267 2.215 292 HB2 GLU 35 2HB GLU 35 5.540 7.463 2.010 293 HB3 GLU 35 1HB GLU 35 6.483 5.984 1.892 294 HG2 GLU 35 2HG GLU 35 7.158 6.456 -0.167 295 HG3 GLU 35 1HG GLU 35 5.531 6.894 -0.680 296 H GLU 36 H GLU 36 3.956 7.185 -0.785 297 HA GLU 36 HA GLU 36 2.276 9.144 0.102 298 HB2 GLU 36 2HB GLU 36 3.268 8.930 -2.196 299 HB3 GLU 36 1HB GLU 36 1.993 7.781 -2.576 300 HG2 GLU 36 2HG GLU 36 0.389 9.664 -1.858 301 HG3 GLU 36 1HG GLU 36 1.790 10.716 -2.055 302 H LEU 37 H LEU 37 1.531 5.819 -0.495 303 HA LEU 37 HA LEU 37 -1.286 6.039 -0.642 304 HB2 LEU 37 2HB LEU 37 -0.246 4.100 -1.530 305 HB3 LEU 37 1HB LEU 37 0.586 3.768 -0.028 306 HG LEU 37 HG LEU 37 -1.366 2.958 1.012 307 HD11 LEU 37 1HD1 LEU 37 -3.456 3.101 -0.814 308 HD12 LEU 37 2HD1 LEU 37 -2.713 4.699 -0.867 309 HD13 LEU 37 3HD1 LEU 37 -3.280 4.042 0.667 310 HD21 LEU 37 1HD2 LEU 37 -0.348 1.781 -1.233 311 HD22 LEU 37 2HD2 LEU 37 -2.075 1.818 -1.583 312 HD23 LEU 37 3HD2 LEU 37 -1.488 1.033 -0.117 313 H LYS 38 H LYS 38 0.963 5.512 2.029 314 HA LYS 38 HA LYS 38 -0.984 4.913 3.988 315 HB2 LYS 38 2HB LYS 38 1.877 5.400 3.901 316 HB3 LYS 38 1HB LYS 38 1.146 6.096 5.340 317 HG2 LYS 38 2HG LYS 38 0.699 4.088 6.249 318 HG3 LYS 38 1HG LYS 38 0.312 3.349 4.694 319 HD2 LYS 38 2HD LYS 38 2.283 2.282 5.422 320 HD3 LYS 38 1HD LYS 38 2.804 3.443 4.199 321 HE2 LYS 38 2HE LYS 38 4.340 3.677 5.961 322 HE3 LYS 38 1HE LYS 38 3.238 5.043 6.127 323 HZ1 LYS 38 1HZ LYS 38 1.988 3.560 7.748 324 HZ2 LYS 38 2HZ LYS 38 3.467 4.194 8.270 325 HZ3 LYS 38 3HZ LYS 38 3.371 2.584 7.761 326 H LYS 39 H LYS 39 0.842 7.937 3.473 327 HA LYS 39 HA LYS 39 -0.441 9.518 5.328 328 HB2 LYS 39 2HB LYS 39 0.292 11.439 3.995 329 HB3 LYS 39 1HB LYS 39 1.560 10.228 4.124 330 HG2 LYS 39 2HG LYS 39 0.772 9.385 1.860 331 HG3 LYS 39 1HG LYS 39 -0.158 10.881 1.754 332 HD2 LYS 39 2HD LYS 39 2.824 10.705 2.174 333 HD3 LYS 39 1HD LYS 39 2.029 11.058 0.638 334 HE2 LYS 39 2HE LYS 39 0.873 12.950 2.054 335 HE3 LYS 39 1HE LYS 39 2.291 12.745 3.080 336 HZ1 LYS 39 1HZ LYS 39 2.806 12.973 0.230 337 HZ2 LYS 39 2HZ LYS 39 3.644 13.640 1.540 338 HZ3 LYS 39 3HZ LYS 39 2.224 14.371 0.984 339 H LYS 40 H LYS 40 -1.578 8.465 2.213 340 HA LYS 40 HA LYS 40 -3.630 10.403 1.900 341 HB2 LYS 40 2HB LYS 40 -2.689 8.993 0.059 342 HB3 LYS 40 1HB LYS 40 -3.529 7.610 0.746 343 HG2 LYS 40 2HG LYS 40 -5.648 8.535 0.263 344 HG3 LYS 40 1HG LYS 40 -4.952 10.113 -0.110 345 HD2 LYS 40 2HD LYS 40 -3.649 8.814 -1.946 346 HD3 LYS 40 1HD LYS 40 -4.900 7.590 -1.720 347 HE2 LYS 40 2HE LYS 40 -5.478 10.489 -2.298 348 HE3 LYS 40 1HE LYS 40 -5.354 9.249 -3.545 349 HZ1 LYS 40 1HZ LYS 40 -7.334 8.367 -2.993 350 HZ2 LYS 40 2HZ LYS 40 -7.636 9.910 -2.365 351 HZ3 LYS 40 3HZ LYS 40 -7.147 8.660 -1.336 352 H ILE 41 H ILE 41 -3.378 7.460 3.719 353 HA ILE 41 HA ILE 41 -6.211 7.096 4.061 354 HB ILE 41 HB ILE 41 -4.086 5.934 5.849 355 HG12 ILE 41 2HG1 ILE 41 -4.957 4.972 3.116 356 HG13 ILE 41 1HG1 ILE 41 -3.342 5.487 3.589 357 HG21 ILE 41 1HG2 ILE 41 -6.454 4.404 4.976 358 HG22 ILE 41 2HG2 ILE 41 -6.755 5.776 6.042 359 HG23 ILE 41 3HG2 ILE 41 -5.669 4.484 6.552 360 HD11 ILE 41 1HD1 ILE 41 -3.501 3.067 3.423 361 HD12 ILE 41 2HD1 ILE 41 -4.786 3.062 4.632 362 HD13 ILE 41 3HD1 ILE 41 -3.157 3.571 5.076 363 H GLU 42 H GLU 42 -3.600 8.648 5.821 364 HA GLU 42 HA GLU 42 -5.032 9.103 8.226 365 HB2 GLU 42 2HB GLU 42 -2.525 10.172 7.004 366 HB3 GLU 42 1HB GLU 42 -3.234 11.044 8.357 367 HG2 GLU 42 2HG GLU 42 -3.276 8.605 9.403 368 HG3 GLU 42 1HG GLU 42 -1.937 8.386 8.278 369 H GLU 43 H GLU 43 -4.848 10.761 5.168 370 HA GLU 43 HA GLU 43 -6.075 13.180 6.121 371 HB2 GLU 43 2HB GLU 43 -5.948 13.954 3.896 372 HB3 GLU 43 1HB GLU 43 -4.501 12.988 4.127 373 HG2 GLU 43 2HG GLU 43 -5.021 11.763 2.370 374 HG3 GLU 43 1HG GLU 43 -6.542 11.292 3.120 375 H LEU 44 H LEU 44 -7.104 10.179 4.714 376 HA LEU 44 HA LEU 44 -9.672 10.862 3.856 377 HB2 LEU 44 2HB LEU 44 -8.247 8.381 4.586 378 HB3 LEU 44 1HB LEU 44 -9.995 8.295 4.673 379 HG LEU 44 HG LEU 44 -8.419 9.104 2.229 380 HD11 LEU 44 1HD1 LEU 44 -8.021 6.854 2.308 381 HD12 LEU 44 2HD1 LEU 44 -9.567 6.868 1.459 382 HD13 LEU 44 3HD1 LEU 44 -9.511 6.508 3.184 383 HD21 LEU 44 1HD2 LEU 44 -10.990 9.785 2.841 384 HD22 LEU 44 2HD2 LEU 44 -11.214 8.279 1.954 385 HD23 LEU 44 3HD2 LEU 44 -10.346 9.620 1.209 386 H GLY 45 H GLY 45 -11.724 10.019 4.906 387 HA2 GLY 45 2HA GLY 45 -11.668 10.160 7.830 388 HA3 GLY 45 1HA GLY 45 -12.618 11.367 6.976 389 H GLY 46 H GLY 46 -13.757 9.896 4.960 390 HA2 GLY 46 2HA GLY 46 -14.819 7.423 5.481 391 HA3 GLY 46 1HA GLY 46 -15.831 8.532 6.393 392 H GLY 47 H GLY 47 -17.322 7.338 4.747 393 HA2 GLY 47 2HA GLY 47 -18.939 8.320 3.237 394 HA3 GLY 47 1HA GLY 47 -17.614 9.159 2.446 395 H GLY 48 H GLY 48 -17.131 8.375 0.514 396 HA2 GLY 48 2HA GLY 48 -17.330 5.459 0.108 397 HA3 GLY 48 1HA GLY 48 -17.991 6.581 -1.070 398 H GLU 49 H GLU 49 -15.088 7.551 0.488 399 HA GLU 49 HA GLU 49 -13.641 7.177 -2.023 400 HB2 GLU 49 2HB GLU 49 -13.660 9.417 -0.982 401 HB3 GLU 49 1HB GLU 49 -12.875 8.751 0.443 402 HG2 GLU 49 2HG GLU 49 -10.855 8.753 -0.514 403 HG3 GLU 49 1HG GLU 49 -11.478 8.202 -2.069 404 H VAL 50 H VAL 50 -13.738 6.019 1.241 405 HA VAL 50 HA VAL 50 -11.181 5.048 1.629 406 HB VAL 50 HB VAL 50 -12.963 4.993 3.338 407 HG11 VAL 50 1HG1 VAL 50 -14.793 3.627 3.276 408 HG12 VAL 50 2HG1 VAL 50 -14.006 2.431 2.247 409 HG13 VAL 50 3HG1 VAL 50 -14.593 3.943 1.553 410 HG21 VAL 50 1HG2 VAL 50 -12.453 2.389 3.884 411 HG22 VAL 50 2HG2 VAL 50 -11.325 3.709 4.192 412 HG23 VAL 50 3HG2 VAL 50 -11.174 2.745 2.723 413 H LYS 51 H LYS 51 -13.723 3.810 -0.414 414 HA LYS 51 HA LYS 51 -12.655 1.219 -0.825 415 HB2 LYS 51 2HB LYS 51 -14.747 2.902 -2.064 416 HB3 LYS 51 1HB LYS 51 -14.061 1.655 -3.095 417 HG2 LYS 51 2HG LYS 51 -14.518 0.249 -0.827 418 HG3 LYS 51 1HG LYS 51 -15.833 1.422 -0.771 419 HD2 LYS 51 2HD LYS 51 -15.694 0.503 -3.430 420 HD3 LYS 51 1HD LYS 51 -15.560 -0.923 -2.401 421 HE2 LYS 51 2HE LYS 51 -17.623 1.042 -1.637 422 HE3 LYS 51 1HE LYS 51 -17.905 0.173 -3.144 423 HZ1 LYS 51 1HZ LYS 51 -17.789 -0.850 -0.401 424 HZ2 LYS 51 2HZ LYS 51 -17.277 -1.867 -1.652 425 HZ3 LYS 51 3HZ LYS 51 -18.852 -1.248 -1.657 426 H LYS 52 H LYS 52 -12.214 4.305 -2.476 427 HA LYS 52 HA LYS 52 -10.813 3.380 -4.717 428 HB2 LYS 52 2HB LYS 52 -11.637 5.626 -4.693 429 HB3 LYS 52 1HB LYS 52 -10.722 6.013 -3.243 430 HG2 LYS 52 2HG LYS 52 -9.664 7.024 -5.140 431 HG3 LYS 52 1HG LYS 52 -8.633 5.728 -4.530 432 HD2 LYS 52 2HD LYS 52 -9.112 4.332 -6.327 433 HD3 LYS 52 1HD LYS 52 -10.594 5.202 -6.732 434 HE2 LYS 52 2HE LYS 52 -8.163 6.830 -6.880 435 HE3 LYS 52 1HE LYS 52 -8.198 5.481 -8.016 436 HZ1 LYS 52 1HZ LYS 52 -10.637 7.045 -7.838 437 HZ2 LYS 52 2HZ LYS 52 -9.857 6.404 -9.195 438 HZ3 LYS 52 3HZ LYS 52 -9.305 7.848 -8.506 439 H VAL 53 H VAL 53 -9.484 4.775 -1.710 440 HA VAL 53 HA VAL 53 -6.795 4.317 -2.265 441 HB VAL 53 HB VAL 53 -8.028 4.210 0.489 442 HG11 VAL 53 1HG1 VAL 53 -5.288 4.432 -0.577 443 HG12 VAL 53 2HG1 VAL 53 -5.864 3.753 0.945 444 HG13 VAL 53 3HG1 VAL 53 -5.683 5.499 0.769 445 HG21 VAL 53 1HG2 VAL 53 -7.372 6.719 0.418 446 HG22 VAL 53 2HG2 VAL 53 -8.886 6.203 -0.325 447 HG23 VAL 53 3HG2 VAL 53 -7.472 6.520 -1.331 448 H GLU 54 H GLU 54 -9.269 2.114 -1.231 449 HA GLU 54 HA GLU 54 -7.616 0.094 -0.149 450 HB2 GLU 54 2HB GLU 54 -10.413 0.411 -0.870 451 HB3 GLU 54 1HB GLU 54 -9.826 -1.202 -1.251 452 HG2 GLU 54 2HG GLU 54 -8.819 -0.802 1.254 453 HG3 GLU 54 1HG GLU 54 -10.363 0.046 1.330 454 H GLU 55 H GLU 55 -8.747 0.791 -3.408 455 HA GLU 55 HA GLU 55 -7.728 -1.593 -4.585 456 HB2 GLU 55 2HB GLU 55 -9.534 -0.299 -5.622 457 HB3 GLU 55 1HB GLU 55 -8.441 1.059 -5.852 458 HG2 GLU 55 2HG GLU 55 -7.066 -0.893 -7.107 459 HG3 GLU 55 1HG GLU 55 -8.721 -1.430 -7.385 460 H GLU 56 H GLU 56 -6.397 1.518 -3.814 461 HA GLU 56 HA GLU 56 -4.139 1.401 -5.535 462 HB2 GLU 56 2HB GLU 56 -4.923 3.047 -3.161 463 HB3 GLU 56 1HB GLU 56 -3.266 3.111 -3.742 464 HG2 GLU 56 2HG GLU 56 -4.591 3.464 -6.056 465 HG3 GLU 56 1HG GLU 56 -5.732 4.187 -4.925 466 H VAL 57 H VAL 57 -4.854 0.141 -2.371 467 HA VAL 57 HA VAL 57 -2.096 -0.450 -1.737 468 HB VAL 57 HB VAL 57 -4.573 -1.459 -0.338 469 HG11 VAL 57 1HG1 VAL 57 -3.081 -1.727 1.576 470 HG12 VAL 57 2HG1 VAL 57 -1.725 -1.154 0.605 471 HG13 VAL 57 3HG1 VAL 57 -2.524 -2.673 0.195 472 HG21 VAL 57 1HG2 VAL 57 -3.147 0.733 0.942 473 HG22 VAL 57 2HG2 VAL 57 -4.875 0.515 0.664 474 HG23 VAL 57 3HG2 VAL 57 -3.857 1.189 -0.607 475 H LYS 58 H LYS 58 -4.786 -2.025 -3.233 476 HA LYS 58 HA LYS 58 -3.838 -4.701 -2.916 477 HB2 LYS 58 2HB LYS 58 -6.100 -3.344 -4.192 478 HB3 LYS 58 1HB LYS 58 -5.553 -4.777 -5.055 479 HG2 LYS 58 2HG LYS 58 -5.772 -5.215 -2.189 480 HG3 LYS 58 1HG LYS 58 -7.297 -4.723 -2.929 481 HD2 LYS 58 2HD LYS 58 -6.608 -6.522 -4.731 482 HD3 LYS 58 1HD LYS 58 -5.654 -7.165 -3.393 483 HE2 LYS 58 2HE LYS 58 -7.492 -8.187 -2.673 484 HE3 LYS 58 1HE LYS 58 -8.160 -6.599 -2.302 485 HZ1 LYS 58 1HZ LYS 58 -9.755 -7.272 -3.715 486 HZ2 LYS 58 2HZ LYS 58 -8.763 -8.394 -4.500 487 HZ3 LYS 58 3HZ LYS 58 -8.671 -6.754 -4.906 488 H LYS 59 H LYS 59 -3.339 -2.169 -5.258 489 HA LYS 59 HA LYS 59 -2.364 -3.856 -7.344 490 HB2 LYS 59 2HB LYS 59 -3.283 -1.678 -7.871 491 HB3 LYS 59 1HB LYS 59 -2.067 -0.885 -6.880 492 HG2 LYS 59 2HG LYS 59 -0.917 -2.586 -8.947 493 HG3 LYS 59 1HG LYS 59 -1.929 -1.290 -9.590 494 HD2 LYS 59 2HD LYS 59 0.239 -0.830 -7.549 495 HD3 LYS 59 1HD LYS 59 0.517 -0.730 -9.289 496 HE2 LYS 59 2HE LYS 59 -1.732 0.826 -8.899 497 HE3 LYS 59 1HE LYS 59 -0.738 1.175 -7.485 498 HZ1 LYS 59 1HZ LYS 59 -0.275 1.810 -10.280 499 HZ2 LYS 59 2HZ LYS 59 1.087 1.310 -9.411 500 HZ3 LYS 59 3HZ LYS 59 0.193 2.647 -8.886 501 H LEU 60 H LEU 60 -0.804 -1.957 -4.789 502 HA LEU 60 HA LEU 60 1.838 -2.562 -5.737 503 HB2 LEU 60 2HB LEU 60 0.938 -0.567 -4.257 504 HB3 LEU 60 1HB LEU 60 1.356 -1.653 -2.944 505 HG LEU 60 HG LEU 60 3.522 -1.539 -4.826 506 HD11 LEU 60 1HD1 LEU 60 2.556 1.108 -3.774 507 HD12 LEU 60 2HD1 LEU 60 2.709 0.625 -5.464 508 HD13 LEU 60 3HD1 LEU 60 4.149 0.816 -4.467 509 HD21 LEU 60 1HD2 LEU 60 4.618 -0.549 -2.696 510 HD22 LEU 60 2HD2 LEU 60 4.063 -2.223 -2.691 511 HD23 LEU 60 3HD2 LEU 60 3.087 -0.968 -1.927 512 H GLU 61 H GLU 61 -0.396 -4.051 -3.551 513 HA GLU 61 HA GLU 61 1.508 -5.590 -2.100 514 HB2 GLU 61 2HB GLU 61 -1.149 -5.040 -1.797 515 HB3 GLU 61 1HB GLU 61 -1.203 -6.700 -2.371 516 HG2 GLU 61 2HG GLU 61 0.595 -7.105 -0.537 517 HG3 GLU 61 1HG GLU 61 -0.031 -5.601 0.136 518 H GLU 62 H GLU 62 -0.468 -6.159 -4.960 519 HA GLU 62 HA GLU 62 0.331 -8.891 -5.264 520 HB2 GLU 62 2HB GLU 62 -1.722 -7.363 -6.231 521 HB3 GLU 62 1HB GLU 62 -0.683 -7.490 -7.642 522 HG2 GLU 62 2HG GLU 62 -0.671 -10.011 -7.146 523 HG3 GLU 62 1HG GLU 62 -2.059 -9.660 -6.116 524 H GLU 63 H GLU 63 1.542 -5.814 -6.314 525 HA GLU 63 HA GLU 63 3.075 -6.644 -8.522 526 HB2 GLU 63 2HB GLU 63 2.651 -4.250 -7.036 527 HB3 GLU 63 1HB GLU 63 4.384 -4.487 -7.192 528 HG2 GLU 63 2HG GLU 63 2.737 -4.837 -9.626 529 HG3 GLU 63 1HG GLU 63 2.944 -3.200 -9.004 530 H ILE 64 H ILE 64 4.155 -5.923 -5.205 531 HA ILE 64 HA ILE 64 6.777 -6.736 -5.417 532 HB ILE 64 HB ILE 64 5.061 -7.149 -2.966 533 HG12 ILE 64 2HG1 ILE 64 6.539 -4.666 -3.870 534 HG13 ILE 64 1HG1 ILE 64 4.790 -4.857 -3.826 535 HG21 ILE 64 1HG2 ILE 64 7.709 -7.792 -3.428 536 HG22 ILE 64 2HG2 ILE 64 6.935 -7.609 -1.855 537 HG23 ILE 64 3HG2 ILE 64 7.791 -6.248 -2.579 538 HD11 ILE 64 1HD1 ILE 64 6.016 -3.611 -1.912 539 HD12 ILE 64 2HD1 ILE 64 6.371 -5.238 -1.332 540 HD13 ILE 64 3HD1 ILE 64 4.698 -4.720 -1.536 541 H LYS 65 H LYS 65 3.902 -8.678 -5.222 542 HA LYS 65 HA LYS 65 4.972 -11.092 -4.308 543 HB2 LYS 65 2HB LYS 65 2.518 -10.186 -5.475 544 HB3 LYS 65 1HB LYS 65 2.998 -11.685 -6.259 545 HG2 LYS 65 2HG LYS 65 1.951 -12.668 -4.551 546 HG3 LYS 65 1HG LYS 65 3.415 -12.290 -3.642 547 HD2 LYS 65 2HD LYS 65 1.707 -9.997 -3.658 548 HD3 LYS 65 1HD LYS 65 0.774 -11.406 -3.153 549 HE2 LYS 65 2HE LYS 65 1.647 -10.612 -1.154 550 HE3 LYS 65 1HE LYS 65 2.774 -11.893 -1.598 551 HZ1 LYS 65 1HZ LYS 65 3.893 -9.859 -0.853 552 HZ2 LYS 65 2HZ LYS 65 3.198 -9.003 -2.135 553 HZ3 LYS 65 3HZ LYS 65 4.293 -10.252 -2.450 554 H LYS 66 H LYS 66 5.075 -9.568 -7.450 555 HA LYS 66 HA LYS 66 5.939 -11.856 -8.906 556 HB2 LYS 66 2HB LYS 66 5.672 -8.951 -9.418 557 HB3 LYS 66 1HB LYS 66 6.852 -9.802 -10.405 558 HG2 LYS 66 2HG LYS 66 4.759 -11.481 -10.623 559 HG3 LYS 66 1HG LYS 66 3.915 -9.945 -10.418 560 HD2 LYS 66 2HD LYS 66 6.091 -9.609 -12.254 561 HD3 LYS 66 1HD LYS 66 5.098 -10.977 -12.759 562 HE2 LYS 66 2HE LYS 66 4.024 -8.241 -12.088 563 HE3 LYS 66 1HE LYS 66 4.382 -8.797 -13.722 564 HZ1 LYS 66 1HZ LYS 66 2.615 -10.221 -13.724 565 HZ2 LYS 66 2HZ LYS 66 1.990 -9.003 -12.731 566 HZ3 LYS 66 3HZ LYS 66 2.607 -10.421 -12.044 567 H LEU 67 H LEU 67 7.703 -8.949 -7.822 568 HA LEU 67 HA LEU 67 10.254 -9.913 -8.491 569 HB2 LEU 67 2HB LEU 67 11.063 -8.096 -7.028 570 HB3 LEU 67 1HB LEU 67 9.872 -7.564 -8.194 571 HG LEU 67 HG LEU 67 8.215 -7.974 -6.172 572 HD11 LEU 67 1HD1 LEU 67 9.505 -7.072 -4.108 573 HD12 LEU 67 2HD1 LEU 67 10.918 -7.744 -4.922 574 HD13 LEU 67 3HD1 LEU 67 9.567 -8.793 -4.490 575 HD21 LEU 67 1HD2 LEU 67 8.371 -5.859 -7.225 576 HD22 LEU 67 2HD2 LEU 67 10.003 -5.596 -6.610 577 HD23 LEU 67 3HD2 LEU 67 8.631 -5.580 -5.503 578 H6 HTS 101 H6 HTS 68 8.093 3.621 3.541 579 H3 HTS 101 H3 HTS 68 7.880 -0.654 1.093 580 H4 HTS 101 H4 HTS 68 10.060 0.408 1.532 581 H5 HTS 101 H5 HTS 68 10.164 2.539 2.763 582 HO1 HTS 101 HO1 HTS 68 5.730 3.629 3.101 Start of MODEL 26 1 H1 GLY 1 1H GLY 1 -18.663 0.659 13.569 2 H2 GLY 1 2H GLY 1 -18.013 -0.878 13.293 3 H3 GLY 1 3H GLY 1 -17.338 0.474 12.533 4 HA2 GLY 1 1HA GLY 1 -17.142 1.206 15.098 5 HA3 GLY 1 2HA GLY 1 -16.946 -0.536 15.220 6 H SER 2 H SER 2 -15.687 -0.895 12.670 7 HA SER 2 HA SER 2 -13.345 0.764 12.574 8 HB2 SER 2 2HB SER 2 -12.983 -0.865 14.527 9 HB3 SER 2 1HB SER 2 -12.864 -2.123 13.298 10 HG SER 2 HG SER 2 -11.156 -0.881 12.354 11 H ARG 3 H ARG 3 -12.818 0.901 10.502 12 HA ARG 3 HA ARG 3 -13.011 -1.479 8.808 13 HB2 ARG 3 2HB ARG 3 -14.979 0.396 8.718 14 HB3 ARG 3 1HB ARG 3 -13.871 1.027 7.509 15 HG2 ARG 3 2HG ARG 3 -14.403 -1.847 7.293 16 HG3 ARG 3 1HG ARG 3 -15.807 -0.810 7.033 17 HD2 ARG 3 2HD ARG 3 -14.891 0.190 5.173 18 HD3 ARG 3 1HD ARG 3 -13.234 -0.138 5.682 19 HE ARG 3 HE ARG 3 -14.924 -1.829 4.105 20 HH11 ARG 3 1HH1 ARG 3 -12.255 -1.798 6.352 21 HH12 ARG 3 2HH1 ARG 3 -11.606 -3.304 5.795 22 HH21 ARG 3 1HH2 ARG 3 -14.074 -3.810 3.372 23 HH22 ARG 3 2HH2 ARG 3 -12.638 -4.447 4.102 24 H VAL 4 H VAL 4 -12.181 1.989 8.646 25 HA VAL 4 HA VAL 4 -10.110 1.584 6.733 26 HB VAL 4 HB VAL 4 -11.288 3.725 6.906 27 HG11 VAL 4 1HG1 VAL 4 -11.746 4.047 9.165 28 HG12 VAL 4 2HG1 VAL 4 -10.508 5.254 8.823 29 HG13 VAL 4 3HG1 VAL 4 -10.074 3.755 9.645 30 HG21 VAL 4 1HG2 VAL 4 -8.325 3.838 7.439 31 HG22 VAL 4 2HG2 VAL 4 -9.284 5.216 6.896 32 HG23 VAL 4 3HG2 VAL 4 -9.133 3.788 5.872 33 H LYS 5 H LYS 5 -10.251 1.587 10.212 34 HA LYS 5 HA LYS 5 -7.592 2.092 10.859 35 HB2 LYS 5 2HB LYS 5 -9.819 0.595 12.154 36 HB3 LYS 5 1HB LYS 5 -8.195 0.365 12.790 37 HG2 LYS 5 2HG LYS 5 -8.873 2.097 14.093 38 HG3 LYS 5 1HG LYS 5 -8.180 3.003 12.746 39 HD2 LYS 5 2HD LYS 5 -10.707 2.661 11.856 40 HD3 LYS 5 1HD LYS 5 -10.988 2.718 13.598 41 HE2 LYS 5 2HE LYS 5 -9.158 4.766 12.539 42 HE3 LYS 5 1HE LYS 5 -10.833 4.900 12.005 43 HZ1 LYS 5 1HZ LYS 5 -11.554 5.385 14.082 44 HZ2 LYS 5 2HZ LYS 5 -9.980 5.983 14.242 45 HZ3 LYS 5 3HZ LYS 5 -10.370 4.454 14.853 46 H ALA 6 H ALA 6 -9.148 -0.860 9.753 47 HA ALA 6 HA ALA 6 -6.863 -2.531 10.176 48 HB1 ALA 6 1HB ALA 6 -8.296 -3.952 8.421 49 HB2 ALA 6 2HB ALA 6 -9.550 -2.843 8.978 50 HB3 ALA 6 3HB ALA 6 -8.695 -3.862 10.137 51 H LEU 7 H LEU 7 -7.962 -0.441 7.643 52 HA LEU 7 HA LEU 7 -6.488 -1.561 5.499 53 HB2 LEU 7 2HB LEU 7 -8.394 0.353 5.715 54 HB3 LEU 7 1HB LEU 7 -6.970 1.352 5.495 55 HG LEU 7 HG LEU 7 -7.913 -0.809 3.611 56 HD11 LEU 7 1HD1 LEU 7 -8.860 0.791 2.314 57 HD12 LEU 7 2HD1 LEU 7 -7.723 2.038 2.826 58 HD13 LEU 7 3HD1 LEU 7 -9.061 1.579 3.880 59 HD21 LEU 7 1HD2 LEU 7 -6.119 0.596 2.206 60 HD22 LEU 7 2HD2 LEU 7 -5.701 -0.846 3.131 61 HD23 LEU 7 3HD2 LEU 7 -5.413 0.754 3.815 62 H GLU 8 H GLU 8 -5.670 0.607 8.096 63 HA GLU 8 HA GLU 8 -3.256 1.587 6.904 64 HB2 GLU 8 2HB GLU 8 -4.180 1.638 9.782 65 HB3 GLU 8 1HB GLU 8 -2.807 2.528 9.140 66 HG2 GLU 8 2HG GLU 8 -4.177 3.942 7.866 67 HG3 GLU 8 1HG GLU 8 -5.580 2.891 8.060 68 H GLU 9 H GLU 9 -4.104 -1.094 8.993 69 HA GLU 9 HA GLU 9 -1.395 -1.700 9.720 70 HB2 GLU 9 2HB GLU 9 -2.287 -3.619 10.832 71 HB3 GLU 9 1HB GLU 9 -3.387 -2.279 11.117 72 HG2 GLU 9 2HG GLU 9 -5.083 -3.366 10.194 73 HG3 GLU 9 1HG GLU 9 -4.138 -3.767 8.762 74 H LYS 10 H LYS 10 -3.466 -2.490 7.069 75 HA LYS 10 HA LYS 10 -2.227 -4.899 6.254 76 HB2 LYS 10 2HB LYS 10 -4.359 -3.262 5.381 77 HB3 LYS 10 1HB LYS 10 -3.274 -3.440 4.011 78 HG2 LYS 10 2HG LYS 10 -3.432 -6.000 4.961 79 HG3 LYS 10 1HG LYS 10 -5.056 -5.381 5.258 80 HD2 LYS 10 2HD LYS 10 -3.673 -5.061 2.608 81 HD3 LYS 10 1HD LYS 10 -4.636 -6.486 3.003 82 HE2 LYS 10 2HE LYS 10 -6.351 -5.307 2.170 83 HE3 LYS 10 1HE LYS 10 -6.320 -4.471 3.722 84 HZ1 LYS 10 1HZ LYS 10 -4.517 -3.057 2.405 85 HZ2 LYS 10 2HZ LYS 10 -6.166 -2.683 2.377 86 HZ3 LYS 10 3HZ LYS 10 -5.473 -3.543 1.096 87 H VAL 11 H VAL 11 -1.891 -1.584 4.991 88 HA VAL 11 HA VAL 11 0.269 -2.243 3.268 89 HB VAL 11 HB VAL 11 -0.434 0.507 4.296 90 HG11 VAL 11 1HG1 VAL 11 1.108 -0.505 1.923 91 HG12 VAL 11 2HG1 VAL 11 1.640 0.601 3.190 92 HG13 VAL 11 3HG1 VAL 11 0.455 1.132 1.998 93 HG21 VAL 11 1HG2 VAL 11 -2.242 0.607 2.977 94 HG22 VAL 11 2HG2 VAL 11 -2.170 -1.156 2.981 95 HG23 VAL 11 3HG2 VAL 11 -1.440 -0.246 1.657 96 H LYS 12 H LYS 12 0.067 -1.232 6.569 97 HA LYS 12 HA LYS 12 2.677 -0.275 6.949 98 HB2 LYS 12 2HB LYS 12 0.713 -0.112 8.560 99 HB3 LYS 12 1HB LYS 12 1.070 -1.771 9.020 100 HG2 LYS 12 2HG LYS 12 3.465 -0.857 9.452 101 HG3 LYS 12 1HG LYS 12 2.653 0.710 9.508 102 HD2 LYS 12 2HD LYS 12 2.355 0.218 11.683 103 HD3 LYS 12 1HD LYS 12 1.027 -0.782 11.091 104 HE2 LYS 12 2HE LYS 12 3.673 -2.063 11.052 105 HE3 LYS 12 1HE LYS 12 3.051 -1.681 12.657 106 HZ1 LYS 12 1HZ LYS 12 1.187 -3.025 12.327 107 HZ2 LYS 12 2HZ LYS 12 2.461 -3.933 11.685 108 HZ3 LYS 12 3HZ LYS 12 1.408 -3.104 10.651 109 H ALA 13 H ALA 13 1.338 -3.519 6.950 110 HA ALA 13 HA ALA 13 3.818 -4.745 7.804 111 HB1 ALA 13 1HB ALA 13 2.607 -6.877 7.211 112 HB2 ALA 13 2HB ALA 13 1.215 -5.880 6.785 113 HB3 ALA 13 3HB ALA 13 1.823 -5.884 8.441 114 H LEU 14 H LEU 14 2.270 -3.776 4.914 115 HA LEU 14 HA LEU 14 3.577 -5.411 3.027 116 HB2 LEU 14 2HB LEU 14 1.503 -3.834 2.875 117 HB3 LEU 14 1HB LEU 14 2.681 -2.606 2.469 118 HG LEU 14 HG LEU 14 2.897 -5.091 0.900 119 HD11 LEU 14 1HD1 LEU 14 0.673 -5.269 0.609 120 HD12 LEU 14 2HD1 LEU 14 0.916 -3.930 -0.511 121 HD13 LEU 14 3HD1 LEU 14 0.362 -3.614 1.135 122 HD21 LEU 14 1HD2 LEU 14 2.793 -3.183 -0.903 123 HD22 LEU 14 2HD2 LEU 14 4.241 -3.430 0.073 124 HD23 LEU 14 3HD2 LEU 14 3.104 -2.149 0.491 125 H GLU 15 H GLU 15 4.537 -2.595 4.794 126 HA GLU 15 HA GLU 15 6.603 -1.712 3.064 127 HB2 GLU 15 2HB GLU 15 5.724 -0.122 4.576 128 HB3 GLU 15 1HB GLU 15 5.927 -1.193 5.953 129 HG2 GLU 15 2HG GLU 15 8.223 -0.815 6.056 130 HG3 GLU 15 1HG GLU 15 8.288 -0.188 4.410 131 H GLU 16 H GLU 16 6.597 -3.696 6.016 132 HA GLU 16 HA GLU 16 9.301 -4.070 6.360 133 HB2 GLU 16 2HB GLU 16 7.068 -6.068 6.756 134 HB3 GLU 16 1HB GLU 16 8.704 -6.277 7.366 135 HG2 GLU 16 2HG GLU 16 7.859 -3.746 8.234 136 HG3 GLU 16 1HG GLU 16 6.509 -4.845 8.509 137 H LYS 17 H LYS 17 7.250 -5.362 3.877 138 HA LYS 17 HA LYS 17 9.031 -7.446 3.055 139 HB2 LYS 17 2HB LYS 17 6.518 -7.352 2.667 140 HB3 LYS 17 1HB LYS 17 6.855 -6.192 1.390 141 HG2 LYS 17 2HG LYS 17 7.003 -7.949 0.038 142 HG3 LYS 17 1HG LYS 17 8.563 -8.262 0.802 143 HD2 LYS 17 2HD LYS 17 6.752 -9.381 2.561 144 HD3 LYS 17 1HD LYS 17 6.064 -9.747 0.977 145 HE2 LYS 17 2HE LYS 17 8.543 -10.434 0.427 146 HE3 LYS 17 1HE LYS 17 8.650 -10.613 2.178 147 HZ1 LYS 17 1HZ LYS 17 7.095 -12.161 0.242 148 HZ2 LYS 17 2HZ LYS 17 6.439 -11.950 1.787 149 HZ3 LYS 17 3HZ LYS 17 7.952 -12.685 1.605 150 H VAL 18 H VAL 18 8.310 -4.173 1.890 151 HA VAL 18 HA VAL 18 10.183 -4.348 -0.280 152 HB VAL 18 HB VAL 18 9.126 -1.754 0.771 153 HG11 VAL 18 1HG1 VAL 18 9.433 -0.966 -1.396 154 HG12 VAL 18 2HG1 VAL 18 9.435 -2.589 -2.086 155 HG13 VAL 18 3HG1 VAL 18 10.818 -2.028 -1.146 156 HG21 VAL 18 1HG2 VAL 18 7.158 -2.116 -0.770 157 HG22 VAL 18 2HG2 VAL 18 7.147 -3.066 0.716 158 HG23 VAL 18 3HG2 VAL 18 7.611 -3.820 -0.809 159 H LYS 19 H LYS 19 10.145 -2.770 2.901 160 HA LYS 19 HA LYS 19 12.478 -1.328 2.757 161 HB2 LYS 19 2HB LYS 19 11.483 -2.911 5.135 162 HB3 LYS 19 1HB LYS 19 12.657 -1.603 5.200 163 HG2 LYS 19 2HG LYS 19 10.589 -0.390 3.930 164 HG3 LYS 19 1HG LYS 19 9.741 -1.514 4.992 165 HD2 LYS 19 2HD LYS 19 9.958 0.177 6.479 166 HD3 LYS 19 1HD LYS 19 11.554 -0.537 6.718 167 HE2 LYS 19 2HE LYS 19 12.150 1.065 4.688 168 HE3 LYS 19 1HE LYS 19 10.774 1.965 5.322 169 HZ1 LYS 19 1HZ LYS 19 11.867 2.479 7.229 170 HZ2 LYS 19 2HZ LYS 19 13.204 2.365 6.200 171 HZ3 LYS 19 3HZ LYS 19 12.811 1.075 7.221 172 H ALA 20 H ALA 20 12.056 -4.776 3.246 173 HA ALA 20 HA ALA 20 14.936 -5.186 3.533 174 HB1 ALA 20 1HB ALA 20 13.513 -6.454 5.022 175 HB2 ALA 20 2HB ALA 20 14.332 -7.550 3.909 176 HB3 ALA 20 3HB ALA 20 12.637 -7.135 3.651 177 H LEU 21 H LEU 21 12.646 -4.994 1.104 178 HA LEU 21 HA LEU 21 13.605 -6.976 -0.693 179 HB2 LEU 21 2HB LEU 21 11.324 -5.856 -0.645 180 HB3 LEU 21 1HB LEU 21 12.089 -4.470 -1.390 181 HG LEU 21 HG LEU 21 12.399 -5.566 -3.415 182 HD11 LEU 21 1HD1 LEU 21 13.452 -7.563 -3.046 183 HD12 LEU 21 2HD1 LEU 21 11.840 -8.140 -3.470 184 HD13 LEU 21 3HD1 LEU 21 12.325 -8.046 -1.777 185 HD21 LEU 21 1HD2 LEU 21 9.831 -6.008 -2.088 186 HD22 LEU 21 2HD2 LEU 21 10.114 -7.043 -3.487 187 HD23 LEU 21 3HD2 LEU 21 10.192 -5.289 -3.657 188 H GLY 22 H GLY 22 14.082 -3.459 -0.432 189 HA2 GLY 22 2HA GLY 22 16.312 -2.571 -0.835 190 HA3 GLY 22 1HA GLY 22 16.499 -3.780 -2.096 191 H GLY 23 H GLY 23 16.818 -2.560 -3.873 192 HA2 GLY 23 2HA GLY 23 14.548 -1.106 -4.911 193 HA3 GLY 23 1HA GLY 23 15.929 -0.088 -4.532 194 H GLY 24 H GLY 24 15.292 0.092 -7.030 195 HA2 GLY 24 2HA GLY 24 17.360 -0.327 -8.614 196 HA3 GLY 24 1HA GLY 24 16.686 -1.950 -8.588 197 H GLY 25 H GLY 25 14.422 -2.185 -9.301 198 HA2 GLY 25 2HA GLY 25 13.672 -0.098 -11.251 199 HA3 GLY 25 1HA GLY 25 13.645 -1.803 -11.674 200 H ARG 26 H ARG 26 12.034 -3.151 -10.791 201 HA ARG 26 HA ARG 26 9.504 -1.999 -10.558 202 HB2 ARG 26 2HB ARG 26 8.677 -4.169 -10.144 203 HB3 ARG 26 1HB ARG 26 10.087 -4.403 -11.167 204 HG2 ARG 26 2HG ARG 26 10.104 -4.688 -8.170 205 HG3 ARG 26 1HG ARG 26 9.902 -6.031 -9.300 206 HD2 ARG 26 2HD ARG 26 12.101 -5.159 -10.349 207 HD3 ARG 26 1HD ARG 26 12.298 -4.300 -8.822 208 HE ARG 26 HE ARG 26 11.790 -6.846 -8.051 209 HH11 ARG 26 1HH1 ARG 26 14.113 -5.409 -10.224 210 HH12 ARG 26 2HH1 ARG 26 15.305 -6.637 -9.961 211 HH21 ARG 26 1HH2 ARG 26 13.355 -8.461 -7.705 212 HH22 ARG 26 2HH2 ARG 26 14.875 -8.370 -8.532 213 H ILE 27 H ILE 27 11.928 -2.647 -8.162 214 HA ILE 27 HA ILE 27 10.211 -2.488 -5.896 215 HB ILE 27 HB ILE 27 13.199 -2.074 -6.034 216 HG12 ILE 27 2HG1 ILE 27 11.769 -4.589 -5.193 217 HG13 ILE 27 1HG1 ILE 27 12.212 -4.299 -6.872 218 HG21 ILE 27 1HG2 ILE 27 12.517 -1.214 -3.971 219 HG22 ILE 27 2HG2 ILE 27 12.996 -2.872 -3.607 220 HG23 ILE 27 3HG2 ILE 27 11.287 -2.460 -3.755 221 HD11 ILE 27 1HD1 ILE 27 13.814 -5.693 -5.547 222 HD12 ILE 27 2HD1 ILE 27 14.194 -4.243 -4.618 223 HD13 ILE 27 3HD1 ILE 27 14.519 -4.290 -6.351 224 H GLU 28 H GLU 28 11.967 -0.185 -7.833 225 HA GLU 28 HA GLU 28 11.966 1.973 -6.017 226 HB2 GLU 28 2HB GLU 28 12.321 1.677 -8.963 227 HB3 GLU 28 1HB GLU 28 12.043 3.287 -8.315 228 HG2 GLU 28 2HG GLU 28 14.063 1.800 -6.840 229 HG3 GLU 28 1HG GLU 28 14.470 2.031 -8.540 230 H GLU 29 H GLU 29 9.820 1.349 -8.810 231 HA GLU 29 HA GLU 29 8.090 3.497 -8.365 232 HB2 GLU 29 2HB GLU 29 8.060 2.329 -10.469 233 HB3 GLU 29 1HB GLU 29 7.601 0.824 -9.686 234 HG2 GLU 29 2HG GLU 29 5.442 1.324 -9.806 235 HG3 GLU 29 1HG GLU 29 5.704 2.920 -9.106 236 H LEU 30 H LEU 30 8.096 0.248 -7.031 237 HA LEU 30 HA LEU 30 5.527 0.408 -5.839 238 HB2 LEU 30 2HB LEU 30 7.889 -1.373 -5.269 239 HB3 LEU 30 1HB LEU 30 6.321 -1.564 -4.508 240 HG LEU 30 HG LEU 30 6.788 -1.723 -7.486 241 HD11 LEU 30 1HD1 LEU 30 7.218 -3.912 -7.330 242 HD12 LEU 30 2HD1 LEU 30 6.028 -4.154 -6.051 243 HD13 LEU 30 3HD1 LEU 30 7.641 -3.559 -5.656 244 HD21 LEU 30 1HD2 LEU 30 4.486 -1.095 -6.387 245 HD22 LEU 30 2HD2 LEU 30 4.413 -2.827 -6.068 246 HD23 LEU 30 3HD2 LEU 30 4.570 -2.241 -7.724 247 H LYS 31 H LYS 31 8.614 1.621 -4.915 248 HA LYS 31 HA LYS 31 8.107 1.736 -2.101 249 HB2 LYS 31 2HB LYS 31 10.386 1.670 -3.008 250 HB3 LYS 31 1HB LYS 31 10.128 3.227 -3.783 251 HG2 LYS 31 2HG LYS 31 10.568 4.353 -1.912 252 HG3 LYS 31 1HG LYS 31 9.574 3.278 -0.927 253 HD2 LYS 31 2HD LYS 31 12.111 2.140 -1.912 254 HD3 LYS 31 1HD LYS 31 12.262 3.443 -0.733 255 HE2 LYS 31 2HE LYS 31 10.959 2.255 0.866 256 HE3 LYS 31 1HE LYS 31 10.487 1.046 -0.328 257 HZ1 LYS 31 1HZ LYS 31 12.157 -0.089 0.644 258 HZ2 LYS 31 2HZ LYS 31 12.961 1.298 1.181 259 HZ3 LYS 31 3HZ LYS 31 13.120 0.798 -0.427 260 H LYS 32 H LYS 32 8.307 4.302 -4.583 261 HA LYS 32 HA LYS 32 7.507 6.418 -2.992 262 HB2 LYS 32 2HB LYS 32 7.158 5.924 -5.942 263 HB3 LYS 32 1HB LYS 32 6.701 7.441 -5.179 264 HG2 LYS 32 2HG LYS 32 9.063 7.615 -4.342 265 HG3 LYS 32 1HG LYS 32 9.447 6.236 -5.377 266 HD2 LYS 32 2HD LYS 32 8.189 8.785 -6.379 267 HD3 LYS 32 1HD LYS 32 9.928 8.481 -6.387 268 HE2 LYS 32 2HE LYS 32 8.819 6.217 -7.556 269 HE3 LYS 32 1HE LYS 32 7.874 7.554 -8.208 270 HZ1 LYS 32 1HZ LYS 32 10.010 8.633 -8.799 271 HZ2 LYS 32 2HZ LYS 32 9.735 7.182 -9.623 272 HZ3 LYS 32 3HZ LYS 32 10.821 7.224 -8.327 273 H LYS 33 H LYS 33 5.490 4.172 -4.846 274 HA LYS 33 HA LYS 33 3.042 5.501 -4.226 275 HB2 LYS 33 2HB LYS 33 3.830 3.531 -6.006 276 HB3 LYS 33 1HB LYS 33 2.779 2.675 -4.888 277 HG2 LYS 33 2HG LYS 33 1.325 4.918 -5.370 278 HG3 LYS 33 1HG LYS 33 2.138 4.683 -6.919 279 HD2 LYS 33 2HD LYS 33 0.037 3.517 -6.966 280 HD3 LYS 33 1HD LYS 33 1.341 2.329 -6.917 281 HE2 LYS 33 2HE LYS 33 0.112 1.417 -5.266 282 HE3 LYS 33 1HE LYS 33 0.874 2.662 -4.277 283 HZ1 LYS 33 1HZ LYS 33 -1.085 4.096 -4.853 284 HZ2 LYS 33 2HZ LYS 33 -1.426 2.775 -3.854 285 HZ3 LYS 33 3HZ LYS 33 -1.825 2.716 -5.495 286 H CYS 34 H CYS 34 4.971 3.118 -2.619 287 HA CYS 34 HA CYS 34 3.028 1.870 -1.024 288 HB2 CYS 34 2HB CYS 34 5.783 1.733 -1.341 289 HB3 CYS 34 1HB CYS 34 5.591 2.251 0.322 290 H GLU 35 H GLU 35 5.266 4.490 -0.116 291 HA GLU 35 HA GLU 35 4.060 4.979 2.379 292 HB2 GLU 35 2HB GLU 35 5.365 7.148 2.283 293 HB3 GLU 35 1HB GLU 35 6.298 5.666 2.146 294 HG2 GLU 35 2HG GLU 35 7.082 6.245 0.160 295 HG3 GLU 35 1HG GLU 35 5.468 6.612 -0.437 296 H GLU 36 H GLU 36 3.861 6.861 -0.649 297 HA GLU 36 HA GLU 36 2.185 8.865 0.171 298 HB2 GLU 36 2HB GLU 36 3.270 8.294 -2.172 299 HB3 GLU 36 1HB GLU 36 1.674 7.633 -2.498 300 HG2 GLU 36 2HG GLU 36 0.708 9.838 -1.857 301 HG3 GLU 36 1HG GLU 36 2.352 10.465 -1.752 302 H LEU 37 H LEU 37 1.423 5.541 -0.427 303 HA LEU 37 HA LEU 37 -1.396 5.825 -0.637 304 HB2 LEU 37 2HB LEU 37 -0.392 3.888 -1.565 305 HB3 LEU 37 1HB LEU 37 0.427 3.505 -0.068 306 HG LEU 37 HG LEU 37 -1.521 2.672 0.935 307 HD11 LEU 37 1HD1 LEU 37 -3.662 2.932 -0.774 308 HD12 LEU 37 2HD1 LEU 37 -2.867 4.502 -0.887 309 HD13 LEU 37 3HD1 LEU 37 -3.379 3.885 0.683 310 HD21 LEU 37 1HD2 LEU 37 -1.455 0.814 -0.271 311 HD22 LEU 37 2HD2 LEU 37 -0.693 1.706 -1.586 312 HD23 LEU 37 3HD2 LEU 37 -2.448 1.560 -1.522 313 H LYS 38 H LYS 38 0.810 5.175 2.043 314 HA LYS 38 HA LYS 38 -1.129 4.522 3.972 315 HB2 LYS 38 2HB LYS 38 1.719 5.306 3.987 316 HB3 LYS 38 1HB LYS 38 0.843 5.602 5.483 317 HG2 LYS 38 2HG LYS 38 0.113 3.023 4.708 318 HG3 LYS 38 1HG LYS 38 1.848 3.133 4.403 319 HD2 LYS 38 2HD LYS 38 1.670 4.317 6.840 320 HD3 LYS 38 1HD LYS 38 0.365 3.133 6.944 321 HE2 LYS 38 2HE LYS 38 1.923 1.632 7.476 322 HE3 LYS 38 1HE LYS 38 2.463 1.728 5.800 323 HZ1 LYS 38 1HZ LYS 38 4.244 2.988 6.350 324 HZ2 LYS 38 2HZ LYS 38 4.073 2.183 7.827 325 HZ3 LYS 38 3HZ LYS 38 3.470 3.753 7.645 326 H LYS 39 H LYS 39 0.600 7.620 3.548 327 HA LYS 39 HA LYS 39 -0.739 9.104 5.437 328 HB2 LYS 39 2HB LYS 39 0.001 11.069 4.269 329 HB3 LYS 39 1HB LYS 39 1.254 9.844 4.137 330 HG2 LYS 39 2HG LYS 39 -0.049 9.321 1.881 331 HG3 LYS 39 1HG LYS 39 -0.475 11.025 2.050 332 HD2 LYS 39 2HD LYS 39 2.318 9.880 2.036 333 HD3 LYS 39 1HD LYS 39 1.548 10.762 0.715 334 HE2 LYS 39 2HE LYS 39 2.054 12.732 1.625 335 HE3 LYS 39 1HE LYS 39 1.431 12.243 3.200 336 HZ1 LYS 39 1HZ LYS 39 3.855 12.814 3.115 337 HZ2 LYS 39 2HZ LYS 39 4.093 11.413 2.198 338 HZ3 LYS 39 3HZ LYS 39 3.497 11.298 3.776 339 H LYS 40 H LYS 40 -1.855 8.093 2.300 340 HA LYS 40 HA LYS 40 -3.983 9.960 2.058 341 HB2 LYS 40 2HB LYS 40 -2.850 8.250 0.334 342 HB3 LYS 40 1HB LYS 40 -4.237 7.276 0.805 343 HG2 LYS 40 2HG LYS 40 -5.263 9.823 0.299 344 HG3 LYS 40 1HG LYS 40 -4.095 9.519 -0.987 345 HD2 LYS 40 2HD LYS 40 -5.320 7.835 -1.884 346 HD3 LYS 40 1HD LYS 40 -5.916 7.290 -0.315 347 HE2 LYS 40 2HE LYS 40 -7.632 8.292 -1.887 348 HE3 LYS 40 1HE LYS 40 -7.581 8.956 -0.255 349 HZ1 LYS 40 1HZ LYS 40 -6.183 10.191 -2.561 350 HZ2 LYS 40 2HZ LYS 40 -6.432 10.862 -1.028 351 HZ3 LYS 40 3HZ LYS 40 -7.742 10.633 -2.073 352 H ILE 41 H ILE 41 -3.618 6.918 3.717 353 HA ILE 41 HA ILE 41 -6.427 6.470 4.098 354 HB ILE 41 HB ILE 41 -4.252 5.302 5.822 355 HG12 ILE 41 2HG1 ILE 41 -5.125 4.396 3.067 356 HG13 ILE 41 1HG1 ILE 41 -3.528 4.982 3.520 357 HG21 ILE 41 1HG2 ILE 41 -6.152 3.379 5.257 358 HG22 ILE 41 2HG2 ILE 41 -7.095 4.860 5.416 359 HG23 ILE 41 3HG2 ILE 41 -6.044 4.338 6.733 360 HD11 ILE 41 1HD1 ILE 41 -3.103 3.045 4.825 361 HD12 ILE 41 2HD1 ILE 41 -3.719 2.511 3.262 362 HD13 ILE 41 3HD1 ILE 41 -4.775 2.505 4.675 363 H GLU 42 H GLU 42 -3.869 8.114 5.821 364 HA GLU 42 HA GLU 42 -5.232 8.411 8.292 365 HB2 GLU 42 2HB GLU 42 -3.137 10.281 7.188 366 HB3 GLU 42 1HB GLU 42 -3.520 9.971 8.877 367 HG2 GLU 42 2HG GLU 42 -2.724 7.638 8.565 368 HG3 GLU 42 1HG GLU 42 -2.207 8.083 6.939 369 H GLU 43 H GLU 43 -5.218 10.183 5.284 370 HA GLU 43 HA GLU 43 -6.593 12.477 6.316 371 HB2 GLU 43 2HB GLU 43 -6.649 13.263 4.075 372 HB3 GLU 43 1HB GLU 43 -5.097 12.466 4.278 373 HG2 GLU 43 2HG GLU 43 -5.522 11.021 2.654 374 HG3 GLU 43 1HG GLU 43 -7.122 10.650 3.285 375 H LEU 44 H LEU 44 -7.470 9.418 4.943 376 HA LEU 44 HA LEU 44 -10.150 10.000 4.265 377 HB2 LEU 44 2HB LEU 44 -8.543 7.531 4.710 378 HB3 LEU 44 1HB LEU 44 -10.289 7.381 4.693 379 HG LEU 44 HG LEU 44 -8.649 8.557 2.448 380 HD11 LEU 44 1HD1 LEU 44 -9.551 5.798 3.055 381 HD12 LEU 44 2HD1 LEU 44 -8.100 6.361 2.227 382 HD13 LEU 44 3HD1 LEU 44 -9.648 6.346 1.382 383 HD21 LEU 44 1HD2 LEU 44 -11.576 7.887 2.701 384 HD22 LEU 44 2HD2 LEU 44 -10.773 8.278 1.180 385 HD23 LEU 44 3HD2 LEU 44 -10.860 9.481 2.466 386 H GLY 45 H GLY 45 -11.914 8.492 5.409 387 HA2 GLY 45 2HA GLY 45 -11.666 8.854 8.325 388 HA3 GLY 45 1HA GLY 45 -13.080 9.455 7.472 389 H GLY 46 H GLY 46 -14.337 7.811 6.228 390 HA2 GLY 46 2HA GLY 46 -14.032 5.042 6.808 391 HA3 GLY 46 1HA GLY 46 -15.234 5.765 7.866 392 H GLY 47 H GLY 47 -14.683 4.336 4.874 393 HA2 GLY 47 2HA GLY 47 -16.250 3.685 3.293 394 HA3 GLY 47 1HA GLY 47 -17.458 4.635 4.146 395 H GLY 48 H GLY 48 -17.533 4.687 1.460 396 HA2 GLY 48 2HA GLY 48 -17.830 6.321 -0.157 397 HA3 GLY 48 1HA GLY 48 -17.046 7.475 0.913 398 H GLU 49 H GLU 49 -15.012 8.076 0.477 399 HA GLU 49 HA GLU 49 -13.789 7.306 -1.949 400 HB2 GLU 49 2HB GLU 49 -13.468 9.517 -0.906 401 HB3 GLU 49 1HB GLU 49 -12.576 8.761 0.407 402 HG2 GLU 49 2HG GLU 49 -10.733 9.106 -0.765 403 HG3 GLU 49 1HG GLU 49 -11.303 7.880 -1.896 404 H VAL 50 H VAL 50 -13.591 6.056 1.268 405 HA VAL 50 HA VAL 50 -11.089 4.873 1.311 406 HB VAL 50 HB VAL 50 -13.592 3.606 2.424 407 HG11 VAL 50 1HG1 VAL 50 -11.581 2.203 2.468 408 HG12 VAL 50 2HG1 VAL 50 -12.090 2.667 4.091 409 HG13 VAL 50 3HG1 VAL 50 -10.718 3.475 3.332 410 HG21 VAL 50 1HG2 VAL 50 -12.594 4.926 4.524 411 HG22 VAL 50 2HG2 VAL 50 -13.802 5.621 3.444 412 HG23 VAL 50 3HG2 VAL 50 -12.099 6.027 3.240 413 H LYS 51 H LYS 51 -13.872 4.015 -0.561 414 HA LYS 51 HA LYS 51 -13.231 1.307 -1.065 415 HB2 LYS 51 2HB LYS 51 -15.105 3.307 -2.129 416 HB3 LYS 51 1HB LYS 51 -14.607 2.091 -3.297 417 HG2 LYS 51 2HG LYS 51 -16.370 0.986 -2.433 418 HG3 LYS 51 1HG LYS 51 -15.171 0.488 -1.237 419 HD2 LYS 51 2HD LYS 51 -15.957 1.999 0.358 420 HD3 LYS 51 1HD LYS 51 -16.786 2.984 -0.849 421 HE2 LYS 51 2HE LYS 51 -18.298 0.999 -1.244 422 HE3 LYS 51 1HE LYS 51 -17.575 0.271 0.189 423 HZ1 LYS 51 1HZ LYS 51 -18.237 2.589 1.210 424 HZ2 LYS 51 2HZ LYS 51 -19.342 1.311 1.131 425 HZ3 LYS 51 3HZ LYS 51 -19.397 2.547 -0.022 426 H LYS 52 H LYS 52 -12.314 4.328 -2.620 427 HA LYS 52 HA LYS 52 -11.073 3.132 -4.885 428 HB2 LYS 52 2HB LYS 52 -11.774 5.412 -5.053 429 HB3 LYS 52 1HB LYS 52 -10.841 5.869 -3.635 430 HG2 LYS 52 2HG LYS 52 -8.809 5.731 -4.780 431 HG3 LYS 52 1HG LYS 52 -9.518 4.803 -6.103 432 HD2 LYS 52 2HD LYS 52 -11.011 7.093 -6.148 433 HD3 LYS 52 1HD LYS 52 -9.424 7.698 -5.669 434 HE2 LYS 52 2HE LYS 52 -8.546 6.252 -7.624 435 HE3 LYS 52 1HE LYS 52 -10.223 6.254 -8.171 436 HZ1 LYS 52 1HZ LYS 52 -9.849 8.846 -7.709 437 HZ2 LYS 52 2HZ LYS 52 -9.564 8.120 -9.210 438 HZ3 LYS 52 3HZ LYS 52 -8.276 8.408 -8.152 439 H VAL 53 H VAL 53 -9.681 4.695 -1.994 440 HA VAL 53 HA VAL 53 -7.019 4.166 -2.436 441 HB VAL 53 HB VAL 53 -8.319 4.003 0.284 442 HG11 VAL 53 1HG1 VAL 53 -6.170 4.911 1.054 443 HG12 VAL 53 2HG1 VAL 53 -5.559 4.839 -0.599 444 HG13 VAL 53 3HG1 VAL 53 -5.981 3.352 0.251 445 HG21 VAL 53 1HG2 VAL 53 -7.674 6.515 0.278 446 HG22 VAL 53 2HG2 VAL 53 -9.168 6.008 -0.510 447 HG23 VAL 53 3HG2 VAL 53 -7.734 6.350 -1.476 448 H GLU 54 H GLU 54 -9.520 1.948 -1.493 449 HA GLU 54 HA GLU 54 -7.898 -0.096 -0.412 450 HB2 GLU 54 2HB GLU 54 -10.673 0.119 -1.439 451 HB3 GLU 54 1HB GLU 54 -9.977 -1.495 -1.399 452 HG2 GLU 54 2HG GLU 54 -9.321 -0.676 1.061 453 HG3 GLU 54 1HG GLU 54 -10.779 0.284 0.812 454 H GLU 55 H GLU 55 -8.781 0.791 -3.676 455 HA GLU 55 HA GLU 55 -7.763 -1.619 -4.868 456 HB2 GLU 55 2HB GLU 55 -9.559 -0.383 -5.957 457 HB3 GLU 55 1HB GLU 55 -8.533 1.039 -6.088 458 HG2 GLU 55 2HG GLU 55 -7.274 -1.258 -7.289 459 HG3 GLU 55 1HG GLU 55 -8.875 -0.978 -7.970 460 H GLU 56 H GLU 56 -6.510 1.508 -4.014 461 HA GLU 56 HA GLU 56 -4.213 1.476 -5.678 462 HB2 GLU 56 2HB GLU 56 -5.071 3.018 -3.263 463 HB3 GLU 56 1HB GLU 56 -3.393 3.106 -3.774 464 HG2 GLU 56 2HG GLU 56 -4.480 3.616 -6.114 465 HG3 GLU 56 1HG GLU 56 -5.841 4.119 -5.112 466 H VAL 57 H VAL 57 -4.980 0.080 -2.591 467 HA VAL 57 HA VAL 57 -2.238 -0.538 -1.920 468 HB VAL 57 HB VAL 57 -4.757 -1.592 -0.628 469 HG11 VAL 57 1HG1 VAL 57 -3.183 -1.781 1.351 470 HG12 VAL 57 2HG1 VAL 57 -1.869 -1.532 0.201 471 HG13 VAL 57 3HG1 VAL 57 -2.934 -2.928 0.035 472 HG21 VAL 57 1HG2 VAL 57 -4.203 1.022 -0.762 473 HG22 VAL 57 2HG2 VAL 57 -3.213 0.594 0.634 474 HG23 VAL 57 3HG2 VAL 57 -4.945 0.272 0.650 475 H LYS 58 H LYS 58 -4.888 -2.032 -3.561 476 HA LYS 58 HA LYS 58 -3.977 -4.726 -3.344 477 HB2 LYS 58 2HB LYS 58 -6.183 -3.292 -4.611 478 HB3 LYS 58 1HB LYS 58 -5.592 -4.633 -5.584 479 HG2 LYS 58 2HG LYS 58 -6.412 -6.179 -4.185 480 HG3 LYS 58 1HG LYS 58 -5.976 -5.256 -2.745 481 HD2 LYS 58 2HD LYS 58 -7.984 -4.216 -2.640 482 HD3 LYS 58 1HD LYS 58 -8.149 -4.131 -4.396 483 HE2 LYS 58 2HE LYS 58 -8.354 -6.788 -4.038 484 HE3 LYS 58 1HE LYS 58 -9.012 -6.226 -2.503 485 HZ1 LYS 58 1HZ LYS 58 -10.467 -6.500 -4.706 486 HZ2 LYS 58 2HZ LYS 58 -10.004 -4.882 -4.878 487 HZ3 LYS 58 3HZ LYS 58 -10.831 -5.380 -3.490 488 H LYS 59 H LYS 59 -3.321 -2.085 -5.525 489 HA LYS 59 HA LYS 59 -2.267 -3.691 -7.640 490 HB2 LYS 59 2HB LYS 59 -3.117 -1.481 -8.125 491 HB3 LYS 59 1HB LYS 59 -1.959 -0.749 -7.023 492 HG2 LYS 59 2HG LYS 59 -0.602 -2.339 -9.002 493 HG3 LYS 59 1HG LYS 59 -1.669 -1.162 -9.768 494 HD2 LYS 59 2HD LYS 59 0.136 -0.313 -7.537 495 HD3 LYS 59 1HD LYS 59 0.783 -0.498 -9.169 496 HE2 LYS 59 2HE LYS 59 0.158 1.773 -8.954 497 HE3 LYS 59 1HE LYS 59 -1.080 1.011 -9.951 498 HZ1 LYS 59 1HZ LYS 59 -2.518 0.876 -8.033 499 HZ2 LYS 59 2HZ LYS 59 -2.022 2.477 -8.257 500 HZ3 LYS 59 3HZ LYS 59 -1.321 1.540 -7.037 501 H LEU 60 H LEU 60 -0.816 -1.976 -4.895 502 HA LEU 60 HA LEU 60 1.863 -2.552 -5.754 503 HB2 LEU 60 2HB LEU 60 0.950 -0.639 -4.204 504 HB3 LEU 60 1HB LEU 60 1.219 -1.820 -2.934 505 HG LEU 60 HG LEU 60 3.531 -1.652 -4.652 506 HD11 LEU 60 1HD1 LEU 60 2.444 0.697 -4.836 507 HD12 LEU 60 2HD1 LEU 60 4.169 0.548 -4.506 508 HD13 LEU 60 3HD1 LEU 60 3.048 0.901 -3.191 509 HD21 LEU 60 1HD2 LEU 60 4.576 -1.032 -2.425 510 HD22 LEU 60 2HD2 LEU 60 3.760 -2.592 -2.513 511 HD23 LEU 60 3HD2 LEU 60 2.965 -1.223 -1.734 512 H GLU 61 H GLU 61 -0.497 -4.162 -3.796 513 HA GLU 61 HA GLU 61 1.283 -5.828 -2.347 514 HB2 GLU 61 2HB GLU 61 -1.407 -5.282 -2.269 515 HB3 GLU 61 1HB GLU 61 -1.381 -6.915 -2.910 516 HG2 GLU 61 2HG GLU 61 0.418 -6.950 -0.789 517 HG3 GLU 61 1HG GLU 61 -0.942 -5.977 -0.229 518 H GLU 62 H GLU 62 -0.622 -6.295 -5.298 519 HA GLU 62 HA GLU 62 0.267 -8.952 -5.767 520 HB2 GLU 62 2HB GLU 62 -1.776 -7.440 -6.706 521 HB3 GLU 62 1HB GLU 62 -0.667 -7.350 -8.068 522 HG2 GLU 62 2HG GLU 62 -0.573 -9.820 -8.094 523 HG3 GLU 62 1HG GLU 62 -1.775 -9.843 -6.806 524 H GLU 63 H GLU 63 1.496 -5.806 -6.568 525 HA GLU 63 HA GLU 63 3.125 -6.482 -8.754 526 HB2 GLU 63 2HB GLU 63 2.644 -4.200 -7.120 527 HB3 GLU 63 1HB GLU 63 4.383 -4.432 -7.215 528 HG2 GLU 63 2HG GLU 63 2.707 -4.496 -9.688 529 HG3 GLU 63 1HG GLU 63 3.197 -2.962 -8.971 530 H ILE 64 H ILE 64 4.078 -6.020 -5.351 531 HA ILE 64 HA ILE 64 6.701 -6.835 -5.514 532 HB ILE 64 HB ILE 64 4.859 -7.431 -3.191 533 HG12 ILE 64 2HG1 ILE 64 6.423 -4.914 -3.815 534 HG13 ILE 64 1HG1 ILE 64 4.672 -5.074 -3.854 535 HG21 ILE 64 1HG2 ILE 64 7.289 -6.746 -2.161 536 HG22 ILE 64 2HG2 ILE 64 7.749 -7.613 -3.626 537 HG23 ILE 64 3HG2 ILE 64 6.728 -8.398 -2.420 538 HD11 ILE 64 1HD1 ILE 64 5.587 -3.961 -1.822 539 HD12 ILE 64 2HD1 ILE 64 6.320 -5.504 -1.381 540 HD13 ILE 64 3HD1 ILE 64 4.565 -5.362 -1.500 541 H LYS 65 H LYS 65 3.807 -8.773 -5.552 542 HA LYS 65 HA LYS 65 4.872 -11.260 -4.834 543 HB2 LYS 65 2HB LYS 65 2.414 -10.253 -5.878 544 HB3 LYS 65 1HB LYS 65 2.884 -11.649 -6.838 545 HG2 LYS 65 2HG LYS 65 1.587 -12.555 -5.142 546 HG3 LYS 65 1HG LYS 65 3.240 -12.828 -4.588 547 HD2 LYS 65 2HD LYS 65 2.106 -10.262 -3.746 548 HD3 LYS 65 1HD LYS 65 1.250 -11.669 -3.113 549 HE2 LYS 65 2HE LYS 65 3.057 -12.395 -1.903 550 HE3 LYS 65 1HE LYS 65 4.223 -11.638 -2.986 551 HZ1 LYS 65 1HZ LYS 65 3.949 -10.599 -0.720 552 HZ2 LYS 65 2HZ LYS 65 2.433 -10.055 -1.239 553 HZ3 LYS 65 3HZ LYS 65 3.833 -9.543 -2.037 554 H LYS 66 H LYS 66 5.031 -9.465 -7.818 555 HA LYS 66 HA LYS 66 5.812 -11.621 -9.491 556 HB2 LYS 66 2HB LYS 66 6.308 -8.656 -9.810 557 HB3 LYS 66 1HB LYS 66 6.510 -9.864 -11.071 558 HG2 LYS 66 2HG LYS 66 3.968 -10.362 -10.380 559 HG3 LYS 66 1HG LYS 66 4.056 -8.642 -9.989 560 HD2 LYS 66 2HD LYS 66 4.235 -8.026 -12.155 561 HD3 LYS 66 1HD LYS 66 5.229 -9.422 -12.577 562 HE2 LYS 66 2HE LYS 66 2.432 -10.019 -11.875 563 HE3 LYS 66 1HE LYS 66 2.660 -9.090 -13.356 564 HZ1 LYS 66 1HZ LYS 66 3.707 -11.781 -12.712 565 HZ2 LYS 66 2HZ LYS 66 4.331 -10.859 -13.984 566 HZ3 LYS 66 3HZ LYS 66 2.706 -11.327 -13.998 567 H LEU 67 H LEU 67 7.591 -9.282 -7.540 568 HA LEU 67 HA LEU 67 10.129 -10.443 -8.386 569 HB2 LEU 67 2HB LEU 67 11.011 -8.585 -6.841 570 HB3 LEU 67 1HB LEU 67 10.325 -8.142 -8.389 571 HG LEU 67 HG LEU 67 8.523 -8.138 -6.022 572 HD11 LEU 67 1HD1 LEU 67 9.254 -6.071 -5.198 573 HD12 LEU 67 2HD1 LEU 67 10.326 -5.803 -6.572 574 HD13 LEU 67 3HD1 LEU 67 10.720 -7.034 -5.373 575 HD21 LEU 67 1HD2 LEU 67 8.451 -5.840 -7.748 576 HD22 LEU 67 2HD2 LEU 67 7.201 -7.040 -7.426 577 HD23 LEU 67 3HD2 LEU 67 8.389 -7.325 -8.697 578 H6 HTS 101 H6 HTS 68 8.020 3.386 3.683 579 H3 HTS 101 H3 HTS 68 7.692 -0.903 1.278 580 H4 HTS 101 H4 HTS 68 9.898 0.107 1.699 581 H5 HTS 101 H5 HTS 68 10.062 2.244 2.910 582 HO1 HTS 101 HO1 HTS 68 5.661 3.451 3.268 Start of MODEL 27 1 H1 GLY 1 1H GLY 1 -15.765 5.341 11.631 2 H2 GLY 1 2H GLY 1 -14.742 4.576 12.740 3 H3 GLY 1 3H GLY 1 -16.345 4.062 12.576 4 HA2 GLY 1 1HA GLY 1 -15.880 3.393 10.268 5 HA3 GLY 1 2HA GLY 1 -14.199 3.825 10.538 6 H SER 2 H SER 2 -15.036 1.266 9.751 7 HA SER 2 HA SER 2 -13.831 -0.295 11.850 8 HB2 SER 2 2HB SER 2 -16.665 -0.161 11.717 9 HB3 SER 2 1HB SER 2 -16.192 -1.760 11.144 10 HG SER 2 HG SER 2 -14.836 -1.816 13.106 11 H ARG 3 H ARG 3 -13.225 0.421 9.117 12 HA ARG 3 HA ARG 3 -12.887 -2.281 8.054 13 HB2 ARG 3 2HB ARG 3 -14.357 -0.053 6.745 14 HB3 ARG 3 1HB ARG 3 -13.306 -1.028 5.726 15 HG2 ARG 3 2HG ARG 3 -14.559 -3.026 6.848 16 HG3 ARG 3 1HG ARG 3 -15.787 -1.802 7.182 17 HD2 ARG 3 2HD ARG 3 -15.236 -1.304 4.569 18 HD3 ARG 3 1HD ARG 3 -14.992 -3.048 4.641 19 HE ARG 3 HE ARG 3 -17.416 -2.357 5.912 20 HH11 ARG 3 1HH1 ARG 3 -15.983 -2.607 2.740 21 HH12 ARG 3 2HH1 ARG 3 -17.490 -2.925 1.948 22 HH21 ARG 3 1HH2 ARG 3 -19.399 -2.775 4.872 23 HH22 ARG 3 2HH2 ARG 3 -19.429 -3.021 3.157 24 H VAL 4 H VAL 4 -12.181 1.142 7.344 25 HA VAL 4 HA VAL 4 -9.754 0.656 6.008 26 HB VAL 4 HB VAL 4 -10.983 2.773 5.800 27 HG11 VAL 4 1HG1 VAL 4 -11.667 2.958 8.166 28 HG12 VAL 4 2HG1 VAL 4 -10.944 4.442 7.544 29 HG13 VAL 4 3HG1 VAL 4 -10.006 3.374 8.588 30 HG21 VAL 4 1HG2 VAL 4 -9.091 4.224 5.712 31 HG22 VAL 4 2HG2 VAL 4 -8.530 2.598 5.322 32 HG23 VAL 4 3HG2 VAL 4 -8.233 3.274 6.924 33 H LYS 5 H LYS 5 -10.544 0.746 9.370 34 HA LYS 5 HA LYS 5 -8.128 1.481 10.526 35 HB2 LYS 5 2HB LYS 5 -10.345 -0.343 11.395 36 HB3 LYS 5 1HB LYS 5 -8.899 -0.179 12.380 37 HG2 LYS 5 2HG LYS 5 -9.357 1.996 12.941 38 HG3 LYS 5 1HG LYS 5 -10.325 2.280 11.493 39 HD2 LYS 5 2HD LYS 5 -12.217 1.535 12.464 40 HD3 LYS 5 1HD LYS 5 -11.387 0.223 13.303 41 HE2 LYS 5 2HE LYS 5 -12.311 1.818 14.893 42 HE3 LYS 5 1HE LYS 5 -10.550 1.816 14.960 43 HZ1 LYS 5 1HZ LYS 5 -10.878 3.752 13.231 44 HZ2 LYS 5 2HZ LYS 5 -10.938 4.038 14.897 45 HZ3 LYS 5 3HZ LYS 5 -12.372 3.896 14.013 46 H ALA 6 H ALA 6 -9.153 -1.634 9.231 47 HA ALA 6 HA ALA 6 -6.758 -2.985 10.090 48 HB1 ALA 6 1HB ALA 6 -8.410 -4.212 7.979 49 HB2 ALA 6 2HB ALA 6 -9.231 -3.870 9.502 50 HB3 ALA 6 3HB ALA 6 -7.795 -4.896 9.484 51 H LEU 7 H LEU 7 -7.809 -1.247 7.277 52 HA LEU 7 HA LEU 7 -6.023 -2.331 5.386 53 HB2 LEU 7 2HB LEU 7 -8.067 -0.623 5.213 54 HB3 LEU 7 1HB LEU 7 -6.759 0.543 5.225 55 HG LEU 7 HG LEU 7 -7.143 -1.690 3.231 56 HD11 LEU 7 1HD1 LEU 7 -7.685 -0.027 1.662 57 HD12 LEU 7 2HD1 LEU 7 -7.151 1.271 2.728 58 HD13 LEU 7 3HD1 LEU 7 -8.621 0.370 3.103 59 HD21 LEU 7 1HD2 LEU 7 -4.811 -1.459 3.510 60 HD22 LEU 7 2HD2 LEU 7 -4.919 0.299 3.602 61 HD23 LEU 7 3HD2 LEU 7 -5.222 -0.524 2.071 62 H GLU 8 H GLU 8 -5.607 -0.012 7.940 63 HA GLU 8 HA GLU 8 -3.177 1.122 6.950 64 HB2 GLU 8 2HB GLU 8 -4.436 1.124 9.695 65 HB3 GLU 8 1HB GLU 8 -2.968 2.005 9.294 66 HG2 GLU 8 2HG GLU 8 -4.121 3.425 7.794 67 HG3 GLU 8 1HG GLU 8 -5.566 2.417 7.845 68 H GLU 9 H GLU 9 -4.001 -1.585 9.015 69 HA GLU 9 HA GLU 9 -1.315 -2.021 9.924 70 HB2 GLU 9 2HB GLU 9 -2.172 -3.990 10.997 71 HB3 GLU 9 1HB GLU 9 -3.342 -2.696 11.214 72 HG2 GLU 9 2HG GLU 9 -4.934 -3.774 10.077 73 HG3 GLU 9 1HG GLU 9 -3.811 -4.352 8.848 74 H LYS 10 H LYS 10 -3.097 -2.861 7.115 75 HA LYS 10 HA LYS 10 -1.598 -5.208 6.439 76 HB2 LYS 10 2HB LYS 10 -3.845 -3.726 5.364 77 HB3 LYS 10 1HB LYS 10 -2.730 -4.200 4.090 78 HG2 LYS 10 2HG LYS 10 -3.215 -6.388 4.291 79 HG3 LYS 10 1HG LYS 10 -3.404 -6.298 6.043 80 HD2 LYS 10 2HD LYS 10 -5.457 -4.832 4.564 81 HD3 LYS 10 1HD LYS 10 -5.445 -6.564 4.228 82 HE2 LYS 10 2HE LYS 10 -5.552 -7.021 6.636 83 HE3 LYS 10 1HE LYS 10 -5.593 -5.287 6.956 84 HZ1 LYS 10 1HZ LYS 10 -7.800 -6.411 6.970 85 HZ2 LYS 10 2HZ LYS 10 -7.622 -6.692 5.311 86 HZ3 LYS 10 3HZ LYS 10 -7.692 -5.108 5.897 87 H VAL 11 H VAL 11 -1.527 -1.809 5.446 88 HA VAL 11 HA VAL 11 0.585 -2.194 3.563 89 HB VAL 11 HB VAL 11 -0.283 0.415 4.803 90 HG11 VAL 11 1HG1 VAL 11 1.841 -0.138 3.133 91 HG12 VAL 11 2HG1 VAL 11 1.095 1.442 3.376 92 HG13 VAL 11 3HG1 VAL 11 0.586 0.422 2.029 93 HG21 VAL 11 1HG2 VAL 11 -1.486 0.394 2.393 94 HG22 VAL 11 2HG2 VAL 11 -2.277 -0.110 3.887 95 HG23 VAL 11 3HG2 VAL 11 -1.582 -1.318 2.806 96 H LYS 12 H LYS 12 0.434 -1.443 6.943 97 HA LYS 12 HA LYS 12 3.004 -0.350 7.285 98 HB2 LYS 12 2HB LYS 12 0.963 -0.595 8.943 99 HB3 LYS 12 1HB LYS 12 1.783 -2.081 9.401 100 HG2 LYS 12 2HG LYS 12 3.192 0.567 9.368 101 HG3 LYS 12 1HG LYS 12 2.282 -0.001 10.769 102 HD2 LYS 12 2HD LYS 12 4.005 -1.253 11.408 103 HD3 LYS 12 1HD LYS 12 3.983 -2.107 9.865 104 HE2 LYS 12 2HE LYS 12 6.138 -1.205 10.003 105 HE3 LYS 12 1HE LYS 12 5.266 -0.100 8.940 106 HZ1 LYS 12 1HZ LYS 12 6.230 1.381 10.343 107 HZ2 LYS 12 2HZ LYS 12 6.243 0.324 11.663 108 HZ3 LYS 12 3HZ LYS 12 4.809 1.102 11.218 109 H ALA 13 H ALA 13 1.828 -3.653 7.138 110 HA ALA 13 HA ALA 13 4.411 -4.794 7.797 111 HB1 ALA 13 1HB ALA 13 1.705 -5.855 7.173 112 HB2 ALA 13 2HB ALA 13 2.809 -6.268 8.486 113 HB3 ALA 13 3HB ALA 13 3.089 -6.904 6.865 114 H LEU 14 H LEU 14 2.657 -3.748 5.064 115 HA LEU 14 HA LEU 14 3.914 -5.224 3.018 116 HB2 LEU 14 2HB LEU 14 1.764 -3.724 3.089 117 HB3 LEU 14 1HB LEU 14 2.869 -2.445 2.634 118 HG LEU 14 HG LEU 14 3.139 -4.823 0.955 119 HD11 LEU 14 1HD1 LEU 14 0.916 -3.997 -0.239 120 HD12 LEU 14 2HD1 LEU 14 0.466 -3.632 1.428 121 HD13 LEU 14 3HD1 LEU 14 0.913 -5.278 0.975 122 HD21 LEU 14 1HD2 LEU 14 4.099 -3.090 -0.108 123 HD22 LEU 14 2HD2 LEU 14 3.112 -1.894 0.733 124 HD23 LEU 14 3HD2 LEU 14 2.459 -2.754 -0.661 125 H GLU 15 H GLU 15 4.864 -2.458 4.871 126 HA GLU 15 HA GLU 15 6.817 -1.477 3.030 127 HB2 GLU 15 2HB GLU 15 5.869 0.104 4.529 128 HB3 GLU 15 1HB GLU 15 6.212 -0.902 5.929 129 HG2 GLU 15 2HG GLU 15 8.632 -0.537 5.533 130 HG3 GLU 15 1HG GLU 15 8.214 0.566 4.223 131 H GLU 16 H GLU 16 7.001 -3.266 6.110 132 HA GLU 16 HA GLU 16 9.741 -3.523 6.306 133 HB2 GLU 16 2HB GLU 16 9.321 -5.546 7.638 134 HB3 GLU 16 1HB GLU 16 8.228 -4.240 8.075 135 HG2 GLU 16 2HG GLU 16 6.393 -5.309 7.257 136 HG3 GLU 16 1HG GLU 16 7.314 -6.200 6.045 137 H LYS 17 H LYS 17 7.566 -5.096 4.113 138 HA LYS 17 HA LYS 17 9.353 -7.211 3.374 139 HB2 LYS 17 2HB LYS 17 6.661 -6.689 2.995 140 HB3 LYS 17 1HB LYS 17 7.339 -6.500 1.384 141 HG2 LYS 17 2HG LYS 17 8.368 -8.864 2.686 142 HG3 LYS 17 1HG LYS 17 6.605 -8.870 2.625 143 HD2 LYS 17 2HD LYS 17 8.023 -8.066 0.154 144 HD3 LYS 17 1HD LYS 17 8.139 -9.764 0.621 145 HE2 LYS 17 2HE LYS 17 6.258 -9.452 -0.864 146 HE3 LYS 17 1HE LYS 17 5.682 -9.870 0.749 147 HZ1 LYS 17 1HZ LYS 17 5.932 -7.034 0.074 148 HZ2 LYS 17 2HZ LYS 17 4.810 -7.810 1.074 149 HZ3 LYS 17 3HZ LYS 17 4.645 -7.896 -0.607 150 H VAL 18 H VAL 18 8.489 -4.053 2.030 151 HA VAL 18 HA VAL 18 10.192 -4.350 -0.263 152 HB VAL 18 HB VAL 18 9.092 -1.762 0.781 153 HG11 VAL 18 1HG1 VAL 18 9.580 -2.570 -2.067 154 HG12 VAL 18 2HG1 VAL 18 10.829 -1.832 -1.066 155 HG13 VAL 18 3HG1 VAL 18 9.340 -0.951 -1.410 156 HG21 VAL 18 1HG2 VAL 18 7.345 -3.599 0.537 157 HG22 VAL 18 2HG2 VAL 18 7.681 -3.536 -1.193 158 HG23 VAL 18 3HG2 VAL 18 7.061 -2.109 -0.363 159 H LYS 19 H LYS 19 10.302 -2.336 2.671 160 HA LYS 19 HA LYS 19 12.674 -1.030 2.261 161 HB2 LYS 19 2HB LYS 19 11.297 -1.995 4.737 162 HB3 LYS 19 1HB LYS 19 12.884 -1.251 4.864 163 HG2 LYS 19 2HG LYS 19 11.354 0.431 3.215 164 HG3 LYS 19 1HG LYS 19 10.322 -0.016 4.573 165 HD2 LYS 19 2HD LYS 19 11.531 1.184 6.037 166 HD3 LYS 19 1HD LYS 19 13.065 0.664 5.339 167 HE2 LYS 19 2HE LYS 19 11.494 2.492 3.660 168 HE3 LYS 19 1HE LYS 19 12.065 3.185 5.177 169 HZ1 LYS 19 1HZ LYS 19 13.683 3.551 3.463 170 HZ2 LYS 19 2HZ LYS 19 13.735 1.904 3.083 171 HZ3 LYS 19 3HZ LYS 19 14.317 2.445 4.576 172 H ALA 20 H ALA 20 12.193 -4.361 3.204 173 HA ALA 20 HA ALA 20 15.037 -4.748 3.713 174 HB1 ALA 20 1HB ALA 20 14.247 -7.150 4.138 175 HB2 ALA 20 2HB ALA 20 12.616 -6.486 4.043 176 HB3 ALA 20 3HB ALA 20 13.736 -5.900 5.272 177 H LEU 21 H LEU 21 12.942 -4.859 1.078 178 HA LEU 21 HA LEU 21 13.982 -7.070 -0.345 179 HB2 LEU 21 2HB LEU 21 11.895 -5.334 -0.678 180 HB3 LEU 21 1HB LEU 21 12.994 -4.810 -1.937 181 HG LEU 21 HG LEU 21 12.026 -7.648 -1.609 182 HD11 LEU 21 1HD1 LEU 21 10.540 -5.476 -2.468 183 HD12 LEU 21 2HD1 LEU 21 10.199 -7.178 -2.785 184 HD13 LEU 21 3HD1 LEU 21 11.109 -6.227 -3.959 185 HD21 LEU 21 1HD2 LEU 21 13.114 -6.589 -4.151 186 HD22 LEU 21 2HD2 LEU 21 13.242 -8.200 -3.443 187 HD23 LEU 21 3HD2 LEU 21 14.263 -6.891 -2.847 188 H GLY 22 H GLY 22 14.391 -3.619 -1.160 189 HA2 GLY 22 2HA GLY 22 16.887 -2.978 -1.133 190 HA3 GLY 22 1HA GLY 22 17.027 -4.303 -2.279 191 H GLY 23 H GLY 23 17.328 -3.508 -4.251 192 HA2 GLY 23 2HA GLY 23 15.388 -1.612 -5.309 193 HA3 GLY 23 1HA GLY 23 17.056 -1.062 -5.271 194 H GLY 24 H GLY 24 16.233 -0.981 -7.675 195 HA2 GLY 24 2HA GLY 24 17.756 -2.293 -9.364 196 HA3 GLY 24 1HA GLY 24 16.606 -3.569 -8.995 197 H GLY 25 H GLY 25 14.255 -2.062 -8.837 198 HA2 GLY 25 2HA GLY 25 13.709 -0.239 -10.817 199 HA3 GLY 25 1HA GLY 25 13.652 -1.799 -11.623 200 H ARG 26 H ARG 26 12.316 -3.484 -10.322 201 HA ARG 26 HA ARG 26 9.653 -2.635 -10.297 202 HB2 ARG 26 2HB ARG 26 10.868 -5.051 -10.300 203 HB3 ARG 26 1HB ARG 26 10.337 -4.983 -8.626 204 HG2 ARG 26 2HG ARG 26 8.658 -4.900 -11.112 205 HG3 ARG 26 1HG ARG 26 8.631 -6.087 -9.806 206 HD2 ARG 26 2HD ARG 26 6.785 -4.840 -9.273 207 HD3 ARG 26 1HD ARG 26 8.022 -3.995 -8.346 208 HE ARG 26 HE ARG 26 7.571 -2.155 -9.598 209 HH11 ARG 26 1HH1 ARG 26 6.699 -4.967 -11.472 210 HH12 ARG 26 2HH1 ARG 26 6.106 -4.046 -12.813 211 HH21 ARG 26 1HH2 ARG 26 6.792 -0.941 -11.361 212 HH22 ARG 26 2HH2 ARG 26 6.160 -1.759 -12.750 213 H ILE 27 H ILE 27 11.999 -2.968 -7.700 214 HA ILE 27 HA ILE 27 10.165 -2.520 -5.572 215 HB ILE 27 HB ILE 27 13.144 -2.041 -5.522 216 HG12 ILE 27 2HG1 ILE 27 12.098 -4.585 -4.473 217 HG13 ILE 27 1HG1 ILE 27 11.969 -4.413 -6.220 218 HG21 ILE 27 1HG2 ILE 27 11.784 -3.104 -3.158 219 HG22 ILE 27 2HG2 ILE 27 11.282 -1.477 -3.616 220 HG23 ILE 27 3HG2 ILE 27 12.983 -1.818 -3.299 221 HD11 ILE 27 1HD1 ILE 27 14.070 -5.089 -6.347 222 HD12 ILE 27 2HD1 ILE 27 14.268 -4.989 -4.598 223 HD13 ILE 27 3HD1 ILE 27 14.544 -3.564 -5.601 224 H GLU 28 H GLU 28 12.032 -0.426 -7.649 225 HA GLU 28 HA GLU 28 12.006 1.902 -6.083 226 HB2 GLU 28 2HB GLU 28 13.385 1.527 -8.134 227 HB3 GLU 28 1HB GLU 28 11.932 1.754 -9.098 228 HG2 GLU 28 2HG GLU 28 12.813 3.848 -9.197 229 HG3 GLU 28 1HG GLU 28 11.788 4.012 -7.771 230 H GLU 29 H GLU 29 9.831 1.015 -8.777 231 HA GLU 29 HA GLU 29 8.110 3.197 -8.550 232 HB2 GLU 29 2HB GLU 29 8.047 1.807 -10.508 233 HB3 GLU 29 1HB GLU 29 7.609 0.395 -9.556 234 HG2 GLU 29 2HG GLU 29 5.458 0.841 -9.816 235 HG3 GLU 29 1HG GLU 29 5.674 2.442 -9.109 236 H LEU 30 H LEU 30 7.748 -0.062 -7.185 237 HA LEU 30 HA LEU 30 5.325 0.348 -5.892 238 HB2 LEU 30 2HB LEU 30 7.595 -1.483 -5.141 239 HB3 LEU 30 1HB LEU 30 5.982 -1.567 -4.456 240 HG LEU 30 HG LEU 30 6.632 -1.946 -7.376 241 HD11 LEU 30 1HD1 LEU 30 5.675 -4.115 -5.566 242 HD12 LEU 30 2HD1 LEU 30 7.390 -3.707 -5.608 243 HD13 LEU 30 3HD1 LEU 30 6.571 -4.229 -7.079 244 HD21 LEU 30 1HD2 LEU 30 4.411 -2.302 -7.773 245 HD22 LEU 30 2HD2 LEU 30 4.300 -1.087 -6.502 246 HD23 LEU 30 3HD2 LEU 30 4.077 -2.792 -6.112 247 H LYS 31 H LYS 31 8.447 1.517 -5.047 248 HA LYS 31 HA LYS 31 7.976 1.806 -2.245 249 HB2 LYS 31 2HB LYS 31 10.240 1.667 -3.211 250 HB3 LYS 31 1HB LYS 31 9.987 3.212 -4.011 251 HG2 LYS 31 2HG LYS 31 10.602 4.325 -2.198 252 HG3 LYS 31 1HG LYS 31 9.444 3.445 -1.199 253 HD2 LYS 31 2HD LYS 31 11.020 1.656 -0.861 254 HD3 LYS 31 1HD LYS 31 12.157 2.392 -1.992 255 HE2 LYS 31 2HE LYS 31 12.917 3.854 -0.462 256 HE3 LYS 31 1HE LYS 31 11.309 4.149 0.197 257 HZ1 LYS 31 1HZ LYS 31 13.277 2.104 0.945 258 HZ2 LYS 31 2HZ LYS 31 11.634 1.758 1.143 259 HZ3 LYS 31 3HZ LYS 31 12.318 3.087 1.934 260 H LYS 32 H LYS 32 8.213 4.266 -4.833 261 HA LYS 32 HA LYS 32 7.470 6.467 -3.358 262 HB2 LYS 32 2HB LYS 32 7.738 5.810 -6.130 263 HB3 LYS 32 1HB LYS 32 6.280 6.769 -5.916 264 HG2 LYS 32 2HG LYS 32 7.729 8.388 -4.594 265 HG3 LYS 32 1HG LYS 32 9.110 7.505 -5.248 266 HD2 LYS 32 2HD LYS 32 7.649 7.932 -7.497 267 HD3 LYS 32 1HD LYS 32 7.267 9.381 -6.563 268 HE2 LYS 32 2HE LYS 32 9.153 10.111 -7.610 269 HE3 LYS 32 1HE LYS 32 9.889 9.377 -6.185 270 HZ1 LYS 32 1HZ LYS 32 10.786 8.818 -8.533 271 HZ2 LYS 32 2HZ LYS 32 9.475 7.753 -8.601 272 HZ3 LYS 32 3HZ LYS 32 10.637 7.585 -7.384 273 H LYS 33 H LYS 33 5.329 4.216 -5.064 274 HA LYS 33 HA LYS 33 2.936 5.593 -4.382 275 HB2 LYS 33 2HB LYS 33 3.550 3.712 -6.215 276 HB3 LYS 33 1HB LYS 33 2.778 2.707 -4.997 277 HG2 LYS 33 2HG LYS 33 1.039 4.803 -5.191 278 HG3 LYS 33 1HG LYS 33 1.619 4.640 -6.850 279 HD2 LYS 33 2HD LYS 33 -0.306 3.255 -6.638 280 HD3 LYS 33 1HD LYS 33 1.099 2.189 -6.686 281 HE2 LYS 33 2HE LYS 33 0.041 1.261 -4.906 282 HE3 LYS 33 1HE LYS 33 0.931 2.518 -4.048 283 HZ1 LYS 33 1HZ LYS 33 -1.059 3.935 -4.233 284 HZ2 LYS 33 2HZ LYS 33 -1.342 2.527 -3.338 285 HZ3 LYS 33 3HZ LYS 33 -1.901 2.643 -4.930 286 H CYS 34 H CYS 34 4.870 3.227 -2.751 287 HA CYS 34 HA CYS 34 2.933 2.061 -1.082 288 HB2 CYS 34 2HB CYS 34 5.691 1.865 -1.453 289 HB3 CYS 34 1HB CYS 34 5.517 2.374 0.215 290 H GLU 35 H GLU 35 5.260 4.642 -0.269 291 HA GLU 35 HA GLU 35 4.114 5.181 2.247 292 HB2 GLU 35 2HB GLU 35 5.484 7.290 2.144 293 HB3 GLU 35 1HB GLU 35 6.380 5.793 1.924 294 HG2 GLU 35 2HG GLU 35 7.137 6.476 -0.033 295 HG3 GLU 35 1HG GLU 35 5.496 6.755 -0.609 296 H GLU 36 H GLU 36 3.730 6.799 -0.888 297 HA GLU 36 HA GLU 36 2.180 8.949 -0.042 298 HB2 GLU 36 2HB GLU 36 3.190 8.409 -2.374 299 HB3 GLU 36 1HB GLU 36 1.672 7.571 -2.663 300 HG2 GLU 36 2HG GLU 36 1.223 10.211 -1.588 301 HG3 GLU 36 1HG GLU 36 2.203 10.267 -3.052 302 H LEU 37 H LEU 37 1.365 5.620 -0.491 303 HA LEU 37 HA LEU 37 -1.457 5.919 -0.624 304 HB2 LEU 37 2HB LEU 37 -0.585 3.931 -1.509 305 HB3 LEU 37 1HB LEU 37 0.411 3.632 -0.101 306 HG LEU 37 HG LEU 37 -1.466 2.921 1.186 307 HD11 LEU 37 1HD1 LEU 37 -3.686 3.205 0.658 308 HD12 LEU 37 2HD1 LEU 37 -3.371 3.320 -1.073 309 HD13 LEU 37 3HD1 LEU 37 -2.990 4.678 -0.016 310 HD21 LEU 37 1HD2 LEU 37 -2.170 1.602 -1.362 311 HD22 LEU 37 2HD2 LEU 37 -1.747 0.904 0.201 312 HD23 LEU 37 3HD2 LEU 37 -0.482 1.519 -0.861 313 H LYS 38 H LYS 38 0.818 5.261 2.007 314 HA LYS 38 HA LYS 38 -1.026 4.722 4.030 315 HB2 LYS 38 2HB LYS 38 1.803 5.537 3.890 316 HB3 LYS 38 1HB LYS 38 0.989 5.936 5.397 317 HG2 LYS 38 2HG LYS 38 0.629 3.725 5.944 318 HG3 LYS 38 1HG LYS 38 0.764 3.181 4.270 319 HD2 LYS 38 2HD LYS 38 3.169 3.689 4.316 320 HD3 LYS 38 1HD LYS 38 3.021 4.191 6.002 321 HE2 LYS 38 2HE LYS 38 2.397 1.438 4.936 322 HE3 LYS 38 1HE LYS 38 3.881 1.894 5.771 323 HZ1 LYS 38 1HZ LYS 38 2.888 1.622 7.718 324 HZ2 LYS 38 2HZ LYS 38 1.539 0.995 6.913 325 HZ3 LYS 38 3HZ LYS 38 1.606 2.642 7.292 326 H LYS 39 H LYS 39 0.622 7.823 3.400 327 HA LYS 39 HA LYS 39 -0.671 9.377 5.263 328 HB2 LYS 39 2HB LYS 39 -0.022 11.296 3.950 329 HB3 LYS 39 1HB LYS 39 1.261 10.096 3.889 330 HG2 LYS 39 2HG LYS 39 0.332 9.355 1.683 331 HG3 LYS 39 1HG LYS 39 -0.732 10.762 1.741 332 HD2 LYS 39 2HD LYS 39 1.649 11.925 2.262 333 HD3 LYS 39 1HD LYS 39 2.166 10.590 1.230 334 HE2 LYS 39 2HE LYS 39 0.222 11.370 -0.306 335 HE3 LYS 39 1HE LYS 39 0.346 12.878 0.600 336 HZ1 LYS 39 1HZ LYS 39 2.536 11.576 -0.927 337 HZ2 LYS 39 2HZ LYS 39 2.690 12.999 -0.024 338 HZ3 LYS 39 3HZ LYS 39 1.689 12.966 -1.388 339 H LYS 40 H LYS 40 -1.891 8.201 2.224 340 HA LYS 40 HA LYS 40 -4.065 10.040 2.030 341 HB2 LYS 40 2HB LYS 40 -2.993 8.615 0.165 342 HB3 LYS 40 1HB LYS 40 -4.020 7.317 0.757 343 HG2 LYS 40 2HG LYS 40 -5.994 8.509 0.222 344 HG3 LYS 40 1HG LYS 40 -5.094 9.998 -0.071 345 HD2 LYS 40 2HD LYS 40 -4.116 9.116 -2.050 346 HD3 LYS 40 1HD LYS 40 -4.694 7.488 -1.686 347 HE2 LYS 40 2HE LYS 40 -6.300 8.079 -3.174 348 HE3 LYS 40 1HE LYS 40 -7.038 8.755 -1.722 349 HZ1 LYS 40 1HZ LYS 40 -5.742 10.130 -3.962 350 HZ2 LYS 40 2HZ LYS 40 -5.641 10.835 -2.429 351 HZ3 LYS 40 3HZ LYS 40 -7.153 10.532 -3.120 352 H ILE 41 H ILE 41 -3.561 7.044 3.715 353 HA ILE 41 HA ILE 41 -6.342 6.447 4.084 354 HB ILE 41 HB ILE 41 -4.067 5.421 5.773 355 HG12 ILE 41 2HG1 ILE 41 -5.032 4.504 3.061 356 HG13 ILE 41 1HG1 ILE 41 -3.407 5.012 3.506 357 HG21 ILE 41 1HG2 ILE 41 -6.703 4.161 5.030 358 HG22 ILE 41 2HG2 ILE 41 -6.388 5.013 6.542 359 HG23 ILE 41 3HG2 ILE 41 -5.507 3.534 6.165 360 HD11 ILE 41 1HD1 ILE 41 -4.817 2.505 4.386 361 HD12 ILE 41 2HD1 ILE 41 -3.235 3.026 4.965 362 HD13 ILE 41 3HD1 ILE 41 -3.463 2.629 3.262 363 H GLU 42 H GLU 42 -3.840 8.069 5.987 364 HA GLU 42 HA GLU 42 -5.339 8.334 8.359 365 HB2 GLU 42 2HB GLU 42 -3.738 10.156 8.911 366 HB3 GLU 42 1HB GLU 42 -2.950 8.669 8.398 367 HG2 GLU 42 2HG GLU 42 -2.354 9.566 6.324 368 HG3 GLU 42 1HG GLU 42 -3.486 10.908 6.481 369 H GLU 43 H GLU 43 -5.243 10.164 5.388 370 HA GLU 43 HA GLU 43 -6.707 12.409 6.405 371 HB2 GLU 43 2HB GLU 43 -6.668 13.252 4.202 372 HB3 GLU 43 1HB GLU 43 -5.137 12.416 4.400 373 HG2 GLU 43 2HG GLU 43 -5.555 11.143 2.648 374 HG3 GLU 43 1HG GLU 43 -7.078 10.604 3.343 375 H LEU 44 H LEU 44 -7.471 9.368 4.917 376 HA LEU 44 HA LEU 44 -10.101 9.846 4.101 377 HB2 LEU 44 2HB LEU 44 -8.485 7.451 4.788 378 HB3 LEU 44 1HB LEU 44 -10.224 7.248 4.734 379 HG LEU 44 HG LEU 44 -8.603 8.363 2.449 380 HD11 LEU 44 1HD1 LEU 44 -7.963 6.302 1.949 381 HD12 LEU 44 2HD1 LEU 44 -9.654 5.812 1.842 382 HD13 LEU 44 3HD1 LEU 44 -8.791 5.674 3.374 383 HD21 LEU 44 1HD2 LEU 44 -10.792 7.465 1.292 384 HD22 LEU 44 2HD2 LEU 44 -10.734 9.071 2.020 385 HD23 LEU 44 3HD2 LEU 44 -11.475 7.731 2.896 386 H GLY 45 H GLY 45 -12.011 8.616 5.157 387 HA2 GLY 45 2HA GLY 45 -11.946 8.688 8.072 388 HA3 GLY 45 1HA GLY 45 -13.018 9.837 7.288 389 H GLY 46 H GLY 46 -14.369 8.665 5.448 390 HA2 GLY 46 2HA GLY 46 -15.112 6.061 5.431 391 HA3 GLY 46 1HA GLY 46 -15.931 6.684 6.855 392 H GLY 47 H GLY 47 -15.618 7.024 3.359 393 HA2 GLY 47 2HA GLY 47 -18.431 7.823 3.256 394 HA3 GLY 47 1HA GLY 47 -17.256 8.911 2.532 395 H GLY 48 H GLY 48 -17.271 8.727 0.397 396 HA2 GLY 48 2HA GLY 48 -17.753 6.064 -0.774 397 HA3 GLY 48 1HA GLY 48 -18.098 7.589 -1.573 398 H GLU 49 H GLU 49 -15.218 8.075 -0.095 399 HA GLU 49 HA GLU 49 -13.765 7.532 -2.569 400 HB2 GLU 49 2HB GLU 49 -13.630 9.794 -1.626 401 HB3 GLU 49 1HB GLU 49 -12.971 9.140 -0.134 402 HG2 GLU 49 2HG GLU 49 -11.051 8.258 -1.474 403 HG3 GLU 49 1HG GLU 49 -11.684 9.161 -2.850 404 H VAL 50 H VAL 50 -14.031 6.418 0.686 405 HA VAL 50 HA VAL 50 -11.554 5.328 1.210 406 HB VAL 50 HB VAL 50 -13.423 5.335 2.813 407 HG11 VAL 50 1HG1 VAL 50 -15.067 3.440 2.685 408 HG12 VAL 50 2HG1 VAL 50 -14.516 3.170 1.030 409 HG13 VAL 50 3HG1 VAL 50 -15.276 4.701 1.468 410 HG21 VAL 50 1HG2 VAL 50 -11.388 3.698 2.829 411 HG22 VAL 50 2HG2 VAL 50 -12.625 2.474 2.540 412 HG23 VAL 50 3HG2 VAL 50 -12.706 3.486 3.982 413 H LYS 51 H LYS 51 -14.019 4.206 -0.989 414 HA LYS 51 HA LYS 51 -12.988 1.583 -1.362 415 HB2 LYS 51 2HB LYS 51 -15.303 2.158 -1.916 416 HB3 LYS 51 1HB LYS 51 -14.741 3.261 -3.166 417 HG2 LYS 51 2HG LYS 51 -14.389 1.613 -4.643 418 HG3 LYS 51 1HG LYS 51 -13.743 0.517 -3.421 419 HD2 LYS 51 2HD LYS 51 -16.606 1.065 -3.139 420 HD3 LYS 51 1HD LYS 51 -16.174 0.258 -4.648 421 HE2 LYS 51 2HE LYS 51 -16.727 -1.299 -2.784 422 HE3 LYS 51 1HE LYS 51 -15.117 -1.533 -3.464 423 HZ1 LYS 51 1HZ LYS 51 -15.788 -0.137 -0.932 424 HZ2 LYS 51 2HZ LYS 51 -14.238 -0.190 -1.606 425 HZ3 LYS 51 3HZ LYS 51 -14.986 -1.617 -1.092 426 H LYS 52 H LYS 52 -12.253 4.697 -2.743 427 HA LYS 52 HA LYS 52 -10.882 3.767 -5.048 428 HB2 LYS 52 2HB LYS 52 -11.659 6.030 -5.010 429 HB3 LYS 52 1HB LYS 52 -10.778 6.373 -3.528 430 HG2 LYS 52 2HG LYS 52 -9.699 7.371 -5.473 431 HG3 LYS 52 1HG LYS 52 -8.667 6.160 -4.708 432 HD2 LYS 52 2HD LYS 52 -9.367 4.521 -6.404 433 HD3 LYS 52 1HD LYS 52 -10.356 5.760 -7.177 434 HE2 LYS 52 2HE LYS 52 -8.271 7.121 -7.455 435 HE3 LYS 52 1HE LYS 52 -7.358 5.724 -6.886 436 HZ1 LYS 52 1HZ LYS 52 -8.011 4.472 -8.752 437 HZ2 LYS 52 2HZ LYS 52 -7.550 5.980 -9.362 438 HZ3 LYS 52 3HZ LYS 52 -9.190 5.596 -9.211 439 H VAL 53 H VAL 53 -9.626 5.085 -1.975 440 HA VAL 53 HA VAL 53 -6.930 4.564 -2.453 441 HB VAL 53 HB VAL 53 -8.198 4.419 0.279 442 HG11 VAL 53 1HG1 VAL 53 -5.685 3.923 -0.268 443 HG12 VAL 53 2HG1 VAL 53 -6.121 4.900 1.135 444 HG13 VAL 53 3HG1 VAL 53 -5.571 5.682 -0.348 445 HG21 VAL 53 1HG2 VAL 53 -8.981 6.482 -0.043 446 HG22 VAL 53 2HG2 VAL 53 -8.149 6.633 -1.591 447 HG23 VAL 53 3HG2 VAL 53 -7.302 7.019 -0.093 448 H GLU 54 H GLU 54 -9.495 2.428 -1.492 449 HA GLU 54 HA GLU 54 -7.942 0.345 -0.393 450 HB2 GLU 54 2HB GLU 54 -10.686 0.532 -1.573 451 HB3 GLU 54 1HB GLU 54 -10.000 -1.054 -1.248 452 HG2 GLU 54 2HG GLU 54 -9.746 -0.515 1.085 453 HG3 GLU 54 1HG GLU 54 -10.291 1.137 0.795 454 H GLU 55 H GLU 55 -8.863 1.165 -3.681 455 HA GLU 55 HA GLU 55 -7.885 -1.256 -4.847 456 HB2 GLU 55 2HB GLU 55 -9.612 0.080 -5.951 457 HB3 GLU 55 1HB GLU 55 -8.493 1.429 -6.102 458 HG2 GLU 55 2HG GLU 55 -7.663 0.622 -7.988 459 HG3 GLU 55 1HG GLU 55 -7.362 -0.951 -7.251 460 H GLU 56 H GLU 56 -6.507 1.815 -3.987 461 HA GLU 56 HA GLU 56 -4.191 1.672 -5.620 462 HB2 GLU 56 2HB GLU 56 -5.046 3.283 -3.259 463 HB3 GLU 56 1HB GLU 56 -3.343 3.281 -3.693 464 HG2 GLU 56 2HG GLU 56 -3.674 4.492 -5.564 465 HG3 GLU 56 1HG GLU 56 -5.244 3.760 -5.893 466 H VAL 57 H VAL 57 -5.049 0.348 -2.520 467 HA VAL 57 HA VAL 57 -2.337 -0.357 -1.812 468 HB VAL 57 HB VAL 57 -4.872 -1.349 -0.512 469 HG11 VAL 57 1HG1 VAL 57 -2.312 -0.861 0.924 470 HG12 VAL 57 2HG1 VAL 57 -2.453 -2.297 -0.088 471 HG13 VAL 57 3HG1 VAL 57 -3.581 -2.044 1.244 472 HG21 VAL 57 1HG2 VAL 57 -4.030 1.322 -0.698 473 HG22 VAL 57 2HG2 VAL 57 -3.602 0.790 0.927 474 HG23 VAL 57 3HG2 VAL 57 -5.268 0.655 0.366 475 H LYS 58 H LYS 58 -5.025 -1.790 -3.443 476 HA LYS 58 HA LYS 58 -4.194 -4.507 -3.164 477 HB2 LYS 58 2HB LYS 58 -6.368 -3.039 -4.444 478 HB3 LYS 58 1HB LYS 58 -5.828 -4.422 -5.387 479 HG2 LYS 58 2HG LYS 58 -6.382 -5.939 -3.706 480 HG3 LYS 58 1HG LYS 58 -6.450 -4.681 -2.469 481 HD2 LYS 58 2HD LYS 58 -8.443 -3.741 -3.546 482 HD3 LYS 58 1HD LYS 58 -8.377 -5.011 -4.770 483 HE2 LYS 58 2HE LYS 58 -9.160 -6.603 -3.354 484 HE3 LYS 58 1HE LYS 58 -8.387 -5.883 -1.943 485 HZ1 LYS 58 1HZ LYS 58 -10.966 -5.197 -3.190 486 HZ2 LYS 58 2HZ LYS 58 -10.140 -4.047 -2.265 487 HZ3 LYS 58 3HZ LYS 58 -10.617 -5.511 -1.565 488 H LYS 59 H LYS 59 -3.488 -1.940 -5.414 489 HA LYS 59 HA LYS 59 -2.490 -3.631 -7.493 490 HB2 LYS 59 2HB LYS 59 -3.302 -1.423 -8.043 491 HB3 LYS 59 1HB LYS 59 -2.129 -0.678 -6.966 492 HG2 LYS 59 2HG LYS 59 -0.844 -2.358 -8.941 493 HG3 LYS 59 1HG LYS 59 -1.850 -1.115 -9.688 494 HD2 LYS 59 2HD LYS 59 0.002 -0.372 -7.462 495 HD3 LYS 59 1HD LYS 59 0.649 -0.608 -9.088 496 HE2 LYS 59 2HE LYS 59 -1.421 0.957 -9.695 497 HE3 LYS 59 1HE LYS 59 -1.156 1.500 -8.039 498 HZ1 LYS 59 1HZ LYS 59 1.256 1.296 -9.604 499 HZ2 LYS 59 2HZ LYS 59 0.714 2.554 -8.612 500 HZ3 LYS 59 3HZ LYS 59 0.153 2.433 -10.203 501 H LEU 60 H LEU 60 -0.982 -1.841 -4.829 502 HA LEU 60 HA LEU 60 1.674 -2.500 -5.685 503 HB2 LEU 60 2HB LEU 60 0.836 -0.498 -4.240 504 HB3 LEU 60 1HB LEU 60 1.041 -1.620 -2.905 505 HG LEU 60 HG LEU 60 3.370 -1.586 -4.636 506 HD11 LEU 60 1HD1 LEU 60 3.662 0.851 -3.262 507 HD12 LEU 60 2HD1 LEU 60 2.149 0.946 -4.161 508 HD13 LEU 60 3HD1 LEU 60 3.650 0.570 -5.002 509 HD21 LEU 60 1HD2 LEU 60 4.481 -1.127 -2.451 510 HD22 LEU 60 2HD2 LEU 60 3.455 -2.562 -2.462 511 HD23 LEU 60 3HD2 LEU 60 2.881 -1.072 -1.710 512 H GLU 61 H GLU 61 -0.680 -3.997 -3.627 513 HA GLU 61 HA GLU 61 1.125 -5.612 -2.141 514 HB2 GLU 61 2HB GLU 61 -1.549 -5.038 -1.988 515 HB3 GLU 61 1HB GLU 61 -1.571 -6.689 -2.584 516 HG2 GLU 61 2HG GLU 61 0.243 -6.898 -0.591 517 HG3 GLU 61 1HG GLU 61 -0.808 -5.631 0.040 518 H GLU 62 H GLU 62 -0.926 -6.241 -4.965 519 HA GLU 62 HA GLU 62 -0.039 -8.900 -5.367 520 HB2 GLU 62 2HB GLU 62 -2.105 -7.426 -6.306 521 HB3 GLU 62 1HB GLU 62 -1.034 -7.374 -7.699 522 HG2 GLU 62 2HG GLU 62 -0.934 -9.841 -7.664 523 HG3 GLU 62 1HG GLU 62 -2.090 -9.836 -6.333 524 H GLU 63 H GLU 63 1.177 -5.794 -6.313 525 HA GLU 63 HA GLU 63 2.741 -6.533 -8.518 526 HB2 GLU 63 2HB GLU 63 2.400 -4.220 -6.825 527 HB3 GLU 63 1HB GLU 63 4.103 -4.459 -7.190 528 HG2 GLU 63 2HG GLU 63 1.953 -4.397 -9.288 529 HG3 GLU 63 1HG GLU 63 2.851 -2.972 -8.769 530 H ILE 64 H ILE 64 3.746 -6.078 -5.127 531 HA ILE 64 HA ILE 64 6.376 -6.931 -5.407 532 HB ILE 64 HB ILE 64 4.653 -7.325 -2.958 533 HG12 ILE 64 2HG1 ILE 64 6.224 -4.907 -3.876 534 HG13 ILE 64 1HG1 ILE 64 4.477 -5.015 -3.699 535 HG21 ILE 64 1HG2 ILE 64 7.635 -6.997 -3.274 536 HG22 ILE 64 2HG2 ILE 64 6.790 -8.490 -2.869 537 HG23 ILE 64 3HG2 ILE 64 6.772 -7.134 -1.743 538 HD11 ILE 64 1HD1 ILE 64 5.440 -3.796 -1.856 539 HD12 ILE 64 2HD1 ILE 64 6.500 -5.153 -1.479 540 HD13 ILE 64 3HD1 ILE 64 4.755 -5.317 -1.284 541 H LYS 65 H LYS 65 3.429 -8.762 -5.260 542 HA LYS 65 HA LYS 65 4.458 -11.241 -4.427 543 HB2 LYS 65 2HB LYS 65 1.989 -10.240 -5.607 544 HB3 LYS 65 1HB LYS 65 2.389 -11.856 -6.172 545 HG2 LYS 65 2HG LYS 65 0.977 -12.039 -4.255 546 HG3 LYS 65 1HG LYS 65 2.598 -12.578 -3.812 547 HD2 LYS 65 2HD LYS 65 2.975 -10.197 -2.971 548 HD3 LYS 65 1HD LYS 65 1.227 -9.995 -3.113 549 HE2 LYS 65 2HE LYS 65 1.656 -10.612 -0.866 550 HE3 LYS 65 1HE LYS 65 0.986 -12.037 -1.659 551 HZ1 LYS 65 1HZ LYS 65 3.897 -11.729 -1.604 552 HZ2 LYS 65 2HZ LYS 65 2.960 -13.137 -1.559 553 HZ3 LYS 65 3HZ LYS 65 3.121 -12.184 -0.170 554 H LYS 66 H LYS 66 4.455 -9.626 -7.522 555 HA LYS 66 HA LYS 66 5.135 -11.896 -9.093 556 HB2 LYS 66 2HB LYS 66 5.678 -8.984 -9.691 557 HB3 LYS 66 1HB LYS 66 5.637 -10.302 -10.854 558 HG2 LYS 66 2HG LYS 66 3.236 -10.642 -10.270 559 HG3 LYS 66 1HG LYS 66 3.327 -9.179 -9.288 560 HD2 LYS 66 2HD LYS 66 3.361 -7.814 -11.091 561 HD3 LYS 66 1HD LYS 66 4.326 -8.936 -12.053 562 HE2 LYS 66 2HE LYS 66 2.427 -9.298 -13.184 563 HE3 LYS 66 1HE LYS 66 1.968 -10.289 -11.799 564 HZ1 LYS 66 1HZ LYS 66 0.991 -7.680 -12.619 565 HZ2 LYS 66 2HZ LYS 66 1.209 -7.888 -10.955 566 HZ3 LYS 66 3HZ LYS 66 0.190 -8.932 -11.811 567 H LEU 67 H LEU 67 7.127 -9.095 -8.121 568 HA LEU 67 HA LEU 67 9.573 -10.178 -8.916 569 HB2 LEU 67 2HB LEU 67 10.540 -8.489 -7.339 570 HB3 LEU 67 1HB LEU 67 9.430 -7.848 -8.529 571 HG LEU 67 HG LEU 67 7.755 -8.319 -6.420 572 HD11 LEU 67 1HD1 LEU 67 10.499 -7.919 -5.386 573 HD12 LEU 67 2HD1 LEU 67 9.130 -8.780 -4.680 574 HD13 LEU 67 3HD1 LEU 67 9.200 -7.019 -4.602 575 HD21 LEU 67 1HD2 LEU 67 7.944 -5.858 -6.024 576 HD22 LEU 67 2HD2 LEU 67 7.707 -6.313 -7.712 577 HD23 LEU 67 3HD2 LEU 67 9.308 -5.842 -7.143 578 H6 HTS 101 H6 HTS 68 7.949 3.765 3.077 579 H3 HTS 101 H3 HTS 68 7.780 -0.766 1.143 580 H4 HTS 101 H4 HTS 68 9.944 0.391 1.382 581 H5 HTS 101 H5 HTS 68 10.025 2.652 2.355 582 HO1 HTS 101 HO1 HTS 68 5.283 2.399 3.785 Start of MODEL 28 1 H1 GLY 1 1H GLY 1 -18.272 0.281 10.908 2 H2 GLY 1 2H GLY 1 -16.700 -0.171 10.477 3 H3 GLY 1 3H GLY 1 -17.202 1.432 10.280 4 HA2 GLY 1 1HA GLY 1 -16.869 1.974 12.415 5 HA3 GLY 1 2HA GLY 1 -17.461 0.417 12.974 6 H SER 2 H SER 2 -15.824 -1.391 11.878 7 HA SER 2 HA SER 2 -13.104 -0.552 12.625 8 HB2 SER 2 2HB SER 2 -14.590 -2.085 14.274 9 HB3 SER 2 1HB SER 2 -13.887 -3.344 13.257 10 HG SER 2 HG SER 2 -12.245 -3.118 14.555 11 H ARG 3 H ARG 3 -13.506 -0.421 10.088 12 HA ARG 3 HA ARG 3 -12.493 -2.952 8.969 13 HB2 ARG 3 2HB ARG 3 -14.866 -2.270 8.295 14 HB3 ARG 3 1HB ARG 3 -14.115 -0.953 7.405 15 HG2 ARG 3 2HG ARG 3 -12.916 -3.543 6.832 16 HG3 ARG 3 1HG ARG 3 -14.634 -3.465 6.437 17 HD2 ARG 3 2HD ARG 3 -13.436 -1.053 5.551 18 HD3 ARG 3 1HD ARG 3 -12.417 -2.385 5.008 19 HE ARG 3 HE ARG 3 -14.067 -3.011 3.552 20 HH11 ARG 3 1HH1 ARG 3 -15.408 -0.796 5.891 21 HH12 ARG 3 2HH1 ARG 3 -16.924 -0.647 5.067 22 HH21 ARG 3 1HH2 ARG 3 -16.060 -2.816 2.467 23 HH22 ARG 3 2HH2 ARG 3 -17.294 -1.793 3.123 24 H VAL 4 H VAL 4 -12.535 0.577 8.654 25 HA VAL 4 HA VAL 4 -10.469 0.736 6.727 26 HB VAL 4 HB VAL 4 -11.180 2.856 8.757 27 HG11 VAL 4 1HG1 VAL 4 -10.512 4.343 6.808 28 HG12 VAL 4 2HG1 VAL 4 -9.819 2.896 6.077 29 HG13 VAL 4 3HG1 VAL 4 -9.212 3.478 7.628 30 HG21 VAL 4 1HG2 VAL 4 -12.583 3.642 6.662 31 HG22 VAL 4 2HG2 VAL 4 -13.252 2.526 7.850 32 HG23 VAL 4 3HG2 VAL 4 -12.611 1.912 6.327 33 H LYS 5 H LYS 5 -10.477 0.634 10.239 34 HA LYS 5 HA LYS 5 -7.858 1.456 10.742 35 HB2 LYS 5 2HB LYS 5 -9.649 -0.486 12.200 36 HB3 LYS 5 1HB LYS 5 -8.070 -0.007 12.809 37 HG2 LYS 5 2HG LYS 5 -8.994 2.408 12.526 38 HG3 LYS 5 1HG LYS 5 -10.565 1.604 12.543 39 HD2 LYS 5 2HD LYS 5 -10.150 0.681 14.706 40 HD3 LYS 5 1HD LYS 5 -8.465 1.205 14.668 41 HE2 LYS 5 2HE LYS 5 -10.568 3.279 14.359 42 HE3 LYS 5 1HE LYS 5 -10.350 2.566 15.957 43 HZ1 LYS 5 1HZ LYS 5 -8.046 3.604 14.431 44 HZ2 LYS 5 2HZ LYS 5 -8.186 3.354 16.098 45 HZ3 LYS 5 3HZ LYS 5 -9.006 4.639 15.364 46 H ALA 6 H ALA 6 -9.136 -1.620 9.673 47 HA ALA 6 HA ALA 6 -6.689 -3.071 10.031 48 HB1 ALA 6 1HB ALA 6 -9.081 -3.787 8.339 49 HB2 ALA 6 2HB ALA 6 -8.906 -4.160 10.055 50 HB3 ALA 6 3HB ALA 6 -7.805 -4.878 8.879 51 H LEU 7 H LEU 7 -8.059 -1.085 7.547 52 HA LEU 7 HA LEU 7 -6.526 -2.064 5.364 53 HB2 LEU 7 2HB LEU 7 -8.639 -0.373 5.622 54 HB3 LEU 7 1HB LEU 7 -7.343 0.770 5.328 55 HG LEU 7 HG LEU 7 -8.200 -1.491 3.528 56 HD11 LEU 7 1HD1 LEU 7 -9.679 0.145 3.005 57 HD12 LEU 7 2HD1 LEU 7 -8.328 0.694 2.015 58 HD13 LEU 7 3HD1 LEU 7 -8.628 1.436 3.586 59 HD21 LEU 7 1HD2 LEU 7 -5.754 0.207 3.555 60 HD22 LEU 7 2HD2 LEU 7 -6.470 -0.233 2.003 61 HD23 LEU 7 3HD2 LEU 7 -5.944 -1.492 3.121 62 H GLU 8 H GLU 8 -5.918 0.238 7.912 63 HA GLU 8 HA GLU 8 -3.625 1.415 6.635 64 HB2 GLU 8 2HB GLU 8 -4.552 1.573 9.507 65 HB3 GLU 8 1HB GLU 8 -3.300 2.571 8.779 66 HG2 GLU 8 2HG GLU 8 -4.840 3.712 7.430 67 HG3 GLU 8 1HG GLU 8 -6.102 2.514 7.713 68 H GLU 9 H GLU 9 -4.191 -1.021 9.130 69 HA GLU 9 HA GLU 9 -1.448 -1.366 9.799 70 HB2 GLU 9 2HB GLU 9 -2.152 -3.202 11.127 71 HB3 GLU 9 1HB GLU 9 -3.435 -2.005 11.229 72 HG2 GLU 9 2HG GLU 9 -4.874 -3.574 10.647 73 HG3 GLU 9 1HG GLU 9 -4.103 -3.641 9.063 74 H LYS 10 H LYS 10 -3.385 -2.451 7.193 75 HA LYS 10 HA LYS 10 -2.005 -4.844 6.559 76 HB2 LYS 10 2HB LYS 10 -4.167 -3.288 5.486 77 HB3 LYS 10 1HB LYS 10 -3.069 -3.729 4.186 78 HG2 LYS 10 2HG LYS 10 -3.845 -5.865 6.083 79 HG3 LYS 10 1HG LYS 10 -5.076 -5.285 4.958 80 HD2 LYS 10 2HD LYS 10 -3.455 -5.671 3.100 81 HD3 LYS 10 1HD LYS 10 -2.366 -6.416 4.272 82 HE2 LYS 10 2HE LYS 10 -5.132 -7.345 3.516 83 HE3 LYS 10 1HE LYS 10 -3.605 -8.140 3.135 84 HZ1 LYS 10 1HZ LYS 10 -4.628 -7.704 5.888 85 HZ2 LYS 10 2HZ LYS 10 -3.251 -8.583 5.450 86 HZ3 LYS 10 3HZ LYS 10 -4.787 -9.150 5.026 87 H VAL 11 H VAL 11 -1.735 -1.516 5.363 88 HA VAL 11 HA VAL 11 0.387 -2.096 3.555 89 HB VAL 11 HB VAL 11 -0.314 0.609 4.694 90 HG11 VAL 11 1HG1 VAL 11 1.082 1.501 3.188 91 HG12 VAL 11 2HG1 VAL 11 0.560 0.399 1.914 92 HG13 VAL 11 3HG1 VAL 11 1.777 -0.117 3.082 93 HG21 VAL 11 1HG2 VAL 11 -2.337 0.237 3.788 94 HG22 VAL 11 2HG2 VAL 11 -1.764 -1.116 2.812 95 HG23 VAL 11 3HG2 VAL 11 -1.513 0.540 2.259 96 H LYS 12 H LYS 12 0.237 -1.207 6.894 97 HA LYS 12 HA LYS 12 2.845 -0.240 7.254 98 HB2 LYS 12 2HB LYS 12 0.844 -0.235 8.893 99 HB3 LYS 12 1HB LYS 12 1.391 -1.844 9.342 100 HG2 LYS 12 2HG LYS 12 3.699 -0.383 9.489 101 HG3 LYS 12 1HG LYS 12 2.481 0.770 10.034 102 HD2 LYS 12 2HD LYS 12 2.002 -0.415 11.912 103 HD3 LYS 12 1HD LYS 12 2.311 -1.971 11.139 104 HE2 LYS 12 2HE LYS 12 3.993 -1.583 12.814 105 HE3 LYS 12 1HE LYS 12 4.737 -1.477 11.219 106 HZ1 LYS 12 1HZ LYS 12 5.573 0.324 12.438 107 HZ2 LYS 12 2HZ LYS 12 4.056 0.735 13.063 108 HZ3 LYS 12 3HZ LYS 12 4.395 1.001 11.428 109 H ALA 13 H ALA 13 1.534 -3.497 7.184 110 HA ALA 13 HA ALA 13 4.054 -4.719 7.928 111 HB1 ALA 13 1HB ALA 13 1.317 -5.683 7.301 112 HB2 ALA 13 2HB ALA 13 2.393 -6.113 8.632 113 HB3 ALA 13 3HB ALA 13 2.654 -6.801 7.029 114 H LEU 14 H LEU 14 2.387 -3.718 5.118 115 HA LEU 14 HA LEU 14 3.625 -5.312 3.155 116 HB2 LEU 14 2HB LEU 14 1.540 -3.734 3.123 117 HB3 LEU 14 1HB LEU 14 2.699 -2.505 2.668 118 HG LEU 14 HG LEU 14 2.667 -5.044 1.107 119 HD11 LEU 14 1HD1 LEU 14 0.270 -4.068 1.555 120 HD12 LEU 14 2HD1 LEU 14 0.744 -4.609 -0.057 121 HD13 LEU 14 3HD1 LEU 14 0.762 -2.891 0.338 122 HD21 LEU 14 1HD2 LEU 14 3.379 -3.662 -0.667 123 HD22 LEU 14 2HD2 LEU 14 4.269 -3.113 0.754 124 HD23 LEU 14 3HD2 LEU 14 2.880 -2.194 0.174 125 H GLU 15 H GLU 15 4.650 -2.525 4.928 126 HA GLU 15 HA GLU 15 6.677 -1.669 3.113 127 HB2 GLU 15 2HB GLU 15 5.757 -0.027 4.560 128 HB3 GLU 15 1HB GLU 15 6.035 -1.017 5.985 129 HG2 GLU 15 2HG GLU 15 8.383 -0.651 5.873 130 HG3 GLU 15 1HG GLU 15 8.246 0.114 4.290 131 H GLU 16 H GLU 16 6.621 -3.644 6.046 132 HA GLU 16 HA GLU 16 9.349 -3.913 6.470 133 HB2 GLU 16 2HB GLU 16 7.134 -5.915 6.928 134 HB3 GLU 16 1HB GLU 16 8.769 -6.095 7.549 135 HG2 GLU 16 2HG GLU 16 8.192 -3.643 8.480 136 HG3 GLU 16 1HG GLU 16 6.577 -4.350 8.452 137 H LYS 17 H LYS 17 7.329 -5.374 4.044 138 HA LYS 17 HA LYS 17 9.183 -7.432 3.318 139 HB2 LYS 17 2HB LYS 17 6.635 -7.370 2.934 140 HB3 LYS 17 1HB LYS 17 7.007 -6.374 1.535 141 HG2 LYS 17 2HG LYS 17 7.458 -8.173 0.332 142 HG3 LYS 17 1HG LYS 17 8.689 -8.674 1.494 143 HD2 LYS 17 2HD LYS 17 5.906 -9.152 2.325 144 HD3 LYS 17 1HD LYS 17 6.449 -10.092 0.932 145 HE2 LYS 17 2HE LYS 17 8.556 -10.489 2.477 146 HE3 LYS 17 1HE LYS 17 7.390 -10.148 3.754 147 HZ1 LYS 17 1HZ LYS 17 6.023 -11.936 3.010 148 HZ2 LYS 17 2HZ LYS 17 7.595 -12.533 3.186 149 HZ3 LYS 17 3HZ LYS 17 6.987 -12.196 1.644 150 H VAL 18 H VAL 18 8.252 -4.316 1.870 151 HA VAL 18 HA VAL 18 10.088 -4.494 -0.288 152 HB VAL 18 HB VAL 18 9.051 -1.902 0.803 153 HG11 VAL 18 1HG1 VAL 18 9.261 -1.103 -1.397 154 HG12 VAL 18 2HG1 VAL 18 9.422 -2.729 -2.058 155 HG13 VAL 18 3HG1 VAL 18 10.729 -2.035 -1.097 156 HG21 VAL 18 1HG2 VAL 18 7.558 -4.003 -0.740 157 HG22 VAL 18 2HG2 VAL 18 7.096 -2.301 -0.787 158 HG23 VAL 18 3HG2 VAL 18 7.077 -3.178 0.742 159 H LYS 19 H LYS 19 10.182 -2.722 2.798 160 HA LYS 19 HA LYS 19 12.562 -1.376 2.485 161 HB2 LYS 19 2HB LYS 19 11.385 -2.623 4.969 162 HB3 LYS 19 1HB LYS 19 12.771 -1.542 4.989 163 HG2 LYS 19 2HG LYS 19 11.004 -0.069 3.568 164 HG3 LYS 19 1HG LYS 19 9.922 -0.954 4.643 165 HD2 LYS 19 2HD LYS 19 10.379 0.748 6.058 166 HD3 LYS 19 1HD LYS 19 11.823 -0.206 6.399 167 HE2 LYS 19 2HE LYS 19 11.681 1.956 4.306 168 HE3 LYS 19 1HE LYS 19 12.257 2.214 5.952 169 HZ1 LYS 19 1HZ LYS 19 14.020 1.789 4.252 170 HZ2 LYS 19 2HZ LYS 19 13.439 0.206 4.119 171 HZ3 LYS 19 3HZ LYS 19 14.065 0.755 5.592 172 H ALA 20 H ALA 20 12.049 -4.770 3.075 173 HA ALA 20 HA ALA 20 14.874 -5.230 3.635 174 HB1 ALA 20 1HB ALA 20 13.070 -7.537 3.305 175 HB2 ALA 20 2HB ALA 20 12.678 -6.433 4.624 176 HB3 ALA 20 3HB ALA 20 14.265 -7.197 4.556 177 H LEU 21 H LEU 21 12.857 -5.029 0.950 178 HA LEU 21 HA LEU 21 14.004 -7.055 -0.671 179 HB2 LEU 21 2HB LEU 21 11.840 -5.291 -0.783 180 HB3 LEU 21 1HB LEU 21 12.866 -4.814 -2.112 181 HG LEU 21 HG LEU 21 11.722 -6.352 -3.283 182 HD11 LEU 21 1HD1 LEU 21 13.079 -8.497 -1.695 183 HD12 LEU 21 2HD1 LEU 21 13.982 -7.439 -2.779 184 HD13 LEU 21 3HD1 LEU 21 12.696 -8.464 -3.416 185 HD21 LEU 21 1HD2 LEU 21 10.966 -7.554 -0.632 186 HD22 LEU 21 2HD2 LEU 21 10.444 -8.214 -2.181 187 HD23 LEU 21 3HD2 LEU 21 9.965 -6.583 -1.710 188 H GLY 22 H GLY 22 14.475 -5.565 -3.065 189 HA2 GLY 22 2HA GLY 22 17.016 -4.238 -2.342 190 HA3 GLY 22 1HA GLY 22 16.806 -5.220 -3.783 191 H GLY 23 H GLY 23 16.605 -4.100 -5.598 192 HA2 GLY 23 2HA GLY 23 14.764 -2.061 -6.056 193 HA3 GLY 23 1HA GLY 23 16.280 -1.285 -5.627 194 H GLY 24 H GLY 24 15.442 -0.632 -8.015 195 HA2 GLY 24 2HA GLY 24 17.260 -0.811 -9.853 196 HA3 GLY 24 1HA GLY 24 16.679 -2.468 -9.950 197 H GLY 25 H GLY 25 13.893 -1.597 -9.384 198 HA2 GLY 25 2HA GLY 25 12.934 0.264 -11.210 199 HA3 GLY 25 1HA GLY 25 13.058 -1.260 -12.076 200 H ARG 26 H ARG 26 12.101 -3.171 -10.748 201 HA ARG 26 HA ARG 26 9.351 -2.798 -10.541 202 HB2 ARG 26 2HB ARG 26 10.957 -4.961 -10.615 203 HB3 ARG 26 1HB ARG 26 10.555 -4.962 -8.906 204 HG2 ARG 26 2HG ARG 26 8.736 -5.283 -11.261 205 HG3 ARG 26 1HG ARG 26 8.971 -6.359 -9.884 206 HD2 ARG 26 2HD ARG 26 6.988 -5.417 -9.279 207 HD3 ARG 26 1HD ARG 26 8.089 -4.250 -8.550 208 HE ARG 26 HE ARG 26 7.274 -2.680 -9.984 209 HH11 ARG 26 1HH1 ARG 26 6.598 -5.832 -11.319 210 HH12 ARG 26 2HH1 ARG 26 5.675 -5.211 -12.646 211 HH21 ARG 26 1HH2 ARG 26 6.059 -1.861 -11.729 212 HH22 ARG 26 2HH2 ARG 26 5.370 -2.957 -12.880 213 H ILE 27 H ILE 27 11.591 -3.454 -7.849 214 HA ILE 27 HA ILE 27 9.774 -2.888 -5.799 215 HB ILE 27 HB ILE 27 12.776 -2.601 -5.662 216 HG12 ILE 27 2HG1 ILE 27 11.410 -5.067 -4.732 217 HG13 ILE 27 1HG1 ILE 27 11.536 -4.847 -6.474 218 HG21 ILE 27 1HG2 ILE 27 11.419 -3.612 -3.310 219 HG22 ILE 27 2HG2 ILE 27 10.844 -2.009 -3.766 220 HG23 ILE 27 3HG2 ILE 27 12.561 -2.278 -3.469 221 HD11 ILE 27 1HD1 ILE 27 13.457 -5.889 -4.754 222 HD12 ILE 27 2HD1 ILE 27 14.050 -4.290 -5.202 223 HD13 ILE 27 3HD1 ILE 27 13.657 -5.467 -6.455 224 H GLU 28 H GLU 28 11.813 -0.785 -7.700 225 HA GLU 28 HA GLU 28 11.869 1.463 -6.039 226 HB2 GLU 28 2HB GLU 28 12.884 0.864 -8.490 227 HB3 GLU 28 1HB GLU 28 11.613 1.997 -8.930 228 HG2 GLU 28 2HG GLU 28 12.731 3.750 -8.121 229 HG3 GLU 28 1HG GLU 28 13.250 2.878 -6.679 230 H GLU 29 H GLU 29 9.628 0.789 -8.740 231 HA GLU 29 HA GLU 29 7.975 3.009 -8.352 232 HB2 GLU 29 2HB GLU 29 7.890 1.690 -10.391 233 HB3 GLU 29 1HB GLU 29 7.310 0.291 -9.497 234 HG2 GLU 29 2HG GLU 29 5.244 0.939 -9.940 235 HG3 GLU 29 1HG GLU 29 5.510 2.345 -8.911 236 H LEU 30 H LEU 30 8.061 -0.090 -6.762 237 HA LEU 30 HA LEU 30 5.503 0.065 -5.534 238 HB2 LEU 30 2HB LEU 30 7.975 -1.559 -5.024 239 HB3 LEU 30 1HB LEU 30 6.601 -1.647 -3.939 240 HG LEU 30 HG LEU 30 5.993 -2.036 -6.805 241 HD11 LEU 30 1HD1 LEU 30 8.057 -3.262 -6.708 242 HD12 LEU 30 2HD1 LEU 30 6.714 -4.403 -6.706 243 HD13 LEU 30 3HD1 LEU 30 7.570 -4.044 -5.206 244 HD21 LEU 30 1HD2 LEU 30 4.121 -2.575 -5.713 245 HD22 LEU 30 2HD2 LEU 30 4.963 -2.779 -4.177 246 HD23 LEU 30 3HD2 LEU 30 4.931 -4.096 -5.348 247 H LYS 31 H LYS 31 8.558 1.494 -4.832 248 HA LYS 31 HA LYS 31 8.087 1.908 -2.034 249 HB2 LYS 31 2HB LYS 31 10.354 1.714 -2.941 250 HB3 LYS 31 1HB LYS 31 10.104 3.169 -3.896 251 HG2 LYS 31 2HG LYS 31 10.487 4.529 -2.159 252 HG3 LYS 31 1HG LYS 31 9.616 3.495 -1.025 253 HD2 LYS 31 2HD LYS 31 11.476 2.207 -0.567 254 HD3 LYS 31 1HD LYS 31 12.253 2.599 -2.102 255 HE2 LYS 31 2HE LYS 31 12.176 5.044 -1.011 256 HE3 LYS 31 1HE LYS 31 12.245 4.076 0.461 257 HZ1 LYS 31 1HZ LYS 31 14.146 3.704 -1.778 258 HZ2 LYS 31 2HZ LYS 31 14.278 3.128 -0.193 259 HZ3 LYS 31 3HZ LYS 31 14.438 4.782 -0.508 260 H LYS 32 H LYS 32 8.352 4.199 -4.765 261 HA LYS 32 HA LYS 32 7.570 6.480 -3.424 262 HB2 LYS 32 2HB LYS 32 7.846 5.649 -6.181 263 HB3 LYS 32 1HB LYS 32 6.489 6.750 -5.994 264 HG2 LYS 32 2HG LYS 32 8.269 8.119 -4.592 265 HG3 LYS 32 1HG LYS 32 9.390 7.229 -5.625 266 HD2 LYS 32 2HD LYS 32 8.119 8.027 -7.604 267 HD3 LYS 32 1HD LYS 32 7.122 9.004 -6.524 268 HE2 LYS 32 2HE LYS 32 9.304 10.043 -5.718 269 HE3 LYS 32 1HE LYS 32 10.055 9.278 -7.117 270 HZ1 LYS 32 1HZ LYS 32 9.180 11.687 -7.297 271 HZ2 LYS 32 2HZ LYS 32 7.665 10.957 -7.479 272 HZ3 LYS 32 3HZ LYS 32 8.906 10.613 -8.575 273 H LYS 33 H LYS 33 5.545 3.982 -4.848 274 HA LYS 33 HA LYS 33 3.104 5.440 -4.379 275 HB2 LYS 33 2HB LYS 33 3.664 3.659 -6.220 276 HB3 LYS 33 1HB LYS 33 3.167 2.515 -4.983 277 HG2 LYS 33 2HG LYS 33 0.999 3.658 -4.819 278 HG3 LYS 33 1HG LYS 33 1.503 4.756 -6.106 279 HD2 LYS 33 2HD LYS 33 0.180 3.074 -7.130 280 HD3 LYS 33 1HD LYS 33 1.858 2.715 -7.546 281 HE2 LYS 33 2HE LYS 33 1.262 0.633 -6.889 282 HE3 LYS 33 1HE LYS 33 1.645 1.279 -5.296 283 HZ1 LYS 33 1HZ LYS 33 -0.586 0.076 -5.667 284 HZ2 LYS 33 2HZ LYS 33 -1.085 1.533 -6.366 285 HZ3 LYS 33 3HZ LYS 33 -0.568 1.501 -4.756 286 H CYS 34 H CYS 34 5.020 3.136 -2.644 287 HA CYS 34 HA CYS 34 3.052 2.008 -0.987 288 HB2 CYS 34 2HB CYS 34 5.847 1.849 -1.280 289 HB3 CYS 34 1HB CYS 34 5.569 2.287 0.396 290 H GLU 35 H GLU 35 5.361 4.617 -0.179 291 HA GLU 35 HA GLU 35 4.169 5.195 2.305 292 HB2 GLU 35 2HB GLU 35 5.541 7.301 2.189 293 HB3 GLU 35 1HB GLU 35 6.440 5.801 2.008 294 HG2 GLU 35 2HG GLU 35 7.233 6.456 0.057 295 HG3 GLU 35 1HG GLU 35 5.602 6.711 -0.556 296 H GLU 36 H GLU 36 3.814 6.710 -0.876 297 HA GLU 36 HA GLU 36 2.265 8.896 -0.091 298 HB2 GLU 36 2HB GLU 36 3.301 8.540 -2.349 299 HB3 GLU 36 1HB GLU 36 2.018 7.390 -2.698 300 HG2 GLU 36 2HG GLU 36 0.623 9.595 -1.876 301 HG3 GLU 36 1HG GLU 36 1.989 10.302 -2.737 302 H LEU 37 H LEU 37 1.447 5.559 -0.514 303 HA LEU 37 HA LEU 37 -1.365 5.863 -0.729 304 HB2 LEU 37 2HB LEU 37 -0.457 3.852 -1.534 305 HB3 LEU 37 1HB LEU 37 0.459 3.575 -0.066 306 HG LEU 37 HG LEU 37 -1.429 2.827 1.115 307 HD11 LEU 37 1HD1 LEU 37 -2.870 4.541 -0.720 308 HD12 LEU 37 2HD1 LEU 37 -3.331 3.960 0.879 309 HD13 LEU 37 3HD1 LEU 37 -3.646 2.968 -0.545 310 HD21 LEU 37 1HD2 LEU 37 -1.530 0.873 0.064 311 HD22 LEU 37 2HD2 LEU 37 -0.665 1.624 -1.277 312 HD23 LEU 37 3HD2 LEU 37 -2.428 1.572 -1.283 313 H LYS 38 H LYS 38 0.769 5.089 2.016 314 HA LYS 38 HA LYS 38 -1.186 4.692 3.950 315 HB2 LYS 38 2HB LYS 38 1.603 4.841 3.888 316 HB3 LYS 38 1HB LYS 38 1.116 6.073 5.043 317 HG2 LYS 38 2HG LYS 38 -0.386 4.175 6.010 318 HG3 LYS 38 1HG LYS 38 0.738 3.119 5.152 319 HD2 LYS 38 2HD LYS 38 2.192 5.134 6.595 320 HD3 LYS 38 1HD LYS 38 1.074 4.304 7.680 321 HE2 LYS 38 2HE LYS 38 2.542 2.533 5.863 322 HE3 LYS 38 1HE LYS 38 3.560 3.410 7.005 323 HZ1 LYS 38 1HZ LYS 38 3.008 1.538 8.188 324 HZ2 LYS 38 2HZ LYS 38 1.449 1.435 7.541 325 HZ3 LYS 38 3HZ LYS 38 1.803 2.607 8.710 326 H LYS 39 H LYS 39 0.632 7.704 3.370 327 HA LYS 39 HA LYS 39 -0.679 9.346 5.143 328 HB2 LYS 39 2HB LYS 39 0.098 11.216 3.802 329 HB3 LYS 39 1HB LYS 39 1.344 9.978 3.885 330 HG2 LYS 39 2HG LYS 39 0.551 9.169 1.649 331 HG3 LYS 39 1HG LYS 39 -0.464 10.611 1.570 332 HD2 LYS 39 2HD LYS 39 1.852 11.780 2.175 333 HD3 LYS 39 1HD LYS 39 2.485 10.340 1.377 334 HE2 LYS 39 2HE LYS 39 2.133 11.351 -0.571 335 HE3 LYS 39 1HE LYS 39 0.402 11.240 -0.256 336 HZ1 LYS 39 1HZ LYS 39 0.272 13.409 0.282 337 HZ2 LYS 39 2HZ LYS 39 1.668 13.534 -0.665 338 HZ3 LYS 39 3HZ LYS 39 1.796 13.449 1.019 339 H LYS 40 H LYS 40 -1.784 8.168 2.061 340 HA LYS 40 HA LYS 40 -3.846 10.085 1.667 341 HB2 LYS 40 2HB LYS 40 -2.926 8.688 -0.154 342 HB3 LYS 40 1HB LYS 40 -3.638 7.264 0.594 343 HG2 LYS 40 2HG LYS 40 -5.802 7.906 0.058 344 HG3 LYS 40 1HG LYS 40 -5.347 9.596 -0.169 345 HD2 LYS 40 2HD LYS 40 -3.810 8.385 -2.050 346 HD3 LYS 40 1HD LYS 40 -5.227 7.333 -2.043 347 HE2 LYS 40 2HE LYS 40 -6.085 8.835 -3.472 348 HE3 LYS 40 1HE LYS 40 -6.382 9.796 -2.023 349 HZ1 LYS 40 1HZ LYS 40 -5.217 11.325 -3.159 350 HZ2 LYS 40 2HZ LYS 40 -4.439 10.189 -4.140 351 HZ3 LYS 40 3HZ LYS 40 -3.870 10.483 -2.575 352 H ILE 41 H ILE 41 -3.614 7.115 3.483 353 HA ILE 41 HA ILE 41 -6.438 6.782 3.847 354 HB ILE 41 HB ILE 41 -4.303 5.640 5.642 355 HG12 ILE 41 2HG1 ILE 41 -5.232 4.636 2.942 356 HG13 ILE 41 1HG1 ILE 41 -3.604 5.144 3.376 357 HG21 ILE 41 1HG2 ILE 41 -5.960 3.766 5.775 358 HG22 ILE 41 2HG2 ILE 41 -7.087 4.785 4.879 359 HG23 ILE 41 3HG2 ILE 41 -6.510 5.294 6.467 360 HD11 ILE 41 1HD1 ILE 41 -5.000 2.605 3.901 361 HD12 ILE 41 2HD1 ILE 41 -3.944 3.204 5.180 362 HD13 ILE 41 3HD1 ILE 41 -3.299 2.924 3.563 363 H GLU 42 H GLU 42 -3.863 8.442 5.530 364 HA GLU 42 HA GLU 42 -5.274 8.898 7.955 365 HB2 GLU 42 2HB GLU 42 -2.718 9.645 6.791 366 HB3 GLU 42 1HB GLU 42 -3.442 10.985 7.667 367 HG2 GLU 42 2HG GLU 42 -3.634 8.521 9.160 368 HG3 GLU 42 1HG GLU 42 -1.966 8.893 8.728 369 H GLU 43 H GLU 43 -5.110 10.522 4.870 370 HA GLU 43 HA GLU 43 -6.391 12.927 5.755 371 HB2 GLU 43 2HB GLU 43 -6.358 13.603 3.479 372 HB3 GLU 43 1HB GLU 43 -4.856 12.738 3.756 373 HG2 GLU 43 2HG GLU 43 -5.320 11.254 2.180 374 HG3 GLU 43 1HG GLU 43 -6.937 10.969 2.812 375 H LEU 44 H LEU 44 -7.398 9.852 4.505 376 HA LEU 44 HA LEU 44 -10.002 10.496 3.681 377 HB2 LEU 44 2HB LEU 44 -8.495 8.054 4.341 378 HB3 LEU 44 1HB LEU 44 -10.230 7.917 4.532 379 HG LEU 44 HG LEU 44 -8.753 8.658 2.007 380 HD11 LEU 44 1HD1 LEU 44 -10.164 6.202 2.972 381 HD12 LEU 44 2HD1 LEU 44 -8.574 6.357 2.226 382 HD13 LEU 44 3HD1 LEU 44 -10.028 6.551 1.247 383 HD21 LEU 44 1HD2 LEU 44 -10.715 9.927 1.906 384 HD22 LEU 44 2HD2 LEU 44 -11.675 8.671 2.686 385 HD23 LEU 44 3HD2 LEU 44 -11.109 8.448 1.031 386 H GLY 45 H GLY 45 -12.026 9.901 4.745 387 HA2 GLY 45 2HA GLY 45 -11.910 9.848 7.674 388 HA3 GLY 45 1HA GLY 45 -12.784 11.163 6.906 389 H GLY 46 H GLY 46 -14.580 10.555 5.457 390 HA2 GLY 46 2HA GLY 46 -15.711 7.903 5.971 391 HA3 GLY 46 1HA GLY 46 -16.643 9.300 6.488 392 H GLY 47 H GLY 47 -17.612 7.428 4.653 393 HA2 GLY 47 2HA GLY 47 -19.072 8.190 2.828 394 HA3 GLY 47 1HA GLY 47 -17.687 9.065 2.193 395 H GLY 48 H GLY 48 -18.167 7.920 0.191 396 HA2 GLY 48 2HA GLY 48 -17.479 5.067 0.221 397 HA3 GLY 48 1HA GLY 48 -18.240 5.928 -1.108 398 H GLU 49 H GLU 49 -15.503 7.337 0.490 399 HA GLU 49 HA GLU 49 -13.976 7.130 -1.973 400 HB2 GLU 49 2HB GLU 49 -14.255 9.244 -0.501 401 HB3 GLU 49 1HB GLU 49 -13.042 8.500 0.532 402 HG2 GLU 49 2HG GLU 49 -11.367 8.876 -0.925 403 HG3 GLU 49 1HG GLU 49 -12.393 8.626 -2.336 404 H VAL 50 H VAL 50 -14.019 5.792 1.231 405 HA VAL 50 HA VAL 50 -11.396 4.929 1.520 406 HB VAL 50 HB VAL 50 -13.822 3.362 2.392 407 HG11 VAL 50 1HG1 VAL 50 -10.945 3.431 3.228 408 HG12 VAL 50 2HG1 VAL 50 -11.952 2.043 2.812 409 HG13 VAL 50 3HG1 VAL 50 -12.202 2.888 4.340 410 HG21 VAL 50 1HG2 VAL 50 -12.547 5.815 3.563 411 HG22 VAL 50 2HG2 VAL 50 -13.476 4.687 4.551 412 HG23 VAL 50 3HG2 VAL 50 -14.248 5.521 3.201 413 H LYS 51 H LYS 51 -13.857 3.794 -0.624 414 HA LYS 51 HA LYS 51 -12.772 1.195 -1.076 415 HB2 LYS 51 2HB LYS 51 -15.145 1.856 -1.536 416 HB3 LYS 51 1HB LYS 51 -14.565 2.802 -2.901 417 HG2 LYS 51 2HG LYS 51 -13.747 0.812 -3.988 418 HG3 LYS 51 1HG LYS 51 -14.182 -0.168 -2.586 419 HD2 LYS 51 2HD LYS 51 -16.567 0.706 -2.972 420 HD3 LYS 51 1HD LYS 51 -15.983 1.195 -4.564 421 HE2 LYS 51 2HE LYS 51 -15.078 -1.389 -4.352 422 HE3 LYS 51 1HE LYS 51 -16.639 -1.458 -3.536 423 HZ1 LYS 51 1HZ LYS 51 -17.626 -0.413 -5.520 424 HZ2 LYS 51 2HZ LYS 51 -16.932 -1.919 -5.854 425 HZ3 LYS 51 3HZ LYS 51 -16.127 -0.499 -6.298 426 H LYS 52 H LYS 52 -12.271 4.366 -2.469 427 HA LYS 52 HA LYS 52 -10.910 3.549 -4.807 428 HB2 LYS 52 2HB LYS 52 -11.773 5.778 -4.694 429 HB3 LYS 52 1HB LYS 52 -10.867 6.122 -3.227 430 HG2 LYS 52 2HG LYS 52 -9.844 7.222 -5.112 431 HG3 LYS 52 1HG LYS 52 -8.773 5.958 -4.500 432 HD2 LYS 52 2HD LYS 52 -9.615 4.451 -6.281 433 HD3 LYS 52 1HD LYS 52 -10.567 5.792 -6.922 434 HE2 LYS 52 2HE LYS 52 -7.662 6.232 -6.493 435 HE3 LYS 52 1HE LYS 52 -8.145 5.206 -7.843 436 HZ1 LYS 52 1HZ LYS 52 -7.890 7.640 -8.344 437 HZ2 LYS 52 2HZ LYS 52 -9.271 7.911 -7.407 438 HZ3 LYS 52 3HZ LYS 52 -9.370 6.958 -8.799 439 H VAL 53 H VAL 53 -9.620 4.846 -1.741 440 HA VAL 53 HA VAL 53 -6.919 4.439 -2.307 441 HB VAL 53 HB VAL 53 -8.162 4.258 0.437 442 HG11 VAL 53 1HG1 VAL 53 -5.933 3.679 0.681 443 HG12 VAL 53 2HG1 VAL 53 -5.907 5.420 0.964 444 HG13 VAL 53 3HG1 VAL 53 -5.403 4.772 -0.597 445 HG21 VAL 53 1HG2 VAL 53 -7.624 6.744 0.495 446 HG22 VAL 53 2HG2 VAL 53 -9.025 6.257 -0.460 447 HG23 VAL 53 3HG2 VAL 53 -7.504 6.648 -1.262 448 H GLU 54 H GLU 54 -9.376 2.206 -1.262 449 HA GLU 54 HA GLU 54 -7.716 0.169 -0.248 450 HB2 GLU 54 2HB GLU 54 -10.216 0.337 0.021 451 HB3 GLU 54 1HB GLU 54 -10.369 -0.210 -1.643 452 HG2 GLU 54 2HG GLU 54 -8.711 -2.091 -0.506 453 HG3 GLU 54 1HG GLU 54 -9.857 -1.721 0.781 454 H GLU 55 H GLU 55 -8.908 0.872 -3.494 455 HA GLU 55 HA GLU 55 -7.863 -1.467 -4.715 456 HB2 GLU 55 2HB GLU 55 -9.663 -0.141 -5.729 457 HB3 GLU 55 1HB GLU 55 -8.558 1.211 -5.936 458 HG2 GLU 55 2HG GLU 55 -7.663 0.352 -7.790 459 HG3 GLU 55 1HG GLU 55 -7.603 -1.279 -7.123 460 H GLU 56 H GLU 56 -6.526 1.627 -3.884 461 HA GLU 56 HA GLU 56 -4.264 1.537 -5.601 462 HB2 GLU 56 2HB GLU 56 -5.067 3.145 -3.213 463 HB3 GLU 56 1HB GLU 56 -3.390 3.191 -3.738 464 HG2 GLU 56 2HG GLU 56 -4.622 3.612 -6.088 465 HG3 GLU 56 1HG GLU 56 -5.802 4.323 -4.987 466 H VAL 57 H VAL 57 -4.987 0.204 -2.468 467 HA VAL 57 HA VAL 57 -2.234 -0.400 -1.834 468 HB VAL 57 HB VAL 57 -4.674 -1.551 -0.485 469 HG11 VAL 57 1HG1 VAL 57 -3.287 -2.058 1.302 470 HG12 VAL 57 2HG1 VAL 57 -2.055 -0.898 0.806 471 HG13 VAL 57 3HG1 VAL 57 -2.263 -2.400 -0.094 472 HG21 VAL 57 1HG2 VAL 57 -3.389 0.777 0.762 473 HG22 VAL 57 2HG2 VAL 57 -5.094 0.348 0.645 474 HG23 VAL 57 3HG2 VAL 57 -4.286 1.124 -0.716 475 H LYS 58 H LYS 58 -4.894 -1.935 -3.421 476 HA LYS 58 HA LYS 58 -3.923 -4.614 -3.198 477 HB2 LYS 58 2HB LYS 58 -6.201 -3.240 -4.384 478 HB3 LYS 58 1HB LYS 58 -5.606 -4.548 -5.398 479 HG2 LYS 58 2HG LYS 58 -7.366 -5.316 -3.910 480 HG3 LYS 58 1HG LYS 58 -5.833 -6.107 -3.541 481 HD2 LYS 58 2HD LYS 58 -5.766 -5.248 -1.475 482 HD3 LYS 58 1HD LYS 58 -6.233 -3.641 -2.039 483 HE2 LYS 58 2HE LYS 58 -8.542 -4.205 -1.988 484 HE3 LYS 58 1HE LYS 58 -8.184 -5.915 -1.741 485 HZ1 LYS 58 1HZ LYS 58 -7.110 -4.113 0.261 486 HZ2 LYS 58 2HZ LYS 58 -7.863 -5.617 0.448 487 HZ3 LYS 58 3HZ LYS 58 -8.798 -4.225 0.226 488 H LYS 59 H LYS 59 -3.423 -1.973 -5.416 489 HA LYS 59 HA LYS 59 -2.358 -3.568 -7.537 490 HB2 LYS 59 2HB LYS 59 -3.367 -1.369 -7.952 491 HB3 LYS 59 1HB LYS 59 -2.091 -0.602 -7.016 492 HG2 LYS 59 2HG LYS 59 -0.856 -2.201 -9.000 493 HG3 LYS 59 1HG LYS 59 -2.127 -1.259 -9.779 494 HD2 LYS 59 2HD LYS 59 -0.423 0.197 -7.858 495 HD3 LYS 59 1HD LYS 59 0.365 -0.333 -9.345 496 HE2 LYS 59 2HE LYS 59 -2.226 1.203 -9.282 497 HE3 LYS 59 1HE LYS 59 -0.643 1.967 -9.424 498 HZ1 LYS 59 1HZ LYS 59 -0.428 1.325 -11.552 499 HZ2 LYS 59 2HZ LYS 59 -2.115 1.217 -11.510 500 HZ3 LYS 59 3HZ LYS 59 -1.174 -0.174 -11.308 501 H LEU 60 H LEU 60 -0.958 -1.770 -4.833 502 HA LEU 60 HA LEU 60 1.735 -2.156 -5.739 503 HB2 LEU 60 2HB LEU 60 0.958 -0.266 -4.259 504 HB3 LEU 60 1HB LEU 60 0.853 -1.428 -2.949 505 HG LEU 60 HG LEU 60 3.435 -1.437 -4.328 506 HD11 LEU 60 1HD1 LEU 60 3.826 0.702 -2.670 507 HD12 LEU 60 2HD1 LEU 60 2.289 1.082 -3.448 508 HD13 LEU 60 3HD1 LEU 60 3.719 0.757 -4.429 509 HD21 LEU 60 1HD2 LEU 60 2.826 -2.656 -2.230 510 HD22 LEU 60 2HD2 LEU 60 2.767 -1.091 -1.421 511 HD23 LEU 60 3HD2 LEU 60 4.281 -1.664 -2.124 512 H GLU 61 H GLU 61 -0.483 -3.944 -3.746 513 HA GLU 61 HA GLU 61 1.404 -5.544 -2.383 514 HB2 GLU 61 2HB GLU 61 -1.305 -5.203 -2.263 515 HB3 GLU 61 1HB GLU 61 -1.185 -6.787 -3.014 516 HG2 GLU 61 2HG GLU 61 0.612 -6.970 -0.958 517 HG3 GLU 61 1HG GLU 61 -0.662 -5.962 -0.274 518 H GLU 62 H GLU 62 -0.643 -6.257 -5.209 519 HA GLU 62 HA GLU 62 0.537 -8.730 -5.820 520 HB2 GLU 62 2HB GLU 62 -1.638 -7.404 -6.710 521 HB3 GLU 62 1HB GLU 62 -0.544 -7.110 -8.054 522 HG2 GLU 62 2HG GLU 62 -0.144 -9.637 -8.033 523 HG3 GLU 62 1HG GLU 62 -1.579 -9.718 -7.013 524 H GLU 63 H GLU 63 1.483 -5.464 -6.500 525 HA GLU 63 HA GLU 63 3.166 -5.884 -8.697 526 HB2 GLU 63 2HB GLU 63 2.754 -3.777 -6.685 527 HB3 GLU 63 1HB GLU 63 4.369 -3.817 -7.372 528 HG2 GLU 63 2HG GLU 63 2.787 -4.052 -9.589 529 HG3 GLU 63 1HG GLU 63 1.847 -2.975 -8.556 530 H ILE 64 H ILE 64 3.839 -6.004 -5.213 531 HA ILE 64 HA ILE 64 6.614 -6.523 -5.474 532 HB ILE 64 HB ILE 64 4.875 -7.374 -3.160 533 HG12 ILE 64 2HG1 ILE 64 6.106 -4.670 -3.732 534 HG13 ILE 64 1HG1 ILE 64 4.391 -5.037 -3.610 535 HG21 ILE 64 1HG2 ILE 64 6.769 -7.756 -2.024 536 HG22 ILE 64 2HG2 ILE 64 7.568 -6.328 -2.682 537 HG23 ILE 64 3HG2 ILE 64 7.524 -7.822 -3.616 538 HD11 ILE 64 1HD1 ILE 64 5.462 -3.902 -1.624 539 HD12 ILE 64 2HD1 ILE 64 6.275 -5.436 -1.313 540 HD13 ILE 64 3HD1 ILE 64 4.514 -5.351 -1.288 541 H LYS 65 H LYS 65 3.790 -8.503 -5.726 542 HA LYS 65 HA LYS 65 4.909 -11.014 -5.127 543 HB2 LYS 65 2HB LYS 65 2.414 -10.034 -5.950 544 HB3 LYS 65 1HB LYS 65 2.893 -11.178 -7.195 545 HG2 LYS 65 2HG LYS 65 1.572 -12.261 -5.473 546 HG3 LYS 65 1HG LYS 65 3.215 -12.902 -5.501 547 HD2 LYS 65 2HD LYS 65 3.085 -10.665 -3.711 548 HD3 LYS 65 1HD LYS 65 1.810 -11.818 -3.310 549 HE2 LYS 65 2HE LYS 65 3.719 -13.579 -3.546 550 HE3 LYS 65 1HE LYS 65 4.777 -12.188 -3.308 551 HZ1 LYS 65 1HZ LYS 65 4.318 -13.244 -1.211 552 HZ2 LYS 65 2HZ LYS 65 2.649 -13.114 -1.454 553 HZ3 LYS 65 3HZ LYS 65 3.581 -11.720 -1.234 554 H LYS 66 H LYS 66 4.895 -9.069 -8.043 555 HA LYS 66 HA LYS 66 5.732 -11.042 -9.863 556 HB2 LYS 66 2HB LYS 66 5.933 -8.048 -9.804 557 HB3 LYS 66 1HB LYS 66 6.715 -8.964 -11.085 558 HG2 LYS 66 2HG LYS 66 3.888 -9.619 -10.564 559 HG3 LYS 66 1HG LYS 66 4.212 -8.023 -11.245 560 HD2 LYS 66 2HD LYS 66 5.366 -8.990 -13.114 561 HD3 LYS 66 1HD LYS 66 5.283 -10.598 -12.392 562 HE2 LYS 66 2HE LYS 66 3.601 -10.452 -14.090 563 HE3 LYS 66 1HE LYS 66 2.801 -10.455 -12.519 564 HZ1 LYS 66 1HZ LYS 66 3.320 -8.080 -14.224 565 HZ2 LYS 66 2HZ LYS 66 2.637 -8.025 -12.678 566 HZ3 LYS 66 3HZ LYS 66 1.817 -8.802 -13.937 567 H LEU 67 H LEU 67 7.715 -8.471 -8.381 568 HA LEU 67 HA LEU 67 10.186 -9.483 -9.152 569 HB2 LEU 67 2HB LEU 67 11.044 -8.125 -7.198 570 HB3 LEU 67 1HB LEU 67 10.120 -7.261 -8.406 571 HG LEU 67 HG LEU 67 8.173 -7.936 -6.609 572 HD11 LEU 67 1HD1 LEU 67 9.412 -8.780 -4.867 573 HD12 LEU 67 2HD1 LEU 67 9.305 -7.076 -4.428 574 HD13 LEU 67 3HD1 LEU 67 10.775 -7.705 -5.172 575 HD21 LEU 67 1HD2 LEU 67 9.799 -5.536 -7.182 576 HD22 LEU 67 2HD2 LEU 67 8.828 -5.508 -5.710 577 HD23 LEU 67 3HD2 LEU 67 8.055 -5.775 -7.272 578 H6 HTS 101 H6 HTS 68 7.953 3.371 3.631 579 H3 HTS 101 H3 HTS 68 7.734 -0.909 1.196 580 H4 HTS 101 H4 HTS 68 9.917 0.147 1.636 581 H5 HTS 101 H5 HTS 68 10.024 2.282 2.862 582 HO1 HTS 101 HO1 HTS 68 5.555 3.375 3.105 Start of MODEL 29 1 H1 GLY 1 1H GLY 1 -15.769 0.996 15.302 2 H2 GLY 1 2H GLY 1 -16.780 -0.296 15.710 3 H3 GLY 1 3H GLY 1 -17.326 0.902 14.647 4 HA2 GLY 1 1HA GLY 1 -15.201 -1.106 14.148 5 HA3 GLY 1 2HA GLY 1 -16.770 -1.013 13.363 6 H SER 2 H SER 2 -13.522 -0.094 13.231 7 HA SER 2 HA SER 2 -14.098 1.863 11.104 8 HB2 SER 2 2HB SER 2 -12.806 2.618 13.199 9 HB3 SER 2 1HB SER 2 -11.470 1.659 12.564 10 HG SER 2 HG SER 2 -11.822 2.942 10.568 11 H ARG 3 H ARG 3 -14.059 0.730 9.249 12 HA ARG 3 HA ARG 3 -12.376 -1.511 8.789 13 HB2 ARG 3 2HB ARG 3 -14.627 -0.690 7.631 14 HB3 ARG 3 1HB ARG 3 -13.492 0.033 6.499 15 HG2 ARG 3 2HG ARG 3 -13.073 -2.811 7.212 16 HG3 ARG 3 1HG ARG 3 -14.455 -2.419 6.188 17 HD2 ARG 3 2HD ARG 3 -13.099 -1.528 4.502 18 HD3 ARG 3 1HD ARG 3 -11.714 -1.365 5.580 19 HE ARG 3 HE ARG 3 -11.127 -3.502 5.055 20 HH11 ARG 3 1HH1 ARG 3 -14.509 -3.082 4.303 21 HH12 ARG 3 2HH1 ARG 3 -14.672 -4.647 3.581 22 HH21 ARG 3 1HH2 ARG 3 -11.339 -5.562 4.107 23 HH22 ARG 3 2HH2 ARG 3 -12.873 -6.056 3.470 24 H VAL 4 H VAL 4 -12.081 1.919 8.194 25 HA VAL 4 HA VAL 4 -9.899 1.776 6.380 26 HB VAL 4 HB VAL 4 -10.510 4.086 8.222 27 HG11 VAL 4 1HG1 VAL 4 -9.012 3.760 5.649 28 HG12 VAL 4 2HG1 VAL 4 -8.499 4.535 7.148 29 HG13 VAL 4 3HG1 VAL 4 -9.689 5.321 6.111 30 HG21 VAL 4 1HG2 VAL 4 -12.095 2.979 6.042 31 HG22 VAL 4 2HG2 VAL 4 -11.695 4.681 5.812 32 HG23 VAL 4 3HG2 VAL 4 -12.533 4.161 7.274 33 H LYS 5 H LYS 5 -10.139 2.096 9.892 34 HA LYS 5 HA LYS 5 -7.473 2.632 10.483 35 HB2 LYS 5 2HB LYS 5 -9.690 2.332 11.974 36 HB3 LYS 5 1HB LYS 5 -8.919 0.787 12.301 37 HG2 LYS 5 2HG LYS 5 -6.851 2.075 12.927 38 HG3 LYS 5 1HG LYS 5 -7.836 3.536 12.840 39 HD2 LYS 5 2HD LYS 5 -9.400 1.986 14.403 40 HD3 LYS 5 1HD LYS 5 -7.803 1.386 14.856 41 HE2 LYS 5 2HE LYS 5 -7.225 3.312 15.882 42 HE3 LYS 5 1HE LYS 5 -8.063 4.315 14.697 43 HZ1 LYS 5 1HZ LYS 5 -8.922 4.058 17.160 44 HZ2 LYS 5 2HZ LYS 5 -9.702 2.707 16.505 45 HZ3 LYS 5 3HZ LYS 5 -9.992 4.245 15.862 46 H ALA 6 H ALA 6 -9.056 -0.370 9.650 47 HA ALA 6 HA ALA 6 -6.829 -2.039 10.367 48 HB1 ALA 6 1HB ALA 6 -8.829 -3.055 8.448 49 HB2 ALA 6 2HB ALA 6 -9.443 -2.552 10.022 50 HB3 ALA 6 3HB ALA 6 -8.189 -3.788 9.919 51 H LEU 7 H LEU 7 -7.838 -0.255 7.577 52 HA LEU 7 HA LEU 7 -6.361 -1.660 5.611 53 HB2 LEU 7 2HB LEU 7 -8.225 0.293 5.545 54 HB3 LEU 7 1HB LEU 7 -6.781 1.247 5.263 55 HG LEU 7 HG LEU 7 -7.769 -1.060 3.591 56 HD11 LEU 7 1HD1 LEU 7 -7.949 0.675 1.847 57 HD12 LEU 7 2HD1 LEU 7 -7.526 1.893 3.049 58 HD13 LEU 7 3HD1 LEU 7 -9.018 0.968 3.219 59 HD21 LEU 7 1HD2 LEU 7 -5.827 -0.140 2.100 60 HD22 LEU 7 2HD2 LEU 7 -5.494 -1.312 3.375 61 HD23 LEU 7 3HD2 LEU 7 -5.171 0.401 3.645 62 H GLU 8 H GLU 8 -5.516 0.783 7.943 63 HA GLU 8 HA GLU 8 -3.060 1.543 6.673 64 HB2 GLU 8 2HB GLU 8 -4.086 2.005 9.477 65 HB3 GLU 8 1HB GLU 8 -2.612 2.712 8.828 66 HG2 GLU 8 2HG GLU 8 -3.806 4.021 7.273 67 HG3 GLU 8 1HG GLU 8 -5.297 3.125 7.554 68 H GLU 9 H GLU 9 -4.005 -0.786 9.125 69 HA GLU 9 HA GLU 9 -1.335 -1.377 9.960 70 HB2 GLU 9 2HB GLU 9 -2.292 -3.140 11.259 71 HB3 GLU 9 1HB GLU 9 -3.374 -1.760 11.358 72 HG2 GLU 9 2HG GLU 9 -5.066 -2.916 10.514 73 HG3 GLU 9 1HG GLU 9 -4.090 -3.503 9.170 74 H LYS 10 H LYS 10 -3.370 -2.431 7.373 75 HA LYS 10 HA LYS 10 -2.081 -4.910 6.851 76 HB2 LYS 10 2HB LYS 10 -4.265 -3.423 5.789 77 HB3 LYS 10 1HB LYS 10 -3.193 -3.824 4.455 78 HG2 LYS 10 2HG LYS 10 -3.265 -6.213 5.574 79 HG3 LYS 10 1HG LYS 10 -4.796 -5.604 6.205 80 HD2 LYS 10 2HD LYS 10 -5.657 -5.249 4.026 81 HD3 LYS 10 1HD LYS 10 -4.071 -5.479 3.286 82 HE2 LYS 10 2HE LYS 10 -4.259 -7.717 3.291 83 HE3 LYS 10 1HE LYS 10 -4.995 -7.748 4.893 84 HZ1 LYS 10 1HZ LYS 10 -6.362 -7.165 2.322 85 HZ2 LYS 10 2HZ LYS 10 -7.093 -7.028 3.841 86 HZ3 LYS 10 3HZ LYS 10 -6.565 -8.538 3.290 87 H VAL 11 H VAL 11 -1.841 -1.711 5.310 88 HA VAL 11 HA VAL 11 0.215 -2.398 3.517 89 HB VAL 11 HB VAL 11 -0.324 0.349 4.650 90 HG11 VAL 11 1HG1 VAL 11 1.789 -0.148 3.268 91 HG12 VAL 11 2HG1 VAL 11 0.789 1.225 2.798 92 HG13 VAL 11 3HG1 VAL 11 0.685 -0.290 1.900 93 HG21 VAL 11 1HG2 VAL 11 -1.845 -1.317 2.750 94 HG22 VAL 11 2HG2 VAL 11 -1.590 0.363 2.278 95 HG23 VAL 11 3HG2 VAL 11 -2.387 -0.013 3.806 96 H LYS 12 H LYS 12 0.257 -1.443 6.847 97 HA LYS 12 HA LYS 12 2.878 -0.564 7.144 98 HB2 LYS 12 2HB LYS 12 1.222 -0.390 8.930 99 HB3 LYS 12 1HB LYS 12 1.182 -2.140 9.091 100 HG2 LYS 12 2HG LYS 12 3.871 -1.110 9.352 101 HG3 LYS 12 1HG LYS 12 2.768 -0.368 10.514 102 HD2 LYS 12 2HD LYS 12 2.008 -2.927 10.758 103 HD3 LYS 12 1HD LYS 12 3.691 -3.171 10.285 104 HE2 LYS 12 2HE LYS 12 3.293 -1.112 12.333 105 HE3 LYS 12 1HE LYS 12 2.823 -2.735 12.835 106 HZ1 LYS 12 1HZ LYS 12 5.004 -2.847 13.346 107 HZ2 LYS 12 2HZ LYS 12 5.461 -1.672 12.219 108 HZ3 LYS 12 3HZ LYS 12 5.160 -3.257 11.711 109 H ALA 13 H ALA 13 1.581 -3.840 7.037 110 HA ALA 13 HA ALA 13 4.130 -5.068 7.622 111 HB1 ALA 13 1HB ALA 13 1.704 -6.000 8.000 112 HB2 ALA 13 2HB ALA 13 3.025 -7.089 7.580 113 HB3 ALA 13 3HB ALA 13 1.887 -6.564 6.340 114 H LEU 14 H LEU 14 2.311 -4.054 4.882 115 HA LEU 14 HA LEU 14 3.524 -5.484 2.813 116 HB2 LEU 14 2HB LEU 14 1.463 -3.896 2.901 117 HB3 LEU 14 1HB LEU 14 2.620 -2.635 2.540 118 HG LEU 14 HG LEU 14 2.184 -5.077 0.818 119 HD11 LEU 14 1HD1 LEU 14 0.752 -2.514 0.997 120 HD12 LEU 14 2HD1 LEU 14 0.223 -4.071 0.362 121 HD13 LEU 14 3HD1 LEU 14 1.226 -3.011 -0.628 122 HD21 LEU 14 1HD2 LEU 14 3.253 -3.396 -0.856 123 HD22 LEU 14 2HD2 LEU 14 4.279 -4.309 0.248 124 HD23 LEU 14 3HD2 LEU 14 3.878 -2.628 0.603 125 H GLU 15 H GLU 15 4.635 -2.821 4.725 126 HA GLU 15 HA GLU 15 6.665 -1.933 2.911 127 HB2 GLU 15 2HB GLU 15 5.783 -0.309 4.403 128 HB3 GLU 15 1HB GLU 15 6.034 -1.344 5.801 129 HG2 GLU 15 2HG GLU 15 8.429 -1.076 5.610 130 HG3 GLU 15 1HG GLU 15 8.228 -0.124 4.140 131 H GLU 16 H GLU 16 6.595 -3.920 5.851 132 HA GLU 16 HA GLU 16 9.302 -4.275 6.260 133 HB2 GLU 16 2HB GLU 16 7.068 -6.275 6.639 134 HB3 GLU 16 1HB GLU 16 8.689 -6.454 7.298 135 HG2 GLU 16 2HG GLU 16 7.062 -4.025 7.916 136 HG3 GLU 16 1HG GLU 16 6.802 -5.530 8.796 137 H LYS 17 H LYS 17 7.241 -5.715 3.838 138 HA LYS 17 HA LYS 17 9.114 -7.731 3.042 139 HB2 LYS 17 2HB LYS 17 6.499 -7.561 2.704 140 HB3 LYS 17 1HB LYS 17 6.965 -6.755 1.212 141 HG2 LYS 17 2HG LYS 17 8.311 -8.726 0.600 142 HG3 LYS 17 1HG LYS 17 7.755 -9.532 2.067 143 HD2 LYS 17 2HD LYS 17 5.412 -8.679 0.895 144 HD3 LYS 17 1HD LYS 17 6.402 -9.151 -0.487 145 HE2 LYS 17 2HE LYS 17 6.762 -11.342 0.479 146 HE3 LYS 17 1HE LYS 17 5.880 -10.875 1.932 147 HZ1 LYS 17 1HZ LYS 17 3.883 -11.023 0.881 148 HZ2 LYS 17 2HZ LYS 17 4.727 -12.194 -0.001 149 HZ3 LYS 17 3HZ LYS 17 4.510 -10.645 -0.644 150 H VAL 18 H VAL 18 8.306 -4.478 1.955 151 HA VAL 18 HA VAL 18 9.985 -4.603 -0.370 152 HB VAL 18 HB VAL 18 8.909 -2.132 0.957 153 HG11 VAL 18 1HG1 VAL 18 9.197 -2.332 -1.969 154 HG12 VAL 18 2HG1 VAL 18 10.697 -2.292 -1.044 155 HG13 VAL 18 3HG1 VAL 18 9.528 -0.981 -0.885 156 HG21 VAL 18 1HG2 VAL 18 6.911 -2.326 -0.265 157 HG22 VAL 18 2HG2 VAL 18 7.180 -3.929 0.419 158 HG23 VAL 18 3HG2 VAL 18 7.557 -3.618 -1.275 159 H LYS 19 H LYS 19 10.181 -2.822 2.714 160 HA LYS 19 HA LYS 19 12.597 -1.577 2.371 161 HB2 LYS 19 2HB LYS 19 11.283 -2.700 4.831 162 HB3 LYS 19 1HB LYS 19 12.829 -1.866 4.922 163 HG2 LYS 19 2HG LYS 19 11.304 -0.132 3.448 164 HG3 LYS 19 1HG LYS 19 10.141 -0.801 4.591 165 HD2 LYS 19 2HD LYS 19 10.925 0.809 5.958 166 HD3 LYS 19 1HD LYS 19 12.244 -0.331 6.231 167 HE2 LYS 19 2HE LYS 19 13.506 1.460 5.664 168 HE3 LYS 19 1HE LYS 19 13.169 0.884 4.033 169 HZ1 LYS 19 1HZ LYS 19 11.157 2.657 5.096 170 HZ2 LYS 19 2HZ LYS 19 11.921 2.667 3.586 171 HZ3 LYS 19 3HZ LYS 19 12.679 3.378 4.921 172 H ALA 20 H ALA 20 12.004 -4.949 3.056 173 HA ALA 20 HA ALA 20 14.813 -5.479 3.597 174 HB1 ALA 20 1HB ALA 20 13.820 -7.918 3.606 175 HB2 ALA 20 2HB ALA 20 12.294 -7.050 3.780 176 HB3 ALA 20 3HB ALA 20 13.577 -6.826 4.969 177 H LEU 21 H LEU 21 12.787 -5.296 0.898 178 HA LEU 21 HA LEU 21 13.822 -7.353 -0.722 179 HB2 LEU 21 2HB LEU 21 11.820 -5.500 -0.931 180 HB3 LEU 21 1HB LEU 21 12.987 -4.893 -2.088 181 HG LEU 21 HG LEU 21 11.862 -7.693 -2.101 182 HD11 LEU 21 1HD1 LEU 21 11.209 -5.763 -4.236 183 HD12 LEU 21 2HD1 LEU 21 10.423 -5.513 -2.676 184 HD13 LEU 21 3HD1 LEU 21 10.233 -7.048 -3.524 185 HD21 LEU 21 1HD2 LEU 21 13.354 -6.285 -4.295 186 HD22 LEU 21 2HD2 LEU 21 12.971 -8.000 -4.153 187 HD23 LEU 21 3HD2 LEU 21 14.169 -7.273 -3.083 188 H GLY 22 H GLY 22 14.392 -3.854 -1.134 189 HA2 GLY 22 2HA GLY 22 17.083 -3.670 -0.961 190 HA3 GLY 22 1HA GLY 22 16.855 -4.388 -2.549 191 H GLY 23 H GLY 23 16.081 -3.148 -4.229 192 HA2 GLY 23 2HA GLY 23 14.711 -0.883 -4.407 193 HA3 GLY 23 1HA GLY 23 16.233 -0.268 -3.783 194 H GLY 24 H GLY 24 14.657 -0.183 -6.461 195 HA2 GLY 24 2HA GLY 24 16.039 0.615 -8.376 196 HA3 GLY 24 1HA GLY 24 16.978 -0.855 -8.164 197 H GLY 25 H GLY 25 14.637 0.555 -9.992 198 HA2 GLY 25 2HA GLY 25 13.562 -0.416 -11.826 199 HA3 GLY 25 1HA GLY 25 13.901 -2.005 -11.157 200 H ARG 26 H ARG 26 12.104 -3.070 -10.704 201 HA ARG 26 HA ARG 26 9.561 -1.936 -10.538 202 HB2 ARG 26 2HB ARG 26 8.760 -4.082 -9.982 203 HB3 ARG 26 1HB ARG 26 10.168 -4.366 -10.994 204 HG2 ARG 26 2HG ARG 26 10.199 -4.469 -7.985 205 HG3 ARG 26 1HG ARG 26 10.003 -5.874 -9.031 206 HD2 ARG 26 2HD ARG 26 12.191 -5.092 -10.134 207 HD3 ARG 26 1HD ARG 26 12.388 -4.092 -8.695 208 HE ARG 26 HE ARG 26 11.835 -6.781 -7.988 209 HH11 ARG 26 1HH1 ARG 26 14.381 -4.719 -9.191 210 HH12 ARG 26 2HH1 ARG 26 15.652 -5.702 -8.547 211 HH21 ARG 26 1HH2 ARG 26 13.506 -8.075 -7.140 212 HH22 ARG 26 2HH2 ARG 26 15.157 -7.608 -7.384 213 H ILE 27 H ILE 27 11.999 -2.387 -8.113 214 HA ILE 27 HA ILE 27 10.312 -2.155 -5.844 215 HB ILE 27 HB ILE 27 13.264 -1.551 -6.039 216 HG12 ILE 27 2HG1 ILE 27 12.030 -4.116 -5.060 217 HG13 ILE 27 1HG1 ILE 27 12.420 -3.880 -6.761 218 HG21 ILE 27 1HG2 ILE 27 12.271 -0.634 -4.029 219 HG22 ILE 27 2HG2 ILE 27 13.269 -2.031 -3.625 220 HG23 ILE 27 3HG2 ILE 27 11.513 -2.185 -3.668 221 HD11 ILE 27 1HD1 ILE 27 14.771 -3.247 -5.839 222 HD12 ILE 27 2HD1 ILE 27 14.299 -4.940 -5.992 223 HD13 ILE 27 3HD1 ILE 27 14.236 -4.145 -4.419 224 H GLU 28 H GLU 28 11.881 0.150 -7.941 225 HA GLU 28 HA GLU 28 11.810 2.395 -6.248 226 HB2 GLU 28 2HB GLU 28 13.145 2.291 -8.308 227 HB3 GLU 28 1HB GLU 28 11.669 2.295 -9.265 228 HG2 GLU 28 2HG GLU 28 11.342 4.523 -7.734 229 HG3 GLU 28 1HG GLU 28 13.088 4.502 -7.981 230 H GLU 29 H GLU 29 9.557 1.512 -8.886 231 HA GLU 29 HA GLU 29 7.732 3.582 -8.437 232 HB2 GLU 29 2HB GLU 29 7.695 2.302 -10.490 233 HB3 GLU 29 1HB GLU 29 7.299 0.833 -9.612 234 HG2 GLU 29 2HG GLU 29 5.147 1.257 -9.881 235 HG3 GLU 29 1HG GLU 29 5.328 2.753 -8.967 236 H LEU 30 H LEU 30 7.928 0.356 -7.048 237 HA LEU 30 HA LEU 30 5.440 0.416 -5.713 238 HB2 LEU 30 2HB LEU 30 7.929 -1.181 -5.124 239 HB3 LEU 30 1HB LEU 30 6.359 -1.471 -4.397 240 HG LEU 30 HG LEU 30 6.881 -1.634 -7.362 241 HD11 LEU 30 1HD1 LEU 30 8.015 -3.326 -5.652 242 HD12 LEU 30 2HD1 LEU 30 7.363 -3.846 -7.206 243 HD13 LEU 30 3HD1 LEU 30 6.415 -4.063 -5.735 244 HD21 LEU 30 1HD2 LEU 30 4.734 -2.472 -7.576 245 HD22 LEU 30 2HD2 LEU 30 4.533 -1.199 -6.375 246 HD23 LEU 30 3HD2 LEU 30 4.614 -2.885 -5.867 247 H LYS 31 H LYS 31 8.478 1.862 -4.983 248 HA LYS 31 HA LYS 31 8.085 2.037 -2.149 249 HB2 LYS 31 2HB LYS 31 10.327 2.054 -3.123 250 HB3 LYS 31 1HB LYS 31 9.962 3.547 -3.977 251 HG2 LYS 31 2HG LYS 31 10.296 4.823 -2.162 252 HG3 LYS 31 1HG LYS 31 9.565 3.645 -1.069 253 HD2 LYS 31 2HD LYS 31 11.937 2.472 -2.026 254 HD3 LYS 31 1HD LYS 31 12.341 4.141 -1.619 255 HE2 LYS 31 2HE LYS 31 11.107 3.706 0.581 256 HE3 LYS 31 1HE LYS 31 11.210 1.998 0.154 257 HZ1 LYS 31 1HZ LYS 31 13.070 3.238 1.556 258 HZ2 LYS 31 2HZ LYS 31 13.679 3.537 0.007 259 HZ3 LYS 31 3HZ LYS 31 13.424 1.947 0.521 260 H LYS 32 H LYS 32 8.104 4.555 -4.690 261 HA LYS 32 HA LYS 32 7.247 6.670 -3.144 262 HB2 LYS 32 2HB LYS 32 7.674 6.181 -5.879 263 HB3 LYS 32 1HB LYS 32 6.041 6.822 -5.762 264 HG2 LYS 32 2HG LYS 32 6.781 8.828 -4.795 265 HG3 LYS 32 1HG LYS 32 8.374 8.161 -4.431 266 HD2 LYS 32 2HD LYS 32 8.938 9.312 -6.302 267 HD3 LYS 32 1HD LYS 32 8.370 7.837 -7.088 268 HE2 LYS 32 2HE LYS 32 6.722 10.317 -6.597 269 HE3 LYS 32 1HE LYS 32 7.445 9.853 -8.137 270 HZ1 LYS 32 1HZ LYS 32 5.419 8.950 -8.447 271 HZ2 LYS 32 2HZ LYS 32 5.097 8.787 -6.795 272 HZ3 LYS 32 3HZ LYS 32 6.078 7.655 -7.579 273 H LYS 33 H LYS 33 5.263 4.287 -4.852 274 HA LYS 33 HA LYS 33 2.784 5.505 -4.127 275 HB2 LYS 33 2HB LYS 33 3.466 3.769 -6.050 276 HB3 LYS 33 1HB LYS 33 2.857 2.632 -4.857 277 HG2 LYS 33 2HG LYS 33 0.784 4.123 -4.759 278 HG3 LYS 33 1HG LYS 33 1.397 4.846 -6.249 279 HD2 LYS 33 2HD LYS 33 -0.200 3.071 -6.739 280 HD3 LYS 33 1HD LYS 33 1.414 2.636 -7.308 281 HE2 LYS 33 2HE LYS 33 1.669 0.987 -5.747 282 HE3 LYS 33 1HE LYS 33 0.631 1.791 -4.570 283 HZ1 LYS 33 1HZ LYS 33 -1.098 1.207 -6.545 284 HZ2 LYS 33 2HZ LYS 33 -0.844 0.244 -5.178 285 HZ3 LYS 33 3HZ LYS 33 -0.047 -0.117 -6.625 286 H CYS 34 H CYS 34 4.892 3.218 -2.604 287 HA CYS 34 HA CYS 34 3.057 1.877 -0.956 288 HB2 CYS 34 2HB CYS 34 5.835 1.903 -1.349 289 HB3 CYS 34 1HB CYS 34 5.607 2.257 0.352 290 H GLU 35 H GLU 35 5.225 4.579 -0.065 291 HA GLU 35 HA GLU 35 4.021 4.942 2.467 292 HB2 GLU 35 2HB GLU 35 5.316 7.119 2.460 293 HB3 GLU 35 1HB GLU 35 6.260 5.647 2.276 294 HG2 GLU 35 2HG GLU 35 7.060 6.309 0.323 295 HG3 GLU 35 1HG GLU 35 5.445 6.675 -0.278 296 H GLU 36 H GLU 36 3.809 6.873 -0.523 297 HA GLU 36 HA GLU 36 2.118 8.855 0.353 298 HB2 GLU 36 2HB GLU 36 3.230 8.576 -1.936 299 HB3 GLU 36 1HB GLU 36 1.843 7.587 -2.366 300 HG2 GLU 36 2HG GLU 36 0.660 9.827 -1.343 301 HG3 GLU 36 1HG GLU 36 2.090 10.483 -2.138 302 H LEU 37 H LEU 37 1.420 5.540 -0.340 303 HA LEU 37 HA LEU 37 -1.396 5.759 -0.587 304 HB2 LEU 37 2HB LEU 37 -0.391 3.844 -1.516 305 HB3 LEU 37 1HB LEU 37 0.498 3.494 -0.050 306 HG LEU 37 HG LEU 37 -1.469 2.699 1.054 307 HD11 LEU 37 1HD1 LEU 37 -2.899 4.473 -0.323 308 HD12 LEU 37 2HD1 LEU 37 -3.620 3.043 0.413 309 HD13 LEU 37 3HD1 LEU 37 -3.226 3.046 -1.306 310 HD21 LEU 37 1HD2 LEU 37 -0.285 1.424 -1.003 311 HD22 LEU 37 2HD2 LEU 37 -1.960 1.436 -1.557 312 HD23 LEU 37 3HD2 LEU 37 -1.551 0.714 -0.001 313 H LYS 38 H LYS 38 0.758 5.038 2.133 314 HA LYS 38 HA LYS 38 -1.212 4.363 4.007 315 HB2 LYS 38 2HB LYS 38 1.610 4.824 3.998 316 HB3 LYS 38 1HB LYS 38 0.907 5.675 5.367 317 HG2 LYS 38 2HG LYS 38 -0.341 3.262 5.525 318 HG3 LYS 38 1HG LYS 38 1.245 2.808 4.899 319 HD2 LYS 38 2HD LYS 38 1.126 4.722 7.174 320 HD3 LYS 38 1HD LYS 38 0.782 3.022 7.497 321 HE2 LYS 38 2HE LYS 38 2.973 2.625 6.127 322 HE3 LYS 38 1HE LYS 38 3.307 4.304 6.549 323 HZ1 LYS 38 1HZ LYS 38 4.208 2.590 8.116 324 HZ2 LYS 38 2HZ LYS 38 2.615 2.246 8.566 325 HZ3 LYS 38 3HZ LYS 38 3.256 3.788 8.837 326 H LYS 39 H LYS 39 0.486 7.488 3.665 327 HA LYS 39 HA LYS 39 -0.943 8.923 5.536 328 HB2 LYS 39 2HB LYS 39 -0.152 10.911 4.459 329 HB3 LYS 39 1HB LYS 39 1.108 9.692 4.333 330 HG2 LYS 39 2HG LYS 39 -0.064 9.230 2.014 331 HG3 LYS 39 1HG LYS 39 -0.585 10.903 2.219 332 HD2 LYS 39 2HD LYS 39 2.266 9.911 2.304 333 HD3 LYS 39 1HD LYS 39 1.509 10.770 0.960 334 HE2 LYS 39 2HE LYS 39 1.000 12.442 3.057 335 HE3 LYS 39 1HE LYS 39 2.579 11.790 3.490 336 HZ1 LYS 39 1HZ LYS 39 1.959 12.985 0.846 337 HZ2 LYS 39 2HZ LYS 39 3.480 12.540 1.434 338 HZ3 LYS 39 3HZ LYS 39 2.656 13.845 2.127 339 H LYS 40 H LYS 40 -1.892 7.955 2.337 340 HA LYS 40 HA LYS 40 -4.028 9.803 2.021 341 HB2 LYS 40 2HB LYS 40 -2.881 8.482 0.186 342 HB3 LYS 40 1HB LYS 40 -3.810 7.089 0.723 343 HG2 LYS 40 2HG LYS 40 -4.952 8.040 -1.124 344 HG3 LYS 40 1HG LYS 40 -5.886 8.421 0.323 345 HD2 LYS 40 2HD LYS 40 -5.791 10.389 -1.036 346 HD3 LYS 40 1HD LYS 40 -4.760 10.649 0.372 347 HE2 LYS 40 2HE LYS 40 -3.692 11.443 -1.680 348 HE3 LYS 40 1HE LYS 40 -2.790 10.114 -0.954 349 HZ1 LYS 40 1HZ LYS 40 -3.454 10.218 -3.529 350 HZ2 LYS 40 2HZ LYS 40 -4.778 9.356 -2.927 351 HZ3 LYS 40 3HZ LYS 40 -3.210 8.769 -2.688 352 H ILE 41 H ILE 41 -3.699 6.783 3.699 353 HA ILE 41 HA ILE 41 -6.512 6.227 3.850 354 HB ILE 41 HB ILE 41 -4.424 5.130 5.723 355 HG12 ILE 41 2HG1 ILE 41 -5.081 4.233 2.909 356 HG13 ILE 41 1HG1 ILE 41 -3.530 4.822 3.495 357 HG21 ILE 41 1HG2 ILE 41 -6.671 4.596 6.344 358 HG22 ILE 41 2HG2 ILE 41 -5.937 3.149 5.654 359 HG23 ILE 41 3HG2 ILE 41 -7.065 4.107 4.696 360 HD11 ILE 41 1HD1 ILE 41 -4.853 2.308 4.479 361 HD12 ILE 41 2HD1 ILE 41 -3.216 2.866 4.824 362 HD13 ILE 41 3HD1 ILE 41 -3.651 2.363 3.190 363 H GLU 42 H GLU 42 -4.132 7.825 5.904 364 HA GLU 42 HA GLU 42 -5.806 8.074 8.179 365 HB2 GLU 42 2HB GLU 42 -4.174 9.679 8.995 366 HB3 GLU 42 1HB GLU 42 -3.355 8.289 8.294 367 HG2 GLU 42 2HG GLU 42 -2.514 9.484 6.550 368 HG3 GLU 42 1HG GLU 42 -3.846 10.639 6.551 369 H GLU 43 H GLU 43 -5.429 9.923 5.249 370 HA GLU 43 HA GLU 43 -6.857 12.224 6.215 371 HB2 GLU 43 2HB GLU 43 -6.601 13.117 4.046 372 HB3 GLU 43 1HB GLU 43 -5.126 12.212 4.346 373 HG2 GLU 43 2HG GLU 43 -5.444 11.082 2.481 374 HG3 GLU 43 1HG GLU 43 -6.964 10.457 3.110 375 H LEU 44 H LEU 44 -7.618 9.250 4.614 376 HA LEU 44 HA LEU 44 -10.086 9.766 3.488 377 HB2 LEU 44 2HB LEU 44 -8.610 7.425 4.405 378 HB3 LEU 44 1HB LEU 44 -10.344 7.215 4.541 379 HG LEU 44 HG LEU 44 -8.909 7.999 2.005 380 HD11 LEU 44 1HD1 LEU 44 -8.294 5.756 2.568 381 HD12 LEU 44 2HD1 LEU 44 -9.498 5.693 1.282 382 HD13 LEU 44 3HD1 LEU 44 -9.965 5.340 2.946 383 HD21 LEU 44 1HD2 LEU 44 -11.779 7.395 2.660 384 HD22 LEU 44 2HD2 LEU 44 -11.141 7.292 1.019 385 HD23 LEU 44 3HD2 LEU 44 -11.108 8.829 1.883 386 H GLY 45 H GLY 45 -12.244 9.093 4.269 387 HA2 GLY 45 2HA GLY 45 -12.582 9.293 7.178 388 HA3 GLY 45 1HA GLY 45 -13.404 10.467 6.160 389 H GLY 46 H GLY 46 -15.316 9.937 5.245 390 HA2 GLY 46 2HA GLY 46 -16.153 7.112 5.388 391 HA3 GLY 46 1HA GLY 46 -17.196 8.386 6.003 392 H GLY 47 H GLY 47 -18.525 7.057 4.314 393 HA2 GLY 47 2HA GLY 47 -19.864 7.747 2.474 394 HA3 GLY 47 1HA GLY 47 -18.500 8.670 1.863 395 H GLY 48 H GLY 48 -17.551 7.854 0.124 396 HA2 GLY 48 2HA GLY 48 -17.360 4.937 -0.151 397 HA3 GLY 48 1HA GLY 48 -18.107 5.855 -1.449 398 H GLU 49 H GLU 49 -15.449 7.170 0.375 399 HA GLU 49 HA GLU 49 -13.843 7.225 -2.051 400 HB2 GLU 49 2HB GLU 49 -14.134 9.269 -0.664 401 HB3 GLU 49 1HB GLU 49 -13.286 8.466 0.649 402 HG2 GLU 49 2HG GLU 49 -11.277 8.824 -0.261 403 HG3 GLU 49 1HG GLU 49 -11.840 8.470 -1.893 404 H VAL 50 H VAL 50 -13.940 5.652 1.048 405 HA VAL 50 HA VAL 50 -11.287 4.814 1.282 406 HB VAL 50 HB VAL 50 -13.701 3.224 2.147 407 HG11 VAL 50 1HG1 VAL 50 -10.805 3.072 2.656 408 HG12 VAL 50 2HG1 VAL 50 -12.036 1.810 2.699 409 HG13 VAL 50 3HG1 VAL 50 -11.840 2.899 4.073 410 HG21 VAL 50 1HG2 VAL 50 -14.066 5.384 3.022 411 HG22 VAL 50 2HG2 VAL 50 -12.359 5.599 3.414 412 HG23 VAL 50 3HG2 VAL 50 -13.338 4.459 4.337 413 H LYS 51 H LYS 51 -13.734 3.810 -0.916 414 HA LYS 51 HA LYS 51 -12.721 1.195 -1.443 415 HB2 LYS 51 2HB LYS 51 -14.740 3.001 -2.677 416 HB3 LYS 51 1HB LYS 51 -14.102 1.696 -3.667 417 HG2 LYS 51 2HG LYS 51 -15.024 1.002 -0.940 418 HG3 LYS 51 1HG LYS 51 -16.252 1.412 -2.139 419 HD2 LYS 51 2HD LYS 51 -14.088 -0.532 -2.830 420 HD3 LYS 51 1HD LYS 51 -15.468 -1.061 -1.866 421 HE2 LYS 51 2HE LYS 51 -16.201 0.508 -4.222 422 HE3 LYS 51 1HE LYS 51 -15.367 -0.998 -4.602 423 HZ1 LYS 51 1HZ LYS 51 -17.548 -1.662 -4.505 424 HZ2 LYS 51 2HZ LYS 51 -17.948 -0.600 -3.251 425 HZ3 LYS 51 3HZ LYS 51 -17.046 -1.993 -2.924 426 H LYS 52 H LYS 52 -12.087 4.395 -2.714 427 HA LYS 52 HA LYS 52 -10.702 3.583 -5.051 428 HB2 LYS 52 2HB LYS 52 -11.535 5.820 -4.941 429 HB3 LYS 52 1HB LYS 52 -10.671 6.138 -3.444 430 HG2 LYS 52 2HG LYS 52 -8.649 6.404 -4.505 431 HG3 LYS 52 1HG LYS 52 -9.133 5.438 -5.901 432 HD2 LYS 52 2HD LYS 52 -9.051 7.709 -6.614 433 HD3 LYS 52 1HD LYS 52 -10.755 7.269 -6.479 434 HE2 LYS 52 2HE LYS 52 -11.042 9.032 -5.159 435 HE3 LYS 52 1HE LYS 52 -10.021 8.243 -3.958 436 HZ1 LYS 52 1HZ LYS 52 -8.772 9.757 -6.148 437 HZ2 LYS 52 2HZ LYS 52 -8.191 9.449 -4.590 438 HZ3 LYS 52 3HZ LYS 52 -9.415 10.591 -4.823 439 H VAL 53 H VAL 53 -9.458 4.830 -1.945 440 HA VAL 53 HA VAL 53 -6.751 4.369 -2.476 441 HB VAL 53 HB VAL 53 -8.107 4.320 0.226 442 HG11 VAL 53 1HG1 VAL 53 -5.236 4.847 -0.536 443 HG12 VAL 53 2HG1 VAL 53 -5.848 3.418 0.297 444 HG13 VAL 53 3HG1 VAL 53 -5.911 4.993 1.087 445 HG21 VAL 53 1HG2 VAL 53 -8.349 6.367 -1.408 446 HG22 VAL 53 2HG2 VAL 53 -6.707 6.712 -0.865 447 HG23 VAL 53 3HG2 VAL 53 -8.020 6.611 0.308 448 H GLU 54 H GLU 54 -9.278 2.191 -1.521 449 HA GLU 54 HA GLU 54 -7.679 0.125 -0.444 450 HB2 GLU 54 2HB GLU 54 -10.327 0.524 -0.562 451 HB3 GLU 54 1HB GLU 54 -10.161 -0.588 -1.913 452 HG2 GLU 54 2HG GLU 54 -10.290 -2.228 -0.434 453 HG3 GLU 54 1HG GLU 54 -8.674 -1.764 0.096 454 H GLU 55 H GLU 55 -8.719 0.914 -3.710 455 HA GLU 55 HA GLU 55 -7.726 -1.470 -4.915 456 HB2 GLU 55 2HB GLU 55 -9.475 -0.114 -5.973 457 HB3 GLU 55 1HB GLU 55 -8.348 1.227 -6.138 458 HG2 GLU 55 2HG GLU 55 -7.106 0.137 -7.783 459 HG3 GLU 55 1HG GLU 55 -7.787 -1.439 -7.379 460 H GLU 56 H GLU 56 -6.355 1.609 -4.064 461 HA GLU 56 HA GLU 56 -4.050 1.471 -5.717 462 HB2 GLU 56 2HB GLU 56 -4.877 3.087 -3.341 463 HB3 GLU 56 1HB GLU 56 -3.194 3.116 -3.845 464 HG2 GLU 56 2HG GLU 56 -4.450 3.537 -6.209 465 HG3 GLU 56 1HG GLU 56 -5.559 4.321 -5.083 466 H VAL 57 H VAL 57 -4.881 0.162 -2.606 467 HA VAL 57 HA VAL 57 -2.160 -0.515 -1.905 468 HB VAL 57 HB VAL 57 -4.688 -1.518 -0.596 469 HG11 VAL 57 1HG1 VAL 57 -2.371 -2.558 -0.150 470 HG12 VAL 57 2HG1 VAL 57 -3.373 -2.106 1.228 471 HG13 VAL 57 3HG1 VAL 57 -2.040 -1.065 0.728 472 HG21 VAL 57 1HG2 VAL 57 -5.063 0.469 0.337 473 HG22 VAL 57 2HG2 VAL 57 -3.896 1.147 -0.797 474 HG23 VAL 57 3HG2 VAL 57 -3.371 0.637 0.807 475 H LYS 58 H LYS 58 -4.839 -1.986 -3.526 476 HA LYS 58 HA LYS 58 -3.969 -4.691 -3.239 477 HB2 LYS 58 2HB LYS 58 -6.202 -3.285 -4.416 478 HB3 LYS 58 1HB LYS 58 -5.608 -4.534 -5.504 479 HG2 LYS 58 2HG LYS 58 -7.134 -5.722 -4.295 480 HG3 LYS 58 1HG LYS 58 -5.677 -6.014 -3.343 481 HD2 LYS 58 2HD LYS 58 -6.529 -3.768 -2.157 482 HD3 LYS 58 1HD LYS 58 -8.080 -4.410 -2.703 483 HE2 LYS 58 2HE LYS 58 -6.068 -5.710 -0.885 484 HE3 LYS 58 1HE LYS 58 -7.729 -5.250 -0.514 485 HZ1 LYS 58 1HZ LYS 58 -6.919 -7.368 -2.434 486 HZ2 LYS 58 2HZ LYS 58 -8.508 -6.940 -2.044 487 HZ3 LYS 58 3HZ LYS 58 -7.507 -7.634 -0.870 488 H LYS 59 H LYS 59 -3.307 -2.117 -5.497 489 HA LYS 59 HA LYS 59 -2.273 -3.817 -7.557 490 HB2 LYS 59 2HB LYS 59 -3.172 -1.595 -8.067 491 HB3 LYS 59 1HB LYS 59 -1.899 -0.850 -7.112 492 HG2 LYS 59 2HG LYS 59 -0.477 -2.389 -8.871 493 HG3 LYS 59 1HG LYS 59 -1.848 -1.861 -9.848 494 HD2 LYS 59 2HD LYS 59 -0.907 0.365 -8.338 495 HD3 LYS 59 1HD LYS 59 0.477 -0.398 -9.125 496 HE2 LYS 59 2HE LYS 59 -0.486 1.316 -10.555 497 HE3 LYS 59 1HE LYS 59 -0.687 -0.281 -11.276 498 HZ1 LYS 59 1HZ LYS 59 -2.739 1.390 -9.949 499 HZ2 LYS 59 2HZ LYS 59 -2.974 -0.259 -10.247 500 HZ3 LYS 59 3HZ LYS 59 -2.732 0.808 -11.538 501 H LEU 60 H LEU 60 -0.826 -1.970 -4.902 502 HA LEU 60 HA LEU 60 1.853 -2.542 -5.755 503 HB2 LEU 60 2HB LEU 60 0.993 -0.568 -4.311 504 HB3 LEU 60 1HB LEU 60 1.149 -1.693 -2.972 505 HG LEU 60 HG LEU 60 3.523 -1.551 -4.688 506 HD11 LEU 60 1HD1 LEU 60 3.680 0.651 -4.838 507 HD12 LEU 60 2HD1 LEU 60 3.881 0.679 -3.086 508 HD13 LEU 60 3HD1 LEU 60 2.281 0.896 -3.793 509 HD21 LEU 60 1HD2 LEU 60 2.984 -1.420 -1.730 510 HD22 LEU 60 2HD2 LEU 60 4.598 -1.336 -2.439 511 HD23 LEU 60 3HD2 LEU 60 3.613 -2.782 -2.659 512 H GLU 61 H GLU 61 -0.473 -4.125 -3.736 513 HA GLU 61 HA GLU 61 1.352 -5.717 -2.250 514 HB2 GLU 61 2HB GLU 61 -1.331 -5.224 -2.109 515 HB3 GLU 61 1HB GLU 61 -1.314 -6.851 -2.771 516 HG2 GLU 61 2HG GLU 61 0.400 -7.261 -0.817 517 HG3 GLU 61 1HG GLU 61 -0.424 -5.868 -0.120 518 H GLU 62 H GLU 62 -0.746 -6.468 -5.019 519 HA GLU 62 HA GLU 62 0.262 -9.052 -5.480 520 HB2 GLU 62 2HB GLU 62 -1.839 -7.636 -6.426 521 HB3 GLU 62 1HB GLU 62 -0.754 -7.527 -7.805 522 HG2 GLU 62 2HG GLU 62 -0.672 -9.887 -8.033 523 HG3 GLU 62 1HG GLU 62 -1.487 -10.125 -6.488 524 H GLU 63 H GLU 63 1.398 -5.902 -6.391 525 HA GLU 63 HA GLU 63 3.001 -6.577 -8.587 526 HB2 GLU 63 2HB GLU 63 2.421 -4.272 -7.141 527 HB3 GLU 63 1HB GLU 63 4.154 -4.478 -6.930 528 HG2 GLU 63 2HG GLU 63 2.919 -4.653 -9.647 529 HG3 GLU 63 1HG GLU 63 3.273 -3.090 -8.914 530 H ILE 64 H ILE 64 4.019 -6.070 -5.210 531 HA ILE 64 HA ILE 64 6.650 -6.862 -5.441 532 HB ILE 64 HB ILE 64 4.898 -7.404 -3.041 533 HG12 ILE 64 2HG1 ILE 64 6.405 -4.887 -3.790 534 HG13 ILE 64 1HG1 ILE 64 4.657 -5.069 -3.773 535 HG21 ILE 64 1HG2 ILE 64 7.341 -6.666 -2.104 536 HG22 ILE 64 2HG2 ILE 64 7.778 -7.539 -3.574 537 HG23 ILE 64 3HG2 ILE 64 6.812 -8.334 -2.330 538 HD11 ILE 64 1HD1 ILE 64 6.429 -5.328 -1.359 539 HD12 ILE 64 2HD1 ILE 64 4.666 -5.369 -1.385 540 HD13 ILE 64 3HD1 ILE 64 5.520 -3.885 -1.804 541 H LYS 65 H LYS 65 3.771 -8.813 -5.354 542 HA LYS 65 HA LYS 65 4.936 -11.274 -4.619 543 HB2 LYS 65 2HB LYS 65 2.383 -10.357 -5.736 544 HB3 LYS 65 1HB LYS 65 2.835 -11.978 -6.244 545 HG2 LYS 65 2HG LYS 65 1.501 -12.192 -4.301 546 HG3 LYS 65 1HG LYS 65 3.164 -12.550 -3.831 547 HD2 LYS 65 2HD LYS 65 3.389 -10.233 -2.999 548 HD3 LYS 65 1HD LYS 65 1.694 -9.950 -3.399 549 HE2 LYS 65 2HE LYS 65 1.288 -12.054 -1.911 550 HE3 LYS 65 1HE LYS 65 2.880 -11.665 -1.259 551 HZ1 LYS 65 1HZ LYS 65 2.053 -9.436 -0.736 552 HZ2 LYS 65 2HZ LYS 65 1.163 -10.636 0.058 553 HZ3 LYS 65 3HZ LYS 65 0.518 -9.865 -1.302 554 H LYS 66 H LYS 66 4.768 -9.549 -7.645 555 HA LYS 66 HA LYS 66 5.505 -11.772 -9.289 556 HB2 LYS 66 2HB LYS 66 5.189 -8.831 -9.684 557 HB3 LYS 66 1HB LYS 66 6.115 -9.737 -10.873 558 HG2 LYS 66 2HG LYS 66 4.130 -11.277 -11.073 559 HG3 LYS 66 1HG LYS 66 3.233 -10.101 -10.110 560 HD2 LYS 66 2HD LYS 66 2.957 -8.748 -11.864 561 HD3 LYS 66 1HD LYS 66 4.665 -8.841 -12.294 562 HE2 LYS 66 2HE LYS 66 2.512 -10.824 -13.023 563 HE3 LYS 66 1HE LYS 66 3.303 -9.684 -14.111 564 HZ1 LYS 66 1HZ LYS 66 4.444 -11.631 -14.498 565 HZ2 LYS 66 2HZ LYS 66 4.389 -12.129 -12.882 566 HZ3 LYS 66 3HZ LYS 66 5.438 -10.887 -13.348 567 H LEU 67 H LEU 67 7.221 -9.294 -7.524 568 HA LEU 67 HA LEU 67 9.763 -10.131 -8.704 569 HB2 LEU 67 2HB LEU 67 10.560 -8.197 -7.121 570 HB3 LEU 67 1HB LEU 67 9.831 -7.847 -8.674 571 HG LEU 67 HG LEU 67 8.057 -7.963 -6.284 572 HD11 LEU 67 1HD1 LEU 67 10.293 -6.116 -6.598 573 HD12 LEU 67 2HD1 LEU 67 9.293 -6.461 -5.188 574 HD13 LEU 67 3HD1 LEU 67 8.733 -5.315 -6.405 575 HD21 LEU 67 1HD2 LEU 67 8.109 -6.106 -8.655 576 HD22 LEU 67 2HD2 LEU 67 6.800 -6.333 -7.497 577 HD23 LEU 67 3HD2 LEU 67 7.224 -7.631 -8.613 578 H6 HTS 101 H6 HTS 68 7.998 3.102 3.924 579 H3 HTS 101 H3 HTS 68 7.835 -0.823 0.948 580 H4 HTS 101 H4 HTS 68 9.999 0.215 1.494 581 H5 HTS 101 H5 HTS 68 10.079 2.174 2.988 582 HO1 HTS 101 HO1 HTS 68 5.720 2.438 4.385 Start of MODEL 30 1 H1 GLY 1 1H GLY 1 -14.794 2.256 13.309 2 H2 GLY 1 2H GLY 1 -15.189 3.646 12.431 3 H3 GLY 1 3H GLY 1 -13.568 3.218 12.649 4 HA2 GLY 1 1HA GLY 1 -15.513 1.517 11.199 5 HA3 GLY 1 2HA GLY 1 -14.504 2.712 10.397 6 H SER 2 H SER 2 -14.617 -0.395 11.917 7 HA SER 2 HA SER 2 -11.886 -0.942 12.166 8 HB2 SER 2 2HB SER 2 -13.921 -2.315 12.979 9 HB3 SER 2 1HB SER 2 -13.893 -3.041 11.372 10 HG SER 2 HG SER 2 -11.667 -3.586 11.815 11 H ARG 3 H ARG 3 -13.942 -0.836 9.370 12 HA ARG 3 HA ARG 3 -12.513 -2.432 7.590 13 HB2 ARG 3 2HB ARG 3 -14.313 -0.064 7.275 14 HB3 ARG 3 1HB ARG 3 -13.442 -0.669 5.874 15 HG2 ARG 3 2HG ARG 3 -14.712 -2.824 7.309 16 HG3 ARG 3 1HG ARG 3 -15.877 -1.574 6.867 17 HD2 ARG 3 2HD ARG 3 -15.160 -1.700 4.547 18 HD3 ARG 3 1HD ARG 3 -13.942 -2.901 4.972 19 HE ARG 3 HE ARG 3 -15.570 -4.494 4.902 20 HH11 ARG 3 1HH1 ARG 3 -17.100 -1.383 5.298 21 HH12 ARG 3 2HH1 ARG 3 -18.706 -2.014 5.149 22 HH21 ARG 3 1HH2 ARG 3 -17.680 -5.326 4.706 23 HH22 ARG 3 2HH2 ARG 3 -19.035 -4.253 4.814 24 H VAL 4 H VAL 4 -12.277 1.107 7.994 25 HA VAL 4 HA VAL 4 -9.941 1.296 6.359 26 HB VAL 4 HB VAL 4 -10.945 3.351 8.331 27 HG11 VAL 4 1HG1 VAL 4 -9.519 4.821 7.391 28 HG12 VAL 4 2HG1 VAL 4 -9.709 4.137 5.777 29 HG13 VAL 4 3HG1 VAL 4 -8.633 3.365 6.941 30 HG21 VAL 4 1HG2 VAL 4 -12.007 2.486 5.713 31 HG22 VAL 4 2HG2 VAL 4 -11.898 4.225 5.983 32 HG23 VAL 4 3HG2 VAL 4 -12.833 3.218 7.088 33 H LYS 5 H LYS 5 -10.552 1.158 9.829 34 HA LYS 5 HA LYS 5 -8.020 1.841 10.769 35 HB2 LYS 5 2HB LYS 5 -10.168 0.039 11.867 36 HB3 LYS 5 1HB LYS 5 -8.662 0.308 12.733 37 HG2 LYS 5 2HG LYS 5 -9.174 2.781 12.586 38 HG3 LYS 5 1HG LYS 5 -10.787 2.313 12.041 39 HD2 LYS 5 2HD LYS 5 -11.396 1.516 14.085 40 HD3 LYS 5 1HD LYS 5 -9.755 1.016 14.499 41 HE2 LYS 5 2HE LYS 5 -9.474 3.714 14.382 42 HE3 LYS 5 1HE LYS 5 -11.132 3.570 14.963 43 HZ1 LYS 5 1HZ LYS 5 -8.684 2.454 16.209 44 HZ2 LYS 5 2HZ LYS 5 -10.248 2.036 16.701 45 HZ3 LYS 5 3HZ LYS 5 -9.716 3.635 16.844 46 H ALA 6 H ALA 6 -9.225 -1.162 9.440 47 HA ALA 6 HA ALA 6 -6.862 -2.661 10.167 48 HB1 ALA 6 1HB ALA 6 -8.020 -4.506 9.572 49 HB2 ALA 6 2HB ALA 6 -8.690 -3.752 8.125 50 HB3 ALA 6 3HB ALA 6 -9.401 -3.418 9.705 51 H LEU 7 H LEU 7 -7.994 -0.803 7.472 52 HA LEU 7 HA LEU 7 -6.366 -1.908 5.449 53 HB2 LEU 7 2HB LEU 7 -8.369 -0.113 5.477 54 HB3 LEU 7 1HB LEU 7 -7.005 0.981 5.345 55 HG LEU 7 HG LEU 7 -7.663 -1.259 3.433 56 HD11 LEU 7 1HD1 LEU 7 -8.271 1.629 3.510 57 HD12 LEU 7 2HD1 LEU 7 -9.154 0.300 2.760 58 HD13 LEU 7 3HD1 LEU 7 -7.734 0.976 1.962 59 HD21 LEU 7 1HD2 LEU 7 -5.859 0.154 2.114 60 HD22 LEU 7 2HD2 LEU 7 -5.397 -1.155 3.200 61 HD23 LEU 7 3HD2 LEU 7 -5.305 0.519 3.747 62 H GLU 8 H GLU 8 -5.732 0.375 7.996 63 HA GLU 8 HA GLU 8 -3.310 1.398 6.839 64 HB2 GLU 8 2HB GLU 8 -4.378 1.592 9.659 65 HB3 GLU 8 1HB GLU 8 -2.997 2.486 9.034 66 HG2 GLU 8 2HG GLU 8 -4.301 3.864 7.736 67 HG3 GLU 8 1HG GLU 8 -5.631 2.707 7.657 68 H GLU 9 H GLU 9 -4.135 -1.052 9.240 69 HA GLU 9 HA GLU 9 -1.452 -1.546 10.048 70 HB2 GLU 9 2HB GLU 9 -2.318 -3.374 11.300 71 HB3 GLU 9 1HB GLU 9 -3.512 -2.087 11.387 72 HG2 GLU 9 2HG GLU 9 -5.073 -3.424 10.581 73 HG3 GLU 9 1HG GLU 9 -4.101 -3.758 9.148 74 H LYS 10 H LYS 10 -3.302 -2.513 7.328 75 HA LYS 10 HA LYS 10 -1.938 -4.953 6.771 76 HB2 LYS 10 2HB LYS 10 -4.129 -3.504 5.695 77 HB3 LYS 10 1HB LYS 10 -2.992 -3.778 4.384 78 HG2 LYS 10 2HG LYS 10 -3.018 -6.173 4.855 79 HG3 LYS 10 1HG LYS 10 -4.156 -5.900 6.175 80 HD2 LYS 10 2HD LYS 10 -5.606 -4.757 4.354 81 HD3 LYS 10 1HD LYS 10 -4.584 -5.644 3.222 82 HE2 LYS 10 2HE LYS 10 -5.197 -7.743 4.285 83 HE3 LYS 10 1HE LYS 10 -6.174 -6.876 5.470 84 HZ1 LYS 10 1HZ LYS 10 -7.827 -6.535 3.992 85 HZ2 LYS 10 2HZ LYS 10 -7.183 -7.918 3.262 86 HZ3 LYS 10 3HZ LYS 10 -6.786 -6.386 2.665 87 H VAL 11 H VAL 11 -1.751 -1.707 5.314 88 HA VAL 11 HA VAL 11 0.402 -2.290 3.602 89 HB VAL 11 HB VAL 11 -0.273 0.426 4.728 90 HG11 VAL 11 1HG1 VAL 11 1.504 -0.565 2.611 91 HG12 VAL 11 2HG1 VAL 11 1.567 0.933 3.539 92 HG13 VAL 11 3HG1 VAL 11 0.486 0.802 2.151 93 HG21 VAL 11 1HG2 VAL 11 -2.033 -1.202 3.389 94 HG22 VAL 11 2HG2 VAL 11 -1.343 -0.225 2.094 95 HG23 VAL 11 3HG2 VAL 11 -2.117 0.558 3.470 96 H LYS 12 H LYS 12 0.288 -1.362 6.939 97 HA LYS 12 HA LYS 12 2.888 -0.398 7.294 98 HB2 LYS 12 2HB LYS 12 1.049 -0.292 8.987 99 HB3 LYS 12 1HB LYS 12 1.282 -2.008 9.288 100 HG2 LYS 12 2HG LYS 12 3.797 -1.134 9.644 101 HG3 LYS 12 1HG LYS 12 2.898 0.303 10.135 102 HD2 LYS 12 2HD LYS 12 1.955 -0.737 11.941 103 HD3 LYS 12 1HD LYS 12 2.008 -2.332 11.188 104 HE2 LYS 12 2HE LYS 12 4.426 -0.827 12.178 105 HE3 LYS 12 1HE LYS 12 3.575 -2.063 13.102 106 HZ1 LYS 12 1HZ LYS 12 5.232 -3.278 12.127 107 HZ2 LYS 12 2HZ LYS 12 5.247 -2.360 10.707 108 HZ3 LYS 12 3HZ LYS 12 4.005 -3.475 10.978 109 H ALA 13 H ALA 13 1.633 -3.681 7.194 110 HA ALA 13 HA ALA 13 4.178 -4.868 7.895 111 HB1 ALA 13 1HB ALA 13 1.707 -6.182 6.759 112 HB2 ALA 13 2HB ALA 13 2.034 -5.960 8.478 113 HB3 ALA 13 3HB ALA 13 3.082 -6.995 7.508 114 H LEU 14 H LEU 14 2.502 -3.809 5.119 115 HA LEU 14 HA LEU 14 3.748 -5.322 3.101 116 HB2 LEU 14 2HB LEU 14 1.664 -3.742 3.129 117 HB3 LEU 14 1HB LEU 14 2.825 -2.500 2.714 118 HG LEU 14 HG LEU 14 3.104 -4.828 1.000 119 HD11 LEU 14 1HD1 LEU 14 0.837 -3.999 -0.166 120 HD12 LEU 14 2HD1 LEU 14 0.396 -3.782 1.529 121 HD13 LEU 14 3HD1 LEU 14 0.911 -5.365 0.948 122 HD21 LEU 14 1HD2 LEU 14 2.333 -2.726 -0.561 123 HD22 LEU 14 2HD2 LEU 14 3.991 -3.071 -0.072 124 HD23 LEU 14 3HD2 LEU 14 3.027 -1.908 0.838 125 H GLU 15 H GLU 15 4.764 -2.596 4.973 126 HA GLU 15 HA GLU 15 6.788 -1.663 3.197 127 HB2 GLU 15 2HB GLU 15 5.930 -0.075 4.713 128 HB3 GLU 15 1HB GLU 15 6.117 -1.152 6.088 129 HG2 GLU 15 2HG GLU 15 8.531 -0.917 5.966 130 HG3 GLU 15 1HG GLU 15 8.374 0.109 4.542 131 H GLU 16 H GLU 16 6.755 -3.765 6.042 132 HA GLU 16 HA GLU 16 9.501 -4.090 6.366 133 HB2 GLU 16 2HB GLU 16 7.359 -6.171 6.830 134 HB3 GLU 16 1HB GLU 16 8.968 -6.162 7.538 135 HG2 GLU 16 2HG GLU 16 8.166 -3.787 8.395 136 HG3 GLU 16 1HG GLU 16 6.583 -4.542 8.214 137 H LYS 17 H LYS 17 7.366 -5.391 3.962 138 HA LYS 17 HA LYS 17 9.092 -7.519 3.129 139 HB2 LYS 17 2HB LYS 17 6.509 -7.200 2.793 140 HB3 LYS 17 1HB LYS 17 7.003 -6.331 1.346 141 HG2 LYS 17 2HG LYS 17 6.934 -8.330 0.358 142 HG3 LYS 17 1HG LYS 17 8.484 -8.611 1.154 143 HD2 LYS 17 2HD LYS 17 5.822 -9.286 2.396 144 HD3 LYS 17 1HD LYS 17 6.782 -10.433 1.458 145 HE2 LYS 17 2HE LYS 17 8.637 -9.501 3.204 146 HE3 LYS 17 1HE LYS 17 7.177 -9.415 4.188 147 HZ1 LYS 17 1HZ LYS 17 6.908 -11.834 3.127 148 HZ2 LYS 17 2HZ LYS 17 7.697 -11.552 4.596 149 HZ3 LYS 17 3HZ LYS 17 8.597 -11.737 3.176 150 H VAL 18 H VAL 18 8.238 -4.357 1.719 151 HA VAL 18 HA VAL 18 10.071 -4.551 -0.431 152 HB VAL 18 HB VAL 18 9.068 -1.971 0.722 153 HG11 VAL 18 1HG1 VAL 18 9.495 -1.034 -1.344 154 HG12 VAL 18 2HG1 VAL 18 9.441 -2.590 -2.174 155 HG13 VAL 18 3HG1 VAL 18 10.831 -2.172 -1.172 156 HG21 VAL 18 1HG2 VAL 18 7.170 -2.266 -0.942 157 HG22 VAL 18 2HG2 VAL 18 7.092 -3.249 0.520 158 HG23 VAL 18 3HG2 VAL 18 7.625 -3.969 -0.999 159 H LYS 19 H LYS 19 10.215 -2.836 2.677 160 HA LYS 19 HA LYS 19 12.623 -1.545 2.397 161 HB2 LYS 19 2HB LYS 19 11.385 -2.811 4.836 162 HB3 LYS 19 1HB LYS 19 12.830 -1.813 4.909 163 HG2 LYS 19 2HG LYS 19 11.122 -0.222 3.499 164 HG3 LYS 19 1HG LYS 19 10.029 -1.049 4.608 165 HD2 LYS 19 2HD LYS 19 10.622 0.540 6.076 166 HD3 LYS 19 1HD LYS 19 12.114 -0.386 6.250 167 HE2 LYS 19 2HE LYS 19 13.028 0.989 4.330 168 HE3 LYS 19 1HE LYS 19 11.614 2.026 4.521 169 HZ1 LYS 19 1HZ LYS 19 12.405 2.905 6.423 170 HZ2 LYS 19 2HZ LYS 19 13.902 2.446 5.786 171 HZ3 LYS 19 3HZ LYS 19 13.138 1.469 6.936 172 H ALA 20 H ALA 20 12.039 -4.940 2.850 173 HA ALA 20 HA ALA 20 14.843 -5.490 3.442 174 HB1 ALA 20 1HB ALA 20 14.181 -7.496 4.244 175 HB2 ALA 20 2HB ALA 20 12.976 -7.729 2.977 176 HB3 ALA 20 3HB ALA 20 12.619 -6.683 4.352 177 H LEU 21 H LEU 21 12.893 -5.132 0.721 178 HA LEU 21 HA LEU 21 14.030 -7.115 -0.966 179 HB2 LEU 21 2HB LEU 21 11.922 -5.272 -1.032 180 HB3 LEU 21 1HB LEU 21 12.980 -4.805 -2.340 181 HG LEU 21 HG LEU 21 11.667 -7.492 -1.952 182 HD11 LEU 21 1HD1 LEU 21 9.987 -6.441 -2.975 183 HD12 LEU 21 2HD1 LEU 21 10.988 -6.534 -4.425 184 HD13 LEU 21 3HD1 LEU 21 11.000 -5.073 -3.437 185 HD21 LEU 21 1HD2 LEU 21 14.075 -7.367 -2.973 186 HD22 LEU 21 2HD2 LEU 21 13.219 -6.771 -4.394 187 HD23 LEU 21 3HD2 LEU 21 12.831 -8.360 -3.733 188 H GLY 22 H GLY 22 14.571 -5.456 -3.271 189 HA2 GLY 22 2HA GLY 22 16.196 -3.460 -3.444 190 HA3 GLY 22 1HA GLY 22 17.236 -4.501 -2.486 191 H GLY 23 H GLY 23 17.194 -3.374 -5.373 192 HA2 GLY 23 2HA GLY 23 18.564 -4.240 -7.110 193 HA3 GLY 23 1HA GLY 23 18.178 -5.866 -6.567 194 H GLY 24 H GLY 24 17.236 -3.211 -8.571 195 HA2 GLY 24 2HA GLY 24 16.074 -4.251 -10.631 196 HA3 GLY 24 1HA GLY 24 14.838 -4.668 -9.455 197 H GLY 25 H GLY 25 13.828 -3.286 -11.377 198 HA2 GLY 25 2HA GLY 25 13.933 -0.439 -10.622 199 HA3 GLY 25 1HA GLY 25 13.371 -1.057 -12.168 200 H ARG 26 H ARG 26 11.776 -3.183 -10.930 201 HA ARG 26 HA ARG 26 9.329 -1.846 -10.737 202 HB2 ARG 26 2HB ARG 26 8.353 -3.936 -10.283 203 HB3 ARG 26 1HB ARG 26 9.762 -4.312 -11.263 204 HG2 ARG 26 2HG ARG 26 9.716 -4.483 -8.258 205 HG3 ARG 26 1HG ARG 26 9.393 -5.844 -9.334 206 HD2 ARG 26 2HD ARG 26 11.649 -5.372 -10.381 207 HD3 ARG 26 1HD ARG 26 11.943 -4.279 -9.029 208 HE ARG 26 HE ARG 26 11.280 -6.532 -7.759 209 HH11 ARG 26 1HH1 ARG 26 13.503 -5.951 -10.387 210 HH12 ARG 26 2HH1 ARG 26 14.556 -7.251 -9.947 211 HH21 ARG 26 1HH2 ARG 26 12.668 -8.242 -7.180 212 HH22 ARG 26 2HH2 ARG 26 14.084 -8.551 -8.128 213 H ILE 27 H ILE 27 11.719 -2.582 -8.332 214 HA ILE 27 HA ILE 27 10.077 -2.323 -6.045 215 HB ILE 27 HB ILE 27 13.046 -1.817 -6.231 216 HG12 ILE 27 2HG1 ILE 27 11.777 -4.404 -5.377 217 HG13 ILE 27 1HG1 ILE 27 12.093 -4.081 -7.079 218 HG21 ILE 27 1HG2 ILE 27 11.221 -2.448 -3.921 219 HG22 ILE 27 2HG2 ILE 27 12.194 -0.997 -4.163 220 HG23 ILE 27 3HG2 ILE 27 12.980 -2.541 -3.833 221 HD11 ILE 27 1HD1 ILE 27 14.166 -4.782 -6.799 222 HD12 ILE 27 2HD1 ILE 27 13.871 -5.026 -5.079 223 HD13 ILE 27 3HD1 ILE 27 14.451 -3.467 -5.660 224 H GLU 28 H GLU 28 11.735 -0.023 -8.077 225 HA GLU 28 HA GLU 28 11.775 2.165 -6.311 226 HB2 GLU 28 2HB GLU 28 11.927 1.847 -9.278 227 HB3 GLU 28 1HB GLU 28 11.702 3.457 -8.609 228 HG2 GLU 28 2HG GLU 28 13.847 1.854 -7.388 229 HG3 GLU 28 1HG GLU 28 14.100 2.334 -9.067 230 H GLU 29 H GLU 29 9.469 1.461 -8.955 231 HA GLU 29 HA GLU 29 7.728 3.588 -8.393 232 HB2 GLU 29 2HB GLU 29 7.610 2.472 -10.518 233 HB3 GLU 29 1HB GLU 29 7.239 0.935 -9.749 234 HG2 GLU 29 2HG GLU 29 5.066 1.363 -9.783 235 HG3 GLU 29 1HG GLU 29 5.305 2.921 -8.993 236 H LEU 30 H LEU 30 7.993 0.402 -7.005 237 HA LEU 30 HA LEU 30 5.445 0.415 -5.728 238 HB2 LEU 30 2HB LEU 30 7.924 -1.230 -5.249 239 HB3 LEU 30 1HB LEU 30 6.409 -1.487 -4.404 240 HG LEU 30 HG LEU 30 6.721 -1.674 -7.398 241 HD11 LEU 30 1HD1 LEU 30 6.234 -4.195 -6.601 242 HD12 LEU 30 2HD1 LEU 30 7.203 -3.623 -5.244 243 HD13 LEU 30 3HD1 LEU 30 7.852 -3.553 -6.881 244 HD21 LEU 30 1HD2 LEU 30 4.506 -2.874 -5.802 245 HD22 LEU 30 2HD2 LEU 30 4.534 -2.369 -7.492 246 HD23 LEU 30 3HD2 LEU 30 4.453 -1.160 -6.212 247 H LYS 31 H LYS 31 8.497 1.809 -4.982 248 HA LYS 31 HA LYS 31 8.093 1.962 -2.143 249 HB2 LYS 31 2HB LYS 31 10.341 1.913 -3.125 250 HB3 LYS 31 1HB LYS 31 10.027 3.441 -3.936 251 HG2 LYS 31 2HG LYS 31 10.410 4.649 -2.089 252 HG3 LYS 31 1HG LYS 31 9.611 3.480 -1.035 253 HD2 LYS 31 2HD LYS 31 12.193 2.676 -2.253 254 HD3 LYS 31 1HD LYS 31 12.246 3.899 -0.980 255 HE2 LYS 31 2HE LYS 31 11.029 2.401 0.516 256 HE3 LYS 31 1HE LYS 31 10.948 1.185 -0.758 257 HZ1 LYS 31 1HZ LYS 31 13.244 2.034 0.856 258 HZ2 LYS 31 2HZ LYS 31 13.527 1.478 -0.716 259 HZ3 LYS 31 3HZ LYS 31 12.759 0.475 0.410 260 H LYS 32 H LYS 32 8.231 4.486 -4.673 261 HA LYS 32 HA LYS 32 7.393 6.613 -3.118 262 HB2 LYS 32 2HB LYS 32 8.032 6.234 -5.774 263 HB3 LYS 32 1HB LYS 32 6.340 6.706 -5.847 264 HG2 LYS 32 2HG LYS 32 6.849 8.828 -5.475 265 HG3 LYS 32 1HG LYS 32 7.765 8.410 -4.025 266 HD2 LYS 32 2HD LYS 32 9.558 7.640 -5.809 267 HD3 LYS 32 1HD LYS 32 8.700 8.801 -6.825 268 HE2 LYS 32 2HE LYS 32 10.132 10.276 -5.903 269 HE3 LYS 32 1HE LYS 32 8.984 10.250 -4.566 270 HZ1 LYS 32 1HZ LYS 32 11.631 9.002 -4.766 271 HZ2 LYS 32 2HZ LYS 32 10.462 8.264 -3.793 272 HZ3 LYS 32 3HZ LYS 32 10.938 9.857 -3.480 273 H LYS 33 H LYS 33 5.479 4.131 -4.681 274 HA LYS 33 HA LYS 33 2.972 5.453 -4.159 275 HB2 LYS 33 2HB LYS 33 3.835 3.426 -5.880 276 HB3 LYS 33 1HB LYS 33 2.729 2.635 -4.768 277 HG2 LYS 33 2HG LYS 33 1.143 4.593 -5.289 278 HG3 LYS 33 1HG LYS 33 2.195 4.872 -6.678 279 HD2 LYS 33 2HD LYS 33 0.465 3.488 -7.475 280 HD3 LYS 33 1HD LYS 33 1.849 2.417 -7.240 281 HE2 LYS 33 2HE LYS 33 -0.011 1.271 -6.347 282 HE3 LYS 33 1HE LYS 33 0.886 1.889 -4.960 283 HZ1 LYS 33 1HZ LYS 33 -1.681 2.176 -5.104 284 HZ2 LYS 33 2HZ LYS 33 -1.296 3.503 -6.080 285 HZ3 LYS 33 3HZ LYS 33 -0.722 3.428 -4.491 286 H CYS 34 H CYS 34 5.003 3.180 -2.525 287 HA CYS 34 HA CYS 34 3.083 1.914 -0.894 288 HB2 CYS 34 2HB CYS 34 5.849 1.791 -1.281 289 HB3 CYS 34 1HB CYS 34 5.663 2.236 0.403 290 H GLU 35 H GLU 35 5.367 4.519 -0.028 291 HA GLU 35 HA GLU 35 4.173 5.001 2.488 292 HB2 GLU 35 2HB GLU 35 5.596 7.075 2.474 293 HB3 GLU 35 1HB GLU 35 6.462 5.564 2.242 294 HG2 GLU 35 2HG GLU 35 7.293 6.276 0.328 295 HG3 GLU 35 1HG GLU 35 5.676 6.599 -0.292 296 H GLU 36 H GLU 36 3.892 6.631 -0.641 297 HA GLU 36 HA GLU 36 2.373 8.820 0.206 298 HB2 GLU 36 2HB GLU 36 3.457 8.205 -2.124 299 HB3 GLU 36 1HB GLU 36 1.849 7.579 -2.461 300 HG2 GLU 36 2HG GLU 36 0.979 9.855 -1.746 301 HG3 GLU 36 1HG GLU 36 2.654 10.397 -1.834 302 H LEU 37 H LEU 37 1.516 5.519 -0.371 303 HA LEU 37 HA LEU 37 -1.287 5.864 -0.620 304 HB2 LEU 37 2HB LEU 37 -0.360 3.874 -1.483 305 HB3 LEU 37 1HB LEU 37 0.491 3.525 0.005 306 HG LEU 37 HG LEU 37 -1.457 2.768 1.083 307 HD11 LEU 37 1HD1 LEU 37 -2.793 4.582 -0.723 308 HD12 LEU 37 2HD1 LEU 37 -3.350 3.902 0.806 309 HD13 LEU 37 3HD1 LEU 37 -3.588 3.007 -0.696 310 HD21 LEU 37 1HD2 LEU 37 -2.208 1.718 -1.565 311 HD22 LEU 37 2HD2 LEU 37 -1.792 0.866 -0.078 312 HD23 LEU 37 3HD2 LEU 37 -0.518 1.519 -1.106 313 H LYS 38 H LYS 38 0.844 5.168 2.118 314 HA LYS 38 HA LYS 38 -1.145 4.640 4.022 315 HB2 LYS 38 2HB LYS 38 1.708 5.518 4.161 316 HB3 LYS 38 1HB LYS 38 0.735 5.552 5.625 317 HG2 LYS 38 2HG LYS 38 0.162 3.078 4.782 318 HG3 LYS 38 1HG LYS 38 1.773 3.259 4.087 319 HD2 LYS 38 2HD LYS 38 1.557 4.183 6.858 320 HD3 LYS 38 1HD LYS 38 1.239 2.460 6.648 321 HE2 LYS 38 2HE LYS 38 3.372 2.255 5.416 322 HE3 LYS 38 1HE LYS 38 3.694 3.958 5.740 323 HZ1 LYS 38 1HZ LYS 38 4.846 2.728 7.366 324 HZ2 LYS 38 2HZ LYS 38 3.512 1.744 7.700 325 HZ3 LYS 38 3HZ LYS 38 3.496 3.372 8.157 326 H LYS 39 H LYS 39 0.685 7.671 3.553 327 HA LYS 39 HA LYS 39 -0.627 9.253 5.373 328 HB2 LYS 39 2HB LYS 39 0.122 11.170 4.081 329 HB3 LYS 39 1HB LYS 39 1.380 9.942 4.128 330 HG2 LYS 39 2HG LYS 39 0.624 9.190 1.873 331 HG3 LYS 39 1HG LYS 39 -0.455 10.586 1.834 332 HD2 LYS 39 2HD LYS 39 2.429 11.018 2.447 333 HD3 LYS 39 1HD LYS 39 1.955 10.699 0.778 334 HE2 LYS 39 2HE LYS 39 0.120 12.583 1.683 335 HE3 LYS 39 1HE LYS 39 1.663 13.106 2.358 336 HZ1 LYS 39 1HZ LYS 39 1.873 14.072 0.356 337 HZ2 LYS 39 2HZ LYS 39 0.784 13.026 -0.406 338 HZ3 LYS 39 3HZ LYS 39 2.381 12.536 -0.140 339 H LYS 40 H LYS 40 -1.749 8.179 2.258 340 HA LYS 40 HA LYS 40 -3.829 10.093 1.956 341 HB2 LYS 40 2HB LYS 40 -2.798 8.578 0.160 342 HB3 LYS 40 1HB LYS 40 -3.850 7.316 0.786 343 HG2 LYS 40 2HG LYS 40 -5.253 8.082 -0.789 344 HG3 LYS 40 1HG LYS 40 -5.645 9.288 0.440 345 HD2 LYS 40 2HD LYS 40 -3.316 9.986 -1.182 346 HD3 LYS 40 1HD LYS 40 -4.804 9.825 -2.118 347 HE2 LYS 40 2HE LYS 40 -5.175 11.949 -1.502 348 HE3 LYS 40 1HE LYS 40 -5.667 11.245 0.037 349 HZ1 LYS 40 1HZ LYS 40 -3.826 11.986 1.065 350 HZ2 LYS 40 2HZ LYS 40 -3.802 13.122 -0.188 351 HZ3 LYS 40 3HZ LYS 40 -2.823 11.746 -0.277 352 H ILE 41 H ILE 41 -3.537 7.088 3.688 353 HA ILE 41 HA ILE 41 -6.359 6.711 4.069 354 HB ILE 41 HB ILE 41 -4.213 5.525 5.816 355 HG12 ILE 41 2HG1 ILE 41 -5.108 4.588 3.081 356 HG13 ILE 41 1HG1 ILE 41 -3.499 5.149 3.519 357 HG21 ILE 41 1HG2 ILE 41 -6.070 4.692 6.748 358 HG22 ILE 41 2HG2 ILE 41 -6.111 3.618 5.349 359 HG23 ILE 41 3HG2 ILE 41 -7.068 5.100 5.353 360 HD11 ILE 41 1HD1 ILE 41 -3.147 2.914 3.591 361 HD12 ILE 41 2HD1 ILE 41 -4.812 2.551 4.046 362 HD13 ILE 41 3HD1 ILE 41 -3.682 3.162 5.254 363 H GLU 42 H GLU 42 -3.781 8.374 5.733 364 HA GLU 42 HA GLU 42 -5.124 8.733 8.210 365 HB2 GLU 42 2HB GLU 42 -2.691 9.801 6.906 366 HB3 GLU 42 1HB GLU 42 -3.419 10.835 8.129 367 HG2 GLU 42 2HG GLU 42 -3.083 9.276 9.823 368 HG3 GLU 42 1HG GLU 42 -2.850 7.951 8.684 369 H GLU 43 H GLU 43 -5.064 10.463 5.173 370 HA GLU 43 HA GLU 43 -6.421 12.787 6.145 371 HB2 GLU 43 2HB GLU 43 -6.446 13.531 3.899 372 HB3 GLU 43 1HB GLU 43 -4.926 12.673 4.094 373 HG2 GLU 43 2HG GLU 43 -5.419 11.334 2.411 374 HG3 GLU 43 1HG GLU 43 -6.924 10.847 3.184 375 H LEU 44 H LEU 44 -7.340 9.716 4.818 376 HA LEU 44 HA LEU 44 -9.986 10.258 4.078 377 HB2 LEU 44 2HB LEU 44 -8.455 7.813 4.835 378 HB3 LEU 44 1HB LEU 44 -10.199 7.702 4.728 379 HG LEU 44 HG LEU 44 -8.313 8.489 2.509 380 HD11 LEU 44 1HD1 LEU 44 -9.813 6.010 3.214 381 HD12 LEU 44 2HD1 LEU 44 -8.171 6.199 2.600 382 HD13 LEU 44 3HD1 LEU 44 -9.546 6.407 1.517 383 HD21 LEU 44 1HD2 LEU 44 -11.311 8.494 2.680 384 HD22 LEU 44 2HD2 LEU 44 -10.460 8.350 1.142 385 HD23 LEU 44 3HD2 LEU 44 -10.234 9.784 2.144 386 H GLY 45 H GLY 45 -11.917 9.245 5.226 387 HA2 GLY 45 2HA GLY 45 -11.698 9.498 8.149 388 HA3 GLY 45 1HA GLY 45 -12.891 10.461 7.291 389 H GLY 46 H GLY 46 -14.766 9.509 6.550 390 HA2 GLY 46 2HA GLY 46 -15.415 6.968 7.800 391 HA3 GLY 46 1HA GLY 46 -16.536 8.051 6.987 392 H GLY 47 H GLY 47 -17.519 6.574 5.670 393 HA2 GLY 47 2HA GLY 47 -15.877 4.839 3.998 394 HA3 GLY 47 1HA GLY 47 -17.630 4.807 4.126 395 H GLY 48 H GLY 48 -17.066 4.571 1.685 396 HA2 GLY 48 2HA GLY 48 -17.922 5.740 -0.219 397 HA3 GLY 48 1HA GLY 48 -17.413 7.249 0.523 398 H GLU 49 H GLU 49 -15.140 7.749 0.564 399 HA GLU 49 HA GLU 49 -13.855 7.184 -1.887 400 HB2 GLU 49 2HB GLU 49 -13.588 9.271 -0.508 401 HB3 GLU 49 1HB GLU 49 -12.586 8.340 0.596 402 HG2 GLU 49 2HG GLU 49 -10.899 9.078 -0.662 403 HG3 GLU 49 1HG GLU 49 -11.389 7.796 -1.769 404 H VAL 50 H VAL 50 -13.973 5.452 1.036 405 HA VAL 50 HA VAL 50 -11.438 4.304 1.188 406 HB VAL 50 HB VAL 50 -14.027 2.903 1.853 407 HG11 VAL 50 1HG1 VAL 50 -11.187 2.565 2.791 408 HG12 VAL 50 2HG1 VAL 50 -12.205 1.386 1.964 409 HG13 VAL 50 3HG1 VAL 50 -12.574 1.858 3.622 410 HG21 VAL 50 1HG2 VAL 50 -13.578 3.844 4.168 411 HG22 VAL 50 2HG2 VAL 50 -14.174 4.981 2.958 412 HG23 VAL 50 3HG2 VAL 50 -12.462 4.963 3.385 413 H LYS 51 H LYS 51 -13.906 3.842 -1.153 414 HA LYS 51 HA LYS 51 -13.174 1.196 -1.946 415 HB2 LYS 51 2HB LYS 51 -15.126 3.200 -2.726 416 HB3 LYS 51 1HB LYS 51 -14.422 2.404 -4.128 417 HG2 LYS 51 2HG LYS 51 -15.482 0.479 -3.719 418 HG3 LYS 51 1HG LYS 51 -15.192 0.574 -1.981 419 HD2 LYS 51 2HD LYS 51 -16.982 2.443 -2.027 420 HD3 LYS 51 1HD LYS 51 -17.420 1.762 -3.596 421 HE2 LYS 51 2HE LYS 51 -18.811 0.780 -1.894 422 HE3 LYS 51 1HE LYS 51 -17.702 -0.445 -2.512 423 HZ1 LYS 51 1HZ LYS 51 -17.955 -0.402 -0.048 424 HZ2 LYS 51 2HZ LYS 51 -17.199 1.111 -0.037 425 HZ3 LYS 51 3HZ LYS 51 -16.357 -0.249 -0.585 426 H LYS 52 H LYS 52 -12.126 4.418 -2.794 427 HA LYS 52 HA LYS 52 -10.734 3.613 -5.177 428 HB2 LYS 52 2HB LYS 52 -11.523 5.870 -5.074 429 HB3 LYS 52 1HB LYS 52 -10.711 6.149 -3.540 430 HG2 LYS 52 2HG LYS 52 -8.614 6.285 -4.529 431 HG3 LYS 52 1HG LYS 52 -9.148 5.466 -5.999 432 HD2 LYS 52 2HD LYS 52 -9.951 7.365 -6.919 433 HD3 LYS 52 1HD LYS 52 -10.554 7.976 -5.376 434 HE2 LYS 52 2HE LYS 52 -8.678 9.145 -4.971 435 HE3 LYS 52 1HE LYS 52 -7.631 7.860 -5.572 436 HZ1 LYS 52 1HZ LYS 52 -8.689 8.687 -7.847 437 HZ2 LYS 52 2HZ LYS 52 -7.284 9.367 -7.198 438 HZ3 LYS 52 3HZ LYS 52 -8.773 10.138 -6.981 439 H VAL 53 H VAL 53 -9.622 4.800 -2.000 440 HA VAL 53 HA VAL 53 -6.902 4.317 -2.374 441 HB VAL 53 HB VAL 53 -8.332 4.074 0.275 442 HG11 VAL 53 1HG1 VAL 53 -6.318 4.234 1.258 443 HG12 VAL 53 2HG1 VAL 53 -5.725 5.408 0.083 444 HG13 VAL 53 3HG1 VAL 53 -5.707 3.687 -0.303 445 HG21 VAL 53 1HG2 VAL 53 -7.741 6.573 0.416 446 HG22 VAL 53 2HG2 VAL 53 -9.150 6.102 -0.536 447 HG23 VAL 53 3HG2 VAL 53 -7.633 6.499 -1.343 448 H GLU 54 H GLU 54 -9.492 2.119 -1.650 449 HA GLU 54 HA GLU 54 -7.963 0.011 -0.552 450 HB2 GLU 54 2HB GLU 54 -10.681 0.314 -1.700 451 HB3 GLU 54 1HB GLU 54 -10.017 -1.314 -1.679 452 HG2 GLU 54 2HG GLU 54 -9.840 0.273 0.816 453 HG3 GLU 54 1HG GLU 54 -11.425 -0.328 0.332 454 H GLU 55 H GLU 55 -8.740 0.971 -3.830 455 HA GLU 55 HA GLU 55 -7.699 -1.396 -5.059 456 HB2 GLU 55 2HB GLU 55 -9.409 -0.032 -6.162 457 HB3 GLU 55 1HB GLU 55 -8.297 1.327 -6.231 458 HG2 GLU 55 2HG GLU 55 -7.265 0.544 -8.047 459 HG3 GLU 55 1HG GLU 55 -7.239 -1.110 -7.436 460 H GLU 56 H GLU 56 -6.402 1.650 -4.019 461 HA GLU 56 HA GLU 56 -4.029 1.626 -5.575 462 HB2 GLU 56 2HB GLU 56 -4.936 3.079 -3.114 463 HB3 GLU 56 1HB GLU 56 -3.258 3.188 -3.622 464 HG2 GLU 56 2HG GLU 56 -3.968 4.051 -5.791 465 HG3 GLU 56 1HG GLU 56 -5.651 3.939 -5.284 466 H VAL 57 H VAL 57 -4.946 0.184 -2.533 467 HA VAL 57 HA VAL 57 -2.242 -0.533 -1.806 468 HB VAL 57 HB VAL 57 -4.765 -1.619 -0.565 469 HG11 VAL 57 1HG1 VAL 57 -1.957 -1.226 0.460 470 HG12 VAL 57 2HG1 VAL 57 -2.751 -2.759 0.099 471 HG13 VAL 57 3HG1 VAL 57 -3.319 -1.766 1.441 472 HG21 VAL 57 1HG2 VAL 57 -5.297 0.387 0.223 473 HG22 VAL 57 2HG2 VAL 57 -3.950 1.102 -0.661 474 HG23 VAL 57 3HG2 VAL 57 -3.709 0.515 0.983 475 H LYS 58 H LYS 58 -4.896 -1.935 -3.523 476 HA LYS 58 HA LYS 58 -4.051 -4.654 -3.299 477 HB2 LYS 58 2HB LYS 58 -6.252 -3.201 -4.472 478 HB3 LYS 58 1HB LYS 58 -5.640 -4.407 -5.597 479 HG2 LYS 58 2HG LYS 58 -7.068 -5.754 -4.508 480 HG3 LYS 58 1HG LYS 58 -5.743 -5.878 -3.348 481 HD2 LYS 58 2HD LYS 58 -6.755 -3.971 -2.097 482 HD3 LYS 58 1HD LYS 58 -8.133 -4.046 -3.196 483 HE2 LYS 58 2HE LYS 58 -7.183 -6.316 -1.452 484 HE3 LYS 58 1HE LYS 58 -8.524 -5.239 -1.064 485 HZ1 LYS 58 1HZ LYS 58 -9.106 -7.442 -2.119 486 HZ2 LYS 58 2HZ LYS 58 -8.456 -6.832 -3.557 487 HZ3 LYS 58 3HZ LYS 58 -9.783 -6.068 -2.840 488 H LYS 59 H LYS 59 -3.309 -2.021 -5.457 489 HA LYS 59 HA LYS 59 -2.251 -3.664 -7.551 490 HB2 LYS 59 2HB LYS 59 -3.135 -1.381 -7.942 491 HB3 LYS 59 1HB LYS 59 -1.785 -0.723 -7.026 492 HG2 LYS 59 2HG LYS 59 -0.871 -2.488 -9.124 493 HG3 LYS 59 1HG LYS 59 -1.887 -1.193 -9.761 494 HD2 LYS 59 2HD LYS 59 -0.392 0.305 -8.194 495 HD3 LYS 59 1HD LYS 59 0.742 -1.037 -8.357 496 HE2 LYS 59 2HE LYS 59 1.060 -0.678 -10.597 497 HE3 LYS 59 1HE LYS 59 -0.534 0.043 -10.817 498 HZ1 LYS 59 1HZ LYS 59 1.957 1.284 -9.898 499 HZ2 LYS 59 2HZ LYS 59 0.496 1.891 -9.301 500 HZ3 LYS 59 3HZ LYS 59 0.786 1.878 -10.967 501 H LEU 60 H LEU 60 -0.834 -1.896 -4.824 502 HA LEU 60 HA LEU 60 1.853 -2.487 -5.642 503 HB2 LEU 60 2HB LEU 60 0.981 -0.524 -4.180 504 HB3 LEU 60 1HB LEU 60 1.121 -1.670 -2.859 505 HG LEU 60 HG LEU 60 3.521 -1.587 -4.505 506 HD11 LEU 60 1HD1 LEU 60 2.289 0.927 -3.844 507 HD12 LEU 60 2HD1 LEU 60 3.740 0.593 -4.788 508 HD13 LEU 60 3HD1 LEU 60 3.844 0.749 -3.035 509 HD21 LEU 60 1HD2 LEU 60 3.415 -2.672 -2.338 510 HD22 LEU 60 2HD2 LEU 60 3.002 -1.137 -1.572 511 HD23 LEU 60 3HD2 LEU 60 4.587 -1.354 -2.316 512 H GLU 61 H GLU 61 -0.529 -4.066 -3.696 513 HA GLU 61 HA GLU 61 1.245 -5.701 -2.194 514 HB2 GLU 61 2HB GLU 61 -1.438 -5.157 -2.111 515 HB3 GLU 61 1HB GLU 61 -1.425 -6.791 -2.754 516 HG2 GLU 61 2HG GLU 61 0.312 -7.075 -0.721 517 HG3 GLU 61 1HG GLU 61 -0.723 -5.799 -0.080 518 H GLU 62 H GLU 62 -0.781 -6.342 -5.041 519 HA GLU 62 HA GLU 62 0.173 -8.958 -5.495 520 HB2 GLU 62 2HB GLU 62 -1.893 -7.496 -6.448 521 HB3 GLU 62 1HB GLU 62 -0.794 -7.399 -7.817 522 HG2 GLU 62 2HG GLU 62 -0.753 -9.761 -8.055 523 HG3 GLU 62 1HG GLU 62 -1.589 -9.988 -6.519 524 H GLU 63 H GLU 63 1.368 -5.818 -6.370 525 HA GLU 63 HA GLU 63 2.986 -6.512 -8.553 526 HB2 GLU 63 2HB GLU 63 2.473 -4.205 -7.010 527 HB3 GLU 63 1HB GLU 63 4.215 -4.440 -6.980 528 HG2 GLU 63 2HG GLU 63 2.680 -4.525 -9.549 529 HG3 GLU 63 1HG GLU 63 3.206 -2.999 -8.839 530 H ILE 64 H ILE 64 3.908 -6.098 -5.134 531 HA ILE 64 HA ILE 64 6.552 -6.919 -5.355 532 HB ILE 64 HB ILE 64 4.774 -7.415 -2.965 533 HG12 ILE 64 2HG1 ILE 64 6.317 -4.928 -3.739 534 HG13 ILE 64 1HG1 ILE 64 4.567 -5.082 -3.680 535 HG21 ILE 64 1HG2 ILE 64 7.710 -6.789 -2.968 536 HG22 ILE 64 2HG2 ILE 64 7.105 -8.440 -3.096 537 HG23 ILE 64 3HG2 ILE 64 6.729 -7.471 -1.672 538 HD11 ILE 64 1HD1 ILE 64 5.697 -3.916 -1.737 539 HD12 ILE 64 2HD1 ILE 64 6.275 -5.511 -1.257 540 HD13 ILE 64 3HD1 ILE 64 4.543 -5.189 -1.343 541 H LYS 65 H LYS 65 3.622 -8.784 -5.315 542 HA LYS 65 HA LYS 65 4.658 -11.277 -4.544 543 HB2 LYS 65 2HB LYS 65 2.197 -10.251 -5.668 544 HB3 LYS 65 1HB LYS 65 2.624 -11.788 -6.408 545 HG2 LYS 65 2HG LYS 65 1.624 -12.731 -4.662 546 HG3 LYS 65 1HG LYS 65 3.052 -12.261 -3.739 547 HD2 LYS 65 2HD LYS 65 1.613 -9.962 -3.675 548 HD3 LYS 65 1HD LYS 65 0.323 -11.167 -3.695 549 HE2 LYS 65 2HE LYS 65 2.028 -12.237 -1.868 550 HE3 LYS 65 1HE LYS 65 2.269 -10.511 -1.597 551 HZ1 LYS 65 1HZ LYS 65 0.004 -10.214 -1.107 552 HZ2 LYS 65 2HZ LYS 65 0.460 -11.605 -0.260 553 HZ3 LYS 65 3HZ LYS 65 -0.421 -11.742 -1.696 554 H LYS 66 H LYS 66 4.618 -9.599 -7.622 555 HA LYS 66 HA LYS 66 5.391 -11.794 -9.235 556 HB2 LYS 66 2HB LYS 66 5.290 -8.840 -9.549 557 HB3 LYS 66 1HB LYS 66 6.330 -9.727 -10.655 558 HG2 LYS 66 2HG LYS 66 3.566 -10.727 -10.277 559 HG3 LYS 66 1HG LYS 66 3.784 -9.230 -11.187 560 HD2 LYS 66 2HD LYS 66 5.726 -10.875 -12.234 561 HD3 LYS 66 1HD LYS 66 4.387 -11.986 -11.936 562 HE2 LYS 66 2HE LYS 66 3.026 -10.974 -13.462 563 HE3 LYS 66 1HE LYS 66 3.764 -9.389 -13.232 564 HZ1 LYS 66 1HZ LYS 66 5.794 -10.512 -14.345 565 HZ2 LYS 66 2HZ LYS 66 4.510 -9.979 -15.308 566 HZ3 LYS 66 3HZ LYS 66 4.656 -11.621 -14.927 567 H LEU 67 H LEU 67 7.310 -9.014 -8.093 568 HA LEU 67 HA LEU 67 9.799 -9.974 -8.880 569 HB2 LEU 67 2HB LEU 67 10.681 -8.394 -7.158 570 HB3 LEU 67 1HB LEU 67 9.566 -7.686 -8.306 571 HG LEU 67 HG LEU 67 7.795 -8.191 -6.423 572 HD11 LEU 67 1HD1 LEU 67 8.978 -9.318 -4.794 573 HD12 LEU 67 2HD1 LEU 67 9.013 -7.658 -4.199 574 HD13 LEU 67 3HD1 LEU 67 10.424 -8.332 -5.015 575 HD21 LEU 67 1HD2 LEU 67 8.017 -5.983 -7.062 576 HD22 LEU 67 2HD2 LEU 67 9.733 -5.929 -6.656 577 HD23 LEU 67 3HD2 LEU 67 8.523 -5.932 -5.372 578 H6 HTS 101 H6 HTS 68 8.177 3.223 3.752 579 H3 HTS 101 H3 HTS 68 7.812 -0.907 1.086 580 H4 HTS 101 H4 HTS 68 10.021 0.110 1.485 581 H5 HTS 101 H5 HTS 68 10.202 2.169 2.826 582 HO1 HTS 101 HO1 HTS 68 5.776 2.344 4.411 Start of MODEL 31 1 H1 GLY 1 1H GLY 1 -10.603 -2.091 13.298 2 H2 GLY 1 2H GLY 1 -10.870 -3.637 13.928 3 H3 GLY 1 3H GLY 1 -9.809 -2.579 14.711 4 HA2 GLY 1 1HA GLY 1 -11.949 -2.741 15.863 5 HA3 GLY 1 2HA GLY 1 -11.586 -1.112 15.312 6 H SER 2 H SER 2 -12.254 -1.135 12.698 7 HA SER 2 HA SER 2 -15.059 -2.022 12.638 8 HB2 SER 2 2HB SER 2 -14.995 0.388 13.117 9 HB3 SER 2 1HB SER 2 -14.008 0.652 11.680 10 HG SER 2 HG SER 2 -16.351 1.004 11.468 11 H ARG 3 H ARG 3 -12.702 -0.454 10.463 12 HA ARG 3 HA ARG 3 -12.612 -2.709 8.705 13 HB2 ARG 3 2HB ARG 3 -14.844 -1.411 8.257 14 HB3 ARG 3 1HB ARG 3 -13.794 -0.269 7.430 15 HG2 ARG 3 2HG ARG 3 -13.298 -3.036 6.667 16 HG3 ARG 3 1HG ARG 3 -14.942 -2.496 6.320 17 HD2 ARG 3 2HD ARG 3 -13.824 -0.423 5.292 18 HD3 ARG 3 1HD ARG 3 -12.344 -1.380 5.318 19 HE ARG 3 HE ARG 3 -13.117 -2.486 3.489 20 HH11 ARG 3 1HH1 ARG 3 -15.859 -1.138 5.174 21 HH12 ARG 3 2HH1 ARG 3 -17.004 -1.653 3.981 22 HH21 ARG 3 1HH2 ARG 3 -14.620 -3.164 1.918 23 HH22 ARG 3 2HH2 ARG 3 -16.301 -2.804 2.133 24 H VAL 4 H VAL 4 -12.370 0.834 8.345 25 HA VAL 4 HA VAL 4 -10.031 0.756 6.781 26 HB VAL 4 HB VAL 4 -10.918 3.056 8.521 27 HG11 VAL 4 1HG1 VAL 4 -8.865 3.680 7.699 28 HG12 VAL 4 2HG1 VAL 4 -9.929 4.267 6.421 29 HG13 VAL 4 3HG1 VAL 4 -9.056 2.750 6.213 30 HG21 VAL 4 1HG2 VAL 4 -12.844 2.821 7.346 31 HG22 VAL 4 2HG2 VAL 4 -12.065 1.937 6.033 32 HG23 VAL 4 3HG2 VAL 4 -11.918 3.691 6.124 33 H LYS 5 H LYS 5 -10.545 0.758 10.230 34 HA LYS 5 HA LYS 5 -8.055 1.617 11.131 35 HB2 LYS 5 2HB LYS 5 -10.271 0.911 12.395 36 HB3 LYS 5 1HB LYS 5 -9.428 -0.626 12.543 37 HG2 LYS 5 2HG LYS 5 -7.565 0.492 13.648 38 HG3 LYS 5 1HG LYS 5 -8.395 2.042 13.487 39 HD2 LYS 5 2HD LYS 5 -9.933 -0.125 14.771 40 HD3 LYS 5 1HD LYS 5 -8.547 0.482 15.680 41 HE2 LYS 5 2HE LYS 5 -9.621 2.813 14.940 42 HE3 LYS 5 1HE LYS 5 -11.082 1.827 14.945 43 HZ1 LYS 5 1HZ LYS 5 -10.413 1.124 17.242 44 HZ2 LYS 5 2HZ LYS 5 -10.875 2.744 17.090 45 HZ3 LYS 5 3HZ LYS 5 -9.236 2.340 17.204 46 H ALA 6 H ALA 6 -9.091 -1.520 9.937 47 HA ALA 6 HA ALA 6 -6.583 -2.796 10.604 48 HB1 ALA 6 1HB ALA 6 -8.686 -3.936 8.790 49 HB2 ALA 6 2HB ALA 6 -8.883 -3.915 10.542 50 HB3 ALA 6 3HB ALA 6 -7.532 -4.787 9.817 51 H LEU 7 H LEU 7 -7.988 -1.153 7.892 52 HA LEU 7 HA LEU 7 -6.407 -2.212 5.824 53 HB2 LEU 7 2HB LEU 7 -8.471 -0.494 5.913 54 HB3 LEU 7 1HB LEU 7 -7.161 0.652 5.703 55 HG LEU 7 HG LEU 7 -7.626 -1.692 3.863 56 HD11 LEU 7 1HD1 LEU 7 -8.497 1.178 3.555 57 HD12 LEU 7 2HD1 LEU 7 -9.552 -0.219 3.771 58 HD13 LEU 7 3HD1 LEU 7 -8.587 -0.062 2.303 59 HD21 LEU 7 1HD2 LEU 7 -5.460 -1.089 3.465 60 HD22 LEU 7 2HD2 LEU 7 -5.715 0.582 3.968 61 HD23 LEU 7 3HD2 LEU 7 -6.284 0.040 2.389 62 H GLU 8 H GLU 8 -5.735 0.139 8.294 63 HA GLU 8 HA GLU 8 -3.446 1.291 7.032 64 HB2 GLU 8 2HB GLU 8 -4.672 1.408 9.750 65 HB3 GLU 8 1HB GLU 8 -3.007 1.940 9.560 66 HG2 GLU 8 2HG GLU 8 -3.696 3.561 7.887 67 HG3 GLU 8 1HG GLU 8 -5.364 3.009 8.026 68 H GLU 9 H GLU 9 -3.988 -1.418 9.189 69 HA GLU 9 HA GLU 9 -1.208 -1.802 9.787 70 HB2 GLU 9 2HB GLU 9 -1.895 -3.780 10.959 71 HB3 GLU 9 1HB GLU 9 -3.059 -2.508 11.303 72 HG2 GLU 9 2HG GLU 9 -4.749 -3.629 10.369 73 HG3 GLU 9 1HG GLU 9 -3.767 -4.185 9.015 74 H LYS 10 H LYS 10 -3.284 -2.687 7.201 75 HA LYS 10 HA LYS 10 -1.966 -5.048 6.353 76 HB2 LYS 10 2HB LYS 10 -4.162 -3.446 5.495 77 HB3 LYS 10 1HB LYS 10 -3.101 -3.692 4.116 78 HG2 LYS 10 2HG LYS 10 -3.711 -6.079 5.740 79 HG3 LYS 10 1HG LYS 10 -5.041 -5.395 4.805 80 HD2 LYS 10 2HD LYS 10 -4.203 -6.165 2.884 81 HD3 LYS 10 1HD LYS 10 -2.594 -5.541 3.255 82 HE2 LYS 10 2HE LYS 10 -3.788 -8.157 4.160 83 HE3 LYS 10 1HE LYS 10 -2.472 -7.931 3.009 84 HZ1 LYS 10 1HZ LYS 10 -1.244 -8.327 4.842 85 HZ2 LYS 10 2HZ LYS 10 -2.439 -7.796 5.916 86 HZ3 LYS 10 3HZ LYS 10 -1.470 -6.670 5.107 87 H VAL 11 H VAL 11 -1.744 -1.677 5.238 88 HA VAL 11 HA VAL 11 0.383 -2.211 3.417 89 HB VAL 11 HB VAL 11 -0.411 0.471 4.554 90 HG11 VAL 11 1HG1 VAL 11 0.507 0.329 1.790 91 HG12 VAL 11 2HG1 VAL 11 1.725 -0.188 2.956 92 HG13 VAL 11 3HG1 VAL 11 0.997 1.412 3.094 93 HG21 VAL 11 1HG2 VAL 11 -2.098 -1.200 3.205 94 HG22 VAL 11 2HG2 VAL 11 -1.410 -0.239 1.897 95 HG23 VAL 11 3HG2 VAL 11 -2.226 0.558 3.241 96 H LYS 12 H LYS 12 0.206 -1.311 6.747 97 HA LYS 12 HA LYS 12 2.791 -0.283 7.112 98 HB2 LYS 12 2HB LYS 12 0.752 -0.341 8.733 99 HB3 LYS 12 1HB LYS 12 1.404 -1.897 9.229 100 HG2 LYS 12 2HG LYS 12 3.609 -0.623 9.582 101 HG3 LYS 12 1HG LYS 12 2.604 0.827 9.529 102 HD2 LYS 12 2HD LYS 12 2.468 0.446 11.758 103 HD3 LYS 12 1HD LYS 12 1.171 -0.641 11.255 104 HE2 LYS 12 2HE LYS 12 3.181 -2.345 11.028 105 HE3 LYS 12 1HE LYS 12 3.919 -1.263 12.207 106 HZ1 LYS 12 1HZ LYS 12 1.188 -2.122 12.746 107 HZ2 LYS 12 2HZ LYS 12 2.477 -1.879 13.814 108 HZ3 LYS 12 3HZ LYS 12 2.393 -3.299 12.899 109 H ALA 13 H ALA 13 1.536 -3.558 7.065 110 HA ALA 13 HA ALA 13 4.072 -4.736 7.829 111 HB1 ALA 13 1HB ALA 13 2.965 -6.726 7.966 112 HB2 ALA 13 2HB ALA 13 1.941 -6.379 6.572 113 HB3 ALA 13 3HB ALA 13 1.586 -5.639 8.133 114 H LEU 14 H LEU 14 2.410 -3.762 5.011 115 HA LEU 14 HA LEU 14 3.674 -5.350 3.059 116 HB2 LEU 14 2HB LEU 14 1.571 -3.778 3.023 117 HB3 LEU 14 1HB LEU 14 2.728 -2.560 2.531 118 HG LEU 14 HG LEU 14 2.770 -5.111 1.017 119 HD11 LEU 14 1HD1 LEU 14 0.615 -3.104 0.445 120 HD12 LEU 14 2HD1 LEU 14 0.330 -4.508 1.472 121 HD13 LEU 14 3HD1 LEU 14 0.815 -4.730 -0.209 122 HD21 LEU 14 1HD2 LEU 14 2.718 -2.268 0.038 123 HD22 LEU 14 2HD2 LEU 14 3.290 -3.705 -0.808 124 HD23 LEU 14 3HD2 LEU 14 4.196 -3.073 0.568 125 H GLU 15 H GLU 15 4.655 -2.547 4.832 126 HA GLU 15 HA GLU 15 6.693 -1.675 3.031 127 HB2 GLU 15 2HB GLU 15 5.780 -0.026 4.463 128 HB3 GLU 15 1HB GLU 15 5.998 -1.027 5.890 129 HG2 GLU 15 2HG GLU 15 8.437 -0.778 5.657 130 HG3 GLU 15 1HG GLU 15 8.174 0.284 4.275 131 H GLU 16 H GLU 16 6.696 -3.477 6.098 132 HA GLU 16 HA GLU 16 9.402 -3.794 6.471 133 HB2 GLU 16 2HB GLU 16 7.262 -5.869 6.977 134 HB3 GLU 16 1HB GLU 16 8.864 -5.851 7.700 135 HG2 GLU 16 2HG GLU 16 7.947 -3.380 8.357 136 HG3 GLU 16 1HG GLU 16 6.464 -4.332 8.393 137 H LYS 17 H LYS 17 7.358 -5.322 4.109 138 HA LYS 17 HA LYS 17 9.204 -7.402 3.422 139 HB2 LYS 17 2HB LYS 17 6.575 -7.116 3.010 140 HB3 LYS 17 1HB LYS 17 7.157 -6.510 1.464 141 HG2 LYS 17 2HG LYS 17 8.613 -8.805 1.778 142 HG3 LYS 17 1HG LYS 17 7.061 -9.234 2.499 143 HD2 LYS 17 2HD LYS 17 6.062 -8.164 0.352 144 HD3 LYS 17 1HD LYS 17 7.681 -8.398 -0.308 145 HE2 LYS 17 2HE LYS 17 6.500 -10.329 -0.919 146 HE3 LYS 17 1HE LYS 17 7.471 -10.815 0.471 147 HZ1 LYS 17 1HZ LYS 17 4.780 -9.829 1.014 148 HZ2 LYS 17 2HZ LYS 17 5.652 -11.065 1.770 149 HZ3 LYS 17 3HZ LYS 17 4.901 -11.349 0.282 150 H VAL 18 H VAL 18 8.377 -4.230 2.082 151 HA VAL 18 HA VAL 18 10.151 -4.471 -0.150 152 HB VAL 18 HB VAL 18 9.200 -1.837 0.897 153 HG11 VAL 18 1HG1 VAL 18 9.201 -1.201 -1.411 154 HG12 VAL 18 2HG1 VAL 18 9.487 -2.866 -1.919 155 HG13 VAL 18 3HG1 VAL 18 10.742 -1.982 -1.050 156 HG21 VAL 18 1HG2 VAL 18 7.548 -4.044 -0.199 157 HG22 VAL 18 2HG2 VAL 18 7.205 -2.409 -0.765 158 HG23 VAL 18 3HG2 VAL 18 7.127 -2.780 0.956 159 H LYS 19 H LYS 19 10.239 -2.463 2.799 160 HA LYS 19 HA LYS 19 12.698 -1.283 2.448 161 HB2 LYS 19 2HB LYS 19 11.359 -2.192 4.995 162 HB3 LYS 19 1HB LYS 19 12.802 -1.188 4.965 163 HG2 LYS 19 2HG LYS 19 11.283 0.291 3.376 164 HG3 LYS 19 1HG LYS 19 10.002 -0.511 4.284 165 HD2 LYS 19 2HD LYS 19 10.307 0.996 5.895 166 HD3 LYS 19 1HD LYS 19 11.884 0.265 6.199 167 HE2 LYS 19 2HE LYS 19 12.752 1.772 4.335 168 HE3 LYS 19 1HE LYS 19 11.220 2.634 4.471 169 HZ1 LYS 19 1HZ LYS 19 12.447 2.247 7.018 170 HZ2 LYS 19 2HZ LYS 19 11.927 3.679 6.283 171 HZ3 LYS 19 3HZ LYS 19 13.474 3.076 5.959 172 H ALA 20 H ALA 20 11.990 -4.562 3.393 173 HA ALA 20 HA ALA 20 14.769 -5.089 4.103 174 HB1 ALA 20 1HB ALA 20 13.803 -7.457 4.444 175 HB2 ALA 20 2HB ALA 20 12.233 -6.666 4.298 176 HB3 ALA 20 3HB ALA 20 13.348 -6.183 5.576 177 H LEU 21 H LEU 21 12.837 -5.126 1.339 178 HA LEU 21 HA LEU 21 13.886 -7.382 -0.011 179 HB2 LEU 21 2HB LEU 21 11.881 -5.566 -0.463 180 HB3 LEU 21 1HB LEU 21 13.064 -5.113 -1.674 181 HG LEU 21 HG LEU 21 11.901 -7.878 -1.343 182 HD11 LEU 21 1HD1 LEU 21 11.348 -6.352 -3.781 183 HD12 LEU 21 2HD1 LEU 21 10.597 -5.704 -2.323 184 HD13 LEU 21 3HD1 LEU 21 10.286 -7.371 -2.808 185 HD21 LEU 21 1HD2 LEU 21 14.294 -7.297 -2.418 186 HD22 LEU 21 2HD2 LEU 21 13.260 -7.050 -3.825 187 HD23 LEU 21 3HD2 LEU 21 13.260 -8.604 -2.993 188 H GLY 22 H GLY 22 14.434 -3.950 -0.821 189 HA2 GLY 22 2HA GLY 22 17.059 -3.585 -0.618 190 HA3 GLY 22 1HA GLY 22 17.001 -4.668 -2.000 191 H GLY 23 H GLY 23 17.440 -3.474 -3.742 192 HA2 GLY 23 2HA GLY 23 15.697 -1.182 -4.289 193 HA3 GLY 23 1HA GLY 23 17.434 -0.920 -4.325 194 H GLY 24 H GLY 24 15.114 -0.987 -6.376 195 HA2 GLY 24 2HA GLY 24 16.648 -1.728 -8.598 196 HA3 GLY 24 1HA GLY 24 15.617 -3.090 -8.183 197 H GLY 25 H GLY 25 14.922 -2.508 -10.476 198 HA2 GLY 25 2HA GLY 25 13.440 -0.195 -11.035 199 HA3 GLY 25 1HA GLY 25 13.275 -1.730 -11.873 200 H ARG 26 H ARG 26 11.989 -3.420 -10.635 201 HA ARG 26 HA ARG 26 9.393 -2.526 -10.242 202 HB2 ARG 26 2HB ARG 26 8.847 -4.723 -9.556 203 HB3 ARG 26 1HB ARG 26 10.169 -4.898 -10.701 204 HG2 ARG 26 2HG ARG 26 10.486 -4.931 -7.707 205 HG3 ARG 26 1HG ARG 26 10.374 -6.367 -8.725 206 HD2 ARG 26 2HD ARG 26 12.345 -5.268 -10.021 207 HD3 ARG 26 1HD ARG 26 12.553 -4.331 -8.545 208 HE ARG 26 HE ARG 26 13.297 -6.228 -7.462 209 HH11 ARG 26 1HH1 ARG 26 12.037 -7.081 -10.607 210 HH12 ARG 26 2HH1 ARG 26 12.683 -8.687 -10.565 211 HH21 ARG 26 1HH2 ARG 26 14.142 -8.341 -7.409 212 HH22 ARG 26 2HH2 ARG 26 13.875 -9.403 -8.751 213 H ILE 27 H ILE 27 12.041 -2.701 -8.005 214 HA ILE 27 HA ILE 27 10.447 -2.489 -5.643 215 HB ILE 27 HB ILE 27 13.395 -1.938 -6.010 216 HG12 ILE 27 2HG1 ILE 27 12.005 -4.425 -4.989 217 HG13 ILE 27 1HG1 ILE 27 12.683 -4.250 -6.604 218 HG21 ILE 27 1HG2 ILE 27 12.997 -2.755 -3.415 219 HG22 ILE 27 2HG2 ILE 27 11.605 -1.715 -3.722 220 HG23 ILE 27 3HG2 ILE 27 13.238 -1.091 -3.949 221 HD11 ILE 27 1HD1 ILE 27 14.897 -3.806 -5.491 222 HD12 ILE 27 2HD1 ILE 27 14.264 -5.445 -5.335 223 HD13 ILE 27 3HD1 ILE 27 14.140 -4.318 -3.983 224 H GLU 28 H GLU 28 11.929 -0.247 -7.865 225 HA GLU 28 HA GLU 28 11.848 2.042 -6.192 226 HB2 GLU 28 2HB GLU 28 13.076 1.595 -8.481 227 HB3 GLU 28 1HB GLU 28 11.602 2.268 -9.164 228 HG2 GLU 28 2HG GLU 28 12.878 3.788 -6.974 229 HG3 GLU 28 1HG GLU 28 13.718 3.750 -8.524 230 H GLU 29 H GLU 29 9.613 0.795 -8.663 231 HA GLU 29 HA GLU 29 7.745 2.920 -8.403 232 HB2 GLU 29 2HB GLU 29 7.804 1.557 -10.415 233 HB3 GLU 29 1HB GLU 29 7.408 0.117 -9.487 234 HG2 GLU 29 2HG GLU 29 5.420 0.770 -10.555 235 HG3 GLU 29 1HG GLU 29 5.244 1.257 -8.870 236 H LEU 30 H LEU 30 8.249 -0.080 -6.724 237 HA LEU 30 HA LEU 30 5.687 -0.187 -5.463 238 HB2 LEU 30 2HB LEU 30 8.308 -1.585 -5.037 239 HB3 LEU 30 1HB LEU 30 6.992 -1.787 -3.897 240 HG LEU 30 HG LEU 30 6.613 -2.333 -6.826 241 HD11 LEU 30 1HD1 LEU 30 8.145 -3.960 -6.612 242 HD12 LEU 30 2HD1 LEU 30 6.868 -4.797 -5.732 243 HD13 LEU 30 3HD1 LEU 30 8.107 -3.905 -4.849 244 HD21 LEU 30 1HD2 LEU 30 4.524 -2.448 -5.996 245 HD22 LEU 30 2HD2 LEU 30 5.081 -2.681 -4.340 246 HD23 LEU 30 3HD2 LEU 30 5.038 -4.045 -5.456 247 H LYS 31 H LYS 31 8.621 1.504 -4.851 248 HA LYS 31 HA LYS 31 8.203 1.888 -2.040 249 HB2 LYS 31 2HB LYS 31 10.449 1.881 -2.984 250 HB3 LYS 31 1HB LYS 31 10.055 3.269 -3.987 251 HG2 LYS 31 2HG LYS 31 10.265 4.737 -2.284 252 HG3 LYS 31 1HG LYS 31 9.667 3.593 -1.082 253 HD2 LYS 31 2HD LYS 31 12.053 2.474 -1.935 254 HD3 LYS 31 1HD LYS 31 12.395 4.204 -1.881 255 HE2 LYS 31 2HE LYS 31 12.520 4.154 0.337 256 HE3 LYS 31 1HE LYS 31 10.908 3.449 0.449 257 HZ1 LYS 31 1HZ LYS 31 13.514 2.156 0.559 258 HZ2 LYS 31 2HZ LYS 31 12.298 1.314 -0.262 259 HZ3 LYS 31 3HZ LYS 31 12.072 1.761 1.354 260 H LYS 32 H LYS 32 8.192 4.188 -4.771 261 HA LYS 32 HA LYS 32 7.326 6.422 -3.444 262 HB2 LYS 32 2HB LYS 32 6.747 5.533 -6.267 263 HB3 LYS 32 1HB LYS 32 6.350 7.135 -5.660 264 HG2 LYS 32 2HG LYS 32 9.141 6.104 -5.419 265 HG3 LYS 32 1HG LYS 32 8.562 6.751 -6.956 266 HD2 LYS 32 2HD LYS 32 8.027 8.863 -5.913 267 HD3 LYS 32 1HD LYS 32 8.449 8.221 -4.324 268 HE2 LYS 32 2HE LYS 32 10.440 9.187 -4.741 269 HE3 LYS 32 1HE LYS 32 10.731 7.722 -5.678 270 HZ1 LYS 32 1HZ LYS 32 11.188 9.211 -7.283 271 HZ2 LYS 32 2HZ LYS 32 10.257 10.440 -6.586 272 HZ3 LYS 32 3HZ LYS 32 9.509 9.224 -7.494 273 H LYS 33 H LYS 33 5.205 4.165 -5.201 274 HA LYS 33 HA LYS 33 2.799 5.374 -4.389 275 HB2 LYS 33 2HB LYS 33 3.537 3.307 -6.097 276 HB3 LYS 33 1HB LYS 33 2.538 2.522 -4.883 277 HG2 LYS 33 2HG LYS 33 1.660 5.012 -6.307 278 HG3 LYS 33 1HG LYS 33 1.367 3.396 -6.953 279 HD2 LYS 33 2HD LYS 33 0.524 4.241 -4.188 280 HD3 LYS 33 1HD LYS 33 -0.518 4.403 -5.604 281 HE2 LYS 33 2HE LYS 33 0.692 1.825 -4.604 282 HE3 LYS 33 1HE LYS 33 -0.972 2.343 -4.336 283 HZ1 LYS 33 1HZ LYS 33 -0.832 2.535 -6.977 284 HZ2 LYS 33 2HZ LYS 33 -1.315 1.123 -6.181 285 HZ3 LYS 33 3HZ LYS 33 0.275 1.279 -6.736 286 H CYS 34 H CYS 34 4.880 3.129 -2.771 287 HA CYS 34 HA CYS 34 3.064 1.912 -1.027 288 HB2 CYS 34 2HB CYS 34 5.861 1.953 -1.415 289 HB3 CYS 34 1HB CYS 34 5.590 2.322 0.280 290 H GLU 35 H GLU 35 5.214 4.682 -0.297 291 HA GLU 35 HA GLU 35 4.033 5.157 2.222 292 HB2 GLU 35 2HB GLU 35 5.272 7.365 2.073 293 HB3 GLU 35 1HB GLU 35 6.247 5.906 1.966 294 HG2 GLU 35 2HG GLU 35 7.006 6.460 -0.037 295 HG3 GLU 35 1HG GLU 35 5.378 6.771 -0.634 296 H GLU 36 H GLU 36 3.779 7.009 -0.821 297 HA GLU 36 HA GLU 36 2.050 8.967 -0.030 298 HB2 GLU 36 2HB GLU 36 3.040 8.890 -2.259 299 HB3 GLU 36 1HB GLU 36 2.057 7.491 -2.668 300 HG2 GLU 36 2HG GLU 36 0.333 8.758 -3.247 301 HG3 GLU 36 1HG GLU 36 0.430 9.701 -1.761 302 H LEU 37 H LEU 37 1.370 5.609 -0.561 303 HA LEU 37 HA LEU 37 -1.452 5.805 -0.753 304 HB2 LEU 37 2HB LEU 37 -0.390 3.856 -1.602 305 HB3 LEU 37 1HB LEU 37 0.426 3.553 -0.084 306 HG LEU 37 HG LEU 37 -1.492 2.692 0.929 307 HD11 LEU 37 1HD1 LEU 37 -2.886 4.490 -0.884 308 HD12 LEU 37 2HD1 LEU 37 -3.377 3.864 0.690 309 HD13 LEU 37 3HD1 LEU 37 -3.657 2.910 -0.766 310 HD21 LEU 37 1HD2 LEU 37 -1.601 0.809 -0.254 311 HD22 LEU 37 2HD2 LEU 37 -0.601 1.621 -1.457 312 HD23 LEU 37 3HD2 LEU 37 -2.357 1.621 -1.625 313 H LYS 38 H LYS 38 0.785 5.346 1.933 314 HA LYS 38 HA LYS 38 -1.124 4.732 3.908 315 HB2 LYS 38 2HB LYS 38 1.699 5.641 3.880 316 HB3 LYS 38 1HB LYS 38 0.805 5.896 5.372 317 HG2 LYS 38 2HG LYS 38 0.325 3.548 5.549 318 HG3 LYS 38 1HG LYS 38 1.058 3.243 3.973 319 HD2 LYS 38 2HD LYS 38 3.221 4.044 4.864 320 HD3 LYS 38 1HD LYS 38 2.467 4.243 6.448 321 HE2 LYS 38 2HE LYS 38 3.218 2.153 6.801 322 HE3 LYS 38 1HE LYS 38 1.787 1.685 5.882 323 HZ1 LYS 38 1HZ LYS 38 3.527 2.100 3.914 324 HZ2 LYS 38 2HZ LYS 38 3.304 0.596 4.653 325 HZ3 LYS 38 3HZ LYS 38 4.589 1.588 5.128 326 H LYS 39 H LYS 39 0.528 7.840 3.299 327 HA LYS 39 HA LYS 39 -0.827 9.409 5.100 328 HB2 LYS 39 2HB LYS 39 -0.302 11.319 3.589 329 HB3 LYS 39 1HB LYS 39 1.073 10.269 3.904 330 HG2 LYS 39 2HG LYS 39 0.476 9.120 1.705 331 HG3 LYS 39 1HG LYS 39 -0.550 10.522 1.399 332 HD2 LYS 39 2HD LYS 39 1.731 11.754 2.134 333 HD3 LYS 39 1HD LYS 39 2.393 10.286 1.415 334 HE2 LYS 39 2HE LYS 39 1.668 10.820 -0.678 335 HE3 LYS 39 1HE LYS 39 0.261 11.700 -0.083 336 HZ1 LYS 39 1HZ LYS 39 1.777 13.251 -1.034 337 HZ2 LYS 39 2HZ LYS 39 3.072 12.650 -0.127 338 HZ3 LYS 39 3HZ LYS 39 1.812 13.473 0.644 339 H LYS 40 H LYS 40 -1.952 8.153 2.058 340 HA LYS 40 HA LYS 40 -4.152 9.931 1.740 341 HB2 LYS 40 2HB LYS 40 -3.049 8.406 -0.022 342 HB3 LYS 40 1HB LYS 40 -4.050 7.126 0.652 343 HG2 LYS 40 2HG LYS 40 -6.039 8.188 -0.005 344 HG3 LYS 40 1HG LYS 40 -5.213 9.716 -0.319 345 HD2 LYS 40 2HD LYS 40 -3.867 8.145 -2.016 346 HD3 LYS 40 1HD LYS 40 -5.402 7.275 -1.985 347 HE2 LYS 40 2HE LYS 40 -5.229 10.240 -2.455 348 HE3 LYS 40 1HE LYS 40 -5.131 9.067 -3.768 349 HZ1 LYS 40 1HZ LYS 40 -7.307 8.226 -3.127 350 HZ2 LYS 40 2HZ LYS 40 -7.383 9.878 -3.485 351 HZ3 LYS 40 3HZ LYS 40 -7.401 9.362 -1.875 352 H ILE 41 H ILE 41 -3.630 7.002 3.549 353 HA ILE 41 HA ILE 41 -6.398 6.421 3.997 354 HB ILE 41 HB ILE 41 -4.118 5.524 5.752 355 HG12 ILE 41 2HG1 ILE 41 -5.031 4.378 3.104 356 HG13 ILE 41 1HG1 ILE 41 -3.443 5.036 3.479 357 HG21 ILE 41 1HG2 ILE 41 -5.553 3.561 6.097 358 HG22 ILE 41 2HG2 ILE 41 -6.779 4.287 5.056 359 HG23 ILE 41 3HG2 ILE 41 -6.350 5.058 6.583 360 HD11 ILE 41 1HD1 ILE 41 -2.925 3.204 4.890 361 HD12 ILE 41 2HD1 ILE 41 -3.581 2.544 3.393 362 HD13 ILE 41 3HD1 ILE 41 -4.586 2.616 4.839 363 H GLU 42 H GLU 42 -3.946 8.344 5.581 364 HA GLU 42 HA GLU 42 -5.313 8.727 8.037 365 HB2 GLU 42 2HB GLU 42 -3.344 10.631 6.765 366 HB3 GLU 42 1HB GLU 42 -3.715 10.462 8.475 367 HG2 GLU 42 2HG GLU 42 -2.870 8.016 8.109 368 HG3 GLU 42 1HG GLU 42 -2.063 8.725 6.711 369 H GLU 43 H GLU 43 -5.341 10.372 4.937 370 HA GLU 43 HA GLU 43 -6.884 12.607 5.804 371 HB2 GLU 43 2HB GLU 43 -7.012 13.216 3.506 372 HB3 GLU 43 1HB GLU 43 -5.410 12.539 3.754 373 HG2 GLU 43 2HG GLU 43 -5.751 10.919 2.276 374 HG3 GLU 43 1HG GLU 43 -7.347 10.543 2.915 375 H LEU 44 H LEU 44 -7.592 9.409 4.678 376 HA LEU 44 HA LEU 44 -10.279 9.737 3.938 377 HB2 LEU 44 2HB LEU 44 -8.540 7.456 4.719 378 HB3 LEU 44 1HB LEU 44 -10.272 7.192 4.740 379 HG LEU 44 HG LEU 44 -8.715 8.153 2.339 380 HD11 LEU 44 1HD1 LEU 44 -8.021 5.947 2.646 381 HD12 LEU 44 2HD1 LEU 44 -9.358 5.821 1.503 382 HD13 LEU 44 3HD1 LEU 44 -9.610 5.425 3.203 383 HD21 LEU 44 1HD2 LEU 44 -10.771 8.841 1.742 384 HD22 LEU 44 2HD2 LEU 44 -11.573 7.830 2.944 385 HD23 LEU 44 3HD2 LEU 44 -11.046 7.130 1.414 386 H GLY 45 H GLY 45 -12.155 8.783 5.125 387 HA2 GLY 45 2HA GLY 45 -11.910 9.006 8.043 388 HA3 GLY 45 1HA GLY 45 -13.084 10.016 7.215 389 H GLY 46 H GLY 46 -15.024 9.168 6.610 390 HA2 GLY 46 2HA GLY 46 -15.800 6.700 7.839 391 HA3 GLY 46 1HA GLY 46 -16.820 7.739 6.855 392 H GLY 47 H GLY 47 -17.018 7.354 4.658 393 HA2 GLY 47 2HA GLY 47 -15.570 5.018 3.599 394 HA3 GLY 47 1HA GLY 47 -17.324 5.074 3.501 395 H GLY 48 H GLY 48 -17.544 5.133 1.307 396 HA2 GLY 48 2HA GLY 48 -17.691 6.113 -0.765 397 HA3 GLY 48 1HA GLY 48 -17.300 7.637 0.018 398 H GLU 49 H GLU 49 -15.125 8.296 0.165 399 HA GLU 49 HA GLU 49 -13.540 7.667 -2.070 400 HB2 GLU 49 2HB GLU 49 -13.512 9.805 -0.701 401 HB3 GLU 49 1HB GLU 49 -12.538 8.936 0.478 402 HG2 GLU 49 2HG GLU 49 -10.686 9.160 -0.731 403 HG3 GLU 49 1HG GLU 49 -11.499 8.691 -2.223 404 H VAL 50 H VAL 50 -13.716 6.283 1.106 405 HA VAL 50 HA VAL 50 -11.209 5.131 1.381 406 HB VAL 50 HB VAL 50 -13.808 3.830 2.196 407 HG11 VAL 50 1HG1 VAL 50 -12.359 2.975 4.071 408 HG12 VAL 50 2HG1 VAL 50 -10.969 3.561 3.157 409 HG13 VAL 50 3HG1 VAL 50 -12.008 2.310 2.476 410 HG21 VAL 50 1HG2 VAL 50 -12.217 6.030 3.486 411 HG22 VAL 50 2HG2 VAL 50 -13.338 5.015 4.393 412 HG23 VAL 50 3HG2 VAL 50 -13.931 6.016 3.067 413 H LYS 51 H LYS 51 -13.771 4.311 -0.793 414 HA LYS 51 HA LYS 51 -12.975 1.628 -1.319 415 HB2 LYS 51 2HB LYS 51 -14.520 3.471 -3.148 416 HB3 LYS 51 1HB LYS 51 -14.515 1.712 -3.168 417 HG2 LYS 51 2HG LYS 51 -15.977 1.550 -1.458 418 HG3 LYS 51 1HG LYS 51 -15.346 2.979 -0.638 419 HD2 LYS 51 2HD LYS 51 -17.227 3.979 -1.336 420 HD3 LYS 51 1HD LYS 51 -16.428 4.054 -2.907 421 HE2 LYS 51 2HE LYS 51 -17.499 2.025 -3.612 422 HE3 LYS 51 1HE LYS 51 -18.162 1.762 -2.000 423 HZ1 LYS 51 1HZ LYS 51 -19.894 2.648 -3.295 424 HZ2 LYS 51 2HZ LYS 51 -18.913 3.857 -3.953 425 HZ3 LYS 51 3HZ LYS 51 -19.365 3.930 -2.325 426 H LYS 52 H LYS 52 -12.005 4.747 -2.532 427 HA LYS 52 HA LYS 52 -10.705 3.809 -4.887 428 HB2 LYS 52 2HB LYS 52 -11.359 6.109 -4.797 429 HB3 LYS 52 1HB LYS 52 -10.473 6.367 -3.301 430 HG2 LYS 52 2HG LYS 52 -9.297 7.366 -5.156 431 HG3 LYS 52 1HG LYS 52 -8.365 6.017 -4.505 432 HD2 LYS 52 2HD LYS 52 -9.064 4.591 -6.309 433 HD3 LYS 52 1HD LYS 52 -10.176 5.824 -6.907 434 HE2 LYS 52 2HE LYS 52 -8.054 7.297 -7.092 435 HE3 LYS 52 1HE LYS 52 -7.185 5.765 -7.007 436 HZ1 LYS 52 1HZ LYS 52 -8.974 5.183 -8.868 437 HZ2 LYS 52 2HZ LYS 52 -7.465 5.858 -9.228 438 HZ3 LYS 52 3HZ LYS 52 -8.835 6.847 -9.144 439 H VAL 53 H VAL 53 -9.395 4.980 -1.780 440 HA VAL 53 HA VAL 53 -6.726 4.364 -2.246 441 HB VAL 53 HB VAL 53 -8.100 4.196 0.438 442 HG11 VAL 53 1HG1 VAL 53 -5.845 5.008 1.220 443 HG12 VAL 53 2HG1 VAL 53 -5.248 4.662 -0.403 444 HG13 VAL 53 3HG1 VAL 53 -5.888 3.358 0.599 445 HG21 VAL 53 1HG2 VAL 53 -7.273 6.631 0.571 446 HG22 VAL 53 2HG2 VAL 53 -8.742 6.294 -0.344 447 HG23 VAL 53 3HG2 VAL 53 -7.217 6.553 -1.190 448 H GLU 54 H GLU 54 -9.375 2.277 -1.388 449 HA GLU 54 HA GLU 54 -7.902 0.093 -0.384 450 HB2 GLU 54 2HB GLU 54 -10.483 0.575 -0.413 451 HB3 GLU 54 1HB GLU 54 -10.433 -0.304 -1.935 452 HG2 GLU 54 2HG GLU 54 -9.007 -1.927 -0.240 453 HG3 GLU 54 1HG GLU 54 -10.278 -1.282 0.798 454 H GLU 55 H GLU 55 -8.652 1.168 -3.619 455 HA GLU 55 HA GLU 55 -7.776 -1.260 -4.892 456 HB2 GLU 55 2HB GLU 55 -9.487 0.144 -5.936 457 HB3 GLU 55 1HB GLU 55 -8.350 1.481 -6.034 458 HG2 GLU 55 2HG GLU 55 -8.328 0.615 -8.174 459 HG3 GLU 55 1HG GLU 55 -6.910 -0.126 -7.433 460 H GLU 56 H GLU 56 -6.353 1.751 -3.907 461 HA GLU 56 HA GLU 56 -4.048 1.660 -5.557 462 HB2 GLU 56 2HB GLU 56 -4.828 3.143 -3.078 463 HB3 GLU 56 1HB GLU 56 -3.151 3.176 -3.606 464 HG2 GLU 56 2HG GLU 56 -3.635 4.354 -5.522 465 HG3 GLU 56 1HG GLU 56 -5.316 3.824 -5.550 466 H VAL 57 H VAL 57 -4.892 0.174 -2.523 467 HA VAL 57 HA VAL 57 -2.174 -0.572 -1.879 468 HB VAL 57 HB VAL 57 -4.709 -1.623 -0.619 469 HG11 VAL 57 1HG1 VAL 57 -3.251 -2.028 1.316 470 HG12 VAL 57 2HG1 VAL 57 -1.869 -1.456 0.381 471 HG13 VAL 57 3HG1 VAL 57 -2.721 -2.919 -0.111 472 HG21 VAL 57 1HG2 VAL 57 -4.976 0.246 0.591 473 HG22 VAL 57 2HG2 VAL 57 -4.024 1.017 -0.676 474 HG23 VAL 57 3HG2 VAL 57 -3.241 0.473 0.805 475 H LYS 58 H LYS 58 -4.871 -1.914 -3.574 476 HA LYS 58 HA LYS 58 -4.029 -4.641 -3.451 477 HB2 LYS 58 2HB LYS 58 -6.209 -3.105 -4.642 478 HB3 LYS 58 1HB LYS 58 -5.667 -4.432 -5.664 479 HG2 LYS 58 2HG LYS 58 -5.841 -5.537 -3.120 480 HG3 LYS 58 1HG LYS 58 -7.252 -4.485 -3.252 481 HD2 LYS 58 2HD LYS 58 -8.222 -6.190 -4.328 482 HD3 LYS 58 1HD LYS 58 -7.200 -5.744 -5.696 483 HE2 LYS 58 2HE LYS 58 -5.638 -7.410 -5.228 484 HE3 LYS 58 1HE LYS 58 -6.193 -7.594 -3.565 485 HZ1 LYS 58 1HZ LYS 58 -7.873 -8.299 -5.901 486 HZ2 LYS 58 2HZ LYS 58 -8.120 -8.717 -4.281 487 HZ3 LYS 58 3HZ LYS 58 -6.844 -9.411 -5.147 488 H LYS 59 H LYS 59 -3.358 -1.939 -5.547 489 HA LYS 59 HA LYS 59 -2.325 -3.503 -7.712 490 HB2 LYS 59 2HB LYS 59 -3.258 -1.092 -7.767 491 HB3 LYS 59 1HB LYS 59 -1.654 -0.614 -7.228 492 HG2 LYS 59 2HG LYS 59 -1.929 -2.368 -9.622 493 HG3 LYS 59 1HG LYS 59 -2.245 -0.638 -9.764 494 HD2 LYS 59 2HD LYS 59 -0.066 -0.109 -9.591 495 HD3 LYS 59 1HD LYS 59 0.219 -1.296 -8.317 496 HE2 LYS 59 2HE LYS 59 0.751 -2.956 -9.794 497 HE3 LYS 59 1HE LYS 59 -0.271 -2.296 -11.071 498 HZ1 LYS 59 1HZ LYS 59 2.034 -0.698 -10.286 499 HZ2 LYS 59 2HZ LYS 59 1.372 -0.961 -11.819 500 HZ3 LYS 59 3HZ LYS 59 2.364 -2.135 -11.115 501 H LEU 60 H LEU 60 -0.882 -1.763 -4.980 502 HA LEU 60 HA LEU 60 1.801 -2.284 -5.843 503 HB2 LEU 60 2HB LEU 60 0.990 -0.376 -4.334 504 HB3 LEU 60 1HB LEU 60 1.001 -1.561 -3.041 505 HG LEU 60 HG LEU 60 3.491 -1.505 -4.566 506 HD11 LEU 60 1HD1 LEU 60 3.961 0.667 -2.998 507 HD12 LEU 60 2HD1 LEU 60 2.344 1.001 -3.618 508 HD13 LEU 60 3HD1 LEU 60 3.674 0.704 -4.738 509 HD21 LEU 60 1HD2 LEU 60 4.458 -1.522 -2.334 510 HD22 LEU 60 2HD2 LEU 60 3.189 -2.738 -2.483 511 HD23 LEU 60 3HD2 LEU 60 2.866 -1.227 -1.633 512 H GLU 61 H GLU 61 -0.529 -3.995 -3.939 513 HA GLU 61 HA GLU 61 1.284 -5.644 -2.512 514 HB2 GLU 61 2HB GLU 61 -1.417 -5.198 -2.426 515 HB3 GLU 61 1HB GLU 61 -1.341 -6.794 -3.152 516 HG2 GLU 61 2HG GLU 61 0.401 -7.083 -1.103 517 HG3 GLU 61 1HG GLU 61 -0.742 -5.926 -0.422 518 H GLU 62 H GLU 62 -0.760 -6.278 -5.354 519 HA GLU 62 HA GLU 62 0.308 -8.799 -5.961 520 HB2 GLU 62 2HB GLU 62 -1.774 -7.356 -6.890 521 HB3 GLU 62 1HB GLU 62 -0.635 -7.111 -8.207 522 HG2 GLU 62 2HG GLU 62 -0.484 -9.447 -8.616 523 HG3 GLU 62 1HG GLU 62 -1.376 -9.820 -7.142 524 H GLU 63 H GLU 63 1.435 -5.582 -6.588 525 HA GLU 63 HA GLU 63 3.146 -6.057 -8.748 526 HB2 GLU 63 2HB GLU 63 2.797 -3.964 -6.709 527 HB3 GLU 63 1HB GLU 63 4.425 -4.078 -7.354 528 HG2 GLU 63 2HG GLU 63 2.367 -4.157 -9.412 529 HG3 GLU 63 1HG GLU 63 2.357 -2.673 -8.459 530 H ILE 64 H ILE 64 3.821 -6.097 -5.261 531 HA ILE 64 HA ILE 64 6.533 -6.880 -5.526 532 HB ILE 64 HB ILE 64 4.783 -7.427 -3.133 533 HG12 ILE 64 2HG1 ILE 64 6.193 -4.852 -3.869 534 HG13 ILE 64 1HG1 ILE 64 4.455 -5.088 -3.771 535 HG21 ILE 64 1HG2 ILE 64 7.705 -6.719 -3.242 536 HG22 ILE 64 2HG2 ILE 64 7.107 -8.378 -3.268 537 HG23 ILE 64 3HG2 ILE 64 6.791 -7.348 -1.872 538 HD11 ILE 64 1HD1 ILE 64 4.470 -5.179 -1.458 539 HD12 ILE 64 2HD1 ILE 64 5.664 -3.934 -1.824 540 HD13 ILE 64 3HD1 ILE 64 6.190 -5.559 -1.385 541 H LYS 65 H LYS 65 3.537 -8.582 -5.634 542 HA LYS 65 HA LYS 65 4.237 -11.125 -4.779 543 HB2 LYS 65 2HB LYS 65 2.048 -9.938 -6.072 544 HB3 LYS 65 1HB LYS 65 2.538 -11.266 -7.114 545 HG2 LYS 65 2HG LYS 65 0.867 -12.030 -5.569 546 HG3 LYS 65 1HG LYS 65 2.411 -12.790 -5.178 547 HD2 LYS 65 2HD LYS 65 1.854 -12.147 -3.079 548 HD3 LYS 65 1HD LYS 65 2.574 -10.625 -3.605 549 HE2 LYS 65 2HE LYS 65 0.627 -9.714 -2.968 550 HE3 LYS 65 1HE LYS 65 0.007 -10.361 -4.485 551 HZ1 LYS 65 1HZ LYS 65 -0.235 -11.520 -1.774 552 HZ2 LYS 65 2HZ LYS 65 -0.523 -12.433 -3.167 553 HZ3 LYS 65 3HZ LYS 65 -1.473 -11.075 -2.835 554 H LYS 66 H LYS 66 4.785 -9.589 -7.907 555 HA LYS 66 HA LYS 66 6.062 -12.011 -8.924 556 HB2 LYS 66 2HB LYS 66 5.228 -9.406 -10.173 557 HB3 LYS 66 1HB LYS 66 6.333 -10.492 -11.004 558 HG2 LYS 66 2HG LYS 66 4.617 -12.287 -10.796 559 HG3 LYS 66 1HG LYS 66 3.509 -11.075 -10.151 560 HD2 LYS 66 2HD LYS 66 4.026 -9.750 -12.287 561 HD3 LYS 66 1HD LYS 66 4.694 -11.263 -12.903 562 HE2 LYS 66 2HE LYS 66 2.455 -11.193 -13.648 563 HE3 LYS 66 1HE LYS 66 2.483 -12.332 -12.303 564 HZ1 LYS 66 1HZ LYS 66 1.422 -9.574 -12.350 565 HZ2 LYS 66 2HZ LYS 66 1.800 -10.345 -10.893 566 HZ3 LYS 66 3HZ LYS 66 0.627 -11.003 -11.918 567 H LEU 67 H LEU 67 6.910 -8.551 -8.978 568 HA LEU 67 HA LEU 67 8.878 -7.460 -8.700 569 HB2 LEU 67 2HB LEU 67 8.786 -9.429 -6.689 570 HB3 LEU 67 1HB LEU 67 10.419 -9.463 -7.324 571 HG LEU 67 HG LEU 67 9.584 -6.738 -6.874 572 HD11 LEU 67 1HD1 LEU 67 9.647 -8.403 -4.378 573 HD12 LEU 67 2HD1 LEU 67 8.141 -7.970 -5.182 574 HD13 LEU 67 3HD1 LEU 67 9.201 -6.707 -4.559 575 HD21 LEU 67 1HD2 LEU 67 11.900 -8.205 -6.848 576 HD22 LEU 67 2HD2 LEU 67 11.637 -7.871 -5.137 577 HD23 LEU 67 3HD2 LEU 67 11.733 -6.540 -6.290 578 H6 HTS 101 H6 HTS 68 7.751 3.507 3.611 579 H3 HTS 101 H3 HTS 68 7.875 -0.778 1.177 580 H4 HTS 101 H4 HTS 68 9.975 0.391 1.718 581 H5 HTS 101 H5 HTS 68 9.912 2.528 2.943 582 HO1 HTS 101 HO1 HTS 68 5.197 3.211 2.602 Start of MODEL 32 1 H1 GLY 1 1H GLY 1 -18.203 -3.831 11.418 2 H2 GLY 1 2H GLY 1 -17.700 -2.270 11.004 3 H3 GLY 1 3H GLY 1 -16.775 -3.198 12.073 4 HA2 GLY 1 1HA GLY 1 -16.448 -4.843 10.235 5 HA3 GLY 1 2HA GLY 1 -17.175 -3.648 9.171 6 H SER 2 H SER 2 -14.310 -4.847 10.234 7 HA SER 2 HA SER 2 -12.763 -2.470 10.496 8 HB2 SER 2 2HB SER 2 -11.457 -4.987 9.593 9 HB3 SER 2 1HB SER 2 -10.979 -3.862 10.865 10 HG SER 2 HG SER 2 -12.913 -4.718 12.002 11 H ARG 3 H ARG 3 -13.305 -1.194 8.690 12 HA ARG 3 HA ARG 3 -12.480 -2.217 6.068 13 HB2 ARG 3 2HB ARG 3 -14.444 -0.232 7.002 14 HB3 ARG 3 1HB ARG 3 -13.539 0.253 5.576 15 HG2 ARG 3 2HG ARG 3 -14.188 -1.946 4.546 16 HG3 ARG 3 1HG ARG 3 -15.279 -2.174 5.916 17 HD2 ARG 3 2HD ARG 3 -16.443 -0.110 5.343 18 HD3 ARG 3 1HD ARG 3 -15.337 0.153 3.995 19 HE ARG 3 HE ARG 3 -16.459 -2.338 3.598 20 HH11 ARG 3 1HH1 ARG 3 -17.591 0.954 3.852 21 HH12 ARG 3 2HH1 ARG 3 -18.952 0.697 2.812 22 HH21 ARG 3 1HH2 ARG 3 -18.249 -2.675 2.230 23 HH22 ARG 3 2HH2 ARG 3 -19.326 -1.361 1.891 24 H VAL 4 H VAL 4 -12.250 0.853 7.879 25 HA VAL 4 HA VAL 4 -9.918 1.638 6.363 26 HB VAL 4 HB VAL 4 -11.073 3.034 8.775 27 HG11 VAL 4 1HG1 VAL 4 -8.856 3.785 8.134 28 HG12 VAL 4 2HG1 VAL 4 -10.053 5.024 7.753 29 HG13 VAL 4 3HG1 VAL 4 -9.392 4.011 6.469 30 HG21 VAL 4 1HG2 VAL 4 -12.936 3.169 7.500 31 HG22 VAL 4 2HG2 VAL 4 -12.065 2.846 6.001 32 HG23 VAL 4 3HG2 VAL 4 -12.031 4.461 6.710 33 H LYS 5 H LYS 5 -10.620 0.943 9.789 34 HA LYS 5 HA LYS 5 -8.083 1.283 10.832 35 HB2 LYS 5 2HB LYS 5 -8.788 -0.387 12.575 36 HB3 LYS 5 1HB LYS 5 -9.914 0.938 12.318 37 HG2 LYS 5 2HG LYS 5 -10.982 -0.814 10.630 38 HG3 LYS 5 1HG LYS 5 -10.213 -1.949 11.740 39 HD2 LYS 5 2HD LYS 5 -12.406 -1.612 12.561 40 HD3 LYS 5 1HD LYS 5 -11.341 -0.680 13.614 41 HE2 LYS 5 2HE LYS 5 -13.213 0.698 13.134 42 HE3 LYS 5 1HE LYS 5 -11.860 1.326 12.195 43 HZ1 LYS 5 1HZ LYS 5 -12.913 -0.352 10.438 44 HZ2 LYS 5 2HZ LYS 5 -13.389 1.267 10.559 45 HZ3 LYS 5 3HZ LYS 5 -14.316 0.057 11.292 46 H ALA 6 H ALA 6 -9.357 -1.362 8.954 47 HA ALA 6 HA ALA 6 -7.120 -3.109 9.495 48 HB1 ALA 6 1HB ALA 6 -8.321 -4.285 7.407 49 HB2 ALA 6 2HB ALA 6 -9.654 -3.288 7.987 50 HB3 ALA 6 3HB ALA 6 -8.889 -4.453 9.068 51 H LEU 7 H LEU 7 -7.983 -0.705 7.157 52 HA LEU 7 HA LEU 7 -6.280 -1.511 5.049 53 HB2 LEU 7 2HB LEU 7 -8.199 0.397 5.377 54 HB3 LEU 7 1HB LEU 7 -6.746 1.377 5.379 55 HG LEU 7 HG LEU 7 -7.563 -0.531 3.188 56 HD11 LEU 7 1HD1 LEU 7 -9.009 1.411 3.264 57 HD12 LEU 7 2HD1 LEU 7 -7.926 1.514 1.876 58 HD13 LEU 7 3HD1 LEU 7 -7.607 2.480 3.317 59 HD21 LEU 7 1HD2 LEU 7 -5.354 -0.501 2.775 60 HD22 LEU 7 2HD2 LEU 7 -5.080 0.919 3.784 61 HD23 LEU 7 3HD2 LEU 7 -5.676 1.112 2.136 62 H GLU 8 H GLU 8 -5.732 0.285 7.988 63 HA GLU 8 HA GLU 8 -3.202 1.363 7.171 64 HB2 GLU 8 2HB GLU 8 -4.489 1.145 9.894 65 HB3 GLU 8 1HB GLU 8 -2.995 2.012 9.564 66 HG2 GLU 8 2HG GLU 8 -4.107 3.620 8.243 67 HG3 GLU 8 1HG GLU 8 -5.579 2.654 8.180 68 H GLU 9 H GLU 9 -4.282 -1.486 8.910 69 HA GLU 9 HA GLU 9 -1.659 -2.213 9.814 70 HB2 GLU 9 2HB GLU 9 -2.669 -4.164 10.716 71 HB3 GLU 9 1HB GLU 9 -3.819 -2.855 10.946 72 HG2 GLU 9 2HG GLU 9 -5.377 -3.989 9.869 73 HG3 GLU 9 1HG GLU 9 -4.348 -4.109 8.443 74 H LYS 10 H LYS 10 -3.406 -2.614 6.894 75 HA LYS 10 HA LYS 10 -2.097 -4.997 6.005 76 HB2 LYS 10 2HB LYS 10 -4.206 -3.274 5.094 77 HB3 LYS 10 1HB LYS 10 -3.082 -3.568 3.776 78 HG2 LYS 10 2HG LYS 10 -3.680 -6.006 5.204 79 HG3 LYS 10 1HG LYS 10 -5.148 -5.220 4.619 80 HD2 LYS 10 2HD LYS 10 -2.978 -5.255 2.660 81 HD3 LYS 10 1HD LYS 10 -3.520 -6.863 3.144 82 HE2 LYS 10 2HE LYS 10 -5.112 -6.584 1.595 83 HE3 LYS 10 1HE LYS 10 -5.887 -5.550 2.794 84 HZ1 LYS 10 1HZ LYS 10 -5.604 -4.580 0.507 85 HZ2 LYS 10 2HZ LYS 10 -3.942 -4.511 0.818 86 HZ3 LYS 10 3HZ LYS 10 -5.020 -3.631 1.781 87 H VAL 11 H VAL 11 -1.747 -1.545 5.234 88 HA VAL 11 HA VAL 11 0.434 -1.984 3.440 89 HB VAL 11 HB VAL 11 -0.311 0.629 4.750 90 HG11 VAL 11 1HG1 VAL 11 0.882 0.211 2.026 91 HG12 VAL 11 2HG1 VAL 11 1.882 0.357 3.472 92 HG13 VAL 11 3HG1 VAL 11 0.826 1.686 2.992 93 HG21 VAL 11 1HG2 VAL 11 -2.091 0.896 3.406 94 HG22 VAL 11 2HG2 VAL 11 -2.061 -0.864 3.302 95 HG23 VAL 11 3HG2 VAL 11 -1.305 0.108 2.038 96 H LYS 12 H LYS 12 0.162 -1.353 6.824 97 HA LYS 12 HA LYS 12 2.775 -0.428 7.318 98 HB2 LYS 12 2HB LYS 12 0.652 -0.547 8.870 99 HB3 LYS 12 1HB LYS 12 1.319 -2.109 9.325 100 HG2 LYS 12 2HG LYS 12 3.483 -0.858 9.812 101 HG3 LYS 12 1HG LYS 12 2.516 0.614 9.703 102 HD2 LYS 12 2HD LYS 12 2.537 0.073 11.989 103 HD3 LYS 12 1HD LYS 12 0.965 -0.480 11.407 104 HE2 LYS 12 2HE LYS 12 1.485 -2.421 12.391 105 HE3 LYS 12 1HE LYS 12 2.541 -2.679 11.002 106 HZ1 LYS 12 1HZ LYS 12 4.127 -1.235 12.579 107 HZ2 LYS 12 2HZ LYS 12 4.086 -2.925 12.596 108 HZ3 LYS 12 3HZ LYS 12 3.216 -2.047 13.752 109 H ALA 13 H ALA 13 1.389 -3.634 7.031 110 HA ALA 13 HA ALA 13 3.845 -4.968 7.799 111 HB1 ALA 13 1HB ALA 13 1.135 -5.866 6.910 112 HB2 ALA 13 2HB ALA 13 2.020 -6.260 8.384 113 HB3 ALA 13 3HB ALA 13 2.491 -6.992 6.850 114 H LEU 14 H LEU 14 2.323 -3.754 4.994 115 HA LEU 14 HA LEU 14 3.595 -5.297 3.002 116 HB2 LEU 14 2HB LEU 14 1.528 -3.690 2.982 117 HB3 LEU 14 1HB LEU 14 2.716 -2.465 2.593 118 HG LEU 14 HG LEU 14 2.666 -4.960 0.957 119 HD11 LEU 14 1HD1 LEU 14 0.596 -2.786 0.901 120 HD12 LEU 14 2HD1 LEU 14 0.360 -4.532 0.947 121 HD13 LEU 14 3HD1 LEU 14 0.970 -3.764 -0.519 122 HD21 LEU 14 1HD2 LEU 14 3.525 -3.587 -0.728 123 HD22 LEU 14 2HD2 LEU 14 4.313 -3.011 0.741 124 HD23 LEU 14 3HD2 LEU 14 2.958 -2.115 0.058 125 H GLU 15 H GLU 15 4.597 -2.592 4.918 126 HA GLU 15 HA GLU 15 6.681 -1.685 3.192 127 HB2 GLU 15 2HB GLU 15 5.754 -0.096 4.694 128 HB3 GLU 15 1HB GLU 15 5.987 -1.154 6.078 129 HG2 GLU 15 2HG GLU 15 8.397 -0.874 5.904 130 HG3 GLU 15 1HG GLU 15 8.185 0.144 4.480 131 H GLU 16 H GLU 16 6.672 -3.522 6.252 132 HA GLU 16 HA GLU 16 9.376 -3.923 6.548 133 HB2 GLU 16 2HB GLU 16 8.780 -6.023 7.749 134 HB3 GLU 16 1HB GLU 16 7.845 -4.624 8.259 135 HG2 GLU 16 2HG GLU 16 5.904 -5.393 7.264 136 HG3 GLU 16 1HG GLU 16 6.773 -6.472 6.173 137 H LYS 17 H LYS 17 7.237 -5.376 4.230 138 HA LYS 17 HA LYS 17 8.982 -7.538 3.524 139 HB2 LYS 17 2HB LYS 17 6.411 -7.316 3.185 140 HB3 LYS 17 1HB LYS 17 6.847 -6.453 1.717 141 HG2 LYS 17 2HG LYS 17 8.290 -8.956 1.998 142 HG3 LYS 17 1HG LYS 17 6.539 -9.177 1.985 143 HD2 LYS 17 2HD LYS 17 6.343 -8.537 -0.174 144 HD3 LYS 17 1HD LYS 17 7.607 -7.314 -0.035 145 HE2 LYS 17 2HE LYS 17 8.628 -8.833 -1.421 146 HE3 LYS 17 1HE LYS 17 9.178 -9.401 0.154 147 HZ1 LYS 17 1HZ LYS 17 7.963 -11.274 0.000 148 HZ2 LYS 17 2HZ LYS 17 8.063 -10.981 -1.663 149 HZ3 LYS 17 3HZ LYS 17 6.677 -10.527 -0.806 150 H VAL 18 H VAL 18 8.235 -4.359 2.139 151 HA VAL 18 HA VAL 18 10.023 -4.677 -0.074 152 HB VAL 18 HB VAL 18 8.910 -2.103 0.991 153 HG11 VAL 18 1HG1 VAL 18 9.294 -1.218 -1.175 154 HG12 VAL 18 2HG1 VAL 18 9.665 -2.812 -1.831 155 HG13 VAL 18 3HG1 VAL 18 10.776 -2.046 -0.697 156 HG21 VAL 18 1HG2 VAL 18 7.673 -3.933 -1.061 157 HG22 VAL 18 2HG2 VAL 18 7.026 -2.392 -0.497 158 HG23 VAL 18 3HG2 VAL 18 7.120 -3.765 0.605 159 H LYS 19 H LYS 19 10.131 -2.799 2.946 160 HA LYS 19 HA LYS 19 12.514 -1.485 2.621 161 HB2 LYS 19 2HB LYS 19 11.141 -2.598 5.041 162 HB3 LYS 19 1HB LYS 19 12.718 -1.837 5.199 163 HG2 LYS 19 2HG LYS 19 11.188 -0.079 3.655 164 HG3 LYS 19 1HG LYS 19 10.126 -0.634 4.947 165 HD2 LYS 19 2HD LYS 19 11.104 0.941 6.201 166 HD3 LYS 19 1HD LYS 19 12.480 -0.158 6.275 167 HE2 LYS 19 2HE LYS 19 13.703 1.431 5.313 168 HE3 LYS 19 1HE LYS 19 12.753 1.192 3.847 169 HZ1 LYS 19 1HZ LYS 19 12.905 3.532 4.865 170 HZ2 LYS 19 2HZ LYS 19 11.771 2.967 5.986 171 HZ3 LYS 19 3HZ LYS 19 11.396 2.979 4.337 172 H ALA 20 H ALA 20 12.010 -4.865 3.366 173 HA ALA 20 HA ALA 20 14.847 -5.299 3.870 174 HB1 ALA 20 1HB ALA 20 12.874 -7.528 3.697 175 HB2 ALA 20 2HB ALA 20 12.821 -6.431 5.076 176 HB3 ALA 20 3HB ALA 20 14.287 -7.352 4.737 177 H LEU 21 H LEU 21 12.781 -5.225 1.213 178 HA LEU 21 HA LEU 21 13.895 -7.329 -0.341 179 HB2 LEU 21 2HB LEU 21 11.716 -5.666 -0.540 180 HB3 LEU 21 1HB LEU 21 12.765 -5.057 -1.804 181 HG LEU 21 HG LEU 21 11.857 -7.923 -1.546 182 HD11 LEU 21 1HD1 LEU 21 10.289 -5.850 -2.282 183 HD12 LEU 21 2HD1 LEU 21 10.115 -7.495 -2.894 184 HD13 LEU 21 3HD1 LEU 21 11.001 -6.293 -3.834 185 HD21 LEU 21 1HD2 LEU 21 13.072 -8.428 -3.407 186 HD22 LEU 21 2HD2 LEU 21 14.113 -7.183 -2.716 187 HD23 LEU 21 3HD2 LEU 21 13.009 -6.780 -4.032 188 H GLY 22 H GLY 22 14.082 -3.819 -0.964 189 HA2 GLY 22 2HA GLY 22 16.776 -3.414 -0.943 190 HA3 GLY 22 1HA GLY 22 16.485 -4.156 -2.509 191 H GLY 23 H GLY 23 15.936 -2.868 -4.155 192 HA2 GLY 23 2HA GLY 23 14.222 -0.784 -4.293 193 HA3 GLY 23 1HA GLY 23 15.677 -0.030 -3.659 194 H GLY 24 H GLY 24 14.016 -0.439 -6.396 195 HA2 GLY 24 2HA GLY 24 15.428 0.658 -8.264 196 HA3 GLY 24 1HA GLY 24 16.381 -0.809 -8.106 197 H GLY 25 H GLY 25 14.526 0.448 -10.235 198 HA2 GLY 25 2HA GLY 25 13.147 -0.342 -11.890 199 HA3 GLY 25 1HA GLY 25 13.713 -1.943 -11.440 200 H ARG 26 H ARG 26 12.282 -3.317 -10.597 201 HA ARG 26 HA ARG 26 9.554 -2.741 -10.476 202 HB2 ARG 26 2HB ARG 26 11.076 -5.018 -10.358 203 HB3 ARG 26 1HB ARG 26 10.435 -4.930 -8.725 204 HG2 ARG 26 2HG ARG 26 8.874 -5.046 -11.293 205 HG3 ARG 26 1HG ARG 26 8.979 -6.282 -10.040 206 HD2 ARG 26 2HD ARG 26 7.404 -5.309 -8.789 207 HD3 ARG 26 1HD ARG 26 8.066 -3.697 -9.039 208 HE ARG 26 HE ARG 26 6.133 -5.069 -10.772 209 HH11 ARG 26 1HH1 ARG 26 7.837 -2.147 -9.874 210 HH12 ARG 26 2HH1 ARG 26 6.868 -1.134 -10.887 211 HH21 ARG 26 1HH2 ARG 26 4.869 -3.726 -12.096 212 HH22 ARG 26 2HH2 ARG 26 5.187 -2.023 -12.141 213 H ILE 27 H ILE 27 11.852 -3.214 -7.802 214 HA ILE 27 HA ILE 27 10.072 -2.665 -5.721 215 HB ILE 27 HB ILE 27 13.044 -2.135 -5.711 216 HG12 ILE 27 2HG1 ILE 27 11.827 -4.644 -4.640 217 HG13 ILE 27 1HG1 ILE 27 12.060 -4.503 -6.378 218 HG21 ILE 27 1HG2 ILE 27 12.912 -2.390 -3.329 219 HG22 ILE 27 2HG2 ILE 27 11.200 -2.802 -3.423 220 HG23 ILE 27 3HG2 ILE 27 11.739 -1.172 -3.830 221 HD11 ILE 27 1HD1 ILE 27 14.073 -5.361 -5.943 222 HD12 ILE 27 2HD1 ILE 27 14.013 -4.903 -4.241 223 HD13 ILE 27 3HD1 ILE 27 14.483 -3.716 -5.458 224 H GLU 28 H GLU 28 11.860 -0.518 -7.813 225 HA GLU 28 HA GLU 28 11.816 1.812 -6.278 226 HB2 GLU 28 2HB GLU 28 13.016 1.371 -8.490 227 HB3 GLU 28 1HB GLU 28 11.495 1.778 -9.271 228 HG2 GLU 28 2HG GLU 28 11.584 3.994 -8.564 229 HG3 GLU 28 1HG GLU 28 12.775 3.643 -7.313 230 H GLU 29 H GLU 29 9.501 0.850 -8.832 231 HA GLU 29 HA GLU 29 7.732 2.982 -8.487 232 HB2 GLU 29 2HB GLU 29 7.609 1.563 -10.441 233 HB3 GLU 29 1HB GLU 29 7.217 0.164 -9.451 234 HG2 GLU 29 2HG GLU 29 5.267 1.082 -10.630 235 HG3 GLU 29 1HG GLU 29 5.076 1.103 -8.877 236 H LEU 30 H LEU 30 7.932 -0.111 -6.838 237 HA LEU 30 HA LEU 30 5.465 0.039 -5.479 238 HB2 LEU 30 2HB LEU 30 8.009 -1.458 -4.891 239 HB3 LEU 30 1HB LEU 30 6.555 -1.634 -3.926 240 HG LEU 30 HG LEU 30 6.282 -2.050 -6.851 241 HD11 LEU 30 1HD1 LEU 30 8.094 -3.412 -6.825 242 HD12 LEU 30 2HD1 LEU 30 6.914 -4.544 -6.164 243 HD13 LEU 30 3HD1 LEU 30 8.008 -3.679 -5.085 244 HD21 LEU 30 1HD2 LEU 30 4.284 -2.490 -5.902 245 HD22 LEU 30 2HD2 LEU 30 4.990 -2.879 -4.333 246 HD23 LEU 30 3HD2 LEU 30 5.011 -4.073 -5.631 247 H LYS 31 H LYS 31 8.493 1.590 -4.926 248 HA LYS 31 HA LYS 31 8.100 2.054 -2.123 249 HB2 LYS 31 2HB LYS 31 10.341 1.914 -3.115 250 HB3 LYS 31 1HB LYS 31 10.012 3.354 -4.068 251 HG2 LYS 31 2HG LYS 31 10.421 4.733 -2.355 252 HG3 LYS 31 1HG LYS 31 9.598 3.692 -1.192 253 HD2 LYS 31 2HD LYS 31 11.498 2.411 -0.803 254 HD3 LYS 31 1HD LYS 31 12.250 2.889 -2.326 255 HE2 LYS 31 2HE LYS 31 11.700 5.005 -0.313 256 HE3 LYS 31 1HE LYS 31 13.029 3.889 0.002 257 HZ1 LYS 31 1HZ LYS 31 13.799 4.463 -2.325 258 HZ2 LYS 31 2HZ LYS 31 13.973 5.671 -1.154 259 HZ3 LYS 31 3HZ LYS 31 12.706 5.754 -2.271 260 H LYS 32 H LYS 32 8.200 4.298 -4.904 261 HA LYS 32 HA LYS 32 7.397 6.578 -3.584 262 HB2 LYS 32 2HB LYS 32 7.878 5.849 -6.227 263 HB3 LYS 32 1HB LYS 32 6.221 6.439 -6.237 264 HG2 LYS 32 2HG LYS 32 6.829 8.572 -5.669 265 HG3 LYS 32 1HG LYS 32 8.304 8.051 -4.853 266 HD2 LYS 32 2HD LYS 32 8.787 7.266 -7.418 267 HD3 LYS 32 1HD LYS 32 7.843 8.736 -7.669 268 HE2 LYS 32 2HE LYS 32 10.199 8.621 -5.805 269 HE3 LYS 32 1HE LYS 32 10.365 9.005 -7.518 270 HZ1 LYS 32 1HZ LYS 32 9.280 10.607 -5.354 271 HZ2 LYS 32 2HZ LYS 32 8.431 10.691 -6.814 272 HZ3 LYS 32 3HZ LYS 32 10.074 11.091 -6.768 273 H LYS 33 H LYS 33 5.386 4.001 -4.887 274 HA LYS 33 HA LYS 33 2.932 5.400 -4.324 275 HB2 LYS 33 2HB LYS 33 3.114 3.880 -6.242 276 HB3 LYS 33 1HB LYS 33 3.392 2.533 -5.151 277 HG2 LYS 33 2HG LYS 33 1.193 2.603 -4.329 278 HG3 LYS 33 1HG LYS 33 0.902 4.201 -5.020 279 HD2 LYS 33 2HD LYS 33 -0.227 2.550 -6.361 280 HD3 LYS 33 1HD LYS 33 1.127 3.208 -7.283 281 HE2 LYS 33 2HE LYS 33 1.838 0.868 -5.693 282 HE3 LYS 33 1HE LYS 33 0.586 0.541 -6.890 283 HZ1 LYS 33 1HZ LYS 33 3.385 1.226 -7.274 284 HZ2 LYS 33 2HZ LYS 33 2.298 1.933 -8.360 285 HZ3 LYS 33 3HZ LYS 33 2.369 0.250 -8.211 286 H CYS 34 H CYS 34 4.977 3.165 -2.644 287 HA CYS 34 HA CYS 34 3.087 2.015 -0.904 288 HB2 CYS 34 2HB CYS 34 5.881 1.902 -1.300 289 HB3 CYS 34 1HB CYS 34 5.641 2.308 0.389 290 H GLU 35 H GLU 35 5.400 4.659 -0.196 291 HA GLU 35 HA GLU 35 4.266 5.238 2.325 292 HB2 GLU 35 2HB GLU 35 5.654 7.335 2.169 293 HB3 GLU 35 1HB GLU 35 6.536 5.824 1.996 294 HG2 GLU 35 2HG GLU 35 7.309 6.441 0.025 295 HG3 GLU 35 1HG GLU 35 5.673 6.718 -0.568 296 H GLU 36 H GLU 36 3.862 6.697 -0.865 297 HA GLU 36 HA GLU 36 2.343 8.914 -0.094 298 HB2 GLU 36 2HB GLU 36 3.369 8.331 -2.392 299 HB3 GLU 36 1HB GLU 36 1.880 7.438 -2.673 300 HG2 GLU 36 2HG GLU 36 0.581 9.353 -2.688 301 HG3 GLU 36 1HG GLU 36 1.786 10.298 -1.814 302 H LEU 37 H LEU 37 1.524 5.578 -0.438 303 HA LEU 37 HA LEU 37 -1.308 5.918 -0.561 304 HB2 LEU 37 2HB LEU 37 -0.371 3.954 -1.522 305 HB3 LEU 37 1HB LEU 37 0.489 3.562 -0.050 306 HG LEU 37 HG LEU 37 -1.468 2.825 1.037 307 HD11 LEU 37 1HD1 LEU 37 -3.619 3.062 -0.664 308 HD12 LEU 37 2HD1 LEU 37 -2.796 4.611 -0.841 309 HD13 LEU 37 3HD1 LEU 37 -3.306 4.060 0.755 310 HD21 LEU 37 1HD2 LEU 37 -0.570 1.648 -1.269 311 HD22 LEU 37 2HD2 LEU 37 -2.310 1.745 -1.538 312 HD23 LEU 37 3HD2 LEU 37 -1.682 0.922 -0.110 313 H LYS 38 H LYS 38 1.013 5.199 2.010 314 HA LYS 38 HA LYS 38 -0.843 4.613 4.033 315 HB2 LYS 38 2HB LYS 38 2.015 5.123 3.839 316 HB3 LYS 38 1HB LYS 38 1.333 5.744 5.335 317 HG2 LYS 38 2HG LYS 38 0.883 3.684 6.150 318 HG3 LYS 38 1HG LYS 38 0.546 3.006 4.556 319 HD2 LYS 38 2HD LYS 38 2.529 1.964 4.998 320 HD3 LYS 38 1HD LYS 38 3.138 3.431 4.230 321 HE2 LYS 38 2HE LYS 38 4.049 4.203 6.138 322 HE3 LYS 38 1HE LYS 38 2.699 3.643 7.126 323 HZ1 LYS 38 1HZ LYS 38 3.611 1.520 7.294 324 HZ2 LYS 38 2HZ LYS 38 4.946 2.542 7.473 325 HZ3 LYS 38 3HZ LYS 38 4.676 1.756 6.000 326 H LYS 39 H LYS 39 0.402 7.671 2.854 327 HA LYS 39 HA LYS 39 -0.673 9.200 5.035 328 HB2 LYS 39 2HB LYS 39 0.016 11.157 3.722 329 HB3 LYS 39 1HB LYS 39 1.316 9.981 3.860 330 HG2 LYS 39 2HG LYS 39 0.688 9.144 1.596 331 HG3 LYS 39 1HG LYS 39 -0.428 10.505 1.468 332 HD2 LYS 39 2HD LYS 39 2.547 10.721 1.931 333 HD3 LYS 39 1HD LYS 39 1.736 10.960 0.382 334 HE2 LYS 39 2HE LYS 39 0.352 12.620 2.102 335 HE3 LYS 39 1HE LYS 39 2.025 12.773 2.639 336 HZ1 LYS 39 1HZ LYS 39 1.017 14.221 0.681 337 HZ2 LYS 39 2HZ LYS 39 1.551 12.902 -0.233 338 HZ3 LYS 39 3HZ LYS 39 2.646 13.766 0.724 339 H LYS 40 H LYS 40 -1.729 8.212 1.860 340 HA LYS 40 HA LYS 40 -3.822 10.063 1.516 341 HB2 LYS 40 2HB LYS 40 -2.909 8.603 -0.279 342 HB3 LYS 40 1HB LYS 40 -3.675 7.221 0.490 343 HG2 LYS 40 2HG LYS 40 -5.688 7.715 -0.348 344 HG3 LYS 40 1HG LYS 40 -5.498 9.443 -0.044 345 HD2 LYS 40 2HD LYS 40 -3.787 9.275 -2.034 346 HD3 LYS 40 1HD LYS 40 -4.724 7.833 -2.432 347 HE2 LYS 40 2HE LYS 40 -5.920 10.564 -1.989 348 HE3 LYS 40 1HE LYS 40 -5.496 9.915 -3.572 349 HZ1 LYS 40 1HZ LYS 40 -7.152 8.326 -3.457 350 HZ2 LYS 40 2HZ LYS 40 -7.894 9.666 -2.739 351 HZ3 LYS 40 3HZ LYS 40 -7.288 8.417 -1.773 352 H ILE 41 H ILE 41 -3.540 7.204 3.462 353 HA ILE 41 HA ILE 41 -6.346 6.778 3.828 354 HB ILE 41 HB ILE 41 -4.174 5.888 5.720 355 HG12 ILE 41 2HG1 ILE 41 -5.061 4.631 3.116 356 HG13 ILE 41 1HG1 ILE 41 -3.452 5.221 3.515 357 HG21 ILE 41 1HG2 ILE 41 -5.838 4.868 6.770 358 HG22 ILE 41 2HG2 ILE 41 -6.213 3.961 5.305 359 HG23 ILE 41 3HG2 ILE 41 -6.988 5.517 5.603 360 HD11 ILE 41 1HD1 ILE 41 -3.094 3.449 5.049 361 HD12 ILE 41 2HD1 ILE 41 -3.727 2.740 3.563 362 HD13 ILE 41 3HD1 ILE 41 -4.783 2.950 4.961 363 H GLU 42 H GLU 42 -3.899 8.732 5.362 364 HA GLU 42 HA GLU 42 -5.348 9.306 7.741 365 HB2 GLU 42 2HB GLU 42 -3.045 10.672 6.354 366 HB3 GLU 42 1HB GLU 42 -3.743 11.293 7.844 367 HG2 GLU 42 2HG GLU 42 -3.173 9.255 9.005 368 HG3 GLU 42 1HG GLU 42 -2.567 8.542 7.509 369 H GLU 43 H GLU 43 -5.172 10.750 4.549 370 HA GLU 43 HA GLU 43 -6.647 13.101 5.206 371 HB2 GLU 43 2HB GLU 43 -6.669 13.554 2.863 372 HB3 GLU 43 1HB GLU 43 -5.099 12.862 3.238 373 HG2 GLU 43 2HG GLU 43 -5.435 11.068 1.947 374 HG3 GLU 43 1HG GLU 43 -7.130 10.920 2.397 375 H LEU 44 H LEU 44 -7.451 9.867 4.269 376 HA LEU 44 HA LEU 44 -10.048 10.189 3.323 377 HB2 LEU 44 2HB LEU 44 -8.422 8.009 4.425 378 HB3 LEU 44 1HB LEU 44 -10.146 7.794 4.652 379 HG LEU 44 HG LEU 44 -8.874 8.339 1.973 380 HD11 LEU 44 1HD1 LEU 44 -8.015 6.245 2.699 381 HD12 LEU 44 2HD1 LEU 44 -9.325 5.907 1.568 382 HD13 LEU 44 3HD1 LEU 44 -9.592 5.736 3.303 383 HD21 LEU 44 1HD2 LEU 44 -11.588 7.209 2.623 384 HD22 LEU 44 2HD2 LEU 44 -10.979 7.728 1.052 385 HD23 LEU 44 3HD2 LEU 44 -11.293 8.921 2.313 386 H GLY 45 H GLY 45 -11.889 8.942 4.735 387 HA2 GLY 45 2HA GLY 45 -11.930 10.063 7.442 388 HA3 GLY 45 1HA GLY 45 -13.191 10.562 6.325 389 H GLY 46 H GLY 46 -15.029 9.564 6.799 390 HA2 GLY 46 2HA GLY 46 -15.155 7.123 8.249 391 HA3 GLY 46 1HA GLY 46 -16.507 7.938 7.479 392 H GLY 47 H GLY 47 -17.049 7.427 5.327 393 HA2 GLY 47 2HA GLY 47 -15.610 5.177 4.113 394 HA3 GLY 47 1HA GLY 47 -17.322 4.982 4.456 395 H GLY 48 H GLY 48 -17.289 4.571 2.066 396 HA2 GLY 48 2HA GLY 48 -18.344 5.417 0.147 397 HA3 GLY 48 1HA GLY 48 -18.024 7.048 0.716 398 H GLU 49 H GLU 49 -15.522 7.471 0.883 399 HA GLU 49 HA GLU 49 -14.466 6.884 -1.776 400 HB2 GLU 49 2HB GLU 49 -14.560 9.232 -1.074 401 HB3 GLU 49 1HB GLU 49 -13.542 8.866 0.312 402 HG2 GLU 49 2HG GLU 49 -11.672 8.967 -0.893 403 HG3 GLU 49 1HG GLU 49 -12.369 8.039 -2.220 404 H VAL 50 H VAL 50 -13.944 6.121 1.547 405 HA VAL 50 HA VAL 50 -11.251 5.488 1.625 406 HB VAL 50 HB VAL 50 -12.731 5.459 3.595 407 HG11 VAL 50 1HG1 VAL 50 -14.598 4.244 2.434 408 HG12 VAL 50 2HG1 VAL 50 -14.224 3.673 4.060 409 HG13 VAL 50 3HG1 VAL 50 -13.672 2.760 2.655 410 HG21 VAL 50 1HG2 VAL 50 -10.534 3.889 3.109 411 HG22 VAL 50 2HG2 VAL 50 -11.702 2.733 3.749 412 HG23 VAL 50 3HG2 VAL 50 -11.273 4.162 4.688 413 H LYS 51 H LYS 51 -13.895 3.755 0.156 414 HA LYS 51 HA LYS 51 -12.693 1.232 -0.116 415 HB2 LYS 51 2HB LYS 51 -15.132 2.285 -0.735 416 HB3 LYS 51 1HB LYS 51 -14.434 2.083 -2.335 417 HG2 LYS 51 2HG LYS 51 -14.818 -0.095 -2.293 418 HG3 LYS 51 1HG LYS 51 -13.968 -0.268 -0.756 419 HD2 LYS 51 2HD LYS 51 -16.214 -1.040 -0.453 420 HD3 LYS 51 1HD LYS 51 -16.048 0.499 0.393 421 HE2 LYS 51 2HE LYS 51 -17.285 1.653 -1.215 422 HE3 LYS 51 1HE LYS 51 -17.071 0.385 -2.421 423 HZ1 LYS 51 1HZ LYS 51 -18.378 -0.972 -0.573 424 HZ2 LYS 51 2HZ LYS 51 -19.170 -0.097 -1.786 425 HZ3 LYS 51 3HZ LYS 51 -18.994 0.570 -0.241 426 H LYS 52 H LYS 52 -12.414 4.171 -2.008 427 HA LYS 52 HA LYS 52 -11.210 3.094 -4.305 428 HB2 LYS 52 2HB LYS 52 -12.043 5.336 -4.364 429 HB3 LYS 52 1HB LYS 52 -11.016 5.821 -3.024 430 HG2 LYS 52 2HG LYS 52 -10.110 6.707 -5.050 431 HG3 LYS 52 1HG LYS 52 -9.037 5.435 -4.463 432 HD2 LYS 52 2HD LYS 52 -11.176 4.690 -6.390 433 HD3 LYS 52 1HD LYS 52 -9.776 5.573 -7.001 434 HE2 LYS 52 2HE LYS 52 -8.457 3.765 -5.613 435 HE3 LYS 52 1HE LYS 52 -9.942 2.841 -5.828 436 HZ1 LYS 52 1HZ LYS 52 -8.776 2.235 -7.679 437 HZ2 LYS 52 2HZ LYS 52 -8.002 3.730 -7.839 438 HZ3 LYS 52 3HZ LYS 52 -9.621 3.563 -8.299 439 H VAL 53 H VAL 53 -9.650 4.692 -1.516 440 HA VAL 53 HA VAL 53 -7.013 4.217 -2.247 441 HB VAL 53 HB VAL 53 -8.069 4.259 0.584 442 HG11 VAL 53 1HG1 VAL 53 -5.708 3.502 0.239 443 HG12 VAL 53 2HG1 VAL 53 -5.877 4.955 1.226 444 HG13 VAL 53 3HG1 VAL 53 -5.364 5.086 -0.456 445 HG21 VAL 53 1HG2 VAL 53 -8.902 6.227 -0.369 446 HG22 VAL 53 2HG2 VAL 53 -7.458 6.470 -1.353 447 HG23 VAL 53 3HG2 VAL 53 -7.390 6.724 0.391 448 H GLU 54 H GLU 54 -9.375 2.041 -0.929 449 HA GLU 54 HA GLU 54 -7.642 0.078 0.115 450 HB2 GLU 54 2HB GLU 54 -10.323 0.405 0.117 451 HB3 GLU 54 1HB GLU 54 -10.174 -0.824 -1.131 452 HG2 GLU 54 2HG GLU 54 -9.336 -2.400 0.330 453 HG3 GLU 54 1HG GLU 54 -8.791 -1.186 1.487 454 H GLU 55 H GLU 55 -8.836 0.749 -3.104 455 HA GLU 55 HA GLU 55 -7.852 -1.682 -4.265 456 HB2 GLU 55 2HB GLU 55 -9.748 -0.510 -5.261 457 HB3 GLU 55 1HB GLU 55 -8.751 0.913 -5.536 458 HG2 GLU 55 2HG GLU 55 -7.783 0.046 -7.372 459 HG3 GLU 55 1HG GLU 55 -7.750 -1.590 -6.717 460 H GLU 56 H GLU 56 -6.606 1.498 -3.647 461 HA GLU 56 HA GLU 56 -4.440 1.465 -5.468 462 HB2 GLU 56 2HB GLU 56 -4.891 2.975 -2.892 463 HB3 GLU 56 1HB GLU 56 -3.506 3.245 -3.940 464 HG2 GLU 56 2HG GLU 56 -5.901 3.361 -5.491 465 HG3 GLU 56 1HG GLU 56 -6.057 4.416 -4.087 466 H VAL 57 H VAL 57 -4.934 0.115 -2.303 467 HA VAL 57 HA VAL 57 -2.137 -0.412 -1.818 468 HB VAL 57 HB VAL 57 -4.429 -1.686 -0.339 469 HG11 VAL 57 1HG1 VAL 57 -2.326 -2.604 0.251 470 HG12 VAL 57 2HG1 VAL 57 -2.776 -1.499 1.550 471 HG13 VAL 57 3HG1 VAL 57 -1.580 -1.010 0.351 472 HG21 VAL 57 1HG2 VAL 57 -3.524 0.592 1.077 473 HG22 VAL 57 2HG2 VAL 57 -5.130 0.279 0.420 474 HG23 VAL 57 3HG2 VAL 57 -3.924 1.111 -0.559 475 H LYS 58 H LYS 58 -4.829 -2.014 -3.275 476 HA LYS 58 HA LYS 58 -3.803 -4.669 -3.098 477 HB2 LYS 58 2HB LYS 58 -6.137 -3.334 -4.209 478 HB3 LYS 58 1HB LYS 58 -5.546 -4.616 -5.259 479 HG2 LYS 58 2HG LYS 58 -5.517 -5.688 -2.675 480 HG3 LYS 58 1HG LYS 58 -7.036 -4.799 -2.811 481 HD2 LYS 58 2HD LYS 58 -7.828 -6.143 -4.496 482 HD3 LYS 58 1HD LYS 58 -6.212 -6.573 -5.059 483 HE2 LYS 58 2HE LYS 58 -5.894 -7.998 -3.114 484 HE3 LYS 58 1HE LYS 58 -7.477 -7.531 -2.494 485 HZ1 LYS 58 1HZ LYS 58 -8.537 -8.879 -3.933 486 HZ2 LYS 58 2HZ LYS 58 -7.066 -9.714 -3.939 487 HZ3 LYS 58 3HZ LYS 58 -7.427 -8.629 -5.186 488 H LYS 59 H LYS 59 -3.394 -2.017 -5.320 489 HA LYS 59 HA LYS 59 -2.366 -3.586 -7.478 490 HB2 LYS 59 2HB LYS 59 -3.403 -1.301 -7.701 491 HB3 LYS 59 1HB LYS 59 -1.936 -0.637 -6.999 492 HG2 LYS 59 2HG LYS 59 -1.630 -2.424 -9.341 493 HG3 LYS 59 1HG LYS 59 -2.314 -0.821 -9.618 494 HD2 LYS 59 2HD LYS 59 -0.370 0.220 -8.612 495 HD3 LYS 59 1HD LYS 59 0.298 -1.360 -8.199 496 HE2 LYS 59 2HE LYS 59 0.776 -1.873 -10.417 497 HE3 LYS 59 1HE LYS 59 -0.358 -0.675 -11.040 498 HZ1 LYS 59 1HZ LYS 59 1.561 0.446 -11.373 499 HZ2 LYS 59 2HZ LYS 59 2.388 -0.332 -10.121 500 HZ3 LYS 59 3HZ LYS 59 1.309 0.922 -9.769 501 H LEU 60 H LEU 60 -0.897 -1.777 -4.812 502 HA LEU 60 HA LEU 60 1.771 -2.175 -5.785 503 HB2 LEU 60 2HB LEU 60 1.012 -0.275 -4.297 504 HB3 LEU 60 1HB LEU 60 0.979 -1.426 -2.975 505 HG LEU 60 HG LEU 60 3.505 -1.429 -4.445 506 HD11 LEU 60 1HD1 LEU 60 3.860 0.744 -4.574 507 HD12 LEU 60 2HD1 LEU 60 3.823 0.799 -2.812 508 HD13 LEU 60 3HD1 LEU 60 2.352 1.105 -3.734 509 HD21 LEU 60 1HD2 LEU 60 4.428 -1.506 -2.237 510 HD22 LEU 60 2HD2 LEU 60 3.047 -2.599 -2.311 511 HD23 LEU 60 3HD2 LEU 60 2.886 -1.026 -1.529 512 H GLU 61 H GLU 61 -0.395 -3.980 -3.759 513 HA GLU 61 HA GLU 61 1.551 -5.548 -2.422 514 HB2 GLU 61 2HB GLU 61 -1.155 -5.231 -2.211 515 HB3 GLU 61 1HB GLU 61 -1.050 -6.813 -2.965 516 HG2 GLU 61 2HG GLU 61 0.775 -7.118 -1.026 517 HG3 GLU 61 1HG GLU 61 -0.295 -5.946 -0.258 518 H GLU 62 H GLU 62 -0.578 -6.291 -5.173 519 HA GLU 62 HA GLU 62 0.595 -8.755 -5.829 520 HB2 GLU 62 2HB GLU 62 -1.606 -7.429 -6.658 521 HB3 GLU 62 1HB GLU 62 -0.545 -7.122 -8.026 522 HG2 GLU 62 2HG GLU 62 -0.233 -9.494 -8.361 523 HG3 GLU 62 1HG GLU 62 -1.194 -9.846 -6.925 524 H GLU 63 H GLU 63 1.497 -5.483 -6.493 525 HA GLU 63 HA GLU 63 3.135 -5.847 -8.731 526 HB2 GLU 63 2HB GLU 63 2.932 -3.805 -6.562 527 HB3 GLU 63 1HB GLU 63 4.328 -3.757 -7.626 528 HG2 GLU 63 2HG GLU 63 1.732 -3.997 -8.975 529 HG3 GLU 63 1HG GLU 63 1.995 -2.490 -8.100 530 H ILE 64 H ILE 64 3.888 -5.990 -5.269 531 HA ILE 64 HA ILE 64 6.662 -6.479 -5.602 532 HB ILE 64 HB ILE 64 4.998 -7.328 -3.235 533 HG12 ILE 64 2HG1 ILE 64 6.176 -4.609 -3.843 534 HG13 ILE 64 1HG1 ILE 64 4.468 -4.998 -3.722 535 HG21 ILE 64 1HG2 ILE 64 7.008 -7.160 -1.985 536 HG22 ILE 64 2HG2 ILE 64 7.852 -6.378 -3.322 537 HG23 ILE 64 3HG2 ILE 64 7.391 -8.076 -3.443 538 HD11 ILE 64 1HD1 ILE 64 4.527 -5.166 -1.427 539 HD12 ILE 64 2HD1 ILE 64 5.668 -3.857 -1.737 540 HD13 ILE 64 3HD1 ILE 64 6.262 -5.480 -1.391 541 H LYS 65 H LYS 65 3.848 -8.480 -5.771 542 HA LYS 65 HA LYS 65 4.983 -10.974 -5.146 543 HB2 LYS 65 2HB LYS 65 2.513 -9.993 -6.323 544 HB3 LYS 65 1HB LYS 65 3.037 -11.498 -7.067 545 HG2 LYS 65 2HG LYS 65 1.911 -12.439 -5.376 546 HG3 LYS 65 1HG LYS 65 3.375 -12.091 -4.452 547 HD2 LYS 65 2HD LYS 65 1.970 -9.727 -4.308 548 HD3 LYS 65 1HD LYS 65 0.700 -10.948 -4.228 549 HE2 LYS 65 2HE LYS 65 1.394 -11.733 -2.217 550 HE3 LYS 65 1HE LYS 65 3.095 -11.420 -2.562 551 HZ1 LYS 65 1HZ LYS 65 2.532 -9.905 -0.903 552 HZ2 LYS 65 2HZ LYS 65 1.039 -9.527 -1.601 553 HZ3 LYS 65 3HZ LYS 65 2.470 -8.982 -2.319 554 H LYS 66 H LYS 66 4.946 -9.089 -8.105 555 HA LYS 66 HA LYS 66 5.822 -11.103 -9.868 556 HB2 LYS 66 2HB LYS 66 6.049 -8.099 -9.924 557 HB3 LYS 66 1HB LYS 66 6.691 -9.104 -11.217 558 HG2 LYS 66 2HG LYS 66 4.156 -10.069 -10.975 559 HG3 LYS 66 1HG LYS 66 3.932 -8.360 -10.601 560 HD2 LYS 66 2HD LYS 66 3.826 -8.093 -12.827 561 HD3 LYS 66 1HD LYS 66 5.583 -8.246 -12.772 562 HE2 LYS 66 2HE LYS 66 3.613 -10.480 -13.252 563 HE3 LYS 66 1HE LYS 66 4.631 -9.713 -14.469 564 HZ1 LYS 66 1HZ LYS 66 6.540 -10.659 -13.580 565 HZ2 LYS 66 2HZ LYS 66 5.407 -11.910 -13.462 566 HZ3 LYS 66 3HZ LYS 66 5.813 -11.004 -12.092 567 H LEU 67 H LEU 67 7.740 -8.423 -8.497 568 HA LEU 67 HA LEU 67 10.233 -9.452 -9.214 569 HB2 LEU 67 2HB LEU 67 11.095 -7.907 -7.440 570 HB3 LEU 67 1HB LEU 67 10.076 -7.160 -8.650 571 HG LEU 67 HG LEU 67 8.170 -7.451 -6.940 572 HD11 LEU 67 1HD1 LEU 67 10.588 -7.953 -5.230 573 HD12 LEU 67 2HD1 LEU 67 9.119 -8.919 -5.363 574 HD13 LEU 67 3HD1 LEU 67 9.069 -7.342 -4.576 575 HD21 LEU 67 1HD2 LEU 67 9.143 -5.416 -5.622 576 HD22 LEU 67 2HD2 LEU 67 8.762 -5.265 -7.338 577 HD23 LEU 67 3HD2 LEU 67 10.431 -5.510 -6.824 578 H6 HTS 101 H6 HTS 68 8.083 3.232 3.786 579 H3 HTS 101 H3 HTS 68 7.797 -0.850 1.036 580 H4 HTS 101 H4 HTS 68 9.992 0.169 1.502 581 H5 HTS 101 H5 HTS 68 10.134 2.205 2.883 582 HO1 HTS 101 HO1 HTS 68 5.237 1.715 4.050
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