NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6304 | 1irz | 5174 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1HT THR 1 26.550 2.890 -2.109 2 2H THR 1 2HT THR 1 25.194 2.106 -2.767 3 3H THR 1 3HT THR 1 25.058 2.962 -1.306 4 HA THR 1 HA THR 1 25.429 5.043 -2.403 5 HB THR 1 HB THR 1 25.391 4.762 -5.047 6 HG1 THR 1 1HG THR 1 25.557 2.726 -5.509 7 1HG2 THR 1 1HG2 THR 1 28.053 4.133 -3.884 8 2HG2 THR 1 2HG2 THR 1 27.235 5.562 -3.253 9 3HG2 THR 1 3HG2 THR 1 27.580 5.433 -4.977 10 H ALA 2 H ALA 2 23.332 5.561 -1.895 11 HA ALA 2 HA ALA 2 21.270 5.405 -3.827 12 1HB ALA 2 1HB ALA 2 21.140 3.036 -3.495 13 2HB ALA 2 2HB ALA 2 19.779 3.727 -2.611 14 3HB ALA 2 3HB ALA 2 21.224 3.211 -1.742 15 H GLN 3 H GLN 3 19.104 6.045 -2.831 16 HA GLN 3 HA GLN 3 19.340 8.291 -1.180 17 1HB GLN 3 2HB GLN 3 17.177 6.648 -2.197 18 2HB GLN 3 1HB GLN 3 16.825 7.195 -0.558 19 1HG GLN 3 2HG GLN 3 16.041 9.003 -1.791 20 2HG GLN 3 1HG GLN 3 17.701 9.513 -1.481 21 1HE2 GLN 3 1HE2 GLN 3 15.527 9.472 -3.933 22 2HE2 GLN 3 2HE2 GLN 3 16.565 9.250 -5.257 23 H LYS 4 H LYS 4 18.030 8.313 1.082 24 HA LYS 4 HA LYS 4 18.622 5.960 2.741 25 1HB LYS 4 2HB LYS 4 20.786 7.241 2.619 26 2HB LYS 4 1HB LYS 4 19.957 8.609 3.362 27 1HG LYS 4 2HG LYS 4 19.311 7.046 5.257 28 2HG LYS 4 1HG LYS 4 20.420 5.867 4.556 29 1HD LYS 4 2HD LYS 4 22.255 6.987 5.282 30 2HD LYS 4 1HD LYS 4 21.577 8.557 4.849 31 1HE LYS 4 2HE LYS 4 19.988 7.681 6.976 32 2HE LYS 4 1HE LYS 4 21.628 7.226 7.438 33 1HZ LYS 4 1HZ LYS 4 20.616 9.658 7.802 34 2HZ LYS 4 2HZ LYS 4 21.331 9.867 6.275 35 3HZ LYS 4 3HZ LYS 4 22.273 9.358 7.595 36 H LYS 5 H LYS 5 16.133 6.834 2.312 37 HA LYS 5 HA LYS 5 15.376 8.851 4.312 38 1HB LYS 5 2HB LYS 5 13.154 8.638 3.443 39 2HB LYS 5 1HB LYS 5 14.233 8.559 2.051 40 1HG LYS 5 2HG LYS 5 14.172 5.991 2.413 41 2HG LYS 5 1HG LYS 5 12.749 6.311 3.406 42 1HD LYS 5 2HD LYS 5 11.909 5.892 1.214 43 2HD LYS 5 1HD LYS 5 11.842 7.643 1.417 44 1HE LYS 5 2HE LYS 5 14.126 7.747 0.308 45 2HE LYS 5 1HE LYS 5 13.917 6.043 -0.097 46 1HZ LYS 5 1HZ LYS 5 11.591 7.053 -0.914 47 2HZ LYS 5 2HZ LYS 5 12.948 6.885 -1.921 48 3HZ LYS 5 3HZ LYS 5 12.604 8.383 -1.196 49 HA PRO 6 HA PRO 6 14.801 5.765 7.441 50 1HB PRO 6 2HB PRO 6 13.636 7.429 9.293 51 2HB PRO 6 1HB PRO 6 15.377 7.402 8.960 52 1HG PRO 6 2HG PRO 6 13.346 9.432 8.160 53 2HG PRO 6 1HG PRO 6 15.089 9.625 8.407 54 1HD PRO 6 2HD PRO 6 13.777 9.402 5.904 55 2HD PRO 6 1HD PRO 6 15.527 9.285 6.184 56 H ARG 7 H ARG 7 13.126 4.348 7.860 57 HA ARG 7 HA ARG 7 10.997 3.391 7.470 58 1HB ARG 7 2HB ARG 7 9.215 4.919 8.683 59 2HB ARG 7 1HB ARG 7 10.465 4.099 9.618 60 1HG ARG 7 2HG ARG 7 11.865 6.156 9.491 61 2HG ARG 7 1HG ARG 7 10.549 6.970 8.645 62 1HD ARG 7 2HD ARG 7 9.749 5.636 11.152 63 2HD ARG 7 1HD ARG 7 10.867 6.984 11.363 64 HE ARG 7 HE ARG 7 8.249 7.239 9.934 65 1HH1 ARG 7 1HH1 ARG 7 8.979 8.019 12.897 66 2HH1 ARG 7 2HH1 ARG 7 9.073 9.739 12.719 67 1HH2 ARG 7 1HH2 ARG 7 9.163 9.641 9.254 68 2HH2 ARG 7 2HH2 ARG 7 9.178 10.658 10.656 69 H VAL 8 H VAL 8 10.767 3.572 5.189 70 HA VAL 8 HA VAL 8 9.891 5.986 3.886 71 HB VAL 8 HB VAL 8 9.442 3.158 2.905 72 1HG1 VAL 8 1HG1 VAL 8 10.048 5.717 1.401 73 2HG1 VAL 8 2HG1 VAL 8 8.415 5.111 1.674 74 3HG1 VAL 8 3HG1 VAL 8 9.555 4.169 0.714 75 1HG2 VAL 8 1HG2 VAL 8 11.688 2.910 3.053 76 2HG2 VAL 8 2HG2 VAL 8 11.929 4.618 3.422 77 3HG2 VAL 8 3HG2 VAL 8 11.782 4.089 1.746 78 H LEU 9 H LEU 9 7.874 6.862 3.910 79 HA LEU 9 HA LEU 9 5.661 5.287 5.084 80 1HB LEU 9 2HB LEU 9 6.120 7.670 5.778 81 2HB LEU 9 1HB LEU 9 5.644 8.173 4.156 82 HG LEU 9 HG LEU 9 3.512 6.673 4.707 83 1HD1 LEU 9 1HD1 LEU 9 3.448 7.707 7.372 84 2HD1 LEU 9 2HD1 LEU 9 4.923 6.758 7.191 85 3HD1 LEU 9 3HD1 LEU 9 3.355 6.024 6.855 86 1HD2 LEU 9 1HD2 LEU 9 2.739 8.766 4.341 87 2HD2 LEU 9 2HD2 LEU 9 4.204 9.491 5.002 88 3HD2 LEU 9 3HD2 LEU 9 2.886 9.028 6.079 89 H TRP 10 H TRP 10 6.197 7.270 2.147 90 HA TRP 10 HA TRP 10 4.775 5.307 0.517 91 1HB TRP 10 2HB TRP 10 3.478 7.849 1.411 92 2HB TRP 10 1HB TRP 10 3.208 7.325 -0.251 93 HD1 TRP 10 HD TRP 10 1.727 6.966 3.009 94 HE1 TRP 10 1HE TRP 10 0.269 4.847 3.180 95 HE3 TRP 10 3HE TRP 10 3.320 4.462 -1.147 96 HZ2 TRP 10 2HZ TRP 10 -0.165 2.412 1.743 97 HZ3 TRP 10 3HZ TRP 10 2.369 2.247 -1.721 98 HH2 TRP 10 HH TRP 10 0.630 1.219 -0.283 99 H THR 11 H THR 11 6.969 5.488 -0.429 100 HA THR 11 HA THR 11 7.290 7.966 -2.076 101 HB THR 11 HB THR 11 9.711 7.264 -2.213 102 HG1 THR 11 1HG THR 11 10.380 5.575 -1.063 103 1HG2 THR 11 1HG2 THR 11 9.793 8.825 -0.591 104 2HG2 THR 11 2HG2 THR 11 9.734 7.503 0.574 105 3HG2 THR 11 3HG2 THR 11 8.245 8.303 0.072 106 H HIS 12 H HIS 12 8.638 7.375 -4.171 107 HA HIS 12 HA HIS 12 7.022 5.736 -5.818 108 1HB HIS 12 2HB HIS 12 9.124 5.736 -7.331 109 2HB HIS 12 1HB HIS 12 8.400 7.296 -6.939 110 HD1 HIS 12 1HD HIS 12 9.999 8.986 -6.059 111 HD2 HIS 12 2HD HIS 12 11.329 5.103 -5.328 112 HE1 HIS 12 1HE HIS 12 12.266 9.202 -4.950 113 H GLU 13 H GLU 13 9.534 4.885 -3.597 114 HA GLU 13 HA GLU 13 10.101 2.288 -4.824 115 1HB GLU 13 2HB GLU 13 11.683 3.679 -3.331 116 2HB GLU 13 1HB GLU 13 10.728 3.074 -1.977 117 1HG GLU 13 2HG GLU 13 12.182 1.323 -2.034 118 2HG GLU 13 1HG GLU 13 11.177 0.767 -3.373 119 H LEU 14 H LEU 14 8.633 3.235 -1.690 120 HA LEU 14 HA LEU 14 7.588 0.669 -1.078 121 1HB LEU 14 2HB LEU 14 6.989 3.466 -0.217 122 2HB LEU 14 1HB LEU 14 5.802 2.222 0.172 123 HG LEU 14 HG LEU 14 8.742 2.209 0.911 124 1HD1 LEU 14 1HD1 LEU 14 7.514 3.635 2.390 125 2HD1 LEU 14 2HD1 LEU 14 7.701 2.100 3.238 126 3HD1 LEU 14 3HD1 LEU 14 6.165 2.502 2.470 127 1HD2 LEU 14 1HD2 LEU 14 8.530 -0.045 0.913 128 2HD2 LEU 14 2HD2 LEU 14 6.794 0.053 0.621 129 3HD2 LEU 14 3HD2 LEU 14 7.418 0.156 2.267 130 H HIS 15 H HIS 15 6.553 3.024 -3.380 131 HA HIS 15 HA HIS 15 3.797 2.059 -3.546 132 1HB HIS 15 2HB HIS 15 4.517 4.405 -4.138 133 2HB HIS 15 1HB HIS 15 5.327 3.736 -5.554 134 HD1 HIS 15 1HD HIS 15 1.851 3.873 -4.002 135 HD2 HIS 15 2HD HIS 15 3.646 3.340 -7.726 136 HE1 HIS 15 1HE HIS 15 -0.027 3.812 -5.700 137 H ASN 16 H ASN 16 6.860 1.390 -5.138 138 HA ASN 16 HA ASN 16 5.706 -0.077 -7.355 139 1HB ASN 16 2HB ASN 16 8.489 -0.080 -6.151 140 2HB ASN 16 1HB ASN 16 8.053 -0.953 -7.621 141 1HD2 ASN 16 1HD2 ASN 16 6.317 0.940 -8.837 142 2HD2 ASN 16 2HD2 ASN 16 7.209 2.329 -9.232 143 H LYS 17 H LYS 17 6.778 -0.924 -4.099 144 HA LYS 17 HA LYS 17 6.631 -3.790 -4.539 145 1HB LYS 17 2HB LYS 17 6.405 -2.346 -1.887 146 2HB LYS 17 1HB LYS 17 6.968 -3.993 -2.172 147 1HG LYS 17 2HG LYS 17 8.953 -3.206 -3.284 148 2HG LYS 17 1HG LYS 17 8.353 -1.547 -3.300 149 1HD LYS 17 2HD LYS 17 8.372 -1.552 -0.806 150 2HD LYS 17 1HD LYS 17 9.079 -3.168 -0.841 151 1HE LYS 17 2HE LYS 17 10.954 -2.209 -2.249 152 2HE LYS 17 1HE LYS 17 10.294 -0.609 -1.911 153 1HZ LYS 17 1HZ LYS 17 12.027 -1.168 -0.340 154 2HZ LYS 17 2HZ LYS 17 11.204 -2.584 0.112 155 3HZ LYS 17 3HZ LYS 17 10.534 -1.062 0.458 156 H PHE 18 H PHE 18 4.442 -1.355 -3.136 157 HA PHE 18 HA PHE 18 2.388 -3.227 -2.408 158 1HB PHE 18 2HB PHE 18 2.364 -1.045 -1.400 159 2HB PHE 18 1HB PHE 18 2.329 -0.253 -2.975 160 HD1 PHE 18 1HD PHE 18 0.273 0.445 -3.821 161 HD2 PHE 18 2HD PHE 18 0.389 -2.791 -0.999 162 HE1 PHE 18 1HE PHE 18 -2.206 0.359 -3.818 163 HE2 PHE 18 2HE PHE 18 -2.089 -2.878 -0.996 164 HZ PHE 18 HZ PHE 18 -3.387 -1.303 -2.405 165 H LEU 19 H LEU 19 3.303 -1.786 -5.442 166 HA LEU 19 HA LEU 19 0.705 -2.285 -6.703 167 1HB LEU 19 2HB LEU 19 3.414 -1.504 -7.815 168 2HB LEU 19 1HB LEU 19 1.981 -1.725 -8.819 169 HG LEU 19 HG LEU 19 1.937 0.111 -6.427 170 1HD1 LEU 19 1HD1 LEU 19 3.206 0.513 -9.086 171 2HD1 LEU 19 2HD1 LEU 19 3.569 1.277 -7.540 172 3HD1 LEU 19 3HD1 LEU 19 2.195 1.831 -8.495 173 1HD2 LEU 19 1HD2 LEU 19 -0.198 0.356 -7.106 174 2HD2 LEU 19 2HD2 LEU 19 0.088 -0.744 -8.454 175 3HD2 LEU 19 3HD2 LEU 19 0.382 0.984 -8.648 176 H ALA 20 H ALA 20 3.943 -3.791 -6.797 177 HA ALA 20 HA ALA 20 3.054 -5.906 -8.582 178 1HB ALA 20 1HB ALA 20 5.390 -6.514 -6.910 179 2HB ALA 20 2HB ALA 20 5.521 -4.968 -7.748 180 3HB ALA 20 3HB ALA 20 5.255 -6.450 -8.667 181 H ALA 21 H ALA 21 2.884 -5.348 -5.176 182 HA ALA 21 HA ALA 21 2.626 -8.175 -4.471 183 1HB ALA 21 1HB ALA 21 1.578 -6.906 -2.333 184 2HB ALA 21 2HB ALA 21 2.483 -5.567 -3.040 185 3HB ALA 21 3HB ALA 21 3.318 -7.052 -2.585 186 H VAL 22 H VAL 22 0.449 -5.439 -5.078 187 HA VAL 22 HA VAL 22 -1.961 -6.912 -4.413 188 HB VAL 22 HB VAL 22 -1.699 -4.549 -6.294 189 1HG1 VAL 22 1HG1 VAL 22 -3.923 -4.947 -6.430 190 2HG1 VAL 22 2HG1 VAL 22 -3.998 -4.293 -4.793 191 3HG1 VAL 22 3HG1 VAL 22 -3.899 -6.036 -5.043 192 1HG2 VAL 22 1HG2 VAL 22 -2.390 -4.133 -3.441 193 2HG2 VAL 22 2HG2 VAL 22 -1.431 -3.126 -4.526 194 3HG2 VAL 22 3HG2 VAL 22 -0.708 -4.547 -3.771 195 H ASP 23 H ASP 23 -0.307 -6.064 -7.433 196 HA ASP 23 HA ASP 23 -2.081 -7.392 -9.223 197 1HB ASP 23 2HB ASP 23 -0.078 -5.789 -9.676 198 2HB ASP 23 1HB ASP 23 0.894 -7.254 -9.651 199 H HIS 24 H HIS 24 0.827 -8.514 -7.519 200 HA HIS 24 HA HIS 24 0.956 -11.119 -8.649 201 1HB HIS 24 2HB HIS 24 2.724 -10.098 -7.208 202 2HB HIS 24 1HB HIS 24 1.667 -10.310 -5.813 203 HD1 HIS 24 1HD HIS 24 3.334 -12.015 -4.735 204 HD2 HIS 24 2HD HIS 24 1.827 -13.218 -8.431 205 HE1 HIS 24 1HE HIS 24 3.908 -14.470 -4.977 206 H LEU 25 H LEU 25 -1.244 -9.744 -6.335 207 HA LEU 25 HA LEU 25 -2.338 -12.470 -5.770 208 1HB LEU 25 2HB LEU 25 -2.969 -9.955 -4.225 209 2HB LEU 25 1HB LEU 25 -3.190 -11.628 -3.717 210 HG LEU 25 HG LEU 25 -0.423 -10.739 -4.412 211 1HD1 LEU 25 1HD1 LEU 25 -1.208 -10.319 -1.596 212 2HD1 LEU 25 2HD1 LEU 25 -1.880 -9.147 -2.728 213 3HD1 LEU 25 3HD1 LEU 25 -0.134 -9.365 -2.619 214 1HD2 LEU 25 1HD2 LEU 25 -1.669 -12.999 -3.283 215 2HD2 LEU 25 2HD2 LEU 25 -0.828 -12.213 -1.947 216 3HD2 LEU 25 3HD2 LEU 25 0.064 -12.692 -3.390 217 H GLY 26 H GLY 26 -2.866 -9.815 -7.704 218 1HA GLY 26 2HA GLY 26 -4.734 -9.397 -9.105 219 2HA GLY 26 1HA GLY 26 -5.632 -10.633 -8.219 220 H VAL 27 H VAL 27 -5.184 -7.295 -8.612 221 HA VAL 27 HA VAL 27 -5.749 -6.199 -6.091 222 HB VAL 27 HB VAL 27 -5.241 -4.767 -7.983 223 1HG1 VAL 27 1HG1 VAL 27 -7.795 -5.934 -9.107 224 2HG1 VAL 27 2HG1 VAL 27 -6.182 -5.968 -9.820 225 3HG1 VAL 27 3HG1 VAL 27 -7.078 -4.451 -9.737 226 1HG2 VAL 27 1HG2 VAL 27 -6.764 -3.929 -6.129 227 2HG2 VAL 27 2HG2 VAL 27 -8.124 -4.249 -7.205 228 3HG2 VAL 27 3HG2 VAL 27 -6.904 -3.058 -7.656 229 H GLU 28 H GLU 28 -7.775 -8.117 -8.118 230 HA GLU 28 HA GLU 28 -10.323 -7.197 -7.119 231 1HB GLU 28 2HB GLU 28 -9.735 -8.685 -9.207 232 2HB GLU 28 1HB GLU 28 -9.890 -10.015 -8.058 233 1HG GLU 28 2HG GLU 28 -12.079 -8.188 -7.682 234 2HG GLU 28 1HG GLU 28 -11.979 -8.630 -9.387 235 H ARG 29 H ARG 29 -8.174 -9.889 -6.170 236 HA ARG 29 HA ARG 29 -9.853 -10.185 -3.710 237 1HB ARG 29 2HB ARG 29 -8.156 -12.235 -5.162 238 2HB ARG 29 1HB ARG 29 -8.959 -12.520 -3.618 239 1HG ARG 29 2HG ARG 29 -10.422 -11.635 -6.118 240 2HG ARG 29 1HG ARG 29 -10.259 -13.324 -5.633 241 1HD ARG 29 2HD ARG 29 -11.178 -11.572 -3.462 242 2HD ARG 29 1HD ARG 29 -12.290 -11.637 -4.829 243 HE ARG 29 HE ARG 29 -11.464 -14.296 -4.166 244 1HH1 ARG 29 1HH1 ARG 29 -12.886 -11.725 -2.431 245 2HH1 ARG 29 2HH1 ARG 29 -14.197 -12.672 -1.810 246 1HH2 ARG 29 1HH2 ARG 29 -13.359 -15.506 -3.621 247 2HH2 ARG 29 2HH2 ARG 29 -14.464 -14.811 -2.483 248 H ALA 30 H ALA 30 -7.252 -8.578 -4.496 249 HA ALA 30 HA ALA 30 -5.269 -9.681 -2.654 250 1HB ALA 30 1HB ALA 30 -5.320 -7.706 -4.722 251 2HB ALA 30 2HB ALA 30 -3.918 -8.376 -3.889 252 3HB ALA 30 3HB ALA 30 -4.723 -6.943 -3.249 253 H VAL 31 H VAL 31 -5.388 -9.414 -0.481 254 HA VAL 31 HA VAL 31 -7.028 -7.166 0.581 255 HB VAL 31 HB VAL 31 -7.038 -8.405 2.689 256 1HG1 VAL 31 1HG1 VAL 31 -8.602 -9.041 0.784 257 2HG1 VAL 31 2HG1 VAL 31 -8.339 -10.296 1.995 258 3HG1 VAL 31 3HG1 VAL 31 -7.505 -10.380 0.443 259 1HG2 VAL 31 1HG2 VAL 31 -4.620 -9.388 1.880 260 2HG2 VAL 31 2HG2 VAL 31 -5.665 -10.773 1.564 261 3HG2 VAL 31 3HG2 VAL 31 -5.577 -10.086 3.186 262 HA PRO 32 HA PRO 32 -3.430 -5.082 1.983 263 1HB PRO 32 2HB PRO 32 -4.474 -3.790 4.178 264 2HB PRO 32 1HB PRO 32 -4.806 -3.304 2.506 265 1HG PRO 32 2HG PRO 32 -6.582 -4.730 4.434 266 2HG PRO 32 1HG PRO 32 -7.015 -3.692 3.065 267 1HD PRO 32 2HD PRO 32 -7.092 -6.520 3.084 268 2HD PRO 32 1HD PRO 32 -7.186 -5.484 1.643 269 H LYS 33 H LYS 33 -5.153 -7.214 4.154 270 HA LYS 33 HA LYS 33 -3.267 -7.163 6.326 271 1HB LYS 33 2HB LYS 33 -5.434 -8.048 6.781 272 2HB LYS 33 1HB LYS 33 -5.355 -9.147 5.406 273 1HG LYS 33 2HG LYS 33 -3.206 -9.440 7.437 274 2HG LYS 33 1HG LYS 33 -4.824 -9.941 7.932 275 1HD LYS 33 2HD LYS 33 -4.820 -11.119 5.552 276 2HD LYS 33 1HD LYS 33 -3.072 -11.056 5.775 277 1HE LYS 33 2HE LYS 33 -4.440 -11.933 8.197 278 2HE LYS 33 1HE LYS 33 -4.791 -12.986 6.826 279 1HZ LYS 33 1HZ LYS 33 -2.817 -13.898 7.188 280 2HZ LYS 33 2HZ LYS 33 -2.379 -12.700 8.310 281 3HZ LYS 33 3HZ LYS 33 -2.107 -12.454 6.651 282 H LYS 34 H LYS 34 -3.752 -9.494 3.651 283 HA LYS 34 HA LYS 34 -1.364 -10.984 4.277 284 1HB LYS 34 2HB LYS 34 -3.265 -10.857 1.966 285 2HB LYS 34 1HB LYS 34 -1.698 -11.626 1.715 286 1HG LYS 34 2HG LYS 34 -3.646 -12.336 3.929 287 2HG LYS 34 1HG LYS 34 -3.422 -13.260 2.443 288 1HD LYS 34 2HD LYS 34 -0.946 -13.407 3.080 289 2HD LYS 34 1HD LYS 34 -1.428 -12.815 4.670 290 1HE LYS 34 2HE LYS 34 -1.405 -15.227 4.771 291 2HE LYS 34 1HE LYS 34 -3.091 -14.711 4.781 292 1HZ LYS 34 1HZ LYS 34 -1.864 -15.202 2.181 293 2HZ LYS 34 2HZ LYS 34 -3.449 -15.509 2.711 294 3HZ LYS 34 3HZ LYS 34 -2.187 -16.562 3.142 295 H ILE 35 H ILE 35 -2.059 -8.333 1.984 296 HA ILE 35 HA ILE 35 0.570 -8.329 0.838 297 HB ILE 35 HB ILE 35 -1.511 -6.148 1.094 298 1HG1 ILE 35 2HG1 ILE 35 -0.767 -8.251 -0.902 299 2HG1 ILE 35 1HG1 ILE 35 -2.360 -7.646 -0.460 300 1HG2 ILE 35 1HG2 ILE 35 0.807 -5.214 0.970 301 2HG2 ILE 35 2HG2 ILE 35 -0.145 -4.847 -0.469 302 3HG2 ILE 35 3HG2 ILE 35 1.065 -6.129 -0.516 303 1HD1 ILE 35 1HD1 ILE 35 -1.338 -5.412 -1.586 304 2HD1 ILE 35 2HD1 ILE 35 -2.207 -6.636 -2.513 305 3HD1 ILE 35 3HD1 ILE 35 -0.443 -6.631 -2.494 306 H LEU 36 H LEU 36 -0.721 -7.153 3.849 307 HA LEU 36 HA LEU 36 1.196 -5.188 4.527 308 1HB LEU 36 2HB LEU 36 -0.675 -5.637 6.020 309 2HB LEU 36 1HB LEU 36 -0.123 -7.293 6.275 310 HG LEU 36 HG LEU 36 1.934 -6.465 7.332 311 1HD1 LEU 36 1HD1 LEU 36 1.114 -4.020 6.059 312 2HD1 LEU 36 2HD1 LEU 36 2.636 -4.376 6.876 313 3HD1 LEU 36 3HD1 LEU 36 1.269 -3.741 7.794 314 1HD2 LEU 36 1HD2 LEU 36 0.157 -6.858 8.876 315 2HD2 LEU 36 2HD2 LEU 36 -0.695 -5.395 8.382 316 3HD2 LEU 36 3HD2 LEU 36 0.802 -5.275 9.307 317 H ASP 37 H ASP 37 1.388 -8.716 4.511 318 HA ASP 37 HA ASP 37 4.018 -8.822 5.744 319 1HB ASP 37 2HB ASP 37 2.318 -10.774 4.194 320 2HB ASP 37 1HB ASP 37 3.988 -11.166 4.603 321 H LEU 38 H LEU 38 2.761 -8.566 2.464 322 HA LEU 38 HA LEU 38 5.123 -9.113 0.997 323 1HB LEU 38 2HB LEU 38 2.705 -7.391 0.511 324 2HB LEU 38 1HB LEU 38 4.062 -7.320 -0.612 325 HG LEU 38 HG LEU 38 3.071 -10.020 0.187 326 1HD1 LEU 38 1HD1 LEU 38 1.004 -9.763 -0.671 327 2HD1 LEU 38 2HD1 LEU 38 1.684 -9.132 -2.171 328 3HD1 LEU 38 3HD1 LEU 38 1.316 -8.035 -0.841 329 1HD2 LEU 38 1HD2 LEU 38 4.918 -10.033 -1.293 330 2HD2 LEU 38 2HD2 LEU 38 4.278 -8.688 -2.238 331 3HD2 LEU 38 3HD2 LEU 38 3.530 -10.281 -2.353 332 H MET 39 H MET 39 4.012 -6.153 2.607 333 HA MET 39 HA MET 39 6.217 -4.532 1.634 334 1HB MET 39 2HB MET 39 4.207 -4.186 3.869 335 2HB MET 39 1HB MET 39 5.465 -2.995 3.536 336 1HG MET 39 2HG MET 39 3.816 -3.944 1.235 337 2HG MET 39 1HG MET 39 3.061 -2.838 2.383 338 1HE MET 39 1HE MET 39 2.722 -1.001 1.895 339 2HE MET 39 2HE MET 39 3.141 -0.445 0.276 340 3HE MET 39 3HE MET 39 3.871 0.328 1.681 341 H ASN 40 H ASN 40 5.500 -6.027 4.811 342 HA ASN 40 HA ASN 40 6.953 -6.609 6.561 343 1HB ASN 40 2HB ASN 40 7.883 -7.934 4.529 344 2HB ASN 40 1HB ASN 40 9.158 -6.715 4.505 345 1HD2 ASN 40 1HD2 ASN 40 10.961 -7.584 5.539 346 2HD2 ASN 40 2HD2 ASN 40 10.920 -8.462 6.991 347 H VAL 41 H VAL 41 6.704 -3.754 5.640 348 HA VAL 41 HA VAL 41 9.378 -2.665 6.312 349 HB VAL 41 HB VAL 41 6.831 -1.167 5.639 350 1HG1 VAL 41 1HG1 VAL 41 8.223 0.471 6.457 351 2HG1 VAL 41 2HG1 VAL 41 8.853 0.399 4.811 352 3HG1 VAL 41 3HG1 VAL 41 9.685 -0.453 6.111 353 1HG2 VAL 41 1HG2 VAL 41 8.359 -2.867 3.972 354 2HG2 VAL 41 2HG2 VAL 41 8.814 -1.220 3.537 355 3HG2 VAL 41 3HG2 VAL 41 7.123 -1.714 3.471 356 H ASP 42 H ASP 42 9.626 -1.157 8.092 357 HA ASP 42 HA ASP 42 8.017 -1.902 10.420 358 1HB ASP 42 2HB ASP 42 9.538 -0.244 11.590 359 2HB ASP 42 1HB ASP 42 10.375 -1.575 10.789 360 H LYS 43 H LYS 43 6.631 -0.496 11.577 361 HA LYS 43 HA LYS 43 5.273 1.401 11.939 362 1HB LYS 43 2HB LYS 43 7.478 2.531 10.847 363 2HB LYS 43 1HB LYS 43 6.304 2.875 9.576 364 1HG LYS 43 2HG LYS 43 5.358 4.495 10.817 365 2HG LYS 43 1HG LYS 43 5.122 3.377 12.161 366 1HD LYS 43 2HD LYS 43 7.921 4.188 11.820 367 2HD LYS 43 1HD LYS 43 6.845 5.540 12.173 368 1HE LYS 43 2HE LYS 43 5.896 4.136 14.071 369 2HE LYS 43 1HE LYS 43 7.233 3.018 13.800 370 1HZ LYS 43 1HZ LYS 43 8.297 4.350 15.231 371 2HZ LYS 43 2HZ LYS 43 7.239 5.657 14.986 372 3HZ LYS 43 3HZ LYS 43 8.506 5.369 13.892 373 H LEU 44 H LEU 44 5.389 -0.568 9.268 374 HA LEU 44 HA LEU 44 3.017 0.697 7.982 375 1HB LEU 44 2HB LEU 44 5.120 -1.233 7.084 376 2HB LEU 44 1HB LEU 44 3.525 -1.336 6.339 377 HG LEU 44 HG LEU 44 5.286 1.129 6.472 378 1HD1 LEU 44 1HD1 LEU 44 6.072 0.460 4.473 379 2HD1 LEU 44 2HD1 LEU 44 4.429 0.341 3.843 380 3HD1 LEU 44 3HD1 LEU 44 5.168 -1.045 4.645 381 1HD2 LEU 44 1HD2 LEU 44 3.345 2.272 6.282 382 2HD2 LEU 44 2HD2 LEU 44 2.417 0.784 6.092 383 3HD2 LEU 44 3HD2 LEU 44 3.169 1.539 4.687 384 H THR 45 H THR 45 1.067 -0.063 8.634 385 HA THR 45 HA THR 45 0.934 -2.872 9.656 386 HB THR 45 HB THR 45 -1.300 -1.872 10.672 387 HG1 THR 45 1HG THR 45 -0.421 0.406 11.286 388 1HG2 THR 45 1HG2 THR 45 1.430 -2.122 11.581 389 2HG2 THR 45 2HG2 THR 45 -0.065 -2.369 12.483 390 3HG2 THR 45 3HG2 THR 45 0.648 -0.759 12.381 391 H ARG 46 H ARG 46 -1.566 -3.602 9.446 392 HA ARG 46 HA ARG 46 -2.070 -3.687 6.576 393 1HB ARG 46 2HB ARG 46 -4.042 -5.080 7.245 394 2HB ARG 46 1HB ARG 46 -2.521 -5.670 7.917 395 1HG ARG 46 2HG ARG 46 -3.022 -4.889 10.072 396 2HG ARG 46 1HG ARG 46 -4.221 -3.739 9.479 397 1HD ARG 46 2HD ARG 46 -5.501 -5.855 8.659 398 2HD ARG 46 1HD ARG 46 -4.468 -6.724 9.793 399 HE ARG 46 HE ARG 46 -6.758 -5.265 10.552 400 1HH1 ARG 46 1HH2 ARG 46 -4.144 -6.723 11.907 401 2HH1 ARG 46 2HH2 ARG 46 -4.008 -5.678 13.281 402 1HH2 ARG 46 1HH1 ARG 46 -6.272 -3.348 12.068 403 2HH2 ARG 46 2HH1 ARG 46 -5.212 -3.767 13.372 404 H GLU 47 H GLU 47 -3.293 -1.875 9.305 405 HA GLU 47 HA GLU 47 -5.726 -0.972 8.012 406 1HB GLU 47 2HB GLU 47 -5.474 -0.915 10.462 407 2HB GLU 47 1HB GLU 47 -4.152 0.243 10.305 408 1HG GLU 47 2HG GLU 47 -5.626 1.905 9.358 409 2HG GLU 47 1HG GLU 47 -6.948 0.741 9.249 410 H ASN 48 H ASN 48 -2.387 -0.030 7.882 411 HA ASN 48 HA ASN 48 -2.878 2.657 6.873 412 1HB ASN 48 2HB ASN 48 -0.492 0.877 7.199 413 2HB ASN 48 1HB ASN 48 -0.370 2.249 6.096 414 1HD2 ASN 48 1HD2 ASN 48 -0.305 4.375 7.008 415 2HD2 ASN 48 2HD2 ASN 48 -0.280 4.660 8.681 416 H VAL 49 H VAL 49 -2.277 -0.528 5.445 417 HA VAL 49 HA VAL 49 -2.211 0.573 2.724 418 HB VAL 49 HB VAL 49 -2.413 -2.318 3.623 419 1HG1 VAL 49 1HG1 VAL 49 -1.075 -1.498 1.101 420 2HG1 VAL 49 2HG1 VAL 49 -2.830 -1.329 1.136 421 3HG1 VAL 49 3HG1 VAL 49 -2.090 -2.902 1.432 422 1HG2 VAL 49 1HG2 VAL 49 0.101 -2.239 3.084 423 2HG2 VAL 49 2HG2 VAL 49 -0.406 -1.473 4.589 424 3HG2 VAL 49 3HG2 VAL 49 -0.050 -0.484 3.173 425 H ALA 50 H ALA 50 -4.541 -0.782 4.935 426 HA ALA 50 HA ALA 50 -6.537 -1.356 2.894 427 1HB ALA 50 1HB ALA 50 -6.759 -2.613 4.900 428 2HB ALA 50 2HB ALA 50 -8.073 -1.439 4.958 429 3HB ALA 50 3HB ALA 50 -6.612 -1.174 5.909 430 H SER 51 H SER 51 -5.491 1.442 4.625 431 HA SER 51 HA SER 51 -7.986 2.927 4.331 432 1HB SER 51 2HB SER 51 -5.183 3.609 5.180 433 2HB SER 51 1HB SER 51 -6.326 4.898 4.816 434 HG SER 51 HG SER 51 -6.161 3.899 7.071 435 H HIS 52 H HIS 52 -4.821 2.917 2.673 436 HA HIS 52 HA HIS 52 -5.498 4.937 0.759 437 1HB HIS 52 2HB HIS 52 -3.179 4.301 1.075 438 2HB HIS 52 1HB HIS 52 -3.530 2.635 0.615 439 HD1 HIS 52 1HD HIS 52 -4.772 5.751 -1.163 440 HD2 HIS 52 2HD HIS 52 -2.202 2.539 -1.841 441 HE1 HIS 52 1HE HIS 52 -4.069 5.896 -3.591 442 H LEU 53 H LEU 53 -6.133 1.488 0.914 443 HA LEU 53 HA LEU 53 -6.935 1.205 -1.854 444 1HB LEU 53 2HB LEU 53 -6.269 -0.723 -0.435 445 2HB LEU 53 1HB LEU 53 -7.705 -0.469 0.557 446 HG LEU 53 HG LEU 53 -8.913 -0.574 -1.822 447 1HD1 LEU 53 1HD1 LEU 53 -7.201 -2.753 -2.569 448 2HD1 LEU 53 2HD1 LEU 53 -6.222 -1.294 -2.420 449 3HD1 LEU 53 3HD1 LEU 53 -7.613 -1.314 -3.503 450 1HD2 LEU 53 1HD2 LEU 53 -9.776 -2.457 -0.916 451 2HD2 LEU 53 2HD2 LEU 53 -8.578 -2.285 0.367 452 3HD2 LEU 53 3HD2 LEU 53 -8.230 -3.297 -1.034 453 H GLN 54 H GLN 54 -8.758 1.603 1.198 454 HA GLN 54 HA GLN 54 -11.330 1.727 -0.100 455 1HB GLN 54 2HB GLN 54 -10.362 2.661 2.614 456 2HB GLN 54 1HB GLN 54 -12.047 2.773 2.102 457 1HG GLN 54 2HG GLN 54 -12.084 0.332 1.706 458 2HG GLN 54 1HG GLN 54 -10.408 0.225 2.246 459 1HE2 GLN 54 1HE2 GLN 54 -12.942 2.302 3.690 460 2HE2 GLN 54 2HE2 GLN 54 -12.938 1.528 5.200 461 H LYS 55 H LYS 55 -8.757 3.993 0.284 462 HA LYS 55 HA LYS 55 -10.433 6.372 -0.019 463 1HB LYS 55 2HB LYS 55 -7.489 5.812 0.098 464 2HB LYS 55 1HB LYS 55 -8.033 7.347 -0.582 465 1HG LYS 55 2HG LYS 55 -9.073 8.010 1.430 466 2HG LYS 55 1HG LYS 55 -9.086 6.365 2.067 467 1HD LYS 55 2HD LYS 55 -7.293 7.265 3.241 468 2HD LYS 55 1HD LYS 55 -6.462 6.588 1.840 469 1HE LYS 55 2HE LYS 55 -6.050 8.656 0.908 470 2HE LYS 55 1HE LYS 55 -7.500 9.377 1.608 471 1HZ LYS 55 1HZ LYS 55 -5.281 8.507 3.341 472 2HZ LYS 55 2HZ LYS 55 -6.479 9.675 3.640 473 3HZ LYS 55 3HZ LYS 55 -5.212 10.010 2.558 474 H PHE 56 H PHE 56 -8.723 4.148 -2.118 475 HA PHE 56 HA PHE 56 -8.751 5.851 -4.459 476 1HB PHE 56 2HB PHE 56 -7.278 3.809 -4.131 477 2HB PHE 56 1HB PHE 56 -8.713 2.820 -4.407 478 HD1 PHE 56 1HD PHE 56 -8.721 1.919 -6.555 479 HD2 PHE 56 2HD PHE 56 -7.363 5.953 -5.979 480 HE1 PHE 56 1HE PHE 56 -8.424 2.170 -9.005 481 HE2 PHE 56 2HE PHE 56 -7.066 6.203 -8.429 482 HZ PHE 56 HZ PHE 56 -7.597 4.311 -9.941 483 H ARG 57 H ARG 57 -10.888 3.210 -3.319 484 HA ARG 57 HA ARG 57 -12.691 3.240 -5.507 485 1HB ARG 57 2HB ARG 57 -13.105 2.671 -2.560 486 2HB ARG 57 1HB ARG 57 -14.408 2.514 -3.738 487 1HG ARG 57 2HG ARG 57 -13.535 0.615 -4.638 488 2HG ARG 57 1HG ARG 57 -11.877 1.208 -4.521 489 1HD ARG 57 2HD ARG 57 -11.592 0.404 -2.375 490 2HD ARG 57 1HD ARG 57 -13.304 0.556 -1.978 491 HE ARG 57 HE ARG 57 -13.279 -1.765 -2.440 492 1HH1 ARG 57 1HH1 ARG 57 -10.532 -2.082 -3.446 493 2HH1 ARG 57 2HH1 ARG 57 -10.768 -2.483 -5.114 494 1HH2 ARG 57 1HH2 ARG 57 -14.048 -1.362 -5.194 495 2HH2 ARG 57 2HH2 ARG 57 -12.758 -2.075 -6.104 496 H VAL 58 H VAL 58 -12.527 5.263 -2.598 497 HA VAL 58 HA VAL 58 -14.923 6.764 -3.122 498 HB VAL 58 HB VAL 58 -12.400 7.397 -1.567 499 1HG1 VAL 58 1HG1 VAL 58 -13.147 9.551 -2.148 500 2HG1 VAL 58 2HG1 VAL 58 -13.956 9.256 -0.609 501 3HG1 VAL 58 3HG1 VAL 58 -14.844 9.070 -2.121 502 1HG2 VAL 58 1HG2 VAL 58 -14.335 5.676 -0.917 503 2HG2 VAL 58 2HG2 VAL 58 -15.143 7.155 -0.399 504 3HG2 VAL 58 3HG2 VAL 58 -13.586 6.710 0.299 505 H ALA 59 H ALA 59 -11.538 7.126 -4.077 506 HA ALA 59 HA ALA 59 -11.958 9.640 -5.471 507 1HB ALA 59 1HB ALA 59 -9.726 9.100 -4.686 508 2HB ALA 59 2HB ALA 59 -9.694 9.136 -6.449 509 3HB ALA 59 3HB ALA 59 -9.727 7.591 -5.599 510 H LEU 60 H LEU 60 -12.719 6.403 -6.117 511 HA LEU 60 HA LEU 60 -12.573 6.678 -9.053 512 1HB LEU 60 2HB LEU 60 -13.074 4.466 -7.109 513 2HB LEU 60 1HB LEU 60 -13.779 4.309 -8.716 514 HG LEU 60 HG LEU 60 -10.900 5.115 -8.436 515 1HD1 LEU 60 1HD1 LEU 60 -12.085 2.363 -8.080 516 2HD1 LEU 60 2HD1 LEU 60 -10.853 3.163 -7.105 517 3HD1 LEU 60 3HD1 LEU 60 -10.456 2.576 -8.720 518 1HD2 LEU 60 1HD2 LEU 60 -12.747 4.046 -10.508 519 2HD2 LEU 60 2HD2 LEU 60 -11.089 3.445 -10.559 520 3HD2 LEU 60 3HD2 LEU 60 -11.404 5.177 -10.675 521 H LYS 61 H LYS 61 -14.904 6.836 -6.449 522 HA LYS 61 HA LYS 61 -17.293 6.461 -7.956 523 1HB LYS 61 2HB LYS 61 -16.745 8.136 -5.492 524 2HB LYS 61 1HB LYS 61 -18.360 7.836 -6.134 525 1HG LYS 61 2HG LYS 61 -17.160 5.306 -6.022 526 2HG LYS 61 1HG LYS 61 -16.679 6.099 -4.521 527 1HD LYS 61 2HD LYS 61 -19.315 6.816 -4.678 528 2HD LYS 61 1HD LYS 61 -19.351 5.208 -5.404 529 1HE LYS 61 2HE LYS 61 -19.017 4.210 -3.409 530 2HE LYS 61 1HE LYS 61 -17.658 5.271 -3.036 531 1HZ LYS 61 1HZ LYS 61 -20.522 5.661 -2.478 532 2HZ LYS 61 2HZ LYS 61 -19.498 7.008 -2.629 533 3HZ LYS 61 3HZ LYS 61 -19.195 5.837 -1.437 534 H LYS 62 H LYS 62 -16.494 9.651 -6.647 535 HA LYS 62 HA LYS 62 -17.605 10.887 -9.080 536 1HB LYS 62 2HB LYS 62 -16.723 11.911 -6.387 537 2HB LYS 62 1HB LYS 62 -17.008 13.029 -7.721 538 1HG LYS 62 2HG LYS 62 -19.285 11.927 -8.003 539 2HG LYS 62 1HG LYS 62 -18.984 11.110 -6.468 540 1HD LYS 62 2HD LYS 62 -18.351 13.710 -5.847 541 2HD LYS 62 1HD LYS 62 -19.678 13.926 -6.990 542 1HE LYS 62 2HE LYS 62 -21.114 13.432 -5.330 543 2HE LYS 62 1HE LYS 62 -20.452 11.797 -5.305 544 1HZ LYS 62 1HZ LYS 62 -20.295 13.644 -3.293 545 2HZ LYS 62 2HZ LYS 62 -18.743 13.660 -3.985 546 3HZ LYS 62 3HZ LYS 62 -19.404 12.205 -3.407 547 H VAL 63 H VAL 63 -16.147 10.830 -10.763 548 HA VAL 63 HA VAL 63 -13.464 12.037 -10.232 549 HB VAL 63 HB VAL 63 -12.823 10.473 -12.282 550 1HG1 VAL 63 1HG1 VAL 63 -11.506 9.935 -10.513 551 2HG1 VAL 63 2HG1 VAL 63 -12.647 8.612 -10.264 552 3HG1 VAL 63 3HG1 VAL 63 -12.828 10.115 -9.359 553 1HG2 VAL 63 1HG2 VAL 63 -15.123 9.018 -10.936 554 2HG2 VAL 63 2HG2 VAL 63 -14.004 8.290 -12.089 555 3HG2 VAL 63 3HG2 VAL 63 -15.088 9.582 -12.606 556 H SER 64 H SER 64 -13.676 14.026 -11.179 557 HA SER 64 HA SER 64 -14.816 14.099 -13.946 558 1HB SER 64 2HB SER 64 -15.120 16.629 -13.279 559 2HB SER 64 1HB SER 64 -16.295 15.434 -12.736 560 HG SER 64 HG SER 64 -14.607 16.979 -11.296 Start of MODEL 2 1 1H THR 1 1HT THR 1 22.794 16.710 3.495 2 2H THR 1 2HT THR 1 24.030 17.672 2.835 3 3H THR 1 3HT THR 1 23.908 16.030 2.413 4 HA THR 1 HA THR 1 22.757 18.226 1.133 5 HB THR 1 HB THR 1 21.777 16.242 -0.254 6 HG1 THR 1 1HG THR 1 22.332 14.932 1.819 7 1HG2 THR 1 1HG2 THR 1 24.766 16.450 0.199 8 2HG2 THR 1 2HG2 THR 1 23.821 17.537 -0.819 9 3HG2 THR 1 3HG2 THR 1 23.973 15.834 -1.249 10 H ALA 2 H ALA 2 21.523 18.104 3.712 11 HA ALA 2 HA ALA 2 19.369 18.350 4.616 12 1HB ALA 2 1HB ALA 2 18.271 17.865 1.845 13 2HB ALA 2 2HB ALA 2 19.008 19.406 2.287 14 3HB ALA 2 3HB ALA 2 17.576 18.835 3.143 15 H GLN 3 H GLN 3 17.093 17.042 4.481 16 HA GLN 3 HA GLN 3 17.840 14.260 4.993 17 1HB GLN 3 2HB GLN 3 15.967 15.858 6.093 18 2HB GLN 3 1HB GLN 3 14.973 15.055 4.877 19 1HG GLN 3 2HG GLN 3 14.780 13.389 6.403 20 2HG GLN 3 1HG GLN 3 16.421 12.956 5.920 21 1HE2 GLN 3 1HE2 GLN 3 14.539 14.699 8.393 22 2HE2 GLN 3 2HE2 GLN 3 15.792 14.767 9.537 23 H LYS 4 H LYS 4 16.958 12.432 3.848 24 HA LYS 4 HA LYS 4 15.985 13.101 1.098 25 1HB LYS 4 2HB LYS 4 18.134 11.300 2.045 26 2HB LYS 4 1HB LYS 4 17.074 10.617 0.811 27 1HG LYS 4 2HG LYS 4 17.806 13.374 0.204 28 2HG LYS 4 1HG LYS 4 19.224 12.336 0.357 29 1HD LYS 4 2HD LYS 4 18.476 10.866 -1.342 30 2HD LYS 4 1HD LYS 4 16.828 11.492 -1.273 31 1HE LYS 4 2HE LYS 4 17.726 13.714 -2.065 32 2HE LYS 4 1HE LYS 4 19.282 12.924 -2.323 33 1HZ LYS 4 1HZ LYS 4 18.307 12.702 -4.368 34 2HZ LYS 4 2HZ LYS 4 16.738 12.531 -3.739 35 3HZ LYS 4 3HZ LYS 4 17.840 11.241 -3.645 36 H LYS 5 H LYS 5 13.820 12.935 2.192 37 HA LYS 5 HA LYS 5 11.839 11.734 2.570 38 1HB LYS 5 2HB LYS 5 12.157 10.694 0.447 39 2HB LYS 5 1HB LYS 5 13.488 9.709 1.046 40 1HG LYS 5 2HG LYS 5 11.546 8.287 0.891 41 2HG LYS 5 1HG LYS 5 11.855 8.581 2.601 42 1HD LYS 5 2HD LYS 5 9.419 8.803 1.798 43 2HD LYS 5 1HD LYS 5 10.061 10.121 2.775 44 1HE LYS 5 2HE LYS 5 10.441 10.342 -0.169 45 2HE LYS 5 1HE LYS 5 8.793 10.531 0.428 46 1HZ LYS 5 1HZ LYS 5 10.032 12.049 2.166 47 2HZ LYS 5 2HZ LYS 5 9.521 12.650 0.662 48 3HZ LYS 5 3HZ LYS 5 11.143 12.203 0.895 49 HA PRO 6 HA PRO 6 13.432 9.796 6.354 50 1HB PRO 6 2HB PRO 6 11.478 10.878 7.954 51 2HB PRO 6 1HB PRO 6 12.967 11.735 7.521 52 1HG PRO 6 2HG PRO 6 10.197 12.169 6.517 53 2HG PRO 6 1HG PRO 6 11.550 13.308 6.601 54 1HD PRO 6 2HD PRO 6 10.651 11.938 4.279 55 2HD PRO 6 1HD PRO 6 12.161 12.860 4.440 56 H ARG 7 H ARG 7 12.839 7.657 6.588 57 HA ARG 7 HA ARG 7 11.475 5.728 6.484 58 1HB ARG 7 2HB ARG 7 10.078 7.712 8.252 59 2HB ARG 7 1HB ARG 7 9.269 6.193 7.868 60 1HG ARG 7 2HG ARG 7 10.679 4.977 9.164 61 2HG ARG 7 1HG ARG 7 12.096 5.873 8.616 62 1HD ARG 7 2HD ARG 7 11.907 7.465 10.277 63 2HD ARG 7 1HD ARG 7 10.155 7.296 10.384 64 HE ARG 7 HE ARG 7 11.081 4.872 11.324 65 1HH1 ARG 7 1HH1 ARG 7 11.158 8.192 12.163 66 2HH1 ARG 7 2HH1 ARG 7 11.788 7.923 13.754 67 1HH2 ARG 7 1HH2 ARG 7 12.146 4.501 13.320 68 2HH2 ARG 7 2HH2 ARG 7 12.347 5.833 14.409 69 H VAL 8 H VAL 8 11.042 5.776 4.197 70 HA VAL 8 HA VAL 8 9.137 7.331 2.864 71 HB VAL 8 HB VAL 8 9.755 4.408 2.369 72 1HG1 VAL 8 1HG1 VAL 8 7.704 5.647 1.268 73 2HG1 VAL 8 2HG1 VAL 8 8.759 4.639 0.278 74 3HG1 VAL 8 3HG1 VAL 8 8.953 6.392 0.272 75 1HG2 VAL 8 1HG2 VAL 8 11.469 6.612 2.285 76 2HG2 VAL 8 2HG2 VAL 8 10.982 6.375 0.606 77 3HG2 VAL 8 3HG2 VAL 8 11.736 5.055 1.500 78 H LEU 9 H LEU 9 7.020 7.602 3.329 79 HA LEU 9 HA LEU 9 5.557 5.468 4.769 80 1HB LEU 9 2HB LEU 9 5.369 7.888 5.454 81 2HB LEU 9 1HB LEU 9 4.571 8.207 3.914 82 HG LEU 9 HG LEU 9 3.037 6.178 4.667 83 1HD1 LEU 9 1HD1 LEU 9 2.743 6.043 7.060 84 2HD1 LEU 9 2HD1 LEU 9 3.881 7.363 7.326 85 3HD1 LEU 9 3HD1 LEU 9 4.459 5.809 6.724 86 1HD2 LEU 9 1HD2 LEU 9 1.431 7.769 5.104 87 2HD2 LEU 9 2HD2 LEU 9 2.676 8.837 4.456 88 3HD2 LEU 9 3HD2 LEU 9 2.476 8.673 6.201 89 H TRP 10 H TRP 10 5.524 7.212 1.688 90 HA TRP 10 HA TRP 10 4.331 4.976 0.299 91 1HB TRP 10 2HB TRP 10 2.593 7.274 1.152 92 2HB TRP 10 1HB TRP 10 2.293 6.502 -0.405 93 HD1 TRP 10 HD TRP 10 0.916 6.318 2.801 94 HE1 TRP 10 1HE TRP 10 0.097 3.959 3.440 95 HE3 TRP 10 3HE TRP 10 3.388 3.547 -0.704 96 HZ2 TRP 10 2HZ TRP 10 0.446 1.253 2.579 97 HZ3 TRP 10 3HZ TRP 10 3.127 1.083 -0.772 98 HH2 TRP 10 HH TRP 10 1.660 -0.067 0.864 99 H THR 11 H THR 11 6.415 5.654 -0.765 100 HA THR 11 HA THR 11 6.018 8.024 -2.549 101 HB THR 11 HB THR 11 8.440 8.119 -2.765 102 HG1 THR 11 1HG THR 11 8.210 5.625 -1.559 103 1HG2 THR 11 1HG2 THR 11 7.618 9.301 -0.853 104 2HG2 THR 11 2HG2 THR 11 9.040 8.412 -0.310 105 3HG2 THR 11 3HG2 THR 11 7.427 7.809 0.068 106 H HIS 12 H HIS 12 7.350 7.650 -4.708 107 HA HIS 12 HA HIS 12 6.053 5.601 -6.175 108 1HB HIS 12 2HB HIS 12 8.587 7.159 -6.722 109 2HB HIS 12 1HB HIS 12 7.883 6.041 -7.890 110 HD1 HIS 12 1HD HIS 12 7.793 9.502 -6.975 111 HD2 HIS 12 2HD HIS 12 4.940 6.776 -8.320 112 HE1 HIS 12 1HE HIS 12 5.854 10.872 -7.857 113 H GLU 13 H GLU 13 8.839 5.462 -4.129 114 HA GLU 13 HA GLU 13 9.913 3.012 -5.333 115 1HB GLU 13 2HB GLU 13 11.273 4.787 -4.090 116 2HB GLU 13 1HB GLU 13 10.577 4.137 -2.606 117 1HG GLU 13 2HG GLU 13 11.637 2.069 -4.404 118 2HG GLU 13 1HG GLU 13 12.866 3.191 -3.820 119 H LEU 14 H LEU 14 8.553 3.763 -2.105 120 HA LEU 14 HA LEU 14 8.208 1.036 -1.341 121 1HB LEU 14 2HB LEU 14 7.174 3.672 -0.396 122 2HB LEU 14 1HB LEU 14 6.319 2.230 0.146 123 HG LEU 14 HG LEU 14 9.267 2.844 0.505 124 1HD1 LEU 14 1HD1 LEU 14 7.143 2.258 2.580 125 2HD1 LEU 14 2HD1 LEU 14 7.528 3.894 2.050 126 3HD1 LEU 14 3HD1 LEU 14 8.759 2.913 2.844 127 1HD2 LEU 14 1HD2 LEU 14 7.769 0.305 0.517 128 2HD2 LEU 14 2HD2 LEU 14 8.723 0.581 1.974 129 3HD2 LEU 14 3HD2 LEU 14 9.506 0.583 0.394 130 H HIS 15 H HIS 15 6.403 3.032 -3.490 131 HA HIS 15 HA HIS 15 3.907 1.534 -3.249 132 1HB HIS 15 2HB HIS 15 4.212 3.982 -4.033 133 2HB HIS 15 1HB HIS 15 4.688 3.283 -5.580 134 HD1 HIS 15 1HD HIS 15 2.426 4.417 -6.507 135 HD2 HIS 15 2HD HIS 15 1.898 1.283 -3.809 136 HE1 HIS 15 1HE HIS 15 0.014 3.679 -6.729 137 H ASN 16 H ASN 16 6.856 1.268 -5.081 138 HA ASN 16 HA ASN 16 5.783 -0.368 -7.211 139 1HB ASN 16 2HB ASN 16 8.554 0.181 -6.161 140 2HB ASN 16 1HB ASN 16 8.286 -1.041 -7.404 141 1HD2 ASN 16 1HD2 ASN 16 9.767 0.863 -8.459 142 2HD2 ASN 16 2HD2 ASN 16 8.881 2.005 -9.349 143 H LYS 17 H LYS 17 6.951 -1.008 -3.961 144 HA LYS 17 HA LYS 17 7.142 -3.893 -4.385 145 1HB LYS 17 2HB LYS 17 7.067 -2.246 -1.836 146 2HB LYS 17 1HB LYS 17 7.422 -3.973 -1.914 147 1HG LYS 17 2HG LYS 17 9.357 -3.495 -3.388 148 2HG LYS 17 1HG LYS 17 9.019 -1.769 -3.253 149 1HD LYS 17 2HD LYS 17 9.384 -1.845 -0.841 150 2HD LYS 17 1HD LYS 17 9.613 -3.594 -0.904 151 1HE LYS 17 2HE LYS 17 11.804 -2.594 -0.849 152 2HE LYS 17 1HE LYS 17 11.544 -3.188 -2.489 153 1HZ LYS 17 1HZ LYS 17 10.965 -0.994 -3.203 154 2HZ LYS 17 2HZ LYS 17 12.461 -0.917 -2.401 155 3HZ LYS 17 3HZ LYS 17 11.047 -0.394 -1.619 156 H PHE 18 H PHE 18 4.862 -1.708 -2.715 157 HA PHE 18 HA PHE 18 3.009 -3.819 -2.050 158 1HB PHE 18 2HB PHE 18 2.945 -1.748 -0.791 159 2HB PHE 18 1HB PHE 18 2.661 -0.814 -2.260 160 HD1 PHE 18 1HD PHE 18 0.476 -0.597 -3.193 161 HD2 PHE 18 2HD PHE 18 1.193 -3.382 -0.002 162 HE1 PHE 18 1HE PHE 18 -1.969 -0.942 -2.946 163 HE2 PHE 18 2HE PHE 18 -1.251 -3.727 0.245 164 HZ PHE 18 HZ PHE 18 -2.831 -2.508 -1.227 165 H LEU 19 H LEU 19 3.627 -1.957 -4.914 166 HA LEU 19 HA LEU 19 0.999 -2.414 -6.094 167 1HB LEU 19 2HB LEU 19 3.585 -1.212 -6.989 168 2HB LEU 19 1HB LEU 19 2.471 -1.779 -8.234 169 HG LEU 19 HG LEU 19 1.668 0.079 -5.979 170 1HD1 LEU 19 1HD1 LEU 19 2.338 0.714 -8.871 171 2HD1 LEU 19 2HD1 LEU 19 3.319 1.155 -7.474 172 3HD1 LEU 19 3HD1 LEU 19 1.717 1.862 -7.685 173 1HD2 LEU 19 1HD2 LEU 19 0.322 -0.761 -8.568 174 2HD2 LEU 19 2HD2 LEU 19 -0.305 0.452 -7.454 175 3HD2 LEU 19 3HD2 LEU 19 -0.172 -1.229 -6.941 176 H ALA 20 H ALA 20 4.211 -3.929 -6.350 177 HA ALA 20 HA ALA 20 3.318 -5.797 -8.400 178 1HB ALA 20 1HB ALA 20 5.489 -6.997 -7.753 179 2HB ALA 20 2HB ALA 20 5.768 -5.669 -6.627 180 3HB ALA 20 3HB ALA 20 5.666 -5.351 -8.360 181 H ALA 21 H ALA 21 3.251 -5.672 -4.928 182 HA ALA 21 HA ALA 21 2.851 -8.542 -4.579 183 1HB ALA 21 1HB ALA 21 2.112 -7.821 -2.256 184 2HB ALA 21 2HB ALA 21 2.423 -6.159 -2.754 185 3HB ALA 21 3HB ALA 21 3.745 -7.325 -2.700 186 H VAL 22 H VAL 22 0.768 -5.653 -4.661 187 HA VAL 22 HA VAL 22 -1.701 -7.055 -4.209 188 HB VAL 22 HB VAL 22 -1.296 -4.529 -5.836 189 1HG1 VAL 22 1HG1 VAL 22 -3.542 -5.294 -6.026 190 2HG1 VAL 22 2HG1 VAL 22 -3.578 -4.043 -4.785 191 3HG1 VAL 22 3HG1 VAL 22 -3.613 -5.745 -4.323 192 1HG2 VAL 22 1HG2 VAL 22 -2.011 -4.355 -2.969 193 2HG2 VAL 22 2HG2 VAL 22 -0.947 -3.328 -3.931 194 3HG2 VAL 22 3HG2 VAL 22 -0.357 -4.868 -3.306 195 H ASP 23 H ASP 23 -0.019 -6.015 -7.153 196 HA ASP 23 HA ASP 23 -1.907 -7.010 -9.037 197 1HB ASP 23 2HB ASP 23 0.187 -5.522 -9.382 198 2HB ASP 23 1HB ASP 23 1.069 -7.038 -9.490 199 H HIS 24 H HIS 24 0.953 -8.524 -7.572 200 HA HIS 24 HA HIS 24 0.827 -10.988 -8.983 201 1HB HIS 24 2HB HIS 24 2.753 -10.324 -7.585 202 2HB HIS 24 1HB HIS 24 1.762 -10.509 -6.138 203 HD1 HIS 24 1HD HIS 24 1.458 -12.914 -9.001 204 HD2 HIS 24 2HD HIS 24 3.228 -12.781 -5.229 205 HE1 HIS 24 1HE HIS 24 2.185 -15.281 -8.467 206 H LEU 25 H LEU 25 -1.157 -9.756 -6.398 207 HA LEU 25 HA LEU 25 -2.347 -12.472 -6.031 208 1HB LEU 25 2HB LEU 25 -2.891 -10.034 -4.332 209 2HB LEU 25 1HB LEU 25 -3.176 -11.727 -3.927 210 HG LEU 25 HG LEU 25 -0.386 -10.852 -4.581 211 1HD1 LEU 25 1HD1 LEU 25 -0.260 -9.449 -2.826 212 2HD1 LEU 25 2HD1 LEU 25 -0.763 -10.757 -1.757 213 3HD1 LEU 25 3HD1 LEU 25 -1.971 -9.703 -2.489 214 1HD2 LEU 25 1HD2 LEU 25 -1.218 -12.698 -2.369 215 2HD2 LEU 25 2HD2 LEU 25 0.204 -12.772 -3.411 216 3HD2 LEU 25 3HD2 LEU 25 -1.372 -13.258 -4.034 217 H GLY 26 H GLY 26 -2.869 -9.581 -7.684 218 1HA GLY 26 2HA GLY 26 -4.735 -9.077 -9.072 219 2HA GLY 26 1HA GLY 26 -5.631 -10.383 -8.292 220 H VAL 27 H VAL 27 -5.224 -7.032 -8.426 221 HA VAL 27 HA VAL 27 -5.764 -6.138 -5.818 222 HB VAL 27 HB VAL 27 -5.295 -4.536 -7.554 223 1HG1 VAL 27 1HG1 VAL 27 -6.089 -5.496 -9.543 224 2HG1 VAL 27 2HG1 VAL 27 -7.218 -4.166 -9.285 225 3HG1 VAL 27 3HG1 VAL 27 -7.686 -5.812 -8.863 226 1HG2 VAL 27 1HG2 VAL 27 -7.148 -2.949 -7.246 227 2HG2 VAL 27 2HG2 VAL 27 -6.806 -3.784 -5.731 228 3HG2 VAL 27 3HG2 VAL 27 -8.197 -4.260 -6.705 229 H GLU 28 H GLU 28 -7.785 -7.937 -7.949 230 HA GLU 28 HA GLU 28 -10.352 -7.127 -6.960 231 1HB GLU 28 2HB GLU 28 -9.366 -9.684 -8.242 232 2HB GLU 28 1HB GLU 28 -11.057 -9.430 -7.806 233 1HG GLU 28 2HG GLU 28 -11.368 -8.288 -9.717 234 2HG GLU 28 1HG GLU 28 -10.174 -7.101 -9.189 235 H ARG 29 H ARG 29 -8.187 -9.806 -6.007 236 HA ARG 29 HA ARG 29 -9.813 -10.057 -3.505 237 1HB ARG 29 2HB ARG 29 -8.405 -12.090 -5.210 238 2HB ARG 29 1HB ARG 29 -8.615 -12.400 -3.486 239 1HG ARG 29 2HG ARG 29 -11.101 -11.424 -4.424 240 2HG ARG 29 1HG ARG 29 -10.560 -12.620 -5.603 241 1HD ARG 29 2HD ARG 29 -10.108 -14.195 -3.692 242 2HD ARG 29 1HD ARG 29 -10.858 -13.018 -2.613 243 HE ARG 29 HE ARG 29 -12.333 -14.891 -4.041 244 1HH1 ARG 29 1HH2 ARG 29 -12.562 -12.703 -6.100 245 2HH1 ARG 29 2HH2 ARG 29 -13.995 -11.880 -5.584 246 1HH2 ARG 29 1HH1 ARG 29 -13.987 -13.299 -2.419 247 2HH2 ARG 29 2HH1 ARG 29 -14.803 -12.217 -3.498 248 H ALA 30 H ALA 30 -7.211 -8.503 -4.394 249 HA ALA 30 HA ALA 30 -5.163 -9.589 -2.638 250 1HB ALA 30 1HB ALA 30 -4.140 -7.243 -3.061 251 2HB ALA 30 2HB ALA 30 -5.476 -7.024 -4.191 252 3HB ALA 30 3HB ALA 30 -4.315 -8.327 -4.441 253 H VAL 31 H VAL 31 -5.548 -9.566 -0.462 254 HA VAL 31 HA VAL 31 -6.970 -7.241 0.720 255 HB VAL 31 HB VAL 31 -6.923 -8.670 2.805 256 1HG1 VAL 31 1HG1 VAL 31 -8.807 -8.659 1.114 257 2HG1 VAL 31 2HG1 VAL 31 -8.672 -10.149 2.049 258 3HG1 VAL 31 3HG1 VAL 31 -8.077 -10.092 0.390 259 1HG2 VAL 31 1HG2 VAL 31 -5.874 -10.707 2.854 260 2HG2 VAL 31 2HG2 VAL 31 -4.884 -9.983 1.585 261 3HG2 VAL 31 3HG2 VAL 31 -6.229 -11.043 1.159 262 HA PRO 32 HA PRO 32 -3.273 -5.555 2.369 263 1HB PRO 32 2HB PRO 32 -4.230 -4.462 4.707 264 2HB PRO 32 1HB PRO 32 -4.531 -3.767 3.104 265 1HG PRO 32 2HG PRO 32 -6.390 -5.295 4.869 266 2HG PRO 32 1HG PRO 32 -6.760 -4.079 3.636 267 1HD PRO 32 2HD PRO 32 -7.019 -6.875 3.320 268 2HD PRO 32 1HD PRO 32 -7.037 -5.675 2.011 269 H LYS 33 H LYS 33 -5.121 -7.800 4.320 270 HA LYS 33 HA LYS 33 -3.183 -8.117 6.433 271 1HB LYS 33 2HB LYS 33 -5.426 -8.851 6.850 272 2HB LYS 33 1HB LYS 33 -5.434 -9.859 5.405 273 1HG LYS 33 2HG LYS 33 -3.298 -10.404 7.407 274 2HG LYS 33 1HG LYS 33 -4.942 -10.872 7.845 275 1HD LYS 33 2HD LYS 33 -5.052 -11.959 5.501 276 2HD LYS 33 1HD LYS 33 -3.295 -11.803 5.495 277 1HE LYS 33 2HE LYS 33 -3.363 -13.838 6.526 278 2HE LYS 33 1HE LYS 33 -3.690 -12.876 7.968 279 1HZ LYS 33 1HZ LYS 33 -5.696 -14.140 6.183 280 2HZ LYS 33 2HZ LYS 33 -6.078 -13.091 7.464 281 3HZ LYS 33 3HZ LYS 33 -5.333 -14.585 7.780 282 H LYS 34 H LYS 34 -3.894 -10.012 3.482 283 HA LYS 34 HA LYS 34 -1.678 -11.822 3.892 284 1HB LYS 34 2HB LYS 34 -3.263 -11.123 1.400 285 2HB LYS 34 1HB LYS 34 -2.077 -12.425 1.487 286 1HG LYS 34 2HG LYS 34 -4.406 -12.245 3.405 287 2HG LYS 34 1HG LYS 34 -4.522 -13.095 1.863 288 1HD LYS 34 2HD LYS 34 -2.455 -14.403 2.560 289 2HD LYS 34 1HD LYS 34 -2.655 -13.701 4.165 290 1HE LYS 34 2HE LYS 34 -5.056 -14.584 4.096 291 2HE LYS 34 1HE LYS 34 -4.561 -15.522 2.688 292 1HZ LYS 34 1HZ LYS 34 -4.367 -16.711 4.848 293 2HZ LYS 34 2HZ LYS 34 -3.152 -15.611 5.295 294 3HZ LYS 34 3HZ LYS 34 -2.922 -16.640 3.962 295 H ILE 35 H ILE 35 -2.117 -8.866 1.937 296 HA ILE 35 HA ILE 35 0.521 -8.972 0.799 297 HB ILE 35 HB ILE 35 -1.426 -6.702 1.231 298 1HG1 ILE 35 2HG1 ILE 35 -0.677 -8.593 -0.964 299 2HG1 ILE 35 1HG1 ILE 35 -2.263 -7.970 -0.522 300 1HG2 ILE 35 1HG2 ILE 35 0.113 -5.381 -0.251 301 2HG2 ILE 35 2HG2 ILE 35 1.305 -6.672 -0.099 302 3HG2 ILE 35 3HG2 ILE 35 0.818 -5.749 1.323 303 1HD1 ILE 35 1HD1 ILE 35 -2.003 -6.696 -2.394 304 2HD1 ILE 35 2HD1 ILE 35 -0.247 -6.859 -2.381 305 3HD1 ILE 35 3HD1 ILE 35 -1.031 -5.676 -1.333 306 H LEU 36 H LEU 36 -0.732 -7.998 3.891 307 HA LEU 36 HA LEU 36 1.334 -6.277 4.776 308 1HB LEU 36 2HB LEU 36 -0.610 -6.665 6.186 309 2HB LEU 36 1HB LEU 36 -0.232 -8.383 6.305 310 HG LEU 36 HG LEU 36 2.018 -7.647 7.308 311 1HD1 LEU 36 1HD1 LEU 36 0.450 -5.067 7.337 312 2HD1 LEU 36 2HD1 LEU 36 2.102 -5.338 6.781 313 3HD1 LEU 36 3HD1 LEU 36 1.734 -5.378 8.506 314 1HD2 LEU 36 1HD2 LEU 36 -0.119 -6.746 9.164 315 2HD2 LEU 36 2HD2 LEU 36 1.113 -7.988 9.385 316 3HD2 LEU 36 3HD2 LEU 36 -0.341 -8.346 8.454 317 H ASP 37 H ASP 37 1.224 -9.768 4.351 318 HA ASP 37 HA ASP 37 3.809 -10.212 5.647 319 1HB ASP 37 2HB ASP 37 1.834 -11.859 4.123 320 2HB ASP 37 1HB ASP 37 3.503 -12.427 4.165 321 H LEU 38 H LEU 38 2.593 -9.571 2.418 322 HA LEU 38 HA LEU 38 4.900 -10.239 0.898 323 1HB LEU 38 2HB LEU 38 2.607 -8.332 0.535 324 2HB LEU 38 1HB LEU 38 3.962 -8.279 -0.592 325 HG LEU 38 HG LEU 38 2.806 -10.952 0.056 326 1HD1 LEU 38 1HD1 LEU 38 0.742 -10.456 -0.693 327 2HD1 LEU 38 2HD1 LEU 38 1.442 -9.945 -2.229 328 3HD1 LEU 38 3HD1 LEU 38 1.213 -8.773 -0.931 329 1HD2 LEU 38 1HD2 LEU 38 4.094 -11.496 -1.714 330 2HD2 LEU 38 2HD2 LEU 38 4.640 -9.820 -1.787 331 3HD2 LEU 38 3HD2 LEU 38 3.239 -10.333 -2.727 332 H MET 39 H MET 39 4.062 -7.314 2.730 333 HA MET 39 HA MET 39 6.502 -5.949 1.805 334 1HB MET 39 2HB MET 39 4.261 -5.211 3.689 335 2HB MET 39 1HB MET 39 5.704 -4.209 3.528 336 1HG MET 39 2HG MET 39 4.993 -4.734 0.895 337 2HG MET 39 1HG MET 39 3.439 -4.507 1.698 338 1HE MET 39 1HE MET 39 6.239 -2.894 -0.081 339 2HE MET 39 2HE MET 39 5.473 -1.310 -0.172 340 3HE MET 39 3HE MET 39 4.552 -2.751 -0.598 341 H ASN 40 H ASN 40 5.252 -7.259 4.886 342 HA ASN 40 HA ASN 40 6.399 -7.797 6.867 343 1HB ASN 40 2HB ASN 40 7.468 -9.272 4.904 344 2HB ASN 40 1HB ASN 40 8.889 -8.302 5.293 345 1HD2 ASN 40 1HD2 ASN 40 9.820 -8.529 7.455 346 2HD2 ASN 40 2HD2 ASN 40 9.406 -9.833 8.460 347 H VAL 41 H VAL 41 6.618 -5.034 5.680 348 HA VAL 41 HA VAL 41 9.298 -4.106 6.379 349 HB VAL 41 HB VAL 41 6.726 -2.632 5.762 350 1HG1 VAL 41 1HG1 VAL 41 8.198 -0.632 5.554 351 2HG1 VAL 41 2HG1 VAL 41 9.540 -1.586 6.188 352 3HG1 VAL 41 3HG1 VAL 41 8.136 -1.251 7.203 353 1HG2 VAL 41 1HG2 VAL 41 9.204 -2.627 4.072 354 2HG2 VAL 41 2HG2 VAL 41 7.521 -2.436 3.583 355 3HG2 VAL 41 3HG2 VAL 41 8.138 -4.031 4.013 356 H ASP 42 H ASP 42 9.707 -2.575 8.141 357 HA ASP 42 HA ASP 42 8.184 -3.313 10.563 358 1HB ASP 42 2HB ASP 42 10.020 -1.879 11.665 359 2HB ASP 42 1HB ASP 42 10.536 -3.381 10.897 360 H LYS 43 H LYS 43 7.084 -1.781 11.852 361 HA LYS 43 HA LYS 43 6.065 0.279 12.387 362 1HB LYS 43 2HB LYS 43 8.363 1.147 11.378 363 2HB LYS 43 1HB LYS 43 7.329 1.631 10.033 364 1HG LYS 43 2HG LYS 43 6.289 3.257 11.247 365 2HG LYS 43 1HG LYS 43 6.286 2.291 12.723 366 1HD LYS 43 2HD LYS 43 8.942 3.206 11.752 367 2HD LYS 43 1HD LYS 43 7.875 4.450 12.402 368 1HE LYS 43 2HE LYS 43 7.706 2.206 14.143 369 2HE LYS 43 1HE LYS 43 9.417 2.506 13.838 370 1HZ LYS 43 1HZ LYS 43 9.179 4.752 14.522 371 2HZ LYS 43 2HZ LYS 43 8.463 3.786 15.723 372 3HZ LYS 43 3HZ LYS 43 7.489 4.623 14.610 373 H LEU 44 H LEU 44 5.740 -1.498 9.597 374 HA LEU 44 HA LEU 44 3.636 0.241 8.436 375 1HB LEU 44 2HB LEU 44 5.156 -2.166 7.508 376 2HB LEU 44 1HB LEU 44 3.556 -1.876 6.824 377 HG LEU 44 HG LEU 44 5.909 0.036 6.805 378 1HD1 LEU 44 1HD1 LEU 44 4.748 -0.419 4.247 379 2HD1 LEU 44 2HD1 LEU 44 4.971 -1.995 5.005 380 3HD1 LEU 44 3HD1 LEU 44 6.347 -0.908 4.810 381 1HD2 LEU 44 1HD2 LEU 44 4.318 1.651 6.781 382 2HD2 LEU 44 2HD2 LEU 44 3.020 0.477 6.566 383 3HD2 LEU 44 3HD2 LEU 44 3.919 1.063 5.167 384 H THR 45 H THR 45 1.741 0.069 9.555 385 HA THR 45 HA THR 45 0.950 -2.522 10.727 386 HB THR 45 HB THR 45 -1.000 -1.202 11.592 387 HG1 THR 45 1HG THR 45 -0.569 0.340 9.675 388 1HG2 THR 45 1HG2 THR 45 0.469 -0.988 13.289 389 2HG2 THR 45 2HG2 THR 45 0.856 0.602 12.630 390 3HG2 THR 45 3HG2 THR 45 1.826 -0.800 12.177 391 H ARG 46 H ARG 46 -1.549 -3.002 10.392 392 HA ARG 46 HA ARG 46 -1.891 -3.456 7.528 393 1HB ARG 46 2HB ARG 46 -3.026 -4.474 10.002 394 2HB ARG 46 1HB ARG 46 -4.289 -4.119 8.822 395 1HG ARG 46 2HG ARG 46 -3.007 -5.423 7.120 396 2HG ARG 46 1HG ARG 46 -1.845 -5.857 8.374 397 1HD ARG 46 2HD ARG 46 -4.583 -6.358 9.234 398 2HD ARG 46 1HD ARG 46 -4.193 -7.239 7.756 399 HE ARG 46 HE ARG 46 -2.036 -7.862 9.219 400 1HH1 ARG 46 1HH1 ARG 46 -5.416 -8.038 9.741 401 2HH1 ARG 46 2HH1 ARG 46 -5.290 -9.011 11.168 402 1HH2 ARG 46 1HH2 ARG 46 -1.825 -8.929 11.239 403 2HH2 ARG 46 2HH2 ARG 46 -3.256 -9.517 12.015 404 H GLU 47 H GLU 47 -3.041 -1.144 9.874 405 HA GLU 47 HA GLU 47 -5.315 -0.258 8.285 406 1HB GLU 47 2HB GLU 47 -4.991 0.036 10.820 407 2HB GLU 47 1HB GLU 47 -3.901 1.361 10.410 408 1HG GLU 47 2HG GLU 47 -6.224 1.714 8.826 409 2HG GLU 47 1HG GLU 47 -6.781 1.356 10.462 410 H ASN 48 H ASN 48 -1.909 0.419 8.343 411 HA ASN 48 HA ASN 48 -2.052 3.006 7.051 412 1HB ASN 48 2HB ASN 48 0.115 0.971 7.512 413 2HB ASN 48 1HB ASN 48 0.400 2.328 6.420 414 1HD2 ASN 48 1HD2 ASN 48 -1.536 2.294 9.450 415 2HD2 ASN 48 2HD2 ASN 48 -0.600 3.468 10.240 416 H VAL 49 H VAL 49 -1.556 -0.323 5.866 417 HA VAL 49 HA VAL 49 -1.484 0.600 3.081 418 HB VAL 49 HB VAL 49 -1.527 -2.164 4.327 419 1HG1 VAL 49 1HG1 VAL 49 -2.273 -2.812 2.281 420 2HG1 VAL 49 2HG1 VAL 49 -0.632 -2.454 1.744 421 3HG1 VAL 49 3HG1 VAL 49 -1.905 -1.248 1.553 422 1HG2 VAL 49 1HG2 VAL 49 0.742 -1.154 2.697 423 2HG2 VAL 49 2HG2 VAL 49 0.759 -2.120 4.173 424 3HG2 VAL 49 3HG2 VAL 49 0.513 -0.376 4.263 425 H ALA 50 H ALA 50 -3.822 -0.639 5.356 426 HA ALA 50 HA ALA 50 -5.798 -1.347 3.346 427 1HB ALA 50 1HB ALA 50 -5.609 -2.171 5.813 428 2HB ALA 50 2HB ALA 50 -7.215 -1.865 5.151 429 3HB ALA 50 3HB ALA 50 -6.455 -0.676 6.208 430 H SER 51 H SER 51 -4.782 1.576 4.875 431 HA SER 51 HA SER 51 -7.287 3.017 4.467 432 1HB SER 51 2HB SER 51 -4.490 3.793 5.263 433 2HB SER 51 1HB SER 51 -5.665 5.033 4.832 434 HG SER 51 HG SER 51 -6.161 2.973 6.719 435 H HIS 52 H HIS 52 -4.120 2.907 2.816 436 HA HIS 52 HA HIS 52 -4.780 4.800 0.778 437 1HB HIS 52 2HB HIS 52 -2.467 3.954 1.282 438 2HB HIS 52 1HB HIS 52 -2.915 2.422 0.534 439 HD1 HIS 52 1HD HIS 52 -3.404 2.450 -2.051 440 HD2 HIS 52 2HD HIS 52 -1.961 6.055 -0.535 441 HE1 HIS 52 1HE HIS 52 -2.713 3.842 -4.051 442 H LEU 53 H LEU 53 -5.570 1.426 1.210 443 HA LEU 53 HA LEU 53 -6.414 1.039 -1.567 444 1HB LEU 53 2HB LEU 53 -5.591 -0.860 -0.229 445 2HB LEU 53 1HB LEU 53 -6.918 -0.636 0.912 446 HG LEU 53 HG LEU 53 -8.501 -0.930 -1.062 447 1HD1 LEU 53 1HD1 LEU 53 -7.681 -1.242 -3.140 448 2HD1 LEU 53 2HD1 LEU 53 -6.567 -2.489 -2.577 449 3HD1 LEU 53 3HD1 LEU 53 -6.102 -0.789 -2.497 450 1HD2 LEU 53 1HD2 LEU 53 -6.777 -2.998 0.202 451 2HD2 LEU 53 2HD2 LEU 53 -7.714 -3.516 -1.200 452 3HD2 LEU 53 3HD2 LEU 53 -8.533 -2.842 0.208 453 H GLN 54 H GLN 54 -7.828 2.212 1.378 454 HA GLN 54 HA GLN 54 -10.589 1.742 0.547 455 1HB GLN 54 2HB GLN 54 -9.258 3.215 2.808 456 2HB GLN 54 1HB GLN 54 -10.976 3.454 2.489 457 1HG GLN 54 2HG GLN 54 -10.468 0.653 2.366 458 2HG GLN 54 1HG GLN 54 -9.712 1.265 3.837 459 1HE2 GLN 54 1HE2 GLN 54 -11.602 3.457 4.280 460 2HE2 GLN 54 2HE2 GLN 54 -13.081 2.757 4.728 461 H LYS 55 H LYS 55 -8.232 4.328 0.242 462 HA LYS 55 HA LYS 55 -10.239 6.277 -0.641 463 1HB LYS 55 2HB LYS 55 -7.276 6.261 -0.244 464 2HB LYS 55 1HB LYS 55 -7.953 7.458 -1.349 465 1HG LYS 55 2HG LYS 55 -9.677 7.572 0.815 466 2HG LYS 55 1HG LYS 55 -8.103 7.333 1.574 467 1HD LYS 55 2HD LYS 55 -7.959 9.256 -0.610 468 2HD LYS 55 1HD LYS 55 -9.120 9.753 0.622 469 1HE LYS 55 2HE LYS 55 -6.379 8.760 1.390 470 2HE LYS 55 1HE LYS 55 -6.643 10.447 0.948 471 1HZ LYS 55 1HZ LYS 55 -8.643 9.566 2.748 472 2HZ LYS 55 2HZ LYS 55 -7.535 10.843 2.918 473 3HZ LYS 55 3HZ LYS 55 -7.106 9.272 3.402 474 H PHE 56 H PHE 56 -8.155 3.890 -2.098 475 HA PHE 56 HA PHE 56 -8.359 5.039 -4.786 476 1HB PHE 56 2HB PHE 56 -6.458 3.536 -3.884 477 2HB PHE 56 1HB PHE 56 -7.576 2.195 -4.134 478 HD1 PHE 56 1HD PHE 56 -7.625 1.149 -6.220 479 HD2 PHE 56 2HD PHE 56 -6.229 5.201 -5.931 480 HE1 PHE 56 1HE PHE 56 -7.053 1.124 -8.633 481 HE2 PHE 56 2HE PHE 56 -5.659 5.176 -8.345 482 HZ PHE 56 HZ PHE 56 -6.070 3.138 -9.696 483 H ARG 57 H ARG 57 -9.751 2.192 -3.111 484 HA ARG 57 HA ARG 57 -11.387 1.305 -5.257 485 1HB ARG 57 2HB ARG 57 -10.989 0.176 -2.974 486 2HB ARG 57 1HB ARG 57 -12.247 1.246 -2.354 487 1HG ARG 57 2HG ARG 57 -13.877 0.343 -3.876 488 2HG ARG 57 1HG ARG 57 -12.641 -0.558 -4.753 489 1HD ARG 57 2HD ARG 57 -12.320 -1.381 -2.109 490 2HD ARG 57 1HD ARG 57 -14.069 -1.281 -2.314 491 HE ARG 57 HE ARG 57 -13.897 -3.225 -3.618 492 1HH1 ARG 57 1HH2 ARG 57 -10.769 -2.198 -2.937 493 2HH1 ARG 57 2HH2 ARG 57 -10.036 -2.952 -4.313 494 1HH2 ARG 57 1HH1 ARG 57 -13.053 -3.855 -5.760 495 2HH2 ARG 57 2HH1 ARG 57 -11.328 -3.888 -5.912 496 H VAL 58 H VAL 58 -11.936 3.769 -2.764 497 HA VAL 58 HA VAL 58 -14.635 4.397 -3.542 498 HB VAL 58 HB VAL 58 -12.486 5.981 -2.112 499 1HG1 VAL 58 1HG1 VAL 58 -15.025 6.861 -3.275 500 2HG1 VAL 58 2HG1 VAL 58 -13.699 7.821 -2.619 501 3HG1 VAL 58 3HG1 VAL 58 -14.930 7.166 -1.540 502 1HG2 VAL 58 1HG2 VAL 58 -13.674 3.918 -1.091 503 2HG2 VAL 58 2HG2 VAL 58 -15.108 4.942 -1.034 504 3HG2 VAL 58 3HG2 VAL 58 -13.660 5.402 -0.138 505 H ALA 59 H ALA 59 -11.465 5.342 -4.681 506 HA ALA 59 HA ALA 59 -12.509 7.444 -6.442 507 1HB ALA 59 1HB ALA 59 -9.872 6.597 -7.183 508 2HB ALA 59 2HB ALA 59 -9.954 6.694 -5.424 509 3HB ALA 59 3HB ALA 59 -10.356 8.104 -6.404 510 H LEU 60 H LEU 60 -12.254 4.071 -6.489 511 HA LEU 60 HA LEU 60 -12.081 3.910 -9.443 512 1HB LEU 60 2HB LEU 60 -11.731 2.015 -7.163 513 2HB LEU 60 1HB LEU 60 -12.286 1.347 -8.695 514 HG LEU 60 HG LEU 60 -9.790 3.013 -8.270 515 1HD1 LEU 60 1HD1 LEU 60 -8.980 0.668 -9.364 516 2HD1 LEU 60 2HD1 LEU 60 -10.376 0.107 -8.446 517 3HD1 LEU 60 3HD1 LEU 60 -9.058 0.942 -7.623 518 1HD2 LEU 60 1HD2 LEU 60 -10.109 3.551 -10.453 519 2HD2 LEU 60 2HD2 LEU 60 -11.366 2.331 -10.657 520 3HD2 LEU 60 3HD2 LEU 60 -9.666 1.877 -10.788 521 H LYS 61 H LYS 61 -14.466 4.515 -7.300 522 HA LYS 61 HA LYS 61 -16.452 2.669 -8.507 523 1HB LYS 61 2HB LYS 61 -17.924 3.305 -6.752 524 2HB LYS 61 1HB LYS 61 -16.339 3.186 -5.990 525 1HG LYS 61 2HG LYS 61 -16.070 5.675 -6.386 526 2HG LYS 61 1HG LYS 61 -17.764 5.707 -6.876 527 1HD LYS 61 2HD LYS 61 -17.927 4.334 -4.516 528 2HD LYS 61 1HD LYS 61 -16.593 5.438 -4.179 529 1HE LYS 61 2HE LYS 61 -17.914 7.326 -4.395 530 2HE LYS 61 1HE LYS 61 -19.032 6.543 -5.512 531 1HZ LYS 61 1HZ LYS 61 -19.206 6.776 -2.700 532 2HZ LYS 61 2HZ LYS 61 -19.181 5.134 -3.137 533 3HZ LYS 61 3HZ LYS 61 -20.354 6.172 -3.793 534 H LYS 62 H LYS 62 -15.226 5.809 -8.963 535 HA LYS 62 HA LYS 62 -17.603 6.470 -10.650 536 1HB LYS 62 2HB LYS 62 -17.107 8.901 -10.073 537 2HB LYS 62 1HB LYS 62 -17.770 7.931 -8.757 538 1HG LYS 62 2HG LYS 62 -14.914 7.654 -8.751 539 2HG LYS 62 1HG LYS 62 -15.317 9.371 -8.792 540 1HD LYS 62 2HD LYS 62 -17.133 8.254 -6.972 541 2HD LYS 62 1HD LYS 62 -15.592 7.477 -6.607 542 1HE LYS 62 2HE LYS 62 -15.317 9.385 -5.351 543 2HE LYS 62 1HE LYS 62 -14.711 9.995 -6.891 544 1HZ LYS 62 1HZ LYS 62 -16.364 11.469 -5.865 545 2HZ LYS 62 2HZ LYS 62 -17.523 10.231 -5.965 546 3HZ LYS 62 3HZ LYS 62 -16.865 10.899 -7.382 547 H VAL 63 H VAL 63 -14.114 6.716 -10.151 548 HA VAL 63 HA VAL 63 -13.394 8.300 -12.363 549 HB VAL 63 HB VAL 63 -11.846 7.337 -10.595 550 1HG1 VAL 63 1HG1 VAL 63 -12.825 4.956 -11.145 551 2HG1 VAL 63 2HG1 VAL 63 -11.124 5.120 -10.706 552 3HG1 VAL 63 3HG1 VAL 63 -11.585 4.949 -12.400 553 1HG2 VAL 63 1HG2 VAL 63 -10.015 7.625 -11.982 554 2HG2 VAL 63 2HG2 VAL 63 -11.273 8.300 -13.017 555 3HG2 VAL 63 3HG2 VAL 63 -10.710 6.649 -13.276 556 H SER 64 H SER 64 -12.716 7.667 -14.537 557 HA SER 64 HA SER 64 -14.521 5.693 -15.711 558 1HB SER 64 2HB SER 64 -12.762 7.837 -16.668 559 2HB SER 64 1HB SER 64 -12.732 6.410 -17.700 560 HG SER 64 HG SER 64 -14.806 6.679 -18.156 Start of MODEL 3 1 1H THR 1 1HT THR 1 20.063 15.366 5.364 2 2H THR 1 2HT THR 1 20.869 16.299 4.194 3 3H THR 1 3HT THR 1 21.623 15.955 5.678 4 HA THR 1 HA THR 1 20.826 13.839 3.766 5 HB THR 1 HB THR 1 23.298 13.821 3.189 6 HG1 THR 1 1HG THR 1 23.698 15.267 5.080 7 1HG2 THR 1 1HG2 THR 1 22.107 16.463 2.406 8 2HG2 THR 1 2HG2 THR 1 21.325 14.968 1.892 9 3HG2 THR 1 3HG2 THR 1 22.990 15.302 1.414 10 H ALA 2 H ALA 2 20.563 13.988 6.673 11 HA ALA 2 HA ALA 2 22.818 12.311 7.632 12 1HB ALA 2 1HB ALA 2 20.681 12.792 9.555 13 2HB ALA 2 2HB ALA 2 21.270 14.296 8.849 14 3HB ALA 2 3HB ALA 2 22.392 13.205 9.661 15 H GLN 3 H GLN 3 22.565 10.139 8.048 16 HA GLN 3 HA GLN 3 21.535 8.032 8.150 17 1HB GLN 3 2HB GLN 3 19.480 9.920 9.074 18 2HB GLN 3 1HB GLN 3 18.816 8.450 8.362 19 1HG GLN 3 2HG GLN 3 19.148 7.602 10.456 20 2HG GLN 3 1HG GLN 3 20.803 7.392 9.883 21 1HE2 GLN 3 1HE2 GLN 3 21.071 7.646 12.424 22 2HE2 GLN 3 2HE2 GLN 3 21.342 9.229 12.975 23 H LYS 4 H LYS 4 21.663 7.096 6.154 24 HA LYS 4 HA LYS 4 20.530 8.193 3.767 25 1HB LYS 4 2HB LYS 4 22.370 6.330 4.138 26 2HB LYS 4 1HB LYS 4 20.983 5.242 4.050 27 1HG LYS 4 2HG LYS 4 20.815 7.227 1.958 28 2HG LYS 4 1HG LYS 4 22.372 6.403 1.886 29 1HD LYS 4 2HD LYS 4 20.257 4.502 2.422 30 2HD LYS 4 1HD LYS 4 19.898 5.424 0.962 31 1HE LYS 4 2HE LYS 4 21.372 4.144 -0.155 32 2HE LYS 4 1HE LYS 4 22.657 4.816 0.849 33 1HZ LYS 4 1HZ LYS 4 21.005 2.682 1.977 34 2HZ LYS 4 2HZ LYS 4 22.648 3.031 2.230 35 3HZ LYS 4 3HZ LYS 4 22.152 2.254 0.803 36 H LYS 5 H LYS 5 18.896 6.763 2.434 37 HA LYS 5 HA LYS 5 16.669 6.049 2.234 38 1HB LYS 5 2HB LYS 5 17.381 4.008 3.269 39 2HB LYS 5 1HB LYS 5 17.464 4.769 4.858 40 1HG LYS 5 2HG LYS 5 15.266 4.427 5.234 41 2HG LYS 5 1HG LYS 5 14.829 5.081 3.656 42 1HD LYS 5 2HD LYS 5 14.413 3.001 2.915 43 2HD LYS 5 1HD LYS 5 16.094 2.564 3.220 44 1HE LYS 5 2HE LYS 5 15.034 1.054 4.620 45 2HE LYS 5 1HE LYS 5 15.239 2.408 5.731 46 1HZ LYS 5 1HZ LYS 5 12.883 2.785 4.249 47 2HZ LYS 5 2HZ LYS 5 13.055 2.560 5.924 48 3HZ LYS 5 3HZ LYS 5 12.860 1.219 4.899 49 HA PRO 6 HA PRO 6 15.028 9.468 4.712 50 1HB PRO 6 2HB PRO 6 13.255 10.271 2.769 51 2HB PRO 6 1HB PRO 6 14.952 10.780 2.819 52 1HG PRO 6 2HG PRO 6 13.639 8.798 1.017 53 2HG PRO 6 1HG PRO 6 15.078 9.793 0.733 54 1HD PRO 6 2HD PRO 6 15.079 7.050 1.419 55 2HD PRO 6 1HD PRO 6 16.482 8.140 1.481 56 H ARG 7 H ARG 7 12.997 9.651 5.806 57 HA ARG 7 HA ARG 7 11.570 7.392 6.483 58 1HB ARG 7 2HB ARG 7 9.580 9.031 6.833 59 2HB ARG 7 1HB ARG 7 11.067 9.322 7.737 60 1HG ARG 7 2HG ARG 7 11.772 11.019 6.176 61 2HG ARG 7 1HG ARG 7 10.455 10.623 5.071 62 1HD ARG 7 2HD ARG 7 9.481 11.222 7.755 63 2HD ARG 7 1HD ARG 7 10.388 12.569 7.066 64 HE ARG 7 HE ARG 7 8.566 11.562 5.101 65 1HH1 ARG 7 1HH2 ARG 7 7.386 11.954 8.077 66 2HH1 ARG 7 2HH2 ARG 7 6.519 13.428 7.802 67 1HH2 ARG 7 1HH1 ARG 7 8.012 14.043 4.733 68 2HH2 ARG 7 2HH1 ARG 7 6.873 14.611 5.908 69 H VAL 8 H VAL 8 10.710 5.934 5.079 70 HA VAL 8 HA VAL 8 9.388 6.912 2.609 71 HB VAL 8 HB VAL 8 10.509 4.288 3.536 72 1HG1 VAL 8 1HG1 VAL 8 8.291 3.599 2.871 73 2HG1 VAL 8 2HG1 VAL 8 9.389 3.203 1.549 74 3HG1 VAL 8 3HG1 VAL 8 8.349 4.623 1.437 75 1HG2 VAL 8 1HG2 VAL 8 11.775 4.444 1.585 76 2HG2 VAL 8 2HG2 VAL 8 11.565 6.147 1.992 77 3HG2 VAL 8 3HG2 VAL 8 10.555 5.405 0.750 78 H LEU 9 H LEU 9 7.297 7.512 3.021 79 HA LEU 9 HA LEU 9 5.658 5.758 4.793 80 1HB LEU 9 2HB LEU 9 5.900 8.290 5.225 81 2HB LEU 9 1HB LEU 9 4.887 8.502 3.798 82 HG LEU 9 HG LEU 9 3.221 6.916 4.889 83 1HD1 LEU 9 1HD1 LEU 9 4.919 7.514 7.332 84 2HD1 LEU 9 2HD1 LEU 9 4.852 5.955 6.512 85 3HD1 LEU 9 3HD1 LEU 9 3.414 6.596 7.307 86 1HD2 LEU 9 1HD2 LEU 9 2.254 8.924 5.250 87 2HD2 LEU 9 2HD2 LEU 9 3.822 9.698 5.472 88 3HD2 LEU 9 3HD2 LEU 9 3.018 8.931 6.841 89 H TRP 10 H TRP 10 5.433 7.618 1.746 90 HA TRP 10 HA TRP 10 4.104 5.406 0.399 91 1HB TRP 10 2HB TRP 10 2.534 7.834 1.279 92 2HB TRP 10 1HB TRP 10 2.045 6.873 -0.116 93 HD1 TRP 10 HD TRP 10 1.269 7.133 3.355 94 HE1 TRP 10 1HE TRP 10 0.407 4.914 4.342 95 HE3 TRP 10 3HE TRP 10 2.736 3.903 -0.319 96 HZ2 TRP 10 2HZ TRP 10 0.346 2.136 3.663 97 HZ3 TRP 10 3HZ TRP 10 2.263 1.479 -0.124 98 HH2 TRP 10 HH TRP 10 1.071 0.592 1.861 99 H THR 11 H THR 11 6.148 6.041 -0.793 100 HA THR 11 HA THR 11 5.665 8.410 -2.558 101 HB THR 11 HB THR 11 8.101 8.453 -2.913 102 HG1 THR 11 1HG THR 11 9.135 6.968 -1.169 103 1HG2 THR 11 1HG2 THR 11 7.827 8.224 0.055 104 2HG2 THR 11 2HG2 THR 11 6.835 9.414 -0.786 105 3HG2 THR 11 3HG2 THR 11 8.593 9.489 -0.905 106 H HIS 12 H HIS 12 6.862 8.043 -4.776 107 HA HIS 12 HA HIS 12 5.547 6.069 -6.246 108 1HB HIS 12 2HB HIS 12 7.208 8.057 -6.935 109 2HB HIS 12 1HB HIS 12 8.345 6.714 -7.065 110 HD1 HIS 12 1HD HIS 12 4.654 7.013 -8.019 111 HD2 HIS 12 2HD HIS 12 8.309 5.932 -9.706 112 HE1 HIS 12 1HE HIS 12 4.155 6.251 -10.382 113 H GLU 13 H GLU 13 8.480 5.786 -4.328 114 HA GLU 13 HA GLU 13 9.316 3.226 -5.345 115 1HB GLU 13 2HB GLU 13 10.629 4.914 -3.888 116 2HB GLU 13 1HB GLU 13 9.782 4.188 -2.525 117 1HG GLU 13 2HG GLU 13 10.833 2.132 -4.274 118 2HG GLU 13 1HG GLU 13 12.119 3.226 -3.761 119 H LEU 14 H LEU 14 7.500 4.152 -2.413 120 HA LEU 14 HA LEU 14 6.946 1.487 -1.553 121 1HB LEU 14 2HB LEU 14 5.796 4.190 -1.008 122 2HB LEU 14 1HB LEU 14 4.845 2.783 -0.532 123 HG LEU 14 HG LEU 14 7.721 3.314 0.254 124 1HD1 LEU 14 1HD1 LEU 14 6.471 3.273 2.580 125 2HD1 LEU 14 2HD1 LEU 14 5.069 3.708 1.603 126 3HD1 LEU 14 3HD1 LEU 14 6.492 4.751 1.618 127 1HD2 LEU 14 1HD2 LEU 14 5.938 0.954 0.414 128 2HD2 LEU 14 2HD2 LEU 14 6.800 1.347 1.902 129 3HD2 LEU 14 3HD2 LEU 14 7.700 1.035 0.417 130 H HIS 15 H HIS 15 5.560 3.446 -4.066 131 HA HIS 15 HA HIS 15 3.041 2.035 -4.263 132 1HB HIS 15 2HB HIS 15 3.619 4.341 -5.235 133 2HB HIS 15 1HB HIS 15 4.443 3.467 -6.527 134 HD1 HIS 15 1HD HIS 15 1.318 2.075 -4.998 135 HD2 HIS 15 2HD HIS 15 2.431 4.149 -8.438 136 HE1 HIS 15 1HE HIS 15 -0.671 1.984 -6.563 137 H ASN 16 H ASN 16 6.278 1.454 -5.439 138 HA ASN 16 HA ASN 16 5.541 -0.431 -7.505 139 1HB ASN 16 2HB ASN 16 8.064 0.335 -6.089 140 2HB ASN 16 1HB ASN 16 8.035 -1.197 -6.962 141 1HD2 ASN 16 1HD2 ASN 16 8.768 2.034 -7.385 142 2HD2 ASN 16 2HD2 ASN 16 8.532 2.150 -9.062 143 H LYS 17 H LYS 17 6.340 -0.714 -4.060 144 HA LYS 17 HA LYS 17 6.324 -3.616 -4.070 145 1HB LYS 17 2HB LYS 17 5.791 -1.829 -1.685 146 2HB LYS 17 1HB LYS 17 6.473 -3.456 -1.685 147 1HG LYS 17 2HG LYS 17 8.384 -2.472 -3.097 148 2HG LYS 17 1HG LYS 17 7.763 -0.890 -2.622 149 1HD LYS 17 2HD LYS 17 8.831 -3.078 -0.828 150 2HD LYS 17 1HD LYS 17 9.438 -1.432 -1.007 151 1HE LYS 17 2HE LYS 17 8.165 -0.919 0.788 152 2HE LYS 17 1HE LYS 17 6.781 -1.054 -0.297 153 1HZ LYS 17 1HZ LYS 17 7.751 -2.917 1.720 154 2HZ LYS 17 2HZ LYS 17 7.157 -3.604 0.283 155 3HZ LYS 17 3HZ LYS 17 6.165 -2.589 1.218 156 H PHE 18 H PHE 18 3.963 -1.132 -3.073 157 HA PHE 18 HA PHE 18 1.915 -3.038 -2.387 158 1HB PHE 18 2HB PHE 18 1.960 -0.673 -1.578 159 2HB PHE 18 1HB PHE 18 1.592 -0.139 -3.217 160 HD1 PHE 18 1HD PHE 18 -0.642 0.199 -3.781 161 HD2 PHE 18 2HD PHE 18 0.335 -2.596 -0.669 162 HE1 PHE 18 1HE PHE 18 -3.057 -0.183 -3.367 163 HE2 PHE 18 2HE PHE 18 -2.080 -2.979 -0.255 164 HZ PHE 18 HZ PHE 18 -3.775 -1.772 -1.604 165 H LEU 19 H LEU 19 3.014 -1.694 -5.400 166 HA LEU 19 HA LEU 19 0.522 -2.307 -6.814 167 1HB LEU 19 2HB LEU 19 3.243 -1.310 -7.625 168 2HB LEU 19 1HB LEU 19 2.113 -1.887 -8.851 169 HG LEU 19 HG LEU 19 1.469 0.245 -6.792 170 1HD1 LEU 19 1HD1 LEU 19 2.651 0.339 -9.523 171 2HD1 LEU 19 2HD1 LEU 19 2.850 1.455 -8.171 172 3HD1 LEU 19 3HD1 LEU 19 1.394 1.525 -9.165 173 1HD2 LEU 19 1HD2 LEU 19 -0.635 -0.399 -7.387 174 2HD2 LEU 19 2HD2 LEU 19 -0.067 -1.259 -8.819 175 3HD2 LEU 19 3HD2 LEU 19 -0.299 0.489 -8.874 176 H ALA 20 H ALA 20 3.742 -3.791 -6.484 177 HA ALA 20 HA ALA 20 3.042 -5.950 -8.330 178 1HB ALA 20 1HB ALA 20 5.192 -6.965 -7.493 179 2HB ALA 20 2HB ALA 20 5.352 -5.595 -6.393 180 3HB ALA 20 3HB ALA 20 5.385 -5.334 -8.137 181 H ALA 21 H ALA 21 2.691 -5.303 -4.946 182 HA ALA 21 HA ALA 21 2.341 -8.109 -4.202 183 1HB ALA 21 1HB ALA 21 1.211 -5.947 -2.494 184 2HB ALA 21 2HB ALA 21 2.956 -5.917 -2.747 185 3HB ALA 21 3HB ALA 21 2.192 -7.340 -2.039 186 H VAL 22 H VAL 22 0.236 -5.321 -4.897 187 HA VAL 22 HA VAL 22 -2.222 -6.769 -4.370 188 HB VAL 22 HB VAL 22 -1.801 -4.378 -6.191 189 1HG1 VAL 22 1HG1 VAL 22 -4.020 -5.821 -6.017 190 2HG1 VAL 22 2HG1 VAL 22 -4.091 -4.061 -6.090 191 3HG1 VAL 22 3HG1 VAL 22 -4.242 -4.887 -4.539 192 1HG2 VAL 22 1HG2 VAL 22 -0.996 -4.385 -3.647 193 2HG2 VAL 22 2HG2 VAL 22 -2.716 -4.111 -3.365 194 3HG2 VAL 22 3HG2 VAL 22 -1.793 -2.983 -4.359 195 H ASP 23 H ASP 23 -0.378 -5.947 -7.279 196 HA ASP 23 HA ASP 23 -2.085 -7.189 -9.189 197 1HB ASP 23 2HB ASP 23 0.001 -5.680 -9.519 198 2HB ASP 23 1HB ASP 23 0.918 -7.175 -9.408 199 H HIS 24 H HIS 24 0.663 -8.450 -7.323 200 HA HIS 24 HA HIS 24 0.729 -11.054 -8.467 201 1HB HIS 24 2HB HIS 24 2.501 -10.228 -6.982 202 2HB HIS 24 1HB HIS 24 1.372 -10.200 -5.628 203 HD1 HIS 24 1HD HIS 24 1.823 -12.157 -4.160 204 HD2 HIS 24 2HD HIS 24 2.220 -13.149 -8.190 205 HE1 HIS 24 1HE HIS 24 2.345 -14.634 -4.241 206 H LEU 25 H LEU 25 -1.523 -9.605 -6.243 207 HA LEU 25 HA LEU 25 -2.757 -12.289 -5.769 208 1HB LEU 25 2HB LEU 25 -3.365 -9.766 -4.228 209 2HB LEU 25 1HB LEU 25 -3.673 -11.434 -3.750 210 HG LEU 25 HG LEU 25 -0.842 -10.649 -4.296 211 1HD1 LEU 25 1HD1 LEU 25 -1.653 -10.223 -1.514 212 2HD1 LEU 25 2HD1 LEU 25 -2.386 -9.063 -2.622 213 3HD1 LEU 25 3HD1 LEU 25 -0.632 -9.226 -2.549 214 1HD2 LEU 25 1HD2 LEU 25 -0.511 -12.220 -2.372 215 2HD2 LEU 25 2HD2 LEU 25 -1.383 -12.960 -3.714 216 3HD2 LEU 25 3HD2 LEU 25 -2.260 -12.424 -2.282 217 H GLY 26 H GLY 26 -3.070 -9.617 -7.714 218 1HA GLY 26 2HA GLY 26 -4.852 -9.064 -9.173 219 2HA GLY 26 1HA GLY 26 -5.839 -10.294 -8.373 220 H VAL 27 H VAL 27 -5.237 -6.960 -8.615 221 HA VAL 27 HA VAL 27 -5.873 -5.937 -6.084 222 HB VAL 27 HB VAL 27 -5.234 -4.595 -8.116 223 1HG1 VAL 27 1HG1 VAL 27 -7.136 -3.882 -9.584 224 2HG1 VAL 27 2HG1 VAL 27 -8.148 -5.092 -8.794 225 3HG1 VAL 27 3HG1 VAL 27 -6.747 -5.595 -9.738 226 1HG2 VAL 27 1HG2 VAL 27 -6.738 -3.881 -5.920 227 2HG2 VAL 27 2HG2 VAL 27 -7.730 -3.289 -7.253 228 3HG2 VAL 27 3HG2 VAL 27 -6.061 -2.744 -7.087 229 H GLU 28 H GLU 28 -7.892 -7.701 -8.249 230 HA GLU 28 HA GLU 28 -10.430 -6.693 -7.278 231 1HB GLU 28 2HB GLU 28 -9.768 -8.163 -9.422 232 2HB GLU 28 1HB GLU 28 -10.234 -9.472 -8.335 233 1HG GLU 28 2HG GLU 28 -12.381 -9.033 -8.855 234 2HG GLU 28 1HG GLU 28 -12.209 -7.502 -7.997 235 H ARG 29 H ARG 29 -8.423 -9.521 -6.442 236 HA ARG 29 HA ARG 29 -10.199 -9.920 -4.065 237 1HB ARG 29 2HB ARG 29 -8.371 -12.075 -5.064 238 2HB ARG 29 1HB ARG 29 -9.920 -12.219 -4.231 239 1HG ARG 29 2HG ARG 29 -10.682 -10.926 -6.511 240 2HG ARG 29 1HG ARG 29 -9.354 -11.918 -7.117 241 1HD ARG 29 2HD ARG 29 -11.142 -13.397 -7.314 242 2HD ARG 29 1HD ARG 29 -10.528 -13.817 -5.715 243 HE ARG 29 HE ARG 29 -12.451 -11.778 -5.350 244 1HH1 ARG 29 1HH1 ARG 29 -14.023 -13.079 -7.439 245 2HH1 ARG 29 2HH1 ARG 29 -14.842 -14.352 -6.597 246 1HH2 ARG 29 1HH2 ARG 29 -12.729 -14.256 -3.849 247 2HH2 ARG 29 2HH2 ARG 29 -14.111 -15.018 -4.565 248 H ALA 30 H ALA 30 -7.531 -8.349 -4.657 249 HA ALA 30 HA ALA 30 -5.740 -9.632 -2.693 250 1HB ALA 30 1HB ALA 30 -5.300 -6.934 -3.964 251 2HB ALA 30 2HB ALA 30 -5.009 -8.421 -4.867 252 3HB ALA 30 3HB ALA 30 -4.098 -8.091 -3.393 253 H VAL 31 H VAL 31 -5.555 -8.983 -0.591 254 HA VAL 31 HA VAL 31 -7.101 -6.552 0.221 255 HB VAL 31 HB VAL 31 -7.205 -7.712 2.484 256 1HG1 VAL 31 1HG1 VAL 31 -9.271 -8.270 1.791 257 2HG1 VAL 31 2HG1 VAL 31 -8.623 -9.659 0.917 258 3HG1 VAL 31 3HG1 VAL 31 -8.735 -8.089 0.120 259 1HG2 VAL 31 1HG2 VAL 31 -6.623 -10.251 0.988 260 2HG2 VAL 31 2HG2 VAL 31 -6.532 -9.934 2.721 261 3HG2 VAL 31 3HG2 VAL 31 -5.280 -9.314 1.645 262 HA PRO 32 HA PRO 32 -3.371 -4.910 1.833 263 1HB PRO 32 2HB PRO 32 -4.344 -3.481 3.974 264 2HB PRO 32 1HB PRO 32 -4.531 -2.972 2.287 265 1HG PRO 32 2HG PRO 32 -6.561 -4.154 4.128 266 2HG PRO 32 1HG PRO 32 -6.795 -3.070 2.746 267 1HD PRO 32 2HD PRO 32 -7.241 -5.859 2.741 268 2HD PRO 32 1HD PRO 32 -7.108 -4.826 1.301 269 H LYS 33 H LYS 33 -5.351 -6.965 3.789 270 HA LYS 33 HA LYS 33 -3.645 -7.047 6.122 271 1HB LYS 33 2HB LYS 33 -5.927 -7.775 6.354 272 2HB LYS 33 1HB LYS 33 -5.750 -8.934 5.037 273 1HG LYS 33 2HG LYS 33 -3.798 -9.256 7.230 274 2HG LYS 33 1HG LYS 33 -5.474 -9.581 7.676 275 1HD LYS 33 2HD LYS 33 -5.427 -10.901 5.345 276 2HD LYS 33 1HD LYS 33 -3.713 -11.019 5.744 277 1HE LYS 33 2HE LYS 33 -4.871 -11.620 8.155 278 2HE LYS 33 1HE LYS 33 -6.033 -12.314 7.024 279 1HZ LYS 33 1HZ LYS 33 -4.571 -14.025 7.170 280 2HZ LYS 33 2HZ LYS 33 -3.236 -13.024 7.489 281 3HZ LYS 33 3HZ LYS 33 -3.831 -13.172 5.905 282 H LYS 34 H LYS 34 -4.118 -9.352 3.418 283 HA LYS 34 HA LYS 34 -1.842 -10.959 4.179 284 1HB LYS 34 2HB LYS 34 -3.554 -10.741 1.710 285 2HB LYS 34 1HB LYS 34 -2.080 -11.711 1.680 286 1HG LYS 34 2HG LYS 34 -3.588 -12.263 4.086 287 2HG LYS 34 1HG LYS 34 -4.607 -12.490 2.664 288 1HD LYS 34 2HD LYS 34 -2.052 -13.588 2.055 289 2HD LYS 34 1HD LYS 34 -2.520 -14.195 3.645 290 1HE LYS 34 2HE LYS 34 -4.805 -14.714 2.603 291 2HE LYS 34 1HE LYS 34 -4.036 -14.437 1.040 292 1HZ LYS 34 1HZ LYS 34 -4.081 -16.805 2.086 293 2HZ LYS 34 2HZ LYS 34 -2.742 -16.237 2.964 294 3HZ LYS 34 3HZ LYS 34 -2.701 -16.261 1.265 295 H ILE 35 H ILE 35 -2.316 -8.256 1.927 296 HA ILE 35 HA ILE 35 0.306 -8.372 0.780 297 HB ILE 35 HB ILE 35 -1.664 -6.106 1.137 298 1HG1 ILE 35 2HG1 ILE 35 -0.909 -8.074 -0.994 299 2HG1 ILE 35 1HG1 ILE 35 -2.503 -7.489 -0.532 300 1HG2 ILE 35 1HG2 ILE 35 0.689 -5.250 1.145 301 2HG2 ILE 35 2HG2 ILE 35 -0.209 -4.746 -0.286 302 3HG2 ILE 35 3HG2 ILE 35 0.958 -6.063 -0.397 303 1HD1 ILE 35 1HD1 ILE 35 -2.351 -6.248 -2.432 304 2HD1 ILE 35 2HD1 ILE 35 -0.597 -6.402 -2.504 305 3HD1 ILE 35 3HD1 ILE 35 -1.333 -5.188 -1.458 306 H LEU 36 H LEU 36 -0.905 -7.227 3.847 307 HA LEU 36 HA LEU 36 1.130 -5.430 4.608 308 1HB LEU 36 2HB LEU 36 -0.705 -5.802 6.126 309 2HB LEU 36 1HB LEU 36 -0.347 -7.525 6.228 310 HG LEU 36 HG LEU 36 1.914 -6.889 7.193 311 1HD1 LEU 36 1HD1 LEU 36 0.726 -4.246 7.922 312 2HD1 LEU 36 2HD1 LEU 36 1.420 -4.416 6.309 313 3HD1 LEU 36 3HD1 LEU 36 2.420 -4.702 7.734 314 1HD2 LEU 36 1HD2 LEU 36 1.024 -6.556 9.430 315 2HD2 LEU 36 2HD2 LEU 36 -0.063 -7.636 8.557 316 3HD2 LEU 36 3HD2 LEU 36 -0.493 -5.940 8.776 317 H ASP 37 H ASP 37 1.121 -8.959 4.424 318 HA ASP 37 HA ASP 37 3.772 -9.255 5.595 319 1HB ASP 37 2HB ASP 37 2.178 -11.132 3.816 320 2HB ASP 37 1HB ASP 37 3.632 -11.568 4.715 321 H LEU 38 H LEU 38 2.440 -8.866 2.356 322 HA LEU 38 HA LEU 38 4.748 -9.460 0.819 323 1HB LEU 38 2HB LEU 38 2.353 -7.684 0.431 324 2HB LEU 38 1HB LEU 38 3.677 -7.620 -0.734 325 HG LEU 38 HG LEU 38 2.676 -10.316 0.062 326 1HD1 LEU 38 1HD1 LEU 38 0.951 -8.259 -0.974 327 2HD1 LEU 38 2HD1 LEU 38 0.565 -9.945 -0.629 328 3HD1 LEU 38 3HD1 LEU 38 1.191 -9.490 -2.213 329 1HD2 LEU 38 1HD2 LEU 38 4.419 -10.415 -1.495 330 2HD2 LEU 38 2HD2 LEU 38 3.889 -8.953 -2.327 331 3HD2 LEU 38 3HD2 LEU 38 3.004 -10.461 -2.547 332 H MET 39 H MET 39 3.803 -6.528 2.566 333 HA MET 39 HA MET 39 6.046 -4.975 1.518 334 1HB MET 39 2HB MET 39 4.413 -4.348 3.986 335 2HB MET 39 1HB MET 39 5.271 -3.219 2.937 336 1HG MET 39 2HG MET 39 2.919 -4.925 2.069 337 2HG MET 39 1HG MET 39 2.811 -3.224 2.521 338 1HE MET 39 1HE MET 39 4.437 -1.197 0.039 339 2HE MET 39 2HE MET 39 3.790 -1.459 1.656 340 3HE MET 39 3HE MET 39 2.703 -1.458 0.270 341 H ASN 40 H ASN 40 5.245 -6.393 4.708 342 HA ASN 40 HA ASN 40 6.655 -7.030 6.470 343 1HB ASN 40 2HB ASN 40 7.576 -8.461 4.595 344 2HB ASN 40 1HB ASN 40 8.789 -7.208 4.326 345 1HD2 ASN 40 1HD2 ASN 40 7.453 -8.447 7.432 346 2HD2 ASN 40 2HD2 ASN 40 8.954 -8.941 8.054 347 H VAL 41 H VAL 41 6.503 -4.161 5.544 348 HA VAL 41 HA VAL 41 9.173 -3.083 6.106 349 HB VAL 41 HB VAL 41 6.474 -1.747 5.748 350 1HG1 VAL 41 1HG1 VAL 41 8.624 0.053 5.325 351 2HG1 VAL 41 2HG1 VAL 41 8.929 -0.744 6.868 352 3HG1 VAL 41 3HG1 VAL 41 7.410 0.112 6.603 353 1HG2 VAL 41 1HG2 VAL 41 8.905 -2.091 3.967 354 2HG2 VAL 41 2HG2 VAL 41 7.576 -0.992 3.601 355 3HG2 VAL 41 3HG2 VAL 41 7.284 -2.729 3.688 356 H ASP 42 H ASP 42 9.761 -1.983 8.027 357 HA ASP 42 HA ASP 42 8.348 -2.884 10.425 358 1HB ASP 42 2HB ASP 42 10.169 -1.806 11.645 359 2HB ASP 42 1HB ASP 42 10.838 -2.746 10.311 360 H LYS 43 H LYS 43 7.248 -1.550 11.905 361 HA LYS 43 HA LYS 43 6.143 0.380 12.688 362 1HB LYS 43 2HB LYS 43 8.305 1.525 11.822 363 2HB LYS 43 1HB LYS 43 7.341 1.947 10.406 364 1HG LYS 43 2HG LYS 43 6.366 3.630 11.532 365 2HG LYS 43 1HG LYS 43 5.814 2.508 12.775 366 1HD LYS 43 2HD LYS 43 8.643 3.574 12.701 367 2HD LYS 43 1HD LYS 43 7.347 4.394 13.572 368 1HE LYS 43 2HE LYS 43 7.914 1.466 14.017 369 2HE LYS 43 1HE LYS 43 8.796 2.712 14.900 370 1HZ LYS 43 1HZ LYS 43 7.082 2.910 16.260 371 2HZ LYS 43 2HZ LYS 43 6.227 1.720 15.401 372 3HZ LYS 43 3HZ LYS 43 6.079 3.356 14.967 373 H LEU 44 H LEU 44 5.728 -1.188 9.822 374 HA LEU 44 HA LEU 44 3.450 0.533 8.965 375 1HB LEU 44 2HB LEU 44 5.183 -1.477 7.599 376 2HB LEU 44 1HB LEU 44 3.515 -1.322 7.044 377 HG LEU 44 HG LEU 44 5.161 0.184 5.852 378 1HD1 LEU 44 1HD1 LEU 44 3.395 1.535 5.468 379 2HD1 LEU 44 2HD1 LEU 44 3.443 2.164 7.114 380 3HD1 LEU 44 3HD1 LEU 44 2.560 0.678 6.763 381 1HD2 LEU 44 1HD2 LEU 44 6.332 0.627 8.166 382 2HD2 LEU 44 2HD2 LEU 44 5.107 1.885 8.332 383 3HD2 LEU 44 3HD2 LEU 44 6.238 1.929 6.979 384 H THR 45 H THR 45 1.362 -0.205 9.124 385 HA THR 45 HA THR 45 1.000 -2.954 10.251 386 HB THR 45 HB THR 45 -0.786 -2.154 11.595 387 HG1 THR 45 1HG THR 45 -0.695 0.435 10.598 388 1HG2 THR 45 1HG2 THR 45 1.239 -1.484 12.631 389 2HG2 THR 45 2HG2 THR 45 0.213 -0.050 12.682 390 3HG2 THR 45 3HG2 THR 45 1.490 -0.177 11.472 391 H ARG 46 H ARG 46 -1.392 -3.698 9.826 392 HA ARG 46 HA ARG 46 -1.773 -3.635 6.933 393 1HB ARG 46 2HB ARG 46 -3.761 -5.094 7.472 394 2HB ARG 46 1HB ARG 46 -2.228 -5.710 8.090 395 1HG ARG 46 2HG ARG 46 -2.769 -5.249 10.290 396 2HG ARG 46 1HG ARG 46 -3.824 -3.902 9.857 397 1HD ARG 46 2HD ARG 46 -5.564 -5.390 9.131 398 2HD ARG 46 1HD ARG 46 -4.495 -6.789 9.239 399 HE ARG 46 HE ARG 46 -5.341 -5.243 11.658 400 1HH1 ARG 46 1HH2 ARG 46 -5.939 -8.048 9.935 401 2HH1 ARG 46 2HH2 ARG 46 -5.701 -9.132 11.264 402 1HH2 ARG 46 1HH1 ARG 46 -4.483 -6.679 13.391 403 2HH2 ARG 46 2HH1 ARG 46 -4.877 -8.357 13.222 404 H GLU 47 H GLU 47 -2.977 -1.859 9.635 405 HA GLU 47 HA GLU 47 -5.478 -1.027 8.405 406 1HB GLU 47 2HB GLU 47 -3.933 -0.341 10.854 407 2HB GLU 47 1HB GLU 47 -5.026 0.901 10.240 408 1HG GLU 47 2HG GLU 47 -6.923 -0.471 10.483 409 2HG GLU 47 1HG GLU 47 -5.959 -1.947 10.551 410 H ASN 48 H ASN 48 -2.240 0.421 8.758 411 HA ASN 48 HA ASN 48 -2.852 2.910 7.507 412 1HB ASN 48 2HB ASN 48 -0.363 1.341 8.028 413 2HB ASN 48 1HB ASN 48 -0.273 2.662 6.862 414 1HD2 ASN 48 1HD2 ASN 48 -1.608 4.735 7.801 415 2HD2 ASN 48 2HD2 ASN 48 -1.200 5.142 9.397 416 H VAL 49 H VAL 49 -1.923 -0.237 6.169 417 HA VAL 49 HA VAL 49 -1.789 0.831 3.438 418 HB VAL 49 HB VAL 49 -1.803 -2.046 4.400 419 1HG1 VAL 49 1HG1 VAL 49 -0.531 -2.246 2.135 420 2HG1 VAL 49 2HG1 VAL 49 -1.281 -0.696 1.758 421 3HG1 VAL 49 3HG1 VAL 49 -2.288 -2.103 2.099 422 1HG2 VAL 49 1HG2 VAL 49 0.341 -1.748 5.031 423 2HG2 VAL 49 2HG2 VAL 49 0.149 -0.018 4.745 424 3HG2 VAL 49 3HG2 VAL 49 0.740 -1.065 3.455 425 H ALA 50 H ALA 50 -4.137 -0.652 5.538 426 HA ALA 50 HA ALA 50 -5.959 -1.432 3.410 427 1HB ALA 50 1HB ALA 50 -6.657 -0.929 6.313 428 2HB ALA 50 2HB ALA 50 -5.900 -2.422 5.757 429 3HB ALA 50 3HB ALA 50 -7.500 -1.973 5.168 430 H SER 51 H SER 51 -5.236 1.501 5.089 431 HA SER 51 HA SER 51 -7.810 2.776 4.575 432 1HB SER 51 2HB SER 51 -5.124 3.986 5.295 433 2HB SER 51 1HB SER 51 -6.667 4.837 5.314 434 HG SER 51 HG SER 51 -7.345 3.119 6.811 435 H HIS 52 H HIS 52 -4.555 2.940 3.120 436 HA HIS 52 HA HIS 52 -5.216 4.850 1.101 437 1HB HIS 52 2HB HIS 52 -2.887 4.072 1.767 438 2HB HIS 52 1HB HIS 52 -3.192 2.614 0.823 439 HD1 HIS 52 1HD HIS 52 -4.094 6.221 -0.014 440 HD2 HIS 52 2HD HIS 52 -1.779 3.096 -1.514 441 HE1 HIS 52 1HE HIS 52 -3.187 7.008 -2.244 442 H LEU 53 H LEU 53 -5.820 1.419 1.372 443 HA LEU 53 HA LEU 53 -6.389 1.024 -1.457 444 1HB LEU 53 2HB LEU 53 -5.722 -0.872 -0.057 445 2HB LEU 53 1HB LEU 53 -7.128 -0.627 0.978 446 HG LEU 53 HG LEU 53 -8.426 -0.813 -1.339 447 1HD1 LEU 53 1HD1 LEU 53 -7.376 -2.104 -2.982 448 2HD1 LEU 53 2HD1 LEU 53 -6.178 -2.742 -1.856 449 3HD1 LEU 53 3HD1 LEU 53 -6.053 -1.077 -2.426 450 1HD2 LEU 53 1HD2 LEU 53 -9.145 -2.435 0.095 451 2HD2 LEU 53 2HD2 LEU 53 -7.514 -2.784 0.668 452 3HD2 LEU 53 3HD2 LEU 53 -8.085 -3.484 -0.847 453 H GLN 54 H GLN 54 -8.213 2.003 1.376 454 HA GLN 54 HA GLN 54 -10.817 1.635 0.119 455 1HB GLN 54 2HB GLN 54 -9.856 3.007 2.629 456 2HB GLN 54 1HB GLN 54 -11.530 3.154 2.090 457 1HG GLN 54 2HG GLN 54 -11.649 0.640 2.012 458 2HG GLN 54 1HG GLN 54 -10.051 0.596 2.755 459 1HE2 GLN 54 1HE2 GLN 54 -12.776 2.835 3.459 460 2HE2 GLN 54 2HE2 GLN 54 -12.916 2.391 5.091 461 H LYS 55 H LYS 55 -8.417 4.171 0.262 462 HA LYS 55 HA LYS 55 -10.244 6.265 -0.647 463 1HB LYS 55 2HB LYS 55 -7.289 6.050 -0.166 464 2HB LYS 55 1HB LYS 55 -7.905 7.388 -1.138 465 1HG LYS 55 2HG LYS 55 -9.496 6.971 1.272 466 2HG LYS 55 1HG LYS 55 -7.805 7.302 1.646 467 1HD LYS 55 2HD LYS 55 -7.839 9.362 0.435 468 2HD LYS 55 1HD LYS 55 -9.392 8.976 -0.309 469 1HE LYS 55 2HE LYS 55 -9.223 9.083 2.680 470 2HE LYS 55 1HE LYS 55 -9.274 10.600 1.780 471 1HZ LYS 55 1HZ LYS 55 -11.213 8.409 1.324 472 2HZ LYS 55 2HZ LYS 55 -11.320 10.025 0.813 473 3HZ LYS 55 3HZ LYS 55 -11.482 9.639 2.460 474 H PHE 56 H PHE 56 -7.834 4.120 -2.132 475 HA PHE 56 HA PHE 56 -7.926 5.312 -4.741 476 1HB PHE 56 2HB PHE 56 -6.204 3.639 -3.886 477 2HB PHE 56 1HB PHE 56 -7.418 2.385 -4.142 478 HD1 PHE 56 1HD PHE 56 -6.728 1.157 -6.020 479 HD2 PHE 56 2HD PHE 56 -6.626 5.449 -6.143 480 HE1 PHE 56 1HE PHE 56 -6.136 1.072 -8.426 481 HE2 PHE 56 2HE PHE 56 -6.035 5.365 -8.550 482 HZ PHE 56 HZ PHE 56 -5.790 3.177 -9.692 483 H ARG 57 H ARG 57 -9.771 2.623 -3.278 484 HA ARG 57 HA ARG 57 -11.269 1.929 -5.599 485 1HB ARG 57 2HB ARG 57 -11.192 0.949 -3.087 486 2HB ARG 57 1HB ARG 57 -12.667 1.909 -2.961 487 1HG ARG 57 2HG ARG 57 -13.831 0.540 -4.359 488 2HG ARG 57 1HG ARG 57 -12.448 0.295 -5.427 489 1HD ARG 57 2HD ARG 57 -11.462 -1.285 -3.838 490 2HD ARG 57 1HD ARG 57 -12.785 -1.003 -2.707 491 HE ARG 57 HE ARG 57 -13.202 -2.242 -5.399 492 1HH1 ARG 57 1HH2 ARG 57 -13.142 -2.729 -2.061 493 2HH1 ARG 57 2HH2 ARG 57 -14.641 -3.594 -1.990 494 1HH2 ARG 57 1HH1 ARG 57 -15.444 -3.004 -5.311 495 2HH2 ARG 57 2HH1 ARG 57 -15.944 -3.750 -3.830 496 H VAL 58 H VAL 58 -11.801 4.407 -3.108 497 HA VAL 58 HA VAL 58 -14.326 5.328 -4.135 498 HB VAL 58 HB VAL 58 -12.176 6.699 -2.491 499 1HG1 VAL 58 1HG1 VAL 58 -14.967 7.656 -3.202 500 2HG1 VAL 58 2HG1 VAL 58 -13.454 8.385 -3.741 501 3HG1 VAL 58 3HG1 VAL 58 -13.896 8.427 -2.034 502 1HG2 VAL 58 1HG2 VAL 58 -13.279 4.894 -1.313 503 2HG2 VAL 58 2HG2 VAL 58 -14.864 5.449 -1.850 504 3HG2 VAL 58 3HG2 VAL 58 -13.935 6.413 -0.702 505 H ALA 59 H ALA 59 -10.978 5.936 -4.940 506 HA ALA 59 HA ALA 59 -11.614 8.152 -6.757 507 1HB ALA 59 1HB ALA 59 -9.075 6.624 -6.144 508 2HB ALA 59 2HB ALA 59 -9.472 8.278 -5.681 509 3HB ALA 59 3HB ALA 59 -9.157 7.887 -7.371 510 H LEU 60 H LEU 60 -11.688 4.770 -6.847 511 HA LEU 60 HA LEU 60 -11.123 4.563 -9.735 512 1HB LEU 60 2HB LEU 60 -11.541 2.664 -7.469 513 2HB LEU 60 1HB LEU 60 -11.934 2.094 -9.090 514 HG LEU 60 HG LEU 60 -9.319 3.485 -8.551 515 1HD1 LEU 60 1HD1 LEU 60 -10.181 0.790 -7.686 516 2HD1 LEU 60 2HD1 LEU 60 -8.852 1.790 -7.098 517 3HD1 LEU 60 3HD1 LEU 60 -8.655 0.838 -8.569 518 1HD2 LEU 60 1HD2 LEU 60 -9.635 1.216 -10.444 519 2HD2 LEU 60 2HD2 LEU 60 -8.750 2.730 -10.640 520 3HD2 LEU 60 3HD2 LEU 60 -10.500 2.696 -10.861 521 H LYS 61 H LYS 61 -13.698 5.643 -8.044 522 HA LYS 61 HA LYS 61 -15.732 4.198 -9.661 523 1HB LYS 61 2HB LYS 61 -17.366 5.057 -8.162 524 2HB LYS 61 1HB LYS 61 -15.996 4.624 -7.140 525 1HG LYS 61 2HG LYS 61 -15.216 7.002 -7.263 526 2HG LYS 61 1HG LYS 61 -16.690 7.397 -8.150 527 1HD LYS 61 2HD LYS 61 -17.915 6.271 -6.140 528 2HD LYS 61 1HD LYS 61 -16.393 6.522 -5.285 529 1HE LYS 61 2HE LYS 61 -17.700 8.467 -4.839 530 2HE LYS 61 1HE LYS 61 -16.526 8.957 -6.060 531 1HZ LYS 61 1HZ LYS 61 -18.942 7.860 -7.162 532 2HZ LYS 61 2HZ LYS 61 -18.121 9.293 -7.558 533 3HZ LYS 61 3HZ LYS 61 -19.206 9.266 -6.252 534 H LYS 62 H LYS 62 -14.076 7.242 -9.445 535 HA LYS 62 HA LYS 62 -15.534 8.151 -11.861 536 1HB LYS 62 2HB LYS 62 -16.438 9.101 -9.531 537 2HB LYS 62 1HB LYS 62 -15.075 10.201 -9.738 538 1HG LYS 62 2HG LYS 62 -16.369 11.414 -11.126 539 2HG LYS 62 1HG LYS 62 -16.293 10.070 -12.264 540 1HD LYS 62 2HD LYS 62 -18.539 9.935 -12.016 541 2HD LYS 62 1HD LYS 62 -18.197 9.226 -10.438 542 1HE LYS 62 2HE LYS 62 -19.224 10.985 -9.481 543 2HE LYS 62 1HE LYS 62 -17.943 12.021 -10.109 544 1HZ LYS 62 1HZ LYS 62 -20.552 12.184 -10.787 545 2HZ LYS 62 2HZ LYS 62 -19.907 11.287 -12.077 546 3HZ LYS 62 3HZ LYS 62 -19.269 12.815 -11.698 547 H VAL 63 H VAL 63 -13.227 7.364 -12.469 548 HA VAL 63 HA VAL 63 -11.096 9.292 -11.805 549 HB VAL 63 HB VAL 63 -9.648 7.808 -13.112 550 1HG1 VAL 63 1HG1 VAL 63 -11.563 6.534 -11.158 551 2HG1 VAL 63 2HG1 VAL 63 -9.897 7.044 -10.888 552 3HG1 VAL 63 3HG1 VAL 63 -10.233 5.614 -11.864 553 1HG2 VAL 63 1HG2 VAL 63 -11.128 7.219 -14.930 554 2HG2 VAL 63 2HG2 VAL 63 -12.272 6.464 -13.820 555 3HG2 VAL 63 3HG2 VAL 63 -10.695 5.725 -14.098 556 H SER 64 H SER 64 -10.070 10.619 -13.392 557 HA SER 64 HA SER 64 -10.071 12.067 -15.237 558 1HB SER 64 2HB SER 64 -9.589 10.182 -16.605 559 2HB SER 64 1HB SER 64 -11.215 9.531 -16.417 560 HG SER 64 HG SER 64 -11.305 10.516 -18.339 Start of MODEL 4 1 1H THR 1 1HT THR 1 24.683 17.672 5.006 2 2H THR 1 2HT THR 1 24.649 19.161 5.823 3 3H THR 1 3HT THR 1 24.537 19.116 4.128 4 HA THR 1 HA THR 1 22.425 19.355 5.717 5 HB THR 1 HB THR 1 21.349 17.944 3.638 6 HG1 THR 1 1HG THR 1 23.046 17.362 2.514 7 1HG2 THR 1 1HG2 THR 1 21.020 20.350 4.255 8 2HG2 THR 1 2HG2 THR 1 21.155 20.087 2.516 9 3HG2 THR 1 3HG2 THR 1 22.528 20.727 3.420 10 H ALA 2 H ALA 2 20.486 17.713 5.823 11 HA ALA 2 HA ALA 2 21.303 15.543 7.534 12 1HB ALA 2 1HB ALA 2 18.913 14.927 7.520 13 2HB ALA 2 2HB ALA 2 18.630 16.044 6.185 14 3HB ALA 2 3HB ALA 2 19.111 16.661 7.766 15 H GLN 3 H GLN 3 22.127 13.631 6.856 16 HA GLN 3 HA GLN 3 21.159 12.533 4.248 17 1HB GLN 3 2HB GLN 3 23.988 12.739 5.293 18 2HB GLN 3 1HB GLN 3 23.538 11.568 4.051 19 1HG GLN 3 2HG GLN 3 22.775 13.337 2.578 20 2HG GLN 3 1HG GLN 3 23.021 14.547 3.839 21 1HE2 GLN 3 1HE2 GLN 3 24.751 15.767 2.975 22 2HE2 GLN 3 2HE2 GLN 3 26.250 15.101 2.537 23 H LYS 4 H LYS 4 19.695 11.372 5.827 24 HA LYS 4 HA LYS 4 21.054 8.889 6.751 25 1HB LYS 4 2HB LYS 4 19.589 10.865 8.403 26 2HB LYS 4 1HB LYS 4 19.154 9.177 8.679 27 1HG LYS 4 2HG LYS 4 22.015 9.397 8.440 28 2HG LYS 4 1HG LYS 4 21.437 10.544 9.650 29 1HD LYS 4 2HD LYS 4 19.950 8.344 10.278 30 2HD LYS 4 1HD LYS 4 21.438 7.589 9.707 31 1HE LYS 4 2HE LYS 4 22.186 9.798 11.336 32 2HE LYS 4 1HE LYS 4 20.957 8.891 12.216 33 1HZ LYS 4 1HZ LYS 4 22.217 6.940 12.095 34 2HZ LYS 4 2HZ LYS 4 23.342 8.148 12.496 35 3HZ LYS 4 3HZ LYS 4 23.251 7.562 10.903 36 H LYS 5 H LYS 5 20.012 8.231 4.642 37 HA LYS 5 HA LYS 5 18.329 7.052 3.525 38 1HB LYS 5 2HB LYS 5 18.152 5.588 5.385 39 2HB LYS 5 1HB LYS 5 17.405 6.827 6.393 40 1HG LYS 5 2HG LYS 5 15.915 6.271 3.920 41 2HG LYS 5 1HG LYS 5 16.028 4.883 5.005 42 1HD LYS 5 2HD LYS 5 15.473 7.333 6.473 43 2HD LYS 5 1HD LYS 5 14.247 7.028 5.241 44 1HE LYS 5 2HE LYS 5 15.114 4.689 6.860 45 2HE LYS 5 1HE LYS 5 14.145 5.908 7.689 46 1HZ LYS 5 1HZ LYS 5 13.438 4.426 5.219 47 2HZ LYS 5 2HZ LYS 5 12.552 5.751 5.808 48 3HZ LYS 5 3HZ LYS 5 12.674 4.329 6.730 49 HA PRO 6 HA PRO 6 15.462 10.370 2.801 50 1HB PRO 6 2HB PRO 6 14.288 9.248 0.583 51 2HB PRO 6 1HB PRO 6 15.866 10.053 0.553 52 1HG PRO 6 2HG PRO 6 15.244 7.141 0.436 53 2HG PRO 6 1HG PRO 6 16.651 8.013 -0.192 54 1HD PRO 6 2HD PRO 6 16.572 6.489 2.193 55 2HD PRO 6 1HD PRO 6 17.855 7.621 1.717 56 H ARG 7 H ARG 7 13.477 10.680 3.747 57 HA ARG 7 HA ARG 7 12.010 8.807 5.153 58 1HB ARG 7 2HB ARG 7 10.064 10.307 4.926 59 2HB ARG 7 1HB ARG 7 11.539 11.233 5.208 60 1HG ARG 7 2HG ARG 7 11.706 11.367 2.626 61 2HG ARG 7 1HG ARG 7 10.011 10.879 2.633 62 1HD ARG 7 2HD ARG 7 9.654 13.133 2.782 63 2HD ARG 7 1HD ARG 7 9.935 12.842 4.498 64 HE ARG 7 HE ARG 7 12.416 13.350 3.095 65 1HH1 ARG 7 1HH2 ARG 7 10.616 14.376 5.638 66 2HH1 ARG 7 2HH2 ARG 7 10.913 16.071 5.441 67 1HH2 ARG 7 1HH1 ARG 7 12.369 15.720 2.313 68 2HH2 ARG 7 2HH1 ARG 7 11.905 16.832 3.557 69 H VAL 8 H VAL 8 10.696 7.109 4.635 70 HA VAL 8 HA VAL 8 9.698 6.935 1.826 71 HB VAL 8 HB VAL 8 11.259 4.923 3.416 72 1HG1 VAL 8 1HG1 VAL 8 9.446 3.500 3.077 73 2HG1 VAL 8 2HG1 VAL 8 10.325 3.274 1.564 74 3HG1 VAL 8 3HG1 VAL 8 8.929 4.349 1.622 75 1HG2 VAL 8 1HG2 VAL 8 11.678 6.449 1.122 76 2HG2 VAL 8 2HG2 VAL 8 11.313 4.840 0.497 77 3HG2 VAL 8 3HG2 VAL 8 12.643 5.064 1.634 78 H LEU 9 H LEU 9 7.675 7.751 2.731 79 HA LEU 9 HA LEU 9 6.248 5.788 4.472 80 1HB LEU 9 2HB LEU 9 6.495 8.287 5.126 81 2HB LEU 9 1HB LEU 9 5.317 8.589 3.850 82 HG LEU 9 HG LEU 9 3.950 6.686 5.035 83 1HD1 LEU 9 1HD1 LEU 9 5.987 7.522 7.097 84 2HD1 LEU 9 2HD1 LEU 9 5.472 5.895 6.655 85 3HD1 LEU 9 3HD1 LEU 9 4.394 6.939 7.580 86 1HD2 LEU 9 1HD2 LEU 9 4.080 9.540 5.303 87 2HD2 LEU 9 2HD2 LEU 9 3.668 8.851 6.873 88 3HD2 LEU 9 3HD2 LEU 9 2.671 8.491 5.464 89 H TRP 10 H TRP 10 6.283 7.423 1.401 90 HA TRP 10 HA TRP 10 4.524 5.524 0.163 91 1HB TRP 10 2HB TRP 10 3.349 8.091 1.167 92 2HB TRP 10 1HB TRP 10 2.815 7.491 -0.404 93 HD1 TRP 10 HD TRP 10 1.465 7.457 2.767 94 HE1 TRP 10 1HE TRP 10 0.246 5.271 3.385 95 HE3 TRP 10 3HE TRP 10 3.420 4.329 -0.765 96 HZ2 TRP 10 2HZ TRP 10 0.117 2.554 2.498 97 HZ3 TRP 10 3HZ TRP 10 2.733 1.949 -0.856 98 HH2 TRP 10 HH TRP 10 1.085 1.059 0.770 99 H THR 11 H THR 11 6.782 5.933 -0.883 100 HA THR 11 HA THR 11 6.571 8.199 -2.826 101 HB THR 11 HB THR 11 9.104 7.747 -3.076 102 HG1 THR 11 1HG THR 11 8.777 6.642 -0.506 103 1HG2 THR 11 1HG2 THR 11 8.058 8.757 -0.416 104 2HG2 THR 11 2HG2 THR 11 8.108 9.703 -1.904 105 3HG2 THR 11 3HG2 THR 11 9.610 9.164 -1.151 106 H HIS 12 H HIS 12 7.903 7.601 -4.919 107 HA HIS 12 HA HIS 12 6.533 5.630 -6.354 108 1HB HIS 12 2HB HIS 12 8.712 5.622 -7.803 109 2HB HIS 12 1HB HIS 12 7.780 7.114 -7.672 110 HD1 HIS 12 1HD HIS 12 10.842 5.436 -6.178 111 HD2 HIS 12 2HD HIS 12 9.150 9.235 -6.478 112 HE1 HIS 12 1HE HIS 12 12.555 7.059 -5.255 113 H GLU 13 H GLU 13 9.283 5.263 -4.204 114 HA GLU 13 HA GLU 13 10.005 2.603 -5.086 115 1HB GLU 13 2HB GLU 13 11.411 4.265 -3.698 116 2HB GLU 13 1HB GLU 13 10.473 3.705 -2.315 117 1HG GLU 13 2HG GLU 13 11.129 1.347 -2.925 118 2HG GLU 13 1HG GLU 13 12.217 2.025 -4.137 119 H LEU 14 H LEU 14 8.269 3.766 -2.180 120 HA LEU 14 HA LEU 14 7.478 1.172 -1.297 121 1HB LEU 14 2HB LEU 14 6.633 3.969 -0.723 122 2HB LEU 14 1HB LEU 14 5.519 2.686 -0.259 123 HG LEU 14 HG LEU 14 8.425 2.931 0.561 124 1HD1 LEU 14 1HD1 LEU 14 5.853 3.017 2.171 125 2HD1 LEU 14 2HD1 LEU 14 6.828 4.424 1.748 126 3HD1 LEU 14 3HD1 LEU 14 7.486 3.185 2.817 127 1HD2 LEU 14 1HD2 LEU 14 7.113 0.943 2.063 128 2HD2 LEU 14 2HD2 LEU 14 8.359 0.692 0.840 129 3HD2 LEU 14 3HD2 LEU 14 6.656 0.637 0.387 130 H HIS 15 H HIS 15 6.288 3.155 -3.863 131 HA HIS 15 HA HIS 15 3.636 1.924 -3.947 132 1HB HIS 15 2HB HIS 15 4.298 4.268 -4.814 133 2HB HIS 15 1HB HIS 15 4.957 3.419 -6.212 134 HD1 HIS 15 1HD HIS 15 2.935 4.802 -7.458 135 HD2 HIS 15 2HD HIS 15 1.795 1.664 -4.961 136 HE1 HIS 15 1HE HIS 15 0.551 4.221 -8.081 137 H ASN 16 H ASN 16 6.793 1.279 -5.286 138 HA ASN 16 HA ASN 16 5.870 -0.445 -7.426 139 1HB ASN 16 2HB ASN 16 8.555 -0.232 -6.029 140 2HB ASN 16 1HB ASN 16 8.257 -1.214 -7.464 141 1HD2 ASN 16 1HD2 ASN 16 6.551 0.532 -8.923 142 2HD2 ASN 16 2HD2 ASN 16 7.424 1.925 -9.345 143 H LYS 17 H LYS 17 6.758 -0.918 -4.038 144 HA LYS 17 HA LYS 17 6.646 -3.830 -4.235 145 1HB LYS 17 2HB LYS 17 6.468 -2.155 -1.718 146 2HB LYS 17 1HB LYS 17 7.018 -3.825 -1.863 147 1HG LYS 17 2HG LYS 17 8.800 -2.817 -3.501 148 2HG LYS 17 1HG LYS 17 8.420 -1.297 -2.690 149 1HD LYS 17 2HD LYS 17 9.330 -1.974 -0.690 150 2HD LYS 17 1HD LYS 17 8.907 -3.666 -0.951 151 1HE LYS 17 2HE LYS 17 10.678 -3.675 -2.798 152 2HE LYS 17 1HE LYS 17 11.211 -2.122 -2.155 153 1HZ LYS 17 1HZ LYS 17 10.896 -3.884 -0.012 154 2HZ LYS 17 2HZ LYS 17 12.334 -3.198 -0.603 155 3HZ LYS 17 3HZ LYS 17 11.794 -4.694 -1.202 156 H PHE 18 H PHE 18 4.489 -1.245 -3.103 157 HA PHE 18 HA PHE 18 2.413 -3.080 -2.241 158 1HB PHE 18 2HB PHE 18 2.501 -0.859 -1.270 159 2HB PHE 18 1HB PHE 18 2.378 -0.114 -2.864 160 HD1 PHE 18 1HD PHE 18 0.283 0.697 -3.456 161 HD2 PHE 18 2HD PHE 18 0.546 -2.721 -0.867 162 HE1 PHE 18 1HE PHE 18 -2.191 0.617 -3.311 163 HE2 PHE 18 2HE PHE 18 -1.929 -2.800 -0.721 164 HZ PHE 18 HZ PHE 18 -3.297 -1.131 -1.943 165 H LEU 19 H LEU 19 3.352 -1.675 -5.282 166 HA LEU 19 HA LEU 19 0.738 -2.122 -6.531 167 1HB LEU 19 2HB LEU 19 3.411 -1.117 -7.430 168 2HB LEU 19 1HB LEU 19 2.299 -1.731 -8.652 169 HG LEU 19 HG LEU 19 1.411 0.277 -6.578 170 1HD1 LEU 19 1HD1 LEU 19 1.719 1.861 -8.677 171 2HD1 LEU 19 2HD1 LEU 19 2.957 0.684 -9.115 172 3HD1 LEU 19 3HD1 LEU 19 3.071 1.556 -7.586 173 1HD2 LEU 19 1HD2 LEU 19 0.380 -0.843 -9.170 174 2HD2 LEU 19 2HD2 LEU 19 -0.098 0.785 -8.686 175 3HD2 LEU 19 3HD2 LEU 19 -0.476 -0.589 -7.648 176 H ALA 20 H ALA 20 3.887 -3.763 -6.422 177 HA ALA 20 HA ALA 20 3.058 -5.795 -8.345 178 1HB ALA 20 1HB ALA 20 5.206 -6.695 -6.654 179 2HB ALA 20 2HB ALA 20 5.491 -5.012 -7.099 180 3HB ALA 20 3HB ALA 20 5.270 -6.231 -8.354 181 H ALA 21 H ALA 21 2.816 -5.335 -4.905 182 HA ALA 21 HA ALA 21 2.315 -8.138 -4.293 183 1HB ALA 21 1HB ALA 21 3.138 -6.391 -2.637 184 2HB ALA 21 2HB ALA 21 1.781 -7.367 -2.078 185 3HB ALA 21 3HB ALA 21 1.505 -5.724 -2.651 186 H VAL 22 H VAL 22 0.326 -5.265 -4.930 187 HA VAL 22 HA VAL 22 -2.201 -6.566 -4.411 188 HB VAL 22 HB VAL 22 -1.687 -4.262 -6.310 189 1HG1 VAL 22 1HG1 VAL 22 -3.959 -5.336 -6.253 190 2HG1 VAL 22 2HG1 VAL 22 -3.959 -3.638 -5.776 191 3HG1 VAL 22 3HG1 VAL 22 -4.064 -4.899 -4.548 192 1HG2 VAL 22 1HG2 VAL 22 -2.483 -3.684 -3.530 193 2HG2 VAL 22 2HG2 VAL 22 -1.324 -2.850 -4.567 194 3HG2 VAL 22 3HG2 VAL 22 -0.847 -4.315 -3.709 195 H ASP 23 H ASP 23 -0.364 -5.887 -7.375 196 HA ASP 23 HA ASP 23 -2.161 -7.095 -9.217 197 1HB ASP 23 2HB ASP 23 -0.002 -5.695 -9.609 198 2HB ASP 23 1HB ASP 23 0.829 -7.241 -9.508 199 H HIS 24 H HIS 24 0.525 -8.437 -7.335 200 HA HIS 24 HA HIS 24 0.560 -11.048 -8.417 201 1HB HIS 24 2HB HIS 24 2.246 -10.224 -6.815 202 2HB HIS 24 1HB HIS 24 1.028 -10.211 -5.539 203 HD1 HIS 24 1HD HIS 24 -0.097 -12.644 -5.032 204 HD2 HIS 24 2HD HIS 24 3.506 -12.676 -7.130 205 HE1 HIS 24 1HE HIS 24 0.808 -15.004 -4.865 206 H LEU 25 H LEU 25 -1.738 -9.528 -6.269 207 HA LEU 25 HA LEU 25 -3.093 -12.166 -5.883 208 1HB LEU 25 2HB LEU 25 -3.719 -9.606 -4.407 209 2HB LEU 25 1HB LEU 25 -4.120 -11.259 -3.939 210 HG LEU 25 HG LEU 25 -1.233 -10.586 -4.308 211 1HD1 LEU 25 1HD1 LEU 25 -1.251 -8.945 -2.768 212 2HD1 LEU 25 2HD1 LEU 25 -1.849 -10.114 -1.590 213 3HD1 LEU 25 3HD1 LEU 25 -2.987 -9.143 -2.526 214 1HD2 LEU 25 1HD2 LEU 25 -1.040 -12.184 -2.429 215 2HD2 LEU 25 2HD2 LEU 25 -1.983 -12.875 -3.749 216 3HD2 LEU 25 3HD2 LEU 25 -2.799 -12.257 -2.313 217 H GLY 26 H GLY 26 -3.254 -9.375 -7.761 218 1HA GLY 26 2HA GLY 26 -4.917 -8.906 -9.404 219 2HA GLY 26 1HA GLY 26 -5.992 -10.059 -8.607 220 H VAL 27 H VAL 27 -5.333 -6.780 -9.028 221 HA VAL 27 HA VAL 27 -6.014 -5.577 -6.583 222 HB VAL 27 HB VAL 27 -5.299 -4.201 -8.427 223 1HG1 VAL 27 1HG1 VAL 27 -6.049 -5.431 -10.327 224 2HG1 VAL 27 2HG1 VAL 27 -6.927 -3.903 -10.387 225 3HG1 VAL 27 3HG1 VAL 27 -7.731 -5.360 -9.802 226 1HG2 VAL 27 1HG2 VAL 27 -7.060 -3.316 -6.777 227 2HG2 VAL 27 2HG2 VAL 27 -8.234 -3.558 -8.070 228 3HG2 VAL 27 3HG2 VAL 27 -6.894 -2.433 -8.294 229 H GLU 28 H GLU 28 -7.993 -7.460 -8.685 230 HA GLU 28 HA GLU 28 -10.547 -6.355 -7.871 231 1HB GLU 28 2HB GLU 28 -9.844 -7.961 -9.896 232 2HB GLU 28 1HB GLU 28 -10.344 -9.201 -8.744 233 1HG GLU 28 2HG GLU 28 -12.385 -7.423 -8.467 234 2HG GLU 28 1HG GLU 28 -11.975 -7.178 -10.165 235 H ARG 29 H ARG 29 -8.711 -9.259 -6.870 236 HA ARG 29 HA ARG 29 -10.532 -9.451 -4.505 237 1HB ARG 29 2HB ARG 29 -8.768 -11.556 -5.796 238 2HB ARG 29 1HB ARG 29 -9.753 -11.810 -4.355 239 1HG ARG 29 2HG ARG 29 -11.789 -11.407 -5.585 240 2HG ARG 29 1HG ARG 29 -10.885 -10.888 -7.008 241 1HD ARG 29 2HD ARG 29 -9.816 -13.227 -6.977 242 2HD ARG 29 1HD ARG 29 -11.094 -13.667 -5.844 243 HE ARG 29 HE ARG 29 -12.639 -12.739 -7.775 244 1HH1 ARG 29 1HH2 ARG 29 -10.560 -15.339 -7.668 245 2HH1 ARG 29 2HH2 ARG 29 -10.536 -15.632 -9.375 246 1HH2 ARG 29 1HH1 ARG 29 -12.226 -12.710 -10.168 247 2HH2 ARG 29 2HH1 ARG 29 -11.480 -14.144 -10.790 248 H ALA 30 H ALA 30 -7.843 -7.920 -5.097 249 HA ALA 30 HA ALA 30 -6.031 -9.079 -3.116 250 1HB ALA 30 1HB ALA 30 -5.137 -7.862 -5.059 251 2HB ALA 30 2HB ALA 30 -4.653 -7.073 -3.558 252 3HB ALA 30 3HB ALA 30 -5.961 -6.395 -4.530 253 H VAL 31 H VAL 31 -5.877 -8.520 -0.988 254 HA VAL 31 HA VAL 31 -7.579 -6.246 -0.043 255 HB VAL 31 HB VAL 31 -7.526 -7.690 2.162 256 1HG1 VAL 31 1HG1 VAL 31 -9.694 -7.646 1.531 257 2HG1 VAL 31 2HG1 VAL 31 -9.388 -9.163 0.685 258 3HG1 VAL 31 3HG1 VAL 31 -9.260 -7.631 -0.179 259 1HG2 VAL 31 1HG2 VAL 31 -5.969 -9.389 1.400 260 2HG2 VAL 31 2HG2 VAL 31 -6.954 -9.710 -0.028 261 3HG2 VAL 31 3HG2 VAL 31 -7.555 -10.140 1.573 262 HA PRO 32 HA PRO 32 -3.958 -4.645 1.833 263 1HB PRO 32 2HB PRO 32 -5.039 -3.444 4.063 264 2HB PRO 32 1HB PRO 32 -5.195 -2.790 2.423 265 1HG PRO 32 2HG PRO 32 -7.236 -4.202 4.084 266 2HG PRO 32 1HG PRO 32 -7.467 -2.998 2.806 267 1HD PRO 32 2HD PRO 32 -7.826 -5.781 2.519 268 2HD PRO 32 1HD PRO 32 -7.673 -4.615 1.187 269 H LYS 33 H LYS 33 -6.024 -6.761 3.708 270 HA LYS 33 HA LYS 33 -4.272 -7.081 5.971 271 1HB LYS 33 2HB LYS 33 -6.549 -7.752 6.237 272 2HB LYS 33 1HB LYS 33 -6.495 -8.762 4.795 273 1HG LYS 33 2HG LYS 33 -4.499 -9.419 6.885 274 2HG LYS 33 1HG LYS 33 -6.180 -9.746 7.307 275 1HD LYS 33 2HD LYS 33 -5.992 -10.666 4.695 276 2HD LYS 33 1HD LYS 33 -4.442 -11.129 5.400 277 1HE LYS 33 2HE LYS 33 -5.782 -12.953 5.975 278 2HE LYS 33 1HE LYS 33 -5.919 -11.944 7.415 279 1HZ LYS 33 1HZ LYS 33 -7.994 -12.876 5.949 280 2HZ LYS 33 2HZ LYS 33 -7.827 -11.286 5.371 281 3HZ LYS 33 3HZ LYS 33 -8.067 -11.570 7.030 282 H LYS 34 H LYS 34 -4.868 -9.149 3.109 283 HA LYS 34 HA LYS 34 -2.680 -10.928 3.704 284 1HB LYS 34 2HB LYS 34 -4.277 -10.364 1.198 285 2HB LYS 34 1HB LYS 34 -2.949 -11.524 1.213 286 1HG LYS 34 2HG LYS 34 -5.050 -11.719 3.340 287 2HG LYS 34 1HG LYS 34 -5.419 -12.321 1.723 288 1HD LYS 34 2HD LYS 34 -2.921 -13.365 2.120 289 2HD LYS 34 1HD LYS 34 -3.578 -13.407 3.757 290 1HE LYS 34 2HE LYS 34 -4.633 -15.309 3.148 291 2HE LYS 34 1HE LYS 34 -5.692 -14.290 2.174 292 1HZ LYS 34 1HZ LYS 34 -3.216 -14.773 0.860 293 2HZ LYS 34 2HZ LYS 34 -4.799 -15.073 0.319 294 3HZ LYS 34 3HZ LYS 34 -3.983 -16.232 1.256 295 H ILE 35 H ILE 35 -2.985 -8.029 1.655 296 HA ILE 35 HA ILE 35 -0.335 -8.223 0.574 297 HB ILE 35 HB ILE 35 -2.223 -5.894 0.944 298 1HG1 ILE 35 2HG1 ILE 35 -1.469 -7.820 -1.217 299 2HG1 ILE 35 1HG1 ILE 35 -3.046 -7.146 -0.824 300 1HG2 ILE 35 1HG2 ILE 35 0.109 -5.073 1.092 301 2HG2 ILE 35 2HG2 ILE 35 -0.641 -4.571 -0.423 302 3HG2 ILE 35 3HG2 ILE 35 0.499 -5.916 -0.408 303 1HD1 ILE 35 1HD1 ILE 35 -2.686 -5.904 -2.706 304 2HD1 ILE 35 2HD1 ILE 35 -0.935 -6.101 -2.621 305 3HD1 ILE 35 3HD1 ILE 35 -1.737 -4.895 -1.614 306 H LEU 36 H LEU 36 -1.603 -7.126 3.636 307 HA LEU 36 HA LEU 36 0.504 -5.474 4.527 308 1HB LEU 36 2HB LEU 36 -1.450 -5.803 5.932 309 2HB LEU 36 1HB LEU 36 -1.121 -7.532 6.056 310 HG LEU 36 HG LEU 36 1.045 -7.003 7.175 311 1HD1 LEU 36 1HD1 LEU 36 0.343 -4.282 7.908 312 2HD1 LEU 36 2HD1 LEU 36 0.532 -4.435 6.161 313 3HD1 LEU 36 3HD1 LEU 36 1.852 -4.899 7.234 314 1HD2 LEU 36 1HD2 LEU 36 -0.578 -5.546 9.024 315 2HD2 LEU 36 2HD2 LEU 36 -0.157 -7.259 9.063 316 3HD2 LEU 36 3HD2 LEU 36 -1.607 -6.727 8.214 317 H ASP 37 H ASP 37 0.285 -8.990 4.248 318 HA ASP 37 HA ASP 37 2.868 -9.468 5.512 319 1HB ASP 37 2HB ASP 37 1.365 -11.270 3.587 320 2HB ASP 37 1HB ASP 37 2.596 -11.753 4.756 321 H LEU 38 H LEU 38 1.673 -8.922 2.246 322 HA LEU 38 HA LEU 38 3.992 -9.647 0.775 323 1HB LEU 38 2HB LEU 38 1.730 -7.715 0.328 324 2HB LEU 38 1HB LEU 38 3.095 -7.732 -0.790 325 HG LEU 38 HG LEU 38 1.883 -10.360 -0.060 326 1HD1 LEU 38 1HD1 LEU 38 0.360 -8.169 -1.170 327 2HD1 LEU 38 2HD1 LEU 38 -0.175 -9.806 -0.793 328 3HD1 LEU 38 3HD1 LEU 38 0.529 -9.450 -2.370 329 1HD2 LEU 38 1HD2 LEU 38 2.966 -11.025 -1.946 330 2HD2 LEU 38 2HD2 LEU 38 3.835 -9.497 -1.799 331 3HD2 LEU 38 3HD2 LEU 38 2.430 -9.614 -2.858 332 H MET 39 H MET 39 3.179 -6.712 2.571 333 HA MET 39 HA MET 39 5.544 -5.278 1.613 334 1HB MET 39 2HB MET 39 3.808 -4.599 4.001 335 2HB MET 39 1HB MET 39 4.832 -3.504 3.071 336 1HG MET 39 2HG MET 39 2.516 -5.014 1.842 337 2HG MET 39 1HG MET 39 2.346 -3.397 2.528 338 1HE MET 39 1HE MET 39 4.407 -1.715 2.096 339 2HE MET 39 2HE MET 39 2.931 -1.216 1.273 340 3HE MET 39 3HE MET 39 4.476 -1.117 0.433 341 H ASN 40 H ASN 40 4.527 -6.666 4.756 342 HA ASN 40 HA ASN 40 5.826 -7.286 6.614 343 1HB ASN 40 2HB ASN 40 6.633 -8.785 4.548 344 2HB ASN 40 1HB ASN 40 8.131 -7.890 4.808 345 1HD2 ASN 40 1HD2 ASN 40 9.455 -8.587 6.520 346 2HD2 ASN 40 2HD2 ASN 40 8.983 -9.713 7.697 347 H VAL 41 H VAL 41 6.086 -4.526 5.404 348 HA VAL 41 HA VAL 41 8.861 -3.750 5.925 349 HB VAL 41 HB VAL 41 6.439 -1.956 5.615 350 1HG1 VAL 41 1HG1 VAL 41 8.162 -0.563 6.300 351 2HG1 VAL 41 2HG1 VAL 41 8.443 -0.570 4.559 352 3HG1 VAL 41 3HG1 VAL 41 9.413 -1.599 5.612 353 1HG2 VAL 41 1HG2 VAL 41 6.939 -1.906 3.234 354 2HG2 VAL 41 2HG2 VAL 41 6.701 -3.584 3.722 355 3HG2 VAL 41 3HG2 VAL 41 8.332 -2.964 3.468 356 H ASP 42 H ASP 42 9.465 -2.249 7.651 357 HA ASP 42 HA ASP 42 8.038 -2.868 10.156 358 1HB ASP 42 2HB ASP 42 9.966 -1.616 11.196 359 2HB ASP 42 1HB ASP 42 10.451 -3.014 10.236 360 H LYS 43 H LYS 43 7.079 -1.274 11.486 361 HA LYS 43 HA LYS 43 6.151 0.827 12.031 362 1HB LYS 43 2HB LYS 43 8.427 1.599 10.906 363 2HB LYS 43 1HB LYS 43 7.353 2.092 9.597 364 1HG LYS 43 2HG LYS 43 7.107 3.999 10.808 365 2HG LYS 43 1HG LYS 43 6.002 3.032 11.787 366 1HD LYS 43 2HD LYS 43 7.610 4.108 13.262 367 2HD LYS 43 1HD LYS 43 7.938 2.376 13.233 368 1HE LYS 43 2HE LYS 43 10.080 3.150 12.873 369 2HE LYS 43 1HE LYS 43 9.521 3.097 11.201 370 1HZ LYS 43 1HZ LYS 43 10.600 5.240 12.093 371 2HZ LYS 43 2HZ LYS 43 9.094 5.513 12.832 372 3HZ LYS 43 3HZ LYS 43 9.202 5.364 11.143 373 H LEU 44 H LEU 44 5.568 -1.041 9.392 374 HA LEU 44 HA LEU 44 3.430 0.755 8.338 375 1HB LEU 44 2HB LEU 44 4.942 -1.575 7.189 376 2HB LEU 44 1HB LEU 44 3.349 -1.167 6.552 377 HG LEU 44 HG LEU 44 5.745 0.684 6.720 378 1HD1 LEU 44 1HD1 LEU 44 6.219 -0.223 4.709 379 2HD1 LEU 44 2HD1 LEU 44 4.745 0.535 4.108 380 3HD1 LEU 44 3HD1 LEU 44 4.706 -1.128 4.694 381 1HD2 LEU 44 1HD2 LEU 44 2.843 1.126 6.027 382 2HD2 LEU 44 2HD2 LEU 44 4.098 2.144 5.321 383 3HD2 LEU 44 3HD2 LEU 44 3.887 2.092 7.071 384 H THR 45 H THR 45 1.449 0.378 9.193 385 HA THR 45 HA THR 45 0.865 -2.331 10.284 386 HB THR 45 HB THR 45 -1.216 -0.993 11.172 387 HG1 THR 45 1HG THR 45 -0.404 0.834 9.772 388 1HG2 THR 45 1HG2 THR 45 -0.081 -0.702 13.179 389 2HG2 THR 45 2HG2 THR 45 1.381 -0.117 12.385 390 3HG2 THR 45 3HG2 THR 45 0.987 -1.835 12.351 391 H ARG 46 H ARG 46 -1.474 -3.060 9.926 392 HA ARG 46 HA ARG 46 -2.017 -3.025 7.066 393 1HB ARG 46 2HB ARG 46 -2.409 -5.009 8.579 394 2HB ARG 46 1HB ARG 46 -3.768 -4.130 9.280 395 1HG ARG 46 2HG ARG 46 -4.578 -3.858 6.828 396 2HG ARG 46 1HG ARG 46 -3.450 -5.167 6.468 397 1HD ARG 46 2HD ARG 46 -5.712 -6.048 6.931 398 2HD ARG 46 1HD ARG 46 -4.556 -6.594 8.145 399 HE ARG 46 HE ARG 46 -6.136 -4.165 8.772 400 1HH1 ARG 46 1HH1 ARG 46 -6.627 -7.479 8.692 401 2HH1 ARG 46 2HH1 ARG 46 -7.017 -7.642 10.371 402 1HH2 ARG 46 1HH2 ARG 46 -6.152 -4.379 11.162 403 2HH2 ARG 46 2HH2 ARG 46 -6.749 -5.888 11.770 404 H GLU 47 H GLU 47 -3.093 -1.209 9.813 405 HA GLU 47 HA GLU 47 -5.596 -0.321 8.602 406 1HB GLU 47 2HB GLU 47 -4.010 0.780 10.945 407 2HB GLU 47 1HB GLU 47 -5.638 1.291 10.494 408 1HG GLU 47 2HG GLU 47 -6.593 -0.756 11.099 409 2HG GLU 47 1HG GLU 47 -5.065 -1.624 10.953 410 H ASN 48 H ASN 48 -2.262 0.780 8.666 411 HA ASN 48 HA ASN 48 -2.775 3.456 7.726 412 1HB ASN 48 2HB ASN 48 -0.386 1.661 7.895 413 2HB ASN 48 1HB ASN 48 -0.291 3.076 6.845 414 1HD2 ASN 48 1HD2 ASN 48 -1.502 5.099 8.142 415 2HD2 ASN 48 2HD2 ASN 48 -0.868 5.340 9.698 416 H VAL 49 H VAL 49 -2.030 0.391 6.072 417 HA VAL 49 HA VAL 49 -2.196 1.668 3.435 418 HB VAL 49 HB VAL 49 -2.119 -1.289 4.101 419 1HG1 VAL 49 1HG1 VAL 49 -1.941 -1.628 1.868 420 2HG1 VAL 49 2HG1 VAL 49 -0.808 -0.290 1.675 421 3HG1 VAL 49 3HG1 VAL 49 -2.544 0.020 1.696 422 1HG2 VAL 49 1HG2 VAL 49 -0.223 0.027 5.114 423 2HG2 VAL 49 2HG2 VAL 49 0.202 0.568 3.491 424 3HG2 VAL 49 3HG2 VAL 49 0.297 -1.144 3.900 425 H ALA 50 H ALA 50 -4.302 -0.016 5.638 426 HA ALA 50 HA ALA 50 -6.308 -0.767 3.702 427 1HB ALA 50 1HB ALA 50 -6.723 -1.940 5.622 428 2HB ALA 50 2HB ALA 50 -7.719 -0.537 6.011 429 3HB ALA 50 3HB ALA 50 -6.083 -0.665 6.658 430 H SER 51 H SER 51 -5.458 2.212 5.239 431 HA SER 51 HA SER 51 -8.079 3.458 4.863 432 1HB SER 51 2HB SER 51 -5.428 4.829 5.362 433 2HB SER 51 1HB SER 51 -7.038 5.471 5.674 434 HG SER 51 HG SER 51 -6.954 4.518 7.533 435 H HIS 52 H HIS 52 -4.920 3.538 3.221 436 HA HIS 52 HA HIS 52 -5.824 5.427 1.202 437 1HB HIS 52 2HB HIS 52 -3.400 4.985 1.937 438 2HB HIS 52 1HB HIS 52 -3.483 3.534 0.937 439 HD1 HIS 52 1HD HIS 52 -1.511 5.127 -0.308 440 HD2 HIS 52 2HD HIS 52 -5.514 6.165 -0.841 441 HE1 HIS 52 1HE HIS 52 -1.600 6.603 -2.363 442 H LEU 53 H LEU 53 -5.817 1.944 1.560 443 HA LEU 53 HA LEU 53 -6.400 1.446 -1.266 444 1HB LEU 53 2HB LEU 53 -5.218 -0.243 0.089 445 2HB LEU 53 1HB LEU 53 -6.619 -0.375 1.151 446 HG LEU 53 HG LEU 53 -7.992 -1.038 -0.845 447 1HD1 LEU 53 1HD1 LEU 53 -5.446 -0.403 -2.152 448 2HD1 LEU 53 2HD1 LEU 53 -7.062 -0.532 -2.846 449 3HD1 LEU 53 3HD1 LEU 53 -6.082 -1.980 -2.619 450 1HD2 LEU 53 1HD2 LEU 53 -7.368 -3.289 -0.691 451 2HD2 LEU 53 2HD2 LEU 53 -6.646 -2.618 0.772 452 3HD2 LEU 53 3HD2 LEU 53 -5.645 -2.910 -0.651 453 H GLN 54 H GLN 54 -8.200 2.146 1.621 454 HA GLN 54 HA GLN 54 -10.729 1.085 0.612 455 1HB GLN 54 2HB GLN 54 -9.843 2.638 3.014 456 2HB GLN 54 1HB GLN 54 -11.552 2.680 2.576 457 1HG GLN 54 2HG GLN 54 -11.461 0.137 2.468 458 2HG GLN 54 1HG GLN 54 -9.872 0.250 3.225 459 1HE2 GLN 54 1HE2 GLN 54 -13.317 0.492 3.802 460 2HE2 GLN 54 2HE2 GLN 54 -13.214 0.798 5.469 461 H LYS 55 H LYS 55 -9.146 4.257 0.787 462 HA LYS 55 HA LYS 55 -11.451 5.668 -0.300 463 1HB LYS 55 2HB LYS 55 -8.627 6.357 0.397 464 2HB LYS 55 1HB LYS 55 -9.473 7.411 -0.737 465 1HG LYS 55 2HG LYS 55 -10.929 8.177 0.851 466 2HG LYS 55 1HG LYS 55 -11.008 6.620 1.675 467 1HD LYS 55 2HD LYS 55 -8.557 7.112 2.381 468 2HD LYS 55 1HD LYS 55 -8.922 8.779 1.937 469 1HE LYS 55 2HE LYS 55 -10.926 7.404 3.649 470 2HE LYS 55 1HE LYS 55 -9.384 7.795 4.409 471 1HZ LYS 55 1HZ LYS 55 -10.959 9.606 4.642 472 2HZ LYS 55 2HZ LYS 55 -11.136 9.704 2.955 473 3HZ LYS 55 3HZ LYS 55 -9.647 10.083 3.680 474 H PHE 56 H PHE 56 -8.670 4.002 -1.610 475 HA PHE 56 HA PHE 56 -8.902 5.202 -4.262 476 1HB PHE 56 2HB PHE 56 -6.764 4.235 -3.370 477 2HB PHE 56 1HB PHE 56 -7.501 2.634 -3.449 478 HD1 PHE 56 1HD PHE 56 -6.304 1.546 -5.176 479 HD2 PHE 56 2HD PHE 56 -7.881 5.488 -5.824 480 HE1 PHE 56 1HE PHE 56 -5.711 1.388 -7.579 481 HE2 PHE 56 2HE PHE 56 -7.288 5.330 -8.228 482 HZ PHE 56 HZ PHE 56 -6.203 3.281 -9.105 483 H ARG 57 H ARG 57 -9.805 2.050 -2.818 484 HA ARG 57 HA ARG 57 -10.948 0.926 -5.172 485 1HB ARG 57 2HB ARG 57 -11.354 0.516 -2.224 486 2HB ARG 57 1HB ARG 57 -12.503 -0.214 -3.346 487 1HG ARG 57 2HG ARG 57 -9.658 -0.561 -4.077 488 2HG ARG 57 1HG ARG 57 -10.154 -1.388 -2.600 489 1HD ARG 57 2HD ARG 57 -12.162 -2.251 -3.956 490 2HD ARG 57 1HD ARG 57 -11.282 -1.706 -5.384 491 HE ARG 57 HE ARG 57 -9.444 -3.279 -4.678 492 1HH1 ARG 57 1HH2 ARG 57 -12.683 -4.087 -4.613 493 2HH1 ARG 57 2HH2 ARG 57 -12.492 -5.540 -3.688 494 1HH2 ARG 57 1HH1 ARG 57 -9.154 -4.952 -2.956 495 2HH2 ARG 57 2HH1 ARG 57 -10.495 -6.029 -2.750 496 H VAL 58 H VAL 58 -12.331 3.031 -2.661 497 HA VAL 58 HA VAL 58 -14.991 3.091 -3.758 498 HB VAL 58 HB VAL 58 -13.447 5.019 -2.001 499 1HG1 VAL 58 1HG1 VAL 58 -16.146 5.253 -3.273 500 2HG1 VAL 58 2HG1 VAL 58 -14.966 6.512 -2.910 501 3HG1 VAL 58 3HG1 VAL 58 -15.952 5.828 -1.617 502 1HG2 VAL 58 1HG2 VAL 58 -14.147 3.647 -0.357 503 2HG2 VAL 58 2HG2 VAL 58 -14.889 2.593 -1.561 504 3HG2 VAL 58 3HG2 VAL 58 -15.822 3.907 -0.846 505 H ALA 59 H ALA 59 -12.056 4.981 -4.301 506 HA ALA 59 HA ALA 59 -13.312 6.845 -6.146 507 1HB ALA 59 1HB ALA 59 -11.056 7.035 -4.767 508 2HB ALA 59 2HB ALA 59 -11.207 7.813 -6.342 509 3HB ALA 59 3HB ALA 59 -10.372 6.265 -6.198 510 H LEU 60 H LEU 60 -12.326 3.609 -6.323 511 HA LEU 60 HA LEU 60 -11.858 3.709 -9.254 512 1HB LEU 60 2HB LEU 60 -11.281 1.767 -7.059 513 2HB LEU 60 1HB LEU 60 -11.549 1.111 -8.672 514 HG LEU 60 HG LEU 60 -9.534 3.256 -7.937 515 1HD1 LEU 60 1HD1 LEU 60 -8.365 1.399 -7.322 516 2HD1 LEU 60 2HD1 LEU 60 -8.157 1.181 -9.059 517 3HD1 LEU 60 3HD1 LEU 60 -9.435 0.313 -8.209 518 1HD2 LEU 60 1HD2 LEU 60 -9.806 3.826 -10.121 519 2HD2 LEU 60 2HD2 LEU 60 -10.697 2.349 -10.487 520 3HD2 LEU 60 3HD2 LEU 60 -8.934 2.332 -10.464 521 H LYS 61 H LYS 61 -14.328 3.063 -6.970 522 HA LYS 61 HA LYS 61 -15.818 1.204 -8.683 523 1HB LYS 61 2HB LYS 61 -16.022 1.071 -6.228 524 2HB LYS 61 1HB LYS 61 -16.664 2.714 -6.191 525 1HG LYS 61 2HG LYS 61 -18.704 1.755 -6.389 526 2HG LYS 61 1HG LYS 61 -18.266 1.465 -8.073 527 1HD LYS 61 2HD LYS 61 -18.864 -0.678 -7.314 528 2HD LYS 61 1HD LYS 61 -17.107 -0.681 -7.161 529 1HE LYS 61 2HE LYS 61 -17.193 -0.805 -4.899 530 2HE LYS 61 1HE LYS 61 -18.484 0.392 -4.798 531 1HZ LYS 61 1HZ LYS 61 -20.088 -1.184 -4.936 532 2HZ LYS 61 2HZ LYS 61 -18.876 -2.136 -4.219 533 3HZ LYS 61 3HZ LYS 61 -19.157 -2.231 -5.892 534 H LYS 62 H LYS 62 -15.712 4.655 -8.058 535 HA LYS 62 HA LYS 62 -18.235 5.242 -9.374 536 1HB LYS 62 2HB LYS 62 -16.556 6.671 -7.753 537 2HB LYS 62 1HB LYS 62 -16.169 7.356 -9.331 538 1HG LYS 62 2HG LYS 62 -18.096 8.515 -9.346 539 2HG LYS 62 1HG LYS 62 -19.021 7.032 -9.107 540 1HD LYS 62 2HD LYS 62 -19.447 8.598 -7.264 541 2HD LYS 62 1HD LYS 62 -18.592 7.174 -6.668 542 1HE LYS 62 2HE LYS 62 -16.450 8.639 -7.211 543 2HE LYS 62 1HE LYS 62 -17.590 9.973 -7.030 544 1HZ LYS 62 1HZ LYS 62 -16.690 8.014 -5.040 545 2HZ LYS 62 2HZ LYS 62 -18.253 8.666 -4.895 546 3HZ LYS 62 3HZ LYS 62 -16.897 9.690 -4.886 547 H VAL 63 H VAL 63 -14.860 5.963 -10.358 548 HA VAL 63 HA VAL 63 -15.365 6.709 -13.001 549 HB VAL 63 HB VAL 63 -13.125 6.836 -12.026 550 1HG1 VAL 63 1HG1 VAL 63 -13.433 4.599 -10.799 551 2HG1 VAL 63 2HG1 VAL 63 -11.834 4.916 -11.473 552 3HG1 VAL 63 3HG1 VAL 63 -12.945 3.832 -12.310 553 1HG2 VAL 63 1HG2 VAL 63 -13.037 6.837 -14.392 554 2HG2 VAL 63 2HG2 VAL 63 -13.468 5.130 -14.494 555 3HG2 VAL 63 3HG2 VAL 63 -11.866 5.603 -13.927 556 H SER 64 H SER 64 -16.187 5.642 -14.738 557 HA SER 64 HA SER 64 -16.900 3.876 -16.109 558 1HB SER 64 2HB SER 64 -15.049 2.075 -14.547 559 2HB SER 64 1HB SER 64 -15.536 1.943 -16.235 560 HG SER 64 HG SER 64 -13.371 2.888 -15.677 Start of MODEL 5 1 1H THR 1 1HT THR 1 23.452 7.119 -10.580 2 2H THR 1 2HT THR 1 24.909 7.863 -10.123 3 3H THR 1 3HT THR 1 24.507 7.712 -11.767 4 HA THR 1 HA THR 1 24.004 9.913 -11.338 5 HB THR 1 HB THR 1 21.303 9.173 -10.566 6 HG1 THR 1 1HG THR 1 21.029 7.433 -11.715 7 1HG2 THR 1 1HG2 THR 1 22.771 10.521 -12.738 8 2HG2 THR 1 2HG2 THR 1 21.235 10.946 -11.981 9 3HG2 THR 1 3HG2 THR 1 21.284 9.721 -13.248 10 H ALA 2 H ALA 2 21.914 8.349 -8.901 11 HA ALA 2 HA ALA 2 23.176 9.117 -6.551 12 1HB ALA 2 1HB ALA 2 23.136 11.366 -6.470 13 2HB ALA 2 2HB ALA 2 21.374 11.314 -6.538 14 3HB ALA 2 3HB ALA 2 22.311 11.427 -8.028 15 H GLN 3 H GLN 3 22.038 7.664 -5.353 16 HA GLN 3 HA GLN 3 19.057 7.689 -5.589 17 1HB GLN 3 2HB GLN 3 21.028 5.555 -5.418 18 2HB GLN 3 1HB GLN 3 19.818 5.413 -4.143 19 1HG GLN 3 2HG GLN 3 18.870 6.039 -6.908 20 2HG GLN 3 1HG GLN 3 19.391 4.389 -6.566 21 1HE2 GLN 3 1HE2 GLN 3 16.652 4.931 -7.122 22 2HE2 GLN 3 2HE2 GLN 3 15.749 4.691 -5.705 23 H LYS 4 H LYS 4 17.978 8.514 -3.862 24 HA LYS 4 HA LYS 4 19.100 8.182 -1.147 25 1HB LYS 4 2HB LYS 4 18.778 10.630 -0.671 26 2HB LYS 4 1HB LYS 4 20.078 10.302 -1.817 27 1HG LYS 4 2HG LYS 4 19.055 11.565 -3.369 28 2HG LYS 4 1HG LYS 4 17.624 10.539 -3.276 29 1HD LYS 4 2HD LYS 4 16.821 11.838 -1.333 30 2HD LYS 4 1HD LYS 4 18.244 12.875 -1.443 31 1HE LYS 4 2HE LYS 4 16.545 12.514 -3.883 32 2HE LYS 4 1HE LYS 4 15.970 13.585 -2.605 33 1HZ LYS 4 1HZ LYS 4 17.916 14.098 -4.548 34 2HZ LYS 4 2HZ LYS 4 18.684 14.105 -3.033 35 3HZ LYS 4 3HZ LYS 4 17.360 15.129 -3.322 36 H LYS 5 H LYS 5 17.474 7.949 0.354 37 HA LYS 5 HA LYS 5 14.719 8.774 -0.430 38 1HB LYS 5 2HB LYS 5 13.828 6.628 0.363 39 2HB LYS 5 1HB LYS 5 14.988 6.360 -0.939 40 1HG LYS 5 2HG LYS 5 16.090 4.969 0.449 41 2HG LYS 5 1HG LYS 5 16.534 6.386 1.400 42 1HD LYS 5 2HD LYS 5 14.056 6.027 2.359 43 2HD LYS 5 1HD LYS 5 14.404 4.360 1.898 44 1HE LYS 5 2HE LYS 5 16.717 4.898 3.121 45 2HE LYS 5 1HE LYS 5 15.709 6.067 3.975 46 1HZ LYS 5 1HZ LYS 5 14.404 4.429 4.871 47 2HZ LYS 5 2HZ LYS 5 15.912 3.644 4.842 48 3HZ LYS 5 3HZ LYS 5 14.753 3.308 3.646 49 HA PRO 6 HA PRO 6 15.489 10.211 3.796 50 1HB PRO 6 2HB PRO 6 13.789 12.362 3.572 51 2HB PRO 6 1HB PRO 6 15.479 12.387 3.042 52 1HG PRO 6 2HG PRO 6 12.998 12.227 1.394 53 2HG PRO 6 1HG PRO 6 14.591 12.875 0.966 54 1HD PRO 6 2HD PRO 6 13.573 10.354 0.192 55 2HD PRO 6 1HD PRO 6 15.268 10.874 0.076 56 H ARG 7 H ARG 7 14.394 8.969 5.273 57 HA ARG 7 HA ARG 7 12.610 7.837 6.316 58 1HB ARG 7 2HB ARG 7 12.250 10.595 6.438 59 2HB ARG 7 1HB ARG 7 10.683 9.994 5.894 60 1HG ARG 7 2HG ARG 7 10.266 9.514 8.063 61 2HG ARG 7 1HG ARG 7 11.415 8.187 7.878 62 1HD ARG 7 2HD ARG 7 12.558 9.222 9.548 63 2HD ARG 7 1HD ARG 7 13.099 10.315 8.273 64 HE ARG 7 HE ARG 7 11.179 11.810 8.940 65 1HH1 ARG 7 1HH2 ARG 7 10.156 9.496 10.795 66 2HH1 ARG 7 2HH2 ARG 7 10.520 10.184 12.342 67 1HH2 ARG 7 1HH1 ARG 7 12.590 12.651 11.055 68 2HH2 ARG 7 2HH1 ARG 7 11.897 11.970 12.489 69 H VAL 8 H VAL 8 12.168 6.217 4.743 70 HA VAL 8 HA VAL 8 10.254 6.842 2.588 71 HB VAL 8 HB VAL 8 12.037 4.544 3.285 72 1HG1 VAL 8 1HG1 VAL 8 10.148 3.187 3.049 73 2HG1 VAL 8 2HG1 VAL 8 10.719 3.290 1.384 74 3HG1 VAL 8 3HG1 VAL 8 9.371 4.294 1.918 75 1HG2 VAL 8 1HG2 VAL 8 11.257 5.532 0.553 76 2HG2 VAL 8 2HG2 VAL 8 12.784 4.827 1.081 77 3HG2 VAL 8 3HG2 VAL 8 12.364 6.474 1.550 78 H LEU 9 H LEU 9 8.382 7.336 3.859 79 HA LEU 9 HA LEU 9 7.238 5.037 5.384 80 1HB LEU 9 2HB LEU 9 7.577 7.364 6.464 81 2HB LEU 9 1HB LEU 9 6.229 7.881 5.452 82 HG LEU 9 HG LEU 9 4.944 5.878 6.410 83 1HD1 LEU 9 1HD1 LEU 9 6.403 4.482 7.507 84 2HD1 LEU 9 2HD1 LEU 9 5.987 5.525 8.868 85 3HD1 LEU 9 3HD1 LEU 9 7.479 5.800 7.970 86 1HD2 LEU 9 1HD2 LEU 9 5.530 7.633 8.715 87 2HD2 LEU 9 2HD2 LEU 9 3.999 7.328 7.894 88 3HD2 LEU 9 3HD2 LEU 9 5.145 8.486 7.220 89 H TRP 10 H TRP 10 6.830 7.141 2.651 90 HA TRP 10 HA TRP 10 4.819 5.451 1.469 91 1HB TRP 10 2HB TRP 10 3.948 7.897 2.956 92 2HB TRP 10 1HB TRP 10 3.162 7.550 1.416 93 HD1 TRP 10 HD TRP 10 2.621 6.934 4.884 94 HE1 TRP 10 1HE TRP 10 1.243 4.794 5.303 95 HE3 TRP 10 3HE TRP 10 3.041 4.703 0.310 96 HZ2 TRP 10 2HZ TRP 10 0.427 2.448 3.884 97 HZ3 TRP 10 3HZ TRP 10 1.955 2.519 -0.130 98 HH2 TRP 10 HH TRP 10 0.649 1.390 1.650 99 H THR 11 H THR 11 7.000 5.989 0.221 100 HA THR 11 HA THR 11 6.522 8.405 -1.478 101 HB THR 11 HB THR 11 8.915 8.398 -1.951 102 HG1 THR 11 1HG THR 11 9.086 6.189 -0.191 103 1HG2 THR 11 1HG2 THR 11 8.590 9.665 -0.034 104 2HG2 THR 11 2HG2 THR 11 9.721 8.452 0.566 105 3HG2 THR 11 3HG2 THR 11 7.996 8.292 0.898 106 H HIS 12 H HIS 12 7.577 8.012 -3.769 107 HA HIS 12 HA HIS 12 6.070 6.157 -5.196 108 1HB HIS 12 2HB HIS 12 8.886 7.053 -5.865 109 2HB HIS 12 1HB HIS 12 7.715 6.388 -7.005 110 HD1 HIS 12 1HD HIS 12 5.215 7.844 -6.600 111 HD2 HIS 12 2HD HIS 12 8.873 9.792 -6.148 112 HE1 HIS 12 1HE HIS 12 4.746 10.319 -6.863 113 H GLU 13 H GLU 13 9.031 5.609 -3.395 114 HA GLU 13 HA GLU 13 9.615 3.016 -4.530 115 1HB GLU 13 2HB GLU 13 11.167 4.561 -3.156 116 2HB GLU 13 1HB GLU 13 10.360 3.892 -1.741 117 1HG GLU 13 2HG GLU 13 11.028 1.717 -3.463 118 2HG GLU 13 1HG GLU 13 12.465 2.724 -3.288 119 H LEU 14 H LEU 14 8.139 3.994 -1.421 120 HA LEU 14 HA LEU 14 7.418 1.356 -0.617 121 1HB LEU 14 2HB LEU 14 6.614 4.117 0.160 122 2HB LEU 14 1HB LEU 14 5.548 2.801 0.649 123 HG LEU 14 HG LEU 14 8.532 2.814 1.145 124 1HD1 LEU 14 1HD1 LEU 14 7.811 3.242 3.542 125 2HD1 LEU 14 2HD1 LEU 14 6.211 3.634 2.910 126 3HD1 LEU 14 3HD1 LEU 14 7.604 4.613 2.451 127 1HD2 LEU 14 1HD2 LEU 14 7.077 1.204 2.968 128 2HD2 LEU 14 2HD2 LEU 14 8.166 0.659 1.693 129 3HD2 LEU 14 3HD2 LEU 14 6.443 0.840 1.363 130 H HIS 15 H HIS 15 6.022 3.481 -2.960 131 HA HIS 15 HA HIS 15 3.369 2.267 -2.904 132 1HB HIS 15 2HB HIS 15 3.960 4.634 -3.710 133 2HB HIS 15 1HB HIS 15 4.555 3.863 -5.180 134 HD1 HIS 15 1HD HIS 15 2.439 5.354 -6.178 135 HD2 HIS 15 2HD HIS 15 1.499 1.959 -3.949 136 HE1 HIS 15 1HE HIS 15 0.040 4.770 -6.741 137 H ASN 16 H ASN 16 6.405 1.568 -4.437 138 HA ASN 16 HA ASN 16 5.264 -0.033 -6.589 139 1HB ASN 16 2HB ASN 16 8.017 0.489 -5.526 140 2HB ASN 16 1HB ASN 16 7.762 -0.911 -6.568 141 1HD2 ASN 16 1HD2 ASN 16 9.237 0.476 -8.062 142 2HD2 ASN 16 2HD2 ASN 16 8.465 1.601 -9.071 143 H LYS 17 H LYS 17 6.372 -0.625 -3.302 144 HA LYS 17 HA LYS 17 6.357 -3.527 -3.588 145 1HB LYS 17 2HB LYS 17 6.372 -1.734 -1.141 146 2HB LYS 17 1HB LYS 17 6.528 -3.490 -1.085 147 1HG LYS 17 2HG LYS 17 8.501 -3.237 -2.683 148 2HG LYS 17 1HG LYS 17 8.422 -1.505 -2.359 149 1HD LYS 17 2HD LYS 17 9.097 -1.744 -0.155 150 2HD LYS 17 1HD LYS 17 8.460 -3.384 -0.030 151 1HE LYS 17 2HE LYS 17 10.700 -3.895 -0.178 152 2HE LYS 17 1HE LYS 17 10.327 -3.829 -1.901 153 1HZ LYS 17 1HZ LYS 17 11.028 -1.320 -0.590 154 2HZ LYS 17 2HZ LYS 17 11.392 -1.867 -2.157 155 3HZ LYS 17 3HZ LYS 17 12.282 -2.437 -0.827 156 H PHE 18 H PHE 18 4.132 -1.094 -2.233 157 HA PHE 18 HA PHE 18 2.168 -3.064 -1.415 158 1HB PHE 18 2HB PHE 18 2.210 -0.892 -0.328 159 2HB PHE 18 1HB PHE 18 1.966 -0.074 -1.871 160 HD1 PHE 18 1HD PHE 18 -0.184 0.769 -2.125 161 HD2 PHE 18 2HD PHE 18 0.364 -2.988 -0.115 162 HE1 PHE 18 1HE PHE 18 -2.640 0.553 -1.860 163 HE2 PHE 18 2HE PHE 18 -2.093 -3.203 0.150 164 HZ PHE 18 HZ PHE 18 -3.594 -1.433 -0.723 165 H LEU 19 H LEU 19 2.874 -1.366 -4.385 166 HA LEU 19 HA LEU 19 0.250 -1.939 -5.562 167 1HB LEU 19 2HB LEU 19 2.778 -0.627 -6.464 168 2HB LEU 19 1HB LEU 19 1.703 -1.273 -7.703 169 HG LEU 19 HG LEU 19 0.760 0.560 -5.486 170 1HD1 LEU 19 1HD1 LEU 19 2.300 1.867 -6.769 171 2HD1 LEU 19 2HD1 LEU 19 0.696 2.273 -7.379 172 3HD1 LEU 19 3HD1 LEU 19 1.731 1.170 -8.286 173 1HD2 LEU 19 1HD2 LEU 19 -1.239 -0.141 -6.282 174 2HD2 LEU 19 2HD2 LEU 19 -0.489 -0.940 -7.663 175 3HD2 LEU 19 3HD2 LEU 19 -0.867 0.782 -7.739 176 H ALA 20 H ALA 20 3.487 -3.360 -5.601 177 HA ALA 20 HA ALA 20 2.789 -5.266 -7.702 178 1HB ALA 20 1HB ALA 20 5.101 -4.802 -7.612 179 2HB ALA 20 2HB ALA 20 4.977 -6.377 -6.827 180 3HB ALA 20 3HB ALA 20 5.146 -4.916 -5.852 181 H ALA 21 H ALA 21 2.492 -5.104 -4.249 182 HA ALA 21 HA ALA 21 2.212 -7.993 -3.895 183 1HB ALA 21 1HB ALA 21 1.665 -7.481 -1.611 184 2HB ALA 21 2HB ALA 21 1.263 -5.813 -2.016 185 3HB ALA 21 3HB ALA 21 2.940 -6.355 -2.079 186 H VAL 22 H VAL 22 0.051 -5.193 -4.187 187 HA VAL 22 HA VAL 22 -2.399 -6.650 -3.807 188 HB VAL 22 HB VAL 22 -2.007 -4.186 -5.526 189 1HG1 VAL 22 1HG1 VAL 22 -4.336 -4.796 -3.730 190 2HG1 VAL 22 2HG1 VAL 22 -4.234 -5.544 -5.324 191 3HG1 VAL 22 3HG1 VAL 22 -4.281 -3.788 -5.176 192 1HG2 VAL 22 1HG2 VAL 22 -1.702 -2.888 -3.679 193 2HG2 VAL 22 2HG2 VAL 22 -1.110 -4.385 -2.957 194 3HG2 VAL 22 3HG2 VAL 22 -2.777 -3.875 -2.689 195 H ASP 23 H ASP 23 -0.623 -5.643 -6.718 196 HA ASP 23 HA ASP 23 -2.386 -6.837 -8.621 197 1HB ASP 23 2HB ASP 23 -0.395 -5.202 -8.956 198 2HB ASP 23 1HB ASP 23 0.594 -6.654 -8.999 199 H HIS 24 H HIS 24 0.538 -8.070 -7.016 200 HA HIS 24 HA HIS 24 0.604 -10.600 -8.331 201 1HB HIS 24 2HB HIS 24 2.466 -9.689 -6.950 202 2HB HIS 24 1HB HIS 24 1.495 -9.957 -5.503 203 HD1 HIS 24 1HD HIS 24 2.865 -11.847 -4.474 204 HD2 HIS 24 2HD HIS 24 1.763 -12.623 -8.418 205 HE1 HIS 24 1HE HIS 24 3.455 -14.269 -4.919 206 H LEU 25 H LEU 25 -1.459 -9.382 -5.804 207 HA LEU 25 HA LEU 25 -2.462 -12.151 -5.300 208 1HB LEU 25 2HB LEU 25 -3.165 -9.686 -3.704 209 2HB LEU 25 1HB LEU 25 -3.298 -11.376 -3.216 210 HG LEU 25 HG LEU 25 -0.593 -10.347 -3.966 211 1HD1 LEU 25 1HD1 LEU 25 -2.077 -8.871 -2.201 212 2HD1 LEU 25 2HD1 LEU 25 -0.319 -9.006 -2.148 213 3HD1 LEU 25 3HD1 LEU 25 -1.313 -10.039 -1.122 214 1HD2 LEU 25 1HD2 LEU 25 0.136 -12.120 -2.667 215 2HD2 LEU 25 2HD2 LEU 25 -1.434 -12.751 -3.166 216 3HD2 LEU 25 3HD2 LEU 25 -1.244 -12.020 -1.572 217 H GLY 26 H GLY 26 -3.148 -9.447 -7.139 218 1HA GLY 26 2HA GLY 26 -5.055 -9.178 -8.548 219 2HA GLY 26 1HA GLY 26 -5.909 -10.381 -7.576 220 H VAL 27 H VAL 27 -5.541 -7.063 -8.153 221 HA VAL 27 HA VAL 27 -6.040 -5.872 -5.649 222 HB VAL 27 HB VAL 27 -5.584 -4.648 -7.793 223 1HG1 VAL 27 1HG1 VAL 27 -7.609 -6.130 -8.822 224 2HG1 VAL 27 2HG1 VAL 27 -7.084 -4.598 -9.521 225 3HG1 VAL 27 3HG1 VAL 27 -8.480 -4.644 -8.444 226 1HG2 VAL 27 1HG2 VAL 27 -6.762 -3.719 -5.620 227 2HG2 VAL 27 2HG2 VAL 27 -8.172 -3.606 -6.675 228 3HG2 VAL 27 3HG2 VAL 27 -6.697 -2.725 -7.076 229 H GLU 28 H GLU 28 -8.080 -7.899 -7.537 230 HA GLU 28 HA GLU 28 -10.636 -6.958 -6.626 231 1HB GLU 28 2HB GLU 28 -10.124 -9.864 -7.185 232 2HB GLU 28 1HB GLU 28 -11.524 -8.878 -7.610 233 1HG GLU 28 2HG GLU 28 -10.615 -8.620 -9.655 234 2HG GLU 28 1HG GLU 28 -9.350 -7.652 -8.899 235 H ARG 29 H ARG 29 -8.482 -9.531 -5.399 236 HA ARG 29 HA ARG 29 -10.078 -9.479 -2.868 237 1HB ARG 29 2HB ARG 29 -8.718 -11.703 -4.356 238 2HB ARG 29 1HB ARG 29 -8.896 -11.819 -2.605 239 1HG ARG 29 2HG ARG 29 -10.958 -12.648 -3.048 240 2HG ARG 29 1HG ARG 29 -11.401 -10.977 -3.395 241 1HD ARG 29 2HD ARG 29 -10.507 -11.457 -5.782 242 2HD ARG 29 1HD ARG 29 -10.631 -13.158 -5.330 243 HE ARG 29 HE ARG 29 -12.862 -11.383 -5.915 244 1HH1 ARG 29 1HH2 ARG 29 -11.905 -14.534 -5.356 245 2HH1 ARG 29 2HH2 ARG 29 -13.407 -15.063 -4.672 246 1HH2 ARG 29 1HH1 ARG 29 -14.757 -11.874 -4.499 247 2HH2 ARG 29 2HH1 ARG 29 -15.021 -13.557 -4.186 248 H ALA 30 H ALA 30 -7.464 -8.064 -3.951 249 HA ALA 30 HA ALA 30 -5.426 -8.981 -2.081 250 1HB ALA 30 1HB ALA 30 -4.934 -7.847 -4.281 251 2HB ALA 30 2HB ALA 30 -4.106 -7.131 -2.898 252 3HB ALA 30 3HB ALA 30 -5.532 -6.346 -3.574 253 H VAL 31 H VAL 31 -6.184 -8.788 0.035 254 HA VAL 31 HA VAL 31 -7.335 -6.211 0.917 255 HB VAL 31 HB VAL 31 -7.654 -7.374 3.075 256 1HG1 VAL 31 1HG1 VAL 31 -8.739 -9.554 1.686 257 2HG1 VAL 31 2HG1 VAL 31 -8.721 -8.238 0.512 258 3HG1 VAL 31 3HG1 VAL 31 -9.554 -8.035 2.055 259 1HG2 VAL 31 1HG2 VAL 31 -6.384 -9.150 3.635 260 2HG2 VAL 31 2HG2 VAL 31 -5.534 -8.979 2.100 261 3HG2 VAL 31 3HG2 VAL 31 -6.939 -10.037 2.216 262 HA PRO 32 HA PRO 32 -3.562 -4.719 2.583 263 1HB PRO 32 2HB PRO 32 -4.503 -3.319 4.760 264 2HB PRO 32 1HB PRO 32 -4.664 -2.755 3.087 265 1HG PRO 32 2HG PRO 32 -6.741 -3.926 4.882 266 2HG PRO 32 1HG PRO 32 -6.933 -2.797 3.530 267 1HD PRO 32 2HD PRO 32 -7.466 -5.567 3.444 268 2HD PRO 32 1HD PRO 32 -7.289 -4.500 2.034 269 H LYS 33 H LYS 33 -5.679 -6.648 4.567 270 HA LYS 33 HA LYS 33 -3.954 -6.922 6.853 271 1HB LYS 33 2HB LYS 33 -6.243 -7.531 7.132 272 2HB LYS 33 1HB LYS 33 -6.212 -8.583 5.719 273 1HG LYS 33 2HG LYS 33 -4.210 -9.289 7.755 274 2HG LYS 33 1HG LYS 33 -5.877 -9.443 8.313 275 1HD LYS 33 2HD LYS 33 -5.714 -10.474 5.643 276 2HD LYS 33 1HD LYS 33 -4.438 -11.215 6.610 277 1HE LYS 33 2HE LYS 33 -6.292 -12.621 6.991 278 2HE LYS 33 1HE LYS 33 -6.291 -11.558 8.397 279 1HZ LYS 33 1HZ LYS 33 -8.496 -11.777 7.393 280 2HZ LYS 33 2HZ LYS 33 -7.901 -11.129 5.938 281 3HZ LYS 33 3HZ LYS 33 -7.938 -10.176 7.344 282 H LYS 34 H LYS 34 -4.527 -9.043 4.027 283 HA LYS 34 HA LYS 34 -2.398 -10.860 4.744 284 1HB LYS 34 2HB LYS 34 -4.044 -10.379 2.270 285 2HB LYS 34 1HB LYS 34 -2.628 -11.427 2.185 286 1HG LYS 34 2HG LYS 34 -4.909 -11.758 4.158 287 2HG LYS 34 1HG LYS 34 -4.710 -12.701 2.681 288 1HD LYS 34 2HD LYS 34 -2.329 -13.216 3.631 289 2HD LYS 34 1HD LYS 34 -3.026 -12.721 5.173 290 1HE LYS 34 2HE LYS 34 -4.525 -14.680 3.467 291 2HE LYS 34 1HE LYS 34 -3.152 -15.249 4.416 292 1HZ LYS 34 1HZ LYS 34 -5.593 -15.105 5.396 293 2HZ LYS 34 2HZ LYS 34 -5.076 -13.532 5.774 294 3HZ LYS 34 3HZ LYS 34 -4.216 -14.875 6.358 295 H ILE 35 H ILE 35 -2.623 -8.114 2.471 296 HA ILE 35 HA ILE 35 0.068 -8.355 1.529 297 HB ILE 35 HB ILE 35 -1.754 -5.946 1.739 298 1HG1 ILE 35 2HG1 ILE 35 -1.224 -8.109 -0.257 299 2HG1 ILE 35 1HG1 ILE 35 -2.737 -7.302 0.136 300 1HG2 ILE 35 1HG2 ILE 35 0.720 -5.396 1.701 301 2HG2 ILE 35 2HG2 ILE 35 -0.183 -4.774 0.321 302 3HG2 ILE 35 3HG2 ILE 35 0.814 -6.217 0.143 303 1HD1 ILE 35 1HD1 ILE 35 -0.595 -6.495 -1.781 304 2HD1 ILE 35 2HD1 ILE 35 -1.453 -5.209 -0.931 305 3HD1 ILE 35 3HD1 ILE 35 -2.347 -6.356 -1.931 306 H LEU 36 H LEU 36 -1.297 -7.162 4.493 307 HA LEU 36 HA LEU 36 0.730 -5.404 5.373 308 1HB LEU 36 2HB LEU 36 -1.267 -5.770 6.728 309 2HB LEU 36 1HB LEU 36 -0.843 -7.467 6.954 310 HG LEU 36 HG LEU 36 1.320 -6.663 8.024 311 1HD1 LEU 36 1HD1 LEU 36 0.187 -4.112 8.822 312 2HD1 LEU 36 2HD1 LEU 36 0.390 -4.188 7.073 313 3HD1 LEU 36 3HD1 LEU 36 1.773 -4.456 8.133 314 1HD2 LEU 36 1HD2 LEU 36 -0.078 -7.409 9.680 315 2HD2 LEU 36 2HD2 LEU 36 -1.436 -6.438 9.111 316 3HD2 LEU 36 3HD2 LEU 36 -0.163 -5.693 10.077 317 H ASP 37 H ASP 37 0.601 -8.948 5.318 318 HA ASP 37 HA ASP 37 3.190 -9.276 6.610 319 1HB ASP 37 2HB ASP 37 1.229 -11.034 5.205 320 2HB ASP 37 1HB ASP 37 2.903 -11.589 5.257 321 H LEU 38 H LEU 38 2.001 -9.022 3.298 322 HA LEU 38 HA LEU 38 4.358 -9.709 1.889 323 1HB LEU 38 2HB LEU 38 2.004 -7.927 1.328 324 2HB LEU 38 1HB LEU 38 3.376 -7.917 0.219 325 HG LEU 38 HG LEU 38 2.329 -10.574 1.075 326 1HD1 LEU 38 1HD1 LEU 38 0.863 -10.084 -1.192 327 2HD1 LEU 38 2HD1 LEU 38 0.757 -8.532 -0.363 328 3HD1 LEU 38 3HD1 LEU 38 0.216 -10.003 0.448 329 1HD2 LEU 38 1HD2 LEU 38 3.733 -11.151 -0.590 330 2HD2 LEU 38 2HD2 LEU 38 4.061 -9.449 -0.915 331 3HD2 LEU 38 3HD2 LEU 38 2.726 -10.260 -1.731 332 H MET 39 H MET 39 3.479 -6.795 3.640 333 HA MET 39 HA MET 39 5.731 -5.258 2.553 334 1HB MET 39 2HB MET 39 3.891 -4.660 4.893 335 2HB MET 39 1HB MET 39 5.000 -3.518 4.130 336 1HG MET 39 2HG MET 39 3.754 -4.038 1.938 337 2HG MET 39 1HG MET 39 2.520 -4.781 2.955 338 1HE MET 39 1HE MET 39 4.555 -1.368 2.332 339 2HE MET 39 2HE MET 39 3.080 -0.524 1.868 340 3HE MET 39 3HE MET 39 3.503 -2.041 1.079 341 H ASN 40 H ASN 40 4.870 -6.665 5.730 342 HA ASN 40 HA ASN 40 6.239 -7.226 7.552 343 1HB ASN 40 2HB ASN 40 7.119 -8.858 5.935 344 2HB ASN 40 1HB ASN 40 8.232 -7.646 5.302 345 1HD2 ASN 40 1HD2 ASN 40 10.075 -9.025 5.984 346 2HD2 ASN 40 2HD2 ASN 40 10.526 -9.100 7.618 347 H VAL 41 H VAL 41 6.203 -4.412 6.464 348 HA VAL 41 HA VAL 41 8.904 -3.399 7.036 349 HB VAL 41 HB VAL 41 6.299 -1.918 6.560 350 1HG1 VAL 41 1HG1 VAL 41 8.406 -0.300 5.798 351 2HG1 VAL 41 2HG1 VAL 41 9.028 -1.081 7.252 352 3HG1 VAL 41 3HG1 VAL 41 7.521 -0.167 7.318 353 1HG2 VAL 41 1HG2 VAL 41 7.398 -1.516 4.292 354 2HG2 VAL 41 2HG2 VAL 41 6.828 -3.159 4.581 355 3HG2 VAL 41 3HG2 VAL 41 8.545 -2.784 4.724 356 H ASP 42 H ASP 42 9.480 -2.241 8.914 357 HA ASP 42 HA ASP 42 7.867 -2.818 11.283 358 1HB ASP 42 2HB ASP 42 10.583 -2.228 10.752 359 2HB ASP 42 1HB ASP 42 9.972 -1.014 11.871 360 H LYS 43 H LYS 43 6.857 -1.243 12.612 361 HA LYS 43 HA LYS 43 5.934 0.863 13.156 362 1HB LYS 43 2HB LYS 43 8.232 1.619 11.973 363 2HB LYS 43 1HB LYS 43 7.090 2.207 10.764 364 1HG LYS 43 2HG LYS 43 6.171 3.765 12.184 365 2HG LYS 43 1HG LYS 43 6.459 2.779 13.619 366 1HD LYS 43 2HD LYS 43 7.911 4.824 13.508 367 2HD LYS 43 1HD LYS 43 8.826 3.318 13.582 368 1HE LYS 43 2HE LYS 43 9.185 3.363 11.174 369 2HE LYS 43 1HE LYS 43 8.160 4.789 11.016 370 1HZ LYS 43 1HZ LYS 43 10.648 5.166 11.098 371 2HZ LYS 43 2HZ LYS 43 10.558 4.768 12.747 372 3HZ LYS 43 3HZ LYS 43 9.702 6.107 12.147 373 H LEU 44 H LEU 44 5.494 -0.937 10.393 374 HA LEU 44 HA LEU 44 3.340 0.820 9.335 375 1HB LEU 44 2HB LEU 44 4.907 -1.490 8.253 376 2HB LEU 44 1HB LEU 44 3.277 -1.230 7.633 377 HG LEU 44 HG LEU 44 5.551 0.776 7.634 378 1HD1 LEU 44 1HD1 LEU 44 4.438 0.434 5.075 379 2HD1 LEU 44 2HD1 LEU 44 4.570 -1.193 5.742 380 3HD1 LEU 44 3HD1 LEU 44 5.999 -0.165 5.635 381 1HD2 LEU 44 1HD2 LEU 44 3.731 2.182 7.912 382 2HD2 LEU 44 2HD2 LEU 44 2.601 1.032 7.197 383 3HD2 LEU 44 3HD2 LEU 44 3.675 1.973 6.162 384 H THR 45 H THR 45 1.449 0.527 10.426 385 HA THR 45 HA THR 45 0.790 -2.123 11.547 386 HB THR 45 HB THR 45 -1.071 -0.994 12.620 387 HG1 THR 45 1HG THR 45 -1.096 1.406 12.089 388 1HG2 THR 45 1HG2 THR 45 0.559 -0.377 14.057 389 2HG2 THR 45 2HG2 THR 45 0.463 1.211 13.296 390 3HG2 THR 45 3HG2 THR 45 1.664 0.041 12.747 391 H ARG 46 H ARG 46 -1.563 -2.870 11.167 392 HA ARG 46 HA ARG 46 -1.954 -3.129 8.292 393 1HB ARG 46 2HB ARG 46 -2.445 -4.971 9.907 394 2HB ARG 46 1HB ARG 46 -3.772 -4.005 10.556 395 1HG ARG 46 2HG ARG 46 -3.923 -4.141 7.663 396 2HG ARG 46 1HG ARG 46 -3.889 -5.759 8.364 397 1HD ARG 46 2HD ARG 46 -5.613 -4.513 10.066 398 2HD ARG 46 1HD ARG 46 -5.968 -3.664 8.561 399 HE ARG 46 HE ARG 46 -6.673 -5.767 7.589 400 1HH1 ARG 46 1HH2 ARG 46 -4.731 -7.491 9.190 401 2HH1 ARG 46 2HH2 ARG 46 -5.823 -8.360 10.216 402 1HH2 ARG 46 1HH1 ARG 46 -8.488 -6.217 9.635 403 2HH2 ARG 46 2HH1 ARG 46 -7.951 -7.638 10.468 404 H GLU 47 H GLU 47 -3.201 -1.074 10.804 405 HA GLU 47 HA GLU 47 -5.619 -0.293 9.395 406 1HB GLU 47 2HB GLU 47 -4.314 0.332 11.914 407 2HB GLU 47 1HB GLU 47 -4.900 1.797 11.126 408 1HG GLU 47 2HG GLU 47 -6.690 -0.607 11.235 409 2HG GLU 47 1HG GLU 47 -6.515 0.396 12.676 410 H ASN 48 H ASN 48 -2.284 0.844 9.490 411 HA ASN 48 HA ASN 48 -2.760 3.351 8.151 412 1HB ASN 48 2HB ASN 48 -0.377 1.640 8.725 413 2HB ASN 48 1HB ASN 48 -0.223 2.872 7.472 414 1HD2 ASN 48 1HD2 ASN 48 1.100 2.921 10.117 415 2HD2 ASN 48 2HD2 ASN 48 0.538 4.314 10.907 416 H VAL 49 H VAL 49 -2.117 0.061 7.020 417 HA VAL 49 HA VAL 49 -1.949 0.922 4.219 418 HB VAL 49 HB VAL 49 -2.103 -1.837 5.475 419 1HG1 VAL 49 1HG1 VAL 49 -1.010 -1.467 2.750 420 2HG1 VAL 49 2HG1 VAL 49 -2.750 -1.228 2.895 421 3HG1 VAL 49 3HG1 VAL 49 -2.027 -2.758 3.388 422 1HG2 VAL 49 1HG2 VAL 49 -0.007 0.069 5.322 423 2HG2 VAL 49 2HG2 VAL 49 0.364 -1.184 4.137 424 3HG2 VAL 49 3HG2 VAL 49 0.111 -1.617 5.826 425 H ALA 50 H ALA 50 -4.365 -0.219 6.455 426 HA ALA 50 HA ALA 50 -6.296 -0.941 4.394 427 1HB ALA 50 1HB ALA 50 -7.721 -0.449 6.737 428 2HB ALA 50 2HB ALA 50 -6.145 -0.995 7.311 429 3HB ALA 50 3HB ALA 50 -7.087 -2.012 6.222 430 H SER 51 H SER 51 -5.347 1.956 6.064 431 HA SER 51 HA SER 51 -7.797 3.430 5.507 432 1HB SER 51 2HB SER 51 -5.020 4.279 6.359 433 2HB SER 51 1HB SER 51 -6.327 5.427 6.089 434 HG SER 51 HG SER 51 -7.172 4.842 7.921 435 H HIS 52 H HIS 52 -4.550 3.269 4.038 436 HA HIS 52 HA HIS 52 -5.037 5.215 2.000 437 1HB HIS 52 2HB HIS 52 -2.777 4.330 2.587 438 2HB HIS 52 1HB HIS 52 -3.224 2.785 1.864 439 HD1 HIS 52 1HD HIS 52 -3.255 6.455 0.787 440 HD2 HIS 52 2HD HIS 52 -2.492 2.671 -0.788 441 HE1 HIS 52 1HE HIS 52 -2.542 6.812 -1.616 442 H LEU 53 H LEU 53 -5.841 1.811 2.281 443 HA LEU 53 HA LEU 53 -6.564 1.482 -0.516 444 1HB LEU 53 2HB LEU 53 -5.943 -0.462 0.836 445 2HB LEU 53 1HB LEU 53 -7.276 -0.143 1.945 446 HG LEU 53 HG LEU 53 -8.757 -0.282 -0.215 447 1HD1 LEU 53 1HD1 LEU 53 -6.202 -1.696 -1.024 448 2HD1 LEU 53 2HD1 LEU 53 -7.013 -0.378 -1.872 449 3HD1 LEU 53 3HD1 LEU 53 -7.754 -1.977 -1.815 450 1HD2 LEU 53 1HD2 LEU 53 -9.238 -1.958 1.295 451 2HD2 LEU 53 2HD2 LEU 53 -7.550 -2.439 1.459 452 3HD2 LEU 53 3HD2 LEU 53 -8.477 -2.942 0.046 453 H GLN 54 H GLN 54 -8.132 2.701 2.336 454 HA GLN 54 HA GLN 54 -10.855 2.352 1.461 455 1HB GLN 54 2HB GLN 54 -9.476 4.050 3.513 456 2HB GLN 54 1HB GLN 54 -11.157 4.391 3.099 457 1HG GLN 54 2HG GLN 54 -10.052 1.738 4.064 458 2HG GLN 54 1HG GLN 54 -11.087 2.834 4.976 459 1HE2 GLN 54 1HE2 GLN 54 -13.360 2.916 4.426 460 2HE2 GLN 54 2HE2 GLN 54 -14.071 1.797 3.367 461 H LYS 55 H LYS 55 -8.406 4.830 0.917 462 HA LYS 55 HA LYS 55 -10.266 6.710 -0.303 463 1HB LYS 55 2HB LYS 55 -7.246 6.518 -0.249 464 2HB LYS 55 1HB LYS 55 -8.103 7.801 -1.104 465 1HG LYS 55 2HG LYS 55 -9.366 8.082 1.192 466 2HG LYS 55 1HG LYS 55 -7.944 7.270 1.846 467 1HD LYS 55 2HD LYS 55 -7.288 9.394 -0.072 468 2HD LYS 55 1HD LYS 55 -8.136 9.981 1.359 469 1HE LYS 55 2HE LYS 55 -5.757 8.122 1.530 470 2HE LYS 55 1HE LYS 55 -5.593 9.878 1.547 471 1HZ LYS 55 1HZ LYS 55 -7.079 8.192 3.481 472 2HZ LYS 55 2HZ LYS 55 -7.190 9.887 3.435 473 3HZ LYS 55 3HZ LYS 55 -5.704 9.139 3.784 474 H PHE 56 H PHE 56 -8.260 4.051 -1.420 475 HA PHE 56 HA PHE 56 -8.465 4.753 -4.236 476 1HB PHE 56 2HB PHE 56 -6.692 3.241 -3.170 477 2HB PHE 56 1HB PHE 56 -7.936 1.992 -3.110 478 HD1 PHE 56 1HD PHE 56 -7.415 0.421 -4.773 479 HD2 PHE 56 2HD PHE 56 -7.219 4.614 -5.685 480 HE1 PHE 56 1HE PHE 56 -6.995 -0.117 -7.158 481 HE2 PHE 56 2HE PHE 56 -6.800 4.076 -8.069 482 HZ PHE 56 HZ PHE 56 -6.688 1.710 -8.806 483 H ARG 57 H ARG 57 -10.221 2.548 -2.053 484 HA ARG 57 HA ARG 57 -11.933 1.441 -4.079 485 1HB ARG 57 2HB ARG 57 -11.949 1.613 -1.101 486 2HB ARG 57 1HB ARG 57 -13.501 1.314 -1.883 487 1HG ARG 57 2HG ARG 57 -12.237 -0.502 -3.233 488 2HG ARG 57 1HG ARG 57 -10.994 -0.356 -1.990 489 1HD ARG 57 2HD ARG 57 -13.158 -0.543 -0.401 490 2HD ARG 57 1HD ARG 57 -13.753 -1.453 -1.789 491 HE ARG 57 HE ARG 57 -11.080 -2.269 -0.961 492 1HH1 ARG 57 1HH1 ARG 57 -14.257 -2.328 0.269 493 2HH1 ARG 57 2HH1 ARG 57 -14.254 -4.025 0.617 494 1HH2 ARG 57 1HH2 ARG 57 -11.155 -4.586 -0.834 495 2HH2 ARG 57 2HH2 ARG 57 -12.497 -5.303 -0.008 496 H VAL 58 H VAL 58 -12.294 4.216 -1.868 497 HA VAL 58 HA VAL 58 -14.881 5.011 -2.842 498 HB VAL 58 HB VAL 58 -12.674 6.659 -1.559 499 1HG1 VAL 58 1HG1 VAL 58 -14.271 8.374 -1.228 500 2HG1 VAL 58 2HG1 VAL 58 -15.621 7.312 -1.623 501 3HG1 VAL 58 3HG1 VAL 58 -14.532 7.865 -2.896 502 1HG2 VAL 58 1HG2 VAL 58 -14.145 4.584 -0.477 503 2HG2 VAL 58 2HG2 VAL 58 -15.098 5.998 -0.029 504 3HG2 VAL 58 3HG2 VAL 58 -13.404 5.889 0.449 505 H ALA 59 H ALA 59 -11.585 5.563 -3.890 506 HA ALA 59 HA ALA 59 -12.348 7.565 -5.893 507 1HB ALA 59 1HB ALA 59 -9.948 7.284 -6.623 508 2HB ALA 59 2HB ALA 59 -9.763 6.083 -5.345 509 3HB ALA 59 3HB ALA 59 -10.134 7.757 -4.935 510 H LEU 60 H LEU 60 -12.400 4.192 -5.614 511 HA LEU 60 HA LEU 60 -12.078 3.694 -8.509 512 1HB LEU 60 2HB LEU 60 -12.234 2.031 -6.032 513 2HB LEU 60 1HB LEU 60 -12.762 1.291 -7.542 514 HG LEU 60 HG LEU 60 -10.085 2.650 -7.120 515 1HD1 LEU 60 1HD1 LEU 60 -9.756 -0.075 -7.726 516 2HD1 LEU 60 2HD1 LEU 60 -11.032 -0.023 -6.510 517 3HD1 LEU 60 3HD1 LEU 60 -9.461 0.703 -6.171 518 1HD2 LEU 60 1HD2 LEU 60 -9.758 2.437 -9.352 519 2HD2 LEU 60 2HD2 LEU 60 -11.498 2.179 -9.471 520 3HD2 LEU 60 3HD2 LEU 60 -10.407 0.798 -9.364 521 H LYS 61 H LYS 61 -14.489 4.901 -6.678 522 HA LYS 61 HA LYS 61 -16.704 3.238 -7.625 523 1HB LYS 61 2HB LYS 61 -18.127 4.821 -6.476 524 2HB LYS 61 1HB LYS 61 -16.730 4.510 -5.445 525 1HG LYS 61 2HG LYS 61 -15.647 6.563 -6.477 526 2HG LYS 61 1HG LYS 61 -17.209 6.918 -7.216 527 1HD LYS 61 2HD LYS 61 -18.272 7.111 -5.063 528 2HD LYS 61 1HD LYS 61 -16.837 6.499 -4.239 529 1HE LYS 61 2HE LYS 61 -15.761 8.505 -4.348 530 2HE LYS 61 1HE LYS 61 -16.375 8.859 -5.962 531 1HZ LYS 61 1HZ LYS 61 -18.615 9.111 -4.720 532 2HZ LYS 61 2HZ LYS 61 -17.488 10.381 -4.679 533 3HZ LYS 61 3HZ LYS 61 -17.640 9.334 -3.350 534 H LYS 62 H LYS 62 -14.801 5.718 -8.954 535 HA LYS 62 HA LYS 62 -16.817 6.078 -11.120 536 1HB LYS 62 2HB LYS 62 -15.838 8.114 -9.284 537 2HB LYS 62 1HB LYS 62 -15.474 8.527 -10.960 538 1HG LYS 62 2HG LYS 62 -17.874 8.041 -11.531 539 2HG LYS 62 1HG LYS 62 -18.191 7.835 -9.808 540 1HD LYS 62 2HD LYS 62 -17.542 10.120 -9.348 541 2HD LYS 62 1HD LYS 62 -16.996 10.347 -11.010 542 1HE LYS 62 2HE LYS 62 -19.482 9.625 -11.580 543 2HE LYS 62 1HE LYS 62 -19.789 10.192 -9.938 544 1HZ LYS 62 1HZ LYS 62 -19.684 12.272 -10.645 545 2HZ LYS 62 2HZ LYS 62 -19.483 11.722 -12.240 546 3HZ LYS 62 3HZ LYS 62 -18.125 12.031 -11.267 547 H VAL 63 H VAL 63 -13.425 6.700 -10.146 548 HA VAL 63 HA VAL 63 -12.478 6.897 -12.863 549 HB VAL 63 HB VAL 63 -11.327 7.720 -10.702 550 1HG1 VAL 63 1HG1 VAL 63 -9.890 5.112 -10.674 551 2HG1 VAL 63 2HG1 VAL 63 -11.477 5.153 -9.904 552 3HG1 VAL 63 3HG1 VAL 63 -10.201 6.239 -9.355 553 1HG2 VAL 63 1HG2 VAL 63 -9.297 6.223 -12.249 554 2HG2 VAL 63 2HG2 VAL 63 -9.431 7.955 -11.949 555 3HG2 VAL 63 3HG2 VAL 63 -10.398 7.203 -13.217 556 H SER 64 H SER 64 -10.770 5.273 -13.690 557 HA SER 64 HA SER 64 -12.012 2.602 -13.634 558 1HB SER 64 2HB SER 64 -10.652 2.111 -15.528 559 2HB SER 64 1HB SER 64 -11.153 3.787 -15.738 560 HG SER 64 HG SER 64 -9.135 4.341 -15.615 Start of MODEL 6 1 1H THR 1 1HT THR 1 18.476 16.413 -2.389 2 2H THR 1 2HT THR 1 19.670 17.426 -3.048 3 3H THR 1 3HT THR 1 18.639 18.004 -1.827 4 HA THR 1 HA THR 1 21.121 16.979 -1.443 5 HB THR 1 HB THR 1 20.368 16.904 0.978 6 HG1 THR 1 1HG THR 1 18.314 16.551 1.169 7 1HG2 THR 1 1HG2 THR 1 19.243 19.437 0.363 8 2HG2 THR 1 2HG2 THR 1 20.467 19.106 -0.864 9 3HG2 THR 1 3HG2 THR 1 20.903 19.081 0.846 10 H ALA 2 H ALA 2 21.402 15.156 0.422 11 HA ALA 2 HA ALA 2 20.026 12.712 -0.624 12 1HB ALA 2 1HB ALA 2 22.699 13.228 -0.818 13 2HB ALA 2 2HB ALA 2 22.018 11.603 -0.730 14 3HB ALA 2 3HB ALA 2 22.638 12.380 0.727 15 H GLN 3 H GLN 3 18.461 13.417 1.171 16 HA GLN 3 HA GLN 3 19.411 12.973 3.917 17 1HB GLN 3 2HB GLN 3 16.511 13.170 3.155 18 2HB GLN 3 1HB GLN 3 17.320 13.755 4.610 19 1HG GLN 3 2HG GLN 3 18.598 15.353 3.041 20 2HG GLN 3 1HG GLN 3 17.378 14.942 1.834 21 1HE2 GLN 3 1HE2 GLN 3 15.082 14.741 3.514 22 2HE2 GLN 3 2HE2 GLN 3 14.748 16.272 4.164 23 H LYS 4 H LYS 4 18.388 11.311 5.304 24 HA LYS 4 HA LYS 4 18.561 8.701 4.270 25 1HB LYS 4 2HB LYS 4 17.199 9.873 6.682 26 2HB LYS 4 1HB LYS 4 16.991 8.164 6.303 27 1HG LYS 4 2HG LYS 4 19.488 7.939 6.216 28 2HG LYS 4 1HG LYS 4 19.613 9.608 6.775 29 1HD LYS 4 2HD LYS 4 18.352 9.030 8.811 30 2HD LYS 4 1HD LYS 4 18.207 7.362 8.253 31 1HE LYS 4 2HE LYS 4 20.952 7.996 8.078 32 2HE LYS 4 1HE LYS 4 20.410 8.626 9.634 33 1HZ LYS 4 1HZ LYS 4 19.617 5.924 8.770 34 2HZ LYS 4 2HZ LYS 4 19.745 6.552 10.343 35 3HZ LYS 4 3HZ LYS 4 21.146 6.179 9.457 36 H LYS 5 H LYS 5 16.354 7.225 4.698 37 HA LYS 5 HA LYS 5 14.658 7.929 2.447 38 1HB LYS 5 2HB LYS 5 15.183 5.582 2.936 39 2HB LYS 5 1HB LYS 5 14.398 5.723 4.511 40 1HG LYS 5 2HG LYS 5 12.252 5.960 3.552 41 2HG LYS 5 1HG LYS 5 12.911 6.355 1.963 42 1HD LYS 5 2HD LYS 5 12.213 4.108 1.742 43 2HD LYS 5 1HD LYS 5 13.950 3.987 2.023 44 1HE LYS 5 2HE LYS 5 13.303 3.827 4.539 45 2HE LYS 5 1HE LYS 5 11.691 3.434 3.938 46 1HZ LYS 5 1HZ LYS 5 13.783 1.695 4.238 47 2HZ LYS 5 2HZ LYS 5 13.723 1.980 2.564 48 3HZ LYS 5 3HZ LYS 5 12.349 1.404 3.380 49 HA PRO 6 HA PRO 6 11.913 10.290 5.078 50 1HB PRO 6 2HB PRO 6 10.320 11.181 3.021 51 2HB PRO 6 1HB PRO 6 11.888 11.902 3.429 52 1HG PRO 6 2HG PRO 6 11.177 10.120 1.144 53 2HG PRO 6 1HG PRO 6 12.461 11.335 1.262 54 1HD PRO 6 2HD PRO 6 12.804 8.537 1.498 55 2HD PRO 6 1HD PRO 6 13.996 9.776 1.948 56 H ARG 7 H ARG 7 9.675 10.057 5.749 57 HA ARG 7 HA ARG 7 8.581 7.520 5.865 58 1HB ARG 7 2HB ARG 7 7.274 10.237 5.877 59 2HB ARG 7 1HB ARG 7 6.302 8.771 6.017 60 1HG ARG 7 2HG ARG 7 6.735 8.947 8.240 61 2HG ARG 7 1HG ARG 7 8.310 8.273 7.819 62 1HD ARG 7 2HD ARG 7 8.512 10.351 9.175 63 2HD ARG 7 1HD ARG 7 9.243 10.523 7.578 64 HE ARG 7 HE ARG 7 6.562 11.409 7.372 65 1HH1 ARG 7 1HH2 ARG 7 9.719 12.451 7.850 66 2HH1 ARG 7 2HH2 ARG 7 9.297 14.029 8.425 67 1HH2 ARG 7 1HH1 ARG 7 5.903 13.347 8.610 68 2HH2 ARG 7 2HH1 ARG 7 7.138 14.536 8.855 69 H VAL 8 H VAL 8 8.686 6.361 3.907 70 HA VAL 8 HA VAL 8 7.474 7.467 1.479 71 HB VAL 8 HB VAL 8 8.438 4.645 2.021 72 1HG1 VAL 8 1HG1 VAL 8 6.912 4.973 0.065 73 2HG1 VAL 8 2HG1 VAL 8 8.535 4.467 -0.404 74 3HG1 VAL 8 3HG1 VAL 8 8.052 6.154 -0.580 75 1HG2 VAL 8 1HG2 VAL 8 10.391 5.880 2.296 76 2HG2 VAL 8 2HG2 VAL 8 9.849 7.167 1.218 77 3HG2 VAL 8 3HG2 VAL 8 10.398 5.629 0.549 78 H LEU 9 H LEU 9 5.300 7.438 1.203 79 HA LEU 9 HA LEU 9 3.687 5.444 2.691 80 1HB LEU 9 2HB LEU 9 3.034 7.882 2.639 81 2HB LEU 9 1HB LEU 9 2.741 7.709 0.908 82 HG LEU 9 HG LEU 9 1.025 6.048 1.297 83 1HD1 LEU 9 1HD1 LEU 9 0.416 5.455 3.676 84 2HD1 LEU 9 2HD1 LEU 9 1.898 6.260 4.191 85 3HD1 LEU 9 3HD1 LEU 9 1.983 4.837 3.154 86 1HD2 LEU 9 1HD2 LEU 9 0.701 8.647 1.836 87 2HD2 LEU 9 2HD2 LEU 9 0.378 8.019 3.452 88 3HD2 LEU 9 3HD2 LEU 9 -0.605 7.488 2.088 89 H TRP 10 H TRP 10 3.770 6.737 -0.642 90 HA TRP 10 HA TRP 10 3.654 3.991 -1.724 91 1HB TRP 10 2HB TRP 10 1.520 6.081 -2.274 92 2HB TRP 10 1HB TRP 10 1.702 4.581 -3.182 93 HD1 TRP 10 HD TRP 10 -0.541 5.757 -0.817 94 HE1 TRP 10 1HE TRP 10 -1.348 3.966 0.852 95 HE3 TRP 10 3HE TRP 10 3.081 2.221 -1.496 96 HZ2 TRP 10 2HZ TRP 10 -0.562 1.376 1.776 97 HZ3 TRP 10 3HZ TRP 10 3.028 0.106 -0.208 98 HH2 TRP 10 HH TRP 10 1.213 -0.323 1.424 99 H THR 11 H THR 11 5.854 4.892 -2.309 100 HA THR 11 HA THR 11 5.661 6.773 -4.632 101 HB THR 11 HB THR 11 7.884 7.511 -4.134 102 HG1 THR 11 1HG THR 11 9.159 6.463 -2.653 103 1HG2 THR 11 1HG2 THR 11 5.940 8.217 -2.596 104 2HG2 THR 11 2HG2 THR 11 7.578 8.500 -2.007 105 3HG2 THR 11 3HG2 THR 11 6.652 7.124 -1.409 106 H HIS 12 H HIS 12 7.668 6.412 -6.163 107 HA HIS 12 HA HIS 12 7.370 3.939 -7.478 108 1HB HIS 12 2HB HIS 12 9.349 6.154 -7.545 109 2HB HIS 12 1HB HIS 12 9.896 4.611 -8.203 110 HD1 HIS 12 1HD HIS 12 9.154 7.271 -9.874 111 HD2 HIS 12 2HD HIS 12 6.794 3.859 -9.461 112 HE1 HIS 12 1HE HIS 12 7.583 7.242 -11.860 113 H GLU 13 H GLU 13 9.184 4.735 -4.643 114 HA GLU 13 HA GLU 13 10.941 2.392 -4.821 115 1HB GLU 13 2HB GLU 13 11.483 4.631 -3.661 116 2HB GLU 13 1HB GLU 13 10.447 4.060 -2.352 117 1HG GLU 13 2HG GLU 13 12.018 2.619 -1.607 118 2HG GLU 13 1HG GLU 13 12.340 2.018 -3.234 119 H LEU 14 H LEU 14 8.397 3.417 -2.511 120 HA LEU 14 HA LEU 14 8.150 0.676 -1.525 121 1HB LEU 14 2HB LEU 14 6.988 3.330 -0.836 122 2HB LEU 14 1HB LEU 14 6.060 1.906 -0.383 123 HG LEU 14 HG LEU 14 8.912 2.560 0.407 124 1HD1 LEU 14 1HD1 LEU 14 8.079 2.887 2.551 125 2HD1 LEU 14 2HD1 LEU 14 6.679 1.851 2.276 126 3HD1 LEU 14 3HD1 LEU 14 6.725 3.472 1.585 127 1HD2 LEU 14 1HD2 LEU 14 9.195 0.298 0.358 128 2HD2 LEU 14 2HD2 LEU 14 7.462 -0.009 0.252 129 3HD2 LEU 14 3HD2 LEU 14 8.207 0.312 1.818 130 H HIS 15 H HIS 15 5.895 2.954 -3.102 131 HA HIS 15 HA HIS 15 3.702 1.311 -3.489 132 1HB HIS 15 2HB HIS 15 3.858 3.701 -4.205 133 2HB HIS 15 1HB HIS 15 4.840 3.193 -5.579 134 HD1 HIS 15 1HD HIS 15 1.487 2.115 -4.079 135 HD2 HIS 15 2HD HIS 15 3.252 2.806 -7.792 136 HE1 HIS 15 1HE HIS 15 -0.307 1.692 -5.814 137 H ASN 16 H ASN 16 6.821 1.084 -5.013 138 HA ASN 16 HA ASN 16 6.016 -0.560 -7.247 139 1HB ASN 16 2HB ASN 16 8.597 0.104 -5.900 140 2HB ASN 16 1HB ASN 16 8.557 -1.328 -6.929 141 1HD2 ASN 16 1HD2 ASN 16 10.116 0.197 -8.231 142 2HD2 ASN 16 2HD2 ASN 16 9.383 1.220 -9.371 143 H LYS 17 H LYS 17 7.372 -1.383 -4.042 144 HA LYS 17 HA LYS 17 7.191 -4.229 -4.453 145 1HB LYS 17 2HB LYS 17 7.196 -2.684 -1.840 146 2HB LYS 17 1HB LYS 17 7.580 -4.394 -2.041 147 1HG LYS 17 2HG LYS 17 9.566 -3.910 -3.265 148 2HG LYS 17 1HG LYS 17 9.102 -2.223 -3.492 149 1HD LYS 17 2HD LYS 17 9.273 -1.862 -1.044 150 2HD LYS 17 1HD LYS 17 9.794 -3.536 -0.847 151 1HE LYS 17 2HE LYS 17 11.361 -2.204 -2.894 152 2HE LYS 17 1HE LYS 17 11.439 -1.321 -1.368 153 1HZ LYS 17 1HZ LYS 17 12.614 -3.815 -2.064 154 2HZ LYS 17 2HZ LYS 17 11.638 -3.971 -0.681 155 3HZ LYS 17 3HZ LYS 17 12.901 -2.834 -0.711 156 H PHE 18 H PHE 18 4.998 -1.797 -3.140 157 HA PHE 18 HA PHE 18 3.054 -3.666 -2.115 158 1HB PHE 18 2HB PHE 18 3.252 -1.225 -1.481 159 2HB PHE 18 1HB PHE 18 2.558 -0.828 -3.052 160 HD1 PHE 18 1HD PHE 18 0.239 -0.662 -3.257 161 HD2 PHE 18 2HD PHE 18 1.906 -3.006 -0.067 162 HE1 PHE 18 1HE PHE 18 -2.037 -1.047 -2.351 163 HE2 PHE 18 2HE PHE 18 -0.371 -3.392 0.840 164 HZ PHE 18 HZ PHE 18 -2.342 -2.412 -0.303 165 H LEU 19 H LEU 19 3.723 -2.341 -5.280 166 HA LEU 19 HA LEU 19 1.122 -3.041 -6.400 167 1HB LEU 19 2HB LEU 19 3.765 -2.187 -7.588 168 2HB LEU 19 1HB LEU 19 2.412 -2.684 -8.605 169 HG LEU 19 HG LEU 19 2.154 -0.558 -6.469 170 1HD1 LEU 19 1HD1 LEU 19 3.184 -0.415 -9.264 171 2HD1 LEU 19 2HD1 LEU 19 3.582 0.586 -7.867 172 3HD1 LEU 19 3HD1 LEU 19 2.079 0.860 -8.749 173 1HD2 LEU 19 1HD2 LEU 19 0.210 0.046 -8.065 174 2HD2 LEU 19 2HD2 LEU 19 0.020 -1.399 -7.073 175 3HD2 LEU 19 3HD2 LEU 19 0.468 -1.550 -8.772 176 H ALA 20 H ALA 20 4.391 -4.471 -6.480 177 HA ALA 20 HA ALA 20 3.555 -6.738 -8.083 178 1HB ALA 20 1HB ALA 20 5.788 -7.646 -6.852 179 2HB ALA 20 2HB ALA 20 6.006 -5.913 -6.612 180 3HB ALA 20 3HB ALA 20 5.840 -6.564 -8.243 181 H ALA 21 H ALA 21 3.484 -5.938 -4.702 182 HA ALA 21 HA ALA 21 3.204 -8.670 -3.748 183 1HB ALA 21 1HB ALA 21 3.972 -7.031 -2.169 184 2HB ALA 21 2HB ALA 21 2.348 -7.487 -1.657 185 3HB ALA 21 3HB ALA 21 2.608 -5.969 -2.514 186 H VAL 22 H VAL 22 0.964 -6.047 -4.585 187 HA VAL 22 HA VAL 22 -1.426 -7.483 -3.817 188 HB VAL 22 HB VAL 22 -1.183 -5.322 -5.927 189 1HG1 VAL 22 1HG1 VAL 22 -3.353 -6.796 -4.993 190 2HG1 VAL 22 2HG1 VAL 22 -3.433 -5.267 -5.867 191 3HG1 VAL 22 3HG1 VAL 22 -3.455 -5.277 -4.104 192 1HG2 VAL 22 1HG2 VAL 22 -1.890 -4.543 -3.176 193 2HG2 VAL 22 2HG2 VAL 22 -0.821 -3.748 -4.333 194 3HG2 VAL 22 3HG2 VAL 22 -0.226 -5.097 -3.365 195 H ASP 23 H ASP 23 0.230 -6.940 -6.905 196 HA ASP 23 HA ASP 23 -1.533 -8.420 -8.567 197 1HB ASP 23 2HB ASP 23 0.527 -6.917 -9.131 198 2HB ASP 23 1HB ASP 23 1.444 -8.407 -8.968 199 H HIS 24 H HIS 24 1.270 -9.414 -6.639 200 HA HIS 24 HA HIS 24 1.499 -12.093 -7.506 201 1HB HIS 24 2HB HIS 24 3.156 -11.202 -6.006 202 2HB HIS 24 1HB HIS 24 1.939 -10.855 -4.777 203 HD1 HIS 24 1HD HIS 24 0.586 -13.137 -3.939 204 HD2 HIS 24 2HD HIS 24 4.359 -13.658 -5.636 205 HE1 HIS 24 1HE HIS 24 1.377 -15.440 -3.235 206 H LEU 25 H LEU 25 -0.895 -10.578 -5.456 207 HA LEU 25 HA LEU 25 -2.084 -13.255 -4.874 208 1HB LEU 25 2HB LEU 25 -2.885 -10.607 -3.650 209 2HB LEU 25 1HB LEU 25 -3.232 -12.228 -3.048 210 HG LEU 25 HG LEU 25 -0.367 -11.477 -3.424 211 1HD1 LEU 25 1HD1 LEU 25 -2.250 -10.085 -1.647 212 2HD1 LEU 25 2HD1 LEU 25 -0.620 -9.626 -2.142 213 3HD1 LEU 25 3HD1 LEU 25 -0.853 -10.759 -0.809 214 1HD2 LEU 25 1HD2 LEU 25 -0.143 -12.909 -1.427 215 2HD2 LEU 25 2HD2 LEU 25 -1.056 -13.737 -2.688 216 3HD2 LEU 25 3HD2 LEU 25 -1.899 -13.028 -1.311 217 H GLY 26 H GLY 26 -2.422 -10.601 -6.946 218 1HA GLY 26 2HA GLY 26 -4.066 -10.544 -8.713 219 2HA GLY 26 1HA GLY 26 -5.129 -11.544 -7.718 220 H VAL 27 H VAL 27 -4.531 -8.397 -8.736 221 HA VAL 27 HA VAL 27 -5.202 -6.787 -6.526 222 HB VAL 27 HB VAL 27 -4.486 -5.746 -8.572 223 1HG1 VAL 27 1HG1 VAL 27 -5.168 -6.494 -10.585 224 2HG1 VAL 27 2HG1 VAL 27 -6.842 -6.089 -10.207 225 3HG1 VAL 27 3HG1 VAL 27 -6.194 -7.666 -9.757 226 1HG2 VAL 27 1HG2 VAL 27 -6.286 -4.619 -7.107 227 2HG2 VAL 27 2HG2 VAL 27 -7.425 -5.066 -8.378 228 3HG2 VAL 27 3HG2 VAL 27 -6.077 -3.988 -8.741 229 H GLU 28 H GLU 28 -7.174 -9.021 -8.254 230 HA GLU 28 HA GLU 28 -9.723 -7.765 -7.619 231 1HB GLU 28 2HB GLU 28 -9.380 -9.362 -9.524 232 2HB GLU 28 1HB GLU 28 -9.189 -10.658 -8.342 233 1HG GLU 28 2HG GLU 28 -11.417 -10.612 -7.718 234 2HG GLU 28 1HG GLU 28 -11.603 -8.905 -8.126 235 H ARG 29 H ARG 29 -7.852 -10.457 -6.191 236 HA ARG 29 HA ARG 29 -9.722 -10.339 -3.855 237 1HB ARG 29 2HB ARG 29 -8.232 -12.623 -5.131 238 2HB ARG 29 1HB ARG 29 -8.740 -12.717 -3.445 239 1HG ARG 29 2HG ARG 29 -11.048 -12.448 -4.031 240 2HG ARG 29 1HG ARG 29 -10.641 -12.010 -5.691 241 1HD ARG 29 2HD ARG 29 -11.437 -14.423 -5.299 242 2HD ARG 29 1HD ARG 29 -9.946 -14.221 -6.218 243 HE ARG 29 HE ARG 29 -8.701 -14.838 -4.165 244 1HH1 ARG 29 1HH2 ARG 29 -10.997 -14.272 -2.252 245 2HH1 ARG 29 2HH2 ARG 29 -11.494 -15.877 -1.835 246 1HH2 ARG 29 1HH1 ARG 29 -9.816 -17.369 -4.477 247 2HH2 ARG 29 2HH1 ARG 29 -10.826 -17.630 -3.094 248 H ALA 30 H ALA 30 -6.968 -8.996 -4.588 249 HA ALA 30 HA ALA 30 -5.099 -10.006 -2.641 250 1HB ALA 30 1HB ALA 30 -3.702 -8.503 -3.580 251 2HB ALA 30 2HB ALA 30 -4.800 -7.165 -3.244 252 3HB ALA 30 3HB ALA 30 -5.013 -8.135 -4.701 253 H VAL 31 H VAL 31 -5.177 -9.759 -0.471 254 HA VAL 31 HA VAL 31 -6.949 -7.627 0.640 255 HB VAL 31 HB VAL 31 -6.839 -9.013 2.739 256 1HG1 VAL 31 1HG1 VAL 31 -7.743 -11.037 0.842 257 2HG1 VAL 31 2HG1 VAL 31 -8.318 -9.426 0.409 258 3HG1 VAL 31 3HG1 VAL 31 -8.680 -10.095 2.001 259 1HG2 VAL 31 1HG2 VAL 31 -4.604 -10.082 1.794 260 2HG2 VAL 31 2HG2 VAL 31 -5.720 -11.245 1.078 261 3HG2 VAL 31 3HG2 VAL 31 -5.677 -11.026 2.827 262 HA PRO 32 HA PRO 32 -3.452 -5.584 2.330 263 1HB PRO 32 2HB PRO 32 -4.542 -4.566 4.643 264 2HB PRO 32 1HB PRO 32 -4.886 -3.916 3.030 265 1HG PRO 32 2HG PRO 32 -6.616 -5.603 4.783 266 2HG PRO 32 1HG PRO 32 -7.083 -4.431 3.540 267 1HD PRO 32 2HD PRO 32 -7.078 -7.238 3.236 268 2HD PRO 32 1HD PRO 32 -7.183 -6.052 1.917 269 H LYS 33 H LYS 33 -5.104 -7.996 4.240 270 HA LYS 33 HA LYS 33 -3.221 -8.120 6.419 271 1HB LYS 33 2HB LYS 33 -5.386 -9.095 6.747 272 2HB LYS 33 1HB LYS 33 -5.231 -10.084 5.297 273 1HG LYS 33 2HG LYS 33 -3.059 -10.479 7.247 274 2HG LYS 33 1HG LYS 33 -4.652 -10.956 7.837 275 1HD LYS 33 2HD LYS 33 -4.985 -12.455 5.996 276 2HD LYS 33 1HD LYS 33 -3.582 -11.816 5.140 277 1HE LYS 33 2HE LYS 33 -2.804 -13.837 6.101 278 2HE LYS 33 1HE LYS 33 -2.212 -12.580 7.188 279 1HZ LYS 33 1HZ LYS 33 -3.980 -12.996 8.691 280 2HZ LYS 33 2HZ LYS 33 -3.289 -14.501 8.311 281 3HZ LYS 33 3HZ LYS 33 -4.761 -14.036 7.603 282 H LYS 34 H LYS 34 -3.657 -10.169 3.517 283 HA LYS 34 HA LYS 34 -1.263 -11.692 3.985 284 1HB LYS 34 2HB LYS 34 -3.145 -11.310 1.689 285 2HB LYS 34 1HB LYS 34 -1.572 -12.037 1.362 286 1HG LYS 34 2HG LYS 34 -1.969 -13.790 2.982 287 2HG LYS 34 1HG LYS 34 -3.456 -13.011 3.524 288 1HD LYS 34 2HD LYS 34 -4.108 -14.780 2.035 289 2HD LYS 34 1HD LYS 34 -4.328 -13.269 1.154 290 1HE LYS 34 2HE LYS 34 -3.112 -14.330 -0.459 291 2HE LYS 34 1HE LYS 34 -1.739 -13.831 0.529 292 1HZ LYS 34 1HZ LYS 34 -1.393 -15.913 1.261 293 2HZ LYS 34 2HZ LYS 34 -2.224 -16.355 -0.154 294 3HZ LYS 34 3HZ LYS 34 -3.044 -16.295 1.333 295 H ILE 35 H ILE 35 -1.941 -8.755 2.088 296 HA ILE 35 HA ILE 35 0.696 -8.628 0.942 297 HB ILE 35 HB ILE 35 -1.395 -6.499 1.426 298 1HG1 ILE 35 2HG1 ILE 35 -0.612 -8.355 -0.786 299 2HG1 ILE 35 1HG1 ILE 35 -2.215 -7.815 -0.300 300 1HG2 ILE 35 1HG2 ILE 35 1.295 -6.335 0.026 301 2HG2 ILE 35 2HG2 ILE 35 0.788 -5.422 1.447 302 3HG2 ILE 35 3HG2 ILE 35 0.032 -5.112 -0.114 303 1HD1 ILE 35 1HD1 ILE 35 -1.227 -5.463 -1.151 304 2HD1 ILE 35 2HD1 ILE 35 -2.026 -6.598 -2.241 305 3HD1 ILE 35 3HD1 ILE 35 -0.265 -6.544 -2.158 306 H LEU 36 H LEU 36 -0.621 -7.804 4.052 307 HA LEU 36 HA LEU 36 1.295 -5.928 4.950 308 1HB LEU 36 2HB LEU 36 -0.671 -6.626 6.302 309 2HB LEU 36 1HB LEU 36 0.058 -8.215 6.526 310 HG LEU 36 HG LEU 36 2.029 -7.112 7.598 311 1HD1 LEU 36 1HD1 LEU 36 0.746 -4.621 8.247 312 2HD1 LEU 36 2HD1 LEU 36 0.818 -4.793 6.493 313 3HD1 LEU 36 3HD1 LEU 36 2.297 -4.883 7.450 314 1HD2 LEU 36 1HD2 LEU 36 1.012 -7.113 9.664 315 2HD2 LEU 36 2HD2 LEU 36 -0.311 -7.812 8.730 316 3HD2 LEU 36 3HD2 LEU 36 -0.321 -6.093 9.124 317 H ASP 37 H ASP 37 1.443 -9.458 4.671 318 HA ASP 37 HA ASP 37 4.121 -9.630 5.815 319 1HB ASP 37 2HB ASP 37 2.457 -11.548 4.155 320 2HB ASP 37 1HB ASP 37 4.065 -11.944 4.765 321 H LEU 38 H LEU 38 2.699 -9.331 2.607 322 HA LEU 38 HA LEU 38 4.991 -9.788 1.012 323 1HB LEU 38 2HB LEU 38 2.485 -8.165 0.700 324 2HB LEU 38 1HB LEU 38 3.771 -7.994 -0.494 325 HG LEU 38 HG LEU 38 2.994 -10.766 0.283 326 1HD1 LEU 38 1HD1 LEU 38 1.307 -10.390 -1.792 327 2HD1 LEU 38 2HD1 LEU 38 1.196 -8.798 -1.042 328 3HD1 LEU 38 3HD1 LEU 38 0.794 -10.240 -0.112 329 1HD2 LEU 38 1HD2 LEU 38 4.558 -10.912 -1.379 330 2HD2 LEU 38 2HD2 LEU 38 4.219 -9.286 -1.971 331 3HD2 LEU 38 3HD2 LEU 38 3.174 -10.628 -2.435 332 H MET 39 H MET 39 4.058 -7.025 2.976 333 HA MET 39 HA MET 39 6.102 -5.283 1.793 334 1HB MET 39 2HB MET 39 4.200 -5.029 4.126 335 2HB MET 39 1HB MET 39 5.456 -3.828 3.826 336 1HG MET 39 2HG MET 39 3.317 -4.670 1.848 337 2HG MET 39 1HG MET 39 3.333 -3.161 2.762 338 1HE MET 39 1HE MET 39 4.509 -1.474 2.663 339 2HE MET 39 2HE MET 39 4.298 -0.872 1.021 340 3HE MET 39 3HE MET 39 5.920 -1.051 1.685 341 H ASN 40 H ASN 40 5.658 -7.077 4.841 342 HA ASN 40 HA ASN 40 7.210 -7.619 6.518 343 1HB ASN 40 2HB ASN 40 8.075 -8.809 4.371 344 2HB ASN 40 1HB ASN 40 9.308 -7.547 4.353 345 1HD2 ASN 40 1HD2 ASN 40 8.770 -10.645 5.471 346 2HD2 ASN 40 2HD2 ASN 40 9.840 -10.652 6.789 347 H VAL 41 H VAL 41 6.826 -4.744 5.664 348 HA VAL 41 HA VAL 41 9.462 -3.539 6.203 349 HB VAL 41 HB VAL 41 6.727 -2.297 5.787 350 1HG1 VAL 41 1HG1 VAL 41 8.012 -0.744 7.063 351 2HG1 VAL 41 2HG1 VAL 41 8.170 -0.219 5.387 352 3HG1 VAL 41 3HG1 VAL 41 9.483 -1.108 6.160 353 1HG2 VAL 41 1HG2 VAL 41 7.470 -3.318 3.749 354 2HG2 VAL 41 2HG2 VAL 41 9.124 -2.754 3.992 355 3HG2 VAL 41 3HG2 VAL 41 7.847 -1.602 3.599 356 H ASP 42 H ASP 42 9.801 -2.097 8.036 357 HA ASP 42 HA ASP 42 8.417 -3.075 10.456 358 1HB ASP 42 2HB ASP 42 10.176 -1.941 11.687 359 2HB ASP 42 1HB ASP 42 10.919 -2.845 10.366 360 H LYS 43 H LYS 43 7.107 -1.793 11.745 361 HA LYS 43 HA LYS 43 5.948 0.131 12.468 362 1HB LYS 43 2HB LYS 43 8.185 1.239 11.325 363 2HB LYS 43 1HB LYS 43 6.895 1.930 10.339 364 1HG LYS 43 2HG LYS 43 6.638 3.435 12.009 365 2HG LYS 43 1HG LYS 43 5.875 2.120 12.904 366 1HD LYS 43 2HD LYS 43 8.807 2.891 12.978 367 2HD LYS 43 1HD LYS 43 7.634 3.079 14.284 368 1HE LYS 43 2HE LYS 43 8.107 0.997 14.987 369 2HE LYS 43 1HE LYS 43 7.529 0.362 13.446 370 1HZ LYS 43 1HZ LYS 43 9.859 1.118 12.631 371 2HZ LYS 43 2HZ LYS 43 9.689 -0.354 13.462 372 3HZ LYS 43 3HZ LYS 43 10.270 1.021 14.274 373 H LEU 44 H LEU 44 5.860 -1.282 9.400 374 HA LEU 44 HA LEU 44 3.623 0.344 8.400 375 1HB LEU 44 2HB LEU 44 5.215 -1.974 7.386 376 2HB LEU 44 1HB LEU 44 3.586 -1.757 6.744 377 HG LEU 44 HG LEU 44 5.828 0.287 6.718 378 1HD1 LEU 44 1HD1 LEU 44 5.115 -1.795 4.935 379 2HD1 LEU 44 2HD1 LEU 44 6.266 -0.489 4.649 380 3HD1 LEU 44 3HD1 LEU 44 4.575 -0.293 4.184 381 1HD2 LEU 44 1HD2 LEU 44 3.968 1.657 6.957 382 2HD2 LEU 44 2HD2 LEU 44 2.878 0.480 6.222 383 3HD2 LEU 44 3HD2 LEU 44 3.962 1.432 5.207 384 H THR 45 H THR 45 1.533 -0.032 8.949 385 HA THR 45 HA THR 45 0.900 -2.649 10.246 386 HB THR 45 HB THR 45 -1.150 -1.305 11.077 387 HG1 THR 45 1HG THR 45 -0.748 0.942 11.118 388 1HG2 THR 45 1HG2 THR 45 0.205 -0.284 12.909 389 2HG2 THR 45 2HG2 THR 45 1.663 -0.614 11.972 390 3HG2 THR 45 3HG2 THR 45 0.672 -1.949 12.560 391 H ARG 46 H ARG 46 -1.236 -3.568 9.741 392 HA ARG 46 HA ARG 46 -1.812 -3.401 6.886 393 1HB ARG 46 2HB ARG 46 -3.338 -5.215 7.277 394 2HB ARG 46 1HB ARG 46 -1.928 -5.517 8.295 395 1HG ARG 46 2HG ARG 46 -3.154 -4.357 10.178 396 2HG ARG 46 1HG ARG 46 -4.587 -4.348 9.150 397 1HD ARG 46 2HD ARG 46 -3.960 -6.937 8.909 398 2HD ARG 46 1HD ARG 46 -3.227 -6.642 10.486 399 HE ARG 46 HE ARG 46 -5.940 -7.078 10.190 400 1HH1 ARG 46 1HH1 ARG 46 -4.186 -5.849 12.555 401 2HH1 ARG 46 2HH1 ARG 46 -5.252 -4.569 13.032 402 1HH2 ARG 46 1HH2 ARG 46 -7.236 -4.810 10.197 403 2HH2 ARG 46 2HH2 ARG 46 -6.980 -3.982 11.697 404 H GLU 47 H GLU 47 -2.972 -1.851 9.732 405 HA GLU 47 HA GLU 47 -5.647 -1.265 8.763 406 1HB GLU 47 2HB GLU 47 -4.082 0.316 10.815 407 2HB GLU 47 1HB GLU 47 -5.834 0.174 10.669 408 1HG GLU 47 2HG GLU 47 -5.887 -1.854 11.711 409 2HG GLU 47 1HG GLU 47 -4.382 -2.389 10.963 410 H ASN 48 H ASN 48 -2.492 0.102 8.264 411 HA ASN 48 HA ASN 48 -3.489 2.699 7.360 412 1HB ASN 48 2HB ASN 48 -0.812 1.341 7.446 413 2HB ASN 48 1HB ASN 48 -1.026 2.769 6.434 414 1HD2 ASN 48 1HD2 ASN 48 0.402 2.273 9.166 415 2HD2 ASN 48 2HD2 ASN 48 -0.178 3.535 10.141 416 H VAL 49 H VAL 49 -2.420 -0.329 5.852 417 HA VAL 49 HA VAL 49 -2.740 0.769 3.151 418 HB VAL 49 HB VAL 49 -2.193 -2.030 4.178 419 1HG1 VAL 49 1HG1 VAL 49 -1.764 -2.611 1.819 420 2HG1 VAL 49 2HG1 VAL 49 -2.266 -0.994 1.327 421 3HG1 VAL 49 3HG1 VAL 49 -3.437 -2.101 2.044 422 1HG2 VAL 49 1HG2 VAL 49 -0.112 -1.149 4.350 423 2HG2 VAL 49 2HG2 VAL 49 -0.572 0.306 3.466 424 3HG2 VAL 49 3HG2 VAL 49 -0.095 -1.147 2.587 425 H ALA 50 H ALA 50 -4.663 -0.962 5.478 426 HA ALA 50 HA ALA 50 -6.616 -1.943 3.566 427 1HB ALA 50 1HB ALA 50 -7.994 -2.392 5.596 428 2HB ALA 50 2HB ALA 50 -6.783 -1.556 6.569 429 3HB ALA 50 3HB ALA 50 -6.363 -3.050 5.730 430 H SER 51 H SER 51 -6.366 0.896 5.682 431 HA SER 51 HA SER 51 -9.006 1.896 5.038 432 1HB SER 51 2HB SER 51 -6.552 3.090 6.317 433 2HB SER 51 1HB SER 51 -7.942 4.097 5.923 434 HG SER 51 HG SER 51 -7.728 1.937 7.716 435 H HIS 52 H HIS 52 -5.748 2.468 3.751 436 HA HIS 52 HA HIS 52 -6.559 4.582 1.955 437 1HB HIS 52 2HB HIS 52 -4.217 4.353 2.543 438 2HB HIS 52 1HB HIS 52 -4.180 2.702 1.925 439 HD1 HIS 52 1HD HIS 52 -3.406 6.063 0.926 440 HD2 HIS 52 2HD HIS 52 -4.918 2.709 -1.036 441 HE1 HIS 52 1HE HIS 52 -3.054 6.463 -1.550 442 H LEU 53 H LEU 53 -6.654 1.100 1.843 443 HA LEU 53 HA LEU 53 -6.943 0.870 -1.029 444 1HB LEU 53 2HB LEU 53 -6.213 -1.045 0.290 445 2HB LEU 53 1HB LEU 53 -7.708 -1.007 1.227 446 HG LEU 53 HG LEU 53 -8.808 -1.177 -1.194 447 1HD1 LEU 53 1HD1 LEU 53 -7.260 -2.913 -2.418 448 2HD1 LEU 53 2HD1 LEU 53 -5.972 -2.121 -1.509 449 3HD1 LEU 53 3HD1 LEU 53 -6.964 -1.188 -2.629 450 1HD2 LEU 53 1HD2 LEU 53 -9.349 -2.850 0.359 451 2HD2 LEU 53 2HD2 LEU 53 -7.664 -3.321 0.583 452 3HD2 LEU 53 3HD2 LEU 53 -8.514 -3.765 -0.898 453 H GLN 54 H GLN 54 -9.274 0.831 1.688 454 HA GLN 54 HA GLN 54 -11.573 0.675 -0.077 455 1HB GLN 54 2HB GLN 54 -11.159 1.186 2.855 456 2HB GLN 54 1HB GLN 54 -12.734 1.517 2.132 457 1HG GLN 54 2HG GLN 54 -11.715 -1.042 1.227 458 2HG GLN 54 1HG GLN 54 -11.767 -0.981 2.989 459 1HE2 GLN 54 1HE2 GLN 54 -13.992 0.350 3.677 460 2HE2 GLN 54 2HE2 GLN 54 -15.386 -0.295 2.955 461 H LYS 55 H LYS 55 -9.638 3.264 1.249 462 HA LYS 55 HA LYS 55 -11.611 5.332 0.591 463 1HB LYS 55 2HB LYS 55 -8.846 5.286 1.747 464 2HB LYS 55 1HB LYS 55 -9.450 6.791 1.051 465 1HG LYS 55 2HG LYS 55 -11.430 5.474 2.755 466 2HG LYS 55 1HG LYS 55 -9.954 5.888 3.627 467 1HD LYS 55 2HD LYS 55 -10.153 8.200 2.498 468 2HD LYS 55 1HD LYS 55 -11.808 7.725 2.113 469 1HE LYS 55 2HE LYS 55 -12.383 7.496 4.419 470 2HE LYS 55 1HE LYS 55 -10.694 7.579 4.921 471 1HZ LYS 55 1HZ LYS 55 -11.244 9.865 3.429 472 2HZ LYS 55 2HZ LYS 55 -10.910 9.759 5.092 473 3HZ LYS 55 3HZ LYS 55 -12.514 9.686 4.539 474 H PHE 56 H PHE 56 -8.949 3.727 -0.976 475 HA PHE 56 HA PHE 56 -8.462 5.799 -2.948 476 1HB PHE 56 2HB PHE 56 -6.893 3.863 -2.281 477 2HB PHE 56 1HB PHE 56 -7.895 2.854 -3.325 478 HD1 PHE 56 1HD PHE 56 -7.765 3.015 -5.714 479 HD2 PHE 56 2HD PHE 56 -5.692 5.844 -3.233 480 HE1 PHE 56 1HE PHE 56 -6.542 3.858 -7.699 481 HE2 PHE 56 2HE PHE 56 -4.468 6.687 -5.219 482 HZ PHE 56 HZ PHE 56 -4.892 5.694 -7.451 483 H ARG 57 H ARG 57 -10.435 2.826 -2.879 484 HA ARG 57 HA ARG 57 -11.322 2.985 -5.600 485 1HB ARG 57 2HB ARG 57 -12.730 1.862 -3.150 486 2HB ARG 57 1HB ARG 57 -13.236 1.584 -4.818 487 1HG ARG 57 2HG ARG 57 -10.450 0.997 -4.662 488 2HG ARG 57 1HG ARG 57 -11.242 0.181 -3.313 489 1HD ARG 57 2HD ARG 57 -12.422 0.050 -6.081 490 2HD ARG 57 1HD ARG 57 -11.129 -1.050 -5.605 491 HE ARG 57 HE ARG 57 -12.622 -1.983 -3.912 492 1HH1 ARG 57 1HH2 ARG 57 -14.023 -0.850 -6.702 493 2HH1 ARG 57 2HH2 ARG 57 -15.636 -0.746 -6.080 494 1HH2 ARG 57 1HH1 ARG 57 -14.689 -1.324 -2.794 495 2HH2 ARG 57 2HH1 ARG 57 -16.013 -1.016 -3.867 496 H VAL 58 H VAL 58 -12.638 4.330 -2.572 497 HA VAL 58 HA VAL 58 -14.920 5.589 -3.789 498 HB VAL 58 HB VAL 58 -13.357 6.247 -1.270 499 1HG1 VAL 58 1HG1 VAL 58 -16.125 7.239 -1.968 500 2HG1 VAL 58 2HG1 VAL 58 -14.681 8.174 -2.353 501 3HG1 VAL 58 3HG1 VAL 58 -15.061 7.791 -0.675 502 1HG2 VAL 58 1HG2 VAL 58 -15.415 5.250 -0.204 503 2HG2 VAL 58 2HG2 VAL 58 -14.472 4.098 -1.150 504 3HG2 VAL 58 3HG2 VAL 58 -15.956 4.780 -1.816 505 H ALA 59 H ALA 59 -11.561 6.505 -3.314 506 HA ALA 59 HA ALA 59 -11.939 9.227 -4.312 507 1HB ALA 59 1HB ALA 59 -10.101 8.385 -2.688 508 2HB ALA 59 2HB ALA 59 -9.615 9.500 -3.966 509 3HB ALA 59 3HB ALA 59 -9.302 7.773 -4.136 510 H LEU 60 H LEU 60 -11.689 6.143 -5.673 511 HA LEU 60 HA LEU 60 -10.332 6.903 -8.138 512 1HB LEU 60 2HB LEU 60 -11.638 4.453 -7.036 513 2HB LEU 60 1HB LEU 60 -11.492 4.574 -8.787 514 HG LEU 60 HG LEU 60 -9.145 5.089 -6.958 515 1HD1 LEU 60 1HD1 LEU 60 -8.568 2.654 -7.857 516 2HD1 LEU 60 2HD1 LEU 60 -10.324 2.505 -7.900 517 3HD1 LEU 60 3HD1 LEU 60 -9.507 2.875 -6.382 518 1HD2 LEU 60 1HD2 LEU 60 -8.612 5.869 -9.094 519 2HD2 LEU 60 2HD2 LEU 60 -9.605 4.651 -9.895 520 3HD2 LEU 60 3HD2 LEU 60 -8.053 4.198 -9.189 521 H LYS 61 H LYS 61 -13.221 7.840 -6.979 522 HA LYS 61 HA LYS 61 -14.758 7.449 -9.480 523 1HB LYS 61 2HB LYS 61 -15.994 7.143 -7.412 524 2HB LYS 61 1HB LYS 61 -15.477 8.725 -6.824 525 1HG LYS 61 2HG LYS 61 -17.127 9.767 -7.954 526 2HG LYS 61 1HG LYS 61 -16.707 8.931 -9.449 527 1HD LYS 61 2HD LYS 61 -17.847 6.880 -8.139 528 2HD LYS 61 1HD LYS 61 -18.722 8.210 -7.378 529 1HE LYS 61 2HE LYS 61 -20.025 8.387 -9.201 530 2HE LYS 61 1HE LYS 61 -18.601 8.752 -10.174 531 1HZ LYS 61 1HZ LYS 61 -19.503 6.010 -9.479 532 2HZ LYS 61 2HZ LYS 61 -18.232 6.427 -10.526 533 3HZ LYS 61 3HZ LYS 61 -19.838 6.784 -10.950 534 H LYS 62 H LYS 62 -12.960 9.911 -7.759 535 HA LYS 62 HA LYS 62 -13.731 11.871 -9.886 536 1HB LYS 62 2HB LYS 62 -14.030 12.190 -7.174 537 2HB LYS 62 1HB LYS 62 -12.455 12.936 -7.451 538 1HG LYS 62 2HG LYS 62 -13.322 14.601 -8.799 539 2HG LYS 62 1HG LYS 62 -14.667 13.600 -9.348 540 1HD LYS 62 2HD LYS 62 -15.948 14.716 -7.862 541 2HD LYS 62 1HD LYS 62 -15.085 13.833 -6.602 542 1HE LYS 62 2HE LYS 62 -14.186 15.761 -5.874 543 2HE LYS 62 1HE LYS 62 -13.413 15.985 -7.442 544 1HZ LYS 62 1HZ LYS 62 -14.811 17.852 -6.995 545 2HZ LYS 62 2HZ LYS 62 -16.143 16.851 -6.662 546 3HZ LYS 62 3HZ LYS 62 -15.524 16.949 -8.241 547 H VAL 63 H VAL 63 -11.856 10.309 -10.814 548 HA VAL 63 HA VAL 63 -9.273 11.720 -10.274 549 HB VAL 63 HB VAL 63 -9.231 9.353 -9.531 550 1HG1 VAL 63 1HG1 VAL 63 -10.345 7.814 -10.738 551 2HG1 VAL 63 2HG1 VAL 63 -9.177 8.024 -12.042 552 3HG1 VAL 63 3HG1 VAL 63 -10.647 8.998 -12.010 553 1HG2 VAL 63 1HG2 VAL 63 -7.129 8.917 -10.431 554 2HG2 VAL 63 2HG2 VAL 63 -7.292 10.632 -10.809 555 3HG2 VAL 63 3HG2 VAL 63 -7.605 9.421 -12.053 556 H SER 64 H SER 64 -10.149 13.208 -12.002 557 HA SER 64 HA SER 64 -10.408 12.148 -14.708 558 1HB SER 64 2HB SER 64 -10.156 14.774 -15.146 559 2HB SER 64 1HB SER 64 -11.656 14.080 -14.539 560 HG SER 64 HG SER 64 -11.252 15.590 -13.068 Start of MODEL 7 1 1H THR 1 1HT THR 1 27.560 10.647 -3.387 2 2H THR 1 2HT THR 1 28.145 9.057 -3.261 3 3H THR 1 3HT THR 1 28.533 10.205 -2.070 4 HA THR 1 HA THR 1 25.808 9.172 -2.642 5 HB THR 1 HB THR 1 26.697 8.639 0.009 6 HG1 THR 1 1HG THR 1 28.576 7.587 -0.311 7 1HG2 THR 1 1HG2 THR 1 25.053 7.366 -1.379 8 2HG2 THR 1 2HG2 THR 1 26.276 6.332 -0.642 9 3HG2 THR 1 3HG2 THR 1 26.394 6.760 -2.348 10 H ALA 2 H ALA 2 24.289 10.621 -2.004 11 HA ALA 2 HA ALA 2 24.963 12.477 0.233 12 1HB ALA 2 1HB ALA 2 24.048 14.361 -0.941 13 2HB ALA 2 2HB ALA 2 23.450 13.335 -2.245 14 3HB ALA 2 3HB ALA 2 25.184 13.587 -2.046 15 H GLN 3 H GLN 3 23.636 11.008 1.518 16 HA GLN 3 HA GLN 3 21.598 10.571 2.611 17 1HB GLN 3 2HB GLN 3 21.119 12.983 1.123 18 2HB GLN 3 1HB GLN 3 19.693 11.950 1.015 19 1HG GLN 3 2HG GLN 3 19.432 11.863 3.365 20 2HG GLN 3 1HG GLN 3 21.072 12.446 3.652 21 1HE2 GLN 3 1HE2 GLN 3 21.509 14.770 3.097 22 2HE2 GLN 3 2HE2 GLN 3 20.227 15.884 3.114 23 H LYS 4 H LYS 4 20.148 8.881 2.351 24 HA LYS 4 HA LYS 4 19.587 8.003 -0.450 25 1HB LYS 4 2HB LYS 4 20.395 6.286 1.915 26 2HB LYS 4 1HB LYS 4 19.782 5.642 0.392 27 1HG LYS 4 2HG LYS 4 21.720 6.085 -0.729 28 2HG LYS 4 1HG LYS 4 21.994 7.595 0.140 29 1HD LYS 4 2HD LYS 4 23.726 6.144 0.879 30 2HD LYS 4 1HD LYS 4 22.536 6.130 2.182 31 1HE LYS 4 2HE LYS 4 22.337 3.902 1.965 32 2HE LYS 4 1HE LYS 4 21.781 4.119 0.306 33 1HZ LYS 4 1HZ LYS 4 24.424 3.428 1.304 34 2HZ LYS 4 2HZ LYS 4 24.380 4.489 -0.021 35 3HZ LYS 4 3HZ LYS 4 23.648 2.960 -0.128 36 H LYS 5 H LYS 5 17.565 9.276 0.113 37 HA LYS 5 HA LYS 5 15.318 9.351 0.795 38 1HB LYS 5 2HB LYS 5 15.243 7.388 -0.700 39 2HB LYS 5 1HB LYS 5 15.685 6.343 0.651 40 1HG LYS 5 2HG LYS 5 13.590 6.385 1.528 41 2HG LYS 5 1HG LYS 5 13.382 8.103 1.188 42 1HD LYS 5 2HD LYS 5 13.241 5.919 -0.911 43 2HD LYS 5 1HD LYS 5 11.835 6.650 -0.139 44 1HE LYS 5 2HE LYS 5 12.047 8.613 -1.291 45 2HE LYS 5 1HE LYS 5 13.810 8.539 -1.292 46 1HZ LYS 5 1HZ LYS 5 11.935 7.055 -3.041 47 2HZ LYS 5 2HZ LYS 5 13.585 6.669 -2.916 48 3HZ LYS 5 3HZ LYS 5 13.107 8.190 -3.503 49 HA PRO 6 HA PRO 6 16.139 8.697 5.206 50 1HB PRO 6 2HB PRO 6 14.864 11.005 5.979 51 2HB PRO 6 1HB PRO 6 16.554 10.953 5.449 52 1HG PRO 6 2HG PRO 6 14.160 11.967 3.990 53 2HG PRO 6 1HG PRO 6 15.862 12.424 3.808 54 1HD PRO 6 2HD PRO 6 14.409 10.691 2.096 55 2HD PRO 6 1HD PRO 6 16.171 10.919 2.108 56 H ARG 7 H ARG 7 14.744 7.158 6.020 57 HA ARG 7 HA ARG 7 12.744 6.100 6.647 58 1HB ARG 7 2HB ARG 7 12.158 9.030 7.071 59 2HB ARG 7 1HB ARG 7 10.951 7.794 7.430 60 1HG ARG 7 2HG ARG 7 12.707 6.639 8.850 61 2HG ARG 7 1HG ARG 7 13.710 8.075 8.643 62 1HD ARG 7 2HD ARG 7 11.274 9.147 9.383 63 2HD ARG 7 1HD ARG 7 11.356 7.675 10.350 64 HE ARG 7 HE ARG 7 13.813 8.706 10.814 65 1HH1 ARG 7 1HH1 ARG 7 10.605 9.953 10.935 66 2HH1 ARG 7 2HH1 ARG 7 11.019 11.287 11.958 67 1HH2 ARG 7 1HH2 ARG 7 14.400 10.524 12.040 68 2HH2 ARG 7 2HH2 ARG 7 13.164 11.610 12.584 69 H VAL 8 H VAL 8 11.819 5.064 4.911 70 HA VAL 8 HA VAL 8 10.514 6.660 2.793 71 HB VAL 8 HB VAL 8 10.528 3.652 2.964 72 1HG1 VAL 8 1HG1 VAL 8 9.205 4.607 1.178 73 2HG1 VAL 8 2HG1 VAL 8 10.681 3.961 0.463 74 3HG1 VAL 8 3HG1 VAL 8 10.514 5.696 0.727 75 1HG2 VAL 8 1HG2 VAL 8 12.773 3.590 2.814 76 2HG2 VAL 8 2HG2 VAL 8 12.838 5.347 2.940 77 3HG2 VAL 8 3HG2 VAL 8 12.694 4.581 1.358 78 H LEU 9 H LEU 9 8.441 7.288 3.172 79 HA LEU 9 HA LEU 9 6.701 5.496 4.806 80 1HB LEU 9 2HB LEU 9 7.079 7.970 5.433 81 2HB LEU 9 1HB LEU 9 6.089 8.349 4.023 82 HG LEU 9 HG LEU 9 4.307 6.832 4.971 83 1HD1 LEU 9 1HD1 LEU 9 6.440 6.270 6.816 84 2HD1 LEU 9 2HD1 LEU 9 4.852 5.511 6.708 85 3HD1 LEU 9 3HD1 LEU 9 5.075 6.949 7.704 86 1HD2 LEU 9 1HD2 LEU 9 5.139 9.116 6.787 87 2HD2 LEU 9 2HD2 LEU 9 3.507 8.482 6.575 88 3HD2 LEU 9 3HD2 LEU 9 4.304 9.326 5.248 89 H TRP 10 H TRP 10 6.961 7.230 1.745 90 HA TRP 10 HA TRP 10 5.281 5.331 0.369 91 1HB TRP 10 2HB TRP 10 4.087 7.930 1.290 92 2HB TRP 10 1HB TRP 10 3.602 7.270 -0.272 93 HD1 TRP 10 HD TRP 10 2.307 7.306 2.988 94 HE1 TRP 10 1HE TRP 10 1.005 5.166 3.598 95 HE3 TRP 10 3HE TRP 10 3.991 4.179 -0.678 96 HZ2 TRP 10 2HZ TRP 10 0.717 2.480 2.652 97 HZ3 TRP 10 3HZ TRP 10 3.188 1.837 -0.801 98 HH2 TRP 10 HH TRP 10 1.555 0.984 0.857 99 H THR 11 H THR 11 7.554 5.672 -0.603 100 HA THR 11 HA THR 11 7.510 8.000 -2.485 101 HB THR 11 HB THR 11 9.988 7.645 -2.637 102 HG1 THR 11 1HG THR 11 10.827 5.981 -1.697 103 1HG2 THR 11 1HG2 THR 11 9.945 8.021 0.178 104 2HG2 THR 11 2HG2 THR 11 8.451 8.707 -0.460 105 3HG2 THR 11 3HG2 THR 11 10.009 9.259 -1.076 106 H HIS 12 H HIS 12 8.900 7.408 -4.542 107 HA HIS 12 HA HIS 12 7.500 5.486 -6.052 108 1HB HIS 12 2HB HIS 12 9.457 7.349 -6.581 109 2HB HIS 12 1HB HIS 12 10.311 5.831 -6.853 110 HD1 HIS 12 1HD HIS 12 9.755 7.495 -9.308 111 HD2 HIS 12 2HD HIS 12 7.040 4.678 -7.870 112 HE1 HIS 12 1HE HIS 12 8.270 6.870 -11.262 113 H GLU 13 H GLU 13 10.107 5.049 -3.791 114 HA GLU 13 HA GLU 13 10.903 2.427 -4.798 115 1HB GLU 13 2HB GLU 13 12.370 4.004 -3.434 116 2HB GLU 13 1HB GLU 13 11.399 3.553 -2.032 117 1HG GLU 13 2HG GLU 13 12.008 1.217 -2.291 118 2HG GLU 13 1HG GLU 13 12.848 1.565 -3.804 119 H LEU 14 H LEU 14 9.346 3.438 -1.737 120 HA LEU 14 HA LEU 14 8.505 0.845 -0.964 121 1HB LEU 14 2HB LEU 14 7.705 3.630 -0.274 122 2HB LEU 14 1HB LEU 14 6.586 2.345 0.171 123 HG LEU 14 HG LEU 14 9.515 2.526 0.930 124 1HD1 LEU 14 1HD1 LEU 14 8.745 2.902 3.147 125 2HD1 LEU 14 2HD1 LEU 14 7.095 2.436 2.738 126 3HD1 LEU 14 3HD1 LEU 14 7.754 3.958 2.141 127 1HD2 LEU 14 1HD2 LEU 14 7.640 0.277 0.804 128 2HD2 LEU 14 2HD2 LEU 14 8.324 0.506 2.414 129 3HD2 LEU 14 3HD2 LEU 14 9.389 0.265 1.029 130 H HIS 15 H HIS 15 7.290 2.932 -3.424 131 HA HIS 15 HA HIS 15 4.603 1.823 -3.511 132 1HB HIS 15 2HB HIS 15 5.322 4.091 -4.424 133 2HB HIS 15 1HB HIS 15 6.068 3.217 -5.761 134 HD1 HIS 15 1HD HIS 15 2.860 1.998 -4.249 135 HD2 HIS 15 2HD HIS 15 4.098 4.108 -7.624 136 HE1 HIS 15 1HE HIS 15 0.859 2.111 -5.796 137 H ASN 16 H ASN 16 7.688 1.087 -5.059 138 HA ASN 16 HA ASN 16 6.628 -0.693 -7.054 139 1HB ASN 16 2HB ASN 16 9.339 -0.301 -5.802 140 2HB ASN 16 1HB ASN 16 9.051 -1.648 -6.904 141 1HD2 ASN 16 1HD2 ASN 16 9.202 -1.181 -9.113 142 2HD2 ASN 16 2HD2 ASN 16 9.212 0.384 -9.769 143 H LYS 17 H LYS 17 7.478 -1.095 -3.667 144 HA LYS 17 HA LYS 17 7.351 -4.011 -3.764 145 1HB LYS 17 2HB LYS 17 7.115 -2.269 -1.301 146 2HB LYS 17 1HB LYS 17 7.699 -3.931 -1.401 147 1HG LYS 17 2HG LYS 17 9.656 -3.212 -2.668 148 2HG LYS 17 1HG LYS 17 9.052 -1.555 -2.714 149 1HD LYS 17 2HD LYS 17 9.102 -1.552 -0.192 150 2HD LYS 17 1HD LYS 17 9.914 -3.115 -0.264 151 1HE LYS 17 2HE LYS 17 11.179 -1.205 -2.048 152 2HE LYS 17 1HE LYS 17 11.134 -0.592 -0.395 153 1HZ LYS 17 1HZ LYS 17 11.810 -3.326 -0.370 154 2HZ LYS 17 2HZ LYS 17 12.725 -1.999 0.168 155 3HZ LYS 17 3HZ LYS 17 12.841 -2.514 -1.447 156 H PHE 18 H PHE 18 5.162 -1.372 -2.845 157 HA PHE 18 HA PHE 18 3.079 -3.165 -1.901 158 1HB PHE 18 2HB PHE 18 3.159 -0.877 -1.072 159 2HB PHE 18 1HB PHE 18 3.009 -0.244 -2.711 160 HD1 PHE 18 1HD PHE 18 0.887 0.376 -3.446 161 HD2 PHE 18 2HD PHE 18 1.255 -2.650 -0.420 162 HE1 PHE 18 1HE PHE 18 -1.584 0.246 -3.274 163 HE2 PHE 18 2HE PHE 18 -1.215 -2.778 -0.247 164 HZ PHE 18 HZ PHE 18 -2.635 -1.330 -1.675 165 H LEU 19 H LEU 19 4.054 -1.916 -4.997 166 HA LEU 19 HA LEU 19 1.468 -2.464 -6.264 167 1HB LEU 19 2HB LEU 19 4.129 -1.436 -7.149 168 2HB LEU 19 1HB LEU 19 3.089 -2.173 -8.369 169 HG LEU 19 HG LEU 19 1.897 -0.177 -6.478 170 1HD1 LEU 19 1HD1 LEU 19 3.624 1.224 -7.131 171 2HD1 LEU 19 2HD1 LEU 19 2.508 1.471 -8.475 172 3HD1 LEU 19 3HD1 LEU 19 3.877 0.373 -8.655 173 1HD2 LEU 19 1HD2 LEU 19 0.353 0.149 -8.255 174 2HD2 LEU 19 2HD2 LEU 19 0.655 -1.588 -8.245 175 3HD2 LEU 19 3HD2 LEU 19 1.446 -0.563 -9.442 176 H ALA 20 H ALA 20 4.623 -4.056 -5.984 177 HA ALA 20 HA ALA 20 3.879 -6.200 -7.820 178 1HB ALA 20 1HB ALA 20 5.961 -7.136 -6.200 179 2HB ALA 20 2HB ALA 20 6.240 -5.399 -6.307 180 3HB ALA 20 3HB ALA 20 6.134 -6.368 -7.778 181 H ALA 21 H ALA 21 3.514 -5.536 -4.428 182 HA ALA 21 HA ALA 21 3.006 -8.303 -3.662 183 1HB ALA 21 1HB ALA 21 2.868 -5.628 -2.351 184 2HB ALA 21 2HB ALA 21 3.605 -7.122 -1.776 185 3HB ALA 21 3HB ALA 21 1.859 -6.904 -1.669 186 H VAL 22 H VAL 22 1.023 -5.444 -4.405 187 HA VAL 22 HA VAL 22 -1.511 -6.748 -3.964 188 HB VAL 22 HB VAL 22 -0.938 -4.480 -5.889 189 1HG1 VAL 22 1HG1 VAL 22 -3.354 -4.331 -4.303 190 2HG1 VAL 22 2HG1 VAL 22 -3.280 -5.860 -5.180 191 3HG1 VAL 22 3HG1 VAL 22 -3.173 -4.334 -6.058 192 1HG2 VAL 22 1HG2 VAL 22 -0.197 -4.485 -3.252 193 2HG2 VAL 22 2HG2 VAL 22 -1.835 -3.838 -3.157 194 3HG2 VAL 22 3HG2 VAL 22 -0.627 -3.039 -4.163 195 H ASP 23 H ASP 23 0.462 -6.142 -6.841 196 HA ASP 23 HA ASP 23 -1.250 -7.340 -8.768 197 1HB ASP 23 2HB ASP 23 0.939 -5.978 -9.068 198 2HB ASP 23 1HB ASP 23 1.755 -7.522 -8.876 199 H HIS 24 H HIS 24 1.341 -8.712 -6.765 200 HA HIS 24 HA HIS 24 1.294 -11.349 -7.823 201 1HB HIS 24 2HB HIS 24 3.059 -10.649 -6.305 202 2HB HIS 24 1HB HIS 24 1.891 -10.386 -5.011 203 HD1 HIS 24 1HD HIS 24 2.437 -13.342 -7.373 204 HD2 HIS 24 2HD HIS 24 2.155 -12.527 -3.296 205 HE1 HIS 24 1HE HIS 24 2.603 -15.572 -6.184 206 H LEU 25 H LEU 25 -0.958 -9.695 -5.754 207 HA LEU 25 HA LEU 25 -2.393 -12.275 -5.272 208 1HB LEU 25 2HB LEU 25 -2.893 -9.678 -3.817 209 2HB LEU 25 1HB LEU 25 -3.332 -11.310 -3.314 210 HG LEU 25 HG LEU 25 -0.433 -10.725 -3.752 211 1HD1 LEU 25 1HD1 LEU 25 -2.050 -9.109 -2.065 212 2HD1 LEU 25 2HD1 LEU 25 -0.290 -9.144 -2.158 213 3HD1 LEU 25 3HD1 LEU 25 -1.133 -10.190 -1.016 214 1HD2 LEU 25 1HD2 LEU 25 -2.057 -12.780 -2.631 215 2HD2 LEU 25 2HD2 LEU 25 -1.121 -12.076 -1.312 216 3HD2 LEU 25 3HD2 LEU 25 -0.297 -12.729 -2.729 217 H GLY 26 H GLY 26 -2.428 -9.618 -7.268 218 1HA GLY 26 2HA GLY 26 -4.093 -9.050 -8.868 219 2HA GLY 26 1HA GLY 26 -5.225 -10.106 -8.018 220 H VAL 27 H VAL 27 -4.278 -6.874 -8.492 221 HA VAL 27 HA VAL 27 -4.928 -5.619 -6.056 222 HB VAL 27 HB VAL 27 -3.991 -4.403 -7.981 223 1HG1 VAL 27 1HG1 VAL 27 -4.905 -4.688 -10.016 224 2HG1 VAL 27 2HG1 VAL 27 -6.357 -3.852 -9.465 225 3HG1 VAL 27 3HG1 VAL 27 -6.234 -5.604 -9.309 226 1HG2 VAL 27 1HG2 VAL 27 -6.673 -3.438 -6.948 227 2HG2 VAL 27 2HG2 VAL 27 -5.584 -2.425 -7.896 228 3HG2 VAL 27 3HG2 VAL 27 -5.075 -3.035 -6.322 229 H GLU 28 H GLU 28 -6.978 -7.306 -8.245 230 HA GLU 28 HA GLU 28 -9.458 -5.977 -7.657 231 1HB GLU 28 2HB GLU 28 -8.604 -8.191 -9.218 232 2HB GLU 28 1HB GLU 28 -9.874 -8.779 -8.143 233 1HG GLU 28 2HG GLU 28 -11.215 -7.953 -9.819 234 2HG GLU 28 1HG GLU 28 -11.011 -6.462 -8.897 235 H ARG 29 H ARG 29 -7.923 -8.879 -6.240 236 HA ARG 29 HA ARG 29 -9.829 -8.608 -3.946 237 1HB ARG 29 2HB ARG 29 -8.636 -11.003 -5.309 238 2HB ARG 29 1HB ARG 29 -9.077 -11.108 -3.605 239 1HG ARG 29 2HG ARG 29 -11.163 -11.584 -4.347 240 2HG ARG 29 1HG ARG 29 -11.278 -9.865 -4.723 241 1HD ARG 29 2HD ARG 29 -10.290 -10.365 -6.983 242 2HD ARG 29 1HD ARG 29 -10.402 -12.082 -6.596 243 HE ARG 29 HE ARG 29 -12.896 -10.494 -6.410 244 1HH1 ARG 29 1HH2 ARG 29 -10.848 -12.154 -8.570 245 2HH1 ARG 29 2HH2 ARG 29 -12.123 -13.040 -9.338 246 1HH2 ARG 29 1HH1 ARG 29 -14.580 -11.891 -7.177 247 2HH2 ARG 29 2HH1 ARG 29 -14.236 -12.892 -8.549 248 H ALA 30 H ALA 30 -6.912 -7.605 -4.615 249 HA ALA 30 HA ALA 30 -5.230 -8.861 -2.633 250 1HB ALA 30 1HB ALA 30 -5.057 -6.587 -4.484 251 2HB ALA 30 2HB ALA 30 -3.809 -7.729 -3.990 252 3HB ALA 30 3HB ALA 30 -4.182 -6.336 -2.975 253 H VAL 31 H VAL 31 -5.287 -8.573 -0.467 254 HA VAL 31 HA VAL 31 -6.777 -6.207 0.588 255 HB VAL 31 HB VAL 31 -6.946 -7.602 2.691 256 1HG1 VAL 31 1HG1 VAL 31 -8.404 -9.432 1.289 257 2HG1 VAL 31 2HG1 VAL 31 -8.212 -8.167 0.076 258 3HG1 VAL 31 3HG1 VAL 31 -8.957 -7.791 1.629 259 1HG2 VAL 31 1HG2 VAL 31 -6.270 -9.862 2.699 260 2HG2 VAL 31 2HG2 VAL 31 -4.939 -9.051 1.875 261 3HG2 VAL 31 3HG2 VAL 31 -6.152 -9.927 0.941 262 HA PRO 32 HA PRO 32 -3.065 -4.763 2.428 263 1HB PRO 32 2HB PRO 32 -4.074 -3.568 4.692 264 2HB PRO 32 1HB PRO 32 -4.231 -2.878 3.067 265 1HG PRO 32 2HG PRO 32 -6.295 -4.244 4.735 266 2HG PRO 32 1HG PRO 32 -6.503 -3.018 3.473 267 1HD PRO 32 2HD PRO 32 -6.953 -5.790 3.162 268 2HD PRO 32 1HD PRO 32 -6.796 -4.608 1.844 269 H LYS 33 H LYS 33 -5.128 -6.955 4.150 270 HA LYS 33 HA LYS 33 -3.456 -7.345 6.470 271 1HB LYS 33 2HB LYS 33 -5.737 -8.045 6.622 272 2HB LYS 33 1HB LYS 33 -5.617 -8.994 5.144 273 1HG LYS 33 2HG LYS 33 -3.660 -9.748 7.212 274 2HG LYS 33 1HG LYS 33 -5.341 -10.030 7.671 275 1HD LYS 33 2HD LYS 33 -5.022 -10.848 4.951 276 2HD LYS 33 1HD LYS 33 -3.721 -11.575 5.895 277 1HE LYS 33 2HE LYS 33 -5.712 -12.061 7.598 278 2HE LYS 33 1HE LYS 33 -6.676 -11.963 6.123 279 1HZ LYS 33 1HZ LYS 33 -4.516 -13.475 5.422 280 2HZ LYS 33 2HZ LYS 33 -6.073 -14.057 5.774 281 3HZ LYS 33 3HZ LYS 33 -4.884 -14.014 6.987 282 H LYS 34 H LYS 34 -3.959 -9.325 3.526 283 HA LYS 34 HA LYS 34 -1.750 -11.081 4.110 284 1HB LYS 34 2HB LYS 34 -3.061 -10.476 1.439 285 2HB LYS 34 1HB LYS 34 -2.034 -11.865 1.796 286 1HG LYS 34 2HG LYS 34 -3.839 -12.115 3.794 287 2HG LYS 34 1HG LYS 34 -4.853 -11.350 2.572 288 1HD LYS 34 2HD LYS 34 -4.033 -13.098 0.933 289 2HD LYS 34 1HD LYS 34 -3.281 -13.923 2.299 290 1HE LYS 34 2HE LYS 34 -5.321 -14.994 2.320 291 2HE LYS 34 1HE LYS 34 -5.726 -13.613 3.339 292 1HZ LYS 34 1HZ LYS 34 -6.751 -14.312 0.790 293 2HZ LYS 34 2HZ LYS 34 -6.060 -12.760 0.739 294 3HZ LYS 34 3HZ LYS 34 -7.283 -13.112 1.865 295 H ILE 35 H ILE 35 -2.075 -8.129 2.146 296 HA ILE 35 HA ILE 35 0.618 -8.262 1.126 297 HB ILE 35 HB ILE 35 -1.334 -5.974 1.434 298 1HG1 ILE 35 2HG1 ILE 35 -0.518 -7.909 -0.697 299 2HG1 ILE 35 1HG1 ILE 35 -2.112 -7.253 -0.334 300 1HG2 ILE 35 1HG2 ILE 35 1.439 -5.989 0.193 301 2HG2 ILE 35 2HG2 ILE 35 0.935 -5.066 1.608 302 3HG2 ILE 35 3HG2 ILE 35 0.272 -4.679 0.021 303 1HD1 ILE 35 1HD1 ILE 35 0.031 -6.173 -2.084 304 2HD1 ILE 35 2HD1 ILE 35 -0.857 -4.988 -1.124 305 3HD1 ILE 35 3HD1 ILE 35 -1.722 -6.046 -2.240 306 H LEU 36 H LEU 36 -0.799 -7.231 4.134 307 HA LEU 36 HA LEU 36 1.217 -5.503 5.105 308 1HB LEU 36 2HB LEU 36 -0.835 -5.938 6.384 309 2HB LEU 36 1HB LEU 36 -0.355 -7.620 6.615 310 HG LEU 36 HG LEU 36 1.770 -6.710 7.714 311 1HD1 LEU 36 1HD1 LEU 36 0.098 -4.201 7.981 312 2HD1 LEU 36 2HD1 LEU 36 1.364 -4.375 6.766 313 3HD1 LEU 36 3HD1 LEU 36 1.772 -4.441 8.480 314 1HD2 LEU 36 1HD2 LEU 36 0.677 -7.249 9.609 315 2HD2 LEU 36 2HD2 LEU 36 -0.840 -7.170 8.714 316 3HD2 LEU 36 3HD2 LEU 36 -0.234 -5.740 9.549 317 H ASP 37 H ASP 37 1.087 -9.038 4.893 318 HA ASP 37 HA ASP 37 3.647 -9.425 6.231 319 1HB ASP 37 2HB ASP 37 1.869 -11.173 4.522 320 2HB ASP 37 1HB ASP 37 3.463 -11.721 5.043 321 H LEU 38 H LEU 38 2.523 -9.009 2.917 322 HA LEU 38 HA LEU 38 4.898 -9.663 1.518 323 1HB LEU 38 2HB LEU 38 2.572 -7.836 1.001 324 2HB LEU 38 1HB LEU 38 3.967 -7.773 -0.076 325 HG LEU 38 HG LEU 38 2.882 -10.467 0.605 326 1HD1 LEU 38 1HD1 LEU 38 0.800 -9.962 -0.118 327 2HD1 LEU 38 2HD1 LEU 38 1.512 -9.703 -1.712 328 3HD1 LEU 38 3HD1 LEU 38 1.299 -8.343 -0.611 329 1HD2 LEU 38 1HD2 LEU 38 3.518 -10.861 -1.760 330 2HD2 LEU 38 2HD2 LEU 38 4.863 -10.186 -0.838 331 3HD2 LEU 38 3HD2 LEU 38 3.932 -9.154 -1.924 332 H MET 39 H MET 39 3.991 -6.779 3.331 333 HA MET 39 HA MET 39 6.267 -5.220 2.359 334 1HB MET 39 2HB MET 39 4.182 -4.816 4.502 335 2HB MET 39 1HB MET 39 5.561 -3.725 4.354 336 1HG MET 39 2HG MET 39 4.781 -3.807 1.769 337 2HG MET 39 1HG MET 39 3.224 -4.076 2.553 338 1HE MET 39 1HE MET 39 4.289 -0.243 1.370 339 2HE MET 39 2HE MET 39 3.084 -1.462 0.961 340 3HE MET 39 3HE MET 39 4.797 -1.832 0.782 341 H ASN 40 H ASN 40 5.402 -6.680 5.517 342 HA ASN 40 HA ASN 40 6.787 -7.347 7.294 343 1HB ASN 40 2HB ASN 40 7.586 -8.886 5.464 344 2HB ASN 40 1HB ASN 40 8.851 -7.711 5.101 345 1HD2 ASN 40 1HD2 ASN 40 7.587 -8.735 8.313 346 2HD2 ASN 40 2HD2 ASN 40 9.082 -9.297 8.887 347 H VAL 41 H VAL 41 6.788 -4.500 6.340 348 HA VAL 41 HA VAL 41 9.543 -3.601 6.893 349 HB VAL 41 HB VAL 41 7.041 -1.941 6.480 350 1HG1 VAL 41 1HG1 VAL 41 8.602 -0.155 5.963 351 2HG1 VAL 41 2HG1 VAL 41 9.970 -1.258 6.099 352 3HG1 VAL 41 3HG1 VAL 41 9.036 -0.834 7.533 353 1HG2 VAL 41 1HG2 VAL 41 8.979 -2.141 4.280 354 2HG2 VAL 41 2HG2 VAL 41 7.219 -2.246 4.237 355 3HG2 VAL 41 3HG2 VAL 41 8.177 -3.670 4.642 356 H ASP 42 H ASP 42 9.987 -2.085 8.658 357 HA ASP 42 HA ASP 42 8.486 -2.804 11.088 358 1HB ASP 42 2HB ASP 42 11.168 -2.150 10.496 359 2HB ASP 42 1HB ASP 42 10.554 -0.934 11.609 360 H LYS 43 H LYS 43 7.281 -1.354 12.299 361 HA LYS 43 HA LYS 43 6.317 0.698 12.931 362 1HB LYS 43 2HB LYS 43 7.425 2.629 12.459 363 2HB LYS 43 1HB LYS 43 8.656 1.549 11.815 364 1HG LYS 43 2HG LYS 43 7.128 1.742 9.620 365 2HG LYS 43 1HG LYS 43 6.704 3.284 10.365 366 1HD LYS 43 2HD LYS 43 8.811 4.150 10.095 367 2HD LYS 43 1HD LYS 43 9.595 2.586 10.324 368 1HE LYS 43 2HE LYS 43 8.301 2.093 8.006 369 2HE LYS 43 1HE LYS 43 8.545 3.832 7.837 370 1HZ LYS 43 1HZ LYS 43 10.740 3.581 7.599 371 2HZ LYS 43 2HZ LYS 43 10.378 1.963 7.230 372 3HZ LYS 43 3HZ LYS 43 10.851 2.393 8.804 373 H LEU 44 H LEU 44 6.059 -0.880 9.977 374 HA LEU 44 HA LEU 44 3.920 0.880 8.944 375 1HB LEU 44 2HB LEU 44 5.283 -1.606 7.916 376 2HB LEU 44 1HB LEU 44 3.790 -1.023 7.183 377 HG LEU 44 HG LEU 44 6.389 0.512 7.459 378 1HD1 LEU 44 1HD1 LEU 44 6.816 -0.289 5.401 379 2HD1 LEU 44 2HD1 LEU 44 5.318 0.434 4.814 380 3HD1 LEU 44 3HD1 LEU 44 5.315 -1.214 5.443 381 1HD2 LEU 44 1HD2 LEU 44 3.587 1.348 6.785 382 2HD2 LEU 44 2HD2 LEU 44 4.929 2.132 5.953 383 3HD2 LEU 44 3HD2 LEU 44 4.816 2.210 7.711 384 H THR 45 H THR 45 1.752 0.416 9.125 385 HA THR 45 HA THR 45 1.055 -2.077 10.623 386 HB THR 45 HB THR 45 -1.105 -0.603 11.073 387 HG1 THR 45 1HG THR 45 0.859 1.405 10.927 388 1HG2 THR 45 1HG2 THR 45 -0.274 -0.651 13.162 389 2HG2 THR 45 2HG2 THR 45 0.986 0.508 12.740 390 3HG2 THR 45 3HG2 THR 45 1.249 -1.216 12.477 391 H ARG 46 H ARG 46 -1.161 -2.934 10.083 392 HA ARG 46 HA ARG 46 -1.454 -3.099 7.182 393 1HB ARG 46 2HB ARG 46 -1.848 -5.118 8.427 394 2HB ARG 46 1HB ARG 46 -2.997 -4.307 9.491 395 1HG ARG 46 2HG ARG 46 -4.433 -3.863 7.457 396 2HG ARG 46 1HG ARG 46 -3.343 -4.905 6.542 397 1HD ARG 46 2HD ARG 46 -4.961 -6.440 7.199 398 2HD ARG 46 1HD ARG 46 -3.799 -6.598 8.516 399 HE ARG 46 HE ARG 46 -5.422 -5.694 9.961 400 1HH1 ARG 46 1HH1 ARG 46 -6.221 -5.177 6.646 401 2HH1 ARG 46 2HH1 ARG 46 -7.682 -4.316 6.997 402 1HH2 ARG 46 1HH2 ARG 46 -7.264 -4.463 10.435 403 2HH2 ARG 46 2HH2 ARG 46 -8.272 -3.911 9.139 404 H GLU 47 H GLU 47 -3.088 -1.479 9.842 405 HA GLU 47 HA GLU 47 -5.445 -0.734 8.350 406 1HB GLU 47 2HB GLU 47 -4.311 -0.213 10.988 407 2HB GLU 47 1HB GLU 47 -5.063 1.227 10.300 408 1HG GLU 47 2HG GLU 47 -7.166 0.184 10.100 409 2HG GLU 47 1HG GLU 47 -6.475 -1.434 10.219 410 H ASN 48 H ASN 48 -2.200 0.491 8.504 411 HA ASN 48 HA ASN 48 -2.791 3.160 7.547 412 1HB ASN 48 2HB ASN 48 -0.274 1.485 7.625 413 2HB ASN 48 1HB ASN 48 -0.302 3.107 6.930 414 1HD2 ASN 48 1HD2 ASN 48 0.952 4.127 8.606 415 2HD2 ASN 48 2HD2 ASN 48 0.388 4.283 10.199 416 H VAL 49 H VAL 49 -2.001 0.074 5.990 417 HA VAL 49 HA VAL 49 -1.917 1.306 3.326 418 HB VAL 49 HB VAL 49 -1.953 -1.612 4.165 419 1HG1 VAL 49 1HG1 VAL 49 -1.349 -0.276 1.509 420 2HG1 VAL 49 2HG1 VAL 49 -2.727 -1.318 1.863 421 3HG1 VAL 49 3HG1 VAL 49 -1.094 -1.986 1.855 422 1HG2 VAL 49 1HG2 VAL 49 0.305 0.269 3.405 423 2HG2 VAL 49 2HG2 VAL 49 0.486 -1.473 3.619 424 3HG2 VAL 49 3HG2 VAL 49 0.034 -0.459 4.989 425 H ALA 50 H ALA 50 -4.240 -0.288 5.391 426 HA ALA 50 HA ALA 50 -6.152 -0.924 3.324 427 1HB ALA 50 1HB ALA 50 -7.706 -1.315 5.132 428 2HB ALA 50 2HB ALA 50 -6.728 -0.358 6.245 429 3HB ALA 50 3HB ALA 50 -6.128 -1.907 5.654 430 H SER 51 H SER 51 -5.244 1.989 4.935 431 HA SER 51 HA SER 51 -7.737 3.418 4.559 432 1HB SER 51 2HB SER 51 -4.897 4.276 5.120 433 2HB SER 51 1HB SER 51 -6.181 5.451 4.855 434 HG SER 51 HG SER 51 -7.267 3.895 6.515 435 H HIS 52 H HIS 52 -4.619 3.434 2.797 436 HA HIS 52 HA HIS 52 -5.341 5.236 0.753 437 1HB HIS 52 2HB HIS 52 -3.057 4.470 0.922 438 2HB HIS 52 1HB HIS 52 -3.547 2.796 0.667 439 HD1 HIS 52 1HD HIS 52 -3.887 2.014 -1.727 440 HD2 HIS 52 2HD HIS 52 -3.296 6.132 -1.458 441 HE1 HIS 52 1HE HIS 52 -3.614 2.855 -4.100 442 H LEU 53 H LEU 53 -6.230 1.891 1.251 443 HA LEU 53 HA LEU 53 -7.268 1.462 -1.428 444 1HB LEU 53 2HB LEU 53 -6.599 -0.414 0.048 445 2HB LEU 53 1HB LEU 53 -7.896 0.013 1.164 446 HG LEU 53 HG LEU 53 -9.368 -0.166 -1.054 447 1HD1 LEU 53 1HD1 LEU 53 -6.804 -1.567 -1.647 448 2HD1 LEU 53 2HD1 LEU 53 -7.928 -0.766 -2.746 449 3HD1 LEU 53 3HD1 LEU 53 -8.293 -2.379 -2.132 450 1HD2 LEU 53 1HD2 LEU 53 -10.046 -2.320 -0.308 451 2HD2 LEU 53 2HD2 LEU 53 -9.425 -1.522 1.137 452 3HD2 LEU 53 3HD2 LEU 53 -8.431 -2.706 0.290 453 H GLN 54 H GLN 54 -8.605 2.587 1.647 454 HA GLN 54 HA GLN 54 -11.362 2.512 0.887 455 1HB GLN 54 2HB GLN 54 -9.758 3.989 2.942 456 2HB GLN 54 1HB GLN 54 -11.405 4.531 2.614 457 1HG GLN 54 2HG GLN 54 -12.284 2.315 3.100 458 2HG GLN 54 1HG GLN 54 -10.652 1.673 3.288 459 1HE2 GLN 54 1HE2 GLN 54 -12.319 4.618 4.568 460 2HE2 GLN 54 2HE2 GLN 54 -11.887 4.331 6.185 461 H LYS 55 H LYS 55 -8.804 4.905 0.385 462 HA LYS 55 HA LYS 55 -10.392 7.065 -0.524 463 1HB LYS 55 2HB LYS 55 -7.678 6.245 -1.605 464 2HB LYS 55 1HB LYS 55 -8.391 7.858 -1.661 465 1HG LYS 55 2HG LYS 55 -8.505 7.733 0.896 466 2HG LYS 55 1HG LYS 55 -7.448 6.327 0.769 467 1HD LYS 55 2HD LYS 55 -5.994 8.191 1.089 468 2HD LYS 55 1HD LYS 55 -5.892 7.800 -0.628 469 1HE LYS 55 2HE LYS 55 -6.148 10.190 -0.455 470 2HE LYS 55 1HE LYS 55 -7.680 9.539 -1.039 471 1HZ LYS 55 1HZ LYS 55 -7.916 9.439 1.669 472 2HZ LYS 55 2HZ LYS 55 -8.592 10.624 0.656 473 3HZ LYS 55 3HZ LYS 55 -7.095 10.901 1.411 474 H PHE 56 H PHE 56 -9.368 4.110 -2.149 475 HA PHE 56 HA PHE 56 -10.178 4.935 -4.799 476 1HB PHE 56 2HB PHE 56 -8.643 3.033 -4.441 477 2HB PHE 56 1HB PHE 56 -9.925 2.146 -3.617 478 HD1 PHE 56 1HD PHE 56 -10.980 0.529 -4.908 479 HD2 PHE 56 2HD PHE 56 -9.570 4.120 -6.798 480 HE1 PHE 56 1HE PHE 56 -11.822 -0.290 -7.093 481 HE2 PHE 56 2HE PHE 56 -10.412 3.301 -8.983 482 HZ PHE 56 HZ PHE 56 -11.538 1.096 -9.130 483 H ARG 57 H ARG 57 -11.785 2.948 -2.280 484 HA ARG 57 HA ARG 57 -14.198 2.460 -3.665 485 1HB ARG 57 2HB ARG 57 -13.610 2.902 -0.729 486 2HB ARG 57 1HB ARG 57 -15.236 2.534 -1.303 487 1HG ARG 57 2HG ARG 57 -14.577 0.414 -2.146 488 2HG ARG 57 1HG ARG 57 -12.864 0.822 -2.050 489 1HD ARG 57 2HD ARG 57 -13.058 -0.447 -0.129 490 2HD ARG 57 1HD ARG 57 -13.455 1.141 0.530 491 HE ARG 57 HE ARG 57 -15.624 0.328 0.933 492 1HH1 ARG 57 1HH1 ARG 57 -14.070 -2.367 0.092 493 2HH1 ARG 57 2HH1 ARG 57 -15.346 -3.111 -0.812 494 1HH2 ARG 57 1HH2 ARG 57 -17.284 -0.240 -0.946 495 2HH2 ARG 57 2HH2 ARG 57 -17.165 -1.908 -1.400 496 H VAL 58 H VAL 58 -13.092 5.299 -1.876 497 HA VAL 58 HA VAL 58 -15.546 6.785 -2.041 498 HB VAL 58 HB VAL 58 -12.655 7.699 -1.861 499 1HG1 VAL 58 1HG1 VAL 58 -13.387 9.803 -2.158 500 2HG1 VAL 58 2HG1 VAL 58 -14.512 9.603 -0.816 501 3HG1 VAL 58 3HG1 VAL 58 -15.015 9.196 -2.456 502 1HG2 VAL 58 1HG2 VAL 58 -13.125 7.972 0.501 503 2HG2 VAL 58 2HG2 VAL 58 -13.596 6.336 0.041 504 3HG2 VAL 58 3HG2 VAL 58 -14.827 7.582 0.254 505 H ALA 59 H ALA 59 -12.695 6.503 -4.128 506 HA ALA 59 HA ALA 59 -13.642 8.392 -6.107 507 1HB ALA 59 1HB ALA 59 -11.247 7.110 -5.625 508 2HB ALA 59 2HB ALA 59 -11.626 8.019 -7.089 509 3HB ALA 59 3HB ALA 59 -11.841 6.269 -7.057 510 H LEU 60 H LEU 60 -14.531 5.232 -5.258 511 HA LEU 60 HA LEU 60 -15.461 4.494 -7.962 512 1HB LEU 60 2HB LEU 60 -15.186 3.124 -5.322 513 2HB LEU 60 1HB LEU 60 -16.417 2.520 -6.426 514 HG LEU 60 HG LEU 60 -13.517 2.950 -7.191 515 1HD1 LEU 60 1HD1 LEU 60 -14.989 0.616 -6.031 516 2HD1 LEU 60 2HD1 LEU 60 -13.322 1.130 -5.771 517 3HD1 LEU 60 3HD1 LEU 60 -13.767 0.300 -7.262 518 1HD2 LEU 60 1HD2 LEU 60 -14.945 3.051 -9.122 519 2HD2 LEU 60 2HD2 LEU 60 -15.910 1.687 -8.557 520 3HD2 LEU 60 3HD2 LEU 60 -14.252 1.430 -9.102 521 H LYS 61 H LYS 61 -16.610 6.149 -5.210 522 HA LYS 61 HA LYS 61 -19.392 5.413 -5.342 523 1HB LYS 61 2HB LYS 61 -18.398 6.517 -3.366 524 2HB LYS 61 1HB LYS 61 -18.121 7.971 -4.324 525 1HG LYS 61 2HG LYS 61 -20.435 8.403 -4.554 526 2HG LYS 61 1HG LYS 61 -20.874 6.762 -4.076 527 1HD LYS 61 2HD LYS 61 -20.351 7.157 -1.804 528 2HD LYS 61 1HD LYS 61 -19.419 8.607 -2.183 529 1HE LYS 61 2HE LYS 61 -21.544 9.682 -2.989 530 2HE LYS 61 1HE LYS 61 -22.423 8.270 -2.401 531 1HZ LYS 61 1HZ LYS 61 -21.225 10.448 -0.925 532 2HZ LYS 61 2HZ LYS 61 -20.924 8.907 -0.275 533 3HZ LYS 61 3HZ LYS 61 -22.521 9.435 -0.508 534 H LYS 62 H LYS 62 -17.436 7.863 -6.966 535 HA LYS 62 HA LYS 62 -19.343 9.554 -8.056 536 1HB LYS 62 2HB LYS 62 -17.867 9.629 -10.115 537 2HB LYS 62 1HB LYS 62 -17.017 9.891 -8.591 538 1HG LYS 62 2HG LYS 62 -15.636 8.317 -9.615 539 2HG LYS 62 1HG LYS 62 -16.693 7.279 -8.657 540 1HD LYS 62 2HD LYS 62 -17.492 6.288 -10.512 541 2HD LYS 62 1HD LYS 62 -17.922 7.851 -11.209 542 1HE LYS 62 2HE LYS 62 -15.376 8.068 -11.712 543 2HE LYS 62 1HE LYS 62 -15.339 6.322 -11.465 544 1HZ LYS 62 1HZ LYS 62 -17.401 7.449 -13.218 545 2HZ LYS 62 2HZ LYS 62 -16.629 5.937 -13.287 546 3HZ LYS 62 3HZ LYS 62 -15.816 7.334 -13.810 547 H VAL 63 H VAL 63 -18.831 6.175 -8.778 548 HA VAL 63 HA VAL 63 -20.192 6.004 -11.269 549 HB VAL 63 HB VAL 63 -18.870 4.164 -10.143 550 1HG1 VAL 63 1HG1 VAL 63 -19.842 2.880 -8.403 551 2HG1 VAL 63 2HG1 VAL 63 -21.435 3.594 -8.654 552 3HG1 VAL 63 3HG1 VAL 63 -20.144 4.552 -7.931 553 1HG2 VAL 63 1HG2 VAL 63 -20.311 3.714 -12.092 554 2HG2 VAL 63 2HG2 VAL 63 -21.700 3.502 -11.025 555 3HG2 VAL 63 3HG2 VAL 63 -20.358 2.359 -10.963 556 H SER 64 H SER 64 -22.379 5.787 -11.778 557 HA SER 64 HA SER 64 -24.281 6.884 -9.886 558 1HB SER 64 2HB SER 64 -24.180 6.482 -12.670 559 2HB SER 64 1HB SER 64 -25.526 5.496 -12.106 560 HG SER 64 HG SER 64 -25.454 8.109 -12.445 Start of MODEL 8 1 1H THR 1 1HT THR 1 28.240 9.989 2.759 2 2H THR 1 2HT THR 1 27.034 10.161 1.574 3 3H THR 1 3HT THR 1 27.341 8.638 2.263 4 HA THR 1 HA THR 1 26.628 9.504 4.441 5 HB THR 1 HB THR 1 25.282 11.793 3.128 6 HG1 THR 1 1HG THR 1 27.347 12.980 3.582 7 1HG2 THR 1 1HG2 THR 1 26.767 11.356 5.732 8 2HG2 THR 1 2HG2 THR 1 25.018 11.380 5.506 9 3HG2 THR 1 3HG2 THR 1 25.956 12.859 5.292 10 H ALA 2 H ALA 2 25.583 8.958 1.265 11 HA ALA 2 HA ALA 2 23.617 8.016 0.398 12 1HB ALA 2 1HB ALA 2 22.182 6.970 2.446 13 2HB ALA 2 2HB ALA 2 23.758 7.115 3.222 14 3HB ALA 2 3HB ALA 2 23.586 6.166 1.746 15 H GLN 3 H GLN 3 21.040 7.999 1.031 16 HA GLN 3 HA GLN 3 20.432 10.867 1.584 17 1HB GLN 3 2HB GLN 3 19.683 9.314 -0.544 18 2HB GLN 3 1HB GLN 3 18.287 9.136 0.521 19 1HG GLN 3 2HG GLN 3 18.902 11.852 0.669 20 2HG GLN 3 1HG GLN 3 19.138 11.452 -1.033 21 1HE2 GLN 3 1HE2 GLN 3 16.809 12.674 0.876 22 2HE2 GLN 3 2HE2 GLN 3 15.424 11.998 0.164 23 H LYS 4 H LYS 4 19.180 11.396 3.338 24 HA LYS 4 HA LYS 4 18.784 9.629 5.488 25 1HB LYS 4 2HB LYS 4 17.388 12.186 4.693 26 2HB LYS 4 1HB LYS 4 16.943 11.315 6.161 27 1HG LYS 4 2HG LYS 4 19.784 12.148 5.523 28 2HG LYS 4 1HG LYS 4 18.683 13.126 6.494 29 1HD LYS 4 2HD LYS 4 19.216 11.901 8.302 30 2HD LYS 4 1HD LYS 4 18.559 10.471 7.505 31 1HE LYS 4 2HE LYS 4 20.625 9.729 6.822 32 2HE LYS 4 1HE LYS 4 21.271 11.362 6.655 33 1HZ LYS 4 1HZ LYS 4 21.429 9.594 8.867 34 2HZ LYS 4 2HZ LYS 4 20.695 11.054 9.329 35 3HZ LYS 4 3HZ LYS 4 22.235 11.064 8.612 36 H LYS 5 H LYS 5 16.327 9.322 6.350 37 HA LYS 5 HA LYS 5 14.926 7.864 4.148 38 1HB LYS 5 2HB LYS 5 15.569 6.326 5.865 39 2HB LYS 5 1HB LYS 5 15.017 7.413 7.139 40 1HG LYS 5 2HG LYS 5 12.745 7.019 6.665 41 2HG LYS 5 1HG LYS 5 13.096 6.394 5.053 42 1HD LYS 5 2HD LYS 5 13.909 5.031 7.636 43 2HD LYS 5 1HD LYS 5 12.497 4.592 6.676 44 1HE LYS 5 2HE LYS 5 14.511 4.629 4.788 45 2HE LYS 5 1HE LYS 5 15.332 3.986 6.211 46 1HZ LYS 5 1HZ LYS 5 14.217 2.086 6.059 47 2HZ LYS 5 2HZ LYS 5 13.729 2.584 4.510 48 3HZ LYS 5 3HZ LYS 5 12.726 2.867 5.852 49 HA PRO 6 HA PRO 6 12.021 11.231 5.008 50 1HB PRO 6 2HB PRO 6 10.906 11.162 2.495 51 2HB PRO 6 1HB PRO 6 12.382 12.060 2.888 52 1HG PRO 6 2HG PRO 6 12.088 9.491 1.401 53 2HG PRO 6 1HG PRO 6 13.363 10.716 1.284 54 1HD PRO 6 2HD PRO 6 13.556 8.257 2.668 55 2HD PRO 6 1HD PRO 6 14.672 9.630 2.822 56 H ARG 7 H ARG 7 9.713 11.162 5.311 57 HA ARG 7 HA ARG 7 8.524 8.832 6.185 58 1HB ARG 7 2HB ARG 7 7.462 11.382 5.074 59 2HB ARG 7 1HB ARG 7 6.327 10.037 5.201 60 1HG ARG 7 2HG ARG 7 8.090 10.941 7.491 61 2HG ARG 7 1HG ARG 7 6.440 11.517 7.253 62 1HD ARG 7 2HD ARG 7 7.395 8.759 7.962 63 2HD ARG 7 1HD ARG 7 6.103 9.710 8.693 64 HE ARG 7 HE ARG 7 5.888 8.323 6.055 65 1HH1 ARG 7 1HH2 ARG 7 4.310 10.750 7.635 66 2HH1 ARG 7 2HH2 ARG 7 2.790 9.934 7.799 67 1HH2 ARG 7 1HH1 ARG 7 4.030 6.861 6.780 68 2HH2 ARG 7 2HH1 ARG 7 2.632 7.732 7.314 69 H VAL 8 H VAL 8 8.761 6.953 4.967 70 HA VAL 8 HA VAL 8 8.090 6.995 2.097 71 HB VAL 8 HB VAL 8 9.343 5.031 3.977 72 1HG1 VAL 8 1HG1 VAL 8 7.753 3.504 3.148 73 2HG1 VAL 8 2HG1 VAL 8 9.084 3.335 2.006 74 3HG1 VAL 8 3HG1 VAL 8 7.676 4.304 1.577 75 1HG2 VAL 8 1HG2 VAL 8 10.913 6.168 2.671 76 2HG2 VAL 8 2HG2 VAL 8 9.853 6.212 1.260 77 3HG2 VAL 8 3HG2 VAL 8 10.649 4.706 1.719 78 H LEU 9 H LEU 9 5.838 7.464 2.158 79 HA LEU 9 HA LEU 9 4.106 5.481 3.551 80 1HB LEU 9 2HB LEU 9 3.730 8.009 3.766 81 2HB LEU 9 1HB LEU 9 3.210 7.970 2.080 82 HG LEU 9 HG LEU 9 1.707 5.956 2.969 83 1HD1 LEU 9 1HD1 LEU 9 1.556 7.709 5.386 84 2HD1 LEU 9 2HD1 LEU 9 2.860 6.524 5.311 85 3HD1 LEU 9 3HD1 LEU 9 1.181 5.994 5.219 86 1HD2 LEU 9 1HD2 LEU 9 0.495 7.666 1.998 87 2HD2 LEU 9 2HD2 LEU 9 1.305 8.915 2.943 88 3HD2 LEU 9 3HD2 LEU 9 0.041 7.932 3.682 89 H TRP 10 H TRP 10 4.753 6.909 0.379 90 HA TRP 10 HA TRP 10 4.129 4.451 -1.009 91 1HB TRP 10 2HB TRP 10 2.123 6.712 -1.033 92 2HB TRP 10 1HB TRP 10 2.258 5.597 -2.391 93 HD1 TRP 10 HD TRP 10 0.037 5.978 0.230 94 HE1 TRP 10 1HE TRP 10 -0.820 3.762 1.227 95 HE3 TRP 10 3HE TRP 10 3.580 2.768 -1.572 96 HZ2 TRP 10 2HZ TRP 10 -0.098 0.995 1.261 97 HZ3 TRP 10 3HZ TRP 10 3.470 0.351 -1.041 98 HH2 TRP 10 HH TRP 10 1.637 -0.539 0.371 99 H THR 11 H THR 11 6.416 5.361 -1.400 100 HA THR 11 HA THR 11 6.398 7.490 -3.490 101 HB THR 11 HB THR 11 8.916 7.443 -3.085 102 HG1 THR 11 1HG THR 11 9.092 5.448 -2.115 103 1HG2 THR 11 1HG2 THR 11 8.440 8.344 -0.582 104 2HG2 THR 11 2HG2 THR 11 6.792 8.322 -1.209 105 3HG2 THR 11 3HG2 THR 11 8.035 9.268 -2.027 106 H HIS 12 H HIS 12 8.280 7.070 -5.169 107 HA HIS 12 HA HIS 12 7.564 4.945 -6.841 108 1HB HIS 12 2HB HIS 12 9.683 6.895 -6.727 109 2HB HIS 12 1HB HIS 12 10.346 5.337 -7.218 110 HD1 HIS 12 1HD HIS 12 10.364 5.191 -9.699 111 HD2 HIS 12 2HD HIS 12 6.961 7.164 -8.317 112 HE1 HIS 12 1HE HIS 12 8.976 5.744 -11.744 113 H GLU 13 H GLU 13 9.672 4.915 -4.045 114 HA GLU 13 HA GLU 13 10.889 2.344 -4.626 115 1HB GLU 13 2HB GLU 13 11.743 4.173 -3.019 116 2HB GLU 13 1HB GLU 13 10.555 3.548 -1.876 117 1HG GLU 13 2HG GLU 13 11.605 1.227 -2.385 118 2HG GLU 13 1HG GLU 13 12.959 2.151 -3.038 119 H LEU 14 H LEU 14 8.415 3.342 -2.235 120 HA LEU 14 HA LEU 14 7.708 0.700 -1.465 121 1HB LEU 14 2HB LEU 14 6.438 3.385 -1.242 122 2HB LEU 14 1HB LEU 14 5.390 1.989 -1.014 123 HG LEU 14 HG LEU 14 7.902 2.667 0.532 124 1HD1 LEU 14 1HD1 LEU 14 6.294 2.555 2.450 125 2HD1 LEU 14 2HD1 LEU 14 4.987 2.310 1.293 126 3HD1 LEU 14 3HD1 LEU 14 5.891 3.824 1.293 127 1HD2 LEU 14 1HD2 LEU 14 6.659 0.087 -0.024 128 2HD2 LEU 14 2HD2 LEU 14 6.677 0.443 1.702 129 3HD2 LEU 14 3HD2 LEU 14 8.185 0.436 0.787 130 H HIS 15 H HIS 15 6.982 2.460 -4.338 131 HA HIS 15 HA HIS 15 4.550 1.002 -4.994 132 1HB HIS 15 2HB HIS 15 5.248 3.313 -5.872 133 2HB HIS 15 1HB HIS 15 6.339 2.447 -6.954 134 HD1 HIS 15 1HD HIS 15 3.003 0.993 -6.044 135 HD2 HIS 15 2HD HIS 15 4.743 3.010 -9.251 136 HE1 HIS 15 1HE HIS 15 1.376 0.805 -7.976 137 H ASN 16 H ASN 16 7.977 0.496 -5.463 138 HA ASN 16 HA ASN 16 7.673 -1.456 -7.591 139 1HB ASN 16 2HB ASN 16 9.937 -0.703 -5.740 140 2HB ASN 16 1HB ASN 16 10.075 -2.060 -6.858 141 1HD2 ASN 16 1HD2 ASN 16 11.117 -1.414 -8.742 142 2HD2 ASN 16 2HD2 ASN 16 10.922 0.093 -9.500 143 H LYS 17 H LYS 17 8.137 -1.671 -4.059 144 HA LYS 17 HA LYS 17 8.019 -4.591 -4.112 145 1HB LYS 17 2HB LYS 17 7.623 -2.789 -1.712 146 2HB LYS 17 1HB LYS 17 8.186 -4.461 -1.723 147 1HG LYS 17 2HG LYS 17 10.230 -3.784 -2.907 148 2HG LYS 17 1HG LYS 17 9.665 -2.114 -2.949 149 1HD LYS 17 2HD LYS 17 9.807 -1.904 -0.574 150 2HD LYS 17 1HD LYS 17 10.010 -3.644 -0.364 151 1HE LYS 17 2HE LYS 17 12.039 -2.635 -2.149 152 2HE LYS 17 1HE LYS 17 12.049 -1.708 -0.649 153 1HZ LYS 17 1HZ LYS 17 12.067 -3.843 0.561 154 2HZ LYS 17 2HZ LYS 17 13.452 -3.607 -0.395 155 3HZ LYS 17 3HZ LYS 17 12.224 -4.658 -0.919 156 H PHE 18 H PHE 18 5.808 -1.920 -3.545 157 HA PHE 18 HA PHE 18 3.624 -3.617 -2.639 158 1HB PHE 18 2HB PHE 18 3.874 -1.159 -2.086 159 2HB PHE 18 1HB PHE 18 3.452 -0.808 -3.762 160 HD1 PHE 18 1HD PHE 18 1.199 -0.672 -4.413 161 HD2 PHE 18 2HD PHE 18 2.229 -2.648 -0.742 162 HE1 PHE 18 1HE PHE 18 -1.207 -0.887 -3.854 163 HE2 PHE 18 2HE PHE 18 -0.177 -2.863 -0.182 164 HZ PHE 18 HZ PHE 18 -1.896 -1.984 -1.739 165 H LEU 19 H LEU 19 4.886 -2.592 -5.722 166 HA LEU 19 HA LEU 19 2.414 -3.146 -7.178 167 1HB LEU 19 2HB LEU 19 5.223 -2.418 -7.914 168 2HB LEU 19 1HB LEU 19 4.204 -3.164 -9.145 169 HG LEU 19 HG LEU 19 3.375 -0.748 -7.515 170 1HD1 LEU 19 1HD1 LEU 19 3.686 0.181 -10.040 171 2HD1 LEU 19 2HD1 LEU 19 4.968 -1.029 -10.008 172 3HD1 LEU 19 3HD1 LEU 19 4.956 0.276 -8.821 173 1HD2 LEU 19 1HD2 LEU 19 1.914 -2.571 -9.074 174 2HD2 LEU 19 2HD2 LEU 19 2.129 -1.161 -10.111 175 3HD2 LEU 19 3HD2 LEU 19 1.370 -0.985 -8.529 176 H ALA 20 H ALA 20 5.426 -4.892 -6.476 177 HA ALA 20 HA ALA 20 4.655 -7.161 -8.145 178 1HB ALA 20 1HB ALA 20 6.554 -8.067 -6.303 179 2HB ALA 20 2HB ALA 20 6.965 -6.368 -6.546 180 3HB ALA 20 3HB ALA 20 6.888 -7.463 -7.927 181 H ALA 21 H ALA 21 4.156 -6.139 -4.854 182 HA ALA 21 HA ALA 21 3.374 -8.777 -3.886 183 1HB ALA 21 1HB ALA 21 2.467 -6.208 -2.613 184 2HB ALA 21 2HB ALA 21 4.170 -6.662 -2.533 185 3HB ALA 21 3HB ALA 21 2.941 -7.722 -1.842 186 H VAL 22 H VAL 22 1.668 -5.854 -5.002 187 HA VAL 22 HA VAL 22 -0.983 -6.926 -4.611 188 HB VAL 22 HB VAL 22 -0.086 -4.873 -6.657 189 1HG1 VAL 22 1HG1 VAL 22 -2.503 -4.059 -5.838 190 2HG1 VAL 22 2HG1 VAL 22 -2.691 -5.787 -5.539 191 3HG1 VAL 22 3HG1 VAL 22 -2.303 -5.211 -7.159 192 1HG2 VAL 22 1HG2 VAL 22 0.441 -4.684 -4.009 193 2HG2 VAL 22 2HG2 VAL 22 -1.198 -4.031 -4.042 194 3HG2 VAL 22 3HG2 VAL 22 0.068 -3.289 -5.022 195 H ASP 23 H ASP 23 1.189 -6.732 -7.400 196 HA ASP 23 HA ASP 23 -0.510 -7.981 -9.308 197 1HB ASP 23 2HB ASP 23 1.792 -6.803 -9.590 198 2HB ASP 23 1HB ASP 23 2.469 -8.388 -9.246 199 H HIS 24 H HIS 24 1.862 -9.334 -7.043 200 HA HIS 24 HA HIS 24 1.701 -12.044 -7.873 201 1HB HIS 24 2HB HIS 24 3.352 -11.093 -6.223 202 2HB HIS 24 1HB HIS 24 2.058 -11.073 -5.024 203 HD1 HIS 24 1HD HIS 24 3.357 -12.885 -3.615 204 HD2 HIS 24 2HD HIS 24 2.180 -14.164 -7.404 205 HE1 HIS 24 1HE HIS 24 3.613 -15.404 -3.632 206 H LEU 25 H LEU 25 -0.570 -10.083 -6.106 207 HA LEU 25 HA LEU 25 -2.168 -12.533 -5.481 208 1HB LEU 25 2HB LEU 25 -2.618 -9.774 -4.341 209 2HB LEU 25 1HB LEU 25 -3.201 -11.316 -3.716 210 HG LEU 25 HG LEU 25 -0.248 -10.955 -3.990 211 1HD1 LEU 25 1HD1 LEU 25 -1.878 -9.103 -2.566 212 2HD1 LEU 25 2HD1 LEU 25 -0.119 -9.225 -2.562 213 3HD1 LEU 25 3HD1 LEU 25 -1.068 -10.119 -1.375 214 1HD2 LEU 25 1HD2 LEU 25 -0.178 -12.594 -2.345 215 2HD2 LEU 25 2HD2 LEU 25 -1.707 -13.001 -3.123 216 3HD2 LEU 25 3HD2 LEU 25 -1.700 -12.078 -1.621 217 H GLY 26 H GLY 26 -1.969 -10.027 -7.695 218 1HA GLY 26 2HA GLY 26 -3.515 -9.662 -9.484 219 2HA GLY 26 1HA GLY 26 -4.752 -10.515 -8.555 220 H VAL 27 H VAL 27 -3.646 -7.466 -9.478 221 HA VAL 27 HA VAL 27 -4.227 -5.802 -7.287 222 HB VAL 27 HB VAL 27 -3.256 -5.038 -9.458 223 1HG1 VAL 27 1HG1 VAL 27 -5.808 -6.065 -10.405 224 2HG1 VAL 27 2HG1 VAL 27 -4.366 -5.641 -11.327 225 3HG1 VAL 27 3HG1 VAL 27 -5.554 -4.400 -10.927 226 1HG2 VAL 27 1HG2 VAL 27 -4.804 -2.940 -9.603 227 2HG2 VAL 27 2HG2 VAL 27 -3.952 -3.254 -8.091 228 3HG2 VAL 27 3HG2 VAL 27 -5.658 -3.678 -8.248 229 H GLU 28 H GLU 28 -6.376 -7.723 -9.173 230 HA GLU 28 HA GLU 28 -8.762 -6.135 -8.584 231 1HB GLU 28 2HB GLU 28 -9.977 -8.085 -9.542 232 2HB GLU 28 1HB GLU 28 -8.693 -7.506 -10.606 233 1HG GLU 28 2HG GLU 28 -7.216 -9.281 -9.914 234 2HG GLU 28 1HG GLU 28 -8.325 -9.778 -8.636 235 H ARG 29 H ARG 29 -7.229 -9.041 -7.227 236 HA ARG 29 HA ARG 29 -9.277 -8.963 -5.045 237 1HB ARG 29 2HB ARG 29 -7.851 -11.227 -6.401 238 2HB ARG 29 1HB ARG 29 -8.359 -11.415 -4.721 239 1HG ARG 29 2HG ARG 29 -10.554 -10.249 -6.046 240 2HG ARG 29 1HG ARG 29 -9.966 -11.513 -7.127 241 1HD ARG 29 2HD ARG 29 -10.747 -13.137 -5.774 242 2HD ARG 29 1HD ARG 29 -9.957 -12.420 -4.370 243 HE ARG 29 HE ARG 29 -12.163 -11.844 -3.769 244 1HH1 ARG 29 1HH2 ARG 29 -13.342 -12.912 -6.371 245 2HH1 ARG 29 2HH2 ARG 29 -14.101 -11.490 -7.002 246 1HH2 ARG 29 1HH1 ARG 29 -12.389 -9.323 -4.905 247 2HH2 ARG 29 2HH1 ARG 29 -13.562 -9.457 -6.173 248 H ALA 30 H ALA 30 -6.411 -7.732 -5.493 249 HA ALA 30 HA ALA 30 -4.869 -8.945 -3.331 250 1HB ALA 30 1HB ALA 30 -3.217 -7.276 -3.814 251 2HB ALA 30 2HB ALA 30 -4.396 -6.259 -4.640 252 3HB ALA 30 3HB ALA 30 -3.885 -7.784 -5.364 253 H VAL 31 H VAL 31 -4.800 -8.299 -1.217 254 HA VAL 31 HA VAL 31 -6.390 -5.872 -0.482 255 HB VAL 31 HB VAL 31 -6.586 -7.169 1.781 256 1HG1 VAL 31 1HG1 VAL 31 -8.221 -8.648 -0.148 257 2HG1 VAL 31 2HG1 VAL 31 -8.218 -6.910 -0.449 258 3HG1 VAL 31 3HG1 VAL 31 -8.721 -7.532 1.123 259 1HG2 VAL 31 1HG2 VAL 31 -6.105 -9.415 1.810 260 2HG2 VAL 31 2HG2 VAL 31 -4.945 -8.941 0.569 261 3HG2 VAL 31 3HG2 VAL 31 -6.502 -9.627 0.106 262 HA PRO 32 HA PRO 32 -2.778 -4.395 1.518 263 1HB PRO 32 2HB PRO 32 -3.899 -3.023 3.625 264 2HB PRO 32 1HB PRO 32 -3.923 -2.440 1.951 265 1HG PRO 32 2HG PRO 32 -6.138 -3.640 3.554 266 2HG PRO 32 1HG PRO 32 -6.222 -2.491 2.210 267 1HD PRO 32 2HD PRO 32 -6.743 -5.257 2.032 268 2HD PRO 32 1HD PRO 32 -6.441 -4.169 0.659 269 H LYS 33 H LYS 33 -5.076 -6.292 3.343 270 HA LYS 33 HA LYS 33 -3.498 -6.615 5.730 271 1HB LYS 33 2HB LYS 33 -5.826 -7.124 5.873 272 2HB LYS 33 1HB LYS 33 -5.751 -8.196 4.477 273 1HG LYS 33 2HG LYS 33 -3.973 -8.863 6.771 274 2HG LYS 33 1HG LYS 33 -5.703 -9.131 6.997 275 1HD LYS 33 2HD LYS 33 -5.015 -10.069 4.391 276 2HD LYS 33 1HD LYS 33 -3.847 -10.740 5.530 277 1HE LYS 33 2HE LYS 33 -5.860 -12.185 5.290 278 2HE LYS 33 1HE LYS 33 -5.659 -11.590 6.938 279 1HZ LYS 33 1HZ LYS 33 -7.886 -11.319 5.365 280 2HZ LYS 33 2HZ LYS 33 -7.169 -9.779 5.340 281 3HZ LYS 33 3HZ LYS 33 -7.576 -10.506 6.821 282 H LYS 34 H LYS 34 -4.015 -8.746 2.896 283 HA LYS 34 HA LYS 34 -1.997 -10.637 3.733 284 1HB LYS 34 2HB LYS 34 -3.543 -10.133 1.209 285 2HB LYS 34 1HB LYS 34 -2.133 -11.190 1.145 286 1HG LYS 34 2HG LYS 34 -3.190 -12.368 3.204 287 2HG LYS 34 1HG LYS 34 -4.674 -11.542 2.728 288 1HD LYS 34 2HD LYS 34 -4.416 -12.516 0.432 289 2HD LYS 34 1HD LYS 34 -3.039 -13.445 1.026 290 1HE LYS 34 2HE LYS 34 -4.419 -15.005 1.872 291 2HE LYS 34 1HE LYS 34 -5.241 -13.782 2.841 292 1HZ LYS 34 1HZ LYS 34 -6.062 -15.025 0.394 293 2HZ LYS 34 2HZ LYS 34 -6.149 -13.329 0.320 294 3HZ LYS 34 3HZ LYS 34 -6.983 -14.174 1.535 295 H ILE 35 H ILE 35 -1.984 -7.810 1.576 296 HA ILE 35 HA ILE 35 0.724 -8.227 0.687 297 HB ILE 35 HB ILE 35 -1.030 -5.767 0.777 298 1HG1 ILE 35 2HG1 ILE 35 -0.325 -7.906 -1.189 299 2HG1 ILE 35 1HG1 ILE 35 -1.863 -7.089 -0.933 300 1HG2 ILE 35 1HG2 ILE 35 1.730 -6.084 -0.454 301 2HG2 ILE 35 2HG2 ILE 35 1.368 -5.136 0.987 302 3HG2 ILE 35 3HG2 ILE 35 0.704 -4.656 -0.575 303 1HD1 ILE 35 1HD1 ILE 35 -1.298 -6.068 -2.906 304 2HD1 ILE 35 2HD1 ILE 35 0.430 -6.321 -2.662 305 3HD1 ILE 35 3HD1 ILE 35 -0.394 -5.004 -1.828 306 H LEU 36 H LEU 36 -0.708 -6.915 3.568 307 HA LEU 36 HA LEU 36 1.396 -5.294 4.529 308 1HB LEU 36 2HB LEU 36 -0.658 -5.434 5.796 309 2HB LEU 36 1HB LEU 36 -0.475 -7.177 6.000 310 HG LEU 36 HG LEU 36 1.720 -6.661 7.209 311 1HD1 LEU 36 1HD1 LEU 36 1.092 -4.131 8.221 312 2HD1 LEU 36 2HD1 LEU 36 0.828 -3.983 6.483 313 3HD1 LEU 36 3HD1 LEU 36 2.396 -4.510 7.095 314 1HD2 LEU 36 1HD2 LEU 36 -1.019 -6.545 8.089 315 2HD2 LEU 36 2HD2 LEU 36 -0.054 -5.433 9.057 316 3HD2 LEU 36 3HD2 LEU 36 0.392 -7.137 8.966 317 H ASP 37 H ASP 37 1.016 -8.816 4.474 318 HA ASP 37 HA ASP 37 3.493 -9.311 5.932 319 1HB ASP 37 2HB ASP 37 2.231 -11.274 4.023 320 2HB ASP 37 1HB ASP 37 3.076 -11.594 5.539 321 H LEU 38 H LEU 38 2.516 -8.975 2.568 322 HA LEU 38 HA LEU 38 4.878 -9.904 1.296 323 1HB LEU 38 2HB LEU 38 2.715 -7.945 0.578 324 2HB LEU 38 1HB LEU 38 4.139 -8.078 -0.454 325 HG LEU 38 HG LEU 38 2.823 -10.616 0.390 326 1HD1 LEU 38 1HD1 LEU 38 1.579 -9.918 -2.021 327 2HD1 LEU 38 2HD1 LEU 38 1.442 -8.474 -1.019 328 3HD1 LEU 38 3HD1 LEU 38 0.809 -10.013 -0.437 329 1HD2 LEU 38 1HD2 LEU 38 3.343 -10.605 -2.339 330 2HD2 LEU 38 2HD2 LEU 38 4.422 -11.236 -1.094 331 3HD2 LEU 38 3HD2 LEU 38 4.622 -9.585 -1.681 332 H MET 39 H MET 39 4.133 -6.843 2.882 333 HA MET 39 HA MET 39 6.611 -5.591 1.914 334 1HB MET 39 2HB MET 39 4.718 -4.612 4.069 335 2HB MET 39 1HB MET 39 5.903 -3.656 3.177 336 1HG MET 39 2HG MET 39 3.566 -5.097 1.890 337 2HG MET 39 1HG MET 39 3.561 -3.387 2.318 338 1HE MET 39 1HE MET 39 6.557 -2.226 1.383 339 2HE MET 39 2HE MET 39 4.883 -1.734 1.628 340 3HE MET 39 3HE MET 39 5.625 -1.550 0.040 341 H ASN 40 H ASN 40 5.317 -6.645 5.081 342 HA ASN 40 HA ASN 40 6.454 -7.192 7.062 343 1HB ASN 40 2HB ASN 40 7.327 -8.987 5.575 344 2HB ASN 40 1HB ASN 40 8.655 -7.924 5.105 345 1HD2 ASN 40 1HD2 ASN 40 10.146 -9.562 6.089 346 2HD2 ASN 40 2HD2 ASN 40 10.353 -9.597 7.773 347 H VAL 41 H VAL 41 6.773 -4.475 5.795 348 HA VAL 41 HA VAL 41 9.493 -3.630 6.445 349 HB VAL 41 HB VAL 41 7.080 -1.846 6.059 350 1HG1 VAL 41 1HG1 VAL 41 9.077 -0.702 6.830 351 2HG1 VAL 41 2HG1 VAL 41 8.856 -0.337 5.118 352 3HG1 VAL 41 3HG1 VAL 41 10.062 -1.522 5.619 353 1HG2 VAL 41 1HG2 VAL 41 8.906 -2.651 3.814 354 2HG2 VAL 41 2HG2 VAL 41 7.250 -2.047 3.740 355 3HG2 VAL 41 3HG2 VAL 41 7.563 -3.706 4.251 356 H ASP 42 H ASP 42 9.957 -2.032 8.156 357 HA ASP 42 HA ASP 42 8.463 -2.680 10.619 358 1HB ASP 42 2HB ASP 42 10.310 -1.343 11.712 359 2HB ASP 42 1HB ASP 42 10.871 -2.749 10.805 360 H LYS 43 H LYS 43 7.353 -1.125 11.852 361 HA LYS 43 HA LYS 43 6.331 0.947 12.334 362 1HB LYS 43 2HB LYS 43 8.678 1.711 11.115 363 2HB LYS 43 1HB LYS 43 7.463 2.423 10.052 364 1HG LYS 43 2HG LYS 43 7.083 4.049 11.558 365 2HG LYS 43 1HG LYS 43 6.636 2.838 12.760 366 1HD LYS 43 2HD LYS 43 9.543 3.140 12.241 367 2HD LYS 43 1HD LYS 43 8.757 4.491 13.061 368 1HE LYS 43 2HE LYS 43 9.039 3.274 14.953 369 2HE LYS 43 1HE LYS 43 7.686 2.307 14.363 370 1HZ LYS 43 1HZ LYS 43 9.075 0.683 13.560 371 2HZ LYS 43 2HZ LYS 43 9.909 1.163 14.960 372 3HZ LYS 43 3HZ LYS 43 10.414 1.718 13.436 373 H LEU 44 H LEU 44 6.023 -0.901 9.613 374 HA LEU 44 HA LEU 44 3.914 0.824 8.409 375 1HB LEU 44 2HB LEU 44 5.584 -1.459 7.434 376 2HB LEU 44 1HB LEU 44 3.984 -1.239 6.723 377 HG LEU 44 HG LEU 44 6.196 0.832 6.849 378 1HD1 LEU 44 1HD1 LEU 44 6.824 -0.177 4.927 379 2HD1 LEU 44 2HD1 LEU 44 5.338 0.460 4.222 380 3HD1 LEU 44 3HD1 LEU 44 5.367 -1.171 4.893 381 1HD2 LEU 44 1HD2 LEU 44 4.433 1.995 5.266 382 2HD2 LEU 44 2HD2 LEU 44 4.264 2.132 7.017 383 3HD2 LEU 44 3HD2 LEU 44 3.283 0.970 6.124 384 H THR 45 H THR 45 1.902 0.474 9.210 385 HA THR 45 HA THR 45 1.251 -2.213 10.311 386 HB THR 45 HB THR 45 -0.849 -0.947 11.106 387 HG1 THR 45 1HG THR 45 0.810 1.269 10.522 388 1HG2 THR 45 1HG2 THR 45 0.291 -0.911 13.040 389 2HG2 THR 45 2HG2 THR 45 1.211 0.494 12.498 390 3HG2 THR 45 3HG2 THR 45 1.788 -1.133 12.132 391 H ARG 46 H ARG 46 -1.062 -2.960 9.825 392 HA ARG 46 HA ARG 46 -1.412 -3.044 6.940 393 1HB ARG 46 2HB ARG 46 -3.195 -4.584 7.378 394 2HB ARG 46 1HB ARG 46 -1.947 -4.928 8.577 395 1HG ARG 46 2HG ARG 46 -3.769 -4.804 9.984 396 2HG ARG 46 1HG ARG 46 -3.317 -3.099 9.968 397 1HD ARG 46 2HD ARG 46 -5.339 -2.595 9.122 398 2HD ARG 46 1HD ARG 46 -4.954 -3.547 7.688 399 HE ARG 46 HE ARG 46 -6.312 -4.657 10.111 400 1HH1 ARG 46 1HH2 ARG 46 -6.551 -4.015 6.823 401 2HH1 ARG 46 2HH2 ARG 46 -7.170 -5.572 6.384 402 1HH2 ARG 46 1HH1 ARG 46 -6.675 -6.949 9.527 403 2HH2 ARG 46 2HH1 ARG 46 -7.240 -7.233 7.914 404 H GLU 47 H GLU 47 -2.561 -1.014 9.470 405 HA GLU 47 HA GLU 47 -5.026 -0.194 8.163 406 1HB GLU 47 2HB GLU 47 -3.644 0.358 10.644 407 2HB GLU 47 1HB GLU 47 -4.167 1.865 9.891 408 1HG GLU 47 2HG GLU 47 -6.304 0.037 9.573 409 2HG GLU 47 1HG GLU 47 -5.763 -0.118 11.245 410 H ASN 48 H ASN 48 -1.672 0.910 8.155 411 HA ASN 48 HA ASN 48 -2.131 3.437 6.878 412 1HB ASN 48 2HB ASN 48 0.215 1.612 7.224 413 2HB ASN 48 1HB ASN 48 0.329 2.887 6.011 414 1HD2 ASN 48 1HD2 ASN 48 -1.670 3.388 8.866 415 2HD2 ASN 48 2HD2 ASN 48 -0.642 4.511 9.616 416 H VAL 49 H VAL 49 -1.528 0.178 5.585 417 HA VAL 49 HA VAL 49 -1.675 1.143 2.817 418 HB VAL 49 HB VAL 49 -1.791 -1.736 3.734 419 1HG1 VAL 49 1HG1 VAL 49 -1.767 -2.086 1.510 420 2HG1 VAL 49 2HG1 VAL 49 -0.177 -1.327 1.446 421 3HG1 VAL 49 3HG1 VAL 49 -1.628 -0.353 1.208 422 1HG2 VAL 49 1HG2 VAL 49 0.611 0.091 3.434 423 2HG2 VAL 49 2HG2 VAL 49 0.725 -1.668 3.493 424 3HG2 VAL 49 3HG2 VAL 49 0.108 -0.777 4.884 425 H ALA 50 H ALA 50 -3.809 -0.174 5.231 426 HA ALA 50 HA ALA 50 -5.894 -0.946 3.348 427 1HB ALA 50 1HB ALA 50 -6.253 -0.371 6.295 428 2HB ALA 50 2HB ALA 50 -5.560 -1.884 5.708 429 3HB ALA 50 3HB ALA 50 -7.213 -1.443 5.275 430 H SER 51 H SER 51 -4.880 1.979 4.884 431 HA SER 51 HA SER 51 -7.446 3.343 4.683 432 1HB SER 51 2HB SER 51 -4.613 4.308 5.137 433 2HB SER 51 1HB SER 51 -5.990 5.404 5.052 434 HG SER 51 HG SER 51 -6.692 4.680 6.926 435 H HIS 52 H HIS 52 -4.439 3.293 2.767 436 HA HIS 52 HA HIS 52 -5.347 5.190 0.804 437 1HB HIS 52 2HB HIS 52 -2.968 4.640 1.058 438 2HB HIS 52 1HB HIS 52 -3.287 2.972 0.585 439 HD1 HIS 52 1HD HIS 52 -2.179 6.064 -0.819 440 HD2 HIS 52 2HD HIS 52 -4.633 2.980 -2.179 441 HE1 HIS 52 1HE HIS 52 -2.275 6.284 -3.340 442 H LEU 53 H LEU 53 -5.752 1.723 1.202 443 HA LEU 53 HA LEU 53 -6.770 1.271 -1.485 444 1HB LEU 53 2HB LEU 53 -5.780 -0.563 -0.173 445 2HB LEU 53 1HB LEU 53 -7.046 -0.387 1.042 446 HG LEU 53 HG LEU 53 -8.618 -0.665 -1.099 447 1HD1 LEU 53 1HD1 LEU 53 -7.021 -2.741 -2.144 448 2HD1 LEU 53 2HD1 LEU 53 -5.965 -1.332 -2.046 449 3HD1 LEU 53 3HD1 LEU 53 -7.476 -1.242 -2.954 450 1HD2 LEU 53 1HD2 LEU 53 -9.174 -2.465 0.137 451 2HD2 LEU 53 2HD2 LEU 53 -7.638 -2.348 0.994 452 3HD2 LEU 53 3HD2 LEU 53 -7.758 -3.323 -0.471 453 H GLN 54 H GLN 54 -8.229 1.795 1.720 454 HA GLN 54 HA GLN 54 -10.948 1.464 0.832 455 1HB GLN 54 2HB GLN 54 -9.627 2.691 3.235 456 2HB GLN 54 1HB GLN 54 -11.347 2.966 2.959 457 1HG GLN 54 2HG GLN 54 -11.084 0.251 2.503 458 2HG GLN 54 1HG GLN 54 -9.971 0.533 3.843 459 1HE2 GLN 54 1HE2 GLN 54 -11.571 2.852 4.874 460 2HE2 GLN 54 2HE2 GLN 54 -12.946 2.169 5.599 461 H LYS 55 H LYS 55 -8.707 4.175 0.855 462 HA LYS 55 HA LYS 55 -10.663 6.228 0.369 463 1HB LYS 55 2HB LYS 55 -7.691 5.999 0.058 464 2HB LYS 55 1HB LYS 55 -8.525 7.364 -0.687 465 1HG LYS 55 2HG LYS 55 -8.610 6.581 2.240 466 2HG LYS 55 1HG LYS 55 -7.822 7.999 1.554 467 1HD LYS 55 2HD LYS 55 -9.749 9.127 1.828 468 2HD LYS 55 1HD LYS 55 -10.471 8.081 0.603 469 1HE LYS 55 2HE LYS 55 -11.038 6.432 2.369 470 2HE LYS 55 1HE LYS 55 -10.365 7.519 3.582 471 1HZ LYS 55 1HZ LYS 55 -12.866 7.600 3.147 472 2HZ LYS 55 2HZ LYS 55 -12.466 8.433 1.722 473 3HZ LYS 55 3HZ LYS 55 -12.030 9.073 3.233 474 H PHE 56 H PHE 56 -9.048 3.898 -1.684 475 HA PHE 56 HA PHE 56 -9.657 5.248 -4.181 476 1HB PHE 56 2HB PHE 56 -7.882 3.440 -3.834 477 2HB PHE 56 1HB PHE 56 -9.206 2.274 -3.810 478 HD1 PHE 56 1HD PHE 56 -9.129 1.105 -5.848 479 HD2 PHE 56 2HD PHE 56 -8.714 5.381 -5.840 480 HE1 PHE 56 1HE PHE 56 -9.179 1.115 -8.328 481 HE2 PHE 56 2HE PHE 56 -8.765 5.391 -8.319 482 HZ PHE 56 HZ PHE 56 -8.997 3.259 -9.563 483 H ARG 57 H ARG 57 -11.272 2.788 -2.194 484 HA ARG 57 HA ARG 57 -13.369 2.195 -4.070 485 1HB ARG 57 2HB ARG 57 -13.588 2.171 -1.043 486 2HB ARG 57 1HB ARG 57 -14.539 1.226 -2.190 487 1HG ARG 57 2HG ARG 57 -11.885 0.625 -2.831 488 2HG ARG 57 1HG ARG 57 -11.914 0.654 -1.067 489 1HD ARG 57 2HD ARG 57 -12.467 -1.595 -1.909 490 2HD ARG 57 1HD ARG 57 -13.847 -0.883 -1.073 491 HE ARG 57 HE ARG 57 -13.738 -0.553 -4.014 492 1HH1 ARG 57 1HH2 ARG 57 -16.205 -0.149 -2.321 493 2HH1 ARG 57 2HH2 ARG 57 -17.083 -1.611 -2.628 494 1HH2 ARG 57 1HH1 ARG 57 -14.350 -3.290 -3.942 495 2HH2 ARG 57 2HH1 ARG 57 -16.032 -3.389 -3.547 496 H VAL 58 H VAL 58 -13.060 4.581 -1.444 497 HA VAL 58 HA VAL 58 -15.674 5.728 -1.774 498 HB VAL 58 HB VAL 58 -13.072 6.837 -0.683 499 1HG1 VAL 58 1HG1 VAL 58 -14.455 8.677 -1.587 500 2HG1 VAL 58 2HG1 VAL 58 -14.402 8.725 0.176 501 3HG1 VAL 58 3HG1 VAL 58 -15.831 8.099 -0.648 502 1HG2 VAL 58 1HG2 VAL 58 -13.816 6.126 1.360 503 2HG2 VAL 58 2HG2 VAL 58 -14.758 4.995 0.390 504 3HG2 VAL 58 3HG2 VAL 58 -15.502 6.482 0.982 505 H ALA 59 H ALA 59 -12.557 6.222 -3.318 506 HA ALA 59 HA ALA 59 -13.468 8.521 -4.883 507 1HB ALA 59 1HB ALA 59 -10.963 6.856 -4.789 508 2HB ALA 59 2HB ALA 59 -11.154 8.583 -4.485 509 3HB ALA 59 3HB ALA 59 -11.243 7.962 -6.133 510 H LEU 60 H LEU 60 -13.791 5.154 -5.054 511 HA LEU 60 HA LEU 60 -13.858 4.934 -7.967 512 1HB LEU 60 2HB LEU 60 -14.304 3.121 -5.637 513 2HB LEU 60 1HB LEU 60 -15.059 2.674 -7.165 514 HG LEU 60 HG LEU 60 -12.142 3.440 -6.981 515 1HD1 LEU 60 1HD1 LEU 60 -11.756 1.496 -5.904 516 2HD1 LEU 60 2HD1 LEU 60 -12.352 0.659 -7.337 517 3HD1 LEU 60 3HD1 LEU 60 -13.455 1.039 -6.015 518 1HD2 LEU 60 1HD2 LEU 60 -12.482 1.640 -9.026 519 2HD2 LEU 60 2HD2 LEU 60 -12.517 3.392 -9.228 520 3HD2 LEU 60 3HD2 LEU 60 -14.025 2.494 -9.050 521 H LYS 61 H LYS 61 -16.125 5.589 -5.385 522 HA LYS 61 HA LYS 61 -18.488 5.095 -7.033 523 1HB LYS 61 2HB LYS 61 -19.644 6.311 -5.101 524 2HB LYS 61 1HB LYS 61 -18.795 4.823 -4.679 525 1HG LYS 61 2HG LYS 61 -16.962 6.000 -3.744 526 2HG LYS 61 1HG LYS 61 -17.439 7.516 -4.512 527 1HD LYS 61 2HD LYS 61 -19.545 6.412 -2.805 528 2HD LYS 61 1HD LYS 61 -18.061 6.755 -1.915 529 1HE LYS 61 2HE LYS 61 -18.191 8.998 -3.400 530 2HE LYS 61 1HE LYS 61 -19.913 8.625 -3.303 531 1HZ LYS 61 1HZ LYS 61 -19.562 9.869 -1.414 532 2HZ LYS 61 2HZ LYS 61 -18.018 9.218 -1.129 533 3HZ LYS 61 3HZ LYS 61 -19.407 8.291 -0.812 534 H LYS 62 H LYS 62 -16.166 7.448 -7.133 535 HA LYS 62 HA LYS 62 -18.123 9.555 -7.950 536 1HB LYS 62 2HB LYS 62 -16.103 9.805 -6.149 537 2HB LYS 62 1HB LYS 62 -15.263 10.267 -7.630 538 1HG LYS 62 2HG LYS 62 -17.573 11.649 -7.953 539 2HG LYS 62 1HG LYS 62 -17.456 11.652 -6.192 540 1HD LYS 62 2HD LYS 62 -14.878 12.202 -7.424 541 2HD LYS 62 1HD LYS 62 -16.101 13.362 -7.943 542 1HE LYS 62 2HE LYS 62 -16.731 13.503 -5.430 543 2HE LYS 62 1HE LYS 62 -15.162 12.749 -5.144 544 1HZ LYS 62 1HZ LYS 62 -14.496 14.889 -5.166 545 2HZ LYS 62 2HZ LYS 62 -15.794 15.415 -6.129 546 3HZ LYS 62 3HZ LYS 62 -14.458 14.645 -6.844 547 H VAL 63 H VAL 63 -16.459 7.150 -9.327 548 HA VAL 63 HA VAL 63 -16.343 8.518 -11.913 549 HB VAL 63 HB VAL 63 -14.120 9.010 -10.781 550 1HG1 VAL 63 1HG1 VAL 63 -13.658 6.053 -11.256 551 2HG1 VAL 63 2HG1 VAL 63 -14.008 6.744 -9.671 552 3HG1 VAL 63 3HG1 VAL 63 -12.536 7.203 -10.529 553 1HG2 VAL 63 1HG2 VAL 63 -13.077 8.958 -12.828 554 2HG2 VAL 63 2HG2 VAL 63 -14.699 8.537 -13.379 555 3HG2 VAL 63 3HG2 VAL 63 -13.501 7.270 -13.115 556 H SER 64 H SER 64 -17.129 7.049 -13.338 557 HA SER 64 HA SER 64 -17.868 4.961 -14.147 558 1HB SER 64 2HB SER 64 -15.148 5.120 -14.298 559 2HB SER 64 1HB SER 64 -15.338 3.652 -13.344 560 HG SER 64 HG SER 64 -16.644 4.220 -15.806 Start of MODEL 9 1 1H THR 1 1HT THR 1 20.892 14.243 6.897 2 2H THR 1 2HT THR 1 22.085 14.977 7.858 3 3H THR 1 3HT THR 1 22.063 13.289 7.667 4 HA THR 1 HA THR 1 23.019 15.363 5.847 5 HB THR 1 HB THR 1 24.473 13.781 7.194 6 HG1 THR 1 1HG THR 1 25.117 14.777 5.198 7 1HG2 THR 1 1HG2 THR 1 24.640 11.464 6.393 8 2HG2 THR 1 2HG2 THR 1 23.335 11.759 5.244 9 3HG2 THR 1 3HG2 THR 1 23.010 11.800 6.978 10 H ALA 2 H ALA 2 20.897 12.595 5.875 11 HA ALA 2 HA ALA 2 19.506 11.780 4.158 12 1HB ALA 2 1HB ALA 2 18.891 13.295 2.585 13 2HB ALA 2 2HB ALA 2 20.546 13.491 2.009 14 3HB ALA 2 3HB ALA 2 19.987 14.401 3.412 15 H GLN 3 H GLN 3 21.508 10.185 4.599 16 HA GLN 3 HA GLN 3 22.387 9.336 1.914 17 1HB GLN 3 2HB GLN 3 24.133 10.739 3.713 18 2HB GLN 3 1HB GLN 3 24.688 9.071 3.564 19 1HG GLN 3 2HG GLN 3 23.868 10.213 0.999 20 2HG GLN 3 1HG GLN 3 25.195 11.104 1.747 21 1HE2 GLN 3 1HE2 GLN 3 26.850 9.346 2.862 22 2HE2 GLN 3 2HE2 GLN 3 27.326 8.111 1.800 23 H LYS 4 H LYS 4 20.542 7.976 3.277 24 HA LYS 4 HA LYS 4 21.695 5.402 3.687 25 1HB LYS 4 2HB LYS 4 22.080 7.043 5.899 26 2HB LYS 4 1HB LYS 4 20.642 6.113 6.322 27 1HG LYS 4 2HG LYS 4 22.177 4.141 5.276 28 2HG LYS 4 1HG LYS 4 23.435 5.195 5.922 29 1HD LYS 4 2HD LYS 4 21.060 4.114 7.471 30 2HD LYS 4 1HD LYS 4 22.730 3.564 7.622 31 1HE LYS 4 2HE LYS 4 22.337 6.482 7.919 32 2HE LYS 4 1HE LYS 4 21.628 5.496 9.198 33 1HZ LYS 4 1HZ LYS 4 23.934 4.310 9.073 34 2HZ LYS 4 2HZ LYS 4 23.745 5.742 9.969 35 3HZ LYS 4 3HZ LYS 4 24.440 5.792 8.419 36 H LYS 5 H LYS 5 19.555 6.259 2.208 37 HA LYS 5 HA LYS 5 17.293 5.798 1.790 38 1HB LYS 5 2HB LYS 5 18.149 3.503 2.410 39 2HB LYS 5 1HB LYS 5 17.583 3.809 4.053 40 1HG LYS 5 2HG LYS 5 15.295 4.233 3.140 41 2HG LYS 5 1HG LYS 5 15.886 3.779 1.541 42 1HD LYS 5 2HD LYS 5 16.749 1.658 3.026 43 2HD LYS 5 1HD LYS 5 15.258 2.073 3.872 44 1HE LYS 5 2HE LYS 5 13.952 1.837 1.881 45 2HE LYS 5 1HE LYS 5 15.392 1.760 0.867 46 1HZ LYS 5 1HZ LYS 5 14.627 -0.240 2.925 47 2HZ LYS 5 2HZ LYS 5 15.999 -0.316 1.925 48 3HZ LYS 5 3HZ LYS 5 14.444 -0.434 1.250 49 HA PRO 6 HA PRO 6 15.647 8.415 5.070 50 1HB PRO 6 2HB PRO 6 13.719 9.552 3.471 51 2HB PRO 6 1HB PRO 6 15.402 10.105 3.522 52 1HG PRO 6 2HG PRO 6 14.011 8.511 1.417 53 2HG PRO 6 1HG PRO 6 15.399 9.601 1.265 54 1HD PRO 6 2HD PRO 6 15.520 6.778 1.330 55 2HD PRO 6 1HD PRO 6 16.895 7.884 1.537 56 H ARG 7 H ARG 7 13.600 8.374 6.229 57 HA ARG 7 HA ARG 7 12.328 5.971 6.617 58 1HB ARG 7 2HB ARG 7 10.250 7.372 7.234 59 2HB ARG 7 1HB ARG 7 11.747 7.728 8.097 60 1HG ARG 7 2HG ARG 7 12.209 9.590 6.559 61 2HG ARG 7 1HG ARG 7 10.733 9.228 5.664 62 1HD ARG 7 2HD ARG 7 10.420 9.594 8.593 63 2HD ARG 7 1HD ARG 7 10.826 11.042 7.671 64 HE ARG 7 HE ARG 7 8.727 9.748 6.290 65 1HH1 ARG 7 1HH2 ARG 7 8.934 12.567 7.648 66 2HH1 ARG 7 2HH2 ARG 7 7.502 12.523 8.620 67 1HH2 ARG 7 1HH1 ARG 7 7.051 9.103 8.273 68 2HH2 ARG 7 2HH1 ARG 7 6.435 10.561 8.975 69 H VAL 8 H VAL 8 11.364 4.627 5.192 70 HA VAL 8 HA VAL 8 10.103 5.755 2.759 71 HB VAL 8 HB VAL 8 11.149 3.072 3.585 72 1HG1 VAL 8 1HG1 VAL 8 9.022 2.305 2.897 73 2HG1 VAL 8 2HG1 VAL 8 10.000 2.189 1.435 74 3HG1 VAL 8 3HG1 VAL 8 8.887 3.540 1.645 75 1HG2 VAL 8 1HG2 VAL 8 11.232 4.689 1.020 76 2HG2 VAL 8 2HG2 VAL 8 12.106 3.185 1.309 77 3HG2 VAL 8 3HG2 VAL 8 12.505 4.629 2.239 78 H LEU 9 H LEU 9 8.128 6.581 3.574 79 HA LEU 9 HA LEU 9 6.320 4.595 4.878 80 1HB LEU 9 2HB LEU 9 6.860 6.870 5.973 81 2HB LEU 9 1HB LEU 9 5.848 7.570 4.712 82 HG LEU 9 HG LEU 9 4.086 5.815 5.427 83 1HD1 LEU 9 1HD1 LEU 9 5.107 5.873 8.163 84 2HD1 LEU 9 2HD1 LEU 9 6.183 5.002 7.071 85 3HD1 LEU 9 3HD1 LEU 9 4.496 4.511 7.226 86 1HD2 LEU 9 1HD2 LEU 9 3.908 8.249 5.869 87 2HD2 LEU 9 2HD2 LEU 9 4.853 8.041 7.344 88 3HD2 LEU 9 3HD2 LEU 9 3.257 7.302 7.206 89 H TRP 10 H TRP 10 6.674 6.805 2.159 90 HA TRP 10 HA TRP 10 4.737 5.336 0.591 91 1HB TRP 10 2HB TRP 10 3.916 7.887 1.936 92 2HB TRP 10 1HB TRP 10 3.334 7.572 0.301 93 HD1 TRP 10 HD TRP 10 2.211 7.135 3.647 94 HE1 TRP 10 1HE TRP 10 0.583 5.151 3.899 95 HE3 TRP 10 3HE TRP 10 3.114 4.693 -0.745 96 HZ2 TRP 10 2HZ TRP 10 -0.229 2.836 2.429 97 HZ3 TRP 10 3HZ TRP 10 1.901 2.603 -1.294 98 HH2 TRP 10 HH TRP 10 0.232 1.672 0.286 99 H THR 11 H THR 11 7.055 5.550 -0.374 100 HA THR 11 HA THR 11 7.222 8.072 -1.977 101 HB THR 11 HB THR 11 9.682 7.117 -2.280 102 HG1 THR 11 1HG THR 11 9.488 5.242 -1.167 103 1HG2 THR 11 1HG2 THR 11 10.351 8.419 -0.270 104 2HG2 THR 11 2HG2 THR 11 8.664 8.450 0.244 105 3HG2 THR 11 3HG2 THR 11 9.147 9.266 -1.243 106 H HIS 12 H HIS 12 8.460 7.604 -4.146 107 HA HIS 12 HA HIS 12 6.875 6.040 -5.831 108 1HB HIS 12 2HB HIS 12 9.707 7.015 -5.997 109 2HB HIS 12 1HB HIS 12 9.119 5.894 -7.225 110 HD1 HIS 12 1HD HIS 12 9.777 8.948 -7.776 111 HD2 HIS 12 2HD HIS 12 5.974 7.384 -7.093 112 HE1 HIS 12 1HE HIS 12 8.138 10.575 -8.813 113 H GLU 13 H GLU 13 9.516 5.039 -3.754 114 HA GLU 13 HA GLU 13 9.911 2.435 -4.932 115 1HB GLU 13 2HB GLU 13 11.444 3.702 -3.288 116 2HB GLU 13 1HB GLU 13 10.362 3.119 -2.025 117 1HG GLU 13 2HG GLU 13 11.399 1.125 -2.044 118 2HG GLU 13 1HG GLU 13 10.980 0.919 -3.745 119 H LEU 14 H LEU 14 8.168 3.485 -1.993 120 HA LEU 14 HA LEU 14 7.015 0.967 -1.380 121 1HB LEU 14 2HB LEU 14 6.373 3.809 -0.731 122 2HB LEU 14 1HB LEU 14 5.125 2.602 -0.423 123 HG LEU 14 HG LEU 14 7.978 2.336 0.544 124 1HD1 LEU 14 1HD1 LEU 14 6.933 4.282 1.611 125 2HD1 LEU 14 2HD1 LEU 14 7.057 2.958 2.770 126 3HD1 LEU 14 3HD1 LEU 14 5.509 3.320 2.007 127 1HD2 LEU 14 1HD2 LEU 14 6.833 0.212 0.372 128 2HD2 LEU 14 2HD2 LEU 14 5.393 0.874 1.145 129 3HD2 LEU 14 3HD2 LEU 14 6.875 0.662 2.077 130 H HIS 15 H HIS 15 6.293 3.220 -3.898 131 HA HIS 15 HA HIS 15 3.554 2.314 -4.339 132 1HB HIS 15 2HB HIS 15 4.557 4.587 -5.005 133 2HB HIS 15 1HB HIS 15 5.311 3.731 -6.350 134 HD1 HIS 15 1HD HIS 15 2.055 5.054 -5.149 135 HD2 HIS 15 2HD HIS 15 3.418 2.615 -8.243 136 HE1 HIS 15 1HE HIS 15 0.146 4.859 -6.802 137 H ASN 16 H ASN 16 6.754 1.484 -5.576 138 HA ASN 16 HA ASN 16 5.765 -0.151 -7.759 139 1HB ASN 16 2HB ASN 16 8.443 0.012 -6.356 140 2HB ASN 16 1HB ASN 16 8.138 -1.064 -7.720 141 1HD2 ASN 16 1HD2 ASN 16 6.532 0.559 -9.367 142 2HD2 ASN 16 2HD2 ASN 16 7.419 1.919 -9.859 143 H LYS 17 H LYS 17 6.752 -0.786 -4.409 144 HA LYS 17 HA LYS 17 6.488 -3.667 -4.666 145 1HB LYS 17 2HB LYS 17 6.359 -2.039 -2.115 146 2HB LYS 17 1HB LYS 17 6.840 -3.728 -2.289 147 1HG LYS 17 2HG LYS 17 8.846 -3.124 -3.465 148 2HG LYS 17 1HG LYS 17 8.319 -1.448 -3.623 149 1HD LYS 17 2HD LYS 17 8.397 -1.203 -1.158 150 2HD LYS 17 1HD LYS 17 8.970 -2.866 -1.022 151 1HE LYS 17 2HE LYS 17 10.897 -2.213 -2.536 152 2HE LYS 17 1HE LYS 17 10.379 -0.538 -2.347 153 1HZ LYS 17 1HZ LYS 17 10.928 -2.300 -0.034 154 2HZ LYS 17 2HZ LYS 17 10.783 -0.608 -0.052 155 3HZ LYS 17 3HZ LYS 17 12.136 -1.355 -0.758 156 H PHE 18 H PHE 18 4.372 -1.024 -3.645 157 HA PHE 18 HA PHE 18 2.268 -2.750 -2.661 158 1HB PHE 18 2HB PHE 18 2.356 -0.463 -1.891 159 2HB PHE 18 1HB PHE 18 2.288 0.148 -3.544 160 HD1 PHE 18 1HD PHE 18 0.225 0.856 -4.347 161 HD2 PHE 18 2HD PHE 18 0.358 -2.164 -1.295 162 HE1 PHE 18 1HE PHE 18 -2.253 0.834 -4.263 163 HE2 PHE 18 2HE PHE 18 -2.121 -2.186 -1.210 164 HZ PHE 18 HZ PHE 18 -3.426 -0.688 -2.694 165 H LEU 19 H LEU 19 3.159 -1.518 -5.820 166 HA LEU 19 HA LEU 19 0.560 -2.153 -7.006 167 1HB LEU 19 2HB LEU 19 3.203 -1.164 -8.017 168 2HB LEU 19 1HB LEU 19 2.078 -1.884 -9.170 169 HG LEU 19 HG LEU 19 1.472 0.426 -7.299 170 1HD1 LEU 19 1HD1 LEU 19 2.926 0.986 -9.240 171 2HD1 LEU 19 2HD1 LEU 19 1.340 1.745 -9.359 172 3HD1 LEU 19 3HD1 LEU 19 1.706 0.315 -10.323 173 1HD2 LEU 19 1HD2 LEU 19 -0.201 -1.283 -9.111 174 2HD2 LEU 19 2HD2 LEU 19 -0.599 0.429 -8.958 175 3HD2 LEU 19 3HD2 LEU 19 -0.600 -0.608 -7.531 176 H ALA 20 H ALA 20 3.773 -3.670 -6.877 177 HA ALA 20 HA ALA 20 2.945 -5.889 -8.578 178 1HB ALA 20 1HB ALA 20 5.115 -6.817 -8.125 179 2HB ALA 20 2HB ALA 20 5.307 -5.819 -6.683 180 3HB ALA 20 3HB ALA 20 5.340 -5.075 -8.282 181 H ALA 21 H ALA 21 2.796 -5.125 -5.192 182 HA ALA 21 HA ALA 21 2.440 -7.887 -4.319 183 1HB ALA 21 1HB ALA 21 3.209 -6.540 -2.571 184 2HB ALA 21 2HB ALA 21 1.478 -6.583 -2.236 185 3HB ALA 21 3HB ALA 21 2.186 -5.181 -3.038 186 H VAL 22 H VAL 22 0.318 -5.120 -5.028 187 HA VAL 22 HA VAL 22 -2.127 -6.509 -4.339 188 HB VAL 22 HB VAL 22 -1.778 -4.236 -6.314 189 1HG1 VAL 22 1HG1 VAL 22 -3.995 -5.372 -6.218 190 2HG1 VAL 22 2HG1 VAL 22 -4.067 -3.692 -5.685 191 3HG1 VAL 22 3HG1 VAL 22 -4.080 -4.997 -4.497 192 1HG2 VAL 22 1HG2 VAL 22 -1.544 -2.741 -4.593 193 2HG2 VAL 22 2HG2 VAL 22 -0.813 -4.137 -3.801 194 3HG2 VAL 22 3HG2 VAL 22 -2.496 -3.720 -3.477 195 H ASP 23 H ASP 23 -0.396 -5.879 -7.355 196 HA ASP 23 HA ASP 23 -2.201 -7.159 -9.139 197 1HB ASP 23 2HB ASP 23 -0.070 -5.732 -9.589 198 2HB ASP 23 1HB ASP 23 0.787 -7.261 -9.472 199 H HIS 24 H HIS 24 0.546 -8.422 -7.277 200 HA HIS 24 HA HIS 24 0.556 -11.062 -8.312 201 1HB HIS 24 2HB HIS 24 2.335 -10.266 -6.845 202 2HB HIS 24 1HB HIS 24 1.195 -10.090 -5.511 203 HD1 HIS 24 1HD HIS 24 0.943 -13.060 -7.774 204 HD2 HIS 24 2HD HIS 24 2.503 -12.157 -4.015 205 HE1 HIS 24 1HE HIS 24 1.497 -15.274 -6.678 206 H LEU 25 H LEU 25 -1.674 -9.493 -6.143 207 HA LEU 25 HA LEU 25 -2.977 -12.130 -5.605 208 1HB LEU 25 2HB LEU 25 -3.562 -9.531 -4.181 209 2HB LEU 25 1HB LEU 25 -3.928 -11.172 -3.646 210 HG LEU 25 HG LEU 25 -1.066 -10.483 -4.161 211 1HD1 LEU 25 1HD1 LEU 25 -1.040 -8.798 -2.667 212 2HD1 LEU 25 2HD1 LEU 25 -1.562 -9.943 -1.433 213 3HD1 LEU 25 3HD1 LEU 25 -2.758 -9.014 -2.336 214 1HD2 LEU 25 1HD2 LEU 25 -1.036 -11.896 -1.932 215 2HD2 LEU 25 2HD2 LEU 25 -1.335 -12.699 -3.473 216 3HD2 LEU 25 3HD2 LEU 25 -2.684 -12.310 -2.407 217 H GLY 26 H GLY 26 -3.220 -9.435 -7.583 218 1HA GLY 26 2HA GLY 26 -4.952 -9.052 -9.183 219 2HA GLY 26 1HA GLY 26 -6.007 -10.126 -8.257 220 H VAL 27 H VAL 27 -5.304 -6.895 -8.923 221 HA VAL 27 HA VAL 27 -5.845 -5.534 -6.522 222 HB VAL 27 HB VAL 27 -5.153 -4.345 -8.534 223 1HG1 VAL 27 1HG1 VAL 27 -7.831 -5.284 -9.594 224 2HG1 VAL 27 2HG1 VAL 27 -6.232 -5.644 -10.247 225 3HG1 VAL 27 3HG1 VAL 27 -6.882 -4.008 -10.359 226 1HG2 VAL 27 1HG2 VAL 27 -7.011 -3.454 -6.740 227 2HG2 VAL 27 2HG2 VAL 27 -7.878 -3.217 -8.258 228 3HG2 VAL 27 3HG2 VAL 27 -6.311 -2.447 -8.008 229 H GLU 28 H GLU 28 -7.958 -7.483 -8.418 230 HA GLU 28 HA GLU 28 -10.439 -6.239 -7.544 231 1HB GLU 28 2HB GLU 28 -9.644 -8.428 -9.272 232 2HB GLU 28 1HB GLU 28 -10.980 -8.911 -8.226 233 1HG GLU 28 2HG GLU 28 -12.423 -7.318 -9.098 234 2HG GLU 28 1HG GLU 28 -11.111 -6.233 -9.561 235 H ARG 29 H ARG 29 -8.547 -9.065 -6.471 236 HA ARG 29 HA ARG 29 -10.321 -9.186 -4.062 237 1HB ARG 29 2HB ARG 29 -8.681 -11.398 -5.338 238 2HB ARG 29 1HB ARG 29 -9.675 -11.565 -3.889 239 1HG ARG 29 2HG ARG 29 -11.265 -10.358 -5.945 240 2HG ARG 29 1HG ARG 29 -10.497 -11.802 -6.606 241 1HD ARG 29 2HD ARG 29 -11.309 -13.110 -4.667 242 2HD ARG 29 1HD ARG 29 -12.108 -11.668 -4.040 243 HE ARG 29 HE ARG 29 -13.047 -13.322 -6.257 244 1HH1 ARG 29 1HH2 ARG 29 -14.621 -11.780 -4.088 245 2HH1 ARG 29 2HH2 ARG 29 -15.425 -10.600 -5.068 246 1HH2 ARG 29 1HH1 ARG 29 -13.399 -11.122 -7.832 247 2HH2 ARG 29 2HH1 ARG 29 -14.732 -10.226 -7.186 248 H ALA 30 H ALA 30 -7.614 -7.770 -4.803 249 HA ALA 30 HA ALA 30 -5.727 -8.954 -2.922 250 1HB ALA 30 1HB ALA 30 -5.716 -6.275 -4.342 251 2HB ALA 30 2HB ALA 30 -4.899 -7.743 -4.879 252 3HB ALA 30 3HB ALA 30 -4.369 -6.926 -3.409 253 H VAL 31 H VAL 31 -5.822 -8.669 -0.759 254 HA VAL 31 HA VAL 31 -7.338 -6.325 0.293 255 HB VAL 31 HB VAL 31 -7.321 -7.639 2.446 256 1HG1 VAL 31 1HG1 VAL 31 -8.510 -9.624 0.690 257 2HG1 VAL 31 2HG1 VAL 31 -8.872 -7.990 0.132 258 3HG1 VAL 31 3HG1 VAL 31 -9.301 -8.478 1.772 259 1HG2 VAL 31 1HG2 VAL 31 -6.436 -9.992 0.786 260 2HG2 VAL 31 2HG2 VAL 31 -6.455 -9.820 2.542 261 3HG2 VAL 31 3HG2 VAL 31 -5.242 -8.970 1.587 262 HA PRO 32 HA PRO 32 -3.628 -4.588 1.860 263 1HB PRO 32 2HB PRO 32 -4.574 -3.380 4.144 264 2HB PRO 32 1HB PRO 32 -4.871 -2.759 2.512 265 1HG PRO 32 2HG PRO 32 -6.741 -4.190 4.346 266 2HG PRO 32 1HG PRO 32 -7.102 -3.025 3.061 267 1HD PRO 32 2HD PRO 32 -7.389 -5.827 2.867 268 2HD PRO 32 1HD PRO 32 -7.389 -4.686 1.504 269 H LYS 33 H LYS 33 -5.503 -6.702 3.934 270 HA LYS 33 HA LYS 33 -3.582 -6.945 6.061 271 1HB LYS 33 2HB LYS 33 -5.821 -7.648 6.504 272 2HB LYS 33 1HB LYS 33 -5.847 -8.695 5.086 273 1HG LYS 33 2HG LYS 33 -3.698 -9.259 7.047 274 2HG LYS 33 1HG LYS 33 -5.340 -9.605 7.592 275 1HD LYS 33 2HD LYS 33 -5.385 -10.618 5.043 276 2HD LYS 33 1HD LYS 33 -3.724 -10.959 5.533 277 1HE LYS 33 2HE LYS 33 -5.071 -12.844 6.204 278 2HE LYS 33 1HE LYS 33 -4.649 -11.952 7.665 279 1HZ LYS 33 1HZ LYS 33 -7.192 -11.642 6.164 280 2HZ LYS 33 2HZ LYS 33 -6.786 -10.884 7.629 281 3HZ LYS 33 3HZ LYS 33 -7.008 -12.566 7.574 282 H LYS 34 H LYS 34 -4.283 -9.014 3.223 283 HA LYS 34 HA LYS 34 -2.081 -10.802 3.745 284 1HB LYS 34 2HB LYS 34 -3.926 -10.286 1.443 285 2HB LYS 34 1HB LYS 34 -2.442 -11.189 1.130 286 1HG LYS 34 2HG LYS 34 -3.281 -12.426 3.396 287 2HG LYS 34 1HG LYS 34 -4.836 -11.974 2.694 288 1HD LYS 34 2HD LYS 34 -3.809 -12.934 0.479 289 2HD LYS 34 1HD LYS 34 -2.707 -13.774 1.571 290 1HE LYS 34 2HE LYS 34 -5.736 -13.910 1.647 291 2HE LYS 34 1HE LYS 34 -4.654 -15.188 1.094 292 1HZ LYS 34 1HZ LYS 34 -4.959 -14.113 3.834 293 2HZ LYS 34 2HZ LYS 34 -3.616 -15.046 3.373 294 3HZ LYS 34 3HZ LYS 34 -5.179 -15.709 3.303 295 H ILE 35 H ILE 35 -2.440 -7.898 1.704 296 HA ILE 35 HA ILE 35 0.173 -8.086 0.547 297 HB ILE 35 HB ILE 35 -1.661 -5.736 1.032 298 1HG1 ILE 35 2HG1 ILE 35 -1.067 -7.663 -1.177 299 2HG1 ILE 35 1HG1 ILE 35 -2.606 -6.955 -0.698 300 1HG2 ILE 35 1HG2 ILE 35 0.940 -5.777 -0.536 301 2HG2 ILE 35 2HG2 ILE 35 0.748 -5.037 1.052 302 3HG2 ILE 35 3HG2 ILE 35 -0.138 -4.396 -0.331 303 1HD1 ILE 35 1HD1 ILE 35 -0.541 -5.920 -2.568 304 2HD1 ILE 35 2HD1 ILE 35 -1.341 -4.725 -1.547 305 3HD1 ILE 35 3HD1 ILE 35 -2.295 -5.748 -2.621 306 H LEU 36 H LEU 36 -0.969 -7.109 3.671 307 HA LEU 36 HA LEU 36 1.161 -5.457 4.528 308 1HB LEU 36 2HB LEU 36 -0.782 -5.854 5.960 309 2HB LEU 36 1HB LEU 36 -0.380 -7.567 6.080 310 HG LEU 36 HG LEU 36 1.871 -6.815 7.046 311 1HD1 LEU 36 1HD1 LEU 36 0.571 -4.309 7.943 312 2HD1 LEU 36 2HD1 LEU 36 1.068 -4.337 6.251 313 3HD1 LEU 36 3HD1 LEU 36 2.257 -4.616 7.525 314 1HD2 LEU 36 1HD2 LEU 36 -0.377 -7.565 8.263 315 2HD2 LEU 36 2HD2 LEU 36 -0.338 -5.901 8.847 316 3HD2 LEU 36 3HD2 LEU 36 1.008 -6.987 9.190 317 H ASP 37 H ASP 37 0.958 -8.963 4.130 318 HA ASP 37 HA ASP 37 3.615 -9.396 5.290 319 1HB ASP 37 2HB ASP 37 3.332 -11.710 4.605 320 2HB ASP 37 1HB ASP 37 1.814 -11.155 5.308 321 H LEU 38 H LEU 38 2.212 -8.781 2.150 322 HA LEU 38 HA LEU 38 4.417 -9.582 0.516 323 1HB LEU 38 2HB LEU 38 2.132 -7.649 0.196 324 2HB LEU 38 1HB LEU 38 3.415 -7.696 -1.014 325 HG LEU 38 HG LEU 38 2.232 -10.295 -0.140 326 1HD1 LEU 38 1HD1 LEU 38 0.688 -9.637 -2.319 327 2HD1 LEU 38 2HD1 LEU 38 0.741 -8.109 -1.439 328 3HD1 LEU 38 3HD1 LEU 38 0.139 -9.564 -0.645 329 1HD2 LEU 38 1HD2 LEU 38 2.745 -10.902 -2.431 330 2HD2 LEU 38 2HD2 LEU 38 4.141 -10.054 -1.769 331 3HD2 LEU 38 3HD2 LEU 38 3.036 -9.216 -2.858 332 H MET 39 H MET 39 3.759 -6.673 2.402 333 HA MET 39 HA MET 39 6.118 -5.302 1.271 334 1HB MET 39 2HB MET 39 3.883 -4.566 3.116 335 2HB MET 39 1HB MET 39 5.392 -3.662 3.245 336 1HG MET 39 2HG MET 39 5.230 -2.819 1.075 337 2HG MET 39 1HG MET 39 4.180 -4.130 0.537 338 1HE MET 39 1HE MET 39 2.783 -0.274 0.703 339 2HE MET 39 2HE MET 39 4.284 -1.082 0.256 340 3HE MET 39 3HE MET 39 4.124 -0.356 1.854 341 H ASN 40 H ASN 40 5.088 -6.769 4.344 342 HA ASN 40 HA ASN 40 6.342 -7.358 6.240 343 1HB ASN 40 2HB ASN 40 7.404 -8.703 4.261 344 2HB ASN 40 1HB ASN 40 8.740 -7.565 4.432 345 1HD2 ASN 40 1HD2 ASN 40 9.995 -7.631 6.429 346 2HD2 ASN 40 2HD2 ASN 40 9.871 -8.934 7.510 347 H VAL 41 H VAL 41 6.309 -4.509 5.261 348 HA VAL 41 HA VAL 41 8.943 -3.444 5.970 349 HB VAL 41 HB VAL 41 6.331 -1.939 5.678 350 1HG1 VAL 41 1HG1 VAL 41 9.138 -0.986 5.104 351 2HG1 VAL 41 2HG1 VAL 41 8.439 -0.872 6.719 352 3HG1 VAL 41 3HG1 VAL 41 7.688 -0.019 5.371 353 1HG2 VAL 41 1HG2 VAL 41 7.322 -3.515 3.726 354 2HG2 VAL 41 2HG2 VAL 41 8.309 -2.078 3.455 355 3HG2 VAL 41 3HG2 VAL 41 6.551 -1.964 3.388 356 H ASP 42 H ASP 42 9.447 -2.331 7.896 357 HA ASP 42 HA ASP 42 7.776 -3.086 10.212 358 1HB ASP 42 2HB ASP 42 9.659 -2.382 11.565 359 2HB ASP 42 1HB ASP 42 10.282 -3.352 10.229 360 H LYS 43 H LYS 43 6.926 -1.526 11.683 361 HA LYS 43 HA LYS 43 6.168 0.588 12.386 362 1HB LYS 43 2HB LYS 43 7.542 2.331 11.948 363 2HB LYS 43 1HB LYS 43 8.500 1.205 10.996 364 1HG LYS 43 2HG LYS 43 7.062 1.789 9.004 365 2HG LYS 43 1HG LYS 43 6.311 3.044 9.989 366 1HD LYS 43 2HD LYS 43 7.992 4.311 9.064 367 2HD LYS 43 1HD LYS 43 8.887 3.660 10.438 368 1HE LYS 43 2HE LYS 43 10.318 3.187 8.643 369 2HE LYS 43 1HE LYS 43 9.428 1.676 8.823 370 1HZ LYS 43 1HZ LYS 43 7.825 3.050 7.183 371 2HZ LYS 43 2HZ LYS 43 9.020 1.966 6.653 372 3HZ LYS 43 3HZ LYS 43 9.340 3.633 6.694 373 H LEU 44 H LEU 44 5.545 -0.981 9.523 374 HA LEU 44 HA LEU 44 3.544 0.986 8.568 375 1HB LEU 44 2HB LEU 44 4.780 -1.506 7.473 376 2HB LEU 44 1HB LEU 44 3.162 -1.081 6.918 377 HG LEU 44 HG LEU 44 5.629 0.677 6.783 378 1HD1 LEU 44 1HD1 LEU 44 5.909 -0.321 4.783 379 2HD1 LEU 44 2HD1 LEU 44 4.366 0.367 4.277 380 3HD1 LEU 44 3HD1 LEU 44 4.422 -1.245 4.990 381 1HD2 LEU 44 1HD2 LEU 44 4.178 2.408 6.781 382 2HD2 LEU 44 2HD2 LEU 44 2.795 1.315 6.807 383 3HD2 LEU 44 3HD2 LEU 44 3.528 1.774 5.269 384 H THR 45 H THR 45 1.406 0.810 9.086 385 HA THR 45 HA THR 45 0.574 -1.596 10.635 386 HB THR 45 HB THR 45 -1.111 -0.250 11.623 387 HG1 THR 45 1HG THR 45 -2.069 1.231 10.507 388 1HG2 THR 45 1HG2 THR 45 1.018 0.371 12.531 389 2HG2 THR 45 2HG2 THR 45 0.130 1.871 12.267 390 3HG2 THR 45 3HG2 THR 45 1.389 1.380 11.133 391 H ARG 46 H ARG 46 -1.617 -2.462 10.179 392 HA ARG 46 HA ARG 46 -2.040 -2.729 7.304 393 1HB ARG 46 2HB ARG 46 -3.725 -4.347 7.887 394 2HB ARG 46 1HB ARG 46 -2.377 -4.586 8.999 395 1HG ARG 46 2HG ARG 46 -3.649 -2.936 10.551 396 2HG ARG 46 1HG ARG 46 -5.044 -3.289 9.531 397 1HD ARG 46 2HD ARG 46 -4.849 -5.669 10.009 398 2HD ARG 46 1HD ARG 46 -3.365 -5.396 10.923 399 HE ARG 46 HE ARG 46 -4.721 -4.830 12.756 400 1HH1 ARG 46 1HH2 ARG 46 -7.035 -6.116 11.174 401 2HH1 ARG 46 2HH2 ARG 46 -8.236 -4.873 11.306 402 1HH2 ARG 46 1HH1 ARG 46 -5.987 -2.441 12.333 403 2HH2 ARG 46 2HH1 ARG 46 -7.641 -2.793 11.961 404 H GLU 47 H GLU 47 -3.317 -0.757 9.853 405 HA GLU 47 HA GLU 47 -5.837 -0.128 8.556 406 1HB GLU 47 2HB GLU 47 -4.343 0.775 10.944 407 2HB GLU 47 1HB GLU 47 -5.369 2.002 10.199 408 1HG GLU 47 2HG GLU 47 -6.911 -0.347 10.191 409 2HG GLU 47 1HG GLU 47 -6.140 -0.303 11.777 410 H ASN 48 H ASN 48 -2.566 1.150 8.422 411 HA ASN 48 HA ASN 48 -3.254 3.633 7.117 412 1HB ASN 48 2HB ASN 48 -0.698 2.026 7.308 413 2HB ASN 48 1HB ASN 48 -0.791 3.539 6.404 414 1HD2 ASN 48 1HD2 ASN 48 -2.278 5.219 7.949 415 2HD2 ASN 48 2HD2 ASN 48 -1.606 5.401 9.498 416 H VAL 49 H VAL 49 -2.420 0.387 5.955 417 HA VAL 49 HA VAL 49 -2.518 1.245 3.149 418 HB VAL 49 HB VAL 49 -2.541 -1.608 4.143 419 1HG1 VAL 49 1HG1 VAL 49 -2.420 -0.340 1.600 420 2HG1 VAL 49 2HG1 VAL 49 -2.267 -2.061 1.957 421 3HG1 VAL 49 3HG1 VAL 49 -0.830 -1.040 1.905 422 1HG2 VAL 49 1HG2 VAL 49 -0.589 0.386 4.742 423 2HG2 VAL 49 2HG2 VAL 49 0.108 -0.692 3.532 424 3HG2 VAL 49 3HG2 VAL 49 -0.497 -1.348 5.054 425 H ALA 50 H ALA 50 -4.674 -0.094 5.536 426 HA ALA 50 HA ALA 50 -6.646 -1.022 3.599 427 1HB ALA 50 1HB ALA 50 -7.433 -0.398 6.407 428 2HB ALA 50 2HB ALA 50 -6.234 -1.669 6.168 429 3HB ALA 50 3HB ALA 50 -7.823 -1.805 5.417 430 H SER 51 H SER 51 -5.862 1.980 5.133 431 HA SER 51 HA SER 51 -8.498 3.182 4.749 432 1HB SER 51 2HB SER 51 -5.820 4.512 5.261 433 2HB SER 51 1HB SER 51 -7.404 5.265 5.427 434 HG SER 51 HG SER 51 -6.646 4.522 7.433 435 H HIS 52 H HIS 52 -5.350 3.304 3.088 436 HA HIS 52 HA HIS 52 -6.196 5.171 1.065 437 1HB HIS 52 2HB HIS 52 -3.797 4.532 1.680 438 2HB HIS 52 1HB HIS 52 -4.051 3.061 0.740 439 HD1 HIS 52 1HD HIS 52 -2.697 6.296 0.321 440 HD2 HIS 52 2HD HIS 52 -5.231 3.945 -2.009 441 HE1 HIS 52 1HE HIS 52 -2.565 7.218 -2.035 442 H LEU 53 H LEU 53 -6.525 1.709 1.453 443 HA LEU 53 HA LEU 53 -7.184 1.173 -1.327 444 1HB LEU 53 2HB LEU 53 -6.352 -0.628 0.094 445 2HB LEU 53 1HB LEU 53 -7.704 -0.413 1.206 446 HG LEU 53 HG LEU 53 -9.152 -0.797 -0.971 447 1HD1 LEU 53 1HD1 LEU 53 -6.670 -1.001 -2.103 448 2HD1 LEU 53 2HD1 LEU 53 -8.124 -1.746 -2.768 449 3HD1 LEU 53 3HD1 LEU 53 -7.029 -2.693 -1.762 450 1HD2 LEU 53 1HD2 LEU 53 -9.251 -2.266 0.957 451 2HD2 LEU 53 2HD2 LEU 53 -7.683 -2.966 0.557 452 3HD2 LEU 53 3HD2 LEU 53 -9.076 -3.267 -0.483 453 H GLN 54 H GLN 54 -9.041 1.843 1.626 454 HA GLN 54 HA GLN 54 -11.625 1.380 0.441 455 1HB GLN 54 2HB GLN 54 -10.608 2.738 2.908 456 2HB GLN 54 1HB GLN 54 -12.266 3.064 2.398 457 1HG GLN 54 2HG GLN 54 -12.832 0.724 2.476 458 2HG GLN 54 1HG GLN 54 -11.145 0.270 2.721 459 1HE2 GLN 54 1HE2 GLN 54 -12.611 3.064 4.347 460 2HE2 GLN 54 2HE2 GLN 54 -12.569 2.397 5.907 461 H LYS 55 H LYS 55 -9.600 4.280 0.820 462 HA LYS 55 HA LYS 55 -11.564 6.065 -0.346 463 1HB LYS 55 2HB LYS 55 -8.659 6.243 0.374 464 2HB LYS 55 1HB LYS 55 -9.342 7.465 -0.700 465 1HG LYS 55 2HG LYS 55 -10.729 8.327 0.933 466 2HG LYS 55 1HG LYS 55 -10.871 6.783 1.774 467 1HD LYS 55 2HD LYS 55 -8.159 7.399 1.962 468 2HD LYS 55 1HD LYS 55 -8.965 8.949 2.202 469 1HE LYS 55 2HE LYS 55 -9.727 6.413 3.676 470 2HE LYS 55 1HE LYS 55 -8.634 7.636 4.327 471 1HZ LYS 55 1HZ LYS 55 -10.621 9.198 3.657 472 2HZ LYS 55 2HZ LYS 55 -10.595 8.389 5.150 473 3HZ LYS 55 3HZ LYS 55 -11.518 7.774 3.863 474 H PHE 56 H PHE 56 -8.954 4.065 -1.607 475 HA PHE 56 HA PHE 56 -8.840 5.255 -4.221 476 1HB PHE 56 2HB PHE 56 -7.103 3.703 -3.310 477 2HB PHE 56 1HB PHE 56 -8.259 2.378 -3.446 478 HD1 PHE 56 1HD PHE 56 -7.369 1.016 -5.164 479 HD2 PHE 56 2HD PHE 56 -7.727 5.254 -5.764 480 HE1 PHE 56 1HE PHE 56 -6.763 0.730 -7.552 481 HE2 PHE 56 2HE PHE 56 -7.121 4.968 -8.152 482 HZ PHE 56 HZ PHE 56 -6.639 2.705 -9.046 483 H ARG 57 H ARG 57 -10.733 2.522 -2.908 484 HA ARG 57 HA ARG 57 -11.991 1.763 -5.344 485 1HB ARG 57 2HB ARG 57 -13.295 1.767 -2.603 486 2HB ARG 57 1HB ARG 57 -13.690 0.724 -3.968 487 1HG ARG 57 2HG ARG 57 -10.855 0.652 -3.142 488 2HG ARG 57 1HG ARG 57 -11.988 0.017 -1.949 489 1HD ARG 57 2HD ARG 57 -12.970 -1.459 -3.676 490 2HD ARG 57 1HD ARG 57 -11.812 -0.841 -4.853 491 HE ARG 57 HE ARG 57 -10.384 -1.827 -2.583 492 1HH1 ARG 57 1HH1 ARG 57 -11.863 -2.626 -5.568 493 2HH1 ARG 57 2HH1 ARG 57 -11.308 -4.267 -5.568 494 1HH2 ARG 57 1HH2 ARG 57 -9.851 -4.053 -2.429 495 2HH2 ARG 57 2HH2 ARG 57 -10.171 -5.075 -3.790 496 H VAL 58 H VAL 58 -12.814 4.260 -2.954 497 HA VAL 58 HA VAL 58 -15.251 5.107 -4.225 498 HB VAL 58 HB VAL 58 -13.288 6.509 -2.389 499 1HG1 VAL 58 1HG1 VAL 58 -15.381 7.642 -4.060 500 2HG1 VAL 58 2HG1 VAL 58 -14.209 8.466 -3.033 501 3HG1 VAL 58 3HG1 VAL 58 -15.729 7.891 -2.350 502 1HG2 VAL 58 1HG2 VAL 58 -15.936 6.257 -1.358 503 2HG2 VAL 58 2HG2 VAL 58 -14.475 5.441 -0.800 504 3HG2 VAL 58 3HG2 VAL 58 -15.483 4.695 -2.040 505 H ALA 59 H ALA 59 -11.848 5.884 -4.662 506 HA ALA 59 HA ALA 59 -12.367 8.012 -6.596 507 1HB ALA 59 1HB ALA 59 -10.321 8.094 -5.262 508 2HB ALA 59 2HB ALA 59 -9.897 7.896 -6.963 509 3HB ALA 59 3HB ALA 59 -9.833 6.513 -5.871 510 H LEU 60 H LEU 60 -12.376 4.628 -6.639 511 HA LEU 60 HA LEU 60 -11.551 4.364 -9.453 512 1HB LEU 60 2HB LEU 60 -12.258 2.515 -7.215 513 2HB LEU 60 1HB LEU 60 -12.486 1.925 -8.859 514 HG LEU 60 HG LEU 60 -9.908 3.206 -7.928 515 1HD1 LEU 60 1HD1 LEU 60 -9.654 0.384 -8.314 516 2HD1 LEU 60 2HD1 LEU 60 -10.982 0.663 -7.187 517 3HD1 LEU 60 3HD1 LEU 60 -9.379 1.310 -6.839 518 1HD2 LEU 60 1HD2 LEU 60 -10.844 2.676 -10.452 519 2HD2 LEU 60 2HD2 LEU 60 -9.969 1.190 -10.085 520 3HD2 LEU 60 3HD2 LEU 60 -9.135 2.743 -10.021 521 H LYS 61 H LYS 61 -14.387 5.092 -7.729 522 HA LYS 61 HA LYS 61 -16.010 4.498 -10.165 523 1HB LYS 61 2HB LYS 61 -17.897 3.849 -8.739 524 2HB LYS 61 1HB LYS 61 -16.503 2.827 -8.387 525 1HG LYS 61 2HG LYS 61 -15.967 4.125 -6.415 526 2HG LYS 61 1HG LYS 61 -17.206 5.317 -6.810 527 1HD LYS 61 2HD LYS 61 -17.951 2.422 -6.459 528 2HD LYS 61 1HD LYS 61 -17.763 3.468 -5.051 529 1HE LYS 61 2HE LYS 61 -19.287 4.940 -6.922 530 2HE LYS 61 1HE LYS 61 -19.971 3.314 -6.901 531 1HZ LYS 61 1HZ LYS 61 -20.752 5.052 -5.175 532 2HZ LYS 61 2HZ LYS 61 -19.311 4.656 -4.367 533 3HZ LYS 61 3HZ LYS 61 -20.472 3.455 -4.678 534 H LYS 62 H LYS 62 -14.760 6.869 -8.326 535 HA LYS 62 HA LYS 62 -17.182 8.603 -8.619 536 1HB LYS 62 2HB LYS 62 -16.248 8.196 -6.263 537 2HB LYS 62 1HB LYS 62 -14.853 9.149 -6.771 538 1HG LYS 62 2HG LYS 62 -15.995 11.046 -6.391 539 2HG LYS 62 1HG LYS 62 -17.224 10.546 -7.554 540 1HD LYS 62 2HD LYS 62 -17.627 8.996 -5.207 541 2HD LYS 62 1HD LYS 62 -17.426 10.672 -4.693 542 1HE LYS 62 2HE LYS 62 -19.048 11.105 -6.774 543 2HE LYS 62 1HE LYS 62 -19.548 9.454 -6.402 544 1HZ LYS 62 1HZ LYS 62 -20.364 11.745 -5.127 545 2HZ LYS 62 2HZ LYS 62 -19.283 11.013 -4.039 546 3HZ LYS 62 3HZ LYS 62 -20.630 10.150 -4.614 547 H VAL 63 H VAL 63 -14.013 7.997 -9.702 548 HA VAL 63 HA VAL 63 -13.293 10.734 -10.371 549 HB VAL 63 HB VAL 63 -11.535 9.079 -10.102 550 1HG1 VAL 63 1HG1 VAL 63 -11.369 7.232 -11.842 551 2HG1 VAL 63 2HG1 VAL 63 -13.021 7.632 -12.308 552 3HG1 VAL 63 3HG1 VAL 63 -12.683 7.050 -10.679 553 1HG2 VAL 63 1HG2 VAL 63 -10.322 10.086 -11.718 554 2HG2 VAL 63 2HG2 VAL 63 -11.828 10.769 -12.331 555 3HG2 VAL 63 3HG2 VAL 63 -11.219 9.248 -12.984 556 H SER 64 H SER 64 -13.873 11.868 -12.174 557 HA SER 64 HA SER 64 -15.093 12.375 -14.120 558 1HB SER 64 2HB SER 64 -14.471 11.079 -16.035 559 2HB SER 64 1HB SER 64 -13.072 11.066 -14.966 560 HG SER 64 HG SER 64 -14.712 9.023 -15.768 Start of MODEL 10 1 1H THR 1 1HT THR 1 20.771 18.142 5.280 2 2H THR 1 2HT THR 1 19.724 18.948 6.348 3 3H THR 1 3HT THR 1 20.863 19.828 5.446 4 HA THR 1 HA THR 1 18.440 19.839 4.661 5 HB THR 1 HB THR 1 20.278 20.744 3.326 6 HG1 THR 1 1HG THR 1 19.480 19.746 1.208 7 1HG2 THR 1 1HG2 THR 1 22.014 19.428 2.783 8 2HG2 THR 1 2HG2 THR 1 20.966 18.517 1.696 9 3HG2 THR 1 3HG2 THR 1 21.144 18.012 3.375 10 H ALA 2 H ALA 2 18.476 17.301 5.908 11 HA ALA 2 HA ALA 2 17.653 15.119 5.635 12 1HB ALA 2 1HB ALA 2 16.169 15.070 3.365 13 2HB ALA 2 2HB ALA 2 16.264 16.811 3.632 14 3HB ALA 2 3HB ALA 2 15.590 15.762 4.880 15 H GLN 3 H GLN 3 17.467 13.302 3.805 16 HA GLN 3 HA GLN 3 20.002 13.457 2.224 17 1HB GLN 3 2HB GLN 3 18.856 11.391 3.972 18 2HB GLN 3 1HB GLN 3 19.365 10.773 2.399 19 1HG GLN 3 2HG GLN 3 21.595 11.647 2.696 20 2HG GLN 3 1HG GLN 3 21.116 12.507 4.160 21 1HE2 GLN 3 1HE2 GLN 3 22.367 9.530 2.979 22 2HE2 GLN 3 2HE2 GLN 3 22.231 8.643 4.419 23 H LYS 4 H LYS 4 17.873 14.562 0.970 24 HA LYS 4 HA LYS 4 16.370 14.345 -0.839 25 1HB LYS 4 2HB LYS 4 18.668 12.508 -1.554 26 2HB LYS 4 1HB LYS 4 17.363 12.882 -2.680 27 1HG LYS 4 2HG LYS 4 18.035 15.385 -1.799 28 2HG LYS 4 1HG LYS 4 19.603 14.575 -1.771 29 1HD LYS 4 2HD LYS 4 19.385 13.932 -4.095 30 2HD LYS 4 1HD LYS 4 17.727 14.533 -4.150 31 1HE LYS 4 2HE LYS 4 18.506 16.559 -4.736 32 2HE LYS 4 1HE LYS 4 19.347 16.661 -3.189 33 1HZ LYS 4 1HZ LYS 4 20.778 16.862 -5.219 34 2HZ LYS 4 2HZ LYS 4 20.453 15.224 -5.532 35 3HZ LYS 4 3HZ LYS 4 21.262 15.675 -4.108 36 H LYS 5 H LYS 5 15.310 12.943 1.211 37 HA LYS 5 HA LYS 5 13.899 10.794 -0.154 38 1HB LYS 5 2HB LYS 5 15.834 9.499 0.462 39 2HB LYS 5 1HB LYS 5 15.813 10.151 2.101 40 1HG LYS 5 2HG LYS 5 14.349 8.577 2.766 41 2HG LYS 5 1HG LYS 5 13.238 9.004 1.463 42 1HD LYS 5 2HD LYS 5 13.799 6.739 1.041 43 2HD LYS 5 1HD LYS 5 14.809 7.659 -0.076 44 1HE LYS 5 2HE LYS 5 16.741 7.390 1.281 45 2HE LYS 5 1HE LYS 5 15.789 6.860 2.668 46 1HZ LYS 5 1HZ LYS 5 15.208 4.857 1.499 47 2HZ LYS 5 2HZ LYS 5 16.899 5.018 1.521 48 3HZ LYS 5 3HZ LYS 5 16.028 5.375 0.107 49 HA PRO 6 HA PRO 6 11.289 12.732 2.978 50 1HB PRO 6 2HB PRO 6 8.946 12.170 1.653 51 2HB PRO 6 1HB PRO 6 9.966 13.572 1.286 52 1HG PRO 6 2HG PRO 6 9.636 11.036 -0.252 53 2HG PRO 6 1HG PRO 6 10.086 12.650 -0.829 54 1HD PRO 6 2HD PRO 6 11.867 10.499 -0.395 55 2HD PRO 6 1HD PRO 6 12.324 12.201 -0.625 56 H ARG 7 H ARG 7 9.772 11.806 4.517 57 HA ARG 7 HA ARG 7 10.215 9.275 5.485 58 1HB ARG 7 2HB ARG 7 8.668 11.103 6.427 59 2HB ARG 7 1HB ARG 7 7.408 10.391 5.418 60 1HG ARG 7 2HG ARG 7 7.081 8.752 6.920 61 2HG ARG 7 1HG ARG 7 8.782 8.293 6.824 62 1HD ARG 7 2HD ARG 7 8.851 8.963 8.999 63 2HD ARG 7 1HD ARG 7 8.939 10.584 8.310 64 HE ARG 7 HE ARG 7 6.280 10.330 8.460 65 1HH1 ARG 7 1HH1 ARG 7 8.626 10.792 10.742 66 2HH1 ARG 7 2HH1 ARG 7 7.684 10.286 12.104 67 1HH2 ARG 7 1HH2 ARG 7 5.091 9.026 10.179 68 2HH2 ARG 7 2HH2 ARG 7 5.683 9.286 11.785 69 H VAL 8 H VAL 8 10.369 7.517 4.128 70 HA VAL 8 HA VAL 8 8.657 7.066 1.871 71 HB VAL 8 HB VAL 8 10.692 5.477 3.379 72 1HG1 VAL 8 1HG1 VAL 8 9.213 3.677 3.194 73 2HG1 VAL 8 2HG1 VAL 8 10.086 3.578 1.666 74 3HG1 VAL 8 3HG1 VAL 8 8.480 4.303 1.717 75 1HG2 VAL 8 1HG2 VAL 8 10.254 5.775 0.405 76 2HG2 VAL 8 2HG2 VAL 8 11.753 5.391 1.253 77 3HG2 VAL 8 3HG2 VAL 8 11.072 7.015 1.357 78 H LEU 9 H LEU 9 6.507 7.340 2.691 79 HA LEU 9 HA LEU 9 5.562 5.137 4.475 80 1HB LEU 9 2HB LEU 9 5.270 7.627 5.129 81 2HB LEU 9 1HB LEU 9 4.050 7.674 3.858 82 HG LEU 9 HG LEU 9 3.099 5.542 5.032 83 1HD1 LEU 9 1HD1 LEU 9 4.831 5.071 6.601 84 2HD1 LEU 9 2HD1 LEU 9 3.514 5.753 7.557 85 3HD1 LEU 9 3HD1 LEU 9 4.907 6.750 7.135 86 1HD2 LEU 9 1HD2 LEU 9 1.998 7.775 4.941 87 2HD2 LEU 9 2HD2 LEU 9 2.904 8.259 6.375 88 3HD2 LEU 9 3HD2 LEU 9 1.715 6.961 6.480 89 H TRP 10 H TRP 10 5.230 6.747 1.410 90 HA TRP 10 HA TRP 10 3.850 4.508 0.213 91 1HB TRP 10 2HB TRP 10 2.288 6.967 0.985 92 2HB TRP 10 1HB TRP 10 1.844 6.055 -0.458 93 HD1 TRP 10 HD TRP 10 0.805 6.262 2.913 94 HE1 TRP 10 1HE TRP 10 -0.111 4.031 3.824 95 HE3 TRP 10 3HE TRP 10 2.624 3.055 -0.621 96 HZ2 TRP 10 2HZ TRP 10 -0.075 1.253 3.143 97 HZ3 TRP 10 3HZ TRP 10 2.169 0.624 -0.466 98 HH2 TRP 10 HH TRP 10 0.823 -0.280 1.411 99 H THR 11 H THR 11 6.132 5.397 -0.671 100 HA THR 11 HA THR 11 5.526 7.370 -2.844 101 HB THR 11 HB THR 11 8.058 7.664 -2.889 102 HG1 THR 11 1HG THR 11 9.073 6.270 -1.714 103 1HG2 THR 11 1HG2 THR 11 7.149 9.490 -1.866 104 2HG2 THR 11 2HG2 THR 11 7.873 8.778 -0.424 105 3HG2 THR 11 3HG2 THR 11 6.164 8.515 -0.775 106 H HIS 12 H HIS 12 7.152 6.980 -4.778 107 HA HIS 12 HA HIS 12 6.466 4.635 -6.115 108 1HB HIS 12 2HB HIS 12 7.536 6.459 -7.295 109 2HB HIS 12 1HB HIS 12 9.011 6.258 -6.349 110 HD1 HIS 12 1HD HIS 12 10.442 4.094 -6.811 111 HD2 HIS 12 2HD HIS 12 7.247 4.640 -9.431 112 HE1 HIS 12 1HE HIS 12 10.831 2.517 -8.754 113 H GLU 13 H GLU 13 8.790 5.022 -3.562 114 HA GLU 13 HA GLU 13 10.233 2.554 -4.139 115 1HB GLU 13 2HB GLU 13 11.037 4.634 -2.801 116 2HB GLU 13 1HB GLU 13 10.146 3.923 -1.458 117 1HG GLU 13 2HG GLU 13 12.347 3.068 -1.229 118 2HG GLU 13 1HG GLU 13 11.435 1.756 -1.976 119 H LEU 14 H LEU 14 7.866 3.557 -1.654 120 HA LEU 14 HA LEU 14 7.542 0.777 -0.774 121 1HB LEU 14 2HB LEU 14 6.619 3.447 0.142 122 2HB LEU 14 1HB LEU 14 5.591 2.076 0.549 123 HG LEU 14 HG LEU 14 8.549 2.335 1.157 124 1HD1 LEU 14 1HD1 LEU 14 6.167 2.161 3.025 125 2HD1 LEU 14 2HD1 LEU 14 6.957 3.674 2.581 126 3HD1 LEU 14 3HD1 LEU 14 7.847 2.444 3.478 127 1HD2 LEU 14 1HD2 LEU 14 8.374 0.052 0.945 128 2HD2 LEU 14 2HD2 LEU 14 6.631 0.056 1.214 129 3HD2 LEU 14 3HD2 LEU 14 7.735 0.201 2.583 130 H HIS 15 H HIS 15 5.254 3.238 -2.021 131 HA HIS 15 HA HIS 15 3.027 1.606 -2.377 132 1HB HIS 15 2HB HIS 15 3.103 4.077 -2.789 133 2HB HIS 15 1HB HIS 15 3.926 3.756 -4.316 134 HD1 HIS 15 1HD HIS 15 2.528 1.989 -5.936 135 HD2 HIS 15 2HD HIS 15 0.353 4.057 -3.043 136 HE1 HIS 15 1HE HIS 15 0.096 1.851 -6.632 137 H ASN 16 H ASN 16 6.007 1.564 -4.144 138 HA ASN 16 HA ASN 16 4.955 0.227 -6.499 139 1HB ASN 16 2HB ASN 16 7.661 0.842 -5.415 140 2HB ASN 16 1HB ASN 16 7.537 -0.465 -6.594 141 1HD2 ASN 16 1HD2 ASN 16 7.934 0.330 -8.658 142 2HD2 ASN 16 2HD2 ASN 16 7.410 1.834 -9.243 143 H LYS 17 H LYS 17 6.533 -0.912 -3.512 144 HA LYS 17 HA LYS 17 6.614 -3.674 -4.270 145 1HB LYS 17 2HB LYS 17 6.398 -2.454 -1.498 146 2HB LYS 17 1HB LYS 17 6.880 -4.113 -1.855 147 1HG LYS 17 2HG LYS 17 8.823 -3.291 -3.121 148 2HG LYS 17 1HG LYS 17 8.338 -1.625 -2.796 149 1HD LYS 17 2HD LYS 17 9.011 -1.712 -0.601 150 2HD LYS 17 1HD LYS 17 8.610 -3.421 -0.438 151 1HE LYS 17 2HE LYS 17 10.878 -3.683 -0.506 152 2HE LYS 17 1HE LYS 17 10.627 -3.577 -2.248 153 1HZ LYS 17 1HZ LYS 17 10.858 -1.045 -0.856 154 2HZ LYS 17 2HZ LYS 17 11.516 -1.534 -2.344 155 3HZ LYS 17 3HZ LYS 17 12.271 -1.983 -0.890 156 H PHE 18 H PHE 18 4.138 -1.679 -2.718 157 HA PHE 18 HA PHE 18 2.372 -3.873 -2.087 158 1HB PHE 18 2HB PHE 18 2.142 -1.709 -0.967 159 2HB PHE 18 1HB PHE 18 1.797 -0.924 -2.508 160 HD1 PHE 18 1HD PHE 18 -0.312 -1.399 -3.723 161 HD2 PHE 18 2HD PHE 18 0.476 -3.038 0.170 162 HE1 PHE 18 1HE PHE 18 -2.714 -1.964 -3.474 163 HE2 PHE 18 2HE PHE 18 -1.926 -3.603 0.418 164 HZ PHE 18 HZ PHE 18 -3.521 -3.065 -1.403 165 H LEU 19 H LEU 19 2.850 -1.834 -4.926 166 HA LEU 19 HA LEU 19 0.440 -2.665 -6.284 167 1HB LEU 19 2HB LEU 19 2.956 -1.242 -7.041 168 2HB LEU 19 1HB LEU 19 1.986 -1.939 -8.338 169 HG LEU 19 HG LEU 19 1.003 0.004 -6.227 170 1HD1 LEU 19 1HD1 LEU 19 2.027 1.425 -7.706 171 2HD1 LEU 19 2HD1 LEU 19 0.533 1.184 -8.611 172 3HD1 LEU 19 3HD1 LEU 19 1.975 0.256 -9.026 173 1HD2 LEU 19 1HD2 LEU 19 -0.400 -1.931 -7.793 174 2HD2 LEU 19 2HD2 LEU 19 -0.780 -0.336 -8.443 175 3HD2 LEU 19 3HD2 LEU 19 -1.078 -0.688 -6.740 176 H ALA 20 H ALA 20 3.842 -3.759 -6.466 177 HA ALA 20 HA ALA 20 3.303 -5.777 -8.454 178 1HB ALA 20 1HB ALA 20 5.515 -6.703 -7.762 179 2HB ALA 20 2HB ALA 20 5.549 -5.554 -6.425 180 3HB ALA 20 3HB ALA 20 5.583 -4.971 -8.090 181 H ALA 21 H ALA 21 3.123 -5.704 -4.941 182 HA ALA 21 HA ALA 21 2.914 -8.576 -4.626 183 1HB ALA 21 1HB ALA 21 3.496 -7.429 -2.650 184 2HB ALA 21 2HB ALA 21 1.801 -7.842 -2.392 185 3HB ALA 21 3HB ALA 21 2.246 -6.207 -2.883 186 H VAL 22 H VAL 22 0.558 -5.941 -5.001 187 HA VAL 22 HA VAL 22 -1.796 -7.531 -4.626 188 HB VAL 22 HB VAL 22 -1.507 -5.134 -6.456 189 1HG1 VAL 22 1HG1 VAL 22 -3.887 -5.679 -4.742 190 2HG1 VAL 22 2HG1 VAL 22 -3.654 -6.705 -6.158 191 3HG1 VAL 22 3HG1 VAL 22 -3.799 -4.958 -6.349 192 1HG2 VAL 22 1HG2 VAL 22 -2.479 -4.628 -3.752 193 2HG2 VAL 22 2HG2 VAL 22 -1.232 -3.785 -4.670 194 3HG2 VAL 22 3HG2 VAL 22 -0.826 -5.241 -3.760 195 H ASP 23 H ASP 23 -0.036 -6.571 -7.559 196 HA ASP 23 HA ASP 23 -1.683 -7.920 -9.440 197 1HB ASP 23 2HB ASP 23 0.285 -6.281 -9.813 198 2HB ASP 23 1HB ASP 23 1.310 -7.704 -9.705 199 H HIS 24 H HIS 24 1.177 -9.015 -7.656 200 HA HIS 24 HA HIS 24 1.352 -11.611 -8.820 201 1HB HIS 24 2HB HIS 24 3.143 -10.607 -7.436 202 2HB HIS 24 1HB HIS 24 2.114 -10.756 -6.012 203 HD1 HIS 24 1HD HIS 24 2.086 -12.990 -4.839 204 HD2 HIS 24 2HD HIS 24 3.862 -13.214 -8.603 205 HE1 HIS 24 1HE HIS 24 3.061 -15.319 -5.032 206 H LEU 25 H LEU 25 -0.853 -10.312 -6.455 207 HA LEU 25 HA LEU 25 -1.825 -13.080 -5.871 208 1HB LEU 25 2HB LEU 25 -2.588 -10.579 -4.365 209 2HB LEU 25 1HB LEU 25 -2.722 -12.255 -3.834 210 HG LEU 25 HG LEU 25 -0.005 -11.234 -4.540 211 1HD1 LEU 25 1HD1 LEU 25 0.206 -9.818 -2.775 212 2HD1 LEU 25 2HD1 LEU 25 -0.808 -10.816 -1.732 213 3HD1 LEU 25 3HD1 LEU 25 -1.550 -9.700 -2.879 214 1HD2 LEU 25 1HD2 LEU 25 -0.113 -12.653 -2.091 215 2HD2 LEU 25 2HD2 LEU 25 0.462 -13.251 -3.647 216 3HD2 LEU 25 3HD2 LEU 25 -1.225 -13.474 -3.186 217 H GLY 26 H GLY 26 -2.498 -10.490 -7.851 218 1HA GLY 26 2HA GLY 26 -4.392 -10.244 -9.265 219 2HA GLY 26 1HA GLY 26 -5.234 -11.459 -8.300 220 H VAL 27 H VAL 27 -4.936 -8.140 -8.896 221 HA VAL 27 HA VAL 27 -5.503 -6.929 -6.422 222 HB VAL 27 HB VAL 27 -5.085 -5.554 -8.358 223 1HG1 VAL 27 1HG1 VAL 27 -7.641 -6.740 -9.484 224 2HG1 VAL 27 2HG1 VAL 27 -6.008 -7.096 -10.047 225 3HG1 VAL 27 3HG1 VAL 27 -6.677 -5.476 -10.246 226 1HG2 VAL 27 1HG2 VAL 27 -6.952 -4.961 -6.537 227 2HG2 VAL 27 2HG2 VAL 27 -7.998 -5.010 -7.957 228 3HG2 VAL 27 3HG2 VAL 27 -6.633 -3.895 -7.905 229 H GLU 28 H GLU 28 -7.464 -9.042 -8.311 230 HA GLU 28 HA GLU 28 -10.050 -8.201 -7.387 231 1HB GLU 28 2HB GLU 28 -9.685 -9.718 -9.333 232 2HB GLU 28 1HB GLU 28 -9.168 -10.982 -8.215 233 1HG GLU 28 2HG GLU 28 -11.343 -11.576 -8.086 234 2HG GLU 28 1HG GLU 28 -11.580 -10.106 -7.140 235 H ARG 29 H ARG 29 -7.755 -10.652 -6.159 236 HA ARG 29 HA ARG 29 -9.409 -10.750 -3.664 237 1HB ARG 29 2HB ARG 29 -7.925 -12.845 -5.191 238 2HB ARG 29 1HB ARG 29 -7.982 -12.992 -3.434 239 1HG ARG 29 2HG ARG 29 -10.391 -12.976 -3.435 240 2HG ARG 29 1HG ARG 29 -10.440 -12.568 -5.150 241 1HD ARG 29 2HD ARG 29 -9.769 -14.704 -5.816 242 2HD ARG 29 1HD ARG 29 -9.025 -15.064 -4.258 243 HE ARG 29 HE ARG 29 -11.985 -14.779 -4.409 244 1HH1 ARG 29 1HH1 ARG 29 -9.454 -17.007 -4.722 245 2HH1 ARG 29 2HH1 ARG 29 -10.128 -18.170 -3.630 246 1HH2 ARG 29 1HH2 ARG 29 -12.731 -16.112 -2.627 247 2HH2 ARG 29 2HH2 ARG 29 -11.985 -17.664 -2.445 248 H ALA 30 H ALA 30 -6.859 -9.143 -4.666 249 HA ALA 30 HA ALA 30 -4.869 -9.939 -2.672 250 1HB ALA 30 1HB ALA 30 -5.077 -7.681 -4.660 251 2HB ALA 30 2HB ALA 30 -3.921 -9.012 -4.627 252 3HB ALA 30 3HB ALA 30 -3.802 -7.712 -3.442 253 H VAL 31 H VAL 31 -5.364 -9.530 -0.563 254 HA VAL 31 HA VAL 31 -6.795 -7.006 0.104 255 HB VAL 31 HB VAL 31 -6.817 -8.131 2.440 256 1HG1 VAL 31 1HG1 VAL 31 -8.631 -9.798 1.559 257 2HG1 VAL 31 2HG1 VAL 31 -8.299 -9.062 -0.009 258 3HG1 VAL 31 3HG1 VAL 31 -8.881 -8.068 1.328 259 1HG2 VAL 31 1HG2 VAL 31 -5.071 -9.867 1.251 260 2HG2 VAL 31 2HG2 VAL 31 -6.593 -10.739 1.063 261 3HG2 VAL 31 3HG2 VAL 31 -6.040 -10.263 2.670 262 HA PRO 32 HA PRO 32 -3.156 -5.201 1.754 263 1HB PRO 32 2HB PRO 32 -4.219 -3.740 3.829 264 2HB PRO 32 1HB PRO 32 -4.386 -3.284 2.124 265 1HG PRO 32 2HG PRO 32 -6.416 -4.481 3.957 266 2HG PRO 32 1HG PRO 32 -6.656 -3.439 2.544 267 1HD PRO 32 2HD PRO 32 -7.021 -6.237 2.596 268 2HD PRO 32 1HD PRO 32 -6.878 -5.238 1.133 269 H LYS 33 H LYS 33 -5.253 -6.996 3.927 270 HA LYS 33 HA LYS 33 -3.453 -7.079 6.171 271 1HB LYS 33 2HB LYS 33 -5.751 -7.625 6.561 272 2HB LYS 33 1HB LYS 33 -5.748 -8.841 5.286 273 1HG LYS 33 2HG LYS 33 -3.752 -9.199 7.462 274 2HG LYS 33 1HG LYS 33 -5.442 -9.484 7.883 275 1HD LYS 33 2HD LYS 33 -5.446 -10.854 5.619 276 2HD LYS 33 1HD LYS 33 -3.708 -10.938 5.916 277 1HE LYS 33 2HE LYS 33 -3.995 -12.486 7.528 278 2HE LYS 33 1HE LYS 33 -5.183 -11.476 8.353 279 1HZ LYS 33 1HZ LYS 33 -5.907 -12.955 5.909 280 2HZ LYS 33 2HZ LYS 33 -6.917 -12.378 7.148 281 3HZ LYS 33 3HZ LYS 33 -5.923 -13.729 7.417 282 H LYS 34 H LYS 34 -4.100 -9.382 3.509 283 HA LYS 34 HA LYS 34 -2.022 -11.211 4.345 284 1HB LYS 34 2HB LYS 34 -3.569 -10.845 1.774 285 2HB LYS 34 1HB LYS 34 -2.284 -12.046 1.919 286 1HG LYS 34 2HG LYS 34 -4.127 -12.118 4.185 287 2HG LYS 34 1HG LYS 34 -4.941 -12.419 2.650 288 1HD LYS 34 2HD LYS 34 -2.342 -13.800 3.032 289 2HD LYS 34 1HD LYS 34 -3.671 -14.360 4.047 290 1HE LYS 34 2HE LYS 34 -3.949 -14.002 1.057 291 2HE LYS 34 1HE LYS 34 -3.441 -15.523 1.788 292 1HZ LYS 34 1HZ LYS 34 -5.586 -15.965 2.044 293 2HZ LYS 34 2HZ LYS 34 -6.046 -14.387 1.613 294 3HZ LYS 34 3HZ LYS 34 -5.641 -14.748 3.223 295 H ILE 35 H ILE 35 -2.170 -8.585 1.927 296 HA ILE 35 HA ILE 35 0.519 -9.009 1.007 297 HB ILE 35 HB ILE 35 -1.278 -6.576 0.929 298 1HG1 ILE 35 2HG1 ILE 35 -0.721 -8.943 -0.805 299 2HG1 ILE 35 1HG1 ILE 35 -2.235 -8.087 -0.536 300 1HG2 ILE 35 1HG2 ILE 35 1.060 -6.814 -0.903 301 2HG2 ILE 35 2HG2 ILE 35 1.419 -6.379 0.766 302 3HG2 ILE 35 3HG2 ILE 35 0.334 -5.375 -0.191 303 1HD1 ILE 35 1HD1 ILE 35 -1.432 -6.222 -1.940 304 2HD1 ILE 35 2HD1 ILE 35 -1.412 -7.741 -2.834 305 3HD1 ILE 35 3HD1 ILE 35 0.091 -7.074 -2.200 306 H LEU 36 H LEU 36 -0.846 -7.487 3.807 307 HA LEU 36 HA LEU 36 1.286 -5.749 4.526 308 1HB LEU 36 2HB LEU 36 -0.758 -5.744 5.839 309 2HB LEU 36 1HB LEU 36 -0.546 -7.445 6.255 310 HG LEU 36 HG LEU 36 1.743 -6.654 7.250 311 1HD1 LEU 36 1HD1 LEU 36 1.895 -4.412 6.550 312 2HD1 LEU 36 2HD1 LEU 36 1.342 -4.270 8.218 313 3HD1 LEU 36 3HD1 LEU 36 0.194 -4.094 6.892 314 1HD2 LEU 36 1HD2 LEU 36 -0.036 -5.588 9.168 315 2HD2 LEU 36 2HD2 LEU 36 0.564 -7.244 9.077 316 3HD2 LEU 36 3HD2 LEU 36 -0.953 -6.810 8.287 317 H ASP 37 H ASP 37 0.933 -9.234 4.629 318 HA ASP 37 HA ASP 37 3.361 -9.675 6.191 319 1HB ASP 37 2HB ASP 37 1.416 -11.388 4.683 320 2HB ASP 37 1HB ASP 37 3.011 -12.051 5.045 321 H LEU 38 H LEU 38 2.469 -9.409 2.805 322 HA LEU 38 HA LEU 38 4.810 -10.451 1.589 323 1HB LEU 38 2HB LEU 38 2.952 -8.208 0.754 324 2HB LEU 38 1HB LEU 38 4.253 -8.807 -0.272 325 HG LEU 38 HG LEU 38 2.185 -10.669 0.896 326 1HD1 LEU 38 1HD1 LEU 38 1.382 -8.639 -0.652 327 2HD1 LEU 38 2HD1 LEU 38 0.707 -10.257 -0.827 328 3HD1 LEU 38 3HD1 LEU 38 1.973 -9.708 -1.925 329 1HD2 LEU 38 1HD2 LEU 38 4.205 -11.700 -0.006 330 2HD2 LEU 38 2HD2 LEU 38 4.049 -10.767 -1.494 331 3HD2 LEU 38 3HD2 LEU 38 2.860 -12.009 -1.104 332 H MET 39 H MET 39 4.121 -7.254 2.968 333 HA MET 39 HA MET 39 6.760 -6.231 2.172 334 1HB MET 39 2HB MET 39 4.606 -5.050 3.953 335 2HB MET 39 1HB MET 39 6.056 -4.200 3.420 336 1HG MET 39 2HG MET 39 4.567 -5.457 1.222 337 2HG MET 39 1HG MET 39 3.649 -4.215 2.073 338 1HE MET 39 1HE MET 39 4.146 -1.975 2.386 339 2HE MET 39 2HE MET 39 3.615 -1.985 0.706 340 3HE MET 39 3HE MET 39 4.988 -0.990 1.182 341 H ASN 40 H ASN 40 5.126 -7.051 5.247 342 HA ASN 40 HA ASN 40 6.043 -7.438 7.380 343 1HB ASN 40 2HB ASN 40 6.908 -9.382 5.902 344 2HB ASN 40 1HB ASN 40 8.445 -8.517 5.903 345 1HD2 ASN 40 1HD2 ASN 40 6.253 -10.428 7.874 346 2HD2 ASN 40 2HD2 ASN 40 7.244 -10.495 9.249 347 H VAL 41 H VAL 41 6.732 -4.925 5.879 348 HA VAL 41 HA VAL 41 9.466 -4.265 6.659 349 HB VAL 41 HB VAL 41 7.261 -2.338 5.896 350 1HG1 VAL 41 1HG1 VAL 41 10.248 -2.276 6.089 351 2HG1 VAL 41 2HG1 VAL 41 9.071 -1.042 6.536 352 3HG1 VAL 41 3HG1 VAL 41 9.468 -1.308 4.839 353 1HG2 VAL 41 1HG2 VAL 41 7.719 -4.393 4.321 354 2HG2 VAL 41 2HG2 VAL 41 9.205 -3.527 3.931 355 3HG2 VAL 41 3HG2 VAL 41 7.639 -2.773 3.626 356 H ASP 42 H ASP 42 9.966 -2.527 8.217 357 HA ASP 42 HA ASP 42 8.304 -2.785 10.636 358 1HB ASP 42 2HB ASP 42 10.116 -1.691 11.783 359 2HB ASP 42 1HB ASP 42 10.840 -2.850 10.666 360 H LYS 43 H LYS 43 7.273 -1.015 11.659 361 HA LYS 43 HA LYS 43 6.349 1.150 11.837 362 1HB LYS 43 2HB LYS 43 8.667 1.672 10.495 363 2HB LYS 43 1HB LYS 43 7.470 2.159 9.294 364 1HG LYS 43 2HG LYS 43 7.248 4.096 10.426 365 2HG LYS 43 1HG LYS 43 6.501 3.167 11.727 366 1HD LYS 43 2HD LYS 43 8.358 4.435 12.650 367 2HD LYS 43 1HD LYS 43 8.789 2.725 12.651 368 1HE LYS 43 2HE LYS 43 10.689 3.447 11.622 369 2HE LYS 43 1HE LYS 43 9.674 3.472 10.180 370 1HZ LYS 43 1HZ LYS 43 10.513 5.707 11.898 371 2HZ LYS 43 2HZ LYS 43 9.064 5.824 11.019 372 3HZ LYS 43 3HZ LYS 43 10.537 5.587 10.206 373 H LEU 44 H LEU 44 6.009 -1.044 9.315 374 HA LEU 44 HA LEU 44 3.769 0.487 8.083 375 1HB LEU 44 2HB LEU 44 5.504 -1.785 7.188 376 2HB LEU 44 1HB LEU 44 3.870 -1.675 6.536 377 HG LEU 44 HG LEU 44 5.728 0.704 6.553 378 1HD1 LEU 44 1HD1 LEU 44 7.021 -0.512 5.120 379 2HD1 LEU 44 2HD1 LEU 44 5.740 -0.154 3.962 380 3HD1 LEU 44 3HD1 LEU 44 5.748 -1.695 4.820 381 1HD2 LEU 44 1HD2 LEU 44 4.128 0.974 4.404 382 2HD2 LEU 44 2HD2 LEU 44 3.646 1.526 6.008 383 3HD2 LEU 44 3HD2 LEU 44 3.076 -0.029 5.403 384 H THR 45 H THR 45 1.994 0.167 9.403 385 HA THR 45 HA THR 45 1.473 -2.536 10.489 386 HB THR 45 HB THR 45 -0.507 -1.353 11.560 387 HG1 THR 45 1HG THR 45 -0.777 0.375 10.241 388 1HG2 THR 45 1HG2 THR 45 1.369 0.306 12.748 389 2HG2 THR 45 2HG2 THR 45 2.353 -0.985 12.058 390 3HG2 THR 45 3HG2 THR 45 1.057 -1.373 13.191 391 H ARG 46 H ARG 46 -0.882 -3.307 10.278 392 HA ARG 46 HA ARG 46 -1.520 -3.553 7.473 393 1HB ARG 46 2HB ARG 46 -3.436 -4.865 8.236 394 2HB ARG 46 1HB ARG 46 -2.009 -5.317 9.169 395 1HG ARG 46 2HG ARG 46 -2.743 -3.657 10.929 396 2HG ARG 46 1HG ARG 46 -4.252 -3.474 10.033 397 1HD ARG 46 2HD ARG 46 -3.218 -6.159 10.969 398 2HD ARG 46 1HD ARG 46 -4.317 -5.168 11.930 399 HE ARG 46 HE ARG 46 -5.651 -5.311 9.559 400 1HH1 ARG 46 1HH1 ARG 46 -4.455 -7.505 11.904 401 2HH1 ARG 46 2HH1 ARG 46 -5.301 -8.874 11.262 402 1HH2 ARG 46 1HH2 ARG 46 -6.582 -7.143 8.545 403 2HH2 ARG 46 2HH2 ARG 46 -6.507 -8.669 9.361 404 H GLU 47 H GLU 47 -2.381 -1.267 9.906 405 HA GLU 47 HA GLU 47 -4.899 -0.445 8.694 406 1HB GLU 47 2HB GLU 47 -3.088 0.908 10.714 407 2HB GLU 47 1HB GLU 47 -4.671 1.520 10.235 408 1HG GLU 47 2HG GLU 47 -4.547 -1.333 11.070 409 2HG GLU 47 1HG GLU 47 -4.337 -0.128 12.342 410 H ASN 48 H ASN 48 -1.532 0.315 8.209 411 HA ASN 48 HA ASN 48 -2.071 2.817 6.789 412 1HB ASN 48 2HB ASN 48 0.340 1.169 7.418 413 2HB ASN 48 1HB ASN 48 0.435 2.266 6.039 414 1HD2 ASN 48 1HD2 ASN 48 -0.203 2.171 9.559 415 2HD2 ASN 48 2HD2 ASN 48 0.137 3.813 9.826 416 H VAL 49 H VAL 49 -1.552 -0.574 5.953 417 HA VAL 49 HA VAL 49 -1.472 0.012 3.077 418 HB VAL 49 HB VAL 49 -1.878 -2.703 4.344 419 1HG1 VAL 49 1HG1 VAL 49 -2.037 -2.236 1.809 420 2HG1 VAL 49 2HG1 VAL 49 -0.956 -3.532 2.323 421 3HG1 VAL 49 3HG1 VAL 49 -0.297 -1.957 1.881 422 1HG2 VAL 49 1HG2 VAL 49 0.099 -1.243 5.273 423 2HG2 VAL 49 2HG2 VAL 49 0.840 -1.580 3.709 424 3HG2 VAL 49 3HG2 VAL 49 0.413 -2.909 4.787 425 H ALA 50 H ALA 50 -3.795 -0.970 5.507 426 HA ALA 50 HA ALA 50 -5.855 -1.663 3.558 427 1HB ALA 50 1HB ALA 50 -5.742 -1.381 6.549 428 2HB ALA 50 2HB ALA 50 -6.171 -2.793 5.583 429 3HB ALA 50 3HB ALA 50 -7.308 -1.454 5.739 430 H SER 51 H SER 51 -4.724 1.202 5.146 431 HA SER 51 HA SER 51 -7.181 2.728 4.707 432 1HB SER 51 2HB SER 51 -4.446 3.302 5.766 433 2HB SER 51 1HB SER 51 -5.388 4.656 5.151 434 HG SER 51 HG SER 51 -5.591 3.786 7.494 435 H HIS 52 H HIS 52 -3.982 2.466 3.159 436 HA HIS 52 HA HIS 52 -4.531 4.471 1.152 437 1HB HIS 52 2HB HIS 52 -2.229 3.768 1.728 438 2HB HIS 52 1HB HIS 52 -2.566 2.159 1.085 439 HD1 HIS 52 1HD HIS 52 -2.678 1.888 -1.476 440 HD2 HIS 52 2HD HIS 52 -2.000 5.819 -0.265 441 HE1 HIS 52 1HE HIS 52 -2.040 3.179 -3.560 442 H LEU 53 H LEU 53 -5.137 1.018 1.410 443 HA LEU 53 HA LEU 53 -5.826 0.706 -1.407 444 1HB LEU 53 2HB LEU 53 -5.024 -1.215 -0.113 445 2HB LEU 53 1HB LEU 53 -6.386 -1.057 0.998 446 HG LEU 53 HG LEU 53 -7.821 -1.231 -1.206 447 1HD1 LEU 53 1HD1 LEU 53 -6.793 -1.994 -3.083 448 2HD1 LEU 53 2HD1 LEU 53 -5.756 -3.094 -2.176 449 3HD1 LEU 53 3HD1 LEU 53 -5.317 -1.393 -2.327 450 1HD2 LEU 53 1HD2 LEU 53 -6.412 -3.702 -0.162 451 2HD2 LEU 53 2HD2 LEU 53 -8.046 -3.597 -0.818 452 3HD2 LEU 53 3HD2 LEU 53 -7.672 -2.859 0.740 453 H GLN 54 H GLN 54 -7.570 1.324 1.607 454 HA GLN 54 HA GLN 54 -10.203 1.021 0.420 455 1HB GLN 54 2HB GLN 54 -9.118 2.068 3.012 456 2HB GLN 54 1HB GLN 54 -10.777 2.464 2.565 457 1HG GLN 54 2HG GLN 54 -10.846 -0.154 2.014 458 2HG GLN 54 1HG GLN 54 -9.576 -0.184 3.238 459 1HE2 GLN 54 1HE2 GLN 54 -12.917 -0.331 2.875 460 2HE2 GLN 54 2HE2 GLN 54 -13.371 0.146 4.439 461 H LYS 55 H LYS 55 -7.918 3.665 0.817 462 HA LYS 55 HA LYS 55 -9.817 5.752 0.138 463 1HB LYS 55 2HB LYS 55 -6.849 5.563 0.468 464 2HB LYS 55 1HB LYS 55 -7.502 6.942 -0.417 465 1HG LYS 55 2HG LYS 55 -8.986 6.360 2.044 466 2HG LYS 55 1HG LYS 55 -7.294 6.766 2.337 467 1HD LYS 55 2HD LYS 55 -7.496 8.878 1.304 468 2HD LYS 55 1HD LYS 55 -8.990 8.429 0.479 469 1HE LYS 55 2HE LYS 55 -9.582 8.064 3.178 470 2HE LYS 55 1HE LYS 55 -8.619 9.541 3.151 471 1HZ LYS 55 1HZ LYS 55 -10.721 9.214 1.140 472 2HZ LYS 55 2HZ LYS 55 -10.141 10.628 1.881 473 3HZ LYS 55 3HZ LYS 55 -11.188 9.590 2.726 474 H PHE 56 H PHE 56 -7.710 3.605 -1.675 475 HA PHE 56 HA PHE 56 -7.913 5.100 -4.162 476 1HB PHE 56 2HB PHE 56 -6.103 3.382 -3.520 477 2HB PHE 56 1HB PHE 56 -7.298 2.149 -3.921 478 HD1 PHE 56 1HD PHE 56 -6.720 1.212 -5.990 479 HD2 PHE 56 2HD PHE 56 -6.523 5.472 -5.471 480 HE1 PHE 56 1HE PHE 56 -6.186 1.481 -8.397 481 HE2 PHE 56 2HE PHE 56 -5.989 5.740 -7.877 482 HZ PHE 56 HZ PHE 56 -5.821 3.745 -9.341 483 H ARG 57 H ARG 57 -9.561 2.223 -2.818 484 HA ARG 57 HA ARG 57 -11.217 1.702 -5.082 485 1HB ARG 57 2HB ARG 57 -11.768 1.303 -2.119 486 2HB ARG 57 1HB ARG 57 -12.774 0.650 -3.412 487 1HG ARG 57 2HG ARG 57 -10.328 -0.204 -4.230 488 2HG ARG 57 1HG ARG 57 -10.098 -0.217 -2.481 489 1HD ARG 57 2HD ARG 57 -10.972 -2.360 -2.927 490 2HD ARG 57 1HD ARG 57 -12.383 -1.443 -2.402 491 HE ARG 57 HE ARG 57 -13.079 -1.294 -4.752 492 1HH1 ARG 57 1HH2 ARG 57 -11.878 -4.168 -3.835 493 2HH1 ARG 57 2HH2 ARG 57 -11.311 -4.687 -5.388 494 1HH2 ARG 57 1HH1 ARG 57 -11.695 -1.570 -6.862 495 2HH2 ARG 57 2HH1 ARG 57 -11.208 -3.215 -7.101 496 H VAL 58 H VAL 58 -11.647 3.859 -2.285 497 HA VAL 58 HA VAL 58 -14.259 4.801 -3.035 498 HB VAL 58 HB VAL 58 -12.040 6.031 -1.374 499 1HG1 VAL 58 1HG1 VAL 58 -14.205 7.425 -0.618 500 2HG1 VAL 58 2HG1 VAL 58 -14.652 7.136 -2.300 501 3HG1 VAL 58 3HG1 VAL 58 -13.148 7.975 -1.918 502 1HG2 VAL 58 1HG2 VAL 58 -14.603 5.413 -0.113 503 2HG2 VAL 58 2HG2 VAL 58 -12.978 4.910 0.353 504 3HG2 VAL 58 3HG2 VAL 58 -13.871 3.989 -0.857 505 H ALA 59 H ALA 59 -10.963 5.801 -3.816 506 HA ALA 59 HA ALA 59 -11.784 8.126 -5.359 507 1HB ALA 59 1HB ALA 59 -9.251 6.726 -4.726 508 2HB ALA 59 2HB ALA 59 -9.591 8.455 -4.797 509 3HB ALA 59 3HB ALA 59 -9.288 7.553 -6.282 510 H LEU 60 H LEU 60 -11.826 4.780 -5.876 511 HA LEU 60 HA LEU 60 -11.507 4.949 -8.803 512 1HB LEU 60 2HB LEU 60 -11.743 2.774 -6.771 513 2HB LEU 60 1HB LEU 60 -12.270 2.411 -8.413 514 HG LEU 60 HG LEU 60 -9.596 3.692 -7.834 515 1HD1 LEU 60 1HD1 LEU 60 -9.614 0.837 -8.538 516 2HD1 LEU 60 2HD1 LEU 60 -10.300 1.175 -6.949 517 3HD1 LEU 60 3HD1 LEU 60 -8.656 1.689 -7.327 518 1HD2 LEU 60 1HD2 LEU 60 -10.099 3.934 -10.114 519 2HD2 LEU 60 2HD2 LEU 60 -10.956 2.394 -10.187 520 3HD2 LEU 60 3HD2 LEU 60 -9.195 2.420 -10.091 521 H LYS 61 H LYS 61 -14.013 5.111 -6.451 522 HA LYS 61 HA LYS 61 -16.074 4.470 -8.509 523 1HB LYS 61 2HB LYS 61 -17.653 4.400 -6.607 524 2HB LYS 61 1HB LYS 61 -16.301 3.295 -6.355 525 1HG LYS 61 2HG LYS 61 -15.303 4.673 -4.745 526 2HG LYS 61 1HG LYS 61 -16.158 6.111 -5.307 527 1HD LYS 61 2HD LYS 61 -17.161 5.396 -3.214 528 2HD LYS 61 1HD LYS 61 -18.302 5.072 -4.519 529 1HE LYS 61 2HE LYS 61 -17.593 2.726 -4.590 530 2HE LYS 61 1HE LYS 61 -16.397 3.034 -3.329 531 1HZ LYS 61 1HZ LYS 61 -18.524 3.945 -2.103 532 2HZ LYS 61 2HZ LYS 61 -18.106 2.299 -2.059 533 3HZ LYS 61 3HZ LYS 61 -19.307 2.845 -3.130 534 H LYS 62 H LYS 62 -14.372 7.064 -7.829 535 HA LYS 62 HA LYS 62 -16.647 8.887 -8.363 536 1HB LYS 62 2HB LYS 62 -14.823 9.007 -5.977 537 2HB LYS 62 1HB LYS 62 -15.471 10.500 -6.658 538 1HG LYS 62 2HG LYS 62 -17.687 8.830 -6.566 539 2HG LYS 62 1HG LYS 62 -16.823 8.439 -5.078 540 1HD LYS 62 2HD LYS 62 -17.686 10.312 -4.174 541 2HD LYS 62 1HD LYS 62 -16.689 11.239 -5.296 542 1HE LYS 62 2HE LYS 62 -18.465 11.219 -6.963 543 2HE LYS 62 1HE LYS 62 -19.451 10.169 -5.945 544 1HZ LYS 62 1HZ LYS 62 -18.524 12.874 -5.148 545 2HZ LYS 62 2HZ LYS 62 -19.615 11.878 -4.307 546 3HZ LYS 62 3HZ LYS 62 -20.053 12.549 -5.806 547 H VAL 63 H VAL 63 -14.320 7.820 -9.887 548 HA VAL 63 HA VAL 63 -12.933 10.415 -10.432 549 HB VAL 63 HB VAL 63 -11.327 8.780 -9.651 550 1HG1 VAL 63 1HG1 VAL 63 -11.833 6.599 -9.908 551 2HG1 VAL 63 2HG1 VAL 63 -11.373 6.754 -11.603 552 3HG1 VAL 63 3HG1 VAL 63 -13.056 6.977 -11.122 553 1HG2 VAL 63 1HG2 VAL 63 -11.329 9.848 -12.331 554 2HG2 VAL 63 2HG2 VAL 63 -10.490 8.298 -12.317 555 3HG2 VAL 63 3HG2 VAL 63 -9.960 9.596 -11.247 556 H SER 64 H SER 64 -15.176 10.478 -11.700 557 HA SER 64 HA SER 64 -14.761 9.222 -14.381 558 1HB SER 64 2HB SER 64 -16.878 8.601 -13.266 559 2HB SER 64 1HB SER 64 -17.302 10.304 -13.121 560 HG SER 64 HG SER 64 -18.132 10.032 -15.032 Start of MODEL 11 1 1H THR 1 1HT THR 1 18.969 5.313 -10.604 2 2H THR 1 2HT THR 1 18.835 4.337 -9.220 3 3H THR 1 3HT THR 1 20.367 4.737 -9.835 4 HA THR 1 HA THR 1 19.839 7.121 -9.383 5 HB THR 1 HB THR 1 17.945 6.648 -7.308 6 HG1 THR 1 1HG THR 1 16.887 5.910 -9.804 7 1HG2 THR 1 1HG2 THR 1 18.425 8.408 -9.527 8 2HG2 THR 1 2HG2 THR 1 17.443 8.692 -8.090 9 3HG2 THR 1 3HG2 THR 1 16.723 7.944 -9.516 10 H ALA 2 H ALA 2 21.153 7.809 -7.717 11 HA ALA 2 HA ALA 2 22.785 6.099 -6.273 12 1HB ALA 2 1HB ALA 2 23.106 8.555 -6.385 13 2HB ALA 2 2HB ALA 2 23.203 7.963 -4.726 14 3HB ALA 2 3HB ALA 2 21.740 8.772 -5.290 15 H GLN 3 H GLN 3 22.445 4.678 -4.631 16 HA GLN 3 HA GLN 3 19.788 4.449 -3.442 17 1HB GLN 3 2HB GLN 3 22.079 2.770 -3.765 18 2HB GLN 3 1HB GLN 3 21.708 2.856 -2.043 19 1HG GLN 3 2HG GLN 3 20.473 1.019 -3.187 20 2HG GLN 3 1HG GLN 3 19.390 2.214 -2.472 21 1HE2 GLN 3 1HE2 GLN 3 17.950 1.098 -4.282 22 2HE2 GLN 3 2HE2 GLN 3 17.969 1.859 -5.800 23 H LYS 4 H LYS 4 19.587 6.457 -2.278 24 HA LYS 4 HA LYS 4 20.807 6.349 0.392 25 1HB LYS 4 2HB LYS 4 21.412 8.544 -1.592 26 2HB LYS 4 1HB LYS 4 21.510 8.819 0.147 27 1HG LYS 4 2HG LYS 4 22.954 6.618 0.123 28 2HG LYS 4 1HG LYS 4 23.181 7.022 -1.580 29 1HD LYS 4 2HD LYS 4 23.693 9.433 -0.576 30 2HD LYS 4 1HD LYS 4 24.106 8.489 0.855 31 1HE LYS 4 2HE LYS 4 25.755 7.229 -0.341 32 2HE LYS 4 1HE LYS 4 25.201 7.855 -1.893 33 1HZ LYS 4 1HZ LYS 4 25.887 9.947 -0.080 34 2HZ LYS 4 2HZ LYS 4 26.443 9.662 -1.660 35 3HZ LYS 4 3HZ LYS 4 27.196 8.900 -0.342 36 H LYS 5 H LYS 5 18.325 5.941 0.401 37 HA LYS 5 HA LYS 5 16.866 8.546 0.468 38 1HB LYS 5 2HB LYS 5 15.734 7.039 -0.989 39 2HB LYS 5 1HB LYS 5 15.929 5.691 0.131 40 1HG LYS 5 2HG LYS 5 14.263 6.463 1.566 41 2HG LYS 5 1HG LYS 5 14.433 8.134 1.028 42 1HD LYS 5 2HD LYS 5 13.266 5.862 -0.607 43 2HD LYS 5 1HD LYS 5 12.344 7.150 0.168 44 1HE LYS 5 2HE LYS 5 12.643 8.418 -1.667 45 2HE LYS 5 1HE LYS 5 14.377 8.420 -1.343 46 1HZ LYS 5 1HZ LYS 5 13.189 7.331 -3.516 47 2HZ LYS 5 2HZ LYS 5 13.435 5.975 -2.521 48 3HZ LYS 5 3HZ LYS 5 14.748 6.958 -2.964 49 HA PRO 6 HA PRO 6 17.242 7.705 4.891 50 1HB PRO 6 2HB PRO 6 16.844 10.325 5.622 51 2HB PRO 6 1HB PRO 6 18.416 9.675 5.128 52 1HG PRO 6 2HG PRO 6 16.552 11.436 3.605 53 2HG PRO 6 1HG PRO 6 18.311 11.276 3.466 54 1HD PRO 6 2HD PRO 6 16.401 10.133 1.718 55 2HD PRO 6 1HD PRO 6 18.126 9.714 1.798 56 H ARG 7 H ARG 7 15.495 6.995 6.052 57 HA ARG 7 HA ARG 7 13.313 6.839 6.892 58 1HB ARG 7 2HB ARG 7 13.066 9.682 5.860 59 2HB ARG 7 1HB ARG 7 11.972 8.892 6.995 60 1HG ARG 7 2HG ARG 7 13.484 8.978 8.738 61 2HG ARG 7 1HG ARG 7 14.883 8.923 7.664 62 1HD ARG 7 2HD ARG 7 14.598 11.223 7.035 63 2HD ARG 7 1HD ARG 7 13.023 11.306 7.826 64 HE ARG 7 HE ARG 7 14.136 11.643 9.879 65 1HH1 ARG 7 1HH2 ARG 7 16.400 12.893 8.442 66 2HH1 ARG 7 2HH2 ARG 7 17.757 11.959 8.976 67 1HH2 ARG 7 1HH1 ARG 7 15.825 9.336 10.161 68 2HH2 ARG 7 2HH1 ARG 7 17.432 9.946 9.949 69 H VAL 8 H VAL 8 11.683 5.727 5.955 70 HA VAL 8 HA VAL 8 10.739 6.552 3.257 71 HB VAL 8 HB VAL 8 11.996 3.954 4.032 72 1HG1 VAL 8 1HG1 VAL 8 9.560 4.201 2.259 73 2HG1 VAL 8 2HG1 VAL 8 9.825 3.071 3.587 74 3HG1 VAL 8 3HG1 VAL 8 10.719 2.885 2.078 75 1HG2 VAL 8 1HG2 VAL 8 12.177 5.984 1.970 76 2HG2 VAL 8 2HG2 VAL 8 12.006 4.378 1.260 77 3HG2 VAL 8 3HG2 VAL 8 13.326 4.711 2.382 78 H LEU 9 H LEU 9 8.748 7.260 4.055 79 HA LEU 9 HA LEU 9 7.142 5.288 5.616 80 1HB LEU 9 2HB LEU 9 7.533 7.691 6.464 81 2HB LEU 9 1HB LEU 9 6.449 8.193 5.168 82 HG LEU 9 HG LEU 9 4.895 6.294 6.151 83 1HD1 LEU 9 1HD1 LEU 9 6.237 7.159 8.699 84 2HD1 LEU 9 2HD1 LEU 9 6.862 5.773 7.806 85 3HD1 LEU 9 3HD1 LEU 9 5.204 5.760 8.407 86 1HD2 LEU 9 1HD2 LEU 9 5.266 9.138 6.742 87 2HD2 LEU 9 2HD2 LEU 9 4.440 8.280 8.043 88 3HD2 LEU 9 3HD2 LEU 9 3.780 8.249 6.408 89 H TRP 10 H TRP 10 7.238 7.232 2.688 90 HA TRP 10 HA TRP 10 5.385 5.472 1.334 91 1HB TRP 10 2HB TRP 10 4.400 8.058 2.479 92 2HB TRP 10 1HB TRP 10 3.813 7.575 0.887 93 HD1 TRP 10 HD TRP 10 2.770 7.328 4.274 94 HE1 TRP 10 1HE TRP 10 1.301 5.255 4.713 95 HE3 TRP 10 3HE TRP 10 3.805 4.608 0.078 96 HZ2 TRP 10 2HZ TRP 10 0.651 2.772 3.451 97 HZ3 TRP 10 3HZ TRP 10 2.749 2.395 -0.277 98 HH2 TRP 10 HH TRP 10 1.175 1.474 1.403 99 H THR 11 H THR 11 7.611 5.732 0.224 100 HA THR 11 HA THR 11 7.565 8.130 -1.568 101 HB THR 11 HB THR 11 10.027 7.513 -1.932 102 HG1 THR 11 1HG THR 11 10.151 5.504 -1.108 103 1HG2 THR 11 1HG2 THR 11 9.215 8.281 0.883 104 2HG2 THR 11 2HG2 THR 11 9.210 9.388 -0.488 105 3HG2 THR 11 3HG2 THR 11 10.728 8.687 0.073 106 H HIS 12 H HIS 12 8.724 7.563 -3.753 107 HA HIS 12 HA HIS 12 7.152 5.778 -5.228 108 1HB HIS 12 2HB HIS 12 9.663 7.217 -5.640 109 2HB HIS 12 1HB HIS 12 9.620 5.686 -6.512 110 HD1 HIS 12 1HD HIS 12 6.774 8.124 -5.813 111 HD2 HIS 12 2HD HIS 12 8.790 6.432 -9.047 112 HE1 HIS 12 1HE HIS 12 5.557 8.892 -7.899 113 H GLU 13 H GLU 13 9.991 5.128 -3.266 114 HA GLU 13 HA GLU 13 10.518 2.480 -4.259 115 1HB GLU 13 2HB GLU 13 11.994 3.997 -2.765 116 2HB GLU 13 1HB GLU 13 11.030 3.382 -1.426 117 1HG GLU 13 2HG GLU 13 12.937 1.940 -1.586 118 2HG GLU 13 1HG GLU 13 11.582 1.039 -2.270 119 H LEU 14 H LEU 14 8.761 3.639 -1.373 120 HA LEU 14 HA LEU 14 7.844 1.051 -0.567 121 1HB LEU 14 2HB LEU 14 7.123 3.872 0.073 122 2HB LEU 14 1HB LEU 14 5.943 2.627 0.481 123 HG LEU 14 HG LEU 14 8.860 2.557 1.289 124 1HD1 LEU 14 1HD1 LEU 14 7.711 4.363 2.463 125 2HD1 LEU 14 2HD1 LEU 14 7.952 3.017 3.576 126 3HD1 LEU 14 3HD1 LEU 14 6.366 3.290 2.855 127 1HD2 LEU 14 1HD2 LEU 14 6.915 0.528 1.118 128 2HD2 LEU 14 2HD2 LEU 14 7.004 0.945 2.828 129 3HD2 LEU 14 3HD2 LEU 14 8.458 0.442 1.967 130 H HIS 15 H HIS 15 6.806 3.185 -3.082 131 HA HIS 15 HA HIS 15 4.100 2.092 -3.262 132 1HB HIS 15 2HB HIS 15 4.906 4.431 -4.014 133 2HB HIS 15 1HB HIS 15 5.528 3.607 -5.443 134 HD1 HIS 15 1HD HIS 15 2.275 2.902 -3.597 135 HD2 HIS 15 2HD HIS 15 3.579 4.235 -7.326 136 HE1 HIS 15 1HE HIS 15 0.212 3.081 -5.056 137 H ASN 16 H ASN 16 7.239 1.261 -4.506 138 HA ASN 16 HA ASN 16 6.210 -0.310 -6.743 139 1HB ASN 16 2HB ASN 16 8.898 0.157 -5.503 140 2HB ASN 16 1HB ASN 16 8.681 -1.246 -6.550 141 1HD2 ASN 16 1HD2 ASN 16 6.912 1.810 -6.991 142 2HD2 ASN 16 2HD2 ASN 16 7.652 2.222 -8.462 143 H LYS 17 H LYS 17 7.120 -0.928 -3.389 144 HA LYS 17 HA LYS 17 6.975 -3.834 -3.723 145 1HB LYS 17 2HB LYS 17 6.978 -2.184 -1.177 146 2HB LYS 17 1HB LYS 17 7.304 -3.913 -1.304 147 1HG LYS 17 2HG LYS 17 9.209 -3.313 -2.883 148 2HG LYS 17 1HG LYS 17 8.968 -1.635 -2.397 149 1HD LYS 17 2HD LYS 17 9.778 -1.986 -0.273 150 2HD LYS 17 1HD LYS 17 9.205 -3.654 -0.218 151 1HE LYS 17 2HE LYS 17 10.990 -4.172 -1.980 152 2HE LYS 17 1HE LYS 17 11.658 -2.580 -1.621 153 1HZ LYS 17 1HZ LYS 17 11.536 -3.389 0.805 154 2HZ LYS 17 2HZ LYS 17 12.800 -3.946 -0.183 155 3HZ LYS 17 3HZ LYS 17 11.458 -4.942 0.125 156 H PHE 18 H PHE 18 4.858 -1.248 -2.567 157 HA PHE 18 HA PHE 18 2.789 -3.083 -1.648 158 1HB PHE 18 2HB PHE 18 2.968 -0.852 -0.665 159 2HB PHE 18 1HB PHE 18 2.724 -0.110 -2.245 160 HD1 PHE 18 1HD PHE 18 0.643 0.964 -2.183 161 HD2 PHE 18 2HD PHE 18 1.009 -3.021 -0.622 162 HE1 PHE 18 1HE PHE 18 -1.813 0.869 -1.851 163 HE2 PHE 18 2HE PHE 18 -1.447 -3.116 -0.291 164 HZ PHE 18 HZ PHE 18 -2.858 -1.171 -0.906 165 H LEU 19 H LEU 19 3.664 -1.613 -4.681 166 HA LEU 19 HA LEU 19 1.024 -2.056 -5.881 167 1HB LEU 19 2HB LEU 19 3.663 -0.995 -6.816 168 2HB LEU 19 1HB LEU 19 2.523 -1.589 -8.024 169 HG LEU 19 HG LEU 19 1.920 0.504 -5.914 170 1HD1 LEU 19 1HD1 LEU 19 3.369 1.399 -7.652 171 2HD1 LEU 19 2HD1 LEU 19 1.732 2.002 -7.916 172 3HD1 LEU 19 3HD1 LEU 19 2.358 0.686 -8.909 173 1HD2 LEU 19 1HD2 LEU 19 0.016 0.457 -8.021 174 2HD2 LEU 19 2HD2 LEU 19 -0.243 0.023 -6.332 175 3HD2 LEU 19 3HD2 LEU 19 0.231 -1.213 -7.497 176 H ALA 20 H ALA 20 4.177 -3.667 -5.830 177 HA ALA 20 HA ALA 20 3.388 -5.644 -7.819 178 1HB ALA 20 1HB ALA 20 5.804 -4.852 -6.736 179 2HB ALA 20 2HB ALA 20 5.563 -6.290 -7.729 180 3HB ALA 20 3HB ALA 20 5.539 -6.418 -5.971 181 H ALA 21 H ALA 21 3.141 -5.324 -4.346 182 HA ALA 21 HA ALA 21 2.604 -8.146 -3.878 183 1HB ALA 21 1HB ALA 21 3.212 -7.226 -1.865 184 2HB ALA 21 2HB ALA 21 1.480 -6.918 -1.736 185 3HB ALA 21 3HB ALA 21 2.565 -5.640 -2.281 186 H VAL 22 H VAL 22 0.637 -5.222 -4.332 187 HA VAL 22 HA VAL 22 -1.902 -6.527 -3.939 188 HB VAL 22 HB VAL 22 -1.342 -4.118 -5.688 189 1HG1 VAL 22 1HG1 VAL 22 -3.622 -3.498 -5.093 190 2HG1 VAL 22 2HG1 VAL 22 -3.750 -4.890 -4.018 191 3HG1 VAL 22 3HG1 VAL 22 -3.621 -5.131 -5.760 192 1HG2 VAL 22 1HG2 VAL 22 -0.985 -2.823 -3.857 193 2HG2 VAL 22 2HG2 VAL 22 -0.543 -4.342 -3.079 194 3HG2 VAL 22 3HG2 VAL 22 -2.173 -3.696 -2.891 195 H ASP 23 H ASP 23 -0.035 -5.675 -6.839 196 HA ASP 23 HA ASP 23 -1.820 -6.745 -8.771 197 1HB ASP 23 2HB ASP 23 0.353 -5.331 -9.031 198 2HB ASP 23 1HB ASP 23 1.169 -6.888 -9.049 199 H HIS 24 H HIS 24 0.845 -8.240 -6.971 200 HA HIS 24 HA HIS 24 0.820 -10.769 -8.262 201 1HB HIS 24 2HB HIS 24 2.557 -9.999 -6.633 202 2HB HIS 24 1HB HIS 24 1.390 -10.239 -5.333 203 HD1 HIS 24 1HD HIS 24 3.463 -12.026 -4.690 204 HD2 HIS 24 2HD HIS 24 0.890 -13.055 -7.804 205 HE1 HIS 24 1HE HIS 24 3.698 -14.527 -5.016 206 H LEU 25 H LEU 25 -1.406 -9.369 -5.971 207 HA LEU 25 HA LEU 25 -2.730 -12.030 -5.662 208 1HB LEU 25 2HB LEU 25 -3.352 -9.535 -4.077 209 2HB LEU 25 1HB LEU 25 -3.735 -11.208 -3.668 210 HG LEU 25 HG LEU 25 -0.861 -10.474 -4.054 211 1HD1 LEU 25 1HD1 LEU 25 -2.651 -9.546 -1.837 212 2HD1 LEU 25 2HD1 LEU 25 -1.289 -8.718 -2.592 213 3HD1 LEU 25 3HD1 LEU 25 -1.001 -10.028 -1.447 214 1HD2 LEU 25 1HD2 LEU 25 -1.901 -12.116 -1.798 215 2HD2 LEU 25 2HD2 LEU 25 -0.499 -12.389 -2.832 216 3HD2 LEU 25 3HD2 LEU 25 -2.117 -12.780 -3.418 217 H GLY 26 H GLY 26 -2.961 -9.146 -7.404 218 1HA GLY 26 2HA GLY 26 -4.648 -8.536 -8.951 219 2HA GLY 26 1HA GLY 26 -5.642 -9.862 -8.338 220 H VAL 27 H VAL 27 -5.212 -6.515 -8.296 221 HA VAL 27 HA VAL 27 -6.019 -5.681 -5.748 222 HB VAL 27 HB VAL 27 -5.435 -4.037 -7.410 223 1HG1 VAL 27 1HG1 VAL 27 -7.291 -3.693 -9.268 224 2HG1 VAL 27 2HG1 VAL 27 -7.614 -5.398 -8.955 225 3HG1 VAL 27 3HG1 VAL 27 -6.014 -4.887 -9.493 226 1HG2 VAL 27 1HG2 VAL 27 -8.413 -3.787 -6.886 227 2HG2 VAL 27 2HG2 VAL 27 -7.278 -2.470 -7.180 228 3HG2 VAL 27 3HG2 VAL 27 -7.168 -3.414 -5.694 229 H GLU 28 H GLU 28 -7.832 -7.416 -8.122 230 HA GLU 28 HA GLU 28 -10.468 -6.681 -7.165 231 1HB GLU 28 2HB GLU 28 -10.101 -7.591 -9.429 232 2HB GLU 28 1HB GLU 28 -9.574 -9.121 -8.726 233 1HG GLU 28 2HG GLU 28 -11.704 -9.804 -8.498 234 2HG GLU 28 1HG GLU 28 -12.107 -8.349 -7.585 235 H ARG 29 H ARG 29 -8.272 -9.410 -6.497 236 HA ARG 29 HA ARG 29 -10.115 -10.190 -4.270 237 1HB ARG 29 2HB ARG 29 -8.083 -11.952 -5.668 238 2HB ARG 29 1HB ARG 29 -9.304 -12.459 -4.501 239 1HG ARG 29 2HG ARG 29 -10.898 -12.582 -6.093 240 2HG ARG 29 1HG ARG 29 -10.485 -10.986 -6.720 241 1HD ARG 29 2HD ARG 29 -9.216 -11.847 -8.389 242 2HD ARG 29 1HD ARG 29 -8.461 -13.029 -7.319 243 HE ARG 29 HE ARG 29 -10.792 -14.240 -7.592 244 1HH1 ARG 29 1HH2 ARG 29 -8.376 -13.791 -9.770 245 2HH1 ARG 29 2HH2 ARG 29 -9.334 -14.008 -11.196 246 1HH2 ARG 29 1HH1 ARG 29 -12.357 -13.905 -9.505 247 2HH2 ARG 29 2HH1 ARG 29 -11.587 -14.073 -11.048 248 H ALA 30 H ALA 30 -7.589 -8.331 -4.548 249 HA ALA 30 HA ALA 30 -5.804 -9.638 -2.584 250 1HB ALA 30 1HB ALA 30 -4.256 -7.887 -3.053 251 2HB ALA 30 2HB ALA 30 -5.514 -6.862 -3.746 252 3HB ALA 30 3HB ALA 30 -4.978 -8.304 -4.607 253 H VAL 31 H VAL 31 -5.813 -9.142 -0.440 254 HA VAL 31 HA VAL 31 -7.577 -6.896 0.445 255 HB VAL 31 HB VAL 31 -7.428 -8.212 2.689 256 1HG1 VAL 31 1HG1 VAL 31 -9.529 -8.184 1.630 257 2HG1 VAL 31 2HG1 VAL 31 -9.163 -9.906 1.738 258 3HG1 VAL 31 3HG1 VAL 31 -8.930 -9.048 0.214 259 1HG2 VAL 31 1HG2 VAL 31 -7.029 -10.628 0.997 260 2HG2 VAL 31 2HG2 VAL 31 -6.575 -10.345 2.677 261 3HG2 VAL 31 3HG2 VAL 31 -5.586 -9.687 1.375 262 HA PRO 32 HA PRO 32 -4.060 -4.932 2.185 263 1HB PRO 32 2HB PRO 32 -5.218 -3.681 4.345 264 2HB PRO 32 1HB PRO 32 -5.432 -3.143 2.670 265 1HG PRO 32 2HG PRO 32 -7.354 -4.586 4.438 266 2HG PRO 32 1HG PRO 32 -7.680 -3.499 3.078 267 1HD PRO 32 2HD PRO 32 -7.814 -6.323 3.002 268 2HD PRO 32 1HD PRO 32 -7.790 -5.242 1.591 269 H LYS 33 H LYS 33 -5.970 -7.055 4.226 270 HA LYS 33 HA LYS 33 -4.188 -7.099 6.486 271 1HB LYS 33 2HB LYS 33 -6.413 -7.906 6.814 272 2HB LYS 33 1HB LYS 33 -6.289 -9.011 5.447 273 1HG LYS 33 2HG LYS 33 -4.293 -9.337 7.639 274 2HG LYS 33 1HG LYS 33 -5.948 -9.852 7.969 275 1HD LYS 33 2HD LYS 33 -5.789 -11.058 5.666 276 2HD LYS 33 1HD LYS 33 -4.046 -10.864 5.862 277 1HE LYS 33 2HE LYS 33 -4.108 -12.056 7.987 278 2HE LYS 33 1HE LYS 33 -5.867 -12.160 7.912 279 1HZ LYS 33 1HZ LYS 33 -4.394 -14.130 7.102 280 2HZ LYS 33 2HZ LYS 33 -4.283 -13.213 5.677 281 3HZ LYS 33 3HZ LYS 33 -5.802 -13.711 6.253 282 H LYS 34 H LYS 34 -4.635 -9.380 3.765 283 HA LYS 34 HA LYS 34 -2.372 -11.006 4.470 284 1HB LYS 34 2HB LYS 34 -4.110 -10.685 2.055 285 2HB LYS 34 1HB LYS 34 -2.579 -11.541 1.871 286 1HG LYS 34 2HG LYS 34 -4.506 -12.219 4.094 287 2HG LYS 34 1HG LYS 34 -4.643 -12.956 2.497 288 1HD LYS 34 2HD LYS 34 -2.186 -13.034 4.272 289 2HD LYS 34 1HD LYS 34 -3.296 -14.376 3.992 290 1HE LYS 34 2HE LYS 34 -2.633 -13.542 1.426 291 2HE LYS 34 1HE LYS 34 -1.115 -13.393 2.311 292 1HZ LYS 34 1HZ LYS 34 -2.341 -15.777 3.091 293 2HZ LYS 34 2HZ LYS 34 -0.894 -15.576 2.223 294 3HZ LYS 34 3HZ LYS 34 -2.371 -15.725 1.396 295 H ILE 35 H ILE 35 -2.754 -8.206 2.301 296 HA ILE 35 HA ILE 35 -0.074 -8.345 1.273 297 HB ILE 35 HB ILE 35 -2.071 -6.088 1.486 298 1HG1 ILE 35 2HG1 ILE 35 -1.164 -8.073 -0.564 299 2HG1 ILE 35 1HG1 ILE 35 -2.785 -7.466 -0.238 300 1HG2 ILE 35 1HG2 ILE 35 0.716 -6.058 0.276 301 2HG2 ILE 35 2HG2 ILE 35 0.162 -5.094 1.644 302 3HG2 ILE 35 3HG2 ILE 35 -0.494 -4.798 0.035 303 1HD1 ILE 35 1HD1 ILE 35 -2.446 -6.286 -2.162 304 2HD1 ILE 35 2HD1 ILE 35 -0.691 -6.393 -2.036 305 3HD1 ILE 35 3HD1 ILE 35 -1.570 -5.186 -1.098 306 H LEU 36 H LEU 36 -1.455 -7.137 4.246 307 HA LEU 36 HA LEU 36 0.578 -5.371 5.093 308 1HB LEU 36 2HB LEU 36 -1.411 -5.688 6.457 309 2HB LEU 36 1HB LEU 36 -1.023 -7.392 6.699 310 HG LEU 36 HG LEU 36 0.933 -6.845 7.991 311 1HD1 LEU 36 1HD1 LEU 36 0.997 -4.113 8.358 312 2HD1 LEU 36 2HD1 LEU 36 0.591 -4.249 6.647 313 3HD1 LEU 36 3HD1 LEU 36 2.057 -5.008 7.269 314 1HD2 LEU 36 1HD2 LEU 36 -0.425 -6.530 9.763 315 2HD2 LEU 36 2HD2 LEU 36 -1.699 -5.942 8.693 316 3HD2 LEU 36 3HD2 LEU 36 -0.524 -4.814 9.368 317 H ASP 37 H ASP 37 0.466 -8.901 4.997 318 HA ASP 37 HA ASP 37 3.006 -9.264 6.363 319 1HB ASP 37 2HB ASP 37 1.340 -11.057 4.577 320 2HB ASP 37 1HB ASP 37 2.861 -11.578 5.302 321 H LEU 38 H LEU 38 1.947 -8.861 3.026 322 HA LEU 38 HA LEU 38 4.335 -9.556 1.673 323 1HB LEU 38 2HB LEU 38 2.066 -7.669 1.101 324 2HB LEU 38 1HB LEU 38 3.483 -7.657 0.052 325 HG LEU 38 HG LEU 38 2.296 -10.308 0.735 326 1HD1 LEU 38 1HD1 LEU 38 1.027 -9.485 -1.636 327 2HD1 LEU 38 2HD1 LEU 38 0.803 -8.150 -0.505 328 3HD1 LEU 38 3HD1 LEU 38 0.260 -9.770 -0.074 329 1HD2 LEU 38 1HD2 LEU 38 3.434 -10.963 -1.138 330 2HD2 LEU 38 2HD2 LEU 38 4.338 -9.474 -0.863 331 3HD2 LEU 38 3HD2 LEU 38 3.013 -9.498 -2.025 332 H MET 39 H MET 39 3.377 -6.562 3.309 333 HA MET 39 HA MET 39 5.758 -5.113 2.462 334 1HB MET 39 2HB MET 39 3.626 -4.588 4.543 335 2HB MET 39 1HB MET 39 5.001 -3.507 4.306 336 1HG MET 39 2HG MET 39 2.997 -4.305 2.172 337 2HG MET 39 1HG MET 39 3.053 -2.747 2.996 338 1HE MET 39 1HE MET 39 4.867 -0.615 1.155 339 2HE MET 39 2HE MET 39 5.852 -1.094 2.534 340 3HE MET 39 3HE MET 39 4.097 -1.084 2.677 341 H ASN 40 H ASN 40 4.694 -6.483 5.599 342 HA ASN 40 HA ASN 40 5.968 -7.073 7.486 343 1HB ASN 40 2HB ASN 40 6.721 -8.781 5.789 344 2HB ASN 40 1HB ASN 40 8.073 -7.718 5.399 345 1HD2 ASN 40 1HD2 ASN 40 6.666 -8.371 8.642 346 2HD2 ASN 40 2HD2 ASN 40 8.090 -9.020 9.297 347 H VAL 41 H VAL 41 6.215 -4.321 6.277 348 HA VAL 41 HA VAL 41 8.978 -3.510 6.785 349 HB VAL 41 HB VAL 41 6.435 -1.939 6.291 350 1HG1 VAL 41 1HG1 VAL 41 8.086 -0.029 5.927 351 2HG1 VAL 41 2HG1 VAL 41 9.289 -1.035 6.735 352 3HG1 VAL 41 3HG1 VAL 41 7.845 -0.517 7.605 353 1HG2 VAL 41 1HG2 VAL 41 7.035 -2.927 4.257 354 2HG2 VAL 41 2HG2 VAL 41 8.759 -2.875 4.627 355 3HG2 VAL 41 3HG2 VAL 41 7.908 -1.396 4.180 356 H ASP 42 H ASP 42 9.633 -2.119 8.541 357 HA ASP 42 HA ASP 42 8.139 -2.666 11.031 358 1HB ASP 42 2HB ASP 42 10.121 -1.779 12.164 359 2HB ASP 42 1HB ASP 42 10.612 -2.966 10.956 360 H LYS 43 H LYS 43 7.201 -1.047 12.296 361 HA LYS 43 HA LYS 43 6.497 1.120 12.901 362 1HB LYS 43 2HB LYS 43 7.838 2.849 12.322 363 2HB LYS 43 1HB LYS 43 8.807 1.660 11.462 364 1HG LYS 43 2HG LYS 43 7.412 2.075 9.418 365 2HG LYS 43 1HG LYS 43 6.577 3.354 10.296 366 1HD LYS 43 2HD LYS 43 8.318 4.412 9.022 367 2HD LYS 43 1HD LYS 43 8.843 4.415 10.705 368 1HE LYS 43 2HE LYS 43 9.926 2.090 10.026 369 2HE LYS 43 1HE LYS 43 9.856 2.785 8.406 370 1HZ LYS 43 1HZ LYS 43 11.437 4.274 8.886 371 2HZ LYS 43 2HZ LYS 43 11.835 3.222 10.160 372 3HZ LYS 43 3HZ LYS 43 10.846 4.573 10.447 373 H LEU 44 H LEU 44 5.885 -0.564 10.065 374 HA LEU 44 HA LEU 44 3.832 1.327 9.084 375 1HB LEU 44 2HB LEU 44 5.009 -1.247 8.080 376 2HB LEU 44 1HB LEU 44 3.435 -0.727 7.479 377 HG LEU 44 HG LEU 44 6.014 0.863 7.371 378 1HD1 LEU 44 1HD1 LEU 44 6.276 -0.126 5.366 379 2HD1 LEU 44 2HD1 LEU 44 4.732 0.550 4.850 380 3HD1 LEU 44 3HD1 LEU 44 4.788 -1.042 5.606 381 1HD2 LEU 44 1HD2 LEU 44 4.016 2.058 5.788 382 2HD2 LEU 44 2HD2 LEU 44 4.686 2.685 7.294 383 3HD2 LEU 44 3HD2 LEU 44 3.232 1.687 7.323 384 H THR 45 H THR 45 1.609 0.936 9.245 385 HA THR 45 HA THR 45 0.839 -1.362 11.002 386 HB THR 45 HB THR 45 -1.070 0.098 11.733 387 HG1 THR 45 1HG THR 45 -0.820 2.333 11.236 388 1HG2 THR 45 1HG2 THR 45 1.673 0.221 12.452 389 2HG2 THR 45 2HG2 THR 45 0.276 0.610 13.456 390 3HG2 THR 45 3HG2 THR 45 1.055 1.872 12.500 391 H ARG 46 H ARG 46 -1.441 -2.120 10.614 392 HA ARG 46 HA ARG 46 -1.871 -2.537 7.773 393 1HB ARG 46 2HB ARG 46 -2.451 -4.313 9.316 394 2HB ARG 46 1HB ARG 46 -3.538 -3.246 10.204 395 1HG ARG 46 2HG ARG 46 -5.017 -3.063 8.292 396 2HG ARG 46 1HG ARG 46 -3.887 -3.966 7.282 397 1HD ARG 46 2HD ARG 46 -5.776 -5.374 8.122 398 2HD ARG 46 1HD ARG 46 -4.196 -5.964 8.641 399 HE ARG 46 HE ARG 46 -4.817 -5.485 10.864 400 1HH1 ARG 46 1HH1 ARG 46 -6.861 -3.898 8.577 401 2HH1 ARG 46 2HH1 ARG 46 -7.926 -3.254 9.781 402 1HH2 ARG 46 1HH2 ARG 46 -6.176 -4.619 12.446 403 2HH2 ARG 46 2HH2 ARG 46 -7.539 -3.661 11.970 404 H GLU 47 H GLU 47 -2.931 -0.187 10.062 405 HA GLU 47 HA GLU 47 -5.372 0.547 8.639 406 1HB GLU 47 2HB GLU 47 -4.377 1.056 11.162 407 2HB GLU 47 1HB GLU 47 -4.145 2.602 10.346 408 1HG GLU 47 2HG GLU 47 -6.351 3.042 10.415 409 2HG GLU 47 1HG GLU 47 -6.731 1.486 9.675 410 H ASN 48 H ASN 48 -1.992 1.365 8.444 411 HA ASN 48 HA ASN 48 -2.319 3.873 7.042 412 1HB ASN 48 2HB ASN 48 -0.048 1.932 7.424 413 2HB ASN 48 1HB ASN 48 0.108 3.268 6.283 414 1HD2 ASN 48 1HD2 ASN 48 -1.164 5.369 7.559 415 2HD2 ASN 48 2HD2 ASN 48 -0.414 5.705 9.044 416 H VAL 49 H VAL 49 -1.739 0.517 5.976 417 HA VAL 49 HA VAL 49 -1.920 1.303 3.154 418 HB VAL 49 HB VAL 49 -1.689 -1.378 4.549 419 1HG1 VAL 49 1HG1 VAL 49 -1.065 -1.600 1.796 420 2HG1 VAL 49 2HG1 VAL 49 -2.616 -0.766 1.887 421 3HG1 VAL 49 3HG1 VAL 49 -2.417 -2.343 2.651 422 1HG2 VAL 49 1HG2 VAL 49 0.459 -0.607 4.610 423 2HG2 VAL 49 2HG2 VAL 49 0.164 0.603 3.362 424 3HG2 VAL 49 3HG2 VAL 49 0.475 -1.073 2.909 425 H ALA 50 H ALA 50 -4.016 0.090 5.657 426 HA ALA 50 HA ALA 50 -6.098 -0.830 3.847 427 1HB ALA 50 1HB ALA 50 -7.503 -0.695 6.003 428 2HB ALA 50 2HB ALA 50 -5.999 -0.251 6.811 429 3HB ALA 50 3HB ALA 50 -6.141 -1.815 6.009 430 H SER 51 H SER 51 -5.092 2.212 5.107 431 HA SER 51 HA SER 51 -7.650 3.564 4.862 432 1HB SER 51 2HB SER 51 -4.805 4.420 5.271 433 2HB SER 51 1HB SER 51 -6.000 5.623 4.792 434 HG SER 51 HG SER 51 -7.119 5.250 6.629 435 H HIS 52 H HIS 52 -4.698 3.444 2.834 436 HA HIS 52 HA HIS 52 -5.703 5.109 0.748 437 1HB HIS 52 2HB HIS 52 -3.327 4.473 0.903 438 2HB HIS 52 1HB HIS 52 -3.749 2.794 0.562 439 HD1 HIS 52 1HD HIS 52 -5.609 5.448 -1.265 440 HD2 HIS 52 2HD HIS 52 -2.316 2.982 -1.946 441 HE1 HIS 52 1HE HIS 52 -5.109 5.589 -3.744 442 H LEU 53 H LEU 53 -6.020 1.636 1.354 443 HA LEU 53 HA LEU 53 -7.249 0.963 -1.148 444 1HB LEU 53 2HB LEU 53 -6.330 -0.722 0.414 445 2HB LEU 53 1HB LEU 53 -7.601 -0.334 1.574 446 HG LEU 53 HG LEU 53 -9.161 -0.814 -0.540 447 1HD1 LEU 53 1HD1 LEU 53 -8.286 -2.510 -1.991 448 2HD1 LEU 53 2HD1 LEU 53 -6.836 -2.697 -1.005 449 3HD1 LEU 53 3HD1 LEU 53 -7.077 -1.226 -1.948 450 1HD2 LEU 53 1HD2 LEU 53 -7.866 -2.826 1.317 451 2HD2 LEU 53 2HD2 LEU 53 -9.210 -3.243 0.253 452 3HD2 LEU 53 3HD2 LEU 53 -9.426 -2.026 1.511 453 H GLN 54 H GLN 54 -8.618 1.935 1.999 454 HA GLN 54 HA GLN 54 -11.364 1.716 1.145 455 1HB GLN 54 2HB GLN 54 -9.920 2.939 3.457 456 2HB GLN 54 1HB GLN 54 -11.569 3.483 3.139 457 1HG GLN 54 2HG GLN 54 -12.220 1.018 3.038 458 2HG GLN 54 1HG GLN 54 -10.624 0.665 3.700 459 1HE2 GLN 54 1HE2 GLN 54 -11.998 -0.188 5.596 460 2HE2 GLN 54 2HE2 GLN 54 -12.480 0.930 6.779 461 H LYS 55 H LYS 55 -8.903 4.160 0.790 462 HA LYS 55 HA LYS 55 -10.702 6.350 0.207 463 1HB LYS 55 2HB LYS 55 -7.769 5.836 -0.062 464 2HB LYS 55 1HB LYS 55 -8.465 7.153 -1.008 465 1HG LYS 55 2HG LYS 55 -9.591 7.371 1.573 466 2HG LYS 55 1HG LYS 55 -7.869 7.077 1.816 467 1HD LYS 55 2HD LYS 55 -7.999 8.901 -0.314 468 2HD LYS 55 1HD LYS 55 -9.194 9.472 0.853 469 1HE LYS 55 2HE LYS 55 -7.482 9.347 2.643 470 2HE LYS 55 1HE LYS 55 -6.290 8.830 1.451 471 1HZ LYS 55 1HZ LYS 55 -7.153 10.995 0.255 472 2HZ LYS 55 2HZ LYS 55 -5.917 11.052 1.418 473 3HZ LYS 55 3HZ LYS 55 -7.511 11.455 1.848 474 H PHE 56 H PHE 56 -9.270 3.752 -1.671 475 HA PHE 56 HA PHE 56 -9.795 4.890 -4.268 476 1HB PHE 56 2HB PHE 56 -8.235 2.966 -3.833 477 2HB PHE 56 1HB PHE 56 -9.642 1.951 -3.519 478 HD1 PHE 56 1HD PHE 56 -9.591 0.438 -5.350 479 HD2 PHE 56 2HD PHE 56 -9.320 4.666 -6.056 480 HE1 PHE 56 1HE PHE 56 -9.850 0.047 -7.784 481 HE2 PHE 56 2HE PHE 56 -9.580 4.275 -8.492 482 HZ PHE 56 HZ PHE 56 -9.845 1.966 -9.355 483 H ARG 57 H ARG 57 -11.628 2.558 -2.246 484 HA ARG 57 HA ARG 57 -13.813 2.191 -4.011 485 1HB ARG 57 2HB ARG 57 -13.541 2.148 -1.010 486 2HB ARG 57 1HB ARG 57 -15.140 2.019 -1.744 487 1HG ARG 57 2HG ARG 57 -14.510 -0.224 -1.616 488 2HG ARG 57 1HG ARG 57 -13.991 0.194 -3.250 489 1HD ARG 57 2HD ARG 57 -11.713 0.654 -2.396 490 2HD ARG 57 1HD ARG 57 -12.236 0.189 -0.777 491 HE ARG 57 HE ARG 57 -11.709 -1.642 -3.012 492 1HH1 ARG 57 1HH2 ARG 57 -11.029 -1.868 0.002 493 2HH1 ARG 57 2HH2 ARG 57 -12.052 -3.191 0.449 494 1HH2 ARG 57 1HH1 ARG 57 -13.978 -3.023 -2.430 495 2HH2 ARG 57 2HH1 ARG 57 -13.722 -3.844 -0.927 496 H VAL 58 H VAL 58 -13.087 4.786 -1.719 497 HA VAL 58 HA VAL 58 -15.559 6.214 -2.021 498 HB VAL 58 HB VAL 58 -12.755 7.104 -1.289 499 1HG1 VAL 58 1HG1 VAL 58 -14.333 9.102 -0.378 500 2HG1 VAL 58 2HG1 VAL 58 -15.219 8.669 -1.841 501 3HG1 VAL 58 3HG1 VAL 58 -13.529 9.159 -1.947 502 1HG2 VAL 58 1HG2 VAL 58 -15.250 6.984 0.417 503 2HG2 VAL 58 2HG2 VAL 58 -13.574 7.109 0.952 504 3HG2 VAL 58 3HG2 VAL 58 -14.164 5.604 0.244 505 H ALA 59 H ALA 59 -12.476 6.256 -3.760 506 HA ALA 59 HA ALA 59 -13.229 8.384 -5.574 507 1HB ALA 59 1HB ALA 59 -11.204 7.895 -6.719 508 2HB ALA 59 2HB ALA 59 -11.196 6.225 -6.151 509 3HB ALA 59 3HB ALA 59 -10.853 7.541 -5.027 510 H LEU 60 H LEU 60 -14.059 5.099 -5.277 511 HA LEU 60 HA LEU 60 -14.711 4.765 -8.141 512 1HB LEU 60 2HB LEU 60 -14.554 2.991 -5.741 513 2HB LEU 60 1HB LEU 60 -15.648 2.516 -7.036 514 HG LEU 60 HG LEU 60 -12.749 3.254 -7.502 515 1HD1 LEU 60 1HD1 LEU 60 -13.513 0.436 -7.793 516 2HD1 LEU 60 2HD1 LEU 60 -13.630 1.017 -6.131 517 3HD1 LEU 60 3HD1 LEU 60 -12.102 1.141 -7.003 518 1HD2 LEU 60 1HD2 LEU 60 -14.798 3.144 -9.283 519 2HD2 LEU 60 2HD2 LEU 60 -14.276 1.459 -9.309 520 3HD2 LEU 60 3HD2 LEU 60 -13.132 2.744 -9.701 521 H LYS 61 H LYS 61 -16.201 5.657 -5.149 522 HA LYS 61 HA LYS 61 -18.925 5.087 -6.121 523 1HB LYS 61 2HB LYS 61 -18.037 4.965 -3.653 524 2HB LYS 61 1HB LYS 61 -18.315 6.707 -3.667 525 1HG LYS 61 2HG LYS 61 -20.560 6.453 -3.581 526 2HG LYS 61 1HG LYS 61 -20.544 5.194 -4.816 527 1HD LYS 61 2HD LYS 61 -19.754 3.569 -3.095 528 2HD LYS 61 1HD LYS 61 -19.911 4.833 -1.874 529 1HE LYS 61 2HE LYS 61 -22.145 4.547 -1.741 530 2HE LYS 61 1HE LYS 61 -22.321 4.594 -3.496 531 1HZ LYS 61 1HZ LYS 61 -21.658 2.268 -1.791 532 2HZ LYS 61 2HZ LYS 61 -21.419 2.259 -3.473 533 3HZ LYS 61 3HZ LYS 61 -22.981 2.456 -2.834 534 H LYS 62 H LYS 62 -17.408 8.032 -4.794 535 HA LYS 62 HA LYS 62 -19.190 9.651 -6.523 536 1HB LYS 62 2HB LYS 62 -17.257 10.487 -4.338 537 2HB LYS 62 1HB LYS 62 -18.376 11.560 -5.178 538 1HG LYS 62 2HG LYS 62 -20.282 10.234 -4.351 539 2HG LYS 62 1HG LYS 62 -19.168 9.151 -3.514 540 1HD LYS 62 2HD LYS 62 -20.198 10.974 -2.068 541 2HD LYS 62 1HD LYS 62 -18.436 10.897 -2.044 542 1HE LYS 62 2HE LYS 62 -18.194 12.844 -3.271 543 2HE LYS 62 1HE LYS 62 -19.743 12.643 -4.090 544 1HZ LYS 62 1HZ LYS 62 -19.150 13.832 -1.499 545 2HZ LYS 62 2HZ LYS 62 -20.578 12.918 -1.601 546 3HZ LYS 62 3HZ LYS 62 -20.340 14.244 -2.635 547 H VAL 63 H VAL 63 -17.654 8.563 -8.289 548 HA VAL 63 HA VAL 63 -15.003 9.482 -8.672 549 HB VAL 63 HB VAL 63 -15.254 8.821 -10.965 550 1HG1 VAL 63 1HG1 VAL 63 -17.274 6.928 -10.103 551 2HG1 VAL 63 2HG1 VAL 63 -16.101 7.212 -8.818 552 3HG1 VAL 63 3HG1 VAL 63 -15.556 6.659 -10.401 553 1HG2 VAL 63 1HG2 VAL 63 -18.144 9.461 -10.440 554 2HG2 VAL 63 2HG2 VAL 63 -17.731 8.300 -11.702 555 3HG2 VAL 63 3HG2 VAL 63 -17.125 9.954 -11.792 556 H SER 64 H SER 64 -14.521 10.991 -10.709 557 HA SER 64 HA SER 64 -15.831 13.573 -10.079 558 1HB SER 64 2HB SER 64 -13.663 13.472 -12.096 559 2HB SER 64 1HB SER 64 -13.885 14.570 -10.737 560 HG SER 64 HG SER 64 -12.114 13.126 -10.447 Start of MODEL 12 1 1H THR 1 1HT THR 1 25.096 12.875 -6.360 2 2H THR 1 2HT THR 1 24.648 11.780 -7.579 3 3H THR 1 3HT THR 1 25.695 11.288 -6.334 4 HA THR 1 HA THR 1 22.849 12.067 -5.998 5 HB THR 1 HB THR 1 23.455 9.405 -5.152 6 HG1 THR 1 1HG THR 1 24.354 8.538 -6.916 7 1HG2 THR 1 1HG2 THR 1 21.250 10.131 -5.834 8 2HG2 THR 1 2HG2 THR 1 21.778 8.868 -6.946 9 3HG2 THR 1 3HG2 THR 1 21.840 10.561 -7.438 10 H ALA 2 H ALA 2 22.242 12.371 -3.869 11 HA ALA 2 HA ALA 2 23.907 11.424 -1.660 12 1HB ALA 2 1HB ALA 2 24.676 13.499 -0.843 13 2HB ALA 2 2HB ALA 2 23.569 14.414 -1.867 14 3HB ALA 2 3HB ALA 2 24.968 13.609 -2.578 15 H GLN 3 H GLN 3 22.807 11.636 0.367 16 HA GLN 3 HA GLN 3 20.902 11.748 1.733 17 1HB GLN 3 2HB GLN 3 20.792 14.140 0.010 18 2HB GLN 3 1HB GLN 3 19.233 13.646 0.669 19 1HG GLN 3 2HG GLN 3 19.886 14.803 2.514 20 2HG GLN 3 1HG GLN 3 20.856 13.371 2.860 21 1HE2 GLN 3 1HE2 GLN 3 21.636 16.055 3.660 22 2HE2 GLN 3 2HE2 GLN 3 23.060 16.442 2.823 23 H LYS 4 H LYS 4 19.840 9.819 1.372 24 HA LYS 4 HA LYS 4 18.427 9.263 -1.112 25 1HB LYS 4 2HB LYS 4 17.509 7.311 0.300 26 2HB LYS 4 1HB LYS 4 19.252 7.351 0.029 27 1HG LYS 4 2HG LYS 4 19.702 7.709 2.223 28 2HG LYS 4 1HG LYS 4 18.389 8.875 2.392 29 1HD LYS 4 2HD LYS 4 16.984 7.315 3.225 30 2HD LYS 4 1HD LYS 4 17.404 6.159 1.960 31 1HE LYS 4 2HE LYS 4 18.577 4.995 3.488 32 2HE LYS 4 1HE LYS 4 19.686 6.361 3.608 33 1HZ LYS 4 1HZ LYS 4 18.041 7.343 5.212 34 2HZ LYS 4 2HZ LYS 4 18.879 5.972 5.767 35 3HZ LYS 4 3HZ LYS 4 17.270 5.832 5.238 36 H LYS 5 H LYS 5 15.998 8.262 -0.448 37 HA LYS 5 HA LYS 5 14.391 10.610 -0.120 38 1HB LYS 5 2HB LYS 5 12.487 8.993 0.034 39 2HB LYS 5 1HB LYS 5 13.540 8.685 -1.348 40 1HG LYS 5 2HG LYS 5 14.793 7.123 0.409 41 2HG LYS 5 1HG LYS 5 13.201 7.104 1.166 42 1HD LYS 5 2HD LYS 5 13.146 5.274 -0.334 43 2HD LYS 5 1HD LYS 5 12.292 6.560 -1.188 44 1HE LYS 5 2HE LYS 5 15.155 6.700 -1.670 45 2HE LYS 5 1HE LYS 5 14.507 5.125 -2.128 46 1HZ LYS 5 1HZ LYS 5 14.334 6.650 -3.963 47 2HZ LYS 5 2HZ LYS 5 13.489 7.773 -3.009 48 3HZ LYS 5 3HZ LYS 5 12.779 6.281 -3.399 49 HA PRO 6 HA PRO 6 14.444 10.735 4.313 50 1HB PRO 6 2HB PRO 6 12.616 12.771 4.570 51 2HB PRO 6 1HB PRO 6 14.307 13.026 4.108 52 1HG PRO 6 2HG PRO 6 11.862 13.142 2.409 53 2HG PRO 6 1HG PRO 6 13.423 13.949 2.185 54 1HD PRO 6 2HD PRO 6 12.535 11.626 0.821 55 2HD PRO 6 1HD PRO 6 14.191 12.268 0.833 56 H ARG 7 H ARG 7 13.271 9.613 5.829 57 HA ARG 7 HA ARG 7 11.600 8.106 6.560 58 1HB ARG 7 2HB ARG 7 9.353 9.413 6.738 59 2HB ARG 7 1HB ARG 7 10.747 10.002 7.643 60 1HG ARG 7 2HG ARG 7 11.254 11.597 5.824 61 2HG ARG 7 1HG ARG 7 9.847 11.018 4.930 62 1HD ARG 7 2HD ARG 7 8.583 12.506 6.047 63 2HD ARG 7 1HD ARG 7 8.929 11.625 7.535 64 HE ARG 7 HE ARG 7 11.060 13.128 7.586 65 1HH1 ARG 7 1HH1 ARG 7 7.803 13.963 7.197 66 2HH1 ARG 7 2HH1 ARG 7 8.091 15.661 7.011 67 1HH2 ARG 7 1HH2 ARG 7 11.542 15.336 6.921 68 2HH2 ARG 7 2HH2 ARG 7 10.208 16.438 6.857 69 H VAL 8 H VAL 8 11.404 6.490 4.973 70 HA VAL 8 HA VAL 8 9.873 6.943 2.532 71 HB VAL 8 HB VAL 8 11.239 4.598 3.816 72 1HG1 VAL 8 1HG1 VAL 8 10.278 3.295 1.744 73 2HG1 VAL 8 2HG1 VAL 8 8.968 4.469 1.855 74 3HG1 VAL 8 3HG1 VAL 8 9.315 3.407 3.218 75 1HG2 VAL 8 1HG2 VAL 8 11.517 6.339 1.477 76 2HG2 VAL 8 2HG2 VAL 8 11.680 4.628 1.079 77 3HG2 VAL 8 3HG2 VAL 8 12.733 5.356 2.292 78 H LEU 9 H LEU 9 7.816 7.664 3.318 79 HA LEU 9 HA LEU 9 6.270 5.685 4.923 80 1HB LEU 9 2HB LEU 9 6.405 8.172 5.566 81 2HB LEU 9 1HB LEU 9 5.377 8.471 4.163 82 HG LEU 9 HG LEU 9 3.672 6.952 5.063 83 1HD1 LEU 9 1HD1 LEU 9 4.245 6.425 7.654 84 2HD1 LEU 9 2HD1 LEU 9 5.870 6.362 6.972 85 3HD1 LEU 9 3HD1 LEU 9 4.609 5.301 6.346 86 1HD2 LEU 9 1HD2 LEU 9 3.249 8.262 7.268 87 2HD2 LEU 9 2HD2 LEU 9 3.312 9.179 5.763 88 3HD2 LEU 9 3HD2 LEU 9 4.707 9.158 6.841 89 H TRP 10 H TRP 10 6.252 7.471 1.865 90 HA TRP 10 HA TRP 10 4.786 5.393 0.514 91 1HB TRP 10 2HB TRP 10 3.278 7.733 1.607 92 2HB TRP 10 1HB TRP 10 2.847 7.157 -0.003 93 HD1 TRP 10 HD TRP 10 1.845 6.661 3.394 94 HE1 TRP 10 1HE TRP 10 0.763 4.351 3.770 95 HE3 TRP 10 3HE TRP 10 3.330 4.284 -0.876 96 HZ2 TRP 10 2HZ TRP 10 0.554 1.830 2.437 97 HZ3 TRP 10 3HZ TRP 10 2.675 1.931 -1.297 98 HH2 TRP 10 HH TRP 10 1.291 0.701 0.353 99 H THR 11 H THR 11 6.879 5.992 -0.624 100 HA THR 11 HA THR 11 6.483 8.378 -2.388 101 HB THR 11 HB THR 11 9.018 8.061 -2.778 102 HG1 THR 11 1HG THR 11 10.001 7.019 -0.943 103 1HG2 THR 11 1HG2 THR 11 7.855 9.816 -1.327 104 2HG2 THR 11 2HG2 THR 11 9.536 9.464 -0.924 105 3HG2 THR 11 3HG2 THR 11 8.233 8.780 0.049 106 H HIS 12 H HIS 12 7.724 7.986 -4.584 107 HA HIS 12 HA HIS 12 6.386 6.033 -6.073 108 1HB HIS 12 2HB HIS 12 7.595 7.804 -7.195 109 2HB HIS 12 1HB HIS 12 9.127 7.240 -6.529 110 HD1 HIS 12 1HD HIS 12 6.307 5.796 -8.667 111 HD2 HIS 12 2HD HIS 12 10.450 5.559 -8.269 112 HE1 HIS 12 1HE HIS 12 7.117 4.260 -10.510 113 H GLU 13 H GLU 13 9.144 5.677 -3.979 114 HA GLU 13 HA GLU 13 10.011 3.114 -5.037 115 1HB GLU 13 2HB GLU 13 11.360 4.773 -3.585 116 2HB GLU 13 1HB GLU 13 10.478 4.093 -2.220 117 1HG GLU 13 2HG GLU 13 11.904 2.355 -2.177 118 2HG GLU 13 1HG GLU 13 11.392 1.912 -3.806 119 H LEU 14 H LEU 14 8.261 4.057 -2.061 120 HA LEU 14 HA LEU 14 7.623 1.409 -1.244 121 1HB LEU 14 2HB LEU 14 6.560 4.131 -0.648 122 2HB LEU 14 1HB LEU 14 5.553 2.754 -0.204 123 HG LEU 14 HG LEU 14 8.432 3.202 0.624 124 1HD1 LEU 14 1HD1 LEU 14 7.005 4.608 1.931 125 2HD1 LEU 14 2HD1 LEU 14 7.310 3.183 2.926 126 3HD1 LEU 14 3HD1 LEU 14 5.777 3.350 2.069 127 1HD2 LEU 14 1HD2 LEU 14 7.758 1.161 2.128 128 2HD2 LEU 14 2HD2 LEU 14 8.251 0.872 0.459 129 3HD2 LEU 14 3HD2 LEU 14 6.540 0.878 0.885 130 H HIS 15 H HIS 15 6.333 3.372 -3.777 131 HA HIS 15 HA HIS 15 3.751 2.042 -3.947 132 1HB HIS 15 2HB HIS 15 4.372 4.365 -4.862 133 2HB HIS 15 1HB HIS 15 5.147 3.506 -6.193 134 HD1 HIS 15 1HD HIS 15 2.423 1.437 -5.266 135 HD2 HIS 15 2HD HIS 15 2.711 4.998 -7.415 136 HE1 HIS 15 1HE HIS 15 0.292 1.630 -6.624 137 H ASN 16 H ASN 16 6.958 1.483 -5.249 138 HA ASN 16 HA ASN 16 6.160 -0.343 -7.332 139 1HB ASN 16 2HB ASN 16 8.724 0.319 -5.929 140 2HB ASN 16 1HB ASN 16 8.646 -1.153 -6.899 141 1HD2 ASN 16 1HD2 ASN 16 10.258 1.162 -7.621 142 2HD2 ASN 16 2HD2 ASN 16 9.634 1.782 -9.072 143 H LYS 17 H LYS 17 7.197 -0.818 -3.946 144 HA LYS 17 HA LYS 17 7.024 -3.706 -4.104 145 1HB LYS 17 2HB LYS 17 6.837 -1.980 -1.618 146 2HB LYS 17 1HB LYS 17 7.326 -3.673 -1.706 147 1HG LYS 17 2HG LYS 17 9.317 -3.080 -2.979 148 2HG LYS 17 1HG LYS 17 8.810 -1.391 -3.043 149 1HD LYS 17 2HD LYS 17 8.754 -1.607 -0.420 150 2HD LYS 17 1HD LYS 17 9.838 -2.969 -0.704 151 1HE LYS 17 2HE LYS 17 10.257 -0.077 -1.487 152 2HE LYS 17 1HE LYS 17 11.249 -1.060 -0.408 153 1HZ LYS 17 1HZ LYS 17 12.446 -1.208 -2.325 154 2HZ LYS 17 2HZ LYS 17 11.085 -1.090 -3.334 155 3HZ LYS 17 3HZ LYS 17 11.430 -2.549 -2.534 156 H PHE 18 H PHE 18 4.808 -1.134 -3.094 157 HA PHE 18 HA PHE 18 2.771 -2.960 -2.136 158 1HB PHE 18 2HB PHE 18 2.811 -0.681 -1.308 159 2HB PHE 18 1HB PHE 18 2.662 -0.041 -2.944 160 HD1 PHE 18 1HD PHE 18 0.542 0.395 -3.842 161 HD2 PHE 18 2HD PHE 18 0.911 -2.277 -0.501 162 HE1 PHE 18 1HE PHE 18 -1.929 0.268 -3.674 163 HE2 PHE 18 2HE PHE 18 -1.560 -2.406 -0.332 164 HZ PHE 18 HZ PHE 18 -2.979 -1.134 -1.918 165 H LEU 19 H LEU 19 3.679 -1.738 -5.265 166 HA LEU 19 HA LEU 19 1.073 -2.349 -6.468 167 1HB LEU 19 2HB LEU 19 3.689 -1.274 -7.431 168 2HB LEU 19 1HB LEU 19 2.632 -2.044 -8.616 169 HG LEU 19 HG LEU 19 1.623 0.060 -6.699 170 1HD1 LEU 19 1HD1 LEU 19 3.018 1.473 -7.827 171 2HD1 LEU 19 2HD1 LEU 19 1.795 1.348 -9.091 172 3HD1 LEU 19 3HD1 LEU 19 3.243 0.343 -9.164 173 1HD2 LEU 19 1HD2 LEU 19 -0.346 -0.341 -7.720 174 2HD2 LEU 19 2HD2 LEU 19 0.416 -1.678 -8.580 175 3HD2 LEU 19 3HD2 LEU 19 0.383 -0.070 -9.303 176 H ALA 20 H ALA 20 4.295 -3.847 -6.324 177 HA ALA 20 HA ALA 20 3.501 -6.040 -8.077 178 1HB ALA 20 1HB ALA 20 5.876 -5.671 -6.225 179 2HB ALA 20 2HB ALA 20 5.853 -5.444 -7.974 180 3HB ALA 20 3HB ALA 20 5.668 -7.060 -7.293 181 H ALA 21 H ALA 21 3.307 -5.336 -4.678 182 HA ALA 21 HA ALA 21 2.963 -8.114 -3.858 183 1HB ALA 21 1HB ALA 21 2.265 -7.125 -1.695 184 2HB ALA 21 2HB ALA 21 2.264 -5.525 -2.433 185 3HB ALA 21 3HB ALA 21 3.775 -6.417 -2.263 186 H VAL 22 H VAL 22 0.834 -5.383 -4.636 187 HA VAL 22 HA VAL 22 -1.613 -6.801 -3.985 188 HB VAL 22 HB VAL 22 -1.270 -4.508 -5.938 189 1HG1 VAL 22 1HG1 VAL 22 -3.488 -5.962 -5.372 190 2HG1 VAL 22 2HG1 VAL 22 -3.533 -4.253 -5.806 191 3HG1 VAL 22 3HG1 VAL 22 -3.591 -4.735 -4.109 192 1HG2 VAL 22 1HG2 VAL 22 -2.021 -3.970 -3.124 193 2HG2 VAL 22 2HG2 VAL 22 -1.002 -3.033 -4.217 194 3HG2 VAL 22 3HG2 VAL 22 -0.342 -4.442 -3.387 195 H ASP 23 H ASP 23 0.123 -6.079 -6.993 196 HA ASP 23 HA ASP 23 -1.619 -7.423 -8.788 197 1HB ASP 23 2HB ASP 23 0.464 -5.908 -9.207 198 2HB ASP 23 1HB ASP 23 1.367 -7.412 -9.116 199 H HIS 24 H HIS 24 1.138 -8.580 -6.879 200 HA HIS 24 HA HIS 24 1.316 -11.200 -7.937 201 1HB HIS 24 2HB HIS 24 2.940 -10.216 -6.322 202 2HB HIS 24 1HB HIS 24 1.731 -10.375 -5.048 203 HD1 HIS 24 1HD HIS 24 2.419 -12.330 -3.652 204 HD2 HIS 24 2HD HIS 24 2.869 -13.114 -7.722 205 HE1 HIS 24 1HE HIS 24 3.137 -14.752 -3.841 206 H LEU 25 H LEU 25 -1.023 -9.786 -5.747 207 HA LEU 25 HA LEU 25 -2.237 -12.481 -5.323 208 1HB LEU 25 2HB LEU 25 -3.044 -9.909 -3.955 209 2HB LEU 25 1HB LEU 25 -3.371 -11.563 -3.438 210 HG LEU 25 HG LEU 25 -0.516 -10.749 -3.769 211 1HD1 LEU 25 1HD1 LEU 25 -0.701 -9.037 -2.311 212 2HD1 LEU 25 2HD1 LEU 25 -1.161 -10.222 -1.088 213 3HD1 LEU 25 3HD1 LEU 25 -2.404 -9.394 -2.025 214 1HD2 LEU 25 1HD2 LEU 25 -1.907 -12.975 -2.822 215 2HD2 LEU 25 2HD2 LEU 25 -1.369 -12.158 -1.355 216 3HD2 LEU 25 3HD2 LEU 25 -0.192 -12.645 -2.575 217 H GLY 26 H GLY 26 -2.531 -9.745 -7.273 218 1HA GLY 26 2HA GLY 26 -4.169 -9.466 -8.991 219 2HA GLY 26 1HA GLY 26 -5.205 -10.628 -8.156 220 H VAL 27 H VAL 27 -4.707 -7.348 -8.737 221 HA VAL 27 HA VAL 27 -5.441 -6.012 -6.404 222 HB VAL 27 HB VAL 27 -4.915 -4.876 -8.547 223 1HG1 VAL 27 1HG1 VAL 27 -6.069 -6.203 -10.156 224 2HG1 VAL 27 2HG1 VAL 27 -6.902 -4.649 -10.153 225 3HG1 VAL 27 3HG1 VAL 27 -7.605 -6.028 -9.307 226 1HG2 VAL 27 1HG2 VAL 27 -7.570 -4.236 -7.235 227 2HG2 VAL 27 2HG2 VAL 27 -6.802 -3.172 -8.413 228 3HG2 VAL 27 3HG2 VAL 27 -5.998 -3.520 -6.882 229 H GLU 28 H GLU 28 -7.348 -8.149 -8.350 230 HA GLU 28 HA GLU 28 -9.952 -7.269 -7.481 231 1HB GLU 28 2HB GLU 28 -9.501 -8.755 -9.464 232 2HB GLU 28 1HB GLU 28 -9.142 -10.062 -8.334 233 1HG GLU 28 2HG GLU 28 -11.334 -10.484 -8.055 234 2HG GLU 28 1HG GLU 28 -11.633 -8.804 -7.603 235 H ARG 29 H ARG 29 -7.772 -9.845 -6.307 236 HA ARG 29 HA ARG 29 -9.493 -10.043 -3.869 237 1HB ARG 29 2HB ARG 29 -7.683 -12.022 -5.255 238 2HB ARG 29 1HB ARG 29 -8.187 -12.253 -3.581 239 1HG ARG 29 2HG ARG 29 -10.468 -12.426 -4.164 240 2HG ARG 29 1HG ARG 29 -10.207 -11.698 -5.749 241 1HD ARG 29 2HD ARG 29 -9.465 -13.656 -6.679 242 2HD ARG 29 1HD ARG 29 -8.688 -14.189 -5.187 243 HE ARG 29 HE ARG 29 -10.818 -15.058 -4.435 244 1HH1 ARG 29 1HH2 ARG 29 -10.640 -16.001 -7.337 245 2HH1 ARG 29 2HH2 ARG 29 -12.238 -15.637 -7.901 246 1HH2 ARG 29 1HH1 ARG 29 -12.985 -13.539 -5.242 247 2HH2 ARG 29 2HH1 ARG 29 -13.565 -14.244 -6.714 248 H ALA 30 H ALA 30 -7.013 -8.271 -4.683 249 HA ALA 30 HA ALA 30 -4.994 -9.052 -2.738 250 1HB ALA 30 1HB ALA 30 -4.938 -7.460 -4.942 251 2HB ALA 30 2HB ALA 30 -3.722 -7.405 -3.666 252 3HB ALA 30 3HB ALA 30 -5.050 -6.244 -3.670 253 H VAL 31 H VAL 31 -5.268 -8.793 -0.597 254 HA VAL 31 HA VAL 31 -6.981 -6.534 0.352 255 HB VAL 31 HB VAL 31 -6.922 -7.968 2.535 256 1HG1 VAL 31 1HG1 VAL 31 -8.588 -9.628 1.065 257 2HG1 VAL 31 2HG1 VAL 31 -8.521 -8.163 0.086 258 3HG1 VAL 31 3HG1 VAL 31 -9.049 -8.078 1.766 259 1HG2 VAL 31 1HG2 VAL 31 -6.183 -10.142 2.413 260 2HG2 VAL 31 2HG2 VAL 31 -5.138 -9.463 1.165 261 3HG2 VAL 31 3HG2 VAL 31 -6.620 -10.303 0.712 262 HA PRO 32 HA PRO 32 -3.465 -4.761 2.262 263 1HB PRO 32 2HB PRO 32 -4.608 -3.665 4.517 264 2HB PRO 32 1HB PRO 32 -4.801 -2.990 2.890 265 1HG PRO 32 2HG PRO 32 -6.757 -4.546 4.525 266 2HG PRO 32 1HG PRO 32 -7.058 -3.334 3.269 267 1HD PRO 32 2HD PRO 32 -7.260 -6.127 2.929 268 2HD PRO 32 1HD PRO 32 -7.172 -4.928 1.620 269 H LYS 33 H LYS 33 -5.419 -6.984 4.156 270 HA LYS 33 HA LYS 33 -3.597 -7.255 6.369 271 1HB LYS 33 2HB LYS 33 -5.853 -8.014 6.670 272 2HB LYS 33 1HB LYS 33 -5.763 -9.043 5.242 273 1HG LYS 33 2HG LYS 33 -3.745 -9.527 7.379 274 2HG LYS 33 1HG LYS 33 -5.404 -10.019 7.718 275 1HD LYS 33 2HD LYS 33 -5.246 -11.042 5.273 276 2HD LYS 33 1HD LYS 33 -3.519 -11.035 5.627 277 1HE LYS 33 2HE LYS 33 -3.841 -12.388 7.596 278 2HE LYS 33 1HE LYS 33 -5.594 -12.234 7.480 279 1HZ LYS 33 1HZ LYS 33 -5.561 -14.068 6.261 280 2HZ LYS 33 2HZ LYS 33 -3.864 -14.073 6.181 281 3HZ LYS 33 3HZ LYS 33 -4.769 -13.199 5.039 282 H LYS 34 H LYS 34 -4.139 -9.259 3.454 283 HA LYS 34 HA LYS 34 -1.893 -10.988 4.015 284 1HB LYS 34 2HB LYS 34 -3.634 -10.474 1.615 285 2HB LYS 34 1HB LYS 34 -2.166 -11.434 1.439 286 1HG LYS 34 2HG LYS 34 -3.813 -12.168 3.770 287 2HG LYS 34 1HG LYS 34 -4.595 -12.448 2.214 288 1HD LYS 34 2HD LYS 34 -2.223 -13.470 1.591 289 2HD LYS 34 1HD LYS 34 -2.113 -13.686 3.338 290 1HE LYS 34 2HE LYS 34 -4.719 -14.505 2.594 291 2HE LYS 34 1HE LYS 34 -3.614 -15.233 1.427 292 1HZ LYS 34 1HZ LYS 34 -2.452 -16.328 3.086 293 2HZ LYS 34 2HZ LYS 34 -4.063 -16.462 3.611 294 3HZ LYS 34 3HZ LYS 34 -3.027 -15.313 4.317 295 H ILE 35 H ILE 35 -2.324 -8.103 1.947 296 HA ILE 35 HA ILE 35 0.332 -8.176 0.885 297 HB ILE 35 HB ILE 35 -1.622 -5.908 1.294 298 1HG1 ILE 35 2HG1 ILE 35 -0.871 -7.814 -0.886 299 2HG1 ILE 35 1HG1 ILE 35 -2.452 -7.167 -0.463 300 1HG2 ILE 35 1HG2 ILE 35 0.667 -5.007 1.403 301 2HG2 ILE 35 2HG2 ILE 35 -0.092 -4.560 -0.125 302 3HG2 ILE 35 3HG2 ILE 35 1.088 -5.869 -0.078 303 1HD1 ILE 35 1HD1 ILE 35 -0.396 -6.086 -2.300 304 2HD1 ILE 35 2HD1 ILE 35 -1.193 -4.893 -1.275 305 3HD1 ILE 35 3HD1 ILE 35 -2.151 -5.914 -2.347 306 H LEU 36 H LEU 36 -0.960 -7.184 3.968 307 HA LEU 36 HA LEU 36 1.073 -5.449 4.873 308 1HB LEU 36 2HB LEU 36 -0.834 -5.876 6.299 309 2HB LEU 36 1HB LEU 36 -0.470 -7.601 6.354 310 HG LEU 36 HG LEU 36 1.787 -6.919 7.386 311 1HD1 LEU 36 1HD1 LEU 36 0.816 -4.559 8.646 312 2HD1 LEU 36 2HD1 LEU 36 0.619 -4.342 6.907 313 3HD1 LEU 36 3HD1 LEU 36 2.208 -4.718 7.575 314 1HD2 LEU 36 1HD2 LEU 36 0.635 -7.800 9.120 315 2HD2 LEU 36 2HD2 LEU 36 -0.883 -7.111 8.547 316 3HD2 LEU 36 3HD2 LEU 36 0.200 -6.147 9.550 317 H ASP 37 H ASP 37 1.019 -8.969 4.544 318 HA ASP 37 HA ASP 37 3.641 -9.334 5.768 319 1HB ASP 37 2HB ASP 37 2.390 -11.246 3.797 320 2HB ASP 37 1HB ASP 37 3.413 -11.611 5.187 321 H LEU 38 H LEU 38 2.379 -8.787 2.532 322 HA LEU 38 HA LEU 38 4.706 -9.408 1.023 323 1HB LEU 38 2HB LEU 38 2.341 -7.599 0.616 324 2HB LEU 38 1HB LEU 38 3.687 -7.537 -0.523 325 HG LEU 38 HG LEU 38 2.644 -10.231 0.223 326 1HD1 LEU 38 1HD1 LEU 38 0.545 -9.811 -0.474 327 2HD1 LEU 38 2HD1 LEU 38 1.198 -9.410 -2.063 328 3HD1 LEU 38 3HD1 LEU 38 0.966 -8.143 -0.860 329 1HD2 LEU 38 1HD2 LEU 38 3.010 -10.332 -2.393 330 2HD2 LEU 38 2HD2 LEU 38 4.400 -10.352 -1.307 331 3HD2 LEU 38 3HD2 LEU 38 3.934 -8.855 -2.114 332 H MET 39 H MET 39 3.786 -6.495 2.823 333 HA MET 39 HA MET 39 6.066 -4.964 1.821 334 1HB MET 39 2HB MET 39 3.894 -4.523 3.837 335 2HB MET 39 1HB MET 39 5.341 -3.517 3.923 336 1HG MET 39 2HG MET 39 3.849 -3.917 1.330 337 2HG MET 39 1HG MET 39 3.403 -2.645 2.467 338 1HE MET 39 1HE MET 39 4.974 -0.587 -0.157 339 2HE MET 39 2HE MET 39 4.415 -0.127 1.449 340 3HE MET 39 3HE MET 39 3.535 -1.350 0.537 341 H ASN 40 H ASN 40 5.224 -6.531 4.920 342 HA ASN 40 HA ASN 40 6.600 -7.178 6.708 343 1HB ASN 40 2HB ASN 40 7.471 -8.711 4.981 344 2HB ASN 40 1HB ASN 40 8.603 -7.467 4.447 345 1HD2 ASN 40 1HD2 ASN 40 10.415 -8.925 5.056 346 2HD2 ASN 40 2HD2 ASN 40 10.847 -9.108 6.687 347 H VAL 41 H VAL 41 6.578 -4.311 5.726 348 HA VAL 41 HA VAL 41 9.279 -3.360 6.424 349 HB VAL 41 HB VAL 41 6.773 -1.724 5.954 350 1HG1 VAL 41 1HG1 VAL 41 8.501 -0.021 5.256 351 2HG1 VAL 41 2HG1 VAL 41 9.741 -1.123 5.855 352 3HG1 VAL 41 3HG1 VAL 41 8.553 -0.444 6.968 353 1HG2 VAL 41 1HG2 VAL 41 7.345 -3.317 4.064 354 2HG2 VAL 41 2HG2 VAL 41 8.890 -2.478 3.922 355 3HG2 VAL 41 3HG2 VAL 41 7.383 -1.608 3.626 356 H ASP 42 H ASP 42 9.586 -1.820 8.218 357 HA ASP 42 HA ASP 42 8.031 -2.645 10.585 358 1HB ASP 42 2HB ASP 42 9.734 -1.109 11.750 359 2HB ASP 42 1HB ASP 42 10.380 -2.556 10.973 360 H LYS 43 H LYS 43 6.855 -1.151 11.890 361 HA LYS 43 HA LYS 43 5.703 0.852 12.382 362 1HB LYS 43 2HB LYS 43 7.918 1.868 11.402 363 2HB LYS 43 1HB LYS 43 6.923 2.178 9.979 364 1HG LYS 43 2HG LYS 43 5.563 3.692 11.088 365 2HG LYS 43 1HG LYS 43 5.850 2.953 12.665 366 1HD LYS 43 2HD LYS 43 8.302 3.994 11.454 367 2HD LYS 43 1HD LYS 43 7.087 5.247 11.709 368 1HE LYS 43 2HE LYS 43 7.014 3.672 14.035 369 2HE LYS 43 1HE LYS 43 8.728 3.875 13.666 370 1HZ LYS 43 1HZ LYS 43 6.697 5.925 14.237 371 2HZ LYS 43 2HZ LYS 43 8.047 6.322 13.285 372 3HZ LYS 43 3HZ LYS 43 8.261 5.758 14.873 373 H LEU 44 H LEU 44 5.495 -0.999 9.620 374 HA LEU 44 HA LEU 44 3.197 0.548 8.526 375 1HB LEU 44 2HB LEU 44 5.031 -1.551 7.435 376 2HB LEU 44 1HB LEU 44 3.397 -1.445 6.776 377 HG LEU 44 HG LEU 44 5.312 0.896 6.988 378 1HD1 LEU 44 1HD1 LEU 44 5.049 -1.241 5.019 379 2HD1 LEU 44 2HD1 LEU 44 6.290 0.004 5.158 380 3HD1 LEU 44 3HD1 LEU 44 4.786 0.349 4.302 381 1HD2 LEU 44 1HD2 LEU 44 2.491 0.514 6.069 382 2HD2 LEU 44 2HD2 LEU 44 3.502 1.649 5.175 383 3HD2 LEU 44 3HD2 LEU 44 3.222 1.888 6.900 384 H THR 45 H THR 45 1.547 0.029 9.999 385 HA THR 45 HA THR 45 1.054 -2.815 10.633 386 HB THR 45 HB THR 45 -0.808 -1.866 12.036 387 HG1 THR 45 1HG THR 45 0.314 0.657 11.613 388 1HG2 THR 45 1HG2 THR 45 0.811 -1.901 13.593 389 2HG2 THR 45 2HG2 THR 45 1.219 -0.241 13.160 390 3HG2 THR 45 3HG2 THR 45 2.038 -1.587 12.367 391 H ARG 46 H ARG 46 -1.458 -3.358 10.562 392 HA ARG 46 HA ARG 46 -2.209 -3.283 7.761 393 1HB ARG 46 2HB ARG 46 -4.070 -4.066 10.002 394 2HB ARG 46 1HB ARG 46 -3.980 -4.719 8.366 395 1HG ARG 46 2HG ARG 46 -2.566 -6.317 9.070 396 2HG ARG 46 1HG ARG 46 -1.428 -5.081 9.609 397 1HD ARG 46 2HD ARG 46 -3.727 -6.252 11.200 398 2HD ARG 46 1HD ARG 46 -2.006 -6.456 11.519 399 HE ARG 46 HE ARG 46 -3.120 -3.703 11.581 400 1HH1 ARG 46 1HH1 ARG 46 -4.017 -5.125 14.004 401 2HH1 ARG 46 2HH1 ARG 46 -2.699 -4.893 15.103 402 1HH2 ARG 46 1HH2 ARG 46 -0.450 -3.973 12.628 403 2HH2 ARG 46 2HH2 ARG 46 -0.679 -4.241 14.324 404 H GLU 47 H GLU 47 -2.807 -1.250 10.478 405 HA GLU 47 HA GLU 47 -5.295 -0.110 9.453 406 1HB GLU 47 2HB GLU 47 -3.828 -0.012 11.886 407 2HB GLU 47 1HB GLU 47 -3.942 1.645 11.287 408 1HG GLU 47 2HG GLU 47 -6.246 1.691 11.438 409 2HG GLU 47 1HG GLU 47 -6.402 -0.047 11.177 410 H ASN 48 H ASN 48 -1.852 0.669 9.317 411 HA ASN 48 HA ASN 48 -2.237 3.292 8.139 412 1HB ASN 48 2HB ASN 48 0.080 1.449 8.588 413 2HB ASN 48 1HB ASN 48 0.265 2.755 7.415 414 1HD2 ASN 48 1HD2 ASN 48 -0.906 2.250 10.795 415 2HD2 ASN 48 2HD2 ASN 48 -0.343 3.746 11.366 416 H VAL 49 H VAL 49 -1.658 0.030 6.857 417 HA VAL 49 HA VAL 49 -1.566 1.017 4.095 418 HB VAL 49 HB VAL 49 -1.793 -1.831 5.113 419 1HG1 VAL 49 1HG1 VAL 49 -0.687 -0.798 2.492 420 2HG1 VAL 49 2HG1 VAL 49 -2.359 -1.321 2.683 421 3HG1 VAL 49 3HG1 VAL 49 -1.042 -2.470 2.925 422 1HG2 VAL 49 1HG2 VAL 49 0.789 -1.527 4.307 423 2HG2 VAL 49 2HG2 VAL 49 0.265 -1.333 5.980 424 3HG2 VAL 49 3HG2 VAL 49 0.466 0.083 4.949 425 H ALA 50 H ALA 50 -3.925 -0.228 6.336 426 HA ALA 50 HA ALA 50 -5.910 -0.974 4.377 427 1HB ALA 50 1HB ALA 50 -7.474 -0.603 6.429 428 2HB ALA 50 2HB ALA 50 -5.975 -0.362 7.326 429 3HB ALA 50 3HB ALA 50 -6.278 -1.896 6.510 430 H SER 51 H SER 51 -4.843 2.041 5.705 431 HA SER 51 HA SER 51 -7.267 3.536 5.117 432 1HB SER 51 2HB SER 51 -4.449 4.226 5.881 433 2HB SER 51 1HB SER 51 -5.483 5.488 5.217 434 HG SER 51 HG SER 51 -6.984 5.026 6.854 435 H HIS 52 H HIS 52 -4.082 3.225 3.522 436 HA HIS 52 HA HIS 52 -4.611 4.865 1.283 437 1HB HIS 52 2HB HIS 52 -2.388 3.835 1.859 438 2HB HIS 52 1HB HIS 52 -3.005 2.292 1.268 439 HD1 HIS 52 1HD HIS 52 -1.066 5.021 0.124 440 HD2 HIS 52 2HD HIS 52 -4.148 2.795 -1.583 441 HE1 HIS 52 1HE HIS 52 -0.906 5.376 -2.378 442 H LEU 53 H LEU 53 -5.670 1.614 2.033 443 HA LEU 53 HA LEU 53 -6.592 1.004 -0.658 444 1HB LEU 53 2HB LEU 53 -6.051 -0.785 0.954 445 2HB LEU 53 1HB LEU 53 -7.349 -0.229 2.010 446 HG LEU 53 HG LEU 53 -8.887 -0.548 -0.050 447 1HD1 LEU 53 1HD1 LEU 53 -6.401 -1.199 -1.206 448 2HD1 LEU 53 2HD1 LEU 53 -7.994 -1.398 -1.936 449 3HD1 LEU 53 3HD1 LEU 53 -7.260 -2.730 -1.042 450 1HD2 LEU 53 1HD2 LEU 53 -9.446 -2.669 0.736 451 2HD2 LEU 53 2HD2 LEU 53 -8.491 -2.057 2.086 452 3HD2 LEU 53 3HD2 LEU 53 -7.760 -3.157 0.917 453 H GLN 54 H GLN 54 -8.002 2.438 2.241 454 HA GLN 54 HA GLN 54 -10.737 2.363 1.375 455 1HB GLN 54 2HB GLN 54 -9.191 4.013 3.359 456 2HB GLN 54 1HB GLN 54 -10.859 4.439 2.973 457 1HG GLN 54 2HG GLN 54 -10.760 1.616 3.361 458 2HG GLN 54 1HG GLN 54 -9.919 2.370 4.716 459 1HE2 GLN 54 1HE2 GLN 54 -11.163 3.711 6.171 460 2HE2 GLN 54 2HE2 GLN 54 -12.856 3.798 6.093 461 H LYS 55 H LYS 55 -8.055 4.527 0.693 462 HA LYS 55 HA LYS 55 -9.673 6.629 -0.475 463 1HB LYS 55 2HB LYS 55 -6.742 5.960 -0.889 464 2HB LYS 55 1HB LYS 55 -7.527 7.468 -1.361 465 1HG LYS 55 2HG LYS 55 -7.598 8.255 0.780 466 2HG LYS 55 1HG LYS 55 -7.922 6.661 1.461 467 1HD LYS 55 2HD LYS 55 -5.765 6.653 2.133 468 2HD LYS 55 1HD LYS 55 -5.346 6.423 0.434 469 1HE LYS 55 2HE LYS 55 -4.190 8.364 0.678 470 2HE LYS 55 1HE LYS 55 -5.772 9.128 0.525 471 1HZ LYS 55 1HZ LYS 55 -5.732 8.474 3.120 472 2HZ LYS 55 2HZ LYS 55 -5.265 9.991 2.512 473 3HZ LYS 55 3HZ LYS 55 -4.091 8.812 2.856 474 H PHE 56 H PHE 56 -8.517 3.559 -1.576 475 HA PHE 56 HA PHE 56 -8.519 4.126 -4.405 476 1HB PHE 56 2HB PHE 56 -7.415 2.129 -3.376 477 2HB PHE 56 1HB PHE 56 -9.010 1.471 -3.017 478 HD1 PHE 56 1HD PHE 56 -9.471 -0.297 -4.471 479 HD2 PHE 56 2HD PHE 56 -7.614 3.260 -6.005 480 HE1 PHE 56 1HE PHE 56 -9.610 -1.216 -6.770 481 HE2 PHE 56 2HE PHE 56 -7.752 2.341 -8.304 482 HZ PHE 56 HZ PHE 56 -8.750 0.102 -8.687 483 H ARG 57 H ARG 57 -10.997 2.854 -2.170 484 HA ARG 57 HA ARG 57 -13.000 2.373 -4.156 485 1HB ARG 57 2HB ARG 57 -13.240 3.157 -1.232 486 2HB ARG 57 1HB ARG 57 -14.614 2.687 -2.233 487 1HG ARG 57 2HG ARG 57 -14.143 0.516 -1.895 488 2HG ARG 57 1HG ARG 57 -12.529 0.745 -2.568 489 1HD ARG 57 2HD ARG 57 -11.958 1.761 -0.236 490 2HD ARG 57 1HD ARG 57 -13.416 0.929 0.303 491 HE ARG 57 HE ARG 57 -11.009 -0.380 0.106 492 1HH1 ARG 57 1HH2 ARG 57 -11.529 -1.038 -2.712 493 2HH1 ARG 57 2HH2 ARG 57 -12.462 -2.493 -2.612 494 1HH2 ARG 57 1HH1 ARG 57 -13.281 -2.054 0.729 495 2HH2 ARG 57 2HH1 ARG 57 -13.454 -3.068 -0.664 496 H VAL 58 H VAL 58 -12.180 5.275 -2.258 497 HA VAL 58 HA VAL 58 -14.282 6.917 -3.340 498 HB VAL 58 HB VAL 58 -11.581 7.595 -2.137 499 1HG1 VAL 58 1HG1 VAL 58 -13.856 9.451 -2.905 500 2HG1 VAL 58 2HG1 VAL 58 -12.284 9.374 -3.700 501 3HG1 VAL 58 3HG1 VAL 58 -12.400 9.922 -2.028 502 1HG2 VAL 58 1HG2 VAL 58 -14.397 7.325 -1.155 503 2HG2 VAL 58 2HG2 VAL 58 -13.368 8.545 -0.405 504 3HG2 VAL 58 3HG2 VAL 58 -12.889 6.848 -0.374 505 H ALA 59 H ALA 59 -11.073 6.008 -4.401 506 HA ALA 59 HA ALA 59 -11.080 7.896 -6.644 507 1HB ALA 59 1HB ALA 59 -8.908 7.088 -7.134 508 2HB ALA 59 2HB ALA 59 -9.210 5.549 -6.327 509 3HB ALA 59 3HB ALA 59 -8.997 7.018 -5.374 510 H LEU 60 H LEU 60 -12.428 4.892 -5.958 511 HA LEU 60 HA LEU 60 -12.268 3.709 -8.606 512 1HB LEU 60 2HB LEU 60 -13.644 3.111 -6.024 513 2HB LEU 60 1HB LEU 60 -14.311 2.386 -7.484 514 HG LEU 60 HG LEU 60 -11.417 2.184 -6.605 515 1HD1 LEU 60 1HD1 LEU 60 -12.044 0.410 -5.372 516 2HD1 LEU 60 2HD1 LEU 60 -12.795 -0.325 -6.788 517 3HD1 LEU 60 3HD1 LEU 60 -13.729 0.756 -5.755 518 1HD2 LEU 60 1HD2 LEU 60 -11.813 0.228 -8.449 519 2HD2 LEU 60 2HD2 LEU 60 -11.199 1.831 -8.857 520 3HD2 LEU 60 3HD2 LEU 60 -12.911 1.462 -9.065 521 H LYS 61 H LYS 61 -13.733 6.452 -7.679 522 HA LYS 61 HA LYS 61 -15.357 7.778 -8.700 523 1HB LYS 61 2HB LYS 61 -14.750 6.790 -10.857 524 2HB LYS 61 1HB LYS 61 -15.761 5.385 -10.516 525 1HG LYS 61 2HG LYS 61 -17.731 6.552 -10.762 526 2HG LYS 61 1HG LYS 61 -17.002 8.085 -10.283 527 1HD LYS 61 2HD LYS 61 -16.296 6.689 -12.877 528 2HD LYS 61 1HD LYS 61 -17.595 7.878 -12.759 529 1HE LYS 61 2HE LYS 61 -14.974 8.654 -11.584 530 2HE LYS 61 1HE LYS 61 -15.053 8.564 -13.343 531 1HZ LYS 61 1HZ LYS 61 -15.948 10.583 -13.236 532 2HZ LYS 61 2HZ LYS 61 -16.218 10.479 -11.561 533 3HZ LYS 61 3HZ LYS 61 -17.354 9.837 -12.650 534 H LYS 62 H LYS 62 -16.051 6.825 -6.400 535 HA LYS 62 HA LYS 62 -17.766 5.868 -5.052 536 1HB LYS 62 2HB LYS 62 -18.582 8.105 -6.576 537 2HB LYS 62 1HB LYS 62 -19.934 6.973 -6.601 538 1HG LYS 62 2HG LYS 62 -19.689 6.758 -4.096 539 2HG LYS 62 1HG LYS 62 -18.519 8.077 -4.161 540 1HD LYS 62 2HD LYS 62 -20.814 8.882 -3.625 541 2HD LYS 62 1HD LYS 62 -20.201 9.564 -5.132 542 1HE LYS 62 2HE LYS 62 -21.600 8.246 -6.455 543 2HE LYS 62 1HE LYS 62 -21.788 7.016 -5.207 544 1HZ LYS 62 1HZ LYS 62 -23.203 9.534 -5.562 545 2HZ LYS 62 2HZ LYS 62 -22.837 9.097 -3.961 546 3HZ LYS 62 3HZ LYS 62 -23.756 8.055 -4.940 547 H VAL 63 H VAL 63 -17.282 3.647 -6.054 548 HA VAL 63 HA VAL 63 -19.719 2.715 -7.519 549 HB VAL 63 HB VAL 63 -16.839 1.844 -7.884 550 1HG1 VAL 63 1HG1 VAL 63 -18.348 -0.110 -7.875 551 2HG1 VAL 63 2HG1 VAL 63 -17.739 0.208 -9.500 552 3HG1 VAL 63 3HG1 VAL 63 -19.381 0.681 -9.065 553 1HG2 VAL 63 1HG2 VAL 63 -18.734 3.581 -9.322 554 2HG2 VAL 63 2HG2 VAL 63 -17.960 2.372 -10.348 555 3HG2 VAL 63 3HG2 VAL 63 -16.974 3.509 -9.426 556 H SER 64 H SER 64 -20.243 0.412 -7.083 557 HA SER 64 HA SER 64 -19.580 -0.269 -4.264 558 1HB SER 64 2HB SER 64 -21.968 -0.153 -4.841 559 2HB SER 64 1HB SER 64 -21.729 -1.345 -6.117 560 HG SER 64 HG SER 64 -22.188 -2.679 -4.542 Start of MODEL 13 1 1H THR 1 1HT THR 1 20.045 16.341 3.258 2 2H THR 1 2HT THR 1 21.365 15.813 4.190 3 3H THR 1 3HT THR 1 20.193 14.700 3.665 4 HA THR 1 HA THR 1 21.636 16.260 1.646 5 HB THR 1 HB THR 1 23.081 13.892 1.911 6 HG1 THR 1 1HG THR 1 23.768 14.135 4.149 7 1HG2 THR 1 1HG2 THR 1 23.652 16.729 2.794 8 2HG2 THR 1 2HG2 THR 1 24.081 15.976 1.258 9 3HG2 THR 1 3HG2 THR 1 24.882 15.467 2.743 10 H ALA 2 H ALA 2 20.679 12.971 2.709 11 HA ALA 2 HA ALA 2 18.749 12.584 0.663 12 1HB ALA 2 1HB ALA 2 21.418 11.310 0.000 13 2HB ALA 2 2HB ALA 2 20.802 12.760 -0.792 14 3HB ALA 2 3HB ALA 2 19.937 11.232 -0.955 15 H GLN 3 H GLN 3 17.964 10.342 0.637 16 HA GLN 3 HA GLN 3 17.493 8.283 1.660 17 1HB GLN 3 2HB GLN 3 20.218 8.485 2.956 18 2HB GLN 3 1HB GLN 3 19.304 7.026 2.570 19 1HG GLN 3 2HG GLN 3 20.435 8.980 0.546 20 2HG GLN 3 1HG GLN 3 21.107 7.394 0.925 21 1HE2 GLN 3 1HE2 GLN 3 20.109 5.545 -0.026 22 2HE2 GLN 3 2HE2 GLN 3 18.781 5.643 -1.078 23 H LYS 4 H LYS 4 16.105 10.010 2.892 24 HA LYS 4 HA LYS 4 16.513 9.487 5.781 25 1HB LYS 4 2HB LYS 4 17.289 11.913 4.729 26 2HB LYS 4 1HB LYS 4 15.630 12.242 5.228 27 1HG LYS 4 2HG LYS 4 16.458 10.895 7.405 28 2HG LYS 4 1HG LYS 4 18.007 11.560 6.887 29 1HD LYS 4 2HD LYS 4 17.301 13.771 7.152 30 2HD LYS 4 1HD LYS 4 15.594 13.346 7.013 31 1HE LYS 4 2HE LYS 4 15.761 13.685 9.305 32 2HE LYS 4 1HE LYS 4 16.089 11.956 9.208 33 1HZ LYS 4 1HZ LYS 4 18.130 14.111 9.297 34 2HZ LYS 4 2HZ LYS 4 18.458 12.449 9.175 35 3HZ LYS 4 3HZ LYS 4 17.726 13.072 10.575 36 H LYS 5 H LYS 5 14.652 8.174 5.760 37 HA LYS 5 HA LYS 5 12.109 9.606 5.102 38 1HB LYS 5 2HB LYS 5 12.341 7.886 3.469 39 2HB LYS 5 1HB LYS 5 12.890 6.719 4.671 40 1HG LYS 5 2HG LYS 5 10.766 6.069 5.023 41 2HG LYS 5 1HG LYS 5 10.338 7.709 5.508 42 1HD LYS 5 2HD LYS 5 10.408 6.684 2.656 43 2HD LYS 5 1HD LYS 5 8.952 6.956 3.613 44 1HE LYS 5 2HE LYS 5 10.560 9.325 3.732 45 2HE LYS 5 1HE LYS 5 10.385 8.854 2.041 46 1HZ LYS 5 1HZ LYS 5 8.317 9.593 3.989 47 2HZ LYS 5 2HZ LYS 5 7.917 8.515 2.739 48 3HZ LYS 5 3HZ LYS 5 8.492 10.071 2.372 49 HA PRO 6 HA PRO 6 11.664 8.575 9.489 50 1HB PRO 6 2HB PRO 6 9.970 10.683 9.996 51 2HB PRO 6 1HB PRO 6 11.735 10.829 10.014 52 1HG PRO 6 2HG PRO 6 9.795 11.777 7.957 53 2HG PRO 6 1HG PRO 6 11.405 12.401 8.352 54 1HD PRO 6 2HD PRO 6 10.766 10.745 6.147 55 2HD PRO 6 1HD PRO 6 12.400 11.103 6.745 56 H ARG 7 H ARG 7 10.260 6.829 9.651 57 HA ARG 7 HA ARG 7 8.249 5.616 9.615 58 1HB ARG 7 2HB ARG 7 7.551 8.322 10.235 59 2HB ARG 7 1HB ARG 7 6.335 7.682 9.127 60 1HG ARG 7 2HG ARG 7 5.655 7.155 11.400 61 2HG ARG 7 1HG ARG 7 6.141 5.660 10.600 62 1HD ARG 7 2HD ARG 7 7.685 5.304 12.196 63 2HD ARG 7 1HD ARG 7 8.473 6.824 11.770 64 HE ARG 7 HE ARG 7 7.034 7.941 13.446 65 1HH1 ARG 7 1HH2 ARG 7 4.930 5.764 13.578 66 2HH1 ARG 7 2HH2 ARG 7 5.294 5.023 15.101 67 1HH2 ARG 7 1HH1 ARG 7 8.446 6.449 15.340 68 2HH2 ARG 7 2HH1 ARG 7 7.284 5.413 16.099 69 H VAL 8 H VAL 8 8.890 4.742 7.529 70 HA VAL 8 HA VAL 8 8.643 5.751 4.995 71 HB VAL 8 HB VAL 8 8.158 3.057 6.169 72 1HG1 VAL 8 1HG1 VAL 8 7.819 2.302 3.669 73 2HG1 VAL 8 2HG1 VAL 8 7.159 3.926 3.475 74 3HG1 VAL 8 3HG1 VAL 8 6.428 2.808 4.625 75 1HG2 VAL 8 1HG2 VAL 8 9.893 4.127 3.926 76 2HG2 VAL 8 2HG2 VAL 8 9.940 2.476 4.545 77 3HG2 VAL 8 3HG2 VAL 8 10.414 3.821 5.583 78 H LEU 9 H LEU 9 7.033 6.589 3.751 79 HA LEU 9 HA LEU 9 4.222 6.186 4.678 80 1HB LEU 9 2HB LEU 9 5.363 8.526 4.772 81 2HB LEU 9 1HB LEU 9 5.156 8.514 3.022 82 HG LEU 9 HG LEU 9 2.734 8.123 3.306 83 1HD1 LEU 9 1HD1 LEU 9 3.603 7.559 6.018 84 2HD1 LEU 9 2HD1 LEU 9 2.060 7.193 5.246 85 3HD1 LEU 9 3HD1 LEU 9 2.314 8.763 6.008 86 1HD2 LEU 9 1HD2 LEU 9 2.555 10.369 3.327 87 2HD2 LEU 9 2HD2 LEU 9 4.180 10.487 4.000 88 3HD2 LEU 9 3HD2 LEU 9 2.787 10.376 5.076 89 H TRP 10 H TRP 10 5.986 7.163 1.709 90 HA TRP 10 HA TRP 10 5.144 4.971 0.100 91 1HB TRP 10 2HB TRP 10 3.249 7.283 0.268 92 2HB TRP 10 1HB TRP 10 3.524 6.569 -1.318 93 HD1 TRP 10 HD TRP 10 1.094 6.317 1.193 94 HE1 TRP 10 1HE TRP 10 0.060 3.964 1.392 95 HE3 TRP 10 3HE TRP 10 4.585 3.600 -1.359 96 HZ2 TRP 10 2HZ TRP 10 0.638 1.284 0.577 97 HZ3 TRP 10 3HZ TRP 10 4.318 1.152 -1.633 98 HH2 TRP 10 HH TRP 10 2.349 -0.008 -0.668 99 H THR 11 H THR 11 7.511 5.659 -0.164 100 HA THR 11 HA THR 11 7.958 8.041 -1.829 101 HB THR 11 HB THR 11 10.323 7.310 -1.821 102 HG1 THR 11 1HG THR 11 9.115 5.016 -0.803 103 1HG2 THR 11 1HG2 THR 11 9.689 8.652 0.043 104 2HG2 THR 11 2HG2 THR 11 10.604 7.303 0.714 105 3HG2 THR 11 3HG2 THR 11 8.844 7.310 0.812 106 H HIS 12 H HIS 12 9.078 7.812 -3.964 107 HA HIS 12 HA HIS 12 7.621 6.227 -5.793 108 1HB HIS 12 2HB HIS 12 9.150 8.235 -6.265 109 2HB HIS 12 1HB HIS 12 10.486 7.087 -6.223 110 HD1 HIS 12 1HD HIS 12 10.410 8.160 -8.864 111 HD2 HIS 12 2HD HIS 12 7.673 5.196 -7.816 112 HE1 HIS 12 1HE HIS 12 9.587 7.148 -11.034 113 H GLU 13 H GLU 13 10.360 5.440 -3.800 114 HA GLU 13 HA GLU 13 11.042 3.000 -5.281 115 1HB GLU 13 2HB GLU 13 12.603 4.518 -3.852 116 2HB GLU 13 1HB GLU 13 11.928 3.652 -2.477 117 1HG GLU 13 2HG GLU 13 13.792 2.342 -2.992 118 2HG GLU 13 1HG GLU 13 12.511 1.512 -3.876 119 H LEU 14 H LEU 14 9.551 3.807 -2.150 120 HA LEU 14 HA LEU 14 9.041 1.103 -1.356 121 1HB LEU 14 2HB LEU 14 7.675 3.700 -0.600 122 2HB LEU 14 1HB LEU 14 7.406 2.160 0.219 123 HG LEU 14 HG LEU 14 10.058 3.606 -0.039 124 1HD1 LEU 14 1HD1 LEU 14 9.184 2.961 2.628 125 2HD1 LEU 14 2HD1 LEU 14 7.937 3.890 1.798 126 3HD1 LEU 14 3HD1 LEU 14 9.569 4.539 1.947 127 1HD2 LEU 14 1HD2 LEU 14 10.807 1.440 0.059 128 2HD2 LEU 14 2HD2 LEU 14 9.295 0.841 0.742 129 3HD2 LEU 14 3HD2 LEU 14 10.473 1.647 1.779 130 H HIS 15 H HIS 15 7.509 3.171 -3.651 131 HA HIS 15 HA HIS 15 4.933 1.792 -3.600 132 1HB HIS 15 2HB HIS 15 5.288 4.195 -4.354 133 2HB HIS 15 1HB HIS 15 6.042 3.542 -5.809 134 HD1 HIS 15 1HD HIS 15 2.759 3.193 -3.893 135 HD2 HIS 15 2HD HIS 15 4.215 2.927 -7.789 136 HE1 HIS 15 1HE HIS 15 0.749 2.801 -5.384 137 H ASN 16 H ASN 16 8.016 1.344 -5.130 138 HA ASN 16 HA ASN 16 7.088 -0.250 -7.360 139 1HB ASN 16 2HB ASN 16 9.741 0.207 -6.021 140 2HB ASN 16 1HB ASN 16 9.570 -1.102 -7.190 141 1HD2 ASN 16 1HD2 ASN 16 11.258 0.632 -8.202 142 2HD2 ASN 16 2HD2 ASN 16 10.551 1.738 -9.277 143 H LYS 17 H LYS 17 7.827 -0.912 -3.995 144 HA LYS 17 HA LYS 17 7.896 -3.812 -4.375 145 1HB LYS 17 2HB LYS 17 7.703 -2.107 -1.869 146 2HB LYS 17 1HB LYS 17 7.914 -3.859 -1.875 147 1HG LYS 17 2HG LYS 17 10.004 -3.546 -3.226 148 2HG LYS 17 1HG LYS 17 9.818 -1.803 -3.030 149 1HD LYS 17 2HD LYS 17 11.029 -2.055 -1.132 150 2HD LYS 17 1HD LYS 17 9.556 -2.734 -0.439 151 1HE LYS 17 2HE LYS 17 10.841 -4.572 -0.062 152 2HE LYS 17 1HE LYS 17 10.569 -4.901 -1.773 153 1HZ LYS 17 1HZ LYS 17 12.593 -3.615 -2.259 154 2HZ LYS 17 2HZ LYS 17 12.905 -4.985 -1.302 155 3HZ LYS 17 3HZ LYS 17 12.871 -3.440 -0.595 156 H PHE 18 H PHE 18 5.547 -1.397 -3.256 157 HA PHE 18 HA PHE 18 3.543 -3.400 -2.586 158 1HB PHE 18 2HB PHE 18 3.497 -1.203 -1.504 159 2HB PHE 18 1HB PHE 18 3.292 -0.415 -3.067 160 HD1 PHE 18 1HD PHE 18 1.148 -0.187 -4.051 161 HD2 PHE 18 2HD PHE 18 1.707 -2.853 -0.729 162 HE1 PHE 18 1HE PHE 18 -1.306 -0.507 -3.894 163 HE2 PHE 18 2HE PHE 18 -0.749 -3.173 -0.573 164 HZ PHE 18 HZ PHE 18 -2.254 -1.999 -2.156 165 H LEU 19 H LEU 19 4.536 -1.715 -5.461 166 HA LEU 19 HA LEU 19 2.063 -2.172 -6.928 167 1HB LEU 19 2HB LEU 19 4.805 -1.174 -7.575 168 2HB LEU 19 1HB LEU 19 3.827 -1.796 -8.904 169 HG LEU 19 HG LEU 19 2.966 0.358 -6.951 170 1HD1 LEU 19 1HD1 LEU 19 3.899 0.428 -9.831 171 2HD1 LEU 19 2HD1 LEU 19 4.622 1.251 -8.450 172 3HD1 LEU 19 3HD1 LEU 19 3.050 1.767 -9.060 173 1HD2 LEU 19 1HD2 LEU 19 1.214 0.525 -8.968 174 2HD2 LEU 19 2HD2 LEU 19 0.945 -0.558 -7.601 175 3HD2 LEU 19 3HD2 LEU 19 1.600 -1.190 -9.113 176 H ALA 20 H ALA 20 5.228 -3.802 -6.720 177 HA ALA 20 HA ALA 20 4.491 -5.804 -8.693 178 1HB ALA 20 1HB ALA 20 6.818 -5.153 -7.073 179 2HB ALA 20 2HB ALA 20 6.736 -6.032 -8.599 180 3HB ALA 20 3HB ALA 20 6.509 -6.890 -7.075 181 H ALA 21 H ALA 21 4.025 -5.415 -5.264 182 HA ALA 21 HA ALA 21 3.460 -8.238 -4.780 183 1HB ALA 21 1HB ALA 21 2.262 -6.308 -2.913 184 2HB ALA 21 2HB ALA 21 3.991 -6.066 -3.153 185 3HB ALA 21 3HB ALA 21 3.389 -7.626 -2.594 186 H VAL 22 H VAL 22 1.534 -5.298 -5.342 187 HA VAL 22 HA VAL 22 -1.028 -6.579 -5.047 188 HB VAL 22 HB VAL 22 -0.364 -4.209 -6.811 189 1HG1 VAL 22 1HG1 VAL 22 -2.806 -5.525 -5.849 190 2HG1 VAL 22 2HG1 VAL 22 -2.584 -4.417 -7.202 191 3HG1 VAL 22 3HG1 VAL 22 -2.786 -3.785 -5.568 192 1HG2 VAL 22 1HG2 VAL 22 -0.117 -2.879 -4.983 193 2HG2 VAL 22 2HG2 VAL 22 0.297 -4.387 -4.167 194 3HG2 VAL 22 3HG2 VAL 22 -1.346 -3.751 -4.065 195 H ASP 23 H ASP 23 1.023 -5.852 -7.838 196 HA ASP 23 HA ASP 23 -0.691 -6.922 -9.851 197 1HB ASP 23 2HB ASP 23 1.484 -5.529 -10.074 198 2HB ASP 23 1HB ASP 23 2.315 -7.074 -9.961 199 H HIS 24 H HIS 24 1.942 -8.408 -7.981 200 HA HIS 24 HA HIS 24 1.811 -10.976 -9.220 201 1HB HIS 24 2HB HIS 24 3.636 -10.098 -7.681 202 2HB HIS 24 1HB HIS 24 2.558 -10.464 -6.334 203 HD1 HIS 24 1HD HIS 24 4.450 -12.269 -5.658 204 HD2 HIS 24 2HD HIS 24 2.351 -13.075 -9.168 205 HE1 HIS 24 1HE HIS 24 4.864 -14.709 -6.196 206 H LEU 25 H LEU 25 -0.247 -9.470 -6.837 207 HA LEU 25 HA LEU 25 -1.560 -12.104 -6.330 208 1HB LEU 25 2HB LEU 25 -2.118 -9.544 -4.837 209 2HB LEU 25 1HB LEU 25 -2.420 -11.201 -4.316 210 HG LEU 25 HG LEU 25 0.402 -10.429 -4.926 211 1HD1 LEU 25 1HD1 LEU 25 -1.090 -8.783 -3.298 212 2HD1 LEU 25 2HD1 LEU 25 0.656 -9.004 -3.177 213 3HD1 LEU 25 3HD1 LEU 25 -0.425 -9.940 -2.145 214 1HD2 LEU 25 1HD2 LEU 25 -1.035 -12.575 -3.676 215 2HD2 LEU 25 2HD2 LEU 25 0.008 -11.828 -2.466 216 3HD2 LEU 25 3HD2 LEU 25 0.701 -12.448 -3.964 217 H GLY 26 H GLY 26 -1.863 -9.407 -8.280 218 1HA GLY 26 2HA GLY 26 -3.639 -8.840 -9.730 219 2HA GLY 26 1HA GLY 26 -4.610 -10.107 -8.973 220 H VAL 27 H VAL 27 -4.089 -6.759 -9.147 221 HA VAL 27 HA VAL 27 -4.788 -5.786 -6.612 222 HB VAL 27 HB VAL 27 -4.185 -4.312 -8.495 223 1HG1 VAL 27 1HG1 VAL 27 -6.675 -4.012 -9.807 224 2HG1 VAL 27 2HG1 VAL 27 -6.350 -5.744 -9.754 225 3HG1 VAL 27 3HG1 VAL 27 -5.179 -4.649 -10.488 226 1HG2 VAL 27 1HG2 VAL 27 -6.666 -3.014 -8.172 227 2HG2 VAL 27 2HG2 VAL 27 -5.210 -2.767 -7.206 228 3HG2 VAL 27 3HG2 VAL 27 -6.424 -3.938 -6.689 229 H GLU 28 H GLU 28 -6.721 -7.561 -8.858 230 HA GLU 28 HA GLU 28 -9.320 -6.708 -8.011 231 1HB GLU 28 2HB GLU 28 -8.275 -8.600 -9.816 232 2HB GLU 28 1HB GLU 28 -9.256 -9.527 -8.680 233 1HG GLU 28 2HG GLU 28 -10.136 -7.121 -10.299 234 2HG GLU 28 1HG GLU 28 -10.696 -8.783 -10.482 235 H ARG 29 H ARG 29 -7.222 -9.361 -6.879 236 HA ARG 29 HA ARG 29 -8.996 -9.573 -4.477 237 1HB ARG 29 2HB ARG 29 -7.348 -11.651 -5.928 238 2HB ARG 29 1HB ARG 29 -7.952 -11.907 -4.291 239 1HG ARG 29 2HG ARG 29 -9.982 -12.446 -5.093 240 2HG ARG 29 1HG ARG 29 -10.088 -10.890 -5.917 241 1HD ARG 29 2HD ARG 29 -10.105 -12.187 -7.796 242 2HD ARG 29 1HD ARG 29 -8.358 -12.186 -7.561 243 HE ARG 29 HE ARG 29 -8.741 -14.366 -6.268 244 1HH1 ARG 29 1HH2 ARG 29 -9.016 -14.601 -9.296 245 2HH1 ARG 29 2HH2 ARG 29 -10.471 -15.531 -9.428 246 1HH2 ARG 29 1HH1 ARG 29 -11.450 -14.958 -6.152 247 2HH2 ARG 29 2HH1 ARG 29 -11.848 -15.733 -7.649 248 H ALA 30 H ALA 30 -6.355 -8.010 -5.240 249 HA ALA 30 HA ALA 30 -4.484 -9.043 -3.229 250 1HB ALA 30 1HB ALA 30 -2.972 -7.806 -4.354 251 2HB ALA 30 2HB ALA 30 -3.932 -6.341 -4.152 252 3HB ALA 30 3HB ALA 30 -4.253 -7.426 -5.504 253 H VAL 31 H VAL 31 -4.755 -8.595 -1.102 254 HA VAL 31 HA VAL 31 -6.251 -6.120 -0.360 255 HB VAL 31 HB VAL 31 -6.254 -7.350 1.945 256 1HG1 VAL 31 1HG1 VAL 31 -8.011 -9.043 0.582 257 2HG1 VAL 31 2HG1 VAL 31 -7.903 -7.613 -0.444 258 3HG1 VAL 31 3HG1 VAL 31 -8.397 -7.454 1.242 259 1HG2 VAL 31 1HG2 VAL 31 -6.090 -9.845 0.316 260 2HG2 VAL 31 2HG2 VAL 31 -5.670 -9.580 2.009 261 3HG2 VAL 31 3HG2 VAL 31 -4.567 -9.060 0.735 262 HA PRO 32 HA PRO 32 -2.607 -4.400 1.375 263 1HB PRO 32 2HB PRO 32 -3.689 -2.968 3.462 264 2HB PRO 32 1HB PRO 32 -3.820 -2.476 1.764 265 1HG PRO 32 2HG PRO 32 -5.898 -3.678 3.537 266 2HG PRO 32 1HG PRO 32 -6.099 -2.613 2.136 267 1HD PRO 32 2HD PRO 32 -6.492 -5.410 2.144 268 2HD PRO 32 1HD PRO 32 -6.327 -4.388 0.700 269 H LYS 33 H LYS 33 -4.752 -6.244 3.449 270 HA LYS 33 HA LYS 33 -3.008 -6.384 5.736 271 1HB LYS 33 2HB LYS 33 -5.300 -6.925 6.085 272 2HB LYS 33 1HB LYS 33 -5.315 -8.063 4.742 273 1HG LYS 33 2HG LYS 33 -3.338 -8.634 6.876 274 2HG LYS 33 1HG LYS 33 -5.032 -8.835 7.326 275 1HD LYS 33 2HD LYS 33 -4.892 -9.983 4.797 276 2HD LYS 33 1HD LYS 33 -3.380 -10.477 5.560 277 1HE LYS 33 2HE LYS 33 -5.086 -12.129 6.079 278 2HE LYS 33 1HE LYS 33 -4.693 -11.241 7.551 279 1HZ LYS 33 1HZ LYS 33 -6.971 -11.186 7.563 280 2HZ LYS 33 2HZ LYS 33 -7.101 -11.085 5.871 281 3HZ LYS 33 3HZ LYS 33 -6.627 -9.724 6.772 282 H LYS 34 H LYS 34 -3.644 -8.669 3.053 283 HA LYS 34 HA LYS 34 -1.547 -10.483 3.870 284 1HB LYS 34 2HB LYS 34 -3.031 -10.114 1.252 285 2HB LYS 34 1HB LYS 34 -1.836 -11.385 1.511 286 1HG LYS 34 2HG LYS 34 -3.168 -12.175 3.474 287 2HG LYS 34 1HG LYS 34 -4.399 -10.976 3.077 288 1HD LYS 34 2HD LYS 34 -4.439 -12.037 0.735 289 2HD LYS 34 1HD LYS 34 -3.541 -13.374 1.453 290 1HE LYS 34 2HE LYS 34 -6.260 -12.358 2.328 291 2HE LYS 34 1HE LYS 34 -5.923 -13.888 1.519 292 1HZ LYS 34 1HZ LYS 34 -6.164 -14.143 3.924 293 2HZ LYS 34 2HZ LYS 34 -4.855 -13.088 4.171 294 3HZ LYS 34 3HZ LYS 34 -4.613 -14.582 3.400 295 H ILE 35 H ILE 35 -1.731 -7.824 1.499 296 HA ILE 35 HA ILE 35 0.936 -8.216 0.505 297 HB ILE 35 HB ILE 35 -0.900 -5.817 0.555 298 1HG1 ILE 35 2HG1 ILE 35 -0.157 -8.003 -1.344 299 2HG1 ILE 35 1HG1 ILE 35 -1.726 -7.258 -1.061 300 1HG2 ILE 35 1HG2 ILE 35 1.868 -6.078 -0.671 301 2HG2 ILE 35 2HG2 ILE 35 1.406 -4.986 0.634 302 3HG2 ILE 35 3HG2 ILE 35 0.752 -4.749 -0.987 303 1HD1 ILE 35 1HD1 ILE 35 0.428 -6.478 -2.937 304 2HD1 ILE 35 2HD1 ILE 35 -0.354 -5.143 -2.092 305 3HD1 ILE 35 3HD1 ILE 35 -1.315 -6.252 -3.070 306 H LEU 36 H LEU 36 -0.367 -6.770 3.391 307 HA LEU 36 HA LEU 36 1.738 -5.044 4.136 308 1HB LEU 36 2HB LEU 36 -0.235 -5.179 5.532 309 2HB LEU 36 1HB LEU 36 0.035 -6.897 5.833 310 HG LEU 36 HG LEU 36 2.259 -6.250 6.875 311 1HD1 LEU 36 1HD1 LEU 36 1.561 -3.605 7.640 312 2HD1 LEU 36 2HD1 LEU 36 1.408 -3.689 5.885 313 3HD1 LEU 36 3HD1 LEU 36 2.935 -4.115 6.658 314 1HD2 LEU 36 1HD2 LEU 36 -0.221 -6.468 7.975 315 2HD2 LEU 36 2HD2 LEU 36 0.205 -4.831 8.475 316 3HD2 LEU 36 3HD2 LEU 36 1.239 -6.187 8.921 317 H ASP 37 H ASP 37 1.455 -8.571 4.329 318 HA ASP 37 HA ASP 37 4.024 -8.928 5.649 319 1HB ASP 37 2HB ASP 37 2.316 -10.842 4.022 320 2HB ASP 37 1HB ASP 37 3.752 -11.313 4.931 321 H LEU 38 H LEU 38 2.861 -8.796 2.323 322 HA LEU 38 HA LEU 38 5.178 -9.708 0.972 323 1HB LEU 38 2HB LEU 38 2.922 -7.848 0.289 324 2HB LEU 38 1HB LEU 38 4.302 -7.956 -0.806 325 HG LEU 38 HG LEU 38 3.127 -10.512 0.185 326 1HD1 LEU 38 1HD1 LEU 38 1.697 -10.126 -2.102 327 2HD1 LEU 38 2HD1 LEU 38 1.690 -8.492 -1.436 328 3HD1 LEU 38 3HD1 LEU 38 1.053 -9.836 -0.488 329 1HD2 LEU 38 1HD2 LEU 38 3.547 -10.736 -2.492 330 2HD2 LEU 38 2HD2 LEU 38 4.806 -11.017 -1.290 331 3HD2 LEU 38 3HD2 LEU 38 4.694 -9.456 -2.102 332 H MET 39 H MET 39 4.426 -6.584 2.437 333 HA MET 39 HA MET 39 6.664 -5.184 1.252 334 1HB MET 39 2HB MET 39 4.746 -4.657 3.492 335 2HB MET 39 1HB MET 39 6.220 -3.693 3.403 336 1HG MET 39 2HG MET 39 4.397 -4.073 1.021 337 2HG MET 39 1HG MET 39 4.186 -2.750 2.169 338 1HE MET 39 1HE MET 39 4.236 -1.291 0.221 339 2HE MET 39 2HE MET 39 5.707 -0.418 -0.202 340 3HE MET 39 3HE MET 39 5.142 -0.421 1.466 341 H ASN 40 H ASN 40 6.154 -6.822 4.376 342 HA ASN 40 HA ASN 40 7.713 -7.514 5.990 343 1HB ASN 40 2HB ASN 40 8.492 -8.705 3.812 344 2HB ASN 40 1HB ASN 40 9.780 -7.500 3.795 345 1HD2 ASN 40 1HD2 ASN 40 11.528 -8.901 4.390 346 2HD2 ASN 40 2HD2 ASN 40 11.603 -9.692 5.890 347 H VAL 41 H VAL 41 7.421 -4.611 5.295 348 HA VAL 41 HA VAL 41 10.148 -3.590 5.892 349 HB VAL 41 HB VAL 41 7.585 -2.083 5.284 350 1HG1 VAL 41 1HG1 VAL 41 8.734 -0.262 5.936 351 2HG1 VAL 41 2HG1 VAL 41 9.937 -0.602 4.692 352 3HG1 VAL 41 3HG1 VAL 41 10.138 -1.260 6.315 353 1HG2 VAL 41 1HG2 VAL 41 9.913 -2.229 3.412 354 2HG2 VAL 41 2HG2 VAL 41 8.198 -2.039 3.051 355 3HG2 VAL 41 3HG2 VAL 41 8.835 -3.622 3.497 356 H ASP 42 H ASP 42 10.551 -2.358 7.795 357 HA ASP 42 HA ASP 42 8.801 -3.053 10.052 358 1HB ASP 42 2HB ASP 42 10.551 -1.985 11.426 359 2HB ASP 42 1HB ASP 42 11.260 -3.149 10.305 360 H LYS 43 H LYS 43 7.707 -1.506 11.354 361 HA LYS 43 HA LYS 43 6.716 0.570 11.877 362 1HB LYS 43 2HB LYS 43 9.092 1.369 10.902 363 2HB LYS 43 1HB LYS 43 8.048 1.989 9.621 364 1HG LYS 43 2HG LYS 43 7.925 3.784 11.055 365 2HG LYS 43 1HG LYS 43 6.619 2.814 11.736 366 1HD LYS 43 2HD LYS 43 9.422 2.367 12.709 367 2HD LYS 43 1HD LYS 43 8.518 3.759 13.309 368 1HE LYS 43 2HE LYS 43 6.608 1.986 13.693 369 2HE LYS 43 1HE LYS 43 7.943 0.834 13.665 370 1HZ LYS 43 1HZ LYS 43 7.545 1.573 15.904 371 2HZ LYS 43 2HZ LYS 43 7.698 3.200 15.441 372 3HZ LYS 43 3HZ LYS 43 9.045 2.167 15.380 373 H LEU 44 H LEU 44 6.444 -1.180 9.081 374 HA LEU 44 HA LEU 44 4.401 0.622 7.880 375 1HB LEU 44 2HB LEU 44 6.018 -1.695 6.896 376 2HB LEU 44 1HB LEU 44 4.436 -1.424 6.166 377 HG LEU 44 HG LEU 44 6.716 0.569 6.331 378 1HD1 LEU 44 1HD1 LEU 44 7.291 -0.364 4.361 379 2HD1 LEU 44 2HD1 LEU 44 5.770 0.239 3.702 380 3HD1 LEU 44 3HD1 LEU 44 5.856 -1.390 4.372 381 1HD2 LEU 44 1HD2 LEU 44 5.064 2.120 6.298 382 2HD2 LEU 44 2HD2 LEU 44 3.824 0.906 5.979 383 3HD2 LEU 44 3HD2 LEU 44 4.758 1.586 4.646 384 H THR 45 H THR 45 2.419 0.341 8.813 385 HA THR 45 HA THR 45 1.645 -2.366 9.755 386 HB THR 45 HB THR 45 -0.229 -1.223 10.854 387 HG1 THR 45 1HG THR 45 0.130 1.247 10.630 388 1HG2 THR 45 1HG2 THR 45 1.541 0.717 11.837 389 2HG2 THR 45 2HG2 THR 45 2.572 -0.607 11.294 390 3HG2 THR 45 3HG2 THR 45 1.298 -0.908 12.478 391 H ARG 46 H ARG 46 -0.782 -2.893 9.299 392 HA ARG 46 HA ARG 46 -1.121 -2.905 6.405 393 1HB ARG 46 2HB ARG 46 -3.142 -4.221 6.868 394 2HB ARG 46 1HB ARG 46 -1.789 -4.835 7.818 395 1HG ARG 46 2HG ARG 46 -2.600 -3.881 9.816 396 2HG ARG 46 1HG ARG 46 -3.663 -2.765 8.956 397 1HD ARG 46 2HD ARG 46 -5.236 -4.426 8.473 398 2HD ARG 46 1HD ARG 46 -4.063 -5.729 8.661 399 HE ARG 46 HE ARG 46 -4.859 -4.161 11.062 400 1HH1 ARG 46 1HH1 ARG 46 -6.187 -6.654 9.345 401 2HH1 ARG 46 2HH1 ARG 46 -6.056 -7.849 10.591 402 1HH2 ARG 46 1HH2 ARG 46 -4.065 -5.884 12.638 403 2HH2 ARG 46 2HH2 ARG 46 -4.855 -7.414 12.455 404 H GLU 47 H GLU 47 -2.117 -0.853 8.979 405 HA GLU 47 HA GLU 47 -4.520 0.171 7.694 406 1HB GLU 47 2HB GLU 47 -2.790 1.220 9.950 407 2HB GLU 47 1HB GLU 47 -4.264 2.020 9.405 408 1HG GLU 47 2HG GLU 47 -5.124 -0.567 9.698 409 2HG GLU 47 1HG GLU 47 -3.942 -0.438 11.000 410 H ASN 48 H ASN 48 -1.100 1.058 7.758 411 HA ASN 48 HA ASN 48 -1.387 3.620 6.498 412 1HB ASN 48 2HB ASN 48 0.863 1.660 6.838 413 2HB ASN 48 1HB ASN 48 1.066 3.024 5.738 414 1HD2 ASN 48 1HD2 ASN 48 2.451 2.625 8.342 415 2HD2 ASN 48 2HD2 ASN 48 2.030 3.957 9.306 416 H VAL 49 H VAL 49 -0.986 0.335 5.208 417 HA VAL 49 HA VAL 49 -0.932 1.317 2.442 418 HB VAL 49 HB VAL 49 -1.102 -1.478 3.612 419 1HG1 VAL 49 1HG1 VAL 49 -0.572 -0.705 0.733 420 2HG1 VAL 49 2HG1 VAL 49 -2.169 -1.168 1.319 421 3HG1 VAL 49 3HG1 VAL 49 -0.838 -2.323 1.383 422 1HG2 VAL 49 1HG2 VAL 49 1.146 -1.361 3.721 423 2HG2 VAL 49 2HG2 VAL 49 1.044 0.345 3.283 424 3HG2 VAL 49 3HG2 VAL 49 1.232 -0.878 2.026 425 H ALA 50 H ALA 50 -3.267 0.175 4.759 426 HA ALA 50 HA ALA 50 -5.347 -0.480 2.859 427 1HB ALA 50 1HB ALA 50 -6.776 -0.684 4.747 428 2HB ALA 50 2HB ALA 50 -5.803 0.434 5.702 429 3HB ALA 50 3HB ALA 50 -5.188 -1.177 5.336 430 H SER 51 H SER 51 -4.231 2.468 4.376 431 HA SER 51 HA SER 51 -6.591 4.044 3.822 432 1HB SER 51 2HB SER 51 -3.715 4.909 4.243 433 2HB SER 51 1HB SER 51 -5.111 5.982 4.251 434 HG SER 51 HG SER 51 -4.330 5.136 6.348 435 H HIS 52 H HIS 52 -3.423 3.768 2.168 436 HA HIS 52 HA HIS 52 -4.038 5.501 0.003 437 1HB HIS 52 2HB HIS 52 -1.768 4.516 0.554 438 2HB HIS 52 1HB HIS 52 -2.326 3.007 -0.169 439 HD1 HIS 52 1HD HIS 52 -2.725 2.980 -2.741 440 HD2 HIS 52 2HD HIS 52 -1.251 6.605 -1.305 441 HE1 HIS 52 1HE HIS 52 -1.993 4.309 -4.769 442 H LEU 53 H LEU 53 -4.853 2.134 0.600 443 HA LEU 53 HA LEU 53 -5.872 1.671 -2.097 444 1HB LEU 53 2HB LEU 53 -5.021 -0.179 -0.682 445 2HB LEU 53 1HB LEU 53 -6.326 0.112 0.468 446 HG LEU 53 HG LEU 53 -7.814 -0.125 -1.740 447 1HD1 LEU 53 1HD1 LEU 53 -6.908 -1.437 -3.426 448 2HD1 LEU 53 2HD1 LEU 53 -5.715 -2.172 -2.354 449 3HD1 LEU 53 3HD1 LEU 53 -5.479 -0.525 -2.939 450 1HD2 LEU 53 1HD2 LEU 53 -8.467 -2.149 -0.856 451 2HD2 LEU 53 2HD2 LEU 53 -7.466 -1.595 0.487 452 3HD2 LEU 53 3HD2 LEU 53 -6.809 -2.730 -0.691 453 H GLN 54 H GLN 54 -7.112 2.949 0.895 454 HA GLN 54 HA GLN 54 -9.915 2.531 0.320 455 1HB GLN 54 2HB GLN 54 -8.339 4.188 2.252 456 2HB GLN 54 1HB GLN 54 -10.030 4.610 1.983 457 1HG GLN 54 2HG GLN 54 -9.770 1.748 2.258 458 2HG GLN 54 1HG GLN 54 -9.028 2.554 3.641 459 1HE2 GLN 54 1HE2 GLN 54 -11.923 3.374 1.640 460 2HE2 GLN 54 2HE2 GLN 54 -12.980 3.494 2.963 461 H LYS 55 H LYS 55 -7.635 5.194 -0.276 462 HA LYS 55 HA LYS 55 -9.479 7.113 -1.241 463 1HB LYS 55 2HB LYS 55 -6.576 6.563 -1.691 464 2HB LYS 55 1HB LYS 55 -7.384 7.685 -2.788 465 1HG LYS 55 2HG LYS 55 -7.334 7.882 0.238 466 2HG LYS 55 1HG LYS 55 -6.443 8.908 -0.883 467 1HD LYS 55 2HD LYS 55 -8.787 9.402 -1.919 468 2HD LYS 55 1HD LYS 55 -9.406 8.803 -0.380 469 1HE LYS 55 2HE LYS 55 -8.063 10.455 0.834 470 2HE LYS 55 1HE LYS 55 -7.372 11.032 -0.683 471 1HZ LYS 55 1HZ LYS 55 -10.195 11.204 0.202 472 2HZ LYS 55 2HZ LYS 55 -9.705 11.511 -1.397 473 3HZ LYS 55 3HZ LYS 55 -9.131 12.484 -0.128 474 H PHE 56 H PHE 56 -8.052 4.290 -2.802 475 HA PHE 56 HA PHE 56 -8.978 4.929 -5.464 476 1HB PHE 56 2HB PHE 56 -7.180 3.217 -4.813 477 2HB PHE 56 1HB PHE 56 -8.510 2.142 -4.377 478 HD1 PHE 56 1HD PHE 56 -8.615 0.493 -6.047 479 HD2 PHE 56 2HD PHE 56 -8.194 4.619 -7.165 480 HE1 PHE 56 1HE PHE 56 -8.893 -0.125 -8.433 481 HE2 PHE 56 2HE PHE 56 -8.473 4.001 -9.551 482 HZ PHE 56 HZ PHE 56 -8.823 1.629 -10.185 483 H ARG 57 H ARG 57 -10.286 2.895 -2.833 484 HA ARG 57 HA ARG 57 -12.598 1.945 -4.153 485 1HB ARG 57 2HB ARG 57 -11.624 1.843 -1.560 486 2HB ARG 57 1HB ARG 57 -13.082 2.820 -1.382 487 1HG ARG 57 2HG ARG 57 -14.382 1.000 -1.606 488 2HG ARG 57 1HG ARG 57 -13.614 0.601 -3.144 489 1HD ARG 57 2HD ARG 57 -13.069 -1.268 -1.854 490 2HD ARG 57 1HD ARG 57 -11.647 -0.250 -1.621 491 HE ARG 57 HE ARG 57 -12.213 -0.310 0.656 492 1HH1 ARG 57 1HH1 ARG 57 -14.988 -0.982 -1.227 493 2HH1 ARG 57 2HH1 ARG 57 -16.111 -0.670 0.054 494 1HH2 ARG 57 1HH2 ARG 57 -13.678 0.379 2.290 495 2HH2 ARG 57 2HH2 ARG 57 -15.369 0.100 2.045 496 H VAL 58 H VAL 58 -11.926 5.053 -2.604 497 HA VAL 58 HA VAL 58 -14.579 6.133 -2.880 498 HB VAL 58 HB VAL 58 -11.835 7.362 -2.556 499 1HG1 VAL 58 1HG1 VAL 58 -13.265 8.853 -3.979 500 2HG1 VAL 58 2HG1 VAL 58 -12.872 9.559 -2.412 501 3HG1 VAL 58 3HG1 VAL 58 -14.468 8.863 -2.690 502 1HG2 VAL 58 1HG2 VAL 58 -12.372 7.414 -0.348 503 2HG2 VAL 58 2HG2 VAL 58 -13.613 6.237 -0.776 504 3HG2 VAL 58 3HG2 VAL 58 -14.021 7.950 -0.672 505 H ALA 59 H ALA 59 -11.729 6.028 -4.959 506 HA ALA 59 HA ALA 59 -12.912 7.678 -7.046 507 1HB ALA 59 1HB ALA 59 -10.450 5.972 -6.800 508 2HB ALA 59 2HB ALA 59 -10.576 7.695 -7.154 509 3HB ALA 59 3HB ALA 59 -10.978 6.509 -8.396 510 H LEU 60 H LEU 60 -13.319 4.487 -5.986 511 HA LEU 60 HA LEU 60 -14.227 3.540 -8.652 512 1HB LEU 60 2HB LEU 60 -13.310 2.234 -6.132 513 2HB LEU 60 1HB LEU 60 -14.489 1.364 -7.110 514 HG LEU 60 HG LEU 60 -12.032 2.573 -8.370 515 1HD1 LEU 60 1HD1 LEU 60 -11.148 1.165 -6.615 516 2HD1 LEU 60 2HD1 LEU 60 -11.004 0.281 -8.134 517 3HD1 LEU 60 3HD1 LEU 60 -12.295 -0.118 -7.001 518 1HD2 LEU 60 1HD2 LEU 60 -13.070 1.731 -10.189 519 2HD2 LEU 60 2HD2 LEU 60 -14.293 0.944 -9.189 520 3HD2 LEU 60 3HD2 LEU 60 -12.771 0.121 -9.534 521 H LYS 61 H LYS 61 -15.475 5.048 -5.945 522 HA LYS 61 HA LYS 61 -17.825 3.732 -5.250 523 1HB LYS 61 2HB LYS 61 -17.102 5.936 -4.324 524 2HB LYS 61 1HB LYS 61 -17.606 6.700 -5.832 525 1HG LYS 61 2HG LYS 61 -19.778 5.088 -4.996 526 2HG LYS 61 1HG LYS 61 -19.222 5.955 -3.564 527 1HD LYS 61 2HD LYS 61 -19.278 7.666 -5.931 528 2HD LYS 61 1HD LYS 61 -20.865 6.991 -5.559 529 1HE LYS 61 2HE LYS 61 -20.047 7.687 -3.065 530 2HE LYS 61 1HE LYS 61 -19.222 8.921 -4.019 531 1HZ LYS 61 1HZ LYS 61 -21.963 8.436 -4.788 532 2HZ LYS 61 2HZ LYS 61 -21.140 9.905 -4.559 533 3HZ LYS 61 3HZ LYS 61 -21.782 9.069 -3.225 534 H LYS 62 H LYS 62 -17.537 6.074 -7.928 535 HA LYS 62 HA LYS 62 -20.116 5.560 -9.030 536 1HB LYS 62 2HB LYS 62 -17.677 6.360 -10.632 537 2HB LYS 62 1HB LYS 62 -19.363 6.758 -10.959 538 1HG LYS 62 2HG LYS 62 -19.187 8.615 -9.702 539 2HG LYS 62 1HG LYS 62 -18.721 7.639 -8.308 540 1HD LYS 62 2HD LYS 62 -16.369 7.604 -9.217 541 2HD LYS 62 1HD LYS 62 -16.888 8.762 -10.443 542 1HE LYS 62 2HE LYS 62 -17.233 9.239 -7.474 543 2HE LYS 62 1HE LYS 62 -15.825 9.792 -8.381 544 1HZ LYS 62 1HZ LYS 62 -17.246 11.073 -9.808 545 2HZ LYS 62 2HZ LYS 62 -17.569 11.490 -8.193 546 3HZ LYS 62 3HZ LYS 62 -18.637 10.477 -9.043 547 H VAL 63 H VAL 63 -20.374 3.251 -9.050 548 HA VAL 63 HA VAL 63 -19.144 1.981 -11.427 549 HB VAL 63 HB VAL 63 -17.641 1.347 -9.598 550 1HG1 VAL 63 1HG1 VAL 63 -19.559 -0.259 -8.099 551 2HG1 VAL 63 2HG1 VAL 63 -19.967 1.455 -8.053 552 3HG1 VAL 63 3HG1 VAL 63 -18.381 0.912 -7.508 553 1HG2 VAL 63 1HG2 VAL 63 -19.173 -1.163 -9.783 554 2HG2 VAL 63 2HG2 VAL 63 -17.530 -0.807 -10.316 555 3HG2 VAL 63 3HG2 VAL 63 -18.901 -0.376 -11.339 556 H SER 64 H SER 64 -20.914 1.314 -12.541 557 HA SER 64 HA SER 64 -23.100 0.535 -12.952 558 1HB SER 64 2HB SER 64 -23.525 -1.626 -12.038 559 2HB SER 64 1HB SER 64 -21.771 -1.515 -12.170 560 HG SER 64 HG SER 64 -22.565 -2.287 -10.110 Start of MODEL 14 1 1H THR 1 1HT THR 1 20.777 13.065 -2.259 2 2H THR 1 2HT THR 1 20.918 14.752 -2.111 3 3H THR 1 3HT THR 1 22.195 13.844 -2.769 4 HA THR 1 HA THR 1 21.073 14.914 -4.561 5 HB THR 1 HB THR 1 20.439 11.964 -4.278 6 HG1 THR 1 1HG THR 1 22.475 13.483 -5.523 7 1HG2 THR 1 1HG2 THR 1 18.933 13.096 -5.924 8 2HG2 THR 1 2HG2 THR 1 20.030 11.937 -6.676 9 3HG2 THR 1 3HG2 THR 1 20.364 13.665 -6.785 10 H ALA 2 H ALA 2 18.684 12.557 -3.311 11 HA ALA 2 HA ALA 2 16.615 14.694 -3.638 12 1HB ALA 2 1HB ALA 2 16.157 13.122 -5.354 13 2HB ALA 2 2HB ALA 2 15.048 12.684 -4.054 14 3HB ALA 2 3HB ALA 2 16.523 11.750 -4.308 15 H GLN 3 H GLN 3 17.519 14.862 -1.243 16 HA GLN 3 HA GLN 3 16.990 14.650 1.033 17 1HB GLN 3 2HB GLN 3 14.610 14.673 -0.220 18 2HB GLN 3 1HB GLN 3 14.552 13.041 0.447 19 1HG GLN 3 2HG GLN 3 15.274 14.126 2.675 20 2HG GLN 3 1HG GLN 3 14.822 15.657 1.927 21 1HE2 GLN 3 1HE2 GLN 3 13.309 12.376 1.825 22 2HE2 GLN 3 2HE2 GLN 3 11.775 12.913 2.316 23 H LYS 4 H LYS 4 18.367 13.253 2.036 24 HA LYS 4 HA LYS 4 19.030 10.649 1.377 25 1HB LYS 4 2HB LYS 4 20.071 11.988 3.222 26 2HB LYS 4 1HB LYS 4 18.658 11.640 4.219 27 1HG LYS 4 2HG LYS 4 19.665 9.727 4.850 28 2HG LYS 4 1HG LYS 4 19.473 9.151 3.194 29 1HD LYS 4 2HD LYS 4 21.641 9.768 2.584 30 2HD LYS 4 1HD LYS 4 21.771 10.961 3.877 31 1HE LYS 4 2HE LYS 4 21.440 8.748 5.375 32 2HE LYS 4 1HE LYS 4 22.206 8.017 3.964 33 1HZ LYS 4 1HZ LYS 4 23.370 10.480 5.022 34 2HZ LYS 4 2HZ LYS 4 24.130 9.143 4.302 35 3HZ LYS 4 3HZ LYS 4 23.606 9.059 5.917 36 H LYS 5 H LYS 5 17.758 8.900 1.063 37 HA LYS 5 HA LYS 5 15.076 8.557 1.493 38 1HB LYS 5 2HB LYS 5 16.317 6.839 0.369 39 2HB LYS 5 1HB LYS 5 17.295 6.523 1.801 40 1HG LYS 5 2HG LYS 5 15.082 5.910 2.970 41 2HG LYS 5 1HG LYS 5 14.380 5.870 1.352 42 1HD LYS 5 2HD LYS 5 15.062 3.675 1.485 43 2HD LYS 5 1HD LYS 5 16.560 4.380 0.880 44 1HE LYS 5 2HE LYS 5 16.066 4.275 3.841 45 2HE LYS 5 1HE LYS 5 16.631 2.831 3.000 46 1HZ LYS 5 1HZ LYS 5 18.038 5.263 3.618 47 2HZ LYS 5 2HZ LYS 5 18.228 4.765 2.006 48 3HZ LYS 5 3HZ LYS 5 18.645 3.717 3.276 49 HA PRO 6 HA PRO 6 15.178 8.860 6.015 50 1HB PRO 6 2HB PRO 6 12.705 10.038 6.189 51 2HB PRO 6 1HB PRO 6 14.195 10.943 5.873 52 1HG PRO 6 2HG PRO 6 11.990 10.258 3.998 53 2HG PRO 6 1HG PRO 6 13.166 11.579 3.910 54 1HD PRO 6 2HD PRO 6 13.246 9.132 2.446 55 2HD PRO 6 1HD PRO 6 14.523 10.365 2.525 56 H ARG 7 H ARG 7 14.772 6.862 6.898 57 HA ARG 7 HA ARG 7 13.710 4.733 7.138 58 1HB ARG 7 2HB ARG 7 11.199 5.808 8.018 59 2HB ARG 7 1HB ARG 7 12.518 5.162 8.991 60 1HG ARG 7 2HG ARG 7 12.588 7.975 7.891 61 2HG ARG 7 1HG ARG 7 11.829 7.602 9.438 62 1HD ARG 7 2HD ARG 7 13.871 6.843 10.382 63 2HD ARG 7 1HD ARG 7 14.650 6.727 8.803 64 HE ARG 7 HE ARG 7 14.379 9.310 8.779 65 1HH1 ARG 7 1HH1 ARG 7 16.384 7.722 10.709 66 2HH1 ARG 7 2HH1 ARG 7 16.356 8.814 12.054 67 1HH2 ARG 7 1HH2 ARG 7 13.606 10.584 10.901 68 2HH2 ARG 7 2HH2 ARG 7 14.783 10.433 12.163 69 H VAL 8 H VAL 8 13.259 3.731 5.171 70 HA VAL 8 HA VAL 8 11.427 4.526 3.204 71 HB VAL 8 HB VAL 8 12.476 1.854 4.092 72 1HG1 VAL 8 1HG1 VAL 8 10.016 2.317 2.540 73 2HG1 VAL 8 2HG1 VAL 8 10.586 0.845 3.326 74 3HG1 VAL 8 3HG1 VAL 8 11.188 1.282 1.726 75 1HG2 VAL 8 1HG2 VAL 8 13.817 2.057 2.244 76 2HG2 VAL 8 2HG2 VAL 8 13.469 3.772 2.468 77 3HG2 VAL 8 3HG2 VAL 8 12.555 2.833 1.287 78 H LEU 9 H LEU 9 9.549 5.413 4.229 79 HA LEU 9 HA LEU 9 7.758 3.396 5.516 80 1HB LEU 9 2HB LEU 9 8.582 5.479 6.818 81 2HB LEU 9 1HB LEU 9 7.486 6.385 5.777 82 HG LEU 9 HG LEU 9 5.701 4.643 6.478 83 1HD1 LEU 9 1HD1 LEU 9 6.380 3.989 8.985 84 2HD1 LEU 9 2HD1 LEU 9 7.997 4.018 8.281 85 3HD1 LEU 9 3HD1 LEU 9 6.767 2.944 7.617 86 1HD2 LEU 9 1HD2 LEU 9 6.555 7.105 7.578 87 2HD2 LEU 9 2HD2 LEU 9 6.201 6.058 8.952 88 3HD2 LEU 9 3HD2 LEU 9 4.962 6.364 7.735 89 H TRP 10 H TRP 10 8.123 5.813 3.019 90 HA TRP 10 HA TRP 10 5.918 4.771 1.488 91 1HB TRP 10 2HB TRP 10 5.451 7.153 3.237 92 2HB TRP 10 1HB TRP 10 4.751 7.170 1.619 93 HD1 TRP 10 HD TRP 10 3.901 6.170 4.977 94 HE1 TRP 10 1HE TRP 10 2.027 4.400 5.007 95 HE3 TRP 10 3HE TRP 10 3.971 4.729 0.078 96 HZ2 TRP 10 2HZ TRP 10 0.728 2.611 3.191 97 HZ3 TRP 10 3HZ TRP 10 2.406 2.993 -0.745 98 HH2 TRP 10 HH TRP 10 0.786 1.932 0.804 99 H THR 11 H THR 11 8.204 4.932 0.391 100 HA THR 11 HA THR 11 8.456 7.614 -0.912 101 HB THR 11 HB THR 11 10.811 6.739 -1.477 102 HG1 THR 11 1HG THR 11 9.960 4.553 -0.659 103 1HG2 THR 11 1HG2 THR 11 11.525 7.111 1.010 104 2HG2 THR 11 2HG2 THR 11 9.813 7.450 1.268 105 3HG2 THR 11 3HG2 THR 11 10.746 8.431 0.138 106 H HIS 12 H HIS 12 9.478 7.354 -3.207 107 HA HIS 12 HA HIS 12 7.669 6.083 -4.925 108 1HB HIS 12 2HB HIS 12 9.437 6.268 -6.663 109 2HB HIS 12 1HB HIS 12 9.292 7.748 -5.715 110 HD1 HIS 12 1HD HIS 12 11.549 4.793 -6.271 111 HD2 HIS 12 2HD HIS 12 11.516 8.312 -4.036 112 HE1 HIS 12 1HE HIS 12 13.886 5.068 -5.335 113 H GLU 13 H GLU 13 10.396 4.733 -3.205 114 HA GLU 13 HA GLU 13 10.584 2.297 -4.760 115 1HB GLU 13 2HB GLU 13 12.331 3.299 -3.148 116 2HB GLU 13 1HB GLU 13 11.365 2.585 -1.857 117 1HG GLU 13 2HG GLU 13 12.081 0.490 -2.329 118 2HG GLU 13 1HG GLU 13 11.880 0.726 -4.066 119 H LEU 14 H LEU 14 9.207 2.990 -1.533 120 HA LEU 14 HA LEU 14 8.045 0.464 -1.068 121 1HB LEU 14 2HB LEU 14 7.471 3.248 -0.148 122 2HB LEU 14 1HB LEU 14 6.247 2.016 0.161 123 HG LEU 14 HG LEU 14 9.166 1.854 0.963 124 1HD1 LEU 14 1HD1 LEU 14 8.339 3.211 2.615 125 2HD1 LEU 14 2HD1 LEU 14 7.735 1.682 3.256 126 3HD1 LEU 14 3HD1 LEU 14 6.669 2.728 2.317 127 1HD2 LEU 14 1HD2 LEU 14 8.528 -0.375 0.604 128 2HD2 LEU 14 2HD2 LEU 14 6.857 -0.074 1.081 129 3HD2 LEU 14 3HD2 LEU 14 8.124 -0.144 2.305 130 H HIS 15 H HIS 15 7.081 3.011 -3.229 131 HA HIS 15 HA HIS 15 4.334 2.155 -3.567 132 1HB HIS 15 2HB HIS 15 5.230 4.440 -4.152 133 2HB HIS 15 1HB HIS 15 6.047 3.701 -5.529 134 HD1 HIS 15 1HD HIS 15 2.918 1.992 -4.940 135 HD2 HIS 15 2HD HIS 15 4.044 5.470 -6.942 136 HE1 HIS 15 1HE HIS 15 1.008 2.570 -6.500 137 H ASN 16 H ASN 16 7.387 1.406 -5.210 138 HA ASN 16 HA ASN 16 6.146 -0.099 -7.347 139 1HB ASN 16 2HB ASN 16 8.973 -0.226 -6.252 140 2HB ASN 16 1HB ASN 16 8.436 -0.936 -7.774 141 1HD2 ASN 16 1HD2 ASN 16 7.804 0.559 -9.523 142 2HD2 ASN 16 2HD2 ASN 16 8.301 2.182 -9.494 143 H LYS 17 H LYS 17 7.055 -0.839 -4.060 144 HA LYS 17 HA LYS 17 7.002 -3.736 -4.457 145 1HB LYS 17 2HB LYS 17 6.908 -2.072 -1.921 146 2HB LYS 17 1HB LYS 17 7.119 -3.823 -1.979 147 1HG LYS 17 2HG LYS 17 9.160 -3.448 -3.414 148 2HG LYS 17 1HG LYS 17 8.992 -1.721 -3.097 149 1HD LYS 17 2HD LYS 17 9.416 -1.981 -0.788 150 2HD LYS 17 1HD LYS 17 9.094 -3.715 -0.837 151 1HE LYS 17 2HE LYS 17 11.174 -4.219 -1.683 152 2HE LYS 17 1HE LYS 17 11.305 -2.692 -2.555 153 1HZ LYS 17 1HZ LYS 17 12.020 -3.328 0.185 154 2HZ LYS 17 2HZ LYS 17 11.274 -1.820 -0.048 155 3HZ LYS 17 3HZ LYS 17 12.703 -2.201 -0.882 156 H PHE 18 H PHE 18 4.787 -1.277 -3.146 157 HA PHE 18 HA PHE 18 2.739 -3.175 -2.412 158 1HB PHE 18 2HB PHE 18 2.796 -0.932 -1.424 159 2HB PHE 18 1HB PHE 18 2.556 -0.206 -3.014 160 HD1 PHE 18 1HD PHE 18 0.399 -0.347 -4.159 161 HD2 PHE 18 2HD PHE 18 0.978 -2.102 -0.282 162 HE1 PHE 18 1HE PHE 18 -2.056 -0.585 -3.900 163 HE2 PHE 18 2HE PHE 18 -1.476 -2.339 -0.023 164 HZ PHE 18 HZ PHE 18 -2.994 -1.580 -1.831 165 H LEU 19 H LEU 19 3.667 -1.659 -5.402 166 HA LEU 19 HA LEU 19 1.100 -2.146 -6.716 167 1HB LEU 19 2HB LEU 19 3.833 -1.343 -7.748 168 2HB LEU 19 1HB LEU 19 2.433 -1.564 -8.799 169 HG LEU 19 HG LEU 19 2.229 0.218 -6.385 170 1HD1 LEU 19 1HD1 LEU 19 2.699 1.839 -8.646 171 2HD1 LEU 19 2HD1 LEU 19 3.976 0.622 -8.656 172 3HD1 LEU 19 3HD1 LEU 19 3.746 1.648 -7.240 173 1HD2 LEU 19 1HD2 LEU 19 0.978 0.720 -9.055 174 2HD2 LEU 19 2HD2 LEU 19 0.333 1.022 -7.442 175 3HD2 LEU 19 3HD2 LEU 19 0.351 -0.618 -8.091 176 H ALA 20 H ALA 20 4.330 -3.663 -6.738 177 HA ALA 20 HA ALA 20 3.542 -5.733 -8.607 178 1HB ALA 20 1HB ALA 20 5.728 -6.406 -6.758 179 2HB ALA 20 2HB ALA 20 5.949 -4.856 -7.569 180 3HB ALA 20 3HB ALA 20 5.734 -6.326 -8.520 181 H ALA 21 H ALA 21 3.198 -5.272 -5.186 182 HA ALA 21 HA ALA 21 2.802 -8.093 -4.564 183 1HB ALA 21 1HB ALA 21 2.929 -5.596 -3.112 184 2HB ALA 21 2HB ALA 21 3.093 -7.239 -2.496 185 3HB ALA 21 3HB ALA 21 1.497 -6.501 -2.623 186 H VAL 22 H VAL 22 0.694 -5.282 -5.143 187 HA VAL 22 HA VAL 22 -1.790 -6.669 -4.760 188 HB VAL 22 HB VAL 22 -1.295 -4.371 -6.669 189 1HG1 VAL 22 1HG1 VAL 22 -3.693 -4.383 -4.999 190 2HG1 VAL 22 2HG1 VAL 22 -3.584 -5.806 -6.035 191 3HG1 VAL 22 3HG1 VAL 22 -3.543 -4.193 -6.746 192 1HG2 VAL 22 1HG2 VAL 22 -2.184 -3.724 -3.948 193 2HG2 VAL 22 2HG2 VAL 22 -0.947 -2.951 -4.940 194 3HG2 VAL 22 3HG2 VAL 22 -0.555 -4.396 -4.009 195 H ASP 23 H ASP 23 0.115 -5.939 -7.667 196 HA ASP 23 HA ASP 23 -1.574 -7.223 -9.560 197 1HB ASP 23 2HB ASP 23 0.520 -5.734 -9.915 198 2HB ASP 23 1HB ASP 23 1.434 -7.226 -9.744 199 H HIS 24 H HIS 24 1.149 -8.448 -7.653 200 HA HIS 24 HA HIS 24 1.245 -11.075 -8.716 201 1HB HIS 24 2HB HIS 24 2.998 -10.270 -7.243 202 2HB HIS 24 1HB HIS 24 1.849 -10.074 -5.919 203 HD1 HIS 24 1HD HIS 24 1.862 -13.078 -8.200 204 HD2 HIS 24 2HD HIS 24 2.931 -12.111 -4.290 205 HE1 HIS 24 1HE HIS 24 2.359 -15.269 -7.031 206 H LEU 25 H LEU 25 -1.067 -9.593 -6.570 207 HA LEU 25 HA LEU 25 -2.262 -12.284 -6.041 208 1HB LEU 25 2HB LEU 25 -2.980 -9.712 -4.631 209 2HB LEU 25 1HB LEU 25 -3.286 -11.365 -4.100 210 HG LEU 25 HG LEU 25 -0.447 -10.560 -4.571 211 1HD1 LEU 25 1HD1 LEU 25 -2.198 -9.104 -2.837 212 2HD1 LEU 25 2HD1 LEU 25 -0.456 -8.921 -3.031 213 3HD1 LEU 25 3HD1 LEU 25 -1.096 -10.053 -1.840 214 1HD2 LEU 25 1HD2 LEU 25 -0.020 -12.206 -2.916 215 2HD2 LEU 25 2HD2 LEU 25 -1.358 -12.874 -3.853 216 3HD2 LEU 25 3HD2 LEU 25 -1.666 -12.120 -2.289 217 H GLY 26 H GLY 26 -2.605 -9.611 -8.035 218 1HA GLY 26 2HA GLY 26 -4.333 -9.297 -9.648 219 2HA GLY 26 1HA GLY 26 -5.334 -10.448 -8.759 220 H VAL 27 H VAL 27 -4.799 -7.165 -9.356 221 HA VAL 27 HA VAL 27 -5.489 -5.872 -6.962 222 HB VAL 27 HB VAL 27 -4.854 -4.780 -9.158 223 1HG1 VAL 27 1HG1 VAL 27 -6.663 -4.302 -10.740 224 2HG1 VAL 27 2HG1 VAL 27 -7.805 -5.191 -9.732 225 3HG1 VAL 27 3HG1 VAL 27 -6.493 -6.045 -10.541 226 1HG2 VAL 27 1HG2 VAL 27 -6.392 -2.816 -8.785 227 2HG2 VAL 27 2HG2 VAL 27 -5.622 -3.407 -7.312 228 3HG2 VAL 27 3HG2 VAL 27 -7.304 -3.815 -7.652 229 H GLU 28 H GLU 28 -7.430 -7.911 -8.954 230 HA GLU 28 HA GLU 28 -10.019 -6.885 -8.231 231 1HB GLU 28 2HB GLU 28 -9.141 -9.654 -9.095 232 2HB GLU 28 1HB GLU 28 -10.826 -9.158 -8.926 233 1HG GLU 28 2HG GLU 28 -10.795 -8.081 -10.907 234 2HG GLU 28 1HG GLU 28 -9.301 -7.236 -10.494 235 H ARG 29 H ARG 29 -8.015 -9.498 -6.844 236 HA ARG 29 HA ARG 29 -9.819 -9.435 -4.456 237 1HB ARG 29 2HB ARG 29 -8.038 -11.720 -5.347 238 2HB ARG 29 1HB ARG 29 -9.250 -11.754 -4.064 239 1HG ARG 29 2HG ARG 29 -10.537 -12.639 -5.748 240 2HG ARG 29 1HG ARG 29 -10.814 -10.930 -6.090 241 1HD ARG 29 2HD ARG 29 -9.892 -11.202 -8.123 242 2HD ARG 29 1HD ARG 29 -8.372 -11.663 -7.358 243 HE ARG 29 HE ARG 29 -10.431 -13.530 -8.377 244 1HH1 ARG 29 1HH2 ARG 29 -7.422 -13.456 -9.011 245 2HH1 ARG 29 2HH2 ARG 29 -6.876 -14.846 -8.135 246 1HH2 ARG 29 1HH1 ARG 29 -9.764 -15.109 -6.233 247 2HH2 ARG 29 2HH1 ARG 29 -8.202 -15.783 -6.562 248 H ALA 30 H ALA 30 -7.127 -8.029 -5.313 249 HA ALA 30 HA ALA 30 -5.198 -8.955 -3.364 250 1HB ALA 30 1HB ALA 30 -4.465 -6.366 -3.886 251 2HB ALA 30 2HB ALA 30 -5.405 -6.762 -5.324 252 3HB ALA 30 3HB ALA 30 -4.012 -7.749 -4.882 253 H VAL 31 H VAL 31 -5.811 -8.870 -1.237 254 HA VAL 31 HA VAL 31 -7.272 -6.489 -0.245 255 HB VAL 31 HB VAL 31 -7.239 -7.836 1.937 256 1HG1 VAL 31 1HG1 VAL 31 -8.756 -8.192 -0.499 257 2HG1 VAL 31 2HG1 VAL 31 -9.310 -8.283 1.173 258 3HG1 VAL 31 3HG1 VAL 31 -8.657 -9.717 0.381 259 1HG2 VAL 31 1HG2 VAL 31 -6.120 -9.798 2.032 260 2HG2 VAL 31 2HG2 VAL 31 -5.368 -9.341 0.503 261 3HG2 VAL 31 3HG2 VAL 31 -6.820 -10.342 0.507 262 HA PRO 32 HA PRO 32 -3.698 -4.679 1.532 263 1HB PRO 32 2HB PRO 32 -4.797 -3.503 3.764 264 2HB PRO 32 1HB PRO 32 -5.025 -2.884 2.119 265 1HG PRO 32 2HG PRO 32 -6.948 -4.374 3.849 266 2HG PRO 32 1HG PRO 32 -7.274 -3.212 2.552 267 1HD PRO 32 2HD PRO 32 -7.472 -6.022 2.334 268 2HD PRO 32 1HD PRO 32 -7.435 -4.875 0.978 269 H LYS 33 H LYS 33 -5.666 -6.767 3.582 270 HA LYS 33 HA LYS 33 -3.817 -6.989 5.764 271 1HB LYS 33 2HB LYS 33 -6.054 -7.732 6.138 272 2HB LYS 33 1HB LYS 33 -6.022 -8.777 4.719 273 1HG LYS 33 2HG LYS 33 -3.958 -9.286 6.806 274 2HG LYS 33 1HG LYS 33 -5.619 -9.730 7.200 275 1HD LYS 33 2HD LYS 33 -5.689 -10.917 4.933 276 2HD LYS 33 1HD LYS 33 -3.939 -10.706 4.881 277 1HE LYS 33 2HE LYS 33 -3.583 -12.111 6.720 278 2HE LYS 33 1HE LYS 33 -5.233 -11.916 7.311 279 1HZ LYS 33 1HZ LYS 33 -5.415 -12.981 4.759 280 2HZ LYS 33 2HZ LYS 33 -5.754 -13.759 6.232 281 3HZ LYS 33 3HZ LYS 33 -4.202 -13.865 5.549 282 H LYS 34 H LYS 34 -4.374 -9.059 2.901 283 HA LYS 34 HA LYS 34 -2.189 -10.834 3.508 284 1HB LYS 34 2HB LYS 34 -3.896 -10.296 1.106 285 2HB LYS 34 1HB LYS 34 -2.403 -11.208 0.884 286 1HG LYS 34 2HG LYS 34 -3.354 -12.481 3.057 287 2HG LYS 34 1HG LYS 34 -4.883 -11.961 2.348 288 1HD LYS 34 2HD LYS 34 -4.735 -13.721 0.949 289 2HD LYS 34 1HD LYS 34 -3.370 -12.907 0.182 290 1HE LYS 34 2HE LYS 34 -1.786 -14.062 1.521 291 2HE LYS 34 1HE LYS 34 -3.018 -14.585 2.668 292 1HZ LYS 34 1HZ LYS 34 -3.493 -16.348 1.428 293 2HZ LYS 34 2HZ LYS 34 -2.092 -16.009 0.531 294 3HZ LYS 34 3HZ LYS 34 -3.600 -15.431 0.006 295 H ILE 35 H ILE 35 -2.450 -7.980 1.356 296 HA ILE 35 HA ILE 35 0.253 -8.145 0.437 297 HB ILE 35 HB ILE 35 -1.614 -5.783 0.721 298 1HG1 ILE 35 2HG1 ILE 35 -0.949 -7.814 -1.373 299 2HG1 ILE 35 1HG1 ILE 35 -2.501 -7.076 -0.989 300 1HG2 ILE 35 1HG2 ILE 35 1.067 -5.940 -0.703 301 2HG2 ILE 35 2HG2 ILE 35 0.779 -5.083 0.812 302 3HG2 ILE 35 3HG2 ILE 35 -0.012 -4.544 -0.669 303 1HD1 ILE 35 1HD1 ILE 35 -2.072 -5.999 -2.981 304 2HD1 ILE 35 2HD1 ILE 35 -0.323 -6.098 -2.779 305 3HD1 ILE 35 3HD1 ILE 35 -1.246 -4.888 -1.887 306 H LEU 36 H LEU 36 -1.152 -7.107 3.427 307 HA LEU 36 HA LEU 36 0.855 -5.379 4.411 308 1HB LEU 36 2HB LEU 36 -1.222 -5.858 5.661 309 2HB LEU 36 1HB LEU 36 -0.683 -7.516 5.928 310 HG LEU 36 HG LEU 36 1.261 -6.708 7.185 311 1HD1 LEU 36 1HD1 LEU 36 1.575 -4.592 5.949 312 2HD1 LEU 36 2HD1 LEU 36 1.493 -4.305 7.687 313 3HD1 LEU 36 3HD1 LEU 36 0.096 -3.955 6.669 314 1HD2 LEU 36 1HD2 LEU 36 -1.523 -6.151 7.931 315 2HD2 LEU 36 2HD2 LEU 36 -0.359 -5.179 8.833 316 3HD2 LEU 36 3HD2 LEU 36 -0.250 -6.939 8.862 317 H ASP 37 H ASP 37 0.761 -8.910 4.145 318 HA ASP 37 HA ASP 37 3.312 -9.254 5.516 319 1HB ASP 37 2HB ASP 37 2.987 -11.522 5.222 320 2HB ASP 37 1HB ASP 37 1.323 -10.983 5.023 321 H LEU 38 H LEU 38 2.224 -8.742 2.222 322 HA LEU 38 HA LEU 38 4.599 -9.448 0.827 323 1HB LEU 38 2HB LEU 38 2.327 -7.549 0.299 324 2HB LEU 38 1HB LEU 38 3.735 -7.531 -0.764 325 HG LEU 38 HG LEU 38 2.525 -10.180 -0.096 326 1HD1 LEU 38 1HD1 LEU 38 1.119 -7.986 -1.451 327 2HD1 LEU 38 2HD1 LEU 38 0.486 -9.512 -0.834 328 3HD1 LEU 38 3HD1 LEU 38 1.233 -9.448 -2.430 329 1HD2 LEU 38 1HD2 LEU 38 3.404 -10.779 -2.215 330 2HD2 LEU 38 2HD2 LEU 38 4.615 -9.690 -1.539 331 3HD2 LEU 38 3HD2 LEU 38 3.478 -9.100 -2.751 332 H MET 39 H MET 39 3.701 -6.567 2.652 333 HA MET 39 HA MET 39 6.102 -5.110 1.783 334 1HB MET 39 2HB MET 39 4.201 -4.408 4.036 335 2HB MET 39 1HB MET 39 5.302 -3.322 3.186 336 1HG MET 39 2HG MET 39 3.046 -4.816 1.823 337 2HG MET 39 1HG MET 39 2.900 -3.164 2.424 338 1HE MET 39 1HE MET 39 4.621 -0.942 0.086 339 2HE MET 39 2HE MET 39 4.711 -1.290 1.811 340 3HE MET 39 3HE MET 39 3.145 -1.272 1.005 341 H ASN 40 H ASN 40 4.901 -6.506 4.853 342 HA ASN 40 HA ASN 40 6.085 -7.110 6.791 343 1HB ASN 40 2HB ASN 40 6.977 -8.751 5.078 344 2HB ASN 40 1HB ASN 40 8.337 -7.654 4.837 345 1HD2 ASN 40 1HD2 ASN 40 6.671 -8.484 7.914 346 2HD2 ASN 40 2HD2 ASN 40 8.054 -9.118 8.668 347 H VAL 41 H VAL 41 6.346 -4.333 5.620 348 HA VAL 41 HA VAL 41 9.052 -3.484 6.360 349 HB VAL 41 HB VAL 41 6.650 -1.713 5.877 350 1HG1 VAL 41 1HG1 VAL 41 9.532 -1.199 5.161 351 2HG1 VAL 41 2HG1 VAL 41 8.933 -0.877 6.788 352 3HG1 VAL 41 3HG1 VAL 41 8.232 -0.032 5.407 353 1HG2 VAL 41 1HG2 VAL 41 7.145 -1.763 3.520 354 2HG2 VAL 41 2HG2 VAL 41 6.994 -3.439 4.049 355 3HG2 VAL 41 3HG2 VAL 41 8.592 -2.736 3.787 356 H ASP 42 H ASP 42 9.528 -2.107 8.170 357 HA ASP 42 HA ASP 42 7.799 -2.630 10.494 358 1HB ASP 42 2HB ASP 42 10.578 -2.144 10.065 359 2HB ASP 42 1HB ASP 42 9.950 -0.981 11.227 360 H LYS 43 H LYS 43 6.893 -0.945 11.789 361 HA LYS 43 HA LYS 43 6.091 1.226 12.251 362 1HB LYS 43 2HB LYS 43 8.441 1.867 11.290 363 2HB LYS 43 1HB LYS 43 7.536 2.289 9.836 364 1HG LYS 43 2HG LYS 43 6.397 4.020 10.880 365 2HG LYS 43 1HG LYS 43 6.551 3.295 12.480 366 1HD LYS 43 2HD LYS 43 8.906 4.388 10.920 367 2HD LYS 43 1HD LYS 43 8.004 5.336 12.103 368 1HE LYS 43 2HE LYS 43 9.459 4.483 13.619 369 2HE LYS 43 1HE LYS 43 8.503 3.007 13.488 370 1HZ LYS 43 1HZ LYS 43 10.438 3.301 11.388 371 2HZ LYS 43 2HZ LYS 43 10.127 1.972 12.399 372 3HZ LYS 43 3HZ LYS 43 11.144 3.225 12.928 373 H LEU 44 H LEU 44 5.582 -0.618 9.534 374 HA LEU 44 HA LEU 44 3.605 1.263 8.351 375 1HB LEU 44 2HB LEU 44 4.970 -1.238 7.414 376 2HB LEU 44 1HB LEU 44 3.409 -0.811 6.713 377 HG LEU 44 HG LEU 44 5.876 0.953 6.788 378 1HD1 LEU 44 1HD1 LEU 44 6.386 -0.119 4.872 379 2HD1 LEU 44 2HD1 LEU 44 4.929 0.580 4.167 380 3HD1 LEU 44 3HD1 LEU 44 4.869 -1.017 4.912 381 1HD2 LEU 44 1HD2 LEU 44 3.033 1.528 6.422 382 2HD2 LEU 44 2HD2 LEU 44 3.996 2.026 5.032 383 3HD2 LEU 44 3HD2 LEU 44 4.382 2.645 6.638 384 H THR 45 H THR 45 1.746 1.181 9.574 385 HA THR 45 HA THR 45 0.817 -1.351 10.730 386 HB THR 45 HB THR 45 -1.129 0.056 11.485 387 HG1 THR 45 1HG THR 45 -0.393 2.428 11.133 388 1HG2 THR 45 1HG2 THR 45 1.215 1.689 12.240 389 2HG2 THR 45 2HG2 THR 45 1.416 -0.048 12.460 390 3HG2 THR 45 3HG2 THR 45 0.089 0.793 13.260 391 H ARG 46 H ARG 46 -1.425 -2.140 10.254 392 HA ARG 46 HA ARG 46 -1.807 -2.449 7.409 393 1HB ARG 46 2HB ARG 46 -3.987 -3.551 8.151 394 2HB ARG 46 1HB ARG 46 -2.511 -4.259 8.808 395 1HG ARG 46 2HG ARG 46 -2.823 -3.219 10.922 396 2HG ARG 46 1HG ARG 46 -4.043 -2.114 10.284 397 1HD ARG 46 2HD ARG 46 -5.607 -3.941 9.956 398 2HD ARG 46 1HD ARG 46 -4.380 -5.125 10.406 399 HE ARG 46 HE ARG 46 -4.655 -3.313 12.573 400 1HH1 ARG 46 1HH2 ARG 46 -7.543 -3.707 11.605 401 2HH1 ARG 46 2HH2 ARG 46 -8.042 -5.027 12.609 402 1HH2 ARG 46 1HH1 ARG 46 -4.816 -5.881 13.547 403 2HH2 ARG 46 2HH1 ARG 46 -6.498 -6.257 13.708 404 H GLU 47 H GLU 47 -2.873 -0.112 9.709 405 HA GLU 47 HA GLU 47 -5.225 0.726 8.183 406 1HB GLU 47 2HB GLU 47 -4.416 1.091 10.784 407 2HB GLU 47 1HB GLU 47 -4.043 2.661 10.068 408 1HG GLU 47 2HG GLU 47 -6.528 2.081 9.001 409 2HG GLU 47 1HG GLU 47 -6.652 1.449 10.643 410 H ASN 48 H ASN 48 -1.821 1.500 8.282 411 HA ASN 48 HA ASN 48 -2.016 4.047 6.929 412 1HB ASN 48 2HB ASN 48 0.167 2.112 7.581 413 2HB ASN 48 1HB ASN 48 0.474 3.300 6.312 414 1HD2 ASN 48 1HD2 ASN 48 -1.765 4.168 8.865 415 2HD2 ASN 48 2HD2 ASN 48 -0.731 5.244 9.672 416 H VAL 49 H VAL 49 -1.489 0.700 5.828 417 HA VAL 49 HA VAL 49 -1.352 1.553 3.022 418 HB VAL 49 HB VAL 49 -1.573 -1.232 4.208 419 1HG1 VAL 49 1HG1 VAL 49 -0.464 -1.767 1.940 420 2HG1 VAL 49 2HG1 VAL 49 -0.990 -0.157 1.447 421 3HG1 VAL 49 3HG1 VAL 49 -2.182 -1.367 1.920 422 1HG2 VAL 49 1HG2 VAL 49 0.597 -1.028 4.776 423 2HG2 VAL 49 2HG2 VAL 49 0.569 0.656 4.255 424 3HG2 VAL 49 3HG2 VAL 49 1.001 -0.615 3.110 425 H ALA 50 H ALA 50 -3.716 0.255 5.269 426 HA ALA 50 HA ALA 50 -5.681 -0.433 3.265 427 1HB ALA 50 1HB ALA 50 -7.251 -0.537 5.173 428 2HB ALA 50 2HB ALA 50 -6.037 0.217 6.207 429 3HB ALA 50 3HB ALA 50 -5.750 -1.389 5.538 430 H SER 51 H SER 51 -4.645 2.523 4.711 431 HA SER 51 HA SER 51 -7.112 3.997 4.255 432 1HB SER 51 2HB SER 51 -4.297 4.709 5.009 433 2HB SER 51 1HB SER 51 -5.375 5.980 4.440 434 HG SER 51 HG SER 51 -5.888 5.935 6.512 435 H HIS 52 H HIS 52 -3.945 3.869 2.591 436 HA HIS 52 HA HIS 52 -4.603 5.614 0.458 437 1HB HIS 52 2HB HIS 52 -2.312 4.872 0.792 438 2HB HIS 52 1HB HIS 52 -2.773 3.194 0.501 439 HD1 HIS 52 1HD HIS 52 -1.308 2.943 -1.614 440 HD2 HIS 52 2HD HIS 52 -4.092 6.033 -1.885 441 HE1 HIS 52 1HE HIS 52 -1.339 3.670 -4.040 442 H LEU 53 H LEU 53 -5.391 2.233 1.001 443 HA LEU 53 HA LEU 53 -6.398 1.815 -1.712 444 1HB LEU 53 2HB LEU 53 -5.528 -0.072 -0.385 445 2HB LEU 53 1HB LEU 53 -6.785 0.192 0.824 446 HG LEU 53 HG LEU 53 -8.388 -0.012 -1.279 447 1HD1 LEU 53 1HD1 LEU 53 -6.908 -0.261 -3.074 448 2HD1 LEU 53 2HD1 LEU 53 -7.303 -1.939 -2.696 449 3HD1 LEU 53 3HD1 LEU 53 -5.781 -1.243 -2.136 450 1HD2 LEU 53 1HD2 LEU 53 -7.193 -2.610 -0.387 451 2HD2 LEU 53 2HD2 LEU 53 -8.889 -2.147 -0.519 452 3HD2 LEU 53 3HD2 LEU 53 -7.917 -1.562 0.830 453 H GLN 54 H GLN 54 -7.674 2.901 1.359 454 HA GLN 54 HA GLN 54 -10.463 2.495 0.755 455 1HB GLN 54 2HB GLN 54 -8.907 4.108 2.741 456 2HB GLN 54 1HB GLN 54 -10.611 4.496 2.499 457 1HG GLN 54 2HG GLN 54 -10.669 1.750 2.646 458 2HG GLN 54 1HG GLN 54 -9.392 2.153 3.793 459 1HE2 GLN 54 1HE2 GLN 54 -9.974 3.419 5.691 460 2HE2 GLN 54 2HE2 GLN 54 -11.594 3.668 6.131 461 H LYS 55 H LYS 55 -8.128 4.934 -0.121 462 HA LYS 55 HA LYS 55 -10.036 6.978 -0.861 463 1HB LYS 55 2HB LYS 55 -7.133 6.471 -1.509 464 2HB LYS 55 1HB LYS 55 -8.020 7.788 -2.276 465 1HG LYS 55 2HG LYS 55 -8.731 8.374 0.183 466 2HG LYS 55 1HG LYS 55 -7.313 7.421 0.621 467 1HD LYS 55 2HD LYS 55 -6.096 9.289 0.258 468 2HD LYS 55 1HD LYS 55 -6.413 9.044 -1.460 469 1HE LYS 55 2HE LYS 55 -8.715 10.247 -0.807 470 2HE LYS 55 1HE LYS 55 -7.695 10.941 0.454 471 1HZ LYS 55 1HZ LYS 55 -6.266 11.008 -1.941 472 2HZ LYS 55 2HZ LYS 55 -6.865 12.320 -1.042 473 3HZ LYS 55 3HZ LYS 55 -7.815 11.621 -2.266 474 H PHE 56 H PHE 56 -8.706 4.154 -2.458 475 HA PHE 56 HA PHE 56 -9.680 4.968 -5.102 476 1HB PHE 56 2HB PHE 56 -7.660 3.462 -4.678 477 2HB PHE 56 1HB PHE 56 -8.809 2.195 -4.243 478 HD1 PHE 56 1HD PHE 56 -8.706 0.648 -6.020 479 HD2 PHE 56 2HD PHE 56 -9.079 4.843 -6.870 480 HE1 PHE 56 1HE PHE 56 -9.042 0.132 -8.422 481 HE2 PHE 56 2HE PHE 56 -9.417 4.326 -9.272 482 HZ PHE 56 HZ PHE 56 -9.398 1.970 -10.048 483 H ARG 57 H ARG 57 -10.581 2.414 -2.736 484 HA ARG 57 HA ARG 57 -12.868 1.475 -4.121 485 1HB ARG 57 2HB ARG 57 -12.620 1.780 -1.108 486 2HB ARG 57 1HB ARG 57 -13.642 0.634 -1.978 487 1HG ARG 57 2HG ARG 57 -11.210 0.052 -3.058 488 2HG ARG 57 1HG ARG 57 -10.737 0.525 -1.425 489 1HD ARG 57 2HD ARG 57 -11.181 -1.849 -1.395 490 2HD ARG 57 1HD ARG 57 -12.502 -1.048 -0.545 491 HE ARG 57 HE ARG 57 -13.962 -1.748 -2.268 492 1HH1 ARG 57 1HH2 ARG 57 -11.477 -3.722 -2.604 493 2HH1 ARG 57 2HH2 ARG 57 -11.446 -3.807 -4.334 494 1HH2 ARG 57 1HH1 ARG 57 -13.579 -1.108 -4.769 495 2HH2 ARG 57 2HH1 ARG 57 -12.635 -2.326 -5.559 496 H VAL 58 H VAL 58 -12.442 4.226 -1.928 497 HA VAL 58 HA VAL 58 -15.205 5.024 -1.872 498 HB VAL 58 HB VAL 58 -12.616 6.546 -1.471 499 1HG1 VAL 58 1HG1 VAL 58 -13.880 8.383 -1.958 500 2HG1 VAL 58 2HG1 VAL 58 -14.532 8.118 -0.340 501 3HG1 VAL 58 3HG1 VAL 58 -15.400 7.512 -1.751 502 1HG2 VAL 58 1HG2 VAL 58 -13.285 6.490 0.878 503 2HG2 VAL 58 2HG2 VAL 58 -13.297 4.849 0.234 504 3HG2 VAL 58 3HG2 VAL 58 -14.814 5.721 0.452 505 H ALA 59 H ALA 59 -12.451 5.863 -3.951 506 HA ALA 59 HA ALA 59 -13.928 7.702 -5.615 507 1HB ALA 59 1HB ALA 59 -12.018 7.619 -7.089 508 2HB ALA 59 2HB ALA 59 -11.475 6.097 -6.380 509 3HB ALA 59 3HB ALA 59 -11.407 7.585 -5.435 510 H LEU 60 H LEU 60 -13.963 4.331 -5.273 511 HA LEU 60 HA LEU 60 -14.960 3.901 -8.044 512 1HB LEU 60 2HB LEU 60 -13.738 2.170 -5.938 513 2HB LEU 60 1HB LEU 60 -14.897 1.420 -7.034 514 HG LEU 60 HG LEU 60 -12.733 3.159 -8.172 515 1HD1 LEU 60 1HD1 LEU 60 -11.146 1.825 -7.262 516 2HD1 LEU 60 2HD1 LEU 60 -11.739 0.578 -8.358 517 3HD1 LEU 60 3HD1 LEU 60 -12.339 0.654 -6.701 518 1HD2 LEU 60 1HD2 LEU 60 -14.090 2.459 -9.898 519 2HD2 LEU 60 2HD2 LEU 60 -14.588 0.995 -9.050 520 3HD2 LEU 60 3HD2 LEU 60 -13.011 1.066 -9.835 521 H LYS 61 H LYS 61 -16.036 4.370 -4.850 522 HA LYS 61 HA LYS 61 -18.453 2.748 -5.031 523 1HB LYS 61 2HB LYS 61 -17.077 4.068 -2.981 524 2HB LYS 61 1HB LYS 61 -18.596 4.951 -3.135 525 1HG LYS 61 2HG LYS 61 -19.156 3.228 -1.642 526 2HG LYS 61 1HG LYS 61 -19.687 2.581 -3.194 527 1HD LYS 61 2HD LYS 61 -17.849 1.127 -3.363 528 2HD LYS 61 1HD LYS 61 -16.898 2.047 -2.196 529 1HE LYS 61 2HE LYS 61 -17.953 -0.185 -1.403 530 2HE LYS 61 1HE LYS 61 -18.131 1.226 -0.362 531 1HZ LYS 61 1HZ LYS 61 -20.174 0.766 -2.402 532 2HZ LYS 61 2HZ LYS 61 -20.325 1.432 -0.846 533 3HZ LYS 61 3HZ LYS 61 -20.180 -0.250 -1.043 534 H LYS 62 H LYS 62 -18.310 6.250 -4.448 535 HA LYS 62 HA LYS 62 -20.781 6.609 -5.988 536 1HB LYS 62 2HB LYS 62 -19.427 8.014 -3.916 537 2HB LYS 62 1HB LYS 62 -19.540 9.104 -5.299 538 1HG LYS 62 2HG LYS 62 -22.002 8.409 -5.453 539 2HG LYS 62 1HG LYS 62 -21.789 7.694 -3.854 540 1HD LYS 62 2HD LYS 62 -20.747 10.066 -3.294 541 2HD LYS 62 1HD LYS 62 -21.734 10.577 -4.664 542 1HE LYS 62 2HE LYS 62 -23.122 8.802 -2.759 543 2HE LYS 62 1HE LYS 62 -22.658 10.368 -2.093 544 1HZ LYS 62 1HZ LYS 62 -24.721 9.753 -3.936 545 2HZ LYS 62 2HZ LYS 62 -23.645 10.880 -4.615 546 3HZ LYS 62 3HZ LYS 62 -24.405 11.213 -3.131 547 H VAL 63 H VAL 63 -19.784 5.875 -8.061 548 HA VAL 63 HA VAL 63 -18.885 8.174 -9.614 549 HB VAL 63 HB VAL 63 -16.758 7.359 -8.559 550 1HG1 VAL 63 1HG1 VAL 63 -17.622 4.917 -8.631 551 2HG1 VAL 63 2HG1 VAL 63 -15.919 5.194 -8.993 552 3HG1 VAL 63 3HG1 VAL 63 -17.066 4.917 -10.305 553 1HG2 VAL 63 1HG2 VAL 63 -17.273 7.350 -11.509 554 2HG2 VAL 63 2HG2 VAL 63 -15.681 6.844 -10.943 555 3HG2 VAL 63 3HG2 VAL 63 -16.288 8.452 -10.548 556 H SER 64 H SER 64 -20.114 7.928 -11.410 557 HA SER 64 HA SER 64 -20.711 5.161 -12.348 558 1HB SER 64 2HB SER 64 -22.691 6.519 -11.935 559 2HB SER 64 1HB SER 64 -22.055 7.815 -12.942 560 HG SER 64 HG SER 64 -23.466 6.587 -14.165 Start of MODEL 15 1 1H THR 1 1HT THR 1 18.142 14.042 9.581 2 2H THR 1 2HT THR 1 19.373 14.791 8.681 3 3H THR 1 3HT THR 1 19.637 13.266 9.382 4 HA THR 1 HA THR 1 17.526 12.674 7.914 5 HB THR 1 HB THR 1 17.692 13.826 5.762 6 HG1 THR 1 1HG THR 1 19.134 15.533 5.530 7 1HG2 THR 1 1HG2 THR 1 17.608 15.886 7.977 8 2HG2 THR 1 2HG2 THR 1 16.279 14.782 7.622 9 3HG2 THR 1 3HG2 THR 1 16.792 15.963 6.416 10 H ALA 2 H ALA 2 19.363 11.098 8.748 11 HA ALA 2 HA ALA 2 21.703 10.801 7.069 12 1HB ALA 2 1HB ALA 2 22.234 9.536 8.861 13 2HB ALA 2 2HB ALA 2 21.146 8.303 8.224 14 3HB ALA 2 3HB ALA 2 20.553 9.485 9.391 15 H GLN 3 H GLN 3 21.985 8.513 5.952 16 HA GLN 3 HA GLN 3 19.911 8.372 3.896 17 1HB GLN 3 2HB GLN 3 22.586 7.110 4.352 18 2HB GLN 3 1HB GLN 3 21.466 6.309 3.249 19 1HG GLN 3 2HG GLN 3 22.005 9.264 3.016 20 2HG GLN 3 1HG GLN 3 23.084 8.088 2.264 21 1HE2 GLN 3 1HE2 GLN 3 21.575 9.860 0.634 22 2HE2 GLN 3 2HE2 GLN 3 20.395 8.969 -0.200 23 H LYS 4 H LYS 4 18.027 7.410 4.543 24 HA LYS 4 HA LYS 4 17.984 4.581 5.089 25 1HB LYS 4 2HB LYS 4 16.822 4.986 7.408 26 2HB LYS 4 1HB LYS 4 18.584 4.962 7.321 27 1HG LYS 4 2HG LYS 4 18.538 7.463 7.056 28 2HG LYS 4 1HG LYS 4 16.801 7.411 7.354 29 1HD LYS 4 2HD LYS 4 17.522 6.028 9.488 30 2HD LYS 4 1HD LYS 4 19.062 6.853 9.241 31 1HE LYS 4 2HE LYS 4 17.520 8.988 9.004 32 2HE LYS 4 1HE LYS 4 16.384 8.008 9.931 33 1HZ LYS 4 1HZ LYS 4 18.290 7.609 11.507 34 2HZ LYS 4 2HZ LYS 4 17.650 9.183 11.497 35 3HZ LYS 4 3HZ LYS 4 19.114 8.853 10.701 36 H LYS 5 H LYS 5 16.653 5.617 3.125 37 HA LYS 5 HA LYS 5 14.530 6.009 2.200 38 1HB LYS 5 2HB LYS 5 13.534 4.773 4.781 39 2HB LYS 5 1HB LYS 5 12.699 4.816 3.228 40 1HG LYS 5 2HG LYS 5 15.058 3.642 2.513 41 2HG LYS 5 1HG LYS 5 14.860 3.027 4.155 42 1HD LYS 5 2HD LYS 5 12.874 2.808 1.876 43 2HD LYS 5 1HD LYS 5 13.752 1.488 2.650 44 1HE LYS 5 2HE LYS 5 11.721 3.288 4.007 45 2HE LYS 5 1HE LYS 5 11.438 1.623 3.497 46 1HZ LYS 5 1HZ LYS 5 12.858 2.628 5.794 47 2HZ LYS 5 2HZ LYS 5 13.693 1.411 4.952 48 3HZ LYS 5 3HZ LYS 5 12.128 1.117 5.546 49 HA PRO 6 HA PRO 6 13.809 9.817 4.547 50 1HB PRO 6 2HB PRO 6 13.395 11.349 2.302 51 2HB PRO 6 1HB PRO 6 15.000 11.002 2.968 52 1HG PRO 6 2HG PRO 6 13.694 9.878 0.537 53 2HG PRO 6 1HG PRO 6 15.418 10.050 0.905 54 1HD PRO 6 2HD PRO 6 13.903 7.658 1.088 55 2HD PRO 6 1HD PRO 6 15.539 7.917 1.731 56 H ARG 7 H ARG 7 11.777 9.782 5.431 57 HA ARG 7 HA ARG 7 9.430 9.497 5.560 58 1HB ARG 7 2HB ARG 7 8.262 11.264 4.278 59 2HB ARG 7 1HB ARG 7 9.716 11.886 5.060 60 1HG ARG 7 2HG ARG 7 10.946 11.867 3.020 61 2HG ARG 7 1HG ARG 7 9.729 10.880 2.210 62 1HD ARG 7 2HD ARG 7 8.516 13.282 3.267 63 2HD ARG 7 1HD ARG 7 9.886 13.695 2.236 64 HE ARG 7 HE ARG 7 8.784 12.458 0.408 65 1HH1 ARG 7 1HH1 ARG 7 6.846 14.529 1.746 66 2HH1 ARG 7 2HH1 ARG 7 5.370 13.626 1.680 67 1HH2 ARG 7 1HH2 ARG 7 6.936 10.612 0.983 68 2HH2 ARG 7 2HH2 ARG 7 5.421 11.407 1.250 69 H VAL 8 H VAL 8 10.208 7.284 4.257 70 HA VAL 8 HA VAL 8 8.975 7.143 1.600 71 HB VAL 8 HB VAL 8 10.483 5.247 3.368 72 1HG1 VAL 8 1HG1 VAL 8 8.391 4.496 1.374 73 2HG1 VAL 8 2HG1 VAL 8 8.900 3.648 2.834 74 3HG1 VAL 8 3HG1 VAL 8 9.889 3.565 1.375 75 1HG2 VAL 8 1HG2 VAL 8 11.350 6.800 1.439 76 2HG2 VAL 8 2HG2 VAL 8 10.684 5.555 0.384 77 3HG2 VAL 8 3HG2 VAL 8 11.947 5.144 1.543 78 H LEU 9 H LEU 9 6.799 7.778 2.207 79 HA LEU 9 HA LEU 9 5.309 5.719 3.774 80 1HB LEU 9 2HB LEU 9 5.242 8.219 4.411 81 2HB LEU 9 1HB LEU 9 4.269 8.434 2.957 82 HG LEU 9 HG LEU 9 2.791 6.536 3.867 83 1HD1 LEU 9 1HD1 LEU 9 4.820 6.674 5.906 84 2HD1 LEU 9 2HD1 LEU 9 3.479 5.538 5.763 85 3HD1 LEU 9 3HD1 LEU 9 3.254 7.067 6.614 86 1HD2 LEU 9 1HD2 LEU 9 2.461 9.147 3.965 87 2HD2 LEU 9 2HD2 LEU 9 2.753 8.927 5.690 88 3HD2 LEU 9 3HD2 LEU 9 1.403 8.100 4.912 89 H TRP 10 H TRP 10 5.596 7.339 0.695 90 HA TRP 10 HA TRP 10 4.264 5.263 -0.750 91 1HB TRP 10 2HB TRP 10 2.614 7.595 0.129 92 2HB TRP 10 1HB TRP 10 2.379 7.003 -1.515 93 HD1 TRP 10 HD TRP 10 0.821 6.573 1.609 94 HE1 TRP 10 1HE TRP 10 -0.199 4.226 1.922 95 HE3 TRP 10 3HE TRP 10 3.244 4.055 -2.115 96 HZ2 TRP 10 2HZ TRP 10 -0.010 1.624 0.748 97 HZ3 TRP 10 3HZ TRP 10 2.806 1.647 -2.495 98 HH2 TRP 10 HH TRP 10 1.183 0.428 -1.071 99 H THR 11 H THR 11 6.516 5.957 -1.567 100 HA THR 11 HA THR 11 6.244 8.246 -3.475 101 HB THR 11 HB THR 11 8.785 8.164 -3.490 102 HG1 THR 11 1HG THR 11 9.778 6.889 -2.061 103 1HG2 THR 11 1HG2 THR 11 8.440 8.714 -0.713 104 2HG2 THR 11 2HG2 THR 11 6.967 9.210 -1.546 105 3HG2 THR 11 3HG2 THR 11 8.526 9.866 -2.047 106 H HIS 12 H HIS 12 7.799 7.842 -5.465 107 HA HIS 12 HA HIS 12 6.772 5.775 -7.040 108 1HB HIS 12 2HB HIS 12 8.158 7.690 -7.875 109 2HB HIS 12 1HB HIS 12 9.586 6.877 -7.236 110 HD1 HIS 12 1HD HIS 12 7.397 6.993 -10.164 111 HD2 HIS 12 2HD HIS 12 10.019 4.218 -8.488 112 HE1 HIS 12 1HE HIS 12 7.870 5.276 -11.964 113 H GLU 13 H GLU 13 9.164 5.604 -4.535 114 HA GLU 13 HA GLU 13 10.295 3.053 -5.374 115 1HB GLU 13 2HB GLU 13 11.362 4.847 -3.839 116 2HB GLU 13 1HB GLU 13 10.355 4.156 -2.567 117 1HG GLU 13 2HG GLU 13 11.848 2.186 -4.195 118 2HG GLU 13 1HG GLU 13 12.845 3.236 -3.186 119 H LEU 14 H LEU 14 8.119 4.040 -2.709 120 HA LEU 14 HA LEU 14 7.510 1.385 -1.866 121 1HB LEU 14 2HB LEU 14 6.300 4.080 -1.468 122 2HB LEU 14 1HB LEU 14 5.289 2.682 -1.104 123 HG LEU 14 HG LEU 14 8.033 3.262 0.042 124 1HD1 LEU 14 1HD1 LEU 14 5.385 2.982 1.478 125 2HD1 LEU 14 2HD1 LEU 14 5.987 4.538 0.907 126 3HD1 LEU 14 3HD1 LEU 14 6.898 3.627 2.113 127 1HD2 LEU 14 1HD2 LEU 14 6.552 0.790 -0.276 128 2HD2 LEU 14 2HD2 LEU 14 6.760 1.167 1.433 129 3HD2 LEU 14 3HD2 LEU 14 8.170 1.034 0.381 130 H HIS 15 H HIS 15 6.423 3.215 -4.590 131 HA HIS 15 HA HIS 15 3.942 1.726 -4.963 132 1HB HIS 15 2HB HIS 15 4.494 4.094 -5.830 133 2HB HIS 15 1HB HIS 15 5.401 3.276 -7.101 134 HD1 HIS 15 1HD HIS 15 2.024 2.422 -5.542 135 HD2 HIS 15 2HD HIS 15 3.690 3.252 -9.272 136 HE1 HIS 15 1HE HIS 15 0.170 2.111 -7.240 137 H ASN 16 H ASN 16 7.284 1.278 -5.804 138 HA ASN 16 HA ASN 16 6.797 -0.541 -8.015 139 1HB ASN 16 2HB ASN 16 9.190 0.195 -6.346 140 2HB ASN 16 1HB ASN 16 9.262 -1.209 -7.412 141 1HD2 ASN 16 1HD2 ASN 16 10.669 -0.276 -9.009 142 2HD2 ASN 16 2HD2 ASN 16 10.209 1.042 -9.975 143 H LYS 17 H LYS 17 7.408 -0.931 -4.532 144 HA LYS 17 HA LYS 17 7.429 -3.840 -4.692 145 1HB LYS 17 2HB LYS 17 7.105 -1.928 -2.359 146 2HB LYS 17 1HB LYS 17 7.211 -3.679 -2.184 147 1HG LYS 17 2HG LYS 17 9.411 -3.565 -3.443 148 2HG LYS 17 1HG LYS 17 9.320 -1.810 -3.286 149 1HD LYS 17 2HD LYS 17 10.063 -1.909 -1.162 150 2HD LYS 17 1HD LYS 17 8.785 -3.047 -0.735 151 1HE LYS 17 2HE LYS 17 10.779 -4.377 -2.344 152 2HE LYS 17 1HE LYS 17 11.545 -3.595 -0.962 153 1HZ LYS 17 1HZ LYS 17 9.914 -5.908 -1.021 154 2HZ LYS 17 2HZ LYS 17 9.223 -4.736 -0.005 155 3HZ LYS 17 3HZ LYS 17 10.813 -5.268 0.266 156 H PHE 18 H PHE 18 5.043 -1.357 -3.832 157 HA PHE 18 HA PHE 18 2.967 -3.223 -3.119 158 1HB PHE 18 2HB PHE 18 2.811 -0.950 -2.333 159 2HB PHE 18 1HB PHE 18 2.894 -0.319 -3.977 160 HD1 PHE 18 1HD PHE 18 0.996 -0.578 -5.529 161 HD2 PHE 18 2HD PHE 18 0.768 -1.925 -1.457 162 HE1 PHE 18 1HE PHE 18 -1.470 -0.755 -5.726 163 HE2 PHE 18 2HE PHE 18 -1.699 -2.100 -1.653 164 HZ PHE 18 HZ PHE 18 -2.817 -1.516 -3.789 165 H LEU 19 H LEU 19 4.184 -2.050 -6.161 166 HA LEU 19 HA LEU 19 1.748 -2.727 -7.638 167 1HB LEU 19 2HB LEU 19 4.513 -1.809 -8.381 168 2HB LEU 19 1HB LEU 19 3.450 -2.476 -9.622 169 HG LEU 19 HG LEU 19 2.601 -0.254 -7.752 170 1HD1 LEU 19 1HD1 LEU 19 4.207 0.905 -8.929 171 2HD1 LEU 19 2HD1 LEU 19 2.893 1.007 -10.101 172 3HD1 LEU 19 3HD1 LEU 19 4.159 -0.207 -10.296 173 1HD2 LEU 19 1HD2 LEU 19 0.808 0.046 -9.369 174 2HD2 LEU 19 2HD2 LEU 19 0.846 -1.650 -8.885 175 3HD2 LEU 19 3HD2 LEU 19 1.522 -1.161 -10.438 176 H ALA 20 H ALA 20 4.983 -4.189 -7.218 177 HA ALA 20 HA ALA 20 4.312 -6.474 -8.889 178 1HB ALA 20 1HB ALA 20 6.436 -7.368 -8.218 179 2HB ALA 20 2HB ALA 20 6.487 -6.343 -6.784 180 3HB ALA 20 3HB ALA 20 6.667 -5.628 -8.386 181 H ALA 21 H ALA 21 3.771 -5.588 -5.596 182 HA ALA 21 HA ALA 21 3.414 -8.310 -4.612 183 1HB ALA 21 1HB ALA 21 3.662 -7.120 -2.705 184 2HB ALA 21 2HB ALA 21 1.996 -6.597 -2.930 185 3HB ALA 21 3HB ALA 21 3.319 -5.601 -3.533 186 H VAL 22 H VAL 22 1.264 -5.669 -5.673 187 HA VAL 22 HA VAL 22 -1.205 -7.066 -5.194 188 HB VAL 22 HB VAL 22 -0.653 -5.024 -7.362 189 1HG1 VAL 22 1HG1 VAL 22 -2.880 -5.026 -7.661 190 2HG1 VAL 22 2HG1 VAL 22 -3.166 -4.844 -5.930 191 3HG1 VAL 22 3HG1 VAL 22 -2.953 -6.451 -6.625 192 1HG2 VAL 22 1HG2 VAL 22 -0.037 -4.646 -4.741 193 2HG2 VAL 22 2HG2 VAL 22 -1.732 -4.160 -4.746 194 3HG2 VAL 22 3HG2 VAL 22 -0.580 -3.355 -5.811 195 H ASP 23 H ASP 23 0.885 -6.758 -8.012 196 HA ASP 23 HA ASP 23 -0.679 -8.220 -9.874 197 1HB ASP 23 2HB ASP 23 1.528 -6.894 -10.195 198 2HB ASP 23 1HB ASP 23 2.323 -8.398 -9.754 199 H HIS 24 H HIS 24 1.756 -9.309 -7.544 200 HA HIS 24 HA HIS 24 1.749 -12.067 -8.275 201 1HB HIS 24 2HB HIS 24 3.487 -11.161 -6.835 202 2HB HIS 24 1HB HIS 24 2.296 -10.755 -5.599 203 HD1 HIS 24 1HD HIS 24 4.515 -13.439 -6.669 204 HD2 HIS 24 2HD HIS 24 0.939 -13.201 -4.538 205 HE1 HIS 24 1HE HIS 24 4.260 -15.643 -5.449 206 H LEU 25 H LEU 25 -0.561 -10.183 -6.465 207 HA LEU 25 HA LEU 25 -1.931 -12.707 -5.635 208 1HB LEU 25 2HB LEU 25 -2.553 -9.940 -4.609 209 2HB LEU 25 1HB LEU 25 -2.947 -11.491 -3.868 210 HG LEU 25 HG LEU 25 -0.062 -10.875 -4.346 211 1HD1 LEU 25 1HD1 LEU 25 -1.490 -9.827 -1.902 212 2HD1 LEU 25 2HD1 LEU 25 -1.252 -8.819 -3.330 213 3HD1 LEU 25 3HD1 LEU 25 0.141 -9.459 -2.462 214 1HD2 LEU 25 1HD2 LEU 25 -1.341 -12.006 -1.866 215 2HD2 LEU 25 2HD2 LEU 25 0.254 -12.340 -2.540 216 3HD2 LEU 25 3HD2 LEU 25 -1.186 -13.008 -3.309 217 H GLY 26 H GLY 26 -2.050 -10.379 -8.021 218 1HA GLY 26 2HA GLY 26 -3.721 -10.113 -9.685 219 2HA GLY 26 1HA GLY 26 -4.793 -11.139 -8.725 220 H VAL 27 H VAL 27 -4.105 -7.946 -9.604 221 HA VAL 27 HA VAL 27 -4.839 -6.415 -7.367 222 HB VAL 27 HB VAL 27 -4.046 -5.501 -9.562 223 1HG1 VAL 27 1HG1 VAL 27 -5.202 -5.883 -11.458 224 2HG1 VAL 27 2HG1 VAL 27 -6.681 -5.246 -10.739 225 3HG1 VAL 27 3HG1 VAL 27 -6.259 -6.947 -10.533 226 1HG2 VAL 27 1HG2 VAL 27 -5.772 -3.574 -9.569 227 2HG2 VAL 27 2HG2 VAL 27 -4.907 -3.879 -8.062 228 3HG2 VAL 27 3HG2 VAL 27 -6.563 -4.453 -8.260 229 H GLU 28 H GLU 28 -6.780 -8.564 -9.236 230 HA GLU 28 HA GLU 28 -9.349 -7.367 -8.779 231 1HB GLU 28 2HB GLU 28 -8.496 -10.225 -9.298 232 2HB GLU 28 1HB GLU 28 -10.187 -9.744 -9.150 233 1HG GLU 28 2HG GLU 28 -10.199 -8.680 -11.170 234 2HG GLU 28 1HG GLU 28 -8.550 -8.084 -10.978 235 H ARG 29 H ARG 29 -7.562 -9.890 -6.983 236 HA ARG 29 HA ARG 29 -9.434 -9.401 -4.697 237 1HB ARG 29 2HB ARG 29 -8.173 -11.884 -5.781 238 2HB ARG 29 1HB ARG 29 -8.407 -11.774 -4.036 239 1HG ARG 29 2HG ARG 29 -10.817 -11.094 -4.536 240 2HG ARG 29 1HG ARG 29 -10.511 -11.590 -6.200 241 1HD ARG 29 2HD ARG 29 -11.537 -13.371 -4.681 242 2HD ARG 29 1HD ARG 29 -10.077 -13.848 -5.548 243 HE ARG 29 HE ARG 29 -9.262 -14.304 -3.384 244 1HH1 ARG 29 1HH2 ARG 29 -11.917 -12.538 -2.638 245 2HH1 ARG 29 2HH2 ARG 29 -11.203 -11.600 -1.369 246 1HH2 ARG 29 1HH1 ARG 29 -7.962 -12.596 -2.093 247 2HH2 ARG 29 2HH1 ARG 29 -8.965 -11.633 -1.061 248 H ALA 30 H ALA 30 -6.611 -8.320 -5.609 249 HA ALA 30 HA ALA 30 -4.729 -9.131 -3.618 250 1HB ALA 30 1HB ALA 30 -4.451 -7.658 -5.793 251 2HB ALA 30 2HB ALA 30 -3.380 -7.413 -4.414 252 3HB ALA 30 3HB ALA 30 -4.744 -6.326 -4.676 253 H VAL 31 H VAL 31 -4.894 -8.836 -1.449 254 HA VAL 31 HA VAL 31 -6.547 -6.553 -0.465 255 HB VAL 31 HB VAL 31 -6.450 -7.854 1.727 256 1HG1 VAL 31 1HG1 VAL 31 -7.900 -9.805 0.552 257 2HG1 VAL 31 2HG1 VAL 31 -7.827 -8.656 -0.784 258 3HG1 VAL 31 3HG1 VAL 31 -8.510 -8.164 0.766 259 1HG2 VAL 31 1HG2 VAL 31 -4.480 -9.275 0.401 260 2HG2 VAL 31 2HG2 VAL 31 -5.873 -10.353 0.293 261 3HG2 VAL 31 3HG2 VAL 31 -5.300 -9.807 1.869 262 HA PRO 32 HA PRO 32 -2.956 -4.631 1.160 263 1HB PRO 32 2HB PRO 32 -4.015 -3.425 3.397 264 2HB PRO 32 1HB PRO 32 -4.295 -2.845 1.746 265 1HG PRO 32 2HG PRO 32 -6.150 -4.324 3.557 266 2HG PRO 32 1HG PRO 32 -6.525 -3.200 2.240 267 1HD PRO 32 2HD PRO 32 -6.685 -6.017 2.093 268 2HD PRO 32 1HD PRO 32 -6.700 -4.901 0.710 269 H LYS 33 H LYS 33 -4.776 -6.821 3.187 270 HA LYS 33 HA LYS 33 -2.897 -6.935 5.373 271 1HB LYS 33 2HB LYS 33 -5.129 -7.716 5.765 272 2HB LYS 33 1HB LYS 33 -5.052 -8.818 4.392 273 1HG LYS 33 2HG LYS 33 -2.950 -9.169 6.457 274 2HG LYS 33 1HG LYS 33 -4.590 -9.614 6.934 275 1HD LYS 33 2HD LYS 33 -4.793 -11.138 5.067 276 2HD LYS 33 1HD LYS 33 -3.262 -10.585 4.387 277 1HE LYS 33 2HE LYS 33 -2.009 -11.794 5.874 278 2HE LYS 33 1HE LYS 33 -3.161 -11.563 7.189 279 1HZ LYS 33 1HZ LYS 33 -2.967 -13.700 5.284 280 2HZ LYS 33 2HZ LYS 33 -4.539 -13.065 5.404 281 3HZ LYS 33 3HZ LYS 33 -3.750 -13.658 6.788 282 H LYS 34 H LYS 34 -3.382 -8.906 2.436 283 HA LYS 34 HA LYS 34 -1.202 -10.709 3.043 284 1HB LYS 34 2HB LYS 34 -2.586 -10.053 0.421 285 2HB LYS 34 1HB LYS 34 -1.411 -11.353 0.626 286 1HG LYS 34 2HG LYS 34 -3.492 -11.436 2.669 287 2HG LYS 34 1HG LYS 34 -4.160 -11.553 1.041 288 1HD LYS 34 2HD LYS 34 -3.271 -13.612 0.698 289 2HD LYS 34 1HD LYS 34 -1.735 -13.170 1.445 290 1HE LYS 34 2HE LYS 34 -2.370 -14.448 3.196 291 2HE LYS 34 1HE LYS 34 -3.521 -13.168 3.576 292 1HZ LYS 34 1HZ LYS 34 -4.753 -14.566 1.604 293 2HZ LYS 34 2HZ LYS 34 -5.069 -14.716 3.267 294 3HZ LYS 34 3HZ LYS 34 -3.991 -15.786 2.503 295 H ILE 35 H ILE 35 -1.486 -7.838 0.915 296 HA ILE 35 HA ILE 35 1.254 -7.954 0.072 297 HB ILE 35 HB ILE 35 -0.700 -5.643 0.218 298 1HG1 ILE 35 2HG1 ILE 35 0.146 -7.670 -1.833 299 2HG1 ILE 35 1HG1 ILE 35 -1.472 -7.101 -1.437 300 1HG2 ILE 35 1HG2 ILE 35 0.912 -4.205 -0.494 301 2HG2 ILE 35 2HG2 ILE 35 1.606 -5.395 -1.592 302 3HG2 ILE 35 3HG2 ILE 35 2.060 -5.397 0.107 303 1HD1 ILE 35 1HD1 ILE 35 -0.605 -6.293 -3.660 304 2HD1 ILE 35 2HD1 ILE 35 0.624 -5.382 -2.795 305 3HD1 ILE 35 3HD1 ILE 35 -1.079 -5.000 -2.564 306 H LEU 36 H LEU 36 -0.323 -6.829 2.964 307 HA LEU 36 HA LEU 36 1.621 -5.061 3.988 308 1HB LEU 36 2HB LEU 36 -0.432 -5.451 5.229 309 2HB LEU 36 1HB LEU 36 -0.034 -7.159 5.432 310 HG LEU 36 HG LEU 36 2.080 -6.381 6.635 311 1HD1 LEU 36 1HD1 LEU 36 0.730 -3.801 6.064 312 2HD1 LEU 36 2HD1 LEU 36 2.444 -4.150 6.284 313 3HD1 LEU 36 3HD1 LEU 36 1.391 -3.979 7.689 314 1HD2 LEU 36 1HD2 LEU 36 -0.344 -5.402 8.108 315 2HD2 LEU 36 2HD2 LEU 36 0.973 -6.425 8.683 316 3HD2 LEU 36 3HD2 LEU 36 -0.267 -7.095 7.623 317 H ASP 37 H ASP 37 1.606 -8.579 3.729 318 HA ASP 37 HA ASP 37 4.092 -8.903 5.234 319 1HB ASP 37 2HB ASP 37 2.450 -10.705 3.444 320 2HB ASP 37 1HB ASP 37 4.020 -11.212 4.067 321 H LEU 38 H LEU 38 3.122 -8.513 1.875 322 HA LEU 38 HA LEU 38 5.559 -9.136 0.577 323 1HB LEU 38 2HB LEU 38 3.221 -7.356 -0.030 324 2HB LEU 38 1HB LEU 38 4.656 -7.255 -1.051 325 HG LEU 38 HG LEU 38 3.618 -9.977 -0.414 326 1HD1 LEU 38 1HD1 LEU 38 1.999 -7.906 -1.630 327 2HD1 LEU 38 2HD1 LEU 38 1.565 -9.572 -1.253 328 3HD1 LEU 38 3HD1 LEU 38 2.333 -9.187 -2.794 329 1HD2 LEU 38 1HD2 LEU 38 4.384 -10.382 -2.714 330 2HD2 LEU 38 2HD2 LEU 38 5.652 -9.579 -1.789 331 3HD2 LEU 38 3HD2 LEU 38 4.677 -8.658 -2.935 332 H MET 39 H MET 39 4.514 -6.212 2.273 333 HA MET 39 HA MET 39 6.929 -4.748 1.442 334 1HB MET 39 2HB MET 39 4.691 -4.044 3.364 335 2HB MET 39 1HB MET 39 6.011 -2.958 2.930 336 1HG MET 39 2HG MET 39 5.348 -3.099 0.555 337 2HG MET 39 1HG MET 39 4.020 -4.174 0.992 338 1HE MET 39 1HE MET 39 5.328 -1.205 0.201 339 2HE MET 39 2HE MET 39 5.047 -0.024 1.478 340 3HE MET 39 3HE MET 39 3.917 -0.139 0.132 341 H ASN 40 H ASN 40 5.582 -6.049 4.486 342 HA ASN 40 HA ASN 40 6.648 -6.516 6.526 343 1HB ASN 40 2HB ASN 40 7.810 -8.068 4.776 344 2HB ASN 40 1HB ASN 40 9.169 -6.955 4.935 345 1HD2 ASN 40 1HD2 ASN 40 10.540 -8.464 6.080 346 2HD2 ASN 40 2HD2 ASN 40 10.191 -8.981 7.659 347 H VAL 41 H VAL 41 6.832 -3.765 5.276 348 HA VAL 41 HA VAL 41 9.423 -2.710 6.108 349 HB VAL 41 HB VAL 41 6.852 -1.232 5.471 350 1HG1 VAL 41 1HG1 VAL 41 8.725 0.499 4.801 351 2HG1 VAL 41 2HG1 VAL 41 9.708 -0.430 5.933 352 3HG1 VAL 41 3HG1 VAL 41 8.227 0.353 6.487 353 1HG2 VAL 41 1HG2 VAL 41 8.110 -2.860 3.736 354 2HG2 VAL 41 2HG2 VAL 41 9.120 -1.426 3.544 355 3HG2 VAL 41 3HG2 VAL 41 7.388 -1.332 3.232 356 H ASP 42 H ASP 42 9.671 -1.131 7.864 357 HA ASP 42 HA ASP 42 8.152 -1.941 10.245 358 1HB ASP 42 2HB ASP 42 9.738 -0.455 11.444 359 2HB ASP 42 1HB ASP 42 10.582 -1.612 10.413 360 H LYS 43 H LYS 43 6.738 -0.599 11.401 361 HA LYS 43 HA LYS 43 5.383 1.286 11.835 362 1HB LYS 43 2HB LYS 43 7.597 2.496 11.051 363 2HB LYS 43 1HB LYS 43 6.665 2.802 9.585 364 1HG LYS 43 2HG LYS 43 5.559 4.468 10.612 365 2HG LYS 43 1HG LYS 43 4.994 3.344 11.849 366 1HD LYS 43 2HD LYS 43 7.767 4.544 11.921 367 2HD LYS 43 1HD LYS 43 6.382 5.337 12.674 368 1HE LYS 43 2HE LYS 43 6.825 2.446 13.281 369 2HE LYS 43 1HE LYS 43 7.905 3.619 14.036 370 1HZ LYS 43 1HZ LYS 43 5.868 3.102 15.336 371 2HZ LYS 43 2HZ LYS 43 4.946 3.825 14.106 372 3HZ LYS 43 3HZ LYS 43 6.066 4.749 14.988 373 H LEU 44 H LEU 44 5.435 -0.620 9.195 374 HA LEU 44 HA LEU 44 3.144 0.791 7.891 375 1HB LEU 44 2HB LEU 44 5.319 -0.982 6.863 376 2HB LEU 44 1HB LEU 44 3.741 -1.083 6.082 377 HG LEU 44 HG LEU 44 5.243 1.510 6.539 378 1HD1 LEU 44 1HD1 LEU 44 6.567 0.635 4.884 379 2HD1 LEU 44 2HD1 LEU 44 5.237 1.171 3.857 380 3HD1 LEU 44 3HD1 LEU 44 5.336 -0.516 4.364 381 1HD2 LEU 44 1HD2 LEU 44 3.373 2.523 5.776 382 2HD2 LEU 44 2HD2 LEU 44 2.548 0.975 5.959 383 3HD2 LEU 44 3HD2 LEU 44 3.264 1.415 4.409 384 H THR 45 H THR 45 1.383 -0.002 9.029 385 HA THR 45 HA THR 45 1.219 -2.914 9.554 386 HB THR 45 HB THR 45 -0.637 -2.398 10.978 387 HG1 THR 45 1HG THR 45 -1.810 -0.627 10.753 388 1HG2 THR 45 1HG2 THR 45 1.683 -0.512 11.090 389 2HG2 THR 45 2HG2 THR 45 1.216 -1.779 12.222 390 3HG2 THR 45 3HG2 THR 45 0.335 -0.252 12.196 391 H ARG 46 H ARG 46 -1.021 -3.909 9.069 392 HA ARG 46 HA ARG 46 -1.509 -3.820 6.266 393 1HB ARG 46 2HB ARG 46 -3.555 -5.128 6.791 394 2HB ARG 46 1HB ARG 46 -2.144 -5.753 7.645 395 1HG ARG 46 2HG ARG 46 -3.115 -5.371 9.638 396 2HG ARG 46 1HG ARG 46 -3.408 -3.684 9.215 397 1HD ARG 46 2HD ARG 46 -5.597 -4.101 8.902 398 2HD ARG 46 1HD ARG 46 -5.218 -5.367 7.734 399 HE ARG 46 HE ARG 46 -4.782 -6.408 10.348 400 1HH1 ARG 46 1HH2 ARG 46 -7.055 -5.963 7.854 401 2HH1 ARG 46 2HH2 ARG 46 -8.374 -6.679 8.719 402 1HH2 ARG 46 1HH1 ARG 46 -6.586 -7.047 11.667 403 2HH2 ARG 46 2HH1 ARG 46 -8.109 -7.290 10.878 404 H GLU 47 H GLU 47 -2.692 -1.854 8.872 405 HA GLU 47 HA GLU 47 -5.040 -0.851 7.491 406 1HB GLU 47 2HB GLU 47 -4.661 -0.773 9.997 407 2HB GLU 47 1HB GLU 47 -3.485 0.509 9.708 408 1HG GLU 47 2HG GLU 47 -5.667 1.488 10.246 409 2HG GLU 47 1HG GLU 47 -5.246 1.839 8.569 410 H ASN 48 H ASN 48 -1.646 0.077 7.680 411 HA ASN 48 HA ASN 48 -1.928 2.676 6.487 412 1HB ASN 48 2HB ASN 48 0.319 0.743 6.909 413 2HB ASN 48 1HB ASN 48 0.560 2.067 5.769 414 1HD2 ASN 48 1HD2 ASN 48 -0.911 1.679 9.055 415 2HD2 ASN 48 2HD2 ASN 48 -0.190 3.075 9.696 416 H VAL 49 H VAL 49 -1.578 -0.577 5.147 417 HA VAL 49 HA VAL 49 -1.334 0.441 2.404 418 HB VAL 49 HB VAL 49 -1.787 -2.380 3.429 419 1HG1 VAL 49 1HG1 VAL 49 -0.879 -1.364 0.719 420 2HG1 VAL 49 2HG1 VAL 49 -2.473 -2.030 1.072 421 3HG1 VAL 49 3HG1 VAL 49 -1.042 -3.057 1.187 422 1HG2 VAL 49 1HG2 VAL 49 0.762 -1.042 2.473 423 2HG2 VAL 49 2HG2 VAL 49 0.607 -2.672 3.124 424 3HG2 VAL 49 3HG2 VAL 49 0.349 -1.277 4.171 425 H ALA 50 H ALA 50 -3.832 -0.773 4.550 426 HA ALA 50 HA ALA 50 -5.819 -1.110 2.461 427 1HB ALA 50 1HB ALA 50 -7.260 -0.751 4.771 428 2HB ALA 50 2HB ALA 50 -5.714 -1.317 5.400 429 3HB ALA 50 3HB ALA 50 -6.605 -2.297 4.236 430 H SER 51 H SER 51 -4.555 1.560 4.237 431 HA SER 51 HA SER 51 -6.876 3.291 3.936 432 1HB SER 51 2HB SER 51 -4.018 3.667 4.778 433 2HB SER 51 1HB SER 51 -4.992 5.079 4.379 434 HG SER 51 HG SER 51 -6.039 4.819 6.180 435 H HIS 52 H HIS 52 -3.716 3.015 2.281 436 HA HIS 52 HA HIS 52 -4.166 5.058 0.356 437 1HB HIS 52 2HB HIS 52 -1.964 3.994 0.686 438 2HB HIS 52 1HB HIS 52 -2.599 2.476 0.050 439 HD1 HIS 52 1HD HIS 52 -1.826 6.025 -1.023 440 HD2 HIS 52 2HD HIS 52 -2.722 2.338 -2.750 441 HE1 HIS 52 1HE HIS 52 -1.463 6.294 -3.516 442 H LEU 53 H LEU 53 -5.090 1.639 0.407 443 HA LEU 53 HA LEU 53 -6.125 1.581 -2.288 444 1HB LEU 53 2HB LEU 53 -5.560 -0.474 -1.029 445 2HB LEU 53 1HB LEU 53 -6.860 -0.128 0.112 446 HG LEU 53 HG LEU 53 -8.300 0.003 -2.129 447 1HD1 LEU 53 1HD1 LEU 53 -5.796 -1.479 -2.836 448 2HD1 LEU 53 2HD1 LEU 53 -6.788 -0.416 -3.835 449 3HD1 LEU 53 3HD1 LEU 53 -7.327 -2.060 -3.493 450 1HD2 LEU 53 1HD2 LEU 53 -8.613 -2.558 -1.843 451 2HD2 LEU 53 2HD2 LEU 53 -8.939 -1.531 -0.448 452 3HD2 LEU 53 3HD2 LEU 53 -7.417 -2.417 -0.554 453 H GLN 54 H GLN 54 -7.556 2.268 0.889 454 HA GLN 54 HA GLN 54 -10.270 2.450 0.015 455 1HB GLN 54 2HB GLN 54 -8.706 3.475 2.351 456 2HB GLN 54 1HB GLN 54 -10.301 4.169 2.052 457 1HG GLN 54 2HG GLN 54 -10.789 1.483 1.730 458 2HG GLN 54 1HG GLN 54 -9.576 1.481 3.012 459 1HE2 GLN 54 1HE2 GLN 54 -11.775 0.661 4.128 460 2HE2 GLN 54 2HE2 GLN 54 -12.681 1.880 4.886 461 H LYS 55 H LYS 55 -7.569 4.687 -0.162 462 HA LYS 55 HA LYS 55 -9.023 7.085 -0.684 463 1HB LYS 55 2HB LYS 55 -6.262 6.107 -1.374 464 2HB LYS 55 1HB LYS 55 -6.849 7.622 -2.059 465 1HG LYS 55 2HG LYS 55 -7.072 8.635 0.052 466 2HG LYS 55 1HG LYS 55 -7.073 7.087 0.897 467 1HD LYS 55 2HD LYS 55 -4.899 7.753 1.319 468 2HD LYS 55 1HD LYS 55 -4.655 6.890 -0.201 469 1HE LYS 55 2HE LYS 55 -4.960 9.077 -1.409 470 2HE LYS 55 1HE LYS 55 -4.991 9.881 0.159 471 1HZ LYS 55 1HZ LYS 55 -2.793 9.852 0.190 472 2HZ LYS 55 2HZ LYS 55 -2.765 9.104 -1.337 473 3HZ LYS 55 3HZ LYS 55 -2.781 8.160 0.076 474 H PHE 56 H PHE 56 -8.027 4.420 -2.790 475 HA PHE 56 HA PHE 56 -8.742 5.660 -5.277 476 1HB PHE 56 2HB PHE 56 -7.387 3.641 -5.269 477 2HB PHE 56 1HB PHE 56 -8.656 2.741 -4.439 478 HD1 PHE 56 1HD PHE 56 -9.228 1.075 -6.037 479 HD2 PHE 56 2HD PHE 56 -9.050 5.204 -7.208 480 HE1 PHE 56 1HE PHE 56 -10.241 0.498 -8.225 481 HE2 PHE 56 2HE PHE 56 -10.064 4.627 -9.397 482 HZ PHE 56 HZ PHE 56 -10.659 2.274 -9.905 483 H ARG 57 H ARG 57 -10.580 3.535 -3.062 484 HA ARG 57 HA ARG 57 -12.989 3.429 -4.548 485 1HB ARG 57 2HB ARG 57 -12.251 3.178 -1.672 486 2HB ARG 57 1HB ARG 57 -13.948 3.515 -2.019 487 1HG ARG 57 2HG ARG 57 -13.920 1.185 -2.104 488 2HG ARG 57 1HG ARG 57 -13.665 1.598 -3.800 489 1HD ARG 57 2HD ARG 57 -11.159 1.503 -3.304 490 2HD ARG 57 1HD ARG 57 -11.592 0.755 -1.766 491 HE ARG 57 HE ARG 57 -11.594 -0.570 -4.322 492 1HH1 ARG 57 1HH2 ARG 57 -14.491 -0.679 -3.760 493 2HH1 ARG 57 2HH2 ARG 57 -14.637 -2.084 -2.756 494 1HH2 ARG 57 1HH1 ARG 57 -11.261 -2.211 -1.982 495 2HH2 ARG 57 2HH1 ARG 57 -12.810 -2.951 -1.751 496 H VAL 58 H VAL 58 -11.670 5.925 -2.424 497 HA VAL 58 HA VAL 58 -13.998 7.618 -2.414 498 HB VAL 58 HB VAL 58 -11.046 8.240 -2.065 499 1HG1 VAL 58 1HG1 VAL 58 -13.087 10.098 -0.997 500 2HG1 VAL 58 2HG1 VAL 58 -12.933 10.091 -2.753 501 3HG1 VAL 58 3HG1 VAL 58 -11.530 10.447 -1.746 502 1HG2 VAL 58 1HG2 VAL 58 -11.842 8.507 0.345 503 2HG2 VAL 58 2HG2 VAL 58 -11.854 6.858 -0.279 504 3HG2 VAL 58 3HG2 VAL 58 -13.359 7.770 -0.167 505 H ALA 59 H ALA 59 -11.193 7.273 -4.535 506 HA ALA 59 HA ALA 59 -11.936 9.497 -6.255 507 1HB ALA 59 1HB ALA 59 -9.889 9.136 -7.142 508 2HB ALA 59 2HB ALA 59 -10.299 7.469 -7.544 509 3HB ALA 59 3HB ALA 59 -9.677 7.862 -5.941 510 H LEU 60 H LEU 60 -13.059 6.340 -5.794 511 HA LEU 60 HA LEU 60 -13.903 5.827 -8.541 512 1HB LEU 60 2HB LEU 60 -14.167 4.469 -5.893 513 2HB LEU 60 1HB LEU 60 -15.335 4.054 -7.145 514 HG LEU 60 HG LEU 60 -12.327 3.994 -7.515 515 1HD1 LEU 60 1HD1 LEU 60 -13.903 2.199 -6.084 516 2HD1 LEU 60 2HD1 LEU 60 -12.317 1.858 -6.777 517 3HD1 LEU 60 3HD1 LEU 60 -13.778 1.463 -7.682 518 1HD2 LEU 60 1HD2 LEU 60 -12.979 4.084 -9.691 519 2HD2 LEU 60 2HD2 LEU 60 -14.660 3.725 -9.295 520 3HD2 LEU 60 3HD2 LEU 60 -13.491 2.414 -9.445 521 H LYS 61 H LYS 61 -14.886 8.092 -6.449 522 HA LYS 61 HA LYS 61 -16.781 9.505 -6.652 523 1HB LYS 61 2HB LYS 61 -17.230 8.275 -8.870 524 2HB LYS 61 1HB LYS 61 -18.295 7.226 -7.932 525 1HG LYS 61 2HG LYS 61 -19.441 9.329 -7.089 526 2HG LYS 61 1HG LYS 61 -18.518 10.221 -8.300 527 1HD LYS 61 2HD LYS 61 -19.947 7.801 -9.266 528 2HD LYS 61 1HD LYS 61 -20.959 9.170 -8.803 529 1HE LYS 61 2HE LYS 61 -18.611 9.334 -10.715 530 2HE LYS 61 1HE LYS 61 -20.302 9.241 -11.209 531 1HZ LYS 61 1HZ LYS 61 -20.033 11.257 -9.280 532 2HZ LYS 61 2HZ LYS 61 -20.487 11.410 -10.909 533 3HZ LYS 61 3HZ LYS 61 -18.849 11.505 -10.468 534 H LYS 62 H LYS 62 -16.565 9.048 -4.311 535 HA LYS 62 HA LYS 62 -17.376 8.234 -2.245 536 1HB LYS 62 2HB LYS 62 -19.209 9.785 -3.397 537 2HB LYS 62 1HB LYS 62 -20.121 8.275 -3.432 538 1HG LYS 62 2HG LYS 62 -20.627 9.441 -1.357 539 2HG LYS 62 1HG LYS 62 -19.670 8.007 -0.982 540 1HD LYS 62 2HD LYS 62 -17.753 9.243 -0.502 541 2HD LYS 62 1HD LYS 62 -18.270 10.615 -1.482 542 1HE LYS 62 2HE LYS 62 -18.664 11.440 0.656 543 2HE LYS 62 1HE LYS 62 -20.236 10.735 0.280 544 1HZ LYS 62 1HZ LYS 62 -19.874 9.726 2.252 545 2HZ LYS 62 2HZ LYS 62 -18.181 9.825 2.136 546 3HZ LYS 62 3HZ LYS 62 -19.027 8.619 1.287 547 H VAL 63 H VAL 63 -16.406 6.060 -3.318 548 HA VAL 63 HA VAL 63 -18.617 4.045 -3.221 549 HB VAL 63 HB VAL 63 -15.983 3.855 -4.714 550 1HG1 VAL 63 1HG1 VAL 63 -18.168 1.947 -4.070 551 2HG1 VAL 63 2HG1 VAL 63 -16.460 1.638 -4.384 552 3HG1 VAL 63 3HG1 VAL 63 -17.568 1.912 -5.729 553 1HG2 VAL 63 1HG2 VAL 63 -17.740 3.768 -6.671 554 2HG2 VAL 63 2HG2 VAL 63 -17.262 5.330 -6.005 555 3HG2 VAL 63 3HG2 VAL 63 -18.787 4.592 -5.514 556 H SER 64 H SER 64 -17.755 4.681 -0.804 557 HA SER 64 HA SER 64 -15.363 3.214 -0.002 558 1HB SER 64 2HB SER 64 -16.061 3.815 2.291 559 2HB SER 64 1HB SER 64 -16.101 5.221 1.231 560 HG SER 64 HG SER 64 -18.083 5.359 1.940
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