NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
460728 | 2d8j | 11214 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 12.304 -9.385 -9.360 2 HA2 GLY 1 1HA GLY 1 14.463 -9.322 -10.136 3 HA3 GLY 1 2HA GLY 1 13.961 -7.953 -11.117 4 H SER 2 H SER 2 16.251 -7.340 -10.640 5 HA SER 2 HA SER 2 16.414 -5.925 -8.059 6 HB2 SER 2 1HB SER 2 18.812 -6.218 -8.095 7 HB3 SER 2 2HB SER 2 18.059 -7.795 -8.337 8 HG SER 2 HG SER 2 19.878 -7.048 -9.796 9 H SER 3 H SER 3 17.288 -5.817 -11.489 10 HA SER 3 HA SER 3 17.569 -2.893 -11.257 11 HB2 SER 3 1HB SER 3 18.885 -3.067 -13.391 12 HB3 SER 3 2HB SER 3 19.634 -3.877 -12.015 13 HG SER 3 HG SER 3 18.574 -4.937 -14.340 14 H GLY 4 H GLY 4 16.519 -5.412 -13.557 15 HA2 GLY 4 1HA GLY 4 15.057 -3.626 -15.206 16 HA3 GLY 4 2HA GLY 4 14.912 -5.377 -15.200 17 H SER 5 H SER 5 13.424 -6.370 -13.759 18 HA SER 5 HA SER 5 10.948 -5.126 -13.581 19 HB2 SER 5 1HB SER 5 11.351 -7.592 -13.467 20 HB3 SER 5 2HB SER 5 11.926 -7.380 -11.814 21 HG SER 5 HG SER 5 9.332 -7.088 -12.852 22 H SER 6 H SER 6 10.339 -3.458 -12.390 23 HA SER 6 HA SER 6 11.802 -2.349 -10.289 24 HB2 SER 6 1HB SER 6 8.855 -2.054 -10.919 25 HB3 SER 6 2HB SER 6 9.763 -1.011 -9.824 26 HG SER 6 HG SER 6 10.283 -1.384 -12.592 27 H GLY 7 H GLY 7 10.777 -1.947 -8.048 28 HA2 GLY 7 1HA GLY 7 9.074 -3.810 -6.844 29 HA3 GLY 7 2HA GLY 7 10.717 -4.409 -6.672 30 H GLN 8 H GLN 8 8.435 -1.961 -5.725 31 HA GLN 8 HA GLN 8 10.350 -1.021 -3.692 32 HB2 GLN 8 1HB GLN 8 8.182 0.453 -5.172 33 HB3 GLN 8 2HB GLN 8 8.855 1.062 -3.666 34 HG2 GLN 8 1HG GLN 8 10.916 1.493 -4.602 35 HG3 GLN 8 2HG GLN 8 10.675 0.344 -5.916 36 HE21 GLN 8 1HE2 GLN 8 9.111 0.920 -7.568 37 HE22 GLN 8 2HE2 GLN 8 8.879 2.585 -7.965 38 H TYR 9 H TYR 9 9.847 -2.218 -1.940 39 HA TYR 9 HA TYR 9 7.035 -2.553 -1.202 40 HB2 TYR 9 1HB TYR 9 9.431 -3.775 0.168 41 HB3 TYR 9 2HB TYR 9 7.750 -4.286 0.275 42 HD1 TYR 9 2HD TYR 9 6.832 -4.511 -2.418 43 HD2 TYR 9 1HD TYR 9 10.685 -5.417 -0.855 44 HE1 TYR 9 2HE TYR 9 7.197 -6.105 -4.255 45 HE2 TYR 9 1HE TYR 9 11.060 -7.012 -2.689 46 HH TYR 9 HH TYR 9 8.814 -7.300 -5.362 47 H PHE 10 H PHE 10 6.145 -1.703 0.616 48 HA PHE 10 HA PHE 10 7.882 -0.102 2.368 49 HB2 PHE 10 1HB PHE 10 5.366 0.732 0.961 50 HB3 PHE 10 2HB PHE 10 5.806 1.474 2.495 51 HD1 PHE 10 1HD PHE 10 7.227 0.720 -0.863 52 HD2 PHE 10 2HD PHE 10 7.169 3.332 2.497 53 HE1 PHE 10 1HE PHE 10 8.719 2.275 -2.050 54 HE2 PHE 10 2HE PHE 10 8.661 4.891 1.315 55 HZ PHE 10 HZ PHE 10 9.437 4.364 -0.962 56 H VAL 11 H VAL 11 7.126 0.181 4.518 57 HA VAL 11 HA VAL 11 5.162 -1.859 5.336 58 HB VAL 11 HB VAL 11 7.396 -2.328 6.187 59 HG11 VAL 11 1HG1 VAL 11 8.213 0.009 6.153 60 HG12 VAL 11 2HG1 VAL 11 7.241 0.337 7.590 61 HG13 VAL 11 3HG1 VAL 11 8.565 -0.827 7.665 62 HG21 VAL 11 1HG2 VAL 11 5.513 -2.950 7.580 63 HG22 VAL 11 2HG2 VAL 11 6.862 -2.435 8.592 64 HG23 VAL 11 3HG2 VAL 11 5.500 -1.349 8.320 65 H ALA 12 H ALA 12 3.502 -1.314 6.675 66 HA ALA 12 HA ALA 12 2.874 1.494 6.898 67 HB1 ALA 12 1HB ALA 12 1.425 -1.025 7.071 68 HB2 ALA 12 2HB ALA 12 0.914 0.151 8.282 69 HB3 ALA 12 3HB ALA 12 0.868 0.572 6.570 70 H LEU 13 H LEU 13 3.754 2.658 8.478 71 HA LEU 13 HA LEU 13 4.762 1.548 10.889 72 HB2 LEU 13 1HB LEU 13 4.121 4.435 10.321 73 HB3 LEU 13 2HB LEU 13 5.228 3.813 11.543 74 HG LEU 13 HG LEU 13 5.766 3.227 8.667 75 HD11 LEU 13 1HD1 LEU 13 7.245 5.492 9.220 76 HD12 LEU 13 2HD1 LEU 13 5.637 5.881 9.829 77 HD13 LEU 13 3HD1 LEU 13 5.848 5.389 8.149 78 HD21 LEU 13 1HD2 LEU 13 8.027 3.137 9.392 79 HD22 LEU 13 2HD2 LEU 13 7.072 2.242 10.574 80 HD23 LEU 13 3HD2 LEU 13 7.628 3.875 10.943 81 H PHE 14 H PHE 14 1.785 3.227 10.030 82 HA PHE 14 HA PHE 14 0.663 2.410 12.618 83 HB2 PHE 14 1HB PHE 14 -0.063 5.050 11.370 84 HB3 PHE 14 2HB PHE 14 -0.333 4.504 13.022 85 HD1 PHE 14 2HD PHE 14 2.225 5.663 10.634 86 HD2 PHE 14 1HD PHE 14 1.300 4.814 14.701 87 HE1 PHE 14 2HE PHE 14 4.304 6.776 11.336 88 HE2 PHE 14 1HE PHE 14 3.378 5.926 15.409 89 HZ PHE 14 HZ PHE 14 4.884 6.908 13.726 90 H ASP 15 H ASP 15 -1.830 2.779 12.544 91 HA ASP 15 HA ASP 15 -2.789 1.282 10.269 92 HB2 ASP 15 1HB ASP 15 -3.853 0.502 12.147 93 HB3 ASP 15 2HB ASP 15 -3.879 2.084 12.921 94 H TYR 16 H TYR 16 -4.742 1.928 9.084 95 HA TYR 16 HA TYR 16 -5.445 4.722 9.022 96 HB2 TYR 16 1HB TYR 16 -3.500 4.940 7.677 97 HB3 TYR 16 2HB TYR 16 -3.855 3.462 6.790 98 HD1 TYR 16 1HD TYR 16 -5.937 3.452 5.295 99 HD2 TYR 16 2HD TYR 16 -4.209 7.012 6.858 100 HE1 TYR 16 1HE TYR 16 -7.084 4.764 3.559 101 HE2 TYR 16 2HE TYR 16 -5.353 8.334 5.127 102 HH TYR 16 HH TYR 16 -6.878 6.901 2.429 103 H GLN 17 H GLN 17 -7.551 4.810 8.644 104 HA GLN 17 HA GLN 17 -8.841 2.541 7.308 105 HB2 GLN 17 1HB GLN 17 -9.502 3.504 9.656 106 HB3 GLN 17 2HB GLN 17 -10.354 4.713 8.705 107 HG2 GLN 17 1HG GLN 17 -11.737 3.071 7.697 108 HG3 GLN 17 2HG GLN 17 -10.759 1.758 8.351 109 HE21 GLN 17 1HE2 GLN 17 -13.310 1.506 8.822 110 HE22 GLN 17 2HE2 GLN 17 -13.728 1.918 10.447 111 H ALA 18 H ALA 18 -9.396 2.755 5.253 112 HA ALA 18 HA ALA 18 -9.317 5.279 3.912 113 HB1 ALA 18 1HB ALA 18 -9.129 2.618 3.146 114 HB2 ALA 18 2HB ALA 18 -10.628 3.184 2.408 115 HB3 ALA 18 3HB ALA 18 -9.113 4.027 2.085 116 H ARG 19 H ARG 19 -10.928 6.649 3.441 117 HA ARG 19 HA ARG 19 -13.530 6.177 4.593 118 HB2 ARG 19 1HB ARG 19 -12.478 8.521 2.998 119 HB3 ARG 19 2HB ARG 19 -14.021 8.475 3.841 120 HG2 ARG 19 1HG ARG 19 -11.377 8.121 5.226 121 HG3 ARG 19 2HG ARG 19 -12.171 9.684 5.024 122 HD2 ARG 19 1HD ARG 19 -12.927 9.072 7.105 123 HD3 ARG 19 2HD ARG 19 -14.218 8.447 6.079 124 HE ARG 19 HE ARG 19 -12.237 6.470 6.473 125 HH11 ARG 19 2HH1 ARG 19 -14.830 8.107 8.121 126 HH12 ARG 19 1HH1 ARG 19 -15.157 6.786 9.193 127 HH21 ARG 19 2HH2 ARG 19 -12.659 4.723 7.878 128 HH22 ARG 19 1HH2 ARG 19 -13.922 4.862 9.055 129 H THR 20 H THR 20 -12.215 6.687 1.335 130 HA THR 20 HA THR 20 -14.793 5.832 0.209 131 HB THR 20 HB THR 20 -13.908 6.728 -1.951 132 HG1 THR 20 1HG THR 20 -11.940 7.556 -2.045 133 HG21 THR 20 1HG2 THR 20 -13.849 9.199 -1.034 134 HG22 THR 20 2HG2 THR 20 -14.349 8.418 0.466 135 HG23 THR 20 3HG2 THR 20 -15.334 8.251 -0.988 136 H ALA 21 H ALA 21 -14.583 4.567 -1.884 137 HA ALA 21 HA ALA 21 -13.240 2.139 -1.365 138 HB1 ALA 21 1HB ALA 21 -13.949 1.518 -3.662 139 HB2 ALA 21 2HB ALA 21 -15.261 2.143 -2.662 140 HB3 ALA 21 3HB ALA 21 -14.522 3.171 -3.890 141 H GLU 22 H GLU 22 -12.591 4.732 -3.715 142 HA GLU 22 HA GLU 22 -10.466 3.712 -5.082 143 HB2 GLU 22 1HB GLU 22 -11.193 6.466 -4.211 144 HB3 GLU 22 2HB GLU 22 -9.589 6.218 -4.885 145 HG2 GLU 22 1HG GLU 22 -10.591 5.274 -6.908 146 HG3 GLU 22 2HG GLU 22 -12.196 5.553 -6.234 147 H ASP 23 H ASP 23 -10.368 5.261 -1.895 148 HA ASP 23 HA ASP 23 -7.537 4.962 -1.608 149 HB2 ASP 23 1HB ASP 23 -9.782 5.847 0.153 150 HB3 ASP 23 2HB ASP 23 -8.252 5.400 0.903 151 H LEU 24 H LEU 24 -6.384 3.427 -0.516 152 HA LEU 24 HA LEU 24 -7.819 0.946 0.080 153 HB2 LEU 24 1HB LEU 24 -5.907 0.905 -1.492 154 HB3 LEU 24 2HB LEU 24 -4.855 1.434 -0.180 155 HG LEU 24 HG LEU 24 -5.568 -0.701 1.025 156 HD11 LEU 24 1HD1 LEU 24 -6.027 -2.396 -1.061 157 HD12 LEU 24 2HD1 LEU 24 -6.984 -0.987 -1.518 158 HD13 LEU 24 3HD1 LEU 24 -7.262 -1.776 0.035 159 HD21 LEU 24 1HD2 LEU 24 -3.546 -0.151 -0.844 160 HD22 LEU 24 2HD2 LEU 24 -4.128 -1.776 -1.209 161 HD23 LEU 24 3HD2 LEU 24 -3.550 -1.389 0.412 162 H SER 25 H SER 25 -7.681 -0.100 2.042 163 HA SER 25 HA SER 25 -6.751 1.566 4.272 164 HB2 SER 25 1HB SER 25 -8.242 0.260 5.679 165 HB3 SER 25 2HB SER 25 -9.132 0.840 4.271 166 HG SER 25 HG SER 25 -8.297 -1.756 4.915 167 H PHE 26 H PHE 26 -5.703 0.519 6.095 168 HA PHE 26 HA PHE 26 -4.633 -2.107 5.886 169 HB2 PHE 26 1HB PHE 26 -2.244 -1.458 5.664 170 HB3 PHE 26 2HB PHE 26 -3.185 -1.112 4.216 171 HD1 PHE 26 2HD PHE 26 -1.639 0.405 7.207 172 HD2 PHE 26 1HD PHE 26 -3.381 1.082 3.382 173 HE1 PHE 26 2HE PHE 26 -0.874 2.742 7.276 174 HE2 PHE 26 1HE PHE 26 -2.618 3.420 3.445 175 HZ PHE 26 HZ PHE 26 -1.364 4.253 5.394 176 H ARG 27 H ARG 27 -2.773 -2.360 7.577 177 HA ARG 27 HA ARG 27 -3.336 -0.631 9.891 178 HB2 ARG 27 1HB ARG 27 -3.078 -3.643 9.899 179 HB3 ARG 27 2HB ARG 27 -3.192 -2.640 11.339 180 HG2 ARG 27 1HG ARG 27 -5.326 -2.431 9.276 181 HG3 ARG 27 2HG ARG 27 -5.301 -3.835 10.346 182 HD2 ARG 27 1HD ARG 27 -5.591 -2.525 12.261 183 HD3 ARG 27 2HD ARG 27 -5.106 -1.047 11.432 184 HE ARG 27 HE ARG 27 -7.329 -1.701 10.103 185 HH11 ARG 27 2HH1 ARG 27 -6.650 -1.549 13.514 186 HH12 ARG 27 1HH1 ARG 27 -8.275 -1.137 13.951 187 HH21 ARG 27 2HH2 ARG 27 -9.472 -1.158 10.666 188 HH22 ARG 27 1HH2 ARG 27 -9.879 -0.916 12.331 189 H ALA 28 H ALA 28 -1.649 -1.070 11.681 190 HA ALA 28 HA ALA 28 0.890 -0.393 10.666 191 HB1 ALA 28 1HB ALA 28 1.054 0.332 12.756 192 HB2 ALA 28 2HB ALA 28 -0.359 -0.609 13.236 193 HB3 ALA 28 3HB ALA 28 1.246 -1.340 13.286 194 H GLY 29 H GLY 29 2.166 -1.734 9.565 195 HA2 GLY 29 1HA GLY 29 3.752 -3.518 9.603 196 HA3 GLY 29 2HA GLY 29 2.702 -4.385 10.714 197 H ASP 30 H ASP 30 1.498 -2.828 7.827 198 HA ASP 30 HA ASP 30 0.779 -5.473 6.780 199 HB2 ASP 30 1HB ASP 30 -0.377 -2.723 6.399 200 HB3 ASP 30 2HB ASP 30 -0.747 -4.025 5.273 201 H LYS 31 H LYS 31 2.168 -6.253 5.343 202 HA LYS 31 HA LYS 31 4.080 -4.773 3.938 203 HB2 LYS 31 1HB LYS 31 2.897 -7.479 3.290 204 HB3 LYS 31 2HB LYS 31 4.347 -6.816 2.548 205 HG2 LYS 31 1HG LYS 31 4.162 -7.097 5.518 206 HG3 LYS 31 2HG LYS 31 4.574 -8.483 4.505 207 HD2 LYS 31 1HD LYS 31 6.491 -7.338 3.619 208 HD3 LYS 31 2HD LYS 31 6.029 -5.842 4.435 209 HE2 LYS 31 1HE LYS 31 6.752 -8.418 5.826 210 HE3 LYS 31 2HE LYS 31 7.852 -7.062 5.584 211 HZ1 LYS 31 1HZ LYS 31 5.659 -7.356 7.461 212 HZ2 LYS 31 2HZ LYS 31 5.792 -5.834 6.735 213 HZ3 LYS 31 3HZ LYS 31 7.096 -6.474 7.602 214 H LEU 32 H LEU 32 3.641 -3.221 2.515 215 HA LEU 32 HA LEU 32 1.606 -3.763 0.455 216 HB2 LEU 32 1HB LEU 32 2.269 -1.127 1.758 217 HB3 LEU 32 2HB LEU 32 1.178 -1.329 0.388 218 HG LEU 32 HG LEU 32 0.672 -2.694 3.015 219 HD11 LEU 32 1HD1 LEU 32 0.831 -0.403 3.622 220 HD12 LEU 32 2HD1 LEU 32 -0.885 -0.785 3.482 221 HD13 LEU 32 3HD1 LEU 32 -0.072 0.104 2.194 222 HD21 LEU 32 1HD2 LEU 32 -0.504 -3.323 0.842 223 HD22 LEU 32 2HD2 LEU 32 -1.293 -1.749 0.949 224 HD23 LEU 32 3HD2 LEU 32 -1.525 -2.941 2.229 225 H GLN 33 H GLN 33 2.248 -3.566 -1.603 226 HA GLN 33 HA GLN 33 4.986 -2.639 -2.087 227 HB2 GLN 33 1HB GLN 33 4.457 -4.908 -2.839 228 HB3 GLN 33 2HB GLN 33 3.140 -4.287 -3.824 229 HG2 GLN 33 1HG GLN 33 4.884 -2.921 -5.048 230 HG3 GLN 33 2HG GLN 33 6.089 -3.899 -4.212 231 HE21 GLN 33 1HE2 GLN 33 5.614 -3.718 -7.041 232 HE22 GLN 33 2HE2 GLN 33 5.199 -5.305 -7.583 233 H VAL 34 H VAL 34 5.277 -0.678 -2.891 234 HA VAL 34 HA VAL 34 3.104 0.897 -3.876 235 HB VAL 34 HB VAL 34 6.072 1.461 -3.883 236 HG11 VAL 34 1HG1 VAL 34 4.914 3.887 -3.919 237 HG12 VAL 34 2HG1 VAL 34 5.434 3.035 -5.374 238 HG13 VAL 34 3HG1 VAL 34 3.743 2.978 -4.874 239 HG21 VAL 34 1HG2 VAL 34 4.698 1.145 -1.680 240 HG22 VAL 34 2HG2 VAL 34 5.828 2.490 -1.838 241 HG23 VAL 34 3HG2 VAL 34 4.100 2.760 -2.059 242 H LEU 35 H LEU 35 2.347 0.969 -5.880 243 HA LEU 35 HA LEU 35 3.958 -0.176 -8.045 244 HB2 LEU 35 1HB LEU 35 1.055 0.589 -8.177 245 HB3 LEU 35 2HB LEU 35 1.945 -0.495 -9.244 246 HG LEU 35 HG LEU 35 1.560 -1.177 -6.351 247 HD11 LEU 35 1HD1 LEU 35 -0.363 -1.933 -8.538 248 HD12 LEU 35 2HD1 LEU 35 -0.650 -0.615 -7.402 249 HD13 LEU 35 3HD1 LEU 35 -0.495 -2.269 -6.811 250 HD21 LEU 35 1HD2 LEU 35 3.164 -2.457 -7.713 251 HD22 LEU 35 2HD2 LEU 35 1.864 -2.864 -8.834 252 HD23 LEU 35 3HD2 LEU 35 1.806 -3.442 -7.168 253 H ASP 36 H ASP 36 1.762 2.586 -7.517 254 HA ASP 36 HA ASP 36 3.265 4.058 -9.576 255 HB2 ASP 36 1HB ASP 36 0.662 3.599 -9.683 256 HB3 ASP 36 2HB ASP 36 0.599 4.987 -8.600 257 H THR 37 H THR 37 4.237 5.950 -9.089 258 HA THR 37 HA THR 37 3.805 7.069 -6.400 259 HB THR 37 HB THR 37 6.231 7.603 -6.290 260 HG1 THR 37 1HG THR 37 6.591 5.740 -8.396 261 HG21 THR 37 1HG2 THR 37 6.284 5.765 -5.032 262 HG22 THR 37 2HG2 THR 37 6.660 4.822 -6.474 263 HG23 THR 37 3HG2 THR 37 4.983 5.044 -5.978 264 H SER 38 H SER 38 2.637 7.925 -8.870 265 HA SER 38 HA SER 38 4.101 10.303 -9.671 266 HB2 SER 38 1HB SER 38 1.516 9.050 -10.593 267 HB3 SER 38 2HB SER 38 2.053 10.628 -11.167 268 HG SER 38 HG SER 38 3.905 9.649 -11.997 269 H HIS 39 H HIS 39 3.505 10.449 -7.014 270 HA HIS 39 HA HIS 39 2.142 12.908 -6.828 271 HB2 HIS 39 1HB HIS 39 0.194 11.324 -7.129 272 HB3 HIS 39 2HB HIS 39 0.627 10.615 -5.576 273 HD1 HIS 39 1HD HIS 39 -1.791 12.743 -6.785 274 HD2 HIS 39 2HD HIS 39 0.920 13.106 -3.658 275 HE1 HIS 39 1HE HIS 39 -2.764 14.482 -5.251 276 HE2 HIS 39 2HE HIS 39 -1.064 14.746 -3.410 277 H GLU 40 H GLU 40 3.229 13.902 -5.275 278 HA GLU 40 HA GLU 40 4.783 12.466 -3.356 279 HB2 GLU 40 1HB GLU 40 5.019 14.917 -2.421 280 HB3 GLU 40 2HB GLU 40 5.823 14.438 -3.909 281 HG2 GLU 40 1HG GLU 40 4.342 15.610 -5.243 282 HG3 GLU 40 2HG GLU 40 3.097 15.653 -3.997 283 H GLY 41 H GLY 41 2.908 11.267 -2.452 284 HA2 GLY 41 1HA GLY 41 2.301 11.900 0.110 285 HA3 GLY 41 2HA GLY 41 1.051 12.736 -0.799 286 H TRP 42 H TRP 42 0.167 11.159 -2.653 287 HA TRP 42 HA TRP 42 -0.664 8.724 -1.225 288 HB2 TRP 42 1HB TRP 42 -2.062 10.214 -3.458 289 HB3 TRP 42 2HB TRP 42 -2.669 8.768 -2.655 290 HD1 TRP 42 HD TRP 42 -2.164 12.518 -2.091 291 HE1 TRP 42 1HE TRP 42 -3.555 13.237 -0.048 292 HE3 TRP 42 3HE TRP 42 -3.672 7.909 -0.472 293 HZ2 TRP 42 2HZ TRP 42 -5.089 12.013 1.981 294 HZ3 TRP 42 3HZ TRP 42 -5.099 7.770 1.527 295 HH2 TRP 42 HH TRP 42 -5.791 9.781 2.727 296 H TRP 43 H TRP 43 0.025 6.833 -1.963 297 HA TRP 43 HA TRP 43 0.938 6.672 -4.761 298 HB2 TRP 43 1HB TRP 43 1.974 5.206 -2.326 299 HB3 TRP 43 2HB TRP 43 2.479 4.871 -3.980 300 HD1 TRP 43 HD TRP 43 2.479 8.187 -4.611 301 HE1 TRP 43 1HE TRP 43 4.589 9.465 -3.876 302 HE3 TRP 43 3HE TRP 43 4.323 4.830 -1.225 303 HZ2 TRP 43 2HZ TRP 43 6.749 9.098 -2.097 304 HZ3 TRP 43 3HZ TRP 43 6.417 5.369 -0.050 305 HH2 TRP 43 HH TRP 43 7.603 7.460 -0.479 306 H LEU 44 H LEU 44 0.615 4.661 -5.861 307 HA LEU 44 HA LEU 44 -1.822 3.310 -4.977 308 HB2 LEU 44 1HB LEU 44 -1.790 4.227 -7.234 309 HB3 LEU 44 2HB LEU 44 -0.374 3.252 -7.621 310 HG LEU 44 HG LEU 44 -1.808 1.216 -7.227 311 HD11 LEU 44 1HD1 LEU 44 -3.554 2.880 -6.060 312 HD12 LEU 44 2HD1 LEU 44 -4.017 1.340 -6.784 313 HD13 LEU 44 3HD1 LEU 44 -4.229 2.839 -7.689 314 HD21 LEU 44 1HD2 LEU 44 -1.240 2.154 -9.466 315 HD22 LEU 44 2HD2 LEU 44 -2.762 3.044 -9.425 316 HD23 LEU 44 3HD2 LEU 44 -2.771 1.280 -9.417 317 H ALA 45 H ALA 45 -1.252 1.759 -3.537 318 HA ALA 45 HA ALA 45 0.739 -0.227 -4.423 319 HB1 ALA 45 1HB ALA 45 1.098 1.206 -2.266 320 HB2 ALA 45 2HB ALA 45 -0.026 0.048 -1.553 321 HB3 ALA 45 3HB ALA 45 1.485 -0.515 -2.268 322 H ARG 46 H ARG 46 0.344 -2.452 -3.603 323 HA ARG 46 HA ARG 46 -2.542 -3.035 -3.467 324 HB2 ARG 46 1HB ARG 46 -2.180 -5.034 -4.763 325 HB3 ARG 46 2HB ARG 46 -1.510 -3.665 -5.639 326 HG2 ARG 46 1HG ARG 46 0.735 -4.280 -4.790 327 HG3 ARG 46 2HG ARG 46 0.018 -5.715 -4.053 328 HD2 ARG 46 1HD ARG 46 -0.751 -6.436 -6.285 329 HD3 ARG 46 2HD ARG 46 0.050 -5.033 -6.991 330 HE ARG 46 HE ARG 46 1.958 -6.412 -5.518 331 HH11 ARG 46 2HH1 ARG 46 -0.060 -6.949 -8.304 332 HH12 ARG 46 1HH1 ARG 46 1.055 -8.036 -9.064 333 HH21 ARG 46 2HH2 ARG 46 3.433 -7.842 -6.508 334 HH22 ARG 46 1HH2 ARG 46 3.041 -8.544 -8.041 335 H HIS 47 H HIS 47 -3.145 -4.951 -2.297 336 HA HIS 47 HA HIS 47 -1.702 -5.243 0.141 337 HB2 HIS 47 1HB HIS 47 -4.200 -6.378 -1.018 338 HB3 HIS 47 2HB HIS 47 -3.455 -7.245 0.322 339 HD1 HIS 47 1HD HIS 47 -3.023 -5.678 2.527 340 HD2 HIS 47 2HD HIS 47 -5.808 -4.335 -0.248 341 HE1 HIS 47 1HE HIS 47 -4.417 -3.975 3.743 342 HE2 HIS 47 2HE HIS 47 -6.149 -3.239 2.070 343 H LEU 48 H LEU 48 -0.096 -6.587 0.612 344 HA LEU 48 HA LEU 48 0.563 -8.708 -1.298 345 HB2 LEU 48 1HB LEU 48 2.234 -7.690 0.990 346 HB3 LEU 48 2HB LEU 48 2.760 -8.701 -0.356 347 HG LEU 48 HG LEU 48 1.821 -5.852 -0.662 348 HD11 LEU 48 1HD1 LEU 48 3.843 -5.975 0.731 349 HD12 LEU 48 2HD1 LEU 48 4.152 -5.230 -0.837 350 HD13 LEU 48 3HD1 LEU 48 4.646 -6.897 -0.540 351 HD21 LEU 48 1HD2 LEU 48 2.235 -6.058 -2.866 352 HD22 LEU 48 2HD2 LEU 48 1.969 -7.773 -2.552 353 HD23 LEU 48 3HD2 LEU 48 3.612 -7.133 -2.617 354 H GLU 49 H GLU 49 -0.026 -8.163 2.145 355 HA GLU 49 HA GLU 49 0.525 -10.672 3.156 356 HB2 GLU 49 1HB GLU 49 -1.504 -8.594 3.927 357 HB3 GLU 49 2HB GLU 49 -1.394 -10.115 4.801 358 HG2 GLU 49 1HG GLU 49 1.063 -8.480 4.396 359 HG3 GLU 49 2HG GLU 49 -0.103 -8.013 5.633 360 H LYS 50 H LYS 50 -0.585 -12.583 3.374 361 HA LYS 50 HA LYS 50 -2.121 -13.544 1.334 362 HB2 LYS 50 1HB LYS 50 -2.957 -15.259 3.023 363 HB3 LYS 50 2HB LYS 50 -1.214 -15.114 2.844 364 HG2 LYS 50 1HG LYS 50 -1.363 -15.156 5.110 365 HG3 LYS 50 2HG LYS 50 -1.500 -13.416 4.844 366 HD2 LYS 50 1HD LYS 50 -3.242 -13.865 6.318 367 HD3 LYS 50 2HD LYS 50 -4.042 -13.860 4.745 368 HE2 LYS 50 1HE LYS 50 -3.431 -16.439 4.851 369 HE3 LYS 50 2HE LYS 50 -3.462 -16.121 6.585 370 HZ1 LYS 50 1HZ LYS 50 -5.713 -15.108 6.190 371 HZ2 LYS 50 2HZ LYS 50 -5.624 -16.785 5.992 372 HZ3 LYS 50 3HZ LYS 50 -5.665 -15.775 4.636 373 H LYS 51 H LYS 51 -4.353 -14.015 1.067 374 HA LYS 51 HA LYS 51 -6.145 -12.044 1.189 375 HB2 LYS 51 1HB LYS 51 -6.461 -14.998 1.371 376 HB3 LYS 51 2HB LYS 51 -7.884 -14.010 1.678 377 HG2 LYS 51 1HG LYS 51 -6.194 -13.765 -0.798 378 HG3 LYS 51 2HG LYS 51 -7.622 -14.796 -0.679 379 HD2 LYS 51 1HD LYS 51 -7.686 -11.849 -0.071 380 HD3 LYS 51 2HD LYS 51 -7.972 -12.496 -1.688 381 HE2 LYS 51 1HE LYS 51 -10.121 -12.397 -0.916 382 HE3 LYS 51 2HE LYS 51 -9.688 -14.027 -0.402 383 HZ1 LYS 51 1HZ LYS 51 -9.993 -13.461 1.704 384 HZ2 LYS 51 2HZ LYS 51 -10.596 -11.966 1.190 385 HZ3 LYS 51 3HZ LYS 51 -8.956 -12.130 1.573 386 H GLY 52 H GLY 52 -7.377 -10.965 2.630 387 HA2 GLY 52 1HA GLY 52 -6.785 -11.198 5.405 388 HA3 GLY 52 2HA GLY 52 -8.000 -10.149 4.689 389 H THR 53 H THR 53 -9.354 -10.657 6.498 390 HA THR 53 HA THR 53 -10.437 -13.389 6.503 391 HB THR 53 HB THR 53 -11.444 -12.810 8.679 392 HG1 THR 53 1HG THR 53 -9.934 -10.406 8.576 393 HG21 THR 53 1HG2 THR 53 -8.593 -12.006 8.973 394 HG22 THR 53 2HG2 THR 53 -8.946 -13.581 8.263 395 HG23 THR 53 3HG2 THR 53 -9.531 -13.191 9.881 396 H GLY 54 H GLY 54 -12.246 -13.701 5.391 397 HA2 GLY 54 1HA GLY 54 -14.614 -13.283 5.190 398 HA3 GLY 54 2HA GLY 54 -14.283 -11.571 5.409 399 H LEU 55 H LEU 55 -15.383 -10.993 3.526 400 HA LEU 55 HA LEU 55 -14.297 -12.000 0.996 401 HB2 LEU 55 1HB LEU 55 -16.840 -10.641 1.780 402 HB3 LEU 55 2HB LEU 55 -16.289 -10.573 0.107 403 HG LEU 55 HG LEU 55 -16.182 -13.179 0.352 404 HD11 LEU 55 1HD1 LEU 55 -16.848 -12.777 2.871 405 HD12 LEU 55 2HD1 LEU 55 -17.440 -14.175 1.974 406 HD13 LEU 55 3HD1 LEU 55 -18.477 -12.766 2.194 407 HD21 LEU 55 1HD2 LEU 55 -18.991 -12.447 0.214 408 HD22 LEU 55 2HD2 LEU 55 -17.934 -13.124 -1.026 409 HD23 LEU 55 3HD2 LEU 55 -17.964 -11.382 -0.746 410 H GLY 56 H GLY 56 -12.428 -10.862 0.682 411 HA2 GLY 56 1HA GLY 56 -12.018 -8.152 1.262 412 HA3 GLY 56 2HA GLY 56 -11.091 -9.091 0.101 413 H GLN 57 H GLN 57 -12.631 -6.322 0.319 414 HA GLN 57 HA GLN 57 -14.187 -6.464 -2.133 415 HB2 GLN 57 1HB GLN 57 -13.803 -4.455 0.033 416 HB3 GLN 57 2HB GLN 57 -14.287 -3.869 -1.553 417 HG2 GLN 57 1HG GLN 57 -15.764 -6.062 -0.136 418 HG3 GLN 57 2HG GLN 57 -16.131 -4.356 0.113 419 HE21 GLN 57 1HE2 GLN 57 -18.246 -5.186 -0.695 420 HE22 GLN 57 2HE2 GLN 57 -18.512 -5.157 -2.402 421 H GLN 58 H GLN 58 -11.414 -4.581 -0.919 422 HA GLN 58 HA GLN 58 -10.511 -4.308 -3.710 423 HB2 GLN 58 1HB GLN 58 -11.358 -2.173 -2.728 424 HB3 GLN 58 2HB GLN 58 -10.100 -2.284 -1.504 425 HG2 GLN 58 1HG GLN 58 -9.229 -0.823 -3.083 426 HG3 GLN 58 2HG GLN 58 -8.457 -2.363 -3.456 427 HE21 GLN 58 1HE2 GLN 58 -8.058 -1.479 -5.555 428 HE22 GLN 58 2HE2 GLN 58 -9.304 -1.489 -6.752 429 H LEU 59 H LEU 59 -8.224 -4.225 -4.038 430 HA LEU 59 HA LEU 59 -6.692 -5.462 -1.845 431 HB2 LEU 59 1HB LEU 59 -5.295 -6.467 -3.673 432 HB3 LEU 59 2HB LEU 59 -6.937 -7.092 -3.531 433 HG LEU 59 HG LEU 59 -7.380 -5.260 -5.408 434 HD11 LEU 59 1HD1 LEU 59 -4.707 -6.141 -6.334 435 HD12 LEU 59 2HD1 LEU 59 -4.772 -4.813 -5.176 436 HD13 LEU 59 3HD1 LEU 59 -5.619 -4.681 -6.718 437 HD21 LEU 59 1HD2 LEU 59 -6.068 -7.806 -6.267 438 HD22 LEU 59 2HD2 LEU 59 -7.497 -7.006 -6.922 439 HD23 LEU 59 3HD2 LEU 59 -7.588 -7.846 -5.373 440 H GLN 60 H GLN 60 -6.718 -3.102 -4.428 441 HA GLN 60 HA GLN 60 -4.267 -1.932 -3.299 442 HB2 GLN 60 1HB GLN 60 -3.523 -1.294 -5.516 443 HB3 GLN 60 2HB GLN 60 -3.775 -3.033 -5.456 444 HG2 GLN 60 1HG GLN 60 -4.777 -2.584 -7.437 445 HG3 GLN 60 2HG GLN 60 -6.159 -2.365 -6.365 446 HE21 GLN 60 1HE2 GLN 60 -4.234 -0.971 -8.737 447 HE22 GLN 60 2HE2 GLN 60 -4.835 0.646 -8.636 448 H GLY 61 H GLY 61 -4.018 0.419 -4.024 449 HA2 GLY 61 1HA GLY 61 -5.992 2.053 -4.967 450 HA3 GLY 61 2HA GLY 61 -6.424 1.803 -3.282 451 H TYR 62 H TYR 62 -6.101 4.249 -3.485 452 HA TYR 62 HA TYR 62 -3.358 5.147 -3.489 453 HB2 TYR 62 1HB TYR 62 -5.976 6.569 -2.994 454 HB3 TYR 62 2HB TYR 62 -4.413 7.374 -2.926 455 HD1 TYR 62 2HD TYR 62 -2.915 6.547 -5.147 456 HD2 TYR 62 1HD TYR 62 -7.131 7.067 -4.919 457 HE1 TYR 62 2HE TYR 62 -2.995 6.915 -7.577 458 HE2 TYR 62 1HE TYR 62 -7.223 7.435 -7.349 459 HH TYR 62 HH TYR 62 -5.834 6.835 -9.355 460 H ILE 63 H ILE 63 -2.067 5.124 -1.784 461 HA ILE 63 HA ILE 63 -3.257 5.349 0.899 462 HB ILE 63 HB ILE 63 -1.585 3.787 1.771 463 HG12 ILE 63 1HG1 ILE 63 -0.894 3.113 -1.087 464 HG13 ILE 63 2HG1 ILE 63 0.047 4.260 -0.139 465 HG21 ILE 63 1HG2 ILE 63 -2.715 1.852 1.192 466 HG22 ILE 63 2HG2 ILE 63 -3.884 3.109 0.791 467 HG23 ILE 63 3HG2 ILE 63 -2.928 2.355 -0.484 468 HD11 ILE 63 1HD1 ILE 63 1.227 2.321 0.167 469 HD12 ILE 63 2HD1 ILE 63 0.165 2.302 1.576 470 HD13 ILE 63 3HD1 ILE 63 -0.219 1.312 0.168 471 HA PRO 64 HA PRO 64 -0.371 8.615 1.514 472 HB2 PRO 64 1HB PRO 64 -0.271 8.601 4.227 473 HB3 PRO 64 2HB PRO 64 -1.660 9.212 3.320 474 HG2 PRO 64 1HG PRO 64 -1.281 6.550 4.637 475 HG3 PRO 64 2HG PRO 64 -2.708 7.602 4.630 476 HD2 PRO 64 1HD PRO 64 -2.484 5.440 3.015 477 HD3 PRO 64 2HD PRO 64 -3.370 6.902 2.536 478 H SER 65 H SER 65 1.767 8.602 1.277 479 HA SER 65 HA SER 65 3.360 6.331 1.845 480 HB2 SER 65 1HB SER 65 5.271 7.827 1.220 481 HB3 SER 65 2HB SER 65 3.976 7.794 0.024 482 HG SER 65 HG SER 65 3.777 9.856 0.296 483 H ASN 66 H ASN 66 3.120 9.526 3.380 484 HA ASN 66 HA ASN 66 5.080 9.364 5.275 485 HB2 ASN 66 1HB ASN 66 3.574 11.317 4.914 486 HB3 ASN 66 2HB ASN 66 2.300 10.452 5.769 487 HD21 ASN 66 1HD2 ASN 66 2.125 10.830 7.853 488 HD22 ASN 66 2HD2 ASN 66 3.358 11.476 8.877 489 H TYR 67 H TYR 67 1.923 7.812 5.322 490 HA TYR 67 HA TYR 67 1.995 6.905 7.990 491 HB2 TYR 67 1HB TYR 67 0.466 6.129 5.539 492 HB3 TYR 67 2HB TYR 67 0.396 5.086 6.954 493 HD1 TYR 67 1HD TYR 67 0.145 8.740 6.181 494 HD2 TYR 67 2HD TYR 67 -1.373 5.432 8.384 495 HE1 TYR 67 1HE TYR 67 -1.586 10.191 7.156 496 HE2 TYR 67 2HE TYR 67 -3.108 6.873 9.364 497 HH TYR 67 HH TYR 67 -4.284 9.156 8.546 498 H VAL 68 H VAL 68 3.300 5.620 5.005 499 HA VAL 68 HA VAL 68 4.344 3.293 6.478 500 HB VAL 68 HB VAL 68 4.658 2.202 4.318 501 HG11 VAL 68 1HG1 VAL 68 2.618 1.442 4.789 502 HG12 VAL 68 2HG1 VAL 68 2.094 3.015 5.393 503 HG13 VAL 68 3HG1 VAL 68 2.001 2.656 3.668 504 HG21 VAL 68 1HG2 VAL 68 3.668 4.825 3.247 505 HG22 VAL 68 2HG2 VAL 68 5.123 3.930 2.808 506 HG23 VAL 68 3HG2 VAL 68 3.538 3.336 2.311 507 H ALA 69 H ALA 69 6.456 2.486 5.206 508 HA ALA 69 HA ALA 69 8.206 4.682 4.479 509 HB1 ALA 69 1HB ALA 69 9.425 4.822 6.340 510 HB2 ALA 69 2HB ALA 69 8.111 3.953 7.135 511 HB3 ALA 69 3HB ALA 69 9.506 3.069 6.517 512 H GLU 70 H GLU 70 10.600 3.593 4.383 513 HA GLU 70 HA GLU 70 10.278 1.446 2.454 514 HB2 GLU 70 1HB GLU 70 12.468 3.338 3.187 515 HB3 GLU 70 2HB GLU 70 12.895 1.833 2.385 516 HG2 GLU 70 1HG GLU 70 11.110 2.496 0.657 517 HG3 GLU 70 2HG GLU 70 11.246 4.106 1.360 518 H ASP 71 H ASP 71 10.041 -0.510 3.358 519 HA ASP 71 HA ASP 71 11.653 -1.248 5.678 520 HB2 ASP 71 1HB ASP 71 9.089 -1.747 5.256 521 HB3 ASP 71 2HB ASP 71 9.732 -3.137 4.385 522 H SER 72 H SER 72 13.576 -2.132 5.371 523 HA SER 72 HA SER 72 14.777 -2.853 3.047 524 HB2 SER 72 1HB SER 72 16.293 -4.287 4.392 525 HB3 SER 72 2HB SER 72 16.001 -2.723 5.151 526 HG SER 72 HG SER 72 15.662 -4.091 6.779 527 H GLY 73 H GLY 73 14.835 -4.564 1.681 528 HA2 GLY 73 1HA GLY 73 13.566 -7.076 2.429 529 HA3 GLY 73 2HA GLY 73 12.794 -6.184 1.126 530 HA PRO 74 HA PRO 74 16.673 -8.719 -0.209 531 HB2 PRO 74 1HB PRO 74 15.582 -11.155 -0.708 532 HB3 PRO 74 2HB PRO 74 16.302 -10.725 0.848 533 HG2 PRO 74 1HG PRO 74 13.419 -10.767 0.042 534 HG3 PRO 74 2HG PRO 74 14.170 -11.338 1.544 535 HD2 PRO 74 1HD PRO 74 12.896 -8.955 1.366 536 HD3 PRO 74 2HD PRO 74 14.285 -9.218 2.441 537 H SER 75 H SER 75 16.704 -7.605 -2.116 538 HA SER 75 HA SER 75 14.603 -7.608 -4.014 539 HB2 SER 75 1HB SER 75 16.265 -6.566 -5.529 540 HB3 SER 75 2HB SER 75 16.241 -5.799 -3.941 541 HG SER 75 HG SER 75 18.312 -6.826 -5.179 542 H SER 76 H SER 76 17.727 -9.307 -3.926 543 HA SER 76 HA SER 76 17.045 -10.860 -6.271 544 HB2 SER 76 1HB SER 76 19.434 -11.032 -4.419 545 HB3 SER 76 2HB SER 76 19.260 -11.904 -5.942 546 HG SER 76 HG SER 76 19.143 -9.080 -5.744 547 H GLY 77 H GLY 77 16.724 -13.096 -6.333 548 HA2 GLY 77 1HA GLY 77 16.182 -14.369 -3.724 549 HA3 GLY 77 2HA GLY 77 15.040 -14.493 -5.055 Start of MODEL 2 1 H1 GLY 1 H GLY 1 14.622 -13.839 -10.151 2 HA2 GLY 1 1HA GLY 1 16.935 -14.094 -9.586 3 HA3 GLY 1 2HA GLY 1 17.354 -13.253 -11.071 4 H SER 2 H SER 2 18.240 -11.350 -10.670 5 HA SER 2 HA SER 2 17.163 -9.748 -8.442 6 HB2 SER 2 1HB SER 2 20.011 -10.048 -9.400 7 HB3 SER 2 2HB SER 2 19.496 -8.730 -8.348 8 HG SER 2 HG SER 2 18.653 -10.500 -6.961 9 H SER 3 H SER 3 19.031 -9.438 -11.465 10 HA SER 3 HA SER 3 18.292 -6.706 -11.839 11 HB2 SER 3 1HB SER 3 19.462 -8.672 -13.822 12 HB3 SER 3 2HB SER 3 19.397 -6.921 -14.020 13 HG SER 3 HG SER 3 21.129 -8.459 -12.557 14 H GLY 4 H GLY 4 16.931 -5.823 -13.447 15 HA2 GLY 4 1HA GLY 4 15.441 -6.440 -15.388 16 HA3 GLY 4 2HA GLY 4 14.804 -7.679 -14.317 17 H SER 5 H SER 5 12.744 -7.046 -14.023 18 HA SER 5 HA SER 5 11.726 -4.488 -13.968 19 HB2 SER 5 1HB SER 5 10.560 -6.854 -13.849 20 HB3 SER 5 2HB SER 5 10.555 -6.527 -12.116 21 HG SER 5 HG SER 5 9.091 -5.026 -12.396 22 H SER 6 H SER 6 10.835 -3.263 -12.121 23 HA SER 6 HA SER 6 12.794 -3.191 -9.937 24 HB2 SER 6 1HB SER 6 10.954 -1.115 -11.112 25 HB3 SER 6 2HB SER 6 11.723 -0.883 -9.542 26 HG SER 6 HG SER 6 13.647 -0.724 -10.484 27 H GLY 7 H GLY 7 11.935 -2.502 -7.778 28 HA2 GLY 7 1HA GLY 7 9.166 -3.097 -7.210 29 HA3 GLY 7 2HA GLY 7 10.288 -4.319 -6.629 30 H GLN 8 H GLN 8 8.487 -2.125 -5.390 31 HA GLN 8 HA GLN 8 10.517 -1.213 -3.469 32 HB2 GLN 8 1HB GLN 8 8.469 0.390 -4.928 33 HB3 GLN 8 2HB GLN 8 8.839 0.830 -3.266 34 HG2 GLN 8 1HG GLN 8 11.077 1.313 -3.777 35 HG3 GLN 8 2HG GLN 8 10.980 0.499 -5.338 36 HE21 GLN 8 1HE2 GLN 8 10.665 1.721 -7.057 37 HE22 GLN 8 2HE2 GLN 8 10.076 3.345 -7.053 38 H TYR 9 H TYR 9 10.096 -2.170 -1.599 39 HA TYR 9 HA TYR 9 7.305 -2.741 -0.884 40 HB2 TYR 9 1HB TYR 9 9.737 -3.841 0.512 41 HB3 TYR 9 2HB TYR 9 8.094 -4.471 0.523 42 HD1 TYR 9 2HD TYR 9 7.221 -4.954 -2.027 43 HD2 TYR 9 1HD TYR 9 11.254 -5.091 -0.679 44 HE1 TYR 9 2HE TYR 9 7.784 -6.466 -3.883 45 HE2 TYR 9 1HE TYR 9 11.829 -6.602 -2.532 46 HH TYR 9 HH TYR 9 10.333 -8.349 -4.013 47 H PHE 10 H PHE 10 6.338 -1.587 0.642 48 HA PHE 10 HA PHE 10 8.019 -0.042 2.506 49 HB2 PHE 10 1HB PHE 10 5.494 0.686 1.059 50 HB3 PHE 10 2HB PHE 10 5.885 1.460 2.591 51 HD1 PHE 10 1HD PHE 10 7.409 0.706 -0.724 52 HD2 PHE 10 2HD PHE 10 7.153 3.380 2.578 53 HE1 PHE 10 1HE PHE 10 8.862 2.301 -1.907 54 HE2 PHE 10 2HE PHE 10 8.605 4.979 1.400 55 HZ PHE 10 HZ PHE 10 9.461 4.441 -0.845 56 H VAL 11 H VAL 11 7.100 0.361 4.624 57 HA VAL 11 HA VAL 11 5.264 -1.787 5.465 58 HB VAL 11 HB VAL 11 7.487 -2.122 6.389 59 HG11 VAL 11 1HG1 VAL 11 7.460 0.239 8.124 60 HG12 VAL 11 2HG1 VAL 11 8.794 -0.509 7.243 61 HG13 VAL 11 3HG1 VAL 11 7.695 0.595 6.413 62 HG21 VAL 11 1HG2 VAL 11 6.877 -2.449 8.635 63 HG22 VAL 11 2HG2 VAL 11 5.775 -1.073 8.625 64 HG23 VAL 11 3HG2 VAL 11 5.362 -2.538 7.736 65 H ALA 12 H ALA 12 3.637 -1.313 6.929 66 HA ALA 12 HA ALA 12 2.829 1.476 6.995 67 HB1 ALA 12 1HB ALA 12 1.340 -0.900 8.092 68 HB2 ALA 12 2HB ALA 12 0.691 0.693 7.699 69 HB3 ALA 12 3HB ALA 12 1.248 -0.375 6.411 70 H LEU 13 H LEU 13 3.532 2.734 8.585 71 HA LEU 13 HA LEU 13 4.554 1.708 11.044 72 HB2 LEU 13 1HB LEU 13 3.847 4.548 10.322 73 HB3 LEU 13 2HB LEU 13 4.867 4.033 11.664 74 HG LEU 13 HG LEU 13 5.645 3.352 8.858 75 HD11 LEU 13 1HD1 LEU 13 7.035 5.670 9.577 76 HD12 LEU 13 2HD1 LEU 13 5.333 6.017 9.883 77 HD13 LEU 13 3HD1 LEU 13 5.851 5.484 8.283 78 HD21 LEU 13 1HD2 LEU 13 6.910 2.324 10.624 79 HD22 LEU 13 2HD2 LEU 13 7.143 3.880 11.422 80 HD23 LEU 13 3HD2 LEU 13 7.905 3.565 9.862 81 H PHE 14 H PHE 14 1.473 2.890 9.971 82 HA PHE 14 HA PHE 14 0.334 2.217 12.570 83 HB2 PHE 14 1HB PHE 14 -0.441 4.806 11.239 84 HB3 PHE 14 2HB PHE 14 -0.811 4.266 12.874 85 HD1 PHE 14 2HD PHE 14 1.908 5.440 10.665 86 HD2 PHE 14 1HD PHE 14 0.643 4.718 14.664 87 HE1 PHE 14 2HE PHE 14 3.885 6.640 11.503 88 HE2 PHE 14 1HE PHE 14 2.618 5.918 15.509 89 HZ PHE 14 HZ PHE 14 4.243 6.880 13.928 90 H ASP 15 H ASP 15 -2.128 2.300 12.448 91 HA ASP 15 HA ASP 15 -2.925 0.884 10.046 92 HB2 ASP 15 1HB ASP 15 -5.069 0.538 11.304 93 HB3 ASP 15 2HB ASP 15 -3.639 -0.083 12.124 94 H TYR 16 H TYR 16 -4.531 1.509 8.625 95 HA TYR 16 HA TYR 16 -5.609 4.224 8.939 96 HB2 TYR 16 1HB TYR 16 -3.871 4.629 7.418 97 HB3 TYR 16 2HB TYR 16 -4.115 3.096 6.588 98 HD1 TYR 16 1HD TYR 16 -5.893 2.844 4.935 99 HD2 TYR 16 2HD TYR 16 -5.232 6.562 6.896 100 HE1 TYR 16 1HE TYR 16 -7.281 3.973 3.248 101 HE2 TYR 16 2HE TYR 16 -6.619 7.701 5.215 102 HH TYR 16 HH TYR 16 -8.733 6.488 3.445 103 H GLN 17 H GLN 17 -7.629 4.588 8.012 104 HA GLN 17 HA GLN 17 -9.028 2.162 7.094 105 HB2 GLN 17 1HB GLN 17 -9.847 2.819 9.271 106 HB3 GLN 17 2HB GLN 17 -10.075 4.477 8.730 107 HG2 GLN 17 1HG GLN 17 -11.800 3.719 7.164 108 HG3 GLN 17 2HG GLN 17 -11.584 2.067 7.742 109 HE21 GLN 17 1HE2 GLN 17 -11.580 2.099 10.319 110 HE22 GLN 17 2HE2 GLN 17 -12.978 2.857 10.994 111 H ALA 18 H ALA 18 -9.701 2.234 5.063 112 HA ALA 18 HA ALA 18 -9.438 4.474 3.400 113 HB1 ALA 18 1HB ALA 18 -9.804 1.838 2.964 114 HB2 ALA 18 2HB ALA 18 -11.411 2.452 2.573 115 HB3 ALA 18 3HB ALA 18 -9.997 3.077 1.724 116 H ARG 19 H ARG 19 -10.637 6.243 3.240 117 HA ARG 19 HA ARG 19 -13.170 6.442 4.588 118 HB2 ARG 19 1HB ARG 19 -11.481 8.365 3.007 119 HB3 ARG 19 2HB ARG 19 -13.103 8.793 3.534 120 HG2 ARG 19 1HG ARG 19 -11.086 7.787 5.498 121 HG3 ARG 19 2HG ARG 19 -11.085 9.475 4.984 122 HD2 ARG 19 1HD ARG 19 -13.411 9.695 5.703 123 HD3 ARG 19 2HD ARG 19 -13.419 8.005 6.203 124 HE ARG 19 HE ARG 19 -11.325 9.394 7.494 125 HH11 ARG 19 2HH1 ARG 19 -14.789 9.049 7.508 126 HH12 ARG 19 1HH1 ARG 19 -14.953 9.459 9.183 127 HH21 ARG 19 2HH2 ARG 19 -11.528 9.935 9.700 128 HH22 ARG 19 1HH2 ARG 19 -13.098 9.964 10.429 129 H THR 20 H THR 20 -12.072 6.637 1.214 130 HA THR 20 HA THR 20 -14.870 6.261 0.367 131 HB THR 20 HB THR 20 -14.174 7.242 -1.816 132 HG1 THR 20 1HG THR 20 -12.152 7.877 -2.128 133 HG21 THR 20 1HG2 THR 20 -14.745 8.542 0.588 134 HG22 THR 20 2HG2 THR 20 -14.890 9.208 -1.039 135 HG23 THR 20 3HG2 THR 20 -13.406 9.448 -0.116 136 H ALA 21 H ALA 21 -14.766 5.373 -2.079 137 HA ALA 21 HA ALA 21 -13.511 2.758 -1.826 138 HB1 ALA 21 1HB ALA 21 -15.573 3.885 -3.698 139 HB2 ALA 21 2HB ALA 21 -14.840 2.300 -3.945 140 HB3 ALA 21 3HB ALA 21 -15.765 2.625 -2.479 141 H GLU 22 H GLU 22 -11.772 4.991 -2.278 142 HA GLU 22 HA GLU 22 -10.722 4.273 -4.936 143 HB2 GLU 22 1HB GLU 22 -10.949 6.952 -3.610 144 HB3 GLU 22 2HB GLU 22 -9.666 6.656 -4.774 145 HG2 GLU 22 1HG GLU 22 -12.523 6.080 -5.448 146 HG3 GLU 22 2HG GLU 22 -11.857 7.705 -5.594 147 H ASP 23 H ASP 23 -10.067 4.981 -1.584 148 HA ASP 23 HA ASP 23 -7.206 4.494 -1.965 149 HB2 ASP 23 1HB ASP 23 -8.776 5.453 0.435 150 HB3 ASP 23 2HB ASP 23 -7.039 5.163 0.443 151 H LEU 24 H LEU 24 -6.085 2.936 -0.684 152 HA LEU 24 HA LEU 24 -7.720 0.575 -0.140 153 HB2 LEU 24 1HB LEU 24 -5.756 0.409 -1.642 154 HB3 LEU 24 2HB LEU 24 -4.721 0.839 -0.282 155 HG LEU 24 HG LEU 24 -5.880 -1.286 0.798 156 HD11 LEU 24 1HD1 LEU 24 -5.766 -2.867 -1.433 157 HD12 LEU 24 2HD1 LEU 24 -6.583 -1.423 -2.030 158 HD13 LEU 24 3HD1 LEU 24 -7.243 -2.301 -0.651 159 HD21 LEU 24 1HD2 LEU 24 -3.803 -2.074 0.688 160 HD22 LEU 24 2HD2 LEU 24 -3.416 -0.693 -0.340 161 HD23 LEU 24 3HD2 LEU 24 -3.883 -2.231 -1.067 162 H SER 25 H SER 25 -7.612 -0.572 1.802 163 HA SER 25 HA SER 25 -6.814 1.061 4.099 164 HB2 SER 25 1HB SER 25 -8.203 -0.579 5.403 165 HB3 SER 25 2HB SER 25 -9.104 0.323 4.184 166 HG SER 25 HG SER 25 -9.456 -1.465 3.119 167 H PHE 26 H PHE 26 -5.713 0.086 5.899 168 HA PHE 26 HA PHE 26 -4.498 -2.488 5.667 169 HB2 PHE 26 1HB PHE 26 -2.137 -1.610 5.628 170 HB3 PHE 26 2HB PHE 26 -3.018 -1.426 4.115 171 HD1 PHE 26 1HD PHE 26 -3.969 0.817 3.528 172 HD2 PHE 26 2HD PHE 26 -1.261 0.248 6.762 173 HE1 PHE 26 1HE PHE 26 -3.469 3.226 3.529 174 HE2 PHE 26 2HE PHE 26 -0.757 2.656 6.769 175 HZ PHE 26 HZ PHE 26 -1.862 4.149 5.152 176 H ARG 27 H ARG 27 -2.696 -2.684 7.426 177 HA ARG 27 HA ARG 27 -3.484 -1.093 9.775 178 HB2 ARG 27 1HB ARG 27 -3.020 -4.075 9.627 179 HB3 ARG 27 2HB ARG 27 -3.148 -3.177 11.134 180 HG2 ARG 27 1HG ARG 27 -5.420 -2.377 10.043 181 HG3 ARG 27 2HG ARG 27 -5.245 -3.898 9.167 182 HD2 ARG 27 1HD ARG 27 -5.078 -3.661 12.165 183 HD3 ARG 27 2HD ARG 27 -6.564 -4.042 11.295 184 HE ARG 27 HE ARG 27 -4.637 -5.851 10.448 185 HH11 ARG 27 2HH1 ARG 27 -6.286 -5.009 13.397 186 HH12 ARG 27 1HH1 ARG 27 -6.193 -6.608 14.059 187 HH21 ARG 27 2HH2 ARG 27 -4.509 -7.959 11.309 188 HH22 ARG 27 1HH2 ARG 27 -5.181 -8.285 12.870 189 H ALA 28 H ALA 28 -1.845 -1.324 11.588 190 HA ALA 28 HA ALA 28 0.674 -0.464 10.681 191 HB1 ALA 28 1HB ALA 28 0.500 -1.567 13.417 192 HB2 ALA 28 2HB ALA 28 1.125 -0.016 12.853 193 HB3 ALA 28 3HB ALA 28 -0.614 -0.259 13.019 194 H GLY 29 H GLY 29 2.160 -1.673 9.707 195 HA2 GLY 29 1HA GLY 29 3.856 -3.327 9.784 196 HA3 GLY 29 2HA GLY 29 2.864 -4.257 10.897 197 H ASP 30 H ASP 30 1.634 -2.880 7.922 198 HA ASP 30 HA ASP 30 1.176 -5.609 6.934 199 HB2 ASP 30 1HB ASP 30 -0.284 -3.020 6.613 200 HB3 ASP 30 2HB ASP 30 -0.411 -4.227 5.337 201 H LYS 31 H LYS 31 2.372 -6.322 5.310 202 HA LYS 31 HA LYS 31 4.274 -4.695 3.982 203 HB2 LYS 31 1HB LYS 31 3.276 -7.481 3.366 204 HB3 LYS 31 2HB LYS 31 4.642 -6.720 2.561 205 HG2 LYS 31 1HG LYS 31 4.552 -7.055 5.539 206 HG3 LYS 31 2HG LYS 31 5.140 -8.330 4.469 207 HD2 LYS 31 1HD LYS 31 6.907 -6.966 3.669 208 HD3 LYS 31 2HD LYS 31 6.214 -5.518 4.403 209 HE2 LYS 31 1HE LYS 31 7.880 -6.034 5.904 210 HE3 LYS 31 2HE LYS 31 6.499 -6.858 6.625 211 HZ1 LYS 31 1HZ LYS 31 7.438 -8.775 5.046 212 HZ2 LYS 31 2HZ LYS 31 7.929 -8.577 6.652 213 HZ3 LYS 31 3HZ LYS 31 8.884 -7.969 5.396 214 H LEU 32 H LEU 32 3.924 -3.309 2.388 215 HA LEU 32 HA LEU 32 1.868 -3.939 0.385 216 HB2 LEU 32 1HB LEU 32 2.333 -1.244 1.655 217 HB3 LEU 32 2HB LEU 32 1.240 -1.563 0.309 218 HG LEU 32 HG LEU 32 0.868 -2.958 2.935 219 HD11 LEU 32 1HD1 LEU 32 -0.890 -0.748 2.763 220 HD12 LEU 32 2HD1 LEU 32 0.753 -0.142 2.559 221 HD13 LEU 32 3HD1 LEU 32 0.334 -1.086 3.988 222 HD21 LEU 32 1HD2 LEU 32 -0.631 -3.901 1.527 223 HD22 LEU 32 2HD2 LEU 32 -0.660 -2.509 0.445 224 HD23 LEU 32 3HD2 LEU 32 -1.576 -2.474 1.952 225 H GLN 33 H GLN 33 2.484 -3.644 -1.677 226 HA GLN 33 HA GLN 33 5.180 -2.596 -2.135 227 HB2 GLN 33 1HB GLN 33 4.707 -4.861 -2.957 228 HB3 GLN 33 2HB GLN 33 3.391 -4.233 -3.939 229 HG2 GLN 33 1HG GLN 33 5.054 -2.841 -5.158 230 HG3 GLN 33 2HG GLN 33 6.326 -3.662 -4.256 231 HE21 GLN 33 1HE2 GLN 33 5.119 -3.567 -7.160 232 HE22 GLN 33 2HE2 GLN 33 5.199 -5.227 -7.634 233 H VAL 34 H VAL 34 5.395 -0.593 -2.856 234 HA VAL 34 HA VAL 34 3.164 0.923 -3.812 235 HB VAL 34 HB VAL 34 6.103 1.565 -3.596 236 HG11 VAL 34 1HG1 VAL 34 3.839 3.265 -4.617 237 HG12 VAL 34 2HG1 VAL 34 5.365 3.935 -4.036 238 HG13 VAL 34 3HG1 VAL 34 5.348 2.859 -5.434 239 HG21 VAL 34 1HG2 VAL 34 3.667 2.409 -2.035 240 HG22 VAL 34 2HG2 VAL 34 5.017 1.427 -1.466 241 HG23 VAL 34 3HG2 VAL 34 5.264 3.132 -1.842 242 H LEU 35 H LEU 35 2.411 0.909 -5.816 243 HA LEU 35 HA LEU 35 4.133 -0.017 -7.993 244 HB2 LEU 35 1HB LEU 35 1.193 0.572 -8.164 245 HB3 LEU 35 2HB LEU 35 2.168 -0.435 -9.231 246 HG LEU 35 HG LEU 35 1.865 -1.245 -6.378 247 HD11 LEU 35 1HD1 LEU 35 -0.406 -0.755 -6.952 248 HD12 LEU 35 2HD1 LEU 35 -0.185 -2.504 -7.014 249 HD13 LEU 35 3HD1 LEU 35 -0.241 -1.569 -8.508 250 HD21 LEU 35 1HD2 LEU 35 3.369 -2.490 -7.818 251 HD22 LEU 35 2HD2 LEU 35 2.076 -2.739 -8.991 252 HD23 LEU 35 3HD2 LEU 35 1.973 -3.480 -7.393 253 H ASP 36 H ASP 36 1.761 2.582 -7.410 254 HA ASP 36 HA ASP 36 3.165 4.203 -9.425 255 HB2 ASP 36 1HB ASP 36 0.602 3.636 -9.528 256 HB3 ASP 36 2HB ASP 36 0.470 4.932 -8.342 257 H THR 37 H THR 37 4.124 6.071 -8.872 258 HA THR 37 HA THR 37 3.652 7.133 -6.168 259 HB THR 37 HB THR 37 6.163 7.773 -6.248 260 HG1 THR 37 1HG THR 37 6.322 5.450 -7.865 261 HG21 THR 37 1HG2 THR 37 6.077 4.868 -5.899 262 HG22 THR 37 2HG2 THR 37 4.783 5.725 -5.061 263 HG23 THR 37 3HG2 THR 37 6.467 6.137 -4.739 264 H SER 38 H SER 38 2.546 8.005 -8.680 265 HA SER 38 HA SER 38 3.926 10.206 -9.763 266 HB2 SER 38 1HB SER 38 1.634 10.903 -10.577 267 HB3 SER 38 2HB SER 38 2.115 9.264 -11.014 268 HG SER 38 HG SER 38 0.529 8.509 -9.861 269 H HIS 39 H HIS 39 1.011 10.347 -7.713 270 HA HIS 39 HA HIS 39 1.318 13.060 -7.048 271 HB2 HIS 39 1HB HIS 39 -0.721 11.395 -6.796 272 HB3 HIS 39 2HB HIS 39 -0.073 11.199 -5.169 273 HD1 HIS 39 1HD HIS 39 -2.705 12.852 -6.511 274 HD2 HIS 39 2HD HIS 39 0.574 14.250 -4.376 275 HE1 HIS 39 1HE HIS 39 -3.423 15.060 -5.546 276 HE2 HIS 39 2HE HIS 39 -1.395 15.927 -4.330 277 H GLU 40 H GLU 40 2.332 14.103 -5.410 278 HA GLU 40 HA GLU 40 4.389 12.671 -3.997 279 HB2 GLU 40 1HB GLU 40 4.623 15.004 -4.958 280 HB3 GLU 40 2HB GLU 40 3.604 15.562 -3.639 281 HG2 GLU 40 1HG GLU 40 6.031 15.861 -3.246 282 HG3 GLU 40 2HG GLU 40 5.216 14.900 -2.013 283 H GLY 41 H GLY 41 2.117 11.544 -3.156 284 HA2 GLY 41 1HA GLY 41 2.209 11.881 -0.354 285 HA3 GLY 41 2HA GLY 41 0.781 12.688 -0.985 286 H TRP 42 H TRP 42 -0.057 11.023 -2.960 287 HA TRP 42 HA TRP 42 -0.814 8.635 -1.429 288 HB2 TRP 42 1HB TRP 42 -2.137 9.979 -3.794 289 HB3 TRP 42 2HB TRP 42 -2.703 8.481 -3.060 290 HD1 TRP 42 HD TRP 42 -2.628 12.244 -2.510 291 HE1 TRP 42 1HE TRP 42 -4.172 12.831 -0.537 292 HE3 TRP 42 3HE TRP 42 -3.639 7.520 -0.837 293 HZ2 TRP 42 2HZ TRP 42 -5.626 11.472 1.465 294 HZ3 TRP 42 3HZ TRP 42 -5.115 7.251 1.113 295 HH2 TRP 42 HH TRP 42 -6.087 9.187 2.239 296 H TRP 43 H TRP 43 -0.191 6.666 -2.050 297 HA TRP 43 HA TRP 43 0.961 6.361 -4.746 298 HB2 TRP 43 1HB TRP 43 1.882 5.116 -2.148 299 HB3 TRP 43 2HB TRP 43 2.478 4.642 -3.736 300 HD1 TRP 43 HD TRP 43 2.395 7.952 -4.575 301 HE1 TRP 43 1HE TRP 43 4.475 9.303 -3.887 302 HE3 TRP 43 3HE TRP 43 4.278 4.792 -1.025 303 HZ2 TRP 43 2HZ TRP 43 6.629 9.061 -2.079 304 HZ3 TRP 43 3HZ TRP 43 6.352 5.425 0.137 305 HH2 TRP 43 HH TRP 43 7.502 7.516 -0.381 306 H LEU 44 H LEU 44 0.461 4.524 -5.888 307 HA LEU 44 HA LEU 44 -1.845 3.036 -4.916 308 HB2 LEU 44 1HB LEU 44 -2.030 3.893 -7.135 309 HB3 LEU 44 2HB LEU 44 -0.481 3.188 -7.595 310 HG LEU 44 HG LEU 44 -1.549 0.924 -7.249 311 HD11 LEU 44 1HD1 LEU 44 -3.448 1.184 -6.002 312 HD12 LEU 44 2HD1 LEU 44 -4.138 1.170 -7.625 313 HD13 LEU 44 3HD1 LEU 44 -3.891 2.701 -6.786 314 HD21 LEU 44 1HD2 LEU 44 -2.470 0.878 -9.429 315 HD22 LEU 44 2HD2 LEU 44 -1.192 2.094 -9.456 316 HD23 LEU 44 3HD2 LEU 44 -2.883 2.591 -9.370 317 H ALA 45 H ALA 45 -1.266 1.435 -3.562 318 HA ALA 45 HA ALA 45 0.854 -0.410 -4.452 319 HB1 ALA 45 1HB ALA 45 1.751 -0.209 -2.435 320 HB2 ALA 45 2HB ALA 45 0.463 0.898 -1.958 321 HB3 ALA 45 3HB ALA 45 0.268 -0.837 -1.715 322 H ARG 46 H ARG 46 0.539 -2.688 -3.625 323 HA ARG 46 HA ARG 46 -2.310 -3.432 -3.648 324 HB2 ARG 46 1HB ARG 46 -1.885 -5.257 -5.126 325 HB3 ARG 46 2HB ARG 46 -1.172 -3.826 -5.856 326 HG2 ARG 46 1HG ARG 46 1.022 -4.508 -5.253 327 HG3 ARG 46 2HG ARG 46 0.400 -5.810 -4.236 328 HD2 ARG 46 1HD ARG 46 -0.356 -5.781 -7.112 329 HD3 ARG 46 2HD ARG 46 1.287 -6.259 -6.686 330 HE ARG 46 HE ARG 46 -0.401 -7.704 -5.041 331 HH11 ARG 46 2HH1 ARG 46 0.188 -7.376 -8.457 332 HH12 ARG 46 1HH1 ARG 46 -0.283 -9.002 -8.827 333 HH21 ARG 46 2HH2 ARG 46 -1.024 -9.846 -5.516 334 HH22 ARG 46 1HH2 ARG 46 -0.974 -10.406 -7.153 335 H HIS 47 H HIS 47 -2.917 -5.076 -2.303 336 HA HIS 47 HA HIS 47 -1.362 -5.605 -0.033 337 HB2 HIS 47 1HB HIS 47 -3.908 -6.671 -1.150 338 HB3 HIS 47 2HB HIS 47 -3.120 -7.607 0.116 339 HD1 HIS 47 1HD HIS 47 -2.746 -6.316 2.432 340 HD2 HIS 47 2HD HIS 47 -5.318 -4.495 -0.276 341 HE1 HIS 47 1HE HIS 47 -4.042 -4.626 3.768 342 HE2 HIS 47 2HE HIS 47 -5.651 -3.596 2.126 343 H LEU 48 H LEU 48 0.201 -7.028 0.371 344 HA LEU 48 HA LEU 48 0.787 -9.056 -1.668 345 HB2 LEU 48 1HB LEU 48 2.571 -8.151 0.579 346 HB3 LEU 48 2HB LEU 48 3.023 -9.086 -0.845 347 HG LEU 48 HG LEU 48 1.961 -6.311 -1.174 348 HD11 LEU 48 1HD1 LEU 48 3.653 -5.393 -0.077 349 HD12 LEU 48 2HD1 LEU 48 4.768 -6.179 -1.194 350 HD13 LEU 48 3HD1 LEU 48 4.315 -6.982 0.309 351 HD21 LEU 48 1HD2 LEU 48 4.110 -7.749 -2.705 352 HD22 LEU 48 2HD2 LEU 48 3.146 -6.359 -3.204 353 HD23 LEU 48 3HD2 LEU 48 2.395 -7.950 -3.070 354 H GLU 49 H GLU 49 0.262 -8.624 1.790 355 HA GLU 49 HA GLU 49 0.815 -11.266 2.588 356 HB2 GLU 49 1HB GLU 49 -0.878 -9.081 3.781 357 HB3 GLU 49 2HB GLU 49 -0.730 -10.658 4.544 358 HG2 GLU 49 1HG GLU 49 1.846 -10.157 4.267 359 HG3 GLU 49 2HG GLU 49 1.273 -8.490 4.257 360 H LYS 50 H LYS 50 -0.404 -13.085 2.698 361 HA LYS 50 HA LYS 50 -2.822 -13.140 1.100 362 HB2 LYS 50 1HB LYS 50 -0.836 -14.886 1.218 363 HB3 LYS 50 2HB LYS 50 -1.791 -15.545 2.539 364 HG2 LYS 50 1HG LYS 50 -2.463 -16.749 0.657 365 HG3 LYS 50 2HG LYS 50 -3.744 -15.560 0.905 366 HD2 LYS 50 1HD LYS 50 -2.385 -14.106 -0.750 367 HD3 LYS 50 2HD LYS 50 -1.601 -15.624 -1.190 368 HE2 LYS 50 1HE LYS 50 -4.585 -15.434 -1.112 369 HE3 LYS 50 2HE LYS 50 -3.695 -14.825 -2.506 370 HZ1 LYS 50 1HZ LYS 50 -3.791 -16.910 -3.240 371 HZ2 LYS 50 2HZ LYS 50 -4.245 -17.531 -1.733 372 HZ3 LYS 50 3HZ LYS 50 -2.610 -17.276 -2.084 373 H LYS 51 H LYS 51 -4.788 -12.930 1.921 374 HA LYS 51 HA LYS 51 -5.232 -13.696 4.732 375 HB2 LYS 51 1HB LYS 51 -5.254 -11.244 4.440 376 HB3 LYS 51 2HB LYS 51 -6.530 -11.408 3.240 377 HG2 LYS 51 1HG LYS 51 -7.611 -10.785 5.221 378 HG3 LYS 51 2HG LYS 51 -7.902 -12.518 5.059 379 HD2 LYS 51 1HD LYS 51 -7.281 -12.422 7.261 380 HD3 LYS 51 2HD LYS 51 -5.704 -12.675 6.509 381 HE2 LYS 51 1HE LYS 51 -6.737 -9.905 6.982 382 HE3 LYS 51 2HE LYS 51 -5.983 -10.812 8.292 383 HZ1 LYS 51 1HZ LYS 51 -4.251 -9.616 7.337 384 HZ2 LYS 51 2HZ LYS 51 -4.775 -9.903 5.755 385 HZ3 LYS 51 3HZ LYS 51 -4.081 -11.155 6.656 386 H GLY 52 H GLY 52 -6.957 -13.034 1.677 387 HA2 GLY 52 1HA GLY 52 -8.257 -14.761 0.608 388 HA3 GLY 52 2HA GLY 52 -8.574 -15.442 2.197 389 H THR 53 H THR 53 -9.841 -14.004 3.697 390 HA THR 53 HA THR 53 -11.731 -12.284 2.251 391 HB THR 53 HB THR 53 -13.624 -13.267 3.494 392 HG1 THR 53 1HG THR 53 -12.183 -14.170 5.186 393 HG21 THR 53 1HG2 THR 53 -12.451 -15.652 2.202 394 HG22 THR 53 2HG2 THR 53 -12.518 -14.191 1.218 395 HG23 THR 53 3HG2 THR 53 -13.996 -14.852 1.916 396 H GLY 54 H GLY 54 -12.994 -10.873 3.675 397 HA2 GLY 54 1HA GLY 54 -12.956 -10.444 6.301 398 HA3 GLY 54 2HA GLY 54 -11.331 -9.929 5.873 399 H LEU 55 H LEU 55 -12.050 -7.851 6.743 400 HA LEU 55 HA LEU 55 -14.100 -6.352 5.476 401 HB2 LEU 55 1HB LEU 55 -11.743 -5.444 7.122 402 HB3 LEU 55 2HB LEU 55 -13.098 -4.422 6.648 403 HG LEU 55 HG LEU 55 -14.534 -6.180 7.914 404 HD11 LEU 55 1HD1 LEU 55 -13.019 -7.891 8.378 405 HD12 LEU 55 2HD1 LEU 55 -13.168 -7.027 9.908 406 HD13 LEU 55 3HD1 LEU 55 -11.758 -6.766 8.883 407 HD21 LEU 55 1HD2 LEU 55 -14.580 -4.765 9.719 408 HD22 LEU 55 2HD2 LEU 55 -13.813 -3.732 8.512 409 HD23 LEU 55 3HD2 LEU 55 -12.830 -4.544 9.732 410 H GLY 56 H GLY 56 -14.079 -5.175 3.664 411 HA2 GLY 56 1HA GLY 56 -13.249 -3.899 1.915 412 HA3 GLY 56 2HA GLY 56 -11.644 -4.038 2.617 413 H GLN 57 H GLN 57 -13.735 -5.104 0.176 414 HA GLN 57 HA GLN 57 -12.203 -7.511 -0.402 415 HB2 GLN 57 1HB GLN 57 -13.834 -7.878 -2.191 416 HB3 GLN 57 2HB GLN 57 -14.635 -7.595 -0.651 417 HG2 GLN 57 1HG GLN 57 -15.438 -5.538 -1.288 418 HG3 GLN 57 2HG GLN 57 -14.185 -5.308 -2.506 419 HE21 GLN 57 1HE2 GLN 57 -14.277 -6.961 -4.320 420 HE22 GLN 57 2HE2 GLN 57 -15.844 -7.310 -4.956 421 H GLN 58 H GLN 58 -10.767 -5.074 -0.546 422 HA GLN 58 HA GLN 58 -10.209 -4.950 -3.437 423 HB2 GLN 58 1HB GLN 58 -11.197 -2.859 -2.223 424 HB3 GLN 58 2HB GLN 58 -9.564 -2.675 -1.594 425 HG2 GLN 58 1HG GLN 58 -9.469 -1.357 -3.456 426 HG3 GLN 58 2HG GLN 58 -8.881 -2.889 -4.100 427 HE21 GLN 58 1HE2 GLN 58 -10.098 -3.998 -5.577 428 HE22 GLN 58 2HE2 GLN 58 -11.517 -3.347 -6.316 429 H LEU 59 H LEU 59 -8.032 -4.780 -4.069 430 HA LEU 59 HA LEU 59 -6.094 -5.489 -1.965 431 HB2 LEU 59 1HB LEU 59 -4.856 -6.692 -3.778 432 HB3 LEU 59 2HB LEU 59 -6.400 -7.405 -3.317 433 HG LEU 59 HG LEU 59 -7.242 -5.961 -5.388 434 HD11 LEU 59 1HD1 LEU 59 -4.361 -5.881 -5.581 435 HD12 LEU 59 2HD1 LEU 59 -5.579 -5.030 -6.530 436 HD13 LEU 59 3HD1 LEU 59 -5.084 -6.659 -6.989 437 HD21 LEU 59 1HD2 LEU 59 -6.123 -8.699 -5.154 438 HD22 LEU 59 2HD2 LEU 59 -6.496 -8.099 -6.771 439 HD23 LEU 59 3HD2 LEU 59 -7.761 -8.171 -5.543 440 H GLN 60 H GLN 60 -6.693 -3.687 -4.917 441 HA GLN 60 HA GLN 60 -4.156 -2.249 -4.500 442 HB2 GLN 60 1HB GLN 60 -5.616 -3.074 -6.958 443 HB3 GLN 60 2HB GLN 60 -4.754 -1.542 -7.000 444 HG2 GLN 60 1HG GLN 60 -2.683 -2.644 -6.443 445 HG3 GLN 60 2HG GLN 60 -3.520 -4.184 -6.260 446 HE21 GLN 60 1HE2 GLN 60 -3.309 -1.587 -8.675 447 HE22 GLN 60 2HE2 GLN 60 -3.091 -2.635 -10.031 448 H GLY 61 H GLY 61 -4.194 -0.089 -4.188 449 HA2 GLY 61 1HA GLY 61 -6.265 1.635 -5.039 450 HA3 GLY 61 2HA GLY 61 -6.525 1.199 -3.356 451 H TYR 62 H TYR 62 -6.228 3.758 -3.661 452 HA TYR 62 HA TYR 62 -3.457 4.576 -3.584 453 HB2 TYR 62 1HB TYR 62 -6.029 6.112 -3.179 454 HB3 TYR 62 2HB TYR 62 -4.429 6.845 -3.158 455 HD1 TYR 62 2HD TYR 62 -2.960 6.320 -5.300 456 HD2 TYR 62 1HD TYR 62 -7.208 6.110 -5.165 457 HE1 TYR 62 2HE TYR 62 -3.046 6.584 -7.744 458 HE2 TYR 62 1HE TYR 62 -7.305 6.373 -7.608 459 HH TYR 62 HH TYR 62 -4.422 7.056 -9.498 460 H ILE 63 H ILE 63 -2.263 5.051 -1.823 461 HA ILE 63 HA ILE 63 -3.565 5.149 0.798 462 HB ILE 63 HB ILE 63 -1.980 3.635 1.805 463 HG12 ILE 63 1HG1 ILE 63 -0.878 2.958 -0.912 464 HG13 ILE 63 2HG1 ILE 63 -0.171 4.246 0.058 465 HG21 ILE 63 1HG2 ILE 63 -4.023 2.674 0.873 466 HG22 ILE 63 2HG2 ILE 63 -3.202 2.409 -0.664 467 HG23 ILE 63 3HG2 ILE 63 -2.680 1.535 0.775 468 HD11 ILE 63 1HD1 ILE 63 -0.289 2.192 1.844 469 HD12 ILE 63 2HD1 ILE 63 0.049 1.354 0.329 470 HD13 ILE 63 3HD1 ILE 63 1.123 2.637 0.887 471 HA PRO 64 HA PRO 64 -0.808 8.508 1.483 472 HB2 PRO 64 1HB PRO 64 -0.749 8.500 4.198 473 HB3 PRO 64 2HB PRO 64 -2.147 9.054 3.269 474 HG2 PRO 64 1HG PRO 64 -1.681 6.411 4.595 475 HG3 PRO 64 2HG PRO 64 -3.150 7.404 4.565 476 HD2 PRO 64 1HD PRO 64 -2.813 5.251 2.957 477 HD3 PRO 64 2HD PRO 64 -3.750 6.675 2.462 478 H SER 65 H SER 65 1.346 8.772 1.553 479 HA SER 65 HA SER 65 3.030 6.505 2.056 480 HB2 SER 65 1HB SER 65 4.859 7.953 1.357 481 HB3 SER 65 2HB SER 65 3.498 8.149 0.253 482 HG SER 65 HG SER 65 2.952 10.055 1.384 483 H ASN 66 H ASN 66 2.380 9.583 3.664 484 HA ASN 66 HA ASN 66 4.358 9.552 5.600 485 HB2 ASN 66 1HB ASN 66 1.530 10.461 6.135 486 HB3 ASN 66 2HB ASN 66 3.020 11.087 6.835 487 HD21 ASN 66 1HD2 ASN 66 4.448 12.285 5.470 488 HD22 ASN 66 2HD2 ASN 66 3.825 13.140 4.103 489 H TYR 67 H TYR 67 1.627 7.500 5.261 490 HA TYR 67 HA TYR 67 1.571 6.661 8.025 491 HB2 TYR 67 1HB TYR 67 0.041 6.008 5.556 492 HB3 TYR 67 2HB TYR 67 0.079 4.795 6.831 493 HD1 TYR 67 1HD TYR 67 -0.568 8.444 6.358 494 HD2 TYR 67 2HD TYR 67 -1.519 4.893 8.501 495 HE1 TYR 67 1HE TYR 67 -2.356 9.646 7.545 496 HE2 TYR 67 2HE TYR 67 -3.310 6.085 9.693 497 HH TYR 67 HH TYR 67 -4.551 7.972 9.741 498 H VAL 68 H VAL 68 3.063 5.656 5.051 499 HA VAL 68 HA VAL 68 4.127 3.259 6.396 500 HB VAL 68 HB VAL 68 4.390 2.196 4.311 501 HG11 VAL 68 1HG1 VAL 68 2.004 2.577 5.210 502 HG12 VAL 68 2HG1 VAL 68 1.825 3.672 3.837 503 HG13 VAL 68 3HG1 VAL 68 2.198 1.969 3.567 504 HG21 VAL 68 1HG2 VAL 68 5.348 4.095 3.098 505 HG22 VAL 68 2HG2 VAL 68 4.084 3.302 2.157 506 HG23 VAL 68 3HG2 VAL 68 3.747 4.826 2.978 507 H ALA 69 H ALA 69 6.336 2.615 5.359 508 HA ALA 69 HA ALA 69 8.020 4.855 4.642 509 HB1 ALA 69 1HB ALA 69 9.401 3.627 6.791 510 HB2 ALA 69 2HB ALA 69 8.851 5.297 6.649 511 HB3 ALA 69 3HB ALA 69 7.795 4.078 7.364 512 H GLU 70 H GLU 70 10.390 4.060 4.490 513 HA GLU 70 HA GLU 70 10.376 1.742 2.806 514 HB2 GLU 70 1HB GLU 70 11.836 3.929 2.690 515 HB3 GLU 70 2HB GLU 70 12.905 3.027 3.754 516 HG2 GLU 70 1HG GLU 70 11.936 1.790 1.218 517 HG3 GLU 70 2HG GLU 70 13.262 2.951 1.189 518 H ASP 71 H ASP 71 10.247 -0.218 3.688 519 HA ASP 71 HA ASP 71 11.570 -0.770 6.230 520 HB2 ASP 71 1HB ASP 71 9.147 -1.509 5.457 521 HB3 ASP 71 2HB ASP 71 10.033 -2.851 4.738 522 H SER 72 H SER 72 12.753 -2.857 6.447 523 HA SER 72 HA SER 72 14.598 -3.141 4.196 524 HB2 SER 72 1HB SER 72 16.165 -4.039 5.737 525 HB3 SER 72 2HB SER 72 15.386 -2.706 6.588 526 HG SER 72 HG SER 72 15.195 -5.453 7.014 527 H GLY 73 H GLY 73 14.654 -4.890 2.932 528 HA2 GLY 73 1HA GLY 73 12.822 -7.090 3.563 529 HA3 GLY 73 2HA GLY 73 13.517 -6.744 1.986 530 HA PRO 74 HA PRO 74 16.016 -9.916 4.621 531 HB2 PRO 74 1HB PRO 74 14.768 -12.244 3.993 532 HB3 PRO 74 2HB PRO 74 14.345 -11.280 5.413 533 HG2 PRO 74 1HG PRO 74 13.002 -11.406 2.740 534 HG3 PRO 74 2HG PRO 74 12.275 -11.378 4.357 535 HD2 PRO 74 1HD PRO 74 12.425 -9.176 2.788 536 HD3 PRO 74 2HD PRO 74 12.510 -9.094 4.560 537 H SER 75 H SER 75 17.397 -9.137 2.850 538 HA SER 75 HA SER 75 18.036 -11.279 1.041 539 HB2 SER 75 1HB SER 75 16.197 -9.692 -0.021 540 HB3 SER 75 2HB SER 75 17.597 -8.673 -0.353 541 HG SER 75 HG SER 75 16.779 -10.774 -1.713 542 H SER 76 H SER 76 20.171 -11.332 0.664 543 HA SER 76 HA SER 76 21.860 -9.420 1.950 544 HB2 SER 76 1HB SER 76 23.708 -10.811 0.911 545 HB3 SER 76 2HB SER 76 22.595 -11.694 1.956 546 HG SER 76 HG SER 76 22.797 -12.900 0.128 547 H GLY 77 H GLY 77 22.104 -7.451 1.098 548 HA2 GLY 77 1HA GLY 77 23.033 -7.270 -1.676 549 HA3 GLY 77 2HA GLY 77 21.625 -6.324 -1.218 Start of MODEL 3 1 H1 GLY 1 H GLY 1 10.072 -16.596 -10.426 2 HA2 GLY 1 1HA GLY 1 11.382 -16.842 -12.366 3 HA3 GLY 1 2HA GLY 1 10.271 -18.080 -12.933 4 H SER 2 H SER 2 10.036 -14.637 -12.024 5 HA SER 2 HA SER 2 8.685 -14.165 -14.599 6 HB2 SER 2 1HB SER 2 8.026 -12.836 -11.959 7 HB3 SER 2 2HB SER 2 7.234 -12.528 -13.504 8 HG SER 2 HG SER 2 5.982 -13.981 -12.383 9 H SER 3 H SER 3 8.986 -12.094 -15.539 10 HA SER 3 HA SER 3 11.599 -10.987 -14.994 11 HB2 SER 3 1HB SER 3 9.521 -10.471 -17.118 12 HB3 SER 3 2HB SER 3 10.979 -9.489 -16.979 13 HG SER 3 HG SER 3 11.200 -11.268 -18.441 14 H GLY 4 H GLY 4 11.925 -8.619 -14.867 15 HA2 GLY 4 1HA GLY 4 10.524 -6.506 -14.451 16 HA3 GLY 4 2HA GLY 4 9.879 -7.438 -13.108 17 H SER 5 H SER 5 11.931 -5.041 -13.779 18 HA SER 5 HA SER 5 13.867 -5.814 -11.700 19 HB2 SER 5 1HB SER 5 14.624 -5.141 -14.096 20 HB3 SER 5 2HB SER 5 14.264 -3.495 -13.572 21 HG SER 5 HG SER 5 15.835 -5.108 -11.912 22 H SER 6 H SER 6 11.337 -4.975 -10.911 23 HA SER 6 HA SER 6 12.036 -2.575 -9.421 24 HB2 SER 6 1HB SER 6 10.862 -1.747 -11.445 25 HB3 SER 6 2HB SER 6 9.470 -2.744 -11.022 26 HG SER 6 HG SER 6 9.424 -1.542 -9.008 27 H GLY 7 H GLY 7 11.433 -2.762 -7.359 28 HA2 GLY 7 1HA GLY 7 9.028 -4.205 -6.625 29 HA3 GLY 7 2HA GLY 7 10.527 -4.971 -6.120 30 H GLN 8 H GLN 8 8.551 -2.072 -5.809 31 HA GLN 8 HA GLN 8 10.118 -1.208 -3.501 32 HB2 GLN 8 1HB GLN 8 8.039 0.079 -5.229 33 HB3 GLN 8 2HB GLN 8 8.342 0.716 -3.618 34 HG2 GLN 8 1HG GLN 8 9.739 2.007 -4.890 35 HG3 GLN 8 2HG GLN 8 10.827 0.717 -4.380 36 HE21 GLN 8 1HE2 GLN 8 8.707 1.727 -7.015 37 HE22 GLN 8 2HE2 GLN 8 9.622 0.981 -8.276 38 H TYR 9 H TYR 9 9.606 -2.349 -1.726 39 HA TYR 9 HA TYR 9 6.769 -2.825 -1.132 40 HB2 TYR 9 1HB TYR 9 9.083 -4.054 0.350 41 HB3 TYR 9 2HB TYR 9 7.424 -4.629 0.237 42 HD1 TYR 9 2HD TYR 9 6.641 -5.222 -2.225 43 HD2 TYR 9 1HD TYR 9 10.694 -5.095 -0.937 44 HE1 TYR 9 2HE TYR 9 7.274 -6.693 -4.092 45 HE2 TYR 9 1HE TYR 9 11.338 -6.565 -2.801 46 HH TYR 9 HH TYR 9 10.050 -7.009 -5.323 47 H PHE 10 H PHE 10 5.806 -1.993 0.646 48 HA PHE 10 HA PHE 10 7.471 -0.472 2.533 49 HB2 PHE 10 1HB PHE 10 5.024 0.450 1.050 50 HB3 PHE 10 2HB PHE 10 5.461 1.163 2.599 51 HD1 PHE 10 1HD PHE 10 7.036 0.321 -0.677 52 HD2 PHE 10 2HD PHE 10 6.762 3.050 2.578 53 HE1 PHE 10 1HE PHE 10 8.597 1.839 -1.822 54 HE2 PHE 10 2HE PHE 10 8.322 4.573 1.437 55 HZ PHE 10 HZ PHE 10 9.241 3.968 -0.766 56 H VAL 11 H VAL 11 6.616 -0.252 4.648 57 HA VAL 11 HA VAL 11 4.524 -2.230 5.285 58 HB VAL 11 HB VAL 11 6.685 -2.899 6.181 59 HG11 VAL 11 1HG1 VAL 11 6.695 -0.375 7.820 60 HG12 VAL 11 2HG1 VAL 11 7.977 -1.578 7.660 61 HG13 VAL 11 3HG1 VAL 11 7.570 -0.535 6.297 62 HG21 VAL 11 1HG2 VAL 11 6.067 -3.096 8.554 63 HG22 VAL 11 2HG2 VAL 11 4.801 -1.891 8.313 64 HG23 VAL 11 3HG2 VAL 11 4.709 -3.445 7.484 65 H ALA 12 H ALA 12 2.904 -1.683 6.705 66 HA ALA 12 HA ALA 12 2.426 1.153 7.033 67 HB1 ALA 12 1HB ALA 12 0.282 0.141 8.176 68 HB2 ALA 12 2HB ALA 12 0.464 0.147 6.422 69 HB3 ALA 12 3HB ALA 12 0.802 -1.321 7.338 70 H LEU 13 H LEU 13 2.979 2.270 8.776 71 HA LEU 13 HA LEU 13 3.999 0.957 11.119 72 HB2 LEU 13 1HB LEU 13 3.474 3.883 10.619 73 HB3 LEU 13 2HB LEU 13 4.416 3.211 11.948 74 HG LEU 13 HG LEU 13 5.272 2.629 9.153 75 HD11 LEU 13 1HD1 LEU 13 5.634 4.746 8.615 76 HD12 LEU 13 2HD1 LEU 13 6.649 4.932 10.044 77 HD13 LEU 13 3HD1 LEU 13 4.922 5.274 10.139 78 HD21 LEU 13 1HD2 LEU 13 6.282 1.727 11.354 79 HD22 LEU 13 2HD2 LEU 13 6.982 3.339 11.506 80 HD23 LEU 13 3HD2 LEU 13 7.367 2.338 10.105 81 H PHE 14 H PHE 14 1.002 2.419 10.153 82 HA PHE 14 HA PHE 14 -0.182 1.606 12.696 83 HB2 PHE 14 1HB PHE 14 -0.889 4.294 11.548 84 HB3 PHE 14 2HB PHE 14 -1.190 3.675 13.168 85 HD1 PHE 14 1HD PHE 14 0.761 3.377 14.729 86 HD2 PHE 14 2HD PHE 14 1.051 5.507 11.055 87 HE1 PHE 14 1HE PHE 14 2.812 4.475 15.531 88 HE2 PHE 14 2HE PHE 14 3.102 6.607 11.851 89 HZ PHE 14 HZ PHE 14 3.986 6.091 14.091 90 H ASP 15 H ASP 15 -2.655 1.885 12.562 91 HA ASP 15 HA ASP 15 -3.513 0.561 10.141 92 HB2 ASP 15 1HB ASP 15 -5.424 1.404 12.282 93 HB3 ASP 15 2HB ASP 15 -5.414 -0.062 11.305 94 H TYR 16 H TYR 16 -4.875 1.345 8.593 95 HA TYR 16 HA TYR 16 -5.805 4.119 8.869 96 HB2 TYR 16 1HB TYR 16 -3.857 4.354 7.530 97 HB3 TYR 16 2HB TYR 16 -4.252 2.932 6.572 98 HD1 TYR 16 2HD TYR 16 -5.444 6.373 7.347 99 HD2 TYR 16 1HD TYR 16 -5.406 3.162 4.556 100 HE1 TYR 16 2HE TYR 16 -6.559 7.808 5.690 101 HE2 TYR 16 1HE TYR 16 -6.519 4.589 2.890 102 HH TYR 16 HH TYR 16 -7.752 6.541 2.668 103 H GLN 17 H GLN 17 -7.724 4.613 7.825 104 HA GLN 17 HA GLN 17 -9.164 2.311 6.679 105 HB2 GLN 17 1HB GLN 17 -10.138 4.540 8.455 106 HB3 GLN 17 2HB GLN 17 -11.242 3.562 7.498 107 HG2 GLN 17 1HG GLN 17 -11.219 2.617 9.650 108 HG3 GLN 17 2HG GLN 17 -10.260 1.544 8.632 109 HE21 GLN 17 1HE2 GLN 17 -9.994 4.227 10.913 110 HE22 GLN 17 2HE2 GLN 17 -8.463 3.758 11.561 111 H ALA 18 H ALA 18 -9.324 2.557 4.552 112 HA ALA 18 HA ALA 18 -8.940 4.857 3.079 113 HB1 ALA 18 1HB ALA 18 -8.906 3.123 1.650 114 HB2 ALA 18 2HB ALA 18 -10.110 2.212 2.563 115 HB3 ALA 18 3HB ALA 18 -10.621 3.488 1.459 116 H ARG 19 H ARG 19 -10.007 6.716 3.211 117 HA ARG 19 HA ARG 19 -12.593 7.015 4.280 118 HB2 ARG 19 1HB ARG 19 -11.034 8.902 2.505 119 HB3 ARG 19 2HB ARG 19 -12.454 9.332 3.448 120 HG2 ARG 19 1HG ARG 19 -11.278 8.929 5.503 121 HG3 ARG 19 2HG ARG 19 -9.878 8.313 4.624 122 HD2 ARG 19 1HD ARG 19 -9.910 10.642 3.471 123 HD3 ARG 19 2HD ARG 19 -10.884 11.119 4.861 124 HE ARG 19 HE ARG 19 -8.063 10.528 4.833 125 HH11 ARG 19 2HH1 ARG 19 -10.939 10.786 6.779 126 HH12 ARG 19 1HH1 ARG 19 -10.072 11.051 8.256 127 HH21 ARG 19 2HH2 ARG 19 -6.912 10.876 6.771 128 HH22 ARG 19 1HH2 ARG 19 -7.782 11.103 8.250 129 H THR 20 H THR 20 -11.429 6.558 1.012 130 HA THR 20 HA THR 20 -14.226 6.453 0.093 131 HB THR 20 HB THR 20 -13.477 7.272 -2.120 132 HG1 THR 20 1HG THR 20 -11.339 8.348 -2.069 133 HG21 THR 20 1HG2 THR 20 -12.627 9.279 -0.053 134 HG22 THR 20 2HG2 THR 20 -14.310 8.773 -0.202 135 HG23 THR 20 3HG2 THR 20 -13.498 9.546 -1.563 136 H ALA 21 H ALA 21 -14.536 5.110 -1.857 137 HA ALA 21 HA ALA 21 -13.531 2.531 -1.525 138 HB1 ALA 21 1HB ALA 21 -15.612 3.425 -2.829 139 HB2 ALA 21 2HB ALA 21 -14.504 3.419 -4.201 140 HB3 ALA 21 3HB ALA 21 -14.829 1.924 -3.324 141 H GLU 22 H GLU 22 -12.526 5.106 -3.738 142 HA GLU 22 HA GLU 22 -10.737 3.708 -5.319 143 HB2 GLU 22 1HB GLU 22 -10.666 6.559 -4.334 144 HB3 GLU 22 2HB GLU 22 -9.521 5.927 -5.509 145 HG2 GLU 22 1HG GLU 22 -11.440 5.338 -6.973 146 HG3 GLU 22 2HG GLU 22 -12.503 6.148 -5.823 147 H ASP 23 H ASP 23 -10.108 5.354 -2.231 148 HA ASP 23 HA ASP 23 -7.373 4.648 -2.094 149 HB2 ASP 23 1HB ASP 23 -9.377 5.544 -0.031 150 HB3 ASP 23 2HB ASP 23 -7.717 5.146 0.404 151 H LEU 24 H LEU 24 -6.338 3.098 -0.758 152 HA LEU 24 HA LEU 24 -7.927 0.658 -0.417 153 HB2 LEU 24 1HB LEU 24 -5.867 0.615 -1.817 154 HB3 LEU 24 2HB LEU 24 -4.931 0.985 -0.370 155 HG LEU 24 HG LEU 24 -5.921 -1.175 0.593 156 HD11 LEU 24 1HD1 LEU 24 -7.261 -1.123 -1.894 157 HD12 LEU 24 2HD1 LEU 24 -7.331 -2.359 -0.638 158 HD13 LEU 24 3HD1 LEU 24 -6.135 -2.480 -1.928 159 HD21 LEU 24 1HD2 LEU 24 -3.650 -1.234 0.152 160 HD22 LEU 24 2HD2 LEU 24 -3.873 -0.980 -1.580 161 HD23 LEU 24 3HD2 LEU 24 -4.264 -2.542 -0.859 162 H SER 25 H SER 25 -7.662 -0.644 1.482 163 HA SER 25 HA SER 25 -7.027 0.968 3.863 164 HB2 SER 25 1HB SER 25 -8.623 -0.351 5.086 165 HB3 SER 25 2HB SER 25 -9.399 0.167 3.589 166 HG SER 25 HG SER 25 -8.931 -2.329 4.484 167 H PHE 26 H PHE 26 -5.947 -0.025 5.623 168 HA PHE 26 HA PHE 26 -4.861 -2.670 5.381 169 HB2 PHE 26 1HB PHE 26 -2.470 -1.896 5.430 170 HB3 PHE 26 2HB PHE 26 -3.297 -1.612 3.902 171 HD1 PHE 26 1HD PHE 26 -3.917 0.647 3.224 172 HD2 PHE 26 2HD PHE 26 -1.757 -0.079 6.819 173 HE1 PHE 26 1HE PHE 26 -3.309 3.028 3.335 174 HE2 PHE 26 2HE PHE 26 -1.147 2.301 6.937 175 HZ PHE 26 HZ PHE 26 -1.924 3.859 5.194 176 H ARG 27 H ARG 27 -3.181 -3.029 7.199 177 HA ARG 27 HA ARG 27 -3.945 -1.440 9.559 178 HB2 ARG 27 1HB ARG 27 -3.649 -4.441 9.365 179 HB3 ARG 27 2HB ARG 27 -3.810 -3.561 10.879 180 HG2 ARG 27 1HG ARG 27 -5.861 -3.351 8.702 181 HG3 ARG 27 2HG ARG 27 -5.902 -4.636 9.911 182 HD2 ARG 27 1HD ARG 27 -5.659 -2.619 11.581 183 HD3 ARG 27 2HD ARG 27 -6.329 -1.704 10.230 184 HE ARG 27 HE ARG 27 -7.712 -3.579 11.909 185 HH11 ARG 27 2HH1 ARG 27 -7.646 -2.052 8.781 186 HH12 ARG 27 1HH1 ARG 27 -9.340 -2.269 8.494 187 HH21 ARG 27 2HH2 ARG 27 -9.945 -3.871 11.543 188 HH22 ARG 27 1HH2 ARG 27 -10.647 -3.303 10.066 189 H ALA 28 H ALA 28 -2.390 -1.668 11.381 190 HA ALA 28 HA ALA 28 0.210 -1.018 10.578 191 HB1 ALA 28 1HB ALA 28 -1.036 -0.545 12.801 192 HB2 ALA 28 2HB ALA 28 -0.353 -2.089 13.313 193 HB3 ALA 28 3HB ALA 28 0.713 -0.772 12.823 194 H GLY 29 H GLY 29 1.537 -2.377 9.550 195 HA2 GLY 29 1HA GLY 29 3.171 -4.130 9.813 196 HA3 GLY 29 2HA GLY 29 1.999 -5.017 10.775 197 H ASP 30 H ASP 30 1.182 -3.423 7.769 198 HA ASP 30 HA ASP 30 0.641 -6.066 6.600 199 HB2 ASP 30 1HB ASP 30 -0.603 -3.361 6.232 200 HB3 ASP 30 2HB ASP 30 -0.743 -4.572 4.961 201 H LYS 31 H LYS 31 1.453 -6.648 4.632 202 HA LYS 31 HA LYS 31 3.687 -5.057 3.654 203 HB2 LYS 31 1HB LYS 31 2.736 -7.842 2.969 204 HB3 LYS 31 2HB LYS 31 4.135 -7.072 2.232 205 HG2 LYS 31 1HG LYS 31 3.992 -7.267 5.200 206 HG3 LYS 31 2HG LYS 31 4.408 -8.701 4.258 207 HD2 LYS 31 1HD LYS 31 6.154 -7.246 3.111 208 HD3 LYS 31 2HD LYS 31 5.857 -6.068 4.392 209 HE2 LYS 31 1HE LYS 31 7.669 -7.291 5.189 210 HE3 LYS 31 2HE LYS 31 6.289 -8.028 6.002 211 HZ1 LYS 31 1HZ LYS 31 8.126 -9.176 4.125 212 HZ2 LYS 31 2HZ LYS 31 6.512 -9.450 3.698 213 HZ3 LYS 31 3HZ LYS 31 7.081 -9.938 5.215 214 H LEU 32 H LEU 32 3.104 -3.463 2.310 215 HA LEU 32 HA LEU 32 1.269 -4.133 0.103 216 HB2 LEU 32 1HB LEU 32 1.699 -1.480 1.467 217 HB3 LEU 32 2HB LEU 32 0.699 -1.726 0.037 218 HG LEU 32 HG LEU 32 0.074 -3.294 2.491 219 HD11 LEU 32 1HD1 LEU 32 0.401 -1.046 3.355 220 HD12 LEU 32 2HD1 LEU 32 -1.312 -1.464 3.340 221 HD13 LEU 32 3HD1 LEU 32 -0.656 -0.394 2.102 222 HD21 LEU 32 1HD2 LEU 32 -2.262 -2.502 1.510 223 HD22 LEU 32 2HD2 LEU 32 -1.393 -3.892 0.858 224 HD23 LEU 32 3HD2 LEU 32 -1.298 -2.329 0.044 225 H GLN 33 H GLN 33 1.982 -3.845 -1.924 226 HA GLN 33 HA GLN 33 4.709 -2.856 -2.270 227 HB2 GLN 33 1HB GLN 33 4.223 -5.037 -3.224 228 HB3 GLN 33 2HB GLN 33 2.881 -4.368 -4.143 229 HG2 GLN 33 1HG GLN 33 4.427 -3.010 -5.440 230 HG3 GLN 33 2HG GLN 33 5.780 -3.642 -4.503 231 HE21 GLN 33 1HE2 GLN 33 6.526 -4.208 -6.696 232 HE22 GLN 33 2HE2 GLN 33 6.028 -5.723 -7.361 233 H VAL 34 H VAL 34 5.041 -0.837 -2.894 234 HA VAL 34 HA VAL 34 2.911 0.830 -3.831 235 HB VAL 34 HB VAL 34 5.877 1.355 -3.603 236 HG11 VAL 34 1HG1 VAL 34 5.033 3.791 -3.693 237 HG12 VAL 34 2HG1 VAL 34 5.195 2.896 -5.206 238 HG13 VAL 34 3HG1 VAL 34 3.605 3.105 -4.469 239 HG21 VAL 34 1HG2 VAL 34 5.517 2.080 -1.497 240 HG22 VAL 34 2HG2 VAL 34 3.929 2.743 -1.881 241 HG23 VAL 34 3HG2 VAL 34 4.115 1.014 -1.588 242 H LEU 35 H LEU 35 2.241 1.047 -5.854 243 HA LEU 35 HA LEU 35 3.928 0.059 -8.030 244 HB2 LEU 35 1HB LEU 35 1.054 0.937 -8.176 245 HB3 LEU 35 2HB LEU 35 1.950 -0.010 -9.362 246 HG LEU 35 HG LEU 35 1.389 -1.035 -6.592 247 HD11 LEU 35 1HD1 LEU 35 -0.712 -0.389 -7.849 248 HD12 LEU 35 2HD1 LEU 35 -0.590 -2.073 -7.339 249 HD13 LEU 35 3HD1 LEU 35 -0.279 -1.636 -9.019 250 HD21 LEU 35 1HD2 LEU 35 3.116 -1.979 -8.373 251 HD22 LEU 35 2HD2 LEU 35 1.656 -2.739 -9.007 252 HD23 LEU 35 3HD2 LEU 35 2.156 -3.042 -7.343 253 H ASP 36 H ASP 36 1.786 2.848 -7.424 254 HA ASP 36 HA ASP 36 3.424 4.414 -9.297 255 HB2 ASP 36 1HB ASP 36 0.847 4.143 -9.538 256 HB3 ASP 36 2HB ASP 36 0.767 5.314 -8.224 257 H THR 37 H THR 37 4.440 6.258 -8.672 258 HA THR 37 HA THR 37 4.078 7.155 -5.895 259 HB THR 37 HB THR 37 6.536 7.528 -5.732 260 HG1 THR 37 1HG THR 37 7.706 7.228 -7.461 261 HG21 THR 37 1HG2 THR 37 6.470 5.607 -4.606 262 HG22 THR 37 2HG2 THR 37 6.765 4.736 -6.111 263 HG23 THR 37 3HG2 THR 37 5.112 5.052 -5.585 264 H SER 38 H SER 38 3.114 8.209 -8.460 265 HA SER 38 HA SER 38 4.700 10.577 -8.963 266 HB2 SER 38 1HB SER 38 2.169 9.449 -10.131 267 HB3 SER 38 2HB SER 38 2.665 11.103 -10.487 268 HG SER 38 HG SER 38 4.797 9.931 -10.976 269 H HIS 39 H HIS 39 1.294 10.041 -8.040 270 HA HIS 39 HA HIS 39 0.779 12.682 -7.268 271 HB2 HIS 39 1HB HIS 39 -0.903 10.817 -7.696 272 HB3 HIS 39 2HB HIS 39 -0.557 10.260 -6.062 273 HD1 HIS 39 1HD HIS 39 -3.056 10.762 -5.450 274 HD2 HIS 39 2HD HIS 39 -0.814 14.092 -6.519 275 HE1 HIS 39 1HE HIS 39 -4.408 12.748 -4.708 276 HE2 HIS 39 2HE HIS 39 -3.071 14.753 -5.442 277 H GLU 40 H GLU 40 2.623 13.328 -6.050 278 HA GLU 40 HA GLU 40 3.819 12.288 -3.891 279 HB2 GLU 40 1HB GLU 40 4.201 14.579 -4.862 280 HB3 GLU 40 2HB GLU 40 2.834 15.142 -3.912 281 HG2 GLU 40 1HG GLU 40 4.624 15.714 -2.587 282 HG3 GLU 40 2HG GLU 40 4.133 14.165 -1.903 283 H GLY 41 H GLY 41 3.379 11.741 -1.830 284 HA2 GLY 41 1HA GLY 41 2.239 11.835 0.228 285 HA3 GLY 41 2HA GLY 41 0.942 12.724 -0.557 286 H TRP 42 H TRP 42 0.119 11.178 -2.563 287 HA TRP 42 HA TRP 42 -0.805 8.754 -1.182 288 HB2 TRP 42 1HB TRP 42 -2.030 10.265 -3.500 289 HB3 TRP 42 2HB TRP 42 -2.695 8.799 -2.785 290 HD1 TRP 42 HD TRP 42 -2.312 12.539 -2.143 291 HE1 TRP 42 1HE TRP 42 -3.835 13.203 -0.177 292 HE3 TRP 42 3HE TRP 42 -3.770 7.877 -0.633 293 HZ2 TRP 42 2HZ TRP 42 -5.441 11.921 1.758 294 HZ3 TRP 42 3HZ TRP 42 -5.301 7.683 1.284 295 HH2 TRP 42 HH TRP 42 -6.117 9.664 2.453 296 H TRP 43 H TRP 43 -0.234 6.809 -1.906 297 HA TRP 43 HA TRP 43 0.921 6.618 -4.611 298 HB2 TRP 43 1HB TRP 43 1.765 5.202 -2.078 299 HB3 TRP 43 2HB TRP 43 2.335 4.754 -3.683 300 HD1 TRP 43 HD TRP 43 2.437 8.094 -4.396 301 HE1 TRP 43 1HE TRP 43 4.590 9.299 -3.661 302 HE3 TRP 43 3HE TRP 43 4.139 4.700 -0.973 303 HZ2 TRP 43 2HZ TRP 43 6.727 8.867 -1.868 304 HZ3 TRP 43 3HZ TRP 43 6.246 5.171 0.208 305 HH2 TRP 43 HH TRP 43 7.512 7.211 -0.232 306 H LEU 44 H LEU 44 0.549 4.689 -5.773 307 HA LEU 44 HA LEU 44 -1.911 3.324 -4.969 308 HB2 LEU 44 1HB LEU 44 -1.959 4.287 -7.163 309 HB3 LEU 44 2HB LEU 44 -0.449 3.488 -7.597 310 HG LEU 44 HG LEU 44 -1.701 1.295 -7.327 311 HD11 LEU 44 1HD1 LEU 44 -3.840 1.259 -6.733 312 HD12 LEU 44 2HD1 LEU 44 -4.261 2.479 -7.934 313 HD13 LEU 44 3HD1 LEU 44 -3.689 2.971 -6.340 314 HD21 LEU 44 1HD2 LEU 44 -2.768 3.090 -9.494 315 HD22 LEU 44 2HD2 LEU 44 -2.494 1.348 -9.557 316 HD23 LEU 44 3HD2 LEU 44 -1.122 2.456 -9.491 317 H ALA 45 H ALA 45 -1.356 1.707 -3.596 318 HA ALA 45 HA ALA 45 0.648 -0.236 -4.545 319 HB1 ALA 45 1HB ALA 45 0.044 -0.603 -1.778 320 HB2 ALA 45 2HB ALA 45 1.580 -0.177 -2.534 321 HB3 ALA 45 3HB ALA 45 0.446 1.090 -2.067 322 H ARG 46 H ARG 46 0.236 -2.503 -3.846 323 HA ARG 46 HA ARG 46 -2.649 -3.099 -3.776 324 HB2 ARG 46 1HB ARG 46 -2.387 -4.866 -5.320 325 HB3 ARG 46 2HB ARG 46 -1.497 -3.513 -6.006 326 HG2 ARG 46 1HG ARG 46 0.558 -4.562 -4.872 327 HG3 ARG 46 2HG ARG 46 -0.442 -6.010 -4.742 328 HD2 ARG 46 1HD ARG 46 -0.751 -6.061 -7.136 329 HD3 ARG 46 2HD ARG 46 0.116 -4.535 -7.312 330 HE ARG 46 HE ARG 46 2.074 -5.701 -7.234 331 HH11 ARG 46 2HH1 ARG 46 -0.450 -7.669 -5.864 332 HH12 ARG 46 1HH1 ARG 46 0.557 -9.068 -5.687 333 HH21 ARG 46 2HH2 ARG 46 3.410 -7.536 -7.006 334 HH22 ARG 46 1HH2 ARG 46 2.752 -8.991 -6.337 335 H HIS 47 H HIS 47 -3.287 -4.940 -2.619 336 HA HIS 47 HA HIS 47 -1.794 -5.496 -0.294 337 HB2 HIS 47 1HB HIS 47 -4.306 -6.532 -1.510 338 HB3 HIS 47 2HB HIS 47 -3.544 -7.514 -0.263 339 HD1 HIS 47 1HD HIS 47 -2.768 -5.687 1.876 340 HD2 HIS 47 2HD HIS 47 -6.211 -5.026 -0.353 341 HE1 HIS 47 1HE HIS 47 -4.221 -4.213 3.305 342 HE2 HIS 47 2HE HIS 47 -6.334 -3.897 1.971 343 H LEU 48 H LEU 48 -0.382 -7.073 0.216 344 HA LEU 48 HA LEU 48 0.321 -8.977 -1.914 345 HB2 LEU 48 1HB LEU 48 2.007 -8.050 0.405 346 HB3 LEU 48 2HB LEU 48 2.526 -9.090 -0.920 347 HG LEU 48 HG LEU 48 1.629 -6.243 -1.320 348 HD11 LEU 48 1HD1 LEU 48 3.530 -5.551 -0.415 349 HD12 LEU 48 2HD1 LEU 48 4.403 -6.437 -1.664 350 HD13 LEU 48 3HD1 LEU 48 4.048 -7.211 -0.120 351 HD21 LEU 48 1HD2 LEU 48 1.540 -7.668 -3.294 352 HD22 LEU 48 2HD2 LEU 48 3.216 -8.153 -3.033 353 HD23 LEU 48 3HD2 LEU 48 2.835 -6.478 -3.436 354 H GLU 49 H GLU 49 -0.463 -8.650 1.486 355 HA GLU 49 HA GLU 49 0.151 -11.227 2.364 356 HB2 GLU 49 1HB GLU 49 -1.777 -9.123 3.257 357 HB3 GLU 49 2HB GLU 49 -1.876 -10.727 3.971 358 HG2 GLU 49 1HG GLU 49 0.708 -10.369 4.310 359 HG3 GLU 49 2HG GLU 49 0.252 -8.669 4.208 360 H LYS 50 H LYS 50 -0.648 -13.148 1.856 361 HA LYS 50 HA LYS 50 -3.036 -13.330 0.218 362 HB2 LYS 50 1HB LYS 50 -0.984 -15.355 1.107 363 HB3 LYS 50 2HB LYS 50 -2.420 -15.796 0.192 364 HG2 LYS 50 1HG LYS 50 -1.700 -14.686 -1.716 365 HG3 LYS 50 2HG LYS 50 -0.552 -13.689 -0.819 366 HD2 LYS 50 1HD LYS 50 0.739 -15.292 -1.987 367 HD3 LYS 50 2HD LYS 50 0.703 -15.826 -0.305 368 HE2 LYS 50 1HE LYS 50 -1.177 -17.348 -0.902 369 HE3 LYS 50 2HE LYS 50 -0.954 -16.889 -2.590 370 HZ1 LYS 50 1HZ LYS 50 0.811 -18.478 -0.853 371 HZ2 LYS 50 2HZ LYS 50 1.469 -17.627 -2.159 372 HZ3 LYS 50 3HZ LYS 50 0.284 -18.804 -2.428 373 H LYS 51 H LYS 51 -1.898 -14.518 3.360 374 HA LYS 51 HA LYS 51 -4.423 -15.751 3.982 375 HB2 LYS 51 1HB LYS 51 -3.421 -16.499 5.954 376 HB3 LYS 51 2HB LYS 51 -2.083 -16.447 4.814 377 HG2 LYS 51 1HG LYS 51 -1.101 -15.436 6.594 378 HG3 LYS 51 2HG LYS 51 -1.796 -14.017 5.808 379 HD2 LYS 51 1HD LYS 51 -2.461 -13.720 8.000 380 HD3 LYS 51 2HD LYS 51 -3.863 -14.539 7.307 381 HE2 LYS 51 1HE LYS 51 -3.341 -15.546 9.426 382 HE3 LYS 51 2HE LYS 51 -2.956 -16.690 8.141 383 HZ1 LYS 51 1HZ LYS 51 -0.963 -14.935 9.468 384 HZ2 LYS 51 2HZ LYS 51 -0.646 -16.166 8.352 385 HZ3 LYS 51 3HZ LYS 51 -1.240 -16.551 9.888 386 H GLY 52 H GLY 52 -3.001 -12.635 4.360 387 HA2 GLY 52 1HA GLY 52 -4.044 -11.492 6.559 388 HA3 GLY 52 2HA GLY 52 -4.045 -10.668 5.006 389 H THR 53 H THR 53 -5.951 -11.605 7.522 390 HA THR 53 HA THR 53 -8.363 -11.876 5.865 391 HB THR 53 HB THR 53 -9.488 -12.653 7.922 392 HG1 THR 53 1HG THR 53 -6.936 -12.748 9.152 393 HG21 THR 53 1HG2 THR 53 -8.790 -14.786 7.629 394 HG22 THR 53 2HG2 THR 53 -7.093 -14.376 7.878 395 HG23 THR 53 3HG2 THR 53 -7.852 -14.079 6.315 396 H GLY 54 H GLY 54 -9.445 -10.054 5.515 397 HA2 GLY 54 1HA GLY 54 -10.111 -8.316 7.733 398 HA3 GLY 54 2HA GLY 54 -9.078 -7.577 6.518 399 H LEU 55 H LEU 55 -10.420 -6.138 5.581 400 HA LEU 55 HA LEU 55 -12.776 -7.235 4.212 401 HB2 LEU 55 1HB LEU 55 -12.622 -4.801 5.955 402 HB3 LEU 55 2HB LEU 55 -13.828 -4.927 4.676 403 HG LEU 55 HG LEU 55 -14.505 -7.132 5.832 404 HD11 LEU 55 1HD1 LEU 55 -14.043 -6.550 8.434 405 HD12 LEU 55 2HD1 LEU 55 -12.524 -6.033 7.702 406 HD13 LEU 55 3HD1 LEU 55 -13.089 -7.689 7.483 407 HD21 LEU 55 1HD2 LEU 55 -15.621 -5.552 7.708 408 HD22 LEU 55 2HD2 LEU 55 -16.178 -5.635 6.037 409 HD23 LEU 55 3HD2 LEU 55 -15.098 -4.335 6.544 410 H GLY 56 H GLY 56 -13.642 -5.427 2.635 411 HA2 GLY 56 1HA GLY 56 -12.962 -3.560 1.220 412 HA3 GLY 56 2HA GLY 56 -11.315 -4.161 1.330 413 H GLN 57 H GLN 57 -13.595 -3.756 -0.826 414 HA GLN 57 HA GLN 57 -13.752 -6.368 -2.020 415 HB2 GLN 57 1HB GLN 57 -14.485 -3.671 -3.174 416 HB3 GLN 57 2HB GLN 57 -14.932 -5.236 -3.840 417 HG2 GLN 57 1HG GLN 57 -16.311 -5.716 -1.937 418 HG3 GLN 57 2HG GLN 57 -15.766 -4.250 -1.124 419 HE21 GLN 57 1HE2 GLN 57 -18.169 -5.593 -2.961 420 HE22 GLN 57 2HE2 GLN 57 -18.927 -4.148 -3.528 421 H GLN 58 H GLN 58 -12.007 -3.357 -2.687 422 HA GLN 58 HA GLN 58 -10.658 -4.465 -4.976 423 HB2 GLN 58 1HB GLN 58 -11.248 -2.014 -4.637 424 HB3 GLN 58 2HB GLN 58 -9.919 -1.949 -3.488 425 HG2 GLN 58 1HG GLN 58 -8.322 -2.122 -5.104 426 HG3 GLN 58 2HG GLN 58 -9.370 -3.023 -6.199 427 HE21 GLN 58 1HE2 GLN 58 -9.285 0.164 -4.632 428 HE22 GLN 58 2HE2 GLN 58 -9.732 1.057 -6.042 429 H LEU 59 H LEU 59 -8.234 -4.402 -5.093 430 HA LEU 59 HA LEU 59 -7.104 -5.495 -2.603 431 HB2 LEU 59 1HB LEU 59 -5.492 -6.668 -4.087 432 HB3 LEU 59 2HB LEU 59 -7.169 -7.175 -4.288 433 HG LEU 59 HG LEU 59 -5.970 -5.143 -6.134 434 HD11 LEU 59 1HD1 LEU 59 -4.384 -6.938 -6.208 435 HD12 LEU 59 2HD1 LEU 59 -5.393 -7.022 -7.652 436 HD13 LEU 59 3HD1 LEU 59 -5.675 -8.136 -6.314 437 HD21 LEU 59 1HD2 LEU 59 -8.482 -6.303 -5.854 438 HD22 LEU 59 2HD2 LEU 59 -7.755 -7.134 -7.229 439 HD23 LEU 59 3HD2 LEU 59 -7.890 -5.375 -7.231 440 H GLN 60 H GLN 60 -6.716 -3.166 -5.150 441 HA GLN 60 HA GLN 60 -4.406 -2.053 -3.718 442 HB2 GLN 60 1HB GLN 60 -3.233 -1.592 -5.743 443 HB3 GLN 60 2HB GLN 60 -3.696 -3.288 -5.790 444 HG2 GLN 60 1HG GLN 60 -5.525 -2.787 -7.283 445 HG3 GLN 60 2HG GLN 60 -5.177 -1.062 -7.173 446 HE21 GLN 60 1HE2 GLN 60 -3.386 -0.227 -8.234 447 HE22 GLN 60 2HE2 GLN 60 -2.552 -1.105 -9.466 448 H GLY 61 H GLY 61 -4.333 0.158 -3.570 449 HA2 GLY 61 1HA GLY 61 -6.044 1.839 -5.162 450 HA3 GLY 61 2HA GLY 61 -6.606 1.655 -3.507 451 H TYR 62 H TYR 62 -6.262 4.044 -3.584 452 HA TYR 62 HA TYR 62 -3.515 4.951 -3.518 453 HB2 TYR 62 1HB TYR 62 -6.161 6.353 -3.143 454 HB3 TYR 62 2HB TYR 62 -4.615 7.172 -2.950 455 HD1 TYR 62 2HD TYR 62 -2.945 6.622 -5.040 456 HD2 TYR 62 1HD TYR 62 -7.197 6.671 -5.169 457 HE1 TYR 62 2HE TYR 62 -2.861 7.044 -7.462 458 HE2 TYR 62 1HE TYR 62 -7.125 7.091 -7.592 459 HH TYR 62 HH TYR 62 -5.105 6.508 -9.500 460 H ILE 63 H ILE 63 -2.295 5.223 -1.761 461 HA ILE 63 HA ILE 63 -3.572 5.363 0.872 462 HB ILE 63 HB ILE 63 -2.008 3.768 1.836 463 HG12 ILE 63 1HG1 ILE 63 -1.107 3.129 -0.975 464 HG13 ILE 63 2HG1 ILE 63 -0.215 4.206 0.093 465 HG21 ILE 63 1HG2 ILE 63 -2.795 1.774 0.153 466 HG22 ILE 63 2HG2 ILE 63 -3.791 2.474 1.429 467 HG23 ILE 63 3HG2 ILE 63 -3.952 3.049 -0.231 468 HD11 ILE 63 1HD1 ILE 63 -0.574 1.262 0.234 469 HD12 ILE 63 2HD1 ILE 63 0.877 2.240 0.457 470 HD13 ILE 63 3HD1 ILE 63 -0.340 2.165 1.731 471 HA PRO 64 HA PRO 64 -0.638 8.576 1.543 472 HB2 PRO 64 1HB PRO 64 -0.635 8.601 4.257 473 HB3 PRO 64 2HB PRO 64 -1.977 9.228 3.292 474 HG2 PRO 64 1HG PRO 64 -1.703 6.580 4.661 475 HG3 PRO 64 2HG PRO 64 -3.107 7.661 4.587 476 HD2 PRO 64 1HD PRO 64 -2.873 5.471 3.013 477 HD3 PRO 64 2HD PRO 64 -3.709 6.944 2.481 478 H SER 65 H SER 65 1.527 8.715 1.669 479 HA SER 65 HA SER 65 3.055 6.352 2.232 480 HB2 SER 65 1HB SER 65 5.006 7.762 1.637 481 HB3 SER 65 2HB SER 65 3.734 7.834 0.417 482 HG SER 65 HG SER 65 4.815 9.877 1.365 483 H ASN 66 H ASN 66 2.228 9.275 3.924 484 HA ASN 66 HA ASN 66 4.271 9.224 5.874 485 HB2 ASN 66 1HB ASN 66 1.500 10.290 6.378 486 HB3 ASN 66 2HB ASN 66 3.035 10.878 7.012 487 HD21 ASN 66 1HD2 ASN 66 4.515 11.870 5.484 488 HD22 ASN 66 2HD2 ASN 66 3.872 12.737 4.135 489 H TYR 67 H TYR 67 1.651 7.167 5.349 490 HA TYR 67 HA TYR 67 1.397 6.382 8.146 491 HB2 TYR 67 1HB TYR 67 -0.122 5.803 5.640 492 HB3 TYR 67 2HB TYR 67 -0.220 4.651 6.967 493 HD1 TYR 67 1HD TYR 67 -0.394 8.362 6.501 494 HD2 TYR 67 2HD TYR 67 -2.003 4.910 8.396 495 HE1 TYR 67 1HE TYR 67 -2.107 9.760 7.578 496 HE2 TYR 67 2HE TYR 67 -3.722 6.298 9.478 497 HH TYR 67 HH TYR 67 -3.995 9.757 8.783 498 H VAL 68 H VAL 68 2.839 5.309 5.167 499 HA VAL 68 HA VAL 68 3.724 2.828 6.486 500 HB VAL 68 HB VAL 68 4.107 1.885 4.290 501 HG11 VAL 68 1HG1 VAL 68 1.403 3.093 3.983 502 HG12 VAL 68 2HG1 VAL 68 1.918 1.416 3.796 503 HG13 VAL 68 3HG1 VAL 68 1.735 2.109 5.408 504 HG21 VAL 68 1HG2 VAL 68 3.723 3.036 2.253 505 HG22 VAL 68 2HG2 VAL 68 3.000 4.412 3.085 506 HG23 VAL 68 3HG2 VAL 68 4.728 4.095 3.242 507 H ALA 69 H ALA 69 5.911 2.054 5.576 508 HA ALA 69 HA ALA 69 7.760 4.185 4.906 509 HB1 ALA 69 1HB ALA 69 8.827 4.401 6.860 510 HB2 ALA 69 2HB ALA 69 7.376 3.690 7.567 511 HB3 ALA 69 3HB ALA 69 8.764 2.670 7.193 512 H GLU 70 H GLU 70 9.988 3.328 4.549 513 HA GLU 70 HA GLU 70 9.887 1.022 2.910 514 HB2 GLU 70 1HB GLU 70 12.009 2.902 3.820 515 HB3 GLU 70 2HB GLU 70 12.519 1.350 3.169 516 HG2 GLU 70 1HG GLU 70 10.841 2.018 1.240 517 HG3 GLU 70 2HG GLU 70 11.212 3.641 1.818 518 H ASP 71 H ASP 71 9.644 -0.964 3.694 519 HA ASP 71 HA ASP 71 10.842 -1.676 6.262 520 HB2 ASP 71 1HB ASP 71 8.400 -2.231 5.399 521 HB3 ASP 71 2HB ASP 71 9.219 -3.605 4.660 522 H SER 72 H SER 72 12.501 -3.069 6.500 523 HA SER 72 HA SER 72 14.151 -3.642 4.261 524 HB2 SER 72 1HB SER 72 14.945 -3.263 6.630 525 HB3 SER 72 2HB SER 72 14.356 -4.880 7.012 526 HG SER 72 HG SER 72 15.754 -5.550 5.178 527 H GLY 73 H GLY 73 13.573 -5.087 2.769 528 HA2 GLY 73 1HA GLY 73 12.057 -7.458 3.521 529 HA3 GLY 73 2HA GLY 73 12.439 -6.938 1.886 530 HA PRO 74 HA PRO 74 15.406 -10.289 3.635 531 HB2 PRO 74 1HB PRO 74 14.165 -12.546 2.775 532 HB3 PRO 74 2HB PRO 74 13.889 -11.848 4.376 533 HG2 PRO 74 1HG PRO 74 12.233 -11.609 1.894 534 HG3 PRO 74 2HG PRO 74 11.710 -11.880 3.567 535 HD2 PRO 74 1HD PRO 74 11.596 -9.448 2.381 536 HD3 PRO 74 2HD PRO 74 11.895 -9.650 4.119 537 H SER 75 H SER 75 16.786 -9.490 2.025 538 HA SER 75 HA SER 75 16.318 -10.267 -0.740 539 HB2 SER 75 1HB SER 75 18.352 -8.928 -1.211 540 HB3 SER 75 2HB SER 75 17.137 -8.006 -0.325 541 HG SER 75 HG SER 75 18.549 -7.742 1.195 542 H SER 76 H SER 76 17.794 -11.503 -1.969 543 HA SER 76 HA SER 76 19.547 -13.244 -0.361 544 HB2 SER 76 1HB SER 76 17.602 -13.900 -2.543 545 HB3 SER 76 2HB SER 76 19.035 -14.906 -2.335 546 HG SER 76 HG SER 76 16.817 -15.124 -1.024 547 H GLY 77 H GLY 77 21.539 -12.457 -0.753 548 HA2 GLY 77 1HA GLY 77 22.420 -11.185 -3.071 549 HA3 GLY 77 2HA GLY 77 23.466 -11.976 -1.901 Start of MODEL 4 1 H1 GLY 1 H GLY 1 26.947 -8.434 -14.221 2 HA2 GLY 1 1HA GLY 1 25.149 -9.269 -15.884 3 HA3 GLY 1 2HA GLY 1 24.793 -9.435 -14.171 4 H SER 2 H SER 2 22.566 -9.296 -14.493 5 HA SER 2 HA SER 2 21.611 -6.568 -15.012 6 HB2 SER 2 1HB SER 2 21.205 -7.843 -17.059 7 HB3 SER 2 2HB SER 2 20.377 -9.096 -16.135 8 HG SER 2 HG SER 2 19.359 -6.870 -17.159 9 H SER 3 H SER 3 20.359 -5.837 -13.431 10 HA SER 3 HA SER 3 19.086 -7.800 -11.638 11 HB2 SER 3 1HB SER 3 20.231 -5.069 -11.022 12 HB3 SER 3 2HB SER 3 19.248 -5.994 -9.887 13 HG SER 3 HG SER 3 20.971 -7.071 -9.400 14 H GLY 4 H GLY 4 17.256 -6.608 -10.317 15 HA2 GLY 4 1HA GLY 4 15.644 -4.668 -10.725 16 HA3 GLY 4 2HA GLY 4 15.516 -5.351 -12.339 17 H SER 5 H SER 5 13.522 -4.959 -10.141 18 HA SER 5 HA SER 5 12.179 -7.469 -10.465 19 HB2 SER 5 1HB SER 5 13.434 -6.755 -7.837 20 HB3 SER 5 2HB SER 5 11.913 -7.647 -7.861 21 HG SER 5 HG SER 5 13.211 -9.000 -9.495 22 H SER 6 H SER 6 9.989 -7.305 -10.124 23 HA SER 6 HA SER 6 9.016 -4.598 -9.539 24 HB2 SER 6 1HB SER 6 7.709 -6.905 -10.999 25 HB3 SER 6 2HB SER 6 6.921 -5.362 -10.671 26 HG SER 6 HG SER 6 8.103 -5.742 -12.786 27 H GLY 7 H GLY 7 8.268 -4.267 -7.558 28 HA2 GLY 7 1HA GLY 7 6.196 -5.175 -6.244 29 HA3 GLY 7 2HA GLY 7 7.269 -6.546 -6.006 30 H GLN 8 H GLN 8 7.053 -3.037 -5.524 31 HA GLN 8 HA GLN 8 9.173 -3.037 -3.580 32 HB2 GLN 8 1HB GLN 8 7.363 -1.003 -4.780 33 HB3 GLN 8 2HB GLN 8 8.077 -0.632 -3.216 34 HG2 GLN 8 1HG GLN 8 9.734 -1.516 -5.554 35 HG3 GLN 8 2HG GLN 8 9.307 0.173 -5.284 36 HE21 GLN 8 1HE2 GLN 8 11.042 -2.581 -4.016 37 HE22 GLN 8 2HE2 GLN 8 12.076 -1.689 -2.958 38 H TYR 9 H TYR 9 9.007 -3.358 -1.459 39 HA TYR 9 HA TYR 9 6.318 -3.599 -0.304 40 HB2 TYR 9 1HB TYR 9 8.880 -4.574 0.949 41 HB3 TYR 9 2HB TYR 9 7.232 -5.069 1.317 42 HD1 TYR 9 2HD TYR 9 5.978 -5.916 -0.998 43 HD2 TYR 9 1HD TYR 9 10.128 -6.193 -0.101 44 HE1 TYR 9 2HE TYR 9 6.187 -7.796 -2.571 45 HE2 TYR 9 1HE TYR 9 10.349 -8.072 -1.672 46 HH TYR 9 HH TYR 9 9.206 -8.996 -3.609 47 H PHE 10 H PHE 10 5.623 -2.223 1.203 48 HA PHE 10 HA PHE 10 7.594 -0.448 2.485 49 HB2 PHE 10 1HB PHE 10 4.989 0.201 1.162 50 HB3 PHE 10 2HB PHE 10 5.533 1.186 2.516 51 HD1 PHE 10 1HD PHE 10 6.888 -0.235 -0.658 52 HD2 PHE 10 2HD PHE 10 6.754 3.062 2.031 53 HE1 PHE 10 1HE PHE 10 8.318 1.063 -2.183 54 HE2 PHE 10 2HE PHE 10 8.182 4.365 0.510 55 HZ PHE 10 HZ PHE 10 8.965 3.367 -1.601 56 H VAL 11 H VAL 11 7.094 0.270 4.605 57 HA VAL 11 HA VAL 11 5.148 -1.451 5.999 58 HB VAL 11 HB VAL 11 7.534 -1.861 6.592 59 HG11 VAL 11 1HG1 VAL 11 7.749 0.882 6.541 60 HG12 VAL 11 2HG1 VAL 11 7.776 0.508 8.266 61 HG13 VAL 11 3HG1 VAL 11 8.951 -0.239 7.182 62 HG21 VAL 11 1HG2 VAL 11 6.197 -2.603 8.284 63 HG22 VAL 11 2HG2 VAL 11 7.083 -1.349 9.153 64 HG23 VAL 11 3HG2 VAL 11 5.460 -1.022 8.545 65 H ALA 12 H ALA 12 3.558 -0.506 7.115 66 HA ALA 12 HA ALA 12 3.186 2.317 6.976 67 HB1 ALA 12 1HB ALA 12 1.658 0.143 8.390 68 HB2 ALA 12 2HB ALA 12 1.167 1.837 8.389 69 HB3 ALA 12 3HB ALA 12 1.250 0.942 6.872 70 H LEU 13 H LEU 13 4.450 3.616 8.159 71 HA LEU 13 HA LEU 13 5.663 2.939 10.602 72 HB2 LEU 13 1HB LEU 13 5.055 5.638 9.407 73 HB3 LEU 13 2HB LEU 13 6.086 5.379 10.813 74 HG LEU 13 HG LEU 13 6.708 4.095 8.173 75 HD11 LEU 13 1HD1 LEU 13 8.366 6.142 8.091 76 HD12 LEU 13 2HD1 LEU 13 7.070 6.929 8.991 77 HD13 LEU 13 3HD1 LEU 13 6.746 6.241 7.400 78 HD21 LEU 13 1HD2 LEU 13 8.556 3.399 9.197 79 HD22 LEU 13 2HD2 LEU 13 7.813 3.915 10.711 80 HD23 LEU 13 3HD2 LEU 13 8.891 5.007 9.840 81 H PHE 14 H PHE 14 2.636 4.575 9.848 82 HA PHE 14 HA PHE 14 1.868 4.296 12.670 83 HB2 PHE 14 1HB PHE 14 1.162 6.697 10.976 84 HB3 PHE 14 2HB PHE 14 0.824 6.465 12.688 85 HD1 PHE 14 2HD PHE 14 3.462 7.116 10.210 86 HD2 PHE 14 1HD PHE 14 2.474 6.897 14.345 87 HE1 PHE 14 2HE PHE 14 5.590 8.215 10.773 88 HE2 PHE 14 1HE PHE 14 4.600 7.997 14.914 89 HZ PHE 14 HZ PHE 14 6.162 8.656 13.128 90 H ASP 15 H ASP 15 -0.630 4.832 12.811 91 HA ASP 15 HA ASP 15 -1.903 2.981 10.962 92 HB2 ASP 15 1HB ASP 15 -3.893 3.363 12.540 93 HB3 ASP 15 2HB ASP 15 -2.486 2.533 13.198 94 H TYR 16 H TYR 16 -3.437 3.500 9.488 95 HA TYR 16 HA TYR 16 -4.358 6.287 9.368 96 HB2 TYR 16 1HB TYR 16 -2.635 6.291 7.753 97 HB3 TYR 16 2HB TYR 16 -3.070 4.692 7.162 98 HD1 TYR 16 2HD TYR 16 -3.958 8.258 7.115 99 HD2 TYR 16 1HD TYR 16 -4.838 4.399 5.555 100 HE1 TYR 16 2HE TYR 16 -5.332 9.289 5.355 101 HE2 TYR 16 1HE TYR 16 -6.214 5.419 3.789 102 HH TYR 16 HH TYR 16 -7.550 7.949 3.730 103 H GLN 17 H GLN 17 -6.436 6.575 8.679 104 HA GLN 17 HA GLN 17 -7.949 4.134 8.019 105 HB2 GLN 17 1HB GLN 17 -8.550 6.381 9.885 106 HB3 GLN 17 2HB GLN 17 -9.892 5.630 9.032 107 HG2 GLN 17 1HG GLN 17 -7.917 3.947 10.509 108 HG3 GLN 17 2HG GLN 17 -9.217 4.767 11.372 109 HE21 GLN 17 1HE2 GLN 17 -11.421 4.355 10.585 110 HE22 GLN 17 2HE2 GLN 17 -11.797 2.779 9.986 111 H ALA 18 H ALA 18 -9.196 4.163 6.241 112 HA ALA 18 HA ALA 18 -8.877 6.155 4.293 113 HB1 ALA 18 1HB ALA 18 -9.734 4.569 3.002 114 HB2 ALA 18 2HB ALA 18 -10.047 3.599 4.442 115 HB3 ALA 18 3HB ALA 18 -11.289 4.690 3.827 116 H ARG 19 H ARG 19 -9.809 8.073 4.045 117 HA ARG 19 HA ARG 19 -12.027 8.816 5.772 118 HB2 ARG 19 1HB ARG 19 -10.128 10.334 4.011 119 HB3 ARG 19 2HB ARG 19 -11.601 11.095 4.596 120 HG2 ARG 19 1HG ARG 19 -9.741 9.764 6.516 121 HG3 ARG 19 2HG ARG 19 -9.395 11.387 5.915 122 HD2 ARG 19 1HD ARG 19 -12.120 10.801 6.961 123 HD3 ARG 19 2HD ARG 19 -10.801 11.001 8.114 124 HE ARG 19 HE ARG 19 -10.729 13.138 6.310 125 HH11 ARG 19 2HH1 ARG 19 -12.750 11.875 8.848 126 HH12 ARG 19 1HH1 ARG 19 -13.378 13.426 9.298 127 HH21 ARG 19 2HH2 ARG 19 -11.548 15.185 6.893 128 HH22 ARG 19 1HH2 ARG 19 -12.694 15.308 8.185 129 H THR 20 H THR 20 -11.304 8.475 2.337 130 HA THR 20 HA THR 20 -14.144 8.969 1.732 131 HB THR 20 HB THR 20 -13.433 9.363 -0.599 132 HG1 THR 20 1HG THR 20 -11.328 8.088 -0.039 133 HG21 THR 20 1HG2 THR 20 -11.786 11.384 0.149 134 HG22 THR 20 2HG2 THR 20 -12.554 10.997 1.688 135 HG23 THR 20 3HG2 THR 20 -13.542 11.434 0.294 136 H ALA 21 H ALA 21 -14.751 7.751 -0.425 137 HA ALA 21 HA ALA 21 -14.772 4.992 0.195 138 HB1 ALA 21 1HB ALA 21 -16.158 6.703 -1.542 139 HB2 ALA 21 2HB ALA 21 -15.430 5.458 -2.557 140 HB3 ALA 21 3HB ALA 21 -16.483 5.000 -1.218 141 H GLU 22 H GLU 22 -13.009 6.889 -2.227 142 HA GLU 22 HA GLU 22 -11.623 4.538 -3.201 143 HB2 GLU 22 1HB GLU 22 -11.398 7.466 -3.905 144 HB3 GLU 22 2HB GLU 22 -10.430 6.206 -4.655 145 HG2 GLU 22 1HG GLU 22 -12.346 6.846 -6.030 146 HG3 GLU 22 2HG GLU 22 -12.413 5.154 -5.541 147 H ASP 23 H ASP 23 -10.675 4.017 -1.099 148 HA ASP 23 HA ASP 23 -7.982 4.878 -0.932 149 HB2 ASP 23 1HB ASP 23 -9.966 6.118 0.917 150 HB3 ASP 23 2HB ASP 23 -8.394 5.670 1.573 151 H LEU 24 H LEU 24 -6.766 3.710 0.668 152 HA LEU 24 HA LEU 24 -8.176 1.299 1.599 153 HB2 LEU 24 1HB LEU 24 -6.421 0.939 -0.099 154 HB3 LEU 24 2HB LEU 24 -5.243 1.659 0.997 155 HG LEU 24 HG LEU 24 -5.848 -0.223 2.613 156 HD11 LEU 24 1HD1 LEU 24 -7.695 -0.787 0.536 157 HD12 LEU 24 2HD1 LEU 24 -7.442 -1.654 2.050 158 HD13 LEU 24 3HD1 LEU 24 -6.533 -2.112 0.610 159 HD21 LEU 24 1HD2 LEU 24 -4.281 -1.737 1.584 160 HD22 LEU 24 2HD2 LEU 24 -3.751 -0.077 1.306 161 HD23 LEU 24 3HD2 LEU 24 -4.531 -0.983 0.009 162 H SER 25 H SER 25 -7.724 0.470 3.660 163 HA SER 25 HA SER 25 -6.589 2.451 5.518 164 HB2 SER 25 1HB SER 25 -7.986 1.418 7.250 165 HB3 SER 25 2HB SER 25 -8.973 1.938 5.884 166 HG SER 25 HG SER 25 -7.983 -0.701 6.096 167 H PHE 26 H PHE 26 -5.398 1.648 7.364 168 HA PHE 26 HA PHE 26 -4.515 -1.040 7.539 169 HB2 PHE 26 1HB PHE 26 -2.136 -0.648 6.923 170 HB3 PHE 26 2HB PHE 26 -3.234 -0.516 5.553 171 HD1 PHE 26 1HD PHE 26 -3.731 1.665 4.565 172 HD2 PHE 26 2HD PHE 26 -0.909 1.240 7.723 173 HE1 PHE 26 1HE PHE 26 -2.835 3.900 4.060 174 HE2 PHE 26 2HE PHE 26 -0.009 3.474 7.224 175 HZ PHE 26 HZ PHE 26 -0.972 4.808 5.391 176 H ARG 27 H ARG 27 -2.589 -1.208 9.085 177 HA ARG 27 HA ARG 27 -2.639 1.015 11.014 178 HB2 ARG 27 1HB ARG 27 -2.649 -1.921 11.730 179 HB3 ARG 27 2HB ARG 27 -2.694 -0.568 12.852 180 HG2 ARG 27 1HG ARG 27 -4.872 0.068 11.590 181 HG3 ARG 27 2HG ARG 27 -4.841 -1.617 11.067 182 HD2 ARG 27 1HD ARG 27 -4.453 -1.023 13.955 183 HD3 ARG 27 2HD ARG 27 -6.075 -0.872 13.282 184 HE ARG 27 HE ARG 27 -6.167 -3.161 13.044 185 HH11 ARG 27 2HH1 ARG 27 -2.925 -2.179 13.848 186 HH12 ARG 27 1HH1 ARG 27 -2.373 -3.793 14.153 187 HH21 ARG 27 2HH2 ARG 27 -5.451 -5.290 13.442 188 HH22 ARG 27 1HH2 ARG 27 -3.810 -5.562 13.921 189 H ALA 28 H ALA 28 -0.778 1.080 12.463 190 HA ALA 28 HA ALA 28 1.649 1.115 11.229 191 HB1 ALA 28 1HB ALA 28 1.442 0.387 14.133 192 HB2 ALA 28 2HB ALA 28 2.643 1.398 13.328 193 HB3 ALA 28 3HB ALA 28 0.995 1.988 13.542 194 H GLY 29 H GLY 29 2.829 -0.411 10.289 195 HA2 GLY 29 1HA GLY 29 4.213 -2.365 10.505 196 HA3 GLY 29 2HA GLY 29 3.010 -3.047 11.590 197 H ASP 30 H ASP 30 0.739 -2.382 9.944 198 HA ASP 30 HA ASP 30 0.297 -4.654 8.546 199 HB2 ASP 30 1HB ASP 30 -0.715 -1.863 8.166 200 HB3 ASP 30 2HB ASP 30 -1.164 -3.104 6.999 201 H LYS 31 H LYS 31 1.572 -5.614 7.106 202 HA LYS 31 HA LYS 31 3.400 -4.260 5.428 203 HB2 LYS 31 1HB LYS 31 2.314 -7.064 5.114 204 HB3 LYS 31 2HB LYS 31 3.792 -6.432 4.402 205 HG2 LYS 31 1HG LYS 31 3.339 -6.586 7.369 206 HG3 LYS 31 2HG LYS 31 4.081 -7.885 6.432 207 HD2 LYS 31 1HD LYS 31 5.872 -6.419 5.742 208 HD3 LYS 31 2HD LYS 31 5.097 -5.045 6.533 209 HE2 LYS 31 1HE LYS 31 6.032 -7.527 7.967 210 HE3 LYS 31 2HE LYS 31 6.981 -6.048 7.825 211 HZ1 LYS 31 1HZ LYS 31 5.906 -5.225 9.558 212 HZ2 LYS 31 2HZ LYS 31 5.018 -6.656 9.712 213 HZ3 LYS 31 3HZ LYS 31 4.421 -5.389 8.764 214 H LEU 32 H LEU 32 3.053 -3.207 3.594 215 HA LEU 32 HA LEU 32 0.770 -3.993 1.915 216 HB2 LEU 32 1HB LEU 32 1.621 -1.176 2.572 217 HB3 LEU 32 2HB LEU 32 0.379 -1.618 1.401 218 HG LEU 32 HG LEU 32 0.060 -2.522 4.222 219 HD11 LEU 32 1HD1 LEU 32 -0.782 -0.475 4.984 220 HD12 LEU 32 2HD1 LEU 32 -0.799 0.223 3.365 221 HD13 LEU 32 3HD1 LEU 32 0.736 -0.064 4.185 222 HD21 LEU 32 1HD2 LEU 32 -1.958 -1.447 2.268 223 HD22 LEU 32 2HD2 LEU 32 -2.246 -2.418 3.712 224 HD23 LEU 32 3HD2 LEU 32 -1.466 -3.140 2.304 225 H GLN 33 H GLN 33 1.142 -4.044 -0.247 226 HA GLN 33 HA GLN 33 3.894 -3.506 -1.105 227 HB2 GLN 33 1HB GLN 33 3.086 -5.784 -1.472 228 HB3 GLN 33 2HB GLN 33 1.727 -5.167 -2.402 229 HG2 GLN 33 1HG GLN 33 3.598 -4.096 -3.874 230 HG3 GLN 33 2HG GLN 33 4.605 -5.344 -3.141 231 HE21 GLN 33 1HE2 GLN 33 2.826 -7.420 -2.947 232 HE22 GLN 33 2HE2 GLN 33 2.368 -7.941 -4.530 233 H VAL 34 H VAL 34 4.316 -1.784 -2.308 234 HA VAL 34 HA VAL 34 2.171 -0.139 -3.313 235 HB VAL 34 HB VAL 34 5.169 0.182 -3.483 236 HG11 VAL 34 1HG1 VAL 34 2.943 2.000 -4.381 237 HG12 VAL 34 2HG1 VAL 34 4.601 2.546 -4.119 238 HG13 VAL 34 3HG1 VAL 34 4.255 1.333 -5.352 239 HG21 VAL 34 1HG2 VAL 34 3.842 2.201 -1.974 240 HG22 VAL 34 2HG2 VAL 34 3.321 0.622 -1.386 241 HG23 VAL 34 3HG2 VAL 34 5.038 1.024 -1.432 242 H LEU 35 H LEU 35 1.302 -0.292 -5.266 243 HA LEU 35 HA LEU 35 2.739 -1.788 -7.342 244 HB2 LEU 35 1HB LEU 35 -0.124 -0.964 -7.558 245 HB3 LEU 35 2HB LEU 35 0.698 -2.344 -8.284 246 HG LEU 35 HG LEU 35 0.289 -2.207 -5.320 247 HD11 LEU 35 1HD1 LEU 35 -1.831 -3.287 -5.510 248 HD12 LEU 35 2HD1 LEU 35 -1.700 -3.356 -7.268 249 HD13 LEU 35 3HD1 LEU 35 -1.894 -1.801 -6.458 250 HD21 LEU 35 1HD2 LEU 35 -0.037 -4.785 -6.375 251 HD22 LEU 35 2HD2 LEU 35 1.333 -4.160 -5.456 252 HD23 LEU 35 3HD2 LEU 35 1.343 -4.082 -7.218 253 H ASP 36 H ASP 36 0.705 1.116 -6.985 254 HA ASP 36 HA ASP 36 1.981 2.217 -9.396 255 HB2 ASP 36 1HB ASP 36 -0.631 1.983 -9.030 256 HB3 ASP 36 2HB ASP 36 -0.414 3.491 -8.145 257 H THR 37 H THR 37 3.200 4.012 -9.296 258 HA THR 37 HA THR 37 3.211 5.567 -6.802 259 HB THR 37 HB THR 37 5.719 5.762 -7.036 260 HG1 THR 37 1HG THR 37 5.580 4.803 -9.272 261 HG21 THR 37 1HG2 THR 37 4.538 3.043 -6.461 262 HG22 THR 37 2HG2 THR 37 4.764 4.361 -5.312 263 HG23 THR 37 3HG2 THR 37 6.165 3.548 -6.009 264 H SER 38 H SER 38 1.867 6.326 -9.093 265 HA SER 38 HA SER 38 3.505 8.058 -10.700 266 HB2 SER 38 1HB SER 38 0.620 7.333 -10.581 267 HB3 SER 38 2HB SER 38 1.035 8.879 -11.320 268 HG SER 38 HG SER 38 1.152 7.449 -12.958 269 H HIS 39 H HIS 39 0.911 8.596 -8.316 270 HA HIS 39 HA HIS 39 1.354 11.421 -8.225 271 HB2 HIS 39 1HB HIS 39 -0.781 9.981 -7.625 272 HB3 HIS 39 2HB HIS 39 -0.056 9.979 -6.020 273 HD1 HIS 39 1HD HIS 39 -2.186 11.387 -5.291 274 HD2 HIS 39 2HD HIS 39 0.403 13.285 -7.928 275 HE1 HIS 39 1HE HIS 39 -2.800 13.824 -5.199 276 HE2 HIS 39 2HE HIS 39 -1.277 14.940 -6.866 277 H GLU 40 H GLU 40 2.278 12.647 -6.573 278 HA GLU 40 HA GLU 40 4.368 11.256 -5.093 279 HB2 GLU 40 1HB GLU 40 5.227 13.533 -4.629 280 HB3 GLU 40 2HB GLU 40 5.060 13.202 -6.347 281 HG2 GLU 40 1HG GLU 40 2.910 14.425 -6.329 282 HG3 GLU 40 2HG GLU 40 3.200 14.838 -4.640 283 H GLY 41 H GLY 41 2.023 10.555 -4.015 284 HA2 GLY 41 1HA GLY 41 2.262 11.369 -1.323 285 HA3 GLY 41 2HA GLY 41 0.907 12.211 -2.060 286 H TRP 42 H TRP 42 -0.153 10.303 -3.707 287 HA TRP 42 HA TRP 42 -1.030 8.265 -1.771 288 HB2 TRP 42 1HB TRP 42 -2.503 9.467 -4.125 289 HB3 TRP 42 2HB TRP 42 -3.121 8.161 -3.117 290 HD1 TRP 42 HD TRP 42 -2.667 11.919 -3.191 291 HE1 TRP 42 1HE TRP 42 -3.821 12.952 -1.135 292 HE3 TRP 42 3HE TRP 42 -3.712 7.633 -0.608 293 HZ2 TRP 42 2HZ TRP 42 -5.016 12.066 1.265 294 HZ3 TRP 42 3HZ TRP 42 -4.862 7.812 1.560 295 HH2 TRP 42 HH TRP 42 -5.499 9.984 2.475 296 H TRP 43 H TRP 43 -0.278 6.298 -2.152 297 HA TRP 43 HA TRP 43 0.322 5.530 -4.931 298 HB2 TRP 43 1HB TRP 43 1.507 4.564 -2.324 299 HB3 TRP 43 2HB TRP 43 1.826 3.804 -3.881 300 HD1 TRP 43 HD TRP 43 1.872 6.956 -5.208 301 HE1 TRP 43 1HE TRP 43 4.132 8.177 -5.031 302 HE3 TRP 43 3HE TRP 43 4.018 4.159 -1.506 303 HZ2 TRP 43 2HZ TRP 43 6.509 7.979 -3.522 304 HZ3 TRP 43 3HZ TRP 43 6.287 4.740 -0.753 305 HH2 TRP 43 HH TRP 43 7.505 6.610 -1.742 306 H LEU 44 H LEU 44 -0.427 3.596 -5.743 307 HA LEU 44 HA LEU 44 -2.725 2.480 -4.365 308 HB2 LEU 44 1HB LEU 44 -2.925 3.007 -6.721 309 HB3 LEU 44 2HB LEU 44 -1.569 1.947 -7.098 310 HG LEU 44 HG LEU 44 -3.002 0.046 -6.204 311 HD11 LEU 44 1HD1 LEU 44 -4.739 0.955 -5.020 312 HD12 LEU 44 2HD1 LEU 44 -5.514 0.691 -6.581 313 HD13 LEU 44 3HD1 LEU 44 -4.946 2.301 -6.140 314 HD21 LEU 44 1HD2 LEU 44 -2.564 0.681 -8.636 315 HD22 LEU 44 2HD2 LEU 44 -4.176 1.396 -8.617 316 HD23 LEU 44 3HD2 LEU 44 -3.972 -0.328 -8.306 317 H ALA 45 H ALA 45 -2.073 1.148 -2.750 318 HA ALA 45 HA ALA 45 -0.258 -1.059 -3.474 319 HB1 ALA 45 1HB ALA 45 -0.796 0.031 -0.715 320 HB2 ALA 45 2HB ALA 45 0.382 -1.207 -1.155 321 HB3 ALA 45 3HB ALA 45 0.596 0.453 -1.712 322 H ARG 46 H ARG 46 -0.665 -3.101 -2.231 323 HA ARG 46 HA ARG 46 -3.543 -3.508 -1.759 324 HB2 ARG 46 1HB ARG 46 -3.502 -5.589 -2.905 325 HB3 ARG 46 2HB ARG 46 -2.722 -4.424 -3.966 326 HG2 ARG 46 1HG ARG 46 -0.558 -5.270 -3.424 327 HG3 ARG 46 2HG ARG 46 -1.223 -6.299 -2.154 328 HD2 ARG 46 1HD ARG 46 -2.589 -7.412 -3.986 329 HD3 ARG 46 2HD ARG 46 -1.553 -6.560 -5.131 330 HE ARG 46 HE ARG 46 -0.095 -8.066 -3.168 331 HH11 ARG 46 2HH1 ARG 46 -1.720 -8.202 -6.244 332 HH12 ARG 46 1HH1 ARG 46 -0.821 -9.573 -6.805 333 HH21 ARG 46 2HH2 ARG 46 1.095 -9.871 -3.895 334 HH22 ARG 46 1HH2 ARG 46 0.779 -10.522 -5.468 335 H HIS 47 H HIS 47 -4.109 -4.973 -0.150 336 HA HIS 47 HA HIS 47 -2.353 -5.173 2.040 337 HB2 HIS 47 1HB HIS 47 -5.056 -6.225 1.377 338 HB3 HIS 47 2HB HIS 47 -4.189 -7.002 2.698 339 HD1 HIS 47 1HD HIS 47 -3.192 -5.086 4.500 340 HD2 HIS 47 2HD HIS 47 -6.542 -4.145 2.229 341 HE1 HIS 47 1HE HIS 47 -4.315 -3.190 5.712 342 HE2 HIS 47 2HE HIS 47 -6.385 -2.694 4.365 343 H LEU 48 H LEU 48 -0.837 -6.615 2.550 344 HA LEU 48 HA LEU 48 -0.521 -8.960 0.824 345 HB2 LEU 48 1HB LEU 48 1.400 -7.755 2.809 346 HB3 LEU 48 2HB LEU 48 1.750 -9.072 1.692 347 HG LEU 48 HG LEU 48 1.028 -6.280 0.813 348 HD11 LEU 48 1HD1 LEU 48 3.304 -6.890 2.154 349 HD12 LEU 48 2HD1 LEU 48 3.169 -5.624 0.934 350 HD13 LEU 48 3HD1 LEU 48 3.791 -7.213 0.490 351 HD21 LEU 48 1HD2 LEU 48 2.616 -7.970 -0.943 352 HD22 LEU 48 2HD2 LEU 48 1.156 -7.040 -1.281 353 HD23 LEU 48 3HD2 LEU 48 1.032 -8.655 -0.582 354 H GLU 49 H GLU 49 -1.073 -8.023 4.143 355 HA GLU 49 HA GLU 49 -0.596 -10.589 5.286 356 HB2 GLU 49 1HB GLU 49 -2.025 -8.125 6.266 357 HB3 GLU 49 2HB GLU 49 -1.944 -9.598 7.222 358 HG2 GLU 49 1HG GLU 49 0.584 -9.439 6.940 359 HG3 GLU 49 2HG GLU 49 0.294 -7.793 6.381 360 H LYS 50 H LYS 50 -1.775 -12.010 3.928 361 HA LYS 50 HA LYS 50 -4.363 -12.640 4.876 362 HB2 LYS 50 1HB LYS 50 -4.920 -10.690 3.418 363 HB3 LYS 50 2HB LYS 50 -4.278 -11.582 2.045 364 HG2 LYS 50 1HG LYS 50 -6.673 -11.756 2.068 365 HG3 LYS 50 2HG LYS 50 -5.970 -13.334 2.430 366 HD2 LYS 50 1HD LYS 50 -6.367 -12.965 4.815 367 HD3 LYS 50 2HD LYS 50 -7.056 -11.380 4.459 368 HE2 LYS 50 1HE LYS 50 -8.781 -12.513 3.070 369 HE3 LYS 50 2HE LYS 50 -8.133 -14.063 3.603 370 HZ1 LYS 50 1HZ LYS 50 -9.182 -11.978 5.436 371 HZ2 LYS 50 2HZ LYS 50 -8.708 -13.548 5.850 372 HZ3 LYS 50 3HZ LYS 50 -10.081 -13.304 4.891 373 H LYS 51 H LYS 51 -4.950 -14.706 4.329 374 HA LYS 51 HA LYS 51 -3.059 -16.154 2.598 375 HB2 LYS 51 1HB LYS 51 -4.468 -16.865 5.122 376 HB3 LYS 51 2HB LYS 51 -4.188 -18.152 3.956 377 HG2 LYS 51 1HG LYS 51 -2.030 -16.362 5.050 378 HG3 LYS 51 2HG LYS 51 -2.433 -17.953 5.699 379 HD2 LYS 51 1HD LYS 51 -2.024 -18.857 3.368 380 HD3 LYS 51 2HD LYS 51 -1.337 -17.278 2.976 381 HE2 LYS 51 1HE LYS 51 0.322 -17.543 4.733 382 HE3 LYS 51 2HE LYS 51 -0.391 -19.087 5.199 383 HZ1 LYS 51 1HZ LYS 51 1.350 -19.727 3.864 384 HZ2 LYS 51 2HZ LYS 51 1.182 -18.421 2.803 385 HZ3 LYS 51 3HZ LYS 51 0.079 -19.703 2.748 386 H GLY 52 H GLY 52 -4.300 -15.565 0.715 387 HA2 GLY 52 1HA GLY 52 -5.913 -17.508 -0.318 388 HA3 GLY 52 2HA GLY 52 -7.037 -16.416 0.476 389 H THR 53 H THR 53 -7.015 -16.950 -2.296 390 HA THR 53 HA THR 53 -6.242 -14.303 -3.339 391 HB THR 53 HB THR 53 -5.900 -15.349 -5.553 392 HG1 THR 53 1HG THR 53 -5.570 -17.798 -5.263 393 HG21 THR 53 1HG2 THR 53 -4.217 -16.673 -3.425 394 HG22 THR 53 2HG2 THR 53 -4.014 -15.004 -3.958 395 HG23 THR 53 3HG2 THR 53 -3.753 -16.330 -5.091 396 H GLY 54 H GLY 54 -7.723 -13.216 -4.562 397 HA2 GLY 54 1HA GLY 54 -9.716 -13.693 -6.123 398 HA3 GLY 54 2HA GLY 54 -10.404 -14.428 -4.683 399 H LEU 55 H LEU 55 -10.803 -11.869 -6.480 400 HA LEU 55 HA LEU 55 -10.497 -9.526 -5.210 401 HB2 LEU 55 1HB LEU 55 -12.951 -10.589 -6.579 402 HB3 LEU 55 2HB LEU 55 -12.834 -8.924 -6.014 403 HG LEU 55 HG LEU 55 -10.847 -10.092 -7.943 404 HD11 LEU 55 1HD1 LEU 55 -12.331 -8.687 -9.594 405 HD12 LEU 55 2HD1 LEU 55 -13.603 -9.085 -8.439 406 HD13 LEU 55 3HD1 LEU 55 -12.707 -10.374 -9.243 407 HD21 LEU 55 1HD2 LEU 55 -10.525 -7.902 -6.595 408 HD22 LEU 55 2HD2 LEU 55 -11.710 -7.236 -7.719 409 HD23 LEU 55 3HD2 LEU 55 -10.196 -7.904 -8.328 410 H GLY 56 H GLY 56 -11.247 -8.444 -3.451 411 HA2 GLY 56 1HA GLY 56 -13.255 -9.812 -1.777 412 HA3 GLY 56 2HA GLY 56 -11.757 -9.215 -1.078 413 H GLN 57 H GLN 57 -11.745 -7.212 -0.280 414 HA GLN 57 HA GLN 57 -13.848 -5.351 -1.161 415 HB2 GLN 57 1HB GLN 57 -12.970 -6.000 1.646 416 HB3 GLN 57 2HB GLN 57 -13.820 -4.511 1.253 417 HG2 GLN 57 1HG GLN 57 -15.773 -5.640 0.664 418 HG3 GLN 57 2HG GLN 57 -14.940 -7.185 0.507 419 HE21 GLN 57 1HE2 GLN 57 -16.816 -5.255 2.486 420 HE22 GLN 57 2HE2 GLN 57 -16.621 -6.125 3.965 421 H GLN 58 H GLN 58 -12.472 -4.183 -2.478 422 HA GLN 58 HA GLN 58 -10.710 -2.831 -3.071 423 HB2 GLN 58 1HB GLN 58 -12.413 -1.484 -1.607 424 HB3 GLN 58 2HB GLN 58 -11.103 -1.467 -0.434 425 HG2 GLN 58 1HG GLN 58 -9.755 -0.148 -1.754 426 HG3 GLN 58 2HG GLN 58 -10.578 -0.614 -3.241 427 HE21 GLN 58 1HE2 GLN 58 -11.188 1.053 -0.173 428 HE22 GLN 58 2HE2 GLN 58 -12.212 2.274 -0.842 429 H LEU 59 H LEU 59 -9.693 -5.146 -2.000 430 HA LEU 59 HA LEU 59 -8.009 -5.034 0.163 431 HB2 LEU 59 1HB LEU 59 -6.593 -6.684 -1.049 432 HB3 LEU 59 2HB LEU 59 -8.309 -7.082 -1.006 433 HG LEU 59 HG LEU 59 -7.238 -5.671 -3.400 434 HD11 LEU 59 1HD1 LEU 59 -5.592 -7.295 -3.365 435 HD12 LEU 59 2HD1 LEU 59 -6.861 -8.062 -4.318 436 HD13 LEU 59 3HD1 LEU 59 -6.648 -8.497 -2.623 437 HD21 LEU 59 1HD2 LEU 59 -9.389 -6.017 -3.896 438 HD22 LEU 59 2HD2 LEU 59 -9.588 -7.209 -2.611 439 HD23 LEU 59 3HD2 LEU 59 -8.919 -7.695 -4.170 440 H GLN 60 H GLN 60 -7.766 -3.288 -2.770 441 HA GLN 60 HA GLN 60 -5.208 -2.168 -1.877 442 HB2 GLN 60 1HB GLN 60 -4.300 -2.186 -4.115 443 HB3 GLN 60 2HB GLN 60 -4.756 -3.824 -3.668 444 HG2 GLN 60 1HG GLN 60 -6.751 -3.686 -5.001 445 HG3 GLN 60 2HG GLN 60 -6.438 -1.989 -5.357 446 HE21 GLN 60 1HE2 GLN 60 -5.707 -1.687 -7.323 447 HE22 GLN 60 2HE2 GLN 60 -4.670 -2.749 -8.206 448 H GLY 61 H GLY 61 -5.021 0.009 -2.108 449 HA2 GLY 61 1HA GLY 61 -6.724 1.500 -3.892 450 HA3 GLY 61 2HA GLY 61 -7.170 1.671 -2.200 451 H TYR 62 H TYR 62 -6.681 3.960 -2.641 452 HA TYR 62 HA TYR 62 -3.905 4.676 -3.011 453 HB2 TYR 62 1HB TYR 62 -6.400 6.304 -2.525 454 HB3 TYR 62 2HB TYR 62 -4.800 7.022 -2.664 455 HD1 TYR 62 2HD TYR 62 -3.523 5.748 -4.850 456 HD2 TYR 62 1HD TYR 62 -7.647 6.706 -4.419 457 HE1 TYR 62 2HE TYR 62 -3.760 5.807 -7.297 458 HE2 TYR 62 1HE TYR 62 -7.895 6.766 -6.865 459 HH TYR 62 HH TYR 62 -6.813 6.737 -8.827 460 H ILE 63 H ILE 63 -2.464 5.122 -1.467 461 HA ILE 63 HA ILE 63 -3.402 5.682 1.253 462 HB ILE 63 HB ILE 63 -1.784 4.157 2.236 463 HG12 ILE 63 1HG1 ILE 63 -1.252 3.029 -0.505 464 HG13 ILE 63 2HG1 ILE 63 -0.246 4.302 0.177 465 HG21 ILE 63 1HG2 ILE 63 -2.824 2.004 1.534 466 HG22 ILE 63 2HG2 ILE 63 -3.984 3.276 1.913 467 HG23 ILE 63 3HG2 ILE 63 -3.631 2.876 0.232 468 HD11 ILE 63 1HD1 ILE 63 -0.283 1.456 0.731 469 HD12 ILE 63 2HD1 ILE 63 0.972 2.657 1.037 470 HD13 ILE 63 3HD1 ILE 63 -0.342 2.440 2.192 471 HA PRO 64 HA PRO 64 -0.306 8.805 1.160 472 HB2 PRO 64 1HB PRO 64 0.096 9.122 3.826 473 HB3 PRO 64 2HB PRO 64 -1.356 9.697 2.999 474 HG2 PRO 64 1HG PRO 64 -0.953 7.201 4.602 475 HG3 PRO 64 2HG PRO 64 -2.323 8.327 4.609 476 HD2 PRO 64 1HD PRO 64 -2.379 5.972 3.274 477 HD3 PRO 64 2HD PRO 64 -3.246 7.413 2.705 478 H SER 65 H SER 65 1.773 8.584 0.655 479 HA SER 65 HA SER 65 3.316 6.327 1.396 480 HB2 SER 65 1HB SER 65 5.072 7.291 0.116 481 HB3 SER 65 2HB SER 65 3.580 7.760 -0.697 482 HG SER 65 HG SER 65 3.849 9.794 -0.067 483 H ASN 66 H ASN 66 3.398 9.727 2.419 484 HA ASN 66 HA ASN 66 5.584 9.725 4.071 485 HB2 ASN 66 1HB ASN 66 2.982 11.079 4.794 486 HB3 ASN 66 2HB ASN 66 4.615 11.591 5.212 487 HD21 ASN 66 1HD2 ASN 66 5.830 12.699 3.738 488 HD22 ASN 66 2HD2 ASN 66 5.199 13.289 2.242 489 H TYR 67 H TYR 67 2.466 8.266 4.625 490 HA TYR 67 HA TYR 67 2.806 7.837 7.425 491 HB2 TYR 67 1HB TYR 67 0.887 6.900 5.339 492 HB3 TYR 67 2HB TYR 67 0.964 6.018 6.860 493 HD1 TYR 67 1HD TYR 67 0.961 9.620 5.836 494 HD2 TYR 67 2HD TYR 67 -0.673 6.610 8.359 495 HE1 TYR 67 1HE TYR 67 -0.507 11.297 6.875 496 HE2 TYR 67 2HE TYR 67 -2.147 8.278 9.405 497 HH TYR 67 HH TYR 67 -2.846 10.386 9.387 498 H VAL 68 H VAL 68 3.635 6.064 4.531 499 HA VAL 68 HA VAL 68 4.666 3.855 6.182 500 HB VAL 68 HB VAL 68 4.705 2.519 4.108 501 HG11 VAL 68 1HG1 VAL 68 2.738 1.886 4.939 502 HG12 VAL 68 2HG1 VAL 68 2.342 3.530 5.446 503 HG13 VAL 68 3HG1 VAL 68 1.993 3.005 3.798 504 HG21 VAL 68 1HG2 VAL 68 4.986 4.079 2.383 505 HG22 VAL 68 2HG2 VAL 68 3.340 3.483 2.171 506 HG23 VAL 68 3HG2 VAL 68 3.618 5.054 2.921 507 H ALA 69 H ALA 69 6.555 2.720 4.789 508 HA ALA 69 HA ALA 69 8.356 4.554 3.514 509 HB1 ALA 69 1HB ALA 69 9.174 3.479 6.209 510 HB2 ALA 69 2HB ALA 69 10.122 4.520 5.146 511 HB3 ALA 69 3HB ALA 69 8.655 5.137 5.905 512 H GLU 70 H GLU 70 10.452 3.481 2.966 513 HA GLU 70 HA GLU 70 9.938 0.854 1.968 514 HB2 GLU 70 1HB GLU 70 12.229 2.771 1.836 515 HB3 GLU 70 2HB GLU 70 12.498 1.091 1.394 516 HG2 GLU 70 1HG GLU 70 10.508 1.362 -0.175 517 HG3 GLU 70 2HG GLU 70 10.685 3.094 0.099 518 H ASP 71 H ASP 71 9.922 -0.832 3.306 519 HA ASP 71 HA ASP 71 11.779 -0.933 5.556 520 HB2 ASP 71 1HB ASP 71 9.210 -1.564 5.539 521 HB3 ASP 71 2HB ASP 71 9.824 -3.119 4.984 522 H SER 72 H SER 72 12.937 -2.966 6.002 523 HA SER 72 HA SER 72 14.370 -3.817 3.662 524 HB2 SER 72 1HB SER 72 15.844 -4.943 5.166 525 HB3 SER 72 2HB SER 72 15.393 -3.430 5.953 526 HG SER 72 HG SER 72 14.231 -4.503 7.400 527 H GLY 73 H GLY 73 14.570 -5.952 2.881 528 HA2 GLY 73 1HA GLY 73 12.195 -7.609 3.437 529 HA3 GLY 73 2HA GLY 73 13.078 -7.596 1.918 530 HA PRO 74 HA PRO 74 15.692 -10.068 5.190 531 HB2 PRO 74 1HB PRO 74 14.276 -10.985 7.317 532 HB3 PRO 74 2HB PRO 74 15.128 -9.436 7.325 533 HG2 PRO 74 1HG PRO 74 12.224 -9.998 6.866 534 HG3 PRO 74 2HG PRO 74 12.976 -8.718 7.835 535 HD2 PRO 74 1HD PRO 74 12.007 -8.280 5.345 536 HD3 PRO 74 2HD PRO 74 13.407 -7.402 5.993 537 H SER 75 H SER 75 12.850 -10.638 3.626 538 HA SER 75 HA SER 75 12.201 -13.291 4.188 539 HB2 SER 75 1HB SER 75 12.041 -11.991 1.462 540 HB3 SER 75 2HB SER 75 11.055 -13.321 2.072 541 HG SER 75 HG SER 75 10.639 -10.691 2.303 542 H SER 76 H SER 76 13.223 -15.149 3.866 543 HA SER 76 HA SER 76 15.599 -15.155 2.139 544 HB2 SER 76 1HB SER 76 14.784 -16.999 4.396 545 HB3 SER 76 2HB SER 76 16.221 -17.225 3.399 546 HG SER 76 HG SER 76 17.088 -16.014 4.898 547 H GLY 77 H GLY 77 16.041 -17.530 1.302 548 HA2 GLY 77 1HA GLY 77 15.021 -19.528 0.395 549 HA3 GLY 77 2HA GLY 77 13.529 -18.618 0.205 Start of MODEL 5 1 H1 GLY 1 H GLY 1 19.201 -17.899 -18.877 2 HA2 GLY 1 1HA GLY 1 20.453 -15.557 -17.966 3 HA3 GLY 1 2HA GLY 1 19.178 -15.096 -19.085 4 H SER 2 H SER 2 18.956 -14.189 -16.578 5 HA SER 2 HA SER 2 16.659 -15.697 -15.574 6 HB2 SER 2 1HB SER 2 19.168 -15.106 -14.079 7 HB3 SER 2 2HB SER 2 17.643 -14.970 -13.204 8 HG SER 2 HG SER 2 17.849 -17.053 -13.001 9 H SER 3 H SER 3 14.979 -14.425 -15.109 10 HA SER 3 HA SER 3 15.475 -11.552 -14.687 11 HB2 SER 3 1HB SER 3 14.548 -12.239 -17.002 12 HB3 SER 3 2HB SER 3 13.042 -12.563 -16.144 13 HG SER 3 HG SER 3 14.316 -10.111 -15.717 14 H GLY 4 H GLY 4 15.039 -11.278 -12.582 15 HA2 GLY 4 1HA GLY 4 12.778 -12.691 -11.377 16 HA3 GLY 4 2HA GLY 4 14.020 -11.797 -10.514 17 H SER 5 H SER 5 11.564 -11.348 -9.667 18 HA SER 5 HA SER 5 10.903 -8.703 -10.777 19 HB2 SER 5 1HB SER 5 8.957 -10.808 -9.806 20 HB3 SER 5 2HB SER 5 8.516 -9.156 -10.236 21 HG SER 5 HG SER 5 8.308 -9.953 -12.168 22 H SER 6 H SER 6 11.506 -7.261 -9.306 23 HA SER 6 HA SER 6 10.599 -7.611 -6.547 24 HB2 SER 6 1HB SER 6 13.005 -8.380 -6.761 25 HB3 SER 6 2HB SER 6 13.418 -6.716 -7.171 26 HG SER 6 HG SER 6 13.575 -7.381 -4.875 27 H GLY 7 H GLY 7 9.249 -5.936 -6.349 28 HA2 GLY 7 1HA GLY 7 9.885 -3.387 -7.621 29 HA3 GLY 7 2HA GLY 7 8.366 -3.814 -6.847 30 H GLN 8 H GLN 8 8.267 -1.941 -5.617 31 HA GLN 8 HA GLN 8 10.386 -1.603 -3.605 32 HB2 GLN 8 1HB GLN 8 8.331 0.364 -4.625 33 HB3 GLN 8 2HB GLN 8 9.466 0.695 -3.323 34 HG2 GLN 8 1HG GLN 8 11.263 0.829 -4.732 35 HG3 GLN 8 2HG GLN 8 10.527 -0.215 -5.947 36 HE21 GLN 8 1HE2 GLN 8 10.006 2.929 -4.388 37 HE22 GLN 8 2HE2 GLN 8 9.509 3.751 -5.824 38 H TYR 9 H TYR 9 9.898 -2.558 -1.745 39 HA TYR 9 HA TYR 9 7.104 -2.777 -0.916 40 HB2 TYR 9 1HB TYR 9 9.519 -3.980 0.438 41 HB3 TYR 9 2HB TYR 9 7.832 -4.439 0.645 42 HD1 TYR 9 2HD TYR 9 6.799 -4.776 -1.999 43 HD2 TYR 9 1HD TYR 9 10.680 -5.720 -0.534 44 HE1 TYR 9 2HE TYR 9 7.043 -6.477 -3.758 45 HE2 TYR 9 1HE TYR 9 10.935 -7.423 -2.290 46 HH TYR 9 HH TYR 9 9.899 -7.787 -4.665 47 H PHE 10 H PHE 10 6.255 -1.730 0.794 48 HA PHE 10 HA PHE 10 8.067 -0.085 2.432 49 HB2 PHE 10 1HB PHE 10 5.512 0.662 1.058 50 HB3 PHE 10 2HB PHE 10 5.960 1.472 2.556 51 HD1 PHE 10 1HD PHE 10 7.394 0.580 -0.766 52 HD2 PHE 10 2HD PHE 10 7.253 3.370 2.445 53 HE1 PHE 10 1HE PHE 10 8.849 2.107 -2.034 54 HE2 PHE 10 2HE PHE 10 8.707 4.902 1.182 55 HZ PHE 10 HZ PHE 10 9.506 4.271 -1.060 56 H VAL 11 H VAL 11 7.338 0.376 4.584 57 HA VAL 11 HA VAL 11 5.493 -1.679 5.611 58 HB VAL 11 HB VAL 11 7.810 -1.891 6.425 59 HG11 VAL 11 1HG1 VAL 11 7.558 0.551 8.087 60 HG12 VAL 11 2HG1 VAL 11 8.996 -0.230 7.427 61 HG13 VAL 11 3HG1 VAL 11 7.975 0.764 6.387 62 HG21 VAL 11 1HG2 VAL 11 7.283 -2.058 8.791 63 HG22 VAL 11 2HG2 VAL 11 5.877 -1.017 8.571 64 HG23 VAL 11 3HG2 VAL 11 5.919 -2.613 7.821 65 H ALA 12 H ALA 12 3.807 -1.109 6.895 66 HA ALA 12 HA ALA 12 3.047 1.676 6.914 67 HB1 ALA 12 1HB ALA 12 1.230 0.322 6.467 68 HB2 ALA 12 2HB ALA 12 1.699 -0.883 7.667 69 HB3 ALA 12 3HB ALA 12 1.023 0.661 8.186 70 H LEU 13 H LEU 13 3.977 2.955 8.385 71 HA LEU 13 HA LEU 13 4.983 2.068 10.877 72 HB2 LEU 13 1HB LEU 13 4.291 4.864 9.988 73 HB3 LEU 13 2HB LEU 13 5.288 4.441 11.378 74 HG LEU 13 HG LEU 13 6.117 3.521 8.662 75 HD11 LEU 13 1HD1 LEU 13 5.930 6.312 9.554 76 HD12 LEU 13 2HD1 LEU 13 6.063 5.642 7.928 77 HD13 LEU 13 3HD1 LEU 13 7.506 5.831 8.925 78 HD21 LEU 13 1HD2 LEU 13 8.158 3.245 9.616 79 HD22 LEU 13 2HD2 LEU 13 7.169 3.077 11.067 80 HD23 LEU 13 3HD2 LEU 13 7.958 4.614 10.710 81 H PHE 14 H PHE 14 1.927 3.460 9.867 82 HA PHE 14 HA PHE 14 0.863 2.909 12.548 83 HB2 PHE 14 1HB PHE 14 -0.016 5.321 10.973 84 HB3 PHE 14 2HB PHE 14 -0.294 4.964 12.674 85 HD1 PHE 14 1HD PHE 14 1.561 5.161 14.296 86 HD2 PHE 14 2HD PHE 14 1.963 6.399 10.244 87 HE1 PHE 14 1HE PHE 14 3.549 6.479 14.900 88 HE2 PHE 14 2HE PHE 14 3.952 7.718 10.840 89 HZ PHE 14 HZ PHE 14 4.748 7.758 13.170 90 H ASP 15 H ASP 15 -1.594 2.918 12.516 91 HA ASP 15 HA ASP 15 -2.452 1.242 10.315 92 HB2 ASP 15 1HB ASP 15 -4.119 2.125 12.670 93 HB3 ASP 15 2HB ASP 15 -4.348 0.706 11.651 94 H TYR 16 H TYR 16 -3.987 1.724 8.808 95 HA TYR 16 HA TYR 16 -5.160 4.421 8.886 96 HB2 TYR 16 1HB TYR 16 -3.391 4.626 7.315 97 HB3 TYR 16 2HB TYR 16 -3.761 3.069 6.582 98 HD1 TYR 16 1HD TYR 16 -5.896 2.834 5.252 99 HD2 TYR 16 2HD TYR 16 -4.396 6.606 6.526 100 HE1 TYR 16 1HE TYR 16 -7.299 3.954 3.570 101 HE2 TYR 16 2HE TYR 16 -5.795 7.736 4.849 102 HH TYR 16 HH TYR 16 -7.956 7.210 3.597 103 H GLN 17 H GLN 17 -7.207 4.643 7.987 104 HA GLN 17 HA GLN 17 -8.553 2.119 7.279 105 HB2 GLN 17 1HB GLN 17 -9.285 2.891 9.470 106 HB3 GLN 17 2HB GLN 17 -9.667 4.476 8.809 107 HG2 GLN 17 1HG GLN 17 -11.568 3.742 7.771 108 HG3 GLN 17 2HG GLN 17 -10.986 2.083 7.636 109 HE21 GLN 17 1HE2 GLN 17 -11.995 4.491 10.023 110 HE22 GLN 17 2HE2 GLN 17 -12.728 3.365 11.109 111 H ALA 18 H ALA 18 -9.123 2.092 5.216 112 HA ALA 18 HA ALA 18 -9.260 4.466 3.629 113 HB1 ALA 18 1HB ALA 18 -8.809 1.823 3.092 114 HB2 ALA 18 2HB ALA 18 -10.438 2.062 2.461 115 HB3 ALA 18 3HB ALA 18 -9.113 3.073 1.885 116 H ARG 19 H ARG 19 -10.904 5.836 3.980 117 HA ARG 19 HA ARG 19 -13.456 5.143 4.911 118 HB2 ARG 19 1HB ARG 19 -12.650 7.574 3.303 119 HB3 ARG 19 2HB ARG 19 -14.116 7.413 4.261 120 HG2 ARG 19 1HG ARG 19 -12.404 6.926 6.197 121 HG3 ARG 19 2HG ARG 19 -11.308 7.819 5.141 122 HD2 ARG 19 1HD ARG 19 -12.844 9.703 5.107 123 HD3 ARG 19 2HD ARG 19 -13.991 8.806 6.101 124 HE ARG 19 HE ARG 19 -11.443 9.029 7.357 125 HH11 ARG 19 2HH1 ARG 19 -14.396 10.748 6.695 126 HH12 ARG 19 1HH1 ARG 19 -14.255 11.785 8.076 127 HH21 ARG 19 2HH2 ARG 19 -11.245 10.388 9.178 128 HH22 ARG 19 1HH2 ARG 19 -12.462 11.580 9.487 129 H THR 20 H THR 20 -12.289 5.787 1.621 130 HA THR 20 HA THR 20 -14.842 4.777 0.569 131 HB THR 20 HB THR 20 -14.236 5.825 -1.556 132 HG1 THR 20 1HG THR 20 -12.109 5.971 -1.764 133 HG21 THR 20 1HG2 THR 20 -14.867 7.168 0.837 134 HG22 THR 20 2HG2 THR 20 -15.182 7.701 -0.814 135 HG23 THR 20 3HG2 THR 20 -13.689 8.175 -0.004 136 H ALA 21 H ALA 21 -14.454 3.741 -1.731 137 HA ALA 21 HA ALA 21 -12.955 1.351 -1.262 138 HB1 ALA 21 1HB ALA 21 -13.644 1.174 -3.872 139 HB2 ALA 21 2HB ALA 21 -14.710 0.745 -2.533 140 HB3 ALA 21 3HB ALA 21 -14.841 2.332 -3.292 141 H GLU 22 H GLU 22 -12.621 4.103 -3.481 142 HA GLU 22 HA GLU 22 -10.534 3.342 -5.047 143 HB2 GLU 22 1HB GLU 22 -11.166 6.002 -3.797 144 HB3 GLU 22 2HB GLU 22 -9.778 5.806 -4.859 145 HG2 GLU 22 1HG GLU 22 -12.687 5.543 -5.508 146 HG3 GLU 22 2HG GLU 22 -11.477 6.592 -6.244 147 H ASP 23 H ASP 23 -10.339 4.507 -1.715 148 HA ASP 23 HA ASP 23 -7.459 4.283 -1.658 149 HB2 ASP 23 1HB ASP 23 -9.574 5.160 0.255 150 HB3 ASP 23 2HB ASP 23 -8.021 4.649 0.911 151 H LEU 24 H LEU 24 -6.425 3.019 0.155 152 HA LEU 24 HA LEU 24 -7.727 0.385 0.381 153 HB2 LEU 24 1HB LEU 24 -5.676 0.481 -1.034 154 HB3 LEU 24 2HB LEU 24 -4.771 0.970 0.397 155 HG LEU 24 HG LEU 24 -5.576 -1.240 1.423 156 HD11 LEU 24 1HD1 LEU 24 -7.040 -2.380 0.195 157 HD12 LEU 24 2HD1 LEU 24 -5.688 -2.786 -0.861 158 HD13 LEU 24 3HD1 LEU 24 -6.718 -1.405 -1.239 159 HD21 LEU 24 1HD2 LEU 24 -3.311 -1.141 1.000 160 HD22 LEU 24 2HD2 LEU 24 -3.536 -0.903 -0.733 161 HD23 LEU 24 3HD2 LEU 24 -3.806 -2.493 -0.019 162 H SER 25 H SER 25 -7.312 -0.833 2.318 163 HA SER 25 HA SER 25 -6.745 0.896 4.636 164 HB2 SER 25 1HB SER 25 -8.300 -0.414 5.926 165 HB3 SER 25 2HB SER 25 -9.105 0.053 4.428 166 HG SER 25 HG SER 25 -9.333 -1.980 3.996 167 H PHE 26 H PHE 26 -5.112 0.353 5.932 168 HA PHE 26 HA PHE 26 -4.153 -2.411 5.970 169 HB2 PHE 26 1HB PHE 26 -1.803 -1.632 5.773 170 HB3 PHE 26 2HB PHE 26 -2.745 -1.334 4.316 171 HD1 PHE 26 1HD PHE 26 -3.504 0.957 3.783 172 HD2 PHE 26 2HD PHE 26 -0.866 0.148 7.024 173 HE1 PHE 26 1HE PHE 26 -2.872 3.334 3.858 174 HE2 PHE 26 2HE PHE 26 -0.231 2.523 7.105 175 HZ PHE 26 HZ PHE 26 -1.234 4.120 5.521 176 H ARG 27 H ARG 27 -2.365 -2.622 7.699 177 HA ARG 27 HA ARG 27 -3.087 -0.955 10.019 178 HB2 ARG 27 1HB ARG 27 -2.563 -3.923 9.883 179 HB3 ARG 27 2HB ARG 27 -2.574 -3.022 11.393 180 HG2 ARG 27 1HG ARG 27 -4.921 -2.868 9.557 181 HG3 ARG 27 2HG ARG 27 -4.709 -4.268 10.611 182 HD2 ARG 27 1HD ARG 27 -4.392 -2.521 12.484 183 HD3 ARG 27 2HD ARG 27 -5.133 -1.394 11.348 184 HE ARG 27 HE ARG 27 -7.140 -2.310 11.894 185 HH11 ARG 27 2HH1 ARG 27 -4.664 -4.688 12.474 186 HH12 ARG 27 1HH1 ARG 27 -5.764 -5.870 13.102 187 HH21 ARG 27 2HH2 ARG 27 -8.598 -3.858 12.719 188 HH22 ARG 27 1HH2 ARG 27 -8.001 -5.397 13.240 189 H ALA 28 H ALA 28 -1.388 -1.066 11.780 190 HA ALA 28 HA ALA 28 1.067 -0.137 10.777 191 HB1 ALA 28 1HB ALA 28 0.820 0.715 12.844 192 HB2 ALA 28 2HB ALA 28 -0.078 -0.686 13.430 193 HB3 ALA 28 3HB ALA 28 1.683 -0.742 13.337 194 H GLY 29 H GLY 29 2.410 -1.405 9.646 195 HA2 GLY 29 1HA GLY 29 4.271 -2.990 10.036 196 HA3 GLY 29 2HA GLY 29 3.089 -4.039 10.805 197 H ASP 30 H ASP 30 0.997 -3.713 8.920 198 HA ASP 30 HA ASP 30 1.288 -5.763 7.209 199 HB2 ASP 30 1HB ASP 30 -0.689 -4.044 7.571 200 HB3 ASP 30 2HB ASP 30 -0.051 -3.339 6.088 201 H LYS 31 H LYS 31 2.262 -6.241 5.314 202 HA LYS 31 HA LYS 31 4.244 -4.353 4.332 203 HB2 LYS 31 1HB LYS 31 3.700 -7.234 3.591 204 HB3 LYS 31 2HB LYS 31 5.030 -6.269 2.965 205 HG2 LYS 31 1HG LYS 31 4.646 -6.768 5.900 206 HG3 LYS 31 2HG LYS 31 5.564 -7.857 4.859 207 HD2 LYS 31 1HD LYS 31 6.210 -4.952 4.792 208 HD3 LYS 31 2HD LYS 31 6.740 -5.898 6.185 209 HE2 LYS 31 1HE LYS 31 7.261 -6.872 3.403 210 HE3 LYS 31 2HE LYS 31 8.307 -5.652 4.128 211 HZ1 LYS 31 1HZ LYS 31 7.861 -7.798 5.929 212 HZ2 LYS 31 2HZ LYS 31 9.322 -7.201 5.321 213 HZ3 LYS 31 3HZ LYS 31 8.467 -8.381 4.461 214 H LEU 32 H LEU 32 3.704 -2.954 2.800 215 HA LEU 32 HA LEU 32 1.794 -3.811 0.726 216 HB2 LEU 32 1HB LEU 32 2.271 -0.997 1.691 217 HB3 LEU 32 2HB LEU 32 1.059 -1.524 0.526 218 HG LEU 32 HG LEU 32 0.974 -2.631 3.295 219 HD11 LEU 32 1HD1 LEU 32 0.141 0.142 2.484 220 HD12 LEU 32 2HD1 LEU 32 1.199 -0.335 3.811 221 HD13 LEU 32 3HD1 LEU 32 -0.526 -0.694 3.886 222 HD21 LEU 32 1HD2 LEU 32 -1.419 -1.730 1.823 223 HD22 LEU 32 2HD2 LEU 32 -1.145 -3.199 2.760 224 HD23 LEU 32 3HD2 LEU 32 -0.529 -3.076 1.111 225 H GLN 33 H GLN 33 2.465 -3.743 -1.326 226 HA GLN 33 HA GLN 33 5.145 -2.705 -1.857 227 HB2 GLN 33 1HB GLN 33 4.721 -4.991 -2.557 228 HB3 GLN 33 2HB GLN 33 3.327 -4.477 -3.497 229 HG2 GLN 33 1HG GLN 33 4.955 -3.045 -4.827 230 HG3 GLN 33 2HG GLN 33 6.231 -3.973 -4.041 231 HE21 GLN 33 1HE2 GLN 33 5.139 -3.755 -6.869 232 HE22 GLN 33 2HE2 GLN 33 4.930 -5.398 -7.359 233 H VAL 34 H VAL 34 5.385 -0.758 -2.709 234 HA VAL 34 HA VAL 34 3.185 0.751 -3.718 235 HB VAL 34 HB VAL 34 6.141 1.363 -3.858 236 HG11 VAL 34 1HG1 VAL 34 5.084 3.763 -3.897 237 HG12 VAL 34 2HG1 VAL 34 5.251 2.830 -5.386 238 HG13 VAL 34 3HG1 VAL 34 3.692 2.910 -4.563 239 HG21 VAL 34 1HG2 VAL 34 5.662 1.218 -1.583 240 HG22 VAL 34 2HG2 VAL 34 5.455 2.934 -1.934 241 HG23 VAL 34 3HG2 VAL 34 4.043 1.888 -1.782 242 H LEU 35 H LEU 35 2.434 0.888 -5.728 243 HA LEU 35 HA LEU 35 4.006 -0.341 -7.886 244 HB2 LEU 35 1HB LEU 35 1.068 0.312 -7.908 245 HB3 LEU 35 2HB LEU 35 1.953 -0.695 -9.052 246 HG LEU 35 HG LEU 35 1.811 -1.503 -6.178 247 HD11 LEU 35 1HD1 LEU 35 -0.245 -2.752 -6.655 248 HD12 LEU 35 2HD1 LEU 35 -0.347 -1.969 -8.232 249 HD13 LEU 35 3HD1 LEU 35 -0.493 -1.008 -6.760 250 HD21 LEU 35 1HD2 LEU 35 3.015 -2.557 -8.408 251 HD22 LEU 35 2HD2 LEU 35 1.518 -3.484 -8.298 252 HD23 LEU 35 3HD2 LEU 35 2.632 -3.440 -6.930 253 H ASP 36 H ASP 36 1.774 2.385 -7.338 254 HA ASP 36 HA ASP 36 3.193 3.850 -9.464 255 HB2 ASP 36 1HB ASP 36 0.617 3.282 -9.581 256 HB3 ASP 36 2HB ASP 36 0.481 4.678 -8.516 257 H THR 37 H THR 37 4.143 5.745 -8.994 258 HA THR 37 HA THR 37 3.599 6.963 -6.370 259 HB THR 37 HB THR 37 5.967 7.453 -6.067 260 HG1 THR 37 1HG THR 37 7.336 7.221 -7.665 261 HG21 THR 37 1HG2 THR 37 5.303 5.428 -5.036 262 HG22 THR 37 2HG2 THR 37 6.815 5.066 -5.869 263 HG23 THR 37 3HG2 THR 37 5.277 4.566 -6.574 264 H SER 38 H SER 38 2.440 7.781 -8.781 265 HA SER 38 HA SER 38 3.919 9.946 -9.934 266 HB2 SER 38 1HB SER 38 1.160 8.843 -10.227 267 HB3 SER 38 2HB SER 38 1.461 10.489 -10.783 268 HG SER 38 HG SER 38 1.808 8.653 -12.315 269 H HIS 39 H HIS 39 0.770 10.044 -8.268 270 HA HIS 39 HA HIS 39 0.890 12.776 -7.662 271 HB2 HIS 39 1HB HIS 39 -1.151 11.243 -7.640 272 HB3 HIS 39 2HB HIS 39 -0.628 10.740 -6.035 273 HD1 HIS 39 1HD HIS 39 -3.141 12.662 -7.208 274 HD2 HIS 39 2HD HIS 39 0.026 13.603 -4.688 275 HE1 HIS 39 1HE HIS 39 -3.886 14.689 -5.920 276 HE2 HIS 39 2HE HIS 39 -1.922 15.290 -4.463 277 H GLU 40 H GLU 40 2.030 13.872 -6.212 278 HA GLU 40 HA GLU 40 3.821 12.576 -4.429 279 HB2 GLU 40 1HB GLU 40 3.013 15.441 -4.853 280 HB3 GLU 40 2HB GLU 40 4.088 14.987 -3.538 281 HG2 GLU 40 1HG GLU 40 5.617 15.502 -5.136 282 HG3 GLU 40 2HG GLU 40 5.405 13.784 -5.467 283 H GLY 41 H GLY 41 2.854 11.359 -2.874 284 HA2 GLY 41 1HA GLY 41 2.252 11.912 -0.448 285 HA3 GLY 41 2HA GLY 41 0.845 12.680 -1.168 286 H TRP 42 H TRP 42 -0.282 11.104 -2.827 287 HA TRP 42 HA TRP 42 -0.860 8.681 -1.294 288 HB2 TRP 42 1HB TRP 42 -2.371 10.000 -3.560 289 HB3 TRP 42 2HB TRP 42 -2.892 8.545 -2.715 290 HD1 TRP 42 HD TRP 42 -2.566 12.328 -2.245 291 HE1 TRP 42 1HE TRP 42 -3.959 13.025 -0.196 292 HE3 TRP 42 3HE TRP 42 -3.816 7.689 -0.496 293 HZ2 TRP 42 2HZ TRP 42 -5.397 11.774 1.886 294 HZ3 TRP 42 3HZ TRP 42 -5.203 7.527 1.530 295 HH2 TRP 42 HH TRP 42 -5.976 9.528 2.695 296 H TRP 43 H TRP 43 0.111 6.862 -1.870 297 HA TRP 43 HA TRP 43 0.941 6.522 -4.670 298 HB2 TRP 43 1HB TRP 43 1.923 5.151 -2.158 299 HB3 TRP 43 2HB TRP 43 2.485 4.785 -3.786 300 HD1 TRP 43 HD TRP 43 2.305 8.208 -4.275 301 HE1 TRP 43 1HE TRP 43 4.432 9.486 -3.591 302 HE3 TRP 43 3HE TRP 43 4.453 4.665 -1.281 303 HZ2 TRP 43 2HZ TRP 43 6.717 9.050 -1.993 304 HZ3 TRP 43 3HZ TRP 43 6.610 5.174 -0.212 305 HH2 TRP 43 HH TRP 43 7.718 7.322 -0.562 306 H LEU 44 H LEU 44 0.598 4.512 -5.721 307 HA LEU 44 HA LEU 44 -1.807 3.140 -4.776 308 HB2 LEU 44 1HB LEU 44 -1.977 3.954 -7.005 309 HB3 LEU 44 2HB LEU 44 -0.426 3.245 -7.447 310 HG LEU 44 HG LEU 44 -1.488 0.985 -7.095 311 HD11 LEU 44 1HD1 LEU 44 -3.622 2.617 -6.157 312 HD12 LEU 44 2HD1 LEU 44 -3.510 0.858 -6.202 313 HD13 LEU 44 3HD1 LEU 44 -4.169 1.735 -7.583 314 HD21 LEU 44 1HD2 LEU 44 -1.123 2.035 -9.312 315 HD22 LEU 44 2HD2 LEU 44 -2.749 2.711 -9.222 316 HD23 LEU 44 3HD2 LEU 44 -2.522 0.962 -9.267 317 H ALA 45 H ALA 45 -1.129 1.646 -3.306 318 HA ALA 45 HA ALA 45 0.856 -0.327 -4.230 319 HB1 ALA 45 1HB ALA 45 1.458 -0.737 -1.961 320 HB2 ALA 45 2HB ALA 45 1.469 1.010 -2.204 321 HB3 ALA 45 3HB ALA 45 0.119 0.245 -1.367 322 H ARG 46 H ARG 46 0.522 -2.549 -3.357 323 HA ARG 46 HA ARG 46 -2.343 -3.183 -3.099 324 HB2 ARG 46 1HB ARG 46 -2.067 -5.118 -4.484 325 HB3 ARG 46 2HB ARG 46 -1.407 -3.739 -5.353 326 HG2 ARG 46 1HG ARG 46 0.814 -4.421 -4.952 327 HG3 ARG 46 2HG ARG 46 0.309 -5.604 -3.744 328 HD2 ARG 46 1HD ARG 46 0.753 -6.900 -5.627 329 HD3 ARG 46 2HD ARG 46 -0.998 -6.701 -5.663 330 HE ARG 46 HE ARG 46 0.085 -4.642 -7.174 331 HH11 ARG 46 2HH1 ARG 46 -0.053 -8.119 -7.255 332 HH12 ARG 46 1HH1 ARG 46 0.032 -8.213 -8.983 333 HH21 ARG 46 2HH2 ARG 46 0.198 -4.751 -9.450 334 HH22 ARG 46 1HH2 ARG 46 0.176 -6.297 -10.230 335 H HIS 47 H HIS 47 -2.815 -5.197 -1.989 336 HA HIS 47 HA HIS 47 -1.272 -5.487 0.381 337 HB2 HIS 47 1HB HIS 47 -3.734 -6.727 -0.738 338 HB3 HIS 47 2HB HIS 47 -2.887 -7.614 0.526 339 HD1 HIS 47 1HD HIS 47 -2.328 -5.940 2.716 340 HD2 HIS 47 2HD HIS 47 -5.561 -5.024 0.274 341 HE1 HIS 47 1HE HIS 47 -3.804 -4.438 4.090 342 HE2 HIS 47 2HE HIS 47 -5.795 -3.966 2.622 343 H LEU 48 H LEU 48 0.379 -6.800 0.814 344 HA LEU 48 HA LEU 48 1.222 -8.697 -1.239 345 HB2 LEU 48 1HB LEU 48 2.636 -7.710 1.234 346 HB3 LEU 48 2HB LEU 48 3.330 -8.788 0.024 347 HG LEU 48 HG LEU 48 2.396 -5.999 -0.621 348 HD11 LEU 48 1HD1 LEU 48 5.218 -6.842 0.004 349 HD12 LEU 48 2HD1 LEU 48 4.163 -6.012 1.148 350 HD13 LEU 48 3HD1 LEU 48 4.630 -5.218 -0.356 351 HD21 LEU 48 1HD2 LEU 48 4.573 -7.160 -2.150 352 HD22 LEU 48 2HD2 LEU 48 3.065 -6.430 -2.702 353 HD23 LEU 48 3HD2 LEU 48 3.102 -8.130 -2.231 354 H GLU 49 H GLU 49 0.257 -8.581 2.144 355 HA GLU 49 HA GLU 49 0.879 -11.231 2.833 356 HB2 GLU 49 1HB GLU 49 -0.982 -9.156 3.906 357 HB3 GLU 49 2HB GLU 49 -1.145 -10.809 4.481 358 HG2 GLU 49 1HG GLU 49 1.048 -10.818 5.362 359 HG3 GLU 49 2HG GLU 49 1.458 -9.314 4.539 360 H LYS 50 H LYS 50 -2.183 -9.811 1.701 361 HA LYS 50 HA LYS 50 -4.066 -10.749 0.825 362 HB2 LYS 50 1HB LYS 50 -1.933 -12.574 -0.278 363 HB3 LYS 50 2HB LYS 50 -3.623 -12.700 -0.747 364 HG2 LYS 50 1HG LYS 50 -2.135 -10.114 -0.999 365 HG3 LYS 50 2HG LYS 50 -2.034 -11.360 -2.245 366 HD2 LYS 50 1HD LYS 50 -4.723 -10.528 -1.269 367 HD3 LYS 50 2HD LYS 50 -3.850 -9.451 -2.361 368 HE2 LYS 50 1HE LYS 50 -4.993 -10.728 -3.878 369 HE3 LYS 50 2HE LYS 50 -3.509 -11.668 -3.737 370 HZ1 LYS 50 1HZ LYS 50 -5.533 -12.377 -1.813 371 HZ2 LYS 50 2HZ LYS 50 -4.591 -13.369 -2.808 372 HZ3 LYS 50 3HZ LYS 50 -5.997 -12.652 -3.417 373 H LYS 51 H LYS 51 -3.628 -11.446 3.476 374 HA LYS 51 HA LYS 51 -4.579 -14.235 3.557 375 HB2 LYS 51 1HB LYS 51 -2.333 -13.550 4.699 376 HB3 LYS 51 2HB LYS 51 -3.376 -12.859 5.934 377 HG2 LYS 51 1HG LYS 51 -4.474 -15.129 6.093 378 HG3 LYS 51 2HG LYS 51 -3.147 -15.734 5.099 379 HD2 LYS 51 1HD LYS 51 -2.281 -16.126 7.178 380 HD3 LYS 51 2HD LYS 51 -1.688 -14.485 6.917 381 HE2 LYS 51 1HE LYS 51 -3.382 -13.555 8.277 382 HE3 LYS 51 2HE LYS 51 -4.301 -15.060 8.291 383 HZ1 LYS 51 1HZ LYS 51 -3.007 -15.942 9.895 384 HZ2 LYS 51 2HZ LYS 51 -2.719 -14.320 10.275 385 HZ3 LYS 51 3HZ LYS 51 -1.594 -15.185 9.354 386 H GLY 52 H GLY 52 -6.746 -14.102 3.647 387 HA2 GLY 52 1HA GLY 52 -8.655 -13.940 5.075 388 HA3 GLY 52 2HA GLY 52 -7.894 -12.577 5.882 389 H THR 53 H THR 53 -9.662 -13.617 3.047 390 HA THR 53 HA THR 53 -10.035 -10.815 2.244 391 HB THR 53 HB THR 53 -10.909 -11.715 0.118 392 HG1 THR 53 1HG THR 53 -10.055 -14.266 1.038 393 HG21 THR 53 1HG2 THR 53 -8.214 -11.904 1.079 394 HG22 THR 53 2HG2 THR 53 -8.791 -11.502 -0.539 395 HG23 THR 53 3HG2 THR 53 -8.516 -13.186 -0.093 396 H GLY 54 H GLY 54 -12.016 -9.863 2.228 397 HA2 GLY 54 1HA GLY 54 -14.207 -11.428 3.425 398 HA3 GLY 54 2HA GLY 54 -14.040 -9.682 3.523 399 H LEU 55 H LEU 55 -15.528 -8.662 2.377 400 HA LEU 55 HA LEU 55 -16.353 -9.830 -0.200 401 HB2 LEU 55 1HB LEU 55 -18.141 -10.011 1.424 402 HB3 LEU 55 2HB LEU 55 -18.013 -8.292 1.792 403 HG LEU 55 HG LEU 55 -18.585 -8.037 -0.765 404 HD11 LEU 55 1HD1 LEU 55 -19.620 -10.776 -0.074 405 HD12 LEU 55 2HD1 LEU 55 -18.564 -10.321 -1.410 406 HD13 LEU 55 3HD1 LEU 55 -20.249 -9.803 -1.403 407 HD21 LEU 55 1HD2 LEU 55 -21.109 -8.504 0.163 408 HD22 LEU 55 2HD2 LEU 55 -20.189 -7.021 0.422 409 HD23 LEU 55 3HD2 LEU 55 -20.203 -8.279 1.660 410 H GLY 56 H GLY 56 -16.572 -6.721 1.550 411 HA2 GLY 56 1HA GLY 56 -15.953 -5.363 -0.990 412 HA3 GLY 56 2HA GLY 56 -16.788 -4.632 0.373 413 H GLN 57 H GLN 57 -13.687 -6.328 -0.125 414 HA GLN 57 HA GLN 57 -12.339 -4.020 1.098 415 HB2 GLN 57 1HB GLN 57 -11.828 -6.934 1.718 416 HB3 GLN 57 2HB GLN 57 -10.806 -5.607 2.255 417 HG2 GLN 57 1HG GLN 57 -12.733 -4.665 3.476 418 HG3 GLN 57 2HG GLN 57 -13.684 -6.072 3.001 419 HE21 GLN 57 1HE2 GLN 57 -13.728 -5.896 5.511 420 HE22 GLN 57 2HE2 GLN 57 -12.582 -6.900 6.326 421 H GLN 58 H GLN 58 -11.529 -3.252 -0.818 422 HA GLN 58 HA GLN 58 -10.508 -4.650 -2.952 423 HB2 GLN 58 1HB GLN 58 -10.849 -2.112 -2.646 424 HB3 GLN 58 2HB GLN 58 -9.216 -2.109 -1.995 425 HG2 GLN 58 1HG GLN 58 -8.256 -2.548 -4.013 426 HG3 GLN 58 2HG GLN 58 -9.667 -3.411 -4.622 427 HE21 GLN 58 1HE2 GLN 58 -8.325 -1.543 -6.143 428 HE22 GLN 58 2HE2 GLN 58 -9.342 -0.168 -6.384 429 H LEU 59 H LEU 59 -8.083 -4.528 -3.617 430 HA LEU 59 HA LEU 59 -6.513 -5.684 -1.409 431 HB2 LEU 59 1HB LEU 59 -5.232 -6.826 -3.250 432 HB3 LEU 59 2HB LEU 59 -6.888 -7.374 -3.003 433 HG LEU 59 HG LEU 59 -6.359 -5.316 -5.093 434 HD11 LEU 59 1HD1 LEU 59 -5.352 -6.686 -6.566 435 HD12 LEU 59 2HD1 LEU 59 -6.201 -8.116 -5.980 436 HD13 LEU 59 3HD1 LEU 59 -4.790 -7.511 -5.112 437 HD21 LEU 59 1HD2 LEU 59 -8.490 -7.087 -4.277 438 HD22 LEU 59 2HD2 LEU 59 -8.097 -7.298 -5.983 439 HD23 LEU 59 3HD2 LEU 59 -8.531 -5.702 -5.369 440 H GLN 60 H GLN 60 -6.504 -3.450 -4.105 441 HA GLN 60 HA GLN 60 -4.093 -2.209 -3.006 442 HB2 GLN 60 1HB GLN 60 -2.930 -2.140 -5.040 443 HB3 GLN 60 2HB GLN 60 -3.562 -3.780 -4.965 444 HG2 GLN 60 1HG GLN 60 -5.248 -3.309 -6.544 445 HG3 GLN 60 2HG GLN 60 -4.970 -1.572 -6.430 446 HE21 GLN 60 1HE2 GLN 60 -3.900 -0.738 -8.060 447 HE22 GLN 60 2HE2 GLN 60 -2.746 -1.554 -9.053 448 H GLY 61 H GLY 61 -4.076 -0.011 -3.108 449 HA2 GLY 61 1HA GLY 61 -5.745 1.461 -4.918 450 HA3 GLY 61 2HA GLY 61 -6.388 1.444 -3.283 451 H TYR 62 H TYR 62 -6.102 3.770 -3.364 452 HA TYR 62 HA TYR 62 -3.397 4.797 -3.424 453 HB2 TYR 62 1HB TYR 62 -6.083 6.107 -2.990 454 HB3 TYR 62 2HB TYR 62 -4.562 6.989 -2.913 455 HD1 TYR 62 2HD TYR 62 -2.979 6.312 -5.074 456 HD2 TYR 62 1HD TYR 62 -7.231 6.387 -4.960 457 HE1 TYR 62 2HE TYR 62 -3.033 6.627 -7.513 458 HE2 TYR 62 1HE TYR 62 -7.297 6.700 -7.399 459 HH TYR 62 HH TYR 62 -5.512 6.050 -9.386 460 H ILE 63 H ILE 63 -2.122 5.074 -1.718 461 HA ILE 63 HA ILE 63 -3.327 5.276 0.952 462 HB ILE 63 HB ILE 63 -1.666 3.786 1.907 463 HG12 ILE 63 1HG1 ILE 63 -0.782 3.099 -0.894 464 HG13 ILE 63 2HG1 ILE 63 0.051 4.300 0.088 465 HG21 ILE 63 1HG2 ILE 63 -3.592 2.907 -0.120 466 HG22 ILE 63 2HG2 ILE 63 -2.365 1.711 0.295 467 HG23 ILE 63 3HG2 ILE 63 -3.391 2.394 1.556 468 HD11 ILE 63 1HD1 ILE 63 0.524 2.605 1.768 469 HD12 ILE 63 2HD1 ILE 63 -0.326 1.401 0.798 470 HD13 ILE 63 3HD1 ILE 63 1.155 2.139 0.189 471 HA PRO 64 HA PRO 64 -0.544 8.649 1.454 472 HB2 PRO 64 1HB PRO 64 -0.431 8.726 4.165 473 HB3 PRO 64 2HB PRO 64 -1.844 9.261 3.247 474 HG2 PRO 64 1HG PRO 64 -1.369 6.658 4.647 475 HG3 PRO 64 2HG PRO 64 -2.831 7.660 4.615 476 HD2 PRO 64 1HD PRO 64 -2.542 5.455 3.070 477 HD3 PRO 64 2HD PRO 64 -3.479 6.870 2.548 478 H SER 65 H SER 65 1.611 8.877 1.438 479 HA SER 65 HA SER 65 3.293 6.627 1.962 480 HB2 SER 65 1HB SER 65 5.139 8.171 1.329 481 HB3 SER 65 2HB SER 65 3.836 8.146 0.142 482 HG SER 65 HG SER 65 4.761 10.270 0.977 483 H ASN 66 H ASN 66 2.832 9.791 3.501 484 HA ASN 66 HA ASN 66 4.790 9.704 5.429 485 HB2 ASN 66 1HB ASN 66 1.987 10.821 5.577 486 HB3 ASN 66 2HB ASN 66 3.197 11.089 6.828 487 HD21 ASN 66 1HD2 ASN 66 3.470 13.238 6.587 488 HD22 ASN 66 2HD2 ASN 66 4.091 13.984 5.157 489 H TYR 67 H TYR 67 1.947 7.776 5.184 490 HA TYR 67 HA TYR 67 1.884 6.983 7.948 491 HB2 TYR 67 1HB TYR 67 0.400 6.207 5.471 492 HB3 TYR 67 2HB TYR 67 0.349 5.131 6.863 493 HD1 TYR 67 1HD TYR 67 0.118 8.831 6.331 494 HD2 TYR 67 2HD TYR 67 -1.560 5.356 8.123 495 HE1 TYR 67 1HE TYR 67 -1.661 10.209 7.323 496 HE2 TYR 67 2HE TYR 67 -3.345 6.725 9.119 497 HH TYR 67 HH TYR 67 -3.393 10.248 8.729 498 H VAL 68 H VAL 68 3.234 5.747 4.958 499 HA VAL 68 HA VAL 68 4.324 3.435 6.419 500 HB VAL 68 HB VAL 68 4.627 2.325 4.309 501 HG11 VAL 68 1HG1 VAL 68 2.049 3.292 5.196 502 HG12 VAL 68 2HG1 VAL 68 2.051 2.930 3.468 503 HG13 VAL 68 3HG1 VAL 68 2.518 1.689 4.631 504 HG21 VAL 68 1HG2 VAL 68 5.300 4.122 2.892 505 HG22 VAL 68 2HG2 VAL 68 3.842 3.417 2.193 506 HG23 VAL 68 3HG2 VAL 68 3.747 4.935 3.086 507 H ALA 69 H ALA 69 6.486 2.692 5.269 508 HA ALA 69 HA ALA 69 8.194 4.899 4.494 509 HB1 ALA 69 1HB ALA 69 9.033 5.312 6.506 510 HB2 ALA 69 2HB ALA 69 8.100 3.994 7.216 511 HB3 ALA 69 3HB ALA 69 9.691 3.676 6.523 512 H GLU 70 H GLU 70 10.581 3.978 4.377 513 HA GLU 70 HA GLU 70 10.402 1.653 2.662 514 HB2 GLU 70 1HB GLU 70 12.453 3.737 3.229 515 HB3 GLU 70 2HB GLU 70 13.007 2.192 2.600 516 HG2 GLU 70 1HG GLU 70 11.208 2.543 0.787 517 HG3 GLU 70 2HG GLU 70 11.236 4.225 1.311 518 H ASP 71 H ASP 71 10.452 -0.305 3.537 519 HA ASP 71 HA ASP 71 11.917 -0.757 6.022 520 HB2 ASP 71 1HB ASP 71 9.491 -1.608 5.379 521 HB3 ASP 71 2HB ASP 71 10.398 -2.927 4.644 522 H SER 72 H SER 72 13.482 -2.392 6.254 523 HA SER 72 HA SER 72 15.448 -2.543 4.350 524 HB2 SER 72 1HB SER 72 16.441 -4.287 5.638 525 HB3 SER 72 2HB SER 72 15.583 -3.258 6.784 526 HG SER 72 HG SER 72 13.786 -4.859 6.389 527 H GLY 73 H GLY 73 15.439 -3.334 2.359 528 HA2 GLY 73 1HA GLY 73 14.304 -5.980 1.872 529 HA3 GLY 73 2HA GLY 73 13.619 -4.647 0.954 530 HA PRO 74 HA PRO 74 17.476 -6.483 -1.106 531 HB2 PRO 74 1HB PRO 74 16.230 -7.670 -3.205 532 HB3 PRO 74 2HB PRO 74 16.543 -8.503 -1.678 533 HG2 PRO 74 1HG PRO 74 14.023 -7.213 -2.650 534 HG3 PRO 74 2HG PRO 74 14.237 -8.763 -1.816 535 HD2 PRO 74 1HD PRO 74 13.417 -6.521 -0.537 536 HD3 PRO 74 2HD PRO 74 14.400 -7.768 0.257 537 H SER 75 H SER 75 17.959 -4.300 -1.576 538 HA SER 75 HA SER 75 16.520 -2.736 -3.443 539 HB2 SER 75 1HB SER 75 19.405 -2.494 -2.556 540 HB3 SER 75 2HB SER 75 18.489 -1.252 -3.410 541 HG SER 75 HG SER 75 16.964 -1.605 -1.496 542 H SER 76 H SER 76 16.231 -3.427 -5.469 543 HA SER 76 HA SER 76 17.661 -5.191 -6.956 544 HB2 SER 76 1HB SER 76 16.696 -4.192 -8.945 545 HB3 SER 76 2HB SER 76 15.508 -4.131 -7.643 546 HG SER 76 HG SER 76 17.002 -2.051 -8.795 547 H GLY 77 H GLY 77 19.828 -5.221 -7.077 548 HA2 GLY 77 1HA GLY 77 21.246 -3.561 -8.787 549 HA3 GLY 77 2HA GLY 77 21.454 -2.894 -7.175 Start of MODEL 6 1 H1 GLY 1 H GLY 1 19.094 -13.226 -10.827 2 HA2 GLY 1 1HA GLY 1 17.532 -11.641 -9.898 3 HA3 GLY 1 2HA GLY 1 19.066 -11.380 -9.081 4 H SER 2 H SER 2 18.239 -9.214 -8.694 5 HA SER 2 HA SER 2 19.134 -7.395 -10.751 6 HB2 SER 2 1HB SER 2 16.280 -7.204 -9.760 7 HB3 SER 2 2HB SER 2 17.068 -6.127 -10.913 8 HG SER 2 HG SER 2 17.324 -8.019 -12.269 9 H SER 3 H SER 3 19.190 -5.144 -9.982 10 HA SER 3 HA SER 3 20.361 -4.910 -7.475 11 HB2 SER 3 1HB SER 3 20.525 -3.282 -9.416 12 HB3 SER 3 2HB SER 3 18.960 -2.647 -8.907 13 HG SER 3 HG SER 3 21.457 -2.411 -7.709 14 H GLY 4 H GLY 4 19.394 -5.374 -5.605 15 HA2 GLY 4 1HA GLY 4 17.939 -5.205 -3.835 16 HA3 GLY 4 2HA GLY 4 17.267 -3.783 -4.619 17 H SER 5 H SER 5 15.192 -4.494 -3.859 18 HA SER 5 HA SER 5 14.120 -6.925 -5.061 19 HB2 SER 5 1HB SER 5 12.209 -6.609 -3.623 20 HB3 SER 5 2HB SER 5 13.664 -6.353 -2.660 21 HG SER 5 HG SER 5 11.925 -4.750 -2.432 22 H SER 6 H SER 6 13.396 -6.776 -7.074 23 HA SER 6 HA SER 6 12.947 -4.675 -8.666 24 HB2 SER 6 1HB SER 6 11.575 -7.325 -8.496 25 HB3 SER 6 2HB SER 6 10.943 -6.122 -9.620 26 HG SER 6 HG SER 6 12.447 -7.211 -10.765 27 H GLY 7 H GLY 7 10.524 -5.983 -6.417 28 HA2 GLY 7 1HA GLY 7 8.714 -3.780 -7.016 29 HA3 GLY 7 2HA GLY 7 8.381 -5.146 -5.962 30 H GLN 8 H GLN 8 8.082 -2.190 -5.600 31 HA GLN 8 HA GLN 8 9.983 -1.594 -3.486 32 HB2 GLN 8 1HB GLN 8 7.728 -0.024 -4.730 33 HB3 GLN 8 2HB GLN 8 8.647 0.561 -3.349 34 HG2 GLN 8 1HG GLN 8 10.716 0.284 -4.759 35 HG3 GLN 8 2HG GLN 8 9.640 0.013 -6.129 36 HE21 GLN 8 1HE2 GLN 8 10.758 2.323 -3.772 37 HE22 GLN 8 2HE2 GLN 8 10.182 3.733 -4.588 38 H TYR 9 H TYR 9 9.556 -2.854 -1.738 39 HA TYR 9 HA TYR 9 6.832 -3.144 -0.772 40 HB2 TYR 9 1HB TYR 9 9.380 -4.189 0.471 41 HB3 TYR 9 2HB TYR 9 7.736 -4.715 0.817 42 HD1 TYR 9 2HD TYR 9 6.456 -5.350 -1.558 43 HD2 TYR 9 1HD TYR 9 10.610 -5.722 -0.718 44 HE1 TYR 9 2HE TYR 9 6.644 -7.088 -3.288 45 HE2 TYR 9 1HE TYR 9 10.810 -7.460 -2.447 46 HH TYR 9 HH TYR 9 8.798 -7.944 -4.808 47 H PHE 10 H PHE 10 5.945 -2.000 0.826 48 HA PHE 10 HA PHE 10 7.710 -0.337 2.498 49 HB2 PHE 10 1HB PHE 10 5.235 0.398 0.993 50 HB3 PHE 10 2HB PHE 10 5.561 1.201 2.526 51 HD1 PHE 10 1HD PHE 10 7.320 0.317 -0.643 52 HD2 PHE 10 2HD PHE 10 6.759 3.156 2.478 53 HE1 PHE 10 1HE PHE 10 8.843 1.873 -1.789 54 HE2 PHE 10 2HE PHE 10 8.280 4.717 1.337 55 HZ PHE 10 HZ PHE 10 9.324 4.077 -0.800 56 H VAL 11 H VAL 11 6.936 0.138 4.623 57 HA VAL 11 HA VAL 11 4.993 -1.849 5.606 58 HB VAL 11 HB VAL 11 7.222 -2.274 6.476 59 HG11 VAL 11 1HG1 VAL 11 7.455 0.508 6.486 60 HG12 VAL 11 2HG1 VAL 11 7.514 0.027 8.183 61 HG13 VAL 11 3HG1 VAL 11 8.654 -0.666 7.028 62 HG21 VAL 11 1HG2 VAL 11 6.638 -2.549 8.706 63 HG22 VAL 11 2HG2 VAL 11 5.732 -1.037 8.761 64 HG23 VAL 11 3HG2 VAL 11 5.072 -2.431 7.905 65 H ALA 12 H ALA 12 3.335 -1.201 6.894 66 HA ALA 12 HA ALA 12 2.753 1.631 6.953 67 HB1 ALA 12 1HB ALA 12 0.894 0.325 6.404 68 HB2 ALA 12 2HB ALA 12 1.206 -0.828 7.703 69 HB3 ALA 12 3HB ALA 12 0.618 0.791 8.083 70 H LEU 13 H LEU 13 3.896 2.727 8.453 71 HA LEU 13 HA LEU 13 4.748 1.746 10.933 72 HB2 LEU 13 1HB LEU 13 4.154 4.631 10.323 73 HB3 LEU 13 2HB LEU 13 5.318 3.989 11.481 74 HG LEU 13 HG LEU 13 5.682 3.376 8.585 75 HD11 LEU 13 1HD1 LEU 13 7.188 5.684 9.196 76 HD12 LEU 13 2HD1 LEU 13 5.509 6.029 9.606 77 HD13 LEU 13 3HD1 LEU 13 5.926 5.492 7.980 78 HD21 LEU 13 1HD2 LEU 13 7.361 2.337 9.680 79 HD22 LEU 13 2HD2 LEU 13 7.274 3.420 11.070 80 HD23 LEU 13 3HD2 LEU 13 8.104 3.935 9.601 81 H PHE 14 H PHE 14 1.802 3.424 9.983 82 HA PHE 14 HA PHE 14 0.675 2.782 12.621 83 HB2 PHE 14 1HB PHE 14 -0.019 5.313 11.136 84 HB3 PHE 14 2HB PHE 14 -0.391 4.894 12.805 85 HD1 PHE 14 1HD PHE 14 1.698 4.481 14.337 86 HD2 PHE 14 2HD PHE 14 1.756 6.708 10.710 87 HE1 PHE 14 1HE PHE 14 3.738 5.637 15.083 88 HE2 PHE 14 2HE PHE 14 3.796 7.867 11.450 89 HZ PHE 14 HZ PHE 14 4.790 7.331 13.639 90 H ASP 15 H ASP 15 -1.769 2.906 12.584 91 HA ASP 15 HA ASP 15 -2.704 1.397 10.295 92 HB2 ASP 15 1HB ASP 15 -4.872 1.387 11.715 93 HB3 ASP 15 2HB ASP 15 -3.480 0.479 12.298 94 H TYR 16 H TYR 16 -4.347 1.991 8.902 95 HA TYR 16 HA TYR 16 -5.392 4.722 9.118 96 HB2 TYR 16 1HB TYR 16 -3.520 4.970 7.634 97 HB3 TYR 16 2HB TYR 16 -3.999 3.554 6.704 98 HD1 TYR 16 2HD TYR 16 -4.919 7.044 7.518 99 HD2 TYR 16 1HD TYR 16 -5.566 3.726 4.934 100 HE1 TYR 16 2HE TYR 16 -6.206 8.487 5.997 101 HE2 TYR 16 1HE TYR 16 -6.854 5.160 3.406 102 HH TYR 16 HH TYR 16 -8.265 7.613 3.935 103 H GLN 17 H GLN 17 -7.338 5.093 7.941 104 HA GLN 17 HA GLN 17 -8.714 2.638 7.075 105 HB2 GLN 17 1HB GLN 17 -9.801 4.898 8.757 106 HB3 GLN 17 2HB GLN 17 -10.816 3.679 7.998 107 HG2 GLN 17 1HG GLN 17 -10.594 2.760 10.060 108 HG3 GLN 17 2HG GLN 17 -9.198 2.033 9.265 109 HE21 GLN 17 1HE2 GLN 17 -9.035 2.013 11.859 110 HE22 GLN 17 2HE2 GLN 17 -7.979 3.235 12.471 111 H ALA 18 H ALA 18 -8.958 2.804 4.945 112 HA ALA 18 HA ALA 18 -8.871 5.107 3.410 113 HB1 ALA 18 1HB ALA 18 -8.757 3.481 1.897 114 HB2 ALA 18 2HB ALA 18 -9.524 2.324 2.986 115 HB3 ALA 18 3HB ALA 18 -10.516 3.382 1.983 116 H ARG 19 H ARG 19 -10.135 6.828 3.775 117 HA ARG 19 HA ARG 19 -12.694 6.844 4.848 118 HB2 ARG 19 1HB ARG 19 -11.342 8.819 3.006 119 HB3 ARG 19 2HB ARG 19 -12.885 9.125 3.792 120 HG2 ARG 19 1HG ARG 19 -11.810 8.884 5.980 121 HG3 ARG 19 2HG ARG 19 -10.263 8.608 5.178 122 HD2 ARG 19 1HD ARG 19 -11.814 11.061 4.506 123 HD3 ARG 19 2HD ARG 19 -10.948 10.999 6.041 124 HE ARG 19 HE ARG 19 -9.813 11.341 3.455 125 HH11 ARG 19 2HH1 ARG 19 -9.232 9.941 6.589 126 HH12 ARG 19 1HH1 ARG 19 -7.507 10.032 6.454 127 HH21 ARG 19 2HH2 ARG 19 -7.544 11.467 3.266 128 HH22 ARG 19 1HH2 ARG 19 -6.548 10.902 4.564 129 H THR 20 H THR 20 -11.715 6.922 1.432 130 HA THR 20 HA THR 20 -14.503 6.340 0.687 131 HB THR 20 HB THR 20 -13.922 7.118 -1.572 132 HG1 THR 20 1HG THR 20 -11.883 7.270 -2.084 133 HG21 THR 20 1HG2 THR 20 -13.307 9.549 -0.853 134 HG22 THR 20 2HG2 THR 20 -13.490 8.915 0.782 135 HG23 THR 20 3HG2 THR 20 -14.844 8.853 -0.345 136 H ALA 21 H ALA 21 -14.688 4.991 -1.361 137 HA ALA 21 HA ALA 21 -13.516 2.461 -0.899 138 HB1 ALA 21 1HB ALA 21 -15.072 3.529 -3.248 139 HB2 ALA 21 2HB ALA 21 -14.590 1.841 -3.066 140 HB3 ALA 21 3HB ALA 21 -15.685 2.577 -1.895 141 H GLU 22 H GLU 22 -12.795 5.066 -3.160 142 HA GLU 22 HA GLU 22 -11.065 3.781 -4.892 143 HB2 GLU 22 1HB GLU 22 -11.355 6.582 -3.932 144 HB3 GLU 22 2HB GLU 22 -9.879 6.170 -4.794 145 HG2 GLU 22 1HG GLU 22 -12.706 6.065 -5.783 146 HG3 GLU 22 2HG GLU 22 -11.351 6.998 -6.417 147 H ASP 23 H ASP 23 -10.377 5.213 -1.728 148 HA ASP 23 HA ASP 23 -7.580 4.621 -1.825 149 HB2 ASP 23 1HB ASP 23 -9.432 5.466 0.402 150 HB3 ASP 23 2HB ASP 23 -7.720 5.149 0.665 151 H LEU 24 H LEU 24 -6.616 3.318 0.078 152 HA LEU 24 HA LEU 24 -8.110 0.791 0.339 153 HB2 LEU 24 1HB LEU 24 -6.173 0.666 -1.207 154 HB3 LEU 24 2HB LEU 24 -5.121 1.116 0.133 155 HG LEU 24 HG LEU 24 -6.041 -0.997 1.286 156 HD11 LEU 24 1HD1 LEU 24 -7.680 -2.004 0.153 157 HD12 LEU 24 2HD1 LEU 24 -6.401 -2.613 -0.896 158 HD13 LEU 24 3HD1 LEU 24 -7.289 -1.158 -1.345 159 HD21 LEU 24 1HD2 LEU 24 -4.065 -1.890 0.769 160 HD22 LEU 24 2HD2 LEU 24 -3.821 -0.485 -0.268 161 HD23 LEU 24 3HD2 LEU 24 -4.463 -1.982 -0.947 162 H SER 25 H SER 25 -7.994 -0.301 2.293 163 HA SER 25 HA SER 25 -7.122 1.348 4.551 164 HB2 SER 25 1HB SER 25 -8.498 -0.298 5.897 165 HB3 SER 25 2HB SER 25 -9.408 0.668 4.736 166 HG SER 25 HG SER 25 -8.413 -1.899 4.098 167 H PHE 26 H PHE 26 -5.860 0.502 6.241 168 HA PHE 26 HA PHE 26 -4.761 -2.139 6.117 169 HB2 PHE 26 1HB PHE 26 -2.400 -1.416 5.812 170 HB3 PHE 26 2HB PHE 26 -3.390 -1.156 4.379 171 HD1 PHE 26 1HD PHE 26 -4.228 1.158 3.887 172 HD2 PHE 26 2HD PHE 26 -1.284 0.361 6.857 173 HE1 PHE 26 1HE PHE 26 -3.551 3.523 3.847 174 HE2 PHE 26 2HE PHE 26 -0.604 2.725 6.821 175 HZ PHE 26 HZ PHE 26 -1.738 4.310 5.316 176 H ARG 27 H ARG 27 -3.046 -2.439 7.828 177 HA ARG 27 HA ARG 27 -3.457 -0.562 10.060 178 HB2 ARG 27 1HB ARG 27 -3.348 -3.579 10.229 179 HB3 ARG 27 2HB ARG 27 -3.458 -2.484 11.600 180 HG2 ARG 27 1HG ARG 27 -5.605 -1.637 10.382 181 HG3 ARG 27 2HG ARG 27 -5.524 -3.208 9.582 182 HD2 ARG 27 1HD ARG 27 -5.604 -2.728 12.560 183 HD3 ARG 27 2HD ARG 27 -6.943 -3.299 11.565 184 HE ARG 27 HE ARG 27 -4.635 -4.970 11.351 185 HH11 ARG 27 2HH1 ARG 27 -7.422 -4.249 13.310 186 HH12 ARG 27 1HH1 ARG 27 -7.505 -5.834 14.005 187 HH21 ARG 27 2HH2 ARG 27 -4.734 -7.060 12.260 188 HH22 ARG 27 1HH2 ARG 27 -5.975 -7.431 13.408 189 H ALA 28 H ALA 28 -1.759 -0.666 11.723 190 HA ALA 28 HA ALA 28 0.768 -0.242 10.758 191 HB1 ALA 28 1HB ALA 28 0.486 0.513 12.909 192 HB2 ALA 28 2HB ALA 28 -0.268 -0.986 13.453 193 HB3 ALA 28 3HB ALA 28 1.474 -0.923 13.184 194 H GLY 29 H GLY 29 2.125 -1.533 9.710 195 HA2 GLY 29 1HA GLY 29 3.651 -3.399 9.811 196 HA3 GLY 29 2HA GLY 29 2.401 -4.317 10.637 197 H ASP 30 H ASP 30 0.242 -3.678 8.920 198 HA ASP 30 HA ASP 30 0.112 -5.677 7.156 199 HB2 ASP 30 1HB ASP 30 -1.022 -2.919 7.072 200 HB3 ASP 30 2HB ASP 30 -1.208 -3.936 5.645 201 H LYS 31 H LYS 31 1.577 -6.386 5.755 202 HA LYS 31 HA LYS 31 3.533 -4.765 4.521 203 HB2 LYS 31 1HB LYS 31 2.598 -7.589 4.103 204 HB3 LYS 31 2HB LYS 31 3.784 -6.869 3.021 205 HG2 LYS 31 1HG LYS 31 4.159 -6.922 5.998 206 HG3 LYS 31 2HG LYS 31 4.671 -8.249 4.953 207 HD2 LYS 31 1HD LYS 31 6.046 -6.647 3.662 208 HD3 LYS 31 2HD LYS 31 5.588 -5.377 4.799 209 HE2 LYS 31 1HE LYS 31 7.587 -6.035 5.701 210 HE3 LYS 31 2HE LYS 31 6.484 -7.096 6.574 211 HZ1 LYS 31 1HZ LYS 31 8.301 -8.391 5.793 212 HZ2 LYS 31 2HZ LYS 31 8.147 -7.793 4.218 213 HZ3 LYS 31 3HZ LYS 31 6.954 -8.808 4.858 214 H LEU 32 H LEU 32 3.221 -3.341 2.952 215 HA LEU 32 HA LEU 32 1.263 -3.975 0.846 216 HB2 LEU 32 1HB LEU 32 1.832 -1.243 1.985 217 HB3 LEU 32 2HB LEU 32 0.691 -1.619 0.696 218 HG LEU 32 HG LEU 32 0.343 -2.844 3.403 219 HD11 LEU 32 1HD1 LEU 32 0.581 -0.153 3.206 220 HD12 LEU 32 2HD1 LEU 32 -0.435 -0.982 4.385 221 HD13 LEU 32 3HD1 LEU 32 -1.142 -0.364 2.892 222 HD21 LEU 32 1HD2 LEU 32 -1.472 -2.102 1.117 223 HD22 LEU 32 2HD2 LEU 32 -2.057 -2.636 2.693 224 HD23 LEU 32 3HD2 LEU 32 -1.074 -3.717 1.705 225 H GLN 33 H GLN 33 1.949 -3.748 -1.206 226 HA GLN 33 HA GLN 33 4.705 -2.821 -1.595 227 HB2 GLN 33 1HB GLN 33 4.371 -5.062 -2.370 228 HB3 GLN 33 2HB GLN 33 2.919 -4.603 -3.251 229 HG2 GLN 33 1HG GLN 33 4.579 -3.017 -4.520 230 HG3 GLN 33 2HG GLN 33 5.777 -4.175 -3.945 231 HE21 GLN 33 1HE2 GLN 33 6.246 -4.930 -5.990 232 HE22 GLN 33 2HE2 GLN 33 5.148 -5.907 -6.898 233 H VAL 34 H VAL 34 5.087 -0.947 -2.565 234 HA VAL 34 HA VAL 34 2.930 0.652 -3.573 235 HB VAL 34 HB VAL 34 5.909 1.158 -3.596 236 HG11 VAL 34 1HG1 VAL 34 5.574 3.141 -4.593 237 HG12 VAL 34 2HG1 VAL 34 4.073 2.411 -5.165 238 HG13 VAL 34 3HG1 VAL 34 4.066 3.435 -3.728 239 HG21 VAL 34 1HG2 VAL 34 4.989 2.880 -1.799 240 HG22 VAL 34 2HG2 VAL 34 3.743 1.644 -1.622 241 HG23 VAL 34 3HG2 VAL 34 5.439 1.231 -1.366 242 H LEU 35 H LEU 35 2.173 0.666 -5.577 243 HA LEU 35 HA LEU 35 3.763 -0.575 -7.703 244 HB2 LEU 35 1HB LEU 35 0.860 0.215 -7.790 245 HB3 LEU 35 2HB LEU 35 1.721 -0.834 -8.915 246 HG LEU 35 HG LEU 35 1.219 -1.520 -6.022 247 HD11 LEU 35 1HD1 LEU 35 -0.594 -2.893 -6.738 248 HD12 LEU 35 2HD1 LEU 35 -0.273 -2.532 -8.434 249 HD13 LEU 35 3HD1 LEU 35 -0.874 -1.267 -7.363 250 HD21 LEU 35 1HD2 LEU 35 1.747 -3.534 -8.131 251 HD22 LEU 35 2HD2 LEU 35 2.202 -3.528 -6.426 252 HD23 LEU 35 3HD2 LEU 35 3.108 -2.554 -7.585 253 H ASP 36 H ASP 36 1.595 2.228 -7.289 254 HA ASP 36 HA ASP 36 3.099 3.600 -9.413 255 HB2 ASP 36 1HB ASP 36 0.483 3.224 -9.422 256 HB3 ASP 36 2HB ASP 36 0.496 4.639 -8.373 257 H THR 37 H THR 37 4.147 5.473 -9.021 258 HA THR 37 HA THR 37 3.847 6.688 -6.356 259 HB THR 37 HB THR 37 6.289 7.144 -6.342 260 HG1 THR 37 1HG THR 37 7.595 6.179 -7.866 261 HG21 THR 37 1HG2 THR 37 6.481 4.282 -6.551 262 HG22 THR 37 2HG2 THR 37 4.963 4.735 -5.775 263 HG23 THR 37 3HG2 THR 37 6.496 5.298 -5.110 264 H SER 38 H SER 38 2.571 7.545 -8.728 265 HA SER 38 HA SER 38 4.092 9.839 -9.681 266 HB2 SER 38 1HB SER 38 2.812 8.490 -11.303 267 HB3 SER 38 2HB SER 38 1.322 8.885 -10.447 268 HG SER 38 HG SER 38 1.579 10.288 -12.183 269 H HIS 39 H HIS 39 0.844 9.295 -8.306 270 HA HIS 39 HA HIS 39 0.364 12.028 -7.758 271 HB2 HIS 39 1HB HIS 39 -1.407 10.280 -7.979 272 HB3 HIS 39 2HB HIS 39 -0.906 9.631 -6.421 273 HD1 HIS 39 1HD HIS 39 -3.767 10.693 -6.868 274 HD2 HIS 39 2HD HIS 39 -0.646 12.946 -5.303 275 HE1 HIS 39 1HE HIS 39 -4.862 12.531 -5.546 276 HE2 HIS 39 2HE HIS 39 -2.955 13.930 -4.679 277 H GLU 40 H GLU 40 2.150 12.851 -6.647 278 HA GLU 40 HA GLU 40 3.523 11.908 -4.519 279 HB2 GLU 40 1HB GLU 40 3.621 14.221 -5.722 280 HB3 GLU 40 2HB GLU 40 2.559 14.745 -4.423 281 HG2 GLU 40 1HG GLU 40 5.331 13.612 -4.154 282 HG3 GLU 40 2HG GLU 40 4.820 15.270 -3.846 283 H GLY 41 H GLY 41 3.235 11.558 -2.378 284 HA2 GLY 41 1HA GLY 41 2.205 11.726 -0.281 285 HA3 GLY 41 2HA GLY 41 0.872 12.593 -1.029 286 H TRP 42 H TRP 42 -0.012 10.909 -2.946 287 HA TRP 42 HA TRP 42 -0.912 8.593 -1.370 288 HB2 TRP 42 1HB TRP 42 -2.236 10.048 -3.668 289 HB3 TRP 42 2HB TRP 42 -2.862 8.570 -2.943 290 HD1 TRP 42 HD TRP 42 -2.545 12.310 -2.320 291 HE1 TRP 42 1HE TRP 42 -3.988 12.943 -0.285 292 HE3 TRP 42 3HE TRP 42 -3.786 7.618 -0.713 293 HZ2 TRP 42 2HZ TRP 42 -5.458 11.627 1.734 294 HZ3 TRP 42 3HZ TRP 42 -5.214 7.392 1.278 295 HH2 TRP 42 HH TRP 42 -6.031 9.357 2.475 296 H TRP 43 H TRP 43 -0.068 6.705 -1.920 297 HA TRP 43 HA TRP 43 0.831 6.318 -4.698 298 HB2 TRP 43 1HB TRP 43 1.794 5.027 -2.138 299 HB3 TRP 43 2HB TRP 43 2.320 4.543 -3.747 300 HD1 TRP 43 HD TRP 43 2.358 7.830 -4.607 301 HE1 TRP 43 1HE TRP 43 4.496 9.112 -3.965 302 HE3 TRP 43 3HE TRP 43 4.170 4.651 -1.037 303 HZ2 TRP 43 2HZ TRP 43 6.663 8.815 -2.181 304 HZ3 TRP 43 3HZ TRP 43 6.282 5.223 0.090 305 HH2 TRP 43 HH TRP 43 7.501 7.262 -0.472 306 H LEU 44 H LEU 44 0.417 4.325 -5.727 307 HA LEU 44 HA LEU 44 -2.008 3.016 -4.759 308 HB2 LEU 44 1HB LEU 44 -2.074 3.803 -7.029 309 HB3 LEU 44 2HB LEU 44 -0.586 2.940 -7.414 310 HG LEU 44 HG LEU 44 -1.903 0.807 -6.893 311 HD11 LEU 44 1HD1 LEU 44 -4.004 2.868 -6.685 312 HD12 LEU 44 2HD1 LEU 44 -3.880 1.287 -5.916 313 HD13 LEU 44 3HD1 LEU 44 -4.419 1.412 -7.590 314 HD21 LEU 44 1HD2 LEU 44 -1.702 0.714 -9.103 315 HD22 LEU 44 2HD2 LEU 44 -1.773 2.471 -9.239 316 HD23 LEU 44 3HD2 LEU 44 -3.263 1.526 -9.225 317 H ALA 45 H ALA 45 -1.412 1.533 -3.251 318 HA ALA 45 HA ALA 45 0.559 -0.498 -4.076 319 HB1 ALA 45 1HB ALA 45 1.018 -0.901 -1.741 320 HB2 ALA 45 2HB ALA 45 1.209 0.818 -2.089 321 HB3 ALA 45 3HB ALA 45 -0.239 0.240 -1.264 322 H ARG 46 H ARG 46 0.156 -2.692 -3.161 323 HA ARG 46 HA ARG 46 -2.725 -3.264 -2.947 324 HB2 ARG 46 1HB ARG 46 -2.528 -5.154 -4.358 325 HB3 ARG 46 2HB ARG 46 -1.689 -3.850 -5.188 326 HG2 ARG 46 1HG ARG 46 0.447 -4.728 -4.518 327 HG3 ARG 46 2HG ARG 46 -0.334 -5.965 -3.530 328 HD2 ARG 46 1HD ARG 46 0.254 -7.081 -5.499 329 HD3 ARG 46 2HD ARG 46 -1.461 -6.723 -5.695 330 HE ARG 46 HE ARG 46 0.284 -4.728 -6.814 331 HH11 ARG 46 2HH1 ARG 46 -1.370 -7.739 -7.379 332 HH12 ARG 46 1HH1 ARG 46 -1.392 -7.554 -9.101 333 HH21 ARG 46 2HH2 ARG 46 0.261 -4.473 -9.080 334 HH22 ARG 46 1HH2 ARG 46 -0.463 -5.696 -10.068 335 H HIS 47 H HIS 47 -3.304 -5.083 -1.686 336 HA HIS 47 HA HIS 47 -1.810 -5.428 0.662 337 HB2 HIS 47 1HB HIS 47 -4.220 -6.705 -0.526 338 HB3 HIS 47 2HB HIS 47 -3.412 -7.565 0.781 339 HD1 HIS 47 1HD HIS 47 -2.978 -5.906 2.985 340 HD2 HIS 47 2HD HIS 47 -6.063 -4.951 0.371 341 HE1 HIS 47 1HE HIS 47 -4.507 -4.383 4.277 342 HE2 HIS 47 2HE HIS 47 -6.410 -3.887 2.703 343 H LEU 48 H LEU 48 -0.292 -6.860 1.280 344 HA LEU 48 HA LEU 48 0.638 -8.776 -0.741 345 HB2 LEU 48 1HB LEU 48 2.023 -7.517 1.616 346 HB3 LEU 48 2HB LEU 48 2.730 -8.805 0.644 347 HG LEU 48 HG LEU 48 1.891 -6.163 -0.526 348 HD11 LEU 48 1HD1 LEU 48 4.173 -5.422 -0.340 349 HD12 LEU 48 2HD1 LEU 48 4.641 -6.936 0.432 350 HD13 LEU 48 3HD1 LEU 48 3.561 -5.819 1.266 351 HD21 LEU 48 1HD2 LEU 48 3.863 -7.027 -2.077 352 HD22 LEU 48 2HD2 LEU 48 2.189 -7.524 -2.325 353 HD23 LEU 48 3HD2 LEU 48 3.309 -8.590 -1.476 354 H GLU 49 H GLU 49 -0.246 -8.473 2.660 355 HA GLU 49 HA GLU 49 0.403 -10.996 3.583 356 HB2 GLU 49 1HB GLU 49 -1.741 -9.035 4.304 357 HB3 GLU 49 2HB GLU 49 -1.749 -10.630 5.044 358 HG2 GLU 49 1HG GLU 49 0.703 -8.913 5.086 359 HG3 GLU 49 2HG GLU 49 -0.581 -8.715 6.278 360 H LYS 50 H LYS 50 -0.158 -12.945 2.910 361 HA LYS 50 HA LYS 50 -2.451 -13.305 1.179 362 HB2 LYS 50 1HB LYS 50 -0.153 -15.016 2.046 363 HB3 LYS 50 2HB LYS 50 -1.575 -15.774 1.341 364 HG2 LYS 50 1HG LYS 50 -1.221 -14.833 -0.727 365 HG3 LYS 50 2HG LYS 50 -0.277 -13.493 -0.074 366 HD2 LYS 50 1HD LYS 50 0.782 -16.262 0.223 367 HD3 LYS 50 2HD LYS 50 0.879 -15.485 -1.360 368 HE2 LYS 50 1HE LYS 50 2.025 -13.567 -0.304 369 HE3 LYS 50 2HE LYS 50 1.991 -14.424 1.237 370 HZ1 LYS 50 1HZ LYS 50 3.612 -14.944 -1.145 371 HZ2 LYS 50 2HZ LYS 50 3.151 -16.267 -0.198 372 HZ3 LYS 50 3HZ LYS 50 4.044 -15.007 0.490 373 H LYS 51 H LYS 51 -4.325 -13.198 2.312 374 HA LYS 51 HA LYS 51 -4.596 -14.861 4.716 375 HB2 LYS 51 1HB LYS 51 -5.271 -12.310 4.490 376 HB3 LYS 51 2HB LYS 51 -6.742 -12.992 3.808 377 HG2 LYS 51 1HG LYS 51 -7.365 -12.882 5.985 378 HG3 LYS 51 2HG LYS 51 -6.627 -14.486 5.989 379 HD2 LYS 51 1HD LYS 51 -4.960 -12.074 6.582 380 HD3 LYS 51 2HD LYS 51 -5.996 -12.758 7.838 381 HE2 LYS 51 1HE LYS 51 -3.731 -14.088 6.369 382 HE3 LYS 51 2HE LYS 51 -3.858 -13.753 8.095 383 HZ1 LYS 51 1HZ LYS 51 -6.025 -15.272 7.672 384 HZ2 LYS 51 2HZ LYS 51 -4.533 -15.870 8.197 385 HZ3 LYS 51 3HZ LYS 51 -4.944 -15.945 6.558 386 H GLY 52 H GLY 52 -6.645 -13.940 1.935 387 HA2 GLY 52 1HA GLY 52 -7.131 -16.235 0.682 388 HA3 GLY 52 2HA GLY 52 -8.056 -16.482 2.156 389 H THR 53 H THR 53 -8.958 -13.824 2.511 390 HA THR 53 HA THR 53 -10.723 -13.515 0.169 391 HB THR 53 HB THR 53 -11.992 -14.409 2.047 392 HG1 THR 53 1HG THR 53 -12.450 -11.700 1.337 393 HG21 THR 53 1HG2 THR 53 -12.066 -13.480 4.174 394 HG22 THR 53 2HG2 THR 53 -11.465 -11.916 3.622 395 HG23 THR 53 3HG2 THR 53 -10.367 -13.291 3.743 396 H GLY 54 H GLY 54 -8.901 -11.926 2.715 397 HA2 GLY 54 1HA GLY 54 -7.841 -9.849 2.544 398 HA3 GLY 54 2HA GLY 54 -8.776 -9.516 1.094 399 H LEU 55 H LEU 55 -8.712 -7.400 2.470 400 HA LEU 55 HA LEU 55 -11.218 -7.327 4.011 401 HB2 LEU 55 1HB LEU 55 -8.553 -6.140 4.657 402 HB3 LEU 55 2HB LEU 55 -10.025 -5.352 5.220 403 HG LEU 55 HG LEU 55 -10.602 -7.631 6.264 404 HD11 LEU 55 1HD1 LEU 55 -8.157 -8.591 6.911 405 HD12 LEU 55 2HD1 LEU 55 -7.890 -8.101 5.239 406 HD13 LEU 55 3HD1 LEU 55 -9.175 -9.244 5.627 407 HD21 LEU 55 1HD2 LEU 55 -8.401 -6.859 7.882 408 HD22 LEU 55 2HD2 LEU 55 -10.112 -6.493 8.103 409 HD23 LEU 55 3HD2 LEU 55 -9.091 -5.403 7.163 410 H GLY 56 H GLY 56 -12.110 -5.056 4.166 411 HA2 GLY 56 1HA GLY 56 -12.840 -3.117 3.169 412 HA3 GLY 56 2HA GLY 56 -11.325 -3.085 2.279 413 H GLN 57 H GLN 57 -12.320 -2.409 0.370 414 HA GLN 57 HA GLN 57 -14.296 -4.205 -0.824 415 HB2 GLN 57 1HB GLN 57 -13.315 -1.471 -1.655 416 HB3 GLN 57 2HB GLN 57 -14.496 -2.413 -2.556 417 HG2 GLN 57 1HG GLN 57 -14.802 -1.339 0.238 418 HG3 GLN 57 2HG GLN 57 -15.616 -0.762 -1.215 419 HE21 GLN 57 1HE2 GLN 57 -16.976 -1.554 1.075 420 HE22 GLN 57 2HE2 GLN 57 -17.883 -2.980 0.719 421 H GLN 58 H GLN 58 -11.316 -2.527 -1.846 422 HA GLN 58 HA GLN 58 -10.852 -4.702 -3.769 423 HB2 GLN 58 1HB GLN 58 -9.372 -3.137 -4.943 424 HB3 GLN 58 2HB GLN 58 -10.994 -2.480 -4.771 425 HG2 GLN 58 1HG GLN 58 -10.014 -1.345 -2.646 426 HG3 GLN 58 2HG GLN 58 -8.465 -1.654 -3.428 427 HE21 GLN 58 1HE2 GLN 58 -8.605 -1.073 -5.896 428 HE22 GLN 58 2HE2 GLN 58 -9.225 0.508 -6.216 429 H LEU 59 H LEU 59 -8.296 -4.757 -4.249 430 HA LEU 59 HA LEU 59 -7.081 -5.396 -1.655 431 HB2 LEU 59 1HB LEU 59 -5.500 -6.761 -2.995 432 HB3 LEU 59 2HB LEU 59 -7.182 -7.274 -3.119 433 HG LEU 59 HG LEU 59 -6.094 -5.463 -5.218 434 HD11 LEU 59 1HD1 LEU 59 -5.306 -8.311 -4.790 435 HD12 LEU 59 2HD1 LEU 59 -4.330 -6.944 -5.326 436 HD13 LEU 59 3HD1 LEU 59 -5.491 -7.683 -6.428 437 HD21 LEU 59 1HD2 LEU 59 -7.556 -7.388 -6.430 438 HD22 LEU 59 2HD2 LEU 59 -8.225 -5.880 -5.806 439 HD23 LEU 59 3HD2 LEU 59 -8.315 -7.352 -4.839 440 H GLN 60 H GLN 60 -6.753 -3.384 -4.458 441 HA GLN 60 HA GLN 60 -4.394 -2.133 -3.232 442 HB2 GLN 60 1HB GLN 60 -3.299 -1.893 -5.345 443 HB3 GLN 60 2HB GLN 60 -3.741 -3.586 -5.168 444 HG2 GLN 60 1HG GLN 60 -5.573 -3.341 -6.673 445 HG3 GLN 60 2HG GLN 60 -5.369 -1.591 -6.719 446 HE21 GLN 60 1HE2 GLN 60 -4.063 -0.733 -8.204 447 HE22 GLN 60 2HE2 GLN 60 -3.043 -1.632 -9.269 448 H GLY 61 H GLY 61 -4.431 0.049 -3.161 449 HA2 GLY 61 1HA GLY 61 -6.101 1.591 -4.944 450 HA3 GLY 61 2HA GLY 61 -6.687 1.540 -3.288 451 H TYR 62 H TYR 62 -6.368 3.896 -3.453 452 HA TYR 62 HA TYR 62 -3.638 4.854 -3.492 453 HB2 TYR 62 1HB TYR 62 -6.294 6.239 -3.114 454 HB3 TYR 62 2HB TYR 62 -4.751 7.083 -3.037 455 HD1 TYR 62 2HD TYR 62 -3.192 6.075 -5.196 456 HD2 TYR 62 1HD TYR 62 -7.389 6.762 -5.073 457 HE1 TYR 62 2HE TYR 62 -3.213 6.344 -7.640 458 HE2 TYR 62 1HE TYR 62 -7.422 7.031 -7.518 459 HH TYR 62 HH TYR 62 -5.089 6.023 -9.510 460 H ILE 63 H ILE 63 -2.375 4.934 -1.767 461 HA ILE 63 HA ILE 63 -3.606 5.290 0.881 462 HB ILE 63 HB ILE 63 -2.085 3.722 1.887 463 HG12 ILE 63 1HG1 ILE 63 -1.033 2.936 -0.817 464 HG13 ILE 63 2HG1 ILE 63 -0.277 4.238 0.095 465 HG21 ILE 63 1HG2 ILE 63 -2.720 1.691 0.170 466 HG22 ILE 63 2HG2 ILE 63 -3.785 2.347 1.413 467 HG23 ILE 63 3HG2 ILE 63 -3.910 2.923 -0.249 468 HD11 ILE 63 1HD1 ILE 63 0.887 2.757 1.242 469 HD12 ILE 63 2HD1 ILE 63 -0.604 2.019 1.829 470 HD13 ILE 63 3HD1 ILE 63 0.129 1.454 0.328 471 HA PRO 64 HA PRO 64 -0.679 8.525 1.432 472 HB2 PRO 64 1HB PRO 64 -0.508 8.539 4.142 473 HB3 PRO 64 2HB PRO 64 -1.919 9.143 3.265 474 HG2 PRO 64 1HG PRO 64 -1.508 6.495 4.600 475 HG3 PRO 64 2HG PRO 64 -2.934 7.548 4.620 476 HD2 PRO 64 1HD PRO 64 -2.754 5.368 3.023 477 HD3 PRO 64 2HD PRO 64 -3.651 6.826 2.551 478 H SER 65 H SER 65 1.491 8.751 1.503 479 HA SER 65 HA SER 65 3.104 6.407 1.909 480 HB2 SER 65 1HB SER 65 4.987 7.890 1.257 481 HB3 SER 65 2HB SER 65 3.656 7.943 0.101 482 HG SER 65 HG SER 65 3.301 9.968 0.595 483 H ASN 66 H ASN 66 2.822 9.584 3.477 484 HA ASN 66 HA ASN 66 4.791 9.401 5.374 485 HB2 ASN 66 1HB ASN 66 2.017 10.565 5.707 486 HB3 ASN 66 2HB ASN 66 3.374 10.878 6.786 487 HD21 ASN 66 1HD2 ASN 66 4.869 12.362 6.235 488 HD22 ASN 66 2HD2 ASN 66 4.819 13.301 4.785 489 H TYR 67 H TYR 67 1.795 7.659 5.223 490 HA TYR 67 HA TYR 67 1.791 6.807 7.957 491 HB2 TYR 67 1HB TYR 67 0.242 6.080 5.500 492 HB3 TYR 67 2HB TYR 67 0.159 5.032 6.912 493 HD1 TYR 67 1HD TYR 67 0.004 8.707 6.205 494 HD2 TYR 67 2HD TYR 67 -1.643 5.387 8.295 495 HE1 TYR 67 1HE TYR 67 -1.701 10.181 7.190 496 HE2 TYR 67 2HE TYR 67 -3.354 6.851 9.284 497 HH TYR 67 HH TYR 67 -3.281 10.336 8.819 498 H VAL 68 H VAL 68 3.108 5.597 4.955 499 HA VAL 68 HA VAL 68 4.087 3.198 6.354 500 HB VAL 68 HB VAL 68 4.388 2.153 4.203 501 HG11 VAL 68 1HG1 VAL 68 2.248 1.670 4.832 502 HG12 VAL 68 2HG1 VAL 68 1.752 3.363 4.851 503 HG13 VAL 68 3HG1 VAL 68 1.924 2.511 3.316 504 HG21 VAL 68 1HG2 VAL 68 3.824 3.253 2.114 505 HG22 VAL 68 2HG2 VAL 68 3.405 4.731 2.980 506 HG23 VAL 68 3HG2 VAL 68 5.074 4.163 2.961 507 H ALA 69 H ALA 69 6.215 2.421 5.054 508 HA ALA 69 HA ALA 69 8.017 4.568 4.399 509 HB1 ALA 69 1HB ALA 69 9.614 4.141 6.201 510 HB2 ALA 69 2HB ALA 69 8.066 4.707 6.831 511 HB3 ALA 69 3HB ALA 69 8.486 2.997 6.930 512 H GLU 70 H GLU 70 10.386 3.536 4.353 513 HA GLU 70 HA GLU 70 10.150 1.272 2.566 514 HB2 GLU 70 1HB GLU 70 11.696 3.378 2.352 515 HB3 GLU 70 2HB GLU 70 12.770 2.459 3.398 516 HG2 GLU 70 1HG GLU 70 11.666 1.197 0.932 517 HG3 GLU 70 2HG GLU 70 13.021 2.319 0.818 518 H ASP 71 H ASP 71 9.896 -0.649 3.529 519 HA ASP 71 HA ASP 71 11.383 -1.270 5.962 520 HB2 ASP 71 1HB ASP 71 8.851 -1.821 5.407 521 HB3 ASP 71 2HB ASP 71 9.565 -3.243 4.651 522 H SER 72 H SER 72 13.205 -2.404 5.957 523 HA SER 72 HA SER 72 14.740 -3.045 3.837 524 HB2 SER 72 1HB SER 72 15.944 -4.616 5.236 525 HB3 SER 72 2HB SER 72 15.424 -3.254 6.229 526 HG SER 72 HG SER 72 13.474 -4.822 6.508 527 H GLY 73 H GLY 73 14.378 -4.200 2.069 528 HA2 GLY 73 1HA GLY 73 12.426 -6.366 2.121 529 HA3 GLY 73 2HA GLY 73 13.157 -5.657 0.689 530 HA PRO 74 HA PRO 74 15.233 -9.731 2.101 531 HB2 PRO 74 1HB PRO 74 13.988 -11.468 0.427 532 HB3 PRO 74 2HB PRO 74 13.400 -11.115 2.056 533 HG2 PRO 74 1HG PRO 74 12.473 -10.020 -0.571 534 HG3 PRO 74 2HG PRO 74 11.512 -10.566 0.815 535 HD2 PRO 74 1HD PRO 74 12.000 -7.949 0.321 536 HD3 PRO 74 2HD PRO 74 11.819 -8.592 1.966 537 H SER 75 H SER 75 17.172 -9.516 1.166 538 HA SER 75 HA SER 75 17.491 -10.147 -1.626 539 HB2 SER 75 1HB SER 75 18.787 -8.043 -2.110 540 HB3 SER 75 2HB SER 75 17.054 -7.798 -1.897 541 HG SER 75 HG SER 75 17.402 -6.813 -0.015 542 H SER 76 H SER 76 19.901 -9.984 -2.229 543 HA SER 76 HA SER 76 21.360 -11.542 -0.367 544 HB2 SER 76 1HB SER 76 21.968 -10.284 -3.014 545 HB3 SER 76 2HB SER 76 23.298 -10.911 -2.041 546 HG SER 76 HG SER 76 21.688 -12.838 -1.932 547 H GLY 77 H GLY 77 22.345 -10.855 1.407 548 HA2 GLY 77 1HA GLY 77 24.349 -9.332 1.950 549 HA3 GLY 77 2HA GLY 77 23.224 -8.048 1.534 Start of MODEL 7 1 H1 GLY 1 H GLY 1 15.728 11.401 -8.946 2 HA2 GLY 1 1HA GLY 1 13.715 10.893 -7.527 3 HA3 GLY 1 2HA GLY 1 12.847 10.750 -9.048 4 H SER 2 H SER 2 12.495 8.731 -9.648 5 HA SER 2 HA SER 2 14.349 6.645 -8.725 6 HB2 SER 2 1HB SER 2 11.432 6.596 -9.475 7 HB3 SER 2 2HB SER 2 12.384 5.113 -9.392 8 HG SER 2 HG SER 2 11.382 6.660 -7.377 9 H SER 3 H SER 3 15.439 5.391 -10.130 10 HA SER 3 HA SER 3 14.888 5.769 -13.001 11 HB2 SER 3 1HB SER 3 17.525 5.604 -11.546 12 HB3 SER 3 2HB SER 3 17.395 5.313 -13.280 13 HG SER 3 HG SER 3 17.636 7.413 -13.346 14 H GLY 4 H GLY 4 14.219 3.970 -13.951 15 HA2 GLY 4 1HA GLY 4 13.697 1.727 -14.198 16 HA3 GLY 4 2HA GLY 4 15.448 1.575 -14.165 17 H SER 5 H SER 5 12.757 2.003 -11.862 18 HA SER 5 HA SER 5 14.194 0.404 -9.898 19 HB2 SER 5 1HB SER 5 12.344 1.031 -8.377 20 HB3 SER 5 2HB SER 5 13.099 2.442 -9.116 21 HG SER 5 HG SER 5 10.563 1.353 -9.524 22 H SER 6 H SER 6 13.449 -1.529 -9.038 23 HA SER 6 HA SER 6 11.148 -2.783 -10.361 24 HB2 SER 6 1HB SER 6 13.886 -4.030 -10.029 25 HB3 SER 6 2HB SER 6 12.444 -4.907 -10.541 26 HG SER 6 HG SER 6 13.996 -3.918 -12.183 27 H GLY 7 H GLY 7 9.760 -3.093 -8.740 28 HA2 GLY 7 1HA GLY 7 8.893 -4.080 -6.841 29 HA3 GLY 7 2HA GLY 7 10.448 -4.859 -6.588 30 H GLN 8 H GLN 8 8.326 -2.803 -5.222 31 HA GLN 8 HA GLN 8 10.405 -1.638 -3.527 32 HB2 GLN 8 1HB GLN 8 8.211 -0.079 -4.894 33 HB3 GLN 8 2HB GLN 8 9.120 0.537 -3.521 34 HG2 GLN 8 1HG GLN 8 11.164 0.474 -4.769 35 HG3 GLN 8 2HG GLN 8 10.364 -0.330 -6.118 36 HE21 GLN 8 1HE2 GLN 8 10.808 2.661 -4.413 37 HE22 GLN 8 2HE2 GLN 8 10.113 3.688 -5.616 38 H TYR 9 H TYR 9 9.940 -2.595 -1.647 39 HA TYR 9 HA TYR 9 7.146 -2.900 -0.835 40 HB2 TYR 9 1HB TYR 9 9.540 -3.928 0.675 41 HB3 TYR 9 2HB TYR 9 7.880 -4.511 0.728 42 HD1 TYR 9 2HD TYR 9 7.119 -4.987 -1.971 43 HD2 TYR 9 1HD TYR 9 10.933 -5.555 -0.173 44 HE1 TYR 9 2HE TYR 9 7.658 -6.685 -3.666 45 HE2 TYR 9 1HE TYR 9 11.483 -7.255 -1.864 46 HH TYR 9 HH TYR 9 10.607 -8.592 -3.484 47 H PHE 10 H PHE 10 6.275 -1.932 0.944 48 HA PHE 10 HA PHE 10 7.999 -0.154 2.523 49 HB2 PHE 10 1HB PHE 10 5.513 0.564 1.008 50 HB3 PHE 10 2HB PHE 10 5.915 1.429 2.488 51 HD1 PHE 10 1HD PHE 10 7.451 0.389 -0.744 52 HD2 PHE 10 2HD PHE 10 7.249 3.299 2.356 53 HE1 PHE 10 1HE PHE 10 8.974 1.844 -2.015 54 HE2 PHE 10 2HE PHE 10 8.771 4.759 1.089 55 HZ PHE 10 HZ PHE 10 9.635 4.032 -1.100 56 H VAL 11 H VAL 11 7.279 0.275 4.642 57 HA VAL 11 HA VAL 11 5.254 -1.632 5.615 58 HB VAL 11 HB VAL 11 7.499 -2.090 6.479 59 HG11 VAL 11 1HG1 VAL 11 8.865 -0.565 7.478 60 HG12 VAL 11 2HG1 VAL 11 7.996 0.514 6.385 61 HG13 VAL 11 3HG1 VAL 11 7.524 0.408 8.081 62 HG21 VAL 11 1HG2 VAL 11 5.357 -2.349 7.858 63 HG22 VAL 11 2HG2 VAL 11 6.894 -2.384 8.721 64 HG23 VAL 11 3HG2 VAL 11 5.906 -0.923 8.740 65 H ALA 12 H ALA 12 3.694 -0.956 7.058 66 HA ALA 12 HA ALA 12 3.108 1.879 7.013 67 HB1 ALA 12 1HB ALA 12 1.619 -0.590 7.507 68 HB2 ALA 12 2HB ALA 12 1.149 0.755 8.547 69 HB3 ALA 12 3HB ALA 12 1.090 0.933 6.793 70 H LEU 13 H LEU 13 4.105 3.139 8.448 71 HA LEU 13 HA LEU 13 5.182 2.247 10.901 72 HB2 LEU 13 1HB LEU 13 4.500 5.050 10.025 73 HB3 LEU 13 2HB LEU 13 5.535 4.621 11.386 74 HG LEU 13 HG LEU 13 6.268 3.662 8.658 75 HD11 LEU 13 1HD1 LEU 13 7.654 6.042 9.014 76 HD12 LEU 13 2HD1 LEU 13 5.979 6.440 9.393 77 HD13 LEU 13 3HD1 LEU 13 6.383 5.722 7.834 78 HD21 LEU 13 1HD2 LEU 13 8.308 3.333 9.567 79 HD22 LEU 13 2HD2 LEU 13 7.388 3.297 11.072 80 HD23 LEU 13 3HD2 LEU 13 8.213 4.776 10.577 81 H PHE 14 H PHE 14 2.117 3.718 10.025 82 HA PHE 14 HA PHE 14 1.180 3.233 12.772 83 HB2 PHE 14 1HB PHE 14 0.184 5.539 11.109 84 HB3 PHE 14 2HB PHE 14 -0.016 5.271 12.837 85 HD1 PHE 14 1HD PHE 14 1.778 5.759 14.389 86 HD2 PHE 14 2HD PHE 14 2.233 6.437 10.212 87 HE1 PHE 14 1HE PHE 14 3.765 7.141 14.833 88 HE2 PHE 14 2HE PHE 14 4.221 7.818 10.649 89 HZ PHE 14 HZ PHE 14 4.990 8.171 12.962 90 H ASP 15 H ASP 15 -1.328 3.343 12.801 91 HA ASP 15 HA ASP 15 -2.245 1.440 10.815 92 HB2 ASP 15 1HB ASP 15 -4.311 1.379 12.233 93 HB3 ASP 15 2HB ASP 15 -2.833 0.964 13.097 94 H TYR 16 H TYR 16 -3.957 1.738 9.401 95 HA TYR 16 HA TYR 16 -5.131 4.411 9.211 96 HB2 TYR 16 1HB TYR 16 -3.243 4.534 7.708 97 HB3 TYR 16 2HB TYR 16 -3.687 3.005 6.958 98 HD1 TYR 16 2HD TYR 16 -4.459 6.576 7.194 99 HD2 TYR 16 1HD TYR 16 -5.517 2.883 5.366 100 HE1 TYR 16 2HE TYR 16 -5.799 7.792 5.528 101 HE2 TYR 16 1HE TYR 16 -6.859 4.088 3.694 102 HH TYR 16 HH TYR 16 -6.636 7.403 3.202 103 H GLN 17 H GLN 17 -7.035 4.490 7.836 104 HA GLN 17 HA GLN 17 -8.213 1.933 7.093 105 HB2 GLN 17 1HB GLN 17 -9.300 3.747 9.228 106 HB3 GLN 17 2HB GLN 17 -10.368 2.704 8.298 107 HG2 GLN 17 1HG GLN 17 -8.972 0.765 9.012 108 HG3 GLN 17 2HG GLN 17 -8.094 1.863 10.076 109 HE21 GLN 17 1HE2 GLN 17 -9.659 3.249 11.454 110 HE22 GLN 17 2HE2 GLN 17 -10.914 2.365 12.246 111 H ALA 18 H ALA 18 -8.662 2.308 5.021 112 HA ALA 18 HA ALA 18 -8.939 4.587 3.626 113 HB1 ALA 18 1HB ALA 18 -10.174 1.909 3.317 114 HB2 ALA 18 2HB ALA 18 -10.786 3.215 2.302 115 HB3 ALA 18 3HB ALA 18 -9.077 2.783 2.248 116 H ARG 19 H ARG 19 -10.512 6.085 3.112 117 HA ARG 19 HA ARG 19 -12.780 6.191 4.978 118 HB2 ARG 19 1HB ARG 19 -11.496 8.398 3.357 119 HB3 ARG 19 2HB ARG 19 -12.844 8.603 4.467 120 HG2 ARG 19 1HG ARG 19 -10.167 7.540 5.323 121 HG3 ARG 19 2HG ARG 19 -10.582 9.255 5.346 122 HD2 ARG 19 1HD ARG 19 -12.399 7.296 6.672 123 HD3 ARG 19 2HD ARG 19 -10.904 7.766 7.481 124 HE ARG 19 HE ARG 19 -13.251 9.392 7.074 125 HH11 ARG 19 2HH1 ARG 19 -9.837 9.362 7.754 126 HH12 ARG 19 1HH1 ARG 19 -9.841 10.921 8.508 127 HH21 ARG 19 2HH2 ARG 19 -13.269 11.447 8.065 128 HH22 ARG 19 1HH2 ARG 19 -11.794 12.106 8.685 129 H THR 20 H THR 20 -11.922 6.623 1.569 130 HA THR 20 HA THR 20 -14.780 6.509 0.880 131 HB THR 20 HB THR 20 -13.994 7.314 -1.393 132 HG1 THR 20 1HG THR 20 -11.931 7.868 -1.650 133 HG21 THR 20 1HG2 THR 20 -14.683 9.298 -0.649 134 HG22 THR 20 2HG2 THR 20 -13.148 9.551 0.180 135 HG23 THR 20 3HG2 THR 20 -14.471 8.726 1.005 136 H ALA 21 H ALA 21 -15.066 5.519 -1.438 137 HA ALA 21 HA ALA 21 -14.554 2.776 -1.252 138 HB1 ALA 21 1HB ALA 21 -15.058 3.069 -3.889 139 HB2 ALA 21 2HB ALA 21 -16.304 3.051 -2.641 140 HB3 ALA 21 3HB ALA 21 -15.703 4.587 -3.265 141 H GLU 22 H GLU 22 -13.027 5.228 -3.339 142 HA GLU 22 HA GLU 22 -11.085 3.355 -4.334 143 HB2 GLU 22 1HB GLU 22 -11.625 6.271 -4.717 144 HB3 GLU 22 2HB GLU 22 -10.058 5.626 -5.185 145 HG2 GLU 22 1HG GLU 22 -11.471 3.857 -6.464 146 HG3 GLU 22 2HG GLU 22 -12.754 5.057 -6.322 147 H ASP 23 H ASP 23 -10.200 2.661 -2.292 148 HA ASP 23 HA ASP 23 -7.775 3.934 -1.648 149 HB2 ASP 23 1HB ASP 23 -10.123 4.560 0.084 150 HB3 ASP 23 2HB ASP 23 -8.563 4.300 0.860 151 H LEU 24 H LEU 24 -6.604 2.822 0.088 152 HA LEU 24 HA LEU 24 -7.673 0.120 0.580 153 HB2 LEU 24 1HB LEU 24 -5.699 0.446 -1.069 154 HB3 LEU 24 2HB LEU 24 -4.743 0.704 0.389 155 HG LEU 24 HG LEU 24 -5.626 -1.582 1.145 156 HD11 LEU 24 1HD1 LEU 24 -6.204 -3.099 -0.714 157 HD12 LEU 24 2HD1 LEU 24 -6.275 -1.709 -1.796 158 HD13 LEU 24 3HD1 LEU 24 -7.411 -1.840 -0.454 159 HD21 LEU 24 1HD2 LEU 24 -3.689 -2.505 0.422 160 HD22 LEU 24 2HD2 LEU 24 -3.341 -0.834 -0.026 161 HD23 LEU 24 3HD2 LEU 24 -3.925 -1.971 -1.243 162 H SER 25 H SER 25 -7.545 -0.677 2.614 163 HA SER 25 HA SER 25 -6.613 1.169 4.685 164 HB2 SER 25 1HB SER 25 -8.910 0.335 4.895 165 HB3 SER 25 2HB SER 25 -8.317 -1.326 4.901 166 HG SER 25 HG SER 25 -7.109 -0.714 6.819 167 H PHE 26 H PHE 26 -5.417 0.345 6.523 168 HA PHE 26 HA PHE 26 -4.153 -2.207 6.438 169 HB2 PHE 26 1HB PHE 26 -1.821 -1.328 6.153 170 HB3 PHE 26 2HB PHE 26 -2.806 -1.250 4.696 171 HD1 PHE 26 2HD PHE 26 -1.322 0.722 7.424 172 HD2 PHE 26 1HD PHE 26 -3.363 0.829 3.690 173 HE1 PHE 26 2HE PHE 26 -0.832 3.125 7.229 174 HE2 PHE 26 1HE PHE 26 -2.875 3.232 3.489 175 HZ PHE 26 HZ PHE 26 -1.610 4.384 5.260 176 H ARG 27 H ARG 27 -2.447 -2.391 8.165 177 HA ARG 27 HA ARG 27 -2.980 -0.495 10.357 178 HB2 ARG 27 1HB ARG 27 -2.790 -3.504 10.452 179 HB3 ARG 27 2HB ARG 27 -2.661 -2.497 11.888 180 HG2 ARG 27 1HG ARG 27 -5.025 -2.356 10.045 181 HG3 ARG 27 2HG ARG 27 -4.930 -3.507 11.379 182 HD2 ARG 27 1HD ARG 27 -4.397 -0.620 11.904 183 HD3 ARG 27 2HD ARG 27 -6.063 -1.162 11.701 184 HE ARG 27 HE ARG 27 -4.700 -2.818 13.548 185 HH11 ARG 27 2HH1 ARG 27 -6.120 0.345 13.227 186 HH12 ARG 27 1HH1 ARG 27 -6.477 0.499 14.915 187 HH21 ARG 27 2HH2 ARG 27 -5.166 -2.627 15.773 188 HH22 ARG 27 1HH2 ARG 27 -5.933 -1.191 16.362 189 H ALA 28 H ALA 28 -1.276 -0.652 12.112 190 HA ALA 28 HA ALA 28 1.230 -0.007 11.076 191 HB1 ALA 28 1HB ALA 28 1.556 -0.930 13.747 192 HB2 ALA 28 2HB ALA 28 1.494 0.729 13.151 193 HB3 ALA 28 3HB ALA 28 0.008 -0.092 13.628 194 H GLY 29 H GLY 29 2.565 -1.321 10.018 195 HA2 GLY 29 1HA GLY 29 4.198 -3.051 10.063 196 HA3 GLY 29 2HA GLY 29 3.207 -3.918 11.226 197 H ASP 30 H ASP 30 2.033 -2.497 8.230 198 HA ASP 30 HA ASP 30 1.306 -5.198 7.330 199 HB2 ASP 30 1HB ASP 30 0.111 -2.484 6.866 200 HB3 ASP 30 2HB ASP 30 -0.207 -3.796 5.734 201 H LYS 31 H LYS 31 2.205 -6.048 5.566 202 HA LYS 31 HA LYS 31 4.281 -4.616 4.195 203 HB2 LYS 31 1HB LYS 31 3.105 -7.367 3.773 204 HB3 LYS 31 2HB LYS 31 4.469 -6.735 2.861 205 HG2 LYS 31 1HG LYS 31 4.515 -6.873 5.855 206 HG3 LYS 31 2HG LYS 31 4.959 -8.256 4.851 207 HD2 LYS 31 1HD LYS 31 6.639 -6.821 3.715 208 HD3 LYS 31 2HD LYS 31 6.246 -5.526 4.848 209 HE2 LYS 31 1HE LYS 31 6.801 -7.210 6.687 210 HE3 LYS 31 2HE LYS 31 7.524 -8.187 5.411 211 HZ1 LYS 31 1HZ LYS 31 8.460 -5.552 5.174 212 HZ2 LYS 31 2HZ LYS 31 9.340 -6.953 5.528 213 HZ3 LYS 31 3HZ LYS 31 8.661 -6.042 6.782 214 H LEU 32 H LEU 32 3.945 -3.265 2.568 215 HA LEU 32 HA LEU 32 1.881 -3.911 0.587 216 HB2 LEU 32 1HB LEU 32 2.316 -1.167 1.755 217 HB3 LEU 32 2HB LEU 32 1.165 -1.591 0.490 218 HG LEU 32 HG LEU 32 0.955 -2.893 3.172 219 HD11 LEU 32 1HD1 LEU 32 0.956 -0.122 2.888 220 HD12 LEU 32 2HD1 LEU 32 0.337 -1.055 4.250 221 HD13 LEU 32 3HD1 LEU 32 -0.746 -0.580 2.942 222 HD21 LEU 32 1HD2 LEU 32 -0.400 -3.591 1.175 223 HD22 LEU 32 2HD2 LEU 32 -1.164 -2.003 1.226 224 HD23 LEU 32 3HD2 LEU 32 -1.339 -3.110 2.588 225 H GLN 33 H GLN 33 2.536 -3.676 -1.465 226 HA GLN 33 HA GLN 33 5.199 -2.532 -1.912 227 HB2 GLN 33 1HB GLN 33 4.894 -4.848 -2.633 228 HB3 GLN 33 2HB GLN 33 3.538 -4.370 -3.645 229 HG2 GLN 33 1HG GLN 33 5.305 -2.783 -4.739 230 HG3 GLN 33 2HG GLN 33 6.452 -3.929 -4.047 231 HE21 GLN 33 1HE2 GLN 33 6.178 -3.506 -6.783 232 HE22 GLN 33 2HE2 GLN 33 5.557 -4.946 -7.508 233 H VAL 34 H VAL 34 5.357 -0.585 -2.785 234 HA VAL 34 HA VAL 34 3.088 0.826 -3.776 235 HB VAL 34 HB VAL 34 6.029 1.494 -3.769 236 HG11 VAL 34 1HG1 VAL 34 3.698 3.092 -4.799 237 HG12 VAL 34 2HG1 VAL 34 5.234 3.825 -4.335 238 HG13 VAL 34 3HG1 VAL 34 5.177 2.650 -5.650 239 HG21 VAL 34 1HG2 VAL 34 3.702 2.079 -2.017 240 HG22 VAL 34 2HG2 VAL 34 5.379 1.733 -1.593 241 HG23 VAL 34 3HG2 VAL 34 4.935 3.327 -2.203 242 H LEU 35 H LEU 35 2.276 0.838 -5.761 243 HA LEU 35 HA LEU 35 3.853 -0.335 -7.937 244 HB2 LEU 35 1HB LEU 35 0.920 0.323 -7.981 245 HB3 LEU 35 2HB LEU 35 1.808 -0.746 -9.064 246 HG LEU 35 HG LEU 35 1.587 -1.396 -6.150 247 HD11 LEU 35 1HD1 LEU 35 -0.687 -0.890 -7.316 248 HD12 LEU 35 2HD1 LEU 35 -0.497 -2.351 -6.347 249 HD13 LEU 35 3HD1 LEU 35 -0.409 -2.443 -8.105 250 HD21 LEU 35 1HD2 LEU 35 1.394 -3.675 -7.698 251 HD22 LEU 35 2HD2 LEU 35 2.844 -3.080 -6.889 252 HD23 LEU 35 3HD2 LEU 35 2.543 -2.667 -8.578 253 H ASP 36 H ASP 36 1.581 2.368 -7.430 254 HA ASP 36 HA ASP 36 2.938 3.807 -9.608 255 HB2 ASP 36 1HB ASP 36 0.351 3.302 -9.552 256 HB3 ASP 36 2HB ASP 36 0.314 4.701 -8.483 257 H THR 37 H THR 37 3.840 5.778 -9.269 258 HA THR 37 HA THR 37 3.564 6.981 -6.600 259 HB THR 37 HB THR 37 6.006 7.556 -6.677 260 HG1 THR 37 1HG THR 37 6.113 7.020 -9.029 261 HG21 THR 37 1HG2 THR 37 6.017 5.868 -5.214 262 HG22 THR 37 2HG2 THR 37 6.486 4.816 -6.549 263 HG23 THR 37 3HG2 THR 37 4.785 4.991 -6.119 264 H SER 38 H SER 38 2.336 7.677 -9.134 265 HA SER 38 HA SER 38 3.727 10.081 -10.002 266 HB2 SER 38 1HB SER 38 1.110 8.874 -10.933 267 HB3 SER 38 2HB SER 38 1.920 10.253 -11.676 268 HG SER 38 HG SER 38 2.269 7.811 -12.345 269 H HIS 39 H HIS 39 3.005 10.251 -7.355 270 HA HIS 39 HA HIS 39 1.529 12.662 -7.310 271 HB2 HIS 39 1HB HIS 39 -0.232 10.712 -7.529 272 HB3 HIS 39 2HB HIS 39 0.072 10.526 -5.804 273 HD1 HIS 39 1HD HIS 39 -2.047 11.446 -4.845 274 HD2 HIS 39 2HD HIS 39 -0.339 13.990 -7.652 275 HE1 HIS 39 1HE HIS 39 -3.390 13.570 -4.734 276 HE2 HIS 39 2HE HIS 39 -2.392 15.062 -6.500 277 H GLU 40 H GLU 40 2.748 13.707 -5.885 278 HA GLU 40 HA GLU 40 4.219 12.428 -3.825 279 HB2 GLU 40 1HB GLU 40 4.365 14.952 -3.031 280 HB3 GLU 40 2HB GLU 40 5.255 14.375 -4.433 281 HG2 GLU 40 1HG GLU 40 3.773 15.373 -5.934 282 HG3 GLU 40 2HG GLU 40 2.527 15.578 -4.705 283 H GLY 41 H GLY 41 2.392 11.247 -2.850 284 HA2 GLY 41 1HA GLY 41 1.703 12.079 -0.356 285 HA3 GLY 41 2HA GLY 41 0.428 12.746 -1.364 286 H TRP 42 H TRP 42 -0.356 10.972 -3.052 287 HA TRP 42 HA TRP 42 -1.007 8.599 -1.436 288 HB2 TRP 42 1HB TRP 42 -2.557 9.889 -3.692 289 HB3 TRP 42 2HB TRP 42 -3.037 8.418 -2.852 290 HD1 TRP 42 HD TRP 42 -2.895 12.202 -2.422 291 HE1 TRP 42 1HE TRP 42 -4.270 12.855 -0.347 292 HE3 TRP 42 3HE TRP 42 -3.817 7.532 -0.558 293 HZ2 TRP 42 2HZ TRP 42 -5.573 11.561 1.798 294 HZ3 TRP 42 3HZ TRP 42 -5.135 7.327 1.510 295 HH2 TRP 42 HH TRP 42 -5.993 9.301 2.662 296 H TRP 43 H TRP 43 -0.342 6.666 -2.109 297 HA TRP 43 HA TRP 43 0.561 6.401 -4.903 298 HB2 TRP 43 1HB TRP 43 1.727 5.155 -2.406 299 HB3 TRP 43 2HB TRP 43 2.202 4.717 -4.045 300 HD1 TRP 43 HD TRP 43 2.044 7.960 -4.940 301 HE1 TRP 43 1HE TRP 43 4.107 9.387 -4.362 302 HE3 TRP 43 3HE TRP 43 4.104 4.984 -1.330 303 HZ2 TRP 43 2HZ TRP 43 6.315 9.267 -2.608 304 HZ3 TRP 43 3HZ TRP 43 6.193 5.712 -0.252 305 HH2 TRP 43 HH TRP 43 7.274 7.809 -0.880 306 H LEU 44 H LEU 44 0.287 4.341 -5.895 307 HA LEU 44 HA LEU 44 -2.030 2.898 -4.843 308 HB2 LEU 44 1HB LEU 44 -2.224 3.682 -7.112 309 HB3 LEU 44 2HB LEU 44 -0.711 2.893 -7.553 310 HG LEU 44 HG LEU 44 -1.887 0.699 -6.988 311 HD11 LEU 44 1HD1 LEU 44 -3.760 1.775 -5.763 312 HD12 LEU 44 2HD1 LEU 44 -4.282 0.676 -7.039 313 HD13 LEU 44 3HD1 LEU 44 -4.341 2.419 -7.300 314 HD21 LEU 44 1HD2 LEU 44 -1.481 1.893 -9.298 315 HD22 LEU 44 2HD2 LEU 44 -3.240 2.020 -9.288 316 HD23 LEU 44 3HD2 LEU 44 -2.469 0.437 -9.186 317 H ALA 45 H ALA 45 -1.356 1.401 -3.407 318 HA ALA 45 HA ALA 45 0.747 -0.470 -4.284 319 HB1 ALA 45 1HB ALA 45 1.097 1.007 -2.187 320 HB2 ALA 45 2HB ALA 45 -0.014 -0.122 -1.411 321 HB3 ALA 45 3HB ALA 45 1.498 -0.708 -2.106 322 H ARG 46 H ARG 46 0.511 -2.696 -3.387 323 HA ARG 46 HA ARG 46 -2.327 -3.464 -3.181 324 HB2 ARG 46 1HB ARG 46 -1.985 -5.335 -4.570 325 HB3 ARG 46 2HB ARG 46 -1.163 -4.011 -5.385 326 HG2 ARG 46 1HG ARG 46 0.977 -4.793 -4.515 327 HG3 ARG 46 2HG ARG 46 0.156 -6.112 -3.678 328 HD2 ARG 46 1HD ARG 46 -0.755 -6.711 -6.025 329 HD3 ARG 46 2HD ARG 46 0.560 -5.696 -6.616 330 HE ARG 46 HE ARG 46 1.837 -7.357 -4.938 331 HH11 ARG 46 2HH1 ARG 46 -0.449 -7.930 -7.500 332 HH12 ARG 46 1HH1 ARG 46 0.195 -9.487 -7.904 333 HH21 ARG 46 2HH2 ARG 46 2.694 -9.405 -5.460 334 HH22 ARG 46 1HH2 ARG 46 1.983 -10.325 -6.742 335 H HIS 47 H HIS 47 -2.821 -5.244 -1.859 336 HA HIS 47 HA HIS 47 -1.221 -5.488 0.466 337 HB2 HIS 47 1HB HIS 47 -3.752 -6.698 -0.524 338 HB3 HIS 47 2HB HIS 47 -2.904 -7.544 0.767 339 HD1 HIS 47 1HD HIS 47 -2.256 -5.809 2.865 340 HD2 HIS 47 2HD HIS 47 -5.469 -4.843 0.414 341 HE1 HIS 47 1HE HIS 47 -3.639 -4.173 4.182 342 HE2 HIS 47 2HE HIS 47 -5.622 -3.668 2.713 343 H LEU 48 H LEU 48 0.417 -6.809 0.907 344 HA LEU 48 HA LEU 48 1.103 -8.880 -1.037 345 HB2 LEU 48 1HB LEU 48 2.689 -7.762 1.269 346 HB3 LEU 48 2HB LEU 48 3.280 -8.923 0.083 347 HG LEU 48 HG LEU 48 2.429 -6.098 -0.549 348 HD11 LEU 48 1HD1 LEU 48 4.549 -5.384 -0.279 349 HD12 LEU 48 2HD1 LEU 48 5.248 -6.920 -0.790 350 HD13 LEU 48 3HD1 LEU 48 4.635 -6.734 0.853 351 HD21 LEU 48 1HD2 LEU 48 3.374 -6.495 -2.717 352 HD22 LEU 48 2HD2 LEU 48 2.196 -7.764 -2.381 353 HD23 LEU 48 3HD2 LEU 48 3.922 -8.101 -2.236 354 H GLU 49 H GLU 49 0.420 -8.461 2.400 355 HA GLU 49 HA GLU 49 0.993 -11.052 3.270 356 HB2 GLU 49 1HB GLU 49 -0.919 -8.950 4.257 357 HB3 GLU 49 2HB GLU 49 -0.791 -10.514 5.049 358 HG2 GLU 49 1HG GLU 49 1.729 -10.000 5.170 359 HG3 GLU 49 2HG GLU 49 1.246 -8.337 4.843 360 H LYS 50 H LYS 50 -0.234 -12.907 3.504 361 HA LYS 50 HA LYS 50 -2.512 -13.103 1.674 362 HB2 LYS 50 1HB LYS 50 -0.693 -14.697 1.329 363 HB3 LYS 50 2HB LYS 50 -0.842 -15.254 2.990 364 HG2 LYS 50 1HG LYS 50 -3.315 -15.756 2.253 365 HG3 LYS 50 2HG LYS 50 -2.589 -15.783 0.644 366 HD2 LYS 50 1HD LYS 50 -1.490 -17.369 2.954 367 HD3 LYS 50 2HD LYS 50 -2.721 -18.005 1.860 368 HE2 LYS 50 1HE LYS 50 -0.852 -18.771 0.803 369 HE3 LYS 50 2HE LYS 50 -0.991 -17.193 0.030 370 HZ1 LYS 50 1HZ LYS 50 1.275 -17.730 0.821 371 HZ2 LYS 50 2HZ LYS 50 0.697 -17.731 2.411 372 HZ3 LYS 50 3HZ LYS 50 0.652 -16.309 1.495 373 H LYS 51 H LYS 51 -3.974 -12.041 3.144 374 HA LYS 51 HA LYS 51 -5.330 -13.922 4.847 375 HB2 LYS 51 1HB LYS 51 -3.422 -12.688 6.185 376 HB3 LYS 51 2HB LYS 51 -4.587 -11.371 6.218 377 HG2 LYS 51 1HG LYS 51 -4.946 -12.527 8.210 378 HG3 LYS 51 2HG LYS 51 -6.238 -13.080 7.142 379 HD2 LYS 51 1HD LYS 51 -5.481 -15.066 8.053 380 HD3 LYS 51 2HD LYS 51 -4.568 -14.984 6.545 381 HE2 LYS 51 1HE LYS 51 -2.920 -15.526 8.065 382 HE3 LYS 51 2HE LYS 51 -2.790 -13.769 8.008 383 HZ1 LYS 51 1HZ LYS 51 -3.117 -15.282 10.251 384 HZ2 LYS 51 2HZ LYS 51 -4.665 -14.661 9.974 385 HZ3 LYS 51 3HZ LYS 51 -3.350 -13.610 10.140 386 H GLY 52 H GLY 52 -7.327 -13.680 4.078 387 HA2 GLY 52 1HA GLY 52 -9.171 -11.889 4.555 388 HA3 GLY 52 2HA GLY 52 -8.264 -11.000 3.341 389 H THR 53 H THR 53 -10.909 -12.859 3.777 390 HA THR 53 HA THR 53 -10.753 -14.292 1.243 391 HB THR 53 HB THR 53 -13.252 -14.243 2.874 392 HG1 THR 53 1HG THR 53 -11.203 -16.038 3.585 393 HG21 THR 53 1HG2 THR 53 -11.798 -16.177 1.106 394 HG22 THR 53 2HG2 THR 53 -13.463 -15.605 1.002 395 HG23 THR 53 3HG2 THR 53 -13.002 -16.755 2.257 396 H GLY 54 H GLY 54 -10.677 -11.503 0.978 397 HA2 GLY 54 1HA GLY 54 -11.695 -9.755 -0.114 398 HA3 GLY 54 2HA GLY 54 -12.506 -11.018 -1.028 399 H LEU 55 H LEU 55 -12.716 -9.660 2.266 400 HA LEU 55 HA LEU 55 -15.357 -10.224 2.773 401 HB2 LEU 55 1HB LEU 55 -13.643 -9.204 4.322 402 HB3 LEU 55 2HB LEU 55 -14.027 -7.650 3.585 403 HG LEU 55 HG LEU 55 -16.222 -9.275 4.793 404 HD11 LEU 55 1HD1 LEU 55 -15.650 -7.751 6.874 405 HD12 LEU 55 2HD1 LEU 55 -14.012 -7.924 6.245 406 HD13 LEU 55 3HD1 LEU 55 -14.945 -9.356 6.678 407 HD21 LEU 55 1HD2 LEU 55 -17.312 -7.226 4.994 408 HD22 LEU 55 2HD2 LEU 55 -16.471 -7.098 3.450 409 HD23 LEU 55 3HD2 LEU 55 -15.811 -6.307 4.882 410 H GLY 56 H GLY 56 -14.165 -7.078 1.566 411 HA2 GLY 56 1HA GLY 56 -16.125 -6.831 -0.444 412 HA3 GLY 56 2HA GLY 56 -16.685 -6.000 0.999 413 H GLN 57 H GLN 57 -13.355 -6.271 -0.150 414 HA GLN 57 HA GLN 57 -13.362 -3.522 -1.080 415 HB2 GLN 57 1HB GLN 57 -11.658 -4.417 1.250 416 HB3 GLN 57 2HB GLN 57 -11.461 -2.894 0.392 417 HG2 GLN 57 1HG GLN 57 -13.636 -2.155 1.101 418 HG3 GLN 57 2HG GLN 57 -13.962 -3.720 1.846 419 HE21 GLN 57 1HE2 GLN 57 -13.375 -0.704 2.631 420 HE22 GLN 57 2HE2 GLN 57 -12.439 -0.897 4.070 421 H GLN 58 H GLN 58 -11.592 -3.001 -2.394 422 HA GLN 58 HA GLN 58 -10.506 -5.120 -3.880 423 HB2 GLN 58 1HB GLN 58 -9.264 -3.461 -5.076 424 HB3 GLN 58 2HB GLN 58 -10.834 -2.770 -4.687 425 HG2 GLN 58 1HG GLN 58 -9.605 -1.800 -2.619 426 HG3 GLN 58 2HG GLN 58 -8.150 -2.117 -3.562 427 HE21 GLN 58 1HE2 GLN 58 -8.811 0.429 -2.811 428 HE22 GLN 58 2HE2 GLN 58 -9.269 1.346 -4.201 429 H LEU 59 H LEU 59 -7.996 -5.116 -4.306 430 HA LEU 59 HA LEU 59 -6.759 -5.672 -1.709 431 HB2 LEU 59 1HB LEU 59 -5.137 -6.987 -2.968 432 HB3 LEU 59 2HB LEU 59 -6.790 -7.504 -3.297 433 HG LEU 59 HG LEU 59 -6.488 -5.874 -5.370 434 HD11 LEU 59 1HD1 LEU 59 -3.776 -6.928 -5.542 435 HD12 LEU 59 2HD1 LEU 59 -3.975 -5.702 -4.290 436 HD13 LEU 59 3HD1 LEU 59 -4.405 -5.334 -5.961 437 HD21 LEU 59 1HD2 LEU 59 -7.002 -7.918 -6.126 438 HD22 LEU 59 2HD2 LEU 59 -6.019 -8.725 -4.904 439 HD23 LEU 59 3HD2 LEU 59 -5.265 -8.099 -6.372 440 H GLN 60 H GLN 60 -6.351 -3.774 -4.631 441 HA GLN 60 HA GLN 60 -4.107 -2.375 -3.332 442 HB2 GLN 60 1HB GLN 60 -3.117 -1.976 -5.495 443 HB3 GLN 60 2HB GLN 60 -3.400 -3.702 -5.310 444 HG2 GLN 60 1HG GLN 60 -5.422 -3.514 -6.673 445 HG3 GLN 60 2HG GLN 60 -5.123 -1.787 -6.868 446 HE21 GLN 60 1HE2 GLN 60 -3.924 -1.148 -8.525 447 HE22 GLN 60 2HE2 GLN 60 -2.968 -2.178 -9.530 448 H GLY 61 H GLY 61 -4.206 -0.191 -3.213 449 HA2 GLY 61 1HA GLY 61 -5.998 1.338 -4.879 450 HA3 GLY 61 2HA GLY 61 -6.530 1.208 -3.209 451 H TYR 62 H TYR 62 -6.304 3.592 -3.355 452 HA TYR 62 HA TYR 62 -3.624 4.662 -3.433 453 HB2 TYR 62 1HB TYR 62 -6.321 5.909 -2.900 454 HB3 TYR 62 2HB TYR 62 -4.815 6.819 -2.837 455 HD1 TYR 62 2HD TYR 62 -3.277 6.099 -5.070 456 HD2 TYR 62 1HD TYR 62 -7.517 6.344 -4.815 457 HE1 TYR 62 2HE TYR 62 -3.396 6.471 -7.498 458 HE2 TYR 62 1HE TYR 62 -7.648 6.716 -7.242 459 HH TYR 62 HH TYR 62 -5.831 7.739 -9.048 460 H ILE 63 H ILE 63 -2.304 4.905 -1.759 461 HA ILE 63 HA ILE 63 -3.436 5.029 0.949 462 HB ILE 63 HB ILE 63 -1.688 3.564 1.813 463 HG12 ILE 63 1HG1 ILE 63 -0.952 2.851 -1.017 464 HG13 ILE 63 2HG1 ILE 63 -0.118 4.139 -0.155 465 HG21 ILE 63 1HG2 ILE 63 -2.431 1.458 0.368 466 HG22 ILE 63 2HG2 ILE 63 -3.522 2.259 1.498 467 HG23 ILE 63 3HG2 ILE 63 -3.620 2.618 -0.226 468 HD11 ILE 63 1HD1 ILE 63 -0.340 1.568 1.261 469 HD12 ILE 63 2HD1 ILE 63 0.695 1.593 -0.167 470 HD13 ILE 63 3HD1 ILE 63 1.003 2.706 1.166 471 HA PRO 64 HA PRO 64 -0.715 8.454 1.439 472 HB2 PRO 64 1HB PRO 64 -0.551 8.494 4.149 473 HB3 PRO 64 2HB PRO 64 -1.991 9.014 3.266 474 HG2 PRO 64 1HG PRO 64 -1.439 6.400 4.616 475 HG3 PRO 64 2HG PRO 64 -2.921 7.374 4.627 476 HD2 PRO 64 1HD PRO 64 -2.619 5.199 3.043 477 HD3 PRO 64 2HD PRO 64 -3.593 6.603 2.562 478 H SER 65 H SER 65 1.433 8.697 1.344 479 HA SER 65 HA SER 65 3.166 6.481 1.821 480 HB2 SER 65 1HB SER 65 3.765 7.906 0.018 481 HB3 SER 65 2HB SER 65 3.652 9.351 1.024 482 HG SER 65 HG SER 65 5.620 9.024 1.692 483 H ASN 66 H ASN 66 2.801 9.673 3.351 484 HA ASN 66 HA ASN 66 4.764 9.588 5.243 485 HB2 ASN 66 1HB ASN 66 1.977 10.709 5.330 486 HB3 ASN 66 2HB ASN 66 3.042 10.846 6.726 487 HD21 ASN 66 1HD2 ASN 66 2.199 12.097 3.695 488 HD22 ASN 66 2HD2 ASN 66 3.446 13.287 3.570 489 H TYR 67 H TYR 67 1.792 7.764 5.185 490 HA TYR 67 HA TYR 67 1.881 6.904 7.900 491 HB2 TYR 67 1HB TYR 67 0.349 6.084 5.463 492 HB3 TYR 67 2HB TYR 67 0.331 5.042 6.880 493 HD1 TYR 67 1HD TYR 67 -0.003 8.703 6.169 494 HD2 TYR 67 2HD TYR 67 -1.483 5.310 8.266 495 HE1 TYR 67 1HE TYR 67 -1.771 10.095 7.162 496 HE2 TYR 67 2HE TYR 67 -3.255 6.692 9.264 497 HH TYR 67 HH TYR 67 -3.377 9.466 9.737 498 H VAL 68 H VAL 68 3.171 5.686 4.877 499 HA VAL 68 HA VAL 68 4.319 3.382 6.305 500 HB VAL 68 HB VAL 68 4.544 2.253 4.223 501 HG11 VAL 68 1HG1 VAL 68 2.232 2.494 5.292 502 HG12 VAL 68 2HG1 VAL 68 1.874 3.600 3.964 503 HG13 VAL 68 3HG1 VAL 68 2.306 1.923 3.625 504 HG21 VAL 68 1HG2 VAL 68 3.931 3.308 2.075 505 HG22 VAL 68 2HG2 VAL 68 3.727 4.846 2.914 506 HG23 VAL 68 3HG2 VAL 68 5.316 4.084 2.844 507 H ALA 69 H ALA 69 6.460 2.670 5.066 508 HA ALA 69 HA ALA 69 8.133 4.830 4.187 509 HB1 ALA 69 1HB ALA 69 8.470 3.705 6.952 510 HB2 ALA 69 2HB ALA 69 9.801 4.463 6.076 511 HB3 ALA 69 3HB ALA 69 8.352 5.394 6.456 512 H GLU 70 H GLU 70 10.539 3.970 4.166 513 HA GLU 70 HA GLU 70 10.467 1.546 2.630 514 HB2 GLU 70 1HB GLU 70 12.500 3.619 3.274 515 HB3 GLU 70 2HB GLU 70 13.089 2.033 2.796 516 HG2 GLU 70 1HG GLU 70 11.757 2.187 0.733 517 HG3 GLU 70 2HG GLU 70 11.251 3.808 1.206 518 H ASP 71 H ASP 71 10.261 -0.327 3.681 519 HA ASP 71 HA ASP 71 11.612 -0.725 6.238 520 HB2 ASP 71 1HB ASP 71 9.148 -1.431 5.561 521 HB3 ASP 71 2HB ASP 71 9.973 -2.860 4.945 522 H SER 72 H SER 72 12.657 -2.901 6.583 523 HA SER 72 HA SER 72 14.803 -3.200 4.771 524 HB2 SER 72 1HB SER 72 14.902 -3.726 7.217 525 HB3 SER 72 2HB SER 72 13.925 -5.160 6.904 526 HG SER 72 HG SER 72 16.446 -4.608 5.719 527 H GLY 73 H GLY 73 12.071 -5.366 5.525 528 HA2 GLY 73 1HA GLY 73 10.854 -6.625 3.956 529 HA3 GLY 73 2HA GLY 73 12.106 -6.310 2.764 530 HA PRO 74 HA PRO 74 12.462 -10.667 4.513 531 HB2 PRO 74 1HB PRO 74 12.023 -11.975 2.175 532 HB3 PRO 74 2HB PRO 74 10.721 -11.524 3.283 533 HG2 PRO 74 1HG PRO 74 11.641 -10.155 0.784 534 HG3 PRO 74 2HG PRO 74 9.988 -10.469 1.345 535 HD2 PRO 74 1HD PRO 74 11.188 -8.057 1.621 536 HD3 PRO 74 2HD PRO 74 10.004 -8.675 2.792 537 H SER 75 H SER 75 13.742 -8.877 1.829 538 HA SER 75 HA SER 75 15.816 -10.662 1.095 539 HB2 SER 75 1HB SER 75 15.861 -7.656 0.785 540 HB3 SER 75 2HB SER 75 16.709 -8.852 -0.195 541 HG SER 75 HG SER 75 13.953 -8.253 -0.123 542 H SER 76 H SER 76 16.733 -11.344 3.077 543 HA SER 76 HA SER 76 17.763 -9.712 5.076 544 HB2 SER 76 1HB SER 76 17.510 -12.220 5.159 545 HB3 SER 76 2HB SER 76 18.977 -12.337 4.188 546 HG SER 76 HG SER 76 19.062 -10.770 6.496 547 H GLY 77 H GLY 77 19.136 -8.079 4.807 548 HA2 GLY 77 1HA GLY 77 21.795 -8.453 3.982 549 HA3 GLY 77 2HA GLY 77 20.893 -7.769 2.637 Start of MODEL 8 1 H1 GLY 1 H GLY 1 10.881 -20.431 -17.473 2 HA2 GLY 1 1HA GLY 1 12.537 -22.066 -15.913 3 HA3 GLY 1 2HA GLY 1 12.906 -20.416 -16.395 4 H SER 2 H SER 2 13.771 -19.667 -14.520 5 HA SER 2 HA SER 2 12.205 -19.951 -12.058 6 HB2 SER 2 1HB SER 2 14.682 -20.534 -12.130 7 HB3 SER 2 2HB SER 2 14.990 -18.806 -12.306 8 HG SER 2 HG SER 2 15.059 -19.528 -10.113 9 H SER 3 H SER 3 11.879 -18.097 -10.683 10 HA SER 3 HA SER 3 11.618 -15.606 -12.232 11 HB2 SER 3 1HB SER 3 10.033 -16.423 -9.787 12 HB3 SER 3 2HB SER 3 9.737 -15.028 -10.824 13 HG SER 3 HG SER 3 9.417 -17.771 -11.441 14 H GLY 4 H GLY 4 11.605 -13.600 -10.792 15 HA2 GLY 4 1HA GLY 4 13.886 -13.822 -8.937 16 HA3 GLY 4 2HA GLY 4 13.466 -12.379 -9.848 17 H SER 5 H SER 5 13.900 -11.919 -7.306 18 HA SER 5 HA SER 5 11.208 -11.615 -6.152 19 HB2 SER 5 1HB SER 5 12.199 -11.884 -3.902 20 HB3 SER 5 2HB SER 5 12.406 -13.332 -4.886 21 HG SER 5 HG SER 5 14.367 -12.929 -3.972 22 H SER 6 H SER 6 11.176 -9.524 -7.132 23 HA SER 6 HA SER 6 12.665 -7.538 -5.565 24 HB2 SER 6 1HB SER 6 12.562 -7.796 -8.550 25 HB3 SER 6 2HB SER 6 12.702 -6.197 -7.820 26 HG SER 6 HG SER 6 14.737 -7.246 -8.309 27 H GLY 7 H GLY 7 11.688 -5.371 -5.645 28 HA2 GLY 7 1HA GLY 7 9.442 -4.432 -6.710 29 HA3 GLY 7 2HA GLY 7 8.783 -5.603 -5.577 30 H GLN 8 H GLN 8 8.375 -2.753 -5.570 31 HA GLN 8 HA GLN 8 9.986 -1.614 -3.488 32 HB2 GLN 8 1HB GLN 8 7.465 -0.726 -4.878 33 HB3 GLN 8 2HB GLN 8 8.174 0.188 -3.554 34 HG2 GLN 8 1HG GLN 8 10.236 0.447 -4.830 35 HG3 GLN 8 2HG GLN 8 9.533 -0.477 -6.156 36 HE21 GLN 8 1HE2 GLN 8 8.203 0.514 -7.574 37 HE22 GLN 8 2HE2 GLN 8 7.794 2.191 -7.515 38 H TYR 9 H TYR 9 9.851 -2.523 -1.526 39 HA TYR 9 HA TYR 9 7.188 -3.151 -0.451 40 HB2 TYR 9 1HB TYR 9 9.810 -4.030 0.742 41 HB3 TYR 9 2HB TYR 9 8.209 -4.711 1.005 42 HD1 TYR 9 2HD TYR 9 7.057 -5.628 -1.218 43 HD2 TYR 9 1HD TYR 9 11.249 -5.172 -0.652 44 HE1 TYR 9 2HE TYR 9 7.471 -7.291 -2.982 45 HE2 TYR 9 1HE TYR 9 11.674 -6.833 -2.415 46 HH TYR 9 HH TYR 9 8.996 -8.370 -4.175 47 H PHE 10 H PHE 10 6.378 -2.027 1.205 48 HA PHE 10 HA PHE 10 8.186 -0.252 2.706 49 HB2 PHE 10 1HB PHE 10 5.510 0.369 1.478 50 HB3 PHE 10 2HB PHE 10 6.128 1.301 2.837 51 HD1 PHE 10 1HD PHE 10 6.900 0.254 -0.632 52 HD2 PHE 10 2HD PHE 10 7.662 3.029 2.503 53 HE1 PHE 10 1HE PHE 10 8.193 1.652 -2.189 54 HE2 PHE 10 2HE PHE 10 8.956 4.433 0.951 55 HZ PHE 10 HZ PHE 10 9.223 3.745 -1.398 56 H VAL 11 H VAL 11 7.118 0.538 4.777 57 HA VAL 11 HA VAL 11 5.395 -1.542 5.943 58 HB VAL 11 HB VAL 11 7.884 -1.745 6.561 59 HG11 VAL 11 1HG1 VAL 11 8.828 -0.266 8.083 60 HG12 VAL 11 2HG1 VAL 11 7.970 0.804 6.972 61 HG13 VAL 11 3HG1 VAL 11 7.267 0.414 8.542 62 HG21 VAL 11 1HG2 VAL 11 5.493 -1.868 8.260 63 HG22 VAL 11 2HG2 VAL 11 6.719 -3.093 7.936 64 HG23 VAL 11 3HG2 VAL 11 7.024 -1.836 9.135 65 H ALA 12 H ALA 12 3.759 -0.805 7.169 66 HA ALA 12 HA ALA 12 3.203 1.992 7.222 67 HB1 ALA 12 1HB ALA 12 1.205 1.295 8.558 68 HB2 ALA 12 2HB ALA 12 1.368 0.485 6.999 69 HB3 ALA 12 3HB ALA 12 1.808 -0.361 8.482 70 H LEU 13 H LEU 13 3.829 3.440 8.675 71 HA LEU 13 HA LEU 13 5.151 2.567 11.105 72 HB2 LEU 13 1HB LEU 13 4.681 5.368 10.099 73 HB3 LEU 13 2HB LEU 13 5.794 4.877 11.374 74 HG LEU 13 HG LEU 13 6.157 3.798 8.612 75 HD11 LEU 13 1HD1 LEU 13 6.473 6.604 9.453 76 HD12 LEU 13 2HD1 LEU 13 6.234 5.916 7.847 77 HD13 LEU 13 3HD1 LEU 13 7.836 5.898 8.585 78 HD21 LEU 13 1HD2 LEU 13 7.571 2.829 10.231 79 HD22 LEU 13 2HD2 LEU 13 7.921 4.389 10.975 80 HD23 LEU 13 3HD2 LEU 13 8.564 4.010 9.377 81 H PHE 14 H PHE 14 2.137 3.987 10.120 82 HA PHE 14 HA PHE 14 1.179 3.790 12.872 83 HB2 PHE 14 1HB PHE 14 0.486 6.225 11.247 84 HB3 PHE 14 2HB PHE 14 0.309 5.972 12.981 85 HD1 PHE 14 2HD PHE 14 2.619 6.827 10.283 86 HD2 PHE 14 1HD PHE 14 2.188 6.231 14.476 87 HE1 PHE 14 2HE PHE 14 4.786 7.930 10.660 88 HE2 PHE 14 1HE PHE 14 4.354 7.334 14.859 89 HZ PHE 14 HZ PHE 14 5.656 8.184 12.949 90 H ASP 15 H ASP 15 -1.190 3.839 13.016 91 HA ASP 15 HA ASP 15 -2.355 2.282 10.902 92 HB2 ASP 15 1HB ASP 15 -4.445 2.563 12.429 93 HB3 ASP 15 2HB ASP 15 -3.090 1.593 13.000 94 H TYR 16 H TYR 16 -3.848 2.878 9.409 95 HA TYR 16 HA TYR 16 -4.833 5.644 9.465 96 HB2 TYR 16 1HB TYR 16 -3.130 5.905 7.903 97 HB3 TYR 16 2HB TYR 16 -3.317 4.272 7.273 98 HD1 TYR 16 1HD TYR 16 -5.059 3.760 5.639 99 HD2 TYR 16 2HD TYR 16 -4.512 7.719 7.099 100 HE1 TYR 16 1HE TYR 16 -6.433 4.626 3.791 101 HE2 TYR 16 2HE TYR 16 -5.885 8.595 5.256 102 HH TYR 16 HH TYR 16 -6.681 6.806 2.546 103 H GLN 17 H GLN 17 -6.878 5.954 8.665 104 HA GLN 17 HA GLN 17 -8.331 3.514 7.880 105 HB2 GLN 17 1HB GLN 17 -9.048 4.382 10.053 106 HB3 GLN 17 2HB GLN 17 -9.365 5.955 9.333 107 HG2 GLN 17 1HG GLN 17 -10.930 4.508 7.764 108 HG3 GLN 17 2HG GLN 17 -10.920 3.439 9.166 109 HE21 GLN 17 1HE2 GLN 17 -11.898 4.092 11.058 110 HE22 GLN 17 2HE2 GLN 17 -12.939 5.468 11.145 111 H ALA 18 H ALA 18 -9.195 3.480 5.915 112 HA ALA 18 HA ALA 18 -8.820 5.496 4.027 113 HB1 ALA 18 1HB ALA 18 -9.224 3.613 2.879 114 HB2 ALA 18 2HB ALA 18 -10.256 2.945 4.144 115 HB3 ALA 18 3HB ALA 18 -10.915 4.103 2.989 116 H ARG 19 H ARG 19 -9.782 7.391 3.753 117 HA ARG 19 HA ARG 19 -12.144 8.077 5.251 118 HB2 ARG 19 1HB ARG 19 -10.306 9.573 3.406 119 HB3 ARG 19 2HB ARG 19 -11.832 10.281 3.916 120 HG2 ARG 19 1HG ARG 19 -11.096 9.908 6.288 121 HG3 ARG 19 2HG ARG 19 -9.510 9.476 5.645 122 HD2 ARG 19 1HD ARG 19 -10.786 12.045 4.817 123 HD3 ARG 19 2HD ARG 19 -10.016 11.930 6.399 124 HE ARG 19 HE ARG 19 -8.284 10.954 4.389 125 HH11 ARG 19 2HH1 ARG 19 -9.601 13.912 5.667 126 HH12 ARG 19 1HH1 ARG 19 -8.249 14.878 5.179 127 HH21 ARG 19 2HH2 ARG 19 -6.498 12.216 3.741 128 HH22 ARG 19 1HH2 ARG 19 -6.485 13.913 4.082 129 H THR 20 H THR 20 -11.314 7.999 1.786 130 HA THR 20 HA THR 20 -14.188 7.942 1.167 131 HB THR 20 HB THR 20 -13.461 8.495 -1.174 132 HG1 THR 20 1HG THR 20 -11.382 8.773 -1.607 133 HG21 THR 20 1HG2 THR 20 -13.919 10.596 -0.593 134 HG22 THR 20 2HG2 THR 20 -12.319 10.776 0.129 135 HG23 THR 20 3HG2 THR 20 -13.659 10.160 1.096 136 H ALA 21 H ALA 21 -14.547 6.742 -1.056 137 HA ALA 21 HA ALA 21 -13.993 3.993 -0.561 138 HB1 ALA 21 1HB ALA 21 -15.589 3.567 -2.094 139 HB2 ALA 21 2HB ALA 21 -15.954 5.280 -1.884 140 HB3 ALA 21 3HB ALA 21 -14.958 4.750 -3.239 141 H GLU 22 H GLU 22 -12.397 6.468 -2.333 142 HA GLU 22 HA GLU 22 -10.843 4.535 -3.886 143 HB2 GLU 22 1HB GLU 22 -11.159 7.521 -4.008 144 HB3 GLU 22 2HB GLU 22 -9.825 6.719 -4.824 145 HG2 GLU 22 1HG GLU 22 -11.363 5.427 -6.159 146 HG3 GLU 22 2HG GLU 22 -12.735 6.108 -5.286 147 H ASP 23 H ASP 23 -10.203 4.058 -1.415 148 HA ASP 23 HA ASP 23 -7.460 4.874 -1.221 149 HB2 ASP 23 1HB ASP 23 -9.520 6.017 0.611 150 HB3 ASP 23 2HB ASP 23 -7.955 5.580 1.290 151 H LEU 24 H LEU 24 -6.258 3.364 -0.191 152 HA LEU 24 HA LEU 24 -7.681 1.026 0.827 153 HB2 LEU 24 1HB LEU 24 -5.878 0.857 -0.919 154 HB3 LEU 24 2HB LEU 24 -4.727 1.332 0.329 155 HG LEU 24 HG LEU 24 -5.524 -0.715 1.619 156 HD11 LEU 24 1HD1 LEU 24 -7.432 -0.829 -0.350 157 HD12 LEU 24 2HD1 LEU 24 -7.008 -2.137 0.753 158 HD13 LEU 24 3HD1 LEU 24 -6.277 -2.065 -0.850 159 HD21 LEU 24 1HD2 LEU 24 -3.381 -0.869 0.751 160 HD22 LEU 24 2HD2 LEU 24 -3.939 -0.778 -0.919 161 HD23 LEU 24 3HD2 LEU 24 -4.193 -2.252 0.016 162 H SER 25 H SER 25 -7.600 0.342 2.896 163 HA SER 25 HA SER 25 -6.307 2.119 4.826 164 HB2 SER 25 1HB SER 25 -7.763 1.132 6.485 165 HB3 SER 25 2HB SER 25 -8.734 1.552 5.074 166 HG SER 25 HG SER 25 -8.504 -0.806 6.233 167 H PHE 26 H PHE 26 -5.142 1.228 6.644 168 HA PHE 26 HA PHE 26 -4.242 -1.496 6.574 169 HB2 PHE 26 1HB PHE 26 -1.812 -0.863 6.321 170 HB3 PHE 26 2HB PHE 26 -2.776 -0.718 4.854 171 HD1 PHE 26 1HD PHE 26 -3.322 1.460 3.933 172 HD2 PHE 26 2HD PHE 26 -0.922 1.078 7.427 173 HE1 PHE 26 1HE PHE 26 -2.601 3.800 3.689 174 HE2 PHE 26 2HE PHE 26 -0.198 3.417 7.190 175 HZ PHE 26 HZ PHE 26 -1.038 4.782 5.319 176 H ARG 27 H ARG 27 -2.520 -1.865 8.284 177 HA ARG 27 HA ARG 27 -2.931 0.004 10.525 178 HB2 ARG 27 1HB ARG 27 -2.654 -3.005 10.652 179 HB3 ARG 27 2HB ARG 27 -2.813 -1.934 12.038 180 HG2 ARG 27 1HG ARG 27 -5.016 -1.194 10.855 181 HG3 ARG 27 2HG ARG 27 -4.855 -2.743 10.025 182 HD2 ARG 27 1HD ARG 27 -4.605 -2.609 13.000 183 HD3 ARG 27 2HD ARG 27 -6.201 -2.587 12.252 184 HE ARG 27 HE ARG 27 -4.616 -4.716 11.238 185 HH11 ARG 27 2HH1 ARG 27 -6.507 -3.731 13.991 186 HH12 ARG 27 1HH1 ARG 27 -6.897 -5.351 14.467 187 HH21 ARG 27 2HH2 ARG 27 -5.123 -6.853 11.855 188 HH22 ARG 27 1HH2 ARG 27 -6.109 -7.126 13.252 189 H ALA 28 H ALA 28 -1.210 -0.190 12.231 190 HA ALA 28 HA ALA 28 1.312 0.337 11.134 191 HB1 ALA 28 1HB ALA 28 2.100 0.540 13.357 192 HB2 ALA 28 2HB ALA 28 0.427 1.098 13.369 193 HB3 ALA 28 3HB ALA 28 0.825 -0.507 13.980 194 H GLY 29 H GLY 29 2.637 -1.059 10.181 195 HA2 GLY 29 1HA GLY 29 4.175 -2.857 10.270 196 HA3 GLY 29 2HA GLY 29 3.178 -3.615 11.503 197 H ASP 30 H ASP 30 1.972 -2.334 8.461 198 HA ASP 30 HA ASP 30 1.226 -5.077 7.698 199 HB2 ASP 30 1HB ASP 30 -0.068 -2.426 7.044 200 HB3 ASP 30 2HB ASP 30 -0.535 -3.950 6.295 201 H LYS 31 H LYS 31 2.335 -5.926 6.079 202 HA LYS 31 HA LYS 31 4.164 -4.461 4.502 203 HB2 LYS 31 1HB LYS 31 3.015 -7.216 4.014 204 HB3 LYS 31 2HB LYS 31 4.448 -6.550 3.241 205 HG2 LYS 31 1HG LYS 31 4.276 -6.781 6.220 206 HG3 LYS 31 2HG LYS 31 4.746 -8.158 5.221 207 HD2 LYS 31 1HD LYS 31 6.670 -7.070 4.432 208 HD3 LYS 31 2HD LYS 31 6.095 -5.487 4.962 209 HE2 LYS 31 1HE LYS 31 6.800 -7.753 6.822 210 HE3 LYS 31 2HE LYS 31 7.904 -6.451 6.383 211 HZ1 LYS 31 1HZ LYS 31 6.934 -5.079 7.817 212 HZ2 LYS 31 2HZ LYS 31 6.145 -6.429 8.462 213 HZ3 LYS 31 3HZ LYS 31 5.375 -5.477 7.295 214 H LEU 32 H LEU 32 3.879 -3.322 2.702 215 HA LEU 32 HA LEU 32 1.628 -3.936 0.939 216 HB2 LEU 32 1HB LEU 32 2.218 -1.201 2.059 217 HB3 LEU 32 2HB LEU 32 1.084 -1.529 0.750 218 HG LEU 32 HG LEU 32 0.716 -2.839 3.416 219 HD11 LEU 32 1HD1 LEU 32 -0.733 -0.943 4.061 220 HD12 LEU 32 2HD1 LEU 32 -0.123 -0.040 2.675 221 HD13 LEU 32 3HD1 LEU 32 0.974 -0.511 3.973 222 HD21 LEU 32 1HD2 LEU 32 -1.080 -3.628 2.382 223 HD22 LEU 32 2HD2 LEU 32 -0.688 -2.702 0.933 224 HD23 LEU 32 3HD2 LEU 32 -1.679 -1.979 2.200 225 H GLN 33 H GLN 33 2.263 -3.997 -1.112 226 HA GLN 33 HA GLN 33 4.890 -2.927 -1.802 227 HB2 GLN 33 1HB GLN 33 4.245 -5.296 -2.352 228 HB3 GLN 33 2HB GLN 33 3.075 -4.648 -3.493 229 HG2 GLN 33 1HG GLN 33 4.880 -3.577 -4.740 230 HG3 GLN 33 2HG GLN 33 6.053 -4.228 -3.597 231 HE21 GLN 33 1HE2 GLN 33 3.304 -5.456 -5.484 232 HE22 GLN 33 2HE2 GLN 33 4.127 -6.845 -6.096 233 H VAL 34 H VAL 34 5.063 -1.008 -2.732 234 HA VAL 34 HA VAL 34 2.783 0.413 -3.715 235 HB VAL 34 HB VAL 34 5.728 1.057 -3.716 236 HG11 VAL 34 1HG1 VAL 34 5.137 2.302 -5.539 237 HG12 VAL 34 2HG1 VAL 34 3.454 2.451 -5.031 238 HG13 VAL 34 3HG1 VAL 34 4.701 3.428 -4.254 239 HG21 VAL 34 1HG2 VAL 34 3.362 1.915 -2.083 240 HG22 VAL 34 2HG2 VAL 34 4.897 1.240 -1.538 241 HG23 VAL 34 3HG2 VAL 34 4.830 2.889 -2.161 242 H LEU 35 H LEU 35 2.017 0.533 -5.726 243 HA LEU 35 HA LEU 35 3.535 -0.788 -7.863 244 HB2 LEU 35 1HB LEU 35 0.627 -0.002 -7.849 245 HB3 LEU 35 2HB LEU 35 1.446 -1.025 -9.028 246 HG LEU 35 HG LEU 35 1.186 -1.803 -6.134 247 HD11 LEU 35 1HD1 LEU 35 -0.738 -2.254 -8.401 248 HD12 LEU 35 2HD1 LEU 35 -1.059 -1.528 -6.827 249 HD13 LEU 35 3HD1 LEU 35 -0.707 -3.252 -6.947 250 HD21 LEU 35 1HD2 LEU 35 2.017 -3.136 -8.673 251 HD22 LEU 35 2HD2 LEU 35 1.296 -4.095 -7.380 252 HD23 LEU 35 3HD2 LEU 35 2.773 -3.178 -7.079 253 H ASP 36 H ASP 36 1.444 2.060 -7.380 254 HA ASP 36 HA ASP 36 2.895 3.385 -9.573 255 HB2 ASP 36 1HB ASP 36 0.341 3.010 -9.702 256 HB3 ASP 36 2HB ASP 36 0.236 4.296 -8.503 257 H THR 37 H THR 37 3.979 5.231 -9.195 258 HA THR 37 HA THR 37 3.620 6.554 -6.592 259 HB THR 37 HB THR 37 6.075 6.917 -6.471 260 HG1 THR 37 1HG THR 37 6.840 6.611 -8.495 261 HG21 THR 37 1HG2 THR 37 4.676 4.398 -6.112 262 HG22 THR 37 2HG2 THR 37 5.849 5.194 -5.063 263 HG23 THR 37 3HG2 THR 37 6.403 4.163 -6.382 264 H SER 38 H SER 38 2.455 7.400 -8.978 265 HA SER 38 HA SER 38 4.118 9.502 -10.090 266 HB2 SER 38 1HB SER 38 1.257 8.689 -10.649 267 HB3 SER 38 2HB SER 38 2.109 9.977 -11.501 268 HG SER 38 HG SER 38 3.300 7.449 -11.359 269 H HIS 39 H HIS 39 0.745 9.630 -8.969 270 HA HIS 39 HA HIS 39 0.650 12.323 -8.411 271 HB2 HIS 39 1HB HIS 39 -1.318 10.824 -8.432 272 HB3 HIS 39 2HB HIS 39 -0.794 10.136 -6.898 273 HD1 HIS 39 1HD HIS 39 -3.478 11.840 -7.584 274 HD2 HIS 39 2HD HIS 39 -0.140 13.086 -5.448 275 HE1 HIS 39 1HE HIS 39 -4.279 13.723 -6.122 276 HE2 HIS 39 2HE HIS 39 -2.224 14.517 -4.902 277 H GLU 40 H GLU 40 2.331 13.246 -7.342 278 HA GLU 40 HA GLU 40 3.812 12.273 -5.250 279 HB2 GLU 40 1HB GLU 40 3.069 15.031 -6.118 280 HB3 GLU 40 2HB GLU 40 3.899 14.832 -4.582 281 HG2 GLU 40 1HG GLU 40 4.906 13.821 -7.231 282 HG3 GLU 40 2HG GLU 40 5.424 15.313 -6.449 283 H GLY 41 H GLY 41 3.120 11.427 -3.399 284 HA2 GLY 41 1HA GLY 41 2.330 12.141 -1.149 285 HA3 GLY 41 2HA GLY 41 0.934 12.818 -1.975 286 H TRP 42 H TRP 42 -0.228 11.116 -3.410 287 HA TRP 42 HA TRP 42 -0.734 8.810 -1.679 288 HB2 TRP 42 1HB TRP 42 -2.352 10.015 -3.933 289 HB3 TRP 42 2HB TRP 42 -2.820 8.570 -3.039 290 HD1 TRP 42 HD TRP 42 -2.565 12.365 -2.678 291 HE1 TRP 42 1HE TRP 42 -3.877 13.085 -0.584 292 HE3 TRP 42 3HE TRP 42 -3.601 7.748 -0.742 293 HZ2 TRP 42 2HZ TRP 42 -5.179 11.859 1.599 294 HZ3 TRP 42 3HZ TRP 42 -4.885 7.609 1.353 295 HH2 TRP 42 HH TRP 42 -5.656 9.623 2.498 296 H TRP 43 H TRP 43 -0.119 6.823 -2.222 297 HA TRP 43 HA TRP 43 0.720 6.344 -5.007 298 HB2 TRP 43 1HB TRP 43 1.753 5.109 -2.445 299 HB3 TRP 43 2HB TRP 43 2.230 4.596 -4.061 300 HD1 TRP 43 HD TRP 43 2.237 7.893 -4.941 301 HE1 TRP 43 1HE TRP 43 4.407 9.164 -4.395 302 HE3 TRP 43 3HE TRP 43 4.190 4.704 -1.455 303 HZ2 TRP 43 2HZ TRP 43 6.650 8.856 -2.710 304 HZ3 TRP 43 3HZ TRP 43 6.353 5.266 -0.424 305 HH2 TRP 43 HH TRP 43 7.556 7.299 -1.040 306 H LEU 44 H LEU 44 0.345 4.231 -5.884 307 HA LEU 44 HA LEU 44 -2.091 3.014 -4.804 308 HB2 LEU 44 1HB LEU 44 -2.217 3.736 -7.104 309 HB3 LEU 44 2HB LEU 44 -0.778 2.804 -7.509 310 HG LEU 44 HG LEU 44 -2.094 0.733 -6.925 311 HD11 LEU 44 1HD1 LEU 44 -4.681 1.553 -7.392 312 HD12 LEU 44 2HD1 LEU 44 -4.060 2.773 -6.281 313 HD13 LEU 44 3HD1 LEU 44 -4.007 1.068 -5.836 314 HD21 LEU 44 1HD2 LEU 44 -1.802 2.012 -9.259 315 HD22 LEU 44 2HD2 LEU 44 -3.561 2.049 -9.128 316 HD23 LEU 44 3HD2 LEU 44 -2.706 0.506 -9.092 317 H ALA 45 H ALA 45 -1.476 1.556 -3.289 318 HA ALA 45 HA ALA 45 0.450 -0.515 -4.121 319 HB1 ALA 45 1HB ALA 45 1.069 0.987 -2.160 320 HB2 ALA 45 2HB ALA 45 -0.198 0.147 -1.264 321 HB3 ALA 45 3HB ALA 45 1.177 -0.755 -1.902 322 H ARG 46 H ARG 46 0.075 -2.660 -3.054 323 HA ARG 46 HA ARG 46 -2.805 -3.191 -2.732 324 HB2 ARG 46 1HB ARG 46 -2.632 -5.192 -3.999 325 HB3 ARG 46 2HB ARG 46 -1.835 -3.941 -4.944 326 HG2 ARG 46 1HG ARG 46 0.343 -4.743 -4.127 327 HG3 ARG 46 2HG ARG 46 -0.485 -6.032 -3.250 328 HD2 ARG 46 1HD ARG 46 -1.035 -5.727 -6.156 329 HD3 ARG 46 2HD ARG 46 0.518 -6.408 -5.671 330 HE ARG 46 HE ARG 46 -1.967 -7.736 -5.651 331 HH11 ARG 46 2HH1 ARG 46 0.924 -7.368 -3.746 332 HH12 ARG 46 1HH1 ARG 46 0.798 -8.935 -3.016 333 HH21 ARG 46 2HH2 ARG 46 -2.143 -9.801 -4.696 334 HH22 ARG 46 1HH2 ARG 46 -0.946 -10.318 -3.558 335 H HIS 47 H HIS 47 -3.367 -4.948 -1.361 336 HA HIS 47 HA HIS 47 -1.731 -5.166 0.949 337 HB2 HIS 47 1HB HIS 47 -4.341 -6.298 0.064 338 HB3 HIS 47 2HB HIS 47 -3.511 -7.096 1.397 339 HD1 HIS 47 1HD HIS 47 -2.857 -5.385 3.442 340 HD2 HIS 47 2HD HIS 47 -5.850 -4.180 0.825 341 HE1 HIS 47 1HE HIS 47 -4.114 -3.572 4.648 342 HE2 HIS 47 2HE HIS 47 -5.973 -2.918 3.079 343 H LEU 48 H LEU 48 -0.242 -6.633 1.502 344 HA LEU 48 HA LEU 48 0.379 -8.742 -0.420 345 HB2 LEU 48 1HB LEU 48 1.920 -7.730 1.965 346 HB3 LEU 48 2HB LEU 48 2.484 -8.959 0.834 347 HG LEU 48 HG LEU 48 1.834 -6.140 0.000 348 HD11 LEU 48 1HD1 LEU 48 3.593 -5.615 1.326 349 HD12 LEU 48 2HD1 LEU 48 4.500 -6.184 -0.075 350 HD13 LEU 48 3HD1 LEU 48 4.245 -7.254 1.303 351 HD21 LEU 48 1HD2 LEU 48 3.828 -7.395 -1.566 352 HD22 LEU 48 2HD2 LEU 48 2.197 -6.923 -2.043 353 HD23 LEU 48 3HD2 LEU 48 2.494 -8.535 -1.390 354 H GLU 49 H GLU 49 -0.498 -8.296 2.962 355 HA GLU 49 HA GLU 49 -0.108 -10.856 3.934 356 HB2 GLU 49 1HB GLU 49 -1.998 -8.648 4.611 357 HB3 GLU 49 2HB GLU 49 -2.263 -10.226 5.338 358 HG2 GLU 49 1HG GLU 49 -0.315 -10.148 6.556 359 HG3 GLU 49 2HG GLU 49 0.446 -8.993 5.463 360 H LYS 50 H LYS 50 -1.093 -12.773 3.704 361 HA LYS 50 HA LYS 50 -3.627 -12.858 2.206 362 HB2 LYS 50 1HB LYS 50 -2.889 -14.793 0.999 363 HB3 LYS 50 2HB LYS 50 -1.656 -13.550 0.827 364 HG2 LYS 50 1HG LYS 50 -0.218 -14.639 2.365 365 HG3 LYS 50 2HG LYS 50 -1.491 -15.753 2.865 366 HD2 LYS 50 1HD LYS 50 -0.148 -17.012 1.416 367 HD3 LYS 50 2HD LYS 50 -1.524 -16.523 0.425 368 HE2 LYS 50 1HE LYS 50 -0.006 -14.500 -0.194 369 HE3 LYS 50 2HE LYS 50 1.299 -15.540 0.372 370 HZ1 LYS 50 1HZ LYS 50 0.126 -17.245 -1.208 371 HZ2 LYS 50 2HZ LYS 50 1.228 -16.114 -1.816 372 HZ3 LYS 50 3HZ LYS 50 -0.435 -15.841 -1.969 373 H LYS 51 H LYS 51 -5.181 -14.210 2.959 374 HA LYS 51 HA LYS 51 -4.657 -16.374 4.739 375 HB2 LYS 51 1HB LYS 51 -4.355 -14.541 6.330 376 HB3 LYS 51 2HB LYS 51 -5.929 -13.886 5.896 377 HG2 LYS 51 1HG LYS 51 -6.498 -14.997 7.790 378 HG3 LYS 51 2HG LYS 51 -6.732 -16.299 6.621 379 HD2 LYS 51 1HD LYS 51 -5.491 -17.281 8.349 380 HD3 LYS 51 2HD LYS 51 -4.295 -16.919 7.102 381 HE2 LYS 51 1HE LYS 51 -3.836 -14.768 8.329 382 HE3 LYS 51 2HE LYS 51 -4.844 -15.387 9.636 383 HZ1 LYS 51 1HZ LYS 51 -3.353 -17.223 9.926 384 HZ2 LYS 51 2HZ LYS 51 -2.456 -15.791 9.977 385 HZ3 LYS 51 3HZ LYS 51 -2.428 -16.757 8.589 386 H GLY 52 H GLY 52 -6.167 -17.837 4.299 387 HA2 GLY 52 1HA GLY 52 -8.139 -18.785 3.607 388 HA3 GLY 52 2HA GLY 52 -8.924 -17.414 4.376 389 H THR 53 H THR 53 -10.516 -17.452 2.719 390 HA THR 53 HA THR 53 -9.598 -16.150 0.246 391 HB THR 53 HB THR 53 -11.318 -17.397 -1.031 392 HG1 THR 53 1HG THR 53 -11.500 -19.133 1.209 393 HG21 THR 53 1HG2 THR 53 -9.231 -18.335 -1.359 394 HG22 THR 53 2HG2 THR 53 -10.136 -19.714 -0.736 395 HG23 THR 53 3HG2 THR 53 -9.062 -18.809 0.331 396 H GLY 54 H GLY 54 -11.398 -15.035 -0.920 397 HA2 GLY 54 1HA GLY 54 -13.891 -14.441 -0.223 398 HA3 GLY 54 2HA GLY 54 -13.007 -13.582 1.030 399 H LEU 55 H LEU 55 -14.700 -12.808 -1.420 400 HA LEU 55 HA LEU 55 -12.763 -10.897 -2.552 401 HB2 LEU 55 1HB LEU 55 -14.978 -12.451 -3.780 402 HB3 LEU 55 2HB LEU 55 -14.653 -10.835 -4.405 403 HG LEU 55 HG LEU 55 -12.218 -11.686 -4.654 404 HD11 LEU 55 1HD1 LEU 55 -13.544 -14.353 -4.907 405 HD12 LEU 55 2HD1 LEU 55 -12.895 -13.822 -3.356 406 HD13 LEU 55 3HD1 LEU 55 -11.830 -13.962 -4.755 407 HD21 LEU 55 1HD2 LEU 55 -12.942 -11.375 -6.737 408 HD22 LEU 55 2HD2 LEU 55 -14.572 -11.913 -6.333 409 HD23 LEU 55 3HD2 LEU 55 -13.332 -13.095 -6.756 410 H GLY 56 H GLY 56 -13.511 -8.763 -2.990 411 HA2 GLY 56 1HA GLY 56 -15.595 -7.321 -2.901 412 HA3 GLY 56 2HA GLY 56 -15.805 -8.001 -1.295 413 H GLN 57 H GLN 57 -13.756 -7.746 0.123 414 HA GLN 57 HA GLN 57 -13.379 -5.075 0.689 415 HB2 GLN 57 1HB GLN 57 -11.675 -5.734 2.201 416 HB3 GLN 57 2HB GLN 57 -12.824 -7.064 2.154 417 HG2 GLN 57 1HG GLN 57 -11.298 -8.145 0.453 418 HG3 GLN 57 2HG GLN 57 -10.113 -6.911 0.877 419 HE21 GLN 57 1HE2 GLN 57 -10.311 -9.912 1.248 420 HE22 GLN 57 2HE2 GLN 57 -9.931 -10.152 2.916 421 H GLN 58 H GLN 58 -12.118 -3.481 -0.058 422 HA GLN 58 HA GLN 58 -10.796 -3.709 -2.523 423 HB2 GLN 58 1HB GLN 58 -11.741 -1.614 -1.353 424 HB3 GLN 58 2HB GLN 58 -10.193 -1.548 -0.521 425 HG2 GLN 58 1HG GLN 58 -9.043 -0.974 -2.405 426 HG3 GLN 58 2HG GLN 58 -10.189 -1.771 -3.481 427 HE21 GLN 58 1HE2 GLN 58 -9.061 1.142 -2.494 428 HE22 GLN 58 2HE2 GLN 58 -10.407 2.138 -2.919 429 H LEU 59 H LEU 59 -8.813 -4.352 -3.057 430 HA LEU 59 HA LEU 59 -6.898 -4.871 -0.890 431 HB2 LEU 59 1HB LEU 59 -5.884 -6.498 -2.300 432 HB3 LEU 59 2HB LEU 59 -7.624 -6.774 -2.316 433 HG LEU 59 HG LEU 59 -6.397 -5.161 -4.505 434 HD11 LEU 59 1HD1 LEU 59 -6.375 -7.595 -5.623 435 HD12 LEU 59 2HD1 LEU 59 -5.915 -8.025 -3.976 436 HD13 LEU 59 3HD1 LEU 59 -4.954 -6.856 -4.883 437 HD21 LEU 59 1HD2 LEU 59 -8.655 -5.212 -4.816 438 HD22 LEU 59 2HD2 LEU 59 -8.843 -6.780 -4.029 439 HD23 LEU 59 3HD2 LEU 59 -8.214 -6.688 -5.675 440 H GLN 60 H GLN 60 -7.414 -3.056 -3.793 441 HA GLN 60 HA GLN 60 -4.725 -1.893 -3.503 442 HB2 GLN 60 1HB GLN 60 -6.153 -2.845 -5.931 443 HB3 GLN 60 2HB GLN 60 -5.192 -1.380 -6.083 444 HG2 GLN 60 1HG GLN 60 -3.216 -2.549 -5.345 445 HG3 GLN 60 2HG GLN 60 -4.157 -4.010 -5.050 446 HE21 GLN 60 1HE2 GLN 60 -3.257 -1.732 -7.599 447 HE22 GLN 60 2HE2 GLN 60 -3.235 -2.896 -8.875 448 H GLY 61 H GLY 61 -4.569 0.305 -3.527 449 HA2 GLY 61 1HA GLY 61 -6.515 2.066 -4.557 450 HA3 GLY 61 2HA GLY 61 -6.801 1.845 -2.837 451 H TYR 62 H TYR 62 -6.345 4.302 -3.262 452 HA TYR 62 HA TYR 62 -3.543 4.980 -3.404 453 HB2 TYR 62 1HB TYR 62 -6.038 6.619 -2.958 454 HB3 TYR 62 2HB TYR 62 -4.422 7.316 -2.940 455 HD1 TYR 62 2HD TYR 62 -3.013 6.205 -5.121 456 HD2 TYR 62 1HD TYR 62 -7.155 7.152 -4.898 457 HE1 TYR 62 2HE TYR 62 -3.084 6.444 -7.568 458 HE2 TYR 62 1HE TYR 62 -7.238 7.392 -7.345 459 HH TYR 62 HH TYR 62 -4.601 6.441 -9.374 460 H ILE 63 H ILE 63 -2.190 5.319 -1.753 461 HA ILE 63 HA ILE 63 -3.295 5.631 0.950 462 HB ILE 63 HB ILE 63 -1.603 4.115 1.867 463 HG12 ILE 63 1HG1 ILE 63 -1.016 3.219 -0.949 464 HG13 ILE 63 2HG1 ILE 63 -0.050 4.456 -0.152 465 HG21 ILE 63 1HG2 ILE 63 -2.878 2.262 1.580 466 HG22 ILE 63 2HG2 ILE 63 -3.956 3.428 0.814 467 HG23 ILE 63 3HG2 ILE 63 -2.904 2.416 -0.176 468 HD11 ILE 63 1HD1 ILE 63 -0.271 2.264 1.620 469 HD12 ILE 63 2HD1 ILE 63 0.170 1.640 0.030 470 HD13 ILE 63 3HD1 ILE 63 1.163 2.878 0.798 471 HA PRO 64 HA PRO 64 -0.364 8.893 1.301 472 HB2 PRO 64 1HB PRO 64 -0.121 8.990 4.004 473 HB3 PRO 64 2HB PRO 64 -1.555 9.568 3.147 474 HG2 PRO 64 1HG PRO 64 -1.110 6.962 4.550 475 HG3 PRO 64 2HG PRO 64 -2.535 8.017 4.575 476 HD2 PRO 64 1HD PRO 64 -2.398 5.790 3.041 477 HD3 PRO 64 2HD PRO 64 -3.306 7.234 2.549 478 H SER 65 H SER 65 1.771 8.915 1.014 479 HA SER 65 HA SER 65 3.378 6.638 1.661 480 HB2 SER 65 1HB SER 65 5.231 7.973 0.680 481 HB3 SER 65 2HB SER 65 3.821 7.894 -0.376 482 HG SER 65 HG SER 65 4.879 10.053 1.034 483 H ASN 66 H ASN 66 3.108 9.946 2.885 484 HA ASN 66 HA ASN 66 5.269 9.942 4.639 485 HB2 ASN 66 1HB ASN 66 2.604 11.317 5.048 486 HB3 ASN 66 2HB ASN 66 4.130 11.753 5.810 487 HD21 ASN 66 1HD2 ASN 66 5.572 12.986 4.724 488 HD22 ASN 66 2HD2 ASN 66 5.289 13.644 3.152 489 H TYR 67 H TYR 67 2.478 8.056 4.727 490 HA TYR 67 HA TYR 67 2.476 7.718 7.618 491 HB2 TYR 67 1HB TYR 67 0.709 6.856 5.375 492 HB3 TYR 67 2HB TYR 67 0.703 5.893 6.849 493 HD1 TYR 67 1HD TYR 67 0.785 9.562 6.105 494 HD2 TYR 67 2HD TYR 67 -1.108 6.369 8.185 495 HE1 TYR 67 1HE TYR 67 -0.771 11.164 7.137 496 HE2 TYR 67 2HE TYR 67 -2.669 7.962 9.221 497 HH TYR 67 HH TYR 67 -2.750 10.373 9.761 498 H VAL 68 H VAL 68 3.615 6.118 4.748 499 HA VAL 68 HA VAL 68 4.486 3.814 6.362 500 HB VAL 68 HB VAL 68 4.692 2.555 4.307 501 HG11 VAL 68 1HG1 VAL 68 2.240 2.815 3.489 502 HG12 VAL 68 2HG1 VAL 68 2.551 2.292 5.145 503 HG13 VAL 68 3HG1 VAL 68 2.106 3.967 4.817 504 HG21 VAL 68 1HG2 VAL 68 4.258 3.428 2.149 505 HG22 VAL 68 2HG2 VAL 68 3.639 4.943 2.807 506 HG23 VAL 68 3HG2 VAL 68 5.358 4.565 2.929 507 H ALA 69 H ALA 69 6.541 2.787 5.157 508 HA ALA 69 HA ALA 69 8.443 4.675 4.155 509 HB1 ALA 69 1HB ALA 69 10.023 4.577 6.008 510 HB2 ALA 69 2HB ALA 69 8.495 5.295 6.519 511 HB3 ALA 69 3HB ALA 69 8.873 3.627 6.950 512 H GLU 70 H GLU 70 10.222 3.687 3.244 513 HA GLU 70 HA GLU 70 9.979 0.999 2.493 514 HB2 GLU 70 1HB GLU 70 12.095 1.246 1.413 515 HB3 GLU 70 2HB GLU 70 11.250 2.780 1.260 516 HG2 GLU 70 1HG GLU 70 12.556 3.568 3.262 517 HG3 GLU 70 2HG GLU 70 13.523 2.103 3.102 518 H ASP 71 H ASP 71 10.495 -0.834 3.482 519 HA ASP 71 HA ASP 71 11.954 -0.709 6.006 520 HB2 ASP 71 1HB ASP 71 9.764 -1.924 5.823 521 HB3 ASP 71 2HB ASP 71 10.560 -3.086 4.764 522 H SER 72 H SER 72 13.702 -2.126 6.483 523 HA SER 72 HA SER 72 15.721 -2.215 4.597 524 HB2 SER 72 1HB SER 72 15.251 -3.549 7.217 525 HB3 SER 72 2HB SER 72 16.543 -4.191 6.202 526 HG SER 72 HG SER 72 16.882 -2.286 7.786 527 H GLY 73 H GLY 73 14.828 -3.031 2.651 528 HA2 GLY 73 1HA GLY 73 14.106 -5.873 2.625 529 HA3 GLY 73 2HA GLY 73 13.844 -4.729 1.317 530 HA PRO 74 HA PRO 74 17.442 -7.330 0.099 531 HB2 PRO 74 1HB PRO 74 16.712 -7.498 -2.511 532 HB3 PRO 74 2HB PRO 74 16.095 -8.593 -1.268 533 HG2 PRO 74 1HG PRO 74 14.809 -6.168 -2.463 534 HG3 PRO 74 2HG PRO 74 14.092 -7.747 -2.093 535 HD2 PRO 74 1HD PRO 74 13.776 -5.592 -0.485 536 HD3 PRO 74 2HD PRO 74 13.842 -7.250 0.144 537 H SER 75 H SER 75 19.248 -6.175 -0.118 538 HA SER 75 HA SER 75 19.481 -3.551 -0.919 539 HB2 SER 75 1HB SER 75 21.576 -5.715 -1.230 540 HB3 SER 75 2HB SER 75 21.880 -3.979 -1.190 541 HG SER 75 HG SER 75 20.959 -5.652 0.895 542 H SER 76 H SER 76 20.319 -2.560 -2.831 543 HA SER 76 HA SER 76 19.026 -3.107 -5.163 544 HB2 SER 76 1HB SER 76 21.632 -1.718 -4.616 545 HB3 SER 76 2HB SER 76 21.064 -1.913 -6.274 546 HG SER 76 HG SER 76 20.424 0.064 -5.046 547 H GLY 77 H GLY 77 22.223 -4.306 -4.201 548 HA2 GLY 77 1HA GLY 77 21.884 -6.641 -5.860 549 HA3 GLY 77 2HA GLY 77 23.121 -5.539 -6.448 Start of MODEL 9 1 H1 GLY 1 H GLY 1 24.364 -12.307 -6.227 2 HA2 GLY 1 1HA GLY 1 24.508 -9.513 -7.183 3 HA3 GLY 1 2HA GLY 1 24.718 -10.900 -8.242 4 H SER 2 H SER 2 22.618 -8.560 -7.486 5 HA SER 2 HA SER 2 20.241 -10.253 -7.866 6 HB2 SER 2 1HB SER 2 20.548 -7.485 -6.692 7 HB3 SER 2 2HB SER 2 18.982 -8.197 -7.084 8 HG SER 2 HG SER 2 19.750 -10.007 -5.695 9 H SER 3 H SER 3 20.253 -10.465 -10.080 10 HA SER 3 HA SER 3 20.849 -8.597 -12.002 11 HB2 SER 3 1HB SER 3 18.680 -10.708 -12.117 12 HB3 SER 3 2HB SER 3 19.360 -9.873 -13.513 13 HG SER 3 HG SER 3 20.345 -11.917 -13.131 14 H GLY 4 H GLY 4 17.652 -9.198 -10.546 15 HA2 GLY 4 1HA GLY 4 16.941 -6.448 -10.602 16 HA3 GLY 4 2HA GLY 4 16.189 -7.300 -11.943 17 H SER 5 H SER 5 14.642 -6.078 -10.035 18 HA SER 5 HA SER 5 13.120 -8.318 -9.057 19 HB2 SER 5 1HB SER 5 14.480 -6.419 -7.143 20 HB3 SER 5 2HB SER 5 13.065 -7.369 -6.691 21 HG SER 5 HG SER 5 15.668 -8.223 -7.301 22 H SER 6 H SER 6 11.026 -7.859 -9.236 23 HA SER 6 HA SER 6 10.246 -5.028 -9.457 24 HB2 SER 6 1HB SER 6 8.924 -7.483 -10.640 25 HB3 SER 6 2HB SER 6 8.331 -5.830 -10.807 26 HG SER 6 HG SER 6 10.239 -5.318 -11.918 27 H GLY 7 H GLY 7 9.782 -4.599 -7.320 28 HA2 GLY 7 1HA GLY 7 7.254 -4.997 -6.349 29 HA3 GLY 7 2HA GLY 7 8.174 -6.357 -5.722 30 H GLN 8 H GLN 8 7.458 -3.022 -5.410 31 HA GLN 8 HA GLN 8 9.631 -2.532 -3.538 32 HB2 GLN 8 1HB GLN 8 7.492 -0.825 -4.770 33 HB3 GLN 8 2HB GLN 8 8.382 -0.259 -3.363 34 HG2 GLN 8 1HG GLN 8 10.485 -0.551 -4.609 35 HG3 GLN 8 2HG GLN 8 9.553 -1.034 -6.025 36 HE21 GLN 8 1HE2 GLN 8 10.828 0.823 -6.894 37 HE22 GLN 8 2HE2 GLN 8 10.122 2.395 -6.773 38 H TYR 9 H TYR 9 9.358 -3.429 -1.592 39 HA TYR 9 HA TYR 9 6.701 -3.529 -0.391 40 HB2 TYR 9 1HB TYR 9 9.272 -4.622 0.753 41 HB3 TYR 9 2HB TYR 9 7.626 -5.056 1.201 42 HD1 TYR 9 2HD TYR 9 6.255 -5.672 -1.194 43 HD2 TYR 9 1HD TYR 9 10.345 -6.385 -0.266 44 HE1 TYR 9 2HE TYR 9 6.296 -7.518 -2.819 45 HE2 TYR 9 1HE TYR 9 10.398 -8.233 -1.889 46 HH TYR 9 HH TYR 9 7.969 -8.733 -4.182 47 H PHE 10 H PHE 10 6.031 -2.161 1.126 48 HA PHE 10 HA PHE 10 8.039 -0.464 2.457 49 HB2 PHE 10 1HB PHE 10 5.387 0.204 1.249 50 HB3 PHE 10 2HB PHE 10 5.939 1.125 2.644 51 HD1 PHE 10 1HD PHE 10 7.307 -0.110 -0.603 52 HD2 PHE 10 2HD PHE 10 7.056 3.074 2.210 53 HE1 PHE 10 1HE PHE 10 8.675 1.302 -2.084 54 HE2 PHE 10 2HE PHE 10 8.422 4.491 0.734 55 HZ PHE 10 HZ PHE 10 9.233 3.606 -1.417 56 H VAL 11 H VAL 11 7.240 0.463 4.559 57 HA VAL 11 HA VAL 11 5.587 -1.514 5.992 58 HB VAL 11 HB VAL 11 8.081 -1.536 6.525 59 HG11 VAL 11 1HG1 VAL 11 7.616 0.784 8.313 60 HG12 VAL 11 2HG1 VAL 11 9.107 0.208 7.565 61 HG13 VAL 11 3HG1 VAL 11 7.934 1.117 6.611 62 HG21 VAL 11 1HG2 VAL 11 6.125 -2.371 7.965 63 HG22 VAL 11 2HG2 VAL 11 7.683 -2.121 8.752 64 HG23 VAL 11 3HG2 VAL 11 6.401 -0.923 8.934 65 H ALA 12 H ALA 12 3.876 -0.733 7.043 66 HA ALA 12 HA ALA 12 3.252 2.054 6.926 67 HB1 ALA 12 1HB ALA 12 1.469 0.476 6.700 68 HB2 ALA 12 2HB ALA 12 1.853 -0.259 8.257 69 HB3 ALA 12 3HB ALA 12 1.212 1.382 8.191 70 H LEU 13 H LEU 13 4.685 3.238 8.143 71 HA LEU 13 HA LEU 13 5.648 2.612 10.680 72 HB2 LEU 13 1HB LEU 13 5.104 5.374 9.606 73 HB3 LEU 13 2HB LEU 13 6.241 4.942 10.882 74 HG LEU 13 HG LEU 13 6.610 3.785 8.155 75 HD11 LEU 13 1HD1 LEU 13 8.084 6.253 8.589 76 HD12 LEU 13 2HD1 LEU 13 6.345 6.507 8.459 77 HD13 LEU 13 3HD1 LEU 13 7.214 5.686 7.163 78 HD21 LEU 13 1HD2 LEU 13 9.035 4.517 9.160 79 HD22 LEU 13 2HD2 LEU 13 8.297 2.927 9.356 80 HD23 LEU 13 3HD2 LEU 13 8.136 4.137 10.630 81 H PHE 14 H PHE 14 2.674 4.208 9.695 82 HA PHE 14 HA PHE 14 1.706 3.963 12.454 83 HB2 PHE 14 1HB PHE 14 0.998 6.362 10.783 84 HB3 PHE 14 2HB PHE 14 0.829 6.144 12.522 85 HD1 PHE 14 2HD PHE 14 3.162 6.880 9.795 86 HD2 PHE 14 1HD PHE 14 2.677 6.507 14.007 87 HE1 PHE 14 2HE PHE 14 5.327 7.996 10.139 88 HE2 PHE 14 1HE PHE 14 4.842 7.623 14.358 89 HZ PHE 14 HZ PHE 14 6.170 8.368 12.423 90 H ASP 15 H ASP 15 -0.668 4.032 12.609 91 HA ASP 15 HA ASP 15 -1.844 2.411 10.551 92 HB2 ASP 15 1HB ASP 15 -3.884 2.537 12.022 93 HB3 ASP 15 2HB ASP 15 -2.442 1.907 12.814 94 H TYR 16 H TYR 16 -3.753 2.908 9.364 95 HA TYR 16 HA TYR 16 -4.471 5.738 9.171 96 HB2 TYR 16 1HB TYR 16 -2.783 5.489 7.465 97 HB3 TYR 16 2HB TYR 16 -3.555 4.032 6.849 98 HD1 TYR 16 2HD TYR 16 -3.950 7.698 7.193 99 HD2 TYR 16 1HD TYR 16 -5.301 4.157 5.259 100 HE1 TYR 16 2HE TYR 16 -5.258 9.063 5.620 101 HE2 TYR 16 1HE TYR 16 -6.611 5.513 3.680 102 HH TYR 16 HH TYR 16 -7.620 8.290 4.036 103 H GLN 17 H GLN 17 -6.514 6.125 8.175 104 HA GLN 17 HA GLN 17 -8.210 3.733 7.914 105 HB2 GLN 17 1HB GLN 17 -8.652 6.222 9.509 106 HB3 GLN 17 2HB GLN 17 -10.041 5.403 8.807 107 HG2 GLN 17 1HG GLN 17 -9.116 3.295 9.934 108 HG3 GLN 17 2HG GLN 17 -8.121 4.405 10.874 109 HE21 GLN 17 1HE2 GLN 17 -10.294 2.600 11.689 110 HE22 GLN 17 2HE2 GLN 17 -11.451 3.598 12.494 111 H ALA 18 H ALA 18 -8.906 3.583 5.894 112 HA ALA 18 HA ALA 18 -8.834 5.717 4.036 113 HB1 ALA 18 1HB ALA 18 -9.184 2.935 3.936 114 HB2 ALA 18 2HB ALA 18 -10.617 3.638 3.186 115 HB3 ALA 18 3HB ALA 18 -9.012 4.051 2.581 116 H ARG 19 H ARG 19 -10.429 7.013 3.215 117 HA ARG 19 HA ARG 19 -12.853 7.215 4.834 118 HB2 ARG 19 1HB ARG 19 -11.914 9.121 2.691 119 HB3 ARG 19 2HB ARG 19 -13.096 9.426 3.957 120 HG2 ARG 19 1HG ARG 19 -10.311 8.705 4.725 121 HG3 ARG 19 2HG ARG 19 -10.655 10.338 4.151 122 HD2 ARG 19 1HD ARG 19 -10.999 10.618 6.395 123 HD3 ARG 19 2HD ARG 19 -12.627 10.176 5.883 124 HE ARG 19 HE ARG 19 -11.270 7.833 6.558 125 HH11 ARG 19 2HH1 ARG 19 -12.452 10.727 8.092 126 HH12 ARG 19 1HH1 ARG 19 -12.706 9.966 9.627 127 HH21 ARG 19 2HH2 ARG 19 -11.601 6.820 8.575 128 HH22 ARG 19 1HH2 ARG 19 -12.221 7.744 9.901 129 H THR 20 H THR 20 -11.821 6.750 1.495 130 HA THR 20 HA THR 20 -14.588 5.987 0.825 131 HB THR 20 HB THR 20 -14.151 6.747 -1.498 132 HG1 THR 20 1HG THR 20 -11.704 6.737 -0.908 133 HG21 THR 20 1HG2 THR 20 -14.901 8.248 0.662 134 HG22 THR 20 2HG2 THR 20 -14.975 8.784 -1.017 135 HG23 THR 20 3HG2 THR 20 -13.589 9.212 -0.014 136 H ALA 21 H ALA 21 -14.814 4.349 -0.808 137 HA ALA 21 HA ALA 21 -13.339 2.076 -0.446 138 HB1 ALA 21 1HB ALA 21 -14.897 2.979 -2.856 139 HB2 ALA 21 2HB ALA 21 -14.208 1.362 -2.705 140 HB3 ALA 21 3HB ALA 21 -15.424 1.913 -1.552 141 H GLU 22 H GLU 22 -12.766 4.646 -2.805 142 HA GLU 22 HA GLU 22 -10.802 3.473 -4.356 143 HB2 GLU 22 1HB GLU 22 -11.264 6.318 -3.504 144 HB3 GLU 22 2HB GLU 22 -9.901 5.892 -4.530 145 HG2 GLU 22 1HG GLU 22 -11.525 4.870 -6.127 146 HG3 GLU 22 2HG GLU 22 -12.824 5.536 -5.138 147 H ASP 23 H ASP 23 -10.491 5.078 -1.223 148 HA ASP 23 HA ASP 23 -7.634 4.804 -1.145 149 HB2 ASP 23 1HB ASP 23 -9.692 5.606 0.909 150 HB3 ASP 23 2HB ASP 23 -7.978 5.473 1.292 151 H LEU 24 H LEU 24 -6.549 3.637 0.669 152 HA LEU 24 HA LEU 24 -7.882 1.058 1.176 153 HB2 LEU 24 1HB LEU 24 -5.837 1.184 -0.404 154 HB3 LEU 24 2HB LEU 24 -4.907 1.391 1.079 155 HG LEU 24 HG LEU 24 -5.861 -0.790 1.871 156 HD11 LEU 24 1HD1 LEU 24 -6.627 -2.256 -0.108 157 HD12 LEU 24 2HD1 LEU 24 -7.007 -0.723 -0.892 158 HD13 LEU 24 3HD1 LEU 24 -7.786 -1.151 0.631 159 HD21 LEU 24 1HD2 LEU 24 -4.468 -2.142 0.187 160 HD22 LEU 24 2HD2 LEU 24 -3.654 -0.892 1.129 161 HD23 LEU 24 3HD2 LEU 24 -4.104 -0.581 -0.549 162 H SER 25 H SER 25 -7.639 0.110 3.196 163 HA SER 25 HA SER 25 -6.717 1.946 5.299 164 HB2 SER 25 1HB SER 25 -8.189 0.738 6.813 165 HB3 SER 25 2HB SER 25 -9.098 1.230 5.384 166 HG SER 25 HG SER 25 -9.484 -0.961 5.991 167 H PHE 26 H PHE 26 -5.327 1.267 6.908 168 HA PHE 26 HA PHE 26 -4.394 -1.446 7.053 169 HB2 PHE 26 1HB PHE 26 -2.032 -0.917 6.523 170 HB3 PHE 26 2HB PHE 26 -3.093 -0.720 5.132 171 HD1 PHE 26 1HD PHE 26 -3.714 1.546 4.365 172 HD2 PHE 26 2HD PHE 26 -0.833 0.913 7.434 173 HE1 PHE 26 1HE PHE 26 -2.889 3.843 4.060 174 HE2 PHE 26 2HE PHE 26 -0.004 3.210 7.134 175 HZ PHE 26 HZ PHE 26 -1.032 4.679 5.446 176 H ARG 27 H ARG 27 -2.456 -1.557 8.625 177 HA ARG 27 HA ARG 27 -2.807 0.487 10.719 178 HB2 ARG 27 1HB ARG 27 -2.440 -2.493 11.078 179 HB3 ARG 27 2HB ARG 27 -2.459 -1.317 12.385 180 HG2 ARG 27 1HG ARG 27 -4.793 -0.699 11.297 181 HG3 ARG 27 2HG ARG 27 -4.688 -2.371 10.743 182 HD2 ARG 27 1HD ARG 27 -4.246 -3.044 13.106 183 HD3 ARG 27 2HD ARG 27 -4.565 -1.378 13.585 184 HE ARG 27 HE ARG 27 -6.812 -1.745 13.280 185 HH11 ARG 27 2HH1 ARG 27 -4.998 -4.379 11.904 186 HH12 ARG 27 1HH1 ARG 27 -6.393 -5.371 11.636 187 HH21 ARG 27 2HH2 ARG 27 -8.656 -3.042 12.931 188 HH22 ARG 27 1HH2 ARG 27 -8.473 -4.609 12.219 189 H ALA 28 H ALA 28 -0.947 0.311 12.383 190 HA ALA 28 HA ALA 28 1.467 0.897 11.040 191 HB1 ALA 28 1HB ALA 28 2.206 0.459 13.650 192 HB2 ALA 28 2HB ALA 28 1.629 1.986 12.982 193 HB3 ALA 28 3HB ALA 28 0.502 0.895 13.788 194 H GLY 29 H GLY 29 2.681 -0.571 10.036 195 HA2 GLY 29 1HA GLY 29 4.377 -2.298 10.439 196 HA3 GLY 29 2HA GLY 29 3.188 -3.124 11.435 197 H ASP 30 H ASP 30 0.971 -2.753 9.658 198 HA ASP 30 HA ASP 30 0.890 -5.033 8.229 199 HB2 ASP 30 1HB ASP 30 -0.855 -3.065 8.500 200 HB3 ASP 30 2HB ASP 30 -0.275 -2.625 6.896 201 H LYS 31 H LYS 31 1.634 -5.852 6.345 202 HA LYS 31 HA LYS 31 3.762 -4.407 5.018 203 HB2 LYS 31 1HB LYS 31 2.674 -7.165 4.429 204 HB3 LYS 31 2HB LYS 31 4.191 -6.492 3.847 205 HG2 LYS 31 1HG LYS 31 3.705 -6.689 6.782 206 HG3 LYS 31 2HG LYS 31 4.163 -8.130 5.871 207 HD2 LYS 31 1HD LYS 31 6.181 -7.047 5.099 208 HD3 LYS 31 2HD LYS 31 5.702 -5.533 5.870 209 HE2 LYS 31 1HE LYS 31 5.709 -6.783 8.059 210 HE3 LYS 31 2HE LYS 31 6.459 -8.128 7.199 211 HZ1 LYS 31 1HZ LYS 31 8.353 -6.831 6.725 212 HZ2 LYS 31 2HZ LYS 31 8.020 -6.570 8.362 213 HZ3 LYS 31 3HZ LYS 31 7.606 -5.395 7.218 214 H LEU 32 H LEU 32 3.369 -3.074 3.389 215 HA LEU 32 HA LEU 32 1.202 -3.749 1.511 216 HB2 LEU 32 1HB LEU 32 2.042 -0.974 2.329 217 HB3 LEU 32 2HB LEU 32 0.728 -1.397 1.234 218 HG LEU 32 HG LEU 32 0.672 -2.336 4.075 219 HD11 LEU 32 1HD1 LEU 32 1.132 0.112 4.073 220 HD12 LEU 32 2HD1 LEU 32 -0.421 -0.331 4.781 221 HD13 LEU 32 3HD1 LEU 32 -0.355 0.341 3.152 222 HD21 LEU 32 1HD2 LEU 32 -0.923 -3.055 2.176 223 HD22 LEU 32 2HD2 LEU 32 -1.622 -1.447 2.367 224 HD23 LEU 32 3HD2 LEU 32 -1.611 -2.572 3.727 225 H GLN 33 H GLN 33 1.763 -3.852 -0.572 226 HA GLN 33 HA GLN 33 4.499 -3.104 -1.292 227 HB2 GLN 33 1HB GLN 33 3.645 -5.419 -1.752 228 HB3 GLN 33 2HB GLN 33 2.514 -4.716 -2.900 229 HG2 GLN 33 1HG GLN 33 4.664 -3.683 -3.951 230 HG3 GLN 33 2HG GLN 33 5.474 -4.983 -3.080 231 HE21 GLN 33 1HE2 GLN 33 3.769 -7.049 -3.298 232 HE22 GLN 33 2HE2 GLN 33 3.555 -7.494 -4.954 233 H VAL 34 H VAL 34 4.853 -1.252 -2.302 234 HA VAL 34 HA VAL 34 2.701 0.323 -3.359 235 HB VAL 34 HB VAL 34 5.687 0.775 -3.455 236 HG11 VAL 34 1HG1 VAL 34 4.424 1.941 -5.253 237 HG12 VAL 34 2HG1 VAL 34 3.477 2.751 -4.004 238 HG13 VAL 34 3HG1 VAL 34 5.214 3.033 -4.117 239 HG21 VAL 34 1HG2 VAL 34 4.680 2.650 -1.782 240 HG22 VAL 34 2HG2 VAL 34 3.595 1.299 -1.454 241 HG23 VAL 34 3HG2 VAL 34 5.336 1.100 -1.253 242 H LEU 35 H LEU 35 1.910 0.249 -5.350 243 HA LEU 35 HA LEU 35 3.463 -1.112 -7.436 244 HB2 LEU 35 1HB LEU 35 0.595 -0.356 -7.754 245 HB3 LEU 35 2HB LEU 35 1.483 -1.705 -8.459 246 HG LEU 35 HG LEU 35 0.975 -1.659 -5.516 247 HD11 LEU 35 1HD1 LEU 35 -1.012 -2.658 -7.547 248 HD12 LEU 35 2HD1 LEU 35 -1.184 -1.159 -6.635 249 HD13 LEU 35 3HD1 LEU 35 -1.163 -2.707 -5.791 250 HD21 LEU 35 1HD2 LEU 35 1.934 -3.650 -5.693 251 HD22 LEU 35 2HD2 LEU 35 2.054 -3.466 -7.443 252 HD23 LEU 35 3HD2 LEU 35 0.609 -4.181 -6.728 253 H ASP 36 H ASP 36 1.227 1.654 -7.143 254 HA ASP 36 HA ASP 36 2.638 2.934 -9.381 255 HB2 ASP 36 1HB ASP 36 0.024 2.527 -9.244 256 HB3 ASP 36 2HB ASP 36 0.072 4.012 -8.297 257 H THR 37 H THR 37 3.791 4.739 -9.085 258 HA THR 37 HA THR 37 3.510 6.170 -6.526 259 HB THR 37 HB THR 37 5.945 6.542 -6.492 260 HG1 THR 37 1HG THR 37 6.160 4.576 -8.528 261 HG21 THR 37 1HG2 THR 37 5.960 4.763 -5.152 262 HG22 THR 37 2HG2 THR 37 6.245 3.735 -6.557 263 HG23 THR 37 3HG2 THR 37 4.597 4.062 -6.023 264 H SER 38 H SER 38 2.302 6.829 -9.036 265 HA SER 38 HA SER 38 3.853 8.942 -10.237 266 HB2 SER 38 1HB SER 38 1.070 7.875 -10.656 267 HB3 SER 38 2HB SER 38 1.592 9.373 -11.425 268 HG SER 38 HG SER 38 2.093 7.804 -12.860 269 H HIS 39 H HIS 39 0.527 9.105 -8.992 270 HA HIS 39 HA HIS 39 0.530 11.835 -8.487 271 HB2 HIS 39 1HB HIS 39 -1.390 10.010 -8.442 272 HB3 HIS 39 2HB HIS 39 -1.068 10.043 -6.711 273 HD1 HIS 39 1HD HIS 39 -3.230 11.179 -6.031 274 HD2 HIS 39 2HD HIS 39 -1.082 13.322 -8.869 275 HE1 HIS 39 1HE HIS 39 -4.354 13.424 -6.171 276 HE2 HIS 39 2HE HIS 39 -3.090 14.673 -7.955 277 H GLU 40 H GLU 40 2.258 12.643 -7.384 278 HA GLU 40 HA GLU 40 3.621 11.605 -5.253 279 HB2 GLU 40 1HB GLU 40 4.195 13.932 -4.639 280 HB3 GLU 40 2HB GLU 40 4.349 13.628 -6.364 281 HG2 GLU 40 1HG GLU 40 2.223 14.726 -6.770 282 HG3 GLU 40 2HG GLU 40 2.015 14.990 -5.039 283 H GLY 41 H GLY 41 3.342 11.403 -3.091 284 HA2 GLY 41 1HA GLY 41 2.378 11.945 -0.992 285 HA3 GLY 41 2HA GLY 41 1.027 12.690 -1.834 286 H TRP 42 H TRP 42 -0.120 10.950 -3.339 287 HA TRP 42 HA TRP 42 -0.832 8.755 -1.528 288 HB2 TRP 42 1HB TRP 42 -2.311 9.998 -3.853 289 HB3 TRP 42 2HB TRP 42 -2.879 8.579 -2.977 290 HD1 TRP 42 HD TRP 42 -2.574 12.357 -2.681 291 HE1 TRP 42 1HE TRP 42 -3.885 13.143 -0.611 292 HE3 TRP 42 3HE TRP 42 -3.627 7.803 -0.609 293 HZ2 TRP 42 2HZ TRP 42 -5.192 11.987 1.608 294 HZ3 TRP 42 3HZ TRP 42 -4.911 7.731 1.488 295 HH2 TRP 42 HH TRP 42 -5.676 9.780 2.572 296 H TRP 43 H TRP 43 -0.066 6.801 -1.946 297 HA TRP 43 HA TRP 43 0.716 6.155 -4.710 298 HB2 TRP 43 1HB TRP 43 1.709 5.073 -2.068 299 HB3 TRP 43 2HB TRP 43 2.139 4.378 -3.628 300 HD1 TRP 43 HD TRP 43 2.253 7.618 -4.773 301 HE1 TRP 43 1HE TRP 43 4.503 8.810 -4.400 302 HE3 TRP 43 3HE TRP 43 4.191 4.578 -1.149 303 HZ2 TRP 43 2HZ TRP 43 6.797 8.502 -2.784 304 HZ3 TRP 43 3HZ TRP 43 6.420 5.095 -0.243 305 HH2 TRP 43 HH TRP 43 7.694 7.017 -1.046 306 H LEU 44 H LEU 44 0.245 4.067 -5.541 307 HA LEU 44 HA LEU 44 -2.198 2.925 -4.401 308 HB2 LEU 44 1HB LEU 44 -2.418 3.550 -6.686 309 HB3 LEU 44 2HB LEU 44 -0.924 2.722 -7.119 310 HG LEU 44 HG LEU 44 -2.158 0.574 -6.413 311 HD11 LEU 44 1HD1 LEU 44 -4.647 2.018 -7.142 312 HD12 LEU 44 2HD1 LEU 44 -4.061 2.158 -5.485 313 HD13 LEU 44 3HD1 LEU 44 -4.421 0.569 -6.161 314 HD21 LEU 44 1HD2 LEU 44 -3.052 2.077 -8.871 315 HD22 LEU 44 2HD2 LEU 44 -3.105 0.329 -8.635 316 HD23 LEU 44 3HD2 LEU 44 -1.552 1.162 -8.719 317 H ALA 45 H ALA 45 -1.508 1.549 -2.817 318 HA ALA 45 HA ALA 45 0.313 -0.616 -3.645 319 HB1 ALA 45 1HB ALA 45 -0.057 -0.404 -0.783 320 HB2 ALA 45 2HB ALA 45 1.430 -0.400 -1.732 321 HB3 ALA 45 3HB ALA 45 0.542 1.102 -1.480 322 H ARG 46 H ARG 46 -0.079 -2.706 -2.453 323 HA ARG 46 HA ARG 46 -2.958 -3.147 -2.015 324 HB2 ARG 46 1HB ARG 46 -2.885 -5.203 -3.219 325 HB3 ARG 46 2HB ARG 46 -2.147 -3.982 -4.246 326 HG2 ARG 46 1HG ARG 46 0.086 -4.796 -3.346 327 HG3 ARG 46 2HG ARG 46 -0.806 -6.177 -2.704 328 HD2 ARG 46 1HD ARG 46 -1.040 -5.383 -5.585 329 HD3 ARG 46 2HD ARG 46 0.298 -6.386 -5.025 330 HE ARG 46 HE ARG 46 -2.370 -7.225 -5.481 331 HH11 ARG 46 2HH1 ARG 46 0.340 -7.706 -3.349 332 HH12 ARG 46 1HH1 ARG 46 -0.109 -9.326 -2.931 333 HH21 ARG 46 2HH2 ARG 46 -2.972 -9.357 -4.938 334 HH22 ARG 46 1HH2 ARG 46 -1.993 -10.265 -3.836 335 H HIS 47 H HIS 47 -3.507 -4.836 -0.564 336 HA HIS 47 HA HIS 47 -1.829 -5.026 1.695 337 HB2 HIS 47 1HB HIS 47 -4.422 -6.227 0.861 338 HB3 HIS 47 2HB HIS 47 -3.554 -7.005 2.181 339 HD1 HIS 47 1HD HIS 47 -2.854 -5.219 4.179 340 HD2 HIS 47 2HD HIS 47 -6.010 -4.198 1.676 341 HE1 HIS 47 1HE HIS 47 -4.142 -3.444 5.410 342 HE2 HIS 47 2HE HIS 47 -6.094 -2.903 3.914 343 H LEU 48 H LEU 48 -0.256 -6.407 2.211 344 HA LEU 48 HA LEU 48 0.311 -8.605 0.361 345 HB2 LEU 48 1HB LEU 48 1.990 -7.245 2.458 346 HB3 LEU 48 2HB LEU 48 2.519 -8.656 1.545 347 HG LEU 48 HG LEU 48 1.791 -6.005 0.305 348 HD11 LEU 48 1HD1 LEU 48 4.482 -6.363 -0.049 349 HD12 LEU 48 2HD1 LEU 48 4.236 -6.927 1.603 350 HD13 LEU 48 3HD1 LEU 48 3.737 -5.299 1.144 351 HD21 LEU 48 1HD2 LEU 48 2.007 -7.011 -1.663 352 HD22 LEU 48 2HD2 LEU 48 2.041 -8.553 -0.807 353 HD23 LEU 48 3HD2 LEU 48 3.550 -7.724 -1.194 354 H GLU 49 H GLU 49 -0.143 -7.935 3.804 355 HA GLU 49 HA GLU 49 0.401 -10.408 4.889 356 HB2 GLU 49 1HB GLU 49 -1.570 -8.270 5.632 357 HB3 GLU 49 2HB GLU 49 -1.498 -9.769 6.546 358 HG2 GLU 49 1HG GLU 49 0.935 -8.084 6.071 359 HG3 GLU 49 2HG GLU 49 -0.163 -7.789 7.418 360 H LYS 50 H LYS 50 -2.686 -9.272 3.541 361 HA LYS 50 HA LYS 50 -4.076 -11.703 3.975 362 HB2 LYS 50 1HB LYS 50 -5.085 -9.411 3.557 363 HB3 LYS 50 2HB LYS 50 -4.710 -9.650 1.856 364 HG2 LYS 50 1HG LYS 50 -6.928 -10.296 2.015 365 HG3 LYS 50 2HG LYS 50 -6.055 -11.829 2.080 366 HD2 LYS 50 1HD LYS 50 -6.470 -12.119 4.337 367 HD3 LYS 50 2HD LYS 50 -6.730 -10.396 4.615 368 HE2 LYS 50 1HE LYS 50 -8.843 -11.516 4.769 369 HE3 LYS 50 2HE LYS 50 -8.826 -10.561 3.287 370 HZ1 LYS 50 1HZ LYS 50 -9.752 -12.799 2.976 371 HZ2 LYS 50 2HZ LYS 50 -8.269 -13.475 3.425 372 HZ3 LYS 50 3HZ LYS 50 -8.380 -12.538 2.021 373 H LYS 51 H LYS 51 -4.030 -13.555 2.885 374 HA LYS 51 HA LYS 51 -3.046 -13.554 0.116 375 HB2 LYS 51 1HB LYS 51 -2.106 -15.253 2.409 376 HB3 LYS 51 2HB LYS 51 -1.979 -15.828 0.752 377 HG2 LYS 51 1HG LYS 51 -0.811 -13.223 1.700 378 HG3 LYS 51 2HG LYS 51 0.080 -14.747 1.669 379 HD2 LYS 51 1HD LYS 51 -0.621 -14.854 -0.809 380 HD3 LYS 51 2HD LYS 51 -0.984 -13.136 -0.627 381 HE2 LYS 51 1HE LYS 51 1.200 -13.089 -1.376 382 HE3 LYS 51 2HE LYS 51 1.412 -13.007 0.372 383 HZ1 LYS 51 1HZ LYS 51 2.724 -14.719 -1.146 384 HZ2 LYS 51 2HZ LYS 51 1.360 -15.665 -0.821 385 HZ3 LYS 51 3HZ LYS 51 2.299 -15.068 0.454 386 H GLY 52 H GLY 52 -4.836 -14.080 -0.990 387 HA2 GLY 52 1HA GLY 52 -5.866 -16.484 -1.406 388 HA3 GLY 52 2HA GLY 52 -6.684 -16.065 0.092 389 H THR 53 H THR 53 -8.377 -16.556 -1.794 390 HA THR 53 HA THR 53 -9.044 -14.028 -3.135 391 HB THR 53 HB THR 53 -10.140 -16.804 -3.628 392 HG1 THR 53 1HG THR 53 -8.746 -16.882 -5.296 393 HG21 THR 53 1HG2 THR 53 -11.511 -15.948 -5.255 394 HG22 THR 53 2HG2 THR 53 -10.489 -14.537 -5.528 395 HG23 THR 53 3HG2 THR 53 -11.534 -14.609 -4.109 396 H GLY 54 H GLY 54 -10.880 -12.924 -2.681 397 HA2 GLY 54 1HA GLY 54 -13.077 -14.113 -1.260 398 HA3 GLY 54 2HA GLY 54 -12.122 -13.034 -0.254 399 H LEU 55 H LEU 55 -14.591 -12.259 -0.428 400 HA LEU 55 HA LEU 55 -14.594 -10.115 -2.449 401 HB2 LEU 55 1HB LEU 55 -16.938 -11.673 -1.371 402 HB3 LEU 55 2HB LEU 55 -17.075 -10.241 -2.390 403 HG LEU 55 HG LEU 55 -15.682 -11.607 -4.090 404 HD11 LEU 55 1HD1 LEU 55 -16.615 -14.111 -3.625 405 HD12 LEU 55 2HD1 LEU 55 -16.224 -13.580 -1.989 406 HD13 LEU 55 3HD1 LEU 55 -14.983 -13.561 -3.243 407 HD21 LEU 55 1HD2 LEU 55 -17.730 -12.624 -4.982 408 HD22 LEU 55 2HD2 LEU 55 -17.999 -10.968 -4.437 409 HD23 LEU 55 3HD2 LEU 55 -18.540 -12.324 -3.445 410 H GLY 56 H GLY 56 -15.707 -8.149 -1.823 411 HA2 GLY 56 1HA GLY 56 -16.879 -6.993 0.047 412 HA3 GLY 56 2HA GLY 56 -15.714 -7.771 1.109 413 H GLN 57 H GLN 57 -14.548 -6.144 1.931 414 HA GLN 57 HA GLN 57 -13.984 -3.705 0.739 415 HB2 GLN 57 1HB GLN 57 -12.439 -5.247 2.826 416 HB3 GLN 57 2HB GLN 57 -12.076 -3.585 2.379 417 HG2 GLN 57 1HG GLN 57 -14.624 -4.609 3.607 418 HG3 GLN 57 2HG GLN 57 -13.396 -3.610 4.382 419 HE21 GLN 57 1HE2 GLN 57 -13.206 -1.435 3.789 420 HE22 GLN 57 2HE2 GLN 57 -14.487 -0.599 2.988 421 H GLN 58 H GLN 58 -12.309 -2.892 -0.472 422 HA GLN 58 HA GLN 58 -11.104 -4.568 -2.357 423 HB2 GLN 58 1HB GLN 58 -11.503 -1.981 -2.349 424 HB3 GLN 58 2HB GLN 58 -9.894 -1.923 -1.641 425 HG2 GLN 58 1HG GLN 58 -8.870 -2.607 -3.556 426 HG3 GLN 58 2HG GLN 58 -10.270 -3.525 -4.108 427 HE21 GLN 58 1HE2 GLN 58 -9.742 -0.139 -3.183 428 HE22 GLN 58 2HE2 GLN 58 -10.385 0.537 -4.637 429 H LEU 59 H LEU 59 -8.614 -4.458 -2.728 430 HA LEU 59 HA LEU 59 -7.302 -5.207 -0.198 431 HB2 LEU 59 1HB LEU 59 -5.825 -6.622 -1.716 432 HB3 LEU 59 2HB LEU 59 -7.467 -7.185 -1.414 433 HG LEU 59 HG LEU 59 -6.896 -5.587 -3.872 434 HD11 LEU 59 1HD1 LEU 59 -6.273 -8.508 -3.486 435 HD12 LEU 59 2HD1 LEU 59 -5.155 -7.226 -3.950 436 HD13 LEU 59 3HD1 LEU 59 -6.434 -7.724 -5.057 437 HD21 LEU 59 1HD2 LEU 59 -9.063 -6.032 -4.109 438 HD22 LEU 59 2HD2 LEU 59 -9.046 -7.188 -2.776 439 HD23 LEU 59 3HD2 LEU 59 -8.599 -7.709 -4.401 440 H GLN 60 H GLN 60 -7.141 -3.333 -3.099 441 HA GLN 60 HA GLN 60 -4.661 -2.104 -2.126 442 HB2 GLN 60 1HB GLN 60 -3.661 -2.076 -4.283 443 HB3 GLN 60 2HB GLN 60 -4.199 -3.726 -4.003 444 HG2 GLN 60 1HG GLN 60 -6.307 -3.056 -5.290 445 HG3 GLN 60 2HG GLN 60 -5.375 -1.654 -5.815 446 HE21 GLN 60 1HE2 GLN 60 -4.846 -2.009 -7.854 447 HE22 GLN 60 2HE2 GLN 60 -4.120 -3.449 -8.474 448 H GLY 61 H GLY 61 -4.438 0.096 -2.555 449 HA2 GLY 61 1HA GLY 61 -6.202 1.554 -4.239 450 HA3 GLY 61 2HA GLY 61 -6.738 1.646 -2.568 451 H TYR 62 H TYR 62 -6.340 3.977 -2.962 452 HA TYR 62 HA TYR 62 -3.589 4.834 -3.147 453 HB2 TYR 62 1HB TYR 62 -6.163 6.357 -2.708 454 HB3 TYR 62 2HB TYR 62 -4.583 7.121 -2.842 455 HD1 TYR 62 2HD TYR 62 -3.225 6.190 -5.022 456 HD2 TYR 62 1HD TYR 62 -7.454 6.421 -4.608 457 HE1 TYR 62 2HE TYR 62 -3.456 6.246 -7.470 458 HE2 TYR 62 1HE TYR 62 -7.696 6.476 -7.055 459 HH TYR 62 HH TYR 62 -5.307 5.616 -9.158 460 H ILE 63 H ILE 63 -2.250 5.239 -1.511 461 HA ILE 63 HA ILE 63 -3.349 5.737 1.160 462 HB ILE 63 HB ILE 63 -1.775 4.213 2.210 463 HG12 ILE 63 1HG1 ILE 63 -1.060 3.195 -0.539 464 HG13 ILE 63 2HG1 ILE 63 -0.091 4.400 0.303 465 HG21 ILE 63 1HG2 ILE 63 -2.881 2.285 0.341 466 HG22 ILE 63 2HG2 ILE 63 -3.231 2.532 2.051 467 HG23 ILE 63 3HG2 ILE 63 -4.057 3.502 0.833 468 HD11 ILE 63 1HD1 ILE 63 -0.066 2.649 2.218 469 HD12 ILE 63 2HD1 ILE 63 -0.497 1.518 0.934 470 HD13 ILE 63 3HD1 ILE 63 0.997 2.449 0.825 471 HA PRO 64 HA PRO 64 -0.279 8.877 1.347 472 HB2 PRO 64 1HB PRO 64 0.049 9.061 4.035 473 HB3 PRO 64 2HB PRO 64 -1.389 9.659 3.200 474 HG2 PRO 64 1HG PRO 64 -0.992 7.090 4.684 475 HG3 PRO 64 2HG PRO 64 -2.378 8.196 4.712 476 HD2 PRO 64 1HD PRO 64 -2.366 5.912 3.257 477 HD3 PRO 64 2HD PRO 64 -3.238 7.369 2.739 478 H SER 65 H SER 65 1.863 8.879 1.075 479 HA SER 65 HA SER 65 3.416 6.553 1.639 480 HB2 SER 65 1HB SER 65 3.889 7.911 -0.331 481 HB3 SER 65 2HB SER 65 4.259 9.302 0.688 482 HG SER 65 HG SER 65 5.661 6.914 1.104 483 H ASN 66 H ASN 66 3.190 9.786 3.045 484 HA ASN 66 HA ASN 66 5.354 9.681 4.786 485 HB2 ASN 66 1HB ASN 66 2.676 11.045 5.120 486 HB3 ASN 66 2HB ASN 66 4.066 11.332 6.163 487 HD21 ASN 66 1HD2 ASN 66 2.429 12.790 3.925 488 HD22 ASN 66 2HD2 ASN 66 3.672 13.585 3.026 489 H TYR 67 H TYR 67 2.512 7.833 4.803 490 HA TYR 67 HA TYR 67 2.551 7.295 7.655 491 HB2 TYR 67 1HB TYR 67 0.794 6.505 5.367 492 HB3 TYR 67 2HB TYR 67 0.774 5.530 6.832 493 HD1 TYR 67 1HD TYR 67 0.752 9.178 5.985 494 HD2 TYR 67 2HD TYR 67 -0.929 6.025 8.294 495 HE1 TYR 67 1HE TYR 67 -0.810 10.774 7.017 496 HE2 TYR 67 2HE TYR 67 -2.496 7.612 9.332 497 HH TYR 67 HH TYR 67 -3.371 9.701 9.179 498 H VAL 68 H VAL 68 3.723 5.899 4.702 499 HA VAL 68 HA VAL 68 4.651 3.531 6.193 500 HB VAL 68 HB VAL 68 4.832 2.378 4.031 501 HG11 VAL 68 1HG1 VAL 68 2.830 1.737 4.843 502 HG12 VAL 68 2HG1 VAL 68 2.295 3.395 5.126 503 HG13 VAL 68 3HG1 VAL 68 2.202 2.700 3.507 504 HG21 VAL 68 1HG2 VAL 68 3.571 4.871 2.893 505 HG22 VAL 68 2HG2 VAL 68 5.224 4.325 2.610 506 HG23 VAL 68 3HG2 VAL 68 3.866 3.371 2.014 507 H ALA 69 H ALA 69 6.684 2.567 5.013 508 HA ALA 69 HA ALA 69 8.507 4.577 3.999 509 HB1 ALA 69 1HB ALA 69 9.927 3.285 6.104 510 HB2 ALA 69 2HB ALA 69 9.607 5.005 5.876 511 HB3 ALA 69 3HB ALA 69 8.458 4.005 6.765 512 H GLU 70 H GLU 70 10.856 3.380 4.022 513 HA GLU 70 HA GLU 70 10.478 1.140 2.264 514 HB2 GLU 70 1HB GLU 70 12.265 2.997 2.108 515 HB3 GLU 70 2HB GLU 70 13.133 2.070 3.323 516 HG2 GLU 70 1HG GLU 70 13.210 0.152 1.847 517 HG3 GLU 70 2HG GLU 70 12.268 1.022 0.638 518 H ASP 71 H ASP 71 10.108 -0.834 3.010 519 HA ASP 71 HA ASP 71 11.135 -1.625 5.625 520 HB2 ASP 71 1HB ASP 71 8.713 -2.026 4.661 521 HB3 ASP 71 2HB ASP 71 9.472 -3.431 3.918 522 H SER 72 H SER 72 12.792 -2.979 5.913 523 HA SER 72 HA SER 72 14.581 -3.617 3.893 524 HB2 SER 72 1HB SER 72 14.860 -3.672 6.483 525 HB3 SER 72 2HB SER 72 14.338 -5.350 6.337 526 HG SER 72 HG SER 72 16.685 -4.892 6.216 527 H GLY 73 H GLY 73 13.936 -4.706 2.121 528 HA2 GLY 73 1HA GLY 73 12.587 -7.301 2.540 529 HA3 GLY 73 2HA GLY 73 12.362 -6.298 1.115 530 HA PRO 74 HA PRO 74 15.411 -8.718 -0.918 531 HB2 PRO 74 1HB PRO 74 16.162 -6.962 -2.847 532 HB3 PRO 74 2HB PRO 74 14.614 -7.815 -2.874 533 HG2 PRO 74 1HG PRO 74 15.223 -5.021 -1.986 534 HG3 PRO 74 2HG PRO 74 13.867 -5.615 -2.963 535 HD2 PRO 74 1HD PRO 74 13.632 -5.075 -0.320 536 HD3 PRO 74 2HD PRO 74 12.699 -6.357 -1.119 537 H SER 75 H SER 75 17.706 -8.701 -1.548 538 HA SER 75 HA SER 75 19.380 -6.613 -0.439 539 HB2 SER 75 1HB SER 75 19.267 -9.390 0.729 540 HB3 SER 75 2HB SER 75 20.702 -8.375 0.882 541 HG SER 75 HG SER 75 19.707 -7.192 2.314 542 H SER 76 H SER 76 21.636 -6.865 -1.009 543 HA SER 76 HA SER 76 22.018 -8.651 -3.323 544 HB2 SER 76 1HB SER 76 21.878 -6.188 -3.858 545 HB3 SER 76 2HB SER 76 23.356 -5.969 -2.921 546 HG SER 76 HG SER 76 23.171 -6.639 -5.443 547 H GLY 77 H GLY 77 23.643 -10.061 -3.197 548 HA2 GLY 77 1HA GLY 77 26.181 -9.642 -2.187 549 HA3 GLY 77 2HA GLY 77 25.230 -10.244 -0.837 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.680 -7.961 -15.509 2 HA2 GLY 1 1HA GLY 1 3.611 -5.764 -16.543 3 HA3 GLY 1 2HA GLY 1 4.147 -6.197 -14.926 4 H SER 2 H SER 2 6.122 -5.129 -15.179 5 HA SER 2 HA SER 2 7.890 -5.491 -17.327 6 HB2 SER 2 1HB SER 2 8.318 -4.646 -14.463 7 HB3 SER 2 2HB SER 2 9.645 -4.732 -15.622 8 HG SER 2 HG SER 2 8.195 -3.342 -16.965 9 H SER 3 H SER 3 8.783 -7.329 -17.966 10 HA SER 3 HA SER 3 8.807 -9.764 -16.845 11 HB2 SER 3 1HB SER 3 9.696 -9.508 -19.047 12 HB3 SER 3 2HB SER 3 11.004 -8.474 -18.470 13 HG SER 3 HG SER 3 11.714 -10.614 -18.848 14 H GLY 4 H GLY 4 11.351 -7.332 -16.292 15 HA2 GLY 4 1HA GLY 4 11.908 -8.637 -13.717 16 HA3 GLY 4 2HA GLY 4 13.237 -8.328 -14.824 17 H SER 5 H SER 5 10.781 -6.832 -12.804 18 HA SER 5 HA SER 5 12.387 -4.361 -12.816 19 HB2 SER 5 1HB SER 5 10.288 -3.892 -13.905 20 HB3 SER 5 2HB SER 5 9.385 -4.673 -12.607 21 HG SER 5 HG SER 5 9.328 -2.763 -11.749 22 H SER 6 H SER 6 12.884 -3.441 -10.877 23 HA SER 6 HA SER 6 13.021 -5.030 -8.597 24 HB2 SER 6 1HB SER 6 13.135 -2.015 -8.837 25 HB3 SER 6 2HB SER 6 13.596 -2.921 -7.396 26 HG SER 6 HG SER 6 15.048 -4.080 -8.970 27 H GLY 7 H GLY 7 11.914 -4.987 -6.609 28 HA2 GLY 7 1HA GLY 7 9.111 -4.130 -6.872 29 HA3 GLY 7 2HA GLY 7 9.694 -5.390 -5.794 30 H GLN 8 H GLN 8 8.615 -2.262 -5.945 31 HA GLN 8 HA GLN 8 10.203 -1.240 -3.742 32 HB2 GLN 8 1HB GLN 8 7.981 -0.105 -5.423 33 HB3 GLN 8 2HB GLN 8 8.541 0.715 -3.971 34 HG2 GLN 8 1HG GLN 8 10.701 1.037 -4.874 35 HG3 GLN 8 2HG GLN 8 10.378 -0.060 -6.216 36 HE21 GLN 8 1HE2 GLN 8 10.939 1.545 -7.705 37 HE22 GLN 8 2HE2 GLN 8 9.881 2.863 -8.061 38 H TYR 9 H TYR 9 9.761 -2.181 -1.837 39 HA TYR 9 HA TYR 9 6.948 -2.558 -1.076 40 HB2 TYR 9 1HB TYR 9 9.296 -3.668 0.440 41 HB3 TYR 9 2HB TYR 9 7.632 -4.242 0.411 42 HD1 TYR 9 2HD TYR 9 6.779 -5.187 -1.850 43 HD2 TYR 9 1HD TYR 9 10.896 -4.696 -0.898 44 HE1 TYR 9 2HE TYR 9 7.370 -6.825 -3.587 45 HE2 TYR 9 1HE TYR 9 11.499 -6.332 -2.633 46 HH TYR 9 HH TYR 9 10.526 -7.247 -4.717 47 H PHE 10 H PHE 10 6.152 -1.761 0.866 48 HA PHE 10 HA PHE 10 7.899 0.027 2.400 49 HB2 PHE 10 1HB PHE 10 5.293 0.742 1.079 50 HB3 PHE 10 2HB PHE 10 5.853 1.608 2.506 51 HD1 PHE 10 1HD PHE 10 7.032 0.550 -0.866 52 HD2 PHE 10 2HD PHE 10 7.182 3.467 2.230 53 HE1 PHE 10 1HE PHE 10 8.423 1.991 -2.296 54 HE2 PHE 10 2HE PHE 10 8.572 4.913 0.806 55 HZ PHE 10 HZ PHE 10 9.194 4.176 -1.461 56 H VAL 11 H VAL 11 6.939 0.654 4.503 57 HA VAL 11 HA VAL 11 5.084 -1.401 5.515 58 HB VAL 11 HB VAL 11 7.443 -1.790 6.248 59 HG11 VAL 11 1HG1 VAL 11 7.491 0.941 6.615 60 HG12 VAL 11 2HG1 VAL 11 7.408 0.310 8.260 61 HG13 VAL 11 3HG1 VAL 11 8.706 -0.203 7.182 62 HG21 VAL 11 1HG2 VAL 11 5.644 -1.053 8.548 63 HG22 VAL 11 2HG2 VAL 11 5.397 -2.483 7.545 64 HG23 VAL 11 3HG2 VAL 11 6.874 -2.316 8.494 65 H ALA 12 H ALA 12 3.487 -0.734 6.871 66 HA ALA 12 HA ALA 12 2.979 2.106 6.997 67 HB1 ALA 12 1HB ALA 12 1.420 -0.339 7.752 68 HB2 ALA 12 2HB ALA 12 0.888 1.269 8.248 69 HB3 ALA 12 3HB ALA 12 1.055 0.884 6.535 70 H LEU 13 H LEU 13 3.489 3.403 8.630 71 HA LEU 13 HA LEU 13 4.626 2.287 11.050 72 HB2 LEU 13 1HB LEU 13 4.224 5.172 10.280 73 HB3 LEU 13 2HB LEU 13 5.225 4.567 11.598 74 HG LEU 13 HG LEU 13 5.843 3.709 8.809 75 HD11 LEU 13 1HD1 LEU 13 5.766 5.952 8.302 76 HD12 LEU 13 2HD1 LEU 13 7.431 5.775 8.855 77 HD13 LEU 13 3HD1 LEU 13 6.211 6.448 9.935 78 HD21 LEU 13 1HD2 LEU 13 6.945 3.069 11.154 79 HD22 LEU 13 2HD2 LEU 13 7.876 4.525 10.800 80 HD23 LEU 13 3HD2 LEU 13 7.877 3.179 9.660 81 H PHE 14 H PHE 14 1.664 3.738 9.998 82 HA PHE 14 HA PHE 14 0.556 3.350 12.677 83 HB2 PHE 14 1HB PHE 14 -0.161 5.826 11.130 84 HB3 PHE 14 2HB PHE 14 -0.393 5.489 12.843 85 HD1 PHE 14 1HD PHE 14 1.491 5.628 14.403 86 HD2 PHE 14 2HD PHE 14 1.902 6.690 10.301 87 HE1 PHE 14 1HE PHE 14 3.590 6.803 14.920 88 HE2 PHE 14 2HE PHE 14 4.002 7.865 10.812 89 HZ PHE 14 HZ PHE 14 4.849 7.922 13.124 90 H ASP 15 H ASP 15 -1.858 3.434 12.654 91 HA ASP 15 HA ASP 15 -2.832 1.863 10.446 92 HB2 ASP 15 1HB ASP 15 -4.312 2.930 12.861 93 HB3 ASP 15 2HB ASP 15 -4.901 1.701 11.745 94 H TYR 16 H TYR 16 -4.475 2.399 9.009 95 HA TYR 16 HA TYR 16 -5.522 5.115 9.014 96 HB2 TYR 16 1HB TYR 16 -3.552 5.489 7.734 97 HB3 TYR 16 2HB TYR 16 -3.773 3.999 6.824 98 HD1 TYR 16 2HD TYR 16 -5.263 7.356 7.397 99 HD2 TYR 16 1HD TYR 16 -4.934 4.011 4.789 100 HE1 TYR 16 2HE TYR 16 -6.456 8.609 5.649 101 HE2 TYR 16 1HE TYR 16 -6.125 5.254 3.033 102 HH TYR 16 HH TYR 16 -7.937 7.399 3.205 103 H GLN 17 H GLN 17 -7.500 5.292 8.062 104 HA GLN 17 HA GLN 17 -8.636 2.807 6.967 105 HB2 GLN 17 1HB GLN 17 -9.629 3.690 9.091 106 HB3 GLN 17 2HB GLN 17 -10.129 5.123 8.204 107 HG2 GLN 17 1HG GLN 17 -11.295 3.417 6.630 108 HG3 GLN 17 2HG GLN 17 -11.144 2.327 8.007 109 HE21 GLN 17 1HE2 GLN 17 -12.373 2.667 9.820 110 HE22 GLN 17 2HE2 GLN 17 -13.667 3.809 9.881 111 H ALA 18 H ALA 18 -9.118 2.785 4.880 112 HA ALA 18 HA ALA 18 -8.737 4.976 3.171 113 HB1 ALA 18 1HB ALA 18 -10.550 2.834 2.249 114 HB2 ALA 18 2HB ALA 18 -9.116 3.519 1.484 115 HB3 ALA 18 3HB ALA 18 -8.943 2.333 2.777 116 H ARG 19 H ARG 19 -9.916 6.785 3.391 117 HA ARG 19 HA ARG 19 -12.383 7.199 4.411 118 HB2 ARG 19 1HB ARG 19 -12.582 9.096 2.682 119 HB3 ARG 19 2HB ARG 19 -11.208 9.120 3.779 120 HG2 ARG 19 1HG ARG 19 -9.762 8.247 2.060 121 HG3 ARG 19 2HG ARG 19 -11.131 8.067 0.961 122 HD2 ARG 19 1HD ARG 19 -9.950 10.064 0.369 123 HD3 ARG 19 2HD ARG 19 -11.485 10.526 1.103 124 HE ARG 19 HE ARG 19 -9.465 10.445 3.070 125 HH11 ARG 19 2HH1 ARG 19 -10.536 12.334 0.349 126 HH12 ARG 19 1HH1 ARG 19 -9.879 13.818 0.954 127 HH21 ARG 19 2HH2 ARG 19 -8.595 12.393 3.878 128 HH22 ARG 19 1HH2 ARG 19 -8.774 13.851 2.961 129 H THR 20 H THR 20 -11.693 6.247 1.064 130 HA THR 20 HA THR 20 -14.443 5.250 0.854 131 HB THR 20 HB THR 20 -14.960 6.335 -1.103 132 HG1 THR 20 1HG THR 20 -12.162 6.423 -1.516 133 HG21 THR 20 1HG2 THR 20 -14.302 8.694 -0.940 134 HG22 THR 20 2HG2 THR 20 -13.029 8.258 0.200 135 HG23 THR 20 3HG2 THR 20 -14.722 8.033 0.639 136 H ALA 21 H ALA 21 -14.544 4.134 -1.515 137 HA ALA 21 HA ALA 21 -12.934 1.838 -1.313 138 HB1 ALA 21 1HB ALA 21 -14.969 2.858 -3.167 139 HB2 ALA 21 2HB ALA 21 -13.810 1.735 -3.879 140 HB3 ALA 21 3HB ALA 21 -14.763 1.248 -2.477 141 H GLU 22 H GLU 22 -12.635 4.762 -3.255 142 HA GLU 22 HA GLU 22 -10.693 3.995 -5.063 143 HB2 GLU 22 1HB GLU 22 -11.319 6.606 -3.730 144 HB3 GLU 22 2HB GLU 22 -9.921 6.475 -4.788 145 HG2 GLU 22 1HG GLU 22 -12.783 5.923 -5.536 146 HG3 GLU 22 2HG GLU 22 -11.829 7.330 -5.999 147 H ASP 23 H ASP 23 -10.296 5.093 -1.724 148 HA ASP 23 HA ASP 23 -7.417 4.834 -1.852 149 HB2 ASP 23 1HB ASP 23 -9.392 5.763 0.180 150 HB3 ASP 23 2HB ASP 23 -7.817 5.214 0.748 151 H LEU 24 H LEU 24 -6.409 3.635 0.134 152 HA LEU 24 HA LEU 24 -7.695 0.993 0.348 153 HB2 LEU 24 1HB LEU 24 -5.650 1.120 -1.124 154 HB3 LEU 24 2HB LEU 24 -4.728 1.494 0.330 155 HG LEU 24 HG LEU 24 -5.687 -0.742 1.221 156 HD11 LEU 24 1HD1 LEU 24 -6.452 -0.794 -1.638 157 HD12 LEU 24 2HD1 LEU 24 -7.229 -1.535 -0.240 158 HD13 LEU 24 3HD1 LEU 24 -5.795 -2.279 -0.948 159 HD21 LEU 24 1HD2 LEU 24 -3.573 -1.351 0.944 160 HD22 LEU 24 2HD2 LEU 24 -3.357 -0.024 -0.197 161 HD23 LEU 24 3HD2 LEU 24 -3.846 -1.616 -0.778 162 H SER 25 H SER 25 -7.346 -0.174 2.294 163 HA SER 25 HA SER 25 -6.690 1.566 4.575 164 HB2 SER 25 1HB SER 25 -8.125 0.082 5.920 165 HB3 SER 25 2HB SER 25 -9.011 0.764 4.556 166 HG SER 25 HG SER 25 -9.376 -1.489 4.798 167 H PHE 26 H PHE 26 -5.433 0.764 6.280 168 HA PHE 26 HA PHE 26 -4.276 -1.867 6.152 169 HB2 PHE 26 1HB PHE 26 -1.929 -1.052 5.995 170 HB3 PHE 26 2HB PHE 26 -2.854 -0.785 4.521 171 HD1 PHE 26 2HD PHE 26 -1.531 0.867 7.551 172 HD2 PHE 26 1HD PHE 26 -3.155 1.376 3.649 173 HE1 PHE 26 2HE PHE 26 -0.938 3.254 7.619 174 HE2 PHE 26 1HE PHE 26 -2.564 3.763 3.711 175 HZ PHE 26 HZ PHE 26 -1.455 4.706 5.698 176 H ARG 27 H ARG 27 -2.601 -2.141 7.927 177 HA ARG 27 HA ARG 27 -3.293 -0.427 10.222 178 HB2 ARG 27 1HB ARG 27 -2.734 -3.399 10.261 179 HB3 ARG 27 2HB ARG 27 -3.102 -2.401 11.662 180 HG2 ARG 27 1HG ARG 27 -4.933 -3.063 9.368 181 HG3 ARG 27 2HG ARG 27 -5.067 -3.609 11.041 182 HD2 ARG 27 1HD ARG 27 -5.184 -1.095 11.612 183 HD3 ARG 27 2HD ARG 27 -5.549 -0.880 9.900 184 HE ARG 27 HE ARG 27 -7.299 -2.799 10.727 185 HH11 ARG 27 2HH1 ARG 27 -6.533 0.434 11.765 186 HH12 ARG 27 1HH1 ARG 27 -8.133 0.769 12.339 187 HH21 ARG 27 2HH2 ARG 27 -9.410 -2.370 11.478 188 HH22 ARG 27 1HH2 ARG 27 -9.768 -0.827 12.176 189 H ALA 28 H ALA 28 -1.660 -0.225 11.871 190 HA ALA 28 HA ALA 28 0.862 0.418 10.927 191 HB1 ALA 28 1HB ALA 28 -0.132 -0.200 13.692 192 HB2 ALA 28 2HB ALA 28 1.538 0.278 13.382 193 HB3 ALA 28 3HB ALA 28 0.216 1.371 12.970 194 H GLY 29 H GLY 29 2.189 -0.967 9.925 195 HA2 GLY 29 1HA GLY 29 3.942 -2.590 10.234 196 HA3 GLY 29 2HA GLY 29 2.896 -3.442 11.360 197 H ASP 30 H ASP 30 1.487 -2.259 8.448 198 HA ASP 30 HA ASP 30 1.086 -5.005 7.550 199 HB2 ASP 30 1HB ASP 30 -0.707 -3.066 7.730 200 HB3 ASP 30 2HB ASP 30 -0.099 -2.661 6.127 201 H LYS 31 H LYS 31 1.804 -5.819 5.632 202 HA LYS 31 HA LYS 31 3.979 -4.381 4.361 203 HB2 LYS 31 1HB LYS 31 2.903 -7.159 3.835 204 HB3 LYS 31 2HB LYS 31 4.385 -6.488 3.165 205 HG2 LYS 31 1HG LYS 31 4.004 -6.636 6.125 206 HG3 LYS 31 2HG LYS 31 4.509 -8.060 5.212 207 HD2 LYS 31 1HD LYS 31 6.473 -6.956 4.430 208 HD3 LYS 31 2HD LYS 31 5.918 -5.401 5.055 209 HE2 LYS 31 1HE LYS 31 6.320 -7.729 6.895 210 HE3 LYS 31 2HE LYS 31 7.691 -6.746 6.384 211 HZ1 LYS 31 1HZ LYS 31 5.594 -6.134 8.254 212 HZ2 LYS 31 2HZ LYS 31 5.871 -4.897 7.135 213 HZ3 LYS 31 3HZ LYS 31 7.139 -5.460 8.103 214 H LEU 32 H LEU 32 3.702 -3.140 2.639 215 HA LEU 32 HA LEU 32 1.642 -3.859 0.677 216 HB2 LEU 32 1HB LEU 32 2.131 -1.039 1.611 217 HB3 LEU 32 2HB LEU 32 0.904 -1.587 0.472 218 HG LEU 32 HG LEU 32 0.911 -2.509 3.330 219 HD11 LEU 32 1HD1 LEU 32 -0.878 -0.677 3.580 220 HD12 LEU 32 2HD1 LEU 32 -0.094 0.072 2.190 221 HD13 LEU 32 3HD1 LEU 32 0.821 -0.211 3.671 222 HD21 LEU 32 1HD2 LEU 32 -0.465 -3.569 1.424 223 HD22 LEU 32 2HD2 LEU 32 -1.442 -2.103 1.520 224 HD23 LEU 32 3HD2 LEU 32 -1.285 -3.153 2.929 225 H GLN 33 H GLN 33 2.200 -3.535 -1.428 226 HA GLN 33 HA GLN 33 4.944 -2.603 -1.906 227 HB2 GLN 33 1HB GLN 33 4.558 -4.877 -2.630 228 HB3 GLN 33 2HB GLN 33 3.139 -4.387 -3.546 229 HG2 GLN 33 1HG GLN 33 4.538 -3.093 -5.055 230 HG3 GLN 33 2HG GLN 33 5.968 -3.535 -4.123 231 HE21 GLN 33 1HE2 GLN 33 6.007 -4.067 -6.735 232 HE22 GLN 33 2HE2 GLN 33 5.833 -5.760 -7.031 233 H VAL 34 H VAL 34 5.221 -0.683 -2.808 234 HA VAL 34 HA VAL 34 2.996 0.807 -3.851 235 HB VAL 34 HB VAL 34 5.938 1.474 -3.715 236 HG11 VAL 34 1HG1 VAL 34 3.775 2.756 -5.140 237 HG12 VAL 34 2HG1 VAL 34 4.479 3.832 -3.931 238 HG13 VAL 34 3HG1 VAL 34 5.504 3.103 -5.168 239 HG21 VAL 34 1HG2 VAL 34 5.197 1.460 -1.523 240 HG22 VAL 34 2HG2 VAL 34 4.944 3.142 -1.988 241 HG23 VAL 34 3HG2 VAL 34 3.582 2.022 -1.955 242 H LEU 35 H LEU 35 2.289 0.738 -5.871 243 HA LEU 35 HA LEU 35 3.993 -0.399 -7.953 244 HB2 LEU 35 1HB LEU 35 1.123 0.413 -8.273 245 HB3 LEU 35 2HB LEU 35 2.043 -0.766 -9.206 246 HG LEU 35 HG LEU 35 1.554 -1.292 -6.312 247 HD11 LEU 35 1HD1 LEU 35 -0.606 -0.549 -7.505 248 HD12 LEU 35 2HD1 LEU 35 -0.614 -2.066 -6.607 249 HD13 LEU 35 3HD1 LEU 35 -0.476 -2.083 -8.365 250 HD21 LEU 35 1HD2 LEU 35 1.556 -3.128 -8.699 251 HD22 LEU 35 2HD2 LEU 35 1.669 -3.569 -6.995 252 HD23 LEU 35 3HD2 LEU 35 3.003 -2.721 -7.778 253 H ASP 36 H ASP 36 1.883 2.435 -7.494 254 HA ASP 36 HA ASP 36 3.448 3.825 -9.566 255 HB2 ASP 36 1HB ASP 36 0.836 3.440 -9.711 256 HB3 ASP 36 2HB ASP 36 0.793 4.844 -8.648 257 H THR 37 H THR 37 4.374 5.775 -9.130 258 HA THR 37 HA THR 37 3.965 6.916 -6.451 259 HB THR 37 HB THR 37 6.371 7.368 -6.251 260 HG1 THR 37 1HG THR 37 6.576 7.108 -8.711 261 HG21 THR 37 1HG2 THR 37 5.717 4.459 -6.737 262 HG22 THR 37 2HG2 THR 37 5.497 5.341 -5.226 263 HG23 THR 37 3HG2 THR 37 7.120 5.053 -5.852 264 H SER 38 H SER 38 2.595 8.037 -8.382 265 HA SER 38 HA SER 38 4.115 10.096 -9.737 266 HB2 SER 38 1HB SER 38 1.265 9.191 -9.750 267 HB3 SER 38 2HB SER 38 1.635 10.822 -10.311 268 HG SER 38 HG SER 38 1.667 9.083 -11.934 269 H HIS 39 H HIS 39 1.905 9.820 -7.015 270 HA HIS 39 HA HIS 39 2.265 12.686 -6.458 271 HB2 HIS 39 1HB HIS 39 -0.076 11.464 -6.650 272 HB3 HIS 39 2HB HIS 39 0.271 11.023 -4.980 273 HD1 HIS 39 1HD HIS 39 -0.578 13.941 -7.146 274 HD2 HIS 39 2HD HIS 39 0.189 13.141 -3.142 275 HE1 HIS 39 1HE HIS 39 -1.288 16.007 -5.900 276 HE2 HIS 39 2HE HIS 39 -0.735 15.532 -3.489 277 H GLU 40 H GLU 40 4.060 12.888 -5.247 278 HA GLU 40 HA GLU 40 5.284 11.127 -3.582 279 HB2 GLU 40 1HB GLU 40 6.194 13.341 -4.140 280 HB3 GLU 40 2HB GLU 40 4.998 14.098 -3.097 281 HG2 GLU 40 1HG GLU 40 6.845 14.075 -1.743 282 HG3 GLU 40 2HG GLU 40 6.033 12.589 -1.255 283 H GLY 41 H GLY 41 2.302 12.784 -3.012 284 HA2 GLY 41 1HA GLY 41 2.306 12.181 -0.162 285 HA3 GLY 41 2HA GLY 41 1.049 13.034 -1.046 286 H TRP 42 H TRP 42 0.535 11.185 -3.069 287 HA TRP 42 HA TRP 42 -0.541 8.920 -1.519 288 HB2 TRP 42 1HB TRP 42 -1.746 10.320 -3.916 289 HB3 TRP 42 2HB TRP 42 -2.413 8.882 -3.148 290 HD1 TRP 42 HD TRP 42 -2.189 12.643 -2.764 291 HE1 TRP 42 1HE TRP 42 -3.683 13.383 -0.803 292 HE3 TRP 42 3HE TRP 42 -3.318 8.049 -0.825 293 HZ2 TRP 42 2HZ TRP 42 -5.146 12.179 1.289 294 HZ3 TRP 42 3HZ TRP 42 -4.771 7.930 1.158 295 HH2 TRP 42 HH TRP 42 -5.664 9.953 2.192 296 H TRP 43 H TRP 43 -0.191 6.895 -2.250 297 HA TRP 43 HA TRP 43 1.047 6.582 -4.901 298 HB2 TRP 43 1HB TRP 43 1.940 5.393 -2.276 299 HB3 TRP 43 2HB TRP 43 2.424 4.718 -3.830 300 HD1 TRP 43 HD TRP 43 2.631 7.897 -5.019 301 HE1 TRP 43 1HE TRP 43 4.842 9.116 -4.521 302 HE3 TRP 43 3HE TRP 43 4.308 4.995 -1.158 303 HZ2 TRP 43 2HZ TRP 43 7.011 8.879 -2.730 304 HZ3 TRP 43 3HZ TRP 43 6.460 5.558 -0.108 305 HH2 TRP 43 HH TRP 43 7.782 7.460 -0.879 306 H LEU 44 H LEU 44 0.639 4.619 -5.971 307 HA LEU 44 HA LEU 44 -1.795 3.282 -5.055 308 HB2 LEU 44 1HB LEU 44 -1.864 4.157 -7.296 309 HB3 LEU 44 2HB LEU 44 -0.383 3.300 -7.716 310 HG LEU 44 HG LEU 44 -1.723 1.160 -7.247 311 HD11 LEU 44 1HD1 LEU 44 -4.115 1.320 -7.489 312 HD12 LEU 44 2HD1 LEU 44 -4.016 3.073 -7.652 313 HD13 LEU 44 3HD1 LEU 44 -3.598 2.306 -6.121 314 HD21 LEU 44 1HD2 LEU 44 -2.651 2.781 -9.603 315 HD22 LEU 44 2HD2 LEU 44 -2.414 1.037 -9.498 316 HD23 LEU 44 3HD2 LEU 44 -1.020 2.119 -9.486 317 H ALA 45 H ALA 45 -1.278 1.684 -3.667 318 HA ALA 45 HA ALA 45 0.760 -0.263 -4.530 319 HB1 ALA 45 1HB ALA 45 -0.120 0.445 -1.734 320 HB2 ALA 45 2HB ALA 45 1.018 -0.839 -2.144 321 HB3 ALA 45 3HB ALA 45 1.425 0.842 -2.488 322 H ARG 46 H ARG 46 0.306 -2.461 -3.281 323 HA ARG 46 HA ARG 46 -2.547 -3.095 -3.305 324 HB2 ARG 46 1HB ARG 46 -2.226 -5.027 -4.759 325 HB3 ARG 46 2HB ARG 46 -1.759 -3.547 -5.586 326 HG2 ARG 46 1HG ARG 46 0.602 -4.045 -5.092 327 HG3 ARG 46 2HG ARG 46 0.100 -5.561 -4.342 328 HD2 ARG 46 1HD ARG 46 -0.797 -4.971 -7.119 329 HD3 ARG 46 2HD ARG 46 0.875 -5.466 -6.859 330 HE ARG 46 HE ARG 46 -1.431 -7.128 -6.754 331 HH11 ARG 46 2HH1 ARG 46 1.722 -6.649 -5.359 332 HH12 ARG 46 1HH1 ARG 46 1.929 -8.315 -4.929 333 HH21 ARG 46 2HH2 ARG 46 -1.171 -9.324 -6.194 334 HH22 ARG 46 1HH2 ARG 46 0.283 -9.836 -5.406 335 H HIS 47 H HIS 47 -3.109 -4.525 -1.769 336 HA HIS 47 HA HIS 47 -1.428 -5.198 0.317 337 HB2 HIS 47 1HB HIS 47 -4.082 -6.163 -0.618 338 HB3 HIS 47 2HB HIS 47 -3.242 -7.146 0.578 339 HD1 HIS 47 1HD HIS 47 -2.505 -5.751 2.813 340 HD2 HIS 47 2HD HIS 47 -5.485 -4.096 0.438 341 HE1 HIS 47 1HE HIS 47 -3.670 -4.067 4.273 342 HE2 HIS 47 2HE HIS 47 -5.523 -3.140 2.841 343 H LEU 48 H LEU 48 -0.026 -6.805 0.747 344 HA LEU 48 HA LEU 48 0.593 -8.656 -1.425 345 HB2 LEU 48 1HB LEU 48 2.072 -7.947 1.103 346 HB3 LEU 48 2HB LEU 48 2.629 -9.140 -0.068 347 HG LEU 48 HG LEU 48 2.150 -6.266 -0.812 348 HD11 LEU 48 1HD1 LEU 48 4.483 -5.822 -0.457 349 HD12 LEU 48 2HD1 LEU 48 4.764 -7.484 0.061 350 HD13 LEU 48 3HD1 LEU 48 3.779 -6.407 1.051 351 HD21 LEU 48 1HD2 LEU 48 2.316 -8.099 -2.552 352 HD22 LEU 48 2HD2 LEU 48 3.996 -8.293 -2.049 353 HD23 LEU 48 3HD2 LEU 48 3.448 -6.757 -2.720 354 H GLU 49 H GLU 49 -0.264 -8.669 2.006 355 HA GLU 49 HA GLU 49 -0.035 -11.370 2.555 356 HB2 GLU 49 1HB GLU 49 -1.785 -9.190 3.611 357 HB3 GLU 49 2HB GLU 49 -2.106 -10.847 4.104 358 HG2 GLU 49 1HG GLU 49 -0.706 -10.208 5.773 359 HG3 GLU 49 2HG GLU 49 0.472 -10.838 4.624 360 H LYS 50 H LYS 50 -0.731 -12.874 1.150 361 HA LYS 50 HA LYS 50 -3.288 -12.627 -0.179 362 HB2 LYS 50 1HB LYS 50 -2.684 -14.647 -1.345 363 HB3 LYS 50 2HB LYS 50 -1.288 -13.577 -1.315 364 HG2 LYS 50 1HG LYS 50 -0.639 -14.946 0.806 365 HG3 LYS 50 2HG LYS 50 -1.737 -16.148 0.124 366 HD2 LYS 50 1HD LYS 50 -0.384 -16.564 -1.672 367 HD3 LYS 50 2HD LYS 50 0.291 -14.933 -1.678 368 HE2 LYS 50 1HE LYS 50 1.412 -15.608 0.531 369 HE3 LYS 50 2HE LYS 50 1.008 -17.262 0.076 370 HZ1 LYS 50 1HZ LYS 50 3.243 -16.666 -0.622 371 HZ2 LYS 50 2HZ LYS 50 2.641 -15.379 -1.540 372 HZ3 LYS 50 3HZ LYS 50 2.262 -16.972 -1.966 373 H LYS 51 H LYS 51 -5.131 -13.226 0.729 374 HA LYS 51 HA LYS 51 -5.404 -15.739 2.077 375 HB2 LYS 51 1HB LYS 51 -4.498 -14.392 3.916 376 HB3 LYS 51 2HB LYS 51 -5.769 -13.199 3.679 377 HG2 LYS 51 1HG LYS 51 -6.446 -14.487 5.516 378 HG3 LYS 51 2HG LYS 51 -7.416 -15.063 4.159 379 HD2 LYS 51 1HD LYS 51 -6.103 -17.019 3.929 380 HD3 LYS 51 2HD LYS 51 -4.845 -16.386 4.993 381 HE2 LYS 51 1HE LYS 51 -6.818 -16.307 6.731 382 HE3 LYS 51 2HE LYS 51 -7.515 -17.527 5.667 383 HZ1 LYS 51 1HZ LYS 51 -5.233 -18.651 5.905 384 HZ2 LYS 51 2HZ LYS 51 -6.327 -18.768 7.189 385 HZ3 LYS 51 3HZ LYS 51 -5.046 -17.667 7.269 386 H GLY 52 H GLY 52 -7.533 -16.419 2.198 387 HA2 GLY 52 1HA GLY 52 -9.531 -14.532 1.112 388 HA3 GLY 52 2HA GLY 52 -9.451 -16.212 0.604 389 H THR 53 H THR 53 -9.964 -14.150 3.441 390 HA THR 53 HA THR 53 -11.804 -16.206 4.477 391 HB THR 53 HB THR 53 -9.864 -16.230 5.905 392 HG1 THR 53 1HG THR 53 -12.134 -16.082 6.810 393 HG21 THR 53 1HG2 THR 53 -9.856 -13.407 5.387 394 HG22 THR 53 2HG2 THR 53 -8.600 -14.408 6.117 395 HG23 THR 53 3HG2 THR 53 -9.858 -13.694 7.127 396 H GLY 54 H GLY 54 -13.787 -15.527 5.093 397 HA2 GLY 54 1HA GLY 54 -15.563 -14.125 5.494 398 HA3 GLY 54 2HA GLY 54 -14.394 -12.885 5.923 399 H LEU 55 H LEU 55 -14.048 -11.234 4.548 400 HA LEU 55 HA LEU 55 -14.728 -11.459 1.745 401 HB2 LEU 55 1HB LEU 55 -16.503 -10.024 1.658 402 HB3 LEU 55 2HB LEU 55 -16.811 -10.829 3.195 403 HG LEU 55 HG LEU 55 -15.483 -8.767 4.160 404 HD11 LEU 55 1HD1 LEU 55 -16.807 -7.219 2.046 405 HD12 LEU 55 2HD1 LEU 55 -15.353 -8.082 1.545 406 HD13 LEU 55 3HD1 LEU 55 -15.280 -6.934 2.881 407 HD21 LEU 55 1HD2 LEU 55 -18.225 -9.422 3.755 408 HD22 LEU 55 2HD2 LEU 55 -18.029 -7.677 3.585 409 HD23 LEU 55 3HD2 LEU 55 -17.491 -8.487 5.058 410 H GLY 56 H GLY 56 -13.862 -9.787 0.467 411 HA2 GLY 56 1HA GLY 56 -11.790 -8.227 1.859 412 HA3 GLY 56 2HA GLY 56 -11.747 -8.690 0.164 413 H GLN 57 H GLN 57 -11.574 -6.044 1.607 414 HA GLN 57 HA GLN 57 -13.915 -4.662 0.543 415 HB2 GLN 57 1HB GLN 57 -11.655 -3.821 2.345 416 HB3 GLN 57 2HB GLN 57 -12.766 -2.651 1.646 417 HG2 GLN 57 1HG GLN 57 -13.845 -4.992 3.142 418 HG3 GLN 57 2HG GLN 57 -13.188 -3.615 4.024 419 HE21 GLN 57 1HE2 GLN 57 -15.748 -4.174 4.442 420 HE22 GLN 57 2HE2 GLN 57 -16.781 -3.033 3.659 421 H GLN 58 H GLN 58 -10.368 -4.310 0.396 422 HA GLN 58 HA GLN 58 -10.422 -3.842 -2.425 423 HB2 GLN 58 1HB GLN 58 -11.089 -1.620 -1.159 424 HB3 GLN 58 2HB GLN 58 -9.352 -1.502 -0.909 425 HG2 GLN 58 1HG GLN 58 -9.589 -0.321 -2.846 426 HG3 GLN 58 2HG GLN 58 -9.249 -1.929 -3.482 427 HE21 GLN 58 1HE2 GLN 58 -10.359 -2.046 -5.313 428 HE22 GLN 58 2HE2 GLN 58 -12.047 -1.723 -5.486 429 H LEU 59 H LEU 59 -8.465 -4.234 -3.336 430 HA LEU 59 HA LEU 59 -6.288 -4.916 -1.493 431 HB2 LEU 59 1HB LEU 59 -5.372 -6.227 -3.325 432 HB3 LEU 59 2HB LEU 59 -7.034 -6.693 -2.972 433 HG LEU 59 HG LEU 59 -6.440 -4.775 -5.194 434 HD11 LEU 59 1HD1 LEU 59 -6.760 -7.530 -6.045 435 HD12 LEU 59 2HD1 LEU 59 -5.289 -7.282 -5.106 436 HD13 LEU 59 3HD1 LEU 59 -5.585 -6.317 -6.552 437 HD21 LEU 59 1HD2 LEU 59 -8.670 -4.856 -5.229 438 HD22 LEU 59 2HD2 LEU 59 -8.722 -6.266 -4.170 439 HD23 LEU 59 3HD2 LEU 59 -8.482 -6.474 -5.906 440 H GLN 60 H GLN 60 -6.982 -3.085 -4.437 441 HA GLN 60 HA GLN 60 -4.376 -1.745 -4.141 442 HB2 GLN 60 1HB GLN 60 -5.976 -2.544 -6.516 443 HB3 GLN 60 2HB GLN 60 -5.071 -1.039 -6.623 444 HG2 GLN 60 1HG GLN 60 -3.011 -2.144 -6.277 445 HG3 GLN 60 2HG GLN 60 -3.815 -3.639 -5.801 446 HE21 GLN 60 1HE2 GLN 60 -3.534 -1.395 -8.525 447 HE22 GLN 60 2HE2 GLN 60 -3.609 -2.605 -9.756 448 H GLY 61 H GLY 61 -4.305 0.414 -3.846 449 HA2 GLY 61 1HA GLY 61 -6.364 2.208 -4.615 450 HA3 GLY 61 2HA GLY 61 -6.510 1.822 -2.907 451 H TYR 62 H TYR 62 -6.146 4.348 -3.247 452 HA TYR 62 HA TYR 62 -3.328 5.034 -3.376 453 HB2 TYR 62 1HB TYR 62 -5.791 6.737 -2.952 454 HB3 TYR 62 2HB TYR 62 -4.152 7.369 -3.071 455 HD1 TYR 62 2HD TYR 62 -2.855 6.834 -5.242 456 HD2 TYR 62 1HD TYR 62 -7.078 6.462 -4.874 457 HE1 TYR 62 2HE TYR 62 -3.072 6.946 -7.689 458 HE2 TYR 62 1HE TYR 62 -7.307 6.573 -7.321 459 HH TYR 62 HH TYR 62 -5.128 7.718 -9.321 460 H ILE 63 H ILE 63 -2.034 5.328 -1.678 461 HA ILE 63 HA ILE 63 -3.242 5.687 0.979 462 HB ILE 63 HB ILE 63 -1.557 4.194 1.963 463 HG12 ILE 63 1HG1 ILE 63 -0.901 3.345 -0.860 464 HG13 ILE 63 2HG1 ILE 63 0.079 4.491 0.048 465 HG21 ILE 63 1HG2 ILE 63 -2.460 2.044 0.708 466 HG22 ILE 63 2HG2 ILE 63 -3.496 3.019 1.749 467 HG23 ILE 63 3HG2 ILE 63 -3.560 3.226 -0.001 468 HD11 ILE 63 1HD1 ILE 63 0.274 1.706 0.034 469 HD12 ILE 63 2HD1 ILE 63 1.137 2.843 1.071 470 HD13 ILE 63 3HD1 ILE 63 -0.385 2.136 1.613 471 HA PRO 64 HA PRO 64 -0.356 8.987 1.377 472 HB2 PRO 64 1HB PRO 64 -0.279 9.169 4.084 473 HB3 PRO 64 2HB PRO 64 -1.658 9.715 3.123 474 HG2 PRO 64 1HG PRO 64 -1.295 7.156 4.633 475 HG3 PRO 64 2HG PRO 64 -2.721 8.206 4.538 476 HD2 PRO 64 1HD PRO 64 -2.487 5.932 3.086 477 HD3 PRO 64 2HD PRO 64 -3.366 7.357 2.494 478 H SER 65 H SER 65 1.745 8.738 0.960 479 HA SER 65 HA SER 65 3.329 6.584 1.774 480 HB2 SER 65 1HB SER 65 4.192 7.681 -0.077 481 HB3 SER 65 2HB SER 65 3.903 9.280 0.607 482 HG SER 65 HG SER 65 5.955 7.442 1.246 483 H ASN 66 H ASN 66 2.833 9.760 3.207 484 HA ASN 66 HA ASN 66 4.893 9.780 5.070 485 HB2 ASN 66 1HB ASN 66 2.134 10.979 5.080 486 HB3 ASN 66 2HB ASN 66 3.219 11.188 6.451 487 HD21 ASN 66 1HD2 ASN 66 5.239 12.250 6.093 488 HD22 ASN 66 2HD2 ASN 66 5.400 13.395 4.809 489 H TYR 67 H TYR 67 1.942 7.961 5.024 490 HA TYR 67 HA TYR 67 1.981 7.273 7.811 491 HB2 TYR 67 1HB TYR 67 0.382 6.405 5.431 492 HB3 TYR 67 2HB TYR 67 0.325 5.452 6.910 493 HD1 TYR 67 1HD TYR 67 0.286 9.114 6.125 494 HD2 TYR 67 2HD TYR 67 -1.574 5.861 8.142 495 HE1 TYR 67 1HE TYR 67 -1.398 10.654 7.043 496 HE2 TYR 67 2HE TYR 67 -3.263 7.392 9.064 497 HH TYR 67 HH TYR 67 -4.133 10.009 8.035 498 H VAL 68 H VAL 68 3.254 5.926 4.853 499 HA VAL 68 HA VAL 68 4.276 3.608 6.357 500 HB VAL 68 HB VAL 68 4.581 2.493 4.192 501 HG11 VAL 68 1HG1 VAL 68 1.960 2.722 3.570 502 HG12 VAL 68 2HG1 VAL 68 2.577 1.758 4.913 503 HG13 VAL 68 3HG1 VAL 68 1.967 3.387 5.203 504 HG21 VAL 68 1HG2 VAL 68 3.547 5.101 3.138 505 HG22 VAL 68 2HG2 VAL 68 4.966 4.182 2.634 506 HG23 VAL 68 3HG2 VAL 68 3.351 3.607 2.221 507 H ALA 69 H ALA 69 6.376 2.756 5.128 508 HA ALA 69 HA ALA 69 8.139 4.912 4.313 509 HB1 ALA 69 1HB ALA 69 8.158 4.799 6.853 510 HB2 ALA 69 2HB ALA 69 8.966 3.241 6.669 511 HB3 ALA 69 3HB ALA 69 9.721 4.705 6.040 512 H GLU 70 H GLU 70 10.363 4.035 3.785 513 HA GLU 70 HA GLU 70 10.043 1.707 2.140 514 HB2 GLU 70 1HB GLU 70 11.487 3.851 1.738 515 HB3 GLU 70 2HB GLU 70 12.697 2.990 2.680 516 HG2 GLU 70 1HG GLU 70 11.411 2.015 0.139 517 HG3 GLU 70 2HG GLU 70 13.039 2.673 0.297 518 H ASP 71 H ASP 71 9.866 -0.166 3.248 519 HA ASP 71 HA ASP 71 11.747 -0.742 5.409 520 HB2 ASP 71 1HB ASP 71 9.141 -1.214 5.359 521 HB3 ASP 71 2HB ASP 71 9.655 -2.690 4.546 522 H SER 72 H SER 72 13.012 -2.656 5.441 523 HA SER 72 HA SER 72 13.818 -3.517 2.758 524 HB2 SER 72 1HB SER 72 15.205 -3.404 5.414 525 HB3 SER 72 2HB SER 72 15.787 -4.515 4.175 526 HG SER 72 HG SER 72 16.410 -2.867 2.961 527 H GLY 73 H GLY 73 12.313 -5.098 2.287 528 HA2 GLY 73 1HA GLY 73 12.087 -7.348 4.166 529 HA3 GLY 73 2HA GLY 73 10.984 -7.006 2.841 530 HA PRO 74 HA PRO 74 14.602 -9.985 1.710 531 HB2 PRO 74 1HB PRO 74 13.574 -12.387 2.446 532 HB3 PRO 74 2HB PRO 74 14.602 -11.416 3.507 533 HG2 PRO 74 1HG PRO 74 11.619 -11.669 3.471 534 HG3 PRO 74 2HG PRO 74 12.723 -11.643 4.859 535 HD2 PRO 74 1HD PRO 74 11.303 -9.471 4.087 536 HD3 PRO 74 2HD PRO 74 12.913 -9.346 4.826 537 H SER 75 H SER 75 11.282 -9.588 1.233 538 HA SER 75 HA SER 75 10.697 -11.601 -0.636 539 HB2 SER 75 1HB SER 75 8.861 -10.402 0.268 540 HB3 SER 75 2HB SER 75 9.552 -8.845 -0.188 541 HG SER 75 HG SER 75 8.326 -9.077 -1.882 542 H SER 76 H SER 76 11.738 -11.969 -2.471 543 HA SER 76 HA SER 76 12.645 -9.658 -4.061 544 HB2 SER 76 1HB SER 76 14.363 -11.352 -3.020 545 HB3 SER 76 2HB SER 76 13.874 -12.375 -4.371 546 HG SER 76 HG SER 76 14.715 -10.959 -5.774 547 H GLY 77 H GLY 77 10.853 -9.448 -5.363 548 HA2 GLY 77 1HA GLY 77 10.292 -11.756 -7.123 549 HA3 GLY 77 2HA GLY 77 9.031 -10.672 -6.555 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.427 -12.034 -15.311 2 HA2 GLY 1 1HA GLY 1 4.650 -11.044 -16.973 3 HA3 GLY 1 2HA GLY 1 3.704 -10.064 -15.863 4 H SER 2 H SER 2 5.735 -12.996 -15.768 5 HA SER 2 HA SER 2 6.916 -11.957 -13.276 6 HB2 SER 2 1HB SER 2 6.306 -14.778 -14.143 7 HB3 SER 2 2HB SER 2 7.472 -14.436 -12.865 8 HG SER 2 HG SER 2 5.873 -14.083 -11.560 9 H SER 3 H SER 3 8.720 -10.947 -13.990 10 HA SER 3 HA SER 3 10.667 -12.604 -15.451 11 HB2 SER 3 1HB SER 3 10.188 -9.641 -15.856 12 HB3 SER 3 2HB SER 3 11.430 -10.602 -16.658 13 HG SER 3 HG SER 3 8.658 -11.165 -16.838 14 H GLY 4 H GLY 4 10.222 -9.757 -13.370 15 HA2 GLY 4 1HA GLY 4 12.710 -10.501 -11.985 16 HA3 GLY 4 2HA GLY 4 12.487 -8.846 -12.534 17 H SER 5 H SER 5 12.948 -9.509 -9.861 18 HA SER 5 HA SER 5 10.350 -9.312 -8.539 19 HB2 SER 5 1HB SER 5 13.140 -9.660 -7.418 20 HB3 SER 5 2HB SER 5 11.674 -9.580 -6.442 21 HG SER 5 HG SER 5 11.864 -11.442 -8.539 22 H SER 6 H SER 6 11.023 -7.090 -10.069 23 HA SER 6 HA SER 6 12.266 -5.049 -8.522 24 HB2 SER 6 1HB SER 6 11.281 -3.513 -10.247 25 HB3 SER 6 2HB SER 6 12.233 -4.834 -10.924 26 HG SER 6 HG SER 6 9.420 -4.960 -10.619 27 H GLY 7 H GLY 7 11.160 -3.057 -7.809 28 HA2 GLY 7 1HA GLY 7 8.893 -2.105 -7.315 29 HA3 GLY 7 2HA GLY 7 8.503 -3.697 -6.684 30 H GLN 8 H GLN 8 8.317 -1.235 -5.253 31 HA GLN 8 HA GLN 8 10.421 -1.619 -3.227 32 HB2 GLN 8 1HB GLN 8 8.796 0.877 -3.740 33 HB3 GLN 8 2HB GLN 8 10.105 0.703 -2.578 34 HG2 GLN 8 1HG GLN 8 11.600 0.170 -4.548 35 HG3 GLN 8 2HG GLN 8 10.275 0.717 -5.574 36 HE21 GLN 8 1HE2 GLN 8 13.094 1.690 -4.573 37 HE22 GLN 8 2HE2 GLN 8 12.825 3.379 -4.333 38 H TYR 9 H TYR 9 9.774 -2.473 -1.373 39 HA TYR 9 HA TYR 9 6.918 -2.579 -0.772 40 HB2 TYR 9 1HB TYR 9 9.094 -3.931 0.808 41 HB3 TYR 9 2HB TYR 9 7.397 -4.380 0.672 42 HD1 TYR 9 2HD TYR 9 6.825 -4.571 -2.096 43 HD2 TYR 9 1HD TYR 9 10.446 -5.562 -0.095 44 HE1 TYR 9 2HE TYR 9 7.382 -6.149 -3.899 45 HE2 TYR 9 1HE TYR 9 11.014 -7.142 -1.892 46 HH TYR 9 HH TYR 9 9.421 -7.197 -4.862 47 H PHE 10 H PHE 10 6.014 -1.231 0.623 48 HA PHE 10 HA PHE 10 7.747 0.209 2.514 49 HB2 PHE 10 1HB PHE 10 5.173 0.960 1.151 50 HB3 PHE 10 2HB PHE 10 5.711 1.797 2.604 51 HD1 PHE 10 1HD PHE 10 7.069 0.731 -0.705 52 HD2 PHE 10 2HD PHE 10 6.931 3.717 2.325 53 HE1 PHE 10 1HE PHE 10 8.493 2.190 -2.082 54 HE2 PHE 10 2HE PHE 10 8.354 5.181 0.953 55 HZ PHE 10 HZ PHE 10 9.137 4.418 -1.254 56 H VAL 11 H VAL 11 7.114 0.454 4.670 57 HA VAL 11 HA VAL 11 5.097 -1.497 5.569 58 HB VAL 11 HB VAL 11 7.460 -1.917 6.288 59 HG11 VAL 11 1HG1 VAL 11 7.697 0.707 6.656 60 HG12 VAL 11 2HG1 VAL 11 7.244 0.250 8.299 61 HG13 VAL 11 3HG1 VAL 11 8.672 -0.462 7.546 62 HG21 VAL 11 1HG2 VAL 11 6.248 -1.450 8.871 63 HG22 VAL 11 2HG2 VAL 11 5.087 -2.118 7.723 64 HG23 VAL 11 3HG2 VAL 11 6.595 -2.972 8.049 65 H ALA 12 H ALA 12 3.434 -0.840 6.809 66 HA ALA 12 HA ALA 12 2.940 1.971 7.076 67 HB1 ALA 12 1HB ALA 12 1.422 -0.521 7.663 68 HB2 ALA 12 2HB ALA 12 0.905 0.985 8.421 69 HB3 ALA 12 3HB ALA 12 0.980 0.864 6.663 70 H LEU 13 H LEU 13 3.928 3.128 8.598 71 HA LEU 13 HA LEU 13 4.967 2.018 11.001 72 HB2 LEU 13 1HB LEU 13 4.451 4.931 10.460 73 HB3 LEU 13 2HB LEU 13 5.639 4.229 11.556 74 HG LEU 13 HG LEU 13 5.866 3.642 8.644 75 HD11 LEU 13 1HD1 LEU 13 6.016 5.785 8.081 76 HD12 LEU 13 2HD1 LEU 13 7.465 5.875 9.082 77 HD13 LEU 13 3HD1 LEU 13 5.895 6.302 9.763 78 HD21 LEU 13 1HD2 LEU 13 7.502 2.527 9.799 79 HD22 LEU 13 2HD2 LEU 13 7.631 3.773 11.041 80 HD23 LEU 13 3HD2 LEU 13 8.335 4.041 9.445 81 H PHE 14 H PHE 14 1.973 3.583 10.133 82 HA PHE 14 HA PHE 14 0.925 2.967 12.791 83 HB2 PHE 14 1HB PHE 14 0.211 5.601 11.547 84 HB3 PHE 14 2HB PHE 14 0.094 5.101 13.231 85 HD1 PHE 14 2HD PHE 14 2.382 6.230 10.586 86 HD2 PHE 14 1HD PHE 14 1.938 5.323 14.721 87 HE1 PHE 14 2HE PHE 14 4.543 7.309 11.051 88 HE2 PHE 14 1HE PHE 14 4.099 6.401 15.193 89 HZ PHE 14 HZ PHE 14 5.405 7.395 13.357 90 H ASP 15 H ASP 15 -1.240 2.441 12.836 91 HA ASP 15 HA ASP 15 -2.379 1.359 10.531 92 HB2 ASP 15 1HB ASP 15 -4.513 1.324 11.912 93 HB3 ASP 15 2HB ASP 15 -3.116 0.524 12.627 94 H TYR 16 H TYR 16 -4.146 1.998 9.248 95 HA TYR 16 HA TYR 16 -5.097 4.739 9.464 96 HB2 TYR 16 1HB TYR 16 -3.232 5.175 8.083 97 HB3 TYR 16 2HB TYR 16 -3.475 3.703 7.148 98 HD1 TYR 16 2HD TYR 16 -5.172 6.934 7.936 99 HD2 TYR 16 1HD TYR 16 -4.519 3.844 5.085 100 HE1 TYR 16 2HE TYR 16 -6.448 8.212 6.267 101 HE2 TYR 16 1HE TYR 16 -5.793 5.114 3.407 102 HH TYR 16 HH TYR 16 -7.821 7.148 3.790 103 H GLN 17 H GLN 17 -7.136 5.004 8.701 104 HA GLN 17 HA GLN 17 -8.401 2.637 7.495 105 HB2 GLN 17 1HB GLN 17 -9.327 3.163 9.669 106 HB3 GLN 17 2HB GLN 17 -9.587 4.836 9.193 107 HG2 GLN 17 1HG GLN 17 -11.294 4.214 7.655 108 HG3 GLN 17 2HG GLN 17 -10.928 2.502 7.858 109 HE21 GLN 17 1HE2 GLN 17 -11.258 1.609 10.034 110 HE22 GLN 17 2HE2 GLN 17 -12.573 2.211 10.978 111 H ALA 18 H ALA 18 -8.767 2.834 5.395 112 HA ALA 18 HA ALA 18 -8.588 5.191 3.917 113 HB1 ALA 18 1HB ALA 18 -8.679 2.603 3.257 114 HB2 ALA 18 2HB ALA 18 -10.334 3.059 2.846 115 HB3 ALA 18 3HB ALA 18 -8.976 3.900 2.099 116 H ARG 19 H ARG 19 -9.862 6.913 4.009 117 HA ARG 19 HA ARG 19 -12.434 6.934 5.161 118 HB2 ARG 19 1HB ARG 19 -10.966 8.924 3.435 119 HB3 ARG 19 2HB ARG 19 -12.569 9.240 4.087 120 HG2 ARG 19 1HG ARG 19 -10.319 8.450 5.892 121 HG3 ARG 19 2HG ARG 19 -10.507 10.120 5.351 122 HD2 ARG 19 1HD ARG 19 -11.731 10.194 7.279 123 HD3 ARG 19 2HD ARG 19 -12.993 9.730 6.139 124 HE ARG 19 HE ARG 19 -11.954 7.367 7.062 125 HH11 ARG 19 2HH1 ARG 19 -13.429 10.176 8.494 126 HH12 ARG 19 1HH1 ARG 19 -14.107 9.302 9.827 127 HH21 ARG 19 2HH2 ARG 19 -12.842 6.204 8.813 128 HH22 ARG 19 1HH2 ARG 19 -13.771 7.043 10.008 129 H THR 20 H THR 20 -11.341 6.887 1.796 130 HA THR 20 HA THR 20 -14.133 6.482 0.951 131 HB THR 20 HB THR 20 -13.368 7.134 -1.321 132 HG1 THR 20 1HG THR 20 -11.303 7.834 -1.636 133 HG21 THR 20 1HG2 THR 20 -14.319 8.978 -0.383 134 HG22 THR 20 2HG2 THR 20 -12.665 9.581 -0.497 135 HG23 THR 20 3HG2 THR 20 -13.265 8.936 1.030 136 H ALA 21 H ALA 21 -14.202 5.175 -1.205 137 HA ALA 21 HA ALA 21 -13.220 2.562 -0.605 138 HB1 ALA 21 1HB ALA 21 -15.139 3.737 -2.401 139 HB2 ALA 21 2HB ALA 21 -14.145 2.545 -3.240 140 HB3 ALA 21 3HB ALA 21 -15.038 2.086 -1.789 141 H GLU 22 H GLU 22 -12.489 4.954 -3.130 142 HA GLU 22 HA GLU 22 -10.688 3.513 -4.641 143 HB2 GLU 22 1HB GLU 22 -10.703 6.452 -3.950 144 HB3 GLU 22 2HB GLU 22 -9.633 5.747 -5.153 145 HG2 GLU 22 1HG GLU 22 -11.535 5.034 -6.471 146 HG3 GLU 22 2HG GLU 22 -12.640 5.654 -5.246 147 H ASP 23 H ASP 23 -10.177 5.174 -1.583 148 HA ASP 23 HA ASP 23 -7.334 4.724 -1.583 149 HB2 ASP 23 1HB ASP 23 -9.309 5.900 0.330 150 HB3 ASP 23 2HB ASP 23 -7.731 5.404 0.936 151 H LEU 24 H LEU 24 -6.201 3.144 -0.563 152 HA LEU 24 HA LEU 24 -7.717 0.817 0.311 153 HB2 LEU 24 1HB LEU 24 -5.790 0.694 -1.308 154 HB3 LEU 24 2HB LEU 24 -4.731 1.091 0.044 155 HG LEU 24 HG LEU 24 -5.853 -1.019 1.134 156 HD11 LEU 24 1HD1 LEU 24 -6.828 -1.085 -1.591 157 HD12 LEU 24 2HD1 LEU 24 -7.302 -2.055 -0.196 158 HD13 LEU 24 3HD1 LEU 24 -5.920 -2.540 -1.178 159 HD21 LEU 24 1HD2 LEU 24 -3.502 -0.876 0.735 160 HD22 LEU 24 2HD2 LEU 24 -3.729 -1.073 -1.003 161 HD23 LEU 24 3HD2 LEU 24 -4.067 -2.417 0.089 162 H SER 25 H SER 25 -7.560 -0.124 2.327 163 HA SER 25 HA SER 25 -6.507 1.631 4.430 164 HB2 SER 25 1HB SER 25 -8.055 0.612 5.927 165 HB3 SER 25 2HB SER 25 -8.945 0.902 4.432 166 HG SER 25 HG SER 25 -9.121 -1.260 5.478 167 H PHE 26 H PHE 26 -5.255 0.797 6.137 168 HA PHE 26 HA PHE 26 -4.318 -1.934 6.031 169 HB2 PHE 26 1HB PHE 26 -1.903 -1.206 5.913 170 HB3 PHE 26 2HB PHE 26 -2.809 -1.034 4.413 171 HD1 PHE 26 1HD PHE 26 -3.397 1.159 3.557 172 HD2 PHE 26 2HD PHE 26 -1.135 0.719 7.135 173 HE1 PHE 26 1HE PHE 26 -2.755 3.532 3.439 174 HE2 PHE 26 2HE PHE 26 -0.490 3.090 7.024 175 HZ PHE 26 HZ PHE 26 -1.301 4.501 5.175 176 H ARG 27 H ARG 27 -2.654 -2.323 7.794 177 HA ARG 27 HA ARG 27 -3.292 -0.623 10.115 178 HB2 ARG 27 1HB ARG 27 -2.612 -3.569 10.124 179 HB3 ARG 27 2HB ARG 27 -3.067 -2.597 11.518 180 HG2 ARG 27 1HG ARG 27 -4.917 -2.864 9.184 181 HG3 ARG 27 2HG ARG 27 -4.828 -4.123 10.417 182 HD2 ARG 27 1HD ARG 27 -5.145 -1.286 11.271 183 HD3 ARG 27 2HD ARG 27 -6.543 -2.138 10.617 184 HE ARG 27 HE ARG 27 -5.199 -3.625 12.657 185 HH11 ARG 27 2HH1 ARG 27 -7.507 -1.088 12.064 186 HH12 ARG 27 1HH1 ARG 27 -8.328 -1.303 13.575 187 HH21 ARG 27 2HH2 ARG 27 -6.271 -3.919 14.649 188 HH22 ARG 27 1HH2 ARG 27 -7.623 -2.913 15.045 189 H ALA 28 H ALA 28 -1.615 -0.712 11.864 190 HA ALA 28 HA ALA 28 0.892 0.087 10.831 191 HB1 ALA 28 1HB ALA 28 0.410 -0.704 13.688 192 HB2 ALA 28 2HB ALA 28 1.528 0.503 13.052 193 HB3 ALA 28 3HB ALA 28 -0.210 0.803 13.014 194 H GLY 29 H GLY 29 2.201 -1.325 9.839 195 HA2 GLY 29 1HA GLY 29 3.975 -2.930 10.216 196 HA3 GLY 29 2HA GLY 29 2.900 -3.781 11.315 197 H ASP 30 H ASP 30 1.675 -2.574 8.306 198 HA ASP 30 HA ASP 30 1.262 -5.330 7.415 199 HB2 ASP 30 1HB ASP 30 -0.706 -3.863 7.514 200 HB3 ASP 30 2HB ASP 30 0.067 -2.744 6.395 201 H LYS 31 H LYS 31 1.918 -6.088 5.418 202 HA LYS 31 HA LYS 31 4.167 -4.655 4.245 203 HB2 LYS 31 1HB LYS 31 3.110 -7.434 3.693 204 HB3 LYS 31 2HB LYS 31 4.594 -6.756 3.037 205 HG2 LYS 31 1HG LYS 31 4.201 -6.891 5.993 206 HG3 LYS 31 2HG LYS 31 4.688 -8.331 5.095 207 HD2 LYS 31 1HD LYS 31 6.588 -7.030 4.156 208 HD3 LYS 31 2HD LYS 31 6.130 -5.681 5.198 209 HE2 LYS 31 1HE LYS 31 6.265 -7.559 7.061 210 HE3 LYS 31 2HE LYS 31 7.359 -8.299 5.893 211 HZ1 LYS 31 1HZ LYS 31 8.061 -5.618 6.082 212 HZ2 LYS 31 2HZ LYS 31 8.938 -6.956 6.630 213 HZ3 LYS 31 3HZ LYS 31 7.859 -6.170 7.669 214 H LEU 32 H LEU 32 3.686 -3.211 2.723 215 HA LEU 32 HA LEU 32 1.747 -3.984 0.646 216 HB2 LEU 32 1HB LEU 32 2.214 -1.200 1.700 217 HB3 LEU 32 2HB LEU 32 1.057 -1.669 0.456 218 HG LEU 32 HG LEU 32 0.882 -2.719 3.267 219 HD11 LEU 32 1HD1 LEU 32 0.117 -0.789 4.045 220 HD12 LEU 32 2HD1 LEU 32 -1.020 -0.645 2.705 221 HD13 LEU 32 3HD1 LEU 32 0.623 -0.027 2.537 222 HD21 LEU 32 1HD2 LEU 32 -1.330 -2.282 1.289 223 HD22 LEU 32 2HD2 LEU 32 -1.296 -3.340 2.700 224 HD23 LEU 32 3HD2 LEU 32 -0.351 -3.748 1.267 225 H GLN 33 H GLN 33 2.300 -3.576 -1.454 226 HA GLN 33 HA GLN 33 5.059 -2.665 -1.891 227 HB2 GLN 33 1HB GLN 33 4.620 -4.918 -2.685 228 HB3 GLN 33 2HB GLN 33 3.242 -4.352 -3.620 229 HG2 GLN 33 1HG GLN 33 4.840 -2.929 -4.928 230 HG3 GLN 33 2HG GLN 33 6.150 -3.768 -4.098 231 HE21 GLN 33 1HE2 GLN 33 7.004 -4.794 -5.838 232 HE22 GLN 33 2HE2 GLN 33 6.175 -6.011 -6.742 233 H VAL 34 H VAL 34 5.386 -0.742 -2.777 234 HA VAL 34 HA VAL 34 3.175 0.815 -3.766 235 HB VAL 34 HB VAL 34 6.122 1.430 -3.547 236 HG11 VAL 34 1HG1 VAL 34 5.588 3.720 -4.115 237 HG12 VAL 34 2HG1 VAL 34 5.081 2.651 -5.424 238 HG13 VAL 34 3HG1 VAL 34 3.885 3.306 -4.306 239 HG21 VAL 34 1HG2 VAL 34 5.143 1.316 -1.394 240 HG22 VAL 34 2HG2 VAL 34 5.255 3.030 -1.794 241 HG23 VAL 34 3HG2 VAL 34 3.707 2.194 -1.921 242 H LEU 35 H LEU 35 2.451 0.669 -5.776 243 HA LEU 35 HA LEU 35 4.237 -0.276 -7.891 244 HB2 LEU 35 1HB LEU 35 1.290 0.233 -8.149 245 HB3 LEU 35 2HB LEU 35 2.315 -0.798 -9.146 246 HG LEU 35 HG LEU 35 1.885 -1.460 -6.260 247 HD11 LEU 35 1HD1 LEU 35 -0.089 -2.695 -6.754 248 HD12 LEU 35 2HD1 LEU 35 0.042 -2.333 -8.474 249 HD13 LEU 35 3HD1 LEU 35 -0.340 -1.047 -7.329 250 HD21 LEU 35 1HD2 LEU 35 3.217 -3.127 -6.886 251 HD22 LEU 35 2HD2 LEU 35 3.096 -2.674 -8.587 252 HD23 LEU 35 3HD2 LEU 35 1.879 -3.729 -7.865 253 H ASP 36 H ASP 36 1.750 2.251 -7.487 254 HA ASP 36 HA ASP 36 3.105 3.830 -9.555 255 HB2 ASP 36 1HB ASP 36 0.523 3.260 -9.465 256 HB3 ASP 36 2HB ASP 36 0.483 4.647 -8.380 257 H THR 37 H THR 37 4.192 5.630 -9.074 258 HA THR 37 HA THR 37 3.816 6.822 -6.407 259 HB THR 37 HB THR 37 6.231 7.314 -6.322 260 HG1 THR 37 1HG THR 37 6.637 7.232 -8.591 261 HG21 THR 37 1HG2 THR 37 6.795 4.617 -6.509 262 HG22 THR 37 2HG2 THR 37 5.055 4.650 -6.222 263 HG23 THR 37 3HG2 THR 37 6.150 5.444 -5.091 264 H SER 38 H SER 38 2.618 7.619 -8.904 265 HA SER 38 HA SER 38 4.059 9.919 -9.871 266 HB2 SER 38 1HB SER 38 1.192 9.098 -10.394 267 HB3 SER 38 2HB SER 38 2.124 10.282 -11.310 268 HG SER 38 HG SER 38 2.435 8.514 -12.479 269 H HIS 39 H HIS 39 0.712 9.764 -8.677 270 HA HIS 39 HA HIS 39 0.508 12.431 -7.959 271 HB2 HIS 39 1HB HIS 39 -1.275 10.495 -8.062 272 HB3 HIS 39 2HB HIS 39 -0.927 10.363 -6.341 273 HD1 HIS 39 1HD HIS 39 -2.118 11.956 -4.837 274 HD2 HIS 39 2HD HIS 39 -2.253 13.145 -8.815 275 HE1 HIS 39 1HE HIS 39 -3.665 13.937 -4.894 276 HE2 HIS 39 2HE HIS 39 -3.798 14.587 -7.324 277 H GLU 40 H GLU 40 2.227 13.249 -6.825 278 HA GLU 40 HA GLU 40 3.683 12.205 -4.790 279 HB2 GLU 40 1HB GLU 40 4.134 14.405 -5.742 280 HB3 GLU 40 2HB GLU 40 2.680 15.049 -4.993 281 HG2 GLU 40 1HG GLU 40 4.757 13.805 -3.265 282 HG3 GLU 40 2HG GLU 40 5.033 15.420 -3.915 283 H GLY 41 H GLY 41 3.432 11.701 -2.687 284 HA2 GLY 41 1HA GLY 41 2.481 11.843 -0.536 285 HA3 GLY 41 2HA GLY 41 1.109 12.700 -1.224 286 H TRP 42 H TRP 42 0.100 11.113 -3.090 287 HA TRP 42 HA TRP 42 -0.702 8.739 -1.565 288 HB2 TRP 42 1HB TRP 42 -2.040 10.201 -3.847 289 HB3 TRP 42 2HB TRP 42 -2.643 8.695 -3.161 290 HD1 TRP 42 HD TRP 42 -2.394 12.425 -2.445 291 HE1 TRP 42 1HE TRP 42 -3.864 12.983 -0.407 292 HE3 TRP 42 3HE TRP 42 -3.572 7.674 -0.967 293 HZ2 TRP 42 2HZ TRP 42 -5.329 11.594 1.566 294 HZ3 TRP 42 3HZ TRP 42 -5.012 7.376 1.006 295 HH2 TRP 42 HH TRP 42 -5.871 9.297 2.245 296 H TRP 43 H TRP 43 -0.173 6.755 -2.217 297 HA TRP 43 HA TRP 43 0.822 6.414 -4.970 298 HB2 TRP 43 1HB TRP 43 1.853 5.085 -2.454 299 HB3 TRP 43 2HB TRP 43 2.390 4.710 -4.089 300 HD1 TRP 43 HD TRP 43 2.381 7.971 -4.870 301 HE1 TRP 43 1HE TRP 43 4.440 9.322 -4.122 302 HE3 TRP 43 3HE TRP 43 4.135 4.832 -1.236 303 HZ2 TRP 43 2HZ TRP 43 6.532 9.088 -2.241 304 HZ3 TRP 43 3HZ TRP 43 6.171 5.469 -0.010 305 HH2 TRP 43 HH TRP 43 7.343 7.553 -0.504 306 H LEU 44 H LEU 44 0.472 4.353 -5.938 307 HA LEU 44 HA LEU 44 -1.921 3.023 -4.894 308 HB2 LEU 44 1HB LEU 44 -2.219 3.749 -7.117 309 HB3 LEU 44 2HB LEU 44 -0.641 3.137 -7.609 310 HG LEU 44 HG LEU 44 -1.621 0.809 -7.106 311 HD11 LEU 44 1HD1 LEU 44 -4.215 1.108 -7.759 312 HD12 LEU 44 2HD1 LEU 44 -3.972 2.553 -6.778 313 HD13 LEU 44 3HD1 LEU 44 -3.630 0.961 -6.101 314 HD21 LEU 44 1HD2 LEU 44 -1.197 2.031 -9.366 315 HD22 LEU 44 2HD2 LEU 44 -2.957 2.143 -9.423 316 HD23 LEU 44 3HD2 LEU 44 -2.176 0.563 -9.332 317 H ALA 45 H ALA 45 -1.318 1.472 -3.488 318 HA ALA 45 HA ALA 45 0.727 -0.455 -4.376 319 HB1 ALA 45 1HB ALA 45 1.488 0.634 -2.400 320 HB2 ALA 45 2HB ALA 45 -0.062 0.386 -1.594 321 HB3 ALA 45 3HB ALA 45 0.981 -0.993 -1.942 322 H ARG 46 H ARG 46 0.393 -2.682 -3.371 323 HA ARG 46 HA ARG 46 -2.471 -3.363 -3.323 324 HB2 ARG 46 1HB ARG 46 -2.137 -5.242 -4.709 325 HB3 ARG 46 2HB ARG 46 -1.261 -3.933 -5.493 326 HG2 ARG 46 1HG ARG 46 0.822 -4.789 -4.408 327 HG3 ARG 46 2HG ARG 46 -0.112 -6.183 -3.862 328 HD2 ARG 46 1HD ARG 46 -0.038 -5.393 -6.754 329 HD3 ARG 46 2HD ARG 46 1.237 -6.384 -6.046 330 HE ARG 46 HE ARG 46 -1.090 -7.632 -5.338 331 HH11 ARG 46 2HH1 ARG 46 0.381 -6.653 -8.337 332 HH12 ARG 46 1HH1 ARG 46 -0.334 -7.935 -9.257 333 HH21 ARG 46 2HH2 ARG 46 -2.037 -9.325 -6.538 334 HH22 ARG 46 1HH2 ARG 46 -1.710 -9.454 -8.233 335 H HIS 47 H HIS 47 -3.106 -4.926 -1.884 336 HA HIS 47 HA HIS 47 -1.514 -5.326 0.409 337 HB2 HIS 47 1HB HIS 47 -4.154 -6.309 -0.549 338 HB3 HIS 47 2HB HIS 47 -3.380 -7.206 0.754 339 HD1 HIS 47 1HD HIS 47 -2.577 -5.518 2.826 340 HD2 HIS 47 2HD HIS 47 -5.670 -4.267 0.350 341 HE1 HIS 47 1HE HIS 47 -3.789 -3.731 4.115 342 HE2 HIS 47 2HE HIS 47 -5.708 -3.050 2.632 343 H LEU 48 H LEU 48 0.212 -6.587 0.556 344 HA LEU 48 HA LEU 48 0.568 -8.829 -1.248 345 HB2 LEU 48 1HB LEU 48 2.366 -7.793 0.938 346 HB3 LEU 48 2HB LEU 48 2.797 -8.991 -0.280 347 HG LEU 48 HG LEU 48 1.937 -6.265 -1.146 348 HD11 LEU 48 1HD1 LEU 48 4.819 -6.783 -0.613 349 HD12 LEU 48 2HD1 LEU 48 3.783 -6.276 0.720 350 HD13 LEU 48 3HD1 LEU 48 3.943 -5.255 -0.709 351 HD21 LEU 48 1HD2 LEU 48 3.150 -6.750 -3.078 352 HD22 LEU 48 2HD2 LEU 48 2.387 -8.285 -2.665 353 HD23 LEU 48 3HD2 LEU 48 4.089 -8.016 -2.286 354 H GLU 49 H GLU 49 0.056 -8.248 2.188 355 HA GLU 49 HA GLU 49 0.559 -10.735 3.251 356 HB2 GLU 49 1HB GLU 49 -1.302 -8.522 3.948 357 HB3 GLU 49 2HB GLU 49 -1.557 -10.071 4.739 358 HG2 GLU 49 1HG GLU 49 1.145 -8.788 4.704 359 HG3 GLU 49 2HG GLU 49 -0.073 -8.321 5.890 360 H LYS 50 H LYS 50 -0.802 -12.525 3.784 361 HA LYS 50 HA LYS 50 -3.000 -12.924 1.860 362 HB2 LYS 50 1HB LYS 50 -1.069 -14.342 1.355 363 HB3 LYS 50 2HB LYS 50 -1.088 -14.974 2.996 364 HG2 LYS 50 1HG LYS 50 -3.434 -15.800 2.494 365 HG3 LYS 50 2HG LYS 50 -3.085 -15.431 0.803 366 HD2 LYS 50 1HD LYS 50 -1.228 -17.136 2.427 367 HD3 LYS 50 2HD LYS 50 -2.659 -17.827 1.660 368 HE2 LYS 50 1HE LYS 50 -1.894 -17.148 -0.510 369 HE3 LYS 50 2HE LYS 50 -0.555 -16.243 0.194 370 HZ1 LYS 50 1HZ LYS 50 -0.719 -19.085 0.831 371 HZ2 LYS 50 2HZ LYS 50 0.639 -18.113 0.562 372 HZ3 LYS 50 3HZ LYS 50 -0.268 -18.680 -0.749 373 H LYS 51 H LYS 51 -4.743 -12.430 3.104 374 HA LYS 51 HA LYS 51 -4.982 -13.494 5.794 375 HB2 LYS 51 1HB LYS 51 -5.760 -11.176 5.063 376 HB3 LYS 51 2HB LYS 51 -7.092 -11.990 4.252 377 HG2 LYS 51 1HG LYS 51 -8.092 -12.616 6.225 378 HG3 LYS 51 2HG LYS 51 -6.583 -12.540 7.138 379 HD2 LYS 51 1HD LYS 51 -6.681 -10.005 6.631 380 HD3 LYS 51 2HD LYS 51 -8.381 -10.306 6.265 381 HE2 LYS 51 1HE LYS 51 -8.485 -11.446 8.550 382 HE3 LYS 51 2HE LYS 51 -6.928 -10.682 8.867 383 HZ1 LYS 51 1HZ LYS 51 -8.365 -9.124 9.685 384 HZ2 LYS 51 2HZ LYS 51 -9.570 -9.449 8.545 385 HZ3 LYS 51 3HZ LYS 51 -8.202 -8.560 8.099 386 H GLY 52 H GLY 52 -6.892 -13.684 2.783 387 HA2 GLY 52 1HA GLY 52 -7.290 -16.235 2.338 388 HA3 GLY 52 2HA GLY 52 -8.213 -16.084 3.826 389 H THR 53 H THR 53 -10.284 -16.242 3.242 390 HA THR 53 HA THR 53 -11.216 -14.896 0.823 391 HB THR 53 HB THR 53 -13.381 -16.069 1.309 392 HG1 THR 53 1HG THR 53 -12.955 -17.915 2.878 393 HG21 THR 53 1HG2 THR 53 -12.275 -18.439 1.003 394 HG22 THR 53 2HG2 THR 53 -10.802 -17.487 0.819 395 HG23 THR 53 3HG2 THR 53 -12.165 -17.222 -0.267 396 H GLY 54 H GLY 54 -12.853 -13.351 0.806 397 HA2 GLY 54 1HA GLY 54 -14.476 -12.471 2.812 398 HA3 GLY 54 2HA GLY 54 -12.947 -11.669 3.138 399 H LEU 55 H LEU 55 -15.514 -12.066 0.755 400 HA LEU 55 HA LEU 55 -14.596 -10.126 -1.073 401 HB2 LEU 55 1HB LEU 55 -17.183 -11.485 -0.532 402 HB3 LEU 55 2HB LEU 55 -17.202 -10.041 -1.541 403 HG LEU 55 HG LEU 55 -15.421 -11.242 -2.949 404 HD11 LEU 55 1HD1 LEU 55 -14.704 -13.074 -1.790 405 HD12 LEU 55 2HD1 LEU 55 -15.970 -13.811 -2.772 406 HD13 LEU 55 3HD1 LEU 55 -16.291 -13.393 -1.089 407 HD21 LEU 55 1HD2 LEU 55 -18.084 -10.992 -3.208 408 HD22 LEU 55 2HD2 LEU 55 -17.947 -12.750 -3.177 409 HD23 LEU 55 3HD2 LEU 55 -17.064 -11.818 -4.387 410 H GLY 56 H GLY 56 -13.958 -8.277 0.045 411 HA2 GLY 56 1HA GLY 56 -16.153 -6.485 0.716 412 HA3 GLY 56 2HA GLY 56 -15.026 -6.839 2.017 413 H GLN 57 H GLN 57 -13.141 -5.748 2.125 414 HA GLN 57 HA GLN 57 -12.805 -3.380 0.677 415 HB2 GLN 57 1HB GLN 57 -10.631 -3.214 1.746 416 HB3 GLN 57 2HB GLN 57 -11.824 -3.788 2.903 417 HG2 GLN 57 1HG GLN 57 -10.979 -6.141 2.227 418 HG3 GLN 57 2HG GLN 57 -9.574 -5.268 1.619 419 HE21 GLN 57 1HE2 GLN 57 -9.732 -7.178 3.789 420 HE22 GLN 57 2HE2 GLN 57 -9.175 -6.359 5.205 421 H GLN 58 H GLN 58 -10.828 -2.821 -0.616 422 HA GLN 58 HA GLN 58 -10.520 -4.801 -2.731 423 HB2 GLN 58 1HB GLN 58 -9.735 -3.025 -4.104 424 HB3 GLN 58 2HB GLN 58 -11.104 -2.391 -3.200 425 HG2 GLN 58 1HG GLN 58 -9.241 -1.595 -1.540 426 HG3 GLN 58 2HG GLN 58 -8.210 -1.748 -2.962 427 HE21 GLN 58 1HE2 GLN 58 -8.244 0.665 -2.115 428 HE22 GLN 58 2HE2 GLN 58 -9.303 1.699 -3.006 429 H LEU 59 H LEU 59 -8.222 -4.656 -3.822 430 HA LEU 59 HA LEU 59 -6.286 -5.242 -1.691 431 HB2 LEU 59 1HB LEU 59 -5.089 -6.548 -3.384 432 HB3 LEU 59 2HB LEU 59 -6.744 -7.108 -3.150 433 HG LEU 59 HG LEU 59 -6.116 -5.233 -5.393 434 HD11 LEU 59 1HD1 LEU 59 -5.890 -7.409 -6.765 435 HD12 LEU 59 2HD1 LEU 59 -5.432 -8.141 -5.228 436 HD13 LEU 59 3HD1 LEU 59 -4.486 -6.805 -5.884 437 HD21 LEU 59 1HD2 LEU 59 -8.315 -6.939 -4.520 438 HD22 LEU 59 2HD2 LEU 59 -7.906 -7.138 -6.224 439 HD23 LEU 59 3HD2 LEU 59 -8.320 -5.542 -5.597 440 H GLN 60 H GLN 60 -6.689 -3.511 -4.743 441 HA GLN 60 HA GLN 60 -4.152 -2.111 -4.224 442 HB2 GLN 60 1HB GLN 60 -5.582 -2.864 -6.734 443 HB3 GLN 60 2HB GLN 60 -4.587 -1.414 -6.736 444 HG2 GLN 60 1HG GLN 60 -2.636 -2.657 -6.187 445 HG3 GLN 60 2HG GLN 60 -3.580 -4.113 -5.880 446 HE21 GLN 60 1HE2 GLN 60 -2.677 -1.820 -8.403 447 HE22 GLN 60 2HE2 GLN 60 -2.758 -2.948 -9.709 448 H GLY 61 H GLY 61 -4.147 0.035 -3.878 449 HA2 GLY 61 1HA GLY 61 -6.169 1.802 -4.818 450 HA3 GLY 61 2HA GLY 61 -6.426 1.416 -3.123 451 H TYR 62 H TYR 62 -6.074 3.955 -3.480 452 HA TYR 62 HA TYR 62 -3.291 4.724 -3.469 453 HB2 TYR 62 1HB TYR 62 -5.792 6.345 -2.949 454 HB3 TYR 62 2HB TYR 62 -4.170 7.009 -3.115 455 HD1 TYR 62 2HD TYR 62 -2.946 6.189 -5.373 456 HD2 TYR 62 1HD TYR 62 -7.154 6.457 -4.801 457 HE1 TYR 62 2HE TYR 62 -3.260 6.356 -7.806 458 HE2 TYR 62 1HE TYR 62 -7.480 6.623 -7.233 459 HH TYR 62 HH TYR 62 -4.786 6.979 -9.428 460 H ILE 63 H ILE 63 -2.046 5.206 -1.745 461 HA ILE 63 HA ILE 63 -3.281 5.335 0.909 462 HB ILE 63 HB ILE 63 -1.511 3.881 1.847 463 HG12 ILE 63 1HG1 ILE 63 -0.937 2.933 -0.946 464 HG13 ILE 63 2HG1 ILE 63 -0.031 4.276 -0.258 465 HG21 ILE 63 1HG2 ILE 63 -3.374 2.611 1.705 466 HG22 ILE 63 2HG2 ILE 63 -3.612 2.959 -0.007 467 HG23 ILE 63 3HG2 ILE 63 -2.426 1.752 0.491 468 HD11 ILE 63 1HD1 ILE 63 0.790 1.771 -0.076 469 HD12 ILE 63 2HD1 ILE 63 1.086 2.950 1.202 470 HD13 ILE 63 3HD1 ILE 63 -0.243 1.801 1.352 471 HA PRO 64 HA PRO 64 -0.513 8.714 1.452 472 HB2 PRO 64 1HB PRO 64 -0.468 8.804 4.165 473 HB3 PRO 64 2HB PRO 64 -1.856 9.336 3.209 474 HG2 PRO 64 1HG PRO 64 -1.420 6.739 4.633 475 HG3 PRO 64 2HG PRO 64 -2.880 7.744 4.559 476 HD2 PRO 64 1HD PRO 64 -2.555 5.531 3.032 477 HD3 PRO 64 2HD PRO 64 -3.477 6.945 2.481 478 H SER 65 H SER 65 1.610 8.622 1.113 479 HA SER 65 HA SER 65 3.253 6.467 1.881 480 HB2 SER 65 1HB SER 65 5.029 7.639 0.869 481 HB3 SER 65 2HB SER 65 3.603 8.174 -0.019 482 HG SER 65 HG SER 65 3.646 10.091 1.063 483 H ASN 66 H ASN 66 2.944 9.760 3.183 484 HA ASN 66 HA ASN 66 4.902 9.768 5.089 485 HB2 ASN 66 1HB ASN 66 3.116 11.563 4.487 486 HB3 ASN 66 2HB ASN 66 2.171 10.817 5.772 487 HD21 ASN 66 1HD2 ASN 66 3.512 10.448 7.832 488 HD22 ASN 66 2HD2 ASN 66 4.464 11.795 8.346 489 H TYR 67 H TYR 67 1.892 8.010 5.128 490 HA TYR 67 HA TYR 67 1.961 7.336 7.903 491 HB2 TYR 67 1HB TYR 67 0.351 6.503 5.537 492 HB3 TYR 67 2HB TYR 67 0.357 5.443 6.942 493 HD1 TYR 67 1HD TYR 67 -0.003 9.093 6.196 494 HD2 TYR 67 2HD TYR 67 -1.327 5.756 8.479 495 HE1 TYR 67 1HE TYR 67 -1.709 10.508 7.263 496 HE2 TYR 67 2HE TYR 67 -3.038 7.161 9.551 497 HH TYR 67 HH TYR 67 -4.067 9.150 9.525 498 H VAL 68 H VAL 68 3.179 5.884 4.954 499 HA VAL 68 HA VAL 68 4.255 3.635 6.520 500 HB VAL 68 HB VAL 68 4.543 2.456 4.388 501 HG11 VAL 68 1HG1 VAL 68 1.995 3.276 5.513 502 HG12 VAL 68 2HG1 VAL 68 1.862 2.804 3.817 503 HG13 VAL 68 3HG1 VAL 68 2.542 1.681 4.996 504 HG21 VAL 68 1HG2 VAL 68 4.781 4.636 3.079 505 HG22 VAL 68 2HG2 VAL 68 3.889 3.324 2.308 506 HG23 VAL 68 3HG2 VAL 68 3.018 4.668 3.046 507 H ALA 69 H ALA 69 6.357 2.762 5.353 508 HA ALA 69 HA ALA 69 8.096 4.925 4.471 509 HB1 ALA 69 1HB ALA 69 9.790 4.494 6.154 510 HB2 ALA 69 2HB ALA 69 8.272 4.965 6.920 511 HB3 ALA 69 3HB ALA 69 8.764 3.271 6.902 512 H GLU 70 H GLU 70 10.252 4.100 3.788 513 HA GLU 70 HA GLU 70 9.923 1.772 2.169 514 HB2 GLU 70 1HB GLU 70 11.353 3.924 1.757 515 HB3 GLU 70 2HB GLU 70 12.585 3.055 2.661 516 HG2 GLU 70 1HG GLU 70 12.085 1.138 0.980 517 HG3 GLU 70 2HG GLU 70 11.401 2.432 -0.002 518 H ASP 71 H ASP 71 9.752 -0.099 3.293 519 HA ASP 71 HA ASP 71 11.695 -0.699 5.389 520 HB2 ASP 71 1HB ASP 71 9.152 -1.146 5.549 521 HB3 ASP 71 2HB ASP 71 9.477 -2.528 4.507 522 H SER 72 H SER 72 13.126 -2.412 5.312 523 HA SER 72 HA SER 72 13.748 -3.361 2.616 524 HB2 SER 72 1HB SER 72 15.667 -2.446 3.630 525 HB3 SER 72 2HB SER 72 15.320 -3.210 5.181 526 HG SER 72 HG SER 72 16.951 -4.358 4.176 527 H GLY 73 H GLY 73 11.805 -4.791 2.784 528 HA2 GLY 73 1HA GLY 73 11.568 -6.907 4.581 529 HA3 GLY 73 2HA GLY 73 10.938 -6.910 2.941 530 HA PRO 74 HA PRO 74 14.087 -10.279 3.227 531 HB2 PRO 74 1HB PRO 74 12.604 -12.088 1.849 532 HB3 PRO 74 2HB PRO 74 12.447 -11.846 3.592 533 HG2 PRO 74 1HG PRO 74 10.747 -10.778 1.372 534 HG3 PRO 74 2HG PRO 74 10.251 -11.462 2.931 535 HD2 PRO 74 1HD PRO 74 10.341 -8.795 2.473 536 HD3 PRO 74 2HD PRO 74 10.672 -9.502 4.068 537 H SER 75 H SER 75 15.557 -9.347 1.834 538 HA SER 75 HA SER 75 14.992 -9.666 -1.042 539 HB2 SER 75 1HB SER 75 16.255 -7.706 -1.527 540 HB3 SER 75 2HB SER 75 15.185 -7.274 -0.193 541 HG SER 75 HG SER 75 17.960 -7.740 -0.172 542 H SER 76 H SER 76 16.985 -9.929 -2.379 543 HA SER 76 HA SER 76 19.347 -10.940 -1.081 544 HB2 SER 76 1HB SER 76 17.464 -12.812 -2.522 545 HB3 SER 76 2HB SER 76 19.162 -13.193 -2.239 546 HG SER 76 HG SER 76 17.121 -13.491 -0.576 547 H GLY 77 H GLY 77 20.865 -11.918 -2.826 548 HA2 GLY 77 1HA GLY 77 20.432 -10.731 -5.464 549 HA3 GLY 77 2HA GLY 77 21.819 -10.163 -4.545 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.500 -18.043 0.286 2 HA2 GLY 1 1HA GLY 1 2.133 -15.555 0.964 3 HA3 GLY 1 2HA GLY 1 3.694 -16.336 1.170 4 H SER 2 H SER 2 1.670 -14.759 -0.982 5 HA SER 2 HA SER 2 2.470 -16.004 -3.415 6 HB2 SER 2 1HB SER 2 1.082 -13.446 -2.699 7 HB3 SER 2 2HB SER 2 1.665 -13.684 -4.346 8 HG SER 2 HG SER 2 -0.588 -14.491 -3.476 9 H SER 3 H SER 3 4.278 -15.767 -4.555 10 HA SER 3 HA SER 3 6.391 -14.096 -3.563 11 HB2 SER 3 1HB SER 3 7.779 -15.152 -5.191 12 HB3 SER 3 2HB SER 3 6.689 -16.400 -4.589 13 HG SER 3 HG SER 3 5.634 -16.414 -6.465 14 H GLY 4 H GLY 4 7.677 -12.725 -5.132 15 HA2 GLY 4 1HA GLY 4 6.173 -11.499 -7.281 16 HA3 GLY 4 2HA GLY 4 6.404 -10.467 -5.877 17 H SER 5 H SER 5 7.385 -9.759 -8.362 18 HA SER 5 HA SER 5 10.185 -10.467 -8.505 19 HB2 SER 5 1HB SER 5 8.374 -8.698 -10.131 20 HB3 SER 5 2HB SER 5 10.123 -8.649 -10.353 21 HG SER 5 HG SER 5 9.795 -10.296 -11.612 22 H SER 6 H SER 6 11.857 -8.748 -8.623 23 HA SER 6 HA SER 6 12.062 -7.328 -6.263 24 HB2 SER 6 1HB SER 6 13.429 -6.959 -8.926 25 HB3 SER 6 2HB SER 6 13.840 -5.975 -7.522 26 HG SER 6 HG SER 6 13.953 -8.287 -6.533 27 H GLY 7 H GLY 7 10.619 -5.863 -5.593 28 HA2 GLY 7 1HA GLY 7 10.116 -3.559 -7.358 29 HA3 GLY 7 2HA GLY 7 8.766 -4.369 -6.575 30 H GLN 8 H GLN 8 8.315 -2.263 -5.641 31 HA GLN 8 HA GLN 8 10.153 -1.487 -3.488 32 HB2 GLN 8 1HB GLN 8 8.113 -0.031 -5.101 33 HB3 GLN 8 2HB GLN 8 8.411 0.518 -3.457 34 HG2 GLN 8 1HG GLN 8 10.837 0.667 -4.038 35 HG3 GLN 8 2HG GLN 8 10.391 0.335 -5.711 36 HE21 GLN 8 1HE2 GLN 8 11.297 2.729 -3.821 37 HE22 GLN 8 2HE2 GLN 8 10.410 4.049 -4.494 38 H TYR 9 H TYR 9 9.691 -2.627 -1.702 39 HA TYR 9 HA TYR 9 6.887 -3.047 -0.962 40 HB2 TYR 9 1HB TYR 9 9.342 -4.232 0.340 41 HB3 TYR 9 2HB TYR 9 7.671 -4.746 0.547 42 HD1 TYR 9 2HD TYR 9 6.461 -5.576 -1.610 43 HD2 TYR 9 1HD TYR 9 10.689 -5.318 -1.207 44 HE1 TYR 9 2HE TYR 9 6.728 -7.194 -3.442 45 HE2 TYR 9 1HE TYR 9 10.968 -6.935 -3.039 46 HH TYR 9 HH TYR 9 9.758 -7.804 -4.928 47 H PHE 10 H PHE 10 5.955 -1.966 0.651 48 HA PHE 10 HA PHE 10 7.681 -0.450 2.495 49 HB2 PHE 10 1HB PHE 10 5.191 0.400 1.044 50 HB3 PHE 10 2HB PHE 10 5.648 1.167 2.562 51 HD1 PHE 10 1HD PHE 10 7.329 0.157 -0.618 52 HD2 PHE 10 2HD PHE 10 6.771 3.147 2.360 53 HE1 PHE 10 1HE PHE 10 8.853 1.654 -1.839 54 HE2 PHE 10 2HE PHE 10 8.293 4.649 1.143 55 HZ PHE 10 HZ PHE 10 9.335 3.904 -0.960 56 H VAL 11 H VAL 11 6.824 -0.079 4.615 57 HA VAL 11 HA VAL 11 4.852 -2.119 5.415 58 HB VAL 11 HB VAL 11 7.015 -2.600 6.373 59 HG11 VAL 11 1HG1 VAL 11 8.263 -1.069 7.707 60 HG12 VAL 11 2HG1 VAL 11 7.862 -0.246 6.198 61 HG13 VAL 11 3HG1 VAL 11 6.960 0.118 7.670 62 HG21 VAL 11 1HG2 VAL 11 5.034 -1.462 8.335 63 HG22 VAL 11 2HG2 VAL 11 5.192 -3.137 7.806 64 HG23 VAL 11 3HG2 VAL 11 6.443 -2.409 8.814 65 H ALA 12 H ALA 12 3.183 -1.567 6.766 66 HA ALA 12 HA ALA 12 2.510 1.243 6.868 67 HB1 ALA 12 1HB ALA 12 0.430 0.242 8.066 68 HB2 ALA 12 2HB ALA 12 0.653 -0.018 6.335 69 HB3 ALA 12 3HB ALA 12 1.062 -1.297 7.479 70 H LEU 13 H LEU 13 3.241 2.496 8.448 71 HA LEU 13 HA LEU 13 4.248 1.463 10.909 72 HB2 LEU 13 1HB LEU 13 3.633 4.297 10.086 73 HB3 LEU 13 2HB LEU 13 4.538 3.827 11.524 74 HG LEU 13 HG LEU 13 5.534 2.934 8.861 75 HD11 LEU 13 1HD1 LEU 13 5.879 4.973 8.069 76 HD12 LEU 13 2HD1 LEU 13 6.774 5.400 9.527 77 HD13 LEU 13 3HD1 LEU 13 5.031 5.660 9.454 78 HD21 LEU 13 1HD2 LEU 13 7.665 3.085 9.943 79 HD22 LEU 13 2HD2 LEU 13 6.561 2.224 11.015 80 HD23 LEU 13 3HD2 LEU 13 6.959 3.913 11.330 81 H PHE 14 H PHE 14 1.248 2.981 9.896 82 HA PHE 14 HA PHE 14 0.108 2.325 12.523 83 HB2 PHE 14 1HB PHE 14 -0.720 4.801 11.027 84 HB3 PHE 14 2HB PHE 14 -1.009 4.390 12.715 85 HD1 PHE 14 1HD PHE 14 1.037 4.258 14.254 86 HD2 PHE 14 2HD PHE 14 1.078 6.140 10.436 87 HE1 PHE 14 1HE PHE 14 3.036 5.534 14.908 88 HE2 PHE 14 2HE PHE 14 3.077 7.418 11.084 89 HZ PHE 14 HZ PHE 14 4.060 7.116 13.322 90 H ASP 15 H ASP 15 -2.407 2.581 12.359 91 HA ASP 15 HA ASP 15 -3.224 0.886 10.147 92 HB2 ASP 15 1HB ASP 15 -4.813 1.867 12.528 93 HB3 ASP 15 2HB ASP 15 -5.320 0.627 11.384 94 H TYR 16 H TYR 16 -4.779 1.392 8.628 95 HA TYR 16 HA TYR 16 -6.002 4.029 8.655 96 HB2 TYR 16 1HB TYR 16 -3.911 4.510 7.545 97 HB3 TYR 16 2HB TYR 16 -4.111 3.127 6.475 98 HD1 TYR 16 1HD TYR 16 -6.031 3.161 4.813 99 HD2 TYR 16 2HD TYR 16 -4.792 6.612 6.972 100 HE1 TYR 16 1HE TYR 16 -7.172 4.592 3.169 101 HE2 TYR 16 2HE TYR 16 -5.931 8.052 5.335 102 HH TYR 16 HH TYR 16 -8.073 6.791 2.954 103 H GLN 17 H GLN 17 -8.007 3.953 7.863 104 HA GLN 17 HA GLN 17 -8.804 1.540 6.380 105 HB2 GLN 17 1HB GLN 17 -11.146 2.245 7.133 106 HB3 GLN 17 2HB GLN 17 -10.060 1.616 8.365 107 HG2 GLN 17 1HG GLN 17 -9.577 3.850 9.138 108 HG3 GLN 17 2HG GLN 17 -10.559 4.537 7.845 109 HE21 GLN 17 1HE2 GLN 17 -11.798 5.602 9.449 110 HE22 GLN 17 2HE2 GLN 17 -13.006 4.752 10.345 111 H ALA 18 H ALA 18 -10.027 1.701 4.514 112 HA ALA 18 HA ALA 18 -9.884 4.302 3.182 113 HB1 ALA 18 1HB ALA 18 -9.662 3.200 1.224 114 HB2 ALA 18 2HB ALA 18 -9.157 1.878 2.277 115 HB3 ALA 18 3HB ALA 18 -10.814 1.943 1.675 116 H ARG 19 H ARG 19 -11.631 5.479 2.670 117 HA ARG 19 HA ARG 19 -14.233 4.509 3.557 118 HB2 ARG 19 1HB ARG 19 -13.519 7.250 2.506 119 HB3 ARG 19 2HB ARG 19 -14.966 6.796 3.396 120 HG2 ARG 19 1HG ARG 19 -13.628 6.352 5.379 121 HG3 ARG 19 2HG ARG 19 -12.161 6.763 4.489 122 HD2 ARG 19 1HD ARG 19 -12.775 8.671 5.777 123 HD3 ARG 19 2HD ARG 19 -13.140 9.030 4.090 124 HE ARG 19 HE ARG 19 -15.031 8.708 6.257 125 HH11 ARG 19 2HH1 ARG 19 -14.533 8.832 2.814 126 HH12 ARG 19 1HH1 ARG 19 -16.180 9.236 2.459 127 HH21 ARG 19 2HH2 ARG 19 -17.202 9.239 5.802 128 HH22 ARG 19 1HH2 ARG 19 -17.697 9.468 4.159 129 H THR 20 H THR 20 -12.588 5.557 0.628 130 HA THR 20 HA THR 20 -14.967 4.785 -0.930 131 HB THR 20 HB THR 20 -14.006 6.175 -2.769 132 HG1 THR 20 1HG THR 20 -11.823 6.171 -1.960 133 HG21 THR 20 1HG2 THR 20 -15.413 7.717 -1.994 134 HG22 THR 20 2HG2 THR 20 -14.165 8.298 -0.891 135 HG23 THR 20 3HG2 THR 20 -15.283 7.036 -0.373 136 H ALA 21 H ALA 21 -14.749 3.398 -2.661 137 HA ALA 21 HA ALA 21 -13.045 1.294 -2.575 138 HB1 ALA 21 1HB ALA 21 -13.674 0.750 -4.788 139 HB2 ALA 21 2HB ALA 21 -15.048 1.604 -4.083 140 HB3 ALA 21 3HB ALA 21 -13.967 2.440 -5.199 141 H GLU 22 H GLU 22 -12.499 4.305 -4.379 142 HA GLU 22 HA GLU 22 -10.169 3.701 -5.697 143 HB2 GLU 22 1HB GLU 22 -10.954 6.293 -4.358 144 HB3 GLU 22 2HB GLU 22 -9.602 6.133 -5.470 145 HG2 GLU 22 1HG GLU 22 -11.359 5.188 -7.107 146 HG3 GLU 22 2HG GLU 22 -12.531 5.937 -6.024 147 H ASP 23 H ASP 23 -10.512 4.824 -2.349 148 HA ASP 23 HA ASP 23 -7.685 4.701 -1.847 149 HB2 ASP 23 1HB ASP 23 -10.115 5.278 -0.192 150 HB3 ASP 23 2HB ASP 23 -8.584 4.933 0.607 151 H LEU 24 H LEU 24 -6.607 3.244 -0.469 152 HA LEU 24 HA LEU 24 -7.908 0.613 -0.297 153 HB2 LEU 24 1HB LEU 24 -5.782 0.922 -1.642 154 HB3 LEU 24 2HB LEU 24 -4.961 1.181 -0.104 155 HG LEU 24 HG LEU 24 -5.983 -1.152 0.498 156 HD11 LEU 24 1HD1 LEU 24 -6.177 -2.633 -1.419 157 HD12 LEU 24 2HD1 LEU 24 -5.904 -1.278 -2.514 158 HD13 LEU 24 3HD1 LEU 24 -7.359 -1.328 -1.520 159 HD21 LEU 24 1HD2 LEU 24 -3.522 -0.274 -0.230 160 HD22 LEU 24 2HD2 LEU 24 -3.816 -1.512 -1.451 161 HD23 LEU 24 3HD2 LEU 24 -3.888 -1.927 0.263 162 H SER 25 H SER 25 -7.813 -0.596 1.596 163 HA SER 25 HA SER 25 -7.202 0.972 4.009 164 HB2 SER 25 1HB SER 25 -8.891 -0.194 5.145 165 HB3 SER 25 2HB SER 25 -9.571 0.033 3.534 166 HG SER 25 HG SER 25 -8.675 -2.289 4.785 167 H PHE 26 H PHE 26 -5.896 0.163 5.599 168 HA PHE 26 HA PHE 26 -4.898 -2.550 5.455 169 HB2 PHE 26 1HB PHE 26 -2.524 -1.856 5.367 170 HB3 PHE 26 2HB PHE 26 -3.397 -1.436 3.897 171 HD1 PHE 26 2HD PHE 26 -1.819 -0.131 6.934 172 HD2 PHE 26 1HD PHE 26 -3.783 0.851 3.288 173 HE1 PHE 26 2HE PHE 26 -1.089 2.206 7.175 174 HE2 PHE 26 1HE PHE 26 -3.056 3.190 3.523 175 HZ PHE 26 HZ PHE 26 -1.709 3.871 5.469 176 H ARG 27 H ARG 27 -3.004 -2.703 7.206 177 HA ARG 27 HA ARG 27 -3.753 -1.099 9.549 178 HB2 ARG 27 1HB ARG 27 -3.388 -4.100 9.589 179 HB3 ARG 27 2HB ARG 27 -3.787 -3.076 10.963 180 HG2 ARG 27 1HG ARG 27 -5.859 -2.420 9.546 181 HG3 ARG 27 2HG ARG 27 -5.497 -3.905 8.663 182 HD2 ARG 27 1HD ARG 27 -5.410 -4.995 11.005 183 HD3 ARG 27 2HD ARG 27 -6.275 -3.553 11.535 184 HE ARG 27 HE ARG 27 -7.437 -4.929 9.271 185 HH11 ARG 27 2HH1 ARG 27 -7.368 -4.551 12.731 186 HH12 ARG 27 1HH1 ARG 27 -8.954 -5.208 12.965 187 HH21 ARG 27 2HH2 ARG 27 -9.526 -5.795 9.567 188 HH22 ARG 27 1HH2 ARG 27 -10.180 -5.916 11.165 189 H ALA 28 H ALA 28 -2.148 -1.231 11.309 190 HA ALA 28 HA ALA 28 0.432 -0.673 10.428 191 HB1 ALA 28 1HB ALA 28 0.954 -1.236 12.963 192 HB2 ALA 28 2HB ALA 28 0.069 0.216 12.493 193 HB3 ALA 28 3HB ALA 28 -0.806 -1.201 13.073 194 H GLY 29 H GLY 29 1.897 -1.984 9.569 195 HA2 GLY 29 1HA GLY 29 3.437 -3.769 9.673 196 HA3 GLY 29 2HA GLY 29 2.366 -4.596 10.794 197 H ASP 30 H ASP 30 1.494 -3.204 7.669 198 HA ASP 30 HA ASP 30 0.838 -5.924 6.744 199 HB2 ASP 30 1HB ASP 30 -0.539 -3.287 6.266 200 HB3 ASP 30 2HB ASP 30 -0.822 -4.684 5.231 201 H LYS 31 H LYS 31 2.284 -6.602 5.313 202 HA LYS 31 HA LYS 31 4.075 -4.982 3.901 203 HB2 LYS 31 1HB LYS 31 3.145 -7.818 3.514 204 HB3 LYS 31 2HB LYS 31 4.313 -7.082 2.425 205 HG2 LYS 31 1HG LYS 31 4.711 -7.199 5.401 206 HG3 LYS 31 2HG LYS 31 5.259 -8.467 4.303 207 HD2 LYS 31 1HD LYS 31 6.347 -6.420 3.040 208 HD3 LYS 31 2HD LYS 31 6.246 -5.677 4.638 209 HE2 LYS 31 1HE LYS 31 8.320 -6.652 4.749 210 HE3 LYS 31 2HE LYS 31 7.318 -7.941 5.412 211 HZ1 LYS 31 1HZ LYS 31 7.305 -8.381 2.715 212 HZ2 LYS 31 2HZ LYS 31 8.215 -9.230 3.861 213 HZ3 LYS 31 3HZ LYS 31 8.901 -7.921 3.038 214 H LEU 32 H LEU 32 3.727 -3.635 2.274 215 HA LEU 32 HA LEU 32 1.729 -4.336 0.243 216 HB2 LEU 32 1HB LEU 32 2.014 -1.621 1.523 217 HB3 LEU 32 2HB LEU 32 0.956 -2.011 0.168 218 HG LEU 32 HG LEU 32 0.620 -3.469 2.753 219 HD11 LEU 32 1HD1 LEU 32 -1.180 -1.306 2.730 220 HD12 LEU 32 2HD1 LEU 32 0.430 -0.631 2.483 221 HD13 LEU 32 3HD1 LEU 32 0.105 -1.640 3.892 222 HD21 LEU 32 1HD2 LEU 32 -1.625 -2.491 1.098 223 HD22 LEU 32 2HD2 LEU 32 -1.408 -4.035 1.922 224 HD23 LEU 32 3HD2 LEU 32 -0.598 -3.735 0.384 225 H GLN 33 H GLN 33 2.398 -4.020 -1.795 226 HA GLN 33 HA GLN 33 5.057 -2.875 -2.182 227 HB2 GLN 33 1HB GLN 33 4.466 -5.136 -3.099 228 HB3 GLN 33 2HB GLN 33 3.336 -4.340 -4.186 229 HG2 GLN 33 1HG GLN 33 5.272 -3.015 -5.070 230 HG3 GLN 33 2HG GLN 33 6.327 -4.064 -4.124 231 HE21 GLN 33 1HE2 GLN 33 4.774 -3.629 -7.054 232 HE22 GLN 33 2HE2 GLN 33 4.997 -5.213 -7.707 233 H VAL 34 H VAL 34 5.306 -0.868 -2.885 234 HA VAL 34 HA VAL 34 3.061 0.688 -3.772 235 HB VAL 34 HB VAL 34 5.992 1.414 -3.652 236 HG11 VAL 34 1HG1 VAL 34 4.930 2.887 -5.184 237 HG12 VAL 34 2HG1 VAL 34 3.528 3.078 -4.129 238 HG13 VAL 34 3HG1 VAL 34 5.085 3.760 -3.659 239 HG21 VAL 34 1HG2 VAL 34 4.614 0.797 -1.512 240 HG22 VAL 34 2HG2 VAL 34 5.669 2.209 -1.517 241 HG23 VAL 34 3HG2 VAL 34 3.931 2.408 -1.737 242 H LEU 35 H LEU 35 2.403 1.009 -5.793 243 HA LEU 35 HA LEU 35 4.099 0.049 -7.984 244 HB2 LEU 35 1HB LEU 35 1.181 0.787 -8.067 245 HB3 LEU 35 2HB LEU 35 2.101 -0.059 -9.309 246 HG LEU 35 HG LEU 35 1.742 -1.252 -6.582 247 HD11 LEU 35 1HD1 LEU 35 -0.137 -1.684 -8.892 248 HD12 LEU 35 2HD1 LEU 35 -0.484 -0.607 -7.539 249 HD13 LEU 35 3HD1 LEU 35 -0.262 -2.333 -7.256 250 HD21 LEU 35 1HD2 LEU 35 1.693 -3.230 -8.472 251 HD22 LEU 35 2HD2 LEU 35 3.116 -2.716 -7.567 252 HD23 LEU 35 3HD2 LEU 35 2.811 -2.062 -9.176 253 H ASP 36 H ASP 36 1.865 2.751 -7.322 254 HA ASP 36 HA ASP 36 3.380 4.382 -9.239 255 HB2 ASP 36 1HB ASP 36 0.778 4.029 -9.301 256 HB3 ASP 36 2HB ASP 36 0.779 5.257 -8.038 257 H THR 37 H THR 37 4.573 6.058 -8.583 258 HA THR 37 HA THR 37 4.180 7.096 -5.861 259 HB THR 37 HB THR 37 6.654 7.284 -5.614 260 HG1 THR 37 1HG THR 37 6.955 5.367 -7.650 261 HG21 THR 37 1HG2 THR 37 5.015 5.014 -5.297 262 HG22 THR 37 2HG2 THR 37 6.512 5.392 -4.445 263 HG23 THR 37 3HG2 THR 37 6.557 4.435 -5.925 264 H SER 38 H SER 38 3.207 8.263 -8.212 265 HA SER 38 HA SER 38 5.061 10.423 -8.864 266 HB2 SER 38 1HB SER 38 2.566 9.338 -10.083 267 HB3 SER 38 2HB SER 38 2.938 11.040 -10.352 268 HG SER 38 HG SER 38 3.911 9.893 -11.978 269 H HIS 39 H HIS 39 1.627 10.161 -7.925 270 HA HIS 39 HA HIS 39 1.342 12.874 -7.227 271 HB2 HIS 39 1HB HIS 39 -0.430 10.945 -7.622 272 HB3 HIS 39 2HB HIS 39 -0.315 10.792 -5.872 273 HD1 HIS 39 1HD HIS 39 -1.826 12.267 -4.583 274 HD2 HIS 39 2HD HIS 39 -1.118 13.733 -8.406 275 HE1 HIS 39 1HE HIS 39 -3.291 14.299 -4.806 276 HE2 HIS 39 2HE HIS 39 -2.910 15.119 -7.157 277 H GLU 40 H GLU 40 2.990 13.552 -5.881 278 HA GLU 40 HA GLU 40 4.097 12.361 -3.700 279 HB2 GLU 40 1HB GLU 40 4.837 14.528 -4.554 280 HB3 GLU 40 2HB GLU 40 3.360 15.281 -3.969 281 HG2 GLU 40 1HG GLU 40 4.135 14.376 -1.658 282 HG3 GLU 40 2HG GLU 40 5.716 14.293 -2.433 283 H GLY 41 H GLY 41 3.351 11.574 -1.849 284 HA2 GLY 41 1HA GLY 41 2.191 11.959 0.243 285 HA3 GLY 41 2HA GLY 41 0.948 12.807 -0.665 286 H TRP 42 H TRP 42 -0.016 11.313 -2.485 287 HA TRP 42 HA TRP 42 -0.874 8.872 -1.107 288 HB2 TRP 42 1HB TRP 42 -2.120 10.433 -3.377 289 HB3 TRP 42 2HB TRP 42 -2.758 8.910 -2.763 290 HD1 TRP 42 HD TRP 42 -2.449 12.607 -1.869 291 HE1 TRP 42 1HE TRP 42 -4.006 13.111 0.118 292 HE3 TRP 42 3HE TRP 42 -3.847 7.830 -0.699 293 HZ2 TRP 42 2HZ TRP 42 -5.614 11.675 1.940 294 HZ3 TRP 42 3HZ TRP 42 -5.397 7.482 1.180 295 HH2 TRP 42 HH TRP 42 -6.260 9.365 2.471 296 H TRP 43 H TRP 43 -0.045 6.999 -1.726 297 HA TRP 43 HA TRP 43 1.006 6.762 -4.468 298 HB2 TRP 43 1HB TRP 43 1.826 5.379 -1.910 299 HB3 TRP 43 2HB TRP 43 2.382 4.869 -3.502 300 HD1 TRP 43 HD TRP 43 2.497 8.230 -4.251 301 HE1 TRP 43 1HE TRP 43 4.694 9.397 -3.591 302 HE3 TRP 43 3HE TRP 43 4.262 4.800 -0.897 303 HZ2 TRP 43 2HZ TRP 43 6.886 8.926 -1.876 304 HZ3 TRP 43 3HZ TRP 43 6.417 5.233 0.210 305 HH2 TRP 43 HH TRP 43 7.700 7.254 -0.271 306 H LEU 44 H LEU 44 0.730 4.736 -5.564 307 HA LEU 44 HA LEU 44 -1.769 3.404 -4.796 308 HB2 LEU 44 1HB LEU 44 -1.808 4.383 -6.990 309 HB3 LEU 44 2HB LEU 44 -0.309 3.565 -7.426 310 HG LEU 44 HG LEU 44 -1.528 1.392 -7.240 311 HD11 LEU 44 1HD1 LEU 44 -3.856 3.247 -6.827 312 HD12 LEU 44 2HD1 LEU 44 -3.339 1.897 -5.818 313 HD13 LEU 44 3HD1 LEU 44 -4.043 1.592 -7.406 314 HD21 LEU 44 1HD2 LEU 44 -1.182 2.226 -9.417 315 HD22 LEU 44 2HD2 LEU 44 -2.410 3.477 -9.220 316 HD23 LEU 44 3HD2 LEU 44 -2.888 1.784 -9.344 317 H ALA 45 H ALA 45 -1.273 1.740 -3.479 318 HA ALA 45 HA ALA 45 0.801 -0.147 -4.385 319 HB1 ALA 45 1HB ALA 45 0.135 0.930 -1.744 320 HB2 ALA 45 2HB ALA 45 0.375 -0.817 -1.780 321 HB3 ALA 45 3HB ALA 45 1.650 0.261 -2.350 322 H ARG 46 H ARG 46 0.375 -2.441 -3.578 323 HA ARG 46 HA ARG 46 -2.493 -3.078 -3.750 324 HB2 ARG 46 1HB ARG 46 -2.042 -4.925 -5.223 325 HB3 ARG 46 2HB ARG 46 -1.333 -3.475 -5.921 326 HG2 ARG 46 1HG ARG 46 0.867 -4.155 -5.106 327 HG3 ARG 46 2HG ARG 46 0.155 -5.608 -4.402 328 HD2 ARG 46 1HD ARG 46 -0.695 -6.088 -6.782 329 HD3 ARG 46 2HD ARG 46 0.485 -4.881 -7.293 330 HE ARG 46 HE ARG 46 1.715 -6.793 -5.618 331 HH11 ARG 46 2HH1 ARG 46 0.425 -6.408 -8.828 332 HH12 ARG 46 1HH1 ARG 46 1.462 -7.606 -9.530 333 HH21 ARG 46 2HH2 ARG 46 3.086 -8.372 -6.529 334 HH22 ARG 46 1HH2 ARG 46 2.975 -8.723 -8.221 335 H HIS 47 H HIS 47 -3.124 -5.074 -2.768 336 HA HIS 47 HA HIS 47 -1.688 -5.618 -0.349 337 HB2 HIS 47 1HB HIS 47 -4.271 -6.478 -1.551 338 HB3 HIS 47 2HB HIS 47 -3.563 -7.522 -0.322 339 HD1 HIS 47 1HD HIS 47 -3.030 -6.256 2.029 340 HD2 HIS 47 2HD HIS 47 -5.684 -4.381 -0.560 341 HE1 HIS 47 1HE HIS 47 -4.275 -4.586 3.437 342 HE2 HIS 47 2HE HIS 47 -5.934 -3.523 1.868 343 H LEU 48 H LEU 48 -0.218 -7.145 0.022 344 HA LEU 48 HA LEU 48 0.463 -8.986 -2.124 345 HB2 LEU 48 1HB LEU 48 1.802 -8.332 0.493 346 HB3 LEU 48 2HB LEU 48 2.409 -9.531 -0.648 347 HG LEU 48 HG LEU 48 2.056 -6.614 -1.321 348 HD11 LEU 48 1HD1 LEU 48 4.761 -7.706 -0.962 349 HD12 LEU 48 2HD1 LEU 48 3.825 -7.498 0.517 350 HD13 LEU 48 3HD1 LEU 48 4.108 -6.121 -0.547 351 HD21 LEU 48 1HD2 LEU 48 3.906 -7.490 -3.007 352 HD22 LEU 48 2HD2 LEU 48 2.183 -7.623 -3.357 353 HD23 LEU 48 3HD2 LEU 48 3.068 -9.018 -2.736 354 H GLU 49 H GLU 49 -0.595 -9.073 1.248 355 HA GLU 49 HA GLU 49 -0.406 -11.762 1.795 356 HB2 GLU 49 1HB GLU 49 -2.439 -9.707 2.633 357 HB3 GLU 49 2HB GLU 49 -2.514 -11.364 3.216 358 HG2 GLU 49 1HG GLU 49 -1.383 -10.185 4.881 359 HG3 GLU 49 2HG GLU 49 -0.123 -11.042 3.996 360 H LYS 50 H LYS 50 -1.470 -13.575 1.235 361 HA LYS 50 HA LYS 50 -3.575 -13.314 -0.797 362 HB2 LYS 50 1HB LYS 50 -1.378 -14.653 -1.159 363 HB3 LYS 50 2HB LYS 50 -2.141 -15.872 -0.147 364 HG2 LYS 50 1HG LYS 50 -4.111 -15.704 -1.786 365 HG3 LYS 50 2HG LYS 50 -2.965 -14.889 -2.852 366 HD2 LYS 50 1HD LYS 50 -1.506 -16.807 -2.827 367 HD3 LYS 50 2HD LYS 50 -2.521 -17.610 -1.626 368 HE2 LYS 50 1HE LYS 50 -3.031 -18.563 -3.750 369 HE3 LYS 50 2HE LYS 50 -4.391 -17.541 -3.287 370 HZ1 LYS 50 1HZ LYS 50 -2.854 -15.830 -4.670 371 HZ2 LYS 50 2HZ LYS 50 -4.139 -16.707 -5.333 372 HZ3 LYS 50 3HZ LYS 50 -2.555 -17.274 -5.500 373 H LYS 51 H LYS 51 -2.761 -15.023 2.195 374 HA LYS 51 HA LYS 51 -4.761 -16.730 2.636 375 HB2 LYS 51 1HB LYS 51 -3.734 -14.643 4.561 376 HB3 LYS 51 2HB LYS 51 -4.789 -15.964 5.046 377 HG2 LYS 51 1HG LYS 51 -3.095 -17.570 4.250 378 HG3 LYS 51 2HG LYS 51 -2.030 -16.215 3.865 379 HD2 LYS 51 1HD LYS 51 -1.655 -15.708 6.083 380 HD3 LYS 51 2HD LYS 51 -3.167 -16.446 6.616 381 HE2 LYS 51 1HE LYS 51 -2.150 -18.669 5.941 382 HE3 LYS 51 2HE LYS 51 -0.617 -17.813 5.790 383 HZ1 LYS 51 1HZ LYS 51 -1.976 -17.317 8.276 384 HZ2 LYS 51 2HZ LYS 51 -0.364 -17.740 7.992 385 HZ3 LYS 51 3HZ LYS 51 -1.554 -18.940 8.058 386 H GLY 52 H GLY 52 -5.101 -13.208 2.884 387 HA2 GLY 52 1HA GLY 52 -7.548 -12.835 1.861 388 HA3 GLY 52 2HA GLY 52 -7.938 -13.439 3.465 389 H THR 53 H THR 53 -9.001 -11.217 3.399 390 HA THR 53 HA THR 53 -7.073 -9.196 4.345 391 HB THR 53 HB THR 53 -8.707 -7.471 3.640 392 HG1 THR 53 1HG THR 53 -10.566 -8.023 2.688 393 HG21 THR 53 1HG2 THR 53 -6.861 -8.078 2.153 394 HG22 THR 53 2HG2 THR 53 -8.304 -7.658 1.229 395 HG23 THR 53 3HG2 THR 53 -7.850 -9.350 1.436 396 H GLY 54 H GLY 54 -8.272 -7.480 5.746 397 HA2 GLY 54 1HA GLY 54 -9.755 -8.988 7.795 398 HA3 GLY 54 2HA GLY 54 -8.817 -7.530 8.086 399 H LEU 55 H LEU 55 -9.656 -5.583 6.740 400 HA LEU 55 HA LEU 55 -12.584 -5.603 6.599 401 HB2 LEU 55 1HB LEU 55 -11.579 -4.707 8.822 402 HB3 LEU 55 2HB LEU 55 -11.166 -3.290 7.859 403 HG LEU 55 HG LEU 55 -13.165 -2.647 8.790 404 HD11 LEU 55 1HD1 LEU 55 -13.202 -2.682 6.247 405 HD12 LEU 55 2HD1 LEU 55 -14.754 -2.536 7.070 406 HD13 LEU 55 3HD1 LEU 55 -14.258 -4.087 6.393 407 HD21 LEU 55 1HD2 LEU 55 -15.145 -4.280 8.868 408 HD22 LEU 55 2HD2 LEU 55 -13.831 -4.512 10.021 409 HD23 LEU 55 3HD2 LEU 55 -13.939 -5.537 8.589 410 H GLY 56 H GLY 56 -13.045 -5.047 4.576 411 HA2 GLY 56 1HA GLY 56 -13.215 -3.086 3.089 412 HA3 GLY 56 2HA GLY 56 -11.496 -2.842 3.363 413 H GLN 57 H GLN 57 -13.800 -4.177 1.325 414 HA GLN 57 HA GLN 57 -12.157 -6.275 0.229 415 HB2 GLN 57 1HB GLN 57 -14.857 -5.152 -0.339 416 HB3 GLN 57 2HB GLN 57 -14.046 -6.033 -1.627 417 HG2 GLN 57 1HG GLN 57 -14.464 -7.153 1.130 418 HG3 GLN 57 2HG GLN 57 -15.602 -7.379 -0.197 419 HE21 GLN 57 1HE2 GLN 57 -14.935 -8.581 -2.024 420 HE22 GLN 57 2HE2 GLN 57 -13.646 -9.725 -1.913 421 H GLN 58 H GLN 58 -10.291 -4.858 -0.170 422 HA GLN 58 HA GLN 58 -10.341 -3.901 -2.904 423 HB2 GLN 58 1HB GLN 58 -10.938 -1.980 -1.252 424 HB3 GLN 58 2HB GLN 58 -9.228 -2.023 -0.845 425 HG2 GLN 58 1HG GLN 58 -9.538 -0.338 -2.483 426 HG3 GLN 58 2HG GLN 58 -8.718 -1.692 -3.260 427 HE21 GLN 58 1HE2 GLN 58 -9.964 -3.087 -4.617 428 HE22 GLN 58 2HE2 GLN 58 -11.378 -2.491 -5.411 429 H LEU 59 H LEU 59 -8.470 -4.319 -3.919 430 HA LEU 59 HA LEU 59 -6.254 -5.339 -2.289 431 HB2 LEU 59 1HB LEU 59 -5.517 -6.518 -4.223 432 HB3 LEU 59 2HB LEU 59 -7.246 -6.801 -4.034 433 HG LEU 59 HG LEU 59 -6.165 -4.740 -5.937 434 HD11 LEU 59 1HD1 LEU 59 -6.801 -7.619 -6.563 435 HD12 LEU 59 2HD1 LEU 59 -5.179 -6.933 -6.477 436 HD13 LEU 59 3HD1 LEU 59 -6.308 -6.373 -7.710 437 HD21 LEU 59 1HD2 LEU 59 -8.347 -4.293 -6.054 438 HD22 LEU 59 2HD2 LEU 59 -8.781 -5.760 -5.176 439 HD23 LEU 59 3HD2 LEU 59 -8.499 -5.825 -6.916 440 H GLN 60 H GLN 60 -6.992 -3.085 -4.909 441 HA GLN 60 HA GLN 60 -4.381 -1.806 -4.431 442 HB2 GLN 60 1HB GLN 60 -5.747 -2.528 -6.972 443 HB3 GLN 60 2HB GLN 60 -4.868 -1.005 -6.933 444 HG2 GLN 60 1HG GLN 60 -2.839 -2.170 -6.282 445 HG3 GLN 60 2HG GLN 60 -3.711 -3.702 -6.263 446 HE21 GLN 60 1HE2 GLN 60 -2.746 -1.028 -8.347 447 HE22 GLN 60 2HE2 GLN 60 -2.673 -1.953 -9.804 448 H GLY 61 H GLY 61 -4.322 0.424 -4.341 449 HA2 GLY 61 1HA GLY 61 -6.339 2.184 -5.123 450 HA3 GLY 61 2HA GLY 61 -6.669 1.728 -3.458 451 H TYR 62 H TYR 62 -6.345 4.205 -3.443 452 HA TYR 62 HA TYR 62 -3.564 5.028 -3.401 453 HB2 TYR 62 1HB TYR 62 -6.166 6.485 -2.963 454 HB3 TYR 62 2HB TYR 62 -4.605 7.252 -2.688 455 HD1 TYR 62 2HD TYR 62 -2.919 6.604 -4.822 456 HD2 TYR 62 1HD TYR 62 -7.139 7.140 -4.940 457 HE1 TYR 62 2HE TYR 62 -2.774 7.172 -7.210 458 HE2 TYR 62 1HE TYR 62 -7.005 7.708 -7.329 459 HH TYR 62 HH TYR 62 -4.227 8.551 -8.866 460 H ILE 63 H ILE 63 -2.339 5.366 -1.631 461 HA ILE 63 HA ILE 63 -3.598 5.277 1.012 462 HB ILE 63 HB ILE 63 -1.954 3.709 1.872 463 HG12 ILE 63 1HG1 ILE 63 -1.023 3.281 -0.968 464 HG13 ILE 63 2HG1 ILE 63 -0.194 4.355 0.154 465 HG21 ILE 63 1HG2 ILE 63 -2.630 1.769 0.103 466 HG22 ILE 63 2HG2 ILE 63 -3.690 2.373 1.375 467 HG23 ILE 63 3HG2 ILE 63 -3.835 3.002 -0.267 468 HD11 ILE 63 1HD1 ILE 63 0.977 2.334 0.242 469 HD12 ILE 63 2HD1 ILE 63 -0.022 2.344 1.696 470 HD13 ILE 63 3HD1 ILE 63 -0.504 1.379 0.301 471 HA PRO 64 HA PRO 64 -0.829 8.594 1.852 472 HB2 PRO 64 1HB PRO 64 -0.808 8.463 4.564 473 HB3 PRO 64 2HB PRO 64 -2.187 9.075 3.643 474 HG2 PRO 64 1HG PRO 64 -1.767 6.369 4.854 475 HG3 PRO 64 2HG PRO 64 -3.225 7.379 4.850 476 HD2 PRO 64 1HD PRO 64 -2.890 5.298 3.151 477 HD3 PRO 64 2HD PRO 64 -3.805 6.754 2.709 478 H SER 65 H SER 65 1.326 8.807 1.920 479 HA SER 65 HA SER 65 2.981 6.514 2.334 480 HB2 SER 65 1HB SER 65 3.661 8.076 0.650 481 HB3 SER 65 2HB SER 65 3.617 9.419 1.793 482 HG SER 65 HG SER 65 5.325 8.284 2.939 483 H ASN 66 H ASN 66 2.467 9.557 4.084 484 HA ASN 66 HA ASN 66 4.370 9.299 6.066 485 HB2 ASN 66 1HB ASN 66 2.959 11.300 5.754 486 HB3 ASN 66 2HB ASN 66 1.572 10.411 6.377 487 HD21 ASN 66 1HD2 ASN 66 1.728 12.422 7.786 488 HD22 ASN 66 2HD2 ASN 66 2.621 12.250 9.256 489 H TYR 67 H TYR 67 1.648 7.341 5.503 490 HA TYR 67 HA TYR 67 1.428 6.401 8.239 491 HB2 TYR 67 1HB TYR 67 -0.012 5.784 5.676 492 HB3 TYR 67 2HB TYR 67 -0.188 4.729 7.075 493 HD1 TYR 67 1HD TYR 67 -0.170 8.429 6.489 494 HD2 TYR 67 2HD TYR 67 -2.123 5.089 8.261 495 HE1 TYR 67 1HE TYR 67 -1.899 9.927 7.393 496 HE2 TYR 67 2HE TYR 67 -3.858 6.578 9.168 497 HH TYR 67 HH TYR 67 -4.549 8.673 9.400 498 H VAL 68 H VAL 68 2.871 5.422 5.215 499 HA VAL 68 HA VAL 68 3.785 2.915 6.457 500 HB VAL 68 HB VAL 68 4.150 2.021 4.274 501 HG11 VAL 68 1HG1 VAL 68 1.907 2.069 3.328 502 HG12 VAL 68 2HG1 VAL 68 1.839 1.971 5.089 503 HG13 VAL 68 3HG1 VAL 68 1.523 3.505 4.278 504 HG21 VAL 68 1HG2 VAL 68 5.056 4.026 3.215 505 HG22 VAL 68 2HG2 VAL 68 3.783 3.309 2.227 506 HG23 VAL 68 3HG2 VAL 68 3.447 4.748 3.190 507 H ALA 69 H ALA 69 5.996 2.205 5.504 508 HA ALA 69 HA ALA 69 7.826 4.428 5.075 509 HB1 ALA 69 1HB ALA 69 9.295 3.164 6.922 510 HB2 ALA 69 2HB ALA 69 8.225 4.514 7.300 511 HB3 ALA 69 3HB ALA 69 7.685 2.858 7.573 512 H GLU 70 H GLU 70 10.178 3.436 4.956 513 HA GLU 70 HA GLU 70 10.050 1.432 2.889 514 HB2 GLU 70 1HB GLU 70 11.609 3.486 2.991 515 HB3 GLU 70 2HB GLU 70 12.581 2.521 4.094 516 HG2 GLU 70 1HG GLU 70 12.535 0.741 2.241 517 HG3 GLU 70 2HG GLU 70 12.014 2.060 1.195 518 H ASP 71 H ASP 71 9.686 -0.596 3.561 519 HA ASP 71 HA ASP 71 11.018 -1.598 5.957 520 HB2 ASP 71 1HB ASP 71 8.511 -1.989 5.196 521 HB3 ASP 71 2HB ASP 71 9.235 -3.311 4.284 522 H SER 72 H SER 72 12.378 -3.399 5.968 523 HA SER 72 HA SER 72 13.778 -3.837 3.438 524 HB2 SER 72 1HB SER 72 15.591 -4.739 4.792 525 HB3 SER 72 2HB SER 72 15.092 -3.177 5.440 526 HG SER 72 HG SER 72 15.384 -5.116 6.917 527 H GLY 73 H GLY 73 12.831 -5.408 2.274 528 HA2 GLY 73 1HA GLY 73 11.958 -7.852 3.660 529 HA3 GLY 73 2HA GLY 73 11.447 -7.350 2.055 530 HA PRO 74 HA PRO 74 15.249 -10.288 2.084 531 HB2 PRO 74 1HB PRO 74 14.013 -12.694 1.858 532 HB3 PRO 74 2HB PRO 74 14.455 -11.984 3.415 533 HG2 PRO 74 1HG PRO 74 11.802 -12.007 2.029 534 HG3 PRO 74 2HG PRO 74 12.173 -12.285 3.741 535 HD2 PRO 74 1HD PRO 74 11.234 -9.918 2.820 536 HD3 PRO 74 2HD PRO 74 12.345 -10.033 4.199 537 H SER 75 H SER 75 16.074 -11.158 0.188 538 HA SER 75 HA SER 75 14.697 -10.427 -2.220 539 HB2 SER 75 1HB SER 75 17.281 -10.455 -1.660 540 HB3 SER 75 2HB SER 75 17.170 -12.109 -2.262 541 HG SER 75 HG SER 75 17.661 -10.636 -3.935 542 H SER 76 H SER 76 14.838 -12.098 -4.107 543 HA SER 76 HA SER 76 13.097 -14.255 -3.393 544 HB2 SER 76 1HB SER 76 13.244 -14.813 -5.840 545 HB3 SER 76 2HB SER 76 12.738 -13.157 -5.506 546 HG SER 76 HG SER 76 15.311 -14.050 -6.298 547 H GLY 77 H GLY 77 13.471 -16.505 -3.793 548 HA2 GLY 77 1HA GLY 77 15.257 -18.127 -4.561 549 HA3 GLY 77 2HA GLY 77 16.316 -17.233 -3.480 Start of MODEL 13 1 H1 GLY 1 H GLY 1 4.315 -16.002 -12.527 2 HA2 GLY 1 1HA GLY 1 5.004 -17.727 -10.377 3 HA3 GLY 1 2HA GLY 1 6.116 -17.052 -11.558 4 H SER 2 H SER 2 4.041 -15.550 -9.085 5 HA SER 2 HA SER 2 4.529 -13.811 -7.658 6 HB2 SER 2 1HB SER 2 6.490 -15.999 -7.012 7 HB3 SER 2 2HB SER 2 6.450 -14.512 -6.065 8 HG SER 2 HG SER 2 4.367 -14.960 -5.461 9 H SER 3 H SER 3 5.557 -13.237 -10.170 10 HA SER 3 HA SER 3 8.266 -12.229 -9.721 11 HB2 SER 3 1HB SER 3 7.921 -13.400 -11.821 12 HB3 SER 3 2HB SER 3 6.568 -12.343 -12.225 13 HG SER 3 HG SER 3 9.193 -11.959 -12.641 14 H GLY 4 H GLY 4 8.813 -10.047 -9.930 15 HA2 GLY 4 1HA GLY 4 7.114 -7.963 -10.659 16 HA3 GLY 4 2HA GLY 4 6.905 -8.209 -8.932 17 H SER 5 H SER 5 9.468 -7.788 -11.365 18 HA SER 5 HA SER 5 11.385 -6.894 -9.447 19 HB2 SER 5 1HB SER 5 11.279 -7.136 -12.416 20 HB3 SER 5 2HB SER 5 12.485 -6.051 -11.724 21 HG SER 5 HG SER 5 12.220 -8.618 -10.645 22 H SER 6 H SER 6 12.445 -4.746 -9.583 23 HA SER 6 HA SER 6 12.355 -2.488 -9.322 24 HB2 SER 6 1HB SER 6 12.069 -2.591 -11.795 25 HB3 SER 6 2HB SER 6 10.321 -2.602 -11.562 26 HG SER 6 HG SER 6 11.841 -0.505 -11.770 27 H GLY 7 H GLY 7 10.637 -4.099 -7.690 28 HA2 GLY 7 1HA GLY 7 8.392 -2.221 -7.271 29 HA3 GLY 7 2HA GLY 7 8.300 -3.939 -6.912 30 H GLN 8 H GLN 8 8.546 -1.011 -5.515 31 HA GLN 8 HA GLN 8 10.361 -1.820 -3.375 32 HB2 GLN 8 1HB GLN 8 8.902 0.795 -3.788 33 HB3 GLN 8 2HB GLN 8 10.131 0.479 -2.570 34 HG2 GLN 8 1HG GLN 8 11.844 0.541 -4.075 35 HG3 GLN 8 2HG GLN 8 10.827 0.032 -5.421 36 HE21 GLN 8 1HE2 GLN 8 12.712 2.302 -5.084 37 HE22 GLN 8 2HE2 GLN 8 11.797 3.710 -5.491 38 H TYR 9 H TYR 9 9.671 -2.626 -1.506 39 HA TYR 9 HA TYR 9 6.800 -2.740 -1.004 40 HB2 TYR 9 1HB TYR 9 8.895 -4.053 0.704 41 HB3 TYR 9 2HB TYR 9 7.228 -4.545 0.429 42 HD1 TYR 9 2HD TYR 9 6.656 -5.229 -2.041 43 HD2 TYR 9 1HD TYR 9 10.591 -5.154 -0.425 44 HE1 TYR 9 2HE TYR 9 7.400 -6.786 -3.794 45 HE2 TYR 9 1HE TYR 9 11.346 -6.709 -2.174 46 HH TYR 9 HH TYR 9 9.840 -8.607 -3.723 47 H PHE 10 H PHE 10 5.831 -2.037 0.902 48 HA PHE 10 HA PHE 10 7.472 -0.389 2.694 49 HB2 PHE 10 1HB PHE 10 4.965 0.447 1.247 50 HB3 PHE 10 2HB PHE 10 5.494 1.246 2.724 51 HD1 PHE 10 1HD PHE 10 6.825 0.234 -0.609 52 HD2 PHE 10 2HD PHE 10 6.839 3.098 2.540 53 HE1 PHE 10 1HE PHE 10 8.317 1.675 -1.932 54 HE2 PHE 10 2HE PHE 10 8.331 4.544 1.222 55 HZ PHE 10 HZ PHE 10 9.071 3.834 -1.017 56 H VAL 11 H VAL 11 6.668 -0.159 4.811 57 HA VAL 11 HA VAL 11 4.620 -2.153 5.526 58 HB VAL 11 HB VAL 11 6.808 -2.689 6.452 59 HG11 VAL 11 1HG1 VAL 11 7.651 -0.343 6.480 60 HG12 VAL 11 2HG1 VAL 11 6.673 -0.061 7.922 61 HG13 VAL 11 3HG1 VAL 11 7.981 -1.243 7.959 62 HG21 VAL 11 1HG2 VAL 11 6.183 -2.816 8.831 63 HG22 VAL 11 2HG2 VAL 11 4.861 -1.690 8.529 64 HG23 VAL 11 3HG2 VAL 11 4.856 -3.279 7.766 65 H ALA 12 H ALA 12 2.900 -1.571 6.753 66 HA ALA 12 HA ALA 12 2.339 1.242 7.007 67 HB1 ALA 12 1HB ALA 12 0.358 0.298 6.529 68 HB2 ALA 12 2HB ALA 12 0.824 -1.265 7.200 69 HB3 ALA 12 3HB ALA 12 0.270 0.024 8.269 70 H LEU 13 H LEU 13 2.900 2.446 8.687 71 HA LEU 13 HA LEU 13 3.856 1.251 11.126 72 HB2 LEU 13 1HB LEU 13 3.440 4.145 10.388 73 HB3 LEU 13 2HB LEU 13 4.277 3.566 11.827 74 HG LEU 13 HG LEU 13 5.265 2.763 9.123 75 HD11 LEU 13 1HD1 LEU 13 6.824 4.842 9.495 76 HD12 LEU 13 2HD1 LEU 13 5.418 5.468 10.356 77 HD13 LEU 13 3HD1 LEU 13 5.278 5.004 8.660 78 HD21 LEU 13 1HD2 LEU 13 6.819 1.820 10.395 79 HD22 LEU 13 2HD2 LEU 13 6.109 2.521 11.849 80 HD23 LEU 13 3HD2 LEU 13 7.313 3.426 10.931 81 H PHE 14 H PHE 14 0.950 2.836 10.022 82 HA PHE 14 HA PHE 14 -0.323 2.184 12.576 83 HB2 PHE 14 1HB PHE 14 -0.906 4.813 11.235 84 HB3 PHE 14 2HB PHE 14 -1.284 4.310 12.880 85 HD1 PHE 14 2HD PHE 14 1.358 5.496 10.630 86 HD2 PHE 14 1HD PHE 14 0.336 4.475 14.634 87 HE1 PHE 14 2HE PHE 14 3.421 6.573 11.427 88 HE2 PHE 14 1HE PHE 14 2.398 5.551 15.438 89 HZ PHE 14 HZ PHE 14 3.944 6.601 13.833 90 H ASP 15 H ASP 15 -2.556 1.796 12.453 91 HA ASP 15 HA ASP 15 -3.451 0.610 10.065 92 HB2 ASP 15 1HB ASP 15 -5.745 0.761 11.313 93 HB3 ASP 15 2HB ASP 15 -4.469 -0.270 11.954 94 H TYR 16 H TYR 16 -5.198 1.209 8.686 95 HA TYR 16 HA TYR 16 -6.089 3.977 8.744 96 HB2 TYR 16 1HB TYR 16 -4.110 4.258 7.446 97 HB3 TYR 16 2HB TYR 16 -4.438 2.807 6.505 98 HD1 TYR 16 1HD TYR 16 -6.267 2.817 4.821 99 HD2 TYR 16 2HD TYR 16 -5.068 6.357 6.853 100 HE1 TYR 16 1HE TYR 16 -7.407 4.174 3.116 101 HE2 TYR 16 2HE TYR 16 -6.206 7.724 5.154 102 HH TYR 16 HH TYR 16 -7.640 6.271 2.285 103 H GLN 17 H GLN 17 -7.927 4.378 7.438 104 HA GLN 17 HA GLN 17 -9.203 1.986 6.301 105 HB2 GLN 17 1HB GLN 17 -11.346 2.660 7.246 106 HB3 GLN 17 2HB GLN 17 -10.159 2.426 8.522 107 HG2 GLN 17 1HG GLN 17 -9.812 5.022 8.184 108 HG3 GLN 17 2HG GLN 17 -11.460 4.914 7.569 109 HE21 GLN 17 1HE2 GLN 17 -9.591 5.317 10.278 110 HE22 GLN 17 2HE2 GLN 17 -10.778 4.973 11.485 111 H ALA 18 H ALA 18 -9.764 2.276 4.255 112 HA ALA 18 HA ALA 18 -9.350 4.495 2.729 113 HB1 ALA 18 1HB ALA 18 -9.991 3.084 1.144 114 HB2 ALA 18 2HB ALA 18 -10.619 1.988 2.375 115 HB3 ALA 18 3HB ALA 18 -11.666 3.224 1.678 116 H ARG 19 H ARG 19 -9.994 6.465 3.452 117 HA ARG 19 HA ARG 19 -12.598 6.957 4.523 118 HB2 ARG 19 1HB ARG 19 -10.442 8.860 3.588 119 HB3 ARG 19 2HB ARG 19 -11.909 9.347 4.427 120 HG2 ARG 19 1HG ARG 19 -11.086 7.641 6.231 121 HG3 ARG 19 2HG ARG 19 -9.519 7.909 5.465 122 HD2 ARG 19 1HD ARG 19 -11.313 10.102 6.494 123 HD3 ARG 19 2HD ARG 19 -9.973 9.405 7.403 124 HE ARG 19 HE ARG 19 -9.807 11.266 5.210 125 HH11 ARG 19 2HH1 ARG 19 -8.131 8.853 7.077 126 HH12 ARG 19 1HH1 ARG 19 -6.555 9.455 6.684 127 HH21 ARG 19 2HH2 ARG 19 -7.737 12.068 4.684 128 HH22 ARG 19 1HH2 ARG 19 -6.332 11.284 5.323 129 H THR 20 H THR 20 -11.238 6.904 1.365 130 HA THR 20 HA THR 20 -13.726 8.055 0.281 131 HB THR 20 HB THR 20 -12.418 8.775 -1.703 132 HG1 THR 20 1HG THR 20 -10.046 8.466 -0.226 133 HG21 THR 20 1HG2 THR 20 -12.470 9.946 0.873 134 HG22 THR 20 2HG2 THR 20 -12.311 10.754 -0.687 135 HG23 THR 20 3HG2 THR 20 -10.871 10.245 0.194 136 H ALA 21 H ALA 21 -14.838 6.832 -1.120 137 HA ALA 21 HA ALA 21 -14.655 4.172 -1.414 138 HB1 ALA 21 1HB ALA 21 -16.468 4.596 -2.618 139 HB2 ALA 21 2HB ALA 21 -15.971 6.273 -2.843 140 HB3 ALA 21 3HB ALA 21 -15.431 5.035 -3.976 141 H GLU 22 H GLU 22 -12.634 6.513 -3.012 142 HA GLU 22 HA GLU 22 -11.380 4.403 -4.621 143 HB2 GLU 22 1HB GLU 22 -11.501 7.383 -4.834 144 HB3 GLU 22 2HB GLU 22 -10.136 6.534 -5.545 145 HG2 GLU 22 1HG GLU 22 -11.885 6.940 -7.183 146 HG3 GLU 22 2HG GLU 22 -11.642 5.214 -6.916 147 H ASP 23 H ASP 23 -10.454 3.565 -2.575 148 HA ASP 23 HA ASP 23 -7.744 4.364 -2.319 149 HB2 ASP 23 1HB ASP 23 -9.216 6.038 -0.887 150 HB3 ASP 23 2HB ASP 23 -9.181 4.715 0.275 151 H LEU 24 H LEU 24 -6.611 3.082 -0.592 152 HA LEU 24 HA LEU 24 -7.959 0.485 -0.248 153 HB2 LEU 24 1HB LEU 24 -6.032 0.450 -1.777 154 HB3 LEU 24 2HB LEU 24 -5.007 1.058 -0.478 155 HG LEU 24 HG LEU 24 -5.887 -1.135 0.732 156 HD11 LEU 24 1HD1 LEU 24 -5.617 -2.743 -1.506 157 HD12 LEU 24 2HD1 LEU 24 -6.711 -1.461 -2.024 158 HD13 LEU 24 3HD1 LEU 24 -7.101 -2.432 -0.604 159 HD21 LEU 24 1HD2 LEU 24 -3.820 -1.809 -1.229 160 HD22 LEU 24 2HD2 LEU 24 -3.758 -1.806 0.534 161 HD23 LEU 24 3HD2 LEU 24 -3.531 -0.302 -0.359 162 H SER 25 H SER 25 -7.868 -0.544 1.719 163 HA SER 25 HA SER 25 -6.961 1.122 3.962 164 HB2 SER 25 1HB SER 25 -9.369 0.443 3.889 165 HB3 SER 25 2HB SER 25 -8.855 -1.238 4.032 166 HG SER 25 HG SER 25 -7.719 -0.440 6.005 167 H PHE 26 H PHE 26 -5.902 0.120 5.765 168 HA PHE 26 HA PHE 26 -4.894 -2.560 5.539 169 HB2 PHE 26 1HB PHE 26 -2.479 -1.825 5.568 170 HB3 PHE 26 2HB PHE 26 -3.314 -1.581 4.038 171 HD1 PHE 26 1HD PHE 26 -3.842 0.645 3.248 172 HD2 PHE 26 2HD PHE 26 -1.798 0.043 6.933 173 HE1 PHE 26 1HE PHE 26 -3.201 3.021 3.277 174 HE2 PHE 26 2HE PHE 26 -1.155 2.418 6.968 175 HZ PHE 26 HZ PHE 26 -1.857 3.910 5.139 176 H ARG 27 H ARG 27 -3.207 -2.949 7.341 177 HA ARG 27 HA ARG 27 -3.917 -1.329 9.697 178 HB2 ARG 27 1HB ARG 27 -3.591 -4.332 9.561 179 HB3 ARG 27 2HB ARG 27 -3.828 -3.410 11.040 180 HG2 ARG 27 1HG ARG 27 -5.965 -2.556 9.737 181 HG3 ARG 27 2HG ARG 27 -5.759 -4.095 8.898 182 HD2 ARG 27 1HD ARG 27 -5.977 -5.327 10.900 183 HD3 ARG 27 2HD ARG 27 -5.785 -3.884 11.896 184 HE ARG 27 HE ARG 27 -8.014 -3.314 10.529 185 HH11 ARG 27 2HH1 ARG 27 -7.032 -6.164 12.270 186 HH12 ARG 27 1HH1 ARG 27 -8.647 -6.613 12.708 187 HH21 ARG 27 2HH2 ARG 27 -10.145 -3.894 11.099 188 HH22 ARG 27 1HH2 ARG 27 -10.417 -5.322 12.040 189 H ALA 28 H ALA 28 -2.338 -1.415 11.453 190 HA ALA 28 HA ALA 28 0.253 -0.840 10.615 191 HB1 ALA 28 1HB ALA 28 0.125 -1.816 13.356 192 HB2 ALA 28 2HB ALA 28 0.560 -0.222 12.738 193 HB3 ALA 28 3HB ALA 28 -1.136 -0.643 12.977 194 H GLY 29 H GLY 29 1.637 -2.195 9.676 195 HA2 GLY 29 1HA GLY 29 3.236 -3.954 9.906 196 HA3 GLY 29 2HA GLY 29 2.106 -4.800 10.952 197 H ASP 30 H ASP 30 1.318 -3.343 7.846 198 HA ASP 30 HA ASP 30 0.780 -6.049 6.809 199 HB2 ASP 30 1HB ASP 30 -0.673 -3.443 6.395 200 HB3 ASP 30 2HB ASP 30 -0.870 -4.796 5.285 201 H LYS 31 H LYS 31 1.910 -6.676 5.096 202 HA LYS 31 HA LYS 31 3.837 -4.959 3.888 203 HB2 LYS 31 1HB LYS 31 2.919 -7.689 2.968 204 HB3 LYS 31 2HB LYS 31 4.413 -6.879 2.515 205 HG2 LYS 31 1HG LYS 31 3.868 -7.404 5.395 206 HG3 LYS 31 2HG LYS 31 4.400 -8.729 4.357 207 HD2 LYS 31 1HD LYS 31 6.406 -7.559 3.781 208 HD3 LYS 31 2HD LYS 31 5.843 -6.092 4.584 209 HE2 LYS 31 1HE LYS 31 6.341 -8.709 5.995 210 HE3 LYS 31 2HE LYS 31 7.527 -7.409 5.880 211 HZ1 LYS 31 1HZ LYS 31 5.651 -5.985 6.882 212 HZ2 LYS 31 2HZ LYS 31 6.520 -7.017 7.902 213 HZ3 LYS 31 3HZ LYS 31 4.981 -7.463 7.361 214 H LEU 32 H LEU 32 3.699 -3.746 2.106 215 HA LEU 32 HA LEU 32 1.586 -4.265 0.156 216 HB2 LEU 32 1HB LEU 32 2.039 -1.585 1.461 217 HB3 LEU 32 2HB LEU 32 0.959 -1.889 0.102 218 HG LEU 32 HG LEU 32 0.558 -3.315 2.705 219 HD11 LEU 32 1HD1 LEU 32 -0.178 -0.487 2.032 220 HD12 LEU 32 2HD1 LEU 32 0.585 -1.116 3.492 221 HD13 LEU 32 3HD1 LEU 32 -1.119 -1.444 3.176 222 HD21 LEU 32 1HD2 LEU 32 -0.714 -4.122 0.832 223 HD22 LEU 32 2HD2 LEU 32 -1.242 -2.487 0.432 224 HD23 LEU 32 3HD2 LEU 32 -1.796 -3.253 1.921 225 H GLN 33 H GLN 33 2.273 -4.027 -1.879 226 HA GLN 33 HA GLN 33 4.968 -2.980 -2.298 227 HB2 GLN 33 1HB GLN 33 4.470 -5.201 -3.191 228 HB3 GLN 33 2HB GLN 33 3.146 -4.538 -4.140 229 HG2 GLN 33 1HG GLN 33 4.659 -3.290 -5.504 230 HG3 GLN 33 2HG GLN 33 6.021 -3.722 -4.471 231 HE21 GLN 33 1HE2 GLN 33 3.430 -5.310 -6.306 232 HE22 GLN 33 2HE2 GLN 33 4.425 -6.566 -6.953 233 H VAL 34 H VAL 34 5.239 -0.964 -2.961 234 HA VAL 34 HA VAL 34 3.043 0.612 -3.929 235 HB VAL 34 HB VAL 34 5.976 1.255 -3.618 236 HG11 VAL 34 1HG1 VAL 34 5.096 3.654 -3.825 237 HG12 VAL 34 2HG1 VAL 34 5.282 2.714 -5.307 238 HG13 VAL 34 3HG1 VAL 34 3.684 2.927 -4.591 239 HG21 VAL 34 1HG2 VAL 34 3.528 1.830 -1.971 240 HG22 VAL 34 2HG2 VAL 34 5.001 0.989 -1.486 241 HG23 VAL 34 3HG2 VAL 34 5.033 2.728 -1.778 242 H LEU 35 H LEU 35 2.375 0.647 -5.963 243 HA LEU 35 HA LEU 35 4.177 -0.219 -8.092 244 HB2 LEU 35 1HB LEU 35 1.268 0.470 -8.380 245 HB3 LEU 35 2HB LEU 35 2.263 -0.534 -9.433 246 HG LEU 35 HG LEU 35 1.674 -1.370 -6.614 247 HD11 LEU 35 1HD1 LEU 35 -0.018 -2.147 -8.972 248 HD12 LEU 35 2HD1 LEU 35 -0.447 -0.821 -7.892 249 HD13 LEU 35 3HD1 LEU 35 -0.307 -2.461 -7.260 250 HD21 LEU 35 1HD2 LEU 35 2.675 -3.277 -7.195 251 HD22 LEU 35 2HD2 LEU 35 3.283 -2.399 -8.599 252 HD23 LEU 35 3HD2 LEU 35 1.810 -3.362 -8.730 253 H ASP 36 H ASP 36 1.798 2.399 -7.613 254 HA ASP 36 HA ASP 36 3.362 4.056 -9.469 255 HB2 ASP 36 1HB ASP 36 0.792 3.566 -9.707 256 HB3 ASP 36 2HB ASP 36 0.640 4.826 -8.484 257 H THR 37 H THR 37 4.356 5.867 -8.807 258 HA THR 37 HA THR 37 3.807 6.834 -6.080 259 HB THR 37 HB THR 37 6.246 7.381 -5.887 260 HG1 THR 37 1HG THR 37 7.537 6.943 -7.507 261 HG21 THR 37 1HG2 THR 37 6.847 4.752 -5.867 262 HG22 THR 37 2HG2 THR 37 5.086 4.666 -5.911 263 HG23 THR 37 3HG2 THR 37 5.894 5.543 -4.612 264 H SER 38 H SER 38 2.673 7.876 -8.443 265 HA SER 38 HA SER 38 4.178 10.220 -9.212 266 HB2 SER 38 1HB SER 38 2.759 9.055 -10.855 267 HB3 SER 38 2HB SER 38 1.335 9.419 -9.881 268 HG SER 38 HG SER 38 2.245 11.719 -10.166 269 H HIS 39 H HIS 39 0.809 9.976 -8.091 270 HA HIS 39 HA HIS 39 0.549 12.574 -7.199 271 HB2 HIS 39 1HB HIS 39 -1.294 10.885 -7.449 272 HB3 HIS 39 2HB HIS 39 -0.778 10.178 -5.920 273 HD1 HIS 39 1HD HIS 39 -0.513 13.809 -5.880 274 HD2 HIS 39 2HD HIS 39 -3.470 10.992 -5.119 275 HE1 HIS 39 1HE HIS 39 -2.287 15.031 -4.584 276 HE2 HIS 39 2HE HIS 39 -4.026 13.286 -4.061 277 H GLU 40 H GLU 40 1.822 13.610 -5.813 278 HA GLU 40 HA GLU 40 3.480 12.422 -3.904 279 HB2 GLU 40 1HB GLU 40 3.713 14.708 -2.966 280 HB3 GLU 40 2HB GLU 40 3.924 14.654 -4.710 281 HG2 GLU 40 1HG GLU 40 1.412 15.270 -4.786 282 HG3 GLU 40 2HG GLU 40 1.663 15.775 -3.116 283 H GLY 41 H GLY 41 2.866 11.288 -2.187 284 HA2 GLY 41 1HA GLY 41 1.997 11.454 0.088 285 HA3 GLY 41 2HA GLY 41 0.624 12.331 -0.572 286 H TRP 42 H TRP 42 -0.310 10.875 -2.570 287 HA TRP 42 HA TRP 42 -1.107 8.382 -1.249 288 HB2 TRP 42 1HB TRP 42 -2.383 9.887 -3.543 289 HB3 TRP 42 2HB TRP 42 -3.010 8.401 -2.835 290 HD1 TRP 42 HD TRP 42 -2.787 12.144 -2.227 291 HE1 TRP 42 1HE TRP 42 -4.275 12.758 -0.219 292 HE3 TRP 42 3HE TRP 42 -3.931 7.436 -0.596 293 HZ2 TRP 42 2HZ TRP 42 -5.740 11.423 1.791 294 HZ3 TRP 42 3HZ TRP 42 -5.382 7.191 1.377 295 HH2 TRP 42 HH TRP 42 -6.266 9.145 2.544 296 H TRP 43 H TRP 43 -0.212 6.549 -1.896 297 HA TRP 43 HA TRP 43 0.832 6.385 -4.646 298 HB2 TRP 43 1HB TRP 43 1.719 4.949 -2.136 299 HB3 TRP 43 2HB TRP 43 2.326 4.584 -3.748 300 HD1 TRP 43 HD TRP 43 2.299 7.930 -4.377 301 HE1 TRP 43 1HE TRP 43 4.377 9.215 -3.566 302 HE3 TRP 43 3HE TRP 43 4.073 4.546 -0.980 303 HZ2 TRP 43 2HZ TRP 43 6.488 8.843 -1.730 304 HZ3 TRP 43 3HZ TRP 43 6.128 5.087 0.261 305 HH2 TRP 43 HH TRP 43 7.309 7.192 -0.108 306 H LEU 44 H LEU 44 0.584 4.401 -5.790 307 HA LEU 44 HA LEU 44 -1.859 2.978 -5.035 308 HB2 LEU 44 1HB LEU 44 -1.911 3.891 -7.236 309 HB3 LEU 44 2HB LEU 44 -0.339 3.195 -7.624 310 HG LEU 44 HG LEU 44 -1.381 0.934 -7.479 311 HD11 LEU 44 1HD1 LEU 44 -3.877 0.875 -7.656 312 HD12 LEU 44 2HD1 LEU 44 -3.889 2.569 -7.168 313 HD13 LEU 44 3HD1 LEU 44 -3.256 1.341 -6.072 314 HD21 LEU 44 1HD2 LEU 44 -1.059 2.173 -9.612 315 HD22 LEU 44 2HD2 LEU 44 -2.715 2.763 -9.469 316 HD23 LEU 44 3HD2 LEU 44 -2.407 1.035 -9.643 317 H ALA 45 H ALA 45 -1.280 1.403 -3.620 318 HA ALA 45 HA ALA 45 0.790 -0.501 -4.506 319 HB1 ALA 45 1HB ALA 45 1.716 -0.256 -2.507 320 HB2 ALA 45 2HB ALA 45 0.418 0.827 -2.003 321 HB3 ALA 45 3HB ALA 45 0.254 -0.914 -1.772 322 H ARG 46 H ARG 46 0.427 -2.764 -3.735 323 HA ARG 46 HA ARG 46 -2.437 -3.437 -3.645 324 HB2 ARG 46 1HB ARG 46 -2.170 -5.187 -5.211 325 HB3 ARG 46 2HB ARG 46 -1.345 -3.801 -5.911 326 HG2 ARG 46 1HG ARG 46 0.787 -4.767 -4.916 327 HG3 ARG 46 2HG ARG 46 -0.145 -6.241 -4.648 328 HD2 ARG 46 1HD ARG 46 -0.752 -6.097 -7.123 329 HD3 ARG 46 2HD ARG 46 0.539 -4.904 -7.249 330 HE ARG 46 HE ARG 46 1.631 -7.112 -5.993 331 HH11 ARG 46 2HH1 ARG 46 0.159 -6.374 -9.060 332 HH12 ARG 46 1HH1 ARG 46 1.062 -7.570 -9.929 333 HH21 ARG 46 2HH2 ARG 46 2.826 -8.690 -7.126 334 HH22 ARG 46 1HH2 ARG 46 2.578 -8.888 -8.828 335 H HIS 47 H HIS 47 -3.010 -5.218 -2.412 336 HA HIS 47 HA HIS 47 -1.479 -5.769 -0.146 337 HB2 HIS 47 1HB HIS 47 -3.916 -6.946 -1.382 338 HB3 HIS 47 2HB HIS 47 -3.097 -7.895 -0.145 339 HD1 HIS 47 1HD HIS 47 -2.594 -6.342 2.141 340 HD2 HIS 47 2HD HIS 47 -5.761 -5.285 -0.332 341 HE1 HIS 47 1HE HIS 47 -4.101 -4.907 3.553 342 HE2 HIS 47 2HE HIS 47 -6.052 -4.350 2.062 343 H LEU 48 H LEU 48 0.124 -7.151 0.283 344 HA LEU 48 HA LEU 48 0.965 -8.976 -1.853 345 HB2 LEU 48 1HB LEU 48 2.430 -7.895 0.548 346 HB3 LEU 48 2HB LEU 48 3.104 -9.075 -0.574 347 HG LEU 48 HG LEU 48 2.203 -6.330 -1.427 348 HD11 LEU 48 1HD1 LEU 48 5.017 -6.527 -1.426 349 HD12 LEU 48 2HD1 LEU 48 4.459 -7.022 0.172 350 HD13 LEU 48 3HD1 LEU 48 3.997 -5.448 -0.475 351 HD21 LEU 48 1HD2 LEU 48 4.328 -7.740 -2.864 352 HD22 LEU 48 2HD2 LEU 48 2.915 -6.882 -3.478 353 HD23 LEU 48 3HD2 LEU 48 2.761 -8.547 -2.914 354 H GLU 49 H GLU 49 0.063 -8.875 1.541 355 HA GLU 49 HA GLU 49 0.783 -11.414 2.362 356 HB2 GLU 49 1HB GLU 49 -1.382 -9.517 3.139 357 HB3 GLU 49 2HB GLU 49 -1.466 -11.163 3.751 358 HG2 GLU 49 1HG GLU 49 1.030 -10.702 4.416 359 HG3 GLU 49 2HG GLU 49 0.510 -9.020 4.332 360 H LYS 50 H LYS 50 0.414 -13.249 1.308 361 HA LYS 50 HA LYS 50 -1.675 -13.683 -0.523 362 HB2 LYS 50 1HB LYS 50 0.297 -15.451 0.872 363 HB3 LYS 50 2HB LYS 50 -1.019 -16.180 -0.038 364 HG2 LYS 50 1HG LYS 50 -0.256 -15.323 -2.065 365 HG3 LYS 50 2HG LYS 50 0.758 -14.113 -1.277 366 HD2 LYS 50 1HD LYS 50 1.322 -16.987 -0.749 367 HD3 LYS 50 2HD LYS 50 1.783 -16.319 -2.316 368 HE2 LYS 50 1HE LYS 50 2.560 -15.094 0.324 369 HE3 LYS 50 2HE LYS 50 3.569 -16.238 -0.558 370 HZ1 LYS 50 1HZ LYS 50 4.238 -14.656 -1.949 371 HZ2 LYS 50 2HZ LYS 50 3.572 -13.536 -0.872 372 HZ3 LYS 50 3HZ LYS 50 2.670 -14.072 -2.199 373 H LYS 51 H LYS 51 -1.262 -14.817 2.825 374 HA LYS 51 HA LYS 51 -4.099 -15.579 2.858 375 HB2 LYS 51 1HB LYS 51 -2.232 -17.222 3.510 376 HB3 LYS 51 2HB LYS 51 -2.073 -16.265 4.977 377 HG2 LYS 51 1HG LYS 51 -4.507 -16.682 5.401 378 HG3 LYS 51 2HG LYS 51 -4.474 -17.820 4.052 379 HD2 LYS 51 1HD LYS 51 -2.432 -18.107 6.199 380 HD3 LYS 51 2HD LYS 51 -4.087 -18.618 6.541 381 HE2 LYS 51 1HE LYS 51 -4.046 -20.270 4.914 382 HE3 LYS 51 2HE LYS 51 -2.723 -19.510 4.033 383 HZ1 LYS 51 1HZ LYS 51 -1.242 -20.100 5.876 384 HZ2 LYS 51 2HZ LYS 51 -1.942 -21.467 5.166 385 HZ3 LYS 51 3HZ LYS 51 -2.518 -20.896 6.651 386 H GLY 52 H GLY 52 -5.518 -14.735 4.341 387 HA2 GLY 52 1HA GLY 52 -5.438 -13.547 6.649 388 HA3 GLY 52 2HA GLY 52 -4.577 -12.322 5.729 389 H THR 53 H THR 53 -7.457 -12.948 7.024 390 HA THR 53 HA THR 53 -9.125 -12.060 4.815 391 HB THR 53 HB THR 53 -9.912 -12.593 7.686 392 HG1 THR 53 1HG THR 53 -10.549 -14.627 6.906 393 HG21 THR 53 1HG2 THR 53 -11.733 -12.688 5.308 394 HG22 THR 53 2HG2 THR 53 -11.385 -11.154 6.104 395 HG23 THR 53 3HG2 THR 53 -12.133 -12.468 7.010 396 H GLY 54 H GLY 54 -9.385 -9.977 4.371 397 HA2 GLY 54 1HA GLY 54 -9.341 -8.056 6.612 398 HA3 GLY 54 2HA GLY 54 -8.483 -7.729 5.114 399 H LEU 55 H LEU 55 -10.598 -6.178 6.373 400 HA LEU 55 HA LEU 55 -12.917 -6.564 4.666 401 HB2 LEU 55 1HB LEU 55 -12.252 -4.837 7.000 402 HB3 LEU 55 2HB LEU 55 -13.555 -4.340 5.923 403 HG LEU 55 HG LEU 55 -14.437 -6.770 6.370 404 HD11 LEU 55 1HD1 LEU 55 -13.390 -6.484 9.084 405 HD12 LEU 55 2HD1 LEU 55 -12.171 -6.905 7.882 406 HD13 LEU 55 3HD1 LEU 55 -13.594 -7.926 8.088 407 HD21 LEU 55 1HD2 LEU 55 -15.110 -5.489 8.772 408 HD22 LEU 55 2HD2 LEU 55 -16.013 -5.485 7.257 409 HD23 LEU 55 3HD2 LEU 55 -14.845 -4.206 7.592 410 H GLY 56 H GLY 56 -13.132 -5.636 2.744 411 HA2 GLY 56 1HA GLY 56 -12.571 -2.955 2.166 412 HA3 GLY 56 2HA GLY 56 -11.195 -3.913 1.638 413 H GLN 57 H GLN 57 -12.191 -2.696 -0.369 414 HA GLN 57 HA GLN 57 -14.184 -4.456 -1.628 415 HB2 GLN 57 1HB GLN 57 -14.580 -2.596 -3.201 416 HB3 GLN 57 2HB GLN 57 -14.888 -2.136 -1.532 417 HG2 GLN 57 1HG GLN 57 -12.639 -1.094 -1.462 418 HG3 GLN 57 2HG GLN 57 -12.468 -1.450 -3.180 419 HE21 GLN 57 1HE2 GLN 57 -12.743 0.310 -4.333 420 HE22 GLN 57 2HE2 GLN 57 -13.927 1.538 -4.058 421 H GLN 58 H GLN 58 -11.178 -2.682 -2.313 422 HA GLN 58 HA GLN 58 -10.648 -4.587 -4.494 423 HB2 GLN 58 1HB GLN 58 -9.154 -2.881 -5.435 424 HB3 GLN 58 2HB GLN 58 -10.795 -2.274 -5.256 425 HG2 GLN 58 1HG GLN 58 -9.876 -1.395 -2.961 426 HG3 GLN 58 2HG GLN 58 -8.323 -1.527 -3.785 427 HE21 GLN 58 1HE2 GLN 58 -8.664 -0.705 -6.228 428 HE22 GLN 58 2HE2 GLN 58 -9.303 0.898 -6.309 429 H LEU 59 H LEU 59 -8.284 -5.018 -4.865 430 HA LEU 59 HA LEU 59 -7.052 -5.667 -2.299 431 HB2 LEU 59 1HB LEU 59 -5.788 -7.281 -3.428 432 HB3 LEU 59 2HB LEU 59 -7.392 -7.358 -4.152 433 HG LEU 59 HG LEU 59 -6.248 -5.705 -5.900 434 HD11 LEU 59 1HD1 LEU 59 -3.917 -7.466 -5.511 435 HD12 LEU 59 2HD1 LEU 59 -4.093 -6.146 -4.356 436 HD13 LEU 59 3HD1 LEU 59 -4.004 -5.800 -6.083 437 HD21 LEU 59 1HD2 LEU 59 -5.937 -7.594 -7.341 438 HD22 LEU 59 2HD2 LEU 59 -7.340 -7.902 -6.319 439 HD23 LEU 59 3HD2 LEU 59 -5.800 -8.685 -5.962 440 H GLN 60 H GLN 60 -6.770 -3.415 -4.834 441 HA GLN 60 HA GLN 60 -4.328 -2.358 -3.637 442 HB2 GLN 60 1HB GLN 60 -3.094 -2.243 -5.623 443 HB3 GLN 60 2HB GLN 60 -3.807 -3.850 -5.665 444 HG2 GLN 60 1HG GLN 60 -5.557 -3.032 -7.163 445 HG3 GLN 60 2HG GLN 60 -4.830 -1.427 -7.128 446 HE21 GLN 60 1HE2 GLN 60 -4.431 -1.378 -9.316 447 HE22 GLN 60 2HE2 GLN 60 -3.223 -2.356 -10.070 448 H GLY 61 H GLY 61 -4.253 -0.167 -3.587 449 HA2 GLY 61 1HA GLY 61 -5.781 1.470 -5.383 450 HA3 GLY 61 2HA GLY 61 -6.497 1.383 -3.780 451 H TYR 62 H TYR 62 -6.124 3.701 -3.723 452 HA TYR 62 HA TYR 62 -3.381 4.617 -3.591 453 HB2 TYR 62 1HB TYR 62 -5.996 6.067 -3.134 454 HB3 TYR 62 2HB TYR 62 -4.412 6.834 -3.133 455 HD1 TYR 62 2HD TYR 62 -2.976 6.210 -5.340 456 HD2 TYR 62 1HD TYR 62 -7.222 6.255 -5.071 457 HE1 TYR 62 2HE TYR 62 -3.121 6.522 -7.775 458 HE2 TYR 62 1HE TYR 62 -7.379 6.566 -7.505 459 HH TYR 62 HH TYR 62 -5.805 7.557 -9.340 460 H ILE 63 H ILE 63 -2.230 5.048 -1.793 461 HA ILE 63 HA ILE 63 -3.570 5.051 0.806 462 HB ILE 63 HB ILE 63 -1.903 3.528 1.775 463 HG12 ILE 63 1HG1 ILE 63 -1.089 2.784 -1.026 464 HG13 ILE 63 2HG1 ILE 63 -0.226 4.024 -0.123 465 HG21 ILE 63 1HG2 ILE 63 -3.778 2.662 -0.355 466 HG22 ILE 63 2HG2 ILE 63 -2.687 1.455 0.324 467 HG23 ILE 63 3HG2 ILE 63 -3.799 2.330 1.377 468 HD11 ILE 63 1HD1 ILE 63 0.615 2.516 1.398 469 HD12 ILE 63 2HD1 ILE 63 -0.656 1.332 1.085 470 HD13 ILE 63 3HD1 ILE 63 0.627 1.584 -0.099 471 HA PRO 64 HA PRO 64 -0.790 8.365 1.612 472 HB2 PRO 64 1HB PRO 64 -0.825 8.321 4.326 473 HB3 PRO 64 2HB PRO 64 -2.181 8.911 3.358 474 HG2 PRO 64 1HG PRO 64 -1.806 6.244 4.663 475 HG3 PRO 64 2HG PRO 64 -3.255 7.263 4.596 476 HD2 PRO 64 1HD PRO 64 -2.900 5.126 2.971 477 HD3 PRO 64 2HD PRO 64 -3.795 6.572 2.464 478 H SER 65 H SER 65 1.362 8.457 1.554 479 HA SER 65 HA SER 65 2.967 6.189 2.208 480 HB2 SER 65 1HB SER 65 4.865 7.615 1.529 481 HB3 SER 65 2HB SER 65 3.559 7.668 0.345 482 HG SER 65 HG SER 65 3.661 9.744 0.610 483 H ASN 66 H ASN 66 2.333 9.310 3.715 484 HA ASN 66 HA ASN 66 4.318 9.282 5.671 485 HB2 ASN 66 1HB ASN 66 1.518 10.406 5.913 486 HB3 ASN 66 2HB ASN 66 2.903 10.852 6.905 487 HD21 ASN 66 1HD2 ASN 66 3.923 12.619 6.325 488 HD22 ASN 66 2HD2 ASN 66 3.941 13.315 4.744 489 H TYR 67 H TYR 67 1.599 7.273 5.313 490 HA TYR 67 HA TYR 67 1.408 6.591 8.129 491 HB2 TYR 67 1HB TYR 67 -0.108 5.883 5.658 492 HB3 TYR 67 2HB TYR 67 -0.180 4.775 7.024 493 HD1 TYR 67 1HD TYR 67 -0.095 8.505 6.924 494 HD2 TYR 67 2HD TYR 67 -2.288 5.010 7.962 495 HE1 TYR 67 1HE TYR 67 -1.827 9.908 7.963 496 HE2 TYR 67 2HE TYR 67 -4.027 6.404 9.003 497 HH TYR 67 HH TYR 67 -3.597 9.607 9.774 498 H VAL 68 H VAL 68 2.864 5.378 5.211 499 HA VAL 68 HA VAL 68 3.759 2.969 6.649 500 HB VAL 68 HB VAL 68 4.110 1.892 4.553 501 HG11 VAL 68 1HG1 VAL 68 1.547 3.292 3.971 502 HG12 VAL 68 2HG1 VAL 68 1.930 1.570 3.920 503 HG13 VAL 68 3HG1 VAL 68 1.693 2.377 5.471 504 HG21 VAL 68 1HG2 VAL 68 3.902 2.954 2.416 505 HG22 VAL 68 2HG2 VAL 68 3.355 4.457 3.159 506 HG23 VAL 68 3HG2 VAL 68 5.014 3.909 3.396 507 H ALA 69 H ALA 69 5.952 2.192 5.471 508 HA ALA 69 HA ALA 69 7.785 4.354 4.937 509 HB1 ALA 69 1HB ALA 69 9.309 3.803 6.800 510 HB2 ALA 69 2HB ALA 69 7.765 4.457 7.348 511 HB3 ALA 69 3HB ALA 69 8.077 2.725 7.457 512 H GLU 70 H GLU 70 10.105 3.415 4.772 513 HA GLU 70 HA GLU 70 9.959 1.187 2.967 514 HB2 GLU 70 1HB GLU 70 11.505 3.256 2.833 515 HB3 GLU 70 2HB GLU 70 12.511 2.399 3.992 516 HG2 GLU 70 1HG GLU 70 11.663 0.999 1.508 517 HG3 GLU 70 2HG GLU 70 12.947 2.203 1.423 518 H ASP 71 H ASP 71 9.639 -0.768 3.841 519 HA ASP 71 HA ASP 71 11.024 -1.509 6.301 520 HB2 ASP 71 1HB ASP 71 8.510 -1.998 5.645 521 HB3 ASP 71 2HB ASP 71 9.223 -3.390 4.834 522 H SER 72 H SER 72 12.031 -3.688 6.413 523 HA SER 72 HA SER 72 14.127 -3.936 4.601 524 HB2 SER 72 1HB SER 72 14.495 -6.180 5.634 525 HB3 SER 72 2HB SER 72 14.279 -4.895 6.821 526 HG SER 72 HG SER 72 12.947 -6.451 7.524 527 H GLY 73 H GLY 73 14.049 -4.464 2.525 528 HA2 GLY 73 1HA GLY 73 12.009 -6.414 1.654 529 HA3 GLY 73 2HA GLY 73 12.649 -5.131 0.639 530 HA PRO 74 HA PRO 74 16.047 -8.582 1.085 531 HB2 PRO 74 1HB PRO 74 15.100 -11.015 1.829 532 HB3 PRO 74 2HB PRO 74 15.700 -9.822 2.988 533 HG2 PRO 74 1HG PRO 74 12.879 -10.460 2.215 534 HG3 PRO 74 2HG PRO 74 13.557 -10.159 3.826 535 HD2 PRO 74 1HD PRO 74 12.193 -8.272 2.443 536 HD3 PRO 74 2HD PRO 74 13.520 -7.871 3.551 537 H SER 75 H SER 75 16.593 -9.356 -0.854 538 HA SER 75 HA SER 75 14.652 -9.824 -2.871 539 HB2 SER 75 1HB SER 75 16.964 -8.947 -3.283 540 HB3 SER 75 2HB SER 75 17.587 -10.560 -2.937 541 HG SER 75 HG SER 75 16.072 -11.246 -4.667 542 H SER 76 H SER 76 16.983 -12.013 -1.293 543 HA SER 76 HA SER 76 15.061 -14.182 -1.443 544 HB2 SER 76 1HB SER 76 16.708 -15.709 -2.548 545 HB3 SER 76 2HB SER 76 16.127 -14.419 -3.601 546 HG SER 76 HG SER 76 18.200 -14.126 -3.889 547 H GLY 77 H GLY 77 15.868 -16.150 -0.311 548 HA2 GLY 77 1HA GLY 77 18.005 -16.691 1.127 549 HA3 GLY 77 2HA GLY 77 17.398 -15.318 2.041 Start of MODEL 14 1 H1 GLY 1 H GLY 1 5.090 -3.273 -17.673 2 HA2 GLY 1 1HA GLY 1 3.875 -5.957 -17.580 3 HA3 GLY 1 2HA GLY 1 5.381 -5.557 -18.393 4 H SER 2 H SER 2 4.098 -7.029 -15.742 5 HA SER 2 HA SER 2 6.218 -6.328 -13.884 6 HB2 SER 2 1HB SER 2 3.910 -8.273 -13.652 7 HB3 SER 2 2HB SER 2 5.059 -7.926 -12.360 8 HG SER 2 HG SER 2 4.364 -5.635 -12.763 9 H SER 3 H SER 3 8.149 -7.214 -14.197 10 HA SER 3 HA SER 3 8.658 -9.524 -15.706 11 HB2 SER 3 1HB SER 3 10.290 -7.659 -15.109 12 HB3 SER 3 2HB SER 3 10.478 -8.455 -13.546 13 HG SER 3 HG SER 3 11.546 -9.106 -15.953 14 H GLY 4 H GLY 4 9.097 -9.128 -12.182 15 HA2 GLY 4 1HA GLY 4 7.641 -11.222 -11.238 16 HA3 GLY 4 2HA GLY 4 9.124 -11.983 -11.793 17 H SER 5 H SER 5 11.157 -10.654 -11.024 18 HA SER 5 HA SER 5 10.921 -10.535 -8.119 19 HB2 SER 5 1HB SER 5 12.713 -11.903 -9.222 20 HB3 SER 5 2HB SER 5 13.429 -10.402 -9.807 21 HG SER 5 HG SER 5 13.364 -11.465 -7.240 22 H SER 6 H SER 6 9.644 -8.416 -8.970 23 HA SER 6 HA SER 6 11.441 -6.208 -8.306 24 HB2 SER 6 1HB SER 6 9.810 -6.442 -10.815 25 HB3 SER 6 2HB SER 6 10.125 -4.855 -10.115 26 HG SER 6 HG SER 6 12.290 -6.584 -10.421 27 H GLY 7 H GLY 7 10.190 -4.185 -7.806 28 HA2 GLY 7 1HA GLY 7 7.833 -3.404 -7.359 29 HA3 GLY 7 2HA GLY 7 7.648 -4.923 -6.495 30 H GLN 8 H GLN 8 8.021 -1.750 -6.014 31 HA GLN 8 HA GLN 8 9.994 -1.786 -3.915 32 HB2 GLN 8 1HB GLN 8 8.108 0.299 -4.983 33 HB3 GLN 8 2HB GLN 8 9.041 0.577 -3.518 34 HG2 GLN 8 1HG GLN 8 10.064 1.509 -5.576 35 HG3 GLN 8 2HG GLN 8 11.098 0.383 -4.699 36 HE21 GLN 8 1HE2 GLN 8 11.533 -1.637 -5.584 37 HE22 GLN 8 2HE2 GLN 8 11.248 -1.990 -7.251 38 H TYR 9 H TYR 9 9.573 -2.686 -2.016 39 HA TYR 9 HA TYR 9 6.839 -2.869 -1.043 40 HB2 TYR 9 1HB TYR 9 9.296 -3.877 0.378 41 HB3 TYR 9 2HB TYR 9 7.637 -4.446 0.528 42 HD1 TYR 9 2HD TYR 9 6.687 -5.082 -2.020 43 HD2 TYR 9 1HD TYR 9 10.683 -5.426 -0.600 44 HE1 TYR 9 2HE TYR 9 7.128 -6.823 -3.701 45 HE2 TYR 9 1HE TYR 9 11.136 -7.167 -2.278 46 HH TYR 9 HH TYR 9 9.936 -7.702 -4.743 47 H PHE 10 H PHE 10 6.172 -2.119 1.009 48 HA PHE 10 HA PHE 10 7.918 -0.212 2.370 49 HB2 PHE 10 1HB PHE 10 5.333 0.445 1.011 50 HB3 PHE 10 2HB PHE 10 5.772 1.305 2.483 51 HD1 PHE 10 1HD PHE 10 6.987 0.472 -0.921 52 HD2 PHE 10 2HD PHE 10 7.240 3.110 2.410 53 HE1 PHE 10 1HE PHE 10 8.400 1.995 -2.239 54 HE2 PHE 10 2HE PHE 10 8.652 4.638 1.097 55 HZ PHE 10 HZ PHE 10 9.233 4.082 -1.231 56 H VAL 11 H VAL 11 7.070 0.446 4.489 57 HA VAL 11 HA VAL 11 5.295 -1.613 5.634 58 HB VAL 11 HB VAL 11 7.617 -1.885 6.394 59 HG11 VAL 11 1HG1 VAL 11 8.846 -0.244 7.480 60 HG12 VAL 11 2HG1 VAL 11 8.035 0.661 6.200 61 HG13 VAL 11 3HG1 VAL 11 7.418 0.721 7.852 62 HG21 VAL 11 1HG2 VAL 11 7.136 -1.696 8.873 63 HG22 VAL 11 2HG2 VAL 11 5.591 -0.974 8.424 64 HG23 VAL 11 3HG2 VAL 11 5.972 -2.622 7.925 65 H ALA 12 H ALA 12 3.561 -0.931 6.735 66 HA ALA 12 HA ALA 12 2.916 1.857 6.774 67 HB1 ALA 12 1HB ALA 12 0.961 0.768 8.259 68 HB2 ALA 12 2HB ALA 12 0.978 0.733 6.496 69 HB3 ALA 12 3HB ALA 12 1.532 -0.669 7.411 70 H LEU 13 H LEU 13 4.008 3.116 8.166 71 HA LEU 13 HA LEU 13 5.002 2.288 10.672 72 HB2 LEU 13 1HB LEU 13 4.402 5.072 9.683 73 HB3 LEU 13 2HB LEU 13 5.389 4.673 11.087 74 HG LEU 13 HG LEU 13 6.172 3.610 8.410 75 HD11 LEU 13 1HD1 LEU 13 5.705 6.003 8.062 76 HD12 LEU 13 2HD1 LEU 13 7.420 5.617 7.915 77 HD13 LEU 13 3HD1 LEU 13 6.812 6.392 9.378 78 HD21 LEU 13 1HD2 LEU 13 7.229 3.567 11.007 79 HD22 LEU 13 2HD2 LEU 13 8.256 4.662 10.081 80 HD23 LEU 13 3HD2 LEU 13 7.998 3.009 9.521 81 H PHE 14 H PHE 14 1.994 3.815 9.689 82 HA PHE 14 HA PHE 14 0.967 3.382 12.408 83 HB2 PHE 14 1HB PHE 14 0.175 5.769 10.745 84 HB3 PHE 14 2HB PHE 14 -0.141 5.481 12.453 85 HD1 PHE 14 1HD PHE 14 1.938 5.317 13.989 86 HD2 PHE 14 2HD PHE 14 1.970 7.075 10.113 87 HE1 PHE 14 1HE PHE 14 3.973 6.568 14.577 88 HE2 PHE 14 2HE PHE 14 4.005 8.328 10.695 89 HZ PHE 14 HZ PHE 14 5.010 8.075 12.929 90 H ASP 15 H ASP 15 -1.538 3.654 12.360 91 HA ASP 15 HA ASP 15 -2.499 1.831 10.315 92 HB2 ASP 15 1HB ASP 15 -3.956 3.011 12.689 93 HB3 ASP 15 2HB ASP 15 -4.525 1.690 11.672 94 H TYR 16 H TYR 16 -4.176 2.250 8.883 95 HA TYR 16 HA TYR 16 -5.241 4.963 8.744 96 HB2 TYR 16 1HB TYR 16 -3.249 5.076 7.352 97 HB3 TYR 16 2HB TYR 16 -3.752 3.640 6.467 98 HD1 TYR 16 2HD TYR 16 -4.417 7.215 7.023 99 HD2 TYR 16 1HD TYR 16 -5.422 3.766 4.742 100 HE1 TYR 16 2HE TYR 16 -5.613 8.636 5.412 101 HE2 TYR 16 1HE TYR 16 -6.620 5.179 3.124 102 HH TYR 16 HH TYR 16 -6.865 8.693 3.581 103 H GLN 17 H GLN 17 -7.321 4.993 8.151 104 HA GLN 17 HA GLN 17 -8.464 2.507 7.061 105 HB2 GLN 17 1HB GLN 17 -9.262 3.034 9.316 106 HB3 GLN 17 2HB GLN 17 -9.785 4.621 8.770 107 HG2 GLN 17 1HG GLN 17 -11.317 3.446 7.163 108 HG3 GLN 17 2HG GLN 17 -10.909 1.946 7.995 109 HE21 GLN 17 1HE2 GLN 17 -13.061 1.666 8.623 110 HE22 GLN 17 2HE2 GLN 17 -13.766 2.599 9.894 111 H ALA 18 H ALA 18 -8.980 2.660 4.989 112 HA ALA 18 HA ALA 18 -8.986 4.887 3.400 113 HB1 ALA 18 1HB ALA 18 -9.222 3.233 1.935 114 HB2 ALA 18 2HB ALA 18 -9.907 2.164 3.159 115 HB3 ALA 18 3HB ALA 18 -10.953 3.271 2.271 116 H ARG 19 H ARG 19 -10.182 6.662 3.314 117 HA ARG 19 HA ARG 19 -12.638 6.854 4.812 118 HB2 ARG 19 1HB ARG 19 -11.024 8.810 3.188 119 HB3 ARG 19 2HB ARG 19 -12.599 9.232 3.845 120 HG2 ARG 19 1HG ARG 19 -10.471 8.136 5.632 121 HG3 ARG 19 2HG ARG 19 -10.462 9.838 5.165 122 HD2 ARG 19 1HD ARG 19 -11.713 9.981 7.065 123 HD3 ARG 19 2HD ARG 19 -12.998 9.677 5.897 124 HE ARG 19 HE ARG 19 -12.241 7.194 6.737 125 HH11 ARG 19 2HH1 ARG 19 -13.334 10.098 8.315 126 HH12 ARG 19 1HH1 ARG 19 -14.084 9.257 9.631 127 HH21 ARG 19 2HH2 ARG 19 -13.225 6.075 8.464 128 HH22 ARG 19 1HH2 ARG 19 -14.021 6.968 9.714 129 H THR 20 H THR 20 -11.683 6.974 1.404 130 HA THR 20 HA THR 20 -14.529 6.703 0.680 131 HB THR 20 HB THR 20 -13.921 7.717 -1.518 132 HG1 THR 20 1HG THR 20 -11.916 8.567 -1.815 133 HG21 THR 20 1HG2 THR 20 -14.970 9.190 -0.014 134 HG22 THR 20 2HG2 THR 20 -13.538 10.059 -0.563 135 HG23 THR 20 3HG2 THR 20 -13.545 9.283 1.020 136 H ALA 21 H ALA 21 -14.756 5.697 -1.590 137 HA ALA 21 HA ALA 21 -13.770 3.066 -1.494 138 HB1 ALA 21 1HB ALA 21 -15.487 2.815 -2.874 139 HB2 ALA 21 2HB ALA 21 -15.601 4.561 -3.099 140 HB3 ALA 21 3HB ALA 21 -14.553 3.604 -4.146 141 H GLU 22 H GLU 22 -12.483 5.961 -2.879 142 HA GLU 22 HA GLU 22 -10.581 4.512 -4.542 143 HB2 GLU 22 1HB GLU 22 -11.344 7.384 -4.209 144 HB3 GLU 22 2HB GLU 22 -9.772 6.994 -4.893 145 HG2 GLU 22 1HG GLU 22 -12.451 6.138 -5.961 146 HG3 GLU 22 2HG GLU 22 -11.384 7.360 -6.649 147 H ASP 23 H ASP 23 -10.010 3.638 -2.181 148 HA ASP 23 HA ASP 23 -7.386 4.580 -1.651 149 HB2 ASP 23 1HB ASP 23 -9.593 5.396 0.208 150 HB3 ASP 23 2HB ASP 23 -7.984 5.072 0.848 151 H LEU 24 H LEU 24 -6.258 3.265 -0.106 152 HA LEU 24 HA LEU 24 -7.554 0.656 0.265 153 HB2 LEU 24 1HB LEU 24 -5.377 0.935 -1.044 154 HB3 LEU 24 2HB LEU 24 -4.617 1.226 0.520 155 HG LEU 24 HG LEU 24 -5.438 -1.037 1.233 156 HD11 LEU 24 1HD1 LEU 24 -5.984 -1.396 -1.708 157 HD12 LEU 24 2HD1 LEU 24 -7.227 -1.207 -0.471 158 HD13 LEU 24 3HD1 LEU 24 -6.155 -2.607 -0.437 159 HD21 LEU 24 1HD2 LEU 24 -3.148 -0.358 0.089 160 HD22 LEU 24 2HD2 LEU 24 -3.737 -1.447 -1.167 161 HD23 LEU 24 3HD2 LEU 24 -3.530 -2.034 0.484 162 H SER 25 H SER 25 -7.460 -0.427 2.242 163 HA SER 25 HA SER 25 -6.921 1.319 4.548 164 HB2 SER 25 1HB SER 25 -8.537 0.009 5.786 165 HB3 SER 25 2HB SER 25 -9.268 0.509 4.261 166 HG SER 25 HG SER 25 -8.282 -1.709 3.605 167 H PHE 26 H PHE 26 -5.216 0.862 5.759 168 HA PHE 26 HA PHE 26 -4.362 -1.925 6.048 169 HB2 PHE 26 1HB PHE 26 -1.985 -1.227 5.792 170 HB3 PHE 26 2HB PHE 26 -2.923 -1.050 4.312 171 HD1 PHE 26 1HD PHE 26 -3.521 1.159 3.474 172 HD2 PHE 26 2HD PHE 26 -1.113 0.680 6.951 173 HE1 PHE 26 1HE PHE 26 -2.833 3.516 3.317 174 HE2 PHE 26 2HE PHE 26 -0.422 3.037 6.801 175 HZ PHE 26 HZ PHE 26 -1.283 4.458 4.983 176 H ARG 27 H ARG 27 -2.599 -2.068 7.794 177 HA ARG 27 HA ARG 27 -3.162 -0.129 9.938 178 HB2 ARG 27 1HB ARG 27 -3.097 -3.137 10.075 179 HB3 ARG 27 2HB ARG 27 -2.877 -2.138 11.506 180 HG2 ARG 27 1HG ARG 27 -5.117 -1.035 10.647 181 HG3 ARG 27 2HG ARG 27 -5.308 -2.609 9.872 182 HD2 ARG 27 1HD ARG 27 -4.646 -2.312 12.790 183 HD3 ARG 27 2HD ARG 27 -6.306 -2.337 12.196 184 HE ARG 27 HE ARG 27 -4.589 -4.574 12.535 185 HH11 ARG 27 2HH1 ARG 27 -7.112 -3.298 10.504 186 HH12 ARG 27 1HH1 ARG 27 -7.678 -4.857 10.004 187 HH21 ARG 27 2HH2 ARG 27 -5.324 -6.633 11.884 188 HH22 ARG 27 1HH2 ARG 27 -6.660 -6.754 10.790 189 H ALA 28 H ALA 28 -1.501 -0.342 11.755 190 HA ALA 28 HA ALA 28 1.049 0.220 10.736 191 HB1 ALA 28 1HB ALA 28 0.980 1.166 12.763 192 HB2 ALA 28 2HB ALA 28 -0.183 -0.009 13.378 193 HB3 ALA 28 3HB ALA 28 1.536 -0.401 13.351 194 H GLY 29 H GLY 29 2.368 -1.182 9.777 195 HA2 GLY 29 1HA GLY 29 3.936 -2.957 9.913 196 HA3 GLY 29 2HA GLY 29 2.922 -3.724 11.127 197 H ASP 30 H ASP 30 1.948 -2.473 7.965 198 HA ASP 30 HA ASP 30 1.178 -5.220 7.224 199 HB2 ASP 30 1HB ASP 30 -0.149 -2.572 6.702 200 HB3 ASP 30 2HB ASP 30 -0.474 -3.965 5.674 201 H LYS 31 H LYS 31 2.556 -6.022 5.789 202 HA LYS 31 HA LYS 31 4.355 -4.566 4.234 203 HB2 LYS 31 1HB LYS 31 3.240 -7.310 3.628 204 HB3 LYS 31 2HB LYS 31 4.745 -6.638 3.015 205 HG2 LYS 31 1HG LYS 31 4.287 -6.929 5.957 206 HG3 LYS 31 2HG LYS 31 4.829 -8.295 4.980 207 HD2 LYS 31 1HD LYS 31 6.832 -7.216 4.389 208 HD3 LYS 31 2HD LYS 31 6.233 -5.639 4.910 209 HE2 LYS 31 1HE LYS 31 6.411 -7.816 6.929 210 HE3 LYS 31 2HE LYS 31 7.909 -7.059 6.389 211 HZ1 LYS 31 1HZ LYS 31 6.577 -6.102 8.401 212 HZ2 LYS 31 2HZ LYS 31 5.675 -5.337 7.192 213 HZ3 LYS 31 3HZ LYS 31 7.341 -5.063 7.306 214 H LEU 32 H LEU 32 3.678 -3.014 2.877 215 HA LEU 32 HA LEU 32 1.666 -3.756 0.856 216 HB2 LEU 32 1HB LEU 32 2.209 -1.041 2.048 217 HB3 LEU 32 2HB LEU 32 1.076 -1.366 0.738 218 HG LEU 32 HG LEU 32 0.713 -2.775 3.342 219 HD11 LEU 32 1HD1 LEU 32 -0.675 -0.887 4.129 220 HD12 LEU 32 2HD1 LEU 32 -0.056 0.088 2.797 221 HD13 LEU 32 3HD1 LEU 32 1.043 -0.496 4.046 222 HD21 LEU 32 1HD2 LEU 32 -0.626 -2.824 0.980 223 HD22 LEU 32 2HD2 LEU 32 -1.540 -1.606 1.870 224 HD23 LEU 32 3HD2 LEU 32 -1.336 -3.224 2.544 225 H GLN 33 H GLN 33 2.281 -3.649 -1.208 226 HA GLN 33 HA GLN 33 4.936 -2.572 -1.799 227 HB2 GLN 33 1HB GLN 33 4.530 -4.864 -2.503 228 HB3 GLN 33 2HB GLN 33 3.111 -4.361 -3.413 229 HG2 GLN 33 1HG GLN 33 4.609 -2.962 -4.831 230 HG3 GLN 33 2HG GLN 33 5.982 -3.682 -3.993 231 HE21 GLN 33 1HE2 GLN 33 4.545 -3.795 -6.791 232 HE22 GLN 33 2HE2 GLN 33 4.661 -5.473 -7.185 233 H VAL 34 H VAL 34 5.145 -0.644 -2.705 234 HA VAL 34 HA VAL 34 2.860 0.809 -3.660 235 HB VAL 34 HB VAL 34 5.794 1.528 -3.666 236 HG11 VAL 34 1HG1 VAL 34 4.501 3.891 -3.801 237 HG12 VAL 34 2HG1 VAL 34 5.122 3.029 -5.210 238 HG13 VAL 34 3HG1 VAL 34 3.421 2.884 -4.765 239 HG21 VAL 34 1HG2 VAL 34 5.011 3.094 -1.831 240 HG22 VAL 34 2HG2 VAL 34 3.518 2.157 -1.802 241 HG23 VAL 34 3HG2 VAL 34 5.055 1.377 -1.427 242 H LEU 35 H LEU 35 2.132 0.943 -5.678 243 HA LEU 35 HA LEU 35 3.727 -0.261 -7.820 244 HB2 LEU 35 1HB LEU 35 0.842 0.576 -7.949 245 HB3 LEU 35 2HB LEU 35 1.704 -0.505 -9.041 246 HG LEU 35 HG LEU 35 1.335 -1.237 -6.160 247 HD11 LEU 35 1HD1 LEU 35 -0.839 -0.599 -7.590 248 HD12 LEU 35 2HD1 LEU 35 -0.809 -1.902 -6.402 249 HD13 LEU 35 3HD1 LEU 35 -0.619 -2.268 -8.117 250 HD21 LEU 35 1HD2 LEU 35 2.715 -2.401 -8.196 251 HD22 LEU 35 2HD2 LEU 35 1.165 -3.235 -8.297 252 HD23 LEU 35 3HD2 LEU 35 2.080 -3.256 -6.789 253 H ASP 36 H ASP 36 1.596 2.562 -7.352 254 HA ASP 36 HA ASP 36 3.103 3.953 -9.459 255 HB2 ASP 36 1HB ASP 36 0.473 3.646 -9.402 256 HB3 ASP 36 2HB ASP 36 0.560 5.048 -8.338 257 H THR 37 H THR 37 4.285 5.715 -9.015 258 HA THR 37 HA THR 37 4.041 6.911 -6.334 259 HB THR 37 HB THR 37 6.524 7.286 -6.395 260 HG1 THR 37 1HG THR 37 7.327 6.904 -8.332 261 HG21 THR 37 1HG2 THR 37 6.058 4.341 -6.542 262 HG22 THR 37 2HG2 THR 37 5.216 5.282 -5.311 263 HG23 THR 37 3HG2 THR 37 6.979 5.276 -5.365 264 H SER 38 H SER 38 2.822 7.833 -8.747 265 HA SER 38 HA SER 38 4.361 9.932 -9.907 266 HB2 SER 38 1HB SER 38 1.508 9.057 -10.029 267 HB3 SER 38 2HB SER 38 1.906 10.685 -10.577 268 HG SER 38 HG SER 38 3.073 8.271 -11.511 269 H HIS 39 H HIS 39 1.551 9.999 -7.709 270 HA HIS 39 HA HIS 39 1.764 12.772 -7.165 271 HB2 HIS 39 1HB HIS 39 0.210 10.489 -6.053 272 HB3 HIS 39 2HB HIS 39 0.350 11.937 -5.060 273 HD1 HIS 39 1HD HIS 39 -2.109 12.587 -5.309 274 HD2 HIS 39 2HD HIS 39 -0.106 12.244 -8.933 275 HE1 HIS 39 1HE HIS 39 -3.654 13.578 -7.028 276 HE2 HIS 39 2HE HIS 39 -2.457 13.282 -9.224 277 H GLU 40 H GLU 40 2.783 13.877 -5.568 278 HA GLU 40 HA GLU 40 4.899 12.495 -4.164 279 HB2 GLU 40 1HB GLU 40 4.985 14.842 -5.284 280 HB3 GLU 40 2HB GLU 40 4.232 15.398 -3.796 281 HG2 GLU 40 1HG GLU 40 6.094 15.023 -2.543 282 HG3 GLU 40 2HG GLU 40 6.659 13.710 -3.573 283 H GLY 41 H GLY 41 2.359 11.666 -3.319 284 HA2 GLY 41 1HA GLY 41 2.620 11.997 -0.505 285 HA3 GLY 41 2HA GLY 41 1.264 12.934 -1.115 286 H TRP 42 H TRP 42 0.355 11.220 -3.120 287 HA TRP 42 HA TRP 42 -0.608 8.956 -1.501 288 HB2 TRP 42 1HB TRP 42 -1.961 10.400 -3.791 289 HB3 TRP 42 2HB TRP 42 -2.617 8.994 -2.956 290 HD1 TRP 42 HD TRP 42 -2.143 12.745 -2.584 291 HE1 TRP 42 1HE TRP 42 -3.448 13.554 -0.518 292 HE3 TRP 42 3HE TRP 42 -3.428 8.209 -0.606 293 HZ2 TRP 42 2HZ TRP 42 -4.837 12.420 1.662 294 HZ3 TRP 42 3HZ TRP 42 -4.745 8.159 1.472 295 HH2 TRP 42 HH TRP 42 -5.433 10.222 2.581 296 H TRP 43 H TRP 43 0.175 7.049 -2.077 297 HA TRP 43 HA TRP 43 0.956 6.637 -4.888 298 HB2 TRP 43 1HB TRP 43 2.009 5.299 -2.386 299 HB3 TRP 43 2HB TRP 43 2.494 4.889 -4.029 300 HD1 TRP 43 HD TRP 43 2.556 8.141 -4.850 301 HE1 TRP 43 1HE TRP 43 4.671 9.441 -4.173 302 HE3 TRP 43 3HE TRP 43 4.317 4.994 -1.227 303 HZ2 TRP 43 2HZ TRP 43 6.805 9.168 -2.345 304 HZ3 TRP 43 3HZ TRP 43 6.402 5.586 -0.062 305 HH2 TRP 43 HH TRP 43 7.619 7.630 -0.611 306 H LEU 44 H LEU 44 0.462 4.649 -5.885 307 HA LEU 44 HA LEU 44 -1.925 3.372 -4.789 308 HB2 LEU 44 1HB LEU 44 -2.149 4.121 -7.039 309 HB3 LEU 44 2HB LEU 44 -0.646 3.332 -7.512 310 HG LEU 44 HG LEU 44 -1.766 1.133 -7.073 311 HD11 LEU 44 1HD1 LEU 44 -3.517 1.924 -5.576 312 HD12 LEU 44 2HD1 LEU 44 -4.205 1.096 -6.972 313 HD13 LEU 44 3HD1 LEU 44 -4.233 2.857 -6.890 314 HD21 LEU 44 1HD2 LEU 44 -2.395 1.027 -9.231 315 HD22 LEU 44 2HD2 LEU 44 -1.737 2.662 -9.301 316 HD23 LEU 44 3HD2 LEU 44 -3.472 2.416 -9.098 317 H ALA 45 H ALA 45 -1.310 1.860 -3.331 318 HA ALA 45 HA ALA 45 0.627 -0.174 -4.227 319 HB1 ALA 45 1HB ALA 45 -0.100 0.451 -1.372 320 HB2 ALA 45 2HB ALA 45 1.219 -0.566 -1.954 321 HB3 ALA 45 3HB ALA 45 1.268 1.177 -2.217 322 H ARG 46 H ARG 46 0.238 -2.348 -3.090 323 HA ARG 46 HA ARG 46 -2.643 -2.916 -2.921 324 HB2 ARG 46 1HB ARG 46 -2.403 -4.901 -4.241 325 HB3 ARG 46 2HB ARG 46 -1.702 -3.568 -5.148 326 HG2 ARG 46 1HG ARG 46 0.523 -4.369 -4.034 327 HG3 ARG 46 2HG ARG 46 -0.364 -5.883 -3.839 328 HD2 ARG 46 1HD ARG 46 -0.881 -5.787 -6.289 329 HD3 ARG 46 2HD ARG 46 0.222 -4.416 -6.404 330 HE ARG 46 HE ARG 46 1.736 -6.321 -5.231 331 HH11 ARG 46 2HH1 ARG 46 -0.239 -6.276 -8.097 332 HH12 ARG 46 1HH1 ARG 46 0.730 -7.438 -8.941 333 HH21 ARG 46 2HH2 ARG 46 3.020 -7.852 -6.331 334 HH22 ARG 46 1HH2 ARG 46 2.583 -8.335 -7.935 335 H HIS 47 H HIS 47 -3.142 -4.951 -1.805 336 HA HIS 47 HA HIS 47 -1.590 -5.193 0.590 337 HB2 HIS 47 1HB HIS 47 -4.148 -6.317 -0.433 338 HB3 HIS 47 2HB HIS 47 -3.328 -7.210 0.844 339 HD1 HIS 47 1HD HIS 47 -2.672 -5.572 2.997 340 HD2 HIS 47 2HD HIS 47 -5.791 -4.397 0.516 341 HE1 HIS 47 1HE HIS 47 -4.009 -3.916 4.336 342 HE2 HIS 47 2HE HIS 47 -5.939 -3.283 2.846 343 H LEU 48 H LEU 48 -0.038 -6.614 1.062 344 HA LEU 48 HA LEU 48 0.615 -8.652 -0.935 345 HB2 LEU 48 1HB LEU 48 2.234 -7.646 1.399 346 HB3 LEU 48 2HB LEU 48 2.790 -8.766 0.158 347 HG LEU 48 HG LEU 48 1.950 -5.932 -0.426 348 HD11 LEU 48 1HD1 LEU 48 4.464 -7.009 0.658 349 HD12 LEU 48 2HD1 LEU 48 3.799 -5.378 0.729 350 HD13 LEU 48 3HD1 LEU 48 4.631 -5.927 -0.725 351 HD21 LEU 48 1HD2 LEU 48 1.960 -7.703 -2.246 352 HD22 LEU 48 2HD2 LEU 48 3.711 -7.760 -2.038 353 HD23 LEU 48 3HD2 LEU 48 2.930 -6.260 -2.541 354 H GLU 49 H GLU 49 0.031 -8.274 2.535 355 HA GLU 49 HA GLU 49 0.540 -10.775 3.492 356 HB2 GLU 49 1HB GLU 49 -1.656 -8.833 4.161 357 HB3 GLU 49 2HB GLU 49 -1.505 -10.364 5.012 358 HG2 GLU 49 1HG GLU 49 0.940 -9.619 5.414 359 HG3 GLU 49 2HG GLU 49 0.334 -8.012 5.016 360 H LYS 50 H LYS 50 -0.751 -12.656 3.865 361 HA LYS 50 HA LYS 50 -2.617 -13.177 1.660 362 HB2 LYS 50 1HB LYS 50 -0.625 -14.648 1.883 363 HB3 LYS 50 2HB LYS 50 -1.206 -15.150 3.465 364 HG2 LYS 50 1HG LYS 50 -1.947 -16.868 2.145 365 HG3 LYS 50 2HG LYS 50 -3.360 -15.809 2.152 366 HD2 LYS 50 1HD LYS 50 -2.811 -14.945 -0.007 367 HD3 LYS 50 2HD LYS 50 -1.241 -15.752 0.009 368 HE2 LYS 50 1HE LYS 50 -2.465 -17.183 -1.311 369 HE3 LYS 50 2HE LYS 50 -2.685 -17.914 0.278 370 HZ1 LYS 50 1HZ LYS 50 -4.606 -16.450 -1.377 371 HZ2 LYS 50 2HZ LYS 50 -4.755 -16.332 0.303 372 HZ3 LYS 50 3HZ LYS 50 -4.827 -17.846 -0.447 373 H LYS 51 H LYS 51 -4.715 -13.214 2.083 374 HA LYS 51 HA LYS 51 -5.612 -14.081 4.746 375 HB2 LYS 51 1HB LYS 51 -5.673 -11.537 4.328 376 HB3 LYS 51 2HB LYS 51 -7.002 -11.884 3.231 377 HG2 LYS 51 1HG LYS 51 -8.355 -12.716 4.980 378 HG3 LYS 51 2HG LYS 51 -6.994 -12.764 6.104 379 HD2 LYS 51 1HD LYS 51 -7.821 -10.170 4.865 380 HD3 LYS 51 2HD LYS 51 -8.721 -10.817 6.238 381 HE2 LYS 51 1HE LYS 51 -5.740 -10.366 6.207 382 HE3 LYS 51 2HE LYS 51 -6.912 -9.229 6.869 383 HZ1 LYS 51 1HZ LYS 51 -7.657 -11.107 8.338 384 HZ2 LYS 51 2HZ LYS 51 -6.117 -10.492 8.669 385 HZ3 LYS 51 3HZ LYS 51 -6.282 -11.956 7.838 386 H GLY 52 H GLY 52 -6.597 -15.967 4.379 387 HA2 GLY 52 1HA GLY 52 -8.090 -16.382 1.907 388 HA3 GLY 52 2HA GLY 52 -7.701 -17.606 3.107 389 H THR 53 H THR 53 -9.551 -14.559 2.944 390 HA THR 53 HA THR 53 -11.759 -15.958 4.307 391 HB THR 53 HB THR 53 -11.048 -13.047 4.701 392 HG1 THR 53 1HG THR 53 -9.695 -14.960 5.652 393 HG21 THR 53 1HG2 THR 53 -13.443 -13.684 4.985 394 HG22 THR 53 2HG2 THR 53 -12.688 -13.085 6.462 395 HG23 THR 53 3HG2 THR 53 -12.947 -14.816 6.243 396 H GLY 54 H GLY 54 -13.791 -15.638 3.518 397 HA2 GLY 54 1HA GLY 54 -14.006 -14.510 0.881 398 HA3 GLY 54 2HA GLY 54 -15.297 -15.268 1.801 399 H LEU 55 H LEU 55 -13.249 -12.445 2.502 400 HA LEU 55 HA LEU 55 -15.567 -10.694 2.282 401 HB2 LEU 55 1HB LEU 55 -15.484 -11.578 4.622 402 HB3 LEU 55 2HB LEU 55 -13.917 -10.792 4.800 403 HG LEU 55 HG LEU 55 -15.251 -8.640 4.139 404 HD11 LEU 55 1HD1 LEU 55 -17.531 -8.611 4.616 405 HD12 LEU 55 2HD1 LEU 55 -17.474 -10.162 5.451 406 HD13 LEU 55 3HD1 LEU 55 -17.313 -10.100 3.696 407 HD21 LEU 55 1HD2 LEU 55 -16.086 -8.844 6.748 408 HD22 LEU 55 2HD2 LEU 55 -14.489 -8.321 6.214 409 HD23 LEU 55 3HD2 LEU 55 -14.760 -10.004 6.667 410 H GLY 56 H GLY 56 -14.911 -9.070 1.044 411 HA2 GLY 56 1HA GLY 56 -12.855 -7.305 1.698 412 HA3 GLY 56 2HA GLY 56 -12.192 -8.462 0.553 413 H GLN 57 H GLN 57 -12.846 -5.514 0.410 414 HA GLN 57 HA GLN 57 -14.682 -5.588 -1.886 415 HB2 GLN 57 1HB GLN 57 -13.822 -3.182 -0.274 416 HB3 GLN 57 2HB GLN 57 -15.066 -3.226 -1.517 417 HG2 GLN 57 1HG GLN 57 -15.331 -4.998 0.860 418 HG3 GLN 57 2HG GLN 57 -15.695 -3.280 1.016 419 HE21 GLN 57 1HE2 GLN 57 -16.687 -6.310 -0.285 420 HE22 GLN 57 2HE2 GLN 57 -18.222 -5.796 -0.886 421 H GLN 58 H GLN 58 -11.566 -4.341 -0.775 422 HA GLN 58 HA GLN 58 -10.668 -4.269 -3.557 423 HB2 GLN 58 1HB GLN 58 -11.361 -1.977 -3.035 424 HB3 GLN 58 2HB GLN 58 -10.319 -1.976 -1.618 425 HG2 GLN 58 1HG GLN 58 -8.377 -1.904 -2.888 426 HG3 GLN 58 2HG GLN 58 -9.195 -2.470 -4.344 427 HE21 GLN 58 1HE2 GLN 58 -8.192 0.220 -2.539 428 HE22 GLN 58 2HE2 GLN 58 -8.895 1.449 -3.528 429 H LEU 59 H LEU 59 -8.267 -4.029 -3.704 430 HA LEU 59 HA LEU 59 -6.925 -5.170 -1.345 431 HB2 LEU 59 1HB LEU 59 -5.567 -6.549 -2.827 432 HB3 LEU 59 2HB LEU 59 -7.282 -6.925 -2.978 433 HG LEU 59 HG LEU 59 -6.024 -5.044 -4.926 434 HD11 LEU 59 1HD1 LEU 59 -5.333 -7.864 -4.581 435 HD12 LEU 59 2HD1 LEU 59 -4.516 -6.595 -5.493 436 HD13 LEU 59 3HD1 LEU 59 -5.884 -7.449 -6.204 437 HD21 LEU 59 1HD2 LEU 59 -7.983 -5.264 -5.945 438 HD22 LEU 59 2HD2 LEU 59 -8.546 -6.212 -4.568 439 HD23 LEU 59 3HD2 LEU 59 -7.830 -7.021 -5.963 440 H GLN 60 H GLN 60 -6.782 -3.083 -4.132 441 HA GLN 60 HA GLN 60 -4.344 -1.869 -3.031 442 HB2 GLN 60 1HB GLN 60 -3.409 -1.579 -5.243 443 HB3 GLN 60 2HB GLN 60 -3.744 -3.284 -4.973 444 HG2 GLN 60 1HG GLN 60 -5.874 -2.986 -6.236 445 HG3 GLN 60 2HG GLN 60 -5.342 -1.352 -6.631 446 HE21 GLN 60 1HE2 GLN 60 -3.418 -1.108 -7.890 447 HE22 GLN 60 2HE2 GLN 60 -2.928 -2.356 -8.979 448 H GLY 61 H GLY 61 -4.288 0.332 -3.045 449 HA2 GLY 61 1HA GLY 61 -6.050 1.895 -4.696 450 HA3 GLY 61 2HA GLY 61 -6.559 1.843 -3.014 451 H TYR 62 H TYR 62 -6.208 4.215 -3.275 452 HA TYR 62 HA TYR 62 -3.474 5.129 -3.407 453 HB2 TYR 62 1HB TYR 62 -6.110 6.520 -2.958 454 HB3 TYR 62 2HB TYR 62 -4.573 7.369 -2.847 455 HD1 TYR 62 2HD TYR 62 -3.033 6.247 -5.049 456 HD2 TYR 62 1HD TYR 62 -7.157 7.279 -4.884 457 HE1 TYR 62 2HE TYR 62 -3.039 6.585 -7.485 458 HE2 TYR 62 1HE TYR 62 -7.176 7.619 -7.320 459 HH TYR 62 HH TYR 62 -4.490 8.003 -9.142 460 H ILE 63 H ILE 63 -2.129 5.318 -1.748 461 HA ILE 63 HA ILE 63 -3.234 5.628 0.958 462 HB ILE 63 HB ILE 63 -1.572 4.100 1.870 463 HG12 ILE 63 1HG1 ILE 63 -0.872 3.282 -0.944 464 HG13 ILE 63 2HG1 ILE 63 0.044 4.515 -0.085 465 HG21 ILE 63 1HG2 ILE 63 -3.586 3.008 1.514 466 HG22 ILE 63 2HG2 ILE 63 -3.433 3.085 -0.241 467 HG23 ILE 63 3HG2 ILE 63 -2.429 1.967 0.683 468 HD11 ILE 63 1HD1 ILE 63 0.570 2.895 1.665 469 HD12 ILE 63 2HD1 ILE 63 -0.334 1.661 0.787 470 HD13 ILE 63 3HD1 ILE 63 1.124 2.356 0.080 471 HA PRO 64 HA PRO 64 -0.323 8.911 1.308 472 HB2 PRO 64 1HB PRO 64 -0.129 9.035 4.013 473 HB3 PRO 64 2HB PRO 64 -1.548 9.603 3.125 474 HG2 PRO 64 1HG PRO 64 -1.125 7.011 4.561 475 HG3 PRO 64 2HG PRO 64 -2.551 8.064 4.551 476 HD2 PRO 64 1HD PRO 64 -2.385 5.822 3.042 477 HD3 PRO 64 2HD PRO 64 -3.286 7.260 2.520 478 H SER 65 H SER 65 1.846 9.132 1.337 479 HA SER 65 HA SER 65 3.466 6.812 1.808 480 HB2 SER 65 1HB SER 65 5.345 8.288 1.122 481 HB3 SER 65 2HB SER 65 4.014 8.306 -0.034 482 HG SER 65 HG SER 65 5.101 10.360 1.237 483 H ASN 66 H ASN 66 2.981 9.929 3.399 484 HA ASN 66 HA ASN 66 5.026 9.804 5.279 485 HB2 ASN 66 1HB ASN 66 2.372 11.164 5.157 486 HB3 ASN 66 2HB ASN 66 3.217 11.133 6.702 487 HD21 ASN 66 1HD2 ASN 66 2.635 13.458 5.244 488 HD22 ASN 66 2HD2 ASN 66 4.129 14.177 4.756 489 H TYR 67 H TYR 67 2.320 7.805 4.959 490 HA TYR 67 HA TYR 67 2.198 7.082 7.775 491 HB2 TYR 67 1HB TYR 67 0.620 6.315 5.337 492 HB3 TYR 67 2HB TYR 67 0.502 5.364 6.813 493 HD1 TYR 67 1HD TYR 67 0.633 9.036 6.101 494 HD2 TYR 67 2HD TYR 67 -1.458 5.815 7.933 495 HE1 TYR 67 1HE TYR 67 -1.026 10.623 6.983 496 HE2 TYR 67 2HE TYR 67 -3.124 7.393 8.819 497 HH TYR 67 HH TYR 67 -2.886 10.878 8.162 498 H VAL 68 H VAL 68 3.429 5.848 4.742 499 HA VAL 68 HA VAL 68 4.415 3.444 6.127 500 HB VAL 68 HB VAL 68 4.553 2.329 4.042 501 HG11 VAL 68 1HG1 VAL 68 2.307 2.200 3.399 502 HG12 VAL 68 2HG1 VAL 68 2.248 2.768 5.069 503 HG13 VAL 68 3HG1 VAL 68 2.018 3.906 3.740 504 HG21 VAL 68 1HG2 VAL 68 5.493 4.225 2.768 505 HG22 VAL 68 2HG2 VAL 68 4.210 3.387 1.894 506 HG23 VAL 68 3HG2 VAL 68 3.880 4.933 2.675 507 H ALA 69 H ALA 69 6.538 2.619 5.088 508 HA ALA 69 HA ALA 69 8.344 4.715 4.225 509 HB1 ALA 69 1HB ALA 69 8.733 5.172 6.444 510 HB2 ALA 69 2HB ALA 69 8.461 3.504 6.948 511 HB3 ALA 69 3HB ALA 69 9.960 3.945 6.130 512 H GLU 70 H GLU 70 10.569 3.818 3.817 513 HA GLU 70 HA GLU 70 10.324 1.382 2.336 514 HB2 GLU 70 1HB GLU 70 12.522 3.357 2.821 515 HB3 GLU 70 2HB GLU 70 12.900 1.797 2.104 516 HG2 GLU 70 1HG GLU 70 11.150 2.297 0.368 517 HG3 GLU 70 2HG GLU 70 11.093 3.935 1.017 518 H ASP 71 H ASP 71 10.236 -0.499 3.384 519 HA ASP 71 HA ASP 71 11.830 -0.905 5.795 520 HB2 ASP 71 1HB ASP 71 9.311 -1.606 5.366 521 HB3 ASP 71 2HB ASP 71 10.068 -3.034 4.663 522 H SER 72 H SER 72 12.847 -3.138 6.015 523 HA SER 72 HA SER 72 14.878 -3.407 4.096 524 HB2 SER 72 1HB SER 72 13.949 -5.335 6.237 525 HB3 SER 72 2HB SER 72 15.435 -5.523 5.306 526 HG SER 72 HG SER 72 16.268 -3.732 6.260 527 H GLY 73 H GLY 73 12.162 -5.613 4.813 528 HA2 GLY 73 1HA GLY 73 10.931 -6.244 2.667 529 HA3 GLY 73 2HA GLY 73 12.518 -6.762 2.119 530 HA PRO 74 HA PRO 74 12.132 -10.694 4.020 531 HB2 PRO 74 1HB PRO 74 14.346 -11.011 5.558 532 HB3 PRO 74 2HB PRO 74 14.393 -11.028 3.791 533 HG2 PRO 74 1HG PRO 74 15.046 -8.801 5.682 534 HG3 PRO 74 2HG PRO 74 15.908 -9.317 4.221 535 HD2 PRO 74 1HD PRO 74 14.238 -7.186 4.252 536 HD3 PRO 74 2HD PRO 74 14.449 -8.212 2.819 537 H SER 75 H SER 75 10.288 -10.345 5.318 538 HA SER 75 HA SER 75 10.515 -9.315 7.986 539 HB2 SER 75 1HB SER 75 8.451 -9.242 6.440 540 HB3 SER 75 2HB SER 75 8.179 -10.909 6.948 541 HG SER 75 HG SER 75 8.617 -8.933 8.890 542 H SER 76 H SER 76 12.141 -10.710 8.850 543 HA SER 76 HA SER 76 11.611 -13.533 9.103 544 HB2 SER 76 1HB SER 76 13.693 -13.561 10.443 545 HB3 SER 76 2HB SER 76 13.917 -12.756 8.890 546 HG SER 76 HG SER 76 13.578 -11.543 11.430 547 H GLY 77 H GLY 77 9.763 -13.836 10.291 548 HA2 GLY 77 1HA GLY 77 9.437 -14.425 12.737 549 HA3 GLY 77 2HA GLY 77 9.754 -12.720 13.024 Start of MODEL 15 1 H1 GLY 1 H GLY 1 8.733 -16.705 -5.016 2 HA2 GLY 1 1HA GLY 1 9.890 -14.440 -6.166 3 HA3 GLY 1 2HA GLY 1 10.271 -16.098 -6.607 4 H SER 2 H SER 2 8.415 -13.265 -7.397 5 HA SER 2 HA SER 2 7.259 -14.561 -9.746 6 HB2 SER 2 1HB SER 2 6.819 -11.883 -8.432 7 HB3 SER 2 2HB SER 2 6.165 -12.256 -10.026 8 HG SER 2 HG SER 2 5.172 -14.123 -8.990 9 H SER 3 H SER 3 8.665 -14.736 -11.379 10 HA SER 3 HA SER 3 10.388 -14.233 -12.815 11 HB2 SER 3 1HB SER 3 8.468 -11.929 -12.941 12 HB3 SER 3 2HB SER 3 9.924 -11.917 -13.935 13 HG SER 3 HG SER 3 9.092 -14.197 -14.463 14 H GLY 4 H GLY 4 11.392 -13.931 -10.344 15 HA2 GLY 4 1HA GLY 4 13.466 -13.056 -9.637 16 HA3 GLY 4 2HA GLY 4 13.231 -11.689 -10.715 17 H SER 5 H SER 5 13.447 -9.993 -9.365 18 HA SER 5 HA SER 5 11.602 -9.876 -7.070 19 HB2 SER 5 1HB SER 5 13.816 -10.037 -6.168 20 HB3 SER 5 2HB SER 5 14.428 -8.826 -7.295 21 HG SER 5 HG SER 5 13.973 -7.450 -5.783 22 H SER 6 H SER 6 9.975 -8.725 -8.012 23 HA SER 6 HA SER 6 10.657 -5.993 -8.864 24 HB2 SER 6 1HB SER 6 10.154 -7.129 -10.903 25 HB3 SER 6 2HB SER 6 8.748 -7.922 -10.192 26 HG SER 6 HG SER 6 8.745 -5.700 -11.527 27 H GLY 7 H GLY 7 9.495 -4.420 -7.927 28 HA2 GLY 7 1HA GLY 7 7.255 -3.666 -7.206 29 HA3 GLY 7 2HA GLY 7 7.086 -5.227 -6.416 30 H GLN 8 H GLN 8 7.585 -2.077 -5.813 31 HA GLN 8 HA GLN 8 9.637 -2.282 -3.801 32 HB2 GLN 8 1HB GLN 8 7.847 -0.101 -4.800 33 HB3 GLN 8 2HB GLN 8 8.671 0.099 -3.259 34 HG2 GLN 8 1HG GLN 8 10.803 -0.049 -4.278 35 HG3 GLN 8 2HG GLN 8 10.107 -0.585 -5.806 36 HE21 GLN 8 1HE2 GLN 8 9.664 0.893 -7.296 37 HE22 GLN 8 2HE2 GLN 8 9.663 2.602 -7.045 38 H TYR 9 H TYR 9 9.388 -2.689 -1.694 39 HA TYR 9 HA TYR 9 6.652 -3.061 -0.693 40 HB2 TYR 9 1HB TYR 9 9.193 -4.062 0.590 41 HB3 TYR 9 2HB TYR 9 7.544 -4.585 0.911 42 HD1 TYR 9 2HD TYR 9 6.379 -5.200 -1.596 43 HD2 TYR 9 1HD TYR 9 10.418 -5.754 -0.378 44 HE1 TYR 9 2HE TYR 9 6.625 -7.003 -3.251 45 HE2 TYR 9 1HE TYR 9 10.676 -7.557 -2.031 46 HH TYR 9 HH TYR 9 8.866 -9.242 -3.214 47 H PHE 10 H PHE 10 5.912 -2.023 1.099 48 HA PHE 10 HA PHE 10 7.752 -0.231 2.520 49 HB2 PHE 10 1HB PHE 10 5.226 0.502 1.090 50 HB3 PHE 10 2HB PHE 10 5.677 1.385 2.545 51 HD1 PHE 10 1HD PHE 10 7.153 0.255 -0.687 52 HD2 PHE 10 2HD PHE 10 6.989 3.258 2.325 53 HE1 PHE 10 1HE PHE 10 8.659 1.671 -2.022 54 HE2 PHE 10 2HE PHE 10 8.494 4.679 0.995 55 HZ PHE 10 HZ PHE 10 9.330 3.887 -1.182 56 H VAL 11 H VAL 11 6.942 0.483 4.615 57 HA VAL 11 HA VAL 11 4.978 -1.396 5.759 58 HB VAL 11 HB VAL 11 7.224 -1.955 6.535 59 HG11 VAL 11 1HG1 VAL 11 8.748 -0.482 7.330 60 HG12 VAL 11 2HG1 VAL 11 7.826 0.648 6.336 61 HG13 VAL 11 3HG1 VAL 11 7.526 0.551 8.071 62 HG21 VAL 11 1HG2 VAL 11 5.107 -0.992 8.333 63 HG22 VAL 11 2HG2 VAL 11 5.912 -2.560 8.264 64 HG23 VAL 11 3HG2 VAL 11 6.689 -1.204 9.083 65 H ALA 12 H ALA 12 3.422 -0.576 7.068 66 HA ALA 12 HA ALA 12 3.005 2.267 7.024 67 HB1 ALA 12 1HB ALA 12 1.446 -0.108 7.872 68 HB2 ALA 12 2HB ALA 12 1.024 1.446 8.593 69 HB3 ALA 12 3HB ALA 12 0.982 1.247 6.841 70 H LEU 13 H LEU 13 4.158 3.517 8.352 71 HA LEU 13 HA LEU 13 5.280 2.663 10.800 72 HB2 LEU 13 1HB LEU 13 4.733 5.489 9.911 73 HB3 LEU 13 2HB LEU 13 5.888 4.974 11.137 74 HG LEU 13 HG LEU 13 6.195 4.002 8.329 75 HD11 LEU 13 1HD1 LEU 13 6.413 6.779 9.231 76 HD12 LEU 13 2HD1 LEU 13 6.281 6.118 7.602 77 HD13 LEU 13 3HD1 LEU 13 7.847 6.161 8.411 78 HD21 LEU 13 1HD2 LEU 13 8.650 4.444 9.180 79 HD22 LEU 13 2HD2 LEU 13 7.772 2.983 9.633 80 HD23 LEU 13 3HD2 LEU 13 7.876 4.336 10.761 81 H PHE 14 H PHE 14 2.325 4.408 9.992 82 HA PHE 14 HA PHE 14 1.379 3.932 12.728 83 HB2 PHE 14 1HB PHE 14 0.745 6.509 11.312 84 HB3 PHE 14 2HB PHE 14 0.582 6.126 13.022 85 HD1 PHE 14 1HD PHE 14 2.495 6.189 14.501 86 HD2 PHE 14 2HD PHE 14 2.878 7.126 10.367 87 HE1 PHE 14 1HE PHE 14 4.702 7.185 14.935 88 HE2 PHE 14 2HE PHE 14 5.087 8.122 10.794 89 HZ PHE 14 HZ PHE 14 6.002 8.152 13.080 90 H ASP 15 H ASP 15 -0.875 3.694 12.942 91 HA ASP 15 HA ASP 15 -2.159 2.413 10.793 92 HB2 ASP 15 1HB ASP 15 -4.212 2.588 12.261 93 HB3 ASP 15 2HB ASP 15 -2.812 1.822 13.007 94 H TYR 16 H TYR 16 -3.913 3.038 9.507 95 HA TYR 16 HA TYR 16 -4.763 5.818 9.543 96 HB2 TYR 16 1HB TYR 16 -2.938 6.134 8.100 97 HB3 TYR 16 2HB TYR 16 -3.180 4.583 7.304 98 HD1 TYR 16 1HD TYR 16 -4.916 4.318 5.598 99 HD2 TYR 16 2HD TYR 16 -4.192 8.085 7.438 100 HE1 TYR 16 1HE TYR 16 -6.196 5.428 3.815 101 HE2 TYR 16 2HE TYR 16 -5.470 9.205 5.660 102 HH TYR 16 HH TYR 16 -6.306 8.907 3.526 103 H GLN 17 H GLN 17 -6.762 6.150 8.626 104 HA GLN 17 HA GLN 17 -8.130 3.736 7.635 105 HB2 GLN 17 1HB GLN 17 -8.992 4.406 9.807 106 HB3 GLN 17 2HB GLN 17 -9.251 6.046 9.229 107 HG2 GLN 17 1HG GLN 17 -10.912 5.206 7.631 108 HG3 GLN 17 2HG GLN 17 -10.673 3.577 8.260 109 HE21 GLN 17 1HE2 GLN 17 -12.409 3.048 9.376 110 HE22 GLN 17 2HE2 GLN 17 -13.195 4.032 10.558 111 H ALA 18 H ALA 18 -8.537 3.846 5.537 112 HA ALA 18 HA ALA 18 -8.305 6.115 3.940 113 HB1 ALA 18 1HB ALA 18 -8.664 4.706 2.237 114 HB2 ALA 18 2HB ALA 18 -8.644 3.449 3.474 115 HB3 ALA 18 3HB ALA 18 -10.179 4.114 2.918 116 H ARG 19 H ARG 19 -9.469 7.911 4.254 117 HA ARG 19 HA ARG 19 -12.057 8.024 5.330 118 HB2 ARG 19 1HB ARG 19 -10.429 9.981 3.721 119 HB3 ARG 19 2HB ARG 19 -12.051 10.367 4.281 120 HG2 ARG 19 1HG ARG 19 -10.035 9.390 6.243 121 HG3 ARG 19 2HG ARG 19 -9.957 11.059 5.675 122 HD2 ARG 19 1HD ARG 19 -12.448 11.171 6.272 123 HD3 ARG 19 2HD ARG 19 -12.163 9.684 7.175 124 HE ARG 19 HE ARG 19 -10.262 11.651 7.893 125 HH11 ARG 19 2HH1 ARG 19 -13.616 10.807 8.300 126 HH12 ARG 19 1HH1 ARG 19 -13.765 11.604 9.831 127 HH21 ARG 19 2HH2 ARG 19 -10.447 12.703 9.908 128 HH22 ARG 19 1HH2 ARG 19 -11.962 12.683 10.745 129 H THR 20 H THR 20 -10.908 7.854 2.008 130 HA THR 20 HA THR 20 -13.709 7.646 1.110 131 HB THR 20 HB THR 20 -13.085 8.520 -1.031 132 HG1 THR 20 1HG THR 20 -10.401 8.655 -0.077 133 HG21 THR 20 1HG2 THR 20 -11.596 10.603 0.116 134 HG22 THR 20 2HG2 THR 20 -12.639 9.994 1.401 135 HG23 THR 20 3HG2 THR 20 -13.341 10.539 -0.121 136 H ALA 21 H ALA 21 -14.161 6.146 -0.594 137 HA ALA 21 HA ALA 21 -13.024 3.618 -0.246 138 HB1 ALA 21 1HB ALA 21 -15.042 3.297 -1.173 139 HB2 ALA 21 2HB ALA 21 -14.995 4.828 -2.049 140 HB3 ALA 21 3HB ALA 21 -14.169 3.413 -2.701 141 H GLU 22 H GLU 22 -12.483 6.046 -2.776 142 HA GLU 22 HA GLU 22 -10.874 4.655 -4.506 143 HB2 GLU 22 1HB GLU 22 -10.972 7.521 -3.669 144 HB3 GLU 22 2HB GLU 22 -9.650 6.988 -4.698 145 HG2 GLU 22 1HG GLU 22 -11.512 7.925 -5.977 146 HG3 GLU 22 2HG GLU 22 -11.205 6.237 -6.380 147 H ASP 23 H ASP 23 -10.057 5.953 -1.359 148 HA ASP 23 HA ASP 23 -7.243 5.283 -1.679 149 HB2 ASP 23 1HB ASP 23 -8.854 6.694 0.420 150 HB3 ASP 23 2HB ASP 23 -7.255 6.070 0.817 151 H LEU 24 H LEU 24 -6.172 4.038 0.105 152 HA LEU 24 HA LEU 24 -7.855 1.739 0.851 153 HB2 LEU 24 1HB LEU 24 -6.041 1.267 -0.761 154 HB3 LEU 24 2HB LEU 24 -4.870 1.820 0.434 155 HG LEU 24 HG LEU 24 -6.016 -0.081 1.888 156 HD11 LEU 24 1HD1 LEU 24 -7.076 -0.504 -0.753 157 HD12 LEU 24 2HD1 LEU 24 -7.456 -1.332 0.756 158 HD13 LEU 24 3HD1 LEU 24 -6.108 -1.886 -0.237 159 HD21 LEU 24 1HD2 LEU 24 -3.777 -0.367 1.691 160 HD22 LEU 24 2HD2 LEU 24 -3.780 -0.087 -0.050 161 HD23 LEU 24 3HD2 LEU 24 -4.287 -1.650 0.594 162 H SER 25 H SER 25 -7.502 0.745 2.891 163 HA SER 25 HA SER 25 -6.361 2.587 4.886 164 HB2 SER 25 1HB SER 25 -7.972 1.860 6.441 165 HB3 SER 25 2HB SER 25 -8.870 1.984 4.928 166 HG SER 25 HG SER 25 -8.391 -0.190 6.472 167 H PHE 26 H PHE 26 -5.213 1.700 6.673 168 HA PHE 26 HA PHE 26 -4.474 -1.084 6.668 169 HB2 PHE 26 1HB PHE 26 -2.005 -0.546 6.489 170 HB3 PHE 26 2HB PHE 26 -2.922 -0.414 4.992 171 HD1 PHE 26 1HD PHE 26 -3.455 1.789 4.054 172 HD2 PHE 26 2HD PHE 26 -0.997 1.361 7.502 173 HE1 PHE 26 1HE PHE 26 -2.651 4.097 3.763 174 HE2 PHE 26 2HE PHE 26 -0.190 3.667 7.217 175 HZ PHE 26 HZ PHE 26 -1.017 5.039 5.347 176 H ARG 27 H ARG 27 -2.676 -1.438 8.382 177 HA ARG 27 HA ARG 27 -3.261 0.333 10.663 178 HB2 ARG 27 1HB ARG 27 -2.679 -2.630 10.599 179 HB3 ARG 27 2HB ARG 27 -2.746 -1.680 12.078 180 HG2 ARG 27 1HG ARG 27 -5.113 -1.009 11.147 181 HG3 ARG 27 2HG ARG 27 -4.940 -2.527 10.263 182 HD2 ARG 27 1HD ARG 27 -4.266 -3.481 12.594 183 HD3 ARG 27 2HD ARG 27 -5.094 -2.052 13.209 184 HE ARG 27 HE ARG 27 -7.090 -3.022 12.662 185 HH11 ARG 27 2HH1 ARG 27 -4.529 -4.673 10.978 186 HH12 ARG 27 1HH1 ARG 27 -5.559 -5.926 10.371 187 HH21 ARG 27 2HH2 ARG 27 -8.457 -4.666 11.868 188 HH22 ARG 27 1HH2 ARG 27 -7.794 -5.921 10.877 189 H ALA 28 H ALA 28 -1.497 0.140 12.412 190 HA ALA 28 HA ALA 28 0.964 0.992 11.233 191 HB1 ALA 28 1HB ALA 28 0.115 2.013 13.279 192 HB2 ALA 28 2HB ALA 28 0.286 0.475 14.126 193 HB3 ALA 28 3HB ALA 28 1.717 1.320 13.534 194 H GLY 29 H GLY 29 2.212 -0.508 10.279 195 HA2 GLY 29 1HA GLY 29 4.004 -2.077 10.665 196 HA3 GLY 29 2HA GLY 29 3.027 -2.811 11.928 197 H ASP 30 H ASP 30 1.744 -1.909 8.799 198 HA ASP 30 HA ASP 30 1.163 -4.735 8.292 199 HB2 ASP 30 1HB ASP 30 -0.688 -4.070 7.093 200 HB3 ASP 30 2HB ASP 30 -0.562 -2.735 8.234 201 H LYS 31 H LYS 31 1.234 -5.441 5.977 202 HA LYS 31 HA LYS 31 3.696 -4.426 4.728 203 HB2 LYS 31 1HB LYS 31 2.369 -7.114 4.337 204 HB3 LYS 31 2HB LYS 31 3.932 -6.615 3.702 205 HG2 LYS 31 1HG LYS 31 3.432 -6.609 6.648 206 HG3 LYS 31 2HG LYS 31 3.830 -8.109 5.807 207 HD2 LYS 31 1HD LYS 31 5.895 -7.130 4.986 208 HD3 LYS 31 2HD LYS 31 5.486 -5.586 5.738 209 HE2 LYS 31 1HE LYS 31 5.604 -8.049 7.419 210 HE3 LYS 31 2HE LYS 31 7.106 -7.268 6.928 211 HZ1 LYS 31 1HZ LYS 31 6.627 -5.388 8.132 212 HZ2 LYS 31 2HZ LYS 31 5.963 -6.582 9.128 213 HZ3 LYS 31 3HZ LYS 31 4.957 -5.659 8.130 214 H LEU 32 H LEU 32 3.299 -3.078 3.103 215 HA LEU 32 HA LEU 32 1.177 -3.791 1.192 216 HB2 LEU 32 1HB LEU 32 1.932 -0.983 1.977 217 HB3 LEU 32 2HB LEU 32 0.627 -1.471 0.897 218 HG LEU 32 HG LEU 32 0.671 -2.219 3.811 219 HD11 LEU 32 1HD1 LEU 32 -0.516 -0.302 4.383 220 HD12 LEU 32 2HD1 LEU 32 -0.873 0.097 2.703 221 HD13 LEU 32 3HD1 LEU 32 0.762 0.302 3.329 222 HD21 LEU 32 1HD2 LEU 32 -0.827 -3.549 2.518 223 HD22 LEU 32 2HD2 LEU 32 -1.454 -2.131 1.677 224 HD23 LEU 32 3HD2 LEU 32 -1.793 -2.361 3.394 225 H GLN 33 H GLN 33 1.689 -3.659 -0.936 226 HA GLN 33 HA GLN 33 4.475 -2.986 -1.565 227 HB2 GLN 33 1HB GLN 33 3.982 -5.198 -2.243 228 HB3 GLN 33 2HB GLN 33 2.432 -4.727 -2.927 229 HG2 GLN 33 1HG GLN 33 3.779 -3.336 -4.584 230 HG3 GLN 33 2HG GLN 33 5.179 -4.246 -4.021 231 HE21 GLN 33 1HE2 GLN 33 1.927 -4.648 -5.341 232 HE22 GLN 33 2HE2 GLN 33 2.269 -6.097 -6.217 233 H VAL 34 H VAL 34 4.876 -1.104 -2.501 234 HA VAL 34 HA VAL 34 2.783 0.565 -3.507 235 HB VAL 34 HB VAL 34 5.777 0.930 -3.701 236 HG11 VAL 34 1HG1 VAL 34 4.785 3.418 -3.721 237 HG12 VAL 34 2HG1 VAL 34 5.097 2.494 -5.191 238 HG13 VAL 34 3HG1 VAL 34 3.464 2.574 -4.528 239 HG21 VAL 34 1HG2 VAL 34 5.433 2.478 -1.779 240 HG22 VAL 34 2HG2 VAL 34 3.778 1.882 -1.654 241 HG23 VAL 34 3HG2 VAL 34 5.132 0.783 -1.395 242 H LEU 35 H LEU 35 1.915 0.449 -5.460 243 HA LEU 35 HA LEU 35 3.388 -0.880 -7.612 244 HB2 LEU 35 1HB LEU 35 0.521 0.022 -7.672 245 HB3 LEU 35 2HB LEU 35 1.310 -1.162 -8.712 246 HG LEU 35 HG LEU 35 1.135 -1.727 -5.792 247 HD11 LEU 35 1HD1 LEU 35 -1.091 -2.882 -6.391 248 HD12 LEU 35 2HD1 LEU 35 -1.157 -1.722 -7.717 249 HD13 LEU 35 3HD1 LEU 35 -1.098 -1.152 -6.050 250 HD21 LEU 35 1HD2 LEU 35 2.268 -3.418 -6.835 251 HD22 LEU 35 2HD2 LEU 35 1.382 -3.231 -8.349 252 HD23 LEU 35 3HD2 LEU 35 0.617 -4.024 -6.971 253 H ASP 36 H ASP 36 1.349 2.017 -7.190 254 HA ASP 36 HA ASP 36 2.793 3.261 -9.430 255 HB2 ASP 36 1HB ASP 36 0.187 3.000 -9.342 256 HB3 ASP 36 2HB ASP 36 0.273 4.394 -8.269 257 H THR 37 H THR 37 4.040 5.000 -9.107 258 HA THR 37 HA THR 37 3.873 6.371 -6.506 259 HB THR 37 HB THR 37 6.359 6.662 -6.608 260 HG1 THR 37 1HG THR 37 6.054 4.809 -8.748 261 HG21 THR 37 1HG2 THR 37 6.588 4.859 -5.290 262 HG22 THR 37 2HG2 THR 37 6.134 3.748 -6.582 263 HG23 THR 37 3HG2 THR 37 4.886 4.558 -5.636 264 H SER 38 H SER 38 2.753 7.067 -9.129 265 HA SER 38 HA SER 38 4.359 9.176 -10.224 266 HB2 SER 38 1HB SER 38 2.915 8.182 -11.789 267 HB3 SER 38 2HB SER 38 1.542 8.221 -10.683 268 HG SER 38 HG SER 38 1.062 10.100 -11.463 269 H HIS 39 H HIS 39 1.036 9.429 -8.985 270 HA HIS 39 HA HIS 39 1.084 12.137 -8.444 271 HB2 HIS 39 1HB HIS 39 -0.944 10.670 -8.447 272 HB3 HIS 39 2HB HIS 39 -0.459 10.073 -6.862 273 HD1 HIS 39 1HD HIS 39 -2.515 12.574 -8.398 274 HD2 HIS 39 2HD HIS 39 -0.267 12.338 -4.912 275 HE1 HIS 39 1HE HIS 39 -3.399 14.393 -6.904 276 HE2 HIS 39 2HE HIS 39 -1.967 14.285 -4.835 277 H GLU 40 H GLU 40 2.791 12.991 -7.372 278 HA GLU 40 HA GLU 40 4.220 11.909 -5.276 279 HB2 GLU 40 1HB GLU 40 4.727 14.014 -6.612 280 HB3 GLU 40 2HB GLU 40 3.631 14.856 -5.527 281 HG2 GLU 40 1HG GLU 40 5.948 15.141 -4.851 282 HG3 GLU 40 2HG GLU 40 5.024 14.271 -3.628 283 H GLY 41 H GLY 41 3.450 11.148 -3.418 284 HA2 GLY 41 1HA GLY 41 2.721 11.985 -1.182 285 HA3 GLY 41 2HA GLY 41 1.373 12.728 -2.031 286 H TRP 42 H TRP 42 0.032 11.123 -3.351 287 HA TRP 42 HA TRP 42 -0.588 8.878 -1.585 288 HB2 TRP 42 1HB TRP 42 -2.167 10.031 -3.895 289 HB3 TRP 42 2HB TRP 42 -2.723 8.774 -2.793 290 HD1 TRP 42 HD TRP 42 -2.008 12.539 -2.918 291 HE1 TRP 42 1HE TRP 42 -3.192 13.662 -0.927 292 HE3 TRP 42 3HE TRP 42 -3.609 8.352 -0.460 293 HZ2 TRP 42 2HZ TRP 42 -4.615 12.876 1.380 294 HZ3 TRP 42 3HZ TRP 42 -4.875 8.625 1.633 295 HH2 TRP 42 HH TRP 42 -5.366 10.841 2.532 296 H TRP 43 H TRP 43 0.322 6.992 -2.048 297 HA TRP 43 HA TRP 43 0.914 6.344 -4.850 298 HB2 TRP 43 1HB TRP 43 1.962 5.126 -2.286 299 HB3 TRP 43 2HB TRP 43 2.402 4.591 -3.905 300 HD1 TRP 43 HD TRP 43 2.463 7.894 -4.789 301 HE1 TRP 43 1HE TRP 43 4.675 9.112 -4.290 302 HE3 TRP 43 3HE TRP 43 4.418 4.652 -1.353 303 HZ2 TRP 43 2HZ TRP 43 6.948 8.747 -2.657 304 HZ3 TRP 43 3HZ TRP 43 6.616 5.159 -0.371 305 HH2 TRP 43 HH TRP 43 7.854 7.164 -1.011 306 H LEU 44 H LEU 44 0.352 4.311 -5.720 307 HA LEU 44 HA LEU 44 -2.062 3.181 -4.523 308 HB2 LEU 44 1HB LEU 44 -2.228 3.846 -6.834 309 HB3 LEU 44 2HB LEU 44 -0.826 2.863 -7.253 310 HG LEU 44 HG LEU 44 -2.184 0.844 -6.594 311 HD11 LEU 44 1HD1 LEU 44 -4.582 2.614 -6.874 312 HD12 LEU 44 2HD1 LEU 44 -3.837 2.340 -5.299 313 HD13 LEU 44 3HD1 LEU 44 -4.470 0.978 -6.223 314 HD21 LEU 44 1HD2 LEU 44 -3.419 0.793 -8.694 315 HD22 LEU 44 2HD2 LEU 44 -1.816 1.489 -8.925 316 HD23 LEU 44 3HD2 LEU 44 -3.232 2.538 -8.860 317 H ALA 45 H ALA 45 -1.454 1.747 -2.980 318 HA ALA 45 HA ALA 45 0.377 -0.413 -3.799 319 HB1 ALA 45 1HB ALA 45 1.190 1.001 -1.930 320 HB2 ALA 45 2HB ALA 45 -0.209 0.490 -0.984 321 HB3 ALA 45 3HB ALA 45 0.992 -0.696 -1.494 322 H ARG 46 H ARG 46 -0.076 -2.546 -2.874 323 HA ARG 46 HA ARG 46 -2.956 -2.964 -2.407 324 HB2 ARG 46 1HB ARG 46 -2.959 -4.880 -3.757 325 HB3 ARG 46 2HB ARG 46 -2.000 -3.719 -4.667 326 HG2 ARG 46 1HG ARG 46 0.050 -4.784 -3.786 327 HG3 ARG 46 2HG ARG 46 -0.960 -5.994 -2.993 328 HD2 ARG 46 1HD ARG 46 -1.948 -6.283 -5.409 329 HD3 ARG 46 2HD ARG 46 -0.405 -5.580 -5.892 330 HE ARG 46 HE ARG 46 0.621 -7.547 -5.339 331 HH11 ARG 46 2HH1 ARG 46 -2.546 -7.474 -3.897 332 HH12 ARG 46 1HH1 ARG 46 -2.479 -9.118 -3.354 333 HH21 ARG 46 2HH2 ARG 46 0.722 -9.712 -4.629 334 HH22 ARG 46 1HH2 ARG 46 -0.620 -10.390 -3.770 335 H HIS 47 H HIS 47 -3.528 -4.764 -1.072 336 HA HIS 47 HA HIS 47 -1.781 -5.086 1.164 337 HB2 HIS 47 1HB HIS 47 -4.526 -5.972 0.440 338 HB3 HIS 47 2HB HIS 47 -3.684 -6.894 1.682 339 HD1 HIS 47 1HD HIS 47 -2.885 -5.466 3.814 340 HD2 HIS 47 2HD HIS 47 -5.632 -3.627 1.297 341 HE1 HIS 47 1HE HIS 47 -3.850 -3.565 5.147 342 HE2 HIS 47 2HE HIS 47 -5.571 -2.519 3.634 343 H LEU 48 H LEU 48 -0.325 -6.626 1.550 344 HA LEU 48 HA LEU 48 0.040 -8.731 -0.420 345 HB2 LEU 48 1HB LEU 48 1.686 -7.897 1.963 346 HB3 LEU 48 2HB LEU 48 2.126 -9.192 0.851 347 HG LEU 48 HG LEU 48 1.829 -6.284 0.101 348 HD11 LEU 48 1HD1 LEU 48 4.433 -6.916 -0.292 349 HD12 LEU 48 2HD1 LEU 48 4.072 -7.858 1.154 350 HD13 LEU 48 3HD1 LEU 48 3.807 -6.114 1.149 351 HD21 LEU 48 1HD2 LEU 48 3.100 -7.150 -1.944 352 HD22 LEU 48 2HD2 LEU 48 1.379 -7.522 -1.830 353 HD23 LEU 48 3HD2 LEU 48 2.577 -8.754 -1.430 354 H GLU 49 H GLU 49 -0.702 -8.383 3.012 355 HA GLU 49 HA GLU 49 -0.597 -11.113 3.690 356 HB2 GLU 49 1HB GLU 49 -1.999 -8.738 4.887 357 HB3 GLU 49 2HB GLU 49 -2.226 -10.351 5.550 358 HG2 GLU 49 1HG GLU 49 -0.087 -10.481 6.344 359 HG3 GLU 49 2HG GLU 49 0.546 -9.361 5.138 360 H LYS 50 H LYS 50 -1.623 -12.193 1.941 361 HA LYS 50 HA LYS 50 -4.564 -12.122 2.099 362 HB2 LYS 50 1HB LYS 50 -3.522 -11.165 -0.037 363 HB3 LYS 50 2HB LYS 50 -3.045 -12.816 -0.409 364 HG2 LYS 50 1HG LYS 50 -5.893 -12.255 0.250 365 HG3 LYS 50 2HG LYS 50 -5.273 -11.815 -1.343 366 HD2 LYS 50 1HD LYS 50 -4.691 -14.057 -1.837 367 HD3 LYS 50 2HD LYS 50 -4.921 -14.561 -0.161 368 HE2 LYS 50 1HE LYS 50 -7.246 -14.440 -0.321 369 HE3 LYS 50 2HE LYS 50 -7.188 -13.416 -1.754 370 HZ1 LYS 50 1HZ LYS 50 -7.171 -16.273 -1.556 371 HZ2 LYS 50 2HZ LYS 50 -5.915 -15.692 -2.528 372 HZ3 LYS 50 3HZ LYS 50 -7.518 -15.287 -2.886 373 H LYS 51 H LYS 51 -5.435 -13.980 2.718 374 HA LYS 51 HA LYS 51 -3.908 -16.464 2.280 375 HB2 LYS 51 1HB LYS 51 -4.221 -15.520 4.701 376 HB3 LYS 51 2HB LYS 51 -5.850 -16.164 4.544 377 HG2 LYS 51 1HG LYS 51 -5.144 -18.336 4.559 378 HG3 LYS 51 2HG LYS 51 -3.559 -17.942 3.891 379 HD2 LYS 51 1HD LYS 51 -3.301 -16.669 6.194 380 HD3 LYS 51 2HD LYS 51 -4.523 -17.836 6.705 381 HE2 LYS 51 1HE LYS 51 -3.118 -19.672 6.121 382 HE3 LYS 51 2HE LYS 51 -1.963 -18.609 5.318 383 HZ1 LYS 51 1HZ LYS 51 -1.734 -19.482 7.848 384 HZ2 LYS 51 2HZ LYS 51 -2.449 -17.968 8.090 385 HZ3 LYS 51 3HZ LYS 51 -0.987 -18.088 7.246 386 H GLY 52 H GLY 52 -5.465 -18.439 2.575 387 HA2 GLY 52 1HA GLY 52 -7.187 -18.559 0.435 388 HA3 GLY 52 2HA GLY 52 -7.293 -19.620 1.832 389 H THR 53 H THR 53 -8.845 -17.237 0.044 390 HA THR 53 HA THR 53 -11.091 -17.243 1.860 391 HB THR 53 HB THR 53 -9.515 -14.734 1.333 392 HG1 THR 53 1HG THR 53 -10.494 -16.120 3.600 393 HG21 THR 53 1HG2 THR 53 -12.402 -14.912 2.206 394 HG22 THR 53 2HG2 THR 53 -11.816 -14.249 0.680 395 HG23 THR 53 3HG2 THR 53 -11.421 -13.447 2.200 396 H GLY 54 H GLY 54 -13.032 -16.411 0.905 397 HA2 GLY 54 1HA GLY 54 -13.121 -16.846 -1.938 398 HA3 GLY 54 2HA GLY 54 -14.484 -16.467 -0.896 399 H LEU 55 H LEU 55 -14.878 -14.248 -0.347 400 HA LEU 55 HA LEU 55 -13.604 -12.328 -2.179 401 HB2 LEU 55 1HB LEU 55 -16.477 -12.920 -1.728 402 HB3 LEU 55 2HB LEU 55 -16.019 -11.236 -1.976 403 HG LEU 55 HG LEU 55 -15.096 -13.282 -3.939 404 HD11 LEU 55 1HD1 LEU 55 -17.178 -12.991 -5.212 405 HD12 LEU 55 2HD1 LEU 55 -17.873 -12.113 -3.851 406 HD13 LEU 55 3HD1 LEU 55 -17.444 -13.814 -3.675 407 HD21 LEU 55 1HD2 LEU 55 -14.891 -11.497 -5.367 408 HD22 LEU 55 2HD2 LEU 55 -14.562 -10.720 -3.818 409 HD23 LEU 55 3HD2 LEU 55 -16.154 -10.565 -4.562 410 H GLY 56 H GLY 56 -13.920 -10.035 -1.486 411 HA2 GLY 56 1HA GLY 56 -14.549 -9.565 1.294 412 HA3 GLY 56 2HA GLY 56 -12.834 -9.451 0.925 413 H GLN 57 H GLN 57 -12.456 -7.315 1.118 414 HA GLN 57 HA GLN 57 -14.076 -5.514 -0.561 415 HB2 GLN 57 1HB GLN 57 -12.809 -5.030 2.132 416 HB3 GLN 57 2HB GLN 57 -13.350 -3.718 1.092 417 HG2 GLN 57 1HG GLN 57 -15.156 -4.001 2.477 418 HG3 GLN 57 2HG GLN 57 -15.607 -4.990 1.089 419 HE21 GLN 57 1HE2 GLN 57 -13.944 -5.221 4.209 420 HE22 GLN 57 2HE2 GLN 57 -14.537 -6.795 4.605 421 H GLN 58 H GLN 58 -12.774 -3.377 -0.948 422 HA GLN 58 HA GLN 58 -10.847 -3.713 -2.771 423 HB2 GLN 58 1HB GLN 58 -11.813 -1.523 -2.106 424 HB3 GLN 58 2HB GLN 58 -10.761 -1.516 -0.697 425 HG2 GLN 58 1HG GLN 58 -8.804 -1.543 -2.183 426 HG3 GLN 58 2HG GLN 58 -9.884 -1.481 -3.575 427 HE21 GLN 58 1HE2 GLN 58 -8.713 0.463 -4.116 428 HE22 GLN 58 2HE2 GLN 58 -9.158 1.960 -3.378 429 H LEU 59 H LEU 59 -8.705 -4.153 -2.915 430 HA LEU 59 HA LEU 59 -7.315 -4.788 -0.395 431 HB2 LEU 59 1HB LEU 59 -5.947 -6.344 -1.816 432 HB3 LEU 59 2HB LEU 59 -7.632 -6.801 -1.577 433 HG LEU 59 HG LEU 59 -6.836 -5.316 -4.046 434 HD11 LEU 59 1HD1 LEU 59 -5.884 -7.082 -5.073 435 HD12 LEU 59 2HD1 LEU 59 -6.858 -8.260 -4.194 436 HD13 LEU 59 3HD1 LEU 59 -5.449 -7.531 -3.424 437 HD21 LEU 59 1HD2 LEU 59 -9.200 -6.446 -3.013 438 HD22 LEU 59 2HD2 LEU 59 -8.707 -7.454 -4.374 439 HD23 LEU 59 3HD2 LEU 59 -8.946 -5.721 -4.600 440 H GLN 60 H GLN 60 -7.211 -3.043 -3.377 441 HA GLN 60 HA GLN 60 -4.634 -1.886 -2.568 442 HB2 GLN 60 1HB GLN 60 -3.774 -1.933 -4.767 443 HB3 GLN 60 2HB GLN 60 -4.429 -3.541 -4.487 444 HG2 GLN 60 1HG GLN 60 -6.490 -2.842 -5.686 445 HG3 GLN 60 2HG GLN 60 -5.690 -1.320 -6.075 446 HE21 GLN 60 1HE2 GLN 60 -4.353 -1.234 -7.774 447 HE22 GLN 60 2HE2 GLN 60 -3.910 -2.589 -8.751 448 H GLY 61 H GLY 61 -4.489 0.297 -2.716 449 HA2 GLY 61 1HA GLY 61 -6.222 1.855 -4.386 450 HA3 GLY 61 2HA GLY 61 -6.701 1.914 -2.696 451 H TYR 62 H TYR 62 -6.240 4.252 -3.108 452 HA TYR 62 HA TYR 62 -3.462 5.013 -3.308 453 HB2 TYR 62 1HB TYR 62 -6.001 6.595 -2.898 454 HB3 TYR 62 2HB TYR 62 -4.406 7.336 -2.943 455 HD1 TYR 62 2HD TYR 62 -2.978 6.331 -5.091 456 HD2 TYR 62 1HD TYR 62 -7.195 6.840 -4.845 457 HE1 TYR 62 2HE TYR 62 -3.100 6.455 -7.544 458 HE2 TYR 62 1HE TYR 62 -7.329 6.964 -7.298 459 HH TYR 62 HH TYR 62 -6.018 6.236 -9.252 460 H ILE 63 H ILE 63 -2.106 5.450 -1.685 461 HA ILE 63 HA ILE 63 -3.182 5.919 1.000 462 HB ILE 63 HB ILE 63 -1.607 4.382 2.025 463 HG12 ILE 63 1HG1 ILE 63 -0.894 3.392 -0.733 464 HG13 ILE 63 2HG1 ILE 63 0.070 4.598 0.111 465 HG21 ILE 63 1HG2 ILE 63 -3.503 3.172 1.829 466 HG22 ILE 63 2HG2 ILE 63 -3.633 3.456 0.094 467 HG23 ILE 63 3HG2 ILE 63 -2.525 2.228 0.706 468 HD11 ILE 63 1HD1 ILE 63 1.048 2.429 0.408 469 HD12 ILE 63 2HD1 ILE 63 0.397 2.987 1.950 470 HD13 ILE 63 3HD1 ILE 63 -0.478 1.781 1.008 471 HA PRO 64 HA PRO 64 -0.126 9.086 1.102 472 HB2 PRO 64 1HB PRO 64 0.076 9.407 3.790 473 HB3 PRO 64 2HB PRO 64 -1.316 9.969 2.857 474 HG2 PRO 64 1HG PRO 64 -1.011 7.478 4.489 475 HG3 PRO 64 2HG PRO 64 -2.388 8.592 4.394 476 HD2 PRO 64 1HD PRO 64 -2.325 6.236 3.061 477 HD3 PRO 64 2HD PRO 64 -3.160 7.669 2.428 478 H SER 65 H SER 65 2.032 9.092 0.968 479 HA SER 65 HA SER 65 3.543 6.782 1.673 480 HB2 SER 65 1HB SER 65 4.240 7.985 -0.266 481 HB3 SER 65 2HB SER 65 4.331 9.504 0.626 482 HG SER 65 HG SER 65 6.108 8.713 1.736 483 H ASN 66 H ASN 66 3.384 10.092 2.942 484 HA ASN 66 HA ASN 66 5.388 10.001 4.826 485 HB2 ASN 66 1HB ASN 66 2.689 11.357 4.984 486 HB3 ASN 66 2HB ASN 66 4.006 11.658 6.115 487 HD21 ASN 66 1HD2 ASN 66 2.562 13.270 3.981 488 HD22 ASN 66 2HD2 ASN 66 3.844 13.990 3.073 489 H TYR 67 H TYR 67 2.502 8.189 4.751 490 HA TYR 67 HA TYR 67 2.448 7.669 7.604 491 HB2 TYR 67 1HB TYR 67 0.744 6.919 5.269 492 HB3 TYR 67 2HB TYR 67 0.673 5.917 6.714 493 HD1 TYR 67 1HD TYR 67 0.605 9.548 5.812 494 HD2 TYR 67 2HD TYR 67 -0.946 6.438 8.266 495 HE1 TYR 67 1HE TYR 67 -0.963 11.145 6.834 496 HE2 TYR 67 2HE TYR 67 -2.518 8.025 9.294 497 HH TYR 67 HH TYR 67 -3.399 10.798 8.067 498 H VAL 68 H VAL 68 3.545 6.139 4.657 499 HA VAL 68 HA VAL 68 4.447 3.808 6.216 500 HB VAL 68 HB VAL 68 4.549 2.556 4.153 501 HG11 VAL 68 1HG1 VAL 68 2.017 3.107 3.410 502 HG12 VAL 68 2HG1 VAL 68 2.437 2.186 4.856 503 HG13 VAL 68 3HG1 VAL 68 2.064 3.906 4.982 504 HG21 VAL 68 1HG2 VAL 68 3.831 3.523 2.019 505 HG22 VAL 68 2HG2 VAL 68 3.659 5.099 2.792 506 HG23 VAL 68 3HG2 VAL 68 5.250 4.351 2.659 507 H ALA 69 H ALA 69 6.431 2.771 4.867 508 HA ALA 69 HA ALA 69 8.311 4.680 3.852 509 HB1 ALA 69 1HB ALA 69 8.521 5.199 6.214 510 HB2 ALA 69 2HB ALA 69 8.822 3.500 6.580 511 HB3 ALA 69 3HB ALA 69 9.988 4.416 5.625 512 H GLU 70 H GLU 70 10.573 3.562 3.701 513 HA GLU 70 HA GLU 70 10.129 1.056 2.356 514 HB2 GLU 70 1HB GLU 70 11.770 3.025 1.760 515 HB3 GLU 70 2HB GLU 70 12.860 2.172 2.843 516 HG2 GLU 70 1HG GLU 70 12.327 0.105 1.415 517 HG3 GLU 70 2HG GLU 70 11.706 1.261 0.238 518 H ASP 71 H ASP 71 9.961 -0.757 3.494 519 HA ASP 71 HA ASP 71 11.450 -1.065 5.985 520 HB2 ASP 71 1HB ASP 71 8.923 -1.695 5.507 521 HB3 ASP 71 2HB ASP 71 9.643 -3.193 4.926 522 H SER 72 H SER 72 12.384 -3.300 6.393 523 HA SER 72 HA SER 72 14.444 -3.783 4.536 524 HB2 SER 72 1HB SER 72 15.009 -5.714 5.955 525 HB3 SER 72 2HB SER 72 14.675 -4.284 6.931 526 HG SER 72 HG SER 72 12.566 -6.029 6.362 527 H GLY 73 H GLY 73 14.900 -6.045 3.660 528 HA2 GLY 73 1HA GLY 73 13.163 -8.030 3.103 529 HA3 GLY 73 2HA GLY 73 12.660 -6.777 1.978 530 HA PRO 74 HA PRO 74 17.174 -8.147 0.805 531 HB2 PRO 74 1HB PRO 74 17.925 -10.565 1.785 532 HB3 PRO 74 2HB PRO 74 18.251 -9.045 2.625 533 HG2 PRO 74 1HG PRO 74 16.070 -11.039 3.098 534 HG3 PRO 74 2HG PRO 74 17.072 -10.177 4.279 535 HD2 PRO 74 1HD PRO 74 14.544 -9.414 3.681 536 HD3 PRO 74 2HD PRO 74 15.808 -8.254 4.136 537 H SER 75 H SER 75 15.893 -8.368 -1.115 538 HA SER 75 HA SER 75 14.474 -10.673 -1.838 539 HB2 SER 75 1HB SER 75 15.787 -8.508 -3.479 540 HB3 SER 75 2HB SER 75 14.875 -9.824 -4.217 541 HG SER 75 HG SER 75 13.348 -8.342 -3.911 542 H SER 76 H SER 76 15.006 -12.423 -3.176 543 HA SER 76 HA SER 76 17.885 -12.921 -3.535 544 HB2 SER 76 1HB SER 76 17.610 -15.223 -2.843 545 HB3 SER 76 2HB SER 76 16.972 -14.178 -1.573 546 HG SER 76 HG SER 76 15.030 -14.930 -1.925 547 H GLY 77 H GLY 77 18.474 -13.684 -5.484 548 HA2 GLY 77 1HA GLY 77 16.791 -13.550 -7.687 549 HA3 GLY 77 2HA GLY 77 18.320 -14.416 -7.654 Start of MODEL 16 1 H1 GLY 1 H GLY 1 9.140 -11.073 -14.868 2 HA2 GLY 1 1HA GLY 1 6.566 -12.339 -15.179 3 HA3 GLY 1 2HA GLY 1 6.941 -10.970 -14.142 4 H SER 2 H SER 2 7.650 -8.965 -15.605 5 HA SER 2 HA SER 2 6.184 -8.699 -18.057 6 HB2 SER 2 1HB SER 2 4.386 -8.489 -16.321 7 HB3 SER 2 2HB SER 2 5.227 -7.074 -15.690 8 HG SER 2 HG SER 2 4.420 -7.290 -18.394 9 H SER 3 H SER 3 6.268 -6.377 -18.848 10 HA SER 3 HA SER 3 8.907 -5.489 -18.899 11 HB2 SER 3 1HB SER 3 6.310 -4.140 -19.626 12 HB3 SER 3 2HB SER 3 7.865 -3.335 -19.833 13 HG SER 3 HG SER 3 6.699 -5.165 -21.404 14 H GLY 4 H GLY 4 10.008 -4.802 -17.178 15 HA2 GLY 4 1HA GLY 4 10.594 -3.045 -15.700 16 HA3 GLY 4 2HA GLY 4 8.905 -2.562 -15.645 17 H SER 5 H SER 5 11.305 -4.779 -14.403 18 HA SER 5 HA SER 5 9.542 -6.219 -12.692 19 HB2 SER 5 1HB SER 5 12.541 -5.918 -12.796 20 HB3 SER 5 2HB SER 5 11.743 -6.867 -11.542 21 HG SER 5 HG SER 5 11.056 -7.344 -14.210 22 H SER 6 H SER 6 8.356 -4.929 -11.364 23 HA SER 6 HA SER 6 9.787 -3.028 -9.643 24 HB2 SER 6 1HB SER 6 7.564 -2.073 -9.164 25 HB3 SER 6 2HB SER 6 7.895 -2.097 -10.896 26 HG SER 6 HG SER 6 6.572 -4.283 -9.757 27 H GLY 7 H GLY 7 9.716 -3.158 -7.429 28 HA2 GLY 7 1HA GLY 7 8.046 -5.106 -6.100 29 HA3 GLY 7 2HA GLY 7 9.751 -5.530 -6.127 30 H GLN 8 H GLN 8 8.359 -2.295 -5.837 31 HA GLN 8 HA GLN 8 10.022 -1.686 -3.601 32 HB2 GLN 8 1HB GLN 8 7.797 -0.218 -4.997 33 HB3 GLN 8 2HB GLN 8 8.561 0.427 -3.551 34 HG2 GLN 8 1HG GLN 8 10.660 0.605 -4.629 35 HG3 GLN 8 2HG GLN 8 10.106 -0.340 -6.009 36 HE21 GLN 8 1HE2 GLN 8 11.234 1.910 -6.672 37 HE22 GLN 8 2HE2 GLN 8 10.088 3.122 -7.120 38 H TYR 9 H TYR 9 9.636 -2.708 -1.730 39 HA TYR 9 HA TYR 9 6.872 -3.018 -0.812 40 HB2 TYR 9 1HB TYR 9 9.329 -4.145 0.520 41 HB3 TYR 9 2HB TYR 9 7.660 -4.679 0.686 42 HD1 TYR 9 2HD TYR 9 6.566 -5.385 -1.677 43 HD2 TYR 9 1HD TYR 9 10.718 -5.471 -0.749 44 HE1 TYR 9 2HE TYR 9 6.921 -7.057 -3.446 45 HE2 TYR 9 1HE TYR 9 11.084 -7.142 -2.516 46 HH TYR 9 HH TYR 9 8.479 -8.737 -4.105 47 H PHE 10 H PHE 10 6.051 -1.883 0.836 48 HA PHE 10 HA PHE 10 7.894 -0.221 2.423 49 HB2 PHE 10 1HB PHE 10 5.300 0.474 1.100 50 HB3 PHE 10 2HB PHE 10 5.758 1.304 2.584 51 HD1 PHE 10 1HD PHE 10 7.490 0.266 -0.560 52 HD2 PHE 10 2HD PHE 10 6.680 3.366 2.242 53 HE1 PHE 10 1HE PHE 10 8.897 1.806 -1.863 54 HE2 PHE 10 2HE PHE 10 8.085 4.912 0.942 55 HZ PHE 10 HZ PHE 10 9.196 4.133 -1.113 56 H VAL 11 H VAL 11 7.106 0.363 4.570 57 HA VAL 11 HA VAL 11 5.280 -1.673 5.674 58 HB VAL 11 HB VAL 11 7.842 -0.575 6.801 59 HG11 VAL 11 1HG1 VAL 11 6.445 -0.318 8.654 60 HG12 VAL 11 2HG1 VAL 11 5.516 -1.769 8.271 61 HG13 VAL 11 3HG1 VAL 11 7.164 -1.912 8.883 62 HG21 VAL 11 1HG2 VAL 11 8.018 -2.581 5.450 63 HG22 VAL 11 2HG2 VAL 11 8.330 -2.965 7.143 64 HG23 VAL 11 3HG2 VAL 11 6.774 -3.371 6.419 65 H ALA 12 H ALA 12 3.592 -0.958 6.818 66 HA ALA 12 HA ALA 12 3.111 1.864 7.018 67 HB1 ALA 12 1HB ALA 12 1.282 0.373 6.491 68 HB2 ALA 12 2HB ALA 12 1.506 -0.485 8.016 69 HB3 ALA 12 3HB ALA 12 0.961 1.192 8.019 70 H LEU 13 H LEU 13 3.990 3.069 8.561 71 HA LEU 13 HA LEU 13 4.963 1.964 11.016 72 HB2 LEU 13 1HB LEU 13 4.636 4.842 10.182 73 HB3 LEU 13 2HB LEU 13 5.555 4.271 11.573 74 HG LEU 13 HG LEU 13 6.307 3.282 8.864 75 HD11 LEU 13 1HD1 LEU 13 7.905 5.509 9.302 76 HD12 LEU 13 2HD1 LEU 13 6.264 6.071 9.619 77 HD13 LEU 13 3HD1 LEU 13 6.656 5.327 8.069 78 HD21 LEU 13 1HD2 LEU 13 7.981 4.101 11.231 79 HD22 LEU 13 2HD2 LEU 13 8.483 3.155 9.829 80 HD23 LEU 13 3HD2 LEU 13 7.347 2.472 10.993 81 H PHE 14 H PHE 14 2.112 3.742 10.017 82 HA PHE 14 HA PHE 14 0.971 3.286 12.685 83 HB2 PHE 14 1HB PHE 14 0.335 5.788 11.146 84 HB3 PHE 14 2HB PHE 14 0.103 5.458 12.860 85 HD1 PHE 14 2HD PHE 14 2.623 6.197 10.270 86 HD2 PHE 14 1HD PHE 14 1.802 5.907 14.436 87 HE1 PHE 14 2HE PHE 14 4.768 7.295 10.766 88 HE2 PHE 14 1HE PHE 14 3.945 7.005 14.939 89 HZ PHE 14 HZ PHE 14 5.432 7.700 13.103 90 H ASP 15 H ASP 15 -1.404 3.330 12.705 91 HA ASP 15 HA ASP 15 -2.451 1.862 10.471 92 HB2 ASP 15 1HB ASP 15 -4.610 2.022 11.870 93 HB3 ASP 15 2HB ASP 15 -3.258 1.115 12.543 94 H TYR 16 H TYR 16 -4.392 2.436 9.303 95 HA TYR 16 HA TYR 16 -5.321 5.154 9.330 96 HB2 TYR 16 1HB TYR 16 -3.406 5.654 8.045 97 HB3 TYR 16 2HB TYR 16 -3.535 4.164 7.117 98 HD1 TYR 16 2HD TYR 16 -4.964 7.530 7.599 99 HD2 TYR 16 1HD TYR 16 -4.913 4.037 5.170 100 HE1 TYR 16 2HE TYR 16 -6.197 8.738 5.846 101 HE2 TYR 16 1HE TYR 16 -6.145 5.235 3.411 102 HH TYR 16 HH TYR 16 -7.113 7.136 2.808 103 H GLN 17 H GLN 17 -7.310 5.354 8.407 104 HA GLN 17 HA GLN 17 -8.399 2.943 7.109 105 HB2 GLN 17 1HB GLN 17 -9.253 3.808 9.453 106 HB3 GLN 17 2HB GLN 17 -10.173 4.930 8.461 107 HG2 GLN 17 1HG GLN 17 -11.167 3.035 7.263 108 HG3 GLN 17 2HG GLN 17 -10.271 1.927 8.301 109 HE21 GLN 17 1HE2 GLN 17 -12.853 1.530 8.293 110 HE22 GLN 17 2HE2 GLN 17 -13.618 2.136 9.719 111 H ALA 18 H ALA 18 -8.798 3.210 5.024 112 HA ALA 18 HA ALA 18 -8.599 5.523 3.564 113 HB1 ALA 18 1HB ALA 18 -10.609 3.535 2.655 114 HB2 ALA 18 2HB ALA 18 -9.301 4.313 1.764 115 HB3 ALA 18 3HB ALA 18 -8.946 2.992 2.877 116 H ARG 19 H ARG 19 -9.947 7.144 2.903 117 HA ARG 19 HA ARG 19 -12.408 7.458 4.445 118 HB2 ARG 19 1HB ARG 19 -10.977 9.461 2.691 119 HB3 ARG 19 2HB ARG 19 -12.315 9.799 3.780 120 HG2 ARG 19 1HG ARG 19 -9.753 8.642 4.806 121 HG3 ARG 19 2HG ARG 19 -9.931 10.377 4.535 122 HD2 ARG 19 1HD ARG 19 -11.889 10.390 6.020 123 HD3 ARG 19 2HD ARG 19 -11.672 8.664 6.307 124 HE ARG 19 HE ARG 19 -9.911 9.140 7.714 125 HH11 ARG 19 2HH1 ARG 19 -10.858 12.009 5.983 126 HH12 ARG 19 1HH1 ARG 19 -9.893 13.071 6.954 127 HH21 ARG 19 2HH2 ARG 19 -8.637 10.528 8.999 128 HH22 ARG 19 1HH2 ARG 19 -8.629 12.227 8.669 129 H THR 20 H THR 20 -11.315 6.825 1.239 130 HA THR 20 HA THR 20 -14.098 6.742 0.327 131 HB THR 20 HB THR 20 -13.493 7.745 -1.841 132 HG1 THR 20 1HG THR 20 -11.038 8.507 -0.625 133 HG21 THR 20 1HG2 THR 20 -13.832 9.886 -1.137 134 HG22 THR 20 2HG2 THR 20 -12.575 9.795 0.097 135 HG23 THR 20 3HG2 THR 20 -14.151 9.059 0.388 136 H ALA 21 H ALA 21 -14.376 5.462 -1.655 137 HA ALA 21 HA ALA 21 -13.293 2.942 -1.508 138 HB1 ALA 21 1HB ALA 21 -14.979 4.374 -3.332 139 HB2 ALA 21 2HB ALA 21 -13.871 3.332 -4.226 140 HB3 ALA 21 3HB ALA 21 -14.921 2.645 -2.986 141 H GLU 22 H GLU 22 -12.073 5.739 -3.254 142 HA GLU 22 HA GLU 22 -10.128 4.413 -4.800 143 HB2 GLU 22 1HB GLU 22 -10.219 7.251 -3.766 144 HB3 GLU 22 2HB GLU 22 -9.042 6.666 -4.933 145 HG2 GLU 22 1HG GLU 22 -10.712 6.285 -6.565 146 HG3 GLU 22 2HG GLU 22 -12.006 6.518 -5.391 147 H ASP 23 H ASP 23 -9.917 6.007 -1.632 148 HA ASP 23 HA ASP 23 -7.163 5.457 -1.240 149 HB2 ASP 23 1HB ASP 23 -9.402 6.216 0.629 150 HB3 ASP 23 2HB ASP 23 -7.769 5.909 1.212 151 H LEU 24 H LEU 24 -6.258 4.022 0.397 152 HA LEU 24 HA LEU 24 -7.818 1.536 0.672 153 HB2 LEU 24 1HB LEU 24 -5.860 1.469 -0.909 154 HB3 LEU 24 2HB LEU 24 -4.819 1.736 0.488 155 HG LEU 24 HG LEU 24 -6.055 -0.415 1.389 156 HD11 LEU 24 1HD1 LEU 24 -6.187 -1.926 -0.770 157 HD12 LEU 24 2HD1 LEU 24 -6.607 -0.392 -1.531 158 HD13 LEU 24 3HD1 LEU 24 -7.582 -1.011 -0.198 159 HD21 LEU 24 1HD2 LEU 24 -3.781 -0.257 -0.567 160 HD22 LEU 24 2HD2 LEU 24 -4.255 -1.775 0.197 161 HD23 LEU 24 3HD2 LEU 24 -3.718 -0.418 1.189 162 H SER 25 H SER 25 -7.740 0.443 2.614 163 HA SER 25 HA SER 25 -6.713 2.009 4.870 164 HB2 SER 25 1HB SER 25 -8.575 -0.363 5.026 165 HB3 SER 25 2HB SER 25 -8.296 0.880 6.246 166 HG SER 25 HG SER 25 -9.961 0.898 4.071 167 H PHE 26 H PHE 26 -5.422 1.098 6.471 168 HA PHE 26 HA PHE 26 -4.557 -1.643 6.297 169 HB2 PHE 26 1HB PHE 26 -2.141 -1.044 6.027 170 HB3 PHE 26 2HB PHE 26 -3.116 -0.744 4.591 171 HD1 PHE 26 2HD PHE 26 -1.413 0.848 7.443 172 HD2 PHE 26 1HD PHE 26 -3.375 1.439 3.712 173 HE1 PHE 26 2HE PHE 26 -0.623 3.178 7.400 174 HE2 PHE 26 1HE PHE 26 -2.588 3.770 3.663 175 HZ PHE 26 HZ PHE 26 -1.210 4.642 5.509 176 H ARG 27 H ARG 27 -2.748 -2.040 7.954 177 HA ARG 27 HA ARG 27 -3.179 -0.296 10.291 178 HB2 ARG 27 1HB ARG 27 -3.055 -3.304 10.137 179 HB3 ARG 27 2HB ARG 27 -2.833 -2.429 11.646 180 HG2 ARG 27 1HG ARG 27 -5.117 -1.320 10.945 181 HG3 ARG 27 2HG ARG 27 -5.283 -2.811 10.014 182 HD2 ARG 27 1HD ARG 27 -4.433 -3.015 12.855 183 HD3 ARG 27 2HD ARG 27 -6.119 -2.622 12.520 184 HE ARG 27 HE ARG 27 -5.206 -4.872 11.015 185 HH11 ARG 27 2HH1 ARG 27 -6.395 -3.857 14.126 186 HH12 ARG 27 1HH1 ARG 27 -7.032 -5.415 14.536 187 HH21 ARG 27 2HH2 ARG 27 -6.040 -6.928 11.544 188 HH22 ARG 27 1HH2 ARG 27 -6.828 -7.162 13.067 189 H ALA 28 H ALA 28 -1.435 -0.620 11.988 190 HA ALA 28 HA ALA 28 1.069 0.016 10.885 191 HB1 ALA 28 1HB ALA 28 1.721 -0.666 13.412 192 HB2 ALA 28 2HB ALA 28 0.998 0.880 12.964 193 HB3 ALA 28 3HB ALA 28 -0.017 -0.422 13.586 194 H GLY 29 H GLY 29 2.404 -1.314 9.854 195 HA2 GLY 29 1HA GLY 29 3.964 -3.100 9.858 196 HA3 GLY 29 2HA GLY 29 2.961 -3.940 11.032 197 H ASP 30 H ASP 30 1.528 -2.497 8.217 198 HA ASP 30 HA ASP 30 0.848 -5.178 7.250 199 HB2 ASP 30 1HB ASP 30 -0.416 -2.486 7.030 200 HB3 ASP 30 2HB ASP 30 -0.694 -3.636 5.725 201 H LYS 31 H LYS 31 2.127 -5.983 5.732 202 HA LYS 31 HA LYS 31 3.959 -4.499 4.206 203 HB2 LYS 31 1HB LYS 31 2.877 -7.290 4.034 204 HB3 LYS 31 2HB LYS 31 3.911 -6.672 2.753 205 HG2 LYS 31 1HG LYS 31 4.810 -6.436 5.584 206 HG3 LYS 31 2HG LYS 31 4.922 -7.995 4.764 207 HD2 LYS 31 1HD LYS 31 6.048 -6.587 2.870 208 HD3 LYS 31 2HD LYS 31 6.333 -5.428 4.171 209 HE2 LYS 31 1HE LYS 31 7.631 -6.971 5.394 210 HE3 LYS 31 2HE LYS 31 7.085 -8.329 4.411 211 HZ1 LYS 31 1HZ LYS 31 8.436 -7.712 2.659 212 HZ2 LYS 31 2HZ LYS 31 9.409 -7.355 3.996 213 HZ3 LYS 31 3HZ LYS 31 8.595 -6.112 3.187 214 H LEU 32 H LEU 32 3.673 -3.253 2.485 215 HA LEU 32 HA LEU 32 1.465 -3.836 0.644 216 HB2 LEU 32 1HB LEU 32 2.123 -1.117 1.766 217 HB3 LEU 32 2HB LEU 32 0.968 -1.429 0.473 218 HG LEU 32 HG LEU 32 0.601 -2.716 3.149 219 HD11 LEU 32 1HD1 LEU 32 0.343 -0.761 4.164 220 HD12 LEU 32 2HD1 LEU 32 -1.010 -0.431 3.083 221 HD13 LEU 32 3HD1 LEU 32 0.612 0.115 2.656 222 HD21 LEU 32 1HD2 LEU 32 -1.447 -3.226 2.386 223 HD22 LEU 32 2HD2 LEU 32 -0.738 -2.937 0.797 224 HD23 LEU 32 3HD2 LEU 32 -1.657 -1.662 1.599 225 H GLN 33 H GLN 33 1.934 -3.546 -1.478 226 HA GLN 33 HA GLN 33 4.689 -2.774 -2.109 227 HB2 GLN 33 1HB GLN 33 3.706 -5.004 -2.848 228 HB3 GLN 33 2HB GLN 33 2.710 -4.084 -3.969 229 HG2 GLN 33 1HG GLN 33 4.587 -3.341 -5.184 230 HG3 GLN 33 2HG GLN 33 5.704 -3.882 -3.931 231 HE21 GLN 33 1HE2 GLN 33 2.960 -5.736 -5.035 232 HE22 GLN 33 2HE2 GLN 33 3.867 -6.990 -5.803 233 H VAL 34 H VAL 34 5.078 -0.829 -2.909 234 HA VAL 34 HA VAL 34 2.926 0.884 -3.764 235 HB VAL 34 HB VAL 34 5.909 1.359 -3.711 236 HG11 VAL 34 1HG1 VAL 34 4.992 3.814 -3.731 237 HG12 VAL 34 2HG1 VAL 34 5.218 2.928 -5.241 238 HG13 VAL 34 3HG1 VAL 34 3.609 3.070 -4.532 239 HG21 VAL 34 1HG2 VAL 34 3.708 2.189 -1.823 240 HG22 VAL 34 2HG2 VAL 34 5.003 1.037 -1.493 241 HG23 VAL 34 3HG2 VAL 34 5.380 2.743 -1.732 242 H LEU 35 H LEU 35 2.108 0.762 -5.743 243 HA LEU 35 HA LEU 35 3.780 -0.165 -7.953 244 HB2 LEU 35 1HB LEU 35 0.874 0.487 -8.196 245 HB3 LEU 35 2HB LEU 35 1.834 -0.682 -9.101 246 HG LEU 35 HG LEU 35 1.228 -1.074 -6.187 247 HD11 LEU 35 1HD1 LEU 35 -0.848 -0.725 -7.683 248 HD12 LEU 35 2HD1 LEU 35 -0.778 -2.143 -6.637 249 HD13 LEU 35 3HD1 LEU 35 -0.426 -2.299 -8.358 250 HD21 LEU 35 1HD2 LEU 35 1.530 -3.448 -6.832 251 HD22 LEU 35 2HD2 LEU 35 2.974 -2.465 -7.083 252 HD23 LEU 35 3HD2 LEU 35 1.963 -2.916 -8.457 253 H ASP 36 H ASP 36 1.506 2.490 -7.262 254 HA ASP 36 HA ASP 36 2.802 4.060 -9.382 255 HB2 ASP 36 1HB ASP 36 0.203 3.608 -9.191 256 HB3 ASP 36 2HB ASP 36 0.278 4.950 -8.052 257 H THR 37 H THR 37 3.933 5.847 -8.917 258 HA THR 37 HA THR 37 3.719 6.991 -6.218 259 HB THR 37 HB THR 37 6.166 7.276 -6.126 260 HG1 THR 37 1HG THR 37 7.127 7.083 -8.007 261 HG21 THR 37 1HG2 THR 37 6.293 5.336 -5.029 262 HG22 THR 37 2HG2 THR 37 6.183 4.415 -6.528 263 HG23 THR 37 3HG2 THR 37 4.714 4.930 -5.700 264 H SER 38 H SER 38 2.691 7.827 -8.846 265 HA SER 38 HA SER 38 4.293 10.008 -9.769 266 HB2 SER 38 1HB SER 38 1.483 9.087 -10.320 267 HB3 SER 38 2HB SER 38 2.069 10.626 -10.949 268 HG SER 38 HG SER 38 3.827 9.392 -11.889 269 H HIS 39 H HIS 39 0.954 10.202 -8.568 270 HA HIS 39 HA HIS 39 1.011 12.871 -7.857 271 HB2 HIS 39 1HB HIS 39 -0.975 11.214 -7.954 272 HB3 HIS 39 2HB HIS 39 -0.578 10.868 -6.274 273 HD1 HIS 39 1HD HIS 39 -0.247 13.395 -4.910 274 HD2 HIS 39 2HD HIS 39 -2.950 13.038 -8.045 275 HE1 HIS 39 1HE HIS 39 -1.882 15.282 -4.606 276 HE2 HIS 39 2HE HIS 39 -3.557 14.994 -6.465 277 H GLU 40 H GLU 40 2.638 13.691 -6.666 278 HA GLU 40 HA GLU 40 4.086 12.487 -4.661 279 HB2 GLU 40 1HB GLU 40 3.374 15.373 -5.131 280 HB3 GLU 40 2HB GLU 40 4.413 14.888 -3.798 281 HG2 GLU 40 1HG GLU 40 5.845 13.725 -5.550 282 HG3 GLU 40 2HG GLU 40 4.917 14.634 -6.742 283 H GLY 41 H GLY 41 3.464 11.609 -2.808 284 HA2 GLY 41 1HA GLY 41 2.641 12.110 -0.547 285 HA3 GLY 41 2HA GLY 41 1.283 12.925 -1.309 286 H TRP 42 H TRP 42 0.125 11.364 -2.965 287 HA TRP 42 HA TRP 42 -0.580 8.993 -1.402 288 HB2 TRP 42 1HB TRP 42 -2.014 10.332 -3.706 289 HB3 TRP 42 2HB TRP 42 -2.607 8.929 -2.822 290 HD1 TRP 42 HD TRP 42 -2.157 12.705 -2.495 291 HE1 TRP 42 1HE TRP 42 -3.504 13.526 -0.461 292 HE3 TRP 42 3HE TRP 42 -3.506 8.180 -0.534 293 HZ2 TRP 42 2HZ TRP 42 -4.947 12.404 1.690 294 HZ3 TRP 42 3HZ TRP 42 -4.869 8.142 1.514 295 HH2 TRP 42 HH TRP 42 -5.573 10.211 2.602 296 H TRP 43 H TRP 43 -0.106 6.990 -2.048 297 HA TRP 43 HA TRP 43 0.827 6.613 -4.818 298 HB2 TRP 43 1HB TRP 43 1.849 5.257 -2.313 299 HB3 TRP 43 2HB TRP 43 2.360 4.872 -3.954 300 HD1 TRP 43 HD TRP 43 2.377 8.178 -4.664 301 HE1 TRP 43 1HE TRP 43 4.496 9.458 -3.961 302 HE3 TRP 43 3HE TRP 43 4.205 4.882 -1.210 303 HZ2 TRP 43 2HZ TRP 43 6.658 9.115 -2.178 304 HZ3 TRP 43 3HZ TRP 43 6.305 5.433 -0.051 305 HH2 TRP 43 HH TRP 43 7.504 7.505 -0.526 306 H LEU 44 H LEU 44 0.273 4.687 -5.855 307 HA LEU 44 HA LEU 44 -2.080 3.369 -4.734 308 HB2 LEU 44 1HB LEU 44 -2.316 4.232 -6.968 309 HB3 LEU 44 2HB LEU 44 -0.881 3.355 -7.498 310 HG LEU 44 HG LEU 44 -2.179 1.229 -6.949 311 HD11 LEU 44 1HD1 LEU 44 -3.946 2.815 -5.745 312 HD12 LEU 44 2HD1 LEU 44 -4.396 1.275 -6.478 313 HD13 LEU 44 3HD1 LEU 44 -4.667 2.782 -7.354 314 HD21 LEU 44 1HD2 LEU 44 -3.571 2.678 -9.135 315 HD22 LEU 44 2HD2 LEU 44 -2.833 1.076 -9.125 316 HD23 LEU 44 3HD2 LEU 44 -1.818 2.514 -9.238 317 H ALA 45 H ALA 45 -1.503 1.755 -3.397 318 HA ALA 45 HA ALA 45 0.467 -0.203 -4.385 319 HB1 ALA 45 1HB ALA 45 -0.242 0.533 -1.549 320 HB2 ALA 45 2HB ALA 45 0.819 -0.802 -2.001 321 HB3 ALA 45 3HB ALA 45 1.275 0.858 -2.387 322 H ARG 46 H ARG 46 0.073 -2.410 -3.155 323 HA ARG 46 HA ARG 46 -2.802 -3.021 -3.183 324 HB2 ARG 46 1HB ARG 46 -2.435 -5.029 -4.461 325 HB3 ARG 46 2HB ARG 46 -1.758 -3.670 -5.348 326 HG2 ARG 46 1HG ARG 46 0.430 -4.323 -4.932 327 HG3 ARG 46 2HG ARG 46 -0.033 -5.339 -3.564 328 HD2 ARG 46 1HD ARG 46 -0.749 -5.889 -6.441 329 HD3 ARG 46 2HD ARG 46 0.600 -6.631 -5.582 330 HE ARG 46 HE ARG 46 -1.631 -7.131 -4.049 331 HH11 ARG 46 2HH1 ARG 46 -0.584 -7.824 -7.296 332 HH12 ARG 46 1HH1 ARG 46 -1.479 -9.304 -7.408 333 HH21 ARG 46 2HH2 ARG 46 -2.814 -9.077 -4.184 334 HH22 ARG 46 1HH2 ARG 46 -2.748 -10.015 -5.637 335 H HIS 47 H HIS 47 -3.424 -4.855 -1.940 336 HA HIS 47 HA HIS 47 -1.823 -5.200 0.422 337 HB2 HIS 47 1HB HIS 47 -4.555 -5.988 -0.454 338 HB3 HIS 47 2HB HIS 47 -3.809 -6.947 0.822 339 HD1 HIS 47 1HD HIS 47 -2.769 -5.279 2.838 340 HD2 HIS 47 2HD HIS 47 -5.940 -3.900 0.535 341 HE1 HIS 47 1HE HIS 47 -3.820 -3.430 4.180 342 HE2 HIS 47 2HE HIS 47 -5.788 -2.668 2.805 343 H LEU 48 H LEU 48 -0.325 -6.702 0.728 344 HA LEU 48 HA LEU 48 -0.077 -8.889 -1.174 345 HB2 LEU 48 1HB LEU 48 1.741 -8.191 1.122 346 HB3 LEU 48 2HB LEU 48 2.103 -9.245 -0.243 347 HG LEU 48 HG LEU 48 1.463 -6.374 -0.752 348 HD11 LEU 48 1HD1 LEU 48 4.162 -6.331 -0.638 349 HD12 LEU 48 2HD1 LEU 48 3.794 -7.394 0.719 350 HD13 LEU 48 3HD1 LEU 48 3.105 -5.772 0.658 351 HD21 LEU 48 1HD2 LEU 48 2.117 -8.519 -2.340 352 HD22 LEU 48 2HD2 LEU 48 3.657 -7.678 -2.160 353 HD23 LEU 48 3HD2 LEU 48 2.252 -6.820 -2.793 354 H GLU 49 H GLU 49 -0.510 -8.393 2.303 355 HA GLU 49 HA GLU 49 -0.304 -10.900 3.318 356 HB2 GLU 49 1HB GLU 49 -2.105 -8.611 3.941 357 HB3 GLU 49 2HB GLU 49 -2.451 -10.157 4.705 358 HG2 GLU 49 1HG GLU 49 -0.195 -10.208 5.633 359 HG3 GLU 49 2HG GLU 49 0.156 -8.660 4.865 360 H LYS 50 H LYS 50 -1.152 -12.809 2.853 361 HA LYS 50 HA LYS 50 -3.829 -12.903 1.623 362 HB2 LYS 50 1HB LYS 50 -2.917 -15.070 0.538 363 HB3 LYS 50 2HB LYS 50 -2.453 -13.520 -0.151 364 HG2 LYS 50 1HG LYS 50 -0.379 -13.717 1.367 365 HG3 LYS 50 2HG LYS 50 -0.818 -15.423 1.476 366 HD2 LYS 50 1HD LYS 50 -0.927 -15.299 -1.114 367 HD3 LYS 50 2HD LYS 50 0.040 -13.836 -0.914 368 HE2 LYS 50 1HE LYS 50 1.573 -15.295 0.541 369 HE3 LYS 50 2HE LYS 50 0.727 -16.663 -0.179 370 HZ1 LYS 50 1HZ LYS 50 1.841 -14.592 -1.937 371 HZ2 LYS 50 2HZ LYS 50 1.600 -16.239 -2.237 372 HZ3 LYS 50 3HZ LYS 50 2.886 -15.737 -1.260 373 H LYS 51 H LYS 51 -5.026 -13.459 3.375 374 HA LYS 51 HA LYS 51 -5.031 -16.141 4.233 375 HB2 LYS 51 1HB LYS 51 -3.032 -14.948 5.497 376 HB3 LYS 51 2HB LYS 51 -4.330 -14.375 6.535 377 HG2 LYS 51 1HG LYS 51 -4.798 -16.466 7.342 378 HG3 LYS 51 2HG LYS 51 -4.178 -17.279 5.904 379 HD2 LYS 51 1HD LYS 51 -1.899 -16.219 6.729 380 HD3 LYS 51 2HD LYS 51 -2.725 -16.251 8.288 381 HE2 LYS 51 1HE LYS 51 -1.773 -18.321 8.331 382 HE3 LYS 51 2HE LYS 51 -3.289 -18.722 7.526 383 HZ1 LYS 51 1HZ LYS 51 -0.673 -19.042 6.570 384 HZ2 LYS 51 2HZ LYS 51 -1.461 -17.928 5.571 385 HZ3 LYS 51 3HZ LYS 51 -2.127 -19.464 5.813 386 H GLY 52 H GLY 52 -6.993 -16.648 5.050 387 HA2 GLY 52 1HA GLY 52 -9.246 -16.304 5.435 388 HA3 GLY 52 2HA GLY 52 -8.631 -15.301 6.740 389 H THR 53 H THR 53 -8.780 -14.961 3.193 390 HA THR 53 HA THR 53 -9.343 -12.164 3.377 391 HB THR 53 HB THR 53 -9.732 -12.349 0.892 392 HG1 THR 53 1HG THR 53 -8.849 -15.030 1.278 393 HG21 THR 53 1HG2 THR 53 -7.282 -13.211 0.498 394 HG22 THR 53 2HG2 THR 53 -7.212 -13.179 2.260 395 HG23 THR 53 3HG2 THR 53 -7.572 -11.703 1.365 396 H GLY 54 H GLY 54 -11.255 -14.986 2.325 397 HA2 GLY 54 1HA GLY 54 -13.527 -15.364 2.552 398 HA3 GLY 54 2HA GLY 54 -13.660 -13.831 3.402 399 H LEU 55 H LEU 55 -14.744 -12.278 2.399 400 HA LEU 55 HA LEU 55 -15.559 -12.645 -0.346 401 HB2 LEU 55 1HB LEU 55 -17.083 -11.820 1.440 402 HB3 LEU 55 2HB LEU 55 -16.127 -10.342 1.514 403 HG LEU 55 HG LEU 55 -17.328 -11.141 -1.095 404 HD11 LEU 55 1HD1 LEU 55 -19.307 -9.649 -0.290 405 HD12 LEU 55 2HD1 LEU 55 -18.818 -10.199 1.312 406 HD13 LEU 55 3HD1 LEU 55 -19.290 -11.372 0.083 407 HD21 LEU 55 1HD2 LEU 55 -15.753 -9.159 -0.634 408 HD22 LEU 55 2HD2 LEU 55 -17.154 -8.413 0.136 409 HD23 LEU 55 3HD2 LEU 55 -17.219 -8.864 -1.569 410 H GLY 56 H GLY 56 -15.130 -11.257 -2.073 411 HA2 GLY 56 1HA GLY 56 -12.526 -10.241 -2.253 412 HA3 GLY 56 2HA GLY 56 -13.828 -9.895 -3.381 413 H GLN 57 H GLN 57 -11.886 -8.697 -0.838 414 HA GLN 57 HA GLN 57 -13.500 -6.241 -0.690 415 HB2 GLN 57 1HB GLN 57 -12.423 -5.777 1.423 416 HB3 GLN 57 2HB GLN 57 -13.088 -7.405 1.459 417 HG2 GLN 57 1HG GLN 57 -10.220 -6.901 0.759 418 HG3 GLN 57 2HG GLN 57 -10.758 -7.031 2.432 419 HE21 GLN 57 1HE2 GLN 57 -9.547 -8.703 -0.136 420 HE22 GLN 57 2HE2 GLN 57 -9.997 -10.305 0.329 421 H GLN 58 H GLN 58 -12.234 -4.205 -0.443 422 HA GLN 58 HA GLN 58 -10.680 -3.646 -2.617 423 HB2 GLN 58 1HB GLN 58 -11.691 -2.093 -0.770 424 HB3 GLN 58 2HB GLN 58 -10.101 -2.243 -0.033 425 HG2 GLN 58 1HG GLN 58 -9.047 -1.129 -1.761 426 HG3 GLN 58 2HG GLN 58 -10.356 -1.445 -2.898 427 HE21 GLN 58 1HE2 GLN 58 -12.270 -0.218 -2.744 428 HE22 GLN 58 2HE2 GLN 58 -12.283 1.324 -1.965 429 H LEU 59 H LEU 59 -8.542 -3.681 -3.152 430 HA LEU 59 HA LEU 59 -6.661 -4.771 -1.173 431 HB2 LEU 59 1HB LEU 59 -5.618 -6.071 -3.041 432 HB3 LEU 59 2HB LEU 59 -7.204 -6.635 -2.521 433 HG LEU 59 HG LEU 59 -6.875 -4.851 -4.915 434 HD11 LEU 59 1HD1 LEU 59 -6.760 -6.773 -6.334 435 HD12 LEU 59 2HD1 LEU 59 -6.894 -7.863 -4.955 436 HD13 LEU 59 3HD1 LEU 59 -5.448 -6.876 -5.160 437 HD21 LEU 59 1HD2 LEU 59 -8.960 -6.713 -5.182 438 HD22 LEU 59 2HD2 LEU 59 -9.091 -4.976 -4.905 439 HD23 LEU 59 3HD2 LEU 59 -9.062 -6.088 -3.536 440 H GLN 60 H GLN 60 -7.181 -2.903 -4.102 441 HA GLN 60 HA GLN 60 -4.525 -1.684 -3.729 442 HB2 GLN 60 1HB GLN 60 -6.030 -2.461 -6.174 443 HB3 GLN 60 2HB GLN 60 -5.062 -0.995 -6.251 444 HG2 GLN 60 1HG GLN 60 -3.072 -2.204 -5.703 445 HG3 GLN 60 2HG GLN 60 -3.996 -3.673 -5.396 446 HE21 GLN 60 1HE2 GLN 60 -3.808 -1.268 -8.004 447 HE22 GLN 60 2HE2 GLN 60 -3.641 -2.418 -9.282 448 H GLY 61 H GLY 61 -4.373 0.502 -3.570 449 HA2 GLY 61 1HA GLY 61 -6.353 2.329 -4.425 450 HA3 GLY 61 2HA GLY 61 -6.569 1.994 -2.714 451 H TYR 62 H TYR 62 -6.114 4.499 -3.113 452 HA TYR 62 HA TYR 62 -3.294 5.131 -3.218 453 HB2 TYR 62 1HB TYR 62 -5.736 6.849 -2.743 454 HB3 TYR 62 2HB TYR 62 -4.092 7.475 -2.828 455 HD1 TYR 62 2HD TYR 62 -2.830 6.339 -5.047 456 HD2 TYR 62 1HD TYR 62 -6.955 7.298 -4.639 457 HE1 TYR 62 2HE TYR 62 -3.023 6.523 -7.492 458 HE2 TYR 62 1HE TYR 62 -7.160 7.484 -7.083 459 HH TYR 62 HH TYR 62 -5.583 7.974 -9.030 460 H ILE 63 H ILE 63 -1.971 5.506 -1.541 461 HA ILE 63 HA ILE 63 -3.119 5.818 1.139 462 HB ILE 63 HB ILE 63 -1.456 4.259 2.081 463 HG12 ILE 63 1HG1 ILE 63 -0.964 3.273 -0.721 464 HG13 ILE 63 2HG1 ILE 63 0.064 4.498 0.014 465 HG21 ILE 63 1HG2 ILE 63 -3.506 3.235 1.913 466 HG22 ILE 63 2HG2 ILE 63 -3.535 3.340 0.154 467 HG23 ILE 63 3HG2 ILE 63 -2.509 2.146 0.949 468 HD11 ILE 63 1HD1 ILE 63 1.269 2.750 0.700 469 HD12 ILE 63 2HD1 ILE 63 0.031 2.592 1.946 470 HD13 ILE 63 3HD1 ILE 63 -0.064 1.618 0.480 471 HA PRO 64 HA PRO 64 -0.095 8.995 1.510 472 HB2 PRO 64 1HB PRO 64 0.039 9.153 4.217 473 HB3 PRO 64 2HB PRO 64 -1.335 9.761 3.286 474 HG2 PRO 64 1HG PRO 64 -1.048 7.178 4.770 475 HG3 PRO 64 2HG PRO 64 -2.432 8.285 4.709 476 HD2 PRO 64 1HD PRO 64 -2.316 6.015 3.237 477 HD3 PRO 64 2HD PRO 64 -3.147 7.478 2.672 478 H SER 65 H SER 65 1.995 8.698 1.080 479 HA SER 65 HA SER 65 3.501 6.463 1.860 480 HB2 SER 65 1HB SER 65 5.444 7.701 0.992 481 HB3 SER 65 2HB SER 65 4.068 7.828 -0.103 482 HG SER 65 HG SER 65 3.650 9.891 0.787 483 H ASN 66 H ASN 66 2.981 9.564 3.370 484 HA ASN 66 HA ASN 66 5.150 9.531 5.168 485 HB2 ASN 66 1HB ASN 66 2.529 10.958 5.032 486 HB3 ASN 66 2HB ASN 66 3.424 10.996 6.549 487 HD21 ASN 66 1HD2 ASN 66 2.997 12.449 3.590 488 HD22 ASN 66 2HD2 ASN 66 4.437 13.403 3.547 489 H TYR 67 H TYR 67 2.384 7.598 5.004 490 HA TYR 67 HA TYR 67 2.328 7.020 7.861 491 HB2 TYR 67 1HB TYR 67 0.593 6.291 5.529 492 HB3 TYR 67 2HB TYR 67 0.516 5.334 7.004 493 HD1 TYR 67 1HD TYR 67 0.717 8.995 6.244 494 HD2 TYR 67 2HD TYR 67 -1.310 5.868 8.296 495 HE1 TYR 67 1HE TYR 67 -0.821 10.645 7.225 496 HE2 TYR 67 2HE TYR 67 -2.855 7.508 9.282 497 HH TYR 67 HH TYR 67 -2.863 10.857 8.283 498 H VAL 68 H VAL 68 3.571 5.732 4.904 499 HA VAL 68 HA VAL 68 4.357 3.254 6.291 500 HB VAL 68 HB VAL 68 4.767 2.354 3.971 501 HG11 VAL 68 1HG1 VAL 68 2.098 2.472 3.529 502 HG12 VAL 68 2HG1 VAL 68 2.864 1.401 4.704 503 HG13 VAL 68 3HG1 VAL 68 2.175 2.939 5.227 504 HG21 VAL 68 1HG2 VAL 68 3.024 4.599 3.013 505 HG22 VAL 68 2HG2 VAL 68 4.782 4.731 2.994 506 HG23 VAL 68 3HG2 VAL 68 3.984 3.460 2.069 507 H ALA 69 H ALA 69 6.460 2.320 5.321 508 HA ALA 69 HA ALA 69 8.405 4.467 4.818 509 HB1 ALA 69 1HB ALA 69 8.907 2.180 6.715 510 HB2 ALA 69 2HB ALA 69 9.962 3.556 6.389 511 HB3 ALA 69 3HB ALA 69 8.426 3.800 7.222 512 H GLU 70 H GLU 70 10.662 3.264 4.386 513 HA GLU 70 HA GLU 70 10.085 1.353 2.232 514 HB2 GLU 70 1HB GLU 70 11.198 3.344 1.456 515 HB3 GLU 70 2HB GLU 70 12.436 3.190 2.694 516 HG2 GLU 70 1HG GLU 70 13.546 1.540 1.584 517 HG3 GLU 70 2HG GLU 70 12.092 0.948 0.783 518 H ASP 71 H ASP 71 10.092 -0.601 3.265 519 HA ASP 71 HA ASP 71 12.375 -1.299 4.951 520 HB2 ASP 71 1HB ASP 71 9.863 -1.809 5.470 521 HB3 ASP 71 2HB ASP 71 10.097 -3.159 4.363 522 H SER 72 H SER 72 14.109 -2.002 3.895 523 HA SER 72 HA SER 72 14.318 -2.878 1.313 524 HB2 SER 72 1HB SER 72 15.956 -3.461 3.761 525 HB3 SER 72 2HB SER 72 16.365 -4.217 2.221 526 HG SER 72 HG SER 72 16.733 -2.229 1.343 527 H GLY 73 H GLY 73 14.597 -4.970 0.348 528 HA2 GLY 73 1HA GLY 73 13.769 -7.325 1.797 529 HA3 GLY 73 2HA GLY 73 12.573 -6.751 0.644 530 HA PRO 74 HA PRO 74 16.198 -9.249 -1.317 531 HB2 PRO 74 1HB PRO 74 15.280 -11.794 -1.089 532 HB3 PRO 74 2HB PRO 74 16.342 -11.045 0.109 533 HG2 PRO 74 1HG PRO 74 13.370 -11.400 0.171 534 HG3 PRO 74 2HG PRO 74 14.554 -11.642 1.470 535 HD2 PRO 74 1HD PRO 74 13.033 -9.409 1.281 536 HD3 PRO 74 2HD PRO 74 14.679 -9.390 1.945 537 H SER 75 H SER 75 15.881 -8.971 -3.429 538 HA SER 75 HA SER 75 13.742 -10.376 -4.778 539 HB2 SER 75 1HB SER 75 12.836 -8.390 -5.892 540 HB3 SER 75 2HB SER 75 12.656 -8.253 -4.144 541 HG SER 75 HG SER 75 14.073 -6.696 -5.874 542 H SER 76 H SER 76 14.658 -11.296 -6.477 543 HA SER 76 HA SER 76 17.202 -10.986 -7.386 544 HB2 SER 76 1HB SER 76 14.695 -11.956 -8.685 545 HB3 SER 76 2HB SER 76 16.124 -11.736 -9.693 546 HG SER 76 HG SER 76 15.748 -13.465 -7.499 547 H GLY 77 H GLY 77 18.327 -9.538 -8.528 548 HA2 GLY 77 1HA GLY 77 16.834 -7.529 -10.090 549 HA3 GLY 77 2HA GLY 77 18.088 -7.034 -8.962 Start of MODEL 17 1 H1 GLY 1 H GLY 1 4.481 -10.157 -17.821 2 HA2 GLY 1 1HA GLY 1 3.857 -9.325 -20.192 3 HA3 GLY 1 2HA GLY 1 3.004 -8.081 -19.290 4 H SER 2 H SER 2 4.076 -6.234 -19.233 5 HA SER 2 HA SER 2 7.017 -6.311 -19.276 6 HB2 SER 2 1HB SER 2 6.939 -4.063 -20.209 7 HB3 SER 2 2HB SER 2 5.922 -5.136 -21.171 8 HG SER 2 HG SER 2 4.263 -4.256 -19.478 9 H SER 3 H SER 3 8.211 -5.131 -17.808 10 HA SER 3 HA SER 3 7.047 -3.342 -15.922 11 HB2 SER 3 1HB SER 3 7.418 -4.704 -13.896 12 HB3 SER 3 2HB SER 3 6.207 -5.431 -14.953 13 HG SER 3 HG SER 3 7.764 -6.887 -15.671 14 H GLY 4 H GLY 4 8.580 -2.079 -14.991 15 HA2 GLY 4 1HA GLY 4 11.295 -2.416 -15.913 16 HA3 GLY 4 2HA GLY 4 10.671 -1.072 -14.968 17 H SER 5 H SER 5 11.585 -0.895 -13.046 18 HA SER 5 HA SER 5 12.794 -3.257 -11.816 19 HB2 SER 5 1HB SER 5 14.023 -1.711 -10.417 20 HB3 SER 5 2HB SER 5 14.138 -1.166 -12.090 21 HG SER 5 HG SER 5 12.093 0.085 -11.321 22 H SER 6 H SER 6 10.038 -3.284 -11.748 23 HA SER 6 HA SER 6 8.819 -2.137 -9.519 24 HB2 SER 6 1HB SER 6 7.727 -3.400 -11.461 25 HB3 SER 6 2HB SER 6 8.112 -4.874 -10.574 26 HG SER 6 HG SER 6 5.976 -3.581 -10.260 27 H GLY 7 H GLY 7 9.584 -2.273 -7.507 28 HA2 GLY 7 1HA GLY 7 9.529 -4.667 -6.044 29 HA3 GLY 7 2HA GLY 7 11.194 -4.350 -6.508 30 H GLN 8 H GLN 8 8.564 -2.176 -5.498 31 HA GLN 8 HA GLN 8 10.373 -1.128 -3.427 32 HB2 GLN 8 1HB GLN 8 8.104 0.162 -4.937 33 HB3 GLN 8 2HB GLN 8 8.824 0.886 -3.505 34 HG2 GLN 8 1HG GLN 8 10.977 0.997 -4.612 35 HG3 GLN 8 2HG GLN 8 10.304 0.205 -6.036 36 HE21 GLN 8 1HE2 GLN 8 8.733 1.335 -7.277 37 HE22 GLN 8 2HE2 GLN 8 8.678 3.062 -7.262 38 H TYR 9 H TYR 9 9.920 -2.308 -1.641 39 HA TYR 9 HA TYR 9 7.130 -2.751 -0.891 40 HB2 TYR 9 1HB TYR 9 9.525 -3.739 0.639 41 HB3 TYR 9 2HB TYR 9 7.898 -4.406 0.598 42 HD1 TYR 9 2HD TYR 9 7.283 -4.737 -2.179 43 HD2 TYR 9 1HD TYR 9 11.010 -5.291 -0.204 44 HE1 TYR 9 2HE TYR 9 7.972 -6.317 -3.934 45 HE2 TYR 9 1HE TYR 9 11.710 -6.871 -1.954 46 HH TYR 9 HH TYR 9 10.249 -7.133 -4.884 47 H PHE 10 H PHE 10 6.190 -1.914 0.923 48 HA PHE 10 HA PHE 10 7.804 -0.092 2.572 49 HB2 PHE 10 1HB PHE 10 5.305 0.495 1.051 50 HB3 PHE 10 2HB PHE 10 5.523 1.265 2.619 51 HD1 PHE 10 1HD PHE 10 7.424 0.650 -0.532 52 HD2 PHE 10 2HD PHE 10 6.560 3.310 2.677 53 HE1 PHE 10 1HE PHE 10 8.840 2.368 -1.579 54 HE2 PHE 10 2HE PHE 10 7.974 5.032 1.634 55 HZ PHE 10 HZ PHE 10 9.115 4.563 -0.497 56 H VAL 11 H VAL 11 7.017 0.258 4.707 57 HA VAL 11 HA VAL 11 5.202 -1.872 5.636 58 HB VAL 11 HB VAL 11 7.490 -2.147 6.468 59 HG11 VAL 11 1HG1 VAL 11 8.670 -0.546 7.652 60 HG12 VAL 11 2HG1 VAL 11 7.859 0.423 6.421 61 HG13 VAL 11 3HG1 VAL 11 7.219 0.368 8.064 62 HG21 VAL 11 1HG2 VAL 11 5.548 -1.274 8.606 63 HG22 VAL 11 2HG2 VAL 11 5.624 -2.873 7.864 64 HG23 VAL 11 3HG2 VAL 11 6.965 -2.296 8.855 65 H ALA 12 H ALA 12 3.420 -1.320 6.737 66 HA ALA 12 HA ALA 12 2.682 1.440 6.927 67 HB1 ALA 12 1HB ALA 12 1.048 -0.297 6.371 68 HB2 ALA 12 2HB ALA 12 1.257 -1.003 7.975 69 HB3 ALA 12 3HB ALA 12 0.569 0.612 7.804 70 H LEU 13 H LEU 13 3.841 2.572 8.407 71 HA LEU 13 HA LEU 13 4.733 1.633 10.888 72 HB2 LEU 13 1HB LEU 13 4.066 4.473 10.131 73 HB3 LEU 13 2HB LEU 13 5.106 3.963 11.459 74 HG LEU 13 HG LEU 13 5.793 3.237 8.635 75 HD11 LEU 13 1HD1 LEU 13 6.444 5.290 8.058 76 HD12 LEU 13 2HD1 LEU 13 7.121 5.621 9.652 77 HD13 LEU 13 3HD1 LEU 13 5.398 5.855 9.361 78 HD21 LEU 13 1HD2 LEU 13 8.062 3.268 9.540 79 HD22 LEU 13 2HD2 LEU 13 7.023 2.176 10.456 80 HD23 LEU 13 3HD2 LEU 13 7.434 3.762 11.112 81 H PHE 14 H PHE 14 1.680 3.020 9.900 82 HA PHE 14 HA PHE 14 0.612 2.428 12.568 83 HB2 PHE 14 1HB PHE 14 -0.164 4.906 11.027 84 HB3 PHE 14 2HB PHE 14 -0.607 4.483 12.678 85 HD1 PHE 14 1HD PHE 14 1.005 4.694 14.491 86 HD2 PHE 14 2HD PHE 14 1.982 5.844 10.511 87 HE1 PHE 14 1HE PHE 14 2.953 5.940 15.333 88 HE2 PHE 14 2HE PHE 14 3.931 7.091 11.346 89 HZ PHE 14 HZ PHE 14 4.420 7.139 13.759 90 H ASP 15 H ASP 15 -1.785 2.285 12.574 91 HA ASP 15 HA ASP 15 -2.658 0.705 10.335 92 HB2 ASP 15 1HB ASP 15 -4.719 0.388 11.656 93 HB3 ASP 15 2HB ASP 15 -3.273 0.044 12.601 94 H TYR 16 H TYR 16 -4.572 1.093 9.095 95 HA TYR 16 HA TYR 16 -5.821 3.681 9.141 96 HB2 TYR 16 1HB TYR 16 -3.836 4.329 7.946 97 HB3 TYR 16 2HB TYR 16 -3.964 2.937 6.876 98 HD1 TYR 16 2HD TYR 16 -5.643 6.112 7.818 99 HD2 TYR 16 1HD TYR 16 -5.190 3.071 4.877 100 HE1 TYR 16 2HE TYR 16 -6.948 7.462 6.229 101 HE2 TYR 16 1HE TYR 16 -6.493 4.413 3.280 102 HH TYR 16 HH TYR 16 -7.542 6.334 2.913 103 H GLN 17 H GLN 17 -7.874 3.389 8.595 104 HA GLN 17 HA GLN 17 -8.560 1.060 6.930 105 HB2 GLN 17 1HB GLN 17 -9.867 2.342 9.275 106 HB3 GLN 17 2HB GLN 17 -10.914 1.651 8.043 107 HG2 GLN 17 1HG GLN 17 -10.148 -0.503 8.415 108 HG3 GLN 17 2HG GLN 17 -8.667 0.053 9.193 109 HE21 GLN 17 1HE2 GLN 17 -8.704 -0.645 11.207 110 HE22 GLN 17 2HE2 GLN 17 -10.032 -0.511 12.303 111 H ALA 18 H ALA 18 -8.340 2.109 4.940 112 HA ALA 18 HA ALA 18 -9.118 4.525 4.062 113 HB1 ALA 18 1HB ALA 18 -8.317 3.367 2.303 114 HB2 ALA 18 2HB ALA 18 -9.069 1.856 2.818 115 HB3 ALA 18 3HB ALA 18 -10.027 3.076 1.979 116 H ARG 19 H ARG 19 -10.915 5.706 3.989 117 HA ARG 19 HA ARG 19 -13.404 4.587 4.916 118 HB2 ARG 19 1HB ARG 19 -12.753 7.378 3.950 119 HB3 ARG 19 2HB ARG 19 -14.244 6.894 4.745 120 HG2 ARG 19 1HG ARG 19 -12.727 6.147 6.680 121 HG3 ARG 19 2HG ARG 19 -11.494 7.137 5.896 122 HD2 ARG 19 1HD ARG 19 -12.630 8.435 7.589 123 HD3 ARG 19 2HD ARG 19 -13.022 9.067 5.990 124 HE ARG 19 HE ARG 19 -15.055 7.360 6.481 125 HH11 ARG 19 2HH1 ARG 19 -13.647 9.971 8.303 126 HH12 ARG 19 1HH1 ARG 19 -15.128 10.387 9.101 127 HH21 ARG 19 2HH2 ARG 19 -17.011 7.898 7.525 128 HH22 ARG 19 1HH2 ARG 19 -17.040 9.206 8.658 129 H THR 20 H THR 20 -12.216 6.054 1.910 130 HA THR 20 HA THR 20 -14.700 5.417 0.541 131 HB THR 20 HB THR 20 -13.682 6.516 -1.412 132 HG1 THR 20 1HG THR 20 -11.597 7.603 -0.940 133 HG21 THR 20 1HG2 THR 20 -14.678 8.252 -0.394 134 HG22 THR 20 2HG2 THR 20 -13.051 8.722 0.096 135 HG23 THR 20 3HG2 THR 20 -14.067 7.786 1.193 136 H ALA 21 H ALA 21 -14.959 3.872 -1.013 137 HA ALA 21 HA ALA 21 -13.508 1.524 -0.914 138 HB1 ALA 21 1HB ALA 21 -15.685 2.558 -2.443 139 HB2 ALA 21 2HB ALA 21 -14.585 1.692 -3.516 140 HB3 ALA 21 3HB ALA 21 -15.263 0.878 -2.106 141 H GLU 22 H GLU 22 -12.948 4.388 -2.839 142 HA GLU 22 HA GLU 22 -11.212 3.338 -4.762 143 HB2 GLU 22 1HB GLU 22 -11.692 6.035 -3.599 144 HB3 GLU 22 2HB GLU 22 -10.214 5.799 -4.521 145 HG2 GLU 22 1HG GLU 22 -11.843 4.768 -6.290 146 HG3 GLU 22 2HG GLU 22 -13.046 5.725 -5.427 147 H ASP 23 H ASP 23 -10.520 4.704 -1.559 148 HA ASP 23 HA ASP 23 -7.701 4.212 -1.765 149 HB2 ASP 23 1HB ASP 23 -9.499 5.056 0.503 150 HB3 ASP 23 2HB ASP 23 -7.779 4.756 0.733 151 H LEU 24 H LEU 24 -6.491 2.768 -0.396 152 HA LEU 24 HA LEU 24 -7.914 0.242 0.026 153 HB2 LEU 24 1HB LEU 24 -5.873 0.342 -1.423 154 HB3 LEU 24 2HB LEU 24 -4.943 0.736 0.020 155 HG LEU 24 HG LEU 24 -5.913 -1.504 0.929 156 HD11 LEU 24 1HD1 LEU 24 -7.377 -2.382 -0.541 157 HD12 LEU 24 2HD1 LEU 24 -5.914 -3.020 -1.290 158 HD13 LEU 24 3HD1 LEU 24 -6.658 -1.552 -1.922 159 HD21 LEU 24 1HD2 LEU 24 -3.570 -0.782 -0.526 160 HD22 LEU 24 2HD2 LEU 24 -4.021 -2.433 -0.952 161 HD23 LEU 24 3HD2 LEU 24 -3.759 -1.998 0.738 162 H SER 25 H SER 25 -7.498 -1.023 1.931 163 HA SER 25 HA SER 25 -6.948 0.662 4.279 164 HB2 SER 25 1HB SER 25 -8.350 -1.979 4.473 165 HB3 SER 25 2HB SER 25 -8.513 -0.550 5.494 166 HG SER 25 HG SER 25 -9.593 -1.031 2.933 167 H PHE 26 H PHE 26 -5.791 -0.261 6.058 168 HA PHE 26 HA PHE 26 -4.502 -2.781 5.903 169 HB2 PHE 26 1HB PHE 26 -2.198 -2.034 5.562 170 HB3 PHE 26 2HB PHE 26 -3.191 -1.628 4.166 171 HD1 PHE 26 2HD PHE 26 -1.516 -0.268 7.150 172 HD2 PHE 26 1HD PHE 26 -3.535 0.623 3.511 173 HE1 PHE 26 2HE PHE 26 -0.802 2.079 7.333 174 HE2 PHE 26 1HE PHE 26 -2.823 2.972 3.687 175 HZ PHE 26 HZ PHE 26 -1.456 3.703 5.601 176 H ARG 27 H ARG 27 -2.812 -3.009 7.644 177 HA ARG 27 HA ARG 27 -3.411 -1.195 9.888 178 HB2 ARG 27 1HB ARG 27 -2.908 -4.174 10.020 179 HB3 ARG 27 2HB ARG 27 -3.200 -3.120 11.396 180 HG2 ARG 27 1HG ARG 27 -5.416 -2.562 10.143 181 HG3 ARG 27 2HG ARG 27 -5.100 -4.088 9.316 182 HD2 ARG 27 1HD ARG 27 -5.107 -3.819 12.312 183 HD3 ARG 27 2HD ARG 27 -6.553 -4.212 11.384 184 HE ARG 27 HE ARG 27 -4.611 -6.015 10.601 185 HH11 ARG 27 2HH1 ARG 27 -6.264 -5.152 13.541 186 HH12 ARG 27 1HH1 ARG 27 -6.156 -6.742 14.222 187 HH21 ARG 27 2HH2 ARG 27 -4.463 -8.112 11.486 188 HH22 ARG 27 1HH2 ARG 27 -5.131 -8.424 13.053 189 H ALA 28 H ALA 28 -1.699 -1.500 11.693 190 HA ALA 28 HA ALA 28 0.787 -0.663 10.674 191 HB1 ALA 28 1HB ALA 28 1.478 -1.251 13.159 192 HB2 ALA 28 2HB ALA 28 0.467 0.144 12.782 193 HB3 ALA 28 3HB ALA 28 -0.271 -1.348 13.363 194 H GLY 29 H GLY 29 2.315 -1.842 9.737 195 HA2 GLY 29 1HA GLY 29 3.998 -3.569 9.994 196 HA3 GLY 29 2HA GLY 29 2.763 -4.587 10.719 197 H ASP 30 H ASP 30 0.701 -4.141 8.845 198 HA ASP 30 HA ASP 30 0.881 -6.131 7.077 199 HB2 ASP 30 1HB ASP 30 -0.967 -4.274 7.428 200 HB3 ASP 30 2HB ASP 30 -0.237 -3.585 5.981 201 H LYS 31 H LYS 31 1.845 -6.641 5.183 202 HA LYS 31 HA LYS 31 4.004 -4.907 4.295 203 HB2 LYS 31 1HB LYS 31 3.229 -7.719 3.504 204 HB3 LYS 31 2HB LYS 31 4.624 -6.858 2.866 205 HG2 LYS 31 1HG LYS 31 4.299 -7.214 5.815 206 HG3 LYS 31 2HG LYS 31 4.931 -8.527 4.818 207 HD2 LYS 31 1HD LYS 31 6.723 -7.101 4.023 208 HD3 LYS 31 2HD LYS 31 6.061 -5.730 4.915 209 HE2 LYS 31 1HE LYS 31 7.923 -6.688 6.130 210 HE3 LYS 31 2HE LYS 31 6.425 -6.951 7.020 211 HZ1 LYS 31 1HZ LYS 31 8.209 -8.875 5.797 212 HZ2 LYS 31 2HZ LYS 31 6.564 -9.179 5.552 213 HZ3 LYS 31 3HZ LYS 31 7.173 -9.048 7.124 214 H LEU 32 H LEU 32 3.552 -3.391 2.843 215 HA LEU 32 HA LEU 32 1.717 -4.071 0.640 216 HB2 LEU 32 1HB LEU 32 2.164 -1.340 1.831 217 HB3 LEU 32 2HB LEU 32 1.026 -1.758 0.552 218 HG LEU 32 HG LEU 32 0.776 -3.009 3.261 219 HD11 LEU 32 1HD1 LEU 32 -0.017 -0.232 2.452 220 HD12 LEU 32 2HD1 LEU 32 0.815 -0.768 3.912 221 HD13 LEU 32 3HD1 LEU 32 -0.899 -1.122 3.694 222 HD21 LEU 32 1HD2 LEU 32 -0.525 -3.780 1.243 223 HD22 LEU 32 2HD2 LEU 32 -1.330 -2.211 1.264 224 HD23 LEU 32 3HD2 LEU 32 -1.490 -3.304 2.640 225 H GLN 33 H GLN 33 2.406 -3.713 -1.399 226 HA GLN 33 HA GLN 33 5.138 -2.684 -1.709 227 HB2 GLN 33 1HB GLN 33 4.797 -4.952 -2.529 228 HB3 GLN 33 2HB GLN 33 3.466 -4.410 -3.543 229 HG2 GLN 33 1HG GLN 33 5.136 -2.916 -4.710 230 HG3 GLN 33 2HG GLN 33 6.390 -3.801 -3.843 231 HE21 GLN 33 1HE2 GLN 33 5.874 -3.617 -6.706 232 HE22 GLN 33 2HE2 GLN 33 5.644 -5.238 -7.257 233 H VAL 34 H VAL 34 5.376 -0.697 -2.464 234 HA VAL 34 HA VAL 34 3.200 0.814 -3.510 235 HB VAL 34 HB VAL 34 6.151 1.404 -3.319 236 HG11 VAL 34 1HG1 VAL 34 4.002 2.850 -4.725 237 HG12 VAL 34 2HG1 VAL 34 5.042 3.830 -3.690 238 HG13 VAL 34 3HG1 VAL 34 5.745 2.866 -4.990 239 HG21 VAL 34 1HG2 VAL 34 5.440 1.615 -1.176 240 HG22 VAL 34 2HG2 VAL 34 4.953 3.210 -1.750 241 HG23 VAL 34 3HG2 VAL 34 3.765 1.910 -1.643 242 H LEU 35 H LEU 35 2.453 0.787 -5.516 243 HA LEU 35 HA LEU 35 4.166 -0.234 -7.664 244 HB2 LEU 35 1HB LEU 35 1.209 0.313 -7.777 245 HB3 LEU 35 2HB LEU 35 2.172 -0.638 -8.906 246 HG LEU 35 HG LEU 35 1.866 -1.482 -6.043 247 HD11 LEU 35 1HD1 LEU 35 -0.326 -1.093 -7.578 248 HD12 LEU 35 2HD1 LEU 35 -0.191 -2.335 -6.334 249 HD13 LEU 35 3HD1 LEU 35 0.102 -2.745 -8.024 250 HD21 LEU 35 1HD2 LEU 35 2.381 -2.992 -8.603 251 HD22 LEU 35 2HD2 LEU 35 2.303 -3.688 -6.985 252 HD23 LEU 35 3HD2 LEU 35 3.593 -2.558 -7.398 253 H ASP 36 H ASP 36 1.890 2.428 -7.026 254 HA ASP 36 HA ASP 36 3.212 3.963 -9.163 255 HB2 ASP 36 1HB ASP 36 0.657 3.446 -9.197 256 HB3 ASP 36 2HB ASP 36 0.558 4.715 -7.979 257 H THR 37 H THR 37 4.197 5.848 -8.704 258 HA THR 37 HA THR 37 3.898 6.937 -5.984 259 HB THR 37 HB THR 37 6.307 7.523 -6.007 260 HG1 THR 37 1HG THR 37 6.450 7.341 -8.386 261 HG21 THR 37 1HG2 THR 37 6.054 5.638 -4.740 262 HG22 THR 37 2HG2 THR 37 7.070 4.976 -6.020 263 HG23 THR 37 3HG2 THR 37 5.326 4.718 -6.056 264 H SER 38 H SER 38 2.617 7.746 -8.467 265 HA SER 38 HA SER 38 3.946 10.215 -9.231 266 HB2 SER 38 1HB SER 38 1.367 8.931 -10.155 267 HB3 SER 38 2HB SER 38 1.984 10.461 -10.780 268 HG SER 38 HG SER 38 3.246 9.356 -12.028 269 H HIS 39 H HIS 39 0.602 9.464 -8.239 270 HA HIS 39 HA HIS 39 -0.069 12.078 -7.510 271 HB2 HIS 39 1HB HIS 39 -1.523 9.888 -7.823 272 HB3 HIS 39 2HB HIS 39 -1.323 9.777 -6.077 273 HD1 HIS 39 1HD HIS 39 -3.667 10.367 -5.377 274 HD2 HIS 39 2HD HIS 39 -2.010 13.165 -7.964 275 HE1 HIS 39 1HE HIS 39 -5.277 12.299 -5.399 276 HE2 HIS 39 2HE HIS 39 -4.296 13.943 -7.036 277 H GLU 40 H GLU 40 1.840 12.764 -6.340 278 HA GLU 40 HA GLU 40 3.016 11.822 -4.127 279 HB2 GLU 40 1HB GLU 40 3.296 14.147 -3.334 280 HB3 GLU 40 2HB GLU 40 3.612 13.978 -5.055 281 HG2 GLU 40 1HG GLU 40 0.875 14.750 -4.205 282 HG3 GLU 40 2HG GLU 40 2.159 15.953 -4.091 283 H GLY 41 H GLY 41 2.626 11.553 -1.971 284 HA2 GLY 41 1HA GLY 41 1.457 11.651 0.041 285 HA3 GLY 41 2HA GLY 41 0.196 12.572 -0.766 286 H TRP 42 H TRP 42 -0.086 10.594 -2.918 287 HA TRP 42 HA TRP 42 -1.301 8.379 -1.405 288 HB2 TRP 42 1HB TRP 42 -2.508 9.956 -3.682 289 HB3 TRP 42 2HB TRP 42 -3.150 8.414 -3.123 290 HD1 TRP 42 HD TRP 42 -3.215 12.087 -2.378 291 HE1 TRP 42 1HE TRP 42 -4.693 12.530 -0.318 292 HE3 TRP 42 3HE TRP 42 -3.823 7.274 -0.765 293 HZ2 TRP 42 2HZ TRP 42 -5.949 11.037 1.722 294 HZ3 TRP 42 3HZ TRP 42 -5.177 6.868 1.249 295 HH2 TRP 42 HH TRP 42 -6.217 8.711 2.466 296 H TRP 43 H TRP 43 -0.145 6.636 -1.915 297 HA TRP 43 HA TRP 43 0.732 6.290 -4.701 298 HB2 TRP 43 1HB TRP 43 1.758 5.036 -2.147 299 HB3 TRP 43 2HB TRP 43 2.327 4.613 -3.760 300 HD1 TRP 43 HD TRP 43 2.194 7.878 -4.614 301 HE1 TRP 43 1HE TRP 43 4.223 9.299 -3.914 302 HE3 TRP 43 3HE TRP 43 4.093 4.841 -0.966 303 HZ2 TRP 43 2HZ TRP 43 6.347 9.152 -2.061 304 HZ3 TRP 43 3HZ TRP 43 6.126 5.554 0.222 305 HH2 TRP 43 HH TRP 43 7.229 7.665 -0.316 306 H LEU 44 H LEU 44 0.426 4.296 -5.752 307 HA LEU 44 HA LEU 44 -1.905 2.824 -4.785 308 HB2 LEU 44 1HB LEU 44 -2.137 3.567 -7.015 309 HB3 LEU 44 2HB LEU 44 -0.526 2.999 -7.449 310 HG LEU 44 HG LEU 44 -1.475 0.644 -6.974 311 HD11 LEU 44 1HD1 LEU 44 -4.082 1.973 -7.624 312 HD12 LEU 44 2HD1 LEU 44 -3.581 1.687 -5.957 313 HD13 LEU 44 3HD1 LEU 44 -3.783 0.327 -7.062 314 HD21 LEU 44 1HD2 LEU 44 -2.105 2.377 -9.337 315 HD22 LEU 44 2HD2 LEU 44 -2.576 0.678 -9.299 316 HD23 LEU 44 3HD2 LEU 44 -0.874 1.125 -9.173 317 H ALA 45 H ALA 45 -1.343 1.246 -3.407 318 HA ALA 45 HA ALA 45 0.847 -0.560 -4.203 319 HB1 ALA 45 1HB ALA 45 0.631 0.861 -1.866 320 HB2 ALA 45 2HB ALA 45 0.017 -0.730 -1.414 321 HB3 ALA 45 3HB ALA 45 1.629 -0.572 -2.111 322 H ARG 46 H ARG 46 0.572 -2.829 -3.400 323 HA ARG 46 HA ARG 46 -2.260 -3.639 -3.478 324 HB2 ARG 46 1HB ARG 46 -1.702 -5.529 -4.843 325 HB3 ARG 46 2HB ARG 46 -1.037 -4.095 -5.613 326 HG2 ARG 46 1HG ARG 46 1.156 -4.680 -4.482 327 HG3 ARG 46 2HG ARG 46 0.422 -6.240 -4.106 328 HD2 ARG 46 1HD ARG 46 0.345 -5.225 -6.910 329 HD3 ARG 46 2HD ARG 46 1.841 -5.918 -6.286 330 HE ARG 46 HE ARG 46 -0.052 -7.766 -5.657 331 HH11 ARG 46 2HH1 ARG 46 0.923 -6.183 -8.600 332 HH12 ARG 46 1HH1 ARG 46 0.493 -7.520 -9.615 333 HH21 ARG 46 2HH2 ARG 46 -0.623 -9.532 -6.982 334 HH22 ARG 46 1HH2 ARG 46 -0.388 -9.424 -8.694 335 H HIS 47 H HIS 47 -2.855 -5.426 -2.237 336 HA HIS 47 HA HIS 47 -1.364 -5.797 0.157 337 HB2 HIS 47 1HB HIS 47 -3.921 -6.837 -0.957 338 HB3 HIS 47 2HB HIS 47 -3.169 -7.756 0.344 339 HD1 HIS 47 1HD HIS 47 -2.711 -6.335 2.601 340 HD2 HIS 47 2HD HIS 47 -5.363 -4.679 -0.134 341 HE1 HIS 47 1HE HIS 47 -3.999 -4.596 3.882 342 HE2 HIS 47 2HE HIS 47 -5.656 -3.667 2.228 343 H LEU 48 H LEU 48 0.371 -7.032 0.375 344 HA LEU 48 HA LEU 48 0.925 -9.148 -1.529 345 HB2 LEU 48 1HB LEU 48 2.550 -8.283 0.856 346 HB3 LEU 48 2HB LEU 48 3.093 -9.278 -0.494 347 HG LEU 48 HG LEU 48 2.217 -6.420 -0.841 348 HD11 LEU 48 1HD1 LEU 48 5.024 -6.642 -1.023 349 HD12 LEU 48 2HD1 LEU 48 4.541 -7.371 0.508 350 HD13 LEU 48 3HD1 LEU 48 4.074 -5.711 0.136 351 HD21 LEU 48 1HD2 LEU 48 2.313 -7.174 -2.962 352 HD22 LEU 48 2HD2 LEU 48 3.343 -8.544 -2.545 353 HD23 LEU 48 3HD2 LEU 48 4.048 -6.939 -2.749 354 H GLU 49 H GLU 49 0.310 -8.811 1.941 355 HA GLU 49 HA GLU 49 0.738 -11.421 2.757 356 HB2 GLU 49 1HB GLU 49 -1.147 -9.285 3.711 357 HB3 GLU 49 2HB GLU 49 -1.139 -10.875 4.460 358 HG2 GLU 49 1HG GLU 49 1.361 -9.246 4.179 359 HG3 GLU 49 2HG GLU 49 0.262 -9.048 5.543 360 H LYS 50 H LYS 50 -0.509 -13.266 2.883 361 HA LYS 50 HA LYS 50 -2.694 -13.410 0.949 362 HB2 LYS 50 1HB LYS 50 -1.073 -15.537 2.350 363 HB3 LYS 50 2HB LYS 50 -2.443 -15.897 1.307 364 HG2 LYS 50 1HG LYS 50 -1.275 -14.746 -0.548 365 HG3 LYS 50 2HG LYS 50 0.122 -14.536 0.511 366 HD2 LYS 50 1HD LYS 50 -1.017 -17.268 0.155 367 HD3 LYS 50 2HD LYS 50 -0.035 -16.580 -1.139 368 HE2 LYS 50 1HE LYS 50 0.818 -16.838 1.743 369 HE3 LYS 50 2HE LYS 50 1.281 -17.940 0.447 370 HZ1 LYS 50 1HZ LYS 50 3.058 -16.494 0.572 371 HZ2 LYS 50 2HZ LYS 50 2.091 -15.138 0.867 372 HZ3 LYS 50 3HZ LYS 50 2.146 -15.816 -0.682 373 H LYS 51 H LYS 51 -3.344 -12.049 3.278 374 HA LYS 51 HA LYS 51 -4.818 -13.924 4.960 375 HB2 LYS 51 1HB LYS 51 -4.087 -11.028 5.166 376 HB3 LYS 51 2HB LYS 51 -5.440 -11.643 6.106 377 HG2 LYS 51 1HG LYS 51 -2.845 -13.093 6.220 378 HG3 LYS 51 2HG LYS 51 -3.015 -11.571 7.098 379 HD2 LYS 51 1HD LYS 51 -4.986 -13.829 7.364 380 HD3 LYS 51 2HD LYS 51 -3.555 -13.689 8.388 381 HE2 LYS 51 1HE LYS 51 -5.334 -11.321 8.115 382 HE3 LYS 51 2HE LYS 51 -5.889 -12.670 9.105 383 HZ1 LYS 51 1HZ LYS 51 -4.345 -12.270 10.675 384 HZ2 LYS 51 2HZ LYS 51 -4.384 -10.702 10.044 385 HZ3 LYS 51 3HZ LYS 51 -3.163 -11.773 9.571 386 H GLY 52 H GLY 52 -5.499 -10.954 3.099 387 HA2 GLY 52 1HA GLY 52 -7.335 -10.841 1.556 388 HA3 GLY 52 2HA GLY 52 -8.168 -12.051 2.520 389 H THR 53 H THR 53 -6.894 -8.737 2.753 390 HA THR 53 HA THR 53 -9.288 -8.043 4.324 391 HB THR 53 HB THR 53 -7.888 -6.346 5.519 392 HG1 THR 53 1HG THR 53 -6.093 -6.135 4.257 393 HG21 THR 53 1HG2 THR 53 -8.424 -8.739 6.330 394 HG22 THR 53 2HG2 THR 53 -7.156 -7.836 7.159 395 HG23 THR 53 3HG2 THR 53 -6.729 -9.075 5.979 396 H GLY 54 H GLY 54 -9.644 -5.598 4.341 397 HA2 GLY 54 1HA GLY 54 -9.219 -3.506 3.133 398 HA3 GLY 54 2HA GLY 54 -8.959 -4.480 1.693 399 H LEU 55 H LEU 55 -11.114 -2.514 3.219 400 HA LEU 55 HA LEU 55 -13.611 -3.543 3.073 401 HB2 LEU 55 1HB LEU 55 -12.556 -0.850 2.309 402 HB3 LEU 55 2HB LEU 55 -14.270 -1.218 2.129 403 HG LEU 55 HG LEU 55 -12.750 -1.382 4.729 404 HD11 LEU 55 1HD1 LEU 55 -13.028 0.799 4.996 405 HD12 LEU 55 2HD1 LEU 55 -14.750 0.662 4.640 406 HD13 LEU 55 3HD1 LEU 55 -13.595 0.903 3.329 407 HD21 LEU 55 1HD2 LEU 55 -15.568 -1.891 3.904 408 HD22 LEU 55 2HD2 LEU 55 -15.251 -1.215 5.503 409 HD23 LEU 55 3HD2 LEU 55 -14.550 -2.769 5.046 410 H GLY 56 H GLY 56 -14.821 -4.513 1.585 411 HA2 GLY 56 1HA GLY 56 -15.737 -5.033 -0.468 412 HA3 GLY 56 2HA GLY 56 -14.855 -3.677 -1.155 413 H GLN 57 H GLN 57 -13.738 -6.626 0.492 414 HA GLN 57 HA GLN 57 -11.920 -7.945 -0.071 415 HB2 GLN 57 1HB GLN 57 -12.463 -9.346 -2.046 416 HB3 GLN 57 2HB GLN 57 -13.813 -9.172 -0.932 417 HG2 GLN 57 1HG GLN 57 -14.753 -8.953 -3.054 418 HG3 GLN 57 2HG GLN 57 -14.622 -7.303 -2.448 419 HE21 GLN 57 1HE2 GLN 57 -12.835 -9.687 -4.362 420 HE22 GLN 57 2HE2 GLN 57 -12.181 -8.551 -5.488 421 H GLN 58 H GLN 58 -11.415 -5.220 -0.754 422 HA GLN 58 HA GLN 58 -10.265 -5.176 -3.400 423 HB2 GLN 58 1HB GLN 58 -11.285 -3.208 -1.985 424 HB3 GLN 58 2HB GLN 58 -9.658 -3.110 -1.324 425 HG2 GLN 58 1HG GLN 58 -9.727 -1.567 -3.087 426 HG3 GLN 58 2HG GLN 58 -8.835 -2.957 -3.704 427 HE21 GLN 58 1HE2 GLN 58 -9.758 -4.250 -5.281 428 HE22 GLN 58 2HE2 GLN 58 -11.144 -3.758 -6.187 429 H LEU 59 H LEU 59 -8.014 -4.796 -3.833 430 HA LEU 59 HA LEU 59 -6.203 -5.739 -1.714 431 HB2 LEU 59 1HB LEU 59 -4.963 -7.037 -3.344 432 HB3 LEU 59 2HB LEU 59 -6.642 -7.568 -3.264 433 HG LEU 59 HG LEU 59 -5.682 -5.683 -5.398 434 HD11 LEU 59 1HD1 LEU 59 -4.257 -7.629 -5.547 435 HD12 LEU 59 2HD1 LEU 59 -5.436 -7.651 -6.858 436 HD13 LEU 59 3HD1 LEU 59 -5.657 -8.698 -5.456 437 HD21 LEU 59 1HD2 LEU 59 -7.670 -7.372 -6.343 438 HD22 LEU 59 2HD2 LEU 59 -7.861 -5.689 -5.850 439 HD23 LEU 59 3HD2 LEU 59 -8.168 -6.988 -4.696 440 H GLN 60 H GLN 60 -6.632 -3.878 -4.666 441 HA GLN 60 HA GLN 60 -4.128 -2.448 -4.060 442 HB2 GLN 60 1HB GLN 60 -5.357 -3.312 -6.626 443 HB3 GLN 60 2HB GLN 60 -4.520 -1.765 -6.613 444 HG2 GLN 60 1HG GLN 60 -2.470 -2.757 -6.040 445 HG3 GLN 60 2HG GLN 60 -3.241 -4.278 -5.594 446 HE21 GLN 60 1HE2 GLN 60 -2.773 -2.118 -8.359 447 HE22 GLN 60 2HE2 GLN 60 -2.650 -3.372 -9.541 448 H GLY 61 H GLY 61 -4.160 -0.250 -3.910 449 HA2 GLY 61 1HA GLY 61 -6.216 1.416 -4.893 450 HA3 GLY 61 2HA GLY 61 -6.534 1.044 -3.205 451 H TYR 62 H TYR 62 -6.291 3.534 -3.354 452 HA TYR 62 HA TYR 62 -3.543 4.453 -3.355 453 HB2 TYR 62 1HB TYR 62 -6.128 5.927 -2.806 454 HB3 TYR 62 2HB TYR 62 -4.541 6.680 -2.930 455 HD1 TYR 62 2HD TYR 62 -3.260 5.845 -5.211 456 HD2 TYR 62 1HD TYR 62 -7.465 6.186 -4.656 457 HE1 TYR 62 2HE TYR 62 -3.557 6.077 -7.642 458 HE2 TYR 62 1HE TYR 62 -7.773 6.418 -7.085 459 HH TYR 62 HH TYR 62 -6.298 5.612 -9.212 460 H ILE 63 H ILE 63 -2.318 4.883 -1.613 461 HA ILE 63 HA ILE 63 -3.568 4.910 1.038 462 HB ILE 63 HB ILE 63 -1.848 3.451 1.967 463 HG12 ILE 63 1HG1 ILE 63 -0.980 2.779 -0.837 464 HG13 ILE 63 2HG1 ILE 63 -0.192 4.057 0.083 465 HG21 ILE 63 1HG2 ILE 63 -3.201 1.730 1.599 466 HG22 ILE 63 2HG2 ILE 63 -3.986 2.678 0.338 467 HG23 ILE 63 3HG2 ILE 63 -2.656 1.596 -0.072 468 HD11 ILE 63 1HD1 ILE 63 0.880 1.761 0.121 469 HD12 ILE 63 2HD1 ILE 63 0.622 2.550 1.678 470 HD13 ILE 63 3HD1 ILE 63 -0.467 1.269 1.148 471 HA PRO 64 HA PRO 64 -0.903 8.352 1.690 472 HB2 PRO 64 1HB PRO 64 -0.863 8.362 4.405 473 HB3 PRO 64 2HB PRO 64 -2.266 8.880 3.463 474 HG2 PRO 64 1HG PRO 64 -1.753 6.256 4.809 475 HG3 PRO 64 2HG PRO 64 -3.242 7.217 4.762 476 HD2 PRO 64 1HD PRO 64 -2.849 5.063 3.170 477 HD3 PRO 64 2HD PRO 64 -3.812 6.464 2.660 478 H SER 65 H SER 65 1.197 8.161 1.198 479 HA SER 65 HA SER 65 2.907 6.097 1.924 480 HB2 SER 65 1HB SER 65 4.740 7.582 1.218 481 HB3 SER 65 2HB SER 65 3.389 7.656 0.087 482 HG SER 65 HG SER 65 2.736 9.591 1.138 483 H ASN 66 H ASN 66 2.286 9.185 3.518 484 HA ASN 66 HA ASN 66 4.305 9.225 5.394 485 HB2 ASN 66 1HB ASN 66 1.422 10.066 5.774 486 HB3 ASN 66 2HB ASN 66 2.764 10.547 6.808 487 HD21 ASN 66 1HD2 ASN 66 2.905 12.665 6.446 488 HD22 ASN 66 2HD2 ASN 66 3.145 13.394 4.898 489 H TYR 67 H TYR 67 1.252 7.452 5.484 490 HA TYR 67 HA TYR 67 1.465 6.501 8.125 491 HB2 TYR 67 1HB TYR 67 -0.054 5.609 5.698 492 HB3 TYR 67 2HB TYR 67 -0.053 4.612 7.148 493 HD1 TYR 67 1HD TYR 67 -0.422 8.258 6.375 494 HD2 TYR 67 2HD TYR 67 -1.917 4.868 8.467 495 HE1 TYR 67 1HE TYR 67 -2.222 9.642 7.321 496 HE2 TYR 67 2HE TYR 67 -3.721 6.242 9.418 497 HH TYR 67 HH TYR 67 -3.938 9.718 8.733 498 H VAL 68 H VAL 68 2.800 5.376 5.094 499 HA VAL 68 HA VAL 68 4.010 3.081 6.485 500 HB VAL 68 HB VAL 68 4.403 2.109 4.266 501 HG11 VAL 68 1HG1 VAL 68 1.815 2.613 5.449 502 HG12 VAL 68 2HG1 VAL 68 1.690 2.355 3.708 503 HG13 VAL 68 3HG1 VAL 68 2.455 1.137 4.728 504 HG21 VAL 68 1HG2 VAL 68 3.115 3.220 2.343 505 HG22 VAL 68 2HG2 VAL 68 3.154 4.675 3.339 506 HG23 VAL 68 3HG2 VAL 68 4.662 3.923 2.816 507 H ALA 69 H ALA 69 6.150 2.466 5.102 508 HA ALA 69 HA ALA 69 7.750 4.773 4.432 509 HB1 ALA 69 1HB ALA 69 8.549 5.118 6.482 510 HB2 ALA 69 2HB ALA 69 7.846 3.620 7.092 511 HB3 ALA 69 3HB ALA 69 9.418 3.595 6.294 512 H GLU 70 H GLU 70 10.146 3.982 4.128 513 HA GLU 70 HA GLU 70 10.004 1.779 2.278 514 HB2 GLU 70 1HB GLU 70 11.396 4.002 2.134 515 HB3 GLU 70 2HB GLU 70 12.577 3.090 3.063 516 HG2 GLU 70 1HG GLU 70 11.426 1.931 0.565 517 HG3 GLU 70 2HG GLU 70 12.715 3.130 0.477 518 H ASP 71 H ASP 71 9.694 -0.096 3.429 519 HA ASP 71 HA ASP 71 11.569 -0.772 5.562 520 HB2 ASP 71 1HB ASP 71 8.955 -1.204 5.483 521 HB3 ASP 71 2HB ASP 71 9.454 -2.664 4.632 522 H SER 72 H SER 72 12.896 -2.603 5.522 523 HA SER 72 HA SER 72 14.156 -3.153 3.076 524 HB2 SER 72 1HB SER 72 14.237 -4.700 5.677 525 HB3 SER 72 2HB SER 72 15.346 -4.942 4.327 526 HG SER 72 HG SER 72 15.084 -2.707 6.028 527 H GLY 73 H GLY 73 14.366 -5.248 2.002 528 HA2 GLY 73 1HA GLY 73 11.748 -6.577 1.848 529 HA3 GLY 73 2HA GLY 73 12.973 -6.580 0.588 530 HA PRO 74 HA PRO 74 14.128 -10.606 1.910 531 HB2 PRO 74 1HB PRO 74 16.640 -10.701 0.886 532 HB3 PRO 74 2HB PRO 74 15.189 -10.808 -0.118 533 HG2 PRO 74 1HG PRO 74 16.950 -8.448 0.422 534 HG3 PRO 74 2HG PRO 74 16.236 -8.983 -1.110 535 HD2 PRO 74 1HD PRO 74 15.189 -6.964 0.359 536 HD3 PRO 74 2HD PRO 74 14.185 -8.049 -0.625 537 H SER 75 H SER 75 14.682 -11.227 3.893 538 HA SER 75 HA SER 75 16.757 -9.720 5.326 539 HB2 SER 75 1HB SER 75 14.377 -10.001 6.267 540 HB3 SER 75 2HB SER 75 14.838 -11.673 6.586 541 HG SER 75 HG SER 75 16.321 -11.004 8.033 542 H SER 76 H SER 76 18.484 -10.834 4.263 543 HA SER 76 HA SER 76 20.064 -12.457 4.019 544 HB2 SER 76 1HB SER 76 20.265 -12.039 6.450 545 HB3 SER 76 2HB SER 76 19.071 -13.302 6.753 546 HG SER 76 HG SER 76 20.739 -14.544 5.329 547 H GLY 77 H GLY 77 17.648 -13.051 2.764 548 HA2 GLY 77 1HA GLY 77 17.555 -15.264 1.578 549 HA3 GLY 77 2HA GLY 77 17.425 -15.968 3.183 Start of MODEL 18 1 H1 GLY 1 H GLY 1 4.681 1.199 -19.418 2 HA2 GLY 1 1HA GLY 1 5.080 -1.105 -19.513 3 HA3 GLY 1 2HA GLY 1 5.274 -0.977 -21.255 4 H SER 2 H SER 2 6.873 0.101 -18.258 5 HA SER 2 HA SER 2 9.437 0.241 -19.551 6 HB2 SER 2 1HB SER 2 10.271 0.711 -17.232 7 HB3 SER 2 2HB SER 2 8.987 1.797 -17.763 8 HG SER 2 HG SER 2 8.852 -0.340 -15.927 9 H SER 3 H SER 3 9.830 -1.842 -20.325 10 HA SER 3 HA SER 3 9.552 -4.278 -19.272 11 HB2 SER 3 1HB SER 3 11.696 -4.944 -20.339 12 HB3 SER 3 2HB SER 3 10.703 -3.932 -21.388 13 HG SER 3 HG SER 3 13.167 -3.507 -20.813 14 H GLY 4 H GLY 4 10.480 -5.613 -17.750 15 HA2 GLY 4 1HA GLY 4 11.815 -6.232 -15.959 16 HA3 GLY 4 2HA GLY 4 12.749 -4.761 -16.190 17 H SER 5 H SER 5 12.025 -5.753 -13.670 18 HA SER 5 HA SER 5 10.626 -3.444 -12.632 19 HB2 SER 5 1HB SER 5 9.092 -4.977 -11.254 20 HB3 SER 5 2HB SER 5 8.683 -4.748 -12.954 21 HG SER 5 HG SER 5 9.880 -6.982 -11.708 22 H SER 6 H SER 6 10.898 -3.165 -10.366 23 HA SER 6 HA SER 6 13.081 -4.800 -9.251 24 HB2 SER 6 1HB SER 6 13.368 -2.239 -9.781 25 HB3 SER 6 2HB SER 6 12.495 -2.033 -8.262 26 HG SER 6 HG SER 6 15.072 -2.695 -8.661 27 H GLY 7 H GLY 7 10.122 -3.019 -8.449 28 HA2 GLY 7 1HA GLY 7 8.453 -3.696 -6.963 29 HA3 GLY 7 2HA GLY 7 9.506 -4.987 -6.405 30 H GLN 8 H GLN 8 8.084 -2.127 -5.551 31 HA GLN 8 HA GLN 8 10.173 -1.485 -3.582 32 HB2 GLN 8 1HB GLN 8 7.983 0.153 -4.827 33 HB3 GLN 8 2HB GLN 8 8.738 0.650 -3.319 34 HG2 GLN 8 1HG GLN 8 10.776 1.061 -4.316 35 HG3 GLN 8 2HG GLN 8 10.433 0.009 -5.688 36 HE21 GLN 8 1HE2 GLN 8 11.315 2.828 -5.537 37 HE22 GLN 8 2HE2 GLN 8 10.165 3.717 -6.471 38 H TYR 9 H TYR 9 9.844 -2.357 -1.654 39 HA TYR 9 HA TYR 9 7.097 -2.875 -0.765 40 HB2 TYR 9 1HB TYR 9 9.592 -3.863 0.599 41 HB3 TYR 9 2HB TYR 9 7.961 -4.520 0.688 42 HD1 TYR 9 2HD TYR 9 7.096 -4.949 -1.968 43 HD2 TYR 9 1HD TYR 9 11.033 -5.350 -0.406 44 HE1 TYR 9 2HE TYR 9 7.638 -6.546 -3.759 45 HE2 TYR 9 1HE TYR 9 11.586 -6.947 -2.193 46 HH TYR 9 HH TYR 9 9.142 -8.123 -4.427 47 H PHE 10 H PHE 10 6.185 -1.583 0.677 48 HA PHE 10 HA PHE 10 7.929 0.056 2.397 49 HB2 PHE 10 1HB PHE 10 5.384 0.701 0.957 50 HB3 PHE 10 2HB PHE 10 5.760 1.542 2.458 51 HD1 PHE 10 1HD PHE 10 7.247 0.703 -0.849 52 HD2 PHE 10 2HD PHE 10 7.062 3.446 2.399 53 HE1 PHE 10 1HE PHE 10 8.683 2.266 -2.093 54 HE2 PHE 10 2HE PHE 10 8.498 5.015 1.161 55 HZ PHE 10 HZ PHE 10 9.310 4.426 -1.088 56 H VAL 11 H VAL 11 7.121 0.562 4.522 57 HA VAL 11 HA VAL 11 5.248 -1.475 5.543 58 HB VAL 11 HB VAL 11 7.562 -1.842 6.315 59 HG11 VAL 11 1HG1 VAL 11 7.914 0.778 6.326 60 HG12 VAL 11 2HG1 VAL 11 7.449 0.591 8.018 61 HG13 VAL 11 3HG1 VAL 11 8.843 -0.283 7.383 62 HG21 VAL 11 1HG2 VAL 11 6.237 -0.926 8.786 63 HG22 VAL 11 2HG2 VAL 11 5.299 -2.012 7.762 64 HG23 VAL 11 3HG2 VAL 11 6.880 -2.513 8.362 65 H ALA 12 H ALA 12 3.616 -0.835 6.863 66 HA ALA 12 HA ALA 12 3.009 1.982 6.945 67 HB1 ALA 12 1HB ALA 12 1.564 -0.532 7.544 68 HB2 ALA 12 2HB ALA 12 1.019 0.929 8.369 69 HB3 ALA 12 3HB ALA 12 1.058 0.874 6.607 70 H LEU 13 H LEU 13 3.905 3.248 8.432 71 HA LEU 13 HA LEU 13 4.957 2.258 10.894 72 HB2 LEU 13 1HB LEU 13 4.418 5.147 10.295 73 HB3 LEU 13 2HB LEU 13 5.679 4.450 11.310 74 HG LEU 13 HG LEU 13 5.714 3.863 8.389 75 HD11 LEU 13 1HD1 LEU 13 6.305 5.914 7.706 76 HD12 LEU 13 2HD1 LEU 13 7.203 6.258 9.184 77 HD13 LEU 13 3HD1 LEU 13 5.451 6.458 9.150 78 HD21 LEU 13 1HD2 LEU 13 7.628 2.936 9.017 79 HD22 LEU 13 2HD2 LEU 13 7.430 3.547 10.660 80 HD23 LEU 13 3HD2 LEU 13 8.231 4.538 9.440 81 H PHE 14 H PHE 14 2.003 3.884 9.927 82 HA PHE 14 HA PHE 14 0.951 3.439 12.636 83 HB2 PHE 14 1HB PHE 14 0.144 5.839 11.012 84 HB3 PHE 14 2HB PHE 14 -0.065 5.558 12.738 85 HD1 PHE 14 2HD PHE 14 2.384 6.380 10.111 86 HD2 PHE 14 1HD PHE 14 1.625 6.131 14.292 87 HE1 PHE 14 2HE PHE 14 4.463 7.617 10.558 88 HE2 PHE 14 1HE PHE 14 3.702 7.370 14.746 89 HZ PHE 14 HZ PHE 14 5.125 8.113 12.878 90 H ASP 15 H ASP 15 -1.513 3.622 12.632 91 HA ASP 15 HA ASP 15 -2.499 1.959 10.456 92 HB2 ASP 15 1HB ASP 15 -4.571 1.849 11.933 93 HB3 ASP 15 2HB ASP 15 -3.101 1.142 12.597 94 H TYR 16 H TYR 16 -4.072 2.527 9.024 95 HA TYR 16 HA TYR 16 -5.198 5.234 9.232 96 HB2 TYR 16 1HB TYR 16 -3.485 5.555 7.645 97 HB3 TYR 16 2HB TYR 16 -3.782 3.998 6.880 98 HD1 TYR 16 2HD TYR 16 -5.163 7.405 7.336 99 HD2 TYR 16 1HD TYR 16 -5.307 3.796 5.086 100 HE1 TYR 16 2HE TYR 16 -6.605 8.505 5.674 101 HE2 TYR 16 1HE TYR 16 -6.748 4.887 3.418 102 HH TYR 16 HH TYR 16 -7.131 7.370 2.659 103 H GLN 17 H GLN 17 -7.245 5.519 8.331 104 HA GLN 17 HA GLN 17 -8.635 3.023 7.608 105 HB2 GLN 17 1HB GLN 17 -9.409 5.293 9.372 106 HB3 GLN 17 2HB GLN 17 -10.678 4.518 8.434 107 HG2 GLN 17 1HG GLN 17 -10.076 2.358 9.416 108 HG3 GLN 17 2HG GLN 17 -8.824 3.151 10.371 109 HE21 GLN 17 1HE2 GLN 17 -9.471 3.160 12.402 110 HE22 GLN 17 2HE2 GLN 17 -11.034 3.628 12.967 111 H ALA 18 H ALA 18 -8.686 3.090 5.428 112 HA ALA 18 HA ALA 18 -8.706 5.183 3.703 113 HB1 ALA 18 1HB ALA 18 -10.594 3.056 2.946 114 HB2 ALA 18 2HB ALA 18 -9.176 3.675 2.098 115 HB3 ALA 18 3HB ALA 18 -8.981 2.514 3.411 116 H ARG 19 H ARG 19 -10.017 6.817 3.198 117 HA ARG 19 HA ARG 19 -12.490 7.160 4.611 118 HB2 ARG 19 1HB ARG 19 -12.610 9.282 3.214 119 HB3 ARG 19 2HB ARG 19 -11.230 9.131 4.294 120 HG2 ARG 19 1HG ARG 19 -9.773 8.601 2.495 121 HG3 ARG 19 2HG ARG 19 -11.125 8.425 1.375 122 HD2 ARG 19 1HD ARG 19 -10.314 10.984 2.752 123 HD3 ARG 19 2HD ARG 19 -9.932 10.559 1.084 124 HE ARG 19 HE ARG 19 -12.712 10.400 1.471 125 HH11 ARG 19 2HH1 ARG 19 -10.151 12.749 1.271 126 HH12 ARG 19 1HH1 ARG 19 -11.177 14.010 0.671 127 HH21 ARG 19 2HH2 ARG 19 -14.074 12.052 0.682 128 HH22 ARG 19 1HH2 ARG 19 -13.408 13.612 0.337 129 H THR 20 H THR 20 -11.551 6.531 1.262 130 HA THR 20 HA THR 20 -14.310 5.687 0.720 131 HB THR 20 HB THR 20 -14.516 6.872 -1.273 132 HG1 THR 20 1HG THR 20 -12.782 7.705 -2.408 133 HG21 THR 20 1HG2 THR 20 -14.780 8.476 0.439 134 HG22 THR 20 2HG2 THR 20 -13.736 9.244 -0.757 135 HG23 THR 20 3HG2 THR 20 -13.043 8.577 0.721 136 H ALA 21 H ALA 21 -14.488 4.302 -1.208 137 HA ALA 21 HA ALA 21 -12.875 2.103 -1.165 138 HB1 ALA 21 1HB ALA 21 -14.279 1.347 -2.716 139 HB2 ALA 21 2HB ALA 21 -15.045 2.935 -2.676 140 HB3 ALA 21 3HB ALA 21 -13.791 2.591 -3.867 141 H GLU 22 H GLU 22 -12.459 5.005 -3.144 142 HA GLU 22 HA GLU 22 -10.449 4.216 -4.843 143 HB2 GLU 22 1HB GLU 22 -11.662 6.532 -4.485 144 HB3 GLU 22 2HB GLU 22 -10.228 6.893 -3.534 145 HG2 GLU 22 1HG GLU 22 -8.985 6.015 -5.674 146 HG3 GLU 22 2HG GLU 22 -10.504 6.446 -6.458 147 H ASP 23 H ASP 23 -10.199 5.157 -1.457 148 HA ASP 23 HA ASP 23 -7.307 4.844 -1.486 149 HB2 ASP 23 1HB ASP 23 -9.315 5.901 0.442 150 HB3 ASP 23 2HB ASP 23 -7.812 5.260 1.101 151 H LEU 24 H LEU 24 -6.269 3.490 0.202 152 HA LEU 24 HA LEU 24 -7.764 0.978 0.568 153 HB2 LEU 24 1HB LEU 24 -5.890 0.754 -0.967 154 HB3 LEU 24 2HB LEU 24 -4.798 1.414 0.248 155 HG LEU 24 HG LEU 24 -5.596 -0.647 1.654 156 HD11 LEU 24 1HD1 LEU 24 -7.055 -1.090 -0.655 157 HD12 LEU 24 2HD1 LEU 24 -6.744 -2.254 0.632 158 HD13 LEU 24 3HD1 LEU 24 -5.695 -2.205 -0.785 159 HD21 LEU 24 1HD2 LEU 24 -3.333 -0.508 1.172 160 HD22 LEU 24 2HD2 LEU 24 -3.596 -0.557 -0.571 161 HD23 LEU 24 3HD2 LEU 24 -3.803 -2.019 0.394 162 H SER 25 H SER 25 -7.640 -0.094 2.531 163 HA SER 25 HA SER 25 -6.821 1.587 4.780 164 HB2 SER 25 1HB SER 25 -8.069 -0.331 6.061 165 HB3 SER 25 2HB SER 25 -9.000 0.875 5.172 166 HG SER 25 HG SER 25 -8.997 -1.750 4.840 167 H PHE 26 H PHE 26 -5.290 1.013 6.245 168 HA PHE 26 HA PHE 26 -4.139 -1.645 6.224 169 HB2 PHE 26 1HB PHE 26 -1.821 -0.765 5.886 170 HB3 PHE 26 2HB PHE 26 -2.842 -0.649 4.457 171 HD1 PHE 26 2HD PHE 26 -1.191 1.231 7.134 172 HD2 PHE 26 1HD PHE 26 -3.505 1.476 3.570 173 HE1 PHE 26 2HE PHE 26 -0.695 3.636 6.981 174 HE2 PHE 26 1HE PHE 26 -3.012 3.881 3.411 175 HZ PHE 26 HZ PHE 26 -1.607 4.965 5.119 176 H ARG 27 H ARG 27 -2.527 -1.930 7.956 177 HA ARG 27 HA ARG 27 -2.945 -0.011 10.154 178 HB2 ARG 27 1HB ARG 27 -2.833 -3.025 10.237 179 HB3 ARG 27 2HB ARG 27 -2.680 -2.023 11.673 180 HG2 ARG 27 1HG ARG 27 -4.934 -0.995 10.812 181 HG3 ARG 27 2HG ARG 27 -5.056 -2.535 9.960 182 HD2 ARG 27 1HD ARG 27 -5.039 -3.765 11.961 183 HD3 ARG 27 2HD ARG 27 -4.446 -2.393 12.896 184 HE ARG 27 HE ARG 27 -6.902 -1.646 11.860 185 HH11 ARG 27 2HH1 ARG 27 -5.651 -4.078 14.015 186 HH12 ARG 27 1HH1 ARG 27 -7.107 -4.186 14.948 187 HH21 ARG 27 2HH2 ARG 27 -8.824 -1.779 13.081 188 HH22 ARG 27 1HH2 ARG 27 -8.912 -2.879 14.415 189 H ALA 28 H ALA 28 -1.228 -0.245 11.895 190 HA ALA 28 HA ALA 28 1.293 0.303 10.805 191 HB1 ALA 28 1HB ALA 28 2.053 -0.049 13.244 192 HB2 ALA 28 2HB ALA 28 0.907 1.246 12.892 193 HB3 ALA 28 3HB ALA 28 0.336 -0.273 13.583 194 H GLY 29 H GLY 29 2.497 -1.130 9.731 195 HA2 GLY 29 1HA GLY 29 4.078 -2.912 9.820 196 HA3 GLY 29 2HA GLY 29 3.092 -3.685 11.052 197 H ASP 30 H ASP 30 1.904 -2.362 8.014 198 HA ASP 30 HA ASP 30 1.116 -5.091 7.236 199 HB2 ASP 30 1HB ASP 30 -0.167 -2.411 6.746 200 HB3 ASP 30 2HB ASP 30 -0.577 -3.820 5.772 201 H LYS 31 H LYS 31 2.389 -5.914 5.722 202 HA LYS 31 HA LYS 31 4.180 -4.477 4.130 203 HB2 LYS 31 1HB LYS 31 2.978 -7.203 3.611 204 HB3 LYS 31 2HB LYS 31 4.414 -6.556 2.829 205 HG2 LYS 31 1HG LYS 31 4.275 -6.798 5.808 206 HG3 LYS 31 2HG LYS 31 4.693 -8.186 4.800 207 HD2 LYS 31 1HD LYS 31 6.628 -7.133 3.970 208 HD3 LYS 31 2HD LYS 31 6.110 -5.547 4.546 209 HE2 LYS 31 1HE LYS 31 6.515 -7.737 6.525 210 HE3 LYS 31 2HE LYS 31 7.931 -6.941 5.838 211 HZ1 LYS 31 1HZ LYS 31 5.766 -5.750 7.460 212 HZ2 LYS 31 2HZ LYS 31 6.786 -4.793 6.509 213 HZ3 LYS 31 3HZ LYS 31 7.432 -5.738 7.756 214 H LEU 32 H LEU 32 3.899 -3.254 2.390 215 HA LEU 32 HA LEU 32 1.687 -3.823 0.563 216 HB2 LEU 32 1HB LEU 32 2.251 -1.107 1.744 217 HB3 LEU 32 2HB LEU 32 1.104 -1.435 0.447 218 HG LEU 32 HG LEU 32 0.784 -2.794 3.091 219 HD11 LEU 32 1HD1 LEU 32 0.666 -0.796 4.095 220 HD12 LEU 32 2HD1 LEU 32 -0.892 -0.660 3.281 221 HD13 LEU 32 3HD1 LEU 32 0.543 0.077 2.567 222 HD21 LEU 32 1HD2 LEU 32 -0.812 -2.267 0.668 223 HD22 LEU 32 2HD2 LEU 32 -1.673 -2.154 2.203 224 HD23 LEU 32 3HD2 LEU 32 -0.836 -3.645 1.770 225 H GLN 33 H GLN 33 2.336 -3.780 -1.488 226 HA GLN 33 HA GLN 33 4.986 -2.713 -2.091 227 HB2 GLN 33 1HB GLN 33 4.522 -4.997 -2.802 228 HB3 GLN 33 2HB GLN 33 3.125 -4.451 -3.720 229 HG2 GLN 33 1HG GLN 33 4.823 -2.981 -4.989 230 HG3 GLN 33 2HG GLN 33 6.031 -4.064 -4.300 231 HE21 GLN 33 1HE2 GLN 33 6.569 -4.760 -6.399 232 HE22 GLN 33 2HE2 GLN 33 5.569 -5.879 -7.256 233 H VAL 34 H VAL 34 5.196 -0.753 -2.924 234 HA VAL 34 HA VAL 34 2.956 0.754 -3.855 235 HB VAL 34 HB VAL 34 5.904 1.394 -4.018 236 HG11 VAL 34 1HG1 VAL 34 3.479 3.150 -4.383 237 HG12 VAL 34 2HG1 VAL 34 5.142 3.729 -4.274 238 HG13 VAL 34 3HG1 VAL 34 4.651 2.701 -5.621 239 HG21 VAL 34 1HG2 VAL 34 3.809 2.133 -1.979 240 HG22 VAL 34 2HG2 VAL 34 5.220 1.106 -1.726 241 HG23 VAL 34 3HG2 VAL 34 5.428 2.827 -2.050 242 H LEU 35 H LEU 35 2.097 0.692 -5.815 243 HA LEU 35 HA LEU 35 3.666 -0.409 -8.029 244 HB2 LEU 35 1HB LEU 35 0.748 0.255 -8.149 245 HB3 LEU 35 2HB LEU 35 1.655 -0.922 -9.096 246 HG LEU 35 HG LEU 35 1.376 -1.354 -6.160 247 HD11 LEU 35 1HD1 LEU 35 -0.820 -1.661 -6.172 248 HD12 LEU 35 2HD1 LEU 35 -0.723 -2.676 -7.610 249 HD13 LEU 35 3HD1 LEU 35 -0.865 -0.926 -7.774 250 HD21 LEU 35 1HD2 LEU 35 2.552 -3.119 -6.885 251 HD22 LEU 35 2HD2 LEU 35 2.076 -2.872 -8.566 252 HD23 LEU 35 3HD2 LEU 35 0.995 -3.719 -7.458 253 H ASP 36 H ASP 36 1.383 2.272 -7.455 254 HA ASP 36 HA ASP 36 2.627 3.725 -9.682 255 HB2 ASP 36 1HB ASP 36 0.039 3.310 -9.368 256 HB3 ASP 36 2HB ASP 36 0.165 4.701 -8.295 257 H THR 37 H THR 37 3.842 5.476 -9.345 258 HA THR 37 HA THR 37 3.777 6.735 -6.683 259 HB THR 37 HB THR 37 6.253 7.143 -6.960 260 HG1 THR 37 1HG THR 37 7.176 5.392 -8.410 261 HG21 THR 37 1HG2 THR 37 6.387 4.310 -6.832 262 HG22 THR 37 2HG2 THR 37 4.864 4.811 -6.096 263 HG23 THR 37 3HG2 THR 37 6.390 5.467 -5.502 264 H SER 38 H SER 38 2.307 7.679 -8.843 265 HA SER 38 HA SER 38 3.821 9.837 -10.068 266 HB2 SER 38 1HB SER 38 1.999 10.143 -11.504 267 HB3 SER 38 2HB SER 38 1.966 8.407 -11.198 268 HG SER 38 HG SER 38 0.309 8.720 -9.732 269 H HIS 39 H HIS 39 3.210 9.693 -7.128 270 HA HIS 39 HA HIS 39 2.700 12.451 -6.730 271 HB2 HIS 39 1HB HIS 39 0.370 11.269 -7.168 272 HB3 HIS 39 2HB HIS 39 0.539 10.816 -5.475 273 HD1 HIS 39 1HD HIS 39 -1.340 12.320 -4.640 274 HD2 HIS 39 2HD HIS 39 1.619 14.372 -6.714 275 HE1 HIS 39 1HE HIS 39 -1.804 14.759 -4.237 276 HE2 HIS 39 2HE HIS 39 -0.052 15.982 -5.572 277 H GLU 40 H GLU 40 4.232 12.741 -5.245 278 HA GLU 40 HA GLU 40 5.191 10.833 -3.456 279 HB2 GLU 40 1HB GLU 40 5.269 13.849 -3.312 280 HB3 GLU 40 2HB GLU 40 6.163 12.796 -2.224 281 HG2 GLU 40 1HG GLU 40 7.290 11.816 -4.222 282 HG3 GLU 40 2HG GLU 40 6.503 13.052 -5.200 283 H GLY 41 H GLY 41 2.259 12.492 -3.400 284 HA2 GLY 41 1HA GLY 41 1.979 12.394 -0.494 285 HA3 GLY 41 2HA GLY 41 0.824 13.079 -1.627 286 H TRP 42 H TRP 42 0.298 11.069 -3.341 287 HA TRP 42 HA TRP 42 -0.682 8.895 -1.608 288 HB2 TRP 42 1HB TRP 42 -2.102 10.124 -3.981 289 HB3 TRP 42 2HB TRP 42 -2.696 8.782 -3.007 290 HD1 TRP 42 HD TRP 42 -2.310 12.570 -2.970 291 HE1 TRP 42 1HE TRP 42 -3.645 13.524 -0.987 292 HE3 TRP 42 3HE TRP 42 -3.527 8.192 -0.628 293 HZ2 TRP 42 2HZ TRP 42 -5.030 12.551 1.271 294 HZ3 TRP 42 3HZ TRP 42 -4.859 8.290 1.438 295 HH2 TRP 42 HH TRP 42 -5.594 10.426 2.367 296 H TRP 43 H TRP 43 -0.270 6.865 -2.249 297 HA TRP 43 HA TRP 43 0.744 6.463 -4.986 298 HB2 TRP 43 1HB TRP 43 1.791 5.308 -2.399 299 HB3 TRP 43 2HB TRP 43 2.219 4.665 -3.983 300 HD1 TRP 43 HD TRP 43 2.289 7.875 -5.120 301 HE1 TRP 43 1HE TRP 43 4.495 9.135 -4.711 302 HE3 TRP 43 3HE TRP 43 4.229 4.934 -1.415 303 HZ2 TRP 43 2HZ TRP 43 6.759 8.911 -3.040 304 HZ3 TRP 43 3HZ TRP 43 6.420 5.526 -0.465 305 HH2 TRP 43 HH TRP 43 7.658 7.474 -1.263 306 H LEU 44 H LEU 44 0.382 4.374 -5.902 307 HA LEU 44 HA LEU 44 -2.019 3.087 -4.816 308 HB2 LEU 44 1HB LEU 44 -2.251 3.879 -7.072 309 HB3 LEU 44 2HB LEU 44 -0.781 3.040 -7.561 310 HG LEU 44 HG LEU 44 -1.995 0.882 -7.015 311 HD11 LEU 44 1HD1 LEU 44 -4.393 0.919 -6.924 312 HD12 LEU 44 2HD1 LEU 44 -4.417 2.673 -7.109 313 HD13 LEU 44 3HD1 LEU 44 -3.760 1.951 -5.640 314 HD21 LEU 44 1HD2 LEU 44 -3.279 0.933 -9.144 315 HD22 LEU 44 2HD2 LEU 44 -1.628 1.536 -9.294 316 HD23 LEU 44 3HD2 LEU 44 -2.979 2.669 -9.235 317 H ALA 45 H ALA 45 -1.409 1.535 -3.418 318 HA ALA 45 HA ALA 45 0.577 -0.433 -4.354 319 HB1 ALA 45 1HB ALA 45 0.532 1.067 -1.966 320 HB2 ALA 45 2HB ALA 45 0.191 -0.609 -1.532 321 HB3 ALA 45 3HB ALA 45 1.656 -0.211 -2.430 322 H ARG 46 H ARG 46 0.256 -2.635 -3.320 323 HA ARG 46 HA ARG 46 -2.612 -3.255 -3.073 324 HB2 ARG 46 1HB ARG 46 -2.334 -5.243 -4.387 325 HB3 ARG 46 2HB ARG 46 -1.686 -3.890 -5.305 326 HG2 ARG 46 1HG ARG 46 0.512 -4.574 -5.006 327 HG3 ARG 46 2HG ARG 46 0.108 -5.589 -3.620 328 HD2 ARG 46 1HD ARG 46 -1.073 -6.210 -6.290 329 HD3 ARG 46 2HD ARG 46 0.601 -6.657 -5.960 330 HE ARG 46 HE ARG 46 -1.071 -7.534 -3.860 331 HH11 ARG 46 2HH1 ARG 46 -0.255 -8.235 -7.171 332 HH12 ARG 46 1HH1 ARG 46 -0.647 -9.918 -7.048 333 HH21 ARG 46 2HH2 ARG 46 -1.590 -9.749 -3.685 334 HH22 ARG 46 1HH2 ARG 46 -1.407 -10.778 -5.065 335 H HIS 47 H HIS 47 -3.174 -4.897 -1.650 336 HA HIS 47 HA HIS 47 -1.494 -5.249 0.590 337 HB2 HIS 47 1HB HIS 47 -4.133 -6.334 -0.277 338 HB3 HIS 47 2HB HIS 47 -3.292 -7.152 1.036 339 HD1 HIS 47 1HD HIS 47 -2.822 -5.692 3.203 340 HD2 HIS 47 2HD HIS 47 -5.385 -3.987 0.412 341 HE1 HIS 47 1HE HIS 47 -3.990 -3.824 4.415 342 HE2 HIS 47 2HE HIS 47 -5.597 -2.862 2.731 343 H LEU 48 H LEU 48 0.097 -6.646 0.944 344 HA LEU 48 HA LEU 48 0.538 -8.799 -0.976 345 HB2 LEU 48 1HB LEU 48 2.287 -7.711 1.224 346 HB3 LEU 48 2HB LEU 48 2.751 -8.989 0.103 347 HG LEU 48 HG LEU 48 2.004 -6.230 -0.831 348 HD11 LEU 48 1HD1 LEU 48 4.464 -7.156 0.479 349 HD12 LEU 48 2HD1 LEU 48 3.826 -5.525 0.276 350 HD13 LEU 48 3HD1 LEU 48 4.699 -6.300 -1.045 351 HD21 LEU 48 1HD2 LEU 48 2.513 -6.970 -2.874 352 HD22 LEU 48 2HD2 LEU 48 2.399 -8.590 -2.186 353 HD23 LEU 48 3HD2 LEU 48 3.968 -7.791 -2.309 354 H GLU 49 H GLU 49 -0.020 -8.283 2.463 355 HA GLU 49 HA GLU 49 0.491 -10.758 3.517 356 HB2 GLU 49 1HB GLU 49 -1.475 -8.617 4.153 357 HB3 GLU 49 2HB GLU 49 -1.701 -10.180 4.926 358 HG2 GLU 49 1HG GLU 49 0.923 -8.733 5.006 359 HG3 GLU 49 2HG GLU 49 -0.353 -8.434 6.184 360 H LYS 50 H LYS 50 -0.622 -12.685 3.760 361 HA LYS 50 HA LYS 50 -2.586 -13.227 1.672 362 HB2 LYS 50 1HB LYS 50 -0.998 -15.034 3.497 363 HB3 LYS 50 2HB LYS 50 -2.218 -15.624 2.376 364 HG2 LYS 50 1HG LYS 50 -0.925 -14.618 0.517 365 HG3 LYS 50 2HG LYS 50 0.331 -14.182 1.678 366 HD2 LYS 50 1HD LYS 50 0.183 -16.743 2.285 367 HD3 LYS 50 2HD LYS 50 -0.465 -16.863 0.647 368 HE2 LYS 50 1HE LYS 50 1.621 -15.397 0.046 369 HE3 LYS 50 2HE LYS 50 2.252 -16.032 1.565 370 HZ1 LYS 50 1HZ LYS 50 1.937 -18.266 0.740 371 HZ2 LYS 50 2HZ LYS 50 2.898 -17.390 -0.341 372 HZ3 LYS 50 3HZ LYS 50 1.272 -17.683 -0.702 373 H LYS 51 H LYS 51 -4.606 -12.721 2.262 374 HA LYS 51 HA LYS 51 -5.507 -13.262 4.986 375 HB2 LYS 51 1HB LYS 51 -6.803 -11.807 2.677 376 HB3 LYS 51 2HB LYS 51 -7.584 -12.066 4.231 377 HG2 LYS 51 1HG LYS 51 -6.227 -10.573 5.320 378 HG3 LYS 51 2HG LYS 51 -4.908 -10.762 4.162 379 HD2 LYS 51 1HD LYS 51 -7.491 -9.578 3.250 380 HD3 LYS 51 2HD LYS 51 -6.371 -8.584 4.184 381 HE2 LYS 51 1HE LYS 51 -4.629 -8.934 2.566 382 HE3 LYS 51 2HE LYS 51 -5.620 -10.098 1.687 383 HZ1 LYS 51 1HZ LYS 51 -6.537 -8.459 0.541 384 HZ2 LYS 51 2HZ LYS 51 -5.474 -7.367 1.273 385 HZ3 LYS 51 3HZ LYS 51 -6.999 -7.644 1.949 386 H GLY 52 H GLY 52 -6.630 -13.910 1.659 387 HA2 GLY 52 1HA GLY 52 -7.216 -16.164 1.004 388 HA3 GLY 52 2HA GLY 52 -7.748 -16.450 2.654 389 H THR 53 H THR 53 -9.796 -17.136 2.034 390 HA THR 53 HA THR 53 -11.556 -16.105 0.250 391 HB THR 53 HB THR 53 -12.262 -17.012 3.048 392 HG1 THR 53 1HG THR 53 -11.073 -18.412 1.347 393 HG21 THR 53 1HG2 THR 53 -13.960 -16.846 0.555 394 HG22 THR 53 2HG2 THR 53 -14.110 -15.819 1.981 395 HG23 THR 53 3HG2 THR 53 -14.459 -17.543 2.096 396 H GLY 54 H GLY 54 -12.595 -14.241 -0.071 397 HA2 GLY 54 1HA GLY 54 -13.009 -12.438 2.216 398 HA3 GLY 54 2HA GLY 54 -12.201 -11.831 0.778 399 H LEU 55 H LEU 55 -14.937 -11.461 2.244 400 HA LEU 55 HA LEU 55 -16.573 -11.601 -0.204 401 HB2 LEU 55 1HB LEU 55 -17.303 -11.982 2.680 402 HB3 LEU 55 2HB LEU 55 -18.515 -11.541 1.479 403 HG LEU 55 HG LEU 55 -16.799 -14.007 1.259 404 HD11 LEU 55 1HD1 LEU 55 -17.977 -14.891 2.921 405 HD12 LEU 55 2HD1 LEU 55 -19.399 -14.768 1.886 406 HD13 LEU 55 3HD1 LEU 55 -19.021 -13.473 3.023 407 HD21 LEU 55 1HD2 LEU 55 -18.181 -12.805 -0.681 408 HD22 LEU 55 2HD2 LEU 55 -19.486 -13.747 0.040 409 HD23 LEU 55 3HD2 LEU 55 -18.039 -14.559 -0.559 410 H GLY 56 H GLY 56 -14.928 -9.435 0.149 411 HA2 GLY 56 1HA GLY 56 -15.939 -7.203 -0.475 412 HA3 GLY 56 2HA GLY 56 -16.764 -7.315 1.073 413 H GLN 57 H GLN 57 -13.494 -7.371 -0.328 414 HA GLN 57 HA GLN 57 -12.611 -5.499 1.706 415 HB2 GLN 57 1HB GLN 57 -11.400 -8.250 1.404 416 HB3 GLN 57 2HB GLN 57 -10.629 -6.929 2.272 417 HG2 GLN 57 1HG GLN 57 -12.308 -6.907 3.928 418 HG3 GLN 57 2HG GLN 57 -13.365 -7.946 2.973 419 HE21 GLN 57 1HE2 GLN 57 -10.003 -8.040 4.120 420 HE22 GLN 57 2HE2 GLN 57 -10.084 -9.647 4.746 421 H GLN 58 H GLN 58 -11.430 -3.999 0.735 422 HA GLN 58 HA GLN 58 -10.596 -4.236 -1.963 423 HB2 GLN 58 1HB GLN 58 -11.155 -2.128 -0.465 424 HB3 GLN 58 2HB GLN 58 -9.422 -2.160 -0.167 425 HG2 GLN 58 1HG GLN 58 -9.894 -0.661 -1.978 426 HG3 GLN 58 2HG GLN 58 -9.029 -2.068 -2.595 427 HE21 GLN 58 1HE2 GLN 58 -10.106 -3.541 -3.903 428 HE22 GLN 58 2HE2 GLN 58 -11.615 -3.171 -4.658 429 H LEU 59 H LEU 59 -8.409 -4.037 -2.775 430 HA LEU 59 HA LEU 59 -6.374 -5.146 -0.960 431 HB2 LEU 59 1HB LEU 59 -5.562 -6.592 -2.669 432 HB3 LEU 59 2HB LEU 59 -7.295 -6.864 -2.498 433 HG LEU 59 HG LEU 59 -6.317 -5.007 -4.621 434 HD11 LEU 59 1HD1 LEU 59 -5.083 -7.333 -4.550 435 HD12 LEU 59 2HD1 LEU 59 -5.654 -6.644 -6.069 436 HD13 LEU 59 3HD1 LEU 59 -6.595 -7.898 -5.261 437 HD21 LEU 59 1HD2 LEU 59 -8.382 -6.814 -5.387 438 HD22 LEU 59 2HD2 LEU 59 -8.459 -5.063 -5.190 439 HD23 LEU 59 3HD2 LEU 59 -8.787 -6.121 -3.816 440 H GLN 60 H GLN 60 -7.142 -3.116 -3.699 441 HA GLN 60 HA GLN 60 -4.470 -1.898 -3.470 442 HB2 GLN 60 1HB GLN 60 -5.981 -2.766 -5.880 443 HB3 GLN 60 2HB GLN 60 -5.065 -1.270 -5.998 444 HG2 GLN 60 1HG GLN 60 -3.028 -2.405 -5.441 445 HG3 GLN 60 2HG GLN 60 -3.903 -3.901 -5.120 446 HE21 GLN 60 1HE2 GLN 60 -2.896 -1.651 -7.603 447 HE22 GLN 60 2HE2 GLN 60 -3.052 -2.747 -8.930 448 H GLY 61 H GLY 61 -4.357 0.322 -3.503 449 HA2 GLY 61 1HA GLY 61 -6.440 2.046 -4.298 450 HA3 GLY 61 2HA GLY 61 -6.562 1.773 -2.567 451 H TYR 62 H TYR 62 -6.213 4.266 -3.040 452 HA TYR 62 HA TYR 62 -3.399 4.954 -3.271 453 HB2 TYR 62 1HB TYR 62 -5.854 6.680 -2.887 454 HB3 TYR 62 2HB TYR 62 -4.220 7.297 -3.103 455 HD1 TYR 62 2HD TYR 62 -3.005 6.209 -5.268 456 HD2 TYR 62 1HD TYR 62 -7.200 6.695 -4.752 457 HE1 TYR 62 2HE TYR 62 -3.305 6.162 -7.709 458 HE2 TYR 62 1HE TYR 62 -7.512 6.647 -7.191 459 HH TYR 62 HH TYR 62 -6.102 7.144 -9.237 460 H ILE 63 H ILE 63 -2.079 5.195 -1.600 461 HA ILE 63 HA ILE 63 -3.238 5.744 1.051 462 HB ILE 63 HB ILE 63 -1.568 4.306 2.089 463 HG12 ILE 63 1HG1 ILE 63 -0.805 3.361 -0.673 464 HG13 ILE 63 2HG1 ILE 63 0.095 4.612 0.177 465 HG21 ILE 63 1HG2 ILE 63 -3.792 3.417 1.353 466 HG22 ILE 63 2HG2 ILE 63 -2.986 2.761 -0.071 467 HG23 ILE 63 3HG2 ILE 63 -2.531 2.198 1.538 468 HD11 ILE 63 1HD1 ILE 63 0.788 3.120 1.849 469 HD12 ILE 63 2HD1 ILE 63 -0.391 1.902 1.362 470 HD13 ILE 63 3HD1 ILE 63 0.991 2.256 0.325 471 HA PRO 64 HA PRO 64 -0.389 9.095 1.230 472 HB2 PRO 64 1HB PRO 64 -0.265 9.412 3.924 473 HB3 PRO 64 2HB PRO 64 -1.669 9.893 2.964 474 HG2 PRO 64 1HG PRO 64 -1.245 7.416 4.590 475 HG3 PRO 64 2HG PRO 64 -2.685 8.443 4.470 476 HD2 PRO 64 1HD PRO 64 -2.449 6.103 3.128 477 HD3 PRO 64 2HD PRO 64 -3.357 7.486 2.484 478 H SER 65 H SER 65 1.740 9.033 0.934 479 HA SER 65 HA SER 65 3.368 6.881 1.762 480 HB2 SER 65 1HB SER 65 4.044 8.042 -0.194 481 HB3 SER 65 2HB SER 65 3.996 9.604 0.623 482 HG SER 65 HG SER 65 6.136 8.767 0.360 483 H ASN 66 H ASN 66 2.658 10.004 3.159 484 HA ASN 66 HA ASN 66 4.786 10.145 4.994 485 HB2 ASN 66 1HB ASN 66 2.001 11.317 5.074 486 HB3 ASN 66 2HB ASN 66 3.246 11.693 6.262 487 HD21 ASN 66 1HD2 ASN 66 4.565 13.321 5.847 488 HD22 ASN 66 2HD2 ASN 66 4.761 14.094 4.314 489 H TYR 67 H TYR 67 2.268 7.958 4.815 490 HA TYR 67 HA TYR 67 2.174 7.485 7.702 491 HB2 TYR 67 1HB TYR 67 0.473 6.647 5.387 492 HB3 TYR 67 2HB TYR 67 0.460 5.679 6.857 493 HD1 TYR 67 1HD TYR 67 0.330 9.317 5.976 494 HD2 TYR 67 2HD TYR 67 -1.267 6.134 8.304 495 HE1 TYR 67 1HE TYR 67 -1.293 10.871 6.976 496 HE2 TYR 67 2HE TYR 67 -2.895 7.679 9.309 497 HH TYR 67 HH TYR 67 -3.869 9.743 9.065 498 H VAL 68 H VAL 68 3.451 6.180 4.758 499 HA VAL 68 HA VAL 68 4.374 3.782 6.200 500 HB VAL 68 HB VAL 68 4.664 2.695 4.060 501 HG11 VAL 68 1HG1 VAL 68 1.960 4.020 4.052 502 HG12 VAL 68 2HG1 VAL 68 2.383 2.421 3.436 503 HG13 VAL 68 3HG1 VAL 68 2.414 2.736 5.172 504 HG21 VAL 68 1HG2 VAL 68 4.405 3.697 1.986 505 HG22 VAL 68 2HG2 VAL 68 3.460 5.036 2.636 506 HG23 VAL 68 3HG2 VAL 68 5.199 4.963 2.922 507 H ALA 69 H ALA 69 6.504 2.931 5.081 508 HA ALA 69 HA ALA 69 8.339 5.016 4.288 509 HB1 ALA 69 1HB ALA 69 9.021 3.515 6.799 510 HB2 ALA 69 2HB ALA 69 9.807 4.940 6.117 511 HB3 ALA 69 3HB ALA 69 8.200 5.077 6.832 512 H GLU 70 H GLU 70 10.562 4.109 3.910 513 HA GLU 70 HA GLU 70 10.324 1.659 2.445 514 HB2 GLU 70 1HB GLU 70 12.441 3.711 2.862 515 HB3 GLU 70 2HB GLU 70 12.947 2.117 2.321 516 HG2 GLU 70 1HG GLU 70 11.070 2.445 0.538 517 HG3 GLU 70 2HG GLU 70 11.281 4.152 0.924 518 H ASP 71 H ASP 71 10.267 -0.225 3.482 519 HA ASP 71 HA ASP 71 11.818 -0.597 5.927 520 HB2 ASP 71 1HB ASP 71 9.328 -1.340 5.473 521 HB3 ASP 71 2HB ASP 71 10.104 -2.744 4.745 522 H SER 72 H SER 72 13.635 -1.762 6.046 523 HA SER 72 HA SER 72 14.862 -2.694 3.625 524 HB2 SER 72 1HB SER 72 16.753 -3.317 5.125 525 HB3 SER 72 2HB SER 72 16.244 -1.640 5.319 526 HG SER 72 HG SER 72 16.397 -3.519 7.175 527 H GLY 73 H GLY 73 13.597 -4.401 2.877 528 HA2 GLY 73 1HA GLY 73 13.783 -6.857 4.510 529 HA3 GLY 73 2HA GLY 73 12.344 -6.462 3.583 530 HA PRO 74 HA PRO 74 15.245 -9.164 1.073 531 HB2 PRO 74 1HB PRO 74 13.482 -11.190 0.678 532 HB3 PRO 74 2HB PRO 74 14.568 -11.120 2.071 533 HG2 PRO 74 1HG PRO 74 11.677 -10.368 1.884 534 HG3 PRO 74 2HG PRO 74 12.519 -11.264 3.162 535 HD2 PRO 74 1HD PRO 74 11.904 -8.636 3.387 536 HD3 PRO 74 2HD PRO 74 13.351 -9.345 4.132 537 H SER 75 H SER 75 15.177 -9.386 -1.154 538 HA SER 75 HA SER 75 12.704 -8.687 -2.549 539 HB2 SER 75 1HB SER 75 13.876 -7.047 -3.971 540 HB3 SER 75 2HB SER 75 13.893 -6.559 -2.276 541 HG SER 75 HG SER 75 15.999 -6.877 -2.186 542 H SER 76 H SER 76 12.644 -9.347 -4.743 543 HA SER 76 HA SER 76 13.925 -11.799 -5.260 544 HB2 SER 76 1HB SER 76 12.182 -9.946 -6.821 545 HB3 SER 76 2HB SER 76 13.060 -11.196 -7.702 546 HG SER 76 HG SER 76 10.923 -11.417 -5.986 547 H GLY 77 H GLY 77 14.445 -8.560 -6.645 548 HA2 GLY 77 1HA GLY 77 16.780 -9.492 -8.101 549 HA3 GLY 77 2HA GLY 77 16.112 -7.867 -8.128 Start of MODEL 19 1 H1 GLY 1 H GLY 1 16.420 -18.339 -13.135 2 HA2 GLY 1 1HA GLY 1 17.083 -17.072 -15.245 3 HA3 GLY 1 2HA GLY 1 16.094 -16.165 -14.110 4 H SER 2 H SER 2 16.908 -14.167 -14.702 5 HA SER 2 HA SER 2 19.768 -13.722 -14.165 6 HB2 SER 2 1HB SER 2 19.573 -11.716 -15.569 7 HB3 SER 2 2HB SER 2 19.055 -13.152 -16.453 8 HG SER 2 HG SER 2 17.432 -11.152 -15.272 9 H SER 3 H SER 3 16.522 -12.754 -13.346 10 HA SER 3 HA SER 3 17.458 -11.489 -10.935 11 HB2 SER 3 1HB SER 3 16.445 -9.303 -11.355 12 HB3 SER 3 2HB SER 3 17.675 -9.645 -12.571 13 HG SER 3 HG SER 3 14.941 -9.370 -12.841 14 H GLY 4 H GLY 4 15.861 -11.304 -9.367 15 HA2 GLY 4 1HA GLY 4 13.661 -13.072 -9.614 16 HA3 GLY 4 2HA GLY 4 13.953 -11.972 -8.275 17 H SER 5 H SER 5 13.336 -9.687 -8.619 18 HA SER 5 HA SER 5 11.626 -8.909 -10.726 19 HB2 SER 5 1HB SER 5 10.241 -10.626 -9.312 20 HB3 SER 5 2HB SER 5 10.066 -9.276 -8.190 21 HG SER 5 HG SER 5 9.568 -8.768 -10.881 22 H SER 6 H SER 6 11.457 -6.742 -10.756 23 HA SER 6 HA SER 6 12.696 -5.264 -8.591 24 HB2 SER 6 1HB SER 6 12.840 -3.447 -10.087 25 HB3 SER 6 2HB SER 6 13.084 -4.866 -11.106 26 HG SER 6 HG SER 6 11.293 -4.432 -12.122 27 H GLY 7 H GLY 7 11.702 -3.871 -7.216 28 HA2 GLY 7 1HA GLY 7 9.179 -2.706 -7.562 29 HA3 GLY 7 2HA GLY 7 8.958 -4.206 -6.673 30 H GLN 8 H GLN 8 8.402 -1.574 -5.707 31 HA GLN 8 HA GLN 8 10.474 -1.250 -3.644 32 HB2 GLN 8 1HB GLN 8 8.408 0.693 -4.681 33 HB3 GLN 8 2HB GLN 8 9.440 1.010 -3.293 34 HG2 GLN 8 1HG GLN 8 10.628 2.053 -4.929 35 HG3 GLN 8 2HG GLN 8 11.357 0.449 -4.991 36 HE21 GLN 8 1HE2 GLN 8 11.351 -0.606 -6.861 37 HE22 GLN 8 2HE2 GLN 8 10.470 -0.139 -8.272 38 H TYR 9 H TYR 9 9.971 -2.292 -1.835 39 HA TYR 9 HA TYR 9 7.172 -2.631 -1.078 40 HB2 TYR 9 1HB TYR 9 9.589 -3.757 0.335 41 HB3 TYR 9 2HB TYR 9 7.921 -4.306 0.447 42 HD1 TYR 9 2HD TYR 9 6.862 -5.318 -1.649 43 HD2 TYR 9 1HD TYR 9 11.051 -4.700 -1.232 44 HE1 TYR 9 2HE TYR 9 7.276 -6.952 -3.441 45 HE2 TYR 9 1HE TYR 9 11.476 -6.331 -3.023 46 HH TYR 9 HH TYR 9 10.419 -8.166 -4.131 47 H PHE 10 H PHE 10 6.311 -1.929 0.867 48 HA PHE 10 HA PHE 10 7.979 -0.169 2.519 49 HB2 PHE 10 1HB PHE 10 5.456 0.544 1.077 50 HB3 PHE 10 2HB PHE 10 5.788 1.288 2.638 51 HD1 PHE 10 1HD PHE 10 7.413 0.655 -0.654 52 HD2 PHE 10 2HD PHE 10 7.013 3.235 2.707 53 HE1 PHE 10 1HE PHE 10 8.858 2.312 -1.758 54 HE2 PHE 10 2HE PHE 10 8.456 4.897 1.608 55 HZ PHE 10 HZ PHE 10 9.381 4.436 -0.628 56 H VAL 11 H VAL 11 6.996 0.316 4.633 57 HA VAL 11 HA VAL 11 5.131 -1.791 5.509 58 HB VAL 11 HB VAL 11 7.405 -2.336 6.258 59 HG11 VAL 11 1HG1 VAL 11 8.582 -0.915 7.836 60 HG12 VAL 11 2HG1 VAL 11 8.280 -0.039 6.334 61 HG13 VAL 11 3HG1 VAL 11 7.287 0.279 7.757 62 HG21 VAL 11 1HG2 VAL 11 5.247 -1.658 8.186 63 HG22 VAL 11 2HG2 VAL 11 5.930 -3.227 7.758 64 HG23 VAL 11 3HG2 VAL 11 6.817 -2.143 8.829 65 H ALA 12 H ALA 12 3.417 -1.107 6.630 66 HA ALA 12 HA ALA 12 2.974 1.688 7.010 67 HB1 ALA 12 1HB ALA 12 0.922 0.602 8.337 68 HB2 ALA 12 2HB ALA 12 0.975 0.717 6.577 69 HB3 ALA 12 3HB ALA 12 1.410 -0.794 7.376 70 H LEU 13 H LEU 13 3.493 2.898 8.705 71 HA LEU 13 HA LEU 13 4.604 1.664 11.075 72 HB2 LEU 13 1HB LEU 13 4.157 4.598 10.604 73 HB3 LEU 13 2HB LEU 13 5.303 3.837 11.706 74 HG LEU 13 HG LEU 13 5.603 3.345 8.784 75 HD11 LEU 13 1HD1 LEU 13 5.595 5.966 9.955 76 HD12 LEU 13 2HD1 LEU 13 5.846 5.490 8.276 77 HD13 LEU 13 3HD1 LEU 13 7.213 5.553 9.388 78 HD21 LEU 13 1HD2 LEU 13 7.645 2.639 9.370 79 HD22 LEU 13 2HD2 LEU 13 6.995 2.590 11.009 80 HD23 LEU 13 3HD2 LEU 13 7.907 3.998 10.463 81 H PHE 14 H PHE 14 1.680 3.307 10.113 82 HA PHE 14 HA PHE 14 0.537 2.707 12.745 83 HB2 PHE 14 1HB PHE 14 -0.165 5.274 11.352 84 HB3 PHE 14 2HB PHE 14 -0.393 4.837 13.042 85 HD1 PHE 14 1HD PHE 14 1.552 4.788 14.574 86 HD2 PHE 14 2HD PHE 14 1.843 6.266 10.593 87 HE1 PHE 14 1HE PHE 14 3.658 5.922 15.152 88 HE2 PHE 14 2HE PHE 14 3.949 7.401 11.164 89 HZ PHE 14 HZ PHE 14 4.860 7.230 13.446 90 H ASP 15 H ASP 15 -1.778 2.503 12.753 91 HA ASP 15 HA ASP 15 -2.774 1.138 10.480 92 HB2 ASP 15 1HB ASP 15 -4.705 0.726 11.744 93 HB3 ASP 15 2HB ASP 15 -3.435 0.859 12.958 94 H TYR 16 H TYR 16 -4.788 1.690 9.333 95 HA TYR 16 HA TYR 16 -5.694 4.394 9.247 96 HB2 TYR 16 1HB TYR 16 -3.705 4.880 8.048 97 HB3 TYR 16 2HB TYR 16 -3.831 3.408 7.090 98 HD1 TYR 16 1HD TYR 16 -5.442 3.263 5.242 99 HD2 TYR 16 2HD TYR 16 -4.936 6.860 7.457 100 HE1 TYR 16 1HE TYR 16 -6.609 4.510 3.471 101 HE2 TYR 16 2HE TYR 16 -6.103 8.117 5.693 102 HH TYR 16 HH TYR 16 -6.988 8.032 3.650 103 H GLN 17 H GLN 17 -7.625 4.583 8.182 104 HA GLN 17 HA GLN 17 -8.610 2.165 6.817 105 HB2 GLN 17 1HB GLN 17 -9.553 2.857 9.173 106 HB3 GLN 17 2HB GLN 17 -10.476 4.024 8.235 107 HG2 GLN 17 1HG GLN 17 -11.145 1.975 6.804 108 HG3 GLN 17 2HG GLN 17 -10.615 1.043 8.202 109 HE21 GLN 17 1HE2 GLN 17 -13.233 1.034 7.250 110 HE22 GLN 17 2HE2 GLN 17 -14.256 1.757 8.440 111 H ALA 18 H ALA 18 -8.696 2.614 4.713 112 HA ALA 18 HA ALA 18 -8.728 5.065 3.476 113 HB1 ALA 18 1HB ALA 18 -8.318 3.425 1.962 114 HB2 ALA 18 2HB ALA 18 -9.514 2.330 2.656 115 HB3 ALA 18 3HB ALA 18 -10.033 3.664 1.625 116 H ARG 19 H ARG 19 -10.176 6.632 3.147 117 HA ARG 19 HA ARG 19 -12.777 6.431 4.353 118 HB2 ARG 19 1HB ARG 19 -11.585 8.661 2.694 119 HB3 ARG 19 2HB ARG 19 -13.039 8.769 3.677 120 HG2 ARG 19 1HG ARG 19 -10.348 8.097 4.829 121 HG3 ARG 19 2HG ARG 19 -10.938 9.752 4.664 122 HD2 ARG 19 1HD ARG 19 -12.829 9.265 6.080 123 HD3 ARG 19 2HD ARG 19 -12.378 7.562 6.154 124 HE ARG 19 HE ARG 19 -10.205 8.970 7.103 125 HH11 ARG 19 2HH1 ARG 19 -13.554 8.575 7.967 126 HH12 ARG 19 1HH1 ARG 19 -13.283 8.829 9.659 127 HH21 ARG 19 2HH2 ARG 19 -9.835 9.307 9.329 128 HH22 ARG 19 1HH2 ARG 19 -11.167 9.246 10.432 129 H THR 20 H THR 20 -11.568 6.895 1.041 130 HA THR 20 HA THR 20 -14.259 6.332 0.016 131 HB THR 20 HB THR 20 -13.414 7.141 -2.156 132 HG1 THR 20 1HG THR 20 -11.015 7.597 -0.683 133 HG21 THR 20 1HG2 THR 20 -12.903 9.535 -1.372 134 HG22 THR 20 2HG2 THR 20 -13.126 8.903 0.260 135 HG23 THR 20 3HG2 THR 20 -14.449 8.829 -0.903 136 H ALA 21 H ALA 21 -14.523 4.851 -1.761 137 HA ALA 21 HA ALA 21 -13.432 2.344 -1.363 138 HB1 ALA 21 1HB ALA 21 -14.787 1.674 -3.029 139 HB2 ALA 21 2HB ALA 21 -15.421 3.316 -2.909 140 HB3 ALA 21 3HB ALA 21 -14.219 2.923 -4.138 141 H GLU 22 H GLU 22 -12.486 4.785 -3.772 142 HA GLU 22 HA GLU 22 -10.570 3.406 -5.166 143 HB2 GLU 22 1HB GLU 22 -10.928 6.271 -4.444 144 HB3 GLU 22 2HB GLU 22 -9.381 5.792 -5.127 145 HG2 GLU 22 1HG GLU 22 -10.300 5.220 -7.161 146 HG3 GLU 22 2HG GLU 22 -11.911 4.984 -6.484 147 H ASP 23 H ASP 23 -10.058 5.281 -2.182 148 HA ASP 23 HA ASP 23 -7.331 4.730 -1.891 149 HB2 ASP 23 1HB ASP 23 -9.507 5.533 0.009 150 HB3 ASP 23 2HB ASP 23 -7.916 5.109 0.634 151 H LEU 24 H LEU 24 -6.434 3.451 0.022 152 HA LEU 24 HA LEU 24 -7.826 0.866 0.251 153 HB2 LEU 24 1HB LEU 24 -5.935 0.757 -1.334 154 HB3 LEU 24 2HB LEU 24 -4.854 1.279 -0.044 155 HG LEU 24 HG LEU 24 -5.845 -0.879 1.145 156 HD11 LEU 24 1HD1 LEU 24 -6.715 -1.110 -1.611 157 HD12 LEU 24 2HD1 LEU 24 -7.163 -2.065 -0.198 158 HD13 LEU 24 3HD1 LEU 24 -5.709 -2.470 -1.111 159 HD21 LEU 24 1HD2 LEU 24 -3.746 -1.607 0.936 160 HD22 LEU 24 2HD2 LEU 24 -3.464 -0.168 -0.044 161 HD23 LEU 24 3HD2 LEU 24 -3.864 -1.701 -0.821 162 H SER 25 H SER 25 -7.635 -0.222 2.205 163 HA SER 25 HA SER 25 -6.724 1.449 4.436 164 HB2 SER 25 1HB SER 25 -9.049 0.725 4.564 165 HB3 SER 25 2HB SER 25 -8.558 -0.960 4.394 166 HG SER 25 HG SER 25 -7.981 -1.004 6.428 167 H PHE 26 H PHE 26 -5.647 0.404 6.255 168 HA PHE 26 HA PHE 26 -4.468 -2.175 5.970 169 HB2 PHE 26 1HB PHE 26 -2.097 -1.358 5.866 170 HB3 PHE 26 2HB PHE 26 -3.015 -1.107 4.385 171 HD1 PHE 26 2HD PHE 26 -1.566 0.538 7.335 172 HD2 PHE 26 1HD PHE 26 -3.483 1.081 3.573 173 HE1 PHE 26 2HE PHE 26 -0.991 2.930 7.391 174 HE2 PHE 26 1HE PHE 26 -2.910 3.473 3.623 175 HZ PHE 26 HZ PHE 26 -1.664 4.401 5.534 176 H ARG 27 H ARG 27 -2.685 -2.463 7.699 177 HA ARG 27 HA ARG 27 -3.347 -0.840 10.066 178 HB2 ARG 27 1HB ARG 27 -2.914 -3.833 10.004 179 HB3 ARG 27 2HB ARG 27 -3.216 -2.867 11.442 180 HG2 ARG 27 1HG ARG 27 -5.163 -2.953 9.164 181 HG3 ARG 27 2HG ARG 27 -5.172 -4.161 10.451 182 HD2 ARG 27 1HD ARG 27 -5.183 -1.255 11.140 183 HD3 ARG 27 2HD ARG 27 -6.679 -2.038 10.632 184 HE ARG 27 HE ARG 27 -5.254 -2.438 13.118 185 HH11 ARG 27 2HH1 ARG 27 -7.662 -3.646 10.912 186 HH12 ARG 27 1HH1 ARG 27 -8.464 -4.607 12.109 187 HH21 ARG 27 2HH2 ARG 27 -6.301 -3.700 14.703 188 HH22 ARG 27 1HH2 ARG 27 -7.690 -4.637 14.265 189 H ALA 28 H ALA 28 -1.692 -0.985 11.797 190 HA ALA 28 HA ALA 28 0.851 -0.324 10.836 191 HB1 ALA 28 1HB ALA 28 -0.393 -0.709 13.462 192 HB2 ALA 28 2HB ALA 28 1.348 -0.987 13.424 193 HB3 ALA 28 3HB ALA 28 0.691 0.560 12.891 194 H GLY 29 H GLY 29 2.213 -1.658 9.836 195 HA2 GLY 29 1HA GLY 29 3.863 -3.388 10.048 196 HA3 GLY 29 2HA GLY 29 2.749 -4.270 11.082 197 H ASP 30 H ASP 30 1.677 -2.775 8.124 198 HA ASP 30 HA ASP 30 1.207 -5.456 7.014 199 HB2 ASP 30 1HB ASP 30 -0.247 -2.864 6.844 200 HB3 ASP 30 2HB ASP 30 -0.309 -3.922 5.438 201 H LYS 31 H LYS 31 2.557 -6.100 5.485 202 HA LYS 31 HA LYS 31 4.388 -4.354 4.194 203 HB2 LYS 31 1HB LYS 31 3.642 -7.209 3.535 204 HB3 LYS 31 2HB LYS 31 5.033 -6.348 2.890 205 HG2 LYS 31 1HG LYS 31 4.597 -6.860 5.822 206 HG3 LYS 31 2HG LYS 31 5.540 -7.912 4.764 207 HD2 LYS 31 1HD LYS 31 6.130 -4.976 5.000 208 HD3 LYS 31 2HD LYS 31 6.800 -6.148 6.137 209 HE2 LYS 31 1HE LYS 31 7.468 -7.385 3.893 210 HE3 LYS 31 2HE LYS 31 7.376 -5.747 3.247 211 HZ1 LYS 31 1HZ LYS 31 9.403 -6.928 4.839 212 HZ2 LYS 31 2HZ LYS 31 8.790 -5.550 5.605 213 HZ3 LYS 31 3HZ LYS 31 9.410 -5.440 4.035 214 H LEU 32 H LEU 32 3.896 -2.980 2.625 215 HA LEU 32 HA LEU 32 1.956 -3.825 0.577 216 HB2 LEU 32 1HB LEU 32 2.298 -1.061 1.731 217 HB3 LEU 32 2HB LEU 32 1.233 -1.483 0.391 218 HG LEU 32 HG LEU 32 0.855 -2.854 3.012 219 HD11 LEU 32 1HD1 LEU 32 1.011 -0.593 3.740 220 HD12 LEU 32 2HD1 LEU 32 -0.701 -1.005 3.657 221 HD13 LEU 32 3HD1 LEU 32 0.032 -0.026 2.386 222 HD21 LEU 32 1HD2 LEU 32 -0.960 -3.596 1.978 223 HD22 LEU 32 2HD2 LEU 32 -0.469 -2.732 0.521 224 HD23 LEU 32 3HD2 LEU 32 -1.512 -1.943 1.705 225 H GLN 33 H GLN 33 2.644 -3.690 -1.465 226 HA GLN 33 HA GLN 33 5.290 -2.554 -1.950 227 HB2 GLN 33 1HB GLN 33 4.910 -4.830 -2.724 228 HB3 GLN 33 2HB GLN 33 3.527 -4.303 -3.673 229 HG2 GLN 33 1HG GLN 33 4.919 -3.070 -5.160 230 HG3 GLN 33 2HG GLN 33 6.329 -3.319 -4.131 231 HE21 GLN 33 1HE2 GLN 33 6.487 -3.955 -6.752 232 HE22 GLN 33 2HE2 GLN 33 6.539 -5.670 -6.954 233 H VAL 34 H VAL 34 5.480 -0.569 -2.724 234 HA VAL 34 HA VAL 34 3.255 0.925 -3.686 235 HB VAL 34 HB VAL 34 6.208 1.557 -3.739 236 HG11 VAL 34 1HG1 VAL 34 4.581 3.887 -3.797 237 HG12 VAL 34 2HG1 VAL 34 5.758 3.333 -4.990 238 HG13 VAL 34 3HG1 VAL 34 4.073 2.823 -5.108 239 HG21 VAL 34 1HG2 VAL 34 3.986 2.130 -1.813 240 HG22 VAL 34 2HG2 VAL 34 5.592 1.474 -1.495 241 HG23 VAL 34 3HG2 VAL 34 5.401 3.179 -1.902 242 H LEU 35 H LEU 35 2.453 1.006 -5.673 243 HA LEU 35 HA LEU 35 4.031 -0.111 -7.879 244 HB2 LEU 35 1HB LEU 35 1.114 0.581 -7.982 245 HB3 LEU 35 2HB LEU 35 2.015 -0.537 -9.004 246 HG LEU 35 HG LEU 35 1.707 -1.119 -6.088 247 HD11 LEU 35 1HD1 LEU 35 -0.338 -2.456 -6.760 248 HD12 LEU 35 2HD1 LEU 35 -0.382 -1.466 -8.219 249 HD13 LEU 35 3HD1 LEU 35 -0.544 -0.709 -6.635 250 HD21 LEU 35 1HD2 LEU 35 2.501 -2.520 -8.546 251 HD22 LEU 35 2HD2 LEU 35 1.461 -3.442 -7.460 252 HD23 LEU 35 3HD2 LEU 35 2.991 -2.789 -6.873 253 H ASP 36 H ASP 36 1.749 2.574 -7.318 254 HA ASP 36 HA ASP 36 3.152 4.089 -9.415 255 HB2 ASP 36 1HB ASP 36 0.616 3.581 -9.560 256 HB3 ASP 36 2HB ASP 36 0.450 4.817 -8.316 257 H THR 37 H THR 37 4.169 5.941 -8.931 258 HA THR 37 HA THR 37 3.761 7.088 -6.248 259 HB THR 37 HB THR 37 6.183 7.657 -6.201 260 HG1 THR 37 1HG THR 37 6.074 6.314 -8.660 261 HG21 THR 37 1HG2 THR 37 5.227 4.824 -6.251 262 HG22 THR 37 2HG2 THR 37 5.738 5.811 -4.881 263 HG23 THR 37 3HG2 THR 37 6.939 5.162 -5.997 264 H SER 38 H SER 38 2.559 7.892 -8.746 265 HA SER 38 HA SER 38 3.953 10.222 -9.694 266 HB2 SER 38 1HB SER 38 2.295 8.723 -11.002 267 HB3 SER 38 2HB SER 38 1.038 9.655 -10.188 268 HG SER 38 HG SER 38 3.102 11.062 -11.431 269 H HIS 39 H HIS 39 0.683 9.932 -8.302 270 HA HIS 39 HA HIS 39 0.416 12.616 -7.607 271 HB2 HIS 39 1HB HIS 39 -1.423 10.901 -7.701 272 HB3 HIS 39 2HB HIS 39 -0.857 10.296 -6.147 273 HD1 HIS 39 1HD HIS 39 -0.358 13.055 -4.783 274 HD2 HIS 39 2HD HIS 39 -3.786 12.018 -6.889 275 HE1 HIS 39 1HE HIS 39 -2.166 14.570 -3.911 276 HE2 HIS 39 2HE HIS 39 -4.250 13.866 -5.139 277 H GLU 40 H GLU 40 1.870 13.668 -6.401 278 HA GLU 40 HA GLU 40 3.564 12.630 -4.483 279 HB2 GLU 40 1HB GLU 40 2.412 15.401 -4.785 280 HB3 GLU 40 2HB GLU 40 3.634 15.009 -3.583 281 HG2 GLU 40 1HG GLU 40 5.086 14.204 -5.457 282 HG3 GLU 40 2HG GLU 40 3.894 14.865 -6.574 283 H GLY 41 H GLY 41 3.257 11.795 -2.530 284 HA2 GLY 41 1HA GLY 41 2.429 11.930 -0.292 285 HA3 GLY 41 2HA GLY 41 1.012 12.770 -0.902 286 H TRP 42 H TRP 42 -0.147 11.299 -2.680 287 HA TRP 42 HA TRP 42 -0.810 8.842 -1.249 288 HB2 TRP 42 1HB TRP 42 -2.207 10.230 -3.547 289 HB3 TRP 42 2HB TRP 42 -2.795 8.785 -2.728 290 HD1 TRP 42 HD TRP 42 -2.390 12.555 -2.229 291 HE1 TRP 42 1HE TRP 42 -3.828 13.278 -0.220 292 HE3 TRP 42 3HE TRP 42 -3.805 7.942 -0.539 293 HZ2 TRP 42 2HZ TRP 42 -5.359 12.056 1.812 294 HZ3 TRP 42 3HZ TRP 42 -5.256 7.806 1.443 295 HH2 TRP 42 HH TRP 42 -6.016 9.821 2.593 296 H TRP 43 H TRP 43 -0.070 6.933 -1.881 297 HA TRP 43 HA TRP 43 0.879 6.650 -4.657 298 HB2 TRP 43 1HB TRP 43 1.871 5.300 -2.138 299 HB3 TRP 43 2HB TRP 43 2.406 4.884 -3.764 300 HD1 TRP 43 HD TRP 43 2.356 8.219 -4.477 301 HE1 TRP 43 1HE TRP 43 4.475 9.514 -3.801 302 HE3 TRP 43 3HE TRP 43 4.284 4.908 -1.092 303 HZ2 TRP 43 2HZ TRP 43 6.673 9.176 -2.063 304 HZ3 TRP 43 3HZ TRP 43 6.399 5.470 0.033 305 HH2 TRP 43 HH TRP 43 7.568 7.560 -0.444 306 H LEU 44 H LEU 44 0.590 4.589 -5.674 307 HA LEU 44 HA LEU 44 -1.834 3.233 -4.737 308 HB2 LEU 44 1HB LEU 44 -1.954 4.097 -6.980 309 HB3 LEU 44 2HB LEU 44 -0.462 3.268 -7.419 310 HG LEU 44 HG LEU 44 -1.681 1.099 -7.021 311 HD11 LEU 44 1HD1 LEU 44 -3.812 1.026 -6.366 312 HD12 LEU 44 2HD1 LEU 44 -4.285 2.331 -7.452 313 HD13 LEU 44 3HD1 LEU 44 -3.588 2.705 -5.876 314 HD21 LEU 44 1HD2 LEU 44 -2.870 2.854 -9.164 315 HD22 LEU 44 2HD2 LEU 44 -2.703 1.098 -9.185 316 HD23 LEU 44 3HD2 LEU 44 -1.268 2.121 -9.259 317 H ALA 45 H ALA 45 -1.202 1.696 -3.309 318 HA ALA 45 HA ALA 45 0.823 -0.241 -4.224 319 HB1 ALA 45 1HB ALA 45 1.780 -0.188 -2.216 320 HB2 ALA 45 2HB ALA 45 0.782 1.225 -1.872 321 HB3 ALA 45 3HB ALA 45 0.232 -0.380 -1.394 322 H ARG 46 H ARG 46 0.489 -2.481 -3.424 323 HA ARG 46 HA ARG 46 -2.373 -3.142 -3.196 324 HB2 ARG 46 1HB ARG 46 -2.121 -4.986 -4.674 325 HB3 ARG 46 2HB ARG 46 -1.381 -3.604 -5.471 326 HG2 ARG 46 1HG ARG 46 0.833 -4.423 -4.626 327 HG3 ARG 46 2HG ARG 46 0.005 -5.890 -4.097 328 HD2 ARG 46 1HD ARG 46 -0.244 -4.921 -6.920 329 HD3 ARG 46 2HD ARG 46 1.160 -5.858 -6.413 330 HE ARG 46 HE ARG 46 -1.207 -7.171 -5.620 331 HH11 ARG 46 2HH1 ARG 46 0.671 -6.432 -8.457 332 HH12 ARG 46 1HH1 ARG 46 0.139 -7.829 -9.333 333 HH21 ARG 46 2HH2 ARG 46 -1.915 -9.014 -6.762 334 HH22 ARG 46 1HH2 ARG 46 -1.333 -9.297 -8.368 335 H HIS 47 H HIS 47 -2.909 -4.928 -1.925 336 HA HIS 47 HA HIS 47 -1.307 -5.377 0.334 337 HB2 HIS 47 1HB HIS 47 -3.806 -6.567 -0.764 338 HB3 HIS 47 2HB HIS 47 -2.957 -7.470 0.488 339 HD1 HIS 47 1HD HIS 47 -2.475 -5.994 2.749 340 HD2 HIS 47 2HD HIS 47 -5.469 -4.657 0.199 341 HE1 HIS 47 1HE HIS 47 -3.881 -4.428 4.126 342 HE2 HIS 47 2HE HIS 47 -5.735 -3.698 2.586 343 H LEU 48 H LEU 48 0.255 -6.805 0.789 344 HA LEU 48 HA LEU 48 1.072 -8.646 -1.331 345 HB2 LEU 48 1HB LEU 48 2.495 -7.739 1.166 346 HB3 LEU 48 2HB LEU 48 3.166 -8.841 -0.034 347 HG LEU 48 HG LEU 48 2.382 -5.985 -0.604 348 HD11 LEU 48 1HD1 LEU 48 4.200 -5.972 0.968 349 HD12 LEU 48 2HD1 LEU 48 4.822 -5.566 -0.631 350 HD13 LEU 48 3HD1 LEU 48 5.075 -7.182 0.028 351 HD21 LEU 48 1HD2 LEU 48 4.130 -7.838 -2.206 352 HD22 LEU 48 2HD2 LEU 48 3.477 -6.271 -2.685 353 HD23 LEU 48 3HD2 LEU 48 2.399 -7.655 -2.494 354 H GLU 49 H GLU 49 0.102 -8.599 2.053 355 HA GLU 49 HA GLU 49 0.667 -11.230 2.751 356 HB2 GLU 49 1HB GLU 49 -1.401 -9.260 3.664 357 HB3 GLU 49 2HB GLU 49 -1.423 -10.906 4.280 358 HG2 GLU 49 1HG GLU 49 0.833 -10.642 5.134 359 HG3 GLU 49 2HG GLU 49 0.907 -9.010 4.471 360 H LYS 50 H LYS 50 -0.351 -13.163 2.505 361 HA LYS 50 HA LYS 50 -2.423 -13.276 0.451 362 HB2 LYS 50 1HB LYS 50 -0.508 -14.722 0.120 363 HB3 LYS 50 2HB LYS 50 -0.722 -15.431 1.715 364 HG2 LYS 50 1HG LYS 50 -2.871 -16.370 0.998 365 HG3 LYS 50 2HG LYS 50 -2.621 -15.684 -0.609 366 HD2 LYS 50 1HD LYS 50 -0.798 -17.104 -1.047 367 HD3 LYS 50 2HD LYS 50 -0.627 -17.545 0.654 368 HE2 LYS 50 1HE LYS 50 -2.916 -18.599 0.479 369 HE3 LYS 50 2HE LYS 50 -2.799 -18.362 -1.264 370 HZ1 LYS 50 1HZ LYS 50 -1.320 -20.204 0.465 371 HZ2 LYS 50 2HZ LYS 50 -0.527 -19.589 -0.896 372 HZ3 LYS 50 3HZ LYS 50 -1.967 -20.458 -1.077 373 H LYS 51 H LYS 51 -4.429 -13.060 1.216 374 HA LYS 51 HA LYS 51 -5.460 -15.005 3.058 375 HB2 LYS 51 1HB LYS 51 -6.435 -13.106 4.537 376 HB3 LYS 51 2HB LYS 51 -4.782 -13.639 4.812 377 HG2 LYS 51 1HG LYS 51 -4.266 -11.691 3.091 378 HG3 LYS 51 2HG LYS 51 -5.798 -11.079 3.720 379 HD2 LYS 51 1HD LYS 51 -3.458 -11.904 5.436 380 HD3 LYS 51 2HD LYS 51 -3.797 -10.243 4.945 381 HE2 LYS 51 1HE LYS 51 -5.876 -10.249 6.128 382 HE3 LYS 51 2HE LYS 51 -5.746 -11.977 6.453 383 HZ1 LYS 51 1HZ LYS 51 -3.469 -11.027 7.518 384 HZ2 LYS 51 2HZ LYS 51 -4.891 -11.305 8.390 385 HZ3 LYS 51 3HZ LYS 51 -4.534 -9.750 7.829 386 H GLY 52 H GLY 52 -7.726 -15.128 3.037 387 HA2 GLY 52 1HA GLY 52 -9.116 -13.242 1.258 388 HA3 GLY 52 2HA GLY 52 -9.218 -14.966 0.934 389 H THR 53 H THR 53 -9.439 -12.995 3.895 390 HA THR 53 HA THR 53 -12.140 -14.070 4.321 391 HB THR 53 HB THR 53 -9.988 -13.955 6.443 392 HG1 THR 53 1HG THR 53 -9.935 -15.739 4.865 393 HG21 THR 53 1HG2 THR 53 -12.879 -14.040 6.595 394 HG22 THR 53 2HG2 THR 53 -11.691 -13.835 7.883 395 HG23 THR 53 3HG2 THR 53 -12.150 -15.454 7.354 396 H GLY 54 H GLY 54 -13.576 -12.697 5.322 397 HA2 GLY 54 1HA GLY 54 -14.240 -10.781 6.519 398 HA3 GLY 54 2HA GLY 54 -12.600 -10.163 6.395 399 H LEU 55 H LEU 55 -14.131 -8.236 5.912 400 HA LEU 55 HA LEU 55 -15.398 -8.047 3.404 401 HB2 LEU 55 1HB LEU 55 -15.576 -6.535 5.491 402 HB3 LEU 55 2HB LEU 55 -14.182 -5.697 4.810 403 HG LEU 55 HG LEU 55 -15.562 -5.317 2.737 404 HD11 LEU 55 1HD1 LEU 55 -18.016 -5.453 3.037 405 HD12 LEU 55 2HD1 LEU 55 -17.751 -6.326 4.546 406 HD13 LEU 55 3HD1 LEU 55 -17.225 -7.029 3.016 407 HD21 LEU 55 1HD2 LEU 55 -15.981 -4.102 5.398 408 HD22 LEU 55 2HD2 LEU 55 -17.152 -3.686 4.147 409 HD23 LEU 55 3HD2 LEU 55 -15.435 -3.373 3.888 410 H GLY 56 H GLY 56 -14.255 -8.549 1.615 411 HA2 GLY 56 1HA GLY 56 -11.723 -7.082 1.191 412 HA3 GLY 56 2HA GLY 56 -12.013 -8.704 0.578 413 H GLN 57 H GLN 57 -12.868 -5.314 0.239 414 HA GLN 57 HA GLN 57 -14.331 -5.838 -2.221 415 HB2 GLN 57 1HB GLN 57 -13.790 -3.310 -0.664 416 HB3 GLN 57 2HB GLN 57 -14.639 -3.330 -2.204 417 HG2 GLN 57 1HG GLN 57 -15.512 -4.788 0.280 418 HG3 GLN 57 2HG GLN 57 -16.160 -3.248 -0.284 419 HE21 GLN 57 1HE2 GLN 57 -17.020 -3.292 -2.551 420 HE22 GLN 57 2HE2 GLN 57 -17.929 -4.684 -3.020 421 H GLN 58 H GLN 58 -11.366 -4.235 -1.150 422 HA GLN 58 HA GLN 58 -10.385 -4.375 -3.913 423 HB2 GLN 58 1HB GLN 58 -11.140 -2.052 -3.379 424 HB3 GLN 58 2HB GLN 58 -9.948 -2.007 -2.088 425 HG2 GLN 58 1HG GLN 58 -8.975 -0.889 -3.908 426 HG3 GLN 58 2HG GLN 58 -8.203 -2.473 -3.845 427 HE21 GLN 58 1HE2 GLN 58 -8.086 -0.981 -6.119 428 HE22 GLN 58 2HE2 GLN 58 -9.051 -1.709 -7.353 429 H LEU 59 H LEU 59 -8.125 -4.593 -4.134 430 HA LEU 59 HA LEU 59 -6.797 -5.542 -1.685 431 HB2 LEU 59 1HB LEU 59 -5.323 -6.810 -3.234 432 HB3 LEU 59 2HB LEU 59 -7.015 -7.300 -3.274 433 HG LEU 59 HG LEU 59 -5.961 -5.373 -5.308 434 HD11 LEU 59 1HD1 LEU 59 -4.901 -6.931 -6.541 435 HD12 LEU 59 2HD1 LEU 59 -5.983 -8.227 -6.034 436 HD13 LEU 59 3HD1 LEU 59 -4.669 -7.711 -4.976 437 HD21 LEU 59 1HD2 LEU 59 -8.381 -6.903 -4.828 438 HD22 LEU 59 2HD2 LEU 59 -7.735 -7.157 -6.449 439 HD23 LEU 59 3HD2 LEU 59 -8.106 -5.525 -5.894 440 H GLN 60 H GLN 60 -6.577 -3.356 -4.379 441 HA GLN 60 HA GLN 60 -4.187 -2.168 -3.162 442 HB2 GLN 60 1HB GLN 60 -2.999 -2.033 -5.159 443 HB3 GLN 60 2HB GLN 60 -3.721 -3.634 -5.244 444 HG2 GLN 60 1HG GLN 60 -5.516 -2.724 -6.659 445 HG3 GLN 60 2HG GLN 60 -4.724 -1.150 -6.615 446 HE21 GLN 60 1HE2 GLN 60 -4.066 -0.875 -8.648 447 HE22 GLN 60 2HE2 GLN 60 -3.044 -1.962 -9.518 448 H GLY 61 H GLY 61 -4.186 0.020 -3.077 449 HA2 GLY 61 1HA GLY 61 -5.875 1.602 -4.802 450 HA3 GLY 61 2HA GLY 61 -6.440 1.526 -3.139 451 H TYR 62 H TYR 62 -6.099 3.897 -3.332 452 HA TYR 62 HA TYR 62 -3.367 4.832 -3.371 453 HB2 TYR 62 1HB TYR 62 -6.005 6.232 -2.920 454 HB3 TYR 62 2HB TYR 62 -4.452 7.060 -2.873 455 HD1 TYR 62 2HD TYR 62 -2.935 6.222 -5.062 456 HD2 TYR 62 1HD TYR 62 -7.166 6.627 -4.864 457 HE1 TYR 62 2HE TYR 62 -3.015 6.518 -7.502 458 HE2 TYR 62 1HE TYR 62 -7.257 6.924 -7.304 459 HH TYR 62 HH TYR 62 -5.002 6.066 -9.346 460 H ILE 63 H ILE 63 -2.106 5.296 -1.669 461 HA ILE 63 HA ILE 63 -3.289 5.466 1.000 462 HB ILE 63 HB ILE 63 -1.693 3.935 1.975 463 HG12 ILE 63 1HG1 ILE 63 -0.760 3.191 -0.792 464 HG13 ILE 63 2HG1 ILE 63 0.057 4.425 0.160 465 HG21 ILE 63 1HG2 ILE 63 -3.341 2.903 -0.303 466 HG22 ILE 63 2HG2 ILE 63 -2.409 1.806 0.715 467 HG23 ILE 63 3HG2 ILE 63 -3.662 2.821 1.429 468 HD11 ILE 63 1HD1 ILE 63 1.279 2.784 1.007 469 HD12 ILE 63 2HD1 ILE 63 -0.164 2.276 1.886 470 HD13 ILE 63 3HD1 ILE 63 0.220 1.549 0.326 471 HA PRO 64 HA PRO 64 -0.420 8.773 1.450 472 HB2 PRO 64 1HB PRO 64 -0.318 8.895 4.161 473 HB3 PRO 64 2HB PRO 64 -1.710 9.453 3.226 474 HG2 PRO 64 1HG PRO 64 -1.315 6.863 4.674 475 HG3 PRO 64 2HG PRO 64 -2.749 7.904 4.616 476 HD2 PRO 64 1HD PRO 64 -2.513 5.666 3.111 477 HD3 PRO 64 2HD PRO 64 -3.408 7.097 2.560 478 H SER 65 H SER 65 1.740 8.926 1.421 479 HA SER 65 HA SER 65 3.349 6.640 2.035 480 HB2 SER 65 1HB SER 65 5.236 8.055 1.292 481 HB3 SER 65 2HB SER 65 3.904 8.077 0.136 482 HG SER 65 HG SER 65 5.018 10.157 1.015 483 H ASN 66 H ASN 66 2.467 9.559 3.677 484 HA ASN 66 HA ASN 66 4.609 9.640 5.534 485 HB2 ASN 66 1HB ASN 66 1.835 10.688 6.073 486 HB3 ASN 66 2HB ASN 66 3.372 11.307 6.669 487 HD21 ASN 66 1HD2 ASN 66 4.474 12.769 5.490 488 HD22 ASN 66 2HD2 ASN 66 3.938 13.398 3.973 489 H TYR 67 H TYR 67 2.093 7.465 5.160 490 HA TYR 67 HA TYR 67 1.956 6.794 8.006 491 HB2 TYR 67 1HB TYR 67 0.296 6.106 5.610 492 HB3 TYR 67 2HB TYR 67 0.255 5.053 7.020 493 HD1 TYR 67 1HD TYR 67 0.327 8.769 6.591 494 HD2 TYR 67 2HD TYR 67 -1.682 5.391 8.222 495 HE1 TYR 67 1HE TYR 67 -1.313 10.264 7.652 496 HE2 TYR 67 2HE TYR 67 -3.328 6.877 9.286 497 HH TYR 67 HH TYR 67 -3.357 9.327 10.073 498 H VAL 68 H VAL 68 3.304 5.709 5.011 499 HA VAL 68 HA VAL 68 4.197 3.211 6.294 500 HB VAL 68 HB VAL 68 4.542 2.286 4.082 501 HG11 VAL 68 1HG1 VAL 68 2.233 2.367 5.218 502 HG12 VAL 68 2HG1 VAL 68 1.825 3.546 3.969 503 HG13 VAL 68 3HG1 VAL 68 2.314 1.913 3.516 504 HG21 VAL 68 1HG2 VAL 68 5.167 4.463 3.018 505 HG22 VAL 68 2HG2 VAL 68 4.073 3.467 2.059 506 HG23 VAL 68 3HG2 VAL 68 3.449 4.855 2.949 507 H ALA 69 H ALA 69 6.349 2.447 5.127 508 HA ALA 69 HA ALA 69 8.194 4.582 4.531 509 HB1 ALA 69 1HB ALA 69 9.463 4.614 6.413 510 HB2 ALA 69 2HB ALA 69 7.912 4.209 7.150 511 HB3 ALA 69 3HB ALA 69 9.093 2.940 6.827 512 H GLU 70 H GLU 70 10.494 3.628 4.319 513 HA GLU 70 HA GLU 70 10.276 1.317 2.611 514 HB2 GLU 70 1HB GLU 70 11.752 3.415 2.262 515 HB3 GLU 70 2HB GLU 70 12.858 2.642 3.388 516 HG2 GLU 70 1HG GLU 70 12.751 0.620 1.840 517 HG3 GLU 70 2HG GLU 70 12.004 1.708 0.672 518 H ASP 71 H ASP 71 10.162 -0.629 3.524 519 HA ASP 71 HA ASP 71 11.660 -1.181 5.971 520 HB2 ASP 71 1HB ASP 71 9.153 -1.836 5.422 521 HB3 ASP 71 2HB ASP 71 9.922 -3.225 4.659 522 H SER 72 H SER 72 12.816 -3.268 6.142 523 HA SER 72 HA SER 72 14.329 -3.767 3.675 524 HB2 SER 72 1HB SER 72 15.581 -3.013 5.706 525 HB3 SER 72 2HB SER 72 15.081 -4.498 6.515 526 HG SER 72 HG SER 72 17.220 -4.307 5.236 527 H GLY 73 H GLY 73 13.638 -5.469 2.559 528 HA2 GLY 73 1HA GLY 73 12.753 -7.851 4.069 529 HA3 GLY 73 2HA GLY 73 12.086 -7.382 2.512 530 HA PRO 74 HA PRO 74 14.929 -10.073 0.537 531 HB2 PRO 74 1HB PRO 74 15.162 -8.857 -1.878 532 HB3 PRO 74 2HB PRO 74 13.712 -9.737 -1.382 533 HG2 PRO 74 1HG PRO 74 14.240 -6.791 -1.358 534 HG3 PRO 74 2HG PRO 74 12.781 -7.662 -1.864 535 HD2 PRO 74 1HD PRO 74 12.995 -6.460 0.553 536 HD3 PRO 74 2HD PRO 74 12.040 -7.935 0.301 537 H SER 75 H SER 75 15.767 -7.070 1.610 538 HA SER 75 HA SER 75 18.199 -6.564 0.263 539 HB2 SER 75 1HB SER 75 16.763 -5.060 1.883 540 HB3 SER 75 2HB SER 75 17.814 -5.750 3.119 541 HG SER 75 HG SER 75 18.410 -3.993 1.046 542 H SER 76 H SER 76 20.281 -7.152 0.692 543 HA SER 76 HA SER 76 20.985 -9.595 1.537 544 HB2 SER 76 1HB SER 76 22.535 -7.878 0.569 545 HB3 SER 76 2HB SER 76 22.656 -7.153 2.171 546 HG SER 76 HG SER 76 24.362 -8.596 1.837 547 H GLY 77 H GLY 77 21.119 -10.737 3.373 548 HA2 GLY 77 1HA GLY 77 21.233 -11.213 5.632 549 HA3 GLY 77 2HA GLY 77 21.497 -9.503 5.938 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.504 0.806 -15.008 2 HA2 GLY 1 1HA GLY 1 3.283 -1.191 -15.104 3 HA3 GLY 1 2HA GLY 1 3.355 0.025 -13.837 4 H SER 2 H SER 2 3.646 -3.111 -14.214 5 HA SER 2 HA SER 2 2.497 -3.698 -11.577 6 HB2 SER 2 1HB SER 2 2.189 -5.374 -14.073 7 HB3 SER 2 2HB SER 2 1.892 -5.996 -12.450 8 HG SER 2 HG SER 2 0.501 -3.889 -12.433 9 H SER 3 H SER 3 3.337 -5.999 -10.888 10 HA SER 3 HA SER 3 5.998 -5.856 -10.321 11 HB2 SER 3 1HB SER 3 4.296 -7.497 -9.389 12 HB3 SER 3 2HB SER 3 4.607 -8.494 -10.809 13 HG SER 3 HG SER 3 6.018 -9.241 -9.340 14 H GLY 4 H GLY 4 7.912 -6.480 -11.233 15 HA2 GLY 4 1HA GLY 4 8.627 -8.185 -13.129 16 HA3 GLY 4 2HA GLY 4 7.840 -6.959 -14.112 17 H SER 5 H SER 5 8.669 -4.709 -13.845 18 HA SER 5 HA SER 5 11.483 -4.688 -14.214 19 HB2 SER 5 1HB SER 5 9.695 -3.103 -15.214 20 HB3 SER 5 2HB SER 5 9.851 -2.213 -13.700 21 HG SER 5 HG SER 5 11.342 -1.296 -14.976 22 H SER 6 H SER 6 9.392 -3.363 -11.658 23 HA SER 6 HA SER 6 11.629 -3.607 -9.785 24 HB2 SER 6 1HB SER 6 10.168 -1.087 -10.485 25 HB3 SER 6 2HB SER 6 10.748 -1.316 -8.835 26 HG SER 6 HG SER 6 12.837 -1.550 -9.647 27 H GLY 7 H GLY 7 10.799 -3.097 -7.475 28 HA2 GLY 7 1HA GLY 7 8.006 -3.568 -6.988 29 HA3 GLY 7 2HA GLY 7 8.998 -4.983 -6.669 30 H GLN 8 H GLN 8 8.663 -1.546 -5.858 31 HA GLN 8 HA GLN 8 10.324 -1.763 -3.531 32 HB2 GLN 8 1HB GLN 8 8.504 0.402 -4.573 33 HB3 GLN 8 2HB GLN 8 9.374 0.552 -3.052 34 HG2 GLN 8 1HG GLN 8 11.404 0.767 -4.068 35 HG3 GLN 8 2HG GLN 8 10.915 -0.156 -5.488 36 HE21 GLN 8 1HE2 GLN 8 10.915 2.950 -3.944 37 HE22 GLN 8 2HE2 GLN 8 10.422 3.865 -5.324 38 H TYR 9 H TYR 9 9.754 -2.484 -1.595 39 HA TYR 9 HA TYR 9 6.891 -2.779 -0.997 40 HB2 TYR 9 1HB TYR 9 9.182 -4.141 0.420 41 HB3 TYR 9 2HB TYR 9 7.473 -4.555 0.493 42 HD1 TYR 9 2HD TYR 9 6.408 -5.137 -1.880 43 HD2 TYR 9 1HD TYR 9 10.545 -5.424 -0.928 44 HE1 TYR 9 2HE TYR 9 6.715 -6.740 -3.720 45 HE2 TYR 9 1HE TYR 9 10.863 -7.027 -2.766 46 HH TYR 9 HH TYR 9 8.346 -7.693 -5.078 47 H PHE 10 H PHE 10 5.991 -1.873 0.783 48 HA PHE 10 HA PHE 10 7.763 -0.312 2.544 49 HB2 PHE 10 1HB PHE 10 5.151 0.466 1.271 50 HB3 PHE 10 2HB PHE 10 5.711 1.248 2.745 51 HD1 PHE 10 1HD PHE 10 6.943 0.369 -0.663 52 HD2 PHE 10 2HD PHE 10 6.971 3.158 2.552 53 HE1 PHE 10 1HE PHE 10 8.322 1.900 -2.008 54 HE2 PHE 10 2HE PHE 10 8.349 4.694 1.213 55 HZ PHE 10 HZ PHE 10 9.026 4.066 -1.070 56 H VAL 11 H VAL 11 6.909 0.092 4.700 57 HA VAL 11 HA VAL 11 5.101 -2.062 5.586 58 HB VAL 11 HB VAL 11 7.458 -2.286 6.374 59 HG11 VAL 11 1HG1 VAL 11 7.074 -0.094 8.324 60 HG12 VAL 11 2HG1 VAL 11 8.551 -0.701 7.572 61 HG13 VAL 11 3HG1 VAL 11 7.476 0.370 6.671 62 HG21 VAL 11 1HG2 VAL 11 5.133 -2.009 8.214 63 HG22 VAL 11 2HG2 VAL 11 6.034 -3.450 7.744 64 HG23 VAL 11 3HG2 VAL 11 6.727 -2.315 8.902 65 H ALA 12 H ALA 12 3.358 -1.541 6.780 66 HA ALA 12 HA ALA 12 2.602 1.214 6.986 67 HB1 ALA 12 1HB ALA 12 0.929 -0.453 6.479 68 HB2 ALA 12 2HB ALA 12 1.251 -1.283 8.002 69 HB3 ALA 12 3HB ALA 12 0.539 0.330 8.011 70 H LEU 13 H LEU 13 3.444 2.492 8.498 71 HA LEU 13 HA LEU 13 4.526 1.523 10.948 72 HB2 LEU 13 1HB LEU 13 3.828 4.359 10.211 73 HB3 LEU 13 2HB LEU 13 4.933 3.840 11.482 74 HG LEU 13 HG LEU 13 5.521 3.073 8.660 75 HD11 LEU 13 1HD1 LEU 13 6.236 5.760 9.816 76 HD12 LEU 13 2HD1 LEU 13 4.939 5.498 8.650 77 HD13 LEU 13 3HD1 LEU 13 6.609 5.148 8.204 78 HD21 LEU 13 1HD2 LEU 13 7.421 2.405 9.586 79 HD22 LEU 13 2HD2 LEU 13 6.795 2.873 11.168 80 HD23 LEU 13 3HD2 LEU 13 7.722 4.027 10.209 81 H PHE 14 H PHE 14 1.403 2.557 9.944 82 HA PHE 14 HA PHE 14 0.366 2.038 12.609 83 HB2 PHE 14 1HB PHE 14 -0.606 4.540 11.288 84 HB3 PHE 14 2HB PHE 14 -0.618 4.100 12.993 85 HD1 PHE 14 2HD PHE 14 1.378 5.469 10.252 86 HD2 PHE 14 1HD PHE 14 1.313 4.465 14.387 87 HE1 PHE 14 2HE PHE 14 3.424 6.789 10.601 88 HE2 PHE 14 1HE PHE 14 3.358 5.785 14.743 89 HZ PHE 14 HZ PHE 14 4.417 6.948 12.849 90 H ASP 15 H ASP 15 -2.146 2.297 12.522 91 HA ASP 15 HA ASP 15 -3.023 0.772 10.195 92 HB2 ASP 15 1HB ASP 15 -5.164 0.577 11.608 93 HB3 ASP 15 2HB ASP 15 -3.724 -0.252 12.191 94 H TYR 16 H TYR 16 -4.457 1.482 8.708 95 HA TYR 16 HA TYR 16 -5.627 4.155 9.104 96 HB2 TYR 16 1HB TYR 16 -3.856 4.525 7.574 97 HB3 TYR 16 2HB TYR 16 -4.218 3.054 6.677 98 HD1 TYR 16 2HD TYR 16 -5.593 6.411 7.502 99 HD2 TYR 16 1HD TYR 16 -5.599 3.131 4.792 100 HE1 TYR 16 2HE TYR 16 -6.977 7.712 5.940 101 HE2 TYR 16 1HE TYR 16 -6.982 4.424 3.222 102 HH TYR 16 HH TYR 16 -7.300 7.150 2.864 103 H GLN 17 H GLN 17 -7.598 4.560 7.968 104 HA GLN 17 HA GLN 17 -9.008 2.120 7.111 105 HB2 GLN 17 1HB GLN 17 -10.056 4.392 8.803 106 HB3 GLN 17 2HB GLN 17 -11.082 3.161 8.077 107 HG2 GLN 17 1HG GLN 17 -10.812 2.280 10.155 108 HG3 GLN 17 2HG GLN 17 -9.451 1.527 9.326 109 HE21 GLN 17 1HE2 GLN 17 -9.384 1.664 12.006 110 HE22 GLN 17 2HE2 GLN 17 -8.226 2.833 12.532 111 H ALA 18 H ALA 18 -9.258 2.298 4.980 112 HA ALA 18 HA ALA 18 -9.059 4.341 3.283 113 HB1 ALA 18 1HB ALA 18 -9.899 2.929 1.779 114 HB2 ALA 18 2HB ALA 18 -10.148 1.808 3.119 115 HB3 ALA 18 3HB ALA 18 -11.461 2.864 2.596 116 H ARG 19 H ARG 19 -9.843 6.331 3.189 117 HA ARG 19 HA ARG 19 -12.186 7.090 4.673 118 HB2 ARG 19 1HB ARG 19 -10.307 8.618 2.873 119 HB3 ARG 19 2HB ARG 19 -11.700 9.360 3.649 120 HG2 ARG 19 1HG ARG 19 -10.677 8.442 5.836 121 HG3 ARG 19 2HG ARG 19 -9.198 8.296 4.886 122 HD2 ARG 19 1HD ARG 19 -9.091 10.410 5.931 123 HD3 ARG 19 2HD ARG 19 -9.522 10.721 4.250 124 HE ARG 19 HE ARG 19 -11.814 10.493 5.941 125 HH11 ARG 19 2HH1 ARG 19 -9.301 12.652 4.872 126 HH12 ARG 19 1HH1 ARG 19 -10.223 14.086 5.179 127 HH21 ARG 19 2HH2 ARG 19 -13.038 12.374 6.349 128 HH22 ARG 19 1HH2 ARG 19 -12.348 13.927 6.019 129 H THR 20 H THR 20 -11.305 6.855 1.249 130 HA THR 20 HA THR 20 -14.174 7.028 0.589 131 HB THR 20 HB THR 20 -13.469 7.937 -1.639 132 HG1 THR 20 1HG THR 20 -11.153 7.206 -1.111 133 HG21 THR 20 1HG2 THR 20 -13.202 9.355 0.947 134 HG22 THR 20 2HG2 THR 20 -14.276 9.674 -0.415 135 HG23 THR 20 3HG2 THR 20 -12.592 10.191 -0.481 136 H ALA 21 H ALA 21 -14.663 6.005 -1.585 137 HA ALA 21 HA ALA 21 -13.997 3.289 -1.529 138 HB1 ALA 21 1HB ALA 21 -15.984 3.670 -2.605 139 HB2 ALA 21 2HB ALA 21 -15.364 5.063 -3.492 140 HB3 ALA 21 3HB ALA 21 -14.911 3.431 -3.985 141 H GLU 22 H GLU 22 -12.358 5.979 -2.920 142 HA GLU 22 HA GLU 22 -10.719 4.276 -4.637 143 HB2 GLU 22 1HB GLU 22 -11.096 7.236 -4.362 144 HB3 GLU 22 2HB GLU 22 -9.645 6.610 -5.131 145 HG2 GLU 22 1HG GLU 22 -11.278 5.252 -6.592 146 HG3 GLU 22 2HG GLU 22 -12.489 6.400 -6.023 147 H ASP 23 H ASP 23 -10.324 3.589 -2.068 148 HA ASP 23 HA ASP 23 -7.548 4.311 -1.672 149 HB2 ASP 23 1HB ASP 23 -9.704 5.000 0.310 150 HB3 ASP 23 2HB ASP 23 -8.046 4.711 0.831 151 H LEU 24 H LEU 24 -6.559 2.989 0.107 152 HA LEU 24 HA LEU 24 -7.896 0.369 0.276 153 HB2 LEU 24 1HB LEU 24 -5.774 0.603 -1.135 154 HB3 LEU 24 2HB LEU 24 -4.926 0.784 0.399 155 HG LEU 24 HG LEU 24 -5.801 -1.462 1.061 156 HD11 LEU 24 1HD1 LEU 24 -6.979 -1.255 -1.661 157 HD12 LEU 24 2HD1 LEU 24 -7.645 -1.963 -0.190 158 HD13 LEU 24 3HD1 LEU 24 -6.410 -2.830 -1.105 159 HD21 LEU 24 1HD2 LEU 24 -3.643 -1.720 0.439 160 HD22 LEU 24 2HD2 LEU 24 -3.877 -0.918 -1.114 161 HD23 LEU 24 3HD2 LEU 24 -4.374 -2.598 -0.905 162 H SER 25 H SER 25 -7.418 -0.913 2.180 163 HA SER 25 HA SER 25 -6.835 0.771 4.528 164 HB2 SER 25 1HB SER 25 -8.456 -0.378 5.771 165 HB3 SER 25 2HB SER 25 -9.210 -0.219 4.186 166 HG SER 25 HG SER 25 -9.378 -2.306 4.264 167 H PHE 26 H PHE 26 -5.494 -0.012 6.121 168 HA PHE 26 HA PHE 26 -4.452 -2.701 5.997 169 HB2 PHE 26 1HB PHE 26 -2.075 -1.927 5.824 170 HB3 PHE 26 2HB PHE 26 -3.011 -1.704 4.350 171 HD1 PHE 26 1HD PHE 26 -3.824 0.566 3.745 172 HD2 PHE 26 2HD PHE 26 -1.117 -0.097 6.963 173 HE1 PHE 26 1HE PHE 26 -3.209 2.949 3.715 174 HE2 PHE 26 2HE PHE 26 -0.499 2.285 6.938 175 HZ PHE 26 HZ PHE 26 -1.546 3.811 5.314 176 H ARG 27 H ARG 27 -2.833 -3.083 7.762 177 HA ARG 27 HA ARG 27 -3.384 -1.318 10.057 178 HB2 ARG 27 1HB ARG 27 -2.992 -4.316 10.092 179 HB3 ARG 27 2HB ARG 27 -3.278 -3.300 11.498 180 HG2 ARG 27 1HG ARG 27 -5.443 -2.622 10.205 181 HG3 ARG 27 2HG ARG 27 -5.164 -4.141 9.353 182 HD2 ARG 27 1HD ARG 27 -5.174 -3.982 12.351 183 HD3 ARG 27 2HD ARG 27 -6.662 -4.193 11.428 184 HE ARG 27 HE ARG 27 -4.620 -6.089 10.743 185 HH11 ARG 27 2HH1 ARG 27 -7.215 -5.365 12.949 186 HH12 ARG 27 1HH1 ARG 27 -7.501 -7.024 13.360 187 HH21 ARG 27 2HH2 ARG 27 -4.988 -8.276 11.277 188 HH22 ARG 27 1HH2 ARG 27 -6.233 -8.678 12.410 189 H ALA 28 H ALA 28 -1.723 -1.285 11.725 190 HA ALA 28 HA ALA 28 0.802 -0.691 10.791 191 HB1 ALA 28 1HB ALA 28 -0.266 -0.194 13.073 192 HB2 ALA 28 2HB ALA 28 0.390 -1.757 13.563 193 HB3 ALA 28 3HB ALA 28 1.474 -0.479 13.013 194 H GLY 29 H GLY 29 2.236 -1.954 9.812 195 HA2 GLY 29 1HA GLY 29 3.884 -3.690 9.984 196 HA3 GLY 29 2HA GLY 29 2.742 -4.626 10.938 197 H ASP 30 H ASP 30 1.000 -3.312 8.488 198 HA ASP 30 HA ASP 30 0.857 -5.824 7.088 199 HB2 ASP 30 1HB ASP 30 -0.606 -3.209 6.894 200 HB3 ASP 30 2HB ASP 30 -0.781 -4.421 5.628 201 H LYS 31 H LYS 31 2.380 -6.340 5.663 202 HA LYS 31 HA LYS 31 4.063 -4.497 4.356 203 HB2 LYS 31 1HB LYS 31 3.443 -7.358 3.597 204 HB3 LYS 31 2HB LYS 31 4.814 -6.417 3.023 205 HG2 LYS 31 1HG LYS 31 4.439 -6.787 5.955 206 HG3 LYS 31 2HG LYS 31 5.083 -8.116 4.989 207 HD2 LYS 31 1HD LYS 31 6.266 -5.412 4.622 208 HD3 LYS 31 2HD LYS 31 6.663 -6.301 6.094 209 HE2 LYS 31 1HE LYS 31 8.337 -7.008 4.689 210 HE3 LYS 31 2HE LYS 31 7.126 -8.262 4.424 211 HZ1 LYS 31 1HZ LYS 31 8.295 -6.642 2.519 212 HZ2 LYS 31 2HZ LYS 31 6.704 -6.087 2.660 213 HZ3 LYS 31 3HZ LYS 31 7.004 -7.712 2.296 214 H LEU 32 H LEU 32 3.625 -3.185 2.721 215 HA LEU 32 HA LEU 32 1.645 -4.034 0.716 216 HB2 LEU 32 1HB LEU 32 1.946 -1.294 1.934 217 HB3 LEU 32 2HB LEU 32 0.935 -1.661 0.539 218 HG LEU 32 HG LEU 32 0.454 -3.148 3.075 219 HD11 LEU 32 1HD1 LEU 32 0.700 -0.733 3.678 220 HD12 LEU 32 2HD1 LEU 32 -0.896 -1.414 3.993 221 HD13 LEU 32 3HD1 LEU 32 -0.639 -0.386 2.583 222 HD21 LEU 32 1HD2 LEU 32 -1.262 -2.122 0.820 223 HD22 LEU 32 2HD2 LEU 32 -1.890 -2.933 2.255 224 HD23 LEU 32 3HD2 LEU 32 -0.816 -3.796 1.152 225 H GLN 33 H GLN 33 2.203 -3.718 -1.371 226 HA GLN 33 HA GLN 33 4.884 -2.676 -1.877 227 HB2 GLN 33 1HB GLN 33 4.252 -4.914 -2.747 228 HB3 GLN 33 2HB GLN 33 3.016 -4.152 -3.740 229 HG2 GLN 33 1HG GLN 33 5.960 -3.563 -3.939 230 HG3 GLN 33 2HG GLN 33 5.095 -4.709 -4.962 231 HE21 GLN 33 1HE2 GLN 33 6.523 -2.424 -5.849 232 HE22 GLN 33 2HE2 GLN 33 5.392 -1.361 -6.608 233 H VAL 34 H VAL 34 5.301 -0.880 -3.040 234 HA VAL 34 HA VAL 34 3.024 0.800 -3.754 235 HB VAL 34 HB VAL 34 5.974 1.445 -3.655 236 HG11 VAL 34 1HG1 VAL 34 5.301 3.771 -3.904 237 HG12 VAL 34 2HG1 VAL 34 4.774 2.818 -5.293 238 HG13 VAL 34 3HG1 VAL 34 3.613 3.281 -4.048 239 HG21 VAL 34 1HG2 VAL 34 5.378 2.733 -1.647 240 HG22 VAL 34 2HG2 VAL 34 3.723 2.134 -1.767 241 HG23 VAL 34 3HG2 VAL 34 5.047 1.012 -1.452 242 H LEU 35 H LEU 35 2.237 0.436 -5.732 243 HA LEU 35 HA LEU 35 3.930 -0.417 -7.908 244 HB2 LEU 35 1HB LEU 35 1.024 0.373 -7.979 245 HB3 LEU 35 2HB LEU 35 1.904 -0.540 -9.203 246 HG LEU 35 HG LEU 35 1.606 -1.618 -6.424 247 HD11 LEU 35 1HD1 LEU 35 -0.551 -2.112 -6.653 248 HD12 LEU 35 2HD1 LEU 35 -0.329 -2.657 -8.315 249 HD13 LEU 35 3HD1 LEU 35 -0.582 -0.945 -7.975 250 HD21 LEU 35 1HD2 LEU 35 2.494 -2.569 -9.056 251 HD22 LEU 35 2HD2 LEU 35 1.451 -3.684 -8.174 252 HD23 LEU 35 3HD2 LEU 35 2.947 -3.107 -7.439 253 H ASP 36 H ASP 36 1.698 2.334 -7.471 254 HA ASP 36 HA ASP 36 3.377 3.868 -9.342 255 HB2 ASP 36 1HB ASP 36 0.804 3.365 -9.727 256 HB3 ASP 36 2HB ASP 36 0.608 4.742 -8.646 257 H THR 37 H THR 37 4.061 5.917 -8.807 258 HA THR 37 HA THR 37 3.452 6.854 -6.084 259 HB THR 37 HB THR 37 5.855 7.676 -5.985 260 HG1 THR 37 1HG THR 37 7.189 7.112 -7.543 261 HG21 THR 37 1HG2 THR 37 6.658 5.643 -5.058 262 HG22 THR 37 2HG2 THR 37 5.606 4.675 -6.092 263 HG23 THR 37 3HG2 THR 37 4.914 5.649 -4.795 264 H SER 38 H SER 38 2.615 7.596 -8.904 265 HA SER 38 HA SER 38 3.711 9.949 -9.805 266 HB2 SER 38 1HB SER 38 1.838 8.649 -10.880 267 HB3 SER 38 2HB SER 38 0.737 9.399 -9.725 268 HG SER 38 HG SER 38 1.433 11.441 -10.566 269 H HIS 39 H HIS 39 0.888 9.750 -7.629 270 HA HIS 39 HA HIS 39 1.261 12.524 -6.859 271 HB2 HIS 39 1HB HIS 39 -1.004 11.431 -7.290 272 HB3 HIS 39 2HB HIS 39 -0.785 10.604 -5.750 273 HD1 HIS 39 1HD HIS 39 0.583 13.957 -5.591 274 HD2 HIS 39 2HD HIS 39 -3.162 12.223 -5.115 275 HE1 HIS 39 1HE HIS 39 -0.799 15.666 -4.369 276 HE2 HIS 39 2HE HIS 39 -3.035 14.561 -4.017 277 H GLU 40 H GLU 40 3.181 12.508 -5.687 278 HA GLU 40 HA GLU 40 4.212 10.874 -3.854 279 HB2 GLU 40 1HB GLU 40 5.151 13.086 -4.393 280 HB3 GLU 40 2HB GLU 40 3.899 13.851 -3.424 281 HG2 GLU 40 1HG GLU 40 5.581 13.837 -1.907 282 HG3 GLU 40 2HG GLU 40 4.873 12.262 -1.554 283 H GLY 41 H GLY 41 1.446 12.999 -3.253 284 HA2 GLY 41 1HA GLY 41 1.164 12.475 -0.504 285 HA3 GLY 41 2HA GLY 41 -0.118 13.023 -1.575 286 H TRP 42 H TRP 42 -0.519 10.990 -3.273 287 HA TRP 42 HA TRP 42 -1.230 8.748 -1.496 288 HB2 TRP 42 1HB TRP 42 -2.676 9.781 -3.945 289 HB3 TRP 42 2HB TRP 42 -3.130 8.335 -3.047 290 HD1 TRP 42 HD TRP 42 -3.285 12.134 -2.885 291 HE1 TRP 42 1HE TRP 42 -4.838 12.824 -0.952 292 HE3 TRP 42 3HE TRP 42 -3.979 7.552 -0.726 293 HZ2 TRP 42 2HZ TRP 42 -6.179 11.590 1.204 294 HZ3 TRP 42 3HZ TRP 42 -5.410 7.393 1.269 295 HH2 TRP 42 HH TRP 42 -6.486 9.371 2.213 296 H TRP 43 H TRP 43 -0.557 6.756 -2.021 297 HA TRP 43 HA TRP 43 0.765 6.411 -4.632 298 HB2 TRP 43 1HB TRP 43 1.430 5.307 -1.911 299 HB3 TRP 43 2HB TRP 43 2.031 4.547 -3.382 300 HD1 TRP 43 HD TRP 43 2.219 7.826 -4.539 301 HE1 TRP 43 1HE TRP 43 4.448 8.995 -4.001 302 HE3 TRP 43 3HE TRP 43 3.890 4.724 -0.834 303 HZ2 TRP 43 2HZ TRP 43 6.626 8.648 -2.240 304 HZ3 TRP 43 3HZ TRP 43 6.056 5.212 0.225 305 HH2 TRP 43 HH TRP 43 7.395 7.134 -0.465 306 H LEU 44 H LEU 44 0.434 4.505 -5.777 307 HA LEU 44 HA LEU 44 -2.024 3.095 -5.077 308 HB2 LEU 44 1HB LEU 44 -1.910 3.971 -7.311 309 HB3 LEU 44 2HB LEU 44 -0.371 3.162 -7.594 310 HG LEU 44 HG LEU 44 -1.646 0.976 -7.303 311 HD11 LEU 44 1HD1 LEU 44 -3.798 2.914 -6.967 312 HD12 LEU 44 2HD1 LEU 44 -3.727 1.208 -6.530 313 HD13 LEU 44 3HD1 LEU 44 -4.145 1.679 -8.177 314 HD21 LEU 44 1HD2 LEU 44 -0.865 1.786 -9.464 315 HD22 LEU 44 2HD2 LEU 44 -2.315 2.776 -9.631 316 HD23 LEU 44 3HD2 LEU 44 -2.445 1.017 -9.616 317 H ALA 45 H ALA 45 -1.464 1.608 -3.538 318 HA ALA 45 HA ALA 45 0.574 -0.380 -4.302 319 HB1 ALA 45 1HB ALA 45 -0.264 0.651 -1.612 320 HB2 ALA 45 2HB ALA 45 0.587 -0.884 -1.794 321 HB3 ALA 45 3HB ALA 45 1.346 0.614 -2.332 322 H ARG 46 H ARG 46 0.136 -2.567 -3.186 323 HA ARG 46 HA ARG 46 -2.726 -3.190 -3.121 324 HB2 ARG 46 1HB ARG 46 -2.524 -5.024 -4.627 325 HB3 ARG 46 2HB ARG 46 -1.785 -3.637 -5.416 326 HG2 ARG 46 1HG ARG 46 0.431 -4.461 -4.771 327 HG3 ARG 46 2HG ARG 46 -0.324 -5.865 -4.013 328 HD2 ARG 46 1HD ARG 46 -0.834 -5.198 -6.890 329 HD3 ARG 46 2HD ARG 46 0.607 -6.093 -6.409 330 HE ARG 46 HE ARG 46 -1.558 -7.365 -5.238 331 HH11 ARG 46 2HH1 ARG 46 -0.406 -6.659 -8.446 332 HH12 ARG 46 1HH1 ARG 46 -1.129 -8.065 -9.156 333 HH21 ARG 46 2HH2 ARG 46 -2.515 -9.219 -6.161 334 HH22 ARG 46 1HH2 ARG 46 -2.329 -9.520 -7.855 335 H HIS 47 H HIS 47 -3.265 -5.081 -1.955 336 HA HIS 47 HA HIS 47 -1.712 -5.555 0.332 337 HB2 HIS 47 1HB HIS 47 -4.143 -6.778 -0.872 338 HB3 HIS 47 2HB HIS 47 -3.299 -7.706 0.364 339 HD1 HIS 47 1HD HIS 47 -2.828 -6.180 2.652 340 HD2 HIS 47 2HD HIS 47 -5.971 -5.085 0.164 341 HE1 HIS 47 1HE HIS 47 -4.335 -4.744 4.064 342 HE2 HIS 47 2HE HIS 47 -6.272 -4.164 2.563 343 H LEU 48 H LEU 48 -0.122 -6.952 0.790 344 HA LEU 48 HA LEU 48 0.738 -8.773 -1.346 345 HB2 LEU 48 1HB LEU 48 2.209 -7.626 1.019 346 HB3 LEU 48 2HB LEU 48 2.889 -8.830 -0.074 347 HG LEU 48 HG LEU 48 1.967 -6.107 -0.975 348 HD11 LEU 48 1HD1 LEU 48 3.989 -5.198 -0.538 349 HD12 LEU 48 2HD1 LEU 48 4.848 -6.722 -0.760 350 HD13 LEU 48 3HD1 LEU 48 3.993 -6.405 0.749 351 HD21 LEU 48 1HD2 LEU 48 3.171 -6.584 -2.974 352 HD22 LEU 48 2HD2 LEU 48 2.124 -7.966 -2.648 353 HD23 LEU 48 3HD2 LEU 48 3.849 -8.060 -2.286 354 H GLU 49 H GLU 49 -0.167 -8.642 2.039 355 HA GLU 49 HA GLU 49 0.564 -11.285 2.721 356 HB2 GLU 49 1HB GLU 49 -1.456 -9.379 3.901 357 HB3 GLU 49 2HB GLU 49 -1.116 -10.959 4.592 358 HG2 GLU 49 1HG GLU 49 0.998 -8.873 4.147 359 HG3 GLU 49 2HG GLU 49 0.079 -9.019 5.644 360 H LYS 50 H LYS 50 -0.190 -13.027 1.718 361 HA LYS 50 HA LYS 50 -2.877 -13.048 0.603 362 HB2 LYS 50 1HB LYS 50 -0.819 -13.952 -0.595 363 HB3 LYS 50 2HB LYS 50 -0.864 -15.294 0.541 364 HG2 LYS 50 1HG LYS 50 -2.001 -16.159 -1.256 365 HG3 LYS 50 2HG LYS 50 -3.324 -15.544 -0.263 366 HD2 LYS 50 1HD LYS 50 -3.890 -14.720 -2.340 367 HD3 LYS 50 2HD LYS 50 -2.980 -13.366 -1.666 368 HE2 LYS 50 1HE LYS 50 -1.998 -13.533 -3.727 369 HE3 LYS 50 2HE LYS 50 -0.949 -14.599 -2.794 370 HZ1 LYS 50 1HZ LYS 50 -2.535 -15.216 -5.036 371 HZ2 LYS 50 2HZ LYS 50 -3.071 -16.137 -3.723 372 HZ3 LYS 50 3HZ LYS 50 -1.450 -16.213 -4.203 373 H LYS 51 H LYS 51 -3.453 -12.848 3.076 374 HA LYS 51 HA LYS 51 -3.728 -15.539 4.227 375 HB2 LYS 51 1HB LYS 51 -2.718 -13.467 5.489 376 HB3 LYS 51 2HB LYS 51 -4.408 -13.040 5.727 377 HG2 LYS 51 1HG LYS 51 -3.248 -15.704 6.502 378 HG3 LYS 51 2HG LYS 51 -3.351 -14.323 7.597 379 HD2 LYS 51 1HD LYS 51 -5.839 -14.282 7.046 380 HD3 LYS 51 2HD LYS 51 -5.593 -15.875 6.327 381 HE2 LYS 51 1HE LYS 51 -4.461 -16.411 8.619 382 HE3 LYS 51 2HE LYS 51 -5.395 -15.027 9.185 383 HZ1 LYS 51 1HZ LYS 51 -6.510 -17.439 7.858 384 HZ2 LYS 51 2HZ LYS 51 -7.407 -16.112 8.400 385 HZ3 LYS 51 3HZ LYS 51 -6.596 -17.094 9.512 386 H GLY 52 H GLY 52 -5.618 -12.517 3.967 387 HA2 GLY 52 1HA GLY 52 -7.798 -12.837 2.737 388 HA3 GLY 52 2HA GLY 52 -8.047 -14.193 3.826 389 H THR 53 H THR 53 -6.865 -10.885 4.391 390 HA THR 53 HA THR 53 -9.104 -10.515 6.273 391 HB THR 53 HB THR 53 -6.979 -10.820 7.487 392 HG1 THR 53 1HG THR 53 -7.719 -8.087 7.665 393 HG21 THR 53 1HG2 THR 53 -5.353 -8.837 7.315 394 HG22 THR 53 2HG2 THR 53 -6.122 -8.514 5.761 395 HG23 THR 53 3HG2 THR 53 -5.304 -10.052 6.039 396 H GLY 54 H GLY 54 -9.216 -9.757 3.567 397 HA2 GLY 54 1HA GLY 54 -8.906 -6.825 3.699 398 HA3 GLY 54 2HA GLY 54 -8.949 -7.762 2.213 399 H LEU 55 H LEU 55 -10.723 -5.833 4.282 400 HA LEU 55 HA LEU 55 -13.304 -6.953 4.045 401 HB2 LEU 55 1HB LEU 55 -12.598 -5.203 5.681 402 HB3 LEU 55 2HB LEU 55 -12.599 -4.041 4.357 403 HG LEU 55 HG LEU 55 -15.078 -4.730 4.068 404 HD11 LEU 55 1HD1 LEU 55 -14.590 -6.603 5.869 405 HD12 LEU 55 2HD1 LEU 55 -16.162 -5.812 5.753 406 HD13 LEU 55 3HD1 LEU 55 -15.005 -5.298 6.981 407 HD21 LEU 55 1HD2 LEU 55 -13.801 -2.676 5.372 408 HD22 LEU 55 2HD2 LEU 55 -14.929 -3.274 6.588 409 HD23 LEU 55 3HD2 LEU 55 -15.525 -2.756 5.010 410 H GLY 56 H GLY 56 -14.165 -7.403 2.111 411 HA2 GLY 56 1HA GLY 56 -15.462 -6.544 0.280 412 HA3 GLY 56 2HA GLY 56 -14.336 -5.200 0.166 413 H GLN 57 H GLN 57 -13.743 -5.426 -1.943 414 HA GLN 57 HA GLN 57 -12.402 -7.951 -2.656 415 HB2 GLN 57 1HB GLN 57 -12.957 -7.393 -5.023 416 HB3 GLN 57 2HB GLN 57 -14.366 -7.700 -4.017 417 HG2 GLN 57 1HG GLN 57 -14.643 -5.245 -3.760 418 HG3 GLN 57 2HG GLN 57 -13.329 -5.024 -4.914 419 HE21 GLN 57 1HE2 GLN 57 -15.798 -3.959 -5.393 420 HE22 GLN 57 2HE2 GLN 57 -16.549 -4.790 -6.708 421 H GLN 58 H GLN 58 -12.422 -4.446 -3.254 422 HA GLN 58 HA GLN 58 -10.205 -4.028 -4.713 423 HB2 GLN 58 1HB GLN 58 -11.676 -2.272 -3.670 424 HB3 GLN 58 2HB GLN 58 -10.753 -2.469 -2.186 425 HG2 GLN 58 1HG GLN 58 -8.823 -1.568 -3.119 426 HG3 GLN 58 2HG GLN 58 -9.396 -1.810 -4.769 427 HE21 GLN 58 1HE2 GLN 58 -8.577 0.515 -4.710 428 HE22 GLN 58 2HE2 GLN 58 -9.762 1.726 -4.374 429 H LEU 59 H LEU 59 -8.140 -4.598 -4.629 430 HA LEU 59 HA LEU 59 -7.002 -5.352 -2.019 431 HB2 LEU 59 1HB LEU 59 -5.438 -6.770 -3.310 432 HB3 LEU 59 2HB LEU 59 -7.126 -7.253 -3.461 433 HG LEU 59 HG LEU 59 -5.923 -5.506 -5.560 434 HD11 LEU 59 1HD1 LEU 59 -5.745 -8.405 -6.025 435 HD12 LEU 59 2HD1 LEU 59 -4.575 -7.742 -4.884 436 HD13 LEU 59 3HD1 LEU 59 -4.666 -7.102 -6.525 437 HD21 LEU 59 1HD2 LEU 59 -7.966 -5.839 -6.372 438 HD22 LEU 59 2HD2 LEU 59 -8.322 -7.061 -5.151 439 HD23 LEU 59 3HD2 LEU 59 -7.506 -7.520 -6.646 440 H GLN 60 H GLN 60 -6.787 -3.209 -4.658 441 HA GLN 60 HA GLN 60 -4.343 -2.061 -3.526 442 HB2 GLN 60 1HB GLN 60 -3.264 -1.829 -5.623 443 HB3 GLN 60 2HB GLN 60 -3.810 -3.498 -5.543 444 HG2 GLN 60 1HG GLN 60 -5.802 -2.831 -6.887 445 HG3 GLN 60 2HG GLN 60 -5.064 -1.242 -7.084 446 HE21 GLN 60 1HE2 GLN 60 -3.613 -0.952 -8.654 447 HE22 GLN 60 2HE2 GLN 60 -2.976 -2.203 -9.661 448 H GLY 61 H GLY 61 -4.464 0.083 -3.271 449 HA2 GLY 61 1HA GLY 61 -6.139 1.692 -5.018 450 HA3 GLY 61 2HA GLY 61 -6.664 1.605 -3.343 451 H TYR 62 H TYR 62 -6.338 3.962 -3.459 452 HA TYR 62 HA TYR 62 -3.573 4.861 -3.508 453 HB2 TYR 62 1HB TYR 62 -6.228 6.268 -3.361 454 HB3 TYR 62 2HB TYR 62 -4.723 7.127 -3.050 455 HD1 TYR 62 2HD TYR 62 -2.854 6.617 -4.941 456 HD2 TYR 62 1HD TYR 62 -7.067 6.418 -5.497 457 HE1 TYR 62 2HE TYR 62 -2.545 6.958 -7.357 458 HE2 TYR 62 1HE TYR 62 -6.770 6.757 -7.915 459 HH TYR 62 HH TYR 62 -3.834 6.430 -9.469 460 H ILE 63 H ILE 63 -2.367 5.230 -1.761 461 HA ILE 63 HA ILE 63 -3.674 5.588 0.839 462 HB ILE 63 HB ILE 63 -2.132 4.059 1.936 463 HG12 ILE 63 1HG1 ILE 63 -1.225 2.976 -0.701 464 HG13 ILE 63 2HG1 ILE 63 -0.421 4.396 -0.042 465 HG21 ILE 63 1HG2 ILE 63 -4.258 3.340 0.255 466 HG22 ILE 63 2HG2 ILE 63 -3.010 2.119 0.015 467 HG23 ILE 63 3HG2 ILE 63 -3.625 2.444 1.635 468 HD11 ILE 63 1HD1 ILE 63 -0.242 2.914 2.105 469 HD12 ILE 63 2HD1 ILE 63 -0.443 1.596 0.950 470 HD13 ILE 63 3HD1 ILE 63 0.900 2.726 0.775 471 HA PRO 64 HA PRO 64 -0.720 8.808 1.344 472 HB2 PRO 64 1HB PRO 64 -0.676 8.961 4.054 473 HB3 PRO 64 2HB PRO 64 -2.032 9.542 3.081 474 HG2 PRO 64 1HG PRO 64 -1.736 6.961 4.568 475 HG3 PRO 64 2HG PRO 64 -3.141 8.038 4.465 476 HD2 PRO 64 1HD PRO 64 -2.929 5.776 2.993 477 HD3 PRO 64 2HD PRO 64 -3.774 7.222 2.405 478 H SER 65 H SER 65 1.417 8.710 1.124 479 HA SER 65 HA SER 65 2.953 6.458 1.865 480 HB2 SER 65 1HB SER 65 4.866 7.704 1.060 481 HB3 SER 65 2HB SER 65 3.504 8.007 -0.019 482 HG SER 65 HG SER 65 3.332 10.025 0.730 483 H ASN 66 H ASN 66 2.053 9.319 3.551 484 HA ASN 66 HA ASN 66 4.194 9.366 5.427 485 HB2 ASN 66 1HB ASN 66 1.406 10.530 5.589 486 HB3 ASN 66 2HB ASN 66 2.706 10.877 6.725 487 HD21 ASN 66 1HD2 ASN 66 1.364 12.816 5.220 488 HD22 ASN 66 2HD2 ASN 66 2.493 13.532 4.126 489 H TYR 67 H TYR 67 1.662 7.231 4.984 490 HA TYR 67 HA TYR 67 1.427 6.547 7.817 491 HB2 TYR 67 1HB TYR 67 -0.136 5.879 5.356 492 HB3 TYR 67 2HB TYR 67 -0.215 4.789 6.737 493 HD1 TYR 67 1HD TYR 67 -0.469 8.450 6.007 494 HD2 TYR 67 2HD TYR 67 -1.896 5.144 8.274 495 HE1 TYR 67 1HE TYR 67 -2.162 9.901 7.045 496 HE2 TYR 67 2HE TYR 67 -3.594 6.586 9.317 497 HH TYR 67 HH TYR 67 -4.661 9.264 8.219 498 H VAL 68 H VAL 68 3.029 5.554 4.954 499 HA VAL 68 HA VAL 68 3.819 3.019 6.236 500 HB VAL 68 HB VAL 68 4.252 2.084 4.078 501 HG11 VAL 68 1HG1 VAL 68 2.103 1.630 3.653 502 HG12 VAL 68 2HG1 VAL 68 1.742 2.753 4.966 503 HG13 VAL 68 3HG1 VAL 68 1.726 3.315 3.294 504 HG21 VAL 68 1HG2 VAL 68 3.442 4.697 2.819 505 HG22 VAL 68 2HG2 VAL 68 5.120 4.228 3.095 506 HG23 VAL 68 3HG2 VAL 68 4.102 3.271 2.019 507 H ALA 69 H ALA 69 6.050 2.282 5.247 508 HA ALA 69 HA ALA 69 7.905 4.489 4.884 509 HB1 ALA 69 1HB ALA 69 8.626 4.563 6.979 510 HB2 ALA 69 2HB ALA 69 7.525 3.263 7.435 511 HB3 ALA 69 3HB ALA 69 9.141 2.882 6.841 512 H GLU 70 H GLU 70 10.213 3.577 4.656 513 HA GLU 70 HA GLU 70 10.060 1.390 2.756 514 HB2 GLU 70 1HB GLU 70 11.433 3.633 2.592 515 HB3 GLU 70 2HB GLU 70 12.629 2.722 3.505 516 HG2 GLU 70 1HG GLU 70 12.809 1.086 1.784 517 HG3 GLU 70 2HG GLU 70 11.435 1.769 0.916 518 H ASP 71 H ASP 71 10.066 -0.600 3.585 519 HA ASP 71 HA ASP 71 11.664 -1.190 5.956 520 HB2 ASP 71 1HB ASP 71 9.188 -1.967 5.422 521 HB3 ASP 71 2HB ASP 71 10.022 -3.267 4.576 522 H SER 72 H SER 72 12.891 -3.274 5.972 523 HA SER 72 HA SER 72 14.827 -3.260 3.911 524 HB2 SER 72 1HB SER 72 15.556 -3.942 6.067 525 HB3 SER 72 2HB SER 72 14.283 -5.156 6.195 526 HG SER 72 HG SER 72 15.461 -6.508 5.082 527 H GLY 73 H GLY 73 14.906 -4.303 2.026 528 HA2 GLY 73 1HA GLY 73 13.890 -6.881 1.544 529 HA3 GLY 73 2HA GLY 73 12.707 -5.704 0.992 530 HA PRO 74 HA PRO 74 16.742 -5.137 -1.656 531 HB2 PRO 74 1HB PRO 74 18.450 -7.247 -1.613 532 HB3 PRO 74 2HB PRO 74 18.585 -5.879 -0.502 533 HG2 PRO 74 1HG PRO 74 17.375 -8.578 -0.044 534 HG3 PRO 74 2HG PRO 74 18.422 -7.626 1.024 535 HD2 PRO 74 1HD PRO 74 15.736 -7.742 1.343 536 HD3 PRO 74 2HD PRO 74 16.684 -6.298 1.752 537 H SER 75 H SER 75 15.434 -8.393 -1.207 538 HA SER 75 HA SER 75 15.782 -9.306 -3.842 539 HB2 SER 75 1HB SER 75 14.058 -10.102 -1.538 540 HB3 SER 75 2HB SER 75 13.676 -10.758 -3.129 541 HG SER 75 HG SER 75 15.132 -12.099 -1.994 542 H SER 76 H SER 76 15.140 -7.927 -5.428 543 HA SER 76 HA SER 76 12.478 -6.755 -5.349 544 HB2 SER 76 1HB SER 76 14.100 -5.230 -6.132 545 HB3 SER 76 2HB SER 76 14.850 -6.433 -7.180 546 HG SER 76 HG SER 76 13.638 -5.211 -8.521 547 H GLY 77 H GLY 77 10.797 -7.875 -6.064 548 HA2 GLY 77 1HA GLY 77 9.709 -8.758 -8.077 549 HA3 GLY 77 2HA GLY 77 11.195 -9.640 -8.400
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