NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
520449 | 2le2 | 17689 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -18.296 -17.044 2.488 2 H2 MET 1 2H MET 1 -17.246 -16.241 1.486 3 H3 MET 1 3H MET 1 -18.545 -17.044 0.849 4 HA MET 1 HA MET 1 -19.822 -15.240 1.079 5 HB2 MET 1 1HB MET 1 -20.117 -15.976 3.452 6 HB3 MET 1 2HB MET 1 -18.768 -14.912 3.925 7 HG2 MET 1 1HG MET 1 -21.040 -13.919 4.237 8 HG3 MET 1 2HG MET 1 -19.968 -12.959 3.206 9 HE1 MET 1 3HE MET 1 -22.575 -12.237 3.547 10 HE2 MET 1 1HE MET 1 -23.196 -11.946 1.870 11 HE3 MET 1 2HE MET 1 -23.898 -13.193 2.886 12 H VAL 2 H VAL 2 -19.597 -13.057 0.556 13 HA VAL 2 HA VAL 2 -17.001 -12.136 -0.201 14 HB VAL 2 HB VAL 2 -18.137 -9.991 -0.657 15 HG11 VAL 2 1HG1 VAL 2 -19.708 -12.408 -1.646 16 HG12 VAL 2 2HG1 VAL 2 -19.580 -10.816 -2.422 17 HG13 VAL 2 3HG1 VAL 2 -18.144 -11.841 -2.284 18 HG21 VAL 2 3HG2 VAL 2 -19.791 -9.937 1.176 19 HG22 VAL 2 1HG2 VAL 2 -20.547 -9.733 -0.412 20 HG23 VAL 2 2HG2 VAL 2 -20.673 -11.293 0.425 21 H GLN 3 H GLN 3 -15.920 -10.348 0.471 22 HA GLN 3 HA GLN 3 -14.755 -10.107 2.855 23 HB2 GLN 3 1HB GLN 3 -14.436 -7.660 2.316 24 HB3 GLN 3 2HB GLN 3 -13.848 -8.880 1.184 25 HG2 GLN 3 1HG GLN 3 -15.391 -8.321 -0.362 26 HG3 GLN 3 2HG GLN 3 -16.677 -7.935 0.842 27 HE21 GLN 3 1HE2 GLN 3 -16.809 -6.212 -1.285 28 HE22 GLN 3 2HE2 GLN 3 -16.468 -4.739 -0.502 29 H ASN 4 H ASN 4 -15.984 -10.429 4.677 30 HA ASN 4 HA ASN 4 -18.066 -8.600 5.578 31 HB2 ASN 4 1HB ASN 4 -17.884 -10.945 6.322 32 HB3 ASN 4 2HB ASN 4 -16.332 -10.612 7.088 33 HD21 ASN 4 1HD2 ASN 4 -16.784 -10.711 9.313 34 HD22 ASN 4 2HD2 ASN 4 -18.160 -9.773 9.985 35 H ASP 5 H ASP 5 -14.622 -8.986 6.378 36 HA ASP 5 HA ASP 5 -14.353 -6.129 7.000 37 HB2 ASP 5 1HB ASP 5 -15.153 -7.026 9.142 38 HB3 ASP 5 2HB ASP 5 -13.856 -8.240 9.135 39 H PHE 6 H PHE 6 -13.151 -6.411 5.088 40 HA PHE 6 HA PHE 6 -11.442 -6.699 3.682 41 HB2 PHE 6 1HB PHE 6 -9.793 -7.231 6.174 42 HB3 PHE 6 2HB PHE 6 -9.147 -7.255 4.550 43 HD1 PHE 6 2HD PHE 6 -11.047 -4.975 6.891 44 HD2 PHE 6 1HD PHE 6 -8.298 -5.332 3.591 45 HE1 PHE 6 2HE PHE 6 -10.632 -2.533 6.970 46 HE2 PHE 6 1HE PHE 6 -7.887 -2.888 3.671 47 HZ PHE 6 HZ PHE 6 -9.035 -1.486 5.368 48 H VAL 7 H VAL 7 -11.887 -9.296 5.913 49 HA VAL 7 HA VAL 7 -10.487 -11.318 4.680 50 HB VAL 7 HB VAL 7 -11.170 -11.405 6.920 51 HG11 VAL 7 1HG1 VAL 7 -13.495 -10.444 6.734 52 HG12 VAL 7 2HG1 VAL 7 -14.047 -12.040 6.132 53 HG13 VAL 7 3HG1 VAL 7 -13.387 -11.869 7.761 54 HG21 VAL 7 3HG2 VAL 7 -10.629 -13.515 5.748 55 HG22 VAL 7 1HG2 VAL 7 -11.727 -13.735 7.128 56 HG23 VAL 7 2HG2 VAL 7 -12.367 -13.799 5.472 57 H ASP 8 H ASP 8 -10.742 -11.150 2.493 58 HA ASP 8 HA ASP 8 -12.243 -13.515 1.653 59 HB2 ASP 8 1HB ASP 8 -13.862 -11.748 1.088 60 HB3 ASP 8 2HB ASP 8 -12.651 -10.884 0.155 61 H SER 9 H SER 9 -10.657 -10.878 -0.041 62 HA SER 9 HA SER 9 -8.289 -12.402 -0.966 63 HB2 SER 9 1HB SER 9 -10.270 -11.228 -2.929 64 HB3 SER 9 2HB SER 9 -8.794 -12.173 -3.264 65 HG SER 9 HG SER 9 -11.298 -13.069 -2.191 66 H TYR 10 H TYR 10 -7.508 -10.682 -2.904 67 HA TYR 10 HA TYR 10 -5.825 -9.065 -1.354 68 HB2 TYR 10 1HB TYR 10 -6.549 -8.803 -4.282 69 HB3 TYR 10 2HB TYR 10 -5.334 -7.833 -3.491 70 HD1 TYR 10 2HD TYR 10 -6.217 -11.391 -4.317 71 HD2 TYR 10 1HD TYR 10 -3.157 -8.622 -3.058 72 HE1 TYR 10 2HE TYR 10 -4.491 -13.125 -4.711 73 HE2 TYR 10 1HE TYR 10 -1.417 -10.364 -3.485 74 HH TYR 10 HH TYR 10 -2.242 -13.601 -4.719 75 H ASP 11 H ASP 11 -5.871 -7.189 -0.409 76 HA ASP 11 HA ASP 11 -8.170 -5.332 -0.651 77 HB2 ASP 11 1HB ASP 11 -7.450 -5.697 1.572 78 HB3 ASP 11 2HB ASP 11 -5.748 -5.483 1.161 79 H VAL 12 H VAL 12 -8.157 -3.729 -2.029 80 HA VAL 12 HA VAL 12 -5.582 -2.673 -3.101 81 HB VAL 12 HB VAL 12 -8.197 -3.150 -4.579 82 HG11 VAL 12 1HG1 VAL 12 -7.003 -2.330 -6.546 83 HG12 VAL 12 2HG1 VAL 12 -7.168 -1.061 -5.329 84 HG13 VAL 12 3HG1 VAL 12 -5.600 -1.881 -5.538 85 HG21 VAL 12 3HG2 VAL 12 -5.423 -4.386 -4.849 86 HG22 VAL 12 1HG2 VAL 12 -6.911 -5.215 -4.347 87 HG23 VAL 12 2HG2 VAL 12 -6.753 -4.633 -6.010 88 H THR 13 H THR 13 -5.345 -0.562 -2.885 89 HA THR 13 HA THR 13 -7.689 1.159 -2.106 90 HB THR 13 HB THR 13 -5.079 0.919 -0.555 91 HG1 THR 13 1HG THR 13 -6.612 -0.689 -0.018 92 HG21 THR 13 3HG2 THR 13 -5.850 3.264 -0.536 93 HG22 THR 13 1HG2 THR 13 -7.507 2.735 -0.151 94 HG23 THR 13 2HG2 THR 13 -6.204 2.508 1.029 95 H MET 14 H MET 14 -7.711 2.487 -3.900 96 HA MET 14 HA MET 14 -5.096 3.799 -4.580 97 HB2 MET 14 1HB MET 14 -7.410 3.789 -6.478 98 HB3 MET 14 2HB MET 14 -5.712 4.154 -6.760 99 HG2 MET 14 1HG MET 14 -5.307 1.664 -6.096 100 HG3 MET 14 2HG MET 14 -7.032 1.476 -6.368 101 HE1 MET 14 3HE MET 14 -8.064 2.724 -8.676 102 HE2 MET 14 1HE MET 14 -6.824 3.953 -9.009 103 HE3 MET 14 2HE MET 14 -7.178 2.703 -10.220 104 H LEU 15 H LEU 15 -5.146 5.955 -5.347 105 HA LEU 15 HA LEU 15 -7.210 7.765 -4.226 106 HB2 LEU 15 1HB LEU 15 -4.306 7.409 -3.516 107 HB3 LEU 15 2HB LEU 15 -4.936 9.055 -3.571 108 HG LEU 15 HG LEU 15 -6.252 6.887 -1.876 109 HD11 LEU 15 1HD1 LEU 15 -4.357 7.030 -0.598 110 HD12 LEU 15 2HD1 LEU 15 -3.744 8.459 -1.481 111 HD13 LEU 15 3HD1 LEU 15 -4.913 8.661 -0.169 112 HD21 LEU 15 3HD2 LEU 15 -7.053 8.989 -0.668 113 HD22 LEU 15 1HD2 LEU 15 -6.330 9.939 -1.960 114 HD23 LEU 15 2HD2 LEU 15 -7.692 8.839 -2.320 115 H LEU 16 H LEU 16 -7.798 9.109 -5.764 116 HA LEU 16 HA LEU 16 -5.798 10.022 -7.786 117 HB2 LEU 16 1HB LEU 16 -8.707 9.463 -8.460 118 HB3 LEU 16 2HB LEU 16 -7.404 9.963 -9.532 119 HG LEU 16 HG LEU 16 -6.317 7.656 -8.537 120 HD11 LEU 16 1HD1 LEU 16 -8.735 7.412 -7.363 121 HD12 LEU 16 2HD1 LEU 16 -9.177 6.792 -8.953 122 HD13 LEU 16 3HD1 LEU 16 -7.868 6.006 -8.018 123 HD21 LEU 16 3HD2 LEU 16 -6.503 8.228 -10.896 124 HD22 LEU 16 1HD2 LEU 16 -7.000 6.551 -10.600 125 HD23 LEU 16 2HD2 LEU 16 -8.232 7.806 -10.886 126 H GLN 17 H GLN 17 -6.353 12.076 -8.764 127 HA GLN 17 HA GLN 17 -7.375 13.874 -6.630 128 HB2 GLN 17 1HB GLN 17 -5.054 14.009 -7.347 129 HB3 GLN 17 2HB GLN 17 -5.557 14.436 -8.993 130 HG2 GLN 17 1HG GLN 17 -6.553 16.513 -8.176 131 HG3 GLN 17 2HG GLN 17 -6.279 16.026 -6.492 132 HE21 GLN 17 1HE2 GLN 17 -4.105 16.010 -5.658 133 HE22 GLN 17 2HE2 GLN 17 -2.835 16.914 -6.532 134 H ASP 18 H ASP 18 -9.089 15.093 -6.791 135 HA ASP 18 HA ASP 18 -10.801 15.087 -9.163 136 HB2 ASP 18 1HB ASP 18 -11.605 14.980 -6.775 137 HB3 ASP 18 2HB ASP 18 -11.012 16.632 -6.542 138 H ASP 19 H ASP 19 -11.659 17.185 -10.017 139 HA ASP 19 HA ASP 19 -9.665 19.022 -10.960 140 HB2 ASP 19 1HB ASP 19 -11.798 18.469 -12.095 141 HB3 ASP 19 2HB ASP 19 -12.694 19.283 -10.804 142 H ASP 20 H ASP 20 -11.641 18.964 -8.031 143 HA ASP 20 HA ASP 20 -11.169 21.687 -7.217 144 HB2 ASP 20 1HB ASP 20 -12.898 20.091 -6.329 145 HB3 ASP 20 2HB ASP 20 -11.606 19.241 -5.457 146 H GLY 21 H GLY 21 -8.918 19.176 -7.625 147 HA2 GLY 21 1HA GLY 21 -6.671 19.249 -7.337 148 HA3 GLY 21 2HA GLY 21 -6.790 20.717 -6.346 149 H LYS 22 H LYS 22 -8.781 18.092 -5.396 150 HA LYS 22 HA LYS 22 -6.863 17.232 -3.262 151 HB2 LYS 22 1HB LYS 22 -9.862 17.775 -3.018 152 HB3 LYS 22 2HB LYS 22 -8.890 16.922 -1.796 153 HG2 LYS 22 1HG LYS 22 -7.373 18.893 -1.653 154 HG3 LYS 22 2HG LYS 22 -8.464 19.781 -2.756 155 HD2 LYS 22 1HD LYS 22 -10.322 19.485 -1.141 156 HD3 LYS 22 2HD LYS 22 -9.216 18.590 -0.051 157 HE2 LYS 22 1HE LYS 22 -7.697 20.587 -0.023 158 HE3 LYS 22 2HE LYS 22 -8.908 21.483 -0.995 159 HZ1 LYS 22 3HZ LYS 22 -10.374 21.496 0.762 160 HZ2 LYS 22 1HZ LYS 22 -9.641 20.222 1.537 161 HZ3 LYS 22 2HZ LYS 22 -8.938 21.732 1.550 162 H GLN 23 H GLN 23 -7.228 15.145 -2.393 163 HA GLN 23 HA GLN 23 -7.702 13.280 -4.599 164 HB2 GLN 23 1HB GLN 23 -6.440 12.993 -1.869 165 HB3 GLN 23 2HB GLN 23 -6.895 11.632 -2.907 166 HG2 GLN 23 1HG GLN 23 -4.627 11.978 -3.358 167 HG3 GLN 23 2HG GLN 23 -5.525 12.548 -4.766 168 HE21 GLN 23 1HE2 GLN 23 -3.566 13.574 -1.941 169 HE22 GLN 23 2HE2 GLN 23 -3.295 15.179 -2.643 170 H TYR 24 H TYR 24 -9.006 11.548 -4.637 171 HA TYR 24 HA TYR 24 -10.896 11.067 -2.396 172 HB2 TYR 24 1HB TYR 24 -12.652 10.513 -3.964 173 HB3 TYR 24 2HB TYR 24 -12.139 12.177 -4.186 174 HD1 TYR 24 2HD TYR 24 -12.192 8.786 -5.683 175 HD2 TYR 24 1HD TYR 24 -10.971 12.888 -6.230 176 HE1 TYR 24 2HE TYR 24 -11.947 8.383 -8.112 177 HE2 TYR 24 1HE TYR 24 -10.738 12.487 -8.688 178 HH TYR 24 HH TYR 24 -11.433 9.316 -10.136 179 H TYR 25 H TYR 25 -11.379 8.915 -2.040 180 HA TYR 25 HA TYR 25 -9.195 7.078 -2.733 181 HB2 TYR 25 1HB TYR 25 -11.548 6.963 -0.808 182 HB3 TYR 25 2HB TYR 25 -10.473 5.604 -1.083 183 HD1 TYR 25 1HD TYR 25 -8.139 5.603 -0.386 184 HD2 TYR 25 2HD TYR 25 -10.780 8.896 0.512 185 HE1 TYR 25 1HE TYR 25 -6.582 6.375 1.411 186 HE2 TYR 25 2HE TYR 25 -9.222 9.671 2.280 187 HH TYR 25 HH TYR 25 -7.288 9.203 3.434 188 H GLU 26 H GLU 26 -9.400 5.088 -3.513 189 HA GLU 26 HA GLU 26 -12.032 3.968 -4.379 190 HB2 GLU 26 1HB GLU 26 -9.425 4.130 -5.904 191 HB3 GLU 26 2HB GLU 26 -10.558 2.824 -6.220 192 HG2 GLU 26 1HG GLU 26 -11.297 5.773 -6.406 193 HG3 GLU 26 2HG GLU 26 -10.687 4.821 -7.755 194 H TYR 27 H TYR 27 -11.877 3.177 -2.163 195 HA TYR 27 HA TYR 27 -10.003 1.026 -1.476 196 HB2 TYR 27 1HB TYR 27 -12.682 1.904 -0.317 197 HB3 TYR 27 2HB TYR 27 -11.751 0.548 0.284 198 HD1 TYR 27 1HD TYR 27 -9.406 0.911 1.234 199 HD2 TYR 27 2HD TYR 27 -12.184 4.125 0.440 200 HE1 TYR 27 1HE TYR 27 -8.232 2.348 2.889 201 HE2 TYR 27 2HE TYR 27 -10.981 5.565 2.067 202 HH TYR 27 HH TYR 27 -9.265 5.682 3.573 203 H HIS 28 H HIS 28 -10.111 -0.991 -2.240 204 HA HIS 28 HA HIS 28 -12.720 -2.282 -2.830 205 HB2 HIS 28 1HB HIS 28 -10.336 -2.107 -4.715 206 HB3 HIS 28 2HB HIS 28 -11.678 -3.246 -4.881 207 HD1 HIS 28 1HD HIS 28 -14.135 -2.117 -5.411 208 HD2 HIS 28 2HD HIS 28 -10.745 0.399 -5.542 209 HE1 HIS 28 1HE HIS 28 -14.859 0.034 -6.648 210 HE2 HIS 28 2HE HIS 28 -12.806 1.545 -6.746 211 H LYS 29 H LYS 29 -12.544 -3.586 -1.032 212 HA LYS 29 HA LYS 29 -10.189 -5.356 -0.667 213 HB2 LYS 29 1HB LYS 29 -12.875 -5.349 0.726 214 HB3 LYS 29 2HB LYS 29 -11.490 -6.342 1.154 215 HG2 LYS 29 1HG LYS 29 -11.177 -4.733 2.685 216 HG3 LYS 29 2HG LYS 29 -10.295 -3.962 1.359 217 HD2 LYS 29 1HD LYS 29 -12.335 -2.592 0.865 218 HD3 LYS 29 2HD LYS 29 -13.172 -3.420 2.211 219 HE2 LYS 29 1HE LYS 29 -11.285 -2.635 3.714 220 HE3 LYS 29 2HE LYS 29 -10.673 -1.676 2.348 221 HZ1 LYS 29 3HZ LYS 29 -13.303 -1.387 3.670 222 HZ2 LYS 29 1HZ LYS 29 -12.043 -0.329 3.761 223 HZ3 LYS 29 2HZ LYS 29 -12.846 -0.536 2.335 224 H GLY 30 H GLY 30 -10.439 -7.702 -0.753 225 HA2 GLY 30 1HA GLY 30 -11.308 -9.700 -1.534 226 HA3 GLY 30 2HA GLY 30 -12.863 -8.900 -1.782 227 H LEU 31 H LEU 31 -9.758 -7.987 -3.315 228 HA LEU 31 HA LEU 31 -10.924 -8.652 -6.000 229 HB2 LEU 31 1HB LEU 31 -8.743 -6.680 -5.177 230 HB3 LEU 31 2HB LEU 31 -9.163 -7.068 -6.826 231 HG LEU 31 HG LEU 31 -10.714 -5.444 -4.846 232 HD11 LEU 31 1HD1 LEU 31 -9.126 -4.362 -6.397 233 HD12 LEU 31 2HD1 LEU 31 -9.927 -5.114 -7.791 234 HD13 LEU 31 3HD1 LEU 31 -10.787 -3.911 -6.830 235 HD21 LEU 31 3HD2 LEU 31 -12.437 -6.947 -5.660 236 HD22 LEU 31 1HD2 LEU 31 -12.625 -5.375 -6.439 237 HD23 LEU 31 2HD2 LEU 31 -11.898 -6.725 -7.345 238 H SER 32 H SER 32 -8.924 -8.984 -7.576 239 HA SER 32 HA SER 32 -6.760 -10.508 -6.277 240 HB2 SER 32 1HB SER 32 -6.882 -12.305 -7.666 241 HB3 SER 32 2HB SER 32 -8.584 -12.012 -7.305 242 HG SER 32 HG SER 32 -8.829 -10.863 -9.299 243 H LEU 33 H LEU 33 -4.968 -10.868 -8.058 244 HA LEU 33 HA LEU 33 -3.987 -8.283 -8.731 245 HB2 LEU 33 1HB LEU 33 -3.210 -11.088 -9.607 246 HB3 LEU 33 2HB LEU 33 -2.265 -9.664 -10.024 247 HG LEU 33 HG LEU 33 -2.938 -10.145 -7.106 248 HD11 LEU 33 1HD1 LEU 33 -2.136 -12.295 -8.004 249 HD12 LEU 33 2HD1 LEU 33 -0.638 -11.496 -8.553 250 HD13 LEU 33 3HD1 LEU 33 -1.060 -11.570 -6.815 251 HD21 LEU 33 3HD2 LEU 33 -0.841 -9.017 -6.721 252 HD22 LEU 33 1HD2 LEU 33 -0.457 -9.022 -8.464 253 HD23 LEU 33 2HD2 LEU 33 -1.818 -8.057 -7.854 254 H SER 34 H SER 34 -5.858 -10.605 -10.703 255 HA SER 34 HA SER 34 -5.542 -9.143 -13.194 256 HB2 SER 34 1HB SER 34 -7.558 -11.193 -12.193 257 HB3 SER 34 2HB SER 34 -7.532 -10.522 -13.843 258 HG SER 34 HG SER 34 -5.286 -11.792 -12.711 259 H ASP 35 H ASP 35 -7.822 -8.967 -10.447 260 HA ASP 35 HA ASP 35 -9.637 -7.111 -11.774 261 HB2 ASP 35 1HB ASP 35 -9.273 -7.723 -8.831 262 HB3 ASP 35 2HB ASP 35 -10.678 -6.953 -9.572 263 H PHE 36 H PHE 36 -6.809 -6.850 -9.643 264 HA PHE 36 HA PHE 36 -6.837 -4.013 -9.248 265 HB2 PHE 36 1HB PHE 36 -5.351 -5.377 -7.961 266 HB3 PHE 36 2HB PHE 36 -4.572 -6.030 -9.395 267 HD1 PHE 36 2HD PHE 36 -5.238 -2.759 -7.716 268 HD2 PHE 36 1HD PHE 36 -2.612 -5.026 -10.239 269 HE1 PHE 36 2HE PHE 36 -3.658 -0.830 -7.775 270 HE2 PHE 36 1HE PHE 36 -1.035 -3.096 -10.315 271 HZ PHE 36 HZ PHE 36 -1.564 -1.002 -9.086 272 H GLU 37 H GLU 37 -5.362 -5.960 -11.951 273 HA GLU 37 HA GLU 37 -4.434 -3.762 -13.470 274 HB2 GLU 37 1HB GLU 37 -5.454 -6.516 -14.272 275 HB3 GLU 37 2HB GLU 37 -4.756 -5.353 -15.398 276 HG2 GLU 37 1HG GLU 37 -2.663 -5.308 -14.107 277 HG3 GLU 37 2HG GLU 37 -3.351 -6.421 -12.922 278 H VAL 38 H VAL 38 -7.706 -5.180 -13.329 279 HA VAL 38 HA VAL 38 -8.838 -3.461 -15.361 280 HB VAL 38 HB VAL 38 -10.247 -4.788 -13.009 281 HG11 VAL 38 1HG1 VAL 38 -11.621 -2.955 -13.876 282 HG12 VAL 38 2HG1 VAL 38 -11.356 -3.507 -15.546 283 HG13 VAL 38 3HG1 VAL 38 -12.287 -4.504 -14.405 284 HG21 VAL 38 3HG2 VAL 38 -10.054 -5.652 -15.932 285 HG22 VAL 38 1HG2 VAL 38 -9.155 -6.402 -14.602 286 HG23 VAL 38 2HG2 VAL 38 -10.916 -6.494 -14.619 287 H LEU 39 H LEU 39 -8.806 -3.128 -11.763 288 HA LEU 39 HA LEU 39 -10.112 -0.621 -11.702 289 HB2 LEU 39 1HB LEU 39 -9.695 -2.104 -9.731 290 HB3 LEU 39 2HB LEU 39 -7.985 -1.677 -9.797 291 HG LEU 39 HG LEU 39 -8.683 0.759 -9.463 292 HD11 LEU 39 1HD1 LEU 39 -11.056 0.584 -10.106 293 HD12 LEU 39 2HD1 LEU 39 -11.355 -0.511 -8.737 294 HD13 LEU 39 3HD1 LEU 39 -10.882 1.187 -8.462 295 HD21 LEU 39 3HD2 LEU 39 -9.351 -1.244 -7.283 296 HD22 LEU 39 1HD2 LEU 39 -7.749 -0.566 -7.695 297 HD23 LEU 39 2HD2 LEU 39 -9.003 0.494 -7.048 298 H TYR 40 H TYR 40 -6.596 -1.260 -11.726 299 HA TYR 40 HA TYR 40 -5.698 1.461 -11.820 300 HB2 TYR 40 1HB TYR 40 -4.254 -0.322 -11.133 301 HB3 TYR 40 2HB TYR 40 -4.490 -1.195 -12.644 302 HD1 TYR 40 2HD TYR 40 -3.274 2.218 -11.531 303 HD2 TYR 40 1HD TYR 40 -2.742 -1.170 -14.153 304 HE1 TYR 40 2HE TYR 40 -1.263 3.292 -12.543 305 HE2 TYR 40 1HE TYR 40 -0.738 -0.084 -15.150 306 HH TYR 40 HH TYR 40 0.423 1.970 -15.396 307 H GLY 41 H GLY 41 -6.608 -0.804 -14.476 308 HA2 GLY 41 1HA GLY 41 -5.766 1.042 -16.552 309 HA3 GLY 41 2HA GLY 41 -6.668 -0.464 -16.736 310 H ASN 42 H ASN 42 -8.894 0.408 -14.945 311 HA ASN 42 HA ASN 42 -10.385 1.833 -17.059 312 HB2 ASN 42 1HB ASN 42 -11.051 -0.395 -16.153 313 HB3 ASN 42 2HB ASN 42 -11.304 0.341 -14.564 314 HD21 ASN 42 1HD2 ASN 42 -13.502 0.722 -14.188 315 HD22 ASN 42 2HD2 ASN 42 -14.584 1.170 -15.521 316 H THR 43 H THR 43 -9.348 2.447 -13.723 317 HA THR 43 HA THR 43 -11.350 4.462 -13.246 318 HB THR 43 HB THR 43 -8.658 4.340 -11.835 319 HG1 THR 43 1HG THR 43 -9.289 2.401 -11.335 320 HG21 THR 43 3HG2 THR 43 -10.041 6.273 -11.223 321 HG22 THR 43 1HG2 THR 43 -11.465 5.222 -11.005 322 HG23 THR 43 2HG2 THR 43 -10.087 5.074 -9.910 323 H ALA 44 H ALA 44 -8.137 4.566 -14.594 324 HA ALA 44 HA ALA 44 -7.030 5.953 -15.923 325 HB1 ALA 44 3HB ALA 44 -8.971 5.169 -17.195 326 HB2 ALA 44 1HB ALA 44 -9.854 6.657 -16.767 327 HB3 ALA 44 2HB ALA 44 -8.384 6.745 -17.769 328 H ASP 45 H ASP 45 -8.575 7.635 -13.516 329 HA ASP 45 HA ASP 45 -8.050 10.303 -14.501 330 HB2 ASP 45 1HB ASP 45 -9.690 9.203 -12.544 331 HB3 ASP 45 2HB ASP 45 -8.472 10.071 -11.597 332 H GLU 46 H GLU 46 -7.006 11.843 -12.707 333 HA GLU 46 HA GLU 46 -4.138 11.411 -12.856 334 HB2 GLU 46 1HB GLU 46 -5.201 13.643 -12.899 335 HB3 GLU 46 2HB GLU 46 -5.734 13.421 -11.233 336 HG2 GLU 46 1HG GLU 46 -3.813 14.824 -11.186 337 HG3 GLU 46 2HG GLU 46 -3.327 13.276 -10.523 338 H ILE 47 H ILE 47 -3.826 9.397 -11.918 339 HA ILE 47 HA ILE 47 -4.398 8.780 -9.184 340 HB ILE 47 HB ILE 47 -4.253 7.143 -10.950 341 HG12 ILE 47 1HG1 ILE 47 -3.910 6.599 -8.485 342 HG13 ILE 47 2HG1 ILE 47 -3.586 5.385 -9.715 343 HG21 ILE 47 1HG2 ILE 47 -2.441 7.913 -12.318 344 HG22 ILE 47 2HG2 ILE 47 -1.258 7.613 -11.028 345 HG23 ILE 47 3HG2 ILE 47 -2.116 6.256 -11.796 346 HD11 ILE 47 3HD1 ILE 47 -1.166 5.708 -9.502 347 HD12 ILE 47 1HD1 ILE 47 -1.418 6.979 -8.279 348 HD13 ILE 47 2HD1 ILE 47 -1.897 5.308 -7.944 349 H ILE 48 H ILE 48 -3.279 8.900 -7.355 350 HA ILE 48 HA ILE 48 -0.780 10.500 -7.297 351 HB ILE 48 HB ILE 48 -3.184 10.589 -5.440 352 HG12 ILE 48 1HG1 ILE 48 -3.758 11.747 -7.461 353 HG13 ILE 48 2HG1 ILE 48 -3.495 12.879 -6.138 354 HG21 ILE 48 1HG2 ILE 48 -1.659 11.226 -3.910 355 HG22 ILE 48 2HG2 ILE 48 -0.376 11.539 -5.095 356 HG23 ILE 48 3HG2 ILE 48 -1.598 12.777 -4.773 357 HD11 ILE 48 3HD1 ILE 48 -1.199 13.387 -7.089 358 HD12 ILE 48 1HD1 ILE 48 -1.622 12.367 -8.493 359 HD13 ILE 48 2HD1 ILE 48 -2.552 13.840 -8.147 360 H LYS 49 H LYS 49 -2.849 8.072 -5.554 361 HA LYS 49 HA LYS 49 -0.315 6.664 -5.034 362 HB2 LYS 49 1HB LYS 49 -2.327 6.830 -2.773 363 HB3 LYS 49 2HB LYS 49 -0.715 6.117 -2.772 364 HG2 LYS 49 1HG LYS 49 0.229 8.448 -3.082 365 HG3 LYS 49 2HG LYS 49 -1.433 9.065 -2.842 366 HD2 LYS 49 1HD LYS 49 -1.451 7.777 -0.644 367 HD3 LYS 49 2HD LYS 49 0.291 7.511 -0.874 368 HE2 LYS 49 1HE LYS 49 -1.132 10.211 -0.742 369 HE3 LYS 49 2HE LYS 49 -0.238 9.453 0.595 370 HZ1 LYS 49 3HZ LYS 49 1.819 9.671 -0.644 371 HZ2 LYS 49 1HZ LYS 49 1.121 10.083 -1.997 372 HZ3 LYS 49 2HZ LYS 49 1.063 11.167 -0.730 373 H LEU 50 H LEU 50 -0.528 4.439 -4.722 374 HA LEU 50 HA LEU 50 -3.166 3.365 -4.431 375 HB2 LEU 50 1HB LEU 50 -3.130 1.661 -6.193 376 HB3 LEU 50 2HB LEU 50 -3.228 3.310 -6.791 377 HG LEU 50 HG LEU 50 -0.749 3.169 -7.304 378 HD11 LEU 50 1HD1 LEU 50 -0.072 1.192 -6.019 379 HD12 LEU 50 2HD1 LEU 50 -1.285 0.193 -6.856 380 HD13 LEU 50 3HD1 LEU 50 0.116 0.853 -7.735 381 HD21 LEU 50 3HD2 LEU 50 -2.476 3.044 -9.017 382 HD22 LEU 50 1HD2 LEU 50 -1.135 1.956 -9.407 383 HD23 LEU 50 2HD2 LEU 50 -2.654 1.295 -8.757 384 H ARG 51 H ARG 51 -3.277 1.246 -3.729 385 HA ARG 51 HA ARG 51 -0.764 -0.097 -2.925 386 HB2 ARG 51 1HB ARG 51 -3.188 0.440 -1.177 387 HB3 ARG 51 2HB ARG 51 -1.951 -0.740 -0.775 388 HG2 ARG 51 1HG ARG 51 -0.282 1.234 -1.004 389 HG3 ARG 51 2HG ARG 51 -1.719 2.279 -0.894 390 HD2 ARG 51 1HD ARG 51 -0.498 0.391 1.114 391 HD3 ARG 51 2HD ARG 51 -0.828 2.117 1.295 392 HE ARG 51 HE ARG 51 -2.767 -0.163 1.447 393 HH11 ARG 51 2HH2 ARG 51 -2.321 3.217 2.008 394 HH12 ARG 51 1HH2 ARG 51 -3.640 3.315 3.171 395 HH21 ARG 51 1HH1 ARG 51 -4.429 -0.028 2.865 396 HH22 ARG 51 2HH1 ARG 51 -4.782 1.494 3.647 397 H LEU 52 H LEU 52 -0.852 -2.249 -2.744 398 HA LEU 52 HA LEU 52 -3.397 -3.667 -2.856 399 HB2 LEU 52 1HB LEU 52 -2.901 -3.837 -5.111 400 HB3 LEU 52 2HB LEU 52 -1.196 -4.133 -4.881 401 HG LEU 52 HG LEU 52 -3.188 -6.150 -3.815 402 HD11 LEU 52 1HD1 LEU 52 -2.274 -5.945 -6.715 403 HD12 LEU 52 2HD1 LEU 52 -3.193 -7.291 -5.983 404 HD13 LEU 52 3HD1 LEU 52 -3.921 -5.685 -6.103 405 HD21 LEU 52 3HD2 LEU 52 -0.410 -6.401 -5.084 406 HD22 LEU 52 1HD2 LEU 52 -0.751 -6.503 -3.345 407 HD23 LEU 52 2HD2 LEU 52 -1.376 -7.741 -4.440 408 H ASP 53 H ASP 53 -3.443 -5.326 -1.468 409 HA ASP 53 HA ASP 53 -0.991 -6.194 0.003 410 HB2 ASP 53 1HB ASP 53 -1.969 -4.199 1.063 411 HB3 ASP 53 2HB ASP 53 -3.549 -4.968 1.134 412 H LYS 54 H LYS 54 -0.991 -8.434 -0.034 413 HA LYS 54 HA LYS 54 -3.436 -9.884 -0.687 414 HB2 LYS 54 1HB LYS 54 -2.248 -11.884 -0.460 415 HB3 LYS 54 2HB LYS 54 -1.139 -10.723 -1.146 416 HG2 LYS 54 1HG LYS 54 0.172 -11.890 0.310 417 HG3 LYS 54 2HG LYS 54 -0.160 -10.385 1.178 418 HD2 LYS 54 1HD LYS 54 -0.115 -12.417 2.582 419 HD3 LYS 54 2HD LYS 54 -1.628 -11.526 2.709 420 HE2 LYS 54 1HE LYS 54 -2.690 -13.125 1.137 421 HE3 LYS 54 2HE LYS 54 -1.164 -14.037 1.048 422 HZ1 LYS 54 3HZ LYS 54 -2.712 -14.987 2.678 423 HZ2 LYS 54 1HZ LYS 54 -1.391 -14.387 3.483 424 HZ3 LYS 54 2HZ LYS 54 -2.820 -13.546 3.473 425 H VAL 55 H VAL 55 -4.810 -11.102 0.561 426 HA VAL 55 HA VAL 55 -5.598 -9.665 2.841 427 HB VAL 55 HB VAL 55 -7.122 -10.784 1.407 428 HG11 VAL 55 1HG1 VAL 55 -5.927 -12.967 1.096 429 HG12 VAL 55 2HG1 VAL 55 -6.349 -13.405 2.771 430 HG13 VAL 55 3HG1 VAL 55 -7.624 -13.186 1.558 431 HG21 VAL 55 3HG2 VAL 55 -8.783 -11.468 2.948 432 HG22 VAL 55 1HG2 VAL 55 -7.600 -11.755 4.233 433 HG23 VAL 55 2HG2 VAL 55 -7.887 -10.095 3.620 434 H LEU 56 H LEU 56 -5.978 -10.164 4.775 435 HA LEU 56 HA LEU 56 -3.675 -10.979 6.349 436 HB2 LEU 56 1HB LEU 56 -5.130 -9.006 6.797 437 HB3 LEU 56 2HB LEU 56 -6.471 -10.114 7.215 438 HG LEU 56 HG LEU 56 -5.122 -10.973 9.129 439 HD11 LEU 56 1HD1 LEU 56 -2.928 -10.741 8.665 440 HD12 LEU 56 2HD1 LEU 56 -3.024 -9.140 7.917 441 HD13 LEU 56 3HD1 LEU 56 -3.141 -9.310 9.709 442 HD21 LEU 56 3HD2 LEU 56 -6.721 -9.145 9.403 443 HD22 LEU 56 1HD2 LEU 56 -5.345 -9.009 10.521 444 HD23 LEU 56 2HD2 LEU 56 -5.419 -7.957 9.077 445 H1 MET 1 1H MET 1 11.148 10.207 3.843 446 H2 MET 1 2H MET 1 11.643 10.985 5.219 447 H3 MET 1 3H MET 1 12.345 9.546 4.772 448 HA MET 1 HA MET 1 13.808 11.359 4.296 449 HB2 MET 1 1HB MET 1 12.568 10.189 1.788 450 HB3 MET 1 2HB MET 1 14.104 11.077 1.899 451 HG2 MET 1 1HG MET 1 14.649 8.772 1.839 452 HG3 MET 1 2HG MET 1 15.039 9.422 3.423 453 HE1 MET 1 3HE MET 1 13.734 6.404 1.586 454 HE2 MET 1 1HE MET 1 14.881 6.362 2.805 455 HE3 MET 1 2HE MET 1 13.338 5.501 3.110 456 H VAL 2 H VAL 2 14.151 13.409 3.418 457 HA VAL 2 HA VAL 2 11.893 15.072 3.777 458 HB VAL 2 HB VAL 2 14.210 15.589 4.393 459 HG11 VAL 2 1HG1 VAL 2 15.365 14.820 2.341 460 HG12 VAL 2 2HG1 VAL 2 14.691 16.212 1.458 461 HG13 VAL 2 3HG1 VAL 2 15.813 16.463 2.814 462 HG21 VAL 2 3HG2 VAL 2 12.956 17.695 2.594 463 HG22 VAL 2 1HG2 VAL 2 12.466 17.317 4.268 464 HG23 VAL 2 2HG2 VAL 2 14.088 17.950 3.940 465 H GLN 3 H GLN 3 10.647 16.231 2.478 466 HA GLN 3 HA GLN 3 10.177 15.369 -0.216 467 HB2 GLN 3 1HB GLN 3 8.947 17.500 1.584 468 HB3 GLN 3 2HB GLN 3 8.313 17.099 -0.015 469 HG2 GLN 3 1HG GLN 3 8.580 15.023 2.187 470 HG3 GLN 3 2HG GLN 3 7.148 16.028 1.948 471 HE21 GLN 3 1HE2 GLN 3 5.601 15.361 0.377 472 HE22 GLN 3 2HE2 GLN 3 5.983 13.998 -0.686 473 H ASN 4 H ASN 4 12.633 16.377 -0.038 474 HA ASN 4 HA ASN 4 12.667 18.424 -2.164 475 HB2 ASN 4 1HB ASN 4 12.753 19.619 0.076 476 HB3 ASN 4 2HB ASN 4 14.305 18.820 0.387 477 HD21 ASN 4 1HD2 ASN 4 12.737 20.677 -2.330 478 HD22 ASN 4 2HD2 ASN 4 14.232 21.607 -2.585 479 H ASP 5 H ASP 5 13.443 15.486 -1.480 480 HA ASP 5 HA ASP 5 16.069 15.358 -2.851 481 HB2 ASP 5 1HB ASP 5 16.598 15.708 -0.441 482 HB3 ASP 5 2HB ASP 5 15.583 14.310 -0.032 483 H PHE 6 H PHE 6 13.618 13.575 -1.013 484 HA PHE 6 HA PHE 6 13.638 11.182 -2.651 485 HB2 PHE 6 1HB PHE 6 12.738 11.694 -0.230 486 HB3 PHE 6 2HB PHE 6 11.270 12.186 -1.061 487 HD1 PHE 6 2HD PHE 6 13.699 9.380 -0.596 488 HD2 PHE 6 1HD PHE 6 9.715 10.491 -1.812 489 HE1 PHE 6 2HE PHE 6 13.013 6.986 -0.575 490 HE2 PHE 6 1HE PHE 6 9.048 8.093 -1.797 491 HZ PHE 6 HZ PHE 6 10.688 6.346 -1.182 492 H VAL 7 H VAL 7 12.924 14.217 -3.630 493 HA VAL 7 HA VAL 7 10.369 13.617 -5.016 494 HB VAL 7 HB VAL 7 11.494 16.265 -4.058 495 HG11 VAL 7 1HG1 VAL 7 9.355 17.232 -4.803 496 HG12 VAL 7 2HG1 VAL 7 10.259 16.609 -6.174 497 HG13 VAL 7 3HG1 VAL 7 8.879 15.681 -5.536 498 HG21 VAL 7 3HG2 VAL 7 9.082 14.582 -3.235 499 HG22 VAL 7 1HG2 VAL 7 10.564 14.841 -2.293 500 HG23 VAL 7 2HG2 VAL 7 9.469 16.203 -2.617 501 H ASP 8 H ASP 8 10.806 12.957 -6.945 502 HA ASP 8 HA ASP 8 11.742 14.984 -8.864 503 HB2 ASP 8 1HB ASP 8 13.754 13.608 -8.689 504 HB3 ASP 8 2HB ASP 8 12.817 12.122 -8.869 505 H SER 9 H SER 9 10.884 11.588 -8.873 506 HA SER 9 HA SER 9 8.262 11.998 -10.195 507 HB2 SER 9 1HB SER 9 10.354 10.013 -11.161 508 HB3 SER 9 2HB SER 9 8.765 10.373 -11.876 509 HG SER 9 HG SER 9 11.106 12.068 -11.807 510 H TYR 10 H TYR 10 7.385 9.518 -10.394 511 HA TYR 10 HA TYR 10 6.163 9.183 -7.903 512 HB2 TYR 10 1HB TYR 10 6.637 7.090 -10.083 513 HB3 TYR 10 2HB TYR 10 5.507 6.942 -8.765 514 HD1 TYR 10 1HD TYR 10 6.244 9.207 -11.729 515 HD2 TYR 10 2HD TYR 10 3.310 7.508 -9.052 516 HE1 TYR 10 1HE TYR 10 4.427 10.205 -13.077 517 HE2 TYR 10 2HE TYR 10 1.507 8.434 -10.416 518 HH TYR 10 HH TYR 10 0.978 9.733 -12.293 519 H ASP 11 H ASP 11 6.346 7.643 -6.261 520 HA ASP 11 HA ASP 11 8.823 6.012 -5.949 521 HB2 ASP 11 1HB ASP 11 8.670 7.535 -4.162 522 HB3 ASP 11 2HB ASP 11 6.926 7.344 -4.011 523 H VAL 12 H VAL 12 8.648 3.889 -5.809 524 HA VAL 12 HA VAL 12 5.995 2.525 -5.657 525 HB VAL 12 HB VAL 12 8.326 1.855 -7.476 526 HG11 VAL 12 1HG1 VAL 12 7.466 -0.237 -6.538 527 HG12 VAL 12 2HG1 VAL 12 5.792 0.273 -6.851 528 HG13 VAL 12 3HG1 VAL 12 6.907 -0.043 -8.207 529 HG21 VAL 12 3HG2 VAL 12 6.682 3.605 -8.274 530 HG22 VAL 12 1HG2 VAL 12 6.714 2.129 -9.245 531 HG23 VAL 12 2HG2 VAL 12 5.400 2.400 -8.064 532 H THR 13 H THR 13 5.906 1.315 -3.905 533 HA THR 13 HA THR 13 8.445 0.248 -2.676 534 HB THR 13 HB THR 13 5.889 0.913 -1.194 535 HG1 THR 13 1HG THR 13 7.289 2.741 -2.037 536 HG21 THR 13 3HG2 THR 13 7.278 -0.830 -0.103 537 HG22 THR 13 1HG2 THR 13 8.705 0.232 -0.235 538 HG23 THR 13 2HG2 THR 13 7.338 0.707 0.791 539 H MET 14 H MET 14 8.520 -1.998 -2.562 540 HA MET 14 HA MET 14 5.938 -3.438 -2.824 541 HB2 MET 14 1HB MET 14 7.077 -2.981 -5.130 542 HB3 MET 14 2HB MET 14 8.203 -4.266 -4.655 543 HG2 MET 14 1HG MET 14 6.352 -5.831 -4.373 544 HG3 MET 14 2HG MET 14 5.171 -4.540 -4.646 545 HE1 MET 14 3HE MET 14 4.576 -3.970 -7.966 546 HE2 MET 14 1HE MET 14 5.142 -3.073 -6.542 547 HE3 MET 14 2HE MET 14 6.199 -3.243 -7.933 548 H LEU 15 H LEU 15 5.873 -5.503 -2.098 549 HA LEU 15 HA LEU 15 8.211 -6.489 -0.580 550 HB2 LEU 15 1HB LEU 15 6.327 -4.965 0.584 551 HB3 LEU 15 2HB LEU 15 5.475 -6.520 0.662 552 HG LEU 15 HG LEU 15 8.280 -5.966 1.707 553 HD11 LEU 15 1HD1 LEU 15 5.646 -6.272 3.185 554 HD12 LEU 15 2HD1 LEU 15 7.250 -5.981 3.905 555 HD13 LEU 15 3HD1 LEU 15 6.497 -4.732 2.889 556 HD21 LEU 15 3HD2 LEU 15 7.917 -8.058 3.000 557 HD22 LEU 15 1HD2 LEU 15 6.450 -8.382 2.046 558 HD23 LEU 15 2HD2 LEU 15 8.053 -8.338 1.264 559 H LEU 16 H LEU 16 8.569 -8.482 -1.006 560 HA LEU 16 HA LEU 16 6.419 -10.292 -2.042 561 HB2 LEU 16 1HB LEU 16 9.283 -9.971 -2.990 562 HB3 LEU 16 2HB LEU 16 8.103 -11.107 -3.658 563 HG LEU 16 HG LEU 16 7.901 -8.048 -3.785 564 HD11 LEU 16 1HD1 LEU 16 9.727 -8.849 -5.128 565 HD12 LEU 16 2HD1 LEU 16 8.675 -10.055 -5.912 566 HD13 LEU 16 3HD1 LEU 16 8.376 -8.307 -6.145 567 HD21 LEU 16 3HD2 LEU 16 6.206 -10.236 -5.044 568 HD22 LEU 16 1HD2 LEU 16 5.710 -8.995 -3.855 569 HD23 LEU 16 2HD2 LEU 16 6.147 -8.506 -5.492 570 H GLN 17 H GLN 17 7.041 -12.588 -1.877 571 HA GLN 17 HA GLN 17 8.554 -13.065 0.663 572 HB2 GLN 17 1HB GLN 17 6.171 -13.347 0.798 573 HB3 GLN 17 2HB GLN 17 6.197 -14.581 -0.460 574 HG2 GLN 17 1HG GLN 17 7.375 -16.114 0.948 575 HG3 GLN 17 2HG GLN 17 7.784 -14.837 2.113 576 HE21 GLN 17 1HE2 GLN 17 5.093 -16.878 0.883 577 HE22 GLN 17 2HE2 GLN 17 4.150 -16.602 2.373 578 H ASP 18 H ASP 18 9.799 -14.888 1.003 579 HA ASP 18 HA ASP 18 11.081 -15.996 -1.426 580 HB2 ASP 18 1HB ASP 18 13.121 -15.777 -0.238 581 HB3 ASP 18 2HB ASP 18 12.291 -14.229 -0.067 582 H ASP 19 H ASP 19 12.524 -17.933 -0.659 583 HA ASP 19 HA ASP 19 10.814 -20.101 -0.132 584 HB2 ASP 19 1HB ASP 19 12.907 -20.094 -1.443 585 HB3 ASP 19 2HB ASP 19 13.843 -19.870 0.043 586 H ASP 20 H ASP 20 12.720 -18.167 2.206 587 HA ASP 20 HA ASP 20 12.214 -20.140 4.367 588 HB2 ASP 20 1HB ASP 20 13.317 -17.324 4.529 589 HB3 ASP 20 2HB ASP 20 13.321 -18.527 5.814 590 H GLY 21 H GLY 21 10.302 -17.788 2.805 591 HA2 GLY 21 1HA GLY 21 8.297 -16.827 3.336 592 HA3 GLY 21 2HA GLY 21 8.236 -17.817 4.796 593 H LYS 22 H LYS 22 10.887 -15.556 4.215 594 HA LYS 22 HA LYS 22 10.081 -14.118 6.730 595 HB2 LYS 22 1HB LYS 22 12.381 -13.634 7.115 596 HB3 LYS 22 2HB LYS 22 12.193 -15.373 6.826 597 HG2 LYS 22 1HG LYS 22 12.942 -15.013 4.472 598 HG3 LYS 22 2HG LYS 22 13.252 -13.305 4.849 599 HD2 LYS 22 1HD LYS 22 14.841 -14.046 6.629 600 HD3 LYS 22 2HD LYS 22 14.588 -15.732 6.140 601 HE2 LYS 22 1HE LYS 22 15.635 -13.496 4.335 602 HE3 LYS 22 2HE LYS 22 16.653 -14.685 5.182 603 HZ1 LYS 22 3HZ LYS 22 16.205 -15.334 2.880 604 HZ2 LYS 22 1HZ LYS 22 15.623 -16.435 3.933 605 HZ3 LYS 22 2HZ LYS 22 14.580 -15.461 3.176 606 H GLN 23 H GLN 23 10.571 -13.670 3.395 607 HA GLN 23 HA GLN 23 9.677 -12.096 2.050 608 HB2 GLN 23 1HB GLN 23 8.831 -10.516 4.495 609 HB3 GLN 23 2HB GLN 23 8.315 -10.284 2.820 610 HG2 GLN 23 1HG GLN 23 7.303 -12.495 2.757 611 HG3 GLN 23 2HG GLN 23 7.794 -12.810 4.431 612 HE21 GLN 23 1HE2 GLN 23 5.208 -13.217 3.940 613 HE22 GLN 23 2HE2 GLN 23 4.298 -11.851 4.647 614 H TYR 24 H TYR 24 10.062 -10.079 1.056 615 HA TYR 24 HA TYR 24 12.414 -8.599 2.063 616 HB2 TYR 24 1HB TYR 24 13.620 -8.741 0.027 617 HB3 TYR 24 2HB TYR 24 13.369 -10.327 0.718 618 HD1 TYR 24 1HD TYR 24 11.650 -11.900 -0.324 619 HD2 TYR 24 2HD TYR 24 12.958 -8.260 -2.224 620 HE1 TYR 24 1HE TYR 24 10.959 -12.812 -2.541 621 HE2 TYR 24 2HE TYR 24 12.284 -9.185 -4.442 622 HH TYR 24 HH TYR 24 10.790 -12.436 -4.847 623 H TYR 25 H TYR 25 12.075 -6.655 2.084 624 HA TYR 25 HA TYR 25 9.969 -5.212 0.580 625 HB2 TYR 25 1HB TYR 25 9.993 -5.010 3.016 626 HB3 TYR 25 2HB TYR 25 11.722 -4.713 3.027 627 HD1 TYR 25 2HD TYR 25 12.672 -2.549 2.424 628 HD2 TYR 25 1HD TYR 25 8.415 -3.224 2.458 629 HE1 TYR 25 2HE TYR 25 12.275 -0.080 2.519 630 HE2 TYR 25 1HE TYR 25 8.025 -0.766 2.576 631 HH TYR 25 HH TYR 25 9.015 1.303 2.738 632 H GLU 26 H GLU 26 10.485 -3.649 -0.916 633 HA GLU 26 HA GLU 26 13.065 -2.327 -0.686 634 HB2 GLU 26 1HB GLU 26 13.491 -4.290 -2.246 635 HB3 GLU 26 2HB GLU 26 12.274 -3.630 -3.338 636 HG2 GLU 26 1HG GLU 26 14.555 -3.113 -4.068 637 HG3 GLU 26 2HG GLU 26 13.647 -1.644 -3.731 638 H TYR 27 H TYR 27 13.128 -0.293 -1.789 639 HA TYR 27 HA TYR 27 10.519 0.578 -2.962 640 HB2 TYR 27 1HB TYR 27 10.598 2.717 -2.021 641 HB3 TYR 27 2HB TYR 27 10.718 1.553 -0.715 642 HD1 TYR 27 1HD TYR 27 12.898 1.201 0.459 643 HD2 TYR 27 2HD TYR 27 12.374 4.268 -2.517 644 HE1 TYR 27 1HE TYR 27 14.972 2.349 1.272 645 HE2 TYR 27 2HE TYR 27 14.460 5.392 -1.733 646 HH TYR 27 HH TYR 27 16.190 5.329 -0.223 647 H HIS 28 H HIS 28 10.565 2.013 -4.578 648 HA HIS 28 HA HIS 28 13.076 2.299 -6.166 649 HB2 HIS 28 1HB HIS 28 10.422 1.108 -7.099 650 HB3 HIS 28 2HB HIS 28 11.880 1.303 -8.063 651 HD1 HIS 28 1HD HIS 28 13.936 -0.416 -7.384 652 HD2 HIS 28 2HD HIS 28 10.113 -1.077 -5.715 653 HE1 HIS 28 1HE HIS 28 13.889 -2.886 -6.590 654 HE2 HIS 28 2HE HIS 28 11.593 -3.251 -5.525 655 H LYS 29 H LYS 29 13.058 4.557 -6.003 656 HA LYS 29 HA LYS 29 10.596 5.975 -6.931 657 HB2 LYS 29 1HB LYS 29 11.096 7.770 -5.364 658 HB3 LYS 29 2HB LYS 29 10.910 6.221 -4.554 659 HG2 LYS 29 1HG LYS 29 12.650 7.265 -3.448 660 HG3 LYS 29 2HG LYS 29 13.422 6.011 -4.426 661 HD2 LYS 29 1HD LYS 29 14.195 7.686 -6.017 662 HD3 LYS 29 2HD LYS 29 13.263 8.971 -5.170 663 HE2 LYS 29 1HE LYS 29 14.647 8.668 -3.180 664 HE3 LYS 29 2HE LYS 29 15.488 7.299 -3.938 665 HZ1 LYS 29 3HZ LYS 29 16.933 8.808 -4.669 666 HZ2 LYS 29 1HZ LYS 29 15.796 9.331 -5.742 667 HZ3 LYS 29 2HZ LYS 29 15.979 10.106 -4.288 668 H GLY 30 H GLY 30 10.893 8.171 -7.716 669 HA2 GLY 30 1HA GLY 30 11.888 9.693 -9.196 670 HA3 GLY 30 2HA GLY 30 13.435 8.841 -9.054 671 H LEU 31 H LEU 31 10.247 7.509 -9.931 672 HA LEU 31 HA LEU 31 11.043 7.069 -12.724 673 HB2 LEU 31 1HB LEU 31 10.503 4.659 -12.593 674 HB3 LEU 31 2HB LEU 31 11.955 5.140 -11.762 675 HG LEU 31 HG LEU 31 10.893 4.934 -9.575 676 HD11 LEU 31 1HD1 LEU 31 8.539 5.421 -10.062 677 HD12 LEU 31 2HD1 LEU 31 8.414 3.930 -11.040 678 HD13 LEU 31 3HD1 LEU 31 8.733 3.855 -9.288 679 HD21 LEU 31 3HD2 LEU 31 10.629 2.483 -9.599 680 HD22 LEU 31 1HD2 LEU 31 10.480 2.502 -11.366 681 HD23 LEU 31 2HD2 LEU 31 12.008 2.995 -10.596 682 H SER 32 H SER 32 8.864 5.530 -13.568 683 HA SER 32 HA SER 32 6.554 7.249 -12.796 684 HB2 SER 32 1HB SER 32 6.207 7.789 -15.008 685 HB3 SER 32 2HB SER 32 7.949 7.964 -14.787 686 HG SER 32 HG SER 32 7.850 5.467 -15.476 687 H LEU 33 H LEU 33 4.552 6.517 -14.167 688 HA LEU 33 HA LEU 33 3.632 4.068 -13.066 689 HB2 LEU 33 1HB LEU 33 2.631 5.826 -15.337 690 HB3 LEU 33 2HB LEU 33 1.729 4.441 -14.728 691 HG LEU 33 HG LEU 33 2.595 6.735 -12.910 692 HD11 LEU 33 1HD1 LEU 33 0.291 7.595 -13.147 693 HD12 LEU 33 2HD1 LEU 33 1.159 7.627 -14.696 694 HD13 LEU 33 3HD1 LEU 33 -0.056 6.361 -14.375 695 HD21 LEU 33 3HD2 LEU 33 0.405 4.636 -12.695 696 HD22 LEU 33 1HD2 LEU 33 1.938 4.596 -11.825 697 HD23 LEU 33 2HD2 LEU 33 0.763 5.884 -11.479 698 H SER 34 H SER 34 5.032 4.706 -16.335 699 HA SER 34 HA SER 34 4.612 2.065 -17.337 700 HB2 SER 34 1HB SER 34 6.809 4.085 -17.991 701 HB3 SER 34 2HB SER 34 6.242 2.713 -18.995 702 HG SER 34 HG SER 34 4.123 3.795 -18.794 703 H ASP 35 H ASP 35 7.037 3.404 -15.162 704 HA ASP 35 HA ASP 35 8.866 1.121 -15.407 705 HB2 ASP 35 1HB ASP 35 8.825 3.381 -13.383 706 HB3 ASP 35 2HB ASP 35 10.179 2.324 -13.762 707 H PHE 36 H PHE 36 6.365 2.292 -13.181 708 HA PHE 36 HA PHE 36 6.486 0.208 -11.214 709 HB2 PHE 36 1HB PHE 36 5.119 2.065 -10.768 710 HB3 PHE 36 2HB PHE 36 4.312 2.004 -12.307 711 HD1 PHE 36 1HD PHE 36 4.773 -0.157 -9.266 712 HD2 PHE 36 2HD PHE 36 2.178 1.089 -12.472 713 HE1 PHE 36 1HE PHE 36 2.971 -1.598 -8.365 714 HE2 PHE 36 2HE PHE 36 0.368 -0.351 -11.566 715 HZ PHE 36 HZ PHE 36 0.769 -1.709 -9.519 716 H GLU 37 H GLU 37 4.666 0.363 -14.337 717 HA GLU 37 HA GLU 37 3.624 -2.256 -14.268 718 HB2 GLU 37 1HB GLU 37 4.332 -0.328 -16.498 719 HB3 GLU 37 2HB GLU 37 3.624 -1.917 -16.822 720 HG2 GLU 37 1HG GLU 37 1.655 -1.424 -15.567 721 HG3 GLU 37 2HG GLU 37 2.371 -0.007 -14.821 722 H VAL 38 H VAL 38 6.906 -1.230 -15.142 723 HA VAL 38 HA VAL 38 7.762 -3.823 -16.097 724 HB VAL 38 HB VAL 38 9.420 -1.593 -14.864 725 HG11 VAL 38 1HG1 VAL 38 10.254 -4.211 -16.205 726 HG12 VAL 38 2HG1 VAL 38 11.337 -2.811 -16.002 727 HG13 VAL 38 3HG1 VAL 38 10.689 -3.625 -14.578 728 HG21 VAL 38 3HG2 VAL 38 8.984 -2.451 -17.753 729 HG22 VAL 38 1HG2 VAL 38 8.373 -0.961 -17.007 730 HG23 VAL 38 2HG2 VAL 38 10.111 -1.184 -17.197 731 H LEU 39 H LEU 39 8.046 -2.327 -12.813 732 HA LEU 39 HA LEU 39 9.196 -4.666 -11.633 733 HB2 LEU 39 1HB LEU 39 9.268 -2.386 -10.642 734 HB3 LEU 39 2HB LEU 39 7.536 -2.480 -10.316 735 HG LEU 39 HG LEU 39 7.915 -4.368 -8.746 736 HD11 LEU 39 1HD1 LEU 39 9.934 -5.383 -9.672 737 HD12 LEU 39 2HD1 LEU 39 10.872 -3.906 -9.324 738 HD13 LEU 39 3HD1 LEU 39 10.209 -4.899 -7.998 739 HD21 LEU 39 3HD2 LEU 39 7.953 -2.019 -7.990 740 HD22 LEU 39 1HD2 LEU 39 8.974 -3.058 -6.987 741 HD23 LEU 39 2HD2 LEU 39 9.711 -1.974 -8.207 742 H TYR 40 H TYR 40 5.793 -3.630 -11.854 743 HA TYR 40 HA TYR 40 4.615 -5.843 -10.479 744 HB2 TYR 40 1HB TYR 40 3.457 -3.742 -11.047 745 HB3 TYR 40 2HB TYR 40 3.509 -4.155 -12.758 746 HD1 TYR 40 2HD TYR 40 2.230 -5.334 -9.442 747 HD2 TYR 40 1HD TYR 40 1.805 -5.515 -13.721 748 HE1 TYR 40 2HE TYR 40 0.072 -6.591 -9.181 749 HE2 TYR 40 1HE TYR 40 -0.313 -6.805 -13.460 750 HH TYR 40 HH TYR 40 -1.835 -7.692 -11.991 751 H GLY 41 H GLY 41 5.374 -5.470 -14.018 752 HA2 GLY 41 1HA GLY 41 4.488 -8.134 -14.683 753 HA3 GLY 41 2HA GLY 41 5.488 -7.058 -15.667 754 H ASN 42 H ASN 42 7.613 -6.886 -13.564 755 HA ASN 42 HA ASN 42 9.186 -9.213 -14.284 756 HB2 ASN 42 1HB ASN 42 10.081 -6.906 -14.044 757 HB3 ASN 42 2HB ASN 42 9.653 -6.914 -12.328 758 HD21 ASN 42 1HD2 ASN 42 11.758 -8.585 -14.744 759 HD22 ASN 42 2HD2 ASN 42 12.930 -9.010 -13.479 760 H THR 43 H THR 43 7.166 -8.443 -11.591 761 HA THR 43 HA THR 43 8.339 -9.630 -9.430 762 HB THR 43 HB THR 43 5.392 -9.496 -10.133 763 HG1 THR 43 1HG THR 43 6.691 -7.514 -9.827 764 HG21 THR 43 3HG2 THR 43 5.051 -9.615 -7.616 765 HG22 THR 43 1HG2 THR 43 5.510 -11.147 -8.363 766 HG23 THR 43 2HG2 THR 43 6.724 -10.194 -7.470 767 H ALA 44 H ALA 44 5.911 -11.464 -11.356 768 HA ALA 44 HA ALA 44 5.418 -13.677 -11.426 769 HB1 ALA 44 3HB ALA 44 7.129 -13.277 -13.145 770 HB2 ALA 44 1HB ALA 44 8.396 -13.794 -12.002 771 HB3 ALA 44 2HB ALA 44 7.158 -14.948 -12.549 772 H ASP 45 H ASP 45 5.913 -12.951 -8.664 773 HA ASP 45 HA ASP 45 6.782 -15.513 -7.462 774 HB2 ASP 45 1HB ASP 45 8.675 -13.773 -7.714 775 HB3 ASP 45 2HB ASP 45 7.793 -12.790 -6.536 776 H GLU 46 H GLU 46 6.481 -15.245 -4.985 777 HA GLU 46 HA GLU 46 3.725 -14.782 -4.321 778 HB2 GLU 46 1HB GLU 46 6.190 -15.138 -2.600 779 HB3 GLU 46 2HB GLU 46 4.516 -15.035 -1.975 780 HG2 GLU 46 1HG GLU 46 3.889 -17.019 -3.255 781 HG3 GLU 46 2HG GLU 46 5.511 -17.115 -3.951 782 H ILE 47 H ILE 47 3.193 -12.784 -4.960 783 HA ILE 47 HA ILE 47 4.124 -10.322 -3.829 784 HB ILE 47 HB ILE 47 3.088 -10.335 -5.932 785 HG12 ILE 47 1HG1 ILE 47 1.255 -8.723 -5.780 786 HG13 ILE 47 2HG1 ILE 47 1.096 -8.996 -4.044 787 HG21 ILE 47 1HG2 ILE 47 0.315 -11.035 -5.005 788 HG22 ILE 47 2HG2 ILE 47 1.120 -11.213 -6.587 789 HG23 ILE 47 3HG2 ILE 47 1.443 -12.366 -5.286 790 HD11 ILE 47 3HD1 ILE 47 3.726 -8.041 -5.271 791 HD12 ILE 47 1HD1 ILE 47 2.407 -6.915 -4.916 792 HD13 ILE 47 2HD1 ILE 47 3.138 -7.829 -3.586 793 H ILE 48 H ILE 48 3.613 -9.218 -2.090 794 HA ILE 48 HA ILE 48 1.632 -10.279 -0.171 795 HB ILE 48 HB ILE 48 4.389 -9.209 0.516 796 HG12 ILE 48 1HG1 ILE 48 4.646 -11.427 -0.457 797 HG13 ILE 48 2HG1 ILE 48 5.028 -11.382 1.256 798 HG21 ILE 48 1HG2 ILE 48 2.788 -8.676 2.251 799 HG22 ILE 48 2HG2 ILE 48 2.171 -10.329 2.280 800 HG23 ILE 48 3HG2 ILE 48 3.833 -9.972 2.815 801 HD11 ILE 48 3HD1 ILE 48 2.451 -12.507 0.046 802 HD12 ILE 48 1HD1 ILE 48 3.798 -13.451 0.685 803 HD13 ILE 48 2HD1 ILE 48 2.834 -12.457 1.788 804 H LYS 49 H LYS 49 3.762 -7.426 -0.933 805 HA LYS 49 HA LYS 49 1.326 -5.737 -0.723 806 HB2 LYS 49 1HB LYS 49 3.875 -5.042 0.798 807 HB3 LYS 49 2HB LYS 49 2.493 -3.979 0.550 808 HG2 LYS 49 1HG LYS 49 1.041 -5.525 1.748 809 HG3 LYS 49 2HG LYS 49 2.417 -6.605 2.058 810 HD2 LYS 49 1HD LYS 49 3.576 -4.685 3.215 811 HD3 LYS 49 2HD LYS 49 2.060 -3.768 3.095 812 HE2 LYS 49 1HE LYS 49 2.355 -6.496 4.443 813 HE3 LYS 49 2HE LYS 49 2.443 -4.943 5.294 814 HZ1 LYS 49 3HZ LYS 49 0.065 -6.310 4.264 815 HZ2 LYS 49 1HZ LYS 49 0.188 -5.162 5.495 816 HZ3 LYS 49 2HZ LYS 49 0.095 -4.812 3.864 817 H LEU 50 H LEU 50 1.374 -3.860 -1.768 818 HA LEU 50 HA LEU 50 3.655 -3.061 -3.495 819 HB2 LEU 50 1HB LEU 50 2.368 -4.724 -4.673 820 HB3 LEU 50 2HB LEU 50 0.849 -3.927 -4.299 821 HG LEU 50 HG LEU 50 2.992 -2.649 -6.037 822 HD11 LEU 50 1HD1 LEU 50 1.718 -3.529 -7.962 823 HD12 LEU 50 2HD1 LEU 50 2.348 -4.843 -6.955 824 HD13 LEU 50 3HD1 LEU 50 0.625 -4.396 -6.857 825 HD21 LEU 50 3HD2 LEU 50 0.678 -1.664 -7.014 826 HD22 LEU 50 1HD2 LEU 50 0.115 -1.983 -5.359 827 HD23 LEU 50 2HD2 LEU 50 1.504 -0.903 -5.658 828 H ARG 51 H ARG 51 3.784 -0.884 -3.571 829 HA ARG 51 HA ARG 51 1.357 0.773 -3.236 830 HB2 ARG 51 1HB ARG 51 2.534 0.539 -1.031 831 HB3 ARG 51 2HB ARG 51 3.975 1.233 -1.781 832 HG2 ARG 51 1HG ARG 51 2.894 3.370 -2.112 833 HG3 ARG 51 2HG ARG 51 1.323 2.710 -1.606 834 HD2 ARG 51 1HD ARG 51 2.193 2.247 0.635 835 HD3 ARG 51 2HD ARG 51 3.807 2.807 0.162 836 HE ARG 51 HE ARG 51 1.481 4.427 0.892 837 HH11 ARG 51 2HH2 ARG 51 4.563 4.654 -0.891 838 HH12 ARG 51 1HH2 ARG 51 4.552 6.384 -0.710 839 HH21 ARG 51 1HH1 ARG 51 1.770 6.661 1.216 840 HH22 ARG 51 2HH1 ARG 51 2.892 7.391 0.051 841 H LEU 52 H LEU 52 1.426 2.689 -4.306 842 HA LEU 52 HA LEU 52 3.923 3.618 -5.548 843 HB2 LEU 52 1HB LEU 52 2.952 2.364 -7.286 844 HB3 LEU 52 2HB LEU 52 1.362 3.048 -7.051 845 HG LEU 52 HG LEU 52 3.643 4.883 -7.826 846 HD11 LEU 52 1HD1 LEU 52 2.030 3.193 -9.785 847 HD12 LEU 52 2HD1 LEU 52 3.295 4.413 -10.153 848 HD13 LEU 52 3HD1 LEU 52 3.719 2.929 -9.310 849 HD21 LEU 52 3HD2 LEU 52 1.675 6.175 -7.518 850 HD22 LEU 52 1HD2 LEU 52 1.592 5.795 -9.247 851 HD23 LEU 52 2HD2 LEU 52 0.612 4.875 -8.088 852 H ASP 53 H ASP 53 4.008 5.854 -5.791 853 HA ASP 53 HA ASP 53 1.903 7.565 -4.620 854 HB2 ASP 53 1HB ASP 53 3.235 6.441 -2.806 855 HB3 ASP 53 2HB ASP 53 4.664 7.311 -3.338 856 H LYS 54 H LYS 54 1.769 9.013 -6.313 857 HA LYS 54 HA LYS 54 4.098 9.971 -7.827 858 HB2 LYS 54 1HB LYS 54 1.660 9.957 -8.621 859 HB3 LYS 54 2HB LYS 54 1.413 11.211 -7.417 860 HG2 LYS 54 1HG LYS 54 3.065 12.668 -8.553 861 HG3 LYS 54 2HG LYS 54 3.293 11.401 -9.786 862 HD2 LYS 54 1HD LYS 54 0.785 11.581 -10.260 863 HD3 LYS 54 2HD LYS 54 0.767 12.995 -9.169 864 HE2 LYS 54 1HE LYS 54 2.570 14.017 -10.615 865 HE3 LYS 54 2HE LYS 54 2.373 12.634 -11.728 866 HZ1 LYS 54 3HZ LYS 54 1.026 14.460 -12.488 867 HZ2 LYS 54 1HZ LYS 54 -0.018 13.308 -11.937 868 HZ3 LYS 54 2HZ LYS 54 0.300 14.620 -11.017 869 H VAL 55 H VAL 55 5.604 10.702 -6.591 870 HA VAL 55 HA VAL 55 5.488 11.864 -4.143 871 HB VAL 55 HB VAL 55 7.758 12.612 -4.471 872 HG11 VAL 55 1HG1 VAL 55 8.785 10.507 -4.975 873 HG12 VAL 55 2HG1 VAL 55 7.272 10.230 -4.091 874 HG13 VAL 55 3HG1 VAL 55 7.344 9.955 -5.845 875 HG21 VAL 55 3HG2 VAL 55 7.738 13.645 -6.640 876 HG22 VAL 55 1HG2 VAL 55 8.918 12.328 -6.641 877 HG23 VAL 55 2HG2 VAL 55 7.338 12.107 -7.426 878 H LEU 56 H LEU 56 5.517 13.689 -3.260 879 HA LEU 56 HA LEU 56 4.814 15.701 -2.605 880 HB2 LEU 56 1HB LEU 56 7.057 16.184 -3.472 881 HB3 LEU 56 2HB LEU 56 6.334 16.675 -5.030 882 HG LEU 56 HG LEU 56 5.127 18.532 -3.894 883 HD11 LEU 56 1HD1 LEU 56 6.501 17.379 -1.453 884 HD12 LEU 56 2HD1 LEU 56 5.972 19.100 -1.556 885 HD13 LEU 56 3HD1 LEU 56 4.783 17.791 -1.698 886 HD21 LEU 56 3HD2 LEU 56 8.111 18.521 -3.331 887 HD22 LEU 56 1HD2 LEU 56 7.323 18.877 -4.900 888 HD23 LEU 56 2HD2 LEU 56 7.031 19.937 -3.510 Start of MODEL 2 1 H1 MET 1 1H MET 1 -13.528 -15.959 6.024 2 H2 MET 1 2H MET 1 -14.676 -17.095 6.457 3 H3 MET 1 3H MET 1 -14.504 -15.708 7.344 4 HA MET 1 HA MET 1 -15.664 -16.025 4.688 5 HB2 MET 1 1HB MET 1 -17.018 -16.336 6.787 6 HB3 MET 1 2HB MET 1 -16.578 -14.679 7.244 7 HG2 MET 1 1HG MET 1 -17.423 -14.690 4.441 8 HG3 MET 1 2HG MET 1 -18.555 -15.632 5.406 9 HE1 MET 1 3HE MET 1 -20.283 -14.605 5.424 10 HE2 MET 1 1HE MET 1 -20.745 -13.077 6.133 11 HE3 MET 1 2HE MET 1 -20.029 -13.123 4.490 12 H VAL 2 H VAL 2 -15.199 -14.569 3.194 13 HA VAL 2 HA VAL 2 -13.362 -12.480 3.612 14 HB VAL 2 HB VAL 2 -13.688 -13.619 1.481 15 HG11 VAL 2 1HG1 VAL 2 -15.842 -14.004 0.835 16 HG12 VAL 2 2HG1 VAL 2 -16.489 -12.539 1.599 17 HG13 VAL 2 3HG1 VAL 2 -15.672 -12.421 0.041 18 HG21 VAL 2 3HG2 VAL 2 -13.411 -11.719 0.038 19 HG22 VAL 2 1HG2 VAL 2 -14.199 -10.638 1.205 20 HG23 VAL 2 2HG2 VAL 2 -12.622 -11.376 1.585 21 H GLN 3 H GLN 3 -13.482 -10.431 3.995 22 HA GLN 3 HA GLN 3 -14.187 -8.663 5.072 23 HB2 GLN 3 1HB GLN 3 -14.736 -8.216 2.690 24 HB3 GLN 3 2HB GLN 3 -16.387 -8.749 2.976 25 HG2 GLN 3 1HG GLN 3 -16.235 -6.336 2.877 26 HG3 GLN 3 2HG GLN 3 -16.790 -6.807 4.461 27 HE21 GLN 3 1HE2 GLN 3 -15.293 -4.362 3.335 28 HE22 GLN 3 2HE2 GLN 3 -13.949 -4.219 4.483 29 H ASN 4 H ASN 4 -14.839 -10.741 6.532 30 HA ASN 4 HA ASN 4 -17.333 -10.203 7.952 31 HB2 ASN 4 1HB ASN 4 -16.087 -12.276 8.294 32 HB3 ASN 4 2HB ASN 4 -14.635 -11.393 8.778 33 HD21 ASN 4 1HD2 ASN 4 -17.939 -12.258 9.688 34 HD22 ASN 4 2HD2 ASN 4 -17.698 -11.881 11.404 35 H ASP 5 H ASP 5 -13.959 -9.356 8.819 36 HA ASP 5 HA ASP 5 -14.691 -6.514 9.046 37 HB2 ASP 5 1HB ASP 5 -15.175 -7.484 11.275 38 HB3 ASP 5 2HB ASP 5 -13.512 -8.076 11.384 39 H PHE 6 H PHE 6 -13.385 -6.211 7.257 40 HA PHE 6 HA PHE 6 -11.569 -5.881 6.021 41 HB2 PHE 6 1HB PHE 6 -10.633 -5.310 8.688 42 HB3 PHE 6 2HB PHE 6 -9.343 -6.104 7.820 43 HD1 PHE 6 2HD PHE 6 -8.797 -5.221 5.415 44 HD2 PHE 6 1HD PHE 6 -11.087 -3.034 8.343 45 HE1 PHE 6 2HE PHE 6 -8.277 -3.107 4.234 46 HE2 PHE 6 1HE PHE 6 -10.547 -0.910 7.177 47 HZ PHE 6 HZ PHE 6 -9.145 -0.944 5.115 48 H VAL 7 H VAL 7 -12.182 -8.738 7.286 49 HA VAL 7 HA VAL 7 -9.872 -10.300 6.916 50 HB VAL 7 HB VAL 7 -12.832 -10.979 7.003 51 HG11 VAL 7 1HG1 VAL 7 -11.827 -12.891 5.924 52 HG12 VAL 7 2HG1 VAL 7 -10.470 -12.908 7.086 53 HG13 VAL 7 3HG1 VAL 7 -12.124 -13.305 7.607 54 HG21 VAL 7 3HG2 VAL 7 -11.751 -10.009 9.073 55 HG22 VAL 7 1HG2 VAL 7 -12.335 -11.658 9.310 56 HG23 VAL 7 2HG2 VAL 7 -10.595 -11.350 9.059 57 H ASP 8 H ASP 8 -9.064 -11.482 5.441 58 HA ASP 8 HA ASP 8 -8.374 -12.414 3.619 59 HB2 ASP 8 1HB ASP 8 -10.708 -13.530 4.179 60 HB3 ASP 8 2HB ASP 8 -11.149 -12.911 2.594 61 H SER 9 H SER 9 -8.891 -12.852 1.204 62 HA SER 9 HA SER 9 -8.412 -12.330 -0.865 63 HB2 SER 9 1HB SER 9 -9.708 -10.604 -1.975 64 HB3 SER 9 2HB SER 9 -10.696 -11.478 -0.796 65 HG SER 9 HG SER 9 -9.354 -9.258 0.188 66 H TYR 10 H TYR 10 -7.539 -10.582 -2.518 67 HA TYR 10 HA TYR 10 -5.429 -8.939 -1.359 68 HB2 TYR 10 1HB TYR 10 -6.638 -9.263 -4.125 69 HB3 TYR 10 2HB TYR 10 -5.541 -7.956 -3.734 70 HD1 TYR 10 1HD TYR 10 -5.804 -11.683 -3.939 71 HD2 TYR 10 2HD TYR 10 -3.245 -8.280 -3.299 72 HE1 TYR 10 1HE TYR 10 -3.785 -13.158 -4.115 73 HE2 TYR 10 2HE TYR 10 -1.254 -9.708 -3.511 74 HH TYR 10 HH TYR 10 -0.597 -12.091 -3.226 75 H ASP 11 H ASP 11 -5.685 -6.815 -0.972 76 HA ASP 11 HA ASP 11 -8.391 -5.521 -1.037 77 HB2 ASP 11 1HB ASP 11 -7.969 -6.723 1.075 78 HB3 ASP 11 2HB ASP 11 -6.384 -5.961 1.212 79 H VAL 12 H VAL 12 -8.253 -3.505 -1.819 80 HA VAL 12 HA VAL 12 -5.586 -2.244 -2.178 81 HB VAL 12 HB VAL 12 -7.888 -2.256 -4.161 82 HG11 VAL 12 1HG1 VAL 12 -6.355 -1.257 -5.672 83 HG12 VAL 12 2HG1 VAL 12 -6.052 -0.382 -4.185 84 HG13 VAL 12 3HG1 VAL 12 -4.945 -1.677 -4.690 85 HG21 VAL 12 3HG2 VAL 12 -5.412 -4.016 -4.102 86 HG22 VAL 12 1HG2 VAL 12 -7.094 -4.564 -4.019 87 HG23 VAL 12 2HG2 VAL 12 -6.486 -3.829 -5.511 88 H THR 13 H THR 13 -5.444 -0.203 -1.655 89 HA THR 13 HA THR 13 -7.869 1.560 -1.619 90 HB THR 13 HB THR 13 -5.305 1.954 -0.072 91 HG1 THR 13 1HG THR 13 -7.091 1.781 1.657 92 HG21 THR 13 3HG2 THR 13 -7.951 3.419 0.048 93 HG22 THR 13 1HG2 THR 13 -6.541 3.720 1.103 94 HG23 THR 13 2HG2 THR 13 -6.435 4.057 -0.628 95 H MET 14 H MET 14 -7.826 2.876 -3.378 96 HA MET 14 HA MET 14 -5.192 3.957 -4.250 97 HB2 MET 14 1HB MET 14 -6.048 2.070 -5.706 98 HB3 MET 14 2HB MET 14 -7.470 3.055 -6.074 99 HG2 MET 14 1HG MET 14 -6.103 4.723 -7.170 100 HG3 MET 14 2HG MET 14 -4.627 4.019 -6.510 101 HE1 MET 14 3HE MET 14 -6.846 3.170 -10.264 102 HE2 MET 14 1HE MET 14 -7.624 2.204 -8.998 103 HE3 MET 14 2HE MET 14 -7.472 3.939 -8.779 104 H LEU 15 H LEU 15 -5.315 6.125 -5.080 105 HA LEU 15 HA LEU 15 -7.956 7.304 -5.334 106 HB2 LEU 15 1HB LEU 15 -7.822 9.035 -3.709 107 HB3 LEU 15 2HB LEU 15 -7.536 7.516 -2.903 108 HG LEU 15 HG LEU 15 -4.951 8.233 -3.422 109 HD11 LEU 15 1HD1 LEU 15 -4.686 10.627 -2.991 110 HD12 LEU 15 2HD1 LEU 15 -5.700 10.428 -4.436 111 HD13 LEU 15 3HD1 LEU 15 -6.449 10.835 -2.891 112 HD21 LEU 15 3HD2 LEU 15 -4.913 9.135 -1.105 113 HD22 LEU 15 1HD2 LEU 15 -6.674 9.226 -1.104 114 HD23 LEU 15 2HD2 LEU 15 -5.868 7.638 -1.196 115 H LEU 16 H LEU 16 -8.017 9.261 -6.299 116 HA LEU 16 HA LEU 16 -5.712 9.858 -8.114 117 HB2 LEU 16 1HB LEU 16 -8.691 9.671 -8.721 118 HB3 LEU 16 2HB LEU 16 -7.449 10.116 -9.862 119 HG LEU 16 HG LEU 16 -8.014 8.037 -10.511 120 HD11 LEU 16 1HD1 LEU 16 -5.641 7.536 -8.697 121 HD12 LEU 16 2HD1 LEU 16 -6.155 6.504 -10.022 122 HD13 LEU 16 3HD1 LEU 16 -5.599 8.161 -10.369 123 HD21 LEU 16 3HD2 LEU 16 -9.367 7.388 -8.506 124 HD22 LEU 16 1HD2 LEU 16 -8.426 6.083 -9.258 125 HD23 LEU 16 2HD2 LEU 16 -7.858 6.815 -7.738 126 H GLN 17 H GLN 17 -6.222 11.902 -9.367 127 HA GLN 17 HA GLN 17 -7.635 13.925 -7.684 128 HB2 GLN 17 1HB GLN 17 -5.151 14.117 -7.878 129 HB3 GLN 17 2HB GLN 17 -5.351 14.410 -9.614 130 HG2 GLN 17 1HG GLN 17 -6.685 16.438 -9.103 131 HG3 GLN 17 2HG GLN 17 -6.582 16.086 -7.370 132 HE21 GLN 17 1HE2 GLN 17 -4.846 17.372 -10.161 133 HE22 GLN 17 2HE2 GLN 17 -3.427 17.831 -9.206 134 H ASP 18 H ASP 18 -9.113 15.191 -8.558 135 HA ASP 18 HA ASP 18 -10.326 14.522 -11.139 136 HB2 ASP 18 1HB ASP 18 -11.524 14.912 -8.913 137 HB3 ASP 18 2HB ASP 18 -11.102 16.616 -9.059 138 H ASP 19 H ASP 19 -11.018 16.350 -12.518 139 HA ASP 19 HA ASP 19 -8.892 18.027 -13.542 140 HB2 ASP 19 1HB ASP 19 -10.762 17.000 -14.870 141 HB3 ASP 19 2HB ASP 19 -11.909 18.020 -13.998 142 H ASP 20 H ASP 20 -11.610 18.436 -11.268 143 HA ASP 20 HA ASP 20 -11.292 21.325 -11.020 144 HB2 ASP 20 1HB ASP 20 -13.336 19.887 -10.504 145 HB3 ASP 20 2HB ASP 20 -12.468 19.336 -9.059 146 H GLY 21 H GLY 21 -9.265 18.815 -10.017 147 HA2 GLY 21 1HA GLY 21 -7.234 19.004 -8.912 148 HA3 GLY 21 2HA GLY 21 -7.709 20.573 -8.244 149 H LYS 22 H LYS 22 -10.141 18.345 -7.653 150 HA LYS 22 HA LYS 22 -9.385 18.011 -4.794 151 HB2 LYS 22 1HB LYS 22 -11.879 17.258 -6.402 152 HB3 LYS 22 2HB LYS 22 -11.675 16.960 -4.668 153 HG2 LYS 22 1HG LYS 22 -11.319 19.422 -4.315 154 HG3 LYS 22 2HG LYS 22 -11.683 19.694 -6.034 155 HD2 LYS 22 1HD LYS 22 -13.925 18.702 -5.738 156 HD3 LYS 22 2HD LYS 22 -13.538 18.290 -4.061 157 HE2 LYS 22 1HE LYS 22 -14.890 20.226 -3.961 158 HE3 LYS 22 2HE LYS 22 -13.238 20.740 -3.560 159 HZ1 LYS 22 3HZ LYS 22 -14.113 20.946 -6.366 160 HZ2 LYS 22 1HZ LYS 22 -14.612 22.114 -5.308 161 HZ3 LYS 22 2HZ LYS 22 -13.031 21.749 -5.687 162 H GLN 23 H GLN 23 -9.512 15.865 -3.791 163 HA GLN 23 HA GLN 23 -8.470 13.738 -5.569 164 HB2 GLN 23 1HB GLN 23 -8.674 14.072 -2.564 165 HB3 GLN 23 2HB GLN 23 -8.490 12.468 -3.274 166 HG2 GLN 23 1HG GLN 23 -6.310 13.252 -2.701 167 HG3 GLN 23 2HG GLN 23 -6.440 13.181 -4.460 168 HE21 GLN 23 1HE2 GLN 23 -5.304 14.935 -5.378 169 HE22 GLN 23 2HE2 GLN 23 -5.329 16.528 -4.645 170 H TYR 24 H TYR 24 -9.412 11.710 -5.757 171 HA TYR 24 HA TYR 24 -11.946 11.232 -4.356 172 HB2 TYR 24 1HB TYR 24 -13.121 10.343 -6.260 173 HB3 TYR 24 2HB TYR 24 -12.749 12.038 -6.481 174 HD1 TYR 24 1HD TYR 24 -11.117 12.786 -8.157 175 HD2 TYR 24 2HD TYR 24 -12.182 8.626 -7.745 176 HE1 TYR 24 1HE TYR 24 -10.298 12.337 -10.468 177 HE2 TYR 24 2HE TYR 24 -11.343 8.175 -10.029 178 HH TYR 24 HH TYR 24 -10.490 9.125 -11.955 179 H TYR 25 H TYR 25 -12.429 9.097 -4.017 180 HA TYR 25 HA TYR 25 -9.915 7.576 -3.642 181 HB2 TYR 25 1HB TYR 25 -10.968 8.974 -1.823 182 HB3 TYR 25 2HB TYR 25 -12.389 7.949 -1.916 183 HD1 TYR 25 2HD TYR 25 -8.868 8.174 -0.860 184 HD2 TYR 25 1HD TYR 25 -12.410 5.727 -0.973 185 HE1 TYR 25 2HE TYR 25 -7.943 6.772 0.982 186 HE2 TYR 25 1HE TYR 25 -11.510 4.349 0.903 187 HH TYR 25 HH TYR 25 -8.662 5.132 2.697 188 H GLU 26 H GLU 26 -9.844 5.426 -3.821 189 HA GLU 26 HA GLU 26 -12.216 3.884 -4.761 190 HB2 GLU 26 1HB GLU 26 -9.489 4.307 -6.049 191 HB3 GLU 26 2HB GLU 26 -10.540 2.972 -6.482 192 HG2 GLU 26 1HG GLU 26 -11.271 5.927 -6.746 193 HG3 GLU 26 2HG GLU 26 -10.646 4.909 -8.041 194 H TYR 27 H TYR 27 -12.084 3.153 -2.503 195 HA TYR 27 HA TYR 27 -9.959 1.180 -1.902 196 HB2 TYR 27 1HB TYR 27 -10.842 2.422 -0.052 197 HB3 TYR 27 2HB TYR 27 -12.507 1.996 -0.470 198 HD1 TYR 27 2HD TYR 27 -9.196 0.433 0.387 199 HD2 TYR 27 1HD TYR 27 -13.485 0.097 0.552 200 HE1 TYR 27 2HE TYR 27 -8.968 -1.643 1.742 201 HE2 TYR 27 1HE TYR 27 -13.259 -1.965 1.946 202 HH TYR 27 HH TYR 27 -10.153 -3.616 2.520 203 H HIS 28 H HIS 28 -10.168 -0.969 -2.295 204 HA HIS 28 HA HIS 28 -12.692 -2.155 -3.286 205 HB2 HIS 28 1HB HIS 28 -10.096 -1.909 -4.865 206 HB3 HIS 28 2HB HIS 28 -11.343 -3.099 -5.244 207 HD1 HIS 28 1HD HIS 28 -13.735 -2.125 -6.099 208 HD2 HIS 28 2HD HIS 28 -10.558 0.608 -5.604 209 HE1 HIS 28 1HE HIS 28 -14.458 0.084 -7.268 210 HE2 HIS 28 2HE HIS 28 -12.556 1.729 -6.972 211 H LYS 29 H LYS 29 -12.919 -3.988 -2.267 212 HA LYS 29 HA LYS 29 -10.547 -5.650 -1.529 213 HB2 LYS 29 1HB LYS 29 -11.684 -4.469 0.391 214 HB3 LYS 29 2HB LYS 29 -13.184 -5.318 -0.022 215 HG2 LYS 29 1HG LYS 29 -12.089 -7.496 0.435 216 HG3 LYS 29 2HG LYS 29 -10.545 -6.655 0.704 217 HD2 LYS 29 1HD LYS 29 -11.764 -5.425 2.615 218 HD3 LYS 29 2HD LYS 29 -13.136 -6.487 2.301 219 HE2 LYS 29 1HE LYS 29 -11.807 -7.335 4.144 220 HE3 LYS 29 2HE LYS 29 -11.717 -8.462 2.786 221 HZ1 LYS 29 3HZ LYS 29 -9.636 -6.417 2.855 222 HZ2 LYS 29 1HZ LYS 29 -9.599 -7.556 4.079 223 HZ3 LYS 29 2HZ LYS 29 -9.545 -8.072 2.525 224 H GLY 30 H GLY 30 -10.997 -7.935 -1.459 225 HA2 GLY 30 1HA GLY 30 -12.394 -9.829 -1.675 226 HA3 GLY 30 2HA GLY 30 -13.665 -8.824 -2.378 227 H LEU 31 H LEU 31 -10.326 -8.935 -3.500 228 HA LEU 31 HA LEU 31 -11.173 -10.185 -6.061 229 HB2 LEU 31 1HB LEU 31 -10.204 -8.289 -7.241 230 HB3 LEU 31 2HB LEU 31 -11.535 -7.840 -6.218 231 HG LEU 31 HG LEU 31 -9.419 -7.289 -4.524 232 HD11 LEU 31 1HD1 LEU 31 -7.729 -6.046 -5.817 233 HD12 LEU 31 2HD1 LEU 31 -7.656 -7.772 -6.174 234 HD13 LEU 31 3HD1 LEU 31 -8.437 -6.654 -7.328 235 HD21 LEU 31 3HD2 LEU 31 -11.238 -5.714 -6.198 236 HD22 LEU 31 1HD2 LEU 31 -10.523 -5.358 -4.604 237 HD23 LEU 31 2HD2 LEU 31 -9.664 -4.923 -6.095 238 H SER 32 H SER 32 -8.993 -9.949 -7.517 239 HA SER 32 HA SER 32 -6.615 -10.535 -5.966 240 HB2 SER 32 1HB SER 32 -6.048 -12.607 -6.810 241 HB3 SER 32 2HB SER 32 -7.774 -12.785 -6.478 242 HG SER 32 HG SER 32 -8.204 -12.572 -8.648 243 H LEU 33 H LEU 33 -4.811 -11.052 -7.924 244 HA LEU 33 HA LEU 33 -4.325 -8.379 -8.574 245 HB2 LEU 33 1HB LEU 33 -3.027 -10.915 -9.646 246 HB3 LEU 33 2HB LEU 33 -2.436 -9.301 -9.943 247 HG LEU 33 HG LEU 33 -1.106 -10.124 -8.247 248 HD11 LEU 33 1HD1 LEU 33 -1.415 -8.679 -6.336 249 HD12 LEU 33 2HD1 LEU 33 -1.840 -7.797 -7.817 250 HD13 LEU 33 3HD1 LEU 33 -3.116 -8.416 -6.735 251 HD21 LEU 33 3HD2 LEU 33 -1.718 -11.196 -6.284 252 HD22 LEU 33 1HD2 LEU 33 -3.448 -10.853 -6.489 253 HD23 LEU 33 2HD2 LEU 33 -2.609 -12.011 -7.568 254 H SER 34 H SER 34 -5.731 -10.856 -10.753 255 HA SER 34 HA SER 34 -5.517 -9.265 -13.112 256 HB2 SER 34 1HB SER 34 -7.436 -11.488 -12.319 257 HB3 SER 34 2HB SER 34 -7.305 -10.775 -13.938 258 HG SER 34 HG SER 34 -5.723 -12.639 -12.835 259 H ASP 35 H ASP 35 -7.765 -9.077 -10.406 260 HA ASP 35 HA ASP 35 -9.627 -7.274 -11.844 261 HB2 ASP 35 1HB ASP 35 -9.558 -8.787 -9.290 262 HB3 ASP 35 2HB ASP 35 -10.207 -7.147 -9.148 263 H PHE 36 H PHE 36 -6.879 -7.137 -9.594 264 HA PHE 36 HA PHE 36 -7.037 -4.277 -9.146 265 HB2 PHE 36 1HB PHE 36 -5.641 -5.507 -7.664 266 HB3 PHE 36 2HB PHE 36 -4.778 -6.281 -8.993 267 HD1 PHE 36 2HD PHE 36 -5.561 -2.793 -7.829 268 HD2 PHE 36 1HD PHE 36 -2.682 -5.467 -9.615 269 HE1 PHE 36 2HE PHE 36 -4.011 -0.907 -8.144 270 HE2 PHE 36 1HE PHE 36 -1.080 -3.589 -9.839 271 HZ PHE 36 HZ PHE 36 -1.742 -1.299 -9.127 272 H GLU 37 H GLU 37 -5.419 -6.272 -11.688 273 HA GLU 37 HA GLU 37 -4.277 -4.124 -13.135 274 HB2 GLU 37 1HB GLU 37 -5.253 -6.899 -13.880 275 HB3 GLU 37 2HB GLU 37 -4.569 -5.802 -15.087 276 HG2 GLU 37 1HG GLU 37 -2.491 -5.594 -13.874 277 HG3 GLU 37 2HG GLU 37 -3.142 -6.454 -12.483 278 H VAL 38 H VAL 38 -7.633 -5.205 -13.062 279 HA VAL 38 HA VAL 38 -8.474 -3.430 -15.249 280 HB VAL 38 HB VAL 38 -10.082 -4.849 -13.092 281 HG11 VAL 38 1HG1 VAL 38 -11.427 -3.947 -15.609 282 HG12 VAL 38 2HG1 VAL 38 -12.034 -4.047 -13.938 283 HG13 VAL 38 3HG1 VAL 38 -11.069 -2.661 -14.459 284 HG21 VAL 38 3HG2 VAL 38 -9.670 -5.445 -16.060 285 HG22 VAL 38 1HG2 VAL 38 -8.994 -6.381 -14.723 286 HG23 VAL 38 2HG2 VAL 38 -10.744 -6.342 -14.959 287 H LEU 39 H LEU 39 -8.607 -3.279 -11.633 288 HA LEU 39 HA LEU 39 -9.785 -0.720 -11.428 289 HB2 LEU 39 1HB LEU 39 -9.508 -2.184 -9.528 290 HB3 LEU 39 2HB LEU 39 -7.752 -2.147 -9.688 291 HG LEU 39 HG LEU 39 -7.660 0.180 -9.048 292 HD11 LEU 39 1HD1 LEU 39 -10.699 -0.040 -8.756 293 HD12 LEU 39 2HD1 LEU 39 -9.728 1.287 -8.075 294 HD13 LEU 39 3HD1 LEU 39 -9.825 1.076 -9.822 295 HD21 LEU 39 3HD2 LEU 39 -7.546 -1.585 -7.398 296 HD22 LEU 39 1HD2 LEU 39 -8.290 -0.127 -6.702 297 HD23 LEU 39 2HD2 LEU 39 -9.299 -1.530 -7.159 298 H TYR 40 H TYR 40 -6.293 -1.506 -11.568 299 HA TYR 40 HA TYR 40 -5.325 1.184 -11.816 300 HB2 TYR 40 1HB TYR 40 -3.888 -0.655 -11.175 301 HB3 TYR 40 2HB TYR 40 -4.203 -1.509 -12.679 302 HD1 TYR 40 2HD TYR 40 -2.589 1.524 -11.215 303 HD2 TYR 40 1HD TYR 40 -2.975 -1.011 -14.687 304 HE1 TYR 40 2HE TYR 40 -0.673 2.707 -12.309 305 HE2 TYR 40 1HE TYR 40 -1.092 0.176 -15.768 306 HH TYR 40 HH TYR 40 0.587 1.713 -15.582 307 H GLY 41 H GLY 41 -5.893 -1.320 -14.403 308 HA2 GLY 41 1HA GLY 41 -5.170 0.286 -16.567 309 HA3 GLY 41 2HA GLY 41 -6.194 -1.157 -16.626 310 H ASN 42 H ASN 42 -8.258 0.295 -14.881 311 HA ASN 42 HA ASN 42 -9.377 1.949 -17.094 312 HB2 ASN 42 1HB ASN 42 -10.468 -0.226 -16.236 313 HB3 ASN 42 2HB ASN 42 -10.894 0.709 -14.789 314 HD21 ASN 42 1HD2 ASN 42 -13.159 0.584 -15.296 315 HD22 ASN 42 2HD2 ASN 42 -13.775 1.522 -16.667 316 H THR 43 H THR 43 -8.214 2.328 -13.891 317 HA THR 43 HA THR 43 -9.779 4.872 -13.576 318 HB THR 43 HB THR 43 -9.035 3.340 -11.141 319 HG1 THR 43 1HG THR 43 -9.731 1.665 -12.197 320 HG21 THR 43 3HG2 THR 43 -11.296 4.042 -10.438 321 HG22 THR 43 1HG2 THR 43 -10.319 5.425 -10.967 322 HG23 THR 43 2HG2 THR 43 -11.574 4.758 -12.043 323 H ALA 44 H ALA 44 -6.552 3.605 -13.578 324 HA ALA 44 HA ALA 44 -5.452 5.446 -11.666 325 HB1 ALA 44 3HB ALA 44 -3.306 4.725 -12.545 326 HB2 ALA 44 1HB ALA 44 -4.374 3.340 -12.235 327 HB3 ALA 44 2HB ALA 44 -4.114 3.909 -13.904 328 H ASP 45 H ASP 45 -6.739 7.269 -12.485 329 HA ASP 45 HA ASP 45 -5.488 8.739 -14.764 330 HB2 ASP 45 1HB ASP 45 -7.773 7.936 -15.134 331 HB3 ASP 45 2HB ASP 45 -8.319 8.770 -13.672 332 H GLU 46 H GLU 46 -4.064 10.060 -13.931 333 HA GLU 46 HA GLU 46 -2.904 11.452 -12.572 334 HB2 GLU 46 1HB GLU 46 -5.555 12.692 -11.766 335 HB3 GLU 46 2HB GLU 46 -3.946 13.283 -11.378 336 HG2 GLU 46 1HG GLU 46 -4.533 14.592 -13.187 337 HG3 GLU 46 2HG GLU 46 -3.468 13.370 -13.885 338 H ILE 47 H ILE 47 -2.652 9.244 -11.698 339 HA ILE 47 HA ILE 47 -3.738 8.576 -9.143 340 HB ILE 47 HB ILE 47 -2.951 6.875 -10.649 341 HG12 ILE 47 1HG1 ILE 47 -1.065 5.799 -9.082 342 HG13 ILE 47 2HG1 ILE 47 -1.512 7.070 -7.976 343 HG21 ILE 47 1HG2 ILE 47 -1.195 7.855 -11.919 344 HG22 ILE 47 2HG2 ILE 47 -0.216 8.172 -10.455 345 HG23 ILE 47 3HG2 ILE 47 -0.506 6.514 -11.026 346 HD11 ILE 47 3HD1 ILE 47 -3.357 4.979 -9.210 347 HD12 ILE 47 1HD1 ILE 47 -2.720 5.029 -7.551 348 HD13 ILE 47 2HD1 ILE 47 -3.885 6.259 -8.070 349 H ILE 48 H ILE 48 -3.129 8.851 -7.179 350 HA ILE 48 HA ILE 48 -0.900 10.695 -6.527 351 HB ILE 48 HB ILE 48 -3.623 10.423 -5.225 352 HG12 ILE 48 1HG1 ILE 48 -3.985 11.492 -7.331 353 HG13 ILE 48 2HG1 ILE 48 -4.181 12.660 -6.045 354 HG21 ILE 48 1HG2 ILE 48 -2.995 12.449 -3.940 355 HG22 ILE 48 2HG2 ILE 48 -1.936 11.083 -3.597 356 HG23 ILE 48 3HG2 ILE 48 -1.368 12.380 -4.660 357 HD11 ILE 48 3HD1 ILE 48 -2.915 13.353 -8.215 358 HD12 ILE 48 1HD1 ILE 48 -2.232 13.855 -6.646 359 HD13 ILE 48 2HD1 ILE 48 -1.541 12.481 -7.552 360 H LYS 49 H LYS 49 -3.074 8.135 -5.160 361 HA LYS 49 HA LYS 49 -0.658 6.879 -3.973 362 HB2 LYS 49 1HB LYS 49 -3.259 7.331 -2.454 363 HB3 LYS 49 2HB LYS 49 -1.941 6.290 -1.934 364 HG2 LYS 49 1HG LYS 49 -0.420 8.220 -1.879 365 HG3 LYS 49 2HG LYS 49 -1.754 9.298 -2.312 366 HD2 LYS 49 1HD LYS 49 -3.000 8.578 -0.299 367 HD3 LYS 49 2HD LYS 49 -1.672 7.525 0.179 368 HE2 LYS 49 1HE LYS 49 -1.270 10.491 -0.334 369 HE3 LYS 49 2HE LYS 49 -1.886 9.924 1.226 370 HZ1 LYS 49 3HZ LYS 49 0.565 8.681 0.149 371 HZ2 LYS 49 1HZ LYS 49 0.710 10.151 0.683 372 HZ3 LYS 49 2HZ LYS 49 0.148 9.005 1.746 373 H LEU 50 H LEU 50 -0.712 4.747 -3.794 374 HA LEU 50 HA LEU 50 -3.117 3.117 -4.343 375 HB2 LEU 50 1HB LEU 50 -2.350 3.193 -6.524 376 HB3 LEU 50 2HB LEU 50 -0.675 3.382 -6.059 377 HG LEU 50 HG LEU 50 -0.578 0.954 -5.448 378 HD11 LEU 50 1HD1 LEU 50 -2.548 -0.340 -6.667 379 HD12 LEU 50 2HD1 LEU 50 -2.687 0.094 -4.978 380 HD13 LEU 50 3HD1 LEU 50 -3.502 1.096 -6.216 381 HD21 LEU 50 3HD2 LEU 50 0.117 1.794 -7.658 382 HD22 LEU 50 1HD2 LEU 50 -0.579 0.178 -7.764 383 HD23 LEU 50 2HD2 LEU 50 -1.544 1.592 -8.265 384 H ARG 51 H ARG 51 -3.184 1.552 -2.924 385 HA ARG 51 HA ARG 51 -0.762 0.464 -1.554 386 HB2 ARG 51 1HB ARG 51 -1.924 2.421 -0.380 387 HB3 ARG 51 2HB ARG 51 -3.348 1.422 -0.256 388 HG2 ARG 51 1HG ARG 51 -0.647 0.778 0.976 389 HG3 ARG 51 2HG ARG 51 -1.969 1.582 1.811 390 HD2 ARG 51 1HD ARG 51 -1.934 -1.271 0.784 391 HD3 ARG 51 2HD ARG 51 -1.841 -0.748 2.462 392 HE ARG 51 HE ARG 51 -4.220 0.340 1.786 393 HH11 ARG 51 2HH2 ARG 51 -3.070 -2.991 1.435 394 HH12 ARG 51 1HH2 ARG 51 -4.674 -3.488 0.828 395 HH21 ARG 51 2HH1 ARG 51 -6.266 -0.496 1.272 396 HH22 ARG 51 1HH1 ARG 51 -6.432 -2.261 1.377 397 H LEU 52 H LEU 52 -0.822 -1.673 -2.072 398 HA LEU 52 HA LEU 52 -3.443 -3.093 -1.936 399 HB2 LEU 52 1HB LEU 52 -2.981 -2.834 -4.226 400 HB3 LEU 52 2HB LEU 52 -1.305 -3.291 -4.069 401 HG LEU 52 HG LEU 52 -3.510 -5.291 -3.438 402 HD11 LEU 52 1HD1 LEU 52 -3.594 -5.977 -5.716 403 HD12 LEU 52 2HD1 LEU 52 -3.735 -4.214 -5.783 404 HD13 LEU 52 3HD1 LEU 52 -2.185 -4.979 -6.165 405 HD21 LEU 52 3HD2 LEU 52 -1.771 -6.918 -4.300 406 HD22 LEU 52 1HD2 LEU 52 -0.630 -5.577 -4.438 407 HD23 LEU 52 2HD2 LEU 52 -1.221 -6.082 -2.850 408 H ASP 53 H ASP 53 -3.464 -4.983 -0.949 409 HA ASP 53 HA ASP 53 -0.951 -6.257 -0.026 410 HB2 ASP 53 1HB ASP 53 -3.351 -5.442 1.673 411 HB3 ASP 53 2HB ASP 53 -2.257 -6.734 2.136 412 H LYS 54 H LYS 54 -1.078 -8.426 -0.285 413 HA LYS 54 HA LYS 54 -3.673 -9.856 -0.490 414 HB2 LYS 54 1HB LYS 54 -1.417 -10.763 -1.347 415 HB3 LYS 54 2HB LYS 54 -0.951 -10.841 0.316 416 HG2 LYS 54 1HG LYS 54 -3.562 -12.128 -0.041 417 HG3 LYS 54 2HG LYS 54 -2.396 -12.782 -1.200 418 HD2 LYS 54 1HD LYS 54 -0.825 -13.327 0.614 419 HD3 LYS 54 2HD LYS 54 -1.908 -12.553 1.788 420 HE2 LYS 54 1HE LYS 54 -3.625 -14.333 0.565 421 HE3 LYS 54 2HE LYS 54 -2.100 -15.236 0.483 422 HZ1 LYS 54 3HZ LYS 54 -3.029 -13.896 2.953 423 HZ2 LYS 54 1HZ LYS 54 -3.528 -15.367 2.681 424 HZ3 LYS 54 2HZ LYS 54 -1.894 -15.102 2.833 425 H VAL 55 H VAL 55 -4.975 -9.472 1.163 426 HA VAL 55 HA VAL 55 -3.986 -9.232 3.929 427 HB VAL 55 HB VAL 55 -6.650 -9.173 2.580 428 HG11 VAL 55 1HG1 VAL 55 -6.467 -9.287 5.552 429 HG12 VAL 55 2HG1 VAL 55 -7.882 -8.940 4.517 430 HG13 VAL 55 3HG1 VAL 55 -7.148 -10.522 4.429 431 HG21 VAL 55 3HG2 VAL 55 -5.289 -7.248 4.488 432 HG22 VAL 55 1HG2 VAL 55 -5.255 -7.117 2.723 433 HG23 VAL 55 2HG2 VAL 55 -6.794 -6.956 3.590 434 H LEU 56 H LEU 56 -4.870 -10.628 5.383 435 HA LEU 56 HA LEU 56 -3.316 -12.966 5.129 436 HB2 LEU 56 1HB LEU 56 -3.617 -11.636 7.192 437 HB3 LEU 56 2HB LEU 56 -5.279 -12.217 7.333 438 HG LEU 56 HG LEU 56 -4.390 -14.558 7.588 439 HD11 LEU 56 1HD1 LEU 56 -1.694 -13.112 7.632 440 HD12 LEU 56 2HD1 LEU 56 -1.954 -14.802 8.119 441 HD13 LEU 56 3HD1 LEU 56 -2.212 -14.327 6.438 442 HD21 LEU 56 3HD2 LEU 56 -3.507 -14.204 9.870 443 HD22 LEU 56 1HD2 LEU 56 -3.246 -12.481 9.512 444 HD23 LEU 56 2HD2 LEU 56 -4.896 -13.147 9.557 445 H1 MET 1 1H MET 1 19.251 20.366 -4.943 446 H2 MET 1 2H MET 1 19.345 18.755 -4.574 447 H3 MET 1 3H MET 1 19.586 19.877 -3.400 448 HA MET 1 HA MET 1 17.301 20.612 -3.572 449 HB2 MET 1 1HB MET 1 16.998 20.035 -5.951 450 HB3 MET 1 2HB MET 1 17.104 18.306 -5.564 451 HG2 MET 1 1HG MET 1 14.765 19.088 -5.825 452 HG3 MET 1 2HG MET 1 15.080 18.438 -4.220 453 HE1 MET 1 3HE MET 1 12.512 20.007 -4.775 454 HE2 MET 1 1HE MET 1 13.032 19.339 -3.208 455 HE3 MET 1 2HE MET 1 12.449 21.019 -3.310 456 H VAL 2 H VAL 2 16.524 20.048 -1.649 457 HA VAL 2 HA VAL 2 17.316 17.619 -0.325 458 HB VAL 2 HB VAL 2 15.691 18.323 1.409 459 HG11 VAL 2 1HG1 VAL 2 16.901 20.317 2.104 460 HG12 VAL 2 2HG1 VAL 2 18.021 19.143 1.387 461 HG13 VAL 2 3HG1 VAL 2 17.513 20.571 0.455 462 HG21 VAL 2 3HG2 VAL 2 14.544 20.488 1.262 463 HG22 VAL 2 1HG2 VAL 2 15.093 20.710 -0.410 464 HG23 VAL 2 2HG2 VAL 2 13.960 19.403 -0.007 465 H GLN 3 H GLN 3 15.982 15.978 0.457 466 HA GLN 3 HA GLN 3 13.971 15.003 -1.410 467 HB2 GLN 3 1HB GLN 3 15.691 13.576 -0.290 468 HB3 GLN 3 2HB GLN 3 14.894 13.869 1.265 469 HG2 GLN 3 1HG GLN 3 12.775 12.899 0.323 470 HG3 GLN 3 2HG GLN 3 13.596 12.666 -1.226 471 HE21 GLN 3 1HE2 GLN 3 15.240 11.020 -1.418 472 HE22 GLN 3 2HE2 GLN 3 15.273 9.746 -0.182 473 H ASN 4 H ASN 4 12.598 16.838 -1.213 474 HA ASN 4 HA ASN 4 11.301 17.704 1.139 475 HB2 ASN 4 1HB ASN 4 11.400 19.041 -0.862 476 HB3 ASN 4 2HB ASN 4 10.533 17.833 -1.808 477 HD21 ASN 4 1HD2 ASN 4 8.297 17.880 -1.828 478 HD22 ASN 4 2HD2 ASN 4 7.372 18.989 -0.758 479 H ASP 5 H ASP 5 9.468 15.892 -1.425 480 HA ASP 5 HA ASP 5 8.465 14.080 0.732 481 HB2 ASP 5 1HB ASP 5 6.822 15.885 0.271 482 HB3 ASP 5 2HB ASP 5 6.790 15.391 -1.426 483 H PHE 6 H PHE 6 10.051 12.763 0.050 484 HA PHE 6 HA PHE 6 11.290 11.268 -1.031 485 HB2 PHE 6 1HB PHE 6 8.572 10.638 -2.049 486 HB3 PHE 6 2HB PHE 6 9.922 9.949 -2.938 487 HD1 PHE 6 2HD PHE 6 8.265 10.095 0.381 488 HD2 PHE 6 1HD PHE 6 11.398 8.322 -1.983 489 HE1 PHE 6 2HE PHE 6 8.536 8.302 2.079 490 HE2 PHE 6 1HE PHE 6 11.658 6.513 -0.301 491 HZ PHE 6 HZ PHE 6 10.220 6.499 1.730 492 H VAL 7 H VAL 7 9.826 13.550 -3.148 493 HA VAL 7 HA VAL 7 10.328 14.587 -4.984 494 HB VAL 7 HB VAL 7 11.970 15.172 -3.153 495 HG11 VAL 7 1HG1 VAL 7 13.751 13.490 -3.523 496 HG12 VAL 7 2HG1 VAL 7 14.025 14.126 -5.161 497 HG13 VAL 7 3HG1 VAL 7 14.368 15.122 -3.738 498 HG21 VAL 7 3HG2 VAL 7 12.961 16.947 -4.446 499 HG22 VAL 7 1HG2 VAL 7 12.655 16.095 -5.970 500 HG23 VAL 7 2HG2 VAL 7 11.301 16.688 -4.975 501 H ASP 8 H ASP 8 11.254 14.864 -6.959 502 HA ASP 8 HA ASP 8 12.153 14.471 -8.983 503 HB2 ASP 8 1HB ASP 8 12.843 11.611 -8.184 504 HB3 ASP 8 2HB ASP 8 13.247 12.412 -9.687 505 H SER 9 H SER 9 10.820 11.227 -8.308 506 HA SER 9 HA SER 9 8.337 11.740 -9.687 507 HB2 SER 9 1HB SER 9 10.320 9.889 -11.060 508 HB3 SER 9 2HB SER 9 8.609 10.118 -11.491 509 HG SER 9 HG SER 9 9.853 12.506 -11.298 510 H TYR 10 H TYR 10 7.337 9.335 -10.035 511 HA TYR 10 HA TYR 10 6.227 9.050 -7.550 512 HB2 TYR 10 1HB TYR 10 6.348 7.147 -9.911 513 HB3 TYR 10 2HB TYR 10 5.499 6.719 -8.448 514 HD1 TYR 10 1HD TYR 10 5.572 9.287 -11.188 515 HD2 TYR 10 2HD TYR 10 3.423 7.563 -7.891 516 HE1 TYR 10 1HE TYR 10 3.538 10.598 -11.821 517 HE2 TYR 10 2HE TYR 10 1.364 8.790 -8.563 518 HH TYR 10 HH TYR 10 0.447 10.354 -9.961 519 H ASP 11 H ASP 11 6.296 7.788 -5.830 520 HA ASP 11 HA ASP 11 8.750 6.217 -5.241 521 HB2 ASP 11 1HB ASP 11 8.424 8.028 -3.733 522 HB3 ASP 11 2HB ASP 11 6.703 7.662 -3.550 523 H VAL 12 H VAL 12 8.546 4.112 -5.607 524 HA VAL 12 HA VAL 12 5.992 2.756 -4.904 525 HB VAL 12 HB VAL 12 8.251 1.793 -6.704 526 HG11 VAL 12 1HG1 VAL 12 5.580 0.532 -5.933 527 HG12 VAL 12 2HG1 VAL 12 6.581 0.016 -7.278 528 HG13 VAL 12 3HG1 VAL 12 7.210 -0.134 -5.632 529 HG21 VAL 12 3HG2 VAL 12 6.537 2.009 -8.486 530 HG22 VAL 12 1HG2 VAL 12 5.402 2.655 -7.270 531 HG23 VAL 12 2HG2 VAL 12 6.832 3.585 -7.723 532 H THR 13 H THR 13 6.003 1.168 -3.477 533 HA THR 13 HA THR 13 8.536 0.148 -2.258 534 HB THR 13 HB THR 13 6.164 1.360 -0.813 535 HG1 THR 13 1HG THR 13 8.175 2.557 -1.502 536 HG21 THR 13 3HG2 THR 13 6.577 -0.637 0.444 537 HG22 THR 13 1HG2 THR 13 8.341 -0.434 0.308 538 HG23 THR 13 2HG2 THR 13 7.378 0.681 1.305 539 H MET 14 H MET 14 8.413 -1.958 -2.876 540 HA MET 14 HA MET 14 5.807 -3.370 -2.465 541 HB2 MET 14 1HB MET 14 6.069 -2.734 -4.794 542 HB3 MET 14 2HB MET 14 7.672 -3.460 -4.871 543 HG2 MET 14 1HG MET 14 6.781 -5.674 -4.686 544 HG3 MET 14 2HG MET 14 5.211 -5.082 -4.161 545 HE1 MET 14 3HE MET 14 7.668 -4.527 -7.313 546 HE2 MET 14 1HE MET 14 7.463 -6.191 -6.768 547 HE3 MET 14 2HE MET 14 6.791 -5.700 -8.338 548 H LEU 15 H LEU 15 5.909 -5.605 -2.065 549 HA LEU 15 HA LEU 15 8.463 -6.902 -2.095 550 HB2 LEU 15 1HB LEU 15 8.512 -7.743 0.176 551 HB3 LEU 15 2HB LEU 15 8.720 -6.020 0.102 552 HG LEU 15 HG LEU 15 7.536 -6.764 2.031 553 HD11 LEU 15 1HD1 LEU 15 7.196 -4.473 1.178 554 HD12 LEU 15 2HD1 LEU 15 5.720 -5.013 0.363 555 HD13 LEU 15 3HD1 LEU 15 5.847 -5.105 2.133 556 HD21 LEU 15 3HD2 LEU 15 5.337 -7.631 2.091 557 HD22 LEU 15 1HD2 LEU 15 5.159 -7.505 0.335 558 HD23 LEU 15 2HD2 LEU 15 6.304 -8.666 1.026 559 H LEU 16 H LEU 16 8.373 -9.096 -1.698 560 HA LEU 16 HA LEU 16 5.939 -10.591 -1.426 561 HB2 LEU 16 1HB LEU 16 6.359 -11.973 -3.488 562 HB3 LEU 16 2HB LEU 16 5.647 -10.407 -3.742 563 HG LEU 16 HG LEU 16 7.395 -11.281 -5.384 564 HD11 LEU 16 1HD1 LEU 16 8.222 -9.069 -5.933 565 HD12 LEU 16 2HD1 LEU 16 6.503 -9.039 -5.502 566 HD13 LEU 16 3HD1 LEU 16 7.743 -8.446 -4.364 567 HD21 LEU 16 3HD2 LEU 16 9.162 -11.883 -3.759 568 HD22 LEU 16 1HD2 LEU 16 9.711 -10.769 -5.025 569 HD23 LEU 16 2HD2 LEU 16 9.380 -10.147 -3.399 570 H GLN 17 H GLN 17 6.749 -13.070 -1.674 571 HA GLN 17 HA GLN 17 8.897 -13.128 0.345 572 HB2 GLN 17 1HB GLN 17 6.652 -14.325 0.560 573 HB3 GLN 17 2HB GLN 17 7.164 -15.390 -0.759 574 HG2 GLN 17 1HG GLN 17 9.164 -16.058 0.651 575 HG3 GLN 17 2HG GLN 17 8.517 -15.047 1.955 576 HE21 GLN 17 1HE2 GLN 17 7.938 -17.991 -0.018 577 HE22 GLN 17 2HE2 GLN 17 6.785 -18.638 1.157 578 H ASP 18 H ASP 18 10.942 -13.721 0.079 579 HA ASP 18 HA ASP 18 11.601 -15.733 -1.878 580 HB2 ASP 18 1HB ASP 18 11.526 -13.254 -3.033 581 HB3 ASP 18 2HB ASP 18 13.181 -13.241 -2.423 582 H ASP 19 H ASP 19 14.096 -15.728 -2.158 583 HA ASP 19 HA ASP 19 16.130 -16.178 -1.488 584 HB2 ASP 19 1HB ASP 19 16.022 -13.741 -1.274 585 HB3 ASP 19 2HB ASP 19 15.585 -13.886 0.430 586 H ASP 20 H ASP 20 14.243 -15.777 1.396 587 HA ASP 20 HA ASP 20 15.585 -18.140 2.698 588 HB2 ASP 20 1HB ASP 20 16.523 -15.817 3.304 589 HB3 ASP 20 2HB ASP 20 14.982 -15.523 4.115 590 H GLY 21 H GLY 21 12.829 -17.398 1.503 591 HA2 GLY 21 1HA GLY 21 10.600 -18.080 1.902 592 HA3 GLY 21 2HA GLY 21 11.125 -18.794 3.438 593 H LYS 22 H LYS 22 11.811 -15.430 2.625 594 HA LYS 22 HA LYS 22 9.828 -14.461 4.639 595 HB2 LYS 22 1HB LYS 22 12.819 -13.870 4.459 596 HB3 LYS 22 2HB LYS 22 11.689 -12.956 5.470 597 HG2 LYS 22 1HG LYS 22 11.113 -14.996 6.735 598 HG3 LYS 22 2HG LYS 22 12.217 -15.949 5.725 599 HD2 LYS 22 1HD LYS 22 14.124 -14.532 6.461 600 HD3 LYS 22 2HD LYS 22 13.018 -13.590 7.473 601 HE2 LYS 22 1HE LYS 22 14.148 -15.171 8.874 602 HE3 LYS 22 2HE LYS 22 12.446 -15.659 8.751 603 HZ1 LYS 22 3HZ LYS 22 14.091 -17.513 8.470 604 HZ2 LYS 22 1HZ LYS 22 13.123 -17.348 7.129 605 HZ3 LYS 22 2HZ LYS 22 14.652 -16.791 7.113 606 H GLN 23 H GLN 23 9.687 -12.031 4.551 607 HA GLN 23 HA GLN 23 9.043 -11.349 1.829 608 HB2 GLN 23 1HB GLN 23 9.202 -9.490 4.241 609 HB3 GLN 23 2HB GLN 23 8.430 -9.131 2.688 610 HG2 GLN 23 1HG GLN 23 7.572 -11.200 4.733 611 HG3 GLN 23 2HG GLN 23 6.724 -9.716 4.280 612 HE21 GLN 23 1HE2 GLN 23 5.559 -12.287 4.292 613 HE22 GLN 23 2HE2 GLN 23 5.139 -12.654 2.611 614 H TYR 24 H TYR 24 9.860 -10.038 0.431 615 HA TYR 24 HA TYR 24 12.700 -9.227 0.700 616 HB2 TYR 24 1HB TYR 24 12.267 -11.537 -0.133 617 HB3 TYR 24 2HB TYR 24 11.262 -10.882 -1.418 618 HD1 TYR 24 2HD TYR 24 14.688 -11.249 -0.139 619 HD2 TYR 24 1HD TYR 24 12.198 -9.755 -3.333 620 HE1 TYR 24 2HE TYR 24 16.656 -11.172 -1.636 621 HE2 TYR 24 1HE TYR 24 14.135 -9.693 -4.836 622 HH TYR 24 HH TYR 24 16.379 -10.207 -5.068 623 H TYR 25 H TYR 25 12.913 -7.176 0.169 624 HA TYR 25 HA TYR 25 10.535 -5.838 -0.885 625 HB2 TYR 25 1HB TYR 25 12.927 -4.856 0.720 626 HB3 TYR 25 2HB TYR 25 11.584 -3.844 0.216 627 HD1 TYR 25 2HD TYR 25 12.395 -6.866 2.315 628 HD2 TYR 25 1HD TYR 25 9.630 -3.649 1.482 629 HE1 TYR 25 2HE TYR 25 11.150 -7.421 4.365 630 HE2 TYR 25 1HE TYR 25 8.390 -4.196 3.581 631 HH TYR 25 HH TYR 25 9.424 -6.822 5.749 632 H GLU 26 H GLU 26 10.500 -4.099 -2.076 633 HA GLU 26 HA GLU 26 12.632 -3.524 -4.069 634 HB2 GLU 26 1HB GLU 26 9.723 -4.336 -4.466 635 HB3 GLU 26 2HB GLU 26 10.707 -3.637 -5.742 636 HG2 GLU 26 1HG GLU 26 11.285 -6.281 -4.325 637 HG3 GLU 26 2HG GLU 26 10.461 -6.092 -5.867 638 H TYR 27 H TYR 27 12.782 -1.716 -2.494 639 HA TYR 27 HA TYR 27 10.772 0.435 -2.619 640 HB2 TYR 27 1HB TYR 27 13.638 0.275 -1.598 641 HB3 TYR 27 2HB TYR 27 12.650 1.730 -1.544 642 HD1 TYR 27 2HD TYR 27 10.692 1.911 -0.063 643 HD2 TYR 27 1HD TYR 27 13.245 -1.571 -0.044 644 HE1 TYR 27 2HE TYR 27 9.794 1.257 2.164 645 HE2 TYR 27 1HE TYR 27 12.340 -2.229 2.168 646 HH TYR 27 HH TYR 27 10.999 -1.618 3.905 647 H HIS 28 H HIS 28 10.601 1.718 -4.353 648 HA HIS 28 HA HIS 28 12.973 2.422 -6.001 649 HB2 HIS 28 1HB HIS 28 10.491 1.047 -7.109 650 HB3 HIS 28 2HB HIS 28 11.735 1.834 -8.081 651 HD1 HIS 28 1HD HIS 28 14.239 0.669 -7.939 652 HD2 HIS 28 2HD HIS 28 10.974 -1.405 -6.292 653 HE1 HIS 28 1HE HIS 28 14.966 -1.814 -7.740 654 HE2 HIS 28 2HE HIS 28 12.948 -3.083 -6.761 655 H LYS 29 H LYS 29 12.757 4.543 -5.358 656 HA LYS 29 HA LYS 29 10.333 5.926 -6.396 657 HB2 LYS 29 1HB LYS 29 10.770 7.737 -5.005 658 HB3 LYS 29 2HB LYS 29 11.026 6.328 -4.003 659 HG2 LYS 29 1HG LYS 29 12.946 7.390 -3.392 660 HG3 LYS 29 2HG LYS 29 13.615 6.723 -4.887 661 HD2 LYS 29 1HD LYS 29 12.952 8.823 -6.095 662 HD3 LYS 29 2HD LYS 29 12.187 9.421 -4.619 663 HE2 LYS 29 1HE LYS 29 14.467 9.340 -3.540 664 HE3 LYS 29 2HE LYS 29 15.153 8.949 -5.138 665 HZ1 LYS 29 3HZ LYS 29 15.124 11.392 -4.654 666 HZ2 LYS 29 1HZ LYS 29 14.262 11.105 -5.976 667 HZ3 LYS 29 2HZ LYS 29 13.463 11.332 -4.559 668 H GLY 30 H GLY 30 10.704 8.043 -7.466 669 HA2 GLY 30 1HA GLY 30 11.824 9.418 -8.970 670 HA3 GLY 30 2HA GLY 30 13.280 8.426 -8.819 671 H LEU 31 H LEU 31 10.083 7.161 -9.660 672 HA LEU 31 HA LEU 31 10.865 6.852 -12.499 673 HB2 LEU 31 1HB LEU 31 10.225 4.497 -12.477 674 HB3 LEU 31 2HB LEU 31 11.624 4.844 -11.507 675 HG LEU 31 HG LEU 31 10.361 4.593 -9.429 676 HD11 LEU 31 1HD1 LEU 31 8.099 3.555 -9.490 677 HD12 LEU 31 2HD1 LEU 31 8.076 5.241 -9.989 678 HD13 LEU 31 3HD1 LEU 31 7.966 3.934 -11.207 679 HD21 LEU 31 3HD2 LEU 31 11.411 2.631 -10.574 680 HD22 LEU 31 1HD2 LEU 31 9.995 2.185 -9.594 681 HD23 LEU 31 2HD2 LEU 31 9.854 2.286 -11.359 682 H SER 32 H SER 32 8.672 5.567 -13.526 683 HA SER 32 HA SER 32 6.374 7.225 -12.588 684 HB2 SER 32 1HB SER 32 5.988 8.025 -14.732 685 HB3 SER 32 2HB SER 32 7.716 8.223 -14.497 686 HG SER 32 HG SER 32 8.017 6.102 -15.620 687 H LEU 33 H LEU 33 4.415 6.496 -14.229 688 HA LEU 33 HA LEU 33 3.726 4.060 -12.891 689 HB2 LEU 33 1HB LEU 33 2.218 5.649 -15.019 690 HB3 LEU 33 2HB LEU 33 1.572 4.289 -14.118 691 HG LEU 33 HG LEU 33 0.685 6.116 -13.046 692 HD11 LEU 33 1HD1 LEU 33 1.591 6.085 -10.772 693 HD12 LEU 33 2HD1 LEU 33 1.623 4.458 -11.479 694 HD13 LEU 33 3HD1 LEU 33 3.112 5.441 -11.352 695 HD21 LEU 33 3HD2 LEU 33 2.175 7.945 -12.036 696 HD22 LEU 33 1HD2 LEU 33 3.352 7.532 -13.271 697 HD23 LEU 33 2HD2 LEU 33 1.718 8.052 -13.744 698 H SER 34 H SER 34 4.748 4.638 -16.241 699 HA SER 34 HA SER 34 4.193 1.943 -17.125 700 HB2 SER 34 1HB SER 34 5.697 2.588 -18.972 701 HB3 SER 34 2HB SER 34 4.415 3.787 -18.705 702 HG SER 34 HG SER 34 5.989 5.192 -18.417 703 H ASP 35 H ASP 35 6.809 3.498 -15.309 704 HA ASP 35 HA ASP 35 8.668 1.247 -15.584 705 HB2 ASP 35 1HB ASP 35 8.618 3.515 -13.575 706 HB3 ASP 35 2HB ASP 35 9.976 2.457 -13.913 707 H PHE 36 H PHE 36 6.231 2.370 -13.236 708 HA PHE 36 HA PHE 36 6.577 0.277 -11.293 709 HB2 PHE 36 1HB PHE 36 5.256 2.160 -10.679 710 HB3 PHE 36 2HB PHE 36 4.231 2.012 -12.097 711 HD1 PHE 36 1HD PHE 36 5.240 -0.004 -9.092 712 HD2 PHE 36 2HD PHE 36 2.149 0.950 -11.940 713 HE1 PHE 36 1HE PHE 36 3.667 -1.487 -7.871 714 HE2 PHE 36 2HE PHE 36 0.577 -0.533 -10.726 715 HZ PHE 36 HZ PHE 36 1.325 -1.759 -8.708 716 H GLU 37 H GLU 37 4.500 0.420 -14.275 717 HA GLU 37 HA GLU 37 3.469 -2.210 -14.093 718 HB2 GLU 37 1HB GLU 37 4.115 -0.338 -16.384 719 HB3 GLU 37 2HB GLU 37 3.538 -1.978 -16.692 720 HG2 GLU 37 1HG GLU 37 1.523 -1.598 -15.380 721 HG3 GLU 37 2HG GLU 37 2.107 -0.009 -14.871 722 H VAL 38 H VAL 38 6.646 -1.146 -15.305 723 HA VAL 38 HA VAL 38 7.458 -3.789 -16.193 724 HB VAL 38 HB VAL 38 9.100 -1.331 -15.458 725 HG11 VAL 38 1HG1 VAL 38 9.972 -4.111 -16.199 726 HG12 VAL 38 2HG1 VAL 38 10.805 -2.765 -16.997 727 HG13 VAL 38 3HG1 VAL 38 10.796 -2.857 -15.230 728 HG21 VAL 38 3HG2 VAL 38 9.423 -1.199 -17.906 729 HG22 VAL 38 1HG2 VAL 38 8.361 -2.618 -18.124 730 HG23 VAL 38 2HG2 VAL 38 7.719 -1.101 -17.489 731 H LEU 39 H LEU 39 7.995 -1.985 -13.131 732 HA LEU 39 HA LEU 39 9.453 -4.017 -11.787 733 HB2 LEU 39 1HB LEU 39 9.294 -1.687 -11.063 734 HB3 LEU 39 2HB LEU 39 7.561 -1.856 -10.784 735 HG LEU 39 HG LEU 39 7.958 -3.442 -8.991 736 HD11 LEU 39 1HD1 LEU 39 10.137 -4.412 -9.620 737 HD12 LEU 39 2HD1 LEU 39 10.916 -2.819 -9.412 738 HD13 LEU 39 3HD1 LEU 39 10.239 -3.693 -8.015 739 HD21 LEU 39 3HD2 LEU 39 9.518 -1.499 -7.718 740 HD22 LEU 39 1HD2 LEU 39 8.713 -0.610 -9.011 741 HD23 LEU 39 2HD2 LEU 39 7.773 -1.587 -7.831 742 H TYR 40 H TYR 40 5.918 -3.414 -11.751 743 HA TYR 40 HA TYR 40 5.179 -5.703 -10.190 744 HB2 TYR 40 1HB TYR 40 3.705 -3.846 -10.478 745 HB3 TYR 40 2HB TYR 40 3.742 -3.979 -12.230 746 HD1 TYR 40 1HD TYR 40 2.612 -5.745 -9.122 747 HD2 TYR 40 2HD TYR 40 2.176 -5.314 -13.394 748 HE1 TYR 40 1HE TYR 40 0.537 -7.153 -9.072 749 HE2 TYR 40 2HE TYR 40 0.127 -6.727 -13.329 750 HH TYR 40 HH TYR 40 -1.287 -8.035 -12.096 751 H GLY 41 H GLY 41 5.435 -5.309 -13.796 752 HA2 GLY 41 1HA GLY 41 4.556 -7.964 -14.377 753 HA3 GLY 41 2HA GLY 41 5.417 -6.868 -15.468 754 H ASN 42 H ASN 42 7.792 -6.733 -13.602 755 HA ASN 42 HA ASN 42 9.230 -9.020 -14.646 756 HB2 ASN 42 1HB ASN 42 10.130 -6.704 -14.404 757 HB3 ASN 42 2HB ASN 42 9.992 -6.835 -12.646 758 HD21 ASN 42 1HD2 ASN 42 11.540 -8.444 -15.499 759 HD22 ASN 42 2HD2 ASN 42 12.971 -8.877 -14.553 760 H THR 43 H THR 43 7.475 -8.506 -11.769 761 HA THR 43 HA THR 43 8.937 -9.778 -9.779 762 HB THR 43 HB THR 43 5.924 -9.606 -10.193 763 HG1 THR 43 1HG THR 43 6.718 -7.595 -9.977 764 HG21 THR 43 3HG2 THR 43 7.428 -10.063 -7.611 765 HG22 THR 43 1HG2 THR 43 5.654 -9.910 -7.809 766 HG23 THR 43 2HG2 THR 43 6.512 -11.317 -8.422 767 H ALA 44 H ALA 44 6.535 -11.324 -11.914 768 HA ALA 44 HA ALA 44 5.875 -13.477 -12.233 769 HB1 ALA 44 3HB ALA 44 7.648 -15.001 -12.870 770 HB2 ALA 44 1HB ALA 44 8.031 -13.357 -13.438 771 HB3 ALA 44 2HB ALA 44 8.849 -14.022 -11.999 772 H ASP 45 H ASP 45 5.871 -12.678 -9.423 773 HA ASP 45 HA ASP 45 5.659 -15.347 -8.209 774 HB2 ASP 45 1HB ASP 45 7.801 -14.015 -7.536 775 HB3 ASP 45 2HB ASP 45 6.680 -12.968 -6.659 776 H GLU 46 H GLU 46 4.399 -15.113 -6.098 777 HA GLU 46 HA GLU 46 1.907 -13.636 -6.517 778 HB2 GLU 46 1HB GLU 46 3.031 -15.161 -4.145 779 HB3 GLU 46 2HB GLU 46 1.420 -14.412 -4.195 780 HG2 GLU 46 1HG GLU 46 0.860 -15.774 -6.197 781 HG3 GLU 46 2HG GLU 46 2.416 -16.598 -6.074 782 H ILE 47 H ILE 47 1.884 -11.513 -6.340 783 HA ILE 47 HA ILE 47 3.502 -9.884 -4.640 784 HB ILE 47 HB ILE 47 0.707 -9.555 -5.792 785 HG12 ILE 47 1HG1 ILE 47 2.565 -9.644 -7.428 786 HG13 ILE 47 2HG1 ILE 47 1.706 -8.114 -7.424 787 HG21 ILE 47 1HG2 ILE 47 2.300 -7.476 -4.240 788 HG22 ILE 47 2HG2 ILE 47 0.949 -7.092 -5.329 789 HG23 ILE 47 3HG2 ILE 47 0.662 -8.089 -3.902 790 HD11 ILE 47 3HD1 ILE 47 4.310 -8.110 -7.579 791 HD12 ILE 47 1HD1 ILE 47 3.488 -6.917 -6.558 792 HD13 ILE 47 2HD1 ILE 47 4.268 -8.328 -5.816 793 H ILE 48 H ILE 48 3.346 -9.264 -2.609 794 HA ILE 48 HA ILE 48 1.198 -10.402 -0.877 795 HB ILE 48 HB ILE 48 4.113 -9.854 -0.203 796 HG12 ILE 48 1HG1 ILE 48 3.860 -11.930 -1.475 797 HG13 ILE 48 2HG1 ILE 48 4.340 -12.234 0.185 798 HG21 ILE 48 1HG2 ILE 48 1.709 -10.296 1.529 799 HG22 ILE 48 2HG2 ILE 48 3.188 -11.173 1.983 800 HG23 ILE 48 3HG2 ILE 48 3.227 -9.406 1.843 801 HD11 ILE 48 3HD1 ILE 48 1.449 -12.522 -0.787 802 HD12 ILE 48 1HD1 ILE 48 2.631 -13.838 -0.734 803 HD13 ILE 48 2HD1 ILE 48 2.131 -13.044 0.777 804 H LYS 49 H LYS 49 3.498 -7.620 -1.292 805 HA LYS 49 HA LYS 49 1.186 -5.866 -0.659 806 HB2 LYS 49 1HB LYS 49 2.211 -6.497 1.511 807 HB3 LYS 49 2HB LYS 49 3.758 -5.875 0.956 808 HG2 LYS 49 1HG LYS 49 2.799 -3.593 0.781 809 HG3 LYS 49 2HG LYS 49 1.227 -4.236 1.297 810 HD2 LYS 49 1HD LYS 49 2.427 -5.105 3.408 811 HD3 LYS 49 2HD LYS 49 3.851 -4.217 2.858 812 HE2 LYS 49 1HE LYS 49 2.854 -2.760 4.364 813 HE3 LYS 49 2HE LYS 49 2.331 -2.127 2.792 814 HZ1 LYS 49 3HZ LYS 49 0.593 -4.125 4.055 815 HZ2 LYS 49 1HZ LYS 49 0.583 -2.586 4.721 816 HZ3 LYS 49 2HZ LYS 49 0.158 -2.958 3.138 817 H LEU 50 H LEU 50 1.245 -3.960 -1.685 818 HA LEU 50 HA LEU 50 3.826 -2.815 -2.344 819 HB2 LEU 50 1HB LEU 50 3.530 -2.399 -4.675 820 HB3 LEU 50 2HB LEU 50 3.323 -4.109 -4.334 821 HG LEU 50 HG LEU 50 0.799 -3.645 -4.356 822 HD11 LEU 50 1HD1 LEU 50 -0.093 -1.757 -5.412 823 HD12 LEU 50 2HD1 LEU 50 1.291 -0.990 -4.622 824 HD13 LEU 50 3HD1 LEU 50 1.392 -1.400 -6.316 825 HD21 LEU 50 3HD2 LEU 50 1.901 -3.322 -7.138 826 HD22 LEU 50 1HD2 LEU 50 2.478 -4.692 -6.207 827 HD23 LEU 50 2HD2 LEU 50 0.739 -4.499 -6.484 828 H ARG 51 H ARG 51 3.886 -0.685 -2.712 829 HA ARG 51 HA ARG 51 1.446 0.934 -2.325 830 HB2 ARG 51 1HB ARG 51 3.278 0.507 -0.269 831 HB3 ARG 51 2HB ARG 51 3.968 1.916 -1.071 832 HG2 ARG 51 1HG ARG 51 1.464 2.831 -0.968 833 HG3 ARG 51 2HG ARG 51 1.272 1.557 0.237 834 HD2 ARG 51 1HD ARG 51 1.725 3.573 1.406 835 HD3 ARG 51 2HD ARG 51 3.199 2.604 1.526 836 HE ARG 51 HE ARG 51 2.745 5.043 -0.209 837 HH11 ARG 51 2HH2 ARG 51 5.243 2.946 1.181 838 HH12 ARG 51 1HH2 ARG 51 6.475 3.864 0.333 839 HH21 ARG 51 2HH1 ARG 51 4.167 6.015 -1.079 840 HH22 ARG 51 1HH1 ARG 51 5.918 5.707 -0.963 841 H LEU 52 H LEU 52 1.497 2.890 -3.353 842 HA LEU 52 HA LEU 52 3.932 3.844 -4.647 843 HB2 LEU 52 1HB LEU 52 3.063 2.491 -6.356 844 HB3 LEU 52 2HB LEU 52 1.422 3.049 -6.126 845 HG LEU 52 HG LEU 52 3.531 5.050 -6.960 846 HD11 LEU 52 1HD1 LEU 52 3.218 4.495 -9.291 847 HD12 LEU 52 2HD1 LEU 52 3.744 3.030 -8.481 848 HD13 LEU 52 3HD1 LEU 52 2.049 3.204 -8.897 849 HD21 LEU 52 3HD2 LEU 52 0.947 5.564 -6.470 850 HD22 LEU 52 1HD2 LEU 52 1.709 6.243 -7.917 851 HD23 LEU 52 2HD2 LEU 52 0.696 4.801 -8.045 852 H ASP 53 H ASP 53 4.070 5.992 -4.627 853 HA ASP 53 HA ASP 53 1.688 7.707 -4.059 854 HB2 ASP 53 1HB ASP 53 4.333 7.511 -2.599 855 HB3 ASP 53 2HB ASP 53 3.563 9.077 -2.754 856 H LYS 54 H LYS 54 1.612 9.499 -5.393 857 HA LYS 54 HA LYS 54 3.989 10.307 -6.974 858 HB2 LYS 54 1HB LYS 54 2.782 12.256 -7.572 859 HB3 LYS 54 2HB LYS 54 1.616 10.948 -7.561 860 HG2 LYS 54 1HG LYS 54 0.424 12.592 -6.567 861 HG3 LYS 54 2HG LYS 54 1.025 11.753 -5.135 862 HD2 LYS 54 1HD LYS 54 2.750 13.524 -4.853 863 HD3 LYS 54 2HD LYS 54 2.258 14.260 -6.393 864 HE2 LYS 54 1HE LYS 54 0.011 14.689 -5.478 865 HE3 LYS 54 2HE LYS 54 0.462 13.892 -3.958 866 HZ1 LYS 54 3HZ LYS 54 0.691 16.308 -3.817 867 HZ2 LYS 54 1HZ LYS 54 2.152 15.569 -3.629 868 HZ3 LYS 54 2HZ LYS 54 1.782 16.302 -5.052 869 H VAL 55 H VAL 55 5.160 12.097 -6.794 870 HA VAL 55 HA VAL 55 5.959 12.684 -3.982 871 HB VAL 55 HB VAL 55 8.245 12.762 -4.752 872 HG11 VAL 55 1HG1 VAL 55 7.026 10.179 -5.737 873 HG12 VAL 55 2HG1 VAL 55 8.685 10.446 -5.168 874 HG13 VAL 55 3HG1 VAL 55 7.322 10.577 -4.036 875 HG21 VAL 55 3HG2 VAL 55 7.304 12.006 -7.512 876 HG22 VAL 55 1HG2 VAL 55 7.965 13.590 -7.029 877 HG23 VAL 55 2HG2 VAL 55 8.980 12.159 -6.913 878 H LEU 56 H LEU 56 7.099 14.521 -3.745 879 HA LEU 56 HA LEU 56 6.724 16.771 -5.672 880 HB2 LEU 56 1HB LEU 56 4.784 16.821 -4.143 881 HB3 LEU 56 2HB LEU 56 5.867 16.858 -2.754 882 HG LEU 56 HG LEU 56 6.736 19.075 -3.473 883 HD11 LEU 56 1HD1 LEU 56 6.326 18.938 -5.911 884 HD12 LEU 56 2HD1 LEU 56 4.571 18.881 -5.622 885 HD13 LEU 56 3HD1 LEU 56 5.508 20.339 -5.213 886 HD21 LEU 56 3HD2 LEU 56 3.700 18.894 -3.279 887 HD22 LEU 56 1HD2 LEU 56 4.827 18.852 -1.905 888 HD23 LEU 56 2HD2 LEU 56 4.698 20.316 -2.898 Start of MODEL 3 1 H1 MET 1 1H MET 1 -12.417 -15.441 -3.034 2 H2 MET 1 2H MET 1 -13.134 -16.827 -2.534 3 H3 MET 1 3H MET 1 -14.052 -15.512 -2.881 4 HA MET 1 HA MET 1 -12.397 -17.015 -4.791 5 HB2 MET 1 1HB MET 1 -14.424 -18.265 -3.953 6 HB3 MET 1 2HB MET 1 -15.436 -17.013 -4.688 7 HG2 MET 1 1HG MET 1 -15.125 -18.910 -6.234 8 HG3 MET 1 2HG MET 1 -14.372 -17.458 -6.891 9 HE1 MET 1 3HE MET 1 -13.950 -20.317 -7.988 10 HE2 MET 1 1HE MET 1 -13.054 -18.941 -8.681 11 HE3 MET 1 2HE MET 1 -12.181 -20.427 -8.216 12 H VAL 2 H VAL 2 -15.190 -14.686 -4.714 13 HA VAL 2 HA VAL 2 -13.829 -13.007 -6.703 14 HB VAL 2 HB VAL 2 -16.066 -12.596 -7.759 15 HG11 VAL 2 1HG1 VAL 2 -16.038 -14.535 -9.223 16 HG12 VAL 2 2HG1 VAL 2 -14.377 -14.078 -8.818 17 HG13 VAL 2 3HG1 VAL 2 -15.126 -15.477 -8.030 18 HG21 VAL 2 3HG2 VAL 2 -16.978 -15.154 -6.361 19 HG22 VAL 2 1HG2 VAL 2 -17.500 -13.518 -5.914 20 HG23 VAL 2 2HG2 VAL 2 -17.902 -14.170 -7.505 21 H GLN 3 H GLN 3 -14.951 -10.818 -6.677 22 HA GLN 3 HA GLN 3 -15.015 -9.851 -3.974 23 HB2 GLN 3 1HB GLN 3 -15.093 -7.675 -5.096 24 HB3 GLN 3 2HB GLN 3 -13.846 -8.701 -5.786 25 HG2 GLN 3 1HG GLN 3 -15.154 -9.128 -7.782 26 HG3 GLN 3 2HG GLN 3 -16.595 -8.402 -7.088 27 HE21 GLN 3 1HE2 GLN 3 -16.385 -5.997 -6.405 28 HE22 GLN 3 2HE2 GLN 3 -15.410 -5.052 -7.549 29 H ASN 4 H ASN 4 -17.088 -11.480 -3.918 30 HA ASN 4 HA ASN 4 -19.639 -10.397 -4.778 31 HB2 ASN 4 1HB ASN 4 -20.620 -12.258 -3.569 32 HB3 ASN 4 2HB ASN 4 -19.198 -12.820 -4.426 33 HD21 ASN 4 1HD2 ASN 4 -20.762 -13.036 -1.415 34 HD22 ASN 4 2HD2 ASN 4 -19.324 -13.473 -0.504 35 H ASP 5 H ASP 5 -17.701 -9.801 -1.972 36 HA ASP 5 HA ASP 5 -19.488 -7.675 -1.130 37 HB2 ASP 5 1HB ASP 5 -19.923 -9.910 0.258 38 HB3 ASP 5 2HB ASP 5 -18.404 -9.506 1.041 39 H PHE 6 H PHE 6 -17.985 -6.746 0.955 40 HA PHE 6 HA PHE 6 -15.250 -6.163 0.014 41 HB2 PHE 6 1HB PHE 6 -17.111 -4.823 1.537 42 HB3 PHE 6 2HB PHE 6 -16.099 -5.488 2.796 43 HD1 PHE 6 1HD PHE 6 -15.880 -3.776 -0.549 44 HD2 PHE 6 2HD PHE 6 -14.201 -4.172 3.399 45 HE1 PHE 6 1HE PHE 6 -14.341 -1.880 -1.017 46 HE2 PHE 6 2HE PHE 6 -12.619 -2.331 2.909 47 HZ PHE 6 HZ PHE 6 -12.689 -1.175 0.694 48 H VAL 7 H VAL 7 -15.613 -8.722 0.038 49 HA VAL 7 HA VAL 7 -15.164 -10.322 2.345 50 HB VAL 7 HB VAL 7 -16.366 -10.955 0.285 51 HG11 VAL 7 1HG1 VAL 7 -15.203 -11.752 -1.698 52 HG12 VAL 7 2HG1 VAL 7 -14.881 -10.038 -1.448 53 HG13 VAL 7 3HG1 VAL 7 -13.644 -11.237 -1.040 54 HG21 VAL 7 3HG2 VAL 7 -15.790 -13.245 0.207 55 HG22 VAL 7 1HG2 VAL 7 -14.150 -12.955 0.787 56 HG23 VAL 7 2HG2 VAL 7 -15.547 -12.698 1.870 57 H ASP 8 H ASP 8 -13.196 -12.020 2.292 58 HA ASP 8 HA ASP 8 -10.687 -10.463 2.217 59 HB2 ASP 8 1HB ASP 8 -11.256 -13.344 2.978 60 HB3 ASP 8 2HB ASP 8 -9.679 -12.546 3.096 61 H SER 9 H SER 9 -8.840 -11.450 1.312 62 HA SER 9 HA SER 9 -7.585 -12.070 -0.612 63 HB2 SER 9 1HB SER 9 -9.580 -13.200 -1.730 64 HB3 SER 9 2HB SER 9 -10.016 -11.593 -2.350 65 HG SER 9 HG SER 9 -8.766 -12.443 -3.886 66 H TYR 10 H TYR 10 -7.339 -10.456 -2.673 67 HA TYR 10 HA TYR 10 -5.766 -8.677 -1.389 68 HB2 TYR 10 1HB TYR 10 -6.757 -8.577 -4.234 69 HB3 TYR 10 2HB TYR 10 -5.581 -7.439 -3.600 70 HD1 TYR 10 1HD TYR 10 -6.172 -11.113 -4.157 71 HD2 TYR 10 2HD TYR 10 -3.333 -8.045 -3.089 72 HE1 TYR 10 1HE TYR 10 -4.352 -12.767 -4.298 73 HE2 TYR 10 2HE TYR 10 -1.498 -9.716 -3.226 74 HH TYR 10 HH TYR 10 -2.056 -13.110 -4.184 75 H ASP 11 H ASP 11 -5.775 -6.840 -0.434 76 HA ASP 11 HA ASP 11 -8.150 -5.016 -0.330 77 HB2 ASP 11 1HB ASP 11 -7.309 -6.019 1.815 78 HB3 ASP 11 2HB ASP 11 -5.733 -5.305 1.517 79 H VAL 12 H VAL 12 -8.033 -3.335 -1.567 80 HA VAL 12 HA VAL 12 -5.465 -2.281 -2.646 81 HB VAL 12 HB VAL 12 -7.976 -2.866 -4.277 82 HG11 VAL 12 1HG1 VAL 12 -5.154 -1.913 -5.027 83 HG12 VAL 12 2HG1 VAL 12 -6.432 -2.336 -6.178 84 HG13 VAL 12 3HG1 VAL 12 -6.638 -0.944 -5.114 85 HG21 VAL 12 3HG2 VAL 12 -5.353 -4.393 -4.060 86 HG22 VAL 12 1HG2 VAL 12 -6.993 -5.010 -3.801 87 HG23 VAL 12 2HG2 VAL 12 -6.472 -4.572 -5.431 88 H THR 13 H THR 13 -5.533 -0.459 -1.434 89 HA THR 13 HA THR 13 -7.856 1.391 -1.641 90 HB THR 13 HB THR 13 -5.151 1.905 -0.346 91 HG1 THR 13 1HG THR 13 -6.290 1.353 1.579 92 HG21 THR 13 3HG2 THR 13 -7.952 3.024 0.201 93 HG22 THR 13 1HG2 THR 13 -6.451 3.509 1.010 94 HG23 THR 13 2HG2 THR 13 -6.689 3.889 -0.704 95 H MET 14 H MET 14 -7.888 3.218 -2.965 96 HA MET 14 HA MET 14 -5.432 3.919 -4.434 97 HB2 MET 14 1HB MET 14 -6.845 2.211 -5.697 98 HB3 MET 14 2HB MET 14 -8.069 3.463 -5.873 99 HG2 MET 14 1HG MET 14 -6.497 4.892 -7.083 100 HG3 MET 14 2HG MET 14 -5.185 3.765 -6.782 101 HE1 MET 14 3HE MET 14 -6.055 0.717 -9.074 102 HE2 MET 14 1HE MET 14 -4.921 1.404 -7.884 103 HE3 MET 14 2HE MET 14 -6.544 0.868 -7.378 104 H LEU 15 H LEU 15 -5.377 5.978 -5.210 105 HA LEU 15 HA LEU 15 -7.485 7.931 -4.460 106 HB2 LEU 15 1HB LEU 15 -4.679 7.613 -3.459 107 HB3 LEU 15 2HB LEU 15 -5.233 9.255 -3.739 108 HG LEU 15 HG LEU 15 -6.918 7.356 -2.065 109 HD11 LEU 15 1HD1 LEU 15 -5.765 8.241 -0.055 110 HD12 LEU 15 2HD1 LEU 15 -4.697 7.261 -1.072 111 HD13 LEU 15 3HD1 LEU 15 -4.572 9.038 -1.106 112 HD21 LEU 15 3HD2 LEU 15 -7.914 9.523 -2.742 113 HD22 LEU 15 1HD2 LEU 15 -7.599 9.515 -1.005 114 HD23 LEU 15 2HD2 LEU 15 -6.500 10.363 -2.096 115 H LEU 16 H LEU 16 -7.878 9.241 -6.028 116 HA LEU 16 HA LEU 16 -5.864 9.774 -8.175 117 HB2 LEU 16 1HB LEU 16 -8.855 9.302 -8.482 118 HB3 LEU 16 2HB LEU 16 -7.775 9.818 -9.762 119 HG LEU 16 HG LEU 16 -6.567 7.459 -8.700 120 HD11 LEU 16 1HD1 LEU 16 -8.748 6.933 -7.604 121 HD12 LEU 16 2HD1 LEU 16 -9.547 7.060 -9.187 122 HD13 LEU 16 3HD1 LEU 16 -8.351 5.779 -8.894 123 HD21 LEU 16 3HD2 LEU 16 -6.586 8.216 -11.062 124 HD22 LEU 16 1HD2 LEU 16 -7.035 6.511 -10.875 125 HD23 LEU 16 2HD2 LEU 16 -8.291 7.741 -11.173 126 H GLN 17 H GLN 17 -6.367 11.806 -9.355 127 HA GLN 17 HA GLN 17 -7.253 13.828 -7.354 128 HB2 GLN 17 1HB GLN 17 -4.871 13.708 -8.136 129 HB3 GLN 17 2HB GLN 17 -5.423 14.276 -9.719 130 HG2 GLN 17 1HG GLN 17 -6.309 16.333 -8.673 131 HG3 GLN 17 2HG GLN 17 -5.944 15.708 -7.062 132 HE21 GLN 17 1HE2 GLN 17 -4.420 16.756 -10.136 133 HE22 GLN 17 2HE2 GLN 17 -2.883 17.135 -9.338 134 H ASP 18 H ASP 18 -8.846 15.159 -7.663 135 HA ASP 18 HA ASP 18 -10.581 15.031 -10.003 136 HB2 ASP 18 1HB ASP 18 -11.385 15.335 -7.636 137 HB3 ASP 18 2HB ASP 18 -10.573 16.906 -7.603 138 H ASP 19 H ASP 19 -11.197 17.010 -11.163 139 HA ASP 19 HA ASP 19 -8.978 18.455 -12.340 140 HB2 ASP 19 1HB ASP 19 -11.998 18.755 -12.467 141 HB3 ASP 19 2HB ASP 19 -10.897 19.829 -13.331 142 H ASP 20 H ASP 20 -11.082 19.169 -9.532 143 HA ASP 20 HA ASP 20 -10.239 21.942 -9.314 144 HB2 ASP 20 1HB ASP 20 -12.370 20.856 -8.445 145 HB3 ASP 20 2HB ASP 20 -11.388 20.087 -7.200 146 H GLY 21 H GLY 21 -8.421 19.133 -9.006 147 HA2 GLY 21 1HA GLY 21 -6.202 18.989 -8.436 148 HA3 GLY 21 2HA GLY 21 -6.266 20.555 -7.620 149 H LYS 22 H LYS 22 -8.694 18.430 -6.575 150 HA LYS 22 HA LYS 22 -7.216 17.791 -4.058 151 HB2 LYS 22 1HB LYS 22 -9.421 17.658 -2.981 152 HB3 LYS 22 2HB LYS 22 -9.167 19.230 -3.743 153 HG2 LYS 22 1HG LYS 22 -10.520 18.452 -5.720 154 HG3 LYS 22 2HG LYS 22 -10.841 16.929 -4.870 155 HD2 LYS 22 1HD LYS 22 -11.913 18.209 -3.030 156 HD3 LYS 22 2HD LYS 22 -11.565 19.727 -3.902 157 HE2 LYS 22 1HE LYS 22 -12.859 18.801 -5.871 158 HE3 LYS 22 2HE LYS 22 -13.297 17.412 -4.860 159 HZ1 LYS 22 3HZ LYS 22 -14.071 19.291 -3.261 160 HZ2 LYS 22 1HZ LYS 22 -14.146 20.201 -4.620 161 HZ3 LYS 22 2HZ LYS 22 -15.051 18.826 -4.492 162 H GLN 23 H GLN 23 -7.752 15.748 -2.994 163 HA GLN 23 HA GLN 23 -7.557 13.555 -4.917 164 HB2 GLN 23 1HB GLN 23 -7.767 13.497 -1.878 165 HB3 GLN 23 2HB GLN 23 -7.359 12.150 -2.932 166 HG2 GLN 23 1HG GLN 23 -5.694 14.671 -2.514 167 HG3 GLN 23 2HG GLN 23 -5.338 13.066 -1.896 168 HE21 GLN 23 1HE2 GLN 23 -4.670 15.224 -4.528 169 HE22 GLN 23 2HE2 GLN 23 -4.051 13.979 -5.579 170 H TYR 24 H TYR 24 -8.975 11.859 -5.225 171 HA TYR 24 HA TYR 24 -11.263 11.673 -3.401 172 HB2 TYR 24 1HB TYR 24 -12.851 11.052 -5.048 173 HB3 TYR 24 2HB TYR 24 -12.213 12.628 -5.446 174 HD1 TYR 24 2HD TYR 24 -10.777 12.962 -7.440 175 HD2 TYR 24 1HD TYR 24 -12.455 9.096 -6.497 176 HE1 TYR 24 2HE TYR 24 -10.429 12.229 -9.798 177 HE2 TYR 24 1HE TYR 24 -12.101 8.375 -8.847 178 HH TYR 24 HH TYR 24 -11.160 10.637 -11.433 179 H TYR 25 H TYR 25 -11.847 9.669 -2.881 180 HA TYR 25 HA TYR 25 -9.571 7.782 -2.886 181 HB2 TYR 25 1HB TYR 25 -10.113 8.995 -0.841 182 HB3 TYR 25 2HB TYR 25 -11.800 8.553 -0.961 183 HD1 TYR 25 1HD TYR 25 -8.390 7.222 -0.252 184 HD2 TYR 25 2HD TYR 25 -12.639 6.531 -0.031 185 HE1 TYR 25 1HE TYR 25 -8.018 5.461 1.474 186 HE2 TYR 25 2HE TYR 25 -12.271 4.783 1.690 187 HH TYR 25 HH TYR 25 -10.710 3.809 3.102 188 H GLU 26 H GLU 26 -9.803 5.679 -3.300 189 HA GLU 26 HA GLU 26 -12.418 4.581 -4.222 190 HB2 GLU 26 1HB GLU 26 -11.247 5.900 -5.976 191 HB3 GLU 26 2HB GLU 26 -9.816 4.911 -5.783 192 HG2 GLU 26 1HG GLU 26 -11.025 4.212 -7.749 193 HG3 GLU 26 2HG GLU 26 -11.116 2.922 -6.554 194 H TYR 27 H TYR 27 -12.086 3.438 -2.149 195 HA TYR 27 HA TYR 27 -9.877 1.511 -1.988 196 HB2 TYR 27 1HB TYR 27 -10.374 2.906 -0.086 197 HB3 TYR 27 2HB TYR 27 -12.055 2.393 -0.074 198 HD1 TYR 27 2HD TYR 27 -9.056 0.099 -0.414 199 HD2 TYR 27 1HD TYR 27 -12.174 1.595 2.178 200 HE1 TYR 27 2HE TYR 27 -8.559 -1.665 1.176 201 HE2 TYR 27 1HE TYR 27 -11.605 -0.182 3.834 202 HH TYR 27 HH TYR 27 -8.841 -2.418 3.390 203 H HIS 28 H HIS 28 -9.988 -0.680 -2.181 204 HA HIS 28 HA HIS 28 -12.610 -2.021 -2.428 205 HB2 HIS 28 1HB HIS 28 -10.226 -2.141 -4.312 206 HB3 HIS 28 2HB HIS 28 -11.552 -3.307 -4.319 207 HD1 HIS 28 1HD HIS 28 -13.988 -2.334 -5.040 208 HD2 HIS 28 2HD HIS 28 -10.755 0.367 -5.214 209 HE1 HIS 28 1HE HIS 28 -14.850 -0.209 -6.271 210 HE2 HIS 28 2HE HIS 28 -12.953 1.432 -6.316 211 H LYS 29 H LYS 29 -12.625 -4.136 -1.618 212 HA LYS 29 HA LYS 29 -10.066 -5.385 -0.880 213 HB2 LYS 29 1HB LYS 29 -10.966 -4.143 1.123 214 HB3 LYS 29 2HB LYS 29 -12.453 -5.096 0.981 215 HG2 LYS 29 1HG LYS 29 -11.169 -7.153 1.381 216 HG3 LYS 29 2HG LYS 29 -9.680 -6.227 1.530 217 HD2 LYS 29 1HD LYS 29 -10.465 -5.137 3.531 218 HD3 LYS 29 2HD LYS 29 -12.125 -5.703 3.290 219 HE2 LYS 29 1HE LYS 29 -9.813 -7.636 3.638 220 HE3 LYS 29 2HE LYS 29 -10.674 -6.968 5.028 221 HZ1 LYS 29 3HZ LYS 29 -12.719 -7.942 4.187 222 HZ2 LYS 29 1HZ LYS 29 -12.005 -8.436 2.811 223 HZ3 LYS 29 2HZ LYS 29 -11.548 -9.133 4.237 224 H GLY 30 H GLY 30 -10.219 -7.705 -0.767 225 HA2 GLY 30 1HA GLY 30 -11.207 -9.779 -1.187 226 HA3 GLY 30 2HA GLY 30 -12.743 -8.992 -1.545 227 H LEU 31 H LEU 31 -9.782 -7.920 -3.132 228 HA LEU 31 HA LEU 31 -10.938 -8.664 -5.767 229 HB2 LEU 31 1HB LEU 31 -8.547 -6.919 -5.001 230 HB3 LEU 31 2HB LEU 31 -9.110 -7.191 -6.624 231 HG LEU 31 HG LEU 31 -10.389 -5.530 -4.469 232 HD11 LEU 31 1HD1 LEU 31 -8.769 -4.545 -6.097 233 HD12 LEU 31 2HD1 LEU 31 -9.803 -5.075 -7.434 234 HD13 LEU 31 3HD1 LEU 31 -10.384 -3.856 -6.298 235 HD21 LEU 31 3HD2 LEU 31 -11.824 -6.558 -6.958 236 HD22 LEU 31 1HD2 LEU 31 -12.296 -6.827 -5.266 237 HD23 LEU 31 2HD2 LEU 31 -12.378 -5.209 -5.953 238 H SER 32 H SER 32 -9.018 -9.162 -7.425 239 HA SER 32 HA SER 32 -6.742 -10.440 -6.140 240 HB2 SER 32 1HB SER 32 -6.681 -12.389 -7.308 241 HB3 SER 32 2HB SER 32 -8.401 -12.257 -6.973 242 HG SER 32 HG SER 32 -8.785 -11.507 -9.046 243 H LEU 33 H LEU 33 -5.026 -10.830 -8.143 244 HA LEU 33 HA LEU 33 -4.353 -8.123 -8.727 245 HB2 LEU 33 1HB LEU 33 -3.141 -10.719 -9.732 246 HB3 LEU 33 2HB LEU 33 -2.497 -9.129 -10.069 247 HG LEU 33 HG LEU 33 -1.213 -9.979 -8.302 248 HD11 LEU 33 1HD1 LEU 33 -1.514 -8.375 -6.468 249 HD12 LEU 33 2HD1 LEU 33 -1.851 -7.585 -8.005 250 HD13 LEU 33 3HD1 LEU 33 -3.177 -8.092 -6.936 251 HD21 LEU 33 3HD2 LEU 33 -1.925 -10.897 -6.255 252 HD22 LEU 33 1HD2 LEU 33 -3.621 -10.530 -6.555 253 HD23 LEU 33 2HD2 LEU 33 -2.774 -11.767 -7.521 254 H SER 34 H SER 34 -6.019 -10.528 -10.738 255 HA SER 34 HA SER 34 -5.971 -9.037 -13.179 256 HB2 SER 34 1HB SER 34 -7.941 -11.080 -12.068 257 HB3 SER 34 2HB SER 34 -7.881 -10.515 -13.746 258 HG SER 34 HG SER 34 -6.676 -12.400 -13.621 259 H ASP 35 H ASP 35 -8.035 -8.857 -10.266 260 HA ASP 35 HA ASP 35 -10.014 -7.061 -11.495 261 HB2 ASP 35 1HB ASP 35 -9.516 -7.839 -8.608 262 HB3 ASP 35 2HB ASP 35 -10.932 -6.982 -9.209 263 H PHE 36 H PHE 36 -7.114 -6.842 -9.466 264 HA PHE 36 HA PHE 36 -7.127 -3.991 -9.069 265 HB2 PHE 36 1HB PHE 36 -5.709 -5.338 -7.707 266 HB3 PHE 36 2HB PHE 36 -4.969 -6.097 -9.097 267 HD1 PHE 36 1HD PHE 36 -5.516 -2.458 -8.258 268 HD2 PHE 36 2HD PHE 36 -2.709 -5.588 -9.215 269 HE1 PHE 36 1HE PHE 36 -3.692 -0.818 -8.243 270 HE2 PHE 36 2HE PHE 36 -0.867 -3.934 -9.208 271 HZ PHE 36 HZ PHE 36 -1.340 -1.545 -8.714 272 H GLU 37 H GLU 37 -5.649 -6.013 -11.726 273 HA GLU 37 HA GLU 37 -4.705 -3.890 -13.328 274 HB2 GLU 37 1HB GLU 37 -5.763 -6.668 -13.953 275 HB3 GLU 37 2HB GLU 37 -5.285 -5.551 -15.224 276 HG2 GLU 37 1HG GLU 37 -3.049 -5.291 -14.163 277 HG3 GLU 37 2HG GLU 37 -3.490 -6.491 -12.951 278 H VAL 38 H VAL 38 -8.012 -5.291 -13.213 279 HA VAL 38 HA VAL 38 -9.142 -3.509 -15.165 280 HB VAL 38 HB VAL 38 -10.445 -4.961 -12.842 281 HG11 VAL 38 1HG1 VAL 38 -11.752 -3.417 -15.124 282 HG12 VAL 38 2HG1 VAL 38 -12.603 -4.540 -14.042 283 HG13 VAL 38 3HG1 VAL 38 -11.892 -3.065 -13.391 284 HG21 VAL 38 3HG2 VAL 38 -9.407 -6.233 -14.894 285 HG22 VAL 38 1HG2 VAL 38 -11.030 -6.630 -14.360 286 HG23 VAL 38 2HG2 VAL 38 -10.788 -5.598 -15.778 287 H LEU 39 H LEU 39 -9.087 -3.212 -11.557 288 HA LEU 39 HA LEU 39 -10.373 -0.724 -11.413 289 HB2 LEU 39 1HB LEU 39 -9.926 -2.182 -9.481 290 HB3 LEU 39 2HB LEU 39 -8.197 -1.910 -9.651 291 HG LEU 39 HG LEU 39 -8.517 0.507 -9.115 292 HD11 LEU 39 1HD1 LEU 39 -11.365 -0.252 -8.377 293 HD12 LEU 39 2HD1 LEU 39 -10.585 1.337 -8.227 294 HD13 LEU 39 3HD1 LEU 39 -10.939 0.682 -9.813 295 HD21 LEU 39 3HD2 LEU 39 -8.898 0.153 -6.724 296 HD22 LEU 39 1HD2 LEU 39 -9.638 -1.435 -7.061 297 HD23 LEU 39 2HD2 LEU 39 -7.924 -1.158 -7.409 298 H TYR 40 H TYR 40 -6.839 -1.278 -11.554 299 HA TYR 40 HA TYR 40 -6.074 1.496 -11.559 300 HB2 TYR 40 1HB TYR 40 -4.569 -0.228 -10.839 301 HB3 TYR 40 2HB TYR 40 -4.737 -1.104 -12.348 302 HD1 TYR 40 2HD TYR 40 -3.470 2.179 -10.988 303 HD2 TYR 40 1HD TYR 40 -3.197 -0.827 -14.073 304 HE1 TYR 40 2HE TYR 40 -1.406 3.267 -11.878 305 HE2 TYR 40 1HE TYR 40 -1.155 0.252 -14.962 306 HH TYR 40 HH TYR 40 0.286 1.972 -14.773 307 H GLY 41 H GLY 41 -6.885 -0.759 -14.262 308 HA2 GLY 41 1HA GLY 41 -6.094 1.186 -16.305 309 HA3 GLY 41 2HA GLY 41 -6.872 -0.371 -16.548 310 H ASN 42 H ASN 42 -9.123 0.454 -14.591 311 HA ASN 42 HA ASN 42 -10.823 1.746 -16.588 312 HB2 ASN 42 1HB ASN 42 -11.510 -0.286 -15.291 313 HB3 ASN 42 2HB ASN 42 -11.390 0.640 -13.794 314 HD21 ASN 42 1HD2 ASN 42 -13.245 0.270 -16.844 315 HD22 ASN 42 2HD2 ASN 42 -14.615 1.179 -16.194 316 H THR 43 H THR 43 -9.456 2.494 -13.391 317 HA THR 43 HA THR 43 -10.883 4.984 -13.119 318 HB THR 43 HB THR 43 -9.223 5.451 -11.275 319 HG1 THR 43 1HG THR 43 -8.453 2.744 -11.650 320 HG21 THR 43 3HG2 THR 43 -10.639 2.767 -11.097 321 HG22 THR 43 1HG2 THR 43 -10.074 3.769 -9.748 322 HG23 THR 43 2HG2 THR 43 -11.377 4.350 -10.798 323 H ALA 44 H ALA 44 -7.385 4.598 -13.260 324 HA ALA 44 HA ALA 44 -5.653 5.744 -14.170 325 HB1 ALA 44 3HB ALA 44 -5.732 5.852 -16.601 326 HB2 ALA 44 1HB ALA 44 -6.552 4.398 -16.014 327 HB3 ALA 44 2HB ALA 44 -7.507 5.787 -16.567 328 H ASP 45 H ASP 45 -8.246 7.642 -13.502 329 HA ASP 45 HA ASP 45 -7.767 10.009 -14.949 330 HB2 ASP 45 1HB ASP 45 -9.984 9.242 -14.314 331 HB3 ASP 45 2HB ASP 45 -9.525 9.257 -12.611 332 H GLU 46 H GLU 46 -5.424 10.087 -14.242 333 HA GLU 46 HA GLU 46 -3.685 11.230 -13.198 334 HB2 GLU 46 1HB GLU 46 -5.798 13.003 -11.923 335 HB3 GLU 46 2HB GLU 46 -4.060 13.259 -11.901 336 HG2 GLU 46 1HG GLU 46 -4.028 13.415 -14.365 337 HG3 GLU 46 2HG GLU 46 -5.784 13.184 -14.414 338 H ILE 47 H ILE 47 -3.968 8.947 -12.364 339 HA ILE 47 HA ILE 47 -4.486 8.452 -9.630 340 HB ILE 47 HB ILE 47 -4.421 6.807 -11.439 341 HG12 ILE 47 1HG1 ILE 47 -4.378 6.169 -9.045 342 HG13 ILE 47 2HG1 ILE 47 -3.851 4.965 -10.197 343 HG21 ILE 47 1HG2 ILE 47 -2.424 7.467 -12.671 344 HG22 ILE 47 2HG2 ILE 47 -1.389 6.946 -11.342 345 HG23 ILE 47 3HG2 ILE 47 -2.358 5.756 -12.223 346 HD11 ILE 47 3HD1 ILE 47 -1.427 5.631 -9.520 347 HD12 ILE 47 1HD1 ILE 47 -2.213 6.452 -8.169 348 HD13 ILE 47 2HD1 ILE 47 -2.415 4.729 -8.384 349 H ILE 48 H ILE 48 -3.444 8.885 -7.836 350 HA ILE 48 HA ILE 48 -0.758 10.109 -7.907 351 HB ILE 48 HB ILE 48 -3.035 10.294 -5.890 352 HG12 ILE 48 1HG1 ILE 48 -3.449 11.702 -7.818 353 HG13 ILE 48 2HG1 ILE 48 -3.090 12.668 -6.411 354 HG21 ILE 48 1HG2 ILE 48 -0.941 10.229 -4.644 355 HG22 ILE 48 2HG2 ILE 48 -0.221 11.453 -5.696 356 HG23 ILE 48 3HG2 ILE 48 -1.581 11.869 -4.635 357 HD11 ILE 48 3HD1 ILE 48 -1.141 12.119 -8.686 358 HD12 ILE 48 1HD1 ILE 48 -2.044 13.607 -8.420 359 HD13 ILE 48 2HD1 ILE 48 -0.808 13.121 -7.257 360 H LYS 49 H LYS 49 -2.840 8.074 -5.715 361 HA LYS 49 HA LYS 49 -0.531 6.250 -5.601 362 HB2 LYS 49 1HB LYS 49 -0.315 6.245 -3.233 363 HB3 LYS 49 2HB LYS 49 -0.232 7.907 -3.803 364 HG2 LYS 49 1HG LYS 49 -2.580 8.285 -3.085 365 HG3 LYS 49 2HG LYS 49 -2.669 6.599 -2.530 366 HD2 LYS 49 1HD LYS 49 -2.203 7.872 -0.572 367 HD3 LYS 49 2HD LYS 49 -0.675 7.105 -1.025 368 HE2 LYS 49 1HE LYS 49 -0.274 9.341 -2.379 369 HE3 LYS 49 2HE LYS 49 -1.529 10.005 -1.335 370 HZ1 LYS 49 3HZ LYS 49 1.011 8.720 -0.468 371 HZ2 LYS 49 1HZ LYS 49 0.758 10.308 -0.528 372 HZ3 LYS 49 2HZ LYS 49 -0.113 9.424 0.557 373 H LEU 50 H LEU 50 -0.761 4.290 -4.681 374 HA LEU 50 HA LEU 50 -3.421 3.358 -3.963 375 HB2 LEU 50 1HB LEU 50 -3.500 1.460 -5.452 376 HB3 LEU 50 2HB LEU 50 -3.262 2.917 -6.386 377 HG LEU 50 HG LEU 50 -0.676 2.229 -6.122 378 HD11 LEU 50 1HD1 LEU 50 -0.424 -0.236 -6.411 379 HD12 LEU 50 2HD1 LEU 50 -1.040 0.172 -4.808 380 HD13 LEU 50 3HD1 LEU 50 -2.147 -0.448 -6.044 381 HD21 LEU 50 3HD2 LEU 50 -0.676 1.718 -8.331 382 HD22 LEU 50 1HD2 LEU 50 -2.040 0.634 -8.234 383 HD23 LEU 50 2HD2 LEU 50 -2.304 2.364 -8.264 384 H ARG 51 H ARG 51 -3.424 1.409 -2.847 385 HA ARG 51 HA ARG 51 -0.864 0.508 -1.664 386 HB2 ARG 51 1HB ARG 51 -2.055 2.476 -0.359 387 HB3 ARG 51 2HB ARG 51 -3.156 1.224 0.194 388 HG2 ARG 51 1HG ARG 51 -0.432 0.264 0.451 389 HG3 ARG 51 2HG ARG 51 -0.523 1.885 1.132 390 HD2 ARG 51 1HD ARG 51 -0.909 0.352 2.907 391 HD3 ARG 51 2HD ARG 51 -2.457 1.118 2.547 392 HE ARG 51 HE ARG 51 -1.655 -1.719 1.841 393 HH11 ARG 51 2HH2 ARG 51 -4.339 0.386 2.783 394 HH12 ARG 51 1HH2 ARG 51 -5.448 -0.952 2.434 395 HH21 ARG 51 2HH1 ARG 51 -3.059 -3.146 1.550 396 HH22 ARG 51 1HH1 ARG 51 -4.825 -2.824 1.785 397 H LEU 52 H LEU 52 -0.887 -1.521 -2.227 398 HA LEU 52 HA LEU 52 -3.363 -3.135 -2.009 399 HB2 LEU 52 1HB LEU 52 -2.767 -2.918 -4.257 400 HB3 LEU 52 2HB LEU 52 -1.086 -3.290 -3.982 401 HG LEU 52 HG LEU 52 -3.243 -5.343 -3.354 402 HD11 LEU 52 1HD1 LEU 52 -3.150 -6.195 -5.603 403 HD12 LEU 52 2HD1 LEU 52 -3.643 -4.504 -5.650 404 HD13 LEU 52 3HD1 LEU 52 -1.979 -4.938 -6.086 405 HD21 LEU 52 3HD2 LEU 52 -1.066 -6.664 -4.483 406 HD22 LEU 52 1HD2 LEU 52 -0.304 -5.419 -3.518 407 HD23 LEU 52 2HD2 LEU 52 -1.417 -6.535 -2.775 408 H ASP 53 H ASP 53 -3.391 -4.848 -0.784 409 HA ASP 53 HA ASP 53 -0.890 -6.126 0.225 410 HB2 ASP 53 1HB ASP 53 -3.324 -5.182 1.789 411 HB3 ASP 53 2HB ASP 53 -2.404 -6.581 2.320 412 H LYS 54 H LYS 54 -0.924 -8.334 0.020 413 HA LYS 54 HA LYS 54 -3.446 -9.726 -0.675 414 HB2 LYS 54 1HB LYS 54 -2.266 -11.720 -0.529 415 HB3 LYS 54 2HB LYS 54 -1.105 -10.594 -1.168 416 HG2 LYS 54 1HG LYS 54 0.237 -11.630 0.342 417 HG3 LYS 54 2HG LYS 54 -0.330 -10.318 1.359 418 HD2 LYS 54 1HD LYS 54 -0.339 -12.432 2.582 419 HD3 LYS 54 2HD LYS 54 -2.025 -11.971 2.362 420 HE2 LYS 54 1HE LYS 54 -2.100 -13.459 0.303 421 HE3 LYS 54 2HE LYS 54 -0.425 -13.881 0.596 422 HZ1 LYS 54 3HZ LYS 54 -2.866 -14.621 2.157 423 HZ2 LYS 54 1HZ LYS 54 -1.684 -15.658 1.616 424 HZ3 LYS 54 2HZ LYS 54 -1.530 -14.632 2.952 425 H VAL 55 H VAL 55 -4.642 -11.032 0.597 426 HA VAL 55 HA VAL 55 -4.642 -10.317 3.492 427 HB VAL 55 HB VAL 55 -7.084 -10.863 1.801 428 HG11 VAL 55 1HG1 VAL 55 -7.548 -11.520 4.087 429 HG12 VAL 55 2HG1 VAL 55 -6.842 -10.007 4.708 430 HG13 VAL 55 3HG1 VAL 55 -8.347 -9.990 3.778 431 HG21 VAL 55 3HG2 VAL 55 -6.157 -8.655 1.217 432 HG22 VAL 55 1HG2 VAL 55 -7.590 -8.419 2.209 433 HG23 VAL 55 2HG2 VAL 55 -5.974 -8.249 2.933 434 H LEU 56 H LEU 56 -5.305 -11.806 4.738 435 HA LEU 56 HA LEU 56 -4.658 -13.781 5.849 436 HB2 LEU 56 1HB LEU 56 -7.161 -13.621 5.398 437 HB3 LEU 56 2HB LEU 56 -6.914 -14.689 4.026 438 HG LEU 56 HG LEU 56 -6.063 -16.437 5.625 439 HD11 LEU 56 1HD1 LEU 56 -7.013 -14.441 7.742 440 HD12 LEU 56 2HD1 LEU 56 -6.578 -16.128 8.065 441 HD13 LEU 56 3HD1 LEU 56 -5.354 -14.998 7.504 442 HD21 LEU 56 3HD2 LEU 56 -8.175 -17.239 6.152 443 HD22 LEU 56 1HD2 LEU 56 -8.834 -15.648 6.536 444 HD23 LEU 56 2HD2 LEU 56 -8.548 -16.114 4.861 445 H1 MET 1 1H MET 1 16.555 18.670 -10.091 446 H2 MET 1 2H MET 1 15.676 20.046 -10.014 447 H3 MET 1 3H MET 1 15.099 18.759 -10.850 448 HA MET 1 HA MET 1 14.158 19.203 -8.524 449 HB2 MET 1 1HB MET 1 15.163 16.449 -9.346 450 HB3 MET 1 2HB MET 1 14.056 16.764 -8.005 451 HG2 MET 1 1HG MET 1 13.564 17.438 -10.929 452 HG3 MET 1 2HG MET 1 12.811 16.129 -10.015 453 HE1 MET 1 3HE MET 1 9.739 17.573 -10.310 454 HE2 MET 1 1HE MET 1 10.502 18.786 -11.366 455 HE3 MET 1 2HE MET 1 11.062 17.096 -11.401 456 H VAL 2 H VAL 2 14.961 19.972 -6.682 457 HA VAL 2 HA VAL 2 17.739 19.437 -5.862 458 HB VAL 2 HB VAL 2 16.588 21.686 -5.750 459 HG11 VAL 2 1HG1 VAL 2 15.074 22.215 -3.952 460 HG12 VAL 2 2HG1 VAL 2 14.383 20.885 -4.878 461 HG13 VAL 2 3HG1 VAL 2 15.152 20.568 -3.311 462 HG21 VAL 2 3HG2 VAL 2 17.536 22.278 -3.512 463 HG22 VAL 2 1HG2 VAL 2 17.882 20.573 -3.256 464 HG23 VAL 2 2HG2 VAL 2 18.630 21.434 -4.596 465 H GLN 3 H GLN 3 14.573 18.121 -5.273 466 HA GLN 3 HA GLN 3 14.709 17.123 -2.691 467 HB2 GLN 3 1HB GLN 3 13.470 15.840 -5.155 468 HB3 GLN 3 2HB GLN 3 13.116 15.448 -3.479 469 HG2 GLN 3 1HG GLN 3 11.358 16.835 -3.838 470 HG3 GLN 3 2HG GLN 3 12.521 18.074 -3.378 471 HE21 GLN 3 1HE2 GLN 3 10.177 17.333 -5.695 472 HE22 GLN 3 2HE2 GLN 3 10.866 18.254 -7.023 473 H ASN 4 H ASN 4 15.920 15.702 -1.713 474 HA ASN 4 HA ASN 4 18.259 14.710 -2.826 475 HB2 ASN 4 1HB ASN 4 17.930 15.334 -0.481 476 HB3 ASN 4 2HB ASN 4 16.799 14.002 -0.237 477 HD21 ASN 4 1HD2 ASN 4 17.612 11.977 0.317 478 HD22 ASN 4 2HD2 ASN 4 19.378 11.675 0.322 479 H ASP 5 H ASP 5 15.455 12.681 -1.794 480 HA ASP 5 HA ASP 5 16.383 10.497 -3.556 481 HB2 ASP 5 1HB ASP 5 15.697 9.067 -1.632 482 HB3 ASP 5 2HB ASP 5 17.133 10.047 -1.345 483 H PHE 6 H PHE 6 13.518 11.681 -1.790 484 HA PHE 6 HA PHE 6 11.632 10.466 -3.699 485 HB2 PHE 6 1HB PHE 6 11.307 12.547 -1.515 486 HB3 PHE 6 2HB PHE 6 10.006 12.063 -2.574 487 HD1 PHE 6 1HD PHE 6 9.524 9.463 -2.786 488 HD2 PHE 6 2HD PHE 6 11.542 11.329 0.535 489 HE1 PHE 6 1HE PHE 6 8.756 7.642 -1.296 490 HE2 PHE 6 2HE PHE 6 10.750 9.515 2.027 491 HZ PHE 6 HZ PHE 6 9.340 7.670 1.111 492 H VAL 7 H VAL 7 13.101 11.196 -5.405 493 HA VAL 7 HA VAL 7 13.316 13.973 -6.079 494 HB VAL 7 HB VAL 7 15.093 12.389 -6.357 495 HG11 VAL 7 1HG1 VAL 7 13.846 10.422 -7.151 496 HG12 VAL 7 2HG1 VAL 7 13.661 11.190 -8.731 497 HG13 VAL 7 3HG1 VAL 7 15.261 10.796 -8.116 498 HG21 VAL 7 3HG2 VAL 7 15.376 14.384 -7.491 499 HG22 VAL 7 1HG2 VAL 7 15.806 13.143 -8.660 500 HG23 VAL 7 2HG2 VAL 7 14.244 13.954 -8.783 501 H ASP 8 H ASP 8 10.997 14.220 -5.950 502 HA ASP 8 HA ASP 8 8.854 14.412 -6.679 503 HB2 ASP 8 1HB ASP 8 9.978 16.039 -8.285 504 HB3 ASP 8 2HB ASP 8 9.934 14.766 -9.501 505 H SER 9 H SER 9 8.311 13.313 -9.639 506 HA SER 9 HA SER 9 7.959 11.311 -10.737 507 HB2 SER 9 1HB SER 9 9.873 9.999 -8.794 508 HB3 SER 9 2HB SER 9 9.487 9.530 -10.444 509 HG SER 9 HG SER 9 11.015 11.795 -9.619 510 H TYR 10 H TYR 10 7.680 8.775 -9.968 511 HA TYR 10 HA TYR 10 5.638 8.670 -7.780 512 HB2 TYR 10 1HB TYR 10 6.316 6.686 -9.989 513 HB3 TYR 10 2HB TYR 10 5.381 6.269 -8.580 514 HD1 TYR 10 2HD TYR 10 5.390 8.609 -11.519 515 HD2 TYR 10 1HD TYR 10 3.072 6.721 -8.423 516 HE1 TYR 10 2HE TYR 10 3.279 9.425 -12.589 517 HE2 TYR 10 1HE TYR 10 0.975 7.526 -9.489 518 HH TYR 10 HH TYR 10 0.065 9.036 -11.068 519 H ASP 11 H ASP 11 6.080 7.439 -6.027 520 HA ASP 11 HA ASP 11 8.675 5.973 -5.674 521 HB2 ASP 11 1HB ASP 11 8.275 7.423 -3.816 522 HB3 ASP 11 2HB ASP 11 6.562 7.054 -3.786 523 H VAL 12 H VAL 12 8.625 3.824 -5.639 524 HA VAL 12 HA VAL 12 6.043 2.356 -5.562 525 HB VAL 12 HB VAL 12 8.444 1.636 -7.278 526 HG11 VAL 12 1HG1 VAL 12 6.927 -0.163 -8.100 527 HG12 VAL 12 2HG1 VAL 12 7.350 -0.376 -6.400 528 HG13 VAL 12 3HG1 VAL 12 5.752 0.259 -6.844 529 HG21 VAL 12 3HG2 VAL 12 6.879 1.963 -9.180 530 HG22 VAL 12 1HG2 VAL 12 5.646 2.553 -8.034 531 HG23 VAL 12 2HG2 VAL 12 7.135 3.469 -8.295 532 H THR 13 H THR 13 5.986 1.339 -3.723 533 HA THR 13 HA THR 13 8.492 0.308 -2.414 534 HB THR 13 HB THR 13 6.147 1.793 -1.204 535 HG1 THR 13 1HG THR 13 8.023 3.068 -2.030 536 HG21 THR 13 3HG2 THR 13 7.418 1.472 0.977 537 HG22 THR 13 1HG2 THR 13 6.610 0.024 0.368 538 HG23 THR 13 2HG2 THR 13 8.360 0.209 0.160 539 H MET 14 H MET 14 8.320 -1.766 -3.067 540 HA MET 14 HA MET 14 5.698 -3.162 -2.732 541 HB2 MET 14 1HB MET 14 6.414 -2.489 -5.055 542 HB3 MET 14 2HB MET 14 7.782 -3.593 -4.902 543 HG2 MET 14 1HG MET 14 6.316 -5.487 -4.721 544 HG3 MET 14 2HG MET 14 4.904 -4.446 -4.501 545 HE1 MET 14 3HE MET 14 7.121 -6.381 -6.984 546 HE2 MET 14 1HE MET 14 7.074 -5.370 -8.443 547 HE3 MET 14 2HE MET 14 7.908 -4.787 -6.978 548 H LEU 15 H LEU 15 5.732 -5.445 -2.300 549 HA LEU 15 HA LEU 15 8.224 -6.518 -1.129 550 HB2 LEU 15 1HB LEU 15 6.630 -5.037 0.361 551 HB3 LEU 15 2HB LEU 15 5.623 -6.479 0.420 552 HG LEU 15 HG LEU 15 8.578 -6.621 1.090 553 HD11 LEU 15 1HD1 LEU 15 8.147 -6.062 3.371 554 HD12 LEU 15 2HD1 LEU 15 7.496 -4.750 2.390 555 HD13 LEU 15 3HD1 LEU 15 6.403 -5.957 3.085 556 HD21 LEU 15 3HD2 LEU 15 7.795 -8.412 2.633 557 HD22 LEU 15 1HD2 LEU 15 6.132 -8.172 2.085 558 HD23 LEU 15 2HD2 LEU 15 7.363 -8.784 0.966 559 H LEU 16 H LEU 16 8.495 -8.581 -1.332 560 HA LEU 16 HA LEU 16 6.367 -10.295 -2.537 561 HB2 LEU 16 1HB LEU 16 9.338 -10.190 -3.230 562 HB3 LEU 16 2HB LEU 16 8.164 -11.283 -3.875 563 HG LEU 16 HG LEU 16 8.346 -9.943 -5.630 564 HD11 LEU 16 1HD1 LEU 16 6.286 -8.210 -4.266 565 HD12 LEU 16 2HD1 LEU 16 6.477 -8.569 -5.991 566 HD13 LEU 16 3HD1 LEU 16 5.980 -9.853 -4.883 567 HD21 LEU 16 3HD2 LEU 16 8.687 -7.465 -5.511 568 HD22 LEU 16 1HD2 LEU 16 8.883 -7.649 -3.762 569 HD23 LEU 16 2HD2 LEU 16 9.976 -8.483 -4.872 570 H GLN 17 H GLN 17 7.223 -12.671 -2.533 571 HA GLN 17 HA GLN 17 8.762 -13.277 -0.070 572 HB2 GLN 17 1HB GLN 17 6.328 -13.406 0.445 573 HB3 GLN 17 2HB GLN 17 6.155 -14.657 -0.799 574 HG2 GLN 17 1HG GLN 17 7.808 -16.070 0.440 575 HG3 GLN 17 2HG GLN 17 7.987 -14.787 1.648 576 HE21 GLN 17 1HE2 GLN 17 6.006 -17.462 0.579 577 HE22 GLN 17 2HE2 GLN 17 4.804 -17.270 1.857 578 H ASP 18 H ASP 18 10.435 -14.516 -0.534 579 HA ASP 18 HA ASP 18 10.764 -15.471 -3.250 580 HB2 ASP 18 1HB ASP 18 12.511 -14.359 -1.806 581 HB3 ASP 18 2HB ASP 18 12.500 -15.779 -0.768 582 H ASP 19 H ASP 19 11.770 -17.672 -3.553 583 HA ASP 19 HA ASP 19 9.708 -19.609 -3.257 584 HB2 ASP 19 1HB ASP 19 11.373 -19.409 -5.115 585 HB3 ASP 19 2HB ASP 19 12.612 -20.025 -4.035 586 H ASP 20 H ASP 20 12.470 -19.022 -1.172 587 HA ASP 20 HA ASP 20 12.181 -21.537 0.347 588 HB2 ASP 20 1HB ASP 20 14.003 -20.698 1.723 589 HB3 ASP 20 2HB ASP 20 14.428 -20.614 0.025 590 H GLY 21 H GLY 21 10.345 -18.771 0.176 591 HA2 GLY 21 1HA GLY 21 8.457 -18.342 1.472 592 HA3 GLY 21 2HA GLY 21 9.132 -19.240 2.827 593 H LYS 22 H LYS 22 11.540 -17.082 1.652 594 HA LYS 22 HA LYS 22 11.085 -15.395 4.043 595 HB2 LYS 22 1HB LYS 22 13.428 -15.538 2.110 596 HB3 LYS 22 2HB LYS 22 13.333 -14.478 3.525 597 HG2 LYS 22 1HG LYS 22 12.980 -16.480 4.992 598 HG3 LYS 22 2HG LYS 22 13.181 -17.529 3.577 599 HD2 LYS 22 1HD LYS 22 15.456 -16.580 3.226 600 HD3 LYS 22 2HD LYS 22 15.261 -15.615 4.714 601 HE2 LYS 22 1HE LYS 22 14.886 -17.739 5.996 602 HE3 LYS 22 2HE LYS 22 15.077 -18.654 4.491 603 HZ1 LYS 22 3HZ LYS 22 17.220 -18.707 5.034 604 HZ2 LYS 22 1HZ LYS 22 17.300 -17.139 4.581 605 HZ3 LYS 22 2HZ LYS 22 17.104 -17.520 6.165 606 H GLN 23 H GLN 23 10.231 -13.472 4.052 607 HA GLN 23 HA GLN 23 9.346 -12.179 1.613 608 HB2 GLN 23 1HB GLN 23 9.280 -11.370 4.542 609 HB3 GLN 23 2HB GLN 23 8.679 -10.356 3.222 610 HG2 GLN 23 1HG GLN 23 7.182 -12.201 2.472 611 HG3 GLN 23 2HG GLN 23 7.715 -13.183 3.841 612 HE21 GLN 23 1HE2 GLN 23 5.140 -13.047 3.880 613 HE22 GLN 23 2HE2 GLN 23 4.593 -11.765 4.988 614 H TYR 24 H TYR 24 10.079 -10.364 0.645 615 HA TYR 24 HA TYR 24 12.286 -8.855 1.801 616 HB2 TYR 24 1HB TYR 24 13.859 -9.134 0.070 617 HB3 TYR 24 2HB TYR 24 13.373 -10.754 0.505 618 HD1 TYR 24 1HD TYR 24 11.823 -12.063 -1.024 619 HD2 TYR 24 2HD TYR 24 13.450 -8.224 -2.164 620 HE1 TYR 24 1HE TYR 24 11.355 -12.562 -3.407 621 HE2 TYR 24 2HE TYR 24 12.965 -8.726 -4.536 622 HH TYR 24 HH TYR 24 11.774 -11.949 -5.623 623 H TYR 25 H TYR 25 12.740 -6.888 0.447 624 HA TYR 25 HA TYR 25 10.236 -5.993 -0.861 625 HB2 TYR 25 1HB TYR 25 9.936 -4.217 0.497 626 HB3 TYR 25 2HB TYR 25 10.477 -5.419 1.641 627 HD1 TYR 25 1HD TYR 25 13.454 -5.313 1.518 628 HD2 TYR 25 2HD TYR 25 10.541 -2.130 1.266 629 HE1 TYR 25 1HE TYR 25 15.117 -3.712 2.398 630 HE2 TYR 25 2HE TYR 25 12.206 -0.542 2.162 631 HH TYR 25 HH TYR 25 14.366 -0.257 2.888 632 H GLU 26 H GLU 26 10.278 -4.087 -1.961 633 HA GLU 26 HA GLU 26 12.692 -3.575 -3.628 634 HB2 GLU 26 1HB GLU 26 9.878 -4.465 -4.375 635 HB3 GLU 26 2HB GLU 26 10.942 -3.687 -5.530 636 HG2 GLU 26 1HG GLU 26 11.551 -6.292 -4.055 637 HG3 GLU 26 2HG GLU 26 10.942 -6.163 -5.704 638 H TYR 27 H TYR 27 12.987 -1.642 -2.679 639 HA TYR 27 HA TYR 27 10.814 0.359 -2.417 640 HB2 TYR 27 1HB TYR 27 12.020 -0.490 -0.467 641 HB3 TYR 27 2HB TYR 27 13.557 -0.016 -1.150 642 HD1 TYR 27 1HD TYR 27 10.413 1.188 0.403 643 HD2 TYR 27 2HD TYR 27 14.324 2.276 -1.042 644 HE1 TYR 27 1HE TYR 27 10.285 3.284 1.698 645 HE2 TYR 27 2HE TYR 27 14.224 4.380 0.287 646 HH TYR 27 HH TYR 27 11.434 5.124 2.392 647 H HIS 28 H HIS 28 10.661 1.578 -4.223 648 HA HIS 28 HA HIS 28 13.101 2.516 -5.651 649 HB2 HIS 28 1HB HIS 28 10.607 1.165 -6.745 650 HB3 HIS 28 2HB HIS 28 11.855 1.950 -7.718 651 HD1 HIS 28 1HD HIS 28 14.414 0.845 -7.354 652 HD2 HIS 28 2HD HIS 28 11.004 -1.373 -6.186 653 HE1 HIS 28 1HE HIS 28 15.166 -1.631 -7.171 654 HE2 HIS 28 2HE HIS 28 13.124 -2.968 -6.459 655 H LYS 29 H LYS 29 12.821 4.508 -4.702 656 HA LYS 29 HA LYS 29 10.656 6.329 -5.460 657 HB2 LYS 29 1HB LYS 29 13.530 6.843 -4.648 658 HB3 LYS 29 2HB LYS 29 12.251 8.060 -4.731 659 HG2 LYS 29 1HG LYS 29 11.014 6.954 -2.922 660 HG3 LYS 29 2HG LYS 29 12.197 5.636 -2.864 661 HD2 LYS 29 1HD LYS 29 13.996 7.270 -2.307 662 HD3 LYS 29 2HD LYS 29 12.755 8.551 -2.223 663 HE2 LYS 29 1HE LYS 29 11.548 7.330 -0.505 664 HE3 LYS 29 2HE LYS 29 12.671 5.975 -0.598 665 HZ1 LYS 29 3HZ LYS 29 14.149 7.093 0.681 666 HZ2 LYS 29 1HZ LYS 29 13.860 8.581 -0.013 667 HZ3 LYS 29 2HZ LYS 29 12.869 8.024 1.107 668 H GLY 30 H GLY 30 11.033 8.136 -6.988 669 HA2 GLY 30 1HA GLY 30 11.955 9.202 -8.844 670 HA3 GLY 30 2HA GLY 30 13.315 8.096 -8.779 671 H LEU 31 H LEU 31 10.104 6.676 -9.009 672 HA LEU 31 HA LEU 31 10.772 5.735 -11.771 673 HB2 LEU 31 1HB LEU 31 9.024 4.549 -9.565 674 HB3 LEU 31 2HB LEU 31 9.094 3.922 -11.188 675 HG LEU 31 HG LEU 31 11.201 3.787 -9.053 676 HD11 LEU 31 1HD1 LEU 31 9.555 1.968 -9.299 677 HD12 LEU 31 2HD1 LEU 31 9.953 1.797 -11.017 678 HD13 LEU 31 3HD1 LEU 31 11.154 1.382 -9.795 679 HD21 LEU 31 3HD2 LEU 31 12.539 4.565 -10.920 680 HD22 LEU 31 1HD2 LEU 31 12.793 2.833 -10.734 681 HD23 LEU 31 2HD2 LEU 31 11.744 3.435 -12.031 682 H SER 32 H SER 32 8.688 5.044 -12.974 683 HA SER 32 HA SER 32 6.445 6.901 -12.529 684 HB2 SER 32 1HB SER 32 6.398 7.619 -14.730 685 HB3 SER 32 2HB SER 32 8.097 7.750 -14.290 686 HG SER 32 HG SER 32 8.639 5.959 -15.533 687 H LEU 33 H LEU 33 4.638 6.190 -14.219 688 HA LEU 33 HA LEU 33 3.675 3.726 -13.205 689 HB2 LEU 33 1HB LEU 33 2.791 5.399 -15.588 690 HB3 LEU 33 2HB LEU 33 1.858 4.070 -14.918 691 HG LEU 33 HG LEU 33 2.607 6.622 -13.427 692 HD11 LEU 33 1HD1 LEU 33 -0.041 5.677 -14.587 693 HD12 LEU 33 2HD1 LEU 33 0.200 7.141 -13.611 694 HD13 LEU 33 3HD1 LEU 33 0.963 7.010 -15.197 695 HD21 LEU 33 3HD2 LEU 33 0.918 5.815 -11.740 696 HD22 LEU 33 1HD2 LEU 33 0.903 4.254 -12.555 697 HD23 LEU 33 2HD2 LEU 33 2.383 4.846 -11.794 698 H SER 34 H SER 34 5.509 4.328 -16.219 699 HA SER 34 HA SER 34 5.049 1.655 -17.288 700 HB2 SER 34 1HB SER 34 6.788 2.448 -18.920 701 HB3 SER 34 2HB SER 34 5.356 3.487 -18.824 702 HG SER 34 HG SER 34 7.358 4.672 -18.760 703 H ASP 35 H ASP 35 7.488 3.291 -15.263 704 HA ASP 35 HA ASP 35 9.421 1.118 -15.366 705 HB2 ASP 35 1HB ASP 35 9.052 3.262 -13.258 706 HB3 ASP 35 2HB ASP 35 10.498 2.288 -13.534 707 H PHE 36 H PHE 36 6.677 1.954 -13.287 708 HA PHE 36 HA PHE 36 6.929 -0.146 -11.365 709 HB2 PHE 36 1HB PHE 36 5.383 1.631 -10.982 710 HB3 PHE 36 2HB PHE 36 4.576 1.369 -12.512 711 HD1 PHE 36 2HD PHE 36 5.496 -0.953 -9.674 712 HD2 PHE 36 1HD PHE 36 2.388 0.612 -12.227 713 HE1 PHE 36 2HE PHE 36 3.883 -2.527 -8.670 714 HE2 PHE 36 1HE PHE 36 0.764 -0.949 -11.191 715 HZ PHE 36 HZ PHE 36 1.513 -2.539 -9.434 716 H GLU 37 H GLU 37 5.333 -0.167 -14.621 717 HA GLU 37 HA GLU 37 4.453 -2.875 -14.583 718 HB2 GLU 37 1HB GLU 37 5.247 -0.973 -16.812 719 HB3 GLU 37 2HB GLU 37 4.646 -2.575 -17.130 720 HG2 GLU 37 1HG GLU 37 3.073 -0.601 -15.435 721 HG3 GLU 37 2HG GLU 37 3.000 -0.584 -17.192 722 H VAL 38 H VAL 38 7.647 -1.479 -15.354 723 HA VAL 38 HA VAL 38 8.854 -3.964 -16.218 724 HB VAL 38 HB VAL 38 10.160 -1.472 -15.054 725 HG11 VAL 38 1HG1 VAL 38 11.438 -3.888 -16.386 726 HG12 VAL 38 2HG1 VAL 38 12.261 -2.356 -16.018 727 HG13 VAL 38 3HG1 VAL 38 11.668 -3.365 -14.703 728 HG21 VAL 38 3HG2 VAL 38 10.801 -1.058 -17.416 729 HG22 VAL 38 1HG2 VAL 38 9.868 -2.485 -17.913 730 HG23 VAL 38 2HG2 VAL 38 9.053 -1.077 -17.224 731 H LEU 39 H LEU 39 8.846 -2.318 -13.022 732 HA LEU 39 HA LEU 39 10.284 -4.317 -11.610 733 HB2 LEU 39 1HB LEU 39 9.778 -1.997 -10.803 734 HB3 LEU 39 2HB LEU 39 8.099 -2.456 -10.586 735 HG LEU 39 HG LEU 39 8.862 -4.226 -8.939 736 HD11 LEU 39 1HD1 LEU 39 11.535 -3.040 -9.564 737 HD12 LEU 39 2HD1 LEU 39 11.199 -3.582 -7.918 738 HD13 LEU 39 3HD1 LEU 39 11.068 -4.713 -9.243 739 HD21 LEU 39 3HD2 LEU 39 9.178 -2.610 -7.109 740 HD22 LEU 39 1HD2 LEU 39 9.483 -1.324 -8.312 741 HD23 LEU 39 2HD2 LEU 39 7.903 -2.146 -8.229 742 H TYR 40 H TYR 40 6.736 -3.901 -11.848 743 HA TYR 40 HA TYR 40 6.070 -6.267 -10.356 744 HB2 TYR 40 1HB TYR 40 4.607 -4.285 -10.687 745 HB3 TYR 40 2HB TYR 40 4.427 -4.718 -12.384 746 HD1 TYR 40 2HD TYR 40 3.795 -5.898 -8.880 747 HD2 TYR 40 1HD TYR 40 2.829 -6.382 -13.057 748 HE1 TYR 40 2HE TYR 40 1.885 -7.380 -8.271 749 HE2 TYR 40 1HE TYR 40 0.923 -7.848 -12.453 750 HH TYR 40 HH TYR 40 -0.301 -8.739 -10.754 751 H GLY 41 H GLY 41 6.575 -5.726 -13.892 752 HA2 GLY 41 1HA GLY 41 5.690 -8.369 -14.650 753 HA3 GLY 41 2HA GLY 41 6.528 -7.182 -15.644 754 H ASN 42 H ASN 42 8.895 -7.053 -13.690 755 HA ASN 42 HA ASN 42 10.301 -9.417 -14.719 756 HB2 ASN 42 1HB ASN 42 11.230 -7.079 -14.777 757 HB3 ASN 42 2HB ASN 42 11.300 -7.090 -13.013 758 HD21 ASN 42 1HD2 ASN 42 13.338 -7.766 -12.172 759 HD22 ASN 42 2HD2 ASN 42 14.396 -8.802 -13.134 760 H THR 43 H THR 43 9.071 -8.208 -11.614 761 HA THR 43 HA THR 43 10.381 -10.263 -10.056 762 HB THR 43 HB THR 43 8.690 -9.616 -8.260 763 HG1 THR 43 1HG THR 43 8.220 -7.406 -9.972 764 HG21 THR 43 3HG2 THR 43 10.450 -7.424 -9.439 765 HG22 THR 43 1HG2 THR 43 9.816 -7.483 -7.781 766 HG23 THR 43 2HG2 THR 43 10.972 -8.704 -8.327 767 H ALA 44 H ALA 44 9.782 -12.302 -9.661 768 HA ALA 44 HA ALA 44 7.107 -13.241 -10.593 769 HB1 ALA 44 3HB ALA 44 8.103 -14.995 -11.582 770 HB2 ALA 44 1HB ALA 44 9.522 -13.954 -11.602 771 HB3 ALA 44 2HB ALA 44 9.338 -15.172 -10.334 772 H ASP 45 H ASP 45 8.720 -12.605 -7.763 773 HA ASP 45 HA ASP 45 8.016 -14.904 -6.119 774 HB2 ASP 45 1HB ASP 45 9.273 -12.208 -5.576 775 HB3 ASP 45 2HB ASP 45 8.998 -13.430 -4.330 776 H GLU 46 H GLU 46 5.819 -14.146 -7.342 777 HA GLU 46 HA GLU 46 3.679 -13.328 -7.280 778 HB2 GLU 46 1HB GLU 46 3.967 -14.279 -4.411 779 HB3 GLU 46 2HB GLU 46 2.434 -13.957 -5.235 780 HG2 GLU 46 1HG GLU 46 3.107 -15.633 -7.003 781 HG3 GLU 46 2HG GLU 46 4.486 -16.074 -5.991 782 H ILE 47 H ILE 47 2.955 -12.285 -4.273 783 HA ILE 47 HA ILE 47 3.950 -9.632 -4.213 784 HB ILE 47 HB ILE 47 2.565 -9.330 -6.224 785 HG12 ILE 47 1HG1 ILE 47 0.977 -7.570 -5.457 786 HG13 ILE 47 2HG1 ILE 47 1.285 -8.037 -3.798 787 HG21 ILE 47 1HG2 ILE 47 0.974 -11.235 -5.817 788 HG22 ILE 47 2HG2 ILE 47 0.153 -10.231 -4.628 789 HG23 ILE 47 3HG2 ILE 47 0.219 -9.744 -6.330 790 HD11 ILE 47 3HD1 ILE 47 3.833 -7.546 -4.480 791 HD12 ILE 47 1HD1 ILE 47 3.063 -6.615 -5.760 792 HD13 ILE 47 2HD1 ILE 47 2.727 -6.256 -4.068 793 H ILE 48 H ILE 48 3.633 -8.801 -2.231 794 HA ILE 48 HA ILE 48 1.642 -10.083 -0.412 795 HB ILE 48 HB ILE 48 4.434 -9.139 0.310 796 HG12 ILE 48 1HG1 ILE 48 4.653 -11.219 -0.933 797 HG13 ILE 48 2HG1 ILE 48 5.048 -11.415 0.754 798 HG21 ILE 48 1HG2 ILE 48 2.237 -10.397 1.997 799 HG22 ILE 48 2HG2 ILE 48 3.928 -10.209 2.520 800 HG23 ILE 48 3HG2 ILE 48 2.936 -8.794 2.174 801 HD11 ILE 48 3HD1 ILE 48 2.634 -12.372 1.018 802 HD12 ILE 48 1HD1 ILE 48 2.660 -12.493 -0.737 803 HD13 ILE 48 2HD1 ILE 48 3.850 -13.347 0.222 804 H LYS 49 H LYS 49 3.746 -7.201 -0.857 805 HA LYS 49 HA LYS 49 1.391 -5.467 -0.292 806 HB2 LYS 49 1HB LYS 49 4.159 -4.833 0.796 807 HB3 LYS 49 2HB LYS 49 2.695 -3.889 0.987 808 HG2 LYS 49 1HG LYS 49 1.698 -5.773 2.317 809 HG3 LYS 49 2HG LYS 49 3.227 -6.635 2.159 810 HD2 LYS 49 1HD LYS 49 3.372 -5.631 4.279 811 HD3 LYS 49 2HD LYS 49 4.389 -4.663 3.219 812 HE2 LYS 49 1HE LYS 49 3.217 -3.086 4.528 813 HE3 LYS 49 2HE LYS 49 2.408 -3.058 2.956 814 HZ1 LYS 49 3HZ LYS 49 0.809 -3.157 4.803 815 HZ2 LYS 49 1HZ LYS 49 0.677 -4.467 3.854 816 HZ3 LYS 49 2HZ LYS 49 1.427 -4.615 5.283 817 H LEU 50 H LEU 50 1.367 -3.553 -1.357 818 HA LEU 50 HA LEU 50 3.654 -2.661 -3.010 819 HB2 LEU 50 1HB LEU 50 2.656 -4.065 -4.604 820 HB3 LEU 50 2HB LEU 50 1.042 -3.735 -4.018 821 HG LEU 50 HG LEU 50 1.129 -1.461 -5.011 822 HD11 LEU 50 1HD1 LEU 50 3.720 -2.416 -6.296 823 HD12 LEU 50 2HD1 LEU 50 2.865 -0.898 -6.635 824 HD13 LEU 50 3HD1 LEU 50 3.624 -1.157 -5.061 825 HD21 LEU 50 3HD2 LEU 50 1.706 -3.737 -6.938 826 HD22 LEU 50 1HD2 LEU 50 0.141 -3.419 -6.169 827 HD23 LEU 50 2HD2 LEU 50 0.814 -2.236 -7.286 828 H ARG 51 H ARG 51 3.901 -0.610 -2.532 829 HA ARG 51 HA ARG 51 1.482 1.127 -2.634 830 HB2 ARG 51 1HB ARG 51 3.498 1.146 -0.642 831 HB3 ARG 51 2HB ARG 51 3.909 2.484 -1.711 832 HG2 ARG 51 1HG ARG 51 1.521 3.313 -1.517 833 HG3 ARG 51 2HG ARG 51 1.207 1.975 -0.423 834 HD2 ARG 51 1HD ARG 51 1.558 3.793 1.007 835 HD3 ARG 51 2HD ARG 51 3.074 2.904 1.071 836 HE ARG 51 HE ARG 51 2.557 5.530 -0.298 837 HH11 ARG 51 2HH2 ARG 51 5.135 3.236 0.543 838 HH12 ARG 51 1HH2 ARG 51 6.305 4.319 -0.219 839 HH21 ARG 51 2HH1 ARG 51 4.095 6.836 -0.912 840 HH22 ARG 51 1HH1 ARG 51 5.745 6.132 -1.097 841 H LEU 52 H LEU 52 1.369 2.501 -4.257 842 HA LEU 52 HA LEU 52 3.827 3.316 -5.662 843 HB2 LEU 52 1HB LEU 52 2.969 1.752 -7.206 844 HB3 LEU 52 2HB LEU 52 1.320 2.311 -7.045 845 HG LEU 52 HG LEU 52 3.345 4.318 -8.007 846 HD11 LEU 52 1HD1 LEU 52 3.374 3.528 -10.257 847 HD12 LEU 52 2HD1 LEU 52 3.835 2.173 -9.243 848 HD13 LEU 52 3HD1 LEU 52 2.197 2.244 -9.902 849 HD21 LEU 52 3HD2 LEU 52 1.430 4.965 -9.493 850 HD22 LEU 52 1HD2 LEU 52 0.459 3.681 -8.792 851 HD23 LEU 52 2HD2 LEU 52 0.986 5.038 -7.796 852 H ASP 53 H ASP 53 3.930 5.496 -5.726 853 HA ASP 53 HA ASP 53 1.558 7.115 -4.886 854 HB2 ASP 53 1HB ASP 53 2.760 5.927 -2.985 855 HB3 ASP 53 2HB ASP 53 4.182 6.888 -3.347 856 H LYS 54 H LYS 54 1.504 8.737 -6.424 857 HA LYS 54 HA LYS 54 3.924 9.872 -7.553 858 HB2 LYS 54 1HB LYS 54 1.526 9.821 -8.549 859 HB3 LYS 54 2HB LYS 54 1.235 11.220 -7.554 860 HG2 LYS 54 1HG LYS 54 3.687 11.168 -9.326 861 HG3 LYS 54 2HG LYS 54 2.119 11.413 -10.082 862 HD2 LYS 54 1HD LYS 54 1.692 13.430 -8.947 863 HD3 LYS 54 2HD LYS 54 2.925 13.156 -7.740 864 HE2 LYS 54 1HE LYS 54 3.549 13.622 -10.692 865 HE3 LYS 54 2HE LYS 54 3.506 14.895 -9.463 866 HZ1 LYS 54 3HZ LYS 54 5.379 12.587 -9.407 867 HZ2 LYS 54 1HZ LYS 54 5.798 14.180 -9.638 868 HZ3 LYS 54 2HZ LYS 54 5.190 13.682 -8.218 869 H VAL 55 H VAL 55 5.311 10.774 -6.443 870 HA VAL 55 HA VAL 55 4.993 12.112 -3.911 871 HB VAL 55 HB VAL 55 7.161 11.994 -5.968 872 HG11 VAL 55 1HG1 VAL 55 8.834 12.577 -4.412 873 HG12 VAL 55 2HG1 VAL 55 7.709 13.895 -4.593 874 HG13 VAL 55 3HG1 VAL 55 7.618 12.876 -3.130 875 HG21 VAL 55 3HG2 VAL 55 8.223 10.282 -4.477 876 HG22 VAL 55 1HG2 VAL 55 6.831 10.410 -3.377 877 HG23 VAL 55 2HG2 VAL 55 6.637 9.756 -5.009 878 H LEU 56 H LEU 56 5.554 14.159 -3.559 879 HA LEU 56 HA LEU 56 4.607 16.315 -5.420 880 HB2 LEU 56 1HB LEU 56 3.638 15.773 -2.577 881 HB3 LEU 56 2HB LEU 56 3.146 17.137 -3.563 882 HG LEU 56 HG LEU 56 2.501 14.215 -4.171 883 HD11 LEU 56 1HD1 LEU 56 0.730 16.438 -3.090 884 HD12 LEU 56 2HD1 LEU 56 0.214 14.792 -3.505 885 HD13 LEU 56 3HD1 LEU 56 1.338 15.048 -2.170 886 HD21 LEU 56 3HD2 LEU 56 0.930 15.161 -5.856 887 HD22 LEU 56 1HD2 LEU 56 1.549 16.789 -5.508 888 HD23 LEU 56 2HD2 LEU 56 2.604 15.565 -6.236 Start of MODEL 4 1 H1 MET 1 1H MET 1 -7.424 -17.531 8.681 2 H2 MET 1 2H MET 1 -7.669 -16.056 9.350 3 H3 MET 1 3H MET 1 -8.644 -16.570 8.118 4 HA MET 1 HA MET 1 -9.396 -18.413 9.518 5 HB2 MET 1 1HB MET 1 -7.266 -18.110 11.019 6 HB3 MET 1 2HB MET 1 -8.241 -16.881 11.886 7 HG2 MET 1 1HG MET 1 -8.548 -19.059 12.937 8 HG3 MET 1 2HG MET 1 -10.050 -18.576 12.146 9 HE1 MET 1 3HE MET 1 -10.249 -22.308 11.880 10 HE2 MET 1 1HE MET 1 -9.822 -21.091 13.183 11 HE3 MET 1 2HE MET 1 -11.122 -20.749 12.041 12 H VAL 2 H VAL 2 -9.159 -15.081 10.890 13 HA VAL 2 HA VAL 2 -12.074 -14.760 10.570 14 HB VAL 2 HB VAL 2 -12.121 -13.590 12.748 15 HG11 VAL 2 1HG1 VAL 2 -12.182 -15.523 14.186 16 HG12 VAL 2 2HG1 VAL 2 -12.799 -15.970 12.584 17 HG13 VAL 2 3HG1 VAL 2 -11.161 -16.456 13.075 18 HG21 VAL 2 3HG2 VAL 2 -10.341 -13.817 14.391 19 HG22 VAL 2 1HG2 VAL 2 -9.336 -14.730 13.252 20 HG23 VAL 2 2HG2 VAL 2 -9.700 -13.014 12.954 21 H GLN 3 H GLN 3 -12.531 -12.354 11.002 22 HA GLN 3 HA GLN 3 -11.047 -10.666 9.216 23 HB2 GLN 3 1HB GLN 3 -12.743 -9.026 9.868 24 HB3 GLN 3 2HB GLN 3 -13.442 -10.575 9.395 25 HG2 GLN 3 1HG GLN 3 -13.845 -11.170 11.763 26 HG3 GLN 3 2HG GLN 3 -13.068 -9.678 12.298 27 HE21 GLN 3 1HE2 GLN 3 -15.904 -10.924 10.422 28 HE22 GLN 3 2HE2 GLN 3 -16.809 -9.440 10.762 29 H ASN 4 H ASN 4 -9.120 -11.409 10.774 30 HA ASN 4 HA ASN 4 -8.380 -9.551 12.899 31 HB2 ASN 4 1HB ASN 4 -7.313 -11.769 12.586 32 HB3 ASN 4 2HB ASN 4 -6.780 -11.304 10.961 33 HD21 ASN 4 1HD2 ASN 4 -6.445 -10.323 14.432 34 HD22 ASN 4 2HD2 ASN 4 -4.817 -9.697 14.141 35 H ASP 5 H ASP 5 -8.230 -9.597 9.411 36 HA ASP 5 HA ASP 5 -7.643 -6.712 9.344 37 HB2 ASP 5 1HB ASP 5 -5.580 -8.170 8.765 38 HB3 ASP 5 2HB ASP 5 -6.472 -8.644 7.319 39 H PHE 6 H PHE 6 -7.956 -6.682 6.388 40 HA PHE 6 HA PHE 6 -10.800 -6.395 6.365 41 HB2 PHE 6 1HB PHE 6 -8.764 -6.427 4.112 42 HB3 PHE 6 2HB PHE 6 -10.417 -5.863 3.958 43 HD1 PHE 6 2HD PHE 6 -11.029 -4.171 6.162 44 HD2 PHE 6 1HD PHE 6 -7.227 -4.674 4.183 45 HE1 PHE 6 2HE PHE 6 -10.378 -1.874 6.837 46 HE2 PHE 6 1HE PHE 6 -6.606 -2.346 4.834 47 HZ PHE 6 HZ PHE 6 -8.174 -0.954 6.143 48 H VAL 7 H VAL 7 -9.398 -9.228 6.338 49 HA VAL 7 HA VAL 7 -9.582 -11.306 5.668 50 HB VAL 7 HB VAL 7 -11.628 -10.509 7.028 51 HG11 VAL 7 1HG1 VAL 7 -13.809 -11.130 6.194 52 HG12 VAL 7 2HG1 VAL 7 -13.125 -9.916 5.115 53 HG13 VAL 7 3HG1 VAL 7 -13.136 -11.619 4.625 54 HG21 VAL 7 3HG2 VAL 7 -10.605 -12.736 7.141 55 HG22 VAL 7 1HG2 VAL 7 -12.367 -12.787 7.328 56 HG23 VAL 7 2HG2 VAL 7 -11.626 -13.281 5.797 57 H ASP 8 H ASP 8 -10.237 -13.016 4.273 58 HA ASP 8 HA ASP 8 -10.926 -14.084 2.432 59 HB2 ASP 8 1HB ASP 8 -12.880 -12.525 2.323 60 HB3 ASP 8 2HB ASP 8 -11.979 -11.495 1.221 61 H SER 9 H SER 9 -9.988 -11.009 0.962 62 HA SER 9 HA SER 9 -7.676 -12.211 -0.454 63 HB2 SER 9 1HB SER 9 -10.088 -11.241 -2.039 64 HB3 SER 9 2HB SER 9 -8.567 -11.915 -2.663 65 HG SER 9 HG SER 9 -10.720 -13.247 -1.340 66 H TYR 10 H TYR 10 -7.095 -10.476 -2.339 67 HA TYR 10 HA TYR 10 -5.618 -8.596 -0.969 68 HB2 TYR 10 1HB TYR 10 -6.437 -8.627 -3.870 69 HB3 TYR 10 2HB TYR 10 -5.364 -7.435 -3.186 70 HD1 TYR 10 2HD TYR 10 -5.715 -11.121 -3.790 71 HD2 TYR 10 1HD TYR 10 -3.141 -7.896 -2.551 72 HE1 TYR 10 2HE TYR 10 -3.742 -12.657 -3.859 73 HE2 TYR 10 1HE TYR 10 -1.176 -9.426 -2.629 74 HH TYR 10 HH TYR 10 -0.400 -11.571 -3.030 75 H ASP 11 H ASP 11 -5.777 -6.626 -0.231 76 HA ASP 11 HA ASP 11 -8.156 -4.872 -0.639 77 HB2 ASP 11 1HB ASP 11 -7.182 -4.982 1.631 78 HB3 ASP 11 2HB ASP 11 -5.617 -4.480 0.982 79 H VAL 12 H VAL 12 -8.073 -3.248 -2.100 80 HA VAL 12 HA VAL 12 -5.454 -2.173 -2.973 81 HB VAL 12 HB VAL 12 -7.808 -2.625 -4.856 82 HG11 VAL 12 1HG1 VAL 12 -5.009 -1.468 -5.267 83 HG12 VAL 12 2HG1 VAL 12 -6.171 -1.854 -6.549 84 HG13 VAL 12 3HG1 VAL 12 -6.552 -0.581 -5.389 85 HG21 VAL 12 3HG2 VAL 12 -5.072 -3.944 -4.837 86 HG22 VAL 12 1HG2 VAL 12 -6.568 -4.746 -4.352 87 HG23 VAL 12 2HG2 VAL 12 -6.393 -4.193 -6.013 88 H THR 13 H THR 13 -5.680 -0.621 -1.440 89 HA THR 13 HA THR 13 -7.976 1.263 -1.549 90 HB THR 13 HB THR 13 -5.430 1.251 0.103 91 HG1 THR 13 1HG THR 13 -6.819 -0.438 0.754 92 HG21 THR 13 3HG2 THR 13 -7.921 3.007 0.219 93 HG22 THR 13 1HG2 THR 13 -6.681 2.930 1.490 94 HG23 THR 13 2HG2 THR 13 -6.261 3.544 -0.117 95 H MET 14 H MET 14 -7.926 2.290 -3.553 96 HA MET 14 HA MET 14 -5.345 3.469 -4.469 97 HB2 MET 14 1HB MET 14 -6.556 1.934 -5.948 98 HB3 MET 14 2HB MET 14 -7.941 3.020 -5.981 99 HG2 MET 14 1HG MET 14 -6.638 4.747 -7.084 100 HG3 MET 14 2HG MET 14 -5.141 3.836 -6.861 101 HE1 MET 14 3HE MET 14 -5.505 0.930 -9.436 102 HE2 MET 14 1HE MET 14 -4.498 1.689 -8.177 103 HE3 MET 14 2HE MET 14 -6.006 0.853 -7.736 104 H LEU 15 H LEU 15 -5.381 5.628 -5.366 105 HA LEU 15 HA LEU 15 -7.473 7.473 -4.404 106 HB2 LEU 15 1HB LEU 15 -5.265 6.944 -2.910 107 HB3 LEU 15 2HB LEU 15 -4.594 8.169 -3.989 108 HG LEU 15 HG LEU 15 -7.111 8.573 -2.326 109 HD11 LEU 15 1HD1 LEU 15 -5.633 9.777 -0.765 110 HD12 LEU 15 2HD1 LEU 15 -5.123 8.088 -0.924 111 HD13 LEU 15 3HD1 LEU 15 -4.219 9.371 -1.762 112 HD21 LEU 15 3HD2 LEU 15 -6.894 10.195 -4.197 113 HD22 LEU 15 1HD2 LEU 15 -6.571 10.982 -2.656 114 HD23 LEU 15 2HD2 LEU 15 -5.222 10.541 -3.721 115 H LEU 16 H LEU 16 -7.926 8.929 -5.880 116 HA LEU 16 HA LEU 16 -6.084 9.459 -8.172 117 HB2 LEU 16 1HB LEU 16 -9.051 8.765 -8.269 118 HB3 LEU 16 2HB LEU 16 -8.089 9.256 -9.666 119 HG LEU 16 HG LEU 16 -7.591 6.730 -8.022 120 HD11 LEU 16 1HD1 LEU 16 -8.841 7.097 -10.752 121 HD12 LEU 16 2HD1 LEU 16 -8.432 5.546 -9.968 122 HD13 LEU 16 3HD1 LEU 16 -9.678 6.602 -9.265 123 HD21 LEU 16 3HD2 LEU 16 -5.578 7.596 -9.082 124 HD22 LEU 16 1HD2 LEU 16 -6.093 6.116 -9.870 125 HD23 LEU 16 2HD2 LEU 16 -6.394 7.700 -10.656 126 H GLN 17 H GLN 17 -7.150 11.234 -9.572 127 HA GLN 17 HA GLN 17 -8.212 13.381 -7.807 128 HB2 GLN 17 1HB GLN 17 -5.738 13.477 -8.144 129 HB3 GLN 17 2HB GLN 17 -6.016 13.724 -9.876 130 HG2 GLN 17 1HG GLN 17 -7.227 15.815 -9.367 131 HG3 GLN 17 2HG GLN 17 -7.074 15.508 -7.629 132 HE21 GLN 17 1HE2 GLN 17 -5.273 16.348 -10.615 133 HE22 GLN 17 2HE2 GLN 17 -3.878 16.942 -9.717 134 H ASP 18 H ASP 18 -9.807 14.537 -8.548 135 HA ASP 18 HA ASP 18 -11.103 13.930 -11.086 136 HB2 ASP 18 1HB ASP 18 -12.251 14.384 -8.885 137 HB3 ASP 18 2HB ASP 18 -11.640 16.048 -8.969 138 H ASP 19 H ASP 19 -11.766 15.710 -12.555 139 HA ASP 19 HA ASP 19 -9.608 17.209 -13.660 140 HB2 ASP 19 1HB ASP 19 -11.651 16.356 -14.836 141 HB3 ASP 19 2HB ASP 19 -12.618 17.567 -13.984 142 H ASP 20 H ASP 20 -12.092 18.095 -11.239 143 HA ASP 20 HA ASP 20 -11.456 20.933 -11.208 144 HB2 ASP 20 1HB ASP 20 -13.595 19.901 -10.465 145 HB3 ASP 20 2HB ASP 20 -12.746 19.148 -9.106 146 H GLY 21 H GLY 21 -9.609 18.251 -10.225 147 HA2 GLY 21 1HA GLY 21 -7.490 18.312 -9.262 148 HA3 GLY 21 2HA GLY 21 -7.815 19.890 -8.519 149 H LYS 22 H LYS 22 -10.451 17.954 -7.961 150 HA LYS 22 HA LYS 22 -9.906 17.667 -5.134 151 HB2 LYS 22 1HB LYS 22 -12.129 18.192 -6.010 152 HB3 LYS 22 2HB LYS 22 -12.182 16.648 -6.883 153 HG2 LYS 22 1HG LYS 22 -12.041 15.414 -4.736 154 HG3 LYS 22 2HG LYS 22 -11.965 16.966 -3.859 155 HD2 LYS 22 1HD LYS 22 -14.160 17.587 -4.696 156 HD3 LYS 22 2HD LYS 22 -14.249 16.118 -5.693 157 HE2 LYS 22 1HE LYS 22 -14.729 14.744 -3.986 158 HE3 LYS 22 2HE LYS 22 -13.582 15.541 -2.886 159 HZ1 LYS 22 3HZ LYS 22 -16.140 16.786 -3.596 160 HZ2 LYS 22 1HZ LYS 22 -15.987 15.782 -2.299 161 HZ3 LYS 22 2HZ LYS 22 -15.110 17.193 -2.375 162 H GLN 23 H GLN 23 -8.671 16.135 -4.291 163 HA GLN 23 HA GLN 23 -8.186 13.588 -5.657 164 HB2 GLN 23 1HB GLN 23 -7.213 14.726 -3.012 165 HB3 GLN 23 2HB GLN 23 -6.767 13.126 -3.646 166 HG2 GLN 23 1HG GLN 23 -5.895 14.160 -5.711 167 HG3 GLN 23 2HG GLN 23 -6.287 15.770 -5.091 168 HE21 GLN 23 1HE2 GLN 23 -3.823 15.619 -5.848 169 HE22 GLN 23 2HE2 GLN 23 -2.766 15.381 -4.408 170 H TYR 24 H TYR 24 -8.998 11.621 -5.147 171 HA TYR 24 HA TYR 24 -10.810 11.376 -2.814 172 HB2 TYR 24 1HB TYR 24 -12.645 10.565 -4.132 173 HB3 TYR 24 2HB TYR 24 -12.209 12.180 -4.658 174 HD1 TYR 24 1HD TYR 24 -11.129 12.547 -6.890 175 HD2 TYR 24 2HD TYR 24 -12.423 8.626 -5.598 176 HE1 TYR 24 1HE TYR 24 -11.044 11.739 -9.240 177 HE2 TYR 24 2HE TYR 24 -12.336 7.833 -7.950 178 HH TYR 24 HH TYR 24 -11.261 9.914 -10.641 179 H TYR 25 H TYR 25 -11.209 9.342 -2.109 180 HA TYR 25 HA TYR 25 -9.155 7.332 -2.730 181 HB2 TYR 25 1HB TYR 25 -11.254 7.697 -0.570 182 HB3 TYR 25 2HB TYR 25 -10.482 6.142 -0.831 183 HD1 TYR 25 1HD TYR 25 -9.807 9.677 0.141 184 HD2 TYR 25 2HD TYR 25 -8.245 5.667 -0.205 185 HE1 TYR 25 1HE TYR 25 -7.868 10.320 1.549 186 HE2 TYR 25 2HE TYR 25 -6.303 6.307 1.228 187 HH TYR 25 HH TYR 25 -5.952 9.598 2.559 188 H GLU 26 H GLU 26 -9.522 5.318 -3.311 189 HA GLU 26 HA GLU 26 -12.170 4.367 -4.291 190 HB2 GLU 26 1HB GLU 26 -9.515 4.669 -5.727 191 HB3 GLU 26 2HB GLU 26 -10.597 3.354 -6.175 192 HG2 GLU 26 1HG GLU 26 -11.439 6.282 -6.135 193 HG3 GLU 26 2HG GLU 26 -10.813 5.447 -7.557 194 H TYR 27 H TYR 27 -12.160 3.316 -2.219 195 HA TYR 27 HA TYR 27 -10.202 1.274 -1.513 196 HB2 TYR 27 1HB TYR 27 -13.037 1.839 -0.541 197 HB3 TYR 27 2HB TYR 27 -11.981 0.604 0.126 198 HD1 TYR 27 2HD TYR 27 -10.015 1.163 1.482 199 HD2 TYR 27 1HD TYR 27 -12.613 4.235 -0.102 200 HE1 TYR 27 2HE TYR 27 -9.068 2.811 3.095 201 HE2 TYR 27 1HE TYR 27 -11.648 5.875 1.493 202 HH TYR 27 HH TYR 27 -10.104 6.224 3.145 203 H HIS 28 H HIS 28 -10.026 -0.635 -2.594 204 HA HIS 28 HA HIS 28 -12.514 -2.067 -3.420 205 HB2 HIS 28 1HB HIS 28 -10.018 -1.576 -5.092 206 HB3 HIS 28 2HB HIS 28 -11.316 -2.703 -5.500 207 HD1 HIS 28 1HD HIS 28 -13.806 -1.577 -5.894 208 HD2 HIS 28 2HD HIS 28 -10.403 0.922 -5.820 209 HE1 HIS 28 1HE HIS 28 -14.512 0.676 -6.983 210 HE2 HIS 28 2HE HIS 28 -12.475 2.176 -6.960 211 H LYS 29 H LYS 29 -12.370 -3.464 -1.710 212 HA LYS 29 HA LYS 29 -9.925 -5.160 -1.495 213 HB2 LYS 29 1HB LYS 29 -10.421 -5.383 0.862 214 HB3 LYS 29 2HB LYS 29 -10.494 -3.665 0.439 215 HG2 LYS 29 1HG LYS 29 -12.984 -3.852 0.209 216 HG3 LYS 29 2HG LYS 29 -12.880 -5.529 0.792 217 HD2 LYS 29 1HD LYS 29 -11.988 -4.770 2.924 218 HD3 LYS 29 2HD LYS 29 -11.940 -3.082 2.344 219 HE2 LYS 29 1HE LYS 29 -14.396 -3.188 1.939 220 HE3 LYS 29 2HE LYS 29 -14.423 -4.851 2.561 221 HZ1 LYS 29 3HZ LYS 29 -15.060 -3.238 4.243 222 HZ2 LYS 29 1HZ LYS 29 -13.677 -4.013 4.683 223 HZ3 LYS 29 2HZ LYS 29 -13.609 -2.470 4.114 224 H GLY 30 H GLY 30 -10.305 -7.323 -0.528 225 HA2 GLY 30 1HA GLY 30 -11.218 -9.434 -0.604 226 HA3 GLY 30 2HA GLY 30 -12.813 -8.709 -0.866 227 H LEU 31 H LEU 31 -9.874 -8.389 -2.884 228 HA LEU 31 HA LEU 31 -11.100 -9.980 -5.050 229 HB2 LEU 31 1HB LEU 31 -10.771 -8.158 -6.689 230 HB3 LEU 31 2HB LEU 31 -12.017 -7.875 -5.504 231 HG LEU 31 HG LEU 31 -10.640 -6.278 -4.281 232 HD11 LEU 31 1HD1 LEU 31 -8.340 -7.051 -4.712 233 HD12 LEU 31 2HD1 LEU 31 -8.522 -6.664 -6.443 234 HD13 LEU 31 3HD1 LEU 31 -8.569 -5.383 -5.216 235 HD21 LEU 31 3HD2 LEU 31 -10.555 -4.558 -6.063 236 HD22 LEU 31 1HD2 LEU 31 -10.780 -5.801 -7.286 237 HD23 LEU 31 2HD2 LEU 31 -12.070 -5.499 -6.098 238 H SER 32 H SER 32 -9.125 -9.271 -7.077 239 HA SER 32 HA SER 32 -6.649 -10.271 -5.757 240 HB2 SER 32 1HB SER 32 -6.574 -12.133 -7.106 241 HB3 SER 32 2HB SER 32 -8.262 -12.059 -6.612 242 HG SER 32 HG SER 32 -8.432 -10.638 -8.752 243 H LEU 33 H LEU 33 -4.904 -10.645 -7.619 244 HA LEU 33 HA LEU 33 -4.148 -7.990 -8.353 245 HB2 LEU 33 1HB LEU 33 -3.049 -10.702 -9.180 246 HB3 LEU 33 2HB LEU 33 -2.354 -9.185 -9.667 247 HG LEU 33 HG LEU 33 -0.980 -9.453 -7.971 248 HD11 LEU 33 1HD1 LEU 33 -3.282 -8.618 -6.185 249 HD12 LEU 33 2HD1 LEU 33 -1.554 -8.492 -5.843 250 HD13 LEU 33 3HD1 LEU 33 -2.232 -7.551 -7.178 251 HD21 LEU 33 3HD2 LEU 33 -3.007 -11.159 -6.479 252 HD22 LEU 33 1HD2 LEU 33 -1.673 -11.727 -7.536 253 HD23 LEU 33 2HD2 LEU 33 -1.307 -10.882 -6.023 254 H SER 34 H SER 34 -5.712 -10.570 -10.322 255 HA SER 34 HA SER 34 -5.553 -9.148 -12.799 256 HB2 SER 34 1HB SER 34 -7.633 -11.145 -11.791 257 HB3 SER 34 2HB SER 34 -7.330 -10.675 -13.475 258 HG SER 34 HG SER 34 -5.083 -11.402 -12.993 259 H ASP 35 H ASP 35 -7.671 -8.820 -9.987 260 HA ASP 35 HA ASP 35 -9.646 -7.145 -11.372 261 HB2 ASP 35 1HB ASP 35 -9.266 -7.659 -8.406 262 HB3 ASP 35 2HB ASP 35 -10.703 -7.027 -9.206 263 H PHE 36 H PHE 36 -6.849 -6.730 -9.209 264 HA PHE 36 HA PHE 36 -6.860 -3.869 -8.992 265 HB2 PHE 36 1HB PHE 36 -5.332 -5.076 -7.624 266 HB3 PHE 36 2HB PHE 36 -4.718 -5.996 -8.957 267 HD1 PHE 36 2HD PHE 36 -5.062 -2.295 -8.323 268 HD2 PHE 36 1HD PHE 36 -2.511 -5.568 -9.492 269 HE1 PHE 36 2HE PHE 36 -3.183 -0.718 -8.619 270 HE2 PHE 36 1HE PHE 36 -0.630 -3.984 -9.803 271 HZ PHE 36 HZ PHE 36 -0.962 -1.547 -9.352 272 H GLU 37 H GLU 37 -5.363 -6.005 -11.520 273 HA GLU 37 HA GLU 37 -4.411 -3.942 -13.190 274 HB2 GLU 37 1HB GLU 37 -5.305 -6.799 -13.666 275 HB3 GLU 37 2HB GLU 37 -4.759 -5.772 -14.996 276 HG2 GLU 37 1HG GLU 37 -2.612 -5.389 -13.952 277 HG3 GLU 37 2HG GLU 37 -3.140 -6.156 -12.457 278 H VAL 38 H VAL 38 -7.723 -5.206 -12.941 279 HA VAL 38 HA VAL 38 -8.739 -3.658 -15.188 280 HB VAL 38 HB VAL 38 -10.187 -4.858 -12.793 281 HG11 VAL 38 1HG1 VAL 38 -11.335 -3.548 -15.282 282 HG12 VAL 38 2HG1 VAL 38 -12.249 -4.530 -14.118 283 HG13 VAL 38 3HG1 VAL 38 -11.540 -3.007 -13.598 284 HG21 VAL 38 3HG2 VAL 38 -11.036 -6.319 -14.856 285 HG22 VAL 38 1HG2 VAL 38 -9.504 -5.782 -15.589 286 HG23 VAL 38 2HG2 VAL 38 -9.509 -6.680 -14.057 287 H LEU 39 H LEU 39 -8.770 -3.026 -11.628 288 HA LEU 39 HA LEU 39 -9.942 -0.448 -11.807 289 HB2 LEU 39 1HB LEU 39 -9.710 -1.711 -9.738 290 HB3 LEU 39 2HB LEU 39 -7.953 -1.628 -9.845 291 HG LEU 39 HG LEU 39 -8.064 0.854 -9.537 292 HD11 LEU 39 1HD1 LEU 39 -11.018 0.325 -8.988 293 HD12 LEU 39 2HD1 LEU 39 -10.152 1.838 -8.622 294 HD13 LEU 39 3HD1 LEU 39 -10.356 1.328 -10.296 295 HD21 LEU 39 3HD2 LEU 39 -7.675 -0.754 -7.718 296 HD22 LEU 39 1HD2 LEU 39 -8.544 0.669 -7.127 297 HD23 LEU 39 2HD2 LEU 39 -9.410 -0.869 -7.418 298 H TYR 40 H TYR 40 -6.470 -1.311 -11.783 299 HA TYR 40 HA TYR 40 -5.439 1.333 -12.164 300 HB2 TYR 40 1HB TYR 40 -4.114 -0.501 -11.293 301 HB3 TYR 40 2HB TYR 40 -4.327 -1.422 -12.776 302 HD1 TYR 40 2HD TYR 40 -2.967 1.899 -11.572 303 HD2 TYR 40 1HD TYR 40 -2.683 -1.329 -14.433 304 HE1 TYR 40 2HE TYR 40 -0.884 2.909 -12.529 305 HE2 TYR 40 1HE TYR 40 -0.614 -0.314 -15.370 306 HH TYR 40 HH TYR 40 0.513 1.929 -15.548 307 H GLY 41 H GLY 41 -6.113 -1.282 -14.625 308 HA2 GLY 41 1HA GLY 41 -5.167 0.283 -16.821 309 HA3 GLY 41 2HA GLY 41 -6.148 -1.185 -16.895 310 H ASN 42 H ASN 42 -8.306 0.236 -15.238 311 HA ASN 42 HA ASN 42 -9.579 1.538 -17.588 312 HB2 ASN 42 1HB ASN 42 -10.266 -0.690 -16.223 313 HB3 ASN 42 2HB ASN 42 -11.130 0.494 -15.229 314 HD21 ASN 42 1HD2 ASN 42 -12.773 1.798 -16.408 315 HD22 ASN 42 2HD2 ASN 42 -13.444 1.059 -17.882 316 H THR 43 H THR 43 -8.706 2.254 -14.273 317 HA THR 43 HA THR 43 -10.508 4.641 -14.294 318 HB THR 43 HB THR 43 -9.589 3.119 -11.858 319 HG1 THR 43 1HG THR 43 -10.836 1.592 -12.408 320 HG21 THR 43 3HG2 THR 43 -12.301 4.328 -11.935 321 HG22 THR 43 1HG2 THR 43 -11.084 4.287 -10.639 322 HG23 THR 43 2HG2 THR 43 -10.967 5.495 -11.939 323 H ALA 44 H ALA 44 -7.174 3.592 -13.681 324 HA ALA 44 HA ALA 44 -6.535 5.786 -11.956 325 HB1 ALA 44 3HB ALA 44 -4.303 4.815 -11.972 326 HB2 ALA 44 1HB ALA 44 -5.520 3.541 -11.811 327 HB3 ALA 44 2HB ALA 44 -4.705 3.825 -13.376 328 H ASP 45 H ASP 45 -7.549 7.236 -13.825 329 HA ASP 45 HA ASP 45 -5.872 7.966 -16.027 330 HB2 ASP 45 1HB ASP 45 -7.474 9.539 -16.556 331 HB3 ASP 45 2HB ASP 45 -8.407 8.306 -15.721 332 H GLU 46 H GLU 46 -6.286 9.457 -12.877 333 HA GLU 46 HA GLU 46 -3.596 10.779 -13.122 334 HB2 GLU 46 1HB GLU 46 -6.149 11.924 -11.941 335 HB3 GLU 46 2HB GLU 46 -4.530 12.574 -11.616 336 HG2 GLU 46 1HG GLU 46 -4.180 13.019 -14.007 337 HG3 GLU 46 2HG GLU 46 -5.773 12.341 -14.383 338 H ILE 47 H ILE 47 -2.839 8.832 -12.230 339 HA ILE 47 HA ILE 47 -3.701 7.912 -9.677 340 HB ILE 47 HB ILE 47 -2.877 6.387 -11.297 341 HG12 ILE 47 1HG1 ILE 47 -1.246 5.098 -9.912 342 HG13 ILE 47 2HG1 ILE 47 -1.157 6.454 -8.795 343 HG21 ILE 47 1HG2 ILE 47 -1.206 7.629 -12.490 344 HG22 ILE 47 2HG2 ILE 47 -0.179 7.750 -11.041 345 HG23 ILE 47 3HG2 ILE 47 -0.470 6.181 -11.812 346 HD11 ILE 47 3HD1 ILE 47 -2.676 4.729 -7.963 347 HD12 ILE 47 1HD1 ILE 47 -3.626 6.172 -8.344 348 HD13 ILE 47 2HD1 ILE 47 -3.627 4.783 -9.459 349 H ILE 48 H ILE 48 -3.331 8.540 -7.768 350 HA ILE 48 HA ILE 48 -1.164 10.449 -7.135 351 HB ILE 48 HB ILE 48 -3.856 10.025 -5.775 352 HG12 ILE 48 1HG1 ILE 48 -4.295 11.104 -7.866 353 HG13 ILE 48 2HG1 ILE 48 -4.488 12.247 -6.557 354 HG21 ILE 48 1HG2 ILE 48 -1.639 12.020 -5.203 355 HG22 ILE 48 2HG2 ILE 48 -3.272 12.084 -4.502 356 HG23 ILE 48 3HG2 ILE 48 -2.214 10.715 -4.150 357 HD11 ILE 48 3HD1 ILE 48 -2.094 12.095 -8.450 358 HD12 ILE 48 1HD1 ILE 48 -3.388 13.295 -8.489 359 HD13 ILE 48 2HD1 ILE 48 -2.277 13.259 -7.111 360 H LYS 49 H LYS 49 -3.132 7.652 -5.893 361 HA LYS 49 HA LYS 49 -0.639 6.554 -4.807 362 HB2 LYS 49 1HB LYS 49 -1.158 8.029 -3.020 363 HB3 LYS 49 2HB LYS 49 -2.845 7.573 -2.997 364 HG2 LYS 49 1HG LYS 49 -2.330 5.369 -2.107 365 HG3 LYS 49 2HG LYS 49 -0.591 5.727 -2.155 366 HD2 LYS 49 1HD LYS 49 -2.641 7.347 -0.584 367 HD3 LYS 49 2HD LYS 49 -1.712 6.002 0.101 368 HE2 LYS 49 1HE LYS 49 0.403 7.215 -0.477 369 HE3 LYS 49 2HE LYS 49 -0.523 8.517 -1.179 370 HZ1 LYS 49 3HZ LYS 49 -0.079 9.251 0.929 371 HZ2 LYS 49 1HZ LYS 49 -1.595 8.640 1.132 372 HZ3 LYS 49 2HZ LYS 49 -0.284 7.781 1.661 373 H LEU 50 H LEU 50 -0.770 4.394 -4.230 374 HA LEU 50 HA LEU 50 -3.371 3.275 -3.857 375 HB2 LEU 50 1HB LEU 50 -3.497 1.569 -5.394 376 HB3 LEU 50 2HB LEU 50 -2.929 2.928 -6.333 377 HG LEU 50 HG LEU 50 -0.527 1.668 -5.582 378 HD11 LEU 50 1HD1 LEU 50 -2.663 -0.417 -6.193 379 HD12 LEU 50 2HD1 LEU 50 -0.924 -0.708 -6.277 380 HD13 LEU 50 3HD1 LEU 50 -1.670 -0.293 -4.725 381 HD21 LEU 50 3HD2 LEU 50 -1.050 2.609 -7.795 382 HD22 LEU 50 1HD2 LEU 50 -0.430 0.956 -7.933 383 HD23 LEU 50 2HD2 LEU 50 -2.168 1.278 -8.117 384 H ARG 51 H ARG 51 -3.450 1.622 -2.507 385 HA ARG 51 HA ARG 51 -0.933 0.497 -1.360 386 HB2 ARG 51 1HB ARG 51 -2.152 2.387 -0.037 387 HB3 ARG 51 2HB ARG 51 -3.388 1.193 0.295 388 HG2 ARG 51 1HG ARG 51 -0.465 1.083 1.027 389 HG3 ARG 51 2HG ARG 51 -1.809 1.333 2.131 390 HD2 ARG 51 1HD ARG 51 -1.132 -1.245 0.647 391 HD3 ARG 51 2HD ARG 51 -0.869 -0.907 2.343 392 HE ARG 51 HE ARG 51 -3.582 -1.129 1.034 393 HH11 ARG 51 2HH2 ARG 51 -1.605 -1.712 3.884 394 HH12 ARG 51 1HH2 ARG 51 -2.904 -2.548 4.711 395 HH21 ARG 51 1HH1 ARG 51 -5.197 -2.107 2.162 396 HH22 ARG 51 2HH1 ARG 51 -4.837 -2.854 3.717 397 H LEU 52 H LEU 52 -1.057 -1.352 -2.461 398 HA LEU 52 HA LEU 52 -3.438 -3.068 -2.164 399 HB2 LEU 52 1HB LEU 52 -2.590 -2.800 -4.377 400 HB3 LEU 52 2HB LEU 52 -0.970 -3.253 -3.899 401 HG LEU 52 HG LEU 52 -3.300 -5.193 -3.621 402 HD11 LEU 52 1HD1 LEU 52 -1.509 -4.897 -6.066 403 HD12 LEU 52 2HD1 LEU 52 -2.885 -6.004 -5.821 404 HD13 LEU 52 3HD1 LEU 52 -3.166 -4.279 -5.975 405 HD21 LEU 52 3HD2 LEU 52 -1.221 -6.007 -2.554 406 HD22 LEU 52 1HD2 LEU 52 -1.510 -6.893 -4.039 407 HD23 LEU 52 2HD2 LEU 52 -0.297 -5.601 -4.007 408 H ASP 53 H ASP 53 -3.430 -4.836 -0.895 409 HA ASP 53 HA ASP 53 -0.920 -5.898 0.264 410 HB2 ASP 53 1HB ASP 53 -1.659 -4.188 1.868 411 HB3 ASP 53 2HB ASP 53 -3.258 -4.918 1.943 412 H LYS 54 H LYS 54 -0.981 -8.103 0.224 413 HA LYS 54 HA LYS 54 -3.333 -9.707 -0.321 414 HB2 LYS 54 1HB LYS 54 -2.038 -11.580 0.567 415 HB3 LYS 54 2HB LYS 54 -1.042 -10.580 -0.476 416 HG2 LYS 54 1HG LYS 54 0.416 -10.995 1.239 417 HG3 LYS 54 2HG LYS 54 -0.212 -9.429 1.713 418 HD2 LYS 54 1HD LYS 54 -1.918 -11.153 3.084 419 HD3 LYS 54 2HD LYS 54 -0.466 -12.114 2.974 420 HE2 LYS 54 1HE LYS 54 -0.343 -10.907 5.016 421 HE3 LYS 54 2HE LYS 54 0.835 -10.162 3.939 422 HZ1 LYS 54 3HZ LYS 54 -0.434 -8.196 3.859 423 HZ2 LYS 54 1HZ LYS 54 -1.808 -8.975 3.834 424 HZ3 LYS 54 2HZ LYS 54 -1.089 -8.786 5.289 425 H VAL 55 H VAL 55 -4.810 -10.734 0.833 426 HA VAL 55 HA VAL 55 -4.807 -10.405 3.738 427 HB VAL 55 HB VAL 55 -7.440 -9.910 2.371 428 HG11 VAL 55 1HG1 VAL 55 -6.205 -9.119 5.035 429 HG12 VAL 55 2HG1 VAL 55 -7.817 -8.650 4.489 430 HG13 VAL 55 3HG1 VAL 55 -7.464 -10.355 4.757 431 HG21 VAL 55 3HG2 VAL 55 -5.494 -7.656 3.054 432 HG22 VAL 55 1HG2 VAL 55 -6.053 -8.100 1.421 433 HG23 VAL 55 2HG2 VAL 55 -7.202 -7.472 2.591 434 H LEU 56 H LEU 56 -6.027 -11.876 4.719 435 HA LEU 56 HA LEU 56 -7.465 -14.028 3.333 436 HB2 LEU 56 1HB LEU 56 -5.110 -14.828 3.572 437 HB3 LEU 56 2HB LEU 56 -5.166 -14.457 5.299 438 HG LEU 56 HG LEU 56 -7.040 -16.159 5.522 439 HD11 LEU 56 1HD1 LEU 56 -6.104 -17.181 2.808 440 HD12 LEU 56 2HD1 LEU 56 -7.494 -17.719 3.787 441 HD13 LEU 56 3HD1 LEU 56 -7.538 -16.150 2.971 442 HD21 LEU 56 3HD2 LEU 56 -5.494 -18.095 5.409 443 HD22 LEU 56 1HD2 LEU 56 -4.340 -17.107 4.489 444 HD23 LEU 56 2HD2 LEU 56 -4.741 -16.674 6.163 445 H1 MET 1 1H MET 1 20.138 11.373 3.591 446 H2 MET 1 2H MET 1 19.374 12.699 2.966 447 H3 MET 1 3H MET 1 19.504 11.376 2.042 448 HA MET 1 HA MET 1 18.142 11.004 4.571 449 HB2 MET 1 1HB MET 1 17.424 13.242 3.910 450 HB3 MET 1 2HB MET 1 17.064 12.659 2.292 451 HG2 MET 1 1HG MET 1 15.555 10.987 4.035 452 HG3 MET 1 2HG MET 1 15.408 12.625 4.689 453 HE1 MET 1 3HE MET 1 12.259 12.981 2.872 454 HE2 MET 1 1HE MET 1 12.502 11.266 2.785 455 HE3 MET 1 2HE MET 1 12.986 12.226 4.274 456 H VAL 2 H VAL 2 17.895 8.867 4.432 457 HA VAL 2 HA VAL 2 17.648 6.772 3.778 458 HB VAL 2 HB VAL 2 15.429 7.914 2.046 459 HG11 VAL 2 1HG1 VAL 2 15.918 5.663 1.252 460 HG12 VAL 2 2HG1 VAL 2 15.986 5.046 2.916 461 HG13 VAL 2 3HG1 VAL 2 14.455 5.618 2.223 462 HG21 VAL 2 3HG2 VAL 2 14.126 6.888 4.112 463 HG22 VAL 2 1HG2 VAL 2 15.689 7.053 4.939 464 HG23 VAL 2 2HG2 VAL 2 14.880 8.486 4.249 465 H GLN 3 H GLN 3 17.296 8.447 0.687 466 HA GLN 3 HA GLN 3 19.552 6.899 -0.442 467 HB2 GLN 3 1HB GLN 3 17.486 5.675 -1.007 468 HB3 GLN 3 2HB GLN 3 16.802 7.155 -1.716 469 HG2 GLN 3 1HG GLN 3 18.741 7.198 -3.338 470 HG3 GLN 3 2HG GLN 3 19.320 5.694 -2.623 471 HE21 GLN 3 1HE2 GLN 3 19.125 4.774 -4.798 472 HE22 GLN 3 2HE2 GLN 3 17.507 4.313 -5.347 473 H ASN 4 H ASN 4 20.714 8.723 -0.206 474 HA ASN 4 HA ASN 4 21.534 10.807 -0.427 475 HB2 ASN 4 1HB ASN 4 21.993 9.847 -2.622 476 HB3 ASN 4 2HB ASN 4 20.464 10.461 -3.251 477 HD21 ASN 4 1HD2 ASN 4 20.804 12.302 -4.502 478 HD22 ASN 4 2HD2 ASN 4 22.084 13.463 -4.099 479 H ASP 5 H ASP 5 18.993 11.848 -2.711 480 HA ASP 5 HA ASP 5 18.126 13.930 -0.833 481 HB2 ASP 5 1HB ASP 5 17.692 15.134 -2.887 482 HB3 ASP 5 2HB ASP 5 19.346 14.542 -2.892 483 H PHE 6 H PHE 6 17.101 10.953 -1.687 484 HA PHE 6 HA PHE 6 15.186 9.828 -1.985 485 HB2 PHE 6 1HB PHE 6 15.036 10.866 0.321 486 HB3 PHE 6 2HB PHE 6 13.836 11.977 -0.344 487 HD1 PHE 6 2HD PHE 6 14.634 8.282 -0.319 488 HD2 PHE 6 1HD PHE 6 11.604 11.325 0.111 489 HE1 PHE 6 2HE PHE 6 12.977 6.544 0.263 490 HE2 PHE 6 1HE PHE 6 9.942 9.567 0.717 491 HZ PHE 6 HZ PHE 6 10.625 7.177 0.770 492 H VAL 7 H VAL 7 15.742 10.864 -4.079 493 HA VAL 7 HA VAL 7 14.921 12.868 -5.433 494 HB VAL 7 HB VAL 7 16.419 11.114 -6.174 495 HG11 VAL 7 1HG1 VAL 7 15.589 9.002 -5.980 496 HG12 VAL 7 2HG1 VAL 7 13.938 9.454 -6.435 497 HG13 VAL 7 3HG1 VAL 7 15.182 9.260 -7.685 498 HG21 VAL 7 3HG2 VAL 7 14.423 11.681 -8.378 499 HG22 VAL 7 1HG2 VAL 7 15.628 12.841 -7.759 500 HG23 VAL 7 2HG2 VAL 7 16.155 11.335 -8.516 501 H ASP 8 H ASP 8 13.445 13.651 -6.897 502 HA ASP 8 HA ASP 8 10.671 13.082 -6.364 503 HB2 ASP 8 1HB ASP 8 12.035 14.901 -8.379 504 HB3 ASP 8 2HB ASP 8 10.295 14.868 -8.078 505 H SER 9 H SER 9 9.126 12.960 -8.107 506 HA SER 9 HA SER 9 7.935 11.790 -9.619 507 HB2 SER 9 1HB SER 9 9.986 11.897 -11.166 508 HB3 SER 9 2HB SER 9 10.293 10.222 -10.653 509 HG SER 9 HG SER 9 8.193 9.664 -11.353 510 H TYR 10 H TYR 10 7.325 9.388 -10.024 511 HA TYR 10 HA TYR 10 6.128 8.839 -7.683 512 HB2 TYR 10 1HB TYR 10 6.580 7.100 -10.111 513 HB3 TYR 10 2HB TYR 10 5.667 6.516 -8.732 514 HD1 TYR 10 1HD TYR 10 5.729 9.267 -11.301 515 HD2 TYR 10 2HD TYR 10 3.443 7.116 -8.334 516 HE1 TYR 10 1HE TYR 10 3.654 10.448 -12.024 517 HE2 TYR 10 2HE TYR 10 1.372 8.225 -9.122 518 HH TYR 10 HH TYR 10 0.466 9.880 -10.435 519 H ASP 11 H ASP 11 6.183 7.505 -6.003 520 HA ASP 11 HA ASP 11 8.607 5.862 -5.459 521 HB2 ASP 11 1HB ASP 11 8.037 7.604 -3.812 522 HB3 ASP 11 2HB ASP 11 6.430 6.919 -3.625 523 H VAL 12 H VAL 12 8.423 3.815 -5.918 524 HA VAL 12 HA VAL 12 5.866 2.374 -5.394 525 HB VAL 12 HB VAL 12 8.212 1.544 -7.153 526 HG11 VAL 12 1HG1 VAL 12 5.650 0.135 -6.254 527 HG12 VAL 12 2HG1 VAL 12 6.554 -0.346 -7.690 528 HG13 VAL 12 3HG1 VAL 12 7.329 -0.451 -6.097 529 HG21 VAL 12 3HG2 VAL 12 5.317 2.037 -7.792 530 HG22 VAL 12 1HG2 VAL 12 6.562 3.242 -8.104 531 HG23 VAL 12 2HG2 VAL 12 6.616 1.678 -8.959 532 H THR 13 H THR 13 5.927 1.598 -3.435 533 HA THR 13 HA THR 13 8.450 0.352 -2.391 534 HB THR 13 HB THR 13 6.196 1.630 -0.822 535 HG1 THR 13 1HG THR 13 7.781 3.173 -1.783 536 HG21 THR 13 3HG2 THR 13 8.773 0.939 0.512 537 HG22 THR 13 1HG2 THR 13 7.105 0.759 1.091 538 HG23 THR 13 2HG2 THR 13 7.823 -0.479 0.036 539 H MET 14 H MET 14 8.151 -1.621 -3.331 540 HA MET 14 HA MET 14 5.541 -2.996 -2.900 541 HB2 MET 14 1HB MET 14 6.304 -2.429 -5.231 542 HB3 MET 14 2HB MET 14 7.658 -3.549 -5.018 543 HG2 MET 14 1HG MET 14 6.164 -5.424 -4.879 544 HG3 MET 14 2HG MET 14 4.778 -4.366 -4.591 545 HE1 MET 14 3HE MET 14 7.640 -4.769 -7.201 546 HE2 MET 14 1HE MET 14 6.783 -6.327 -7.206 547 HE3 MET 14 2HE MET 14 6.713 -5.279 -8.638 548 H LEU 15 H LEU 15 5.585 -5.306 -2.523 549 HA LEU 15 HA LEU 15 8.032 -6.377 -1.250 550 HB2 LEU 15 1HB LEU 15 6.263 -4.950 0.193 551 HB3 LEU 15 2HB LEU 15 5.398 -6.481 0.216 552 HG LEU 15 HG LEU 15 8.289 -6.074 1.120 553 HD11 LEU 15 1HD1 LEU 15 7.316 -6.173 3.387 554 HD12 LEU 15 2HD1 LEU 15 6.641 -4.821 2.467 555 HD13 LEU 15 3HD1 LEU 15 5.685 -6.304 2.688 556 HD21 LEU 15 3HD2 LEU 15 7.829 -8.231 2.368 557 HD22 LEU 15 1HD2 LEU 15 6.360 -8.434 1.391 558 HD23 LEU 15 2HD2 LEU 15 7.963 -8.429 0.621 559 H LEU 16 H LEU 16 8.305 -8.426 -1.761 560 HA LEU 16 HA LEU 16 5.992 -10.040 -2.758 561 HB2 LEU 16 1HB LEU 16 8.900 -10.293 -3.610 562 HB3 LEU 16 2HB LEU 16 7.542 -11.236 -4.177 563 HG LEU 16 HG LEU 16 8.048 -9.878 -5.923 564 HD11 LEU 16 1HD1 LEU 16 6.175 -8.526 -6.366 565 HD12 LEU 16 2HD1 LEU 16 5.640 -9.925 -5.435 566 HD13 LEU 16 3HD1 LEU 16 5.791 -8.337 -4.641 567 HD21 LEU 16 3HD2 LEU 16 9.287 -8.098 -5.748 568 HD22 LEU 16 1HD2 LEU 16 7.893 -7.153 -5.176 569 HD23 LEU 16 2HD2 LEU 16 8.992 -7.942 -4.014 570 H GLN 17 H GLN 17 6.265 -12.343 -2.493 571 HA GLN 17 HA GLN 17 8.228 -13.179 -0.400 572 HB2 GLN 17 1HB GLN 17 5.889 -13.434 0.315 573 HB3 GLN 17 2HB GLN 17 5.592 -14.530 -1.046 574 HG2 GLN 17 1HG GLN 17 7.262 -16.109 -0.153 575 HG3 GLN 17 2HG GLN 17 7.718 -14.958 1.114 576 HE21 GLN 17 1HE2 GLN 17 5.365 -17.372 0.150 577 HE22 GLN 17 2HE2 GLN 17 4.447 -17.261 1.655 578 H ASP 18 H ASP 18 9.828 -14.297 -1.081 579 HA ASP 18 HA ASP 18 10.201 -14.983 -3.835 580 HB2 ASP 18 1HB ASP 18 11.941 -14.176 -2.170 581 HB3 ASP 18 2HB ASP 18 11.830 -15.749 -1.375 582 H ASP 19 H ASP 19 10.935 -17.114 -4.608 583 HA ASP 19 HA ASP 19 9.233 -19.332 -3.993 584 HB2 ASP 19 1HB ASP 19 10.822 -20.535 -5.521 585 HB3 ASP 19 2HB ASP 19 10.120 -19.057 -6.194 586 H ASP 20 H ASP 20 12.332 -18.313 -2.553 587 HA ASP 20 HA ASP 20 12.680 -20.832 -1.087 588 HB2 ASP 20 1HB ASP 20 13.860 -18.044 -0.797 589 HB3 ASP 20 2HB ASP 20 14.292 -19.389 0.248 590 H GLY 21 H GLY 21 10.263 -18.513 -0.860 591 HA2 GLY 21 1HA GLY 21 8.497 -18.569 0.610 592 HA3 GLY 21 2HA GLY 21 9.427 -19.561 1.739 593 H LYS 22 H LYS 22 11.149 -16.776 0.825 594 HA LYS 22 HA LYS 22 10.420 -15.458 3.409 595 HB2 LYS 22 1HB LYS 22 12.624 -14.509 3.439 596 HB3 LYS 22 2HB LYS 22 12.700 -16.269 3.269 597 HG2 LYS 22 1HG LYS 22 13.200 -16.046 0.870 598 HG3 LYS 22 2HG LYS 22 13.084 -14.277 0.964 599 HD2 LYS 22 1HD LYS 22 14.976 -14.034 2.290 600 HD3 LYS 22 2HD LYS 22 14.872 -15.686 2.947 601 HE2 LYS 22 1HE LYS 22 15.485 -16.663 0.791 602 HE3 LYS 22 2HE LYS 22 15.622 -15.073 0.060 603 HZ1 LYS 22 3HZ LYS 22 17.454 -14.551 1.425 604 HZ2 LYS 22 1HZ LYS 22 17.113 -15.727 2.510 605 HZ3 LYS 22 2HZ LYS 22 17.718 -16.145 1.049 606 H GLN 23 H GLN 23 10.208 -13.280 3.598 607 HA GLN 23 HA GLN 23 9.072 -12.023 1.194 608 HB2 GLN 23 1HB GLN 23 8.922 -11.406 4.162 609 HB3 GLN 23 2HB GLN 23 8.271 -10.339 2.901 610 HG2 GLN 23 1HG GLN 23 6.928 -12.227 1.995 611 HG3 GLN 23 2HG GLN 23 7.493 -13.258 3.320 612 HE21 GLN 23 1HE2 GLN 23 5.032 -13.433 3.492 613 HE22 GLN 23 2HE2 GLN 23 4.317 -12.190 4.562 614 H TYR 24 H TYR 24 9.817 -10.258 0.192 615 HA TYR 24 HA TYR 24 12.100 -8.806 1.394 616 HB2 TYR 24 1HB TYR 24 13.505 -9.025 -0.486 617 HB3 TYR 24 2HB TYR 24 13.042 -10.634 0.019 618 HD1 TYR 24 2HD TYR 24 11.488 -12.009 -1.393 619 HD2 TYR 24 1HD TYR 24 12.878 -8.122 -2.668 620 HE1 TYR 24 2HE TYR 24 10.956 -12.584 -3.769 621 HE2 TYR 24 1HE TYR 24 12.326 -8.699 -5.014 622 HH TYR 24 HH TYR 24 11.214 -11.970 -6.033 623 H TYR 25 H TYR 25 12.366 -6.762 0.813 624 HA TYR 25 HA TYR 25 10.068 -5.357 -0.341 625 HB2 TYR 25 1HB TYR 25 12.645 -4.543 1.044 626 HB3 TYR 25 2HB TYR 25 11.671 -3.366 0.181 627 HD1 TYR 25 2HD TYR 25 11.735 -5.615 3.121 628 HD2 TYR 25 1HD TYR 25 9.495 -2.651 0.919 629 HE1 TYR 25 2HE TYR 25 10.247 -5.289 5.084 630 HE2 TYR 25 1HE TYR 25 8.019 -2.296 2.907 631 HH TYR 25 HH TYR 25 8.464 -4.137 5.926 632 H GLU 26 H GLU 26 10.049 -4.138 -2.057 633 HA GLU 26 HA GLU 26 12.416 -3.734 -3.809 634 HB2 GLU 26 1HB GLU 26 9.642 -4.730 -4.546 635 HB3 GLU 26 2HB GLU 26 10.663 -3.901 -5.718 636 HG2 GLU 26 1HG GLU 26 11.437 -6.436 -4.203 637 HG3 GLU 26 2HG GLU 26 10.807 -6.385 -5.842 638 H TYR 27 H TYR 27 12.463 -1.888 -2.400 639 HA TYR 27 HA TYR 27 10.562 0.311 -2.826 640 HB2 TYR 27 1HB TYR 27 11.508 0.421 -0.713 641 HB3 TYR 27 2HB TYR 27 13.082 -0.143 -1.259 642 HD1 TYR 27 1HD TYR 27 10.793 2.861 -1.427 643 HD2 TYR 27 2HD TYR 27 14.814 1.316 -1.797 644 HE1 TYR 27 1HE TYR 27 11.670 5.177 -1.678 645 HE2 TYR 27 2HE TYR 27 15.681 3.621 -2.064 646 HH TYR 27 HH TYR 27 15.037 5.739 -2.700 647 H HIS 28 H HIS 28 10.577 1.549 -4.503 648 HA HIS 28 HA HIS 28 13.010 2.239 -6.054 649 HB2 HIS 28 1HB HIS 28 10.439 1.055 -7.192 650 HB3 HIS 28 2HB HIS 28 11.705 1.834 -8.147 651 HD1 HIS 28 1HD HIS 28 14.120 0.553 -8.192 652 HD2 HIS 28 2HD HIS 28 10.863 -1.430 -6.382 653 HE1 HIS 28 1HE HIS 28 14.832 -1.930 -7.897 654 HE2 HIS 28 2HE HIS 28 12.870 -3.123 -6.812 655 H LYS 29 H LYS 29 12.987 4.365 -5.528 656 HA LYS 29 HA LYS 29 10.525 5.939 -6.149 657 HB2 LYS 29 1HB LYS 29 11.409 5.977 -3.816 658 HB3 LYS 29 2HB LYS 29 12.900 6.731 -4.420 659 HG2 LYS 29 1HG LYS 29 11.630 8.681 -5.180 660 HG3 LYS 29 2HG LYS 29 10.098 7.871 -4.811 661 HD2 LYS 29 1HD LYS 29 10.976 7.703 -2.384 662 HD3 LYS 29 2HD LYS 29 12.209 8.873 -2.857 663 HE2 LYS 29 1HE LYS 29 9.197 9.286 -3.158 664 HE3 LYS 29 2HE LYS 29 10.114 9.775 -1.742 665 HZ1 LYS 29 3HZ LYS 29 11.531 11.113 -3.328 666 HZ2 LYS 29 1HZ LYS 29 10.457 10.853 -4.481 667 HZ3 LYS 29 2HZ LYS 29 10.013 11.687 -3.104 668 H GLY 30 H GLY 30 10.684 7.834 -7.319 669 HA2 GLY 30 1HA GLY 30 11.522 9.305 -8.846 670 HA3 GLY 30 2HA GLY 30 13.161 8.670 -8.624 671 H LEU 31 H LEU 31 10.075 7.221 -9.665 672 HA LEU 31 HA LEU 31 11.138 6.812 -12.400 673 HB2 LEU 31 1HB LEU 31 10.371 4.489 -12.442 674 HB3 LEU 31 2HB LEU 31 11.688 4.786 -11.347 675 HG LEU 31 HG LEU 31 10.191 4.644 -9.395 676 HD11 LEU 31 1HD1 LEU 31 8.040 3.888 -11.426 677 HD12 LEU 31 2HD1 LEU 31 7.943 3.672 -9.678 678 HD13 LEU 31 3HD1 LEU 31 8.019 5.300 -10.325 679 HD21 LEU 31 3HD2 LEU 31 11.356 2.645 -10.294 680 HD22 LEU 31 1HD2 LEU 31 9.800 2.228 -9.540 681 HD23 LEU 31 2HD2 LEU 31 9.944 2.275 -11.304 682 H SER 32 H SER 32 8.872 5.448 -13.436 683 HA SER 32 HA SER 32 6.566 7.074 -12.693 684 HB2 SER 32 1HB SER 32 6.135 8.132 -14.707 685 HB3 SER 32 2HB SER 32 7.873 8.369 -14.490 686 HG SER 32 HG SER 32 8.249 6.763 -16.010 687 H LEU 33 H LEU 33 4.698 6.367 -14.478 688 HA LEU 33 HA LEU 33 4.145 3.867 -13.289 689 HB2 LEU 33 1HB LEU 33 2.679 5.499 -15.399 690 HB3 LEU 33 2HB LEU 33 2.042 4.016 -14.720 691 HG LEU 33 HG LEU 33 1.020 5.814 -13.596 692 HD11 LEU 33 1HD1 LEU 33 1.612 3.840 -12.214 693 HD12 LEU 33 2HD1 LEU 33 3.088 4.693 -11.680 694 HD13 LEU 33 3HD1 LEU 33 1.506 5.339 -11.265 695 HD21 LEU 33 3HD2 LEU 33 3.667 6.894 -12.585 696 HD22 LEU 33 1HD2 LEU 33 2.761 7.570 -13.977 697 HD23 LEU 33 2HD2 LEU 33 2.033 7.531 -12.370 698 H SER 34 H SER 34 5.328 4.481 -16.569 699 HA SER 34 HA SER 34 4.918 1.807 -17.554 700 HB2 SER 34 1HB SER 34 6.660 2.544 -19.201 701 HB3 SER 34 2HB SER 34 5.270 3.636 -19.070 702 HG SER 34 HG SER 34 6.809 5.075 -18.758 703 H ASP 35 H ASP 35 7.379 3.297 -15.465 704 HA ASP 35 HA ASP 35 9.230 1.002 -15.632 705 HB2 ASP 35 1HB ASP 35 9.113 3.540 -13.970 706 HB3 ASP 35 2HB ASP 35 10.240 2.275 -13.637 707 H PHE 36 H PHE 36 6.640 2.161 -13.491 708 HA PHE 36 HA PHE 36 6.878 0.069 -11.499 709 HB2 PHE 36 1HB PHE 36 5.471 1.877 -10.906 710 HB3 PHE 36 2HB PHE 36 4.633 1.858 -12.440 711 HD1 PHE 36 2HD PHE 36 5.286 -0.626 -9.666 712 HD2 PHE 36 1HD PHE 36 2.461 1.045 -12.474 713 HE1 PHE 36 2HE PHE 36 3.566 -2.238 -8.900 714 HE2 PHE 36 1HE PHE 36 0.739 -0.547 -11.685 715 HZ PHE 36 HZ PHE 36 1.302 -2.222 -9.937 716 H GLU 37 H GLU 37 5.022 0.254 -14.611 717 HA GLU 37 HA GLU 37 4.007 -2.393 -14.515 718 HB2 GLU 37 1HB GLU 37 4.617 -0.441 -16.757 719 HB3 GLU 37 2HB GLU 37 3.929 -2.040 -17.067 720 HG2 GLU 37 1HG GLU 37 1.993 -1.601 -15.722 721 HG3 GLU 37 2HG GLU 37 2.699 -0.147 -15.035 722 H VAL 38 H VAL 38 7.237 -1.283 -15.483 723 HA VAL 38 HA VAL 38 8.127 -3.910 -16.357 724 HB VAL 38 HB VAL 38 9.737 -1.610 -15.228 725 HG11 VAL 38 1HG1 VAL 38 10.978 -3.690 -14.836 726 HG12 VAL 38 2HG1 VAL 38 10.661 -4.194 -16.517 727 HG13 VAL 38 3HG1 VAL 38 11.699 -2.794 -16.183 728 HG21 VAL 38 3HG2 VAL 38 9.405 -2.656 -18.082 729 HG22 VAL 38 1HG2 VAL 38 8.674 -1.177 -17.429 730 HG23 VAL 38 2HG2 VAL 38 10.409 -1.223 -17.563 731 H LEU 39 H LEU 39 8.462 -2.220 -13.188 732 HA LEU 39 HA LEU 39 9.687 -4.324 -11.808 733 HB2 LEU 39 1HB LEU 39 9.373 -1.933 -11.034 734 HB3 LEU 39 2HB LEU 39 7.691 -2.321 -10.676 735 HG LEU 39 HG LEU 39 8.588 -4.161 -9.114 736 HD11 LEU 39 1HD1 LEU 39 10.843 -3.886 -8.244 737 HD12 LEU 39 2HD1 LEU 39 10.907 -4.234 -9.969 738 HD13 LEU 39 3HD1 LEU 39 11.157 -2.569 -9.408 739 HD21 LEU 39 3HD2 LEU 39 9.160 -1.240 -8.493 740 HD22 LEU 39 1HD2 LEU 39 7.615 -2.112 -8.302 741 HD23 LEU 39 2HD2 LEU 39 8.990 -2.546 -7.287 742 H TYR 40 H TYR 40 6.190 -3.678 -12.027 743 HA TYR 40 HA TYR 40 5.252 -5.827 -10.414 744 HB2 TYR 40 1HB TYR 40 3.957 -3.856 -11.033 745 HB3 TYR 40 2HB TYR 40 4.000 -4.313 -12.729 746 HD1 TYR 40 1HD TYR 40 2.892 -5.708 -9.385 747 HD2 TYR 40 2HD TYR 40 2.158 -5.418 -13.629 748 HE1 TYR 40 1HE TYR 40 0.735 -6.953 -9.109 749 HE2 TYR 40 2HE TYR 40 0.026 -6.659 -13.350 750 HH TYR 40 HH TYR 40 -1.354 -7.836 -11.969 751 H GLY 41 H GLY 41 6.215 -5.840 -13.852 752 HA2 GLY 41 1HA GLY 41 5.212 -8.622 -14.197 753 HA3 GLY 41 2HA GLY 41 5.877 -7.561 -15.439 754 H ASN 42 H ASN 42 8.283 -6.929 -13.654 755 HA ASN 42 HA ASN 42 9.895 -9.144 -14.685 756 HB2 ASN 42 1HB ASN 42 10.430 -6.758 -15.133 757 HB3 ASN 42 2HB ASN 42 10.596 -6.464 -13.394 758 HD21 ASN 42 1HD2 ASN 42 11.939 -8.527 -16.051 759 HD22 ASN 42 2HD2 ASN 42 13.525 -8.591 -15.266 760 H THR 43 H THR 43 8.954 -7.840 -11.521 761 HA THR 43 HA THR 43 10.915 -9.274 -10.013 762 HB THR 43 HB THR 43 9.228 -9.054 -8.093 763 HG1 THR 43 1HG THR 43 7.945 -7.264 -9.894 764 HG21 THR 43 3HG2 THR 43 10.001 -6.482 -9.533 765 HG22 THR 43 1HG2 THR 43 9.658 -6.693 -7.801 766 HG23 THR 43 2HG2 THR 43 11.095 -7.450 -8.523 767 H ALA 44 H ALA 44 7.636 -10.113 -10.940 768 HA ALA 44 HA ALA 44 6.477 -12.010 -11.200 769 HB1 ALA 44 3HB ALA 44 8.227 -12.327 -12.858 770 HB2 ALA 44 1HB ALA 44 9.242 -13.175 -11.666 771 HB3 ALA 44 2HB ALA 44 7.704 -13.890 -12.196 772 H ASP 45 H ASP 45 8.486 -12.029 -8.453 773 HA ASP 45 HA ASP 45 7.430 -14.469 -7.267 774 HB2 ASP 45 1HB ASP 45 8.830 -12.012 -6.189 775 HB3 ASP 45 2HB ASP 45 8.199 -13.257 -5.116 776 H GLU 46 H GLU 46 6.174 -14.337 -5.191 777 HA GLU 46 HA GLU 46 3.531 -13.530 -5.989 778 HB2 GLU 46 1HB GLU 46 4.689 -14.816 -3.492 779 HB3 GLU 46 2HB GLU 46 2.954 -14.485 -3.691 780 HG2 GLU 46 1HG GLU 46 2.826 -15.883 -5.666 781 HG3 GLU 46 2HG GLU 46 4.578 -16.088 -5.714 782 H ILE 47 H ILE 47 2.593 -11.649 -5.724 783 HA ILE 47 HA ILE 47 3.649 -9.474 -4.233 784 HB ILE 47 HB ILE 47 0.930 -9.982 -5.456 785 HG12 ILE 47 1HG1 ILE 47 3.020 -9.752 -6.935 786 HG13 ILE 47 2HG1 ILE 47 1.621 -8.781 -7.316 787 HG21 ILE 47 1HG2 ILE 47 0.596 -7.478 -5.275 788 HG22 ILE 47 2HG2 ILE 47 0.461 -8.376 -3.761 789 HG23 ILE 47 3HG2 ILE 47 1.923 -7.446 -4.094 790 HD11 ILE 47 3HD1 ILE 47 4.179 -7.826 -7.178 791 HD12 ILE 47 1HD1 ILE 47 2.725 -6.827 -7.037 792 HD13 ILE 47 2HD1 ILE 47 3.584 -7.367 -5.574 793 H ILE 48 H ILE 48 3.446 -8.804 -2.286 794 HA ILE 48 HA ILE 48 1.533 -9.983 -0.363 795 HB ILE 48 HB ILE 48 4.368 -8.992 0.081 796 HG12 ILE 48 1HG1 ILE 48 4.450 -11.188 -0.902 797 HG13 ILE 48 2HG1 ILE 48 4.940 -11.248 0.767 798 HG21 ILE 48 1HG2 ILE 48 2.508 -10.156 2.186 799 HG22 ILE 48 2HG2 ILE 48 4.167 -9.552 2.407 800 HG23 ILE 48 3HG2 ILE 48 2.860 -8.442 1.994 801 HD11 ILE 48 3HD1 ILE 48 3.564 -13.194 0.229 802 HD12 ILE 48 1HD1 ILE 48 2.675 -12.184 1.372 803 HD13 ILE 48 2HD1 ILE 48 2.251 -12.163 -0.359 804 H LYS 49 H LYS 49 3.591 -7.079 -1.072 805 HA LYS 49 HA LYS 49 1.171 -5.409 -0.654 806 HB2 LYS 49 1HB LYS 49 3.860 -4.778 0.635 807 HB3 LYS 49 2HB LYS 49 2.473 -3.690 0.564 808 HG2 LYS 49 1HG LYS 49 1.125 -5.250 1.875 809 HG3 LYS 49 2HG LYS 49 2.504 -6.362 1.988 810 HD2 LYS 49 1HD LYS 49 3.835 -4.549 3.079 811 HD3 LYS 49 2HD LYS 49 2.373 -3.549 3.125 812 HE2 LYS 49 1HE LYS 49 2.735 -6.291 4.426 813 HE3 LYS 49 2HE LYS 49 2.841 -4.739 5.270 814 HZ1 LYS 49 3HZ LYS 49 0.407 -5.804 3.909 815 HZ2 LYS 49 1HZ LYS 49 0.639 -5.723 5.532 816 HZ3 LYS 49 2HZ LYS 49 0.505 -4.347 4.658 817 H LEU 50 H LEU 50 1.193 -3.451 -1.666 818 HA LEU 50 HA LEU 50 3.503 -2.578 -3.269 819 HB2 LEU 50 1HB LEU 50 2.647 -3.939 -4.935 820 HB3 LEU 50 2HB LEU 50 0.996 -3.699 -4.453 821 HG LEU 50 HG LEU 50 0.993 -1.423 -5.390 822 HD11 LEU 50 1HD1 LEU 50 3.369 -0.795 -5.195 823 HD12 LEU 50 2HD1 LEU 50 3.805 -2.058 -6.363 824 HD13 LEU 50 3HD1 LEU 50 2.812 -0.674 -6.863 825 HD21 LEU 50 3HD2 LEU 50 1.974 -3.561 -7.316 826 HD22 LEU 50 1HD2 LEU 50 0.311 -3.396 -6.709 827 HD23 LEU 50 2HD2 LEU 50 1.000 -2.118 -7.710 828 H ARG 51 H ARG 51 3.756 -0.650 -2.403 829 HA ARG 51 HA ARG 51 1.403 1.152 -2.179 830 HB2 ARG 51 1HB ARG 51 3.028 0.564 -0.189 831 HB3 ARG 51 2HB ARG 51 4.102 1.730 -0.943 832 HG2 ARG 51 1HG ARG 51 1.208 2.295 -0.251 833 HG3 ARG 51 2HG ARG 51 2.508 2.551 0.895 834 HD2 ARG 51 1HD ARG 51 2.430 3.971 -1.805 835 HD3 ARG 51 2HD ARG 51 1.626 4.581 -0.374 836 HE ARG 51 HE ARG 51 3.686 4.917 0.739 837 HH11 ARG 51 2HH2 ARG 51 4.367 3.825 -2.608 838 HH12 ARG 51 1HH2 ARG 51 5.995 4.430 -2.465 839 HH21 ARG 51 1HH1 ARG 51 5.843 5.577 0.719 840 HH22 ARG 51 2HH1 ARG 51 6.786 5.314 -0.728 841 H LEU 52 H LEU 52 1.167 2.397 -3.928 842 HA LEU 52 HA LEU 52 3.625 3.523 -5.213 843 HB2 LEU 52 1HB LEU 52 2.433 2.078 -6.741 844 HB3 LEU 52 2HB LEU 52 0.956 3.007 -6.513 845 HG LEU 52 HG LEU 52 3.323 4.631 -7.381 846 HD11 LEU 52 1HD1 LEU 52 3.575 2.485 -8.693 847 HD12 LEU 52 2HD1 LEU 52 1.967 2.712 -9.337 848 HD13 LEU 52 3HD1 LEU 52 3.264 3.904 -9.667 849 HD21 LEU 52 3HD2 LEU 52 1.612 5.559 -8.943 850 HD22 LEU 52 1HD2 LEU 52 0.455 4.343 -8.393 851 HD23 LEU 52 2HD2 LEU 52 1.027 5.599 -7.269 852 H ASP 53 H ASP 53 3.802 5.699 -5.220 853 HA ASP 53 HA ASP 53 1.508 7.412 -4.369 854 HB2 ASP 53 1HB ASP 53 2.710 6.523 -2.376 855 HB3 ASP 53 2HB ASP 53 4.213 7.214 -2.975 856 H LYS 54 H LYS 54 1.398 9.075 -5.847 857 HA LYS 54 HA LYS 54 3.836 10.031 -7.181 858 HB2 LYS 54 1HB LYS 54 2.532 11.466 -8.378 859 HB3 LYS 54 2HB LYS 54 1.342 10.239 -7.987 860 HG2 LYS 54 1HG LYS 54 0.155 12.117 -7.649 861 HG3 LYS 54 2HG LYS 54 0.672 11.764 -5.999 862 HD2 LYS 54 1HD LYS 54 2.482 13.522 -6.281 863 HD3 LYS 54 2HD LYS 54 1.906 13.788 -7.944 864 HE2 LYS 54 1HE LYS 54 -0.354 14.324 -7.009 865 HE3 LYS 54 2HE LYS 54 0.296 14.116 -5.380 866 HZ1 LYS 54 3HZ LYS 54 1.993 15.866 -6.639 867 HZ2 LYS 54 1HZ LYS 54 0.490 16.371 -7.090 868 HZ3 LYS 54 2HZ LYS 54 0.889 16.245 -5.489 869 H VAL 55 H VAL 55 5.233 11.399 -6.509 870 HA VAL 55 HA VAL 55 5.231 11.483 -3.638 871 HB VAL 55 HB VAL 55 7.614 11.860 -3.853 872 HG11 VAL 55 1HG1 VAL 55 6.647 9.823 -5.843 873 HG12 VAL 55 2HG1 VAL 55 8.190 9.816 -4.994 874 HG13 VAL 55 3HG1 VAL 55 6.671 9.615 -4.087 875 HG21 VAL 55 3HG2 VAL 55 7.167 12.162 -6.845 876 HG22 VAL 55 1HG2 VAL 55 7.726 13.435 -5.732 877 HG23 VAL 55 2HG2 VAL 55 8.731 12.008 -6.016 878 H LEU 56 H LEU 56 5.987 13.023 -2.361 879 HA LEU 56 HA LEU 56 5.104 15.785 -2.763 880 HB2 LEU 56 1HB LEU 56 4.756 14.481 -0.631 881 HB3 LEU 56 2HB LEU 56 6.513 14.380 -0.448 882 HG LEU 56 HG LEU 56 6.626 16.875 -0.270 883 HD11 LEU 56 1HD1 LEU 56 4.484 18.088 0.184 884 HD12 LEU 56 2HD1 LEU 56 4.591 17.508 -1.481 885 HD13 LEU 56 3HD1 LEU 56 3.580 16.633 -0.304 886 HD21 LEU 56 3HD2 LEU 56 5.673 16.971 1.992 887 HD22 LEU 56 1HD2 LEU 56 4.717 15.504 1.673 888 HD23 LEU 56 2HD2 LEU 56 6.494 15.425 1.723 Start of MODEL 5 1 H1 MET 1 1H MET 1 -7.816 -6.938 18.746 2 H2 MET 1 2H MET 1 -8.878 -6.137 17.771 3 H3 MET 1 3H MET 1 -7.679 -6.991 17.104 4 HA MET 1 HA MET 1 -8.599 -8.998 17.463 5 HB2 MET 1 1HB MET 1 -8.772 -8.592 19.904 6 HB3 MET 1 2HB MET 1 -10.322 -7.788 19.670 7 HG2 MET 1 1HG MET 1 -9.748 -10.596 18.659 8 HG3 MET 1 2HG MET 1 -10.308 -10.292 20.302 9 HE1 MET 1 3HE MET 1 -13.342 -11.891 18.455 10 HE2 MET 1 1HE MET 1 -11.603 -12.185 18.183 11 HE3 MET 1 2HE MET 1 -12.228 -11.997 19.846 12 H VAL 2 H VAL 2 -11.152 -6.472 17.960 13 HA VAL 2 HA VAL 2 -13.058 -7.868 16.467 14 HB VAL 2 HB VAL 2 -12.795 -4.920 17.189 15 HG11 VAL 2 1HG1 VAL 2 -14.476 -5.138 15.398 16 HG12 VAL 2 2HG1 VAL 2 -15.243 -6.478 16.271 17 HG13 VAL 2 3HG1 VAL 2 -15.270 -4.830 16.941 18 HG21 VAL 2 3HG2 VAL 2 -14.311 -7.220 18.497 19 HG22 VAL 2 1HG2 VAL 2 -12.835 -6.490 19.143 20 HG23 VAL 2 2HG2 VAL 2 -14.315 -5.535 19.050 21 H GLN 3 H GLN 3 -10.734 -5.389 15.391 22 HA GLN 3 HA GLN 3 -11.810 -5.171 12.729 23 HB2 GLN 3 1HB GLN 3 -9.759 -4.020 12.237 24 HB3 GLN 3 2HB GLN 3 -10.603 -3.318 13.595 25 HG2 GLN 3 1HG GLN 3 -8.172 -5.153 13.919 26 HG3 GLN 3 2HG GLN 3 -8.063 -3.428 13.708 27 HE21 GLN 3 1HE2 GLN 3 -8.581 -2.018 15.423 28 HE22 GLN 3 2HE2 GLN 3 -8.921 -2.653 17.033 29 H ASN 4 H ASN 4 -11.935 -6.726 11.467 30 HA ASN 4 HA ASN 4 -10.056 -8.946 11.299 31 HB2 ASN 4 1HB ASN 4 -12.304 -7.895 9.526 32 HB3 ASN 4 2HB ASN 4 -11.335 -9.313 9.099 33 HD21 ASN 4 1HD2 ASN 4 -14.253 -8.525 10.378 34 HD22 ASN 4 2HD2 ASN 4 -14.410 -9.906 11.457 35 H ASP 5 H ASP 5 -8.613 -9.325 9.690 36 HA ASP 5 HA ASP 5 -7.019 -7.094 8.809 37 HB2 ASP 5 1HB ASP 5 -6.832 -10.122 8.606 38 HB3 ASP 5 2HB ASP 5 -5.581 -9.055 7.959 39 H PHE 6 H PHE 6 -9.517 -7.037 7.553 40 HA PHE 6 HA PHE 6 -10.793 -7.226 5.629 41 HB2 PHE 6 1HB PHE 6 -8.173 -6.860 4.169 42 HB3 PHE 6 2HB PHE 6 -9.770 -6.501 3.560 43 HD1 PHE 6 1HD PHE 6 -11.013 -4.932 5.796 44 HD2 PHE 6 2HD PHE 6 -7.016 -4.869 4.171 45 HE1 PHE 6 1HE PHE 6 -10.794 -2.542 6.410 46 HE2 PHE 6 2HE PHE 6 -6.806 -2.495 4.767 47 HZ PHE 6 HZ PHE 6 -8.697 -1.313 5.885 48 H VAL 7 H VAL 7 -9.982 -9.656 6.712 49 HA VAL 7 HA VAL 7 -8.570 -11.322 5.043 50 HB VAL 7 HB VAL 7 -8.672 -11.555 7.393 51 HG11 VAL 7 1HG1 VAL 7 -10.463 -12.555 8.644 52 HG12 VAL 7 2HG1 VAL 7 -11.109 -11.141 7.796 53 HG13 VAL 7 3HG1 VAL 7 -11.456 -12.766 7.205 54 HG21 VAL 7 3HG2 VAL 7 -9.609 -14.100 6.026 55 HG22 VAL 7 1HG2 VAL 7 -7.956 -13.451 6.002 56 HG23 VAL 7 2HG2 VAL 7 -8.678 -13.977 7.532 57 H ASP 8 H ASP 8 -9.342 -11.351 2.993 58 HA ASP 8 HA ASP 8 -11.055 -13.649 2.416 59 HB2 ASP 8 1HB ASP 8 -12.752 -11.827 2.588 60 HB3 ASP 8 2HB ASP 8 -11.874 -10.876 1.381 61 H SER 9 H SER 9 -10.251 -10.868 0.383 62 HA SER 9 HA SER 9 -7.871 -12.126 -0.763 63 HB2 SER 9 1HB SER 9 -10.007 -12.917 -2.002 64 HB3 SER 9 2HB SER 9 -10.100 -11.257 -2.615 65 HG SER 9 HG SER 9 -8.689 -11.892 -4.004 66 H TYR 10 H TYR 10 -7.280 -10.448 -2.681 67 HA TYR 10 HA TYR 10 -5.819 -8.662 -1.169 68 HB2 TYR 10 1HB TYR 10 -6.538 -8.585 -4.137 69 HB3 TYR 10 2HB TYR 10 -5.488 -7.388 -3.437 70 HD1 TYR 10 1HD TYR 10 -5.780 -11.092 -3.993 71 HD2 TYR 10 2HD TYR 10 -3.223 -7.736 -3.123 72 HE1 TYR 10 1HE TYR 10 -3.766 -12.522 -4.346 73 HE2 TYR 10 2HE TYR 10 -1.216 -9.148 -3.521 74 HH TYR 10 HH TYR 10 -0.425 -11.301 -3.813 75 H ASP 11 H ASP 11 -5.642 -6.548 -0.838 76 HA ASP 11 HA ASP 11 -8.117 -4.879 -0.837 77 HB2 ASP 11 1HB ASP 11 -7.695 -5.457 1.378 78 HB3 ASP 11 2HB ASP 11 -5.947 -5.483 1.155 79 H VAL 12 H VAL 12 -8.015 -3.270 -2.241 80 HA VAL 12 HA VAL 12 -5.393 -2.025 -2.843 81 HB VAL 12 HB VAL 12 -7.669 -2.387 -4.805 82 HG11 VAL 12 1HG1 VAL 12 -6.267 -0.413 -5.261 83 HG12 VAL 12 2HG1 VAL 12 -4.796 -1.385 -5.041 84 HG13 VAL 12 3HG1 VAL 12 -5.883 -1.703 -6.402 85 HG21 VAL 12 3HG2 VAL 12 -5.064 -3.892 -4.434 86 HG22 VAL 12 1HG2 VAL 12 -6.691 -4.573 -4.327 87 HG23 VAL 12 2HG2 VAL 12 -6.087 -3.999 -5.890 88 H THR 13 H THR 13 -5.392 -0.297 -1.661 89 HA THR 13 HA THR 13 -7.765 1.507 -1.434 90 HB THR 13 HB THR 13 -5.179 1.294 0.142 91 HG1 THR 13 1HG THR 13 -6.562 -0.051 1.027 92 HG21 THR 13 3HG2 THR 13 -7.165 3.543 0.026 93 HG22 THR 13 1HG2 THR 13 -6.667 2.986 1.610 94 HG23 THR 13 2HG2 THR 13 -5.463 3.562 0.489 95 H MET 14 H MET 14 -7.977 2.970 -2.907 96 HA MET 14 HA MET 14 -5.608 3.815 -4.518 97 HB2 MET 14 1HB MET 14 -7.007 2.140 -5.583 98 HB3 MET 14 2HB MET 14 -8.467 3.064 -5.210 99 HG2 MET 14 1HG MET 14 -7.927 3.336 -7.534 100 HG3 MET 14 2HG MET 14 -7.768 4.860 -6.696 101 HE1 MET 14 3HE MET 14 -5.007 3.336 -9.662 102 HE2 MET 14 1HE MET 14 -6.014 2.143 -8.806 103 HE3 MET 14 2HE MET 14 -6.760 3.597 -9.539 104 H LEU 15 H LEU 15 -5.498 5.862 -5.219 105 HA LEU 15 HA LEU 15 -7.601 7.814 -4.482 106 HB2 LEU 15 1HB LEU 15 -5.910 7.687 -2.664 107 HB3 LEU 15 2HB LEU 15 -4.632 7.853 -3.886 108 HG LEU 15 HG LEU 15 -5.492 10.127 -4.460 109 HD11 LEU 15 1HD1 LEU 15 -7.133 11.186 -3.229 110 HD12 LEU 15 2HD1 LEU 15 -7.797 9.618 -3.431 111 HD13 LEU 15 3HD1 LEU 15 -7.083 10.039 -1.895 112 HD21 LEU 15 3HD2 LEU 15 -3.700 9.531 -2.690 113 HD22 LEU 15 1HD2 LEU 15 -4.321 11.168 -2.748 114 HD23 LEU 15 2HD2 LEU 15 -4.883 10.035 -1.516 115 H LEU 16 H LEU 16 -8.139 8.934 -6.156 116 HA LEU 16 HA LEU 16 -6.134 9.674 -8.255 117 HB2 LEU 16 1HB LEU 16 -9.153 9.365 -8.448 118 HB3 LEU 16 2HB LEU 16 -8.135 9.992 -9.713 119 HG LEU 16 HG LEU 16 -8.491 7.921 -10.476 120 HD11 LEU 16 1HD1 LEU 16 -6.061 7.280 -8.781 121 HD12 LEU 16 2HD1 LEU 16 -6.605 6.459 -10.241 122 HD13 LEU 16 3HD1 LEU 16 -6.072 8.139 -10.357 123 HD21 LEU 16 3HD2 LEU 16 -8.705 5.869 -9.223 124 HD22 LEU 16 1HD2 LEU 16 -8.296 6.707 -7.713 125 HD23 LEU 16 2HD2 LEU 16 -9.791 7.107 -8.576 126 H GLN 17 H GLN 17 -6.731 11.734 -9.326 127 HA GLN 17 HA GLN 17 -7.961 13.713 -7.468 128 HB2 GLN 17 1HB GLN 17 -5.477 13.827 -7.591 129 HB3 GLN 17 2HB GLN 17 -5.600 14.139 -9.327 130 HG2 GLN 17 1HG GLN 17 -6.865 16.210 -8.868 131 HG3 GLN 17 2HG GLN 17 -6.879 15.847 -7.137 132 HE21 GLN 17 1HE2 GLN 17 -4.817 16.754 -9.891 133 HE22 GLN 17 2HE2 GLN 17 -3.481 17.301 -8.869 134 H ASP 18 H ASP 18 -9.613 14.793 -8.248 135 HA ASP 18 HA ASP 18 -10.550 14.354 -10.966 136 HB2 ASP 18 1HB ASP 18 -11.851 14.495 -8.713 137 HB3 ASP 18 2HB ASP 18 -11.709 16.239 -8.878 138 H ASP 19 H ASP 19 -11.468 16.327 -12.074 139 HA ASP 19 HA ASP 19 -9.287 17.758 -13.243 140 HB2 ASP 19 1HB ASP 19 -11.423 17.033 -14.325 141 HB3 ASP 19 2HB ASP 19 -12.295 18.246 -13.390 142 H ASP 20 H ASP 20 -11.665 18.803 -10.729 143 HA ASP 20 HA ASP 20 -10.633 21.550 -10.760 144 HB2 ASP 20 1HB ASP 20 -12.302 22.011 -9.147 145 HB3 ASP 20 2HB ASP 20 -13.048 20.976 -10.358 146 H GLY 21 H GLY 21 -9.382 18.715 -9.630 147 HA2 GLY 21 1HA GLY 21 -7.340 18.587 -8.479 148 HA3 GLY 21 2HA GLY 21 -7.692 20.092 -7.620 149 H LYS 22 H LYS 22 -10.459 18.136 -7.501 150 HA LYS 22 HA LYS 22 -10.110 17.648 -4.688 151 HB2 LYS 22 1HB LYS 22 -12.252 18.139 -5.847 152 HB3 LYS 22 2HB LYS 22 -12.199 16.542 -6.606 153 HG2 LYS 22 1HG LYS 22 -12.192 15.472 -4.347 154 HG3 LYS 22 2HG LYS 22 -12.154 17.085 -3.597 155 HD2 LYS 22 1HD LYS 22 -14.264 17.635 -4.936 156 HD3 LYS 22 2HD LYS 22 -14.347 15.915 -5.362 157 HE2 LYS 22 1HE LYS 22 -13.904 16.459 -2.476 158 HE3 LYS 22 2HE LYS 22 -15.384 17.151 -3.079 159 HZ1 LYS 22 3HZ LYS 22 -14.658 14.314 -2.937 160 HZ2 LYS 22 1HZ LYS 22 -16.106 15.032 -2.629 161 HZ3 LYS 22 2HZ LYS 22 -15.607 14.788 -4.171 162 H GLN 23 H GLN 23 -8.951 16.075 -3.804 163 HA GLN 23 HA GLN 23 -8.259 13.642 -5.318 164 HB2 GLN 23 1HB GLN 23 -7.401 14.792 -2.639 165 HB3 GLN 23 2HB GLN 23 -6.944 13.187 -3.167 166 HG2 GLN 23 1HG GLN 23 -6.012 14.078 -5.274 167 HG3 GLN 23 2HG GLN 23 -6.349 15.721 -4.707 168 HE21 GLN 23 1HE2 GLN 23 -3.945 15.696 -5.285 169 HE22 GLN 23 2HE2 GLN 23 -2.879 15.282 -3.903 170 H TYR 24 H TYR 24 -9.311 11.781 -5.166 171 HA TYR 24 HA TYR 24 -11.196 11.431 -2.877 172 HB2 TYR 24 1HB TYR 24 -12.869 10.569 -4.348 173 HB3 TYR 24 2HB TYR 24 -12.448 12.226 -4.728 174 HD1 TYR 24 2HD TYR 24 -11.190 12.781 -6.820 175 HD2 TYR 24 1HD TYR 24 -12.526 8.773 -5.942 176 HE1 TYR 24 2HE TYR 24 -11.006 12.185 -9.232 177 HE2 TYR 24 1HE TYR 24 -12.355 8.186 -8.333 178 HH TYR 24 HH TYR 24 -11.632 8.893 -10.409 179 H TYR 25 H TYR 25 -10.706 9.857 -1.691 180 HA TYR 25 HA TYR 25 -9.167 7.534 -2.536 181 HB2 TYR 25 1HB TYR 25 -10.491 8.458 0.026 182 HB3 TYR 25 2HB TYR 25 -10.060 6.774 -0.155 183 HD1 TYR 25 2HD TYR 25 -7.721 6.072 -0.681 184 HD2 TYR 25 1HD TYR 25 -8.764 10.055 0.594 185 HE1 TYR 25 2HE TYR 25 -5.369 6.449 0.066 186 HE2 TYR 25 1HE TYR 25 -6.428 10.437 1.337 187 HH TYR 25 HH TYR 25 -4.315 9.602 1.349 188 H GLU 26 H GLU 26 -9.845 5.507 -2.788 189 HA GLU 26 HA GLU 26 -12.542 4.690 -2.031 190 HB2 GLU 26 1HB GLU 26 -11.770 5.057 -4.839 191 HB3 GLU 26 2HB GLU 26 -12.122 3.398 -4.481 192 HG2 GLU 26 1HG GLU 26 -14.286 4.019 -3.448 193 HG3 GLU 26 2HG GLU 26 -13.971 5.708 -3.799 194 H TYR 27 H TYR 27 -12.675 2.495 -1.608 195 HA TYR 27 HA TYR 27 -10.048 1.152 -1.147 196 HB2 TYR 27 1HB TYR 27 -12.634 1.090 0.439 197 HB3 TYR 27 2HB TYR 27 -11.154 0.246 0.859 198 HD1 TYR 27 1HD TYR 27 -9.192 1.559 1.677 199 HD2 TYR 27 2HD TYR 27 -12.921 3.455 0.755 200 HE1 TYR 27 1HE TYR 27 -8.456 3.581 2.930 201 HE2 TYR 27 2HE TYR 27 -12.209 5.487 1.984 202 HH TYR 27 HH TYR 27 -9.063 5.920 3.490 203 H HIS 28 H HIS 28 -9.844 -0.492 -2.577 204 HA HIS 28 HA HIS 28 -12.310 -1.922 -3.487 205 HB2 HIS 28 1HB HIS 28 -9.685 -1.444 -4.935 206 HB3 HIS 28 2HB HIS 28 -11.082 -2.301 -5.567 207 HD1 HIS 28 1HD HIS 28 -13.379 -0.651 -5.807 208 HD2 HIS 28 2HD HIS 28 -9.536 1.053 -5.492 209 HE1 HIS 28 1HE HIS 28 -13.559 1.704 -6.816 210 HE2 HIS 28 2HE HIS 28 -11.239 2.766 -6.601 211 H LYS 29 H LYS 29 -12.190 -3.317 -1.706 212 HA LYS 29 HA LYS 29 -9.920 -5.245 -1.771 213 HB2 LYS 29 1HB LYS 29 -10.321 -5.697 0.564 214 HB3 LYS 29 2HB LYS 29 -10.107 -3.963 0.333 215 HG2 LYS 29 1HG LYS 29 -12.507 -3.566 0.506 216 HG3 LYS 29 2HG LYS 29 -12.847 -5.306 0.513 217 HD2 LYS 29 1HD LYS 29 -11.636 -5.577 2.644 218 HD3 LYS 29 2HD LYS 29 -11.210 -3.852 2.626 219 HE2 LYS 29 1HE LYS 29 -13.082 -4.079 4.106 220 HE3 LYS 29 2HE LYS 29 -13.639 -3.268 2.617 221 HZ1 LYS 29 3HZ LYS 29 -14.188 -6.021 3.503 222 HZ2 LYS 29 1HZ LYS 29 -15.239 -4.877 3.018 223 HZ3 LYS 29 2HZ LYS 29 -14.298 -5.635 1.925 224 H GLY 30 H GLY 30 -10.389 -7.433 -1.034 225 HA2 GLY 30 1HA GLY 30 -11.556 -9.450 -1.155 226 HA3 GLY 30 2HA GLY 30 -13.067 -8.560 -1.400 227 H LEU 31 H LEU 31 -10.064 -8.381 -3.323 228 HA LEU 31 HA LEU 31 -11.368 -9.725 -5.607 229 HB2 LEU 31 1HB LEU 31 -10.809 -7.895 -7.129 230 HB3 LEU 31 2HB LEU 31 -12.002 -7.479 -5.941 231 HG LEU 31 HG LEU 31 -10.313 -6.185 -4.641 232 HD11 LEU 31 1HD1 LEU 31 -8.173 -7.171 -5.308 233 HD12 LEU 31 2HD1 LEU 31 -8.480 -6.756 -7.014 234 HD13 LEU 31 3HD1 LEU 31 -8.219 -5.489 -5.812 235 HD21 LEU 31 3HD2 LEU 31 -11.790 -5.124 -6.307 236 HD22 LEU 31 1HD2 LEU 31 -10.204 -4.328 -6.252 237 HD23 LEU 31 2HD2 LEU 31 -10.590 -5.433 -7.579 238 H SER 32 H SER 32 -9.344 -9.407 -7.527 239 HA SER 32 HA SER 32 -6.908 -10.335 -6.085 240 HB2 SER 32 1HB SER 32 -6.726 -12.333 -7.243 241 HB3 SER 32 2HB SER 32 -8.427 -12.278 -6.792 242 HG SER 32 HG SER 32 -8.985 -11.814 -8.870 243 H LEU 33 H LEU 33 -5.175 -10.893 -7.919 244 HA LEU 33 HA LEU 33 -4.366 -8.282 -8.634 245 HB2 LEU 33 1HB LEU 33 -3.324 -10.991 -9.507 246 HB3 LEU 33 2HB LEU 33 -2.514 -9.472 -9.864 247 HG LEU 33 HG LEU 33 -3.111 -10.469 -7.040 248 HD11 LEU 33 1HD1 LEU 33 -0.499 -10.400 -8.594 249 HD12 LEU 33 2HD1 LEU 33 -0.724 -10.942 -6.913 250 HD13 LEU 33 3HD1 LEU 33 -1.446 -11.863 -8.234 251 HD21 LEU 33 3HD2 LEU 33 -2.933 -8.026 -7.069 252 HD22 LEU 33 1HD2 LEU 33 -1.463 -8.703 -6.378 253 HD23 LEU 33 2HD2 LEU 33 -1.460 -8.111 -8.053 254 H SER 34 H SER 34 -6.025 -10.708 -10.677 255 HA SER 34 HA SER 34 -5.777 -9.250 -13.119 256 HB2 SER 34 1HB SER 34 -7.941 -11.174 -12.180 257 HB3 SER 34 2HB SER 34 -7.587 -10.723 -13.854 258 HG SER 34 HG SER 34 -5.703 -11.806 -13.779 259 H ASP 35 H ASP 35 -7.931 -8.860 -10.348 260 HA ASP 35 HA ASP 35 -9.818 -7.068 -11.763 261 HB2 ASP 35 1HB ASP 35 -9.504 -7.988 -8.891 262 HB3 ASP 35 2HB ASP 35 -10.737 -6.841 -9.418 263 H PHE 36 H PHE 36 -7.039 -6.927 -9.573 264 HA PHE 36 HA PHE 36 -6.987 -4.062 -9.221 265 HB2 PHE 36 1HB PHE 36 -5.612 -5.335 -7.788 266 HB3 PHE 36 2HB PHE 36 -4.969 -6.294 -9.103 267 HD1 PHE 36 1HD PHE 36 -5.183 -2.657 -8.263 268 HD2 PHE 36 2HD PHE 36 -2.777 -5.887 -9.780 269 HE1 PHE 36 1HE PHE 36 -3.334 -1.100 -8.675 270 HE2 PHE 36 2HE PHE 36 -0.894 -4.315 -10.152 271 HZ PHE 36 HZ PHE 36 -1.191 -1.890 -9.611 272 H GLU 37 H GLU 37 -5.563 -6.207 -11.782 273 HA GLU 37 HA GLU 37 -4.475 -4.126 -13.364 274 HB2 GLU 37 1HB GLU 37 -5.451 -6.934 -13.917 275 HB3 GLU 37 2HB GLU 37 -4.905 -5.892 -15.235 276 HG2 GLU 37 1HG GLU 37 -2.734 -5.575 -14.235 277 HG3 GLU 37 2HG GLU 37 -3.242 -6.342 -12.733 278 H VAL 38 H VAL 38 -7.854 -5.033 -13.006 279 HA VAL 38 HA VAL 38 -8.745 -3.432 -15.295 280 HB VAL 38 HB VAL 38 -10.299 -4.407 -12.870 281 HG11 VAL 38 1HG1 VAL 38 -12.300 -3.911 -14.235 282 HG12 VAL 38 2HG1 VAL 38 -11.398 -2.444 -13.843 283 HG13 VAL 38 3HG1 VAL 38 -11.251 -3.152 -15.468 284 HG21 VAL 38 3HG2 VAL 38 -10.989 -5.587 -15.437 285 HG22 VAL 38 1HG2 VAL 38 -9.319 -5.872 -15.091 286 HG23 VAL 38 2HG2 VAL 38 -10.533 -6.369 -13.943 287 H LEU 39 H LEU 39 -8.524 -2.859 -11.736 288 HA LEU 39 HA LEU 39 -9.438 -0.159 -11.809 289 HB2 LEU 39 1HB LEU 39 -9.167 -1.553 -9.752 290 HB3 LEU 39 2HB LEU 39 -7.426 -1.478 -9.946 291 HG LEU 39 HG LEU 39 -7.637 1.089 -9.742 292 HD11 LEU 39 1HD1 LEU 39 -10.356 0.299 -8.616 293 HD12 LEU 39 2HD1 LEU 39 -9.629 1.928 -8.604 294 HD13 LEU 39 3HD1 LEU 39 -10.123 1.174 -10.126 295 HD21 LEU 39 3HD2 LEU 39 -7.796 0.934 -7.274 296 HD22 LEU 39 1HD2 LEU 39 -8.444 -0.714 -7.421 297 HD23 LEU 39 2HD2 LEU 39 -6.785 -0.346 -7.953 298 H TYR 40 H TYR 40 -6.077 -1.423 -11.976 299 HA TYR 40 HA TYR 40 -4.878 1.145 -12.390 300 HB2 TYR 40 1HB TYR 40 -3.698 -0.837 -11.558 301 HB3 TYR 40 2HB TYR 40 -3.897 -1.631 -13.115 302 HD1 TYR 40 2HD TYR 40 -2.535 1.526 -11.581 303 HD2 TYR 40 1HD TYR 40 -2.205 -1.371 -14.755 304 HE1 TYR 40 2HE TYR 40 -0.498 2.677 -12.425 305 HE2 TYR 40 1HE TYR 40 -0.188 -0.212 -15.605 306 HH TYR 40 HH TYR 40 0.894 1.994 -15.594 307 H GLY 41 H GLY 41 -6.233 -1.211 -14.730 308 HA2 GLY 41 1HA GLY 41 -5.184 0.181 -17.052 309 HA3 GLY 41 2HA GLY 41 -6.316 -1.174 -17.023 310 H ASN 42 H ASN 42 -8.217 0.378 -15.273 311 HA ASN 42 HA ASN 42 -9.466 1.957 -17.477 312 HB2 ASN 42 1HB ASN 42 -10.488 -0.179 -16.632 313 HB3 ASN 42 2HB ASN 42 -10.657 0.571 -15.043 314 HD21 ASN 42 1HD2 ASN 42 -12.571 1.537 -14.639 315 HD22 ASN 42 2HD2 ASN 42 -13.687 2.058 -15.920 316 H THR 43 H THR 43 -8.581 2.164 -14.078 317 HA THR 43 HA THR 43 -10.189 4.636 -13.729 318 HB THR 43 HB THR 43 -9.494 2.454 -11.756 319 HG1 THR 43 1HG THR 43 -11.918 2.139 -12.315 320 HG21 THR 43 3HG2 THR 43 -11.589 3.190 -10.610 321 HG22 THR 43 1HG2 THR 43 -10.309 4.398 -10.573 322 HG23 THR 43 2HG2 THR 43 -11.655 4.586 -11.718 323 H ALA 44 H ALA 44 -6.987 3.656 -13.743 324 HA ALA 44 HA ALA 44 -5.813 5.155 -11.642 325 HB1 ALA 44 3HB ALA 44 -4.677 4.237 -14.293 326 HB2 ALA 44 1HB ALA 44 -3.744 4.729 -12.862 327 HB3 ALA 44 2HB ALA 44 -4.764 3.288 -12.793 328 H ASP 45 H ASP 45 -7.748 6.799 -13.131 329 HA ASP 45 HA ASP 45 -6.525 8.687 -14.919 330 HB2 ASP 45 1HB ASP 45 -9.094 8.815 -13.294 331 HB3 ASP 45 2HB ASP 45 -8.648 9.918 -14.596 332 H GLU 46 H GLU 46 -4.809 9.717 -14.114 333 HA GLU 46 HA GLU 46 -3.388 10.944 -12.836 334 HB2 GLU 46 1HB GLU 46 -5.879 12.459 -12.004 335 HB3 GLU 46 2HB GLU 46 -4.209 12.939 -11.673 336 HG2 GLU 46 1HG GLU 46 -3.761 12.851 -14.162 337 HG3 GLU 46 2HG GLU 46 -5.499 12.643 -14.414 338 H ILE 47 H ILE 47 -3.500 8.669 -11.867 339 HA ILE 47 HA ILE 47 -4.198 8.386 -9.147 340 HB ILE 47 HB ILE 47 -3.858 6.541 -10.576 341 HG12 ILE 47 1HG1 ILE 47 -3.467 6.355 -8.085 342 HG13 ILE 47 2HG1 ILE 47 -2.946 5.035 -9.125 343 HG21 ILE 47 1HG2 ILE 47 -1.658 5.723 -11.340 344 HG22 ILE 47 2HG2 ILE 47 -2.142 7.235 -12.102 345 HG23 ILE 47 3HG2 ILE 47 -0.923 7.253 -10.817 346 HD11 ILE 47 3HD1 ILE 47 -0.958 7.097 -8.102 347 HD12 ILE 47 1HD1 ILE 47 -1.345 5.610 -7.265 348 HD13 ILE 47 2HD1 ILE 47 -0.662 5.583 -8.879 349 H ILE 48 H ILE 48 -3.403 8.761 -7.337 350 HA ILE 48 HA ILE 48 -0.918 10.389 -7.049 351 HB ILE 48 HB ILE 48 -3.423 10.495 -5.347 352 HG12 ILE 48 1HG1 ILE 48 -4.045 11.402 -7.494 353 HG13 ILE 48 2HG1 ILE 48 -3.936 12.670 -6.287 354 HG21 ILE 48 1HG2 ILE 48 -1.439 11.144 -4.100 355 HG22 ILE 48 2HG2 ILE 48 -0.927 12.226 -5.402 356 HG23 ILE 48 3HG2 ILE 48 -2.395 12.584 -4.454 357 HD11 ILE 48 3HD1 ILE 48 -1.881 13.503 -7.226 358 HD12 ILE 48 1HD1 ILE 48 -1.727 12.134 -8.296 359 HD13 ILE 48 2HD1 ILE 48 -3.011 13.282 -8.537 360 H LYS 49 H LYS 49 -3.099 8.017 -5.387 361 HA LYS 49 HA LYS 49 -0.657 6.690 -4.362 362 HB2 LYS 49 1HB LYS 49 -3.010 7.313 -2.530 363 HB3 LYS 49 2HB LYS 49 -1.613 6.326 -2.147 364 HG2 LYS 49 1HG LYS 49 -0.126 8.301 -2.454 365 HG3 LYS 49 2HG LYS 49 -1.533 9.316 -2.736 366 HD2 LYS 49 1HD LYS 49 -2.452 8.804 -0.544 367 HD3 LYS 49 2HD LYS 49 -1.138 7.666 -0.199 368 HE2 LYS 49 1HE LYS 49 -0.628 10.593 -0.861 369 HE3 LYS 49 2HE LYS 49 -0.981 10.057 0.787 370 HZ1 LYS 49 3HZ LYS 49 0.940 8.628 0.713 371 HZ2 LYS 49 1HZ LYS 49 1.261 8.896 -0.833 372 HZ3 LYS 49 2HZ LYS 49 1.452 10.127 0.232 373 H LEU 50 H LEU 50 -0.777 4.566 -4.282 374 HA LEU 50 HA LEU 50 -3.358 3.127 -4.427 375 HB2 LEU 50 1HB LEU 50 -2.508 3.705 -6.721 376 HB3 LEU 50 2HB LEU 50 -1.091 2.722 -6.401 377 HG LEU 50 HG LEU 50 -3.979 1.749 -6.477 378 HD11 LEU 50 1HD1 LEU 50 -1.689 1.293 -8.438 379 HD12 LEU 50 2HD1 LEU 50 -3.422 0.929 -8.668 380 HD13 LEU 50 3HD1 LEU 50 -2.888 2.586 -8.628 381 HD21 LEU 50 3HD2 LEU 50 -2.737 0.212 -5.048 382 HD22 LEU 50 1HD2 LEU 50 -2.925 -0.544 -6.609 383 HD23 LEU 50 2HD2 LEU 50 -1.369 0.197 -6.187 384 H ARG 51 H ARG 51 -3.162 2.100 -2.572 385 HA ARG 51 HA ARG 51 -0.660 0.598 -1.903 386 HB2 ARG 51 1HB ARG 51 -1.792 2.152 -0.161 387 HB3 ARG 51 2HB ARG 51 -3.127 0.988 -0.167 388 HG2 ARG 51 1HG ARG 51 -1.441 -0.843 0.343 389 HG3 ARG 51 2HG ARG 51 -0.217 0.404 0.438 390 HD2 ARG 51 1HD ARG 51 -0.972 -0.304 2.665 391 HD3 ARG 51 2HD ARG 51 -1.247 1.414 2.360 392 HE ARG 51 HE ARG 51 -3.413 1.039 2.923 393 HH11 ARG 51 2HH2 ARG 51 -2.458 -2.196 1.577 394 HH12 ARG 51 1HH2 ARG 51 -4.172 -2.643 1.710 395 HH21 ARG 51 1HH1 ARG 51 -5.419 0.017 3.227 396 HH22 ARG 51 2HH1 ARG 51 -5.549 -1.625 2.559 397 H LEU 52 H LEU 52 -0.648 -1.533 -2.342 398 HA LEU 52 HA LEU 52 -3.239 -2.977 -2.314 399 HB2 LEU 52 1HB LEU 52 -2.728 -2.755 -4.589 400 HB3 LEU 52 2HB LEU 52 -1.059 -3.194 -4.370 401 HG LEU 52 HG LEU 52 -3.293 -5.183 -3.779 402 HD11 LEU 52 1HD1 LEU 52 -1.822 -4.772 -6.420 403 HD12 LEU 52 2HD1 LEU 52 -3.073 -5.988 -6.064 404 HD13 LEU 52 3HD1 LEU 52 -3.496 -4.280 -6.113 405 HD21 LEU 52 3HD2 LEU 52 -0.331 -5.422 -4.382 406 HD22 LEU 52 1HD2 LEU 52 -1.207 -6.098 -3.001 407 HD23 LEU 52 2HD2 LEU 52 -1.430 -6.789 -4.600 408 H ASP 53 H ASP 53 -3.294 -4.638 -1.017 409 HA ASP 53 HA ASP 53 -0.762 -5.911 -0.033 410 HB2 ASP 53 1HB ASP 53 -3.187 -4.910 1.513 411 HB3 ASP 53 2HB ASP 53 -2.186 -6.221 2.114 412 H LYS 54 H LYS 54 -0.811 -8.143 -0.236 413 HA LYS 54 HA LYS 54 -3.413 -9.488 -0.646 414 HB2 LYS 54 1HB LYS 54 -2.324 -11.463 -0.809 415 HB3 LYS 54 2HB LYS 54 -1.087 -10.363 -1.369 416 HG2 LYS 54 1HG LYS 54 0.123 -11.748 -0.041 417 HG3 LYS 54 2HG LYS 54 -0.200 -10.441 1.102 418 HD2 LYS 54 1HD LYS 54 -1.990 -11.815 2.147 419 HD3 LYS 54 2HD LYS 54 -1.808 -13.040 0.878 420 HE2 LYS 54 1HE LYS 54 0.499 -13.456 1.599 421 HE3 LYS 54 2HE LYS 54 0.372 -12.180 2.823 422 HZ1 LYS 54 3HZ LYS 54 -0.029 -14.383 3.783 423 HZ2 LYS 54 1HZ LYS 54 -1.369 -13.482 3.955 424 HZ3 LYS 54 2HZ LYS 54 -1.322 -14.612 2.782 425 H VAL 55 H VAL 55 -4.682 -10.332 0.872 426 HA VAL 55 HA VAL 55 -4.392 -8.980 3.452 427 HB VAL 55 HB VAL 55 -6.729 -9.501 3.776 428 HG11 VAL 55 1HG1 VAL 55 -7.619 -8.102 2.008 429 HG12 VAL 55 2HG1 VAL 55 -6.050 -7.492 2.562 430 HG13 VAL 55 3HG1 VAL 55 -6.171 -8.371 1.027 431 HG21 VAL 55 3HG2 VAL 55 -6.958 -11.686 2.708 432 HG22 VAL 55 1HG2 VAL 55 -8.081 -10.505 2.017 433 HG23 VAL 55 2HG2 VAL 55 -6.625 -10.963 1.122 434 H LEU 56 H LEU 56 -4.324 -9.794 5.320 435 HA LEU 56 HA LEU 56 -3.278 -10.981 6.893 436 HB2 LEU 56 1HB LEU 56 -5.618 -11.807 7.016 437 HB3 LEU 56 2HB LEU 56 -5.186 -13.151 5.968 438 HG LEU 56 HG LEU 56 -3.587 -13.978 7.697 439 HD11 LEU 56 1HD1 LEU 56 -3.773 -12.990 10.011 440 HD12 LEU 56 2HD1 LEU 56 -2.970 -11.919 8.870 441 HD13 LEU 56 3HD1 LEU 56 -4.660 -11.628 9.320 442 HD21 LEU 56 3HD2 LEU 56 -6.384 -13.405 8.745 443 HD22 LEU 56 1HD2 LEU 56 -5.941 -14.743 7.657 444 HD23 LEU 56 2HD2 LEU 56 -5.297 -14.691 9.308 445 H1 MET 1 1H MET 1 9.170 16.639 -3.155 446 H2 MET 1 2H MET 1 10.169 15.634 -2.353 447 H3 MET 1 3H MET 1 10.719 16.391 -3.709 448 HA MET 1 HA MET 1 10.449 18.541 -2.686 449 HB2 MET 1 1HB MET 1 8.685 17.833 -1.099 450 HB3 MET 1 2HB MET 1 9.896 16.984 -0.138 451 HG2 MET 1 1HG MET 1 9.398 19.231 0.762 452 HG3 MET 1 2HG MET 1 11.085 19.106 0.251 453 HE1 MET 1 3HE MET 1 9.454 21.999 0.700 454 HE2 MET 1 1HE MET 1 11.161 21.485 0.605 455 HE3 MET 1 2HE MET 1 10.552 22.754 -0.487 456 H VAL 2 H VAL 2 11.988 15.727 -0.962 457 HA VAL 2 HA VAL 2 14.532 17.233 -0.995 458 HB VAL 2 HB VAL 2 14.089 16.272 1.082 459 HG11 VAL 2 1HG1 VAL 2 12.526 14.515 0.739 460 HG12 VAL 2 2HG1 VAL 2 13.635 13.605 -0.274 461 HG13 VAL 2 3HG1 VAL 2 13.963 13.786 1.425 462 HG21 VAL 2 3HG2 VAL 2 16.174 14.547 -0.301 463 HG22 VAL 2 1HG2 VAL 2 16.414 16.228 0.242 464 HG23 VAL 2 2HG2 VAL 2 16.081 14.954 1.423 465 H GLN 3 H GLN 3 15.062 17.359 -3.042 466 HA GLN 3 HA GLN 3 14.402 15.408 -4.942 467 HB2 GLN 3 1HB GLN 3 16.211 17.845 -5.240 468 HB3 GLN 3 2HB GLN 3 15.351 17.032 -6.541 469 HG2 GLN 3 1HG GLN 3 14.106 18.657 -4.296 470 HG3 GLN 3 2HG GLN 3 14.247 19.102 -5.981 471 HE21 GLN 3 1HE2 GLN 3 12.708 18.322 -7.499 472 HE22 GLN 3 2HE2 GLN 3 11.249 17.496 -6.938 473 H ASN 4 H ASN 4 16.185 14.390 -3.181 474 HA ASN 4 HA ASN 4 18.036 13.024 -5.059 475 HB2 ASN 4 1HB ASN 4 19.935 13.056 -3.541 476 HB3 ASN 4 2HB ASN 4 19.444 14.704 -3.930 477 HD21 ASN 4 1HD2 ASN 4 18.905 16.092 -2.225 478 HD22 ASN 4 2HD2 ASN 4 18.864 15.496 -0.554 479 H ASP 5 H ASP 5 15.654 12.759 -2.739 480 HA ASP 5 HA ASP 5 16.194 9.857 -2.418 481 HB2 ASP 5 1HB ASP 5 17.092 11.056 -0.423 482 HB3 ASP 5 2HB ASP 5 15.495 11.751 -0.147 483 H PHE 6 H PHE 6 13.898 12.535 -2.199 484 HA PHE 6 HA PHE 6 11.846 10.799 -3.424 485 HB2 PHE 6 1HB PHE 6 11.492 12.399 -0.887 486 HB3 PHE 6 2HB PHE 6 10.146 12.150 -1.979 487 HD1 PHE 6 1HD PHE 6 9.272 9.883 -2.492 488 HD2 PHE 6 2HD PHE 6 12.284 10.552 0.525 489 HE1 PHE 6 1HE PHE 6 8.731 7.693 -1.474 490 HE2 PHE 6 2HE PHE 6 11.732 8.380 1.555 491 HZ PHE 6 HZ PHE 6 9.959 6.930 0.554 492 H VAL 7 H VAL 7 12.968 11.862 -5.145 493 HA VAL 7 HA VAL 7 12.292 14.642 -5.754 494 HB VAL 7 HB VAL 7 14.376 13.440 -6.530 495 HG11 VAL 7 1HG1 VAL 7 12.594 12.129 -8.624 496 HG12 VAL 7 2HG1 VAL 7 14.348 11.984 -8.439 497 HG13 VAL 7 3HG1 VAL 7 13.270 11.267 -7.230 498 HG21 VAL 7 3HG2 VAL 7 14.457 14.511 -8.678 499 HG22 VAL 7 1HG2 VAL 7 12.690 14.583 -8.783 500 HG23 VAL 7 2HG2 VAL 7 13.555 15.540 -7.559 501 H ASP 8 H ASP 8 10.736 15.324 -7.297 502 HA ASP 8 HA ASP 8 8.321 13.916 -7.467 503 HB2 ASP 8 1HB ASP 8 9.310 15.810 -9.581 504 HB3 ASP 8 2HB ASP 8 7.658 15.440 -9.179 505 H SER 9 H SER 9 7.425 12.791 -8.909 506 HA SER 9 HA SER 9 7.917 11.058 -10.985 507 HB2 SER 9 1HB SER 9 9.860 10.540 -8.690 508 HB3 SER 9 2HB SER 9 9.369 9.277 -9.801 509 HG SER 9 HG SER 9 11.115 11.281 -10.112 510 H TYR 10 H TYR 10 7.474 8.641 -10.137 511 HA TYR 10 HA TYR 10 5.579 8.667 -7.820 512 HB2 TYR 10 1HB TYR 10 6.130 6.672 -10.049 513 HB3 TYR 10 2HB TYR 10 5.232 6.269 -8.596 514 HD1 TYR 10 1HD TYR 10 5.208 8.506 -11.590 515 HD2 TYR 10 2HD TYR 10 2.990 6.964 -8.238 516 HE1 TYR 10 1HE TYR 10 3.107 9.506 -12.516 517 HE2 TYR 10 2HE TYR 10 0.910 7.958 -9.151 518 HH TYR 10 HH TYR 10 0.006 9.387 -10.688 519 H ASP 11 H ASP 11 5.881 7.064 -6.263 520 HA ASP 11 HA ASP 11 8.581 5.839 -5.885 521 HB2 ASP 11 1HB ASP 11 8.036 7.281 -4.006 522 HB3 ASP 11 2HB ASP 11 6.377 6.700 -3.971 523 H VAL 12 H VAL 12 8.610 3.660 -5.785 524 HA VAL 12 HA VAL 12 6.044 2.136 -5.690 525 HB VAL 12 HB VAL 12 8.374 1.569 -7.551 526 HG11 VAL 12 1HG1 VAL 12 6.951 -0.299 -8.333 527 HG12 VAL 12 2HG1 VAL 12 7.401 -0.536 -6.638 528 HG13 VAL 12 3HG1 VAL 12 5.774 0.034 -7.037 529 HG21 VAL 12 3HG2 VAL 12 6.752 1.880 -9.330 530 HG22 VAL 12 1HG2 VAL 12 5.459 2.183 -8.140 531 HG23 VAL 12 2HG2 VAL 12 6.771 3.348 -8.346 532 H THR 13 H THR 13 6.249 1.739 -3.607 533 HA THR 13 HA THR 13 8.575 0.177 -2.547 534 HB THR 13 HB THR 13 5.926 0.691 -1.166 535 HG1 THR 13 1HG THR 13 7.299 2.679 -1.884 536 HG21 THR 13 3HG2 THR 13 8.754 0.250 -0.117 537 HG22 THR 13 1HG2 THR 13 7.295 0.490 0.860 538 HG23 THR 13 2HG2 THR 13 7.468 -0.976 -0.124 539 H MET 14 H MET 14 8.464 -2.109 -2.290 540 HA MET 14 HA MET 14 5.934 -3.480 -2.914 541 HB2 MET 14 1HB MET 14 7.156 -2.987 -5.103 542 HB3 MET 14 2HB MET 14 8.404 -4.112 -4.566 543 HG2 MET 14 1HG MET 14 6.739 -5.922 -4.433 544 HG3 MET 14 2HG MET 14 5.438 -4.817 -4.777 545 HE1 MET 14 3HE MET 14 4.704 -4.232 -7.532 546 HE2 MET 14 1HE MET 14 5.896 -3.105 -6.833 547 HE3 MET 14 2HE MET 14 6.154 -3.783 -8.445 548 H LEU 15 H LEU 15 5.875 -5.652 -2.322 549 HA LEU 15 HA LEU 15 8.193 -6.723 -0.836 550 HB2 LEU 15 1HB LEU 15 6.329 -5.284 0.419 551 HB3 LEU 15 2HB LEU 15 5.430 -6.804 0.387 552 HG LEU 15 HG LEU 15 8.292 -6.564 1.414 553 HD11 LEU 15 1HD1 LEU 15 6.749 -5.016 2.625 554 HD12 LEU 15 2HD1 LEU 15 5.722 -6.410 3.017 555 HD13 LEU 15 3HD1 LEU 15 7.380 -6.314 3.643 556 HD21 LEU 15 3HD2 LEU 15 7.671 -8.548 2.744 557 HD22 LEU 15 1HD2 LEU 15 6.071 -8.592 1.975 558 HD23 LEU 15 2HD2 LEU 15 7.533 -8.901 1.021 559 H LEU 16 H LEU 16 8.556 -8.721 -1.330 560 HA LEU 16 HA LEU 16 6.458 -10.408 -2.633 561 HB2 LEU 16 1HB LEU 16 9.439 -10.300 -3.236 562 HB3 LEU 16 2HB LEU 16 8.291 -11.379 -3.973 563 HG LEU 16 HG LEU 16 8.611 -9.919 -5.630 564 HD11 LEU 16 1HD1 LEU 16 6.218 -10.054 -5.291 565 HD12 LEU 16 2HD1 LEU 16 6.262 -8.612 -4.232 566 HD13 LEU 16 3HD1 LEU 16 6.688 -8.449 -5.918 567 HD21 LEU 16 3HD2 LEU 16 9.815 -8.118 -5.304 568 HD22 LEU 16 1HD2 LEU 16 8.369 -7.262 -4.874 569 HD23 LEU 16 2HD2 LEU 16 9.353 -7.970 -3.618 570 H GLN 17 H GLN 17 7.269 -12.748 -2.671 571 HA GLN 17 HA GLN 17 8.464 -13.469 -0.028 572 HB2 GLN 17 1HB GLN 17 5.975 -13.615 -0.099 573 HB3 GLN 17 2HB GLN 17 6.104 -14.808 -1.397 574 HG2 GLN 17 1HG GLN 17 7.384 -16.305 0.118 575 HG3 GLN 17 2HG GLN 17 7.337 -15.079 1.390 576 HE21 GLN 17 1HE2 GLN 17 5.544 -17.595 -0.262 577 HE22 GLN 17 2HE2 GLN 17 4.116 -17.455 0.764 578 H ASP 18 H ASP 18 10.008 -14.948 -0.043 579 HA ASP 18 HA ASP 18 11.106 -15.896 -2.590 580 HB2 ASP 18 1HB ASP 18 12.453 -15.015 -0.679 581 HB3 ASP 18 2HB ASP 18 11.854 -16.336 0.327 582 H ASP 19 H ASP 19 11.704 -18.207 -2.880 583 HA ASP 19 HA ASP 19 9.476 -19.965 -2.640 584 HB2 ASP 19 1HB ASP 19 10.985 -21.636 -3.574 585 HB3 ASP 19 2HB ASP 19 11.129 -20.102 -4.430 586 H ASP 20 H ASP 20 12.116 -19.334 -0.360 587 HA ASP 20 HA ASP 20 11.629 -21.740 1.218 588 HB2 ASP 20 1HB ASP 20 13.762 -20.398 1.107 589 HB3 ASP 20 2HB ASP 20 12.929 -19.097 1.960 590 H GLY 21 H GLY 21 9.741 -19.004 0.680 591 HA2 GLY 21 1HA GLY 21 7.627 -18.620 1.588 592 HA3 GLY 21 2HA GLY 21 8.033 -19.589 3.011 593 H LYS 22 H LYS 22 10.482 -17.354 2.401 594 HA LYS 22 HA LYS 22 9.500 -15.624 4.608 595 HB2 LYS 22 1HB LYS 22 11.823 -14.928 4.889 596 HB3 LYS 22 2HB LYS 22 11.622 -16.676 5.006 597 HG2 LYS 22 1HG LYS 22 12.415 -16.907 2.641 598 HG3 LYS 22 2HG LYS 22 12.698 -15.156 2.583 599 HD2 LYS 22 1HD LYS 22 14.299 -15.343 4.454 600 HD3 LYS 22 2HD LYS 22 13.957 -17.094 4.577 601 HE2 LYS 22 1HE LYS 22 14.570 -17.299 2.134 602 HE3 LYS 22 2HE LYS 22 15.092 -15.615 2.164 603 HZ1 LYS 22 3HZ LYS 22 16.923 -17.183 2.550 604 HZ2 LYS 22 1HZ LYS 22 16.706 -16.209 3.863 605 HZ3 LYS 22 2HZ LYS 22 16.166 -17.764 3.893 606 H GLN 23 H GLN 23 9.489 -13.432 4.503 607 HA GLN 23 HA GLN 23 8.875 -12.442 1.783 608 HB2 GLN 23 1HB GLN 23 8.056 -11.542 4.565 609 HB3 GLN 23 2HB GLN 23 7.619 -10.706 3.068 610 HG2 GLN 23 1HG GLN 23 6.509 -12.696 2.190 611 HG3 GLN 23 2HG GLN 23 6.955 -13.623 3.628 612 HE21 GLN 23 1HE2 GLN 23 4.458 -13.886 3.294 613 HE22 GLN 23 2HE2 GLN 23 3.559 -12.726 4.315 614 H TYR 24 H TYR 24 9.712 -10.627 0.908 615 HA TYR 24 HA TYR 24 11.777 -9.161 2.437 616 HB2 TYR 24 1HB TYR 24 13.441 -9.404 0.763 617 HB3 TYR 24 2HB TYR 24 12.928 -11.007 1.245 618 HD1 TYR 24 1HD TYR 24 11.612 -12.440 -0.321 619 HD2 TYR 24 2HD TYR 24 13.025 -8.524 -1.473 620 HE1 TYR 24 1HE TYR 24 11.280 -13.013 -2.730 621 HE2 TYR 24 2HE TYR 24 12.690 -9.082 -3.850 622 HH TYR 24 HH TYR 24 11.942 -10.628 -5.298 623 H TYR 25 H TYR 25 12.370 -7.198 1.567 624 HA TYR 25 HA TYR 25 10.083 -5.853 0.247 625 HB2 TYR 25 1HB TYR 25 10.095 -5.526 2.583 626 HB3 TYR 25 2HB TYR 25 11.830 -5.409 2.665 627 HD1 TYR 25 2HD TYR 25 8.750 -3.577 1.769 628 HD2 TYR 25 1HD TYR 25 13.005 -3.380 2.375 629 HE1 TYR 25 2HE TYR 25 8.593 -1.118 2.138 630 HE2 TYR 25 1HE TYR 25 12.863 -0.938 2.714 631 HH TYR 25 HH TYR 25 11.483 0.873 2.790 632 H GLU 26 H GLU 26 10.372 -4.170 -1.083 633 HA GLU 26 HA GLU 26 13.105 -3.240 -1.739 634 HB2 GLU 26 1HB GLU 26 10.979 -4.052 -3.772 635 HB3 GLU 26 2HB GLU 26 12.481 -3.185 -4.103 636 HG2 GLU 26 1HG GLU 26 13.760 -5.156 -3.185 637 HG3 GLU 26 2HG GLU 26 12.229 -6.043 -3.103 638 H TYR 27 H TYR 27 13.138 -1.160 -2.680 639 HA TYR 27 HA TYR 27 10.637 0.365 -2.820 640 HB2 TYR 27 1HB TYR 27 11.559 2.198 -1.487 641 HB3 TYR 27 2HB TYR 27 11.378 0.735 -0.544 642 HD1 TYR 27 1HD TYR 27 13.302 -0.568 0.211 643 HD2 TYR 27 2HD TYR 27 13.832 3.049 -2.017 644 HE1 TYR 27 1HE TYR 27 15.678 -0.471 0.956 645 HE2 TYR 27 2HE TYR 27 16.205 3.185 -1.277 646 HH TYR 27 HH TYR 27 18.007 1.908 -0.102 647 H HIS 28 H HIS 28 10.608 1.779 -4.385 648 HA HIS 28 HA HIS 28 13.063 2.358 -5.979 649 HB2 HIS 28 1HB HIS 28 10.475 1.177 -7.048 650 HB3 HIS 28 2HB HIS 28 11.886 1.671 -7.982 651 HD1 HIS 28 1HD HIS 28 14.135 0.192 -7.614 652 HD2 HIS 28 2HD HIS 28 10.482 -1.300 -6.112 653 HE1 HIS 28 1HE HIS 28 14.476 -2.360 -7.228 654 HE2 HIS 28 2HE HIS 28 12.309 -3.272 -6.319 655 H LYS 29 H LYS 29 12.907 4.447 -5.152 656 HA LYS 29 HA LYS 29 10.605 6.169 -5.831 657 HB2 LYS 29 1HB LYS 29 13.355 6.788 -4.653 658 HB3 LYS 29 2HB LYS 29 12.129 7.994 -5.009 659 HG2 LYS 29 1HG LYS 29 11.674 7.725 -2.816 660 HG3 LYS 29 2HG LYS 29 10.555 6.613 -3.534 661 HD2 LYS 29 1HD LYS 29 11.517 5.525 -1.594 662 HD3 LYS 29 2HD LYS 29 12.208 4.730 -2.991 663 HE2 LYS 29 1HE LYS 29 14.045 5.120 -1.486 664 HE3 LYS 29 2HE LYS 29 14.222 6.286 -2.811 665 HZ1 LYS 29 3HZ LYS 29 14.531 7.606 -0.910 666 HZ2 LYS 29 1HZ LYS 29 12.959 7.842 -1.236 667 HZ3 LYS 29 2HZ LYS 29 13.416 6.812 -0.031 668 H GLY 30 H GLY 30 10.850 8.028 -7.189 669 HA2 GLY 30 1HA GLY 30 11.881 9.450 -8.720 670 HA3 GLY 30 2HA GLY 30 13.351 8.493 -8.577 671 H LEU 31 H LEU 31 10.237 7.132 -9.545 672 HA LEU 31 HA LEU 31 11.070 6.993 -12.373 673 HB2 LEU 31 1HB LEU 31 10.623 4.552 -12.424 674 HB3 LEU 31 2HB LEU 31 12.045 5.035 -11.551 675 HG LEU 31 HG LEU 31 11.016 4.614 -9.400 676 HD11 LEU 31 1HD1 LEU 31 8.646 5.168 -9.784 677 HD12 LEU 31 2HD1 LEU 31 8.495 3.793 -10.911 678 HD13 LEU 31 3HD1 LEU 31 8.835 3.531 -9.185 679 HD21 LEU 31 3HD2 LEU 31 12.078 2.749 -10.603 680 HD22 LEU 31 1HD2 LEU 31 10.683 2.168 -9.658 681 HD23 LEU 31 2HD2 LEU 31 10.534 2.361 -11.386 682 H SER 32 H SER 32 9.021 5.376 -13.368 683 HA SER 32 HA SER 32 6.680 7.137 -12.792 684 HB2 SER 32 1HB SER 32 6.566 7.697 -15.022 685 HB3 SER 32 2HB SER 32 8.292 7.757 -14.705 686 HG SER 32 HG SER 32 8.679 6.089 -16.004 687 H LEU 33 H LEU 33 4.797 6.405 -14.304 688 HA LEU 33 HA LEU 33 3.805 3.936 -13.300 689 HB2 LEU 33 1HB LEU 33 2.972 5.665 -15.667 690 HB3 LEU 33 2HB LEU 33 2.023 4.304 -15.087 691 HG LEU 33 HG LEU 33 2.737 6.757 -13.415 692 HD11 LEU 33 1HD1 LEU 33 0.341 7.331 -13.669 693 HD12 LEU 33 2HD1 LEU 33 1.173 7.313 -15.235 694 HD13 LEU 33 3HD1 LEU 33 0.132 5.951 -14.771 695 HD21 LEU 33 3HD2 LEU 33 2.278 4.638 -12.073 696 HD22 LEU 33 1HD2 LEU 33 1.139 5.933 -11.794 697 HD23 LEU 33 2HD2 LEU 33 0.697 4.583 -12.844 698 H SER 34 H SER 34 5.393 4.639 -16.455 699 HA SER 34 HA SER 34 5.036 2.014 -17.505 700 HB2 SER 34 1HB SER 34 7.214 4.064 -18.076 701 HB3 SER 34 2HB SER 34 6.709 2.725 -19.119 702 HG SER 34 HG SER 34 4.616 3.723 -19.198 703 H ASP 35 H ASP 35 7.212 3.220 -15.061 704 HA ASP 35 HA ASP 35 9.132 0.980 -15.345 705 HB2 ASP 35 1HB ASP 35 8.974 3.234 -13.322 706 HB3 ASP 35 2HB ASP 35 10.320 2.117 -13.560 707 H PHE 36 H PHE 36 6.516 2.128 -13.231 708 HA PHE 36 HA PHE 36 6.532 -0.011 -11.310 709 HB2 PHE 36 1HB PHE 36 5.155 1.950 -10.987 710 HB3 PHE 36 2HB PHE 36 4.344 1.714 -12.514 711 HD1 PHE 36 2HD PHE 36 4.926 -0.116 -9.305 712 HD2 PHE 36 1HD PHE 36 2.257 0.660 -12.581 713 HE1 PHE 36 2HE PHE 36 3.227 -1.522 -8.227 714 HE2 PHE 36 1HE PHE 36 0.520 -0.740 -11.505 715 HZ PHE 36 HZ PHE 36 1.012 -1.857 -9.317 716 H GLU 37 H GLU 37 4.969 0.272 -14.546 717 HA GLU 37 HA GLU 37 3.855 -2.331 -14.646 718 HB2 GLU 37 1HB GLU 37 4.798 -0.347 -16.737 719 HB3 GLU 37 2HB GLU 37 4.081 -1.900 -17.183 720 HG2 GLU 37 1HG GLU 37 2.026 -1.418 -16.036 721 HG3 GLU 37 2HG GLU 37 2.716 -0.004 -15.246 722 H VAL 38 H VAL 38 7.212 -1.361 -15.070 723 HA VAL 38 HA VAL 38 8.036 -3.958 -16.165 724 HB VAL 38 HB VAL 38 9.684 -1.758 -14.866 725 HG11 VAL 38 1HG1 VAL 38 10.844 -3.889 -14.583 726 HG12 VAL 38 2HG1 VAL 38 10.551 -4.296 -16.290 727 HG13 VAL 38 3HG1 VAL 38 11.628 -2.941 -15.850 728 HG21 VAL 38 3HG2 VAL 38 9.830 -0.816 -16.909 729 HG22 VAL 38 1HG2 VAL 38 10.113 -2.356 -17.703 730 HG23 VAL 38 2HG2 VAL 38 8.492 -1.809 -17.411 731 H LEU 39 H LEU 39 8.269 -2.418 -12.884 732 HA LEU 39 HA LEU 39 9.331 -4.776 -11.681 733 HB2 LEU 39 1HB LEU 39 9.370 -2.428 -10.770 734 HB3 LEU 39 2HB LEU 39 7.664 -2.587 -10.384 735 HG LEU 39 HG LEU 39 8.302 -4.555 -8.863 736 HD11 LEU 39 1HD1 LEU 39 10.673 -4.667 -8.136 737 HD12 LEU 39 2HD1 LEU 39 10.519 -5.072 -9.849 738 HD13 LEU 39 3HD1 LEU 39 11.112 -3.479 -9.385 739 HD21 LEU 39 3HD2 LEU 39 9.162 -3.081 -7.083 740 HD22 LEU 39 1HD2 LEU 39 9.622 -1.865 -8.316 741 HD23 LEU 39 2HD2 LEU 39 7.920 -2.258 -8.031 742 H TYR 40 H TYR 40 5.910 -3.664 -11.838 743 HA TYR 40 HA TYR 40 4.853 -5.976 -10.493 744 HB2 TYR 40 1HB TYR 40 3.618 -3.887 -10.657 745 HB3 TYR 40 2HB TYR 40 3.588 -4.005 -12.413 746 HD1 TYR 40 1HD TYR 40 2.619 -6.024 -9.369 747 HD2 TYR 40 2HD TYR 40 1.703 -4.951 -13.442 748 HE1 TYR 40 1HE TYR 40 0.565 -7.435 -9.287 749 HE2 TYR 40 2HE TYR 40 -0.335 -6.362 -13.358 750 HH TYR 40 HH TYR 40 -1.817 -7.577 -12.024 751 H GLY 41 H GLY 41 5.528 -5.313 -13.975 752 HA2 GLY 41 1HA GLY 41 4.165 -7.691 -14.883 753 HA3 GLY 41 2HA GLY 41 5.203 -6.629 -15.827 754 H ASN 42 H ASN 42 7.429 -7.081 -13.814 755 HA ASN 42 HA ASN 42 8.349 -9.668 -15.015 756 HB2 ASN 42 1HB ASN 42 9.237 -7.132 -15.343 757 HB3 ASN 42 2HB ASN 42 10.224 -7.567 -13.984 758 HD21 ASN 42 1HD2 ASN 42 10.656 -7.306 -16.476 759 HD22 ASN 42 2HD2 ASN 42 11.432 -8.898 -16.845 760 H THR 43 H THR 43 8.088 -8.007 -11.971 761 HA THR 43 HA THR 43 10.027 -9.878 -10.687 762 HB THR 43 HB THR 43 9.455 -6.995 -9.999 763 HG1 THR 43 1HG THR 43 11.750 -7.306 -11.349 764 HG21 THR 43 3HG2 THR 43 12.040 -8.525 -9.601 765 HG22 THR 43 1HG2 THR 43 11.581 -6.944 -8.944 766 HG23 THR 43 2HG2 THR 43 10.810 -8.381 -8.353 767 H ALA 44 H ALA 44 6.778 -8.912 -10.589 768 HA ALA 44 HA ALA 44 6.302 -8.919 -7.808 769 HB1 ALA 44 3HB ALA 44 4.443 -9.327 -10.151 770 HB2 ALA 44 1HB ALA 44 3.931 -9.007 -8.480 771 HB3 ALA 44 2HB ALA 44 4.868 -7.792 -9.358 772 H ASP 45 H ASP 45 7.754 -10.916 -7.641 773 HA ASP 45 HA ASP 45 6.682 -13.498 -8.255 774 HB2 ASP 45 1HB ASP 45 9.049 -12.644 -8.440 775 HB3 ASP 45 2HB ASP 45 9.165 -12.715 -6.677 776 H GLU 46 H GLU 46 4.828 -13.677 -7.099 777 HA GLU 46 HA GLU 46 3.328 -13.959 -5.417 778 HB2 GLU 46 1HB GLU 46 5.678 -15.080 -3.866 779 HB3 GLU 46 2HB GLU 46 4.056 -14.930 -3.217 780 HG2 GLU 46 1HG GLU 46 4.239 -17.141 -4.028 781 HG3 GLU 46 2HG GLU 46 3.137 -16.263 -5.097 782 H ILE 47 H ILE 47 3.188 -11.750 -5.710 783 HA ILE 47 HA ILE 47 4.381 -9.888 -3.911 784 HB ILE 47 HB ILE 47 3.820 -9.396 -6.171 785 HG12 ILE 47 1HG1 ILE 47 3.925 -7.599 -4.394 786 HG13 ILE 47 2HG1 ILE 47 3.240 -7.208 -5.962 787 HG21 ILE 47 1HG2 ILE 47 1.811 -10.655 -6.596 788 HG22 ILE 47 2HG2 ILE 47 0.884 -9.668 -5.458 789 HG23 ILE 47 3HG2 ILE 47 1.518 -8.955 -6.954 790 HD11 ILE 47 3HD1 ILE 47 0.961 -7.323 -5.060 791 HD12 ILE 47 1HD1 ILE 47 1.588 -7.718 -3.450 792 HD13 ILE 47 2HD1 ILE 47 1.958 -6.157 -4.188 793 H ILE 48 H ILE 48 3.849 -9.086 -2.130 794 HA ILE 48 HA ILE 48 1.537 -10.108 -0.592 795 HB ILE 48 HB ILE 48 4.312 -9.249 0.327 796 HG12 ILE 48 1HG1 ILE 48 4.637 -11.263 -0.897 797 HG13 ILE 48 2HG1 ILE 48 4.785 -11.612 0.808 798 HG21 ILE 48 1HG2 ILE 48 2.690 -8.914 2.093 799 HG22 ILE 48 2HG2 ILE 48 2.043 -10.548 1.863 800 HG23 ILE 48 3HG2 ILE 48 3.692 -10.311 2.479 801 HD11 ILE 48 3HD1 ILE 48 2.268 -12.212 -0.803 802 HD12 ILE 48 1HD1 ILE 48 3.555 -13.360 -0.506 803 HD13 ILE 48 2HD1 ILE 48 2.629 -12.723 0.852 804 H LYS 49 H LYS 49 3.693 -7.310 -1.175 805 HA LYS 49 HA LYS 49 1.358 -5.557 -0.782 806 HB2 LYS 49 1HB LYS 49 4.037 -4.901 0.497 807 HB3 LYS 49 2HB LYS 49 2.598 -3.897 0.492 808 HG2 LYS 49 1HG LYS 49 1.415 -5.666 1.834 809 HG3 LYS 49 2HG LYS 49 2.952 -6.547 1.945 810 HD2 LYS 49 1HD LYS 49 4.001 -4.454 2.906 811 HD3 LYS 49 2HD LYS 49 2.387 -3.727 2.975 812 HE2 LYS 49 1HE LYS 49 3.263 -6.306 4.366 813 HE3 LYS 49 2HE LYS 49 3.157 -4.710 5.146 814 HZ1 LYS 49 3HZ LYS 49 0.708 -5.534 3.820 815 HZ2 LYS 49 1HZ LYS 49 1.118 -6.437 5.145 816 HZ3 LYS 49 2HZ LYS 49 0.893 -4.807 5.181 817 H LEU 50 H LEU 50 1.463 -3.670 -1.940 818 HA LEU 50 HA LEU 50 4.031 -2.691 -2.710 819 HB2 LEU 50 1HB LEU 50 3.695 -2.251 -5.065 820 HB3 LEU 50 2HB LEU 50 3.514 -3.964 -4.736 821 HG LEU 50 HG LEU 50 0.974 -3.479 -4.647 822 HD11 LEU 50 1HD1 LEU 50 1.343 -0.889 -4.957 823 HD12 LEU 50 2HD1 LEU 50 1.726 -1.281 -6.601 824 HD13 LEU 50 3HD1 LEU 50 0.143 -1.670 -5.954 825 HD21 LEU 50 3HD2 LEU 50 2.078 -4.887 -6.324 826 HD22 LEU 50 1HD2 LEU 50 0.809 -3.903 -7.073 827 HD23 LEU 50 2HD2 LEU 50 2.522 -3.449 -7.257 828 H ARG 51 H ARG 51 4.048 -0.508 -3.238 829 HA ARG 51 HA ARG 51 1.558 1.049 -2.805 830 HB2 ARG 51 1HB ARG 51 2.789 0.819 -0.592 831 HB3 ARG 51 2HB ARG 51 4.131 1.674 -1.358 832 HG2 ARG 51 1HG ARG 51 2.430 3.534 -1.950 833 HG3 ARG 51 2HG ARG 51 1.303 2.673 -0.896 834 HD2 ARG 51 1HD ARG 51 2.397 4.427 0.343 835 HD3 ARG 51 2HD ARG 51 3.008 2.879 0.946 836 HE ARG 51 HE ARG 51 4.800 3.535 -1.053 837 HH11 ARG 51 2HH2 ARG 51 3.680 5.375 1.686 838 HH12 ARG 51 1HH2 ARG 51 5.162 6.270 1.863 839 HH21 ARG 51 1HH1 ARG 51 6.631 4.787 -0.915 840 HH22 ARG 51 2HH1 ARG 51 6.858 5.863 0.448 841 H LEU 52 H LEU 52 1.387 2.005 -4.658 842 HA LEU 52 HA LEU 52 3.712 3.286 -6.003 843 HB2 LEU 52 1HB LEU 52 2.449 1.828 -7.464 844 HB3 LEU 52 2HB LEU 52 0.943 2.543 -6.902 845 HG LEU 52 HG LEU 52 1.698 4.751 -7.963 846 HD11 LEU 52 1HD1 LEU 52 3.692 2.927 -9.347 847 HD12 LEU 52 2HD1 LEU 52 3.372 4.630 -9.740 848 HD13 LEU 52 3HD1 LEU 52 4.119 4.207 -8.186 849 HD21 LEU 52 3HD2 LEU 52 0.417 4.088 -9.743 850 HD22 LEU 52 1HD2 LEU 52 1.571 2.919 -10.279 851 HD23 LEU 52 2HD2 LEU 52 0.404 2.485 -9.046 852 H ASP 53 H ASP 53 3.950 5.386 -5.520 853 HA ASP 53 HA ASP 53 1.613 7.003 -4.555 854 HB2 ASP 53 1HB ASP 53 2.951 5.636 -2.803 855 HB3 ASP 53 2HB ASP 53 4.252 6.775 -3.068 856 H LYS 54 H LYS 54 1.536 8.780 -5.877 857 HA LYS 54 HA LYS 54 3.853 9.737 -7.328 858 HB2 LYS 54 1HB LYS 54 1.383 10.000 -7.910 859 HB3 LYS 54 2HB LYS 54 1.348 11.254 -6.668 860 HG2 LYS 54 1HG LYS 54 3.150 12.492 -7.893 861 HG3 LYS 54 2HG LYS 54 3.170 11.197 -9.110 862 HD2 LYS 54 1HD LYS 54 0.723 11.613 -9.526 863 HD3 LYS 54 2HD LYS 54 0.801 13.005 -8.438 864 HE2 LYS 54 1HE LYS 54 2.798 12.721 -10.693 865 HE3 LYS 54 2HE LYS 54 1.169 13.244 -11.070 866 HZ1 LYS 54 3HZ LYS 54 1.477 15.024 -9.383 867 HZ2 LYS 54 1HZ LYS 54 3.040 14.582 -9.183 868 HZ3 LYS 54 2HZ LYS 54 2.532 15.168 -10.639 869 H VAL 55 H VAL 55 5.507 10.704 -6.667 870 HA VAL 55 HA VAL 55 5.752 11.795 -3.991 871 HB VAL 55 HB VAL 55 7.732 11.928 -6.288 872 HG11 VAL 55 1HG1 VAL 55 9.414 11.881 -4.446 873 HG12 VAL 55 2HG1 VAL 55 8.462 13.342 -4.510 874 HG13 VAL 55 3HG1 VAL 55 8.078 12.097 -3.281 875 HG21 VAL 55 3HG2 VAL 55 8.707 9.843 -4.887 876 HG22 VAL 55 1HG2 VAL 55 7.003 9.614 -4.532 877 HG23 VAL 55 2HG2 VAL 55 7.579 9.661 -6.193 878 H LEU 56 H LEU 56 6.406 13.773 -3.558 879 HA LEU 56 HA LEU 56 5.974 16.072 -5.349 880 HB2 LEU 56 1HB LEU 56 3.790 15.400 -4.231 881 HB3 LEU 56 2HB LEU 56 4.575 15.616 -2.672 882 HG LEU 56 HG LEU 56 4.973 18.046 -3.296 883 HD11 LEU 56 1HD1 LEU 56 4.691 17.751 -5.807 884 HD12 LEU 56 2HD1 LEU 56 2.990 17.419 -5.520 885 HD13 LEU 56 3HD1 LEU 56 3.665 19.001 -5.126 886 HD21 LEU 56 3HD2 LEU 56 2.097 17.039 -3.310 887 HD22 LEU 56 1HD2 LEU 56 3.086 17.323 -1.865 888 HD23 LEU 56 2HD2 LEU 56 2.620 18.689 -2.895 Start of MODEL 6 1 H1 MET 1 1H MET 1 -17.739 -8.384 -4.169 2 H2 MET 1 2H MET 1 -16.852 -7.117 -3.568 3 H3 MET 1 3H MET 1 -18.503 -7.003 -3.646 4 HA MET 1 HA MET 1 -18.653 -8.818 -2.054 5 HB2 MET 1 1HB MET 1 -15.681 -8.681 -2.550 6 HB3 MET 1 2HB MET 1 -16.148 -8.760 -0.826 7 HG2 MET 1 1HG MET 1 -17.192 -10.572 -2.963 8 HG3 MET 1 2HG MET 1 -15.885 -10.928 -1.792 9 HE1 MET 1 3HE MET 1 -17.332 -12.603 -1.973 10 HE2 MET 1 1HE MET 1 -16.922 -12.671 -0.229 11 HE3 MET 1 2HE MET 1 -18.642 -12.948 -0.797 12 H VAL 2 H VAL 2 -19.293 -8.169 -0.077 13 HA VAL 2 HA VAL 2 -19.201 -5.398 0.479 14 HB VAL 2 HB VAL 2 -20.970 -6.951 1.177 15 HG11 VAL 2 1HG1 VAL 2 -19.113 -7.823 3.427 16 HG12 VAL 2 2HG1 VAL 2 -20.800 -8.302 3.160 17 HG13 VAL 2 3HG1 VAL 2 -19.537 -8.832 2.030 18 HG21 VAL 2 3HG2 VAL 2 -20.727 -4.724 2.202 19 HG22 VAL 2 1HG2 VAL 2 -21.403 -5.913 3.332 20 HG23 VAL 2 2HG2 VAL 2 -19.706 -5.422 3.483 21 H GLN 3 H GLN 3 -17.932 -4.137 1.633 22 HA GLN 3 HA GLN 3 -15.354 -5.219 2.526 23 HB2 GLN 3 1HB GLN 3 -16.336 -2.383 2.008 24 HB3 GLN 3 2HB GLN 3 -14.684 -2.893 2.391 25 HG2 GLN 3 1HG GLN 3 -14.912 -4.450 0.300 26 HG3 GLN 3 2HG GLN 3 -16.294 -3.441 -0.125 27 HE21 GLN 3 1HE2 GLN 3 -15.816 -0.977 -0.373 28 HE22 GLN 3 2HE2 GLN 3 -14.175 -0.637 -0.978 29 H ASN 4 H ASN 4 -16.358 -6.166 4.405 30 HA ASN 4 HA ASN 4 -17.003 -4.186 6.579 31 HB2 ASN 4 1HB ASN 4 -18.948 -5.378 5.726 32 HB3 ASN 4 2HB ASN 4 -18.131 -6.936 5.943 33 HD21 ASN 4 1HD2 ASN 4 -18.945 -7.980 7.693 34 HD22 ASN 4 2HD2 ASN 4 -19.389 -7.140 9.190 35 H ASP 5 H ASP 5 -15.621 -7.509 6.001 36 HA ASP 5 HA ASP 5 -14.519 -7.422 8.729 37 HB2 ASP 5 1HB ASP 5 -14.898 -9.776 8.622 38 HB3 ASP 5 2HB ASP 5 -16.368 -8.984 8.050 39 H PHE 6 H PHE 6 -13.331 -6.771 5.851 40 HA PHE 6 HA PHE 6 -11.624 -7.311 4.429 41 HB2 PHE 6 1HB PHE 6 -10.236 -7.861 7.038 42 HB3 PHE 6 2HB PHE 6 -9.492 -8.304 5.510 43 HD1 PHE 6 2HD PHE 6 -10.932 -5.382 7.362 44 HD2 PHE 6 1HD PHE 6 -8.380 -6.759 4.173 45 HE1 PHE 6 2HE PHE 6 -10.040 -3.080 7.084 46 HE2 PHE 6 1HE PHE 6 -7.470 -4.472 3.914 47 HZ PHE 6 HZ PHE 6 -8.294 -2.627 5.354 48 H VAL 7 H VAL 7 -13.102 -8.690 3.572 49 HA VAL 7 HA VAL 7 -13.235 -11.473 4.040 50 HB VAL 7 HB VAL 7 -14.863 -10.061 2.832 51 HG11 VAL 7 1HG1 VAL 7 -14.556 -9.512 0.483 52 HG12 VAL 7 2HG1 VAL 7 -13.342 -8.687 1.463 53 HG13 VAL 7 3HG1 VAL 7 -12.895 -10.128 0.521 54 HG21 VAL 7 3HG2 VAL 7 -13.961 -12.342 1.049 55 HG22 VAL 7 1HG2 VAL 7 -14.837 -12.547 2.593 56 HG23 VAL 7 2HG2 VAL 7 -15.578 -11.655 1.254 57 H ASP 8 H ASP 8 -12.494 -13.131 2.347 58 HA ASP 8 HA ASP 8 -9.637 -13.082 2.129 59 HB2 ASP 8 1HB ASP 8 -11.619 -14.896 0.711 60 HB3 ASP 8 2HB ASP 8 -9.908 -15.227 1.030 61 H SER 9 H SER 9 -8.475 -13.434 0.223 62 HA SER 9 HA SER 9 -7.508 -12.797 -1.688 63 HB2 SER 9 1HB SER 9 -10.165 -11.877 -2.812 64 HB3 SER 9 2HB SER 9 -8.638 -12.150 -3.667 65 HG SER 9 HG SER 9 -10.300 -14.043 -2.484 66 H TYR 10 H TYR 10 -7.081 -10.745 -3.078 67 HA TYR 10 HA TYR 10 -5.687 -9.295 -1.122 68 HB2 TYR 10 1HB TYR 10 -6.174 -8.923 -4.104 69 HB3 TYR 10 2HB TYR 10 -5.217 -7.784 -3.198 70 HD1 TYR 10 2HD TYR 10 -5.411 -11.486 -3.960 71 HD2 TYR 10 1HD TYR 10 -3.014 -8.119 -2.786 72 HE1 TYR 10 2HE TYR 10 -3.358 -12.893 -4.116 73 HE2 TYR 10 1HE TYR 10 -0.953 -9.499 -2.994 74 HH TYR 10 HH TYR 10 -0.093 -11.647 -3.267 75 H ASP 11 H ASP 11 -5.598 -7.137 -0.618 76 HA ASP 11 HA ASP 11 -8.078 -5.495 -0.888 77 HB2 ASP 11 1HB ASP 11 -7.545 -6.014 1.420 78 HB3 ASP 11 2HB ASP 11 -5.868 -5.545 1.166 79 H VAL 12 H VAL 12 -7.963 -3.662 -1.980 80 HA VAL 12 HA VAL 12 -5.342 -2.425 -2.624 81 HB VAL 12 HB VAL 12 -7.767 -2.646 -4.449 82 HG11 VAL 12 1HG1 VAL 12 -6.222 -1.586 -6.094 83 HG12 VAL 12 2HG1 VAL 12 -6.686 -0.500 -4.781 84 HG13 VAL 12 3HG1 VAL 12 -5.076 -1.269 -4.786 85 HG21 VAL 12 3HG2 VAL 12 -4.968 -3.800 -4.687 86 HG22 VAL 12 1HG2 VAL 12 -6.406 -4.750 -4.317 87 HG23 VAL 12 2HG2 VAL 12 -6.278 -3.961 -5.893 88 H THR 13 H THR 13 -5.284 -0.272 -2.331 89 HA THR 13 HA THR 13 -7.768 1.221 -1.577 90 HB THR 13 HB THR 13 -5.140 1.172 -0.024 91 HG1 THR 13 1HG THR 13 -7.057 -0.510 0.189 92 HG21 THR 13 3HG2 THR 13 -6.447 2.510 1.644 93 HG22 THR 13 1HG2 THR 13 -6.122 3.385 0.140 94 HG23 THR 13 2HG2 THR 13 -7.738 2.691 0.442 95 H MET 14 H MET 14 -7.842 3.116 -2.768 96 HA MET 14 HA MET 14 -5.276 4.003 -4.027 97 HB2 MET 14 1HB MET 14 -6.432 2.223 -5.382 98 HB3 MET 14 2HB MET 14 -7.787 3.348 -5.605 99 HG2 MET 14 1HG MET 14 -6.334 4.948 -6.712 100 HG3 MET 14 2HG MET 14 -4.911 4.003 -6.339 101 HE1 MET 14 3HE MET 14 -5.922 0.938 -7.179 102 HE2 MET 14 1HE MET 14 -5.181 0.968 -8.793 103 HE3 MET 14 2HE MET 14 -4.330 1.688 -7.400 104 H LEU 15 H LEU 15 -5.104 5.991 -4.716 105 HA LEU 15 HA LEU 15 -7.316 7.913 -4.292 106 HB2 LEU 15 1HB LEU 15 -5.539 8.062 -2.558 107 HB3 LEU 15 2HB LEU 15 -4.341 8.189 -3.843 108 HG LEU 15 HG LEU 15 -5.436 10.332 -4.601 109 HD11 LEU 15 1HD1 LEU 15 -7.666 10.078 -3.571 110 HD12 LEU 15 2HD1 LEU 15 -6.915 10.085 -1.967 111 HD13 LEU 15 3HD1 LEU 15 -6.858 11.516 -2.994 112 HD21 LEU 15 3HD2 LEU 15 -4.323 10.057 -1.794 113 HD22 LEU 15 1HD2 LEU 15 -3.467 10.498 -3.275 114 HD23 LEU 15 2HD2 LEU 15 -4.604 11.624 -2.555 115 H LEU 16 H LEU 16 -7.888 8.875 -6.038 116 HA LEU 16 HA LEU 16 -6.110 9.122 -8.434 117 HB2 LEU 16 1HB LEU 16 -8.972 8.153 -8.120 118 HB3 LEU 16 2HB LEU 16 -8.311 8.622 -9.672 119 HG LEU 16 HG LEU 16 -6.778 6.550 -8.098 120 HD11 LEU 16 1HD1 LEU 16 -8.990 5.699 -7.841 121 HD12 LEU 16 2HD1 LEU 16 -9.401 6.099 -9.521 122 HD13 LEU 16 3HD1 LEU 16 -8.242 4.792 -9.170 123 HD21 LEU 16 3HD2 LEU 16 -5.882 7.310 -10.232 124 HD22 LEU 16 1HD2 LEU 16 -6.417 5.622 -10.350 125 HD23 LEU 16 2HD2 LEU 16 -7.410 6.906 -11.048 126 H GLN 17 H GLN 17 -7.116 10.712 -9.993 127 HA GLN 17 HA GLN 17 -8.502 12.942 -8.573 128 HB2 GLN 17 1HB GLN 17 -6.087 13.290 -8.465 129 HB3 GLN 17 2HB GLN 17 -5.979 13.200 -10.232 130 HG2 GLN 17 1HG GLN 17 -7.409 15.210 -10.426 131 HG3 GLN 17 2HG GLN 17 -7.648 15.236 -8.671 132 HE21 GLN 17 1HE2 GLN 17 -5.166 15.551 -11.279 133 HE22 GLN 17 2HE2 GLN 17 -4.133 16.573 -10.230 134 H ASP 18 H ASP 18 -10.260 13.349 -9.514 135 HA ASP 18 HA ASP 18 -11.140 12.352 -11.981 136 HB2 ASP 18 1HB ASP 18 -12.348 13.174 -9.832 137 HB3 ASP 18 2HB ASP 18 -12.232 14.789 -10.528 138 H ASP 19 H ASP 19 -12.078 13.728 -13.751 139 HA ASP 19 HA ASP 19 -10.102 15.335 -15.123 140 HB2 ASP 19 1HB ASP 19 -11.808 13.882 -16.189 141 HB3 ASP 19 2HB ASP 19 -13.089 14.928 -15.557 142 H ASP 20 H ASP 20 -12.826 16.026 -12.989 143 HA ASP 20 HA ASP 20 -12.761 18.925 -13.352 144 HB2 ASP 20 1HB ASP 20 -14.691 17.480 -12.585 145 HB3 ASP 20 2HB ASP 20 -13.827 17.236 -11.059 146 H GLY 21 H GLY 21 -10.468 16.908 -12.054 147 HA2 GLY 21 1HA GLY 21 -8.502 17.433 -10.952 148 HA3 GLY 21 2HA GLY 21 -9.132 19.049 -10.578 149 H LYS 22 H LYS 22 -11.321 16.669 -9.663 150 HA LYS 22 HA LYS 22 -10.839 17.186 -6.821 151 HB2 LYS 22 1HB LYS 22 -13.075 17.295 -7.865 152 HB3 LYS 22 2HB LYS 22 -12.997 15.556 -8.225 153 HG2 LYS 22 1HG LYS 22 -12.796 15.074 -5.794 154 HG3 LYS 22 2HG LYS 22 -12.726 16.805 -5.444 155 HD2 LYS 22 1HD LYS 22 -14.951 16.545 -5.074 156 HD3 LYS 22 2HD LYS 22 -15.062 16.775 -6.841 157 HE2 LYS 22 1HE LYS 22 -14.823 14.321 -7.104 158 HE3 LYS 22 2HE LYS 22 -14.792 14.193 -5.325 159 HZ1 LYS 22 3HZ LYS 22 -17.043 13.900 -5.820 160 HZ2 LYS 22 1HZ LYS 22 -16.980 15.529 -5.506 161 HZ3 LYS 22 2HZ LYS 22 -17.035 15.008 -7.064 162 H GLN 23 H GLN 23 -9.557 15.953 -5.616 163 HA GLN 23 HA GLN 23 -8.737 13.295 -6.475 164 HB2 GLN 23 1HB GLN 23 -8.208 14.946 -3.986 165 HB3 GLN 23 2HB GLN 23 -7.664 13.263 -4.172 166 HG2 GLN 23 1HG GLN 23 -6.472 13.834 -6.241 167 HG3 GLN 23 2HG GLN 23 -6.989 15.522 -6.085 168 HE21 GLN 23 1HE2 GLN 23 -4.699 16.015 -6.155 169 HE22 GLN 23 2HE2 GLN 23 -3.790 15.824 -4.619 170 H TYR 24 H TYR 24 -9.422 11.343 -5.778 171 HA TYR 24 HA TYR 24 -11.387 11.230 -3.567 172 HB2 TYR 24 1HB TYR 24 -12.969 9.943 -4.811 173 HB3 TYR 24 2HB TYR 24 -12.720 11.493 -5.589 174 HD1 TYR 24 2HD TYR 24 -11.471 11.637 -7.756 175 HD2 TYR 24 1HD TYR 24 -12.470 7.858 -5.922 176 HE1 TYR 24 2HE TYR 24 -11.218 10.493 -9.959 177 HE2 TYR 24 1HE TYR 24 -12.213 6.726 -8.111 178 HH TYR 24 HH TYR 24 -10.936 8.342 -11.030 179 H TYR 25 H TYR 25 -11.378 9.505 -2.418 180 HA TYR 25 HA TYR 25 -9.216 7.509 -2.807 181 HB2 TYR 25 1HB TYR 25 -8.801 9.262 -1.129 182 HB3 TYR 25 2HB TYR 25 -10.333 8.913 -0.360 183 HD1 TYR 25 2HD TYR 25 -7.095 7.226 -1.284 184 HD2 TYR 25 1HD TYR 25 -10.411 7.476 1.445 185 HE1 TYR 25 2HE TYR 25 -5.862 5.789 0.354 186 HE2 TYR 25 1HE TYR 25 -9.219 6.015 3.052 187 HH TYR 25 HH TYR 25 -7.255 4.960 3.513 188 H GLU 26 H GLU 26 -9.768 5.420 -2.709 189 HA GLU 26 HA GLU 26 -12.244 4.583 -1.317 190 HB2 GLU 26 1HB GLU 26 -11.639 3.981 -4.240 191 HB3 GLU 26 2HB GLU 26 -12.851 3.139 -3.267 192 HG2 GLU 26 1HG GLU 26 -14.007 5.339 -2.879 193 HG3 GLU 26 2HG GLU 26 -12.886 6.078 -4.038 194 H TYR 27 H TYR 27 -12.355 2.521 -0.750 195 HA TYR 27 HA TYR 27 -9.934 0.807 -0.805 196 HB2 TYR 27 1HB TYR 27 -12.572 0.545 0.684 197 HB3 TYR 27 2HB TYR 27 -11.182 -0.519 0.860 198 HD1 TYR 27 2HD TYR 27 -9.118 0.291 2.018 199 HD2 TYR 27 1HD TYR 27 -12.689 2.679 1.707 200 HE1 TYR 27 2HE TYR 27 -8.303 1.745 3.859 201 HE2 TYR 27 1HE TYR 27 -11.861 4.167 3.532 202 HH TYR 27 HH TYR 27 -8.759 3.531 5.169 203 H HIS 28 H HIS 28 -9.998 -1.114 -1.821 204 HA HIS 28 HA HIS 28 -12.465 -2.184 -3.067 205 HB2 HIS 28 1HB HIS 28 -9.885 -1.537 -4.567 206 HB3 HIS 28 2HB HIS 28 -11.251 -2.436 -5.219 207 HD1 HIS 28 1HD HIS 28 -13.613 -0.937 -5.388 208 HD2 HIS 28 2HD HIS 28 -9.923 1.042 -4.951 209 HE1 HIS 28 1HE HIS 28 -13.963 1.471 -6.294 210 HE2 HIS 28 2HE HIS 28 -11.721 2.656 -6.053 211 H LYS 29 H LYS 29 -12.323 -3.876 -1.609 212 HA LYS 29 HA LYS 29 -9.907 -5.646 -1.864 213 HB2 LYS 29 1HB LYS 29 -9.959 -6.113 0.410 214 HB3 LYS 29 2HB LYS 29 -10.229 -4.371 0.282 215 HG2 LYS 29 1HG LYS 29 -12.696 -4.803 0.572 216 HG3 LYS 29 2HG LYS 29 -12.337 -6.494 0.801 217 HD2 LYS 29 1HD LYS 29 -12.544 -5.777 2.950 218 HD3 LYS 29 2HD LYS 29 -10.789 -5.679 2.763 219 HE2 LYS 29 1HE LYS 29 -12.300 -3.246 1.963 220 HE3 LYS 29 2HE LYS 29 -12.545 -3.674 3.655 221 HZ1 LYS 29 3HZ LYS 29 -10.078 -3.578 3.839 222 HZ2 LYS 29 1HZ LYS 29 -9.933 -3.206 2.278 223 HZ3 LYS 29 2HZ LYS 29 -10.691 -2.156 3.323 224 H GLY 30 H GLY 30 -10.308 -7.873 -1.101 225 HA2 GLY 30 1HA GLY 30 -11.370 -9.901 -1.309 226 HA3 GLY 30 2HA GLY 30 -12.915 -9.087 -1.637 227 H LEU 31 H LEU 31 -9.830 -8.725 -3.377 228 HA LEU 31 HA LEU 31 -10.963 -9.942 -5.818 229 HB2 LEU 31 1HB LEU 31 -10.530 -7.903 -7.107 230 HB3 LEU 31 2HB LEU 31 -11.799 -7.752 -5.922 231 HG LEU 31 HG LEU 31 -10.400 -6.405 -4.453 232 HD11 LEU 31 1HD1 LEU 31 -8.280 -5.474 -5.200 233 HD12 LEU 31 2HD1 LEU 31 -8.129 -7.204 -4.934 234 HD13 LEU 31 3HD1 LEU 31 -8.250 -6.575 -6.599 235 HD21 LEU 31 3HD2 LEU 31 -11.289 -5.710 -7.127 236 HD22 LEU 31 1HD2 LEU 31 -11.320 -4.746 -5.671 237 HD23 LEU 31 2HD2 LEU 31 -9.913 -4.731 -6.715 238 H SER 32 H SER 32 -8.945 -9.136 -7.627 239 HA SER 32 HA SER 32 -6.529 -10.340 -6.337 240 HB2 SER 32 1HB SER 32 -6.446 -12.028 -7.919 241 HB3 SER 32 2HB SER 32 -8.141 -11.976 -7.448 242 HG SER 32 HG SER 32 -8.668 -10.773 -9.345 243 H LEU 33 H LEU 33 -4.777 -10.593 -8.183 244 HA LEU 33 HA LEU 33 -3.859 -7.908 -8.535 245 HB2 LEU 33 1HB LEU 33 -2.799 -10.513 -9.720 246 HB3 LEU 33 2HB LEU 33 -1.957 -8.985 -9.688 247 HG LEU 33 HG LEU 33 -0.965 -10.128 -7.989 248 HD11 LEU 33 1HD1 LEU 33 -1.698 -7.892 -7.225 249 HD12 LEU 33 2HD1 LEU 33 -3.120 -8.641 -6.449 250 HD13 LEU 33 3HD1 LEU 33 -1.497 -9.056 -5.898 251 HD21 LEU 33 3HD2 LEU 33 -2.613 -12.016 -7.903 252 HD22 LEU 33 1HD2 LEU 33 -1.904 -11.535 -6.359 253 HD23 LEU 33 2HD2 LEU 33 -3.563 -11.056 -6.732 254 H SER 34 H SER 34 -5.544 -10.096 -10.748 255 HA SER 34 HA SER 34 -5.183 -8.451 -13.091 256 HB2 SER 34 1HB SER 34 -7.208 -10.597 -12.336 257 HB3 SER 34 2HB SER 34 -7.004 -9.885 -13.959 258 HG SER 34 HG SER 34 -5.661 -11.871 -13.367 259 H ASP 35 H ASP 35 -7.434 -8.443 -10.373 260 HA ASP 35 HA ASP 35 -9.347 -6.605 -11.629 261 HB2 ASP 35 1HB ASP 35 -8.963 -7.456 -8.737 262 HB3 ASP 35 2HB ASP 35 -10.354 -6.587 -9.383 263 H PHE 36 H PHE 36 -6.510 -6.430 -9.502 264 HA PHE 36 HA PHE 36 -6.555 -3.587 -9.062 265 HB2 PHE 36 1HB PHE 36 -5.015 -4.989 -7.848 266 HB3 PHE 36 2HB PHE 36 -4.270 -5.570 -9.325 267 HD1 PHE 36 1HD PHE 36 -4.535 -2.751 -7.010 268 HD2 PHE 36 2HD PHE 36 -2.741 -4.132 -10.663 269 HE1 PHE 36 1HE PHE 36 -2.947 -0.869 -6.927 270 HE2 PHE 36 2HE PHE 36 -1.145 -2.247 -10.602 271 HZ PHE 36 HZ PHE 36 -1.215 -0.615 -8.719 272 H GLU 37 H GLU 37 -5.205 -5.528 -11.845 273 HA GLU 37 HA GLU 37 -4.256 -3.264 -13.269 274 HB2 GLU 37 1HB GLU 37 -5.174 -6.028 -14.150 275 HB3 GLU 37 2HB GLU 37 -4.532 -4.817 -15.258 276 HG2 GLU 37 1HG GLU 37 -2.471 -4.645 -13.854 277 HG3 GLU 37 2HG GLU 37 -3.078 -5.955 -12.843 278 H VAL 38 H VAL 38 -7.533 -4.550 -13.005 279 HA VAL 38 HA VAL 38 -8.640 -2.835 -15.083 280 HB VAL 38 HB VAL 38 -9.992 -4.114 -12.672 281 HG11 VAL 38 1HG1 VAL 38 -11.322 -2.193 -13.437 282 HG12 VAL 38 2HG1 VAL 38 -11.155 -2.729 -15.121 283 HG13 VAL 38 3HG1 VAL 38 -12.089 -3.698 -13.955 284 HG21 VAL 38 3HG2 VAL 38 -10.645 -5.855 -14.132 285 HG22 VAL 38 1HG2 VAL 38 -10.250 -4.919 -15.581 286 HG23 VAL 38 2HG2 VAL 38 -8.970 -5.595 -14.590 287 H LEU 39 H LEU 39 -8.484 -2.500 -11.478 288 HA LEU 39 HA LEU 39 -9.641 0.101 -11.471 289 HB2 LEU 39 1HB LEU 39 -9.505 -1.347 -9.516 290 HB3 LEU 39 2HB LEU 39 -7.742 -1.282 -9.545 291 HG LEU 39 HG LEU 39 -7.818 1.143 -9.021 292 HD11 LEU 39 1HD1 LEU 39 -9.919 2.155 -8.200 293 HD12 LEU 39 2HD1 LEU 39 -10.038 1.750 -9.913 294 HD13 LEU 39 3HD1 LEU 39 -10.820 0.702 -8.710 295 HD21 LEU 39 3HD2 LEU 39 -7.672 -0.630 -7.302 296 HD22 LEU 39 1HD2 LEU 39 -8.453 0.839 -6.691 297 HD23 LEU 39 2HD2 LEU 39 -9.430 -0.603 -7.119 298 H TYR 40 H TYR 40 -6.226 -0.871 -11.642 299 HA TYR 40 HA TYR 40 -5.094 1.772 -11.695 300 HB2 TYR 40 1HB TYR 40 -3.810 -0.154 -11.038 301 HB3 TYR 40 2HB TYR 40 -4.171 -1.001 -12.541 302 HD1 TYR 40 1HD TYR 40 -2.475 2.049 -11.212 303 HD2 TYR 40 2HD TYR 40 -2.749 -0.844 -14.396 304 HE1 TYR 40 1HE TYR 40 -0.484 3.027 -12.280 305 HE2 TYR 40 2HE TYR 40 -0.801 0.104 -15.449 306 HH TYR 40 HH TYR 40 0.809 1.770 -15.410 307 H GLY 41 H GLY 41 -5.968 -0.528 -14.357 308 HA2 GLY 41 1HA GLY 41 -4.865 1.290 -16.343 309 HA3 GLY 41 2HA GLY 41 -5.568 -0.310 -16.596 310 H ASN 42 H ASN 42 -8.182 0.358 -15.349 311 HA ASN 42 HA ASN 42 -9.357 1.443 -17.798 312 HB2 ASN 42 1HB ASN 42 -10.184 -0.545 -16.370 313 HB3 ASN 42 2HB ASN 42 -10.727 0.650 -15.185 314 HD21 ASN 42 1HD2 ASN 42 -11.044 -0.290 -18.646 315 HD22 ASN 42 2HD2 ASN 42 -12.692 0.358 -18.736 316 H THR 43 H THR 43 -8.875 2.532 -14.499 317 HA THR 43 HA THR 43 -11.005 4.373 -14.507 318 HB THR 43 HB THR 43 -8.649 4.295 -12.591 319 HG1 THR 43 1HG THR 43 -9.268 2.307 -12.545 320 HG21 THR 43 3HG2 THR 43 -11.587 5.034 -12.258 321 HG22 THR 43 1HG2 THR 43 -10.451 4.791 -10.926 322 HG23 THR 43 2HG2 THR 43 -10.188 6.124 -12.074 323 H ALA 44 H ALA 44 -7.680 4.819 -15.332 324 HA ALA 44 HA ALA 44 -6.442 6.459 -16.216 325 HB1 ALA 44 3HB ALA 44 -7.771 7.892 -17.886 326 HB2 ALA 44 1HB ALA 44 -7.848 6.145 -18.059 327 HB3 ALA 44 2HB ALA 44 -9.187 7.025 -17.331 328 H ASP 45 H ASP 45 -8.196 7.423 -13.657 329 HA ASP 45 HA ASP 45 -7.783 10.302 -13.866 330 HB2 ASP 45 1HB ASP 45 -8.974 8.419 -11.843 331 HB3 ASP 45 2HB ASP 45 -8.760 10.128 -11.479 332 H GLU 46 H GLU 46 -5.527 9.525 -14.294 333 HA GLU 46 HA GLU 46 -3.421 10.247 -14.057 334 HB2 GLU 46 1HB GLU 46 -4.501 11.719 -11.624 335 HB3 GLU 46 2HB GLU 46 -2.952 12.012 -12.412 336 HG2 GLU 46 1HG GLU 46 -4.159 12.485 -14.555 337 HG3 GLU 46 2HG GLU 46 -5.698 12.338 -13.695 338 H ILE 47 H ILE 47 -4.529 8.713 -11.161 339 HA ILE 47 HA ILE 47 -3.534 7.469 -9.540 340 HB ILE 47 HB ILE 47 -1.248 7.148 -11.480 341 HG12 ILE 47 1HG1 ILE 47 -3.504 6.187 -12.165 342 HG13 ILE 47 2HG1 ILE 47 -2.157 5.064 -12.088 343 HG21 ILE 47 1HG2 ILE 47 -1.753 5.851 -8.782 344 HG22 ILE 47 2HG2 ILE 47 -0.686 5.151 -10.019 345 HG23 ILE 47 3HG2 ILE 47 -0.328 6.735 -9.320 346 HD11 ILE 47 3HD1 ILE 47 -4.229 5.415 -9.887 347 HD12 ILE 47 1HD1 ILE 47 -4.201 4.093 -11.077 348 HD13 ILE 47 2HD1 ILE 47 -2.928 4.243 -9.886 349 H ILE 48 H ILE 48 -3.093 8.326 -7.777 350 HA ILE 48 HA ILE 48 -1.025 10.467 -7.559 351 HB ILE 48 HB ILE 48 -3.599 10.280 -5.973 352 HG12 ILE 48 1HG1 ILE 48 -4.293 10.775 -8.222 353 HG13 ILE 48 2HG1 ILE 48 -4.442 12.199 -7.212 354 HG21 ILE 48 1HG2 ILE 48 -1.485 12.460 -6.182 355 HG22 ILE 48 2HG2 ILE 48 -3.032 12.611 -5.320 356 HG23 ILE 48 3HG2 ILE 48 -1.825 11.440 -4.780 357 HD11 ILE 48 3HD1 ILE 48 -2.263 11.695 -9.282 358 HD12 ILE 48 1HD1 ILE 48 -3.615 12.818 -9.417 359 HD13 ILE 48 2HD1 ILE 48 -2.348 13.126 -8.227 360 H LYS 49 H LYS 49 -2.890 8.025 -5.678 361 HA LYS 49 HA LYS 49 -0.354 6.957 -4.678 362 HB2 LYS 49 1HB LYS 49 -2.595 7.612 -2.719 363 HB3 LYS 49 2HB LYS 49 -1.088 6.785 -2.364 364 HG2 LYS 49 1HG LYS 49 0.169 8.853 -2.942 365 HG3 LYS 49 2HG LYS 49 -1.361 9.695 -3.207 366 HD2 LYS 49 1HD LYS 49 -2.026 9.050 -0.847 367 HD3 LYS 49 2HD LYS 49 -0.369 8.480 -0.591 368 HE2 LYS 49 1HE LYS 49 -1.106 11.301 -1.506 369 HE3 LYS 49 2HE LYS 49 -0.931 10.837 0.195 370 HZ1 LYS 49 3HZ LYS 49 1.419 9.982 -0.797 371 HZ2 LYS 49 1HZ LYS 49 1.170 11.149 -1.835 372 HZ3 LYS 49 2HZ LYS 49 1.195 11.546 -0.248 373 H LEU 50 H LEU 50 -0.535 4.796 -4.015 374 HA LEU 50 HA LEU 50 -3.168 3.670 -3.621 375 HB2 LEU 50 1HB LEU 50 -3.072 1.858 -5.236 376 HB3 LEU 50 2HB LEU 50 -2.948 3.412 -6.040 377 HG LEU 50 HG LEU 50 -0.379 3.030 -5.944 378 HD11 LEU 50 1HD1 LEU 50 0.245 0.634 -6.261 379 HD12 LEU 50 2HD1 LEU 50 -0.331 0.921 -4.630 380 HD13 LEU 50 3HD1 LEU 50 -1.396 0.157 -5.802 381 HD21 LEU 50 3HD2 LEU 50 -1.687 3.204 -7.992 382 HD22 LEU 50 1HD2 LEU 50 -0.487 1.916 -8.146 383 HD23 LEU 50 2HD2 LEU 50 -2.188 1.505 -7.845 384 H ARG 51 H ARG 51 -3.170 1.604 -2.759 385 HA ARG 51 HA ARG 51 -0.641 0.442 -1.783 386 HB2 ARG 51 1HB ARG 51 -2.219 1.915 -0.076 387 HB3 ARG 51 2HB ARG 51 -3.019 0.347 0.027 388 HG2 ARG 51 1HG ARG 51 -0.555 -0.575 0.389 389 HG3 ARG 51 2HG ARG 51 -0.168 1.122 0.682 390 HD2 ARG 51 1HD ARG 51 -0.501 0.178 2.806 391 HD3 ARG 51 2HD ARG 51 -1.988 1.081 2.497 392 HE ARG 51 HE ARG 51 -1.618 -1.922 2.429 393 HH11 ARG 51 2HH2 ARG 51 -4.058 0.670 2.470 394 HH12 ARG 51 1HH2 ARG 51 -5.315 -0.505 2.156 395 HH21 ARG 51 1HH1 ARG 51 -3.115 -3.184 2.209 396 HH22 ARG 51 2HH1 ARG 51 -4.825 -2.686 1.907 397 H LEU 52 H LEU 52 -0.746 -1.793 -1.525 398 HA LEU 52 HA LEU 52 -3.255 -3.237 -1.951 399 HB2 LEU 52 1HB LEU 52 -2.473 -3.053 -4.178 400 HB3 LEU 52 2HB LEU 52 -0.816 -3.432 -3.745 401 HG LEU 52 HG LEU 52 -2.980 -5.512 -3.336 402 HD11 LEU 52 1HD1 LEU 52 -2.495 -6.329 -5.633 403 HD12 LEU 52 2HD1 LEU 52 -3.264 -4.748 -5.657 404 HD13 LEU 52 3HD1 LEU 52 -1.527 -4.868 -5.933 405 HD21 LEU 52 3HD2 LEU 52 -1.215 -7.013 -3.199 406 HD22 LEU 52 1HD2 LEU 52 -0.285 -6.208 -4.445 407 HD23 LEU 52 2HD2 LEU 52 -0.254 -5.610 -2.802 408 H ASP 53 H ASP 53 -3.299 -5.162 -0.910 409 HA ASP 53 HA ASP 53 -0.863 -6.251 0.424 410 HB2 ASP 53 1HB ASP 53 -3.399 -5.216 1.696 411 HB3 ASP 53 2HB ASP 53 -2.732 -6.711 2.321 412 H LYS 54 H LYS 54 -0.771 -8.434 0.139 413 HA LYS 54 HA LYS 54 -3.240 -9.966 -0.419 414 HB2 LYS 54 1HB LYS 54 -1.948 -11.898 -0.312 415 HB3 LYS 54 2HB LYS 54 -0.859 -10.712 -0.997 416 HG2 LYS 54 1HG LYS 54 0.484 -11.793 0.505 417 HG3 LYS 54 2HG LYS 54 0.032 -10.354 1.410 418 HD2 LYS 54 1HD LYS 54 -0.738 -11.694 3.068 419 HD3 LYS 54 2HD LYS 54 -1.987 -12.326 1.984 420 HE2 LYS 54 1HE LYS 54 -0.442 -13.955 1.095 421 HE3 LYS 54 2HE LYS 54 0.823 -13.318 2.153 422 HZ1 LYS 54 3HZ LYS 54 0.055 -14.876 3.579 423 HZ2 LYS 54 1HZ LYS 54 -1.162 -13.823 3.943 424 HZ3 LYS 54 2HZ LYS 54 -1.431 -15.020 2.859 425 H VAL 55 H VAL 55 -4.486 -10.975 0.973 426 HA VAL 55 HA VAL 55 -4.474 -9.759 3.666 427 HB VAL 55 HB VAL 55 -6.809 -10.316 3.754 428 HG11 VAL 55 1HG1 VAL 55 -7.596 -8.734 2.143 429 HG12 VAL 55 2HG1 VAL 55 -6.013 -8.202 2.757 430 HG13 VAL 55 3HG1 VAL 55 -6.142 -8.943 1.150 431 HG21 VAL 55 3HG2 VAL 55 -8.033 -11.195 1.852 432 HG22 VAL 55 1HG2 VAL 55 -6.512 -11.499 0.979 433 HG23 VAL 55 2HG2 VAL 55 -6.895 -12.397 2.468 434 H LEU 56 H LEU 56 -4.663 -10.780 5.410 435 HA LEU 56 HA LEU 56 -3.665 -12.091 6.933 436 HB2 LEU 56 1HB LEU 56 -6.027 -12.929 6.683 437 HB3 LEU 56 2HB LEU 56 -5.425 -14.190 5.607 438 HG LEU 56 HG LEU 56 -4.056 -15.119 7.487 439 HD11 LEU 56 1HD1 LEU 56 -3.709 -13.071 8.815 440 HD12 LEU 56 2HD1 LEU 56 -5.464 -12.944 9.097 441 HD13 LEU 56 3HD1 LEU 56 -4.529 -14.297 9.782 442 HD21 LEU 56 3HD2 LEU 56 -5.960 -15.947 8.792 443 HD22 LEU 56 1HD2 LEU 56 -6.986 -14.640 8.151 444 HD23 LEU 56 2HD2 LEU 56 -6.362 -15.901 7.061 445 H1 MET 1 1H MET 1 23.000 16.582 2.930 446 H2 MET 1 2H MET 1 23.434 17.276 1.486 447 H3 MET 1 3H MET 1 23.284 15.640 1.590 448 HA MET 1 HA MET 1 20.953 15.756 1.784 449 HB2 MET 1 1HB MET 1 20.983 17.755 3.265 450 HB3 MET 1 2HB MET 1 21.324 18.771 1.839 451 HG2 MET 1 1HG MET 1 18.922 16.911 2.004 452 HG3 MET 1 2HG MET 1 18.906 18.571 2.618 453 HE1 MET 1 3HE MET 1 16.737 17.898 0.889 454 HE2 MET 1 1HE MET 1 17.091 19.599 1.287 455 HE3 MET 1 2HE MET 1 16.756 19.134 -0.415 456 H VAL 2 H VAL 2 20.067 15.395 -0.028 457 HA VAL 2 HA VAL 2 20.752 17.188 -2.297 458 HB VAL 2 HB VAL 2 22.234 15.247 -2.276 459 HG11 VAL 2 1HG1 VAL 2 20.763 13.567 -1.162 460 HG12 VAL 2 2HG1 VAL 2 19.727 13.547 -2.606 461 HG13 VAL 2 3HG1 VAL 2 21.415 13.006 -2.705 462 HG21 VAL 2 3HG2 VAL 2 21.853 14.623 -4.558 463 HG22 VAL 2 1HG2 VAL 2 20.139 15.104 -4.461 464 HG23 VAL 2 2HG2 VAL 2 21.414 16.343 -4.337 465 H GLN 3 H GLN 3 18.366 14.957 -0.827 466 HA GLN 3 HA GLN 3 16.330 16.280 -2.487 467 HB2 GLN 3 1HB GLN 3 16.805 13.354 -1.769 468 HB3 GLN 3 2HB GLN 3 15.220 13.991 -2.223 469 HG2 GLN 3 1HG GLN 3 16.289 14.918 -4.332 470 HG3 GLN 3 2HG GLN 3 17.756 14.028 -3.911 471 HE21 GLN 3 1HE2 GLN 3 14.869 13.859 -5.646 472 HE22 GLN 3 2HE2 GLN 3 14.853 12.106 -5.815 473 H ASN 4 H ASN 4 14.545 16.797 -1.417 474 HA ASN 4 HA ASN 4 14.650 17.039 1.443 475 HB2 ASN 4 1HB ASN 4 13.472 18.623 0.002 476 HB3 ASN 4 2HB ASN 4 12.381 17.369 -0.614 477 HD21 ASN 4 1HD2 ASN 4 13.117 19.505 1.965 478 HD22 ASN 4 2HD2 ASN 4 11.677 19.095 2.935 479 H ASP 5 H ASP 5 12.288 15.261 -0.544 480 HA ASP 5 HA ASP 5 12.522 12.973 1.289 481 HB2 ASP 5 1HB ASP 5 10.829 14.649 2.194 482 HB3 ASP 5 2HB ASP 5 9.841 14.326 0.768 483 H PHE 6 H PHE 6 13.470 13.190 -1.111 484 HA PHE 6 HA PHE 6 13.425 12.842 -3.343 485 HB2 PHE 6 1HB PHE 6 12.950 10.506 -3.969 486 HB3 PHE 6 2HB PHE 6 14.078 10.782 -2.654 487 HD1 PHE 6 2HD PHE 6 10.534 9.721 -3.323 488 HD2 PHE 6 1HD PHE 6 13.868 9.709 -0.594 489 HE1 PHE 6 2HE PHE 6 9.479 7.879 -2.030 490 HE2 PHE 6 1HE PHE 6 12.816 7.865 0.683 491 HZ PHE 6 HZ PHE 6 10.628 6.930 -0.058 492 H VAL 7 H VAL 7 11.517 14.531 -2.791 493 HA VAL 7 HA VAL 7 9.013 13.879 -4.073 494 HB VAL 7 HB VAL 7 10.089 16.613 -3.268 495 HG11 VAL 7 1HG1 VAL 7 7.531 15.608 -4.399 496 HG12 VAL 7 2HG1 VAL 7 7.314 16.569 -2.955 497 HG13 VAL 7 3HG1 VAL 7 8.170 17.249 -4.341 498 HG21 VAL 7 3HG2 VAL 7 8.483 14.599 -1.665 499 HG22 VAL 7 1HG2 VAL 7 10.116 15.205 -1.304 500 HG23 VAL 7 2HG2 VAL 7 8.748 16.303 -1.209 501 H ASP 8 H ASP 8 9.789 13.129 -6.073 502 HA ASP 8 HA ASP 8 10.149 15.314 -8.073 503 HB2 ASP 8 1HB ASP 8 12.434 14.641 -7.402 504 HB3 ASP 8 2HB ASP 8 12.065 12.941 -7.770 505 H SER 9 H SER 9 10.577 11.820 -8.334 506 HA SER 9 HA SER 9 8.130 11.568 -10.016 507 HB2 SER 9 1HB SER 9 10.871 10.359 -10.566 508 HB3 SER 9 2HB SER 9 9.395 10.113 -11.520 509 HG SER 9 HG SER 9 10.791 12.537 -11.152 510 H TYR 10 H TYR 10 7.638 9.101 -10.289 511 HA TYR 10 HA TYR 10 6.385 8.813 -7.828 512 HB2 TYR 10 1HB TYR 10 6.807 6.849 -10.139 513 HB3 TYR 10 2HB TYR 10 5.857 6.428 -8.742 514 HD1 TYR 10 1HD TYR 10 6.017 9.173 -11.362 515 HD2 TYR 10 2HD TYR 10 3.614 6.738 -8.740 516 HE1 TYR 10 1HE TYR 10 3.949 10.164 -12.327 517 HE2 TYR 10 2HE TYR 10 1.554 7.722 -9.720 518 HH TYR 10 HH TYR 10 0.666 9.351 -11.116 519 H ASP 11 H ASP 11 6.424 7.429 -6.196 520 HA ASP 11 HA ASP 11 8.836 5.778 -5.555 521 HB2 ASP 11 1HB ASP 11 8.239 7.423 -3.885 522 HB3 ASP 11 2HB ASP 11 6.545 6.940 -3.953 523 H VAL 12 H VAL 12 8.655 3.663 -5.590 524 HA VAL 12 HA VAL 12 6.011 2.336 -5.467 525 HB VAL 12 HB VAL 12 8.214 1.450 -7.357 526 HG11 VAL 12 1HG1 VAL 12 6.539 -0.120 -8.122 527 HG12 VAL 12 2HG1 VAL 12 6.760 -0.350 -6.389 528 HG13 VAL 12 3HG1 VAL 12 5.332 0.531 -6.984 529 HG21 VAL 12 3HG2 VAL 12 7.209 3.479 -8.278 530 HG22 VAL 12 1HG2 VAL 12 6.673 2.055 -9.172 531 HG23 VAL 12 2HG2 VAL 12 5.583 2.825 -7.986 532 H THR 13 H THR 13 6.256 1.823 -3.417 533 HA THR 13 HA THR 13 8.666 0.367 -2.418 534 HB THR 13 HB THR 13 6.232 1.559 -1.023 535 HG1 THR 13 1HG THR 13 7.967 3.016 -1.853 536 HG21 THR 13 3HG2 THR 13 7.639 1.161 1.044 537 HG22 THR 13 1HG2 THR 13 6.971 -0.316 0.328 538 HG23 THR 13 2HG2 THR 13 8.678 0.103 0.065 539 H MET 14 H MET 14 8.604 -1.832 -2.571 540 HA MET 14 HA MET 14 5.925 -3.176 -2.623 541 HB2 MET 14 1HB MET 14 6.735 -2.661 -4.927 542 HB3 MET 14 2HB MET 14 8.162 -3.662 -4.622 543 HG2 MET 14 1HG MET 14 6.715 -5.625 -4.241 544 HG3 MET 14 2HG MET 14 5.273 -4.635 -4.469 545 HE1 MET 14 3HE MET 14 5.487 -3.779 -8.294 546 HE2 MET 14 1HE MET 14 4.287 -4.038 -7.000 547 HE3 MET 14 2HE MET 14 5.629 -2.880 -6.771 548 H LEU 15 H LEU 15 5.819 -5.240 -1.979 549 HA LEU 15 HA LEU 15 8.249 -6.522 -0.830 550 HB2 LEU 15 1HB LEU 15 6.838 -5.469 0.906 551 HB3 LEU 15 2HB LEU 15 5.450 -6.369 0.277 552 HG LEU 15 HG LEU 15 6.585 -8.510 0.863 553 HD11 LEU 15 1HD1 LEU 15 8.463 -8.128 2.683 554 HD12 LEU 15 2HD1 LEU 15 8.856 -8.207 0.983 555 HD13 LEU 15 3HD1 LEU 15 8.730 -6.636 1.787 556 HD21 LEU 15 3HD2 LEU 15 5.348 -6.584 2.578 557 HD22 LEU 15 1HD2 LEU 15 5.405 -8.334 2.764 558 HD23 LEU 15 2HD2 LEU 15 6.627 -7.324 3.511 559 H LEU 16 H LEU 16 8.657 -8.152 -2.033 560 HA LEU 16 HA LEU 16 6.517 -9.974 -3.049 561 HB2 LEU 16 1HB LEU 16 8.907 -8.778 -4.255 562 HB3 LEU 16 2HB LEU 16 9.098 -10.504 -4.184 563 HG LEU 16 HG LEU 16 8.208 -9.736 -6.293 564 HD11 LEU 16 1HD1 LEU 16 5.977 -11.337 -5.075 565 HD12 LEU 16 2HD1 LEU 16 6.742 -11.456 -6.658 566 HD13 LEU 16 3HD1 LEU 16 7.602 -12.017 -5.234 567 HD21 LEU 16 3HD2 LEU 16 6.869 -7.855 -5.859 568 HD22 LEU 16 1HD2 LEU 16 5.745 -9.089 -6.418 569 HD23 LEU 16 2HD2 LEU 16 5.848 -8.698 -4.707 570 H GLN 17 H GLN 17 7.278 -12.257 -3.168 571 HA GLN 17 HA GLN 17 9.005 -12.998 -0.861 572 HB2 GLN 17 1HB GLN 17 6.577 -13.186 -0.372 573 HB3 GLN 17 2HB GLN 17 6.409 -14.323 -1.721 574 HG2 GLN 17 1HG GLN 17 7.900 -15.905 -0.635 575 HG3 GLN 17 2HG GLN 17 8.335 -14.733 0.617 576 HE21 GLN 17 1HE2 GLN 17 6.018 -17.129 -0.401 577 HE22 GLN 17 2HE2 GLN 17 4.989 -16.950 1.026 578 H ASP 18 H ASP 18 10.707 -14.117 -1.444 579 HA ASP 18 HA ASP 18 10.982 -15.389 -4.053 580 HB2 ASP 18 1HB ASP 18 12.861 -14.426 -2.663 581 HB3 ASP 18 2HB ASP 18 12.588 -15.746 -1.502 582 H ASP 19 H ASP 19 10.997 -17.616 -4.420 583 HA ASP 19 HA ASP 19 8.868 -19.042 -3.087 584 HB2 ASP 19 1HB ASP 19 10.796 -19.718 -5.318 585 HB3 ASP 19 2HB ASP 19 9.641 -20.898 -4.694 586 H ASP 20 H ASP 20 12.189 -18.816 -2.266 587 HA ASP 20 HA ASP 20 12.238 -21.301 -0.713 588 HB2 ASP 20 1HB ASP 20 14.211 -20.004 -1.698 589 HB3 ASP 20 2HB ASP 20 13.932 -18.796 -0.435 590 H GLY 21 H GLY 21 10.413 -18.563 -0.419 591 HA2 GLY 21 1HA GLY 21 8.837 -18.209 1.291 592 HA3 GLY 21 2HA GLY 21 9.889 -19.017 2.463 593 H LYS 22 H LYS 22 11.569 -16.760 0.538 594 HA LYS 22 HA LYS 22 11.959 -15.097 2.964 595 HB2 LYS 22 1HB LYS 22 13.568 -15.108 0.382 596 HB3 LYS 22 2HB LYS 22 13.993 -14.314 1.896 597 HG2 LYS 22 1HG LYS 22 13.717 -17.328 1.501 598 HG3 LYS 22 2HG LYS 22 15.228 -16.413 1.509 599 HD2 LYS 22 1HD LYS 22 14.789 -15.684 3.838 600 HD3 LYS 22 2HD LYS 22 13.281 -16.646 3.853 601 HE2 LYS 22 1HE LYS 22 14.519 -18.680 3.309 602 HE3 LYS 22 2HE LYS 22 16.030 -17.766 3.204 603 HZ1 LYS 22 3HZ LYS 22 15.775 -18.830 5.358 604 HZ2 LYS 22 1HZ LYS 22 15.788 -17.186 5.532 605 HZ3 LYS 22 2HZ LYS 22 14.366 -18.014 5.635 606 H GLN 23 H GLN 23 10.616 -13.499 3.173 607 HA GLN 23 HA GLN 23 9.534 -11.998 0.915 608 HB2 GLN 23 1HB GLN 23 9.316 -11.859 3.932 609 HB3 GLN 23 2HB GLN 23 8.793 -10.486 2.934 610 HG2 GLN 23 1HG GLN 23 7.310 -11.913 1.665 611 HG3 GLN 23 2HG GLN 23 7.832 -13.317 2.616 612 HE21 GLN 23 1HE2 GLN 23 5.573 -13.565 2.935 613 HE22 GLN 23 2HE2 GLN 23 4.783 -12.608 4.242 614 H TYR 24 H TYR 24 10.357 -10.226 0.008 615 HA TYR 24 HA TYR 24 12.527 -8.780 1.453 616 HB2 TYR 24 1HB TYR 24 13.865 -8.676 -0.513 617 HB3 TYR 24 2HB TYR 24 13.578 -10.341 -0.047 618 HD1 TYR 24 1HD TYR 24 12.147 -11.827 -1.450 619 HD2 TYR 24 2HD TYR 24 13.086 -7.788 -2.613 620 HE1 TYR 24 1HE TYR 24 11.458 -12.344 -3.779 621 HE2 TYR 24 2HE TYR 24 12.381 -8.290 -4.950 622 HH TYR 24 HH TYR 24 11.167 -11.531 -5.865 623 H TYR 25 H TYR 25 12.200 -6.755 1.648 624 HA TYR 25 HA TYR 25 10.169 -5.291 0.124 625 HB2 TYR 25 1HB TYR 25 11.888 -4.849 2.530 626 HB3 TYR 25 2HB TYR 25 11.652 -3.428 1.535 627 HD1 TYR 25 2HD TYR 25 9.222 -2.892 0.748 628 HD2 TYR 25 1HD TYR 25 10.260 -5.335 4.150 629 HE1 TYR 25 2HE TYR 25 6.983 -2.442 1.760 630 HE2 TYR 25 1HE TYR 25 8.055 -4.868 5.172 631 HH TYR 25 HH TYR 25 6.089 -3.805 4.926 632 H GLU 26 H GLU 26 10.541 -3.726 -1.347 633 HA GLU 26 HA GLU 26 13.295 -2.770 -1.815 634 HB2 GLU 26 1HB GLU 26 11.394 -3.663 -4.017 635 HB3 GLU 26 2HB GLU 26 12.888 -2.732 -4.238 636 HG2 GLU 26 1HG GLU 26 14.183 -4.611 -3.232 637 HG3 GLU 26 2HG GLU 26 12.701 -5.589 -3.227 638 H TYR 27 H TYR 27 13.368 -0.708 -2.581 639 HA TYR 27 HA TYR 27 10.905 0.960 -2.313 640 HB2 TYR 27 1HB TYR 27 13.735 1.476 -1.318 641 HB3 TYR 27 2HB TYR 27 12.382 2.600 -1.216 642 HD1 TYR 27 1HD TYR 27 10.477 2.163 0.251 643 HD2 TYR 27 2HD TYR 27 13.939 -0.401 0.202 644 HE1 TYR 27 1HE TYR 27 9.790 1.182 2.450 645 HE2 TYR 27 2HE TYR 27 13.258 -1.385 2.377 646 HH TYR 27 HH TYR 27 11.681 -1.391 4.013 647 H HIS 28 H HIS 28 10.586 1.182 -4.550 648 HA HIS 28 HA HIS 28 12.947 2.013 -6.180 649 HB2 HIS 28 1HB HIS 28 10.258 0.908 -7.024 650 HB3 HIS 28 2HB HIS 28 11.606 1.345 -8.062 651 HD1 HIS 28 1HD HIS 28 13.828 -0.226 -7.877 652 HD2 HIS 28 2HD HIS 28 10.239 -1.521 -6.084 653 HE1 HIS 28 1HE HIS 28 14.048 -2.802 -7.556 654 HE2 HIS 28 2HE HIS 28 11.933 -3.602 -6.477 655 H LYS 29 H LYS 29 12.946 4.129 -5.430 656 HA LYS 29 HA LYS 29 10.678 5.836 -6.337 657 HB2 LYS 29 1HB LYS 29 11.813 7.602 -4.875 658 HB3 LYS 29 2HB LYS 29 10.921 6.295 -4.132 659 HG2 LYS 29 1HG LYS 29 12.856 6.697 -2.825 660 HG3 LYS 29 2HG LYS 29 12.980 5.107 -3.542 661 HD2 LYS 29 1HD LYS 29 15.132 6.121 -3.575 662 HD3 LYS 29 2HD LYS 29 14.584 6.055 -5.252 663 HE2 LYS 29 1HE LYS 29 13.872 8.444 -5.096 664 HE3 LYS 29 2HE LYS 29 14.363 8.464 -3.391 665 HZ1 LYS 29 3HZ LYS 29 16.104 8.209 -5.757 666 HZ2 LYS 29 1HZ LYS 29 16.161 9.377 -4.582 667 HZ3 LYS 29 2HZ LYS 29 16.631 7.832 -4.251 668 H GLY 30 H GLY 30 10.908 7.694 -7.420 669 HA2 GLY 30 1HA GLY 30 12.000 9.212 -8.896 670 HA3 GLY 30 2HA GLY 30 13.420 8.157 -8.956 671 H LEU 31 H LEU 31 10.167 6.846 -9.367 672 HA LEU 31 HA LEU 31 10.914 5.960 -12.118 673 HB2 LEU 31 1HB LEU 31 8.969 4.892 -10.015 674 HB3 LEU 31 2HB LEU 31 9.163 4.217 -11.613 675 HG LEU 31 HG LEU 31 11.104 4.112 -9.313 676 HD11 LEU 31 1HD1 LEU 31 9.417 2.354 -9.512 677 HD12 LEU 31 2HD1 LEU 31 9.817 2.099 -11.228 678 HD13 LEU 31 3HD1 LEU 31 10.989 1.673 -10.006 679 HD21 LEU 31 3HD2 LEU 31 11.760 3.529 -12.231 680 HD22 LEU 31 1HD2 LEU 31 12.553 4.720 -11.173 681 HD23 LEU 31 2HD2 LEU 31 12.732 3.000 -10.839 682 H SER 32 H SER 32 8.690 5.276 -13.261 683 HA SER 32 HA SER 32 6.620 7.335 -12.852 684 HB2 SER 32 1HB SER 32 6.478 7.933 -15.077 685 HB3 SER 32 2HB SER 32 8.213 7.927 -14.786 686 HG SER 32 HG SER 32 8.505 6.113 -15.986 687 H LEU 33 H LEU 33 4.609 6.600 -14.233 688 HA LEU 33 HA LEU 33 3.822 4.098 -13.154 689 HB2 LEU 33 1HB LEU 33 2.652 5.842 -15.354 690 HB3 LEU 33 2HB LEU 33 1.843 4.415 -14.733 691 HG LEU 33 HG LEU 33 2.591 6.833 -13.015 692 HD11 LEU 33 1HD1 LEU 33 0.233 7.336 -13.070 693 HD12 LEU 33 2HD1 LEU 33 0.838 7.263 -14.723 694 HD13 LEU 33 3HD1 LEU 33 -0.099 5.899 -14.070 695 HD21 LEU 33 3HD2 LEU 33 1.122 5.792 -11.348 696 HD22 LEU 33 1HD2 LEU 33 0.972 4.378 -12.412 697 HD23 LEU 33 2HD2 LEU 33 2.522 4.769 -11.670 698 H SER 34 H SER 34 5.261 4.762 -16.348 699 HA SER 34 HA SER 34 4.700 2.114 -17.394 700 HB2 SER 34 1HB SER 34 6.790 4.217 -18.100 701 HB3 SER 34 2HB SER 34 6.487 2.732 -19.008 702 HG SER 34 HG SER 34 4.383 4.535 -18.494 703 H ASP 35 H ASP 35 7.204 3.424 -15.262 704 HA ASP 35 HA ASP 35 9.000 1.100 -15.529 705 HB2 ASP 35 1HB ASP 35 8.904 3.421 -13.572 706 HB3 ASP 35 2HB ASP 35 10.217 2.250 -13.699 707 H PHE 36 H PHE 36 6.464 2.311 -13.352 708 HA PHE 36 HA PHE 36 6.583 0.208 -11.398 709 HB2 PHE 36 1HB PHE 36 5.239 2.109 -10.914 710 HB3 PHE 36 2HB PHE 36 4.401 2.021 -12.444 711 HD1 PHE 36 2HD PHE 36 5.028 -0.302 -9.575 712 HD2 PHE 36 1HD PHE 36 2.213 1.246 -12.423 713 HE1 PHE 36 2HE PHE 36 3.280 -1.772 -8.614 714 HE2 PHE 36 1HE PHE 36 0.453 -0.225 -11.485 715 HZ PHE 36 HZ PHE 36 0.989 -1.747 -9.578 716 H GLU 37 H GLU 37 4.770 0.387 -14.549 717 HA GLU 37 HA GLU 37 3.606 -2.169 -14.362 718 HB2 GLU 37 1HB GLU 37 4.460 -0.423 -16.686 719 HB3 GLU 37 2HB GLU 37 3.655 -1.984 -16.930 720 HG2 GLU 37 1HG GLU 37 1.756 -1.316 -15.582 721 HG3 GLU 37 2HG GLU 37 2.515 0.217 -15.168 722 H VAL 38 H VAL 38 6.926 -1.389 -15.149 723 HA VAL 38 HA VAL 38 7.613 -4.060 -16.111 724 HB VAL 38 HB VAL 38 9.395 -1.851 -14.985 725 HG11 VAL 38 1HG1 VAL 38 11.054 -3.254 -16.558 726 HG12 VAL 38 2HG1 VAL 38 10.833 -3.660 -14.862 727 HG13 VAL 38 3HG1 VAL 38 9.980 -4.572 -16.115 728 HG21 VAL 38 3HG2 VAL 38 8.765 -2.676 -17.847 729 HG22 VAL 38 1HG2 VAL 38 8.234 -1.180 -17.063 730 HG23 VAL 38 2HG2 VAL 38 9.949 -1.432 -17.351 731 H LEU 39 H LEU 39 7.848 -2.435 -12.910 732 HA LEU 39 HA LEU 39 8.856 -4.812 -11.607 733 HB2 LEU 39 1HB LEU 39 9.011 -2.433 -10.755 734 HB3 LEU 39 2HB LEU 39 7.283 -2.499 -10.408 735 HG LEU 39 HG LEU 39 7.718 -4.422 -8.833 736 HD11 LEU 39 1HD1 LEU 39 9.838 -5.283 -9.751 737 HD12 LEU 39 2HD1 LEU 39 10.637 -3.734 -9.403 738 HD13 LEU 39 3HD1 LEU 39 10.070 -4.779 -8.078 739 HD21 LEU 39 3HD2 LEU 39 9.326 -1.874 -8.373 740 HD22 LEU 39 1HD2 LEU 39 7.590 -2.069 -8.074 741 HD23 LEU 39 2HD2 LEU 39 8.743 -2.990 -7.098 742 H TYR 40 H TYR 40 5.589 -3.529 -12.197 743 HA TYR 40 HA TYR 40 4.247 -5.623 -10.820 744 HB2 TYR 40 1HB TYR 40 3.373 -3.323 -11.514 745 HB3 TYR 40 2HB TYR 40 3.033 -4.066 -13.077 746 HD1 TYR 40 1HD TYR 40 2.332 -4.176 -9.416 747 HD2 TYR 40 2HD TYR 40 1.182 -5.635 -13.305 748 HE1 TYR 40 1HE TYR 40 0.227 -5.124 -8.446 749 HE2 TYR 40 2HE TYR 40 -0.878 -6.620 -12.334 750 HH TYR 40 HH TYR 40 -2.240 -6.762 -10.444 751 H GLY 41 H GLY 41 5.850 -5.648 -13.886 752 HA2 GLY 41 1HA GLY 41 4.619 -8.002 -15.006 753 HA3 GLY 41 2HA GLY 41 6.272 -7.425 -15.294 754 H ASN 42 H ASN 42 7.106 -7.513 -12.497 755 HA ASN 42 HA ASN 42 7.727 -10.382 -12.309 756 HB2 ASN 42 1HB ASN 42 9.368 -8.506 -11.959 757 HB3 ASN 42 2HB ASN 42 8.493 -8.063 -10.484 758 HD21 ASN 42 1HD2 ASN 42 9.197 -9.058 -8.605 759 HD22 ASN 42 2HD2 ASN 42 10.177 -10.529 -8.633 760 H THR 43 H THR 43 5.330 -8.321 -11.001 761 HA THR 43 HA THR 43 4.833 -9.317 -8.431 762 HB THR 43 HB THR 43 3.029 -8.193 -10.566 763 HG1 THR 43 1HG THR 43 3.511 -6.423 -9.476 764 HG21 THR 43 3HG2 THR 43 2.299 -8.655 -7.724 765 HG22 THR 43 1HG2 THR 43 1.431 -7.571 -8.820 766 HG23 THR 43 2HG2 THR 43 1.429 -9.317 -9.130 767 H ALA 44 H ALA 44 4.227 -10.961 -11.416 768 HA ALA 44 HA ALA 44 2.258 -12.821 -10.605 769 HB1 ALA 44 3HB ALA 44 3.182 -14.163 -12.447 770 HB2 ALA 44 1HB ALA 44 3.051 -12.450 -12.918 771 HB3 ALA 44 2HB ALA 44 4.637 -13.138 -12.486 772 H ASP 45 H ASP 45 5.368 -12.442 -9.233 773 HA ASP 45 HA ASP 45 5.549 -15.308 -8.520 774 HB2 ASP 45 1HB ASP 45 7.443 -14.045 -9.598 775 HB3 ASP 45 2HB ASP 45 7.624 -13.149 -8.084 776 H GLU 46 H GLU 46 3.508 -13.979 -7.320 777 HA GLU 46 HA GLU 46 2.381 -14.067 -5.353 778 HB2 GLU 46 1HB GLU 46 4.827 -15.334 -4.076 779 HB3 GLU 46 2HB GLU 46 3.189 -15.272 -3.459 780 HG2 GLU 46 1HG GLU 46 3.288 -17.397 -4.309 781 HG3 GLU 46 2HG GLU 46 2.471 -16.518 -5.599 782 H ILE 47 H ILE 47 2.582 -11.742 -5.672 783 HA ILE 47 HA ILE 47 4.242 -10.220 -3.912 784 HB ILE 47 HB ILE 47 3.296 -9.334 -5.946 785 HG12 ILE 47 1HG1 ILE 47 2.181 -7.700 -3.633 786 HG13 ILE 47 2HG1 ILE 47 3.913 -7.917 -3.877 787 HG21 ILE 47 1HG2 ILE 47 0.917 -8.689 -6.152 788 HG22 ILE 47 2HG2 ILE 47 0.975 -10.400 -5.776 789 HG23 ILE 47 3HG2 ILE 47 0.593 -9.212 -4.536 790 HD11 ILE 47 3HD1 ILE 47 2.032 -6.646 -5.863 791 HD12 ILE 47 1HD1 ILE 47 3.204 -5.847 -4.794 792 HD13 ILE 47 2HD1 ILE 47 3.785 -6.915 -6.086 793 H ILE 48 H ILE 48 3.677 -8.937 -2.229 794 HA ILE 48 HA ILE 48 1.732 -10.144 -0.311 795 HB ILE 48 HB ILE 48 4.480 -9.077 0.367 796 HG12 ILE 48 1HG1 ILE 48 4.849 -11.095 -0.948 797 HG13 ILE 48 2HG1 ILE 48 5.298 -11.303 0.728 798 HG21 ILE 48 1HG2 ILE 48 2.485 -10.668 2.025 799 HG22 ILE 48 2HG2 ILE 48 4.103 -10.170 2.544 800 HG23 ILE 48 3HG2 ILE 48 2.864 -8.951 2.210 801 HD11 ILE 48 3HD1 ILE 48 3.378 -12.693 1.182 802 HD12 ILE 48 1HD1 ILE 48 2.647 -12.302 -0.389 803 HD13 ILE 48 2HD1 ILE 48 4.118 -13.275 -0.315 804 H LYS 49 H LYS 49 3.778 -7.235 -0.930 805 HA LYS 49 HA LYS 49 1.378 -5.581 -0.430 806 HB2 LYS 49 1HB LYS 49 4.045 -4.869 0.857 807 HB3 LYS 49 2HB LYS 49 2.563 -3.938 0.903 808 HG2 LYS 49 1HG LYS 49 1.445 -5.752 2.161 809 HG3 LYS 49 2HG LYS 49 2.965 -6.660 2.192 810 HD2 LYS 49 1HD LYS 49 4.089 -4.782 3.317 811 HD3 LYS 49 2HD LYS 49 2.581 -3.862 3.350 812 HE2 LYS 49 1HE LYS 49 2.774 -6.651 4.544 813 HE3 LYS 49 2HE LYS 49 3.339 -5.237 5.449 814 HZ1 LYS 49 3HZ LYS 49 1.143 -4.290 5.275 815 HZ2 LYS 49 1HZ LYS 49 0.577 -5.530 4.375 816 HZ3 LYS 49 2HZ LYS 49 1.022 -5.800 5.936 817 H LEU 50 H LEU 50 1.471 -3.523 -1.267 818 HA LEU 50 HA LEU 50 3.816 -2.544 -2.727 819 HB2 LEU 50 1HB LEU 50 3.023 -3.599 -4.587 820 HB3 LEU 50 2HB LEU 50 1.377 -3.647 -4.007 821 HG LEU 50 HG LEU 50 1.143 -1.195 -4.631 822 HD11 LEU 50 1HD1 LEU 50 3.362 -0.337 -4.950 823 HD12 LEU 50 2HD1 LEU 50 3.867 -1.759 -5.858 824 HD13 LEU 50 3HD1 LEU 50 2.756 -0.587 -6.573 825 HD21 LEU 50 3HD2 LEU 50 0.246 -3.068 -5.937 826 HD22 LEU 50 1HD2 LEU 50 0.804 -1.770 -6.991 827 HD23 LEU 50 2HD2 LEU 50 1.800 -3.235 -6.784 828 H ARG 51 H ARG 51 3.944 -0.424 -2.597 829 HA ARG 51 HA ARG 51 1.535 1.256 -2.192 830 HB2 ARG 51 1HB ARG 51 2.915 0.887 -0.025 831 HB3 ARG 51 2HB ARG 51 4.200 1.781 -0.836 832 HG2 ARG 51 1HG ARG 51 2.614 3.692 -1.206 833 HG3 ARG 51 2HG ARG 51 1.375 2.767 -0.372 834 HD2 ARG 51 1HD ARG 51 2.356 4.482 1.092 835 HD3 ARG 51 2HD ARG 51 2.580 2.847 1.714 836 HE ARG 51 HE ARG 51 4.821 3.229 1.730 837 HH11 ARG 51 2HH2 ARG 51 3.675 5.505 -0.775 838 HH12 ARG 51 1HH2 ARG 51 5.372 5.876 -1.166 839 HH21 ARG 51 1HH1 ARG 51 6.880 3.986 1.123 840 HH22 ARG 51 2HH1 ARG 51 6.944 5.090 -0.254 841 H LEU 52 H LEU 52 1.455 2.824 -3.697 842 HA LEU 52 HA LEU 52 3.985 3.750 -4.902 843 HB2 LEU 52 1HB LEU 52 3.306 2.263 -6.505 844 HB3 LEU 52 2HB LEU 52 1.616 2.658 -6.399 845 HG LEU 52 HG LEU 52 3.650 4.600 -7.539 846 HD11 LEU 52 1HD1 LEU 52 1.850 2.993 -9.329 847 HD12 LEU 52 2HD1 LEU 52 3.485 3.628 -9.607 848 HD13 LEU 52 3HD1 LEU 52 3.242 2.170 -8.658 849 HD21 LEU 52 3HD2 LEU 52 1.362 5.113 -8.884 850 HD22 LEU 52 1HD2 LEU 52 0.644 4.570 -7.388 851 HD23 LEU 52 2HD2 LEU 52 1.719 5.945 -7.406 852 H ASP 53 H ASP 53 4.074 5.856 -5.459 853 HA ASP 53 HA ASP 53 1.804 7.651 -4.720 854 HB2 ASP 53 1HB ASP 53 3.495 6.960 -2.785 855 HB3 ASP 53 2HB ASP 53 4.606 8.042 -3.611 856 H LYS 54 H LYS 54 1.707 9.317 -6.285 857 HA LYS 54 HA LYS 54 3.982 9.676 -8.043 858 HB2 LYS 54 1HB LYS 54 2.769 11.164 -9.236 859 HB3 LYS 54 2HB LYS 54 1.548 10.072 -8.628 860 HG2 LYS 54 1HG LYS 54 0.760 11.691 -7.003 861 HG3 LYS 54 2HG LYS 54 2.086 12.796 -7.311 862 HD2 LYS 54 1HD LYS 54 0.006 11.969 -9.349 863 HD3 LYS 54 2HD LYS 54 -0.026 13.494 -8.456 864 HE2 LYS 54 1HE LYS 54 2.423 12.762 -10.073 865 HE3 LYS 54 2HE LYS 54 0.969 13.228 -10.952 866 HZ1 LYS 54 3HZ LYS 54 2.599 14.765 -9.054 867 HZ2 LYS 54 1HZ LYS 54 2.319 15.087 -10.642 868 HZ3 LYS 54 2HZ LYS 54 1.109 15.315 -9.540 869 H VAL 55 H VAL 55 4.402 10.104 -5.376 870 HA VAL 55 HA VAL 55 5.200 11.507 -3.719 871 HB VAL 55 HB VAL 55 7.433 12.214 -4.124 872 HG11 VAL 55 1HG1 VAL 55 6.985 9.381 -5.039 873 HG12 VAL 55 2HG1 VAL 55 8.360 10.035 -4.127 874 HG13 VAL 55 3HG1 VAL 55 6.769 9.913 -3.361 875 HG21 VAL 55 3HG2 VAL 55 7.138 10.978 -6.875 876 HG22 VAL 55 1HG2 VAL 55 7.448 12.690 -6.565 877 HG23 VAL 55 2HG2 VAL 55 8.665 11.484 -6.112 878 H LEU 56 H LEU 56 3.965 12.906 -3.306 879 HA LEU 56 HA LEU 56 4.392 15.704 -3.973 880 HB2 LEU 56 1HB LEU 56 2.968 14.855 -5.848 881 HB3 LEU 56 2HB LEU 56 1.833 14.179 -4.670 882 HG LEU 56 HG LEU 56 1.333 16.509 -3.866 883 HD11 LEU 56 1HD1 LEU 56 3.542 17.465 -4.717 884 HD12 LEU 56 2HD1 LEU 56 2.860 17.399 -6.346 885 HD13 LEU 56 3HD1 LEU 56 2.107 18.409 -5.084 886 HD21 LEU 56 3HD2 LEU 56 0.023 17.148 -5.838 887 HD22 LEU 56 1HD2 LEU 56 0.957 16.008 -6.836 888 HD23 LEU 56 2HD2 LEU 56 -0.088 15.405 -5.529 Start of MODEL 7 1 H1 MET 1 1H MET 1 -14.021 -14.011 -6.826 2 H2 MET 1 2H MET 1 -12.413 -13.852 -7.209 3 H3 MET 1 3H MET 1 -13.405 -12.515 -7.188 4 HA MET 1 HA MET 1 -13.168 -14.053 -4.744 5 HB2 MET 1 1HB MET 1 -11.079 -12.038 -5.711 6 HB3 MET 1 2HB MET 1 -11.296 -12.575 -4.045 7 HG2 MET 1 1HG MET 1 -9.532 -13.873 -4.889 8 HG3 MET 1 2HG MET 1 -10.932 -14.925 -4.745 9 HE1 MET 1 3HE MET 1 -9.522 -16.576 -6.032 10 HE2 MET 1 1HE MET 1 -9.022 -16.487 -7.733 11 HE3 MET 1 2HE MET 1 -8.170 -15.506 -6.505 12 H VAL 2 H VAL 2 -14.188 -12.941 -3.098 13 HA VAL 2 HA VAL 2 -14.497 -10.087 -3.245 14 HB VAL 2 HB VAL 2 -16.882 -10.153 -2.508 15 HG11 VAL 2 1HG1 VAL 2 -17.869 -10.312 -4.705 16 HG12 VAL 2 2HG1 VAL 2 -16.259 -9.589 -4.843 17 HG13 VAL 2 3HG1 VAL 2 -16.510 -11.285 -5.301 18 HG21 VAL 2 3HG2 VAL 2 -17.265 -12.374 -1.747 19 HG22 VAL 2 1HG2 VAL 2 -18.260 -12.192 -3.208 20 HG23 VAL 2 2HG2 VAL 2 -16.732 -13.095 -3.288 21 H GLN 3 H GLN 3 -15.024 -9.254 -1.066 22 HA GLN 3 HA GLN 3 -13.601 -10.565 1.007 23 HB2 GLN 3 1HB GLN 3 -14.510 -8.783 2.399 24 HB3 GLN 3 2HB GLN 3 -13.970 -8.121 0.867 25 HG2 GLN 3 1HG GLN 3 -16.298 -8.000 0.039 26 HG3 GLN 3 2HG GLN 3 -16.898 -8.794 1.477 27 HE21 GLN 3 1HE2 GLN 3 -15.834 -5.682 0.183 28 HE22 GLN 3 2HE2 GLN 3 -16.258 -4.821 1.667 29 H ASN 4 H ASN 4 -14.278 -11.655 2.866 30 HA ASN 4 HA ASN 4 -16.976 -12.875 2.861 31 HB2 ASN 4 1HB ASN 4 -15.004 -14.228 3.492 32 HB3 ASN 4 2HB ASN 4 -14.569 -13.064 4.742 33 HD21 ASN 4 1HD2 ASN 4 -17.139 -15.395 3.747 34 HD22 ASN 4 2HD2 ASN 4 -17.716 -15.570 5.413 35 H ASP 5 H ASP 5 -14.999 -10.880 5.059 36 HA ASP 5 HA ASP 5 -17.190 -8.999 5.544 37 HB2 ASP 5 1HB ASP 5 -17.662 -10.804 7.202 38 HB3 ASP 5 2HB ASP 5 -16.029 -10.621 7.865 39 H PHE 6 H PHE 6 -15.870 -7.525 4.565 40 HA PHE 6 HA PHE 6 -14.216 -6.098 4.108 41 HB2 PHE 6 1HB PHE 6 -14.572 -5.595 6.599 42 HB3 PHE 6 2HB PHE 6 -13.101 -6.502 6.892 43 HD1 PHE 6 1HD PHE 6 -10.893 -5.666 5.935 44 HD2 PHE 6 2HD PHE 6 -14.563 -3.403 5.661 45 HE1 PHE 6 1HE PHE 6 -9.599 -3.638 5.407 46 HE2 PHE 6 2HE PHE 6 -13.263 -1.354 5.184 47 HZ PHE 6 HZ PHE 6 -10.759 -1.473 5.060 48 H VAL 7 H VAL 7 -13.079 -9.009 5.711 49 HA VAL 7 HA VAL 7 -10.486 -9.055 4.306 50 HB VAL 7 HB VAL 7 -11.731 -10.607 6.631 51 HG11 VAL 7 1HG1 VAL 7 -10.107 -12.104 5.416 52 HG12 VAL 7 2HG1 VAL 7 -8.860 -10.869 5.710 53 HG13 VAL 7 3HG1 VAL 7 -9.646 -11.686 7.070 54 HG21 VAL 7 3HG2 VAL 7 -11.151 -8.371 7.277 55 HG22 VAL 7 1HG2 VAL 7 -9.855 -9.408 7.893 56 HG23 VAL 7 2HG2 VAL 7 -9.592 -8.447 6.420 57 H ASP 8 H ASP 8 -10.107 -10.322 2.622 58 HA ASP 8 HA ASP 8 -10.611 -13.075 2.978 59 HB2 ASP 8 1HB ASP 8 -12.744 -12.721 1.777 60 HB3 ASP 8 2HB ASP 8 -11.891 -11.949 0.441 61 H SER 9 H SER 9 -10.132 -11.391 -0.037 62 HA SER 9 HA SER 9 -7.298 -12.279 -0.396 63 HB2 SER 9 1HB SER 9 -9.537 -11.923 -2.409 64 HB3 SER 9 2HB SER 9 -7.869 -12.428 -2.736 65 HG SER 9 HG SER 9 -9.851 -13.916 -1.186 66 H TYR 10 H TYR 10 -6.886 -10.787 -2.655 67 HA TYR 10 HA TYR 10 -5.261 -8.810 -1.537 68 HB2 TYR 10 1HB TYR 10 -6.436 -9.009 -4.312 69 HB3 TYR 10 2HB TYR 10 -5.373 -7.711 -3.855 70 HD1 TYR 10 1HD TYR 10 -5.510 -11.434 -4.250 71 HD2 TYR 10 2HD TYR 10 -3.072 -7.955 -3.603 72 HE1 TYR 10 1HE TYR 10 -3.456 -12.768 -4.785 73 HE2 TYR 10 2HE TYR 10 -1.035 -9.253 -4.156 74 HH TYR 10 HH TYR 10 -0.178 -11.364 -4.346 75 H ASP 11 H ASP 11 -5.809 -7.032 -0.410 76 HA ASP 11 HA ASP 11 -8.203 -5.317 -0.941 77 HB2 ASP 11 1HB ASP 11 -5.847 -5.271 0.975 78 HB3 ASP 11 2HB ASP 11 -6.595 -3.755 0.510 79 H VAL 12 H VAL 12 -8.143 -3.470 -1.993 80 HA VAL 12 HA VAL 12 -5.749 -2.490 -3.450 81 HB VAL 12 HB VAL 12 -8.517 -2.980 -4.651 82 HG11 VAL 12 1HG1 VAL 12 -7.613 -0.873 -5.494 83 HG12 VAL 12 2HG1 VAL 12 -6.018 -1.591 -5.720 84 HG13 VAL 12 3HG1 VAL 12 -7.387 -2.099 -6.747 85 HG21 VAL 12 3HG2 VAL 12 -7.364 -4.462 -6.232 86 HG22 VAL 12 1HG2 VAL 12 -5.830 -4.187 -5.370 87 HG23 VAL 12 2HG2 VAL 12 -7.163 -5.046 -4.581 88 H THR 13 H THR 13 -5.505 -0.703 -2.277 89 HA THR 13 HA THR 13 -7.742 1.160 -1.637 90 HB THR 13 HB THR 13 -4.907 1.477 -0.632 91 HG1 THR 13 1HG THR 13 -6.153 -0.719 -0.192 92 HG21 THR 13 3HG2 THR 13 -7.097 3.024 -0.405 93 HG22 THR 13 1HG2 THR 13 -7.278 2.004 1.054 94 HG23 THR 13 2HG2 THR 13 -5.782 2.953 0.774 95 H MET 14 H MET 14 -7.987 2.494 -3.576 96 HA MET 14 HA MET 14 -5.398 3.510 -4.696 97 HB2 MET 14 1HB MET 14 -6.702 1.866 -6.081 98 HB3 MET 14 2HB MET 14 -7.974 3.064 -6.211 99 HG2 MET 14 1HG MET 14 -6.861 4.241 -7.770 100 HG3 MET 14 2HG MET 14 -5.431 4.329 -6.829 101 HE1 MET 14 3HE MET 14 -7.167 1.217 -8.767 102 HE2 MET 14 1HE MET 14 -5.734 0.282 -9.220 103 HE3 MET 14 2HE MET 14 -6.085 0.496 -7.527 104 H LEU 15 H LEU 15 -5.264 5.677 -5.420 105 HA LEU 15 HA LEU 15 -7.457 7.482 -4.657 106 HB2 LEU 15 1HB LEU 15 -5.575 6.912 -2.886 107 HB3 LEU 15 2HB LEU 15 -4.599 8.030 -3.851 108 HG LEU 15 HG LEU 15 -7.313 8.706 -2.678 109 HD11 LEU 15 1HD1 LEU 15 -5.675 8.088 -0.907 110 HD12 LEU 15 2HD1 LEU 15 -4.513 9.237 -1.584 111 HD13 LEU 15 3HD1 LEU 15 -6.030 9.822 -0.864 112 HD21 LEU 15 3HD2 LEU 15 -5.210 10.804 -3.225 113 HD22 LEU 15 1HD2 LEU 15 -6.127 10.169 -4.598 114 HD23 LEU 15 2HD2 LEU 15 -7.002 10.862 -3.232 115 H LEU 16 H LEU 16 -7.886 8.660 -6.351 116 HA LEU 16 HA LEU 16 -5.728 9.377 -8.290 117 HB2 LEU 16 1HB LEU 16 -8.664 9.109 -8.999 118 HB3 LEU 16 2HB LEU 16 -7.304 9.350 -10.063 119 HG LEU 16 HG LEU 16 -7.961 7.222 -10.527 120 HD11 LEU 16 1HD1 LEU 16 -5.585 7.306 -10.247 121 HD12 LEU 16 2HD1 LEU 16 -5.712 6.766 -8.548 122 HD13 LEU 16 3HD1 LEU 16 -6.208 5.701 -9.883 123 HD21 LEU 16 3HD2 LEU 16 -8.354 6.687 -7.591 124 HD22 LEU 16 1HD2 LEU 16 -9.544 6.741 -8.921 125 HD23 LEU 16 2HD2 LEU 16 -8.351 5.422 -8.846 126 H GLN 17 H GLN 17 -6.264 11.355 -9.523 127 HA GLN 17 HA GLN 17 -7.920 13.318 -8.005 128 HB2 GLN 17 1HB GLN 17 -5.477 13.660 -7.764 129 HB3 GLN 17 2HB GLN 17 -5.343 13.881 -9.514 130 HG2 GLN 17 1HG GLN 17 -6.877 15.830 -9.381 131 HG3 GLN 17 2HG GLN 17 -7.127 15.540 -7.658 132 HE21 GLN 17 1HE2 GLN 17 -5.117 17.068 -10.029 133 HE22 GLN 17 2HE2 GLN 17 -3.912 17.651 -8.881 134 H ASP 18 H ASP 18 -9.549 14.098 -9.026 135 HA ASP 18 HA ASP 18 -10.121 13.550 -11.816 136 HB2 ASP 18 1HB ASP 18 -11.832 13.587 -9.990 137 HB3 ASP 18 2HB ASP 18 -11.446 15.287 -9.697 138 H ASP 19 H ASP 19 -10.767 15.308 -13.324 139 HA ASP 19 HA ASP 19 -8.645 17.141 -13.845 140 HB2 ASP 19 1HB ASP 19 -9.925 17.747 -15.802 141 HB3 ASP 19 2HB ASP 19 -10.054 16.011 -15.568 142 H ASP 20 H ASP 20 -11.576 17.581 -11.927 143 HA ASP 20 HA ASP 20 -11.358 20.527 -11.927 144 HB2 ASP 20 1HB ASP 20 -12.989 18.531 -10.318 145 HB3 ASP 20 2HB ASP 20 -13.064 20.268 -10.065 146 H GLY 21 H GLY 21 -9.348 18.152 -10.669 147 HA2 GLY 21 1HA GLY 21 -7.482 18.505 -9.304 148 HA3 GLY 21 2HA GLY 21 -8.207 19.961 -8.629 149 H LYS 22 H LYS 22 -10.475 17.482 -8.638 150 HA LYS 22 HA LYS 22 -10.396 17.311 -5.749 151 HB2 LYS 22 1HB LYS 22 -12.502 17.628 -7.097 152 HB3 LYS 22 2HB LYS 22 -12.293 16.021 -7.779 153 HG2 LYS 22 1HG LYS 22 -13.862 15.812 -5.985 154 HG3 LYS 22 2HG LYS 22 -12.378 15.104 -5.380 155 HD2 LYS 22 1HD LYS 22 -11.867 17.353 -4.222 156 HD3 LYS 22 2HD LYS 22 -13.395 17.943 -4.821 157 HE2 LYS 22 1HE LYS 22 -14.490 15.871 -3.687 158 HE3 LYS 22 2HE LYS 22 -12.928 15.504 -2.997 159 HZ1 LYS 22 3HZ LYS 22 -14.380 18.088 -2.612 160 HZ2 LYS 22 1HZ LYS 22 -14.358 16.916 -1.467 161 HZ3 LYS 22 2HZ LYS 22 -12.959 17.697 -1.899 162 H GLN 23 H GLN 23 -9.090 15.929 -4.721 163 HA GLN 23 HA GLN 23 -8.280 13.373 -5.874 164 HB2 GLN 23 1HB GLN 23 -7.878 14.613 -3.132 165 HB3 GLN 23 2HB GLN 23 -7.314 13.000 -3.579 166 HG2 GLN 23 1HG GLN 23 -6.043 13.923 -5.498 167 HG3 GLN 23 2HG GLN 23 -6.578 15.556 -5.074 168 HE21 GLN 23 1HE2 GLN 23 -4.203 15.918 -5.152 169 HE22 GLN 23 2HE2 GLN 23 -3.341 15.609 -3.617 170 H TYR 24 H TYR 24 -9.206 11.436 -5.625 171 HA TYR 24 HA TYR 24 -11.282 11.100 -3.548 172 HB2 TYR 24 1HB TYR 24 -12.936 10.286 -5.030 173 HB3 TYR 24 2HB TYR 24 -12.418 11.834 -5.650 174 HD1 TYR 24 2HD TYR 24 -11.087 11.983 -7.769 175 HD2 TYR 24 1HD TYR 24 -12.530 8.196 -6.260 176 HE1 TYR 24 2HE TYR 24 -10.791 10.964 -10.017 177 HE2 TYR 24 1HE TYR 24 -12.214 7.188 -8.491 178 HH TYR 24 HH TYR 24 -10.952 9.098 -11.342 179 H TYR 25 H TYR 25 -11.889 8.950 -3.157 180 HA TYR 25 HA TYR 25 -9.462 7.246 -3.162 181 HB2 TYR 25 1HB TYR 25 -10.013 8.649 -1.160 182 HB3 TYR 25 2HB TYR 25 -11.559 7.841 -1.047 183 HD1 TYR 25 2HD TYR 25 -7.864 7.003 -1.139 184 HD2 TYR 25 1HD TYR 25 -11.751 6.074 0.471 185 HE1 TYR 25 2HE TYR 25 -6.804 5.530 0.547 186 HE2 TYR 25 1HE TYR 25 -10.701 4.583 2.150 187 HH TYR 25 HH TYR 25 -7.251 4.527 2.719 188 H GLU 26 H GLU 26 -9.638 5.174 -3.544 189 HA GLU 26 HA GLU 26 -12.278 3.866 -4.076 190 HB2 GLU 26 1HB GLU 26 -9.816 4.221 -5.818 191 HB3 GLU 26 2HB GLU 26 -10.924 2.892 -6.093 192 HG2 GLU 26 1HG GLU 26 -11.709 5.843 -6.128 193 HG3 GLU 26 2HG GLU 26 -11.317 4.881 -7.557 194 H TYR 27 H TYR 27 -11.793 3.056 -1.894 195 HA TYR 27 HA TYR 27 -9.733 0.954 -1.804 196 HB2 TYR 27 1HB TYR 27 -9.982 2.587 0.037 197 HB3 TYR 27 2HB TYR 27 -11.576 1.922 0.369 198 HD1 TYR 27 1HD TYR 27 -9.302 -0.827 -0.534 199 HD2 TYR 27 2HD TYR 27 -10.287 1.922 2.664 200 HE1 TYR 27 1HE TYR 27 -8.365 -2.360 1.069 201 HE2 TYR 27 2HE TYR 27 -9.249 0.345 4.291 202 HH TYR 27 HH TYR 27 -8.062 -2.960 3.250 203 H HIS 28 H HIS 28 -10.174 -0.928 -2.586 204 HA HIS 28 HA HIS 28 -12.863 -2.151 -2.323 205 HB2 HIS 28 1HB HIS 28 -10.765 -2.475 -4.530 206 HB3 HIS 28 2HB HIS 28 -12.314 -3.304 -4.402 207 HD1 HIS 28 1HD HIS 28 -14.517 -1.879 -4.979 208 HD2 HIS 28 2HD HIS 28 -10.824 0.168 -5.243 209 HE1 HIS 28 1HE HIS 28 -15.002 0.402 -6.146 210 HE2 HIS 28 2HE HIS 28 -12.849 1.639 -6.275 211 H LYS 29 H LYS 29 -12.838 -4.365 -1.685 212 HA LYS 29 HA LYS 29 -10.244 -5.293 -0.519 213 HB2 LYS 29 1HB LYS 29 -12.931 -5.387 0.853 214 HB3 LYS 29 2HB LYS 29 -11.386 -5.938 1.469 215 HG2 LYS 29 1HG LYS 29 -11.240 -3.950 2.502 216 HG3 LYS 29 2HG LYS 29 -10.801 -3.300 0.928 217 HD2 LYS 29 1HD LYS 29 -13.291 -2.892 0.488 218 HD3 LYS 29 2HD LYS 29 -13.605 -3.422 2.153 219 HE2 LYS 29 1HE LYS 29 -12.167 -1.629 3.010 220 HE3 LYS 29 2HE LYS 29 -11.744 -1.138 1.371 221 HZ1 LYS 29 3HZ LYS 29 -13.541 0.238 2.308 222 HZ2 LYS 29 1HZ LYS 29 -14.028 -0.552 0.958 223 HZ3 LYS 29 2HZ LYS 29 -14.501 -1.089 2.451 224 H GLY 30 H GLY 30 -10.021 -7.464 -0.178 225 HA2 GLY 30 1HA GLY 30 -10.451 -9.715 -0.350 226 HA3 GLY 30 2HA GLY 30 -12.147 -9.336 -0.558 227 H LEU 31 H LEU 31 -9.484 -8.354 -2.813 228 HA LEU 31 HA LEU 31 -11.041 -9.691 -4.989 229 HB2 LEU 31 1HB LEU 31 -9.369 -7.163 -5.193 230 HB3 LEU 31 2HB LEU 31 -10.408 -7.890 -6.419 231 HG LEU 31 HG LEU 31 -11.368 -6.509 -3.913 232 HD11 LEU 31 1HD1 LEU 31 -12.367 -4.995 -5.617 233 HD12 LEU 31 2HD1 LEU 31 -10.570 -5.019 -5.664 234 HD13 LEU 31 3HD1 LEU 31 -11.544 -5.878 -6.885 235 HD21 LEU 31 3HD2 LEU 31 -12.937 -7.913 -6.147 236 HD22 LEU 31 1HD2 LEU 31 -12.923 -8.369 -4.432 237 HD23 LEU 31 2HD2 LEU 31 -13.654 -6.843 -4.918 238 H SER 32 H SER 32 -8.908 -8.980 -6.950 239 HA SER 32 HA SER 32 -6.580 -10.506 -6.016 240 HB2 SER 32 1HB SER 32 -6.800 -12.206 -7.551 241 HB3 SER 32 2HB SER 32 -8.423 -12.057 -6.914 242 HG SER 32 HG SER 32 -8.991 -10.652 -8.785 243 H LEU 33 H LEU 33 -4.963 -10.704 -7.931 244 HA LEU 33 HA LEU 33 -4.182 -8.071 -8.618 245 HB2 LEU 33 1HB LEU 33 -3.330 -10.807 -9.591 246 HB3 LEU 33 2HB LEU 33 -2.571 -9.343 -10.219 247 HG LEU 33 HG LEU 33 -2.732 -9.912 -7.233 248 HD11 LEU 33 1HD1 LEU 33 -0.465 -10.554 -9.163 249 HD12 LEU 33 2HD1 LEU 33 -0.501 -10.768 -7.394 250 HD13 LEU 33 3HD1 LEU 33 -1.518 -11.768 -8.408 251 HD21 LEU 33 3HD2 LEU 33 -2.180 -7.492 -8.101 252 HD22 LEU 33 1HD2 LEU 33 -1.024 -8.251 -6.998 253 HD23 LEU 33 2HD2 LEU 33 -0.709 -8.206 -8.756 254 H SER 34 H SER 34 -6.167 -10.366 -10.517 255 HA SER 34 HA SER 34 -6.039 -8.836 -12.974 256 HB2 SER 34 1HB SER 34 -7.982 -10.914 -11.890 257 HB3 SER 34 2HB SER 34 -8.214 -10.074 -13.417 258 HG SER 34 HG SER 34 -6.087 -11.770 -12.572 259 H ASP 35 H ASP 35 -7.986 -8.615 -9.961 260 HA ASP 35 HA ASP 35 -9.966 -6.791 -11.099 261 HB2 ASP 35 1HB ASP 35 -9.259 -7.433 -8.225 262 HB3 ASP 35 2HB ASP 35 -10.732 -6.649 -8.797 263 H PHE 36 H PHE 36 -6.996 -6.558 -9.187 264 HA PHE 36 HA PHE 36 -6.862 -3.700 -8.858 265 HB2 PHE 36 1HB PHE 36 -5.404 -5.188 -7.617 266 HB3 PHE 36 2HB PHE 36 -4.760 -5.888 -9.081 267 HD1 PHE 36 1HD PHE 36 -5.092 -2.555 -7.436 268 HD2 PHE 36 2HD PHE 36 -2.719 -5.081 -9.981 269 HE1 PHE 36 1HE PHE 36 -3.324 -0.828 -7.468 270 HE2 PHE 36 2HE PHE 36 -0.937 -3.357 -10.027 271 HZ PHE 36 HZ PHE 36 -1.229 -1.228 -8.761 272 H GLU 37 H GLU 37 -5.497 -5.856 -11.404 273 HA GLU 37 HA GLU 37 -4.410 -3.930 -13.119 274 HB2 GLU 37 1HB GLU 37 -4.200 -6.465 -13.164 275 HB3 GLU 37 2HB GLU 37 -5.794 -6.535 -13.886 276 HG2 GLU 37 1HG GLU 37 -4.187 -6.748 -15.627 277 HG3 GLU 37 2HG GLU 37 -4.960 -5.171 -15.815 278 H VAL 38 H VAL 38 -7.796 -5.136 -13.015 279 HA VAL 38 HA VAL 38 -8.765 -3.427 -15.132 280 HB VAL 38 HB VAL 38 -10.221 -4.762 -12.809 281 HG11 VAL 38 1HG1 VAL 38 -11.401 -3.158 -15.124 282 HG12 VAL 38 2HG1 VAL 38 -12.327 -4.206 -14.027 283 HG13 VAL 38 3HG1 VAL 38 -11.535 -2.776 -13.392 284 HG21 VAL 38 3HG2 VAL 38 -9.569 -6.422 -14.360 285 HG22 VAL 38 1HG2 VAL 38 -11.192 -6.002 -14.915 286 HG23 VAL 38 2HG2 VAL 38 -9.754 -5.338 -15.747 287 H LEU 39 H LEU 39 -8.836 -2.879 -11.529 288 HA LEU 39 HA LEU 39 -10.097 -0.363 -11.816 289 HB2 LEU 39 1HB LEU 39 -9.915 -1.743 -9.719 290 HB3 LEU 39 2HB LEU 39 -8.238 -1.243 -9.579 291 HG LEU 39 HG LEU 39 -9.084 1.199 -9.506 292 HD11 LEU 39 1HD1 LEU 39 -11.304 0.894 -10.526 293 HD12 LEU 39 2HD1 LEU 39 -11.795 -0.133 -9.164 294 HD13 LEU 39 3HD1 LEU 39 -11.415 1.591 -8.916 295 HD21 LEU 39 3HD2 LEU 39 -8.477 -0.144 -7.479 296 HD22 LEU 39 1HD2 LEU 39 -9.751 1.026 -7.145 297 HD23 LEU 39 2HD2 LEU 39 -10.148 -0.704 -7.374 298 H TYR 40 H TYR 40 -6.605 -1.077 -11.607 299 HA TYR 40 HA TYR 40 -5.639 1.630 -11.677 300 HB2 TYR 40 1HB TYR 40 -4.248 -0.185 -10.916 301 HB3 TYR 40 2HB TYR 40 -4.468 -1.066 -12.408 302 HD1 TYR 40 2HD TYR 40 -3.055 2.228 -11.183 303 HD2 TYR 40 1HD TYR 40 -2.826 -0.974 -14.072 304 HE1 TYR 40 2HE TYR 40 -0.948 3.183 -12.085 305 HE2 TYR 40 1HE TYR 40 -0.733 -0.016 -14.972 306 HH TYR 40 HH TYR 40 0.723 1.739 -15.030 307 H GLY 41 H GLY 41 -6.685 -0.582 -14.310 308 HA2 GLY 41 1HA GLY 41 -5.714 1.238 -16.408 309 HA3 GLY 41 2HA GLY 41 -6.594 -0.269 -16.623 310 H ASN 42 H ASN 42 -8.876 0.484 -14.856 311 HA ASN 42 HA ASN 42 -10.390 1.782 -16.975 312 HB2 ASN 42 1HB ASN 42 -11.084 -0.357 -15.881 313 HB3 ASN 42 2HB ASN 42 -11.189 0.469 -14.328 314 HD21 ASN 42 1HD2 ASN 42 -12.586 0.431 -17.675 315 HD22 ASN 42 2HD2 ASN 42 -14.120 1.087 -17.095 316 H THR 43 H THR 43 -9.299 2.609 -13.710 317 HA THR 43 HA THR 43 -11.122 4.750 -13.254 318 HB THR 43 HB THR 43 -9.234 5.669 -11.735 319 HG1 THR 43 1HG THR 43 -8.179 3.056 -12.092 320 HG21 THR 43 3HG2 THR 43 -11.068 4.464 -10.780 321 HG22 THR 43 1HG2 THR 43 -10.428 2.909 -11.354 322 HG23 THR 43 2HG2 THR 43 -9.572 3.810 -10.080 323 H ALA 44 H ALA 44 -7.920 4.720 -14.710 324 HA ALA 44 HA ALA 44 -6.755 6.077 -16.091 325 HB1 ALA 44 3HB ALA 44 -8.064 5.744 -17.870 326 HB2 ALA 44 1HB ALA 44 -9.559 6.285 -17.048 327 HB3 ALA 44 2HB ALA 44 -8.422 7.482 -17.689 328 H ASP 45 H ASP 45 -8.777 7.808 -13.888 329 HA ASP 45 HA ASP 45 -7.657 10.417 -14.316 330 HB2 ASP 45 1HB ASP 45 -8.842 9.048 -11.888 331 HB3 ASP 45 2HB ASP 45 -8.302 10.724 -11.852 332 H GLU 46 H GLU 46 -6.196 11.528 -12.877 333 HA GLU 46 HA GLU 46 -3.647 10.255 -13.042 334 HB2 GLU 46 1HB GLU 46 -3.987 12.637 -13.419 335 HB3 GLU 46 2HB GLU 46 -4.468 12.881 -11.737 336 HG2 GLU 46 1HG GLU 46 -2.234 12.270 -10.942 337 HG3 GLU 46 2HG GLU 46 -1.749 11.722 -12.546 338 H ILE 47 H ILE 47 -3.091 8.628 -11.778 339 HA ILE 47 HA ILE 47 -3.905 8.259 -9.091 340 HB ILE 47 HB ILE 47 -3.391 6.419 -10.464 341 HG12 ILE 47 1HG1 ILE 47 -2.970 6.259 -7.972 342 HG13 ILE 47 2HG1 ILE 47 -2.349 4.999 -9.023 343 HG21 ILE 47 1HG2 ILE 47 -1.768 7.189 -12.027 344 HG22 ILE 47 2HG2 ILE 47 -0.561 7.417 -10.760 345 HG23 ILE 47 3HG2 ILE 47 -1.106 5.782 -11.198 346 HD11 ILE 47 3HD1 ILE 47 -0.754 7.154 -7.620 347 HD12 ILE 47 1HD1 ILE 47 -0.714 5.398 -7.356 348 HD13 ILE 47 2HD1 ILE 47 -0.056 6.077 -8.862 349 H ILE 48 H ILE 48 -3.273 8.927 -7.288 350 HA ILE 48 HA ILE 48 -0.858 10.642 -6.954 351 HB ILE 48 HB ILE 48 -3.506 10.516 -5.443 352 HG12 ILE 48 1HG1 ILE 48 -3.905 11.619 -7.553 353 HG13 ILE 48 2HG1 ILE 48 -3.910 12.797 -6.263 354 HG21 ILE 48 1HG2 ILE 48 -1.816 11.101 -3.833 355 HG22 ILE 48 2HG2 ILE 48 -1.062 12.254 -4.941 356 HG23 ILE 48 3HG2 ILE 48 -2.671 12.585 -4.261 357 HD11 ILE 48 3HD1 ILE 48 -2.638 13.995 -7.676 358 HD12 ILE 48 1HD1 ILE 48 -1.288 12.990 -7.086 359 HD13 ILE 48 2HD1 ILE 48 -2.110 12.568 -8.604 360 H LYS 49 H LYS 49 -2.914 8.049 -5.584 361 HA LYS 49 HA LYS 49 -0.526 6.854 -4.342 362 HB2 LYS 49 1HB LYS 49 -1.957 8.404 -2.709 363 HB3 LYS 49 2HB LYS 49 -3.084 7.064 -2.726 364 HG2 LYS 49 1HG LYS 49 -1.822 6.562 -0.869 365 HG3 LYS 49 2HG LYS 49 -1.048 5.563 -2.074 366 HD2 LYS 49 1HD LYS 49 0.665 6.679 -0.796 367 HD3 LYS 49 2HD LYS 49 0.640 7.495 -2.376 368 HE2 LYS 49 1HE LYS 49 -0.460 9.385 -1.519 369 HE3 LYS 49 2HE LYS 49 -1.112 8.498 -0.177 370 HZ1 LYS 49 3HZ LYS 49 1.229 8.403 0.786 371 HZ2 LYS 49 1HZ LYS 49 1.816 9.215 -0.527 372 HZ3 LYS 49 2HZ LYS 49 0.833 9.971 0.532 373 H LEU 50 H LEU 50 -0.688 4.620 -4.125 374 HA LEU 50 HA LEU 50 -3.294 3.582 -3.792 375 HB2 LEU 50 1HB LEU 50 -3.426 1.792 -5.421 376 HB3 LEU 50 2HB LEU 50 -3.164 3.299 -6.258 377 HG LEU 50 HG LEU 50 -0.659 2.652 -6.139 378 HD11 LEU 50 1HD1 LEU 50 -0.269 0.179 -6.512 379 HD12 LEU 50 2HD1 LEU 50 -0.604 0.608 -4.851 380 HD13 LEU 50 3HD1 LEU 50 -1.884 -0.111 -5.835 381 HD21 LEU 50 3HD2 LEU 50 -1.916 2.917 -8.248 382 HD22 LEU 50 1HD2 LEU 50 -0.785 1.575 -8.352 383 HD23 LEU 50 2HD2 LEU 50 -2.516 1.265 -8.092 384 H ARG 51 H ARG 51 -3.308 1.465 -2.939 385 HA ARG 51 HA ARG 51 -0.800 0.293 -1.989 386 HB2 ARG 51 1HB ARG 51 -2.070 1.911 -0.229 387 HB3 ARG 51 2HB ARG 51 -3.031 0.452 0.018 388 HG2 ARG 51 1HG ARG 51 -0.857 -0.851 0.305 389 HG3 ARG 51 2HG ARG 51 0.000 0.684 0.175 390 HD2 ARG 51 1HD ARG 51 -0.213 0.294 2.524 391 HD3 ARG 51 2HD ARG 51 -1.411 1.521 2.126 392 HE ARG 51 HE ARG 51 -3.125 0.046 2.651 393 HH11 ARG 51 2HH2 ARG 51 -0.227 -1.954 2.382 394 HH12 ARG 51 1HH2 ARG 51 -1.068 -3.360 3.038 395 HH21 ARG 51 1HH1 ARG 51 -4.086 -1.847 3.486 396 HH22 ARG 51 2HH1 ARG 51 -3.063 -3.258 3.659 397 H LEU 52 H LEU 52 -0.893 -1.858 -2.429 398 HA LEU 52 HA LEU 52 -3.500 -3.250 -2.421 399 HB2 LEU 52 1HB LEU 52 -2.961 -3.176 -4.672 400 HB3 LEU 52 2HB LEU 52 -1.251 -3.337 -4.440 401 HG LEU 52 HG LEU 52 -3.095 -5.633 -3.674 402 HD11 LEU 52 1HD1 LEU 52 -2.950 -6.519 -5.964 403 HD12 LEU 52 2HD1 LEU 52 -3.818 -4.993 -5.872 404 HD13 LEU 52 3HD1 LEU 52 -2.163 -5.009 -6.497 405 HD21 LEU 52 3HD2 LEU 52 -0.713 -6.474 -5.068 406 HD22 LEU 52 1HD2 LEU 52 -0.267 -5.314 -3.779 407 HD23 LEU 52 2HD2 LEU 52 -1.156 -6.775 -3.367 408 H ASP 53 H ASP 53 -3.531 -5.219 -1.412 409 HA ASP 53 HA ASP 53 -1.109 -6.136 0.055 410 HB2 ASP 53 1HB ASP 53 -2.357 -4.218 1.255 411 HB3 ASP 53 2HB ASP 53 -3.653 -5.356 1.540 412 H LYS 54 H LYS 54 -1.057 -8.299 -0.384 413 HA LYS 54 HA LYS 54 -3.435 -9.912 -0.939 414 HB2 LYS 54 1HB LYS 54 -1.086 -10.288 -1.784 415 HB3 LYS 54 2HB LYS 54 -0.664 -10.665 -0.127 416 HG2 LYS 54 1HG LYS 54 -2.333 -12.573 -0.160 417 HG3 LYS 54 2HG LYS 54 -2.660 -12.168 -1.855 418 HD2 LYS 54 1HD LYS 54 -0.033 -12.360 -2.113 419 HD3 LYS 54 2HD LYS 54 -0.116 -13.247 -0.584 420 HE2 LYS 54 1HE LYS 54 -1.611 -14.898 -1.596 421 HE3 LYS 54 2HE LYS 54 -1.765 -13.902 -3.055 422 HZ1 LYS 54 3HZ LYS 54 0.755 -15.170 -2.143 423 HZ2 LYS 54 1HZ LYS 54 -0.137 -15.618 -3.454 424 HZ3 LYS 54 2HZ LYS 54 0.639 -14.151 -3.419 425 H VAL 55 H VAL 55 -4.735 -9.360 0.793 426 HA VAL 55 HA VAL 55 -4.180 -9.994 3.511 427 HB VAL 55 HB VAL 55 -6.852 -9.936 2.094 428 HG11 VAL 55 1HG1 VAL 55 -7.212 -10.897 4.241 429 HG12 VAL 55 2HG1 VAL 55 -6.266 -9.609 5.044 430 HG13 VAL 55 3HG1 VAL 55 -7.817 -9.249 4.260 431 HG21 VAL 55 3HG2 VAL 55 -5.240 -7.724 3.460 432 HG22 VAL 55 1HG2 VAL 55 -5.721 -7.780 1.754 433 HG23 VAL 55 2HG2 VAL 55 -6.947 -7.541 2.978 434 H LEU 56 H LEU 56 -4.940 -11.507 4.685 435 HA LEU 56 HA LEU 56 -4.604 -13.629 5.537 436 HB2 LEU 56 1HB LEU 56 -7.024 -13.003 5.560 437 HB3 LEU 56 2HB LEU 56 -7.241 -13.812 4.027 438 HG LEU 56 HG LEU 56 -6.606 -15.997 5.088 439 HD11 LEU 56 1HD1 LEU 56 -6.955 -14.512 7.698 440 HD12 LEU 56 2HD1 LEU 56 -6.470 -16.221 7.448 441 HD13 LEU 56 3HD1 LEU 56 -5.317 -14.905 7.125 442 HD21 LEU 56 3HD2 LEU 56 -8.957 -14.477 6.335 443 HD22 LEU 56 1HD2 LEU 56 -8.967 -15.306 4.779 444 HD23 LEU 56 2HD2 LEU 56 -8.772 -16.239 6.256 445 H1 MET 1 1H MET 1 19.453 16.048 -8.101 446 H2 MET 1 2H MET 1 18.433 14.902 -7.471 447 H3 MET 1 3H MET 1 19.764 15.361 -6.619 448 HA MET 1 HA MET 1 18.725 17.721 -6.804 449 HB2 MET 1 1HB MET 1 16.782 16.877 -8.133 450 HB3 MET 1 2HB MET 1 16.351 15.796 -6.806 451 HG2 MET 1 1HG MET 1 14.995 17.901 -6.837 452 HG3 MET 1 2HG MET 1 15.868 17.669 -5.345 453 HE1 MET 1 3HE MET 1 14.513 20.474 -6.424 454 HE2 MET 1 1HE MET 1 15.247 20.071 -4.836 455 HE3 MET 1 2HE MET 1 15.695 21.566 -5.695 456 H VAL 2 H VAL 2 18.586 18.574 -4.758 457 HA VAL 2 HA VAL 2 19.291 16.882 -2.547 458 HB VAL 2 HB VAL 2 18.789 18.902 -1.137 459 HG11 VAL 2 1HG1 VAL 2 20.732 20.168 -1.959 460 HG12 VAL 2 2HG1 VAL 2 21.036 18.425 -2.020 461 HG13 VAL 2 3HG1 VAL 2 20.650 19.306 -3.510 462 HG21 VAL 2 3HG2 VAL 2 18.347 21.062 -2.197 463 HG22 VAL 2 1HG2 VAL 2 18.310 20.321 -3.805 464 HG23 VAL 2 2HG2 VAL 2 17.035 19.961 -2.629 465 H GLN 3 H GLN 3 18.249 16.205 -0.882 466 HA GLN 3 HA GLN 3 15.567 15.389 -1.422 467 HB2 GLN 3 1HB GLN 3 17.518 13.965 -0.726 468 HB3 GLN 3 2HB GLN 3 17.495 14.728 0.850 469 HG2 GLN 3 1HG GLN 3 15.689 13.492 1.533 470 HG3 GLN 3 2HG GLN 3 14.755 14.025 0.140 471 HE21 GLN 3 1HE2 GLN 3 13.862 11.808 0.754 472 HE22 GLN 3 2HE2 GLN 3 14.418 10.450 -0.184 473 H ASN 4 H ASN 4 14.711 17.610 -1.192 474 HA ASN 4 HA ASN 4 14.477 18.914 1.364 475 HB2 ASN 4 1HB ASN 4 12.606 20.172 0.252 476 HB3 ASN 4 2HB ASN 4 14.085 20.103 -0.703 477 HD21 ASN 4 1HD2 ASN 4 12.658 20.814 -2.499 478 HD22 ASN 4 2HD2 ASN 4 11.756 19.535 -3.308 479 H ASP 5 H ASP 5 12.399 16.570 -0.210 480 HA ASP 5 HA ASP 5 11.483 15.636 2.476 481 HB2 ASP 5 1HB ASP 5 9.688 17.080 1.490 482 HB3 ASP 5 2HB ASP 5 9.720 16.124 0.014 483 H PHE 6 H PHE 6 10.177 14.281 -0.467 484 HA PHE 6 HA PHE 6 11.949 11.927 -0.220 485 HB2 PHE 6 1HB PHE 6 9.273 12.122 0.041 486 HB3 PHE 6 2HB PHE 6 9.338 11.868 -1.683 487 HD1 PHE 6 2HD PHE 6 10.269 10.500 1.662 488 HD2 PHE 6 1HD PHE 6 10.128 9.659 -2.579 489 HE1 PHE 6 2HE PHE 6 10.537 8.106 2.139 490 HE2 PHE 6 1HE PHE 6 10.387 7.257 -2.101 491 HZ PHE 6 HZ PHE 6 10.562 6.453 0.249 492 H VAL 7 H VAL 7 10.709 14.217 -2.420 493 HA VAL 7 HA VAL 7 10.968 14.870 -4.501 494 HB VAL 7 HB VAL 7 12.988 15.410 -3.009 495 HG11 VAL 7 1HG1 VAL 7 15.217 14.863 -3.902 496 HG12 VAL 7 2HG1 VAL 7 14.393 13.399 -3.386 497 HG13 VAL 7 3HG1 VAL 7 14.499 13.795 -5.112 498 HG21 VAL 7 3HG2 VAL 7 13.905 16.883 -4.625 499 HG22 VAL 7 1HG2 VAL 7 13.365 15.888 -5.983 500 HG23 VAL 7 2HG2 VAL 7 12.181 16.756 -4.965 501 H ASP 8 H ASP 8 11.921 14.758 -6.589 502 HA ASP 8 HA ASP 8 12.510 13.925 -8.584 503 HB2 ASP 8 1HB ASP 8 12.543 11.122 -7.402 504 HB3 ASP 8 2HB ASP 8 12.991 11.558 -9.034 505 H SER 9 H SER 9 10.534 11.083 -7.730 506 HA SER 9 HA SER 9 8.120 11.896 -9.077 507 HB2 SER 9 1HB SER 9 10.097 10.198 -10.665 508 HB3 SER 9 2HB SER 9 8.389 10.439 -11.070 509 HG SER 9 HG SER 9 10.459 12.382 -11.013 510 H TYR 10 H TYR 10 7.194 9.544 -9.869 511 HA TYR 10 HA TYR 10 5.821 8.621 -7.742 512 HB2 TYR 10 1HB TYR 10 6.729 7.093 -10.207 513 HB3 TYR 10 2HB TYR 10 5.659 6.410 -9.051 514 HD1 TYR 10 2HD TYR 10 5.966 9.057 -11.621 515 HD2 TYR 10 1HD TYR 10 3.363 7.130 -8.766 516 HE1 TYR 10 2HE TYR 10 3.990 9.969 -12.811 517 HE2 TYR 10 1HE TYR 10 1.393 8.070 -9.927 518 HH TYR 10 HH TYR 10 1.687 10.026 -12.915 519 H ASP 11 H ASP 11 6.115 7.434 -6.013 520 HA ASP 11 HA ASP 11 8.610 5.925 -5.478 521 HB2 ASP 11 1HB ASP 11 8.351 7.704 -3.972 522 HB3 ASP 11 2HB ASP 11 6.626 7.451 -3.789 523 H VAL 12 H VAL 12 8.371 3.855 -6.094 524 HA VAL 12 HA VAL 12 5.917 2.358 -5.373 525 HB VAL 12 HB VAL 12 8.442 1.213 -6.589 526 HG11 VAL 12 1HG1 VAL 12 6.714 -0.521 -7.326 527 HG12 VAL 12 2HG1 VAL 12 7.019 -0.486 -5.588 528 HG13 VAL 12 3HG1 VAL 12 5.553 0.263 -6.271 529 HG21 VAL 12 3HG2 VAL 12 5.948 1.965 -8.149 530 HG22 VAL 12 1HG2 VAL 12 7.420 2.943 -8.103 531 HG23 VAL 12 2HG2 VAL 12 7.477 1.313 -8.777 532 H THR 13 H THR 13 5.823 1.176 -3.611 533 HA THR 13 HA THR 13 8.330 0.149 -2.361 534 HB THR 13 HB THR 13 6.005 1.198 -0.726 535 HG1 THR 13 1HG THR 13 7.518 2.814 -1.691 536 HG21 THR 13 3HG2 THR 13 7.058 -0.696 0.367 537 HG22 THR 13 1HG2 THR 13 8.671 -0.030 0.054 538 HG23 THR 13 2HG2 THR 13 7.569 0.790 1.181 539 H MET 14 H MET 14 8.097 -1.801 -3.346 540 HA MET 14 HA MET 14 5.487 -3.210 -3.006 541 HB2 MET 14 1HB MET 14 6.239 -2.666 -5.319 542 HB3 MET 14 2HB MET 14 7.633 -3.726 -5.088 543 HG2 MET 14 1HG MET 14 6.237 -5.650 -4.868 544 HG3 MET 14 2HG MET 14 4.787 -4.670 -4.614 545 HE1 MET 14 3HE MET 14 7.368 -4.487 -7.733 546 HE2 MET 14 1HE MET 14 7.408 -5.952 -6.737 547 HE3 MET 14 2HE MET 14 6.736 -6.058 -8.373 548 H LEU 15 H LEU 15 5.500 -5.500 -2.628 549 HA LEU 15 HA LEU 15 7.828 -6.475 -1.083 550 HB2 LEU 15 1HB LEU 15 5.785 -5.044 0.041 551 HB3 LEU 15 2HB LEU 15 5.123 -6.670 0.176 552 HG LEU 15 HG LEU 15 7.888 -5.810 1.165 553 HD11 LEU 15 1HD1 LEU 15 5.264 -6.275 2.666 554 HD12 LEU 15 2HD1 LEU 15 6.823 -5.861 3.401 555 HD13 LEU 15 3HD1 LEU 15 6.003 -4.688 2.359 556 HD21 LEU 15 3HD2 LEU 15 7.776 -8.265 0.793 557 HD22 LEU 15 1HD2 LEU 15 7.768 -7.900 2.512 558 HD23 LEU 15 2HD2 LEU 15 6.256 -8.350 1.698 559 H LEU 16 H LEU 16 8.263 -8.455 -1.487 560 HA LEU 16 HA LEU 16 6.276 -10.290 -2.774 561 HB2 LEU 16 1HB LEU 16 9.281 -9.935 -3.148 562 HB3 LEU 16 2HB LEU 16 8.374 -11.237 -3.835 563 HG LEU 16 HG LEU 16 8.626 -9.893 -5.622 564 HD11 LEU 16 1HD1 LEU 16 6.013 -8.734 -4.633 565 HD12 LEU 16 2HD1 LEU 16 6.570 -8.855 -6.310 566 HD13 LEU 16 3HD1 LEU 16 6.199 -10.330 -5.411 567 HD21 LEU 16 3HD2 LEU 16 9.638 -8.017 -4.427 568 HD22 LEU 16 1HD2 LEU 16 8.555 -7.526 -5.734 569 HD23 LEU 16 2HD2 LEU 16 8.019 -7.381 -4.048 570 H GLN 17 H GLN 17 7.148 -12.611 -2.623 571 HA GLN 17 HA GLN 17 8.521 -13.163 -0.051 572 HB2 GLN 17 1HB GLN 17 6.104 -13.383 0.336 573 HB3 GLN 17 2HB GLN 17 5.986 -14.576 -0.956 574 HG2 GLN 17 1HG GLN 17 7.358 -16.147 0.272 575 HG3 GLN 17 2HG GLN 17 7.791 -14.916 1.464 576 HE21 GLN 17 1HE2 GLN 17 4.772 -16.703 0.112 577 HE22 GLN 17 2HE2 GLN 17 4.069 -16.605 1.717 578 H ASP 18 H ASP 18 10.182 -14.406 -0.310 579 HA ASP 18 HA ASP 18 10.913 -15.519 -2.864 580 HB2 ASP 18 1HB ASP 18 12.459 -14.499 -1.127 581 HB3 ASP 18 2HB ASP 18 12.115 -15.878 -0.082 582 H ASP 19 H ASP 19 11.689 -17.780 -3.067 583 HA ASP 19 HA ASP 19 9.802 -19.856 -2.612 584 HB2 ASP 19 1HB ASP 19 11.497 -19.835 -4.389 585 HB3 ASP 19 2HB ASP 19 12.790 -19.855 -3.194 586 H ASP 20 H ASP 20 12.605 -18.772 -0.633 587 HA ASP 20 HA ASP 20 12.352 -20.955 1.300 588 HB2 ASP 20 1HB ASP 20 13.796 -18.279 1.373 589 HB3 ASP 20 2HB ASP 20 13.876 -19.446 2.685 590 H GLY 21 H GLY 21 10.176 -18.516 0.667 591 HA2 GLY 21 1HA GLY 21 8.319 -17.846 1.815 592 HA3 GLY 21 2HA GLY 21 8.876 -18.683 3.265 593 H LYS 22 H LYS 22 11.296 -16.654 2.073 594 HA LYS 22 HA LYS 22 10.965 -14.741 4.287 595 HB2 LYS 22 1HB LYS 22 13.100 -15.021 2.124 596 HB3 LYS 22 2HB LYS 22 13.080 -13.722 3.325 597 HG2 LYS 22 1HG LYS 22 13.062 -15.391 5.166 598 HG3 LYS 22 2HG LYS 22 13.144 -16.706 3.989 599 HD2 LYS 22 1HD LYS 22 15.341 -15.939 3.194 600 HD3 LYS 22 2HD LYS 22 15.193 -14.438 4.098 601 HE2 LYS 22 1HE LYS 22 16.656 -15.787 5.382 602 HE3 LYS 22 2HE LYS 22 15.115 -15.770 6.236 603 HZ1 LYS 22 3HZ LYS 22 16.062 -18.032 6.077 604 HZ2 LYS 22 1HZ LYS 22 14.617 -17.955 5.300 605 HZ3 LYS 22 2HZ LYS 22 16.008 -17.965 4.438 606 H GLN 23 H GLN 23 9.904 -12.919 4.184 607 HA GLN 23 HA GLN 23 8.941 -11.873 1.630 608 HB2 GLN 23 1HB GLN 23 8.475 -11.136 4.529 609 HB3 GLN 23 2HB GLN 23 7.947 -10.089 3.203 610 HG2 GLN 23 1HG GLN 23 6.732 -11.985 2.136 611 HG3 GLN 23 2HG GLN 23 7.252 -13.060 3.435 612 HE21 GLN 23 1HE2 GLN 23 4.984 -13.540 3.688 613 HE22 GLN 23 2HE2 GLN 23 3.994 -12.368 4.611 614 H TYR 24 H TYR 24 9.719 -10.235 0.514 615 HA TYR 24 HA TYR 24 11.910 -8.634 1.722 616 HB2 TYR 24 1HB TYR 24 13.383 -8.960 -0.095 617 HB3 TYR 24 2HB TYR 24 12.928 -10.525 0.521 618 HD1 TYR 24 1HD TYR 24 12.609 -8.172 -2.346 619 HD2 TYR 24 2HD TYR 24 11.661 -12.118 -0.864 620 HE1 TYR 24 1HE TYR 24 12.185 -8.932 -4.649 621 HE2 TYR 24 2HE TYR 24 11.241 -12.887 -3.201 622 HH TYR 24 HH TYR 24 11.355 -12.376 -5.519 623 H TYR 25 H TYR 25 12.172 -6.629 1.069 624 HA TYR 25 HA TYR 25 9.863 -5.329 -0.209 625 HB2 TYR 25 1HB TYR 25 12.299 -4.352 1.326 626 HB3 TYR 25 2HB TYR 25 11.212 -3.255 0.515 627 HD1 TYR 25 2HD TYR 25 11.427 -5.766 3.242 628 HD2 TYR 25 1HD TYR 25 9.057 -2.667 1.457 629 HE1 TYR 25 2HE TYR 25 9.978 -5.731 5.268 630 HE2 TYR 25 1HE TYR 25 7.619 -2.585 3.470 631 HH TYR 25 HH TYR 25 7.329 -3.309 5.655 632 H GLU 26 H GLU 26 9.973 -3.988 -1.857 633 HA GLU 26 HA GLU 26 12.471 -3.573 -3.433 634 HB2 GLU 26 1HB GLU 26 9.700 -4.413 -4.356 635 HB3 GLU 26 2HB GLU 26 10.875 -3.714 -5.452 636 HG2 GLU 26 1HG GLU 26 11.248 -6.294 -3.857 637 HG3 GLU 26 2HG GLU 26 10.789 -6.187 -5.554 638 H TYR 27 H TYR 27 12.534 -1.658 -2.132 639 HA TYR 27 HA TYR 27 10.669 0.571 -2.528 640 HB2 TYR 27 1HB TYR 27 13.517 0.367 -1.448 641 HB3 TYR 27 2HB TYR 27 12.628 1.870 -1.576 642 HD1 TYR 27 1HD TYR 27 10.710 2.377 -0.122 643 HD2 TYR 27 2HD TYR 27 12.942 -1.299 0.292 644 HE1 TYR 27 1HE TYR 27 9.799 2.070 2.169 645 HE2 TYR 27 2HE TYR 27 12.007 -1.620 2.561 646 HH TYR 27 HH TYR 27 10.716 -0.721 4.214 647 H HIS 28 H HIS 28 10.521 1.573 -4.445 648 HA HIS 28 HA HIS 28 12.984 2.259 -5.965 649 HB2 HIS 28 1HB HIS 28 10.587 0.857 -7.214 650 HB3 HIS 28 2HB HIS 28 11.922 1.588 -8.103 651 HD1 HIS 28 1HD HIS 28 14.361 0.393 -7.814 652 HD2 HIS 28 2HD HIS 28 10.962 -1.574 -6.234 653 HE1 HIS 28 1HE HIS 28 15.058 -2.078 -7.379 654 HE2 HIS 28 2HE HIS 28 13.022 -3.262 -6.435 655 H LYS 29 H LYS 29 12.817 4.428 -5.643 656 HA LYS 29 HA LYS 29 10.318 5.743 -6.588 657 HB2 LYS 29 1HB LYS 29 10.573 7.469 -4.993 658 HB3 LYS 29 2HB LYS 29 10.810 5.963 -4.135 659 HG2 LYS 29 1HG LYS 29 12.598 7.018 -3.243 660 HG3 LYS 29 2HG LYS 29 13.421 6.518 -4.713 661 HD2 LYS 29 1HD LYS 29 12.950 8.754 -5.735 662 HD3 LYS 29 2HD LYS 29 12.026 9.217 -4.296 663 HE2 LYS 29 1HE LYS 29 14.057 8.915 -2.911 664 HE3 LYS 29 2HE LYS 29 14.987 8.479 -4.355 665 HZ1 LYS 29 3HZ LYS 29 15.221 10.857 -3.737 666 HZ2 LYS 29 1HZ LYS 29 14.532 10.750 -5.219 667 HZ3 LYS 29 2HZ LYS 29 13.601 11.071 -3.898 668 H GLY 30 H GLY 30 10.577 7.975 -7.361 669 HA2 GLY 30 1HA GLY 30 11.576 9.548 -8.755 670 HA3 GLY 30 2HA GLY 30 13.141 8.759 -8.528 671 H LEU 31 H LEU 31 10.060 7.423 -9.763 672 HA LEU 31 HA LEU 31 11.147 7.208 -12.492 673 HB2 LEU 31 1HB LEU 31 10.552 4.800 -12.640 674 HB3 LEU 31 2HB LEU 31 11.878 5.172 -11.581 675 HG LEU 31 HG LEU 31 10.434 4.877 -9.595 676 HD11 LEU 31 1HD1 LEU 31 8.324 3.610 -11.381 677 HD12 LEU 31 2HD1 LEU 31 8.337 3.949 -9.625 678 HD13 LEU 31 3HD1 LEU 31 8.157 5.260 -10.743 679 HD21 LEU 31 3HD2 LEU 31 10.235 2.373 -11.286 680 HD22 LEU 31 1HD2 LEU 31 11.812 3.022 -10.794 681 HD23 LEU 31 2HD2 LEU 31 10.616 2.574 -9.560 682 H SER 32 H SER 32 8.955 5.720 -13.601 683 HA SER 32 HA SER 32 6.583 7.166 -12.629 684 HB2 SER 32 1HB SER 32 6.056 8.254 -14.629 685 HB3 SER 32 2HB SER 32 7.772 8.544 -14.434 686 HG SER 32 HG SER 32 8.195 6.776 -15.885 687 H LEU 33 H LEU 33 4.671 6.521 -14.337 688 HA LEU 33 HA LEU 33 3.987 4.038 -13.241 689 HB2 LEU 33 1HB LEU 33 2.778 5.501 -15.616 690 HB3 LEU 33 2HB LEU 33 2.016 4.143 -14.803 691 HG LEU 33 HG LEU 33 2.684 6.826 -13.507 692 HD11 LEU 33 1HD1 LEU 33 0.798 6.890 -15.129 693 HD12 LEU 33 2HD1 LEU 33 0.011 5.564 -14.253 694 HD13 LEU 33 3HD1 LEU 33 0.251 7.141 -13.465 695 HD21 LEU 33 3HD2 LEU 33 2.792 5.018 -11.822 696 HD22 LEU 33 1HD2 LEU 33 1.357 6.004 -11.587 697 HD23 LEU 33 2HD2 LEU 33 1.207 4.409 -12.371 698 H SER 34 H SER 34 5.265 4.566 -16.566 699 HA SER 34 HA SER 34 4.869 1.863 -17.419 700 HB2 SER 34 1HB SER 34 6.514 2.549 -19.168 701 HB3 SER 34 2HB SER 34 5.167 3.691 -18.986 702 HG SER 34 HG SER 34 7.168 4.816 -19.065 703 H ASP 35 H ASP 35 7.416 3.473 -15.530 704 HA ASP 35 HA ASP 35 9.323 1.254 -15.685 705 HB2 ASP 35 1HB ASP 35 9.155 3.692 -13.878 706 HB3 ASP 35 2HB ASP 35 10.529 2.599 -13.976 707 H PHE 36 H PHE 36 6.857 2.438 -13.424 708 HA PHE 36 HA PHE 36 7.218 0.438 -11.363 709 HB2 PHE 36 1HB PHE 36 5.880 2.244 -10.717 710 HB3 PHE 36 2HB PHE 36 5.003 2.284 -12.232 711 HD1 PHE 36 1HD PHE 36 5.614 -0.289 -9.547 712 HD2 PHE 36 2HD PHE 36 2.762 1.586 -12.193 713 HE1 PHE 36 1HE PHE 36 3.909 -1.900 -8.852 714 HE2 PHE 36 2HE PHE 36 0.992 0.073 -11.354 715 HZ PHE 36 HZ PHE 36 1.547 -1.675 -9.675 716 H GLU 37 H GLU 37 5.141 0.496 -14.343 717 HA GLU 37 HA GLU 37 4.072 -2.098 -14.057 718 HB2 GLU 37 1HB GLU 37 4.586 -0.286 -16.423 719 HB3 GLU 37 2HB GLU 37 3.891 -1.895 -16.634 720 HG2 GLU 37 1HG GLU 37 2.042 -1.388 -15.132 721 HG3 GLU 37 2HG GLU 37 2.769 0.151 -14.696 722 H VAL 38 H VAL 38 7.261 -1.165 -15.294 723 HA VAL 38 HA VAL 38 8.018 -3.789 -16.265 724 HB VAL 38 HB VAL 38 9.692 -1.461 -15.261 725 HG11 VAL 38 1HG1 VAL 38 11.028 -3.516 -14.922 726 HG12 VAL 38 2HG1 VAL 38 10.661 -4.034 -16.578 727 HG13 VAL 38 3HG1 VAL 38 11.645 -2.588 -16.284 728 HG21 VAL 38 3HG2 VAL 38 9.421 -2.565 -18.077 729 HG22 VAL 38 1HG2 VAL 38 8.366 -1.284 -17.475 730 HG23 VAL 38 2HG2 VAL 38 10.115 -1.000 -17.550 731 H LEU 39 H LEU 39 8.514 -2.183 -13.091 732 HA LEU 39 HA LEU 39 9.806 -4.355 -11.781 733 HB2 LEU 39 1HB LEU 39 9.741 -1.970 -11.006 734 HB3 LEU 39 2HB LEU 39 8.037 -2.148 -10.661 735 HG LEU 39 HG LEU 39 8.675 -4.093 -9.114 736 HD11 LEU 39 1HD1 LEU 39 10.878 -4.067 -8.095 737 HD12 LEU 39 2HD1 LEU 39 10.949 -4.533 -9.781 738 HD13 LEU 39 3HD1 LEU 39 11.444 -2.891 -9.310 739 HD21 LEU 39 3HD2 LEU 39 9.547 -1.251 -8.428 740 HD22 LEU 39 1HD2 LEU 39 7.905 -1.909 -8.346 741 HD23 LEU 39 2HD2 LEU 39 9.139 -2.523 -7.244 742 H TYR 40 H TYR 40 6.371 -3.424 -11.797 743 HA TYR 40 HA TYR 40 5.256 -5.565 -10.284 744 HB2 TYR 40 1HB TYR 40 4.103 -3.501 -10.608 745 HB3 TYR 40 2HB TYR 40 4.225 -3.606 -12.343 746 HD1 TYR 40 1HD TYR 40 2.555 -5.209 -9.382 747 HD2 TYR 40 2HD TYR 40 2.530 -4.575 -13.645 748 HE1 TYR 40 1HE TYR 40 0.238 -6.135 -9.509 749 HE2 TYR 40 2HE TYR 40 0.258 -5.501 -13.781 750 HH TYR 40 HH TYR 40 -1.581 -6.075 -12.696 751 H GLY 41 H GLY 41 5.836 -5.277 -13.861 752 HA2 GLY 41 1HA GLY 41 4.539 -7.785 -14.466 753 HA3 GLY 41 2HA GLY 41 5.522 -6.806 -15.542 754 H ASN 42 H ASN 42 7.889 -6.990 -13.555 755 HA ASN 42 HA ASN 42 8.883 -9.568 -14.617 756 HB2 ASN 42 1HB ASN 42 10.165 -7.017 -13.569 757 HB3 ASN 42 2HB ASN 42 11.093 -8.488 -13.727 758 HD21 ASN 42 1HD2 ASN 42 9.349 -6.013 -15.517 759 HD22 ASN 42 2HD2 ASN 42 10.003 -6.538 -17.102 760 H THR 43 H THR 43 8.411 -8.008 -11.437 761 HA THR 43 HA THR 43 10.341 -9.745 -10.227 762 HB THR 43 HB THR 43 8.350 -8.120 -8.627 763 HG1 THR 43 1HG THR 43 9.040 -6.470 -9.754 764 HG21 THR 43 3HG2 THR 43 11.297 -8.891 -8.278 765 HG22 THR 43 1HG2 THR 43 10.372 -7.879 -7.162 766 HG23 THR 43 2HG2 THR 43 9.942 -9.586 -7.387 767 H ALA 44 H ALA 44 6.837 -9.668 -9.986 768 HA ALA 44 HA ALA 44 5.197 -11.176 -9.579 769 HB1 ALA 44 3HB ALA 44 7.224 -12.910 -11.031 770 HB2 ALA 44 1HB ALA 44 5.468 -13.143 -11.039 771 HB3 ALA 44 2HB ALA 44 6.171 -11.701 -11.791 772 H ASP 45 H ASP 45 7.885 -11.848 -7.670 773 HA ASP 45 HA ASP 45 7.289 -14.412 -6.707 774 HB2 ASP 45 1HB ASP 45 9.067 -12.183 -5.909 775 HB3 ASP 45 2HB ASP 45 8.704 -13.313 -4.627 776 H GLU 46 H GLU 46 5.101 -14.415 -6.490 777 HA GLU 46 HA GLU 46 3.166 -14.785 -5.314 778 HB2 GLU 46 1HB GLU 46 4.985 -14.477 -2.925 779 HB3 GLU 46 2HB GLU 46 3.290 -14.907 -2.812 780 HG2 GLU 46 1HG GLU 46 3.697 -16.869 -4.341 781 HG3 GLU 46 2HG GLU 46 5.416 -16.486 -4.349 782 H ILE 47 H ILE 47 4.707 -11.841 -4.736 783 HA ILE 47 HA ILE 47 4.101 -9.767 -4.159 784 HB ILE 47 HB ILE 47 3.769 -9.622 -6.428 785 HG12 ILE 47 1HG1 ILE 47 1.834 -8.090 -6.799 786 HG13 ILE 47 2HG1 ILE 47 1.170 -8.531 -5.240 787 HG21 ILE 47 1HG2 ILE 47 1.698 -10.331 -7.613 788 HG22 ILE 47 2HG2 ILE 47 2.589 -11.672 -6.905 789 HG23 ILE 47 3HG2 ILE 47 1.148 -11.075 -6.076 790 HD11 ILE 47 3HD1 ILE 47 3.301 -6.642 -5.934 791 HD12 ILE 47 1HD1 ILE 47 2.255 -6.705 -4.486 792 HD13 ILE 47 2HD1 ILE 47 3.743 -7.669 -4.560 793 H ILE 48 H ILE 48 3.650 -9.175 -2.292 794 HA ILE 48 HA ILE 48 1.362 -10.267 -0.815 795 HB ILE 48 HB ILE 48 4.099 -9.306 0.137 796 HG12 ILE 48 1HG1 ILE 48 4.500 -11.258 -1.233 797 HG13 ILE 48 2HG1 ILE 48 4.772 -11.624 0.454 798 HG21 ILE 48 1HG2 ILE 48 3.512 -10.545 2.235 799 HG22 ILE 48 2HG2 ILE 48 2.463 -9.163 1.918 800 HG23 ILE 48 3HG2 ILE 48 1.878 -10.800 1.576 801 HD11 ILE 48 3HD1 ILE 48 2.960 -13.096 0.576 802 HD12 ILE 48 1HD1 ILE 48 2.089 -12.298 -0.759 803 HD13 ILE 48 2HD1 ILE 48 3.511 -13.301 -1.106 804 H LYS 49 H LYS 49 3.421 -7.336 -1.243 805 HA LYS 49 HA LYS 49 0.979 -5.761 -0.855 806 HB2 LYS 49 1HB LYS 49 3.463 -4.949 0.700 807 HB3 LYS 49 2HB LYS 49 1.903 -4.140 0.669 808 HG2 LYS 49 1HG LYS 49 0.892 -6.205 1.760 809 HG3 LYS 49 2HG LYS 49 2.546 -6.830 1.932 810 HD2 LYS 49 1HD LYS 49 3.124 -4.676 3.144 811 HD3 LYS 49 2HD LYS 49 1.411 -4.273 3.138 812 HE2 LYS 49 1HE LYS 49 2.706 -6.738 4.408 813 HE3 LYS 49 2HE LYS 49 2.157 -5.290 5.261 814 HZ1 LYS 49 3HZ LYS 49 0.413 -7.281 3.878 815 HZ2 LYS 49 1HZ LYS 49 0.385 -6.821 5.466 816 HZ3 LYS 49 2HZ LYS 49 -0.121 -5.811 4.235 817 H LEU 50 H LEU 50 1.144 -3.646 -1.611 818 HA LEU 50 HA LEU 50 3.523 -2.755 -3.145 819 HB2 LEU 50 1HB LEU 50 2.482 -4.092 -4.823 820 HB3 LEU 50 2HB LEU 50 0.877 -3.640 -4.275 821 HG LEU 50 HG LEU 50 1.055 -1.422 -5.227 822 HD11 LEU 50 1HD1 LEU 50 3.076 -1.343 -6.970 823 HD12 LEU 50 2HD1 LEU 50 3.138 -0.620 -5.362 824 HD13 LEU 50 3HD1 LEU 50 3.901 -2.212 -5.646 825 HD21 LEU 50 3HD2 LEU 50 0.190 -3.408 -6.494 826 HD22 LEU 50 1HD2 LEU 50 0.832 -2.118 -7.506 827 HD23 LEU 50 2HD2 LEU 50 1.806 -3.585 -7.217 828 H ARG 51 H ARG 51 3.781 -0.688 -2.536 829 HA ARG 51 HA ARG 51 1.325 1.018 -2.430 830 HB2 ARG 51 1HB ARG 51 2.710 0.803 -0.293 831 HB3 ARG 51 2HB ARG 51 4.026 1.582 -1.175 832 HG2 ARG 51 1HG ARG 51 2.663 3.613 -1.522 833 HG3 ARG 51 2HG ARG 51 1.267 2.813 -0.791 834 HD2 ARG 51 1HD ARG 51 2.253 4.251 0.871 835 HD3 ARG 51 2HD ARG 51 2.554 2.570 1.329 836 HE ARG 51 HE ARG 51 4.695 3.989 -0.179 837 HH11 ARG 51 2HH2 ARG 51 3.643 2.901 2.972 838 HH12 ARG 51 1HH2 ARG 51 5.210 3.054 3.702 839 HH21 ARG 51 1HH1 ARG 51 6.731 4.152 0.732 840 HH22 ARG 51 2HH1 ARG 51 6.952 3.782 2.411 841 H LEU 52 H LEU 52 1.302 2.801 -3.703 842 HA LEU 52 HA LEU 52 3.773 3.617 -5.068 843 HB2 LEU 52 1HB LEU 52 2.462 2.194 -6.704 844 HB3 LEU 52 2HB LEU 52 1.135 3.337 -6.469 845 HG LEU 52 HG LEU 52 2.359 5.151 -7.445 846 HD11 LEU 52 1HD1 LEU 52 4.656 3.562 -7.070 847 HD12 LEU 52 2HD1 LEU 52 4.372 3.555 -8.831 848 HD13 LEU 52 3HD1 LEU 52 4.514 5.093 -7.930 849 HD21 LEU 52 3HD2 LEU 52 2.127 4.349 -9.739 850 HD22 LEU 52 1HD2 LEU 52 2.165 2.661 -9.193 851 HD23 LEU 52 2HD2 LEU 52 0.813 3.717 -8.750 852 H ASP 53 H ASP 53 3.956 5.780 -5.215 853 HA ASP 53 HA ASP 53 1.787 7.586 -4.241 854 HB2 ASP 53 1HB ASP 53 3.037 6.715 -2.316 855 HB3 ASP 53 2HB ASP 53 4.571 7.135 -3.060 856 H LYS 54 H LYS 54 1.630 9.117 -5.847 857 HA LYS 54 HA LYS 54 3.928 9.719 -7.591 858 HB2 LYS 54 1HB LYS 54 1.545 9.874 -8.327 859 HB3 LYS 54 2HB LYS 54 1.387 11.212 -7.195 860 HG2 LYS 54 1HG LYS 54 3.250 12.418 -8.399 861 HG3 LYS 54 2HG LYS 54 3.291 11.103 -9.575 862 HD2 LYS 54 1HD LYS 54 0.898 11.620 -10.162 863 HD3 LYS 54 2HD LYS 54 0.914 12.910 -8.933 864 HE2 LYS 54 1HE LYS 54 3.061 13.733 -10.173 865 HE3 LYS 54 2HE LYS 54 2.517 12.720 -11.508 866 HZ1 LYS 54 3HZ LYS 54 0.451 14.027 -11.605 867 HZ2 LYS 54 1HZ LYS 54 0.905 14.870 -10.243 868 HZ3 LYS 54 2HZ LYS 54 1.732 15.044 -11.653 869 H VAL 55 H VAL 55 5.592 10.321 -6.349 870 HA VAL 55 HA VAL 55 5.583 12.693 -4.673 871 HB VAL 55 HB VAL 55 8.010 11.737 -6.198 872 HG11 VAL 55 1HG1 VAL 55 7.614 13.027 -3.468 873 HG12 VAL 55 2HG1 VAL 55 9.165 12.435 -4.097 874 HG13 VAL 55 3HG1 VAL 55 8.363 13.773 -4.903 875 HG21 VAL 55 3HG2 VAL 55 6.922 10.510 -3.614 876 HG22 VAL 55 1HG2 VAL 55 7.079 9.675 -5.172 877 HG23 VAL 55 2HG2 VAL 55 8.524 10.181 -4.320 878 H LEU 56 H LEU 56 6.374 14.700 -5.210 879 HA LEU 56 HA LEU 56 6.378 15.624 -8.025 880 HB2 LEU 56 1HB LEU 56 4.056 15.505 -6.836 881 HB3 LEU 56 2HB LEU 56 4.632 16.718 -5.745 882 HG LEU 56 HG LEU 56 3.173 17.570 -7.543 883 HD11 LEU 56 1HD1 LEU 56 4.455 19.582 -8.131 884 HD12 LEU 56 2HD1 LEU 56 4.852 19.108 -6.475 885 HD13 LEU 56 3HD1 LEU 56 5.978 18.768 -7.793 886 HD21 LEU 56 3HD2 LEU 56 3.499 17.321 -9.803 887 HD22 LEU 56 1HD2 LEU 56 5.270 17.439 -9.645 888 HD23 LEU 56 2HD2 LEU 56 4.446 15.905 -9.296 Start of MODEL 8 1 H1 MET 1 1H MET 1 -19.911 -11.280 9.296 2 H2 MET 1 2H MET 1 -19.755 -9.940 10.241 3 H3 MET 1 3H MET 1 -20.181 -11.393 10.933 4 HA MET 1 HA MET 1 -17.927 -11.098 11.443 5 HB2 MET 1 1HB MET 1 -18.721 -13.206 9.492 6 HB3 MET 1 2HB MET 1 -16.985 -12.847 9.521 7 HG2 MET 1 1HG MET 1 -18.589 -13.310 12.084 8 HG3 MET 1 2HG MET 1 -17.584 -14.522 11.275 9 HE1 MET 1 3HE MET 1 -16.427 -14.043 14.301 10 HE2 MET 1 1HE MET 1 -16.241 -15.104 12.874 11 HE3 MET 1 2HE MET 1 -14.817 -14.271 13.545 12 H VAL 2 H VAL 2 -15.868 -10.423 11.002 13 HA VAL 2 HA VAL 2 -15.594 -8.496 8.810 14 HB VAL 2 HB VAL 2 -13.657 -9.458 10.970 15 HG11 VAL 2 1HG1 VAL 2 -13.436 -7.180 8.952 16 HG12 VAL 2 2HG1 VAL 2 -12.356 -7.388 10.351 17 HG13 VAL 2 3HG1 VAL 2 -12.373 -8.606 9.073 18 HG21 VAL 2 3HG2 VAL 2 -15.278 -6.872 10.703 19 HG22 VAL 2 1HG2 VAL 2 -15.650 -8.202 11.838 20 HG23 VAL 2 2HG2 VAL 2 -14.143 -7.278 12.030 21 H GLN 3 H GLN 3 -14.311 -11.677 9.700 22 HA GLN 3 HA GLN 3 -12.726 -12.197 7.371 23 HB2 GLN 3 1HB GLN 3 -14.022 -13.808 9.562 24 HB3 GLN 3 2HB GLN 3 -13.550 -14.655 8.081 25 HG2 GLN 3 1HG GLN 3 -11.233 -13.713 8.197 26 HG3 GLN 3 2HG GLN 3 -11.628 -12.886 9.713 27 HE21 GLN 3 1HE2 GLN 3 -10.071 -15.601 8.562 28 HE22 GLN 3 2HE2 GLN 3 -10.369 -16.630 9.954 29 H ASN 4 H ASN 4 -13.180 -13.026 5.479 30 HA ASN 4 HA ASN 4 -14.266 -13.467 3.576 31 HB2 ASN 4 1HB ASN 4 -15.056 -15.462 4.883 32 HB3 ASN 4 2HB ASN 4 -16.537 -14.577 5.255 33 HD21 ASN 4 1HD2 ASN 4 -14.593 -14.947 2.036 34 HD22 ASN 4 2HD2 ASN 4 -16.096 -15.545 1.336 35 H ASP 5 H ASP 5 -14.752 -10.888 5.160 36 HA ASP 5 HA ASP 5 -16.871 -9.857 3.320 37 HB2 ASP 5 1HB ASP 5 -17.886 -10.230 5.534 38 HB3 ASP 5 2HB ASP 5 -16.633 -9.225 6.278 39 H PHE 6 H PHE 6 -14.801 -8.430 5.813 40 HA PHE 6 HA PHE 6 -13.653 -6.555 3.782 41 HB2 PHE 6 1HB PHE 6 -14.605 -5.832 6.098 42 HB3 PHE 6 2HB PHE 6 -13.090 -6.452 6.745 43 HD1 PHE 6 2HD PHE 6 -10.908 -5.343 6.075 44 HD2 PHE 6 1HD PHE 6 -14.731 -3.840 4.746 45 HE1 PHE 6 2HE PHE 6 -9.839 -3.208 5.387 46 HE2 PHE 6 1HE PHE 6 -13.641 -1.713 4.042 47 HZ PHE 6 HZ PHE 6 -11.205 -1.390 4.393 48 H VAL 7 H VAL 7 -12.853 -9.304 5.755 49 HA VAL 7 HA VAL 7 -10.007 -9.256 4.835 50 HB VAL 7 HB VAL 7 -11.246 -10.309 7.399 51 HG11 VAL 7 1HG1 VAL 7 -8.961 -10.904 8.092 52 HG12 VAL 7 2HG1 VAL 7 -9.405 -11.833 6.659 53 HG13 VAL 7 3HG1 VAL 7 -8.329 -10.427 6.509 54 HG21 VAL 7 3HG2 VAL 7 -9.753 -8.616 8.451 55 HG22 VAL 7 1HG2 VAL 7 -9.198 -8.102 6.843 56 HG23 VAL 7 2HG2 VAL 7 -10.880 -7.839 7.334 57 H ASP 8 H ASP 8 -10.181 -10.363 2.986 58 HA ASP 8 HA ASP 8 -10.886 -13.249 3.149 59 HB2 ASP 8 1HB ASP 8 -12.944 -12.015 2.459 60 HB3 ASP 8 2HB ASP 8 -12.082 -11.312 1.105 61 H SER 9 H SER 9 -10.142 -10.869 0.656 62 HA SER 9 HA SER 9 -7.696 -12.290 -0.265 63 HB2 SER 9 1HB SER 9 -10.036 -11.589 -2.082 64 HB3 SER 9 2HB SER 9 -8.512 -12.370 -2.529 65 HG SER 9 HG SER 9 -10.691 -13.478 -0.952 66 H TYR 10 H TYR 10 -7.109 -10.836 -2.430 67 HA TYR 10 HA TYR 10 -5.532 -8.915 -1.311 68 HB2 TYR 10 1HB TYR 10 -6.496 -9.146 -4.152 69 HB3 TYR 10 2HB TYR 10 -5.431 -7.856 -3.655 70 HD1 TYR 10 2HD TYR 10 -3.177 -8.223 -2.880 71 HD2 TYR 10 1HD TYR 10 -5.627 -11.532 -4.154 72 HE1 TYR 10 2HE TYR 10 -1.159 -9.643 -3.017 73 HE2 TYR 10 1HE TYR 10 -3.587 -12.975 -4.279 74 HH TYR 10 HH TYR 10 -0.308 -11.738 -3.350 75 H ASP 11 H ASP 11 -5.505 -6.984 -0.663 76 HA ASP 11 HA ASP 11 -8.026 -5.427 -0.416 77 HB2 ASP 11 1HB ASP 11 -7.235 -6.430 1.627 78 HB3 ASP 11 2HB ASP 11 -5.592 -5.874 1.334 79 H VAL 12 H VAL 12 -7.981 -4.049 -2.139 80 HA VAL 12 HA VAL 12 -5.550 -2.477 -2.745 81 HB VAL 12 HB VAL 12 -8.155 -2.861 -4.250 82 HG11 VAL 12 1HG1 VAL 12 -7.397 -0.614 -4.757 83 HG12 VAL 12 2HG1 VAL 12 -5.746 -1.213 -5.067 84 HG13 VAL 12 3HG1 VAL 12 -7.103 -1.691 -6.119 85 HG21 VAL 12 3HG2 VAL 12 -5.308 -3.688 -4.865 86 HG22 VAL 12 1HG2 VAL 12 -6.548 -4.793 -4.251 87 HG23 VAL 12 2HG2 VAL 12 -6.747 -4.051 -5.849 88 H THR 13 H THR 13 -5.425 -0.327 -2.561 89 HA THR 13 HA THR 13 -7.832 1.290 -1.895 90 HB THR 13 HB THR 13 -5.251 1.495 -0.265 91 HG1 THR 13 1HG THR 13 -7.573 0.030 0.099 92 HG21 THR 13 3HG2 THR 13 -8.006 2.785 0.035 93 HG22 THR 13 1HG2 THR 13 -6.681 2.907 1.210 94 HG23 THR 13 2HG2 THR 13 -6.492 3.618 -0.404 95 H MET 14 H MET 14 -7.846 2.855 -3.485 96 HA MET 14 HA MET 14 -5.174 4.046 -4.172 97 HB2 MET 14 1HB MET 14 -7.404 3.777 -6.198 98 HB3 MET 14 2HB MET 14 -5.741 4.305 -6.438 99 HG2 MET 14 1HG MET 14 -5.187 1.874 -5.502 100 HG3 MET 14 2HG MET 14 -6.830 1.545 -6.044 101 HE1 MET 14 3HE MET 14 -6.555 -0.065 -7.805 102 HE2 MET 14 1HE MET 14 -5.219 -0.139 -8.982 103 HE3 MET 14 2HE MET 14 -4.890 -0.258 -7.230 104 H LEU 15 H LEU 15 -5.100 6.127 -4.969 105 HA LEU 15 HA LEU 15 -7.468 7.801 -4.616 106 HB2 LEU 15 1HB LEU 15 -5.696 7.656 -2.615 107 HB3 LEU 15 2HB LEU 15 -4.813 8.815 -3.611 108 HG LEU 15 HG LEU 15 -7.743 9.131 -2.769 109 HD11 LEU 15 1HD1 LEU 15 -6.184 9.002 -0.848 110 HD12 LEU 15 2HD1 LEU 15 -5.196 10.289 -1.573 111 HD13 LEU 15 3HD1 LEU 15 -6.862 10.634 -1.033 112 HD21 LEU 15 3HD2 LEU 15 -5.708 11.125 -3.905 113 HD22 LEU 15 1HD2 LEU 15 -7.201 10.565 -4.701 114 HD23 LEU 15 2HD2 LEU 15 -7.297 11.538 -3.231 115 H LEU 16 H LEU 16 -7.789 8.811 -6.424 116 HA LEU 16 HA LEU 16 -5.517 9.463 -8.262 117 HB2 LEU 16 1HB LEU 16 -8.243 8.377 -9.054 118 HB3 LEU 16 2HB LEU 16 -6.941 8.809 -10.143 119 HG LEU 16 HG LEU 16 -5.919 6.828 -8.272 120 HD11 LEU 16 1HD1 LEU 16 -8.285 6.117 -7.959 121 HD12 LEU 16 2HD1 LEU 16 -8.486 6.036 -9.719 122 HD13 LEU 16 3HD1 LEU 16 -7.381 4.913 -8.899 123 HD21 LEU 16 3HD2 LEU 16 -5.434 5.579 -10.303 124 HD22 LEU 16 1HD2 LEU 16 -6.558 6.588 -11.238 125 HD23 LEU 16 2HD2 LEU 16 -5.081 7.299 -10.583 126 H GLN 17 H GLN 17 -6.111 11.117 -9.850 127 HA GLN 17 HA GLN 17 -8.107 13.065 -8.790 128 HB2 GLN 17 1HB GLN 17 -5.739 13.576 -8.293 129 HB3 GLN 17 2HB GLN 17 -5.387 13.610 -10.017 130 HG2 GLN 17 1HG GLN 17 -6.991 15.476 -10.324 131 HG3 GLN 17 2HG GLN 17 -7.424 15.400 -8.611 132 HE21 GLN 17 1HE2 GLN 17 -5.087 16.578 -10.946 133 HE22 GLN 17 2HE2 GLN 17 -4.064 17.364 -9.750 134 H ASP 18 H ASP 18 -9.693 13.481 -10.036 135 HA ASP 18 HA ASP 18 -9.947 12.631 -12.784 136 HB2 ASP 18 1HB ASP 18 -11.813 12.841 -11.131 137 HB3 ASP 18 2HB ASP 18 -11.531 14.588 -11.056 138 H ASP 19 H ASP 19 -10.405 14.120 -14.626 139 HA ASP 19 HA ASP 19 -8.321 16.011 -15.026 140 HB2 ASP 19 1HB ASP 19 -9.319 16.294 -17.204 141 HB3 ASP 19 2HB ASP 19 -9.373 14.588 -16.770 142 H ASP 20 H ASP 20 -11.495 16.486 -13.583 143 HA ASP 20 HA ASP 20 -11.472 19.416 -13.913 144 HB2 ASP 20 1HB ASP 20 -13.063 17.525 -12.131 145 HB3 ASP 20 2HB ASP 20 -13.314 19.265 -12.188 146 H GLY 21 H GLY 21 -9.471 17.362 -12.172 147 HA2 GLY 21 1HA GLY 21 -7.771 17.964 -10.679 148 HA3 GLY 21 2HA GLY 21 -8.611 19.467 -10.274 149 H LYS 22 H LYS 22 -10.723 16.851 -10.206 150 HA LYS 22 HA LYS 22 -10.965 17.097 -7.309 151 HB2 LYS 22 1HB LYS 22 -12.846 17.240 -9.000 152 HB3 LYS 22 2HB LYS 22 -12.624 15.500 -9.303 153 HG2 LYS 22 1HG LYS 22 -12.951 15.006 -6.943 154 HG3 LYS 22 2HG LYS 22 -13.233 16.742 -6.579 155 HD2 LYS 22 1HD LYS 22 -15.316 16.784 -7.521 156 HD3 LYS 22 2HD LYS 22 -14.951 15.452 -8.662 157 HE2 LYS 22 1HE LYS 22 -14.481 14.025 -6.506 158 HE3 LYS 22 2HE LYS 22 -15.500 14.950 -5.659 159 HZ1 LYS 22 3HZ LYS 22 -16.135 13.071 -7.882 160 HZ2 LYS 22 1HZ LYS 22 -16.814 13.373 -6.451 161 HZ3 LYS 22 2HZ LYS 22 -17.068 14.358 -7.641 162 H GLN 23 H GLN 23 -9.790 15.884 -5.990 163 HA GLN 23 HA GLN 23 -8.703 13.286 -6.733 164 HB2 GLN 23 1HB GLN 23 -8.665 14.925 -4.180 165 HB3 GLN 23 2HB GLN 23 -8.020 13.283 -4.288 166 HG2 GLN 23 1HG GLN 23 -6.573 13.945 -6.198 167 HG3 GLN 23 2HG GLN 23 -7.167 15.610 -6.063 168 HE21 GLN 23 1HE2 GLN 23 -4.823 16.084 -5.923 169 HE22 GLN 23 2HE2 GLN 23 -4.121 15.974 -4.280 170 H TYR 24 H TYR 24 -9.476 11.322 -6.333 171 HA TYR 24 HA TYR 24 -11.763 11.005 -4.477 172 HB2 TYR 24 1HB TYR 24 -13.049 9.777 -6.057 173 HB3 TYR 24 2HB TYR 24 -12.651 11.327 -6.765 174 HD1 TYR 24 2HD TYR 24 -11.076 11.476 -8.708 175 HD2 TYR 24 1HD TYR 24 -12.177 7.678 -6.971 176 HE1 TYR 24 2HE TYR 24 -10.341 10.305 -10.786 177 HE2 TYR 24 1HE TYR 24 -11.410 6.521 -9.020 178 HH TYR 24 HH TYR 24 -10.335 8.293 -11.995 179 H TYR 25 H TYR 25 -12.135 8.887 -3.771 180 HA TYR 25 HA TYR 25 -9.596 7.375 -3.446 181 HB2 TYR 25 1HB TYR 25 -10.201 8.873 -1.601 182 HB3 TYR 25 2HB TYR 25 -11.801 8.158 -1.510 183 HD1 TYR 25 1HD TYR 25 -8.155 7.299 -1.169 184 HD2 TYR 25 2HD TYR 25 -12.218 6.346 -0.066 185 HE1 TYR 25 1HE TYR 25 -7.319 5.870 0.699 186 HE2 TYR 25 2HE TYR 25 -11.391 4.918 1.782 187 HH TYR 25 HH TYR 25 -9.531 4.407 3.060 188 H GLU 26 H GLU 26 -9.630 5.243 -3.498 189 HA GLU 26 HA GLU 26 -12.175 3.799 -4.179 190 HB2 GLU 26 1HB GLU 26 -9.523 3.945 -5.654 191 HB3 GLU 26 2HB GLU 26 -10.725 2.712 -5.985 192 HG2 GLU 26 1HG GLU 26 -11.152 5.716 -6.277 193 HG3 GLU 26 2HG GLU 26 -10.776 4.600 -7.589 194 H TYR 27 H TYR 27 -12.130 2.858 -2.076 195 HA TYR 27 HA TYR 27 -9.957 0.947 -1.478 196 HB2 TYR 27 1HB TYR 27 -11.280 2.438 0.215 197 HB3 TYR 27 2HB TYR 27 -12.533 1.212 0.083 198 HD1 TYR 27 1HD TYR 27 -11.598 -1.340 0.342 199 HD2 TYR 27 2HD TYR 27 -9.622 2.200 1.817 200 HE1 TYR 27 1HE TYR 27 -10.159 -2.735 1.807 201 HE2 TYR 27 2HE TYR 27 -8.248 0.794 3.344 202 HH TYR 27 HH TYR 27 -8.232 -2.793 2.986 203 H HIS 28 H HIS 28 -10.008 -1.145 -2.126 204 HA HIS 28 HA HIS 28 -12.584 -2.482 -2.750 205 HB2 HIS 28 1HB HIS 28 -10.337 -2.165 -4.784 206 HB3 HIS 28 2HB HIS 28 -11.722 -3.241 -4.949 207 HD1 HIS 28 1HD HIS 28 -14.198 -1.983 -5.025 208 HD2 HIS 28 2HD HIS 28 -10.707 0.346 -5.500 209 HE1 HIS 28 1HE HIS 28 -14.949 0.282 -6.066 210 HE2 HIS 28 2HE HIS 28 -12.859 1.681 -6.362 211 H LYS 29 H LYS 29 -12.358 -3.986 -1.183 212 HA LYS 29 HA LYS 29 -9.902 -5.688 -1.198 213 HB2 LYS 29 1HB LYS 29 -10.714 -6.433 1.096 214 HB3 LYS 29 2HB LYS 29 -10.099 -4.810 0.937 215 HG2 LYS 29 1HG LYS 29 -12.050 -4.887 2.403 216 HG3 LYS 29 2HG LYS 29 -12.331 -3.842 1.016 217 HD2 LYS 29 1HD LYS 29 -13.690 -5.628 -0.060 218 HD3 LYS 29 2HD LYS 29 -13.363 -6.697 1.324 219 HE2 LYS 29 1HE LYS 29 -14.435 -4.977 2.803 220 HE3 LYS 29 2HE LYS 29 -14.807 -4.000 1.378 221 HZ1 LYS 29 3HZ LYS 29 -16.151 -5.870 0.559 222 HZ2 LYS 29 1HZ LYS 29 -15.742 -6.771 1.879 223 HZ3 LYS 29 2HZ LYS 29 -16.682 -5.445 2.068 224 H GLY 30 H GLY 30 -10.278 -7.978 -0.510 225 HA2 GLY 30 1HA GLY 30 -11.326 -10.041 -0.724 226 HA3 GLY 30 2HA GLY 30 -12.854 -9.203 -1.017 227 H LEU 31 H LEU 31 -9.924 -8.776 -2.986 228 HA LEU 31 HA LEU 31 -11.216 -10.201 -5.252 229 HB2 LEU 31 1HB LEU 31 -10.752 -8.284 -6.716 230 HB3 LEU 31 2HB LEU 31 -11.916 -7.967 -5.462 231 HG LEU 31 HG LEU 31 -10.158 -6.721 -4.144 232 HD11 LEU 31 1HD1 LEU 31 -8.080 -7.585 -5.098 233 HD12 LEU 31 2HD1 LEU 31 -8.532 -6.969 -6.711 234 HD13 LEU 31 3HD1 LEU 31 -8.210 -5.863 -5.374 235 HD21 LEU 31 3HD2 LEU 31 -11.119 -5.887 -6.892 236 HD22 LEU 31 1HD2 LEU 31 -11.720 -5.451 -5.274 237 HD23 LEU 31 2HD2 LEU 31 -10.160 -4.779 -5.868 238 H SER 32 H SER 32 -9.183 -9.465 -7.168 239 HA SER 32 HA SER 32 -6.692 -10.446 -5.986 240 HB2 SER 32 1HB SER 32 -6.454 -12.418 -7.173 241 HB3 SER 32 2HB SER 32 -8.112 -12.484 -6.588 242 HG SER 32 HG SER 32 -8.815 -11.767 -8.652 243 H LEU 33 H LEU 33 -5.096 -10.887 -8.049 244 HA LEU 33 HA LEU 33 -4.460 -8.215 -8.527 245 HB2 LEU 33 1HB LEU 33 -3.314 -10.825 -9.545 246 HB3 LEU 33 2HB LEU 33 -2.705 -9.309 -10.184 247 HG LEU 33 HG LEU 33 -1.312 -10.103 -8.374 248 HD11 LEU 33 1HD1 LEU 33 -2.567 -7.417 -8.321 249 HD12 LEU 33 2HD1 LEU 33 -1.877 -7.947 -6.738 250 HD13 LEU 33 3HD1 LEU 33 -0.866 -7.931 -8.200 251 HD21 LEU 33 3HD2 LEU 33 -3.632 -9.763 -6.441 252 HD22 LEU 33 1HD2 LEU 33 -2.999 -11.322 -7.030 253 HD23 LEU 33 2HD2 LEU 33 -1.979 -10.251 -6.081 254 H SER 34 H SER 34 -6.154 -10.373 -10.733 255 HA SER 34 HA SER 34 -5.989 -8.775 -13.111 256 HB2 SER 34 1HB SER 34 -7.988 -10.160 -13.723 257 HB3 SER 34 2HB SER 34 -6.587 -11.109 -13.171 258 HG SER 34 HG SER 34 -8.418 -11.876 -12.122 259 H ASP 35 H ASP 35 -8.047 -8.674 -10.216 260 HA ASP 35 HA ASP 35 -9.930 -6.705 -11.333 261 HB2 ASP 35 1HB ASP 35 -9.575 -8.132 -8.695 262 HB3 ASP 35 2HB ASP 35 -10.557 -6.673 -8.789 263 H PHE 36 H PHE 36 -7.037 -6.700 -9.301 264 HA PHE 36 HA PHE 36 -7.001 -3.857 -8.692 265 HB2 PHE 36 1HB PHE 36 -5.502 -5.209 -7.463 266 HB3 PHE 36 2HB PHE 36 -4.931 -6.057 -8.874 267 HD1 PHE 36 1HD PHE 36 -4.756 -2.787 -7.115 268 HD2 PHE 36 2HD PHE 36 -3.114 -5.278 -10.235 269 HE1 PHE 36 1HE PHE 36 -2.851 -1.212 -7.379 270 HE2 PHE 36 2HE PHE 36 -1.242 -3.689 -10.525 271 HZ PHE 36 HZ PHE 36 -1.109 -1.643 -9.102 272 H GLU 37 H GLU 37 -5.679 -5.795 -11.370 273 HA GLU 37 HA GLU 37 -4.620 -3.803 -13.052 274 HB2 GLU 37 1HB GLU 37 -5.401 -6.599 -13.183 275 HB3 GLU 37 2HB GLU 37 -5.918 -5.806 -14.663 276 HG2 GLU 37 1HG GLU 37 -3.596 -4.981 -15.076 277 HG3 GLU 37 2HG GLU 37 -3.082 -5.535 -13.469 278 H VAL 38 H VAL 38 -7.990 -4.959 -12.850 279 HA VAL 38 HA VAL 38 -9.035 -3.227 -14.893 280 HB VAL 38 HB VAL 38 -10.355 -4.580 -12.517 281 HG11 VAL 38 1HG1 VAL 38 -12.528 -4.036 -13.622 282 HG12 VAL 38 2HG1 VAL 38 -11.717 -2.621 -12.963 283 HG13 VAL 38 3HG1 VAL 38 -11.665 -2.929 -14.712 284 HG21 VAL 38 3HG2 VAL 38 -9.513 -5.488 -15.116 285 HG22 VAL 38 1HG2 VAL 38 -10.453 -6.362 -13.870 286 HG23 VAL 38 2HG2 VAL 38 -11.305 -5.414 -15.136 287 H LEU 39 H LEU 39 -8.831 -2.741 -11.305 288 HA LEU 39 HA LEU 39 -10.008 -0.168 -11.343 289 HB2 LEU 39 1HB LEU 39 -9.327 -1.724 -9.353 290 HB3 LEU 39 2HB LEU 39 -7.769 -0.952 -9.432 291 HG LEU 39 HG LEU 39 -9.097 0.063 -7.677 292 HD11 LEU 39 1HD1 LEU 39 -7.792 1.768 -8.861 293 HD12 LEU 39 2HD1 LEU 39 -9.143 2.036 -10.000 294 HD13 LEU 39 3HD1 LEU 39 -9.340 2.441 -8.281 295 HD21 LEU 39 3HD2 LEU 39 -11.235 0.633 -9.779 296 HD22 LEU 39 1HD2 LEU 39 -11.316 -0.613 -8.517 297 HD23 LEU 39 2HD2 LEU 39 -11.281 1.114 -8.098 298 H TYR 40 H TYR 40 -6.537 -0.981 -11.431 299 HA TYR 40 HA TYR 40 -5.539 1.670 -11.761 300 HB2 TYR 40 1HB TYR 40 -4.207 -0.234 -10.996 301 HB3 TYR 40 2HB TYR 40 -4.431 -1.053 -12.533 302 HD1 TYR 40 2HD TYR 40 -3.076 2.192 -11.144 303 HD2 TYR 40 1HD TYR 40 -2.772 -0.868 -14.173 304 HE1 TYR 40 2HE TYR 40 -0.986 3.251 -12.015 305 HE2 TYR 40 1HE TYR 40 -0.706 0.173 -15.026 306 HH TYR 40 HH TYR 40 0.676 1.893 -14.992 307 H GLY 41 H GLY 41 -6.504 -0.769 -14.265 308 HA2 GLY 41 1HA GLY 41 -5.557 0.904 -16.446 309 HA3 GLY 41 2HA GLY 41 -6.406 -0.634 -16.554 310 H ASN 42 H ASN 42 -8.795 0.376 -14.950 311 HA ASN 42 HA ASN 42 -10.230 1.443 -17.252 312 HB2 ASN 42 1HB ASN 42 -11.112 -0.374 -15.772 313 HB3 ASN 42 2HB ASN 42 -11.107 0.746 -14.405 314 HD21 ASN 42 1HD2 ASN 42 -12.599 0.114 -17.618 315 HD22 ASN 42 2HD2 ASN 42 -14.019 1.097 -17.223 316 H THR 43 H THR 43 -9.174 2.600 -14.057 317 HA THR 43 HA THR 43 -10.685 5.018 -14.108 318 HB THR 43 HB THR 43 -8.984 5.810 -12.371 319 HG1 THR 43 1HG THR 43 -8.116 3.108 -12.341 320 HG21 THR 43 3HG2 THR 43 -10.390 3.144 -11.904 321 HG22 THR 43 1HG2 THR 43 -9.801 4.254 -10.641 322 HG23 THR 43 2HG2 THR 43 -11.104 4.761 -11.726 323 H ALA 44 H ALA 44 -7.297 4.372 -14.829 324 HA ALA 44 HA ALA 44 -5.651 5.426 -15.969 325 HB1 ALA 44 3HB ALA 44 -7.123 4.678 -17.809 326 HB2 ALA 44 1HB ALA 44 -7.936 6.261 -17.788 327 HB3 ALA 44 2HB ALA 44 -6.220 6.146 -18.235 328 H ASP 45 H ASP 45 -7.148 7.094 -13.906 329 HA ASP 45 HA ASP 45 -6.744 9.878 -14.764 330 HB2 ASP 45 1HB ASP 45 -7.796 8.472 -12.278 331 HB3 ASP 45 2HB ASP 45 -7.430 10.187 -12.240 332 H GLU 46 H GLU 46 -5.656 11.330 -13.122 333 HA GLU 46 HA GLU 46 -2.848 10.662 -12.966 334 HB2 GLU 46 1HB GLU 46 -4.528 12.962 -11.927 335 HB3 GLU 46 2HB GLU 46 -2.779 12.838 -11.660 336 HG2 GLU 46 1HG GLU 46 -2.402 12.764 -14.105 337 HG3 GLU 46 2HG GLU 46 -4.142 12.841 -14.397 338 H ILE 47 H ILE 47 -2.393 8.984 -11.726 339 HA ILE 47 HA ILE 47 -3.588 8.471 -9.171 340 HB ILE 47 HB ILE 47 -2.935 6.684 -10.561 341 HG12 ILE 47 1HG1 ILE 47 -2.768 6.453 -8.030 342 HG13 ILE 47 2HG1 ILE 47 -2.097 5.209 -9.065 343 HG21 ILE 47 1HG2 ILE 47 -1.152 7.534 -11.896 344 HG22 ILE 47 2HG2 ILE 47 -0.082 7.663 -10.493 345 HG23 ILE 47 3HG2 ILE 47 -0.616 6.069 -11.088 346 HD11 ILE 47 3HD1 ILE 47 -0.589 5.500 -7.254 347 HD12 ILE 47 1HD1 ILE 47 0.215 6.169 -8.685 348 HD13 ILE 47 2HD1 ILE 47 -0.510 7.261 -7.469 349 H ILE 48 H ILE 48 -3.061 8.975 -7.236 350 HA ILE 48 HA ILE 48 -0.758 10.754 -6.673 351 HB ILE 48 HB ILE 48 -3.457 10.536 -5.276 352 HG12 ILE 48 1HG1 ILE 48 -3.936 11.440 -7.436 353 HG13 ILE 48 2HG1 ILE 48 -4.066 12.714 -6.232 354 HG21 ILE 48 1HG2 ILE 48 -2.119 13.049 -4.750 355 HG22 ILE 48 2HG2 ILE 48 -2.665 11.770 -3.638 356 HG23 ILE 48 3HG2 ILE 48 -1.025 11.688 -4.351 357 HD11 ILE 48 3HD1 ILE 48 -3.008 13.484 -8.313 358 HD12 ILE 48 1HD1 ILE 48 -1.888 13.648 -6.909 359 HD13 ILE 48 2HD1 ILE 48 -1.669 12.303 -8.098 360 H LYS 49 H LYS 49 -2.875 8.156 -5.419 361 HA LYS 49 HA LYS 49 -0.528 6.875 -4.136 362 HB2 LYS 49 1HB LYS 49 -3.228 7.267 -2.773 363 HB3 LYS 49 2HB LYS 49 -1.904 6.268 -2.169 364 HG2 LYS 49 1HG LYS 49 -0.466 8.304 -2.054 365 HG3 LYS 49 2HG LYS 49 -1.847 9.290 -2.538 366 HD2 LYS 49 1HD LYS 49 -3.123 8.438 -0.572 367 HD3 LYS 49 2HD LYS 49 -1.688 7.542 -0.036 368 HE2 LYS 49 1HE LYS 49 -1.152 10.354 -0.712 369 HE3 LYS 49 2HE LYS 49 -2.338 10.226 0.584 370 HZ1 LYS 49 3HZ LYS 49 0.253 10.198 1.149 371 HZ2 LYS 49 1HZ LYS 49 -0.638 9.070 1.938 372 HZ3 LYS 49 2HZ LYS 49 0.256 8.684 0.575 373 H LEU 50 H LEU 50 -0.605 4.672 -4.235 374 HA LEU 50 HA LEU 50 -3.196 3.494 -4.041 375 HB2 LEU 50 1HB LEU 50 -3.046 1.772 -5.723 376 HB3 LEU 50 2HB LEU 50 -3.052 3.373 -6.432 377 HG LEU 50 HG LEU 50 -0.539 3.134 -6.748 378 HD11 LEU 50 1HD1 LEU 50 0.267 0.731 -6.926 379 HD12 LEU 50 2HD1 LEU 50 -0.004 1.229 -5.273 380 HD13 LEU 50 3HD1 LEU 50 -1.206 0.214 -6.087 381 HD21 LEU 50 3HD2 LEU 50 -0.897 1.486 -8.720 382 HD22 LEU 50 1HD2 LEU 50 -2.593 1.415 -8.153 383 HD23 LEU 50 2HD2 LEU 50 -1.872 2.974 -8.661 384 H ARG 51 H ARG 51 -3.265 1.466 -3.222 385 HA ARG 51 HA ARG 51 -0.798 0.229 -2.183 386 HB2 ARG 51 1HB ARG 51 -1.997 1.709 -0.445 387 HB3 ARG 51 2HB ARG 51 -3.349 0.571 -0.568 388 HG2 ARG 51 1HG ARG 51 -1.822 -1.292 0.127 389 HG3 ARG 51 2HG ARG 51 -0.495 -0.132 0.203 390 HD2 ARG 51 1HD ARG 51 -1.364 -0.648 2.436 391 HD3 ARG 51 2HD ARG 51 -1.579 1.058 2.032 392 HE ARG 51 HE ARG 51 -3.854 0.783 2.291 393 HH11 ARG 51 2HH2 ARG 51 -2.667 -2.646 1.873 394 HH12 ARG 51 1HH2 ARG 51 -4.392 -3.096 1.996 395 HH21 ARG 51 1HH1 ARG 51 -5.932 -0.251 2.180 396 HH22 ARG 51 2HH1 ARG 51 -5.840 -1.989 2.448 397 H LEU 52 H LEU 52 -0.900 -1.945 -2.057 398 HA LEU 52 HA LEU 52 -3.434 -3.386 -2.161 399 HB2 LEU 52 1HB LEU 52 -3.017 -3.389 -4.447 400 HB3 LEU 52 2HB LEU 52 -1.311 -3.635 -4.288 401 HG LEU 52 HG LEU 52 -3.222 -5.797 -3.345 402 HD11 LEU 52 1HD1 LEU 52 -3.259 -6.762 -5.552 403 HD12 LEU 52 2HD1 LEU 52 -3.916 -5.149 -5.629 404 HD13 LEU 52 3HD1 LEU 52 -2.269 -5.425 -6.208 405 HD21 LEU 52 3HD2 LEU 52 -1.163 -7.100 -4.561 406 HD22 LEU 52 1HD2 LEU 52 -0.293 -5.630 -4.056 407 HD23 LEU 52 2HD2 LEU 52 -1.127 -6.639 -2.836 408 H ASP 53 H ASP 53 -3.401 -4.995 -0.718 409 HA ASP 53 HA ASP 53 -0.793 -6.205 0.107 410 HB2 ASP 53 1HB ASP 53 -3.064 -5.215 1.858 411 HB3 ASP 53 2HB ASP 53 -2.005 -6.508 2.383 412 H LYS 54 H LYS 54 -0.819 -8.450 0.170 413 HA LYS 54 HA LYS 54 -3.239 -9.932 -0.611 414 HB2 LYS 54 1HB LYS 54 -2.092 -11.889 -0.367 415 HB3 LYS 54 2HB LYS 54 -0.871 -10.760 -0.925 416 HG2 LYS 54 1HG LYS 54 0.015 -10.550 1.371 417 HG3 LYS 54 2HG LYS 54 -1.239 -11.630 1.992 418 HD2 LYS 54 1HD LYS 54 0.650 -12.528 -0.209 419 HD3 LYS 54 2HD LYS 54 1.061 -12.654 1.512 420 HE2 LYS 54 1HE LYS 54 -0.958 -14.023 1.952 421 HE3 LYS 54 2HE LYS 54 -1.429 -13.932 0.253 422 HZ1 LYS 54 3HZ LYS 54 1.069 -15.165 1.274 423 HZ2 LYS 54 1HZ LYS 54 -0.239 -15.986 0.714 424 HZ3 LYS 54 2HZ LYS 54 0.656 -15.091 -0.319 425 H VAL 55 H VAL 55 -4.453 -11.314 0.567 426 HA VAL 55 HA VAL 55 -4.399 -11.064 3.491 427 HB VAL 55 HB VAL 55 -7.004 -10.947 1.945 428 HG11 VAL 55 1HG1 VAL 55 -6.349 -10.654 4.904 429 HG12 VAL 55 2HG1 VAL 55 -7.928 -10.280 4.185 430 HG13 VAL 55 3HG1 VAL 55 -7.334 -11.929 4.138 431 HG21 VAL 55 3HG2 VAL 55 -5.877 -8.770 1.628 432 HG22 VAL 55 1HG2 VAL 55 -7.213 -8.588 2.760 433 HG23 VAL 55 2HG2 VAL 55 -5.542 -8.672 3.371 434 H LEU 56 H LEU 56 -5.242 -12.762 4.428 435 HA LEU 56 HA LEU 56 -5.928 -15.278 3.057 436 HB2 LEU 56 1HB LEU 56 -3.431 -15.251 3.178 437 HB3 LEU 56 2HB LEU 56 -3.517 -14.883 4.905 438 HG LEU 56 HG LEU 56 -4.624 -17.095 5.299 439 HD11 LEU 56 1HD1 LEU 56 -5.614 -17.515 3.056 440 HD12 LEU 56 2HD1 LEU 56 -4.002 -17.517 2.319 441 HD13 LEU 56 3HD1 LEU 56 -4.480 -18.806 3.452 442 HD21 LEU 56 3HD2 LEU 56 -1.922 -17.120 3.880 443 HD22 LEU 56 1HD2 LEU 56 -2.207 -16.817 5.609 444 HD23 LEU 56 2HD2 LEU 56 -2.546 -18.417 4.931 445 H1 MET 1 1H MET 1 11.645 21.736 2.416 446 H2 MET 1 2H MET 1 10.309 20.813 2.221 447 H3 MET 1 3H MET 1 11.740 20.365 1.505 448 HA MET 1 HA MET 1 12.273 20.551 4.206 449 HB2 MET 1 1HB MET 1 9.645 20.364 4.222 450 HB3 MET 1 2HB MET 1 9.937 18.647 3.879 451 HG2 MET 1 1HG MET 1 11.597 18.661 5.886 452 HG3 MET 1 2HG MET 1 11.104 20.317 6.175 453 HE1 MET 1 3HE MET 1 8.196 20.898 6.803 454 HE2 MET 1 1HE MET 1 8.284 20.166 8.433 455 HE3 MET 1 2HE MET 1 9.730 20.900 7.692 456 H VAL 2 H VAL 2 10.993 17.825 2.155 457 HA VAL 2 HA VAL 2 13.566 16.408 2.645 458 HB VAL 2 HB VAL 2 12.251 14.340 2.292 459 HG11 VAL 2 1HG1 VAL 2 11.125 16.119 4.494 460 HG12 VAL 2 2HG1 VAL 2 11.180 14.342 4.472 461 HG13 VAL 2 3HG1 VAL 2 12.685 15.268 4.561 462 HG21 VAL 2 3HG2 VAL 2 9.821 14.346 2.269 463 HG22 VAL 2 1HG2 VAL 2 9.757 16.112 2.397 464 HG23 VAL 2 2HG2 VAL 2 10.391 15.336 0.928 465 H GLN 3 H GLN 3 11.934 17.922 0.065 466 HA GLN 3 HA GLN 3 12.823 16.107 -1.959 467 HB2 GLN 3 1HB GLN 3 11.491 18.833 -1.934 468 HB3 GLN 3 2HB GLN 3 12.311 18.360 -3.406 469 HG2 GLN 3 1HG GLN 3 10.071 17.713 -3.704 470 HG3 GLN 3 2HG GLN 3 10.992 16.236 -3.488 471 HE21 GLN 3 1HE2 GLN 3 10.240 14.773 -1.933 472 HE22 GLN 3 2HE2 GLN 3 8.928 15.211 -0.819 473 H ASN 4 H ASN 4 14.658 17.296 -0.200 474 HA ASN 4 HA ASN 4 16.869 18.242 -1.986 475 HB2 ASN 4 1HB ASN 4 18.177 18.622 0.019 476 HB3 ASN 4 2HB ASN 4 16.607 19.396 0.234 477 HD21 ASN 4 1HD2 ASN 4 18.872 17.308 1.723 478 HD22 ASN 4 2HD2 ASN 4 17.755 16.666 2.925 479 H ASP 5 H ASP 5 15.528 15.380 -0.532 480 HA ASP 5 HA ASP 5 17.777 13.760 -1.633 481 HB2 ASP 5 1HB ASP 5 18.158 14.092 0.802 482 HB3 ASP 5 2HB ASP 5 16.565 13.414 1.143 483 H PHE 6 H PHE 6 14.535 13.684 -0.192 484 HA PHE 6 HA PHE 6 13.703 11.451 -1.956 485 HB2 PHE 6 1HB PHE 6 13.154 11.813 0.613 486 HB3 PHE 6 2HB PHE 6 11.856 12.817 -0.001 487 HD1 PHE 6 2HD PHE 6 13.315 9.427 0.191 488 HD2 PHE 6 1HD PHE 6 9.990 11.734 -1.314 489 HE1 PHE 6 2HE PHE 6 11.990 7.351 -0.058 490 HE2 PHE 6 1HE PHE 6 8.666 9.638 -1.573 491 HZ PHE 6 HZ PHE 6 9.649 7.451 -0.911 492 H VAL 7 H VAL 7 14.443 13.124 -3.540 493 HA VAL 7 HA VAL 7 12.925 15.411 -4.313 494 HB VAL 7 HB VAL 7 15.272 14.788 -4.876 495 HG11 VAL 7 1HG1 VAL 7 15.894 13.314 -6.525 496 HG12 VAL 7 2HG1 VAL 7 14.557 12.414 -5.753 497 HG13 VAL 7 3HG1 VAL 7 14.266 13.286 -7.297 498 HG21 VAL 7 3HG2 VAL 7 15.389 15.995 -6.902 499 HG22 VAL 7 1HG2 VAL 7 13.737 15.617 -7.365 500 HG23 VAL 7 2HG2 VAL 7 14.054 16.680 -5.971 501 H ASP 8 H ASP 8 11.965 15.452 -6.755 502 HA ASP 8 HA ASP 8 9.437 14.244 -6.509 503 HB2 ASP 8 1HB ASP 8 8.945 15.228 -8.636 504 HB3 ASP 8 2HB ASP 8 9.998 16.331 -7.773 505 H SER 9 H SER 9 8.424 13.246 -8.419 506 HA SER 9 HA SER 9 7.932 11.568 -9.810 507 HB2 SER 9 1HB SER 9 10.911 11.033 -10.044 508 HB3 SER 9 2HB SER 9 9.635 10.347 -11.048 509 HG SER 9 HG SER 9 10.295 13.191 -10.828 510 H TYR 10 H TYR 10 7.547 9.367 -9.942 511 HA TYR 10 HA TYR 10 6.310 8.820 -7.571 512 HB2 TYR 10 1HB TYR 10 6.727 7.167 -10.061 513 HB3 TYR 10 2HB TYR 10 5.852 6.538 -8.695 514 HD1 TYR 10 1HD TYR 10 5.831 9.279 -11.247 515 HD2 TYR 10 2HD TYR 10 3.656 7.260 -8.113 516 HE1 TYR 10 1HE TYR 10 3.757 10.545 -11.843 517 HE2 TYR 10 2HE TYR 10 1.603 8.487 -8.730 518 HH TYR 10 HH TYR 10 0.660 10.118 -10.024 519 H ASP 11 H ASP 11 6.244 7.262 -6.076 520 HA ASP 11 HA ASP 11 8.798 5.895 -5.331 521 HB2 ASP 11 1HB ASP 11 8.405 7.687 -3.817 522 HB3 ASP 11 2HB ASP 11 6.680 7.362 -3.754 523 H VAL 12 H VAL 12 8.399 3.872 -6.258 524 HA VAL 12 HA VAL 12 5.999 2.381 -5.363 525 HB VAL 12 HB VAL 12 8.413 1.345 -6.875 526 HG11 VAL 12 1HG1 VAL 12 6.779 -0.500 -7.381 527 HG12 VAL 12 2HG1 VAL 12 7.251 -0.442 -5.670 528 HG13 VAL 12 3HG1 VAL 12 5.659 0.192 -6.213 529 HG21 VAL 12 3HG2 VAL 12 6.904 3.005 -8.193 530 HG22 VAL 12 1HG2 VAL 12 7.188 1.405 -8.895 531 HG23 VAL 12 2HG2 VAL 12 5.661 1.750 -8.077 532 H THR 13 H THR 13 6.007 1.268 -3.577 533 HA THR 13 HA THR 13 8.528 0.253 -2.334 534 HB THR 13 HB THR 13 6.300 1.789 -0.954 535 HG1 THR 13 1HG THR 13 8.110 2.958 -1.925 536 HG21 THR 13 3HG2 THR 13 7.577 1.438 1.131 537 HG22 THR 13 1HG2 THR 13 6.944 -0.101 0.522 538 HG23 THR 13 2HG2 THR 13 8.664 0.313 0.292 539 H MET 14 H MET 14 8.125 -1.723 -3.309 540 HA MET 14 HA MET 14 5.591 -3.164 -2.613 541 HB2 MET 14 1HB MET 14 7.761 -3.560 -4.700 542 HB3 MET 14 2HB MET 14 6.756 -4.927 -4.172 543 HG2 MET 14 1HG MET 14 4.708 -3.701 -4.750 544 HG3 MET 14 2HG MET 14 5.658 -2.296 -5.236 545 HE1 MET 14 3HE MET 14 7.621 -5.343 -6.304 546 HE2 MET 14 1HE MET 14 6.133 -6.344 -6.399 547 HE3 MET 14 2HE MET 14 6.963 -5.816 -7.883 548 H LEU 15 H LEU 15 5.848 -5.438 -1.971 549 HA LEU 15 HA LEU 15 8.516 -6.272 -1.351 550 HB2 LEU 15 1HB LEU 15 8.523 -6.502 0.919 551 HB3 LEU 15 2HB LEU 15 7.516 -5.104 0.784 552 HG LEU 15 HG LEU 15 5.525 -6.923 0.777 553 HD11 LEU 15 1HD1 LEU 15 6.478 -9.038 0.986 554 HD12 LEU 15 2HD1 LEU 15 7.953 -8.424 1.774 555 HD13 LEU 15 3HD1 LEU 15 6.446 -8.600 2.712 556 HD21 LEU 15 3HD2 LEU 15 7.069 -6.112 3.261 557 HD22 LEU 15 1HD2 LEU 15 5.904 -5.085 2.404 558 HD23 LEU 15 2HD2 LEU 15 5.357 -6.572 3.187 559 H LEU 16 H LEU 16 8.789 -8.442 -1.168 560 HA LEU 16 HA LEU 16 6.595 -10.197 -2.155 561 HB2 LEU 16 1HB LEU 16 9.348 -9.710 -3.376 562 HB3 LEU 16 2HB LEU 16 8.312 -11.052 -3.858 563 HG LEU 16 HG LEU 16 7.466 -8.128 -4.122 564 HD11 LEU 16 1HD1 LEU 16 9.451 -8.538 -5.516 565 HD12 LEU 16 2HD1 LEU 16 8.669 -9.972 -6.207 566 HD13 LEU 16 3HD1 LEU 16 7.990 -8.353 -6.507 567 HD21 LEU 16 3HD2 LEU 16 5.695 -9.894 -4.060 568 HD22 LEU 16 1HD2 LEU 16 5.744 -8.999 -5.580 569 HD23 LEU 16 2HD2 LEU 16 6.414 -10.650 -5.492 570 H GLN 17 H GLN 17 7.520 -12.514 -2.298 571 HA GLN 17 HA GLN 17 8.976 -13.030 0.247 572 HB2 GLN 17 1HB GLN 17 6.540 -13.296 0.394 573 HB3 GLN 17 2HB GLN 17 6.585 -14.534 -0.867 574 HG2 GLN 17 1HG GLN 17 7.828 -16.036 0.541 575 HG3 GLN 17 2HG GLN 17 8.236 -14.750 1.689 576 HE21 GLN 17 1HE2 GLN 17 5.816 -17.134 0.796 577 HE22 GLN 17 2HE2 GLN 17 4.720 -16.689 2.107 578 H ASP 18 H ASP 18 10.388 -14.697 0.345 579 HA ASP 18 HA ASP 18 11.439 -15.635 -2.259 580 HB2 ASP 18 1HB ASP 18 12.754 -14.296 -0.373 581 HB3 ASP 18 2HB ASP 18 12.780 -15.861 0.438 582 H ASP 19 H ASP 19 12.533 -17.836 -1.967 583 HA ASP 19 HA ASP 19 10.473 -19.832 -1.709 584 HB2 ASP 19 1HB ASP 19 12.402 -19.948 -3.247 585 HB3 ASP 19 2HB ASP 19 13.501 -20.072 -1.873 586 H ASP 20 H ASP 20 13.022 -18.790 0.572 587 HA ASP 20 HA ASP 20 12.312 -20.856 2.543 588 HB2 ASP 20 1HB ASP 20 14.139 -20.039 3.813 589 HB3 ASP 20 2HB ASP 20 14.677 -20.076 2.141 590 H GLY 21 H GLY 21 10.834 -18.061 1.568 591 HA2 GLY 21 1HA GLY 21 8.974 -17.061 2.472 592 HA3 GLY 21 2HA GLY 21 9.259 -17.886 3.999 593 H LYS 22 H LYS 22 12.093 -16.156 3.073 594 HA LYS 22 HA LYS 22 11.986 -14.777 5.520 595 HB2 LYS 22 1HB LYS 22 14.032 -13.705 4.939 596 HB3 LYS 22 2HB LYS 22 14.067 -15.359 4.335 597 HG2 LYS 22 1HG LYS 22 13.695 -14.587 2.041 598 HG3 LYS 22 2HG LYS 22 13.383 -12.942 2.578 599 HD2 LYS 22 1HD LYS 22 15.617 -13.037 1.685 600 HD3 LYS 22 2HD LYS 22 15.676 -12.718 3.415 601 HE2 LYS 22 1HE LYS 22 17.416 -14.327 2.797 602 HE3 LYS 22 2HE LYS 22 16.240 -15.100 3.852 603 HZ1 LYS 22 3HZ LYS 22 15.276 -16.257 2.087 604 HZ2 LYS 22 1HZ LYS 22 15.993 -15.408 0.886 605 HZ3 LYS 22 2HZ LYS 22 16.854 -16.458 1.878 606 H GLN 23 H GLN 23 10.677 -13.693 2.621 607 HA GLN 23 HA GLN 23 9.788 -11.832 1.748 608 HB2 GLN 23 1HB GLN 23 9.337 -11.049 4.632 609 HB3 GLN 23 2HB GLN 23 8.763 -10.115 3.247 610 HG2 GLN 23 1HG GLN 23 7.535 -12.092 2.386 611 HG3 GLN 23 2HG GLN 23 8.068 -13.038 3.783 612 HE21 GLN 23 1HE2 GLN 23 5.531 -13.195 3.652 613 HE22 GLN 23 2HE2 GLN 23 4.740 -11.987 4.715 614 H TYR 24 H TYR 24 10.379 -10.045 0.737 615 HA TYR 24 HA TYR 24 12.564 -8.408 1.887 616 HB2 TYR 24 1HB TYR 24 13.876 -8.542 -0.155 617 HB3 TYR 24 2HB TYR 24 13.709 -10.120 0.591 618 HD1 TYR 24 1HD TYR 24 12.315 -11.893 -0.468 619 HD2 TYR 24 2HD TYR 24 12.873 -8.040 -2.353 620 HE1 TYR 24 1HE TYR 24 11.542 -12.840 -2.638 621 HE2 TYR 24 2HE TYR 24 12.123 -8.987 -4.503 622 HH TYR 24 HH TYR 24 11.013 -12.380 -4.832 623 H TYR 25 H TYR 25 12.588 -6.341 1.263 624 HA TYR 25 HA TYR 25 10.163 -5.271 -0.011 625 HB2 TYR 25 1HB TYR 25 12.460 -4.141 1.581 626 HB3 TYR 25 2HB TYR 25 11.571 -3.081 0.501 627 HD1 TYR 25 2HD TYR 25 11.127 -5.395 3.416 628 HD2 TYR 25 1HD TYR 25 9.377 -2.308 0.963 629 HE1 TYR 25 2HE TYR 25 9.295 -5.139 5.061 630 HE2 TYR 25 1HE TYR 25 7.541 -2.030 2.630 631 HH TYR 25 HH TYR 25 7.328 -4.071 5.560 632 H GLU 26 H GLU 26 10.104 -3.967 -1.688 633 HA GLU 26 HA GLU 26 12.388 -3.774 -3.594 634 HB2 GLU 26 1HB GLU 26 9.549 -4.720 -4.071 635 HB3 GLU 26 2HB GLU 26 10.527 -4.057 -5.381 636 HG2 GLU 26 1HG GLU 26 11.264 -6.476 -3.664 637 HG3 GLU 26 2HG GLU 26 10.512 -6.545 -5.255 638 H TYR 27 H TYR 27 12.567 -1.839 -2.374 639 HA TYR 27 HA TYR 27 10.729 0.402 -2.815 640 HB2 TYR 27 1HB TYR 27 11.899 0.347 -0.748 641 HB3 TYR 27 2HB TYR 27 13.435 -0.012 -1.524 642 HD1 TYR 27 1HD TYR 27 10.777 2.704 -1.696 643 HD2 TYR 27 2HD TYR 27 14.981 1.695 -1.615 644 HE1 TYR 27 1HE TYR 27 11.353 5.104 -1.679 645 HE2 TYR 27 2HE TYR 27 15.563 4.097 -1.587 646 HH TYR 27 HH TYR 27 14.765 6.236 -1.596 647 H HIS 28 H HIS 28 10.642 1.430 -4.659 648 HA HIS 28 HA HIS 28 13.027 1.889 -6.364 649 HB2 HIS 28 1HB HIS 28 10.442 0.601 -7.328 650 HB3 HIS 28 2HB HIS 28 11.686 1.259 -8.385 651 HD1 HIS 28 1HD HIS 28 14.074 -0.063 -8.383 652 HD2 HIS 28 2HD HIS 28 10.848 -1.782 -6.282 653 HE1 HIS 28 1HE HIS 28 14.703 -2.557 -7.965 654 HE2 HIS 28 2HE HIS 28 12.737 -3.601 -6.700 655 H LYS 29 H LYS 29 13.005 4.003 -5.844 656 HA LYS 29 HA LYS 29 10.564 5.614 -6.436 657 HB2 LYS 29 1HB LYS 29 11.037 5.342 -4.080 658 HB3 LYS 29 2HB LYS 29 12.698 5.888 -4.282 659 HG2 LYS 29 1HG LYS 29 10.524 7.755 -5.199 660 HG3 LYS 29 2HG LYS 29 10.665 7.482 -3.464 661 HD2 LYS 29 1HD LYS 29 12.869 8.276 -3.335 662 HD3 LYS 29 2HD LYS 29 13.131 8.219 -5.079 663 HE2 LYS 29 1HE LYS 29 11.057 10.024 -3.761 664 HE3 LYS 29 2HE LYS 29 12.727 10.520 -4.041 665 HZ1 LYS 29 3HZ LYS 29 12.365 10.115 -6.440 666 HZ2 LYS 29 1HZ LYS 29 10.754 9.833 -6.179 667 HZ3 LYS 29 2HZ LYS 29 11.415 11.279 -5.849 668 H GLY 30 H GLY 30 10.760 7.500 -7.490 669 HA2 GLY 30 1HA GLY 30 11.931 9.360 -8.546 670 HA3 GLY 30 2HA GLY 30 13.435 8.427 -8.507 671 H LEU 31 H LEU 31 10.227 7.309 -9.580 672 HA LEU 31 HA LEU 31 11.138 7.170 -12.394 673 HB2 LEU 31 1HB LEU 31 10.453 4.780 -12.492 674 HB3 LEU 31 2HB LEU 31 11.879 5.106 -11.559 675 HG LEU 31 HG LEU 31 10.686 4.801 -9.446 676 HD11 LEU 31 1HD1 LEU 31 8.224 4.105 -11.110 677 HD12 LEU 31 2HD1 LEU 31 8.437 3.878 -9.363 678 HD13 LEU 31 3HD1 LEU 31 8.389 5.503 -10.010 679 HD21 LEU 31 3HD2 LEU 31 10.223 2.384 -9.681 680 HD22 LEU 31 1HD2 LEU 31 10.204 2.547 -11.442 681 HD23 LEU 31 2HD2 LEU 31 11.708 2.854 -10.544 682 H SER 32 H SER 32 8.900 5.678 -13.384 683 HA SER 32 HA SER 32 6.583 7.345 -12.566 684 HB2 SER 32 1HB SER 32 6.240 8.113 -14.708 685 HB3 SER 32 2HB SER 32 7.965 8.312 -14.493 686 HG SER 32 HG SER 32 8.435 6.500 -15.798 687 H LEU 33 H LEU 33 4.651 6.594 -14.166 688 HA LEU 33 HA LEU 33 3.929 4.124 -12.957 689 HB2 LEU 33 1HB LEU 33 2.587 5.665 -15.223 690 HB3 LEU 33 2HB LEU 33 1.881 4.336 -14.347 691 HG LEU 33 HG LEU 33 0.895 6.152 -13.367 692 HD11 LEU 33 1HD1 LEU 33 3.260 5.646 -11.499 693 HD12 LEU 33 2HD1 LEU 33 1.694 6.264 -11.041 694 HD13 LEU 33 3HD1 LEU 33 1.827 4.609 -11.665 695 HD21 LEU 33 3HD2 LEU 33 1.661 8.265 -13.098 696 HD22 LEU 33 1HD2 LEU 33 3.302 7.732 -12.603 697 HD23 LEU 33 2HD2 LEU 33 2.843 7.762 -14.341 698 H SER 34 H SER 34 5.100 4.739 -16.282 699 HA SER 34 HA SER 34 4.579 2.057 -17.208 700 HB2 SER 34 1HB SER 34 6.153 2.721 -19.007 701 HB3 SER 34 2HB SER 34 4.809 3.856 -18.799 702 HG SER 34 HG SER 34 6.255 5.361 -18.364 703 H ASP 35 H ASP 35 7.133 3.550 -15.265 704 HA ASP 35 HA ASP 35 9.002 1.310 -15.542 705 HB2 ASP 35 1HB ASP 35 8.924 3.556 -13.502 706 HB3 ASP 35 2HB ASP 35 10.297 2.527 -13.881 707 H PHE 36 H PHE 36 6.526 2.400 -13.208 708 HA PHE 36 HA PHE 36 6.843 0.259 -11.301 709 HB2 PHE 36 1HB PHE 36 5.441 2.052 -10.627 710 HB3 PHE 36 2HB PHE 36 4.529 2.022 -12.124 711 HD1 PHE 36 1HD PHE 36 5.400 -0.539 -9.490 712 HD2 PHE 36 2HD PHE 36 2.334 1.227 -11.971 713 HE1 PHE 36 1HE PHE 36 3.804 -2.254 -8.743 714 HE2 PHE 36 2HE PHE 36 0.694 -0.409 -11.099 715 HZ PHE 36 HZ PHE 36 1.424 -2.176 -9.506 716 H GLU 37 H GLU 37 4.851 0.461 -14.337 717 HA GLU 37 HA GLU 37 3.821 -2.159 -14.220 718 HB2 GLU 37 1HB GLU 37 4.399 -0.237 -16.482 719 HB3 GLU 37 2HB GLU 37 3.744 -1.850 -16.784 720 HG2 GLU 37 1HG GLU 37 1.827 -1.425 -15.323 721 HG3 GLU 37 2HG GLU 37 2.515 0.118 -14.813 722 H VAL 38 H VAL 38 7.084 -1.182 -15.115 723 HA VAL 38 HA VAL 38 7.841 -3.759 -16.252 724 HB VAL 38 HB VAL 38 9.596 -1.566 -15.054 725 HG11 VAL 38 1HG1 VAL 38 11.438 -2.713 -16.267 726 HG12 VAL 38 2HG1 VAL 38 10.803 -3.673 -14.937 727 HG13 VAL 38 3HG1 VAL 38 10.345 -4.068 -16.609 728 HG21 VAL 38 3HG2 VAL 38 8.742 -2.287 -17.890 729 HG22 VAL 38 1HG2 VAL 38 8.541 -0.734 -17.019 730 HG23 VAL 38 2HG2 VAL 38 10.164 -1.240 -17.530 731 H LEU 39 H LEU 39 8.215 -2.306 -12.984 732 HA LEU 39 HA LEU 39 9.417 -4.616 -11.769 733 HB2 LEU 39 1HB LEU 39 9.509 -2.375 -10.782 734 HB3 LEU 39 2HB LEU 39 7.755 -2.338 -10.632 735 HG LEU 39 HG LEU 39 7.845 -4.213 -8.995 736 HD11 LEU 39 1HD1 LEU 39 9.969 -5.300 -9.614 737 HD12 LEU 39 2HD1 LEU 39 10.871 -3.831 -9.172 738 HD13 LEU 39 3HD1 LEU 39 10.027 -4.779 -7.926 739 HD21 LEU 39 3HD2 LEU 39 9.511 -1.744 -8.403 740 HD22 LEU 39 1HD2 LEU 39 7.751 -1.952 -8.343 741 HD23 LEU 39 2HD2 LEU 39 8.760 -2.810 -7.168 742 H TYR 40 H TYR 40 6.016 -3.551 -11.978 743 HA TYR 40 HA TYR 40 4.831 -5.756 -10.630 744 HB2 TYR 40 1HB TYR 40 3.684 -3.659 -11.049 745 HB3 TYR 40 2HB TYR 40 3.771 -3.910 -12.786 746 HD1 TYR 40 2HD TYR 40 2.554 -5.797 -9.729 747 HD2 TYR 40 1HD TYR 40 1.805 -4.660 -13.829 748 HE1 TYR 40 2HE TYR 40 0.408 -7.022 -9.686 749 HE2 TYR 40 1HE TYR 40 -0.357 -5.880 -13.774 750 HH TYR 40 HH TYR 40 -1.708 -7.381 -12.627 751 H GLY 41 H GLY 41 5.264 -5.266 -14.222 752 HA2 GLY 41 1HA GLY 41 4.131 -7.802 -14.883 753 HA3 GLY 41 2HA GLY 41 5.053 -6.742 -15.948 754 H ASN 42 H ASN 42 7.442 -6.992 -13.941 755 HA ASN 42 HA ASN 42 8.507 -9.491 -15.109 756 HB2 ASN 42 1HB ASN 42 9.709 -7.328 -15.311 757 HB3 ASN 42 2HB ASN 42 9.807 -7.209 -13.551 758 HD21 ASN 42 1HD2 ASN 42 11.396 -8.408 -12.441 759 HD22 ASN 42 2HD2 ASN 42 12.586 -9.356 -13.376 760 H THR 43 H THR 43 7.884 -8.055 -11.884 761 HA THR 43 HA THR 43 9.263 -10.391 -10.686 762 HB THR 43 HB THR 43 9.020 -7.623 -9.500 763 HG1 THR 43 1HG THR 43 11.018 -7.195 -10.416 764 HG21 THR 43 3HG2 THR 43 11.164 -8.200 -8.429 765 HG22 THR 43 1HG2 THR 43 9.954 -9.422 -8.036 766 HG23 THR 43 2HG2 THR 43 11.173 -9.773 -9.267 767 H ALA 44 H ALA 44 6.195 -8.705 -10.535 768 HA ALA 44 HA ALA 44 5.700 -9.114 -7.750 769 HB1 ALA 44 3HB ALA 44 3.524 -8.114 -8.266 770 HB2 ALA 44 1HB ALA 44 4.825 -7.249 -9.099 771 HB3 ALA 44 2HB ALA 44 3.784 -8.397 -9.994 772 H ASP 45 H ASP 45 6.204 -11.658 -9.166 773 HA ASP 45 HA ASP 45 3.818 -13.248 -9.414 774 HB2 ASP 45 1HB ASP 45 6.013 -13.882 -10.384 775 HB3 ASP 45 2HB ASP 45 6.657 -14.122 -8.752 776 H GLU 46 H GLU 46 2.512 -13.759 -7.929 777 HA GLU 46 HA GLU 46 1.421 -13.873 -5.959 778 HB2 GLU 46 1HB GLU 46 3.009 -16.001 -6.158 779 HB3 GLU 46 2HB GLU 46 3.722 -15.326 -4.686 780 HG2 GLU 46 1HG GLU 46 1.175 -15.003 -3.918 781 HG3 GLU 46 2HG GLU 46 0.799 -16.124 -5.223 782 H ILE 47 H ILE 47 2.056 -11.448 -6.048 783 HA ILE 47 HA ILE 47 3.785 -10.457 -4.127 784 HB ILE 47 HB ILE 47 3.023 -9.236 -6.056 785 HG12 ILE 47 1HG1 ILE 47 2.287 -7.552 -3.626 786 HG13 ILE 47 2HG1 ILE 47 3.940 -8.110 -3.920 787 HG21 ILE 47 1HG2 ILE 47 0.864 -8.245 -6.298 788 HG22 ILE 47 2HG2 ILE 47 0.564 -9.954 -5.833 789 HG23 ILE 47 3HG2 ILE 47 0.415 -8.658 -4.587 790 HD11 ILE 47 3HD1 ILE 47 3.879 -7.053 -6.159 791 HD12 ILE 47 1HD1 ILE 47 2.292 -6.351 -5.745 792 HD13 ILE 47 2HD1 ILE 47 3.745 -5.934 -4.802 793 H ILE 48 H ILE 48 3.510 -9.164 -2.349 794 HA ILE 48 HA ILE 48 1.580 -10.215 -0.323 795 HB ILE 48 HB ILE 48 4.538 -9.566 -0.094 796 HG12 ILE 48 1HG1 ILE 48 4.781 -11.665 1.019 797 HG13 ILE 48 2HG1 ILE 48 3.051 -11.858 1.201 798 HG21 ILE 48 1HG2 ILE 48 2.474 -9.669 2.161 799 HG22 ILE 48 2HG2 ILE 48 4.221 -9.823 2.433 800 HG23 ILE 48 3HG2 ILE 48 3.571 -8.326 1.778 801 HD11 ILE 48 3HD1 ILE 48 4.473 -11.968 -1.477 802 HD12 ILE 48 1HD1 ILE 48 4.058 -13.386 -0.486 803 HD13 ILE 48 2HD1 ILE 48 2.766 -12.374 -1.134 804 H LYS 49 H LYS 49 3.761 -7.430 -1.076 805 HA LYS 49 HA LYS 49 1.443 -5.638 -0.514 806 HB2 LYS 49 1HB LYS 49 2.957 -5.898 1.513 807 HB3 LYS 49 2HB LYS 49 4.223 -5.083 0.571 808 HG2 LYS 49 1HG LYS 49 2.785 -3.080 0.346 809 HG3 LYS 49 2HG LYS 49 1.473 -3.929 1.160 810 HD2 LYS 49 1HD LYS 49 3.115 -4.192 3.154 811 HD3 LYS 49 2HD LYS 49 4.165 -3.067 2.284 812 HE2 LYS 49 1HE LYS 49 2.913 -1.749 3.802 813 HE3 LYS 49 2HE LYS 49 2.196 -1.444 2.216 814 HZ1 LYS 49 3HZ LYS 49 0.726 -2.157 4.355 815 HZ2 LYS 49 1HZ LYS 49 0.257 -2.602 2.804 816 HZ3 LYS 49 2HZ LYS 49 0.981 -3.663 3.661 817 H LEU 50 H LEU 50 1.319 -3.848 -1.609 818 HA LEU 50 HA LEU 50 3.539 -2.776 -3.235 819 HB2 LEU 50 1HB LEU 50 2.338 -3.993 -4.880 820 HB3 LEU 50 2HB LEU 50 0.800 -3.655 -4.117 821 HG LEU 50 HG LEU 50 0.851 -1.322 -4.870 822 HD11 LEU 50 1HD1 LEU 50 3.597 -1.583 -5.166 823 HD12 LEU 50 2HD1 LEU 50 3.014 -1.712 -6.837 824 HD13 LEU 50 3HD1 LEU 50 2.591 -0.283 -5.849 825 HD21 LEU 50 3HD2 LEU 50 1.181 -3.534 -6.930 826 HD22 LEU 50 1HD2 LEU 50 -0.323 -2.849 -6.242 827 HD23 LEU 50 2HD2 LEU 50 0.667 -1.869 -7.347 828 H ARG 51 H ARG 51 3.844 -0.769 -2.674 829 HA ARG 51 HA ARG 51 1.533 1.032 -2.133 830 HB2 ARG 51 1HB ARG 51 3.683 0.310 -0.394 831 HB3 ARG 51 2HB ARG 51 4.183 1.828 -1.091 832 HG2 ARG 51 1HG ARG 51 1.361 1.718 -0.044 833 HG3 ARG 51 2HG ARG 51 2.627 1.526 1.158 834 HD2 ARG 51 1HD ARG 51 2.396 3.873 -0.769 835 HD3 ARG 51 2HD ARG 51 1.949 3.906 0.936 836 HE ARG 51 HE ARG 51 4.360 3.354 1.464 837 HH11 ARG 51 2HH2 ARG 51 3.698 5.352 -1.397 838 HH12 ARG 51 1HH2 ARG 51 5.466 5.555 -1.609 839 HH21 ARG 51 1HH1 ARG 51 6.569 4.026 1.084 840 HH22 ARG 51 2HH1 ARG 51 6.776 5.052 -0.348 841 H LEU 52 H LEU 52 1.479 2.788 -3.479 842 HA LEU 52 HA LEU 52 3.972 3.662 -4.783 843 HB2 LEU 52 1HB LEU 52 3.075 2.214 -6.454 844 HB3 LEU 52 2HB LEU 52 1.466 2.857 -6.210 845 HG LEU 52 HG LEU 52 2.135 5.038 -7.193 846 HD11 LEU 52 1HD1 LEU 52 4.319 4.990 -8.530 847 HD12 LEU 52 2HD1 LEU 52 4.501 5.196 -6.776 848 HD13 LEU 52 3HD1 LEU 52 4.794 3.630 -7.518 849 HD21 LEU 52 3HD2 LEU 52 1.125 3.312 -8.580 850 HD22 LEU 52 1HD2 LEU 52 2.370 4.197 -9.494 851 HD23 LEU 52 2HD2 LEU 52 2.733 2.561 -8.868 852 H ASP 53 H ASP 53 4.177 5.778 -4.514 853 HA ASP 53 HA ASP 53 1.711 7.488 -4.308 854 HB2 ASP 53 1HB ASP 53 4.262 7.579 -2.667 855 HB3 ASP 53 2HB ASP 53 3.258 9.003 -2.874 856 H LYS 54 H LYS 54 1.725 9.362 -5.516 857 HA LYS 54 HA LYS 54 4.011 10.018 -7.252 858 HB2 LYS 54 1HB LYS 54 2.906 12.068 -7.730 859 HB3 LYS 54 2HB LYS 54 1.692 10.810 -7.663 860 HG2 LYS 54 1HG LYS 54 0.604 12.455 -6.492 861 HG3 LYS 54 2HG LYS 54 1.385 11.628 -5.143 862 HD2 LYS 54 1HD LYS 54 3.218 13.418 -5.260 863 HD3 LYS 54 2HD LYS 54 2.318 14.164 -6.573 864 HE2 LYS 54 1HE LYS 54 1.743 15.373 -4.629 865 HE3 LYS 54 2HE LYS 54 0.339 14.362 -4.989 866 HZ1 LYS 54 3HZ LYS 54 2.422 13.450 -3.115 867 HZ2 LYS 54 1HZ LYS 54 1.189 14.425 -2.593 868 HZ3 LYS 54 2HZ LYS 54 0.869 12.931 -3.236 869 H VAL 55 H VAL 55 5.518 11.687 -7.012 870 HA VAL 55 HA VAL 55 5.916 12.709 -4.261 871 HB VAL 55 HB VAL 55 8.298 11.968 -5.887 872 HG11 VAL 55 1HG1 VAL 55 9.393 11.954 -3.681 873 HG12 VAL 55 2HG1 VAL 55 8.690 13.514 -4.090 874 HG13 VAL 55 3HG1 VAL 55 7.853 12.441 -2.931 875 HG21 VAL 55 3HG2 VAL 55 6.979 10.168 -3.792 876 HG22 VAL 55 1HG2 VAL 55 7.138 9.786 -5.517 877 HG23 VAL 55 2HG2 VAL 55 8.584 9.901 -4.520 878 H LEU 56 H LEU 56 6.490 14.598 -4.171 879 HA LEU 56 HA LEU 56 7.161 16.521 -6.272 880 HB2 LEU 56 1HB LEU 56 4.773 15.920 -6.796 881 HB3 LEU 56 2HB LEU 56 4.331 16.277 -5.124 882 HG LEU 56 HG LEU 56 4.947 18.677 -5.484 883 HD11 LEU 56 1HD1 LEU 56 5.301 17.790 -8.394 884 HD12 LEU 56 2HD1 LEU 56 5.258 19.475 -7.827 885 HD13 LEU 56 3HD1 LEU 56 6.585 18.418 -7.340 886 HD21 LEU 56 3HD2 LEU 56 2.620 17.856 -5.771 887 HD22 LEU 56 1HD2 LEU 56 2.983 19.197 -6.869 888 HD23 LEU 56 2HD2 LEU 56 2.954 17.529 -7.489 Start of MODEL 9 1 H1 MET 1 1H MET 1 -6.131 -14.927 7.770 2 H2 MET 1 2H MET 1 -4.516 -15.270 7.687 3 H3 MET 1 3H MET 1 -5.012 -13.821 8.236 4 HA MET 1 HA MET 1 -5.564 -16.438 9.523 5 HB2 MET 1 1HB MET 1 -4.060 -15.792 11.288 6 HB3 MET 1 2HB MET 1 -3.236 -15.827 9.738 7 HG2 MET 1 1HG MET 1 -3.185 -13.403 9.624 8 HG3 MET 1 2HG MET 1 -4.195 -13.268 11.077 9 HE1 MET 1 3HE MET 1 -2.654 -11.673 11.807 10 HE2 MET 1 1HE MET 1 -1.407 -12.122 12.998 11 HE3 MET 1 2HE MET 1 -0.952 -11.849 11.295 12 H VAL 2 H VAL 2 -5.626 -14.902 12.172 13 HA VAL 2 HA VAL 2 -8.365 -14.176 12.336 14 HB VAL 2 HB VAL 2 -7.694 -12.944 14.371 15 HG11 VAL 2 1HG1 VAL 2 -6.154 -15.440 14.735 16 HG12 VAL 2 2HG1 VAL 2 -7.597 -14.839 15.556 17 HG13 VAL 2 3HG1 VAL 2 -7.738 -15.668 14.005 18 HG21 VAL 2 3HG2 VAL 2 -5.450 -12.116 13.658 19 HG22 VAL 2 1HG2 VAL 2 -5.420 -12.973 15.203 20 HG23 VAL 2 2HG2 VAL 2 -4.829 -13.773 13.740 21 H GLN 3 H GLN 3 -9.181 -11.982 12.860 22 HA GLN 3 HA GLN 3 -8.883 -10.338 10.570 23 HB2 GLN 3 1HB GLN 3 -10.365 -9.927 13.194 24 HB3 GLN 3 2HB GLN 3 -10.557 -8.932 11.746 25 HG2 GLN 3 1HG GLN 3 -11.220 -11.900 11.982 26 HG3 GLN 3 2HG GLN 3 -12.368 -10.558 11.950 27 HE21 GLN 3 1HE2 GLN 3 -12.299 -9.133 9.895 28 HE22 GLN 3 2HE2 GLN 3 -11.979 -10.065 8.417 29 H ASN 4 H ASN 4 -6.618 -10.003 10.865 30 HA ASN 4 HA ASN 4 -5.843 -7.656 12.519 31 HB2 ASN 4 1HB ASN 4 -3.609 -8.254 12.010 32 HB3 ASN 4 2HB ASN 4 -4.432 -9.770 12.385 33 HD21 ASN 4 1HD2 ASN 4 -5.203 -11.103 10.330 34 HD22 ASN 4 2HD2 ASN 4 -4.197 -10.970 8.907 35 H ASP 5 H ASP 5 -6.761 -8.478 9.320 36 HA ASP 5 HA ASP 5 -6.507 -5.695 8.441 37 HB2 ASP 5 1HB ASP 5 -4.573 -7.413 7.667 38 HB3 ASP 5 2HB ASP 5 -5.792 -7.894 6.491 39 H PHE 6 H PHE 6 -7.611 -5.982 5.978 40 HA PHE 6 HA PHE 6 -10.377 -6.908 6.423 41 HB2 PHE 6 1HB PHE 6 -9.032 -6.110 3.833 42 HB3 PHE 6 2HB PHE 6 -10.761 -6.154 4.179 43 HD1 PHE 6 2HD PHE 6 -10.988 -4.622 6.731 44 HD2 PHE 6 1HD PHE 6 -8.469 -3.987 3.298 45 HE1 PHE 6 2HE PHE 6 -11.020 -2.169 7.143 46 HE2 PHE 6 1HE PHE 6 -8.506 -1.565 3.688 47 HZ PHE 6 HZ PHE 6 -9.793 -0.631 5.610 48 H VAL 7 H VAL 7 -9.207 -9.075 7.028 49 HA VAL 7 HA VAL 7 -7.939 -10.616 5.042 50 HB VAL 7 HB VAL 7 -9.266 -11.628 7.571 51 HG11 VAL 7 1HG1 VAL 7 -6.979 -12.744 5.877 52 HG12 VAL 7 2HG1 VAL 7 -7.607 -13.427 7.397 53 HG13 VAL 7 3HG1 VAL 7 -8.620 -13.430 5.960 54 HG21 VAL 7 3HG2 VAL 7 -7.694 -9.882 8.161 55 HG22 VAL 7 1HG2 VAL 7 -6.963 -11.440 8.516 56 HG23 VAL 7 2HG2 VAL 7 -6.461 -10.547 7.065 57 H ASP 8 H ASP 8 -8.968 -10.895 3.213 58 HA ASP 8 HA ASP 8 -10.657 -13.275 3.093 59 HB2 ASP 8 1HB ASP 8 -12.377 -11.507 3.303 60 HB3 ASP 8 2HB ASP 8 -11.666 -10.616 1.958 61 H SER 9 H SER 9 -10.196 -10.690 0.727 62 HA SER 9 HA SER 9 -7.838 -11.931 -0.453 63 HB2 SER 9 1HB SER 9 -9.973 -12.897 -1.557 64 HB3 SER 9 2HB SER 9 -10.168 -11.282 -2.272 65 HG SER 9 HG SER 9 -8.716 -11.851 -3.640 66 H TYR 10 H TYR 10 -7.292 -10.341 -2.435 67 HA TYR 10 HA TYR 10 -5.877 -8.542 -0.979 68 HB2 TYR 10 1HB TYR 10 -6.661 -8.401 -3.917 69 HB3 TYR 10 2HB TYR 10 -5.508 -7.307 -3.199 70 HD1 TYR 10 1HD TYR 10 -6.076 -11.006 -3.773 71 HD2 TYR 10 2HD TYR 10 -3.299 -7.809 -3.038 72 HE1 TYR 10 1HE TYR 10 -4.178 -12.536 -4.280 73 HE2 TYR 10 2HE TYR 10 -1.394 -9.332 -3.589 74 HH TYR 10 HH TYR 10 -0.743 -11.499 -4.099 75 H ASP 11 H ASP 11 -5.880 -6.489 -0.394 76 HA ASP 11 HA ASP 11 -8.231 -4.716 -0.910 77 HB2 ASP 11 1HB ASP 11 -7.866 -4.937 1.418 78 HB3 ASP 11 2HB ASP 11 -6.111 -4.825 1.238 79 H VAL 12 H VAL 12 -7.967 -3.046 -2.169 80 HA VAL 12 HA VAL 12 -5.251 -2.085 -2.884 81 HB VAL 12 HB VAL 12 -7.605 -2.276 -4.783 82 HG11 VAL 12 1HG1 VAL 12 -6.087 -0.358 -5.201 83 HG12 VAL 12 2HG1 VAL 12 -4.693 -1.456 -5.180 84 HG13 VAL 12 3HG1 VAL 12 -5.926 -1.595 -6.445 85 HG21 VAL 12 3HG2 VAL 12 -5.038 -3.892 -4.677 86 HG22 VAL 12 1HG2 VAL 12 -6.659 -4.514 -4.348 87 HG23 VAL 12 2HG2 VAL 12 -6.264 -3.937 -5.970 88 H THR 13 H THR 13 -5.216 -0.428 -1.535 89 HA THR 13 HA THR 13 -7.432 1.544 -1.305 90 HB THR 13 HB THR 13 -4.637 1.696 -0.154 91 HG1 THR 13 1HG THR 13 -6.330 -0.119 0.502 92 HG21 THR 13 3HG2 THR 13 -6.506 2.904 1.564 93 HG22 THR 13 1HG2 THR 13 -5.315 3.717 0.561 94 HG23 THR 13 2HG2 THR 13 -6.964 3.463 -0.034 95 H MET 14 H MET 14 -7.643 2.623 -3.223 96 HA MET 14 HA MET 14 -5.160 3.763 -4.488 97 HB2 MET 14 1HB MET 14 -6.103 1.809 -5.726 98 HB3 MET 14 2HB MET 14 -7.616 2.712 -5.928 99 HG2 MET 14 1HG MET 14 -6.312 4.507 -7.104 100 HG3 MET 14 2HG MET 14 -4.863 3.511 -6.973 101 HE1 MET 14 3HE MET 14 -4.345 1.464 -8.625 102 HE2 MET 14 1HE MET 14 -5.617 0.654 -7.670 103 HE3 MET 14 2HE MET 14 -5.653 0.582 -9.445 104 H LEU 15 H LEU 15 -5.200 5.756 -5.162 105 HA LEU 15 HA LEU 15 -7.613 7.464 -4.925 106 HB2 LEU 15 1HB LEU 15 -6.387 7.648 -2.846 107 HB3 LEU 15 2HB LEU 15 -4.867 7.653 -3.726 108 HG LEU 15 HG LEU 15 -5.447 9.875 -4.693 109 HD11 LEU 15 1HD1 LEU 15 -7.205 10.915 -2.725 110 HD12 LEU 15 2HD1 LEU 15 -7.465 10.769 -4.478 111 HD13 LEU 15 3HD1 LEU 15 -7.919 9.494 -3.432 112 HD21 LEU 15 3HD2 LEU 15 -4.483 10.995 -2.963 113 HD22 LEU 15 1HD2 LEU 15 -5.444 10.197 -1.713 114 HD23 LEU 15 2HD2 LEU 15 -4.121 9.351 -2.451 115 H LEU 16 H LEU 16 -7.871 8.740 -6.592 116 HA LEU 16 HA LEU 16 -5.622 9.344 -8.465 117 HB2 LEU 16 1HB LEU 16 -8.455 8.632 -9.298 118 HB3 LEU 16 2HB LEU 16 -7.074 8.956 -10.321 119 HG LEU 16 HG LEU 16 -6.152 6.794 -8.814 120 HD11 LEU 16 1HD1 LEU 16 -8.461 6.488 -7.882 121 HD12 LEU 16 2HD1 LEU 16 -9.075 6.339 -9.542 122 HD13 LEU 16 3HD1 LEU 16 -7.955 5.126 -8.905 123 HD21 LEU 16 3HD2 LEU 16 -5.851 7.084 -11.212 124 HD22 LEU 16 1HD2 LEU 16 -6.572 5.494 -10.874 125 HD23 LEU 16 2HD2 LEU 16 -7.580 6.792 -11.490 126 H GLN 17 H GLN 17 -6.480 11.059 -10.100 127 HA GLN 17 HA GLN 17 -8.242 13.023 -8.757 128 HB2 GLN 17 1HB GLN 17 -5.893 13.538 -8.155 129 HB3 GLN 17 2HB GLN 17 -5.497 13.690 -9.874 130 HG2 GLN 17 1HG GLN 17 -7.082 15.554 -10.101 131 HG3 GLN 17 2HG GLN 17 -7.638 15.333 -8.435 132 HE21 GLN 17 1HE2 GLN 17 -5.240 16.802 -10.473 133 HE22 GLN 17 2HE2 GLN 17 -4.306 17.480 -9.128 134 H ASP 18 H ASP 18 -9.763 13.625 -10.030 135 HA ASP 18 HA ASP 18 -9.881 12.963 -12.835 136 HB2 ASP 18 1HB ASP 18 -11.795 13.079 -11.245 137 HB3 ASP 18 2HB ASP 18 -11.551 14.828 -11.097 138 H ASP 19 H ASP 19 -10.318 14.571 -14.554 139 HA ASP 19 HA ASP 19 -8.224 16.514 -14.743 140 HB2 ASP 19 1HB ASP 19 -9.084 16.981 -16.907 141 HB3 ASP 19 2HB ASP 19 -9.213 15.239 -16.640 142 H ASP 20 H ASP 20 -11.497 16.835 -13.496 143 HA ASP 20 HA ASP 20 -11.485 19.762 -13.553 144 HB2 ASP 20 1HB ASP 20 -13.499 18.257 -13.496 145 HB3 ASP 20 2HB ASP 20 -13.049 17.790 -11.845 146 H GLY 21 H GLY 21 -9.676 17.524 -11.817 147 HA2 GLY 21 1HA GLY 21 -8.052 17.993 -10.231 148 HA3 GLY 21 2HA GLY 21 -8.880 19.490 -9.762 149 H LYS 22 H LYS 22 -11.037 16.879 -9.891 150 HA LYS 22 HA LYS 22 -11.313 16.860 -6.968 151 HB2 LYS 22 1HB LYS 22 -12.845 15.434 -9.179 152 HB3 LYS 22 2HB LYS 22 -13.220 15.341 -7.450 153 HG2 LYS 22 1HG LYS 22 -13.359 17.900 -7.452 154 HG3 LYS 22 2HG LYS 22 -13.291 17.815 -9.228 155 HD2 LYS 22 1HD LYS 22 -15.272 16.314 -9.196 156 HD3 LYS 22 2HD LYS 22 -15.290 16.379 -7.427 157 HE2 LYS 22 1HE LYS 22 -16.764 18.041 -7.697 158 HE3 LYS 22 2HE LYS 22 -15.311 19.052 -7.942 159 HZ1 LYS 22 3HZ LYS 22 -15.525 18.835 -10.228 160 HZ2 LYS 22 1HZ LYS 22 -16.723 17.673 -10.091 161 HZ3 LYS 22 2HZ LYS 22 -17.008 19.264 -9.658 162 H GLN 23 H GLN 23 -10.175 15.594 -5.737 163 HA GLN 23 HA GLN 23 -8.957 13.132 -6.740 164 HB2 GLN 23 1HB GLN 23 -8.962 14.516 -4.036 165 HB3 GLN 23 2HB GLN 23 -8.261 12.907 -4.298 166 HG2 GLN 23 1HG GLN 23 -6.838 13.809 -6.105 167 HG3 GLN 23 2HG GLN 23 -7.474 15.433 -5.790 168 HE21 GLN 23 1HE2 GLN 23 -5.084 15.754 -5.653 169 HE22 GLN 23 2HE2 GLN 23 -4.380 15.504 -4.018 170 H TYR 24 H TYR 24 -9.602 11.096 -6.393 171 HA TYR 24 HA TYR 24 -11.840 10.592 -4.518 172 HB2 TYR 24 1HB TYR 24 -13.216 9.505 -6.104 173 HB3 TYR 24 2HB TYR 24 -12.864 11.109 -6.713 174 HD1 TYR 24 1HD TYR 24 -11.327 11.421 -8.671 175 HD2 TYR 24 2HD TYR 24 -12.501 7.516 -7.267 176 HE1 TYR 24 1HE TYR 24 -10.635 10.431 -10.847 177 HE2 TYR 24 2HE TYR 24 -11.779 6.524 -9.446 178 HH TYR 24 HH TYR 24 -10.647 8.568 -12.205 179 H TYR 25 H TYR 25 -11.950 8.545 -3.691 180 HA TYR 25 HA TYR 25 -9.883 6.610 -4.473 181 HB2 TYR 25 1HB TYR 25 -8.628 6.774 -2.562 182 HB3 TYR 25 2HB TYR 25 -9.237 8.420 -2.613 183 HD1 TYR 25 1HD TYR 25 -11.022 9.272 -1.270 184 HD2 TYR 25 2HD TYR 25 -9.119 5.455 -0.717 185 HE1 TYR 25 1HE TYR 25 -11.850 9.215 1.089 186 HE2 TYR 25 2HE TYR 25 -9.939 5.378 1.632 187 HH TYR 25 HH TYR 25 -12.176 7.322 3.013 188 H GLU 26 H GLU 26 -10.012 4.624 -3.252 189 HA GLU 26 HA GLU 26 -12.006 4.273 -1.281 190 HB2 GLU 26 1HB GLU 26 -12.903 3.565 -3.933 191 HB3 GLU 26 2HB GLU 26 -12.661 2.063 -3.057 192 HG2 GLU 26 1HG GLU 26 -14.286 4.411 -1.978 193 HG3 GLU 26 2HG GLU 26 -14.960 3.098 -2.944 194 H TYR 27 H TYR 27 -11.912 2.237 -0.258 195 HA TYR 27 HA TYR 27 -9.385 0.679 -0.486 196 HB2 TYR 27 1HB TYR 27 -11.821 0.423 1.325 197 HB3 TYR 27 2HB TYR 27 -10.385 -0.601 1.379 198 HD1 TYR 27 2HD TYR 27 -8.277 0.197 2.240 199 HD2 TYR 27 1HD TYR 27 -11.780 2.714 2.164 200 HE1 TYR 27 2HE TYR 27 -7.201 1.742 3.880 201 HE2 TYR 27 1HE TYR 27 -10.719 4.253 3.805 202 HH TYR 27 HH TYR 27 -8.862 4.656 5.066 203 H HIS 28 H HIS 28 -9.646 -0.215 -2.572 204 HA HIS 28 HA HIS 28 -12.185 -1.569 -3.277 205 HB2 HIS 28 1HB HIS 28 -9.564 -1.268 -4.790 206 HB3 HIS 28 2HB HIS 28 -11.035 -1.997 -5.424 207 HD1 HIS 28 1HD HIS 28 -13.111 -0.293 -5.853 208 HD2 HIS 28 2HD HIS 28 -9.376 1.365 -4.826 209 HE1 HIS 28 1HE HIS 28 -13.205 2.192 -6.562 210 HE2 HIS 28 2HE HIS 28 -10.916 3.201 -5.915 211 H LYS 29 H LYS 29 -12.325 -3.234 -1.858 212 HA LYS 29 HA LYS 29 -10.054 -5.160 -1.722 213 HB2 LYS 29 1HB LYS 29 -10.462 -5.327 0.660 214 HB3 LYS 29 2HB LYS 29 -10.245 -3.637 0.198 215 HG2 LYS 29 1HG LYS 29 -12.740 -3.334 0.205 216 HG3 LYS 29 2HG LYS 29 -12.912 -5.015 0.740 217 HD2 LYS 29 1HD LYS 29 -11.638 -4.535 2.776 218 HD3 LYS 29 2HD LYS 29 -11.279 -2.901 2.208 219 HE2 LYS 29 1HE LYS 29 -13.003 -2.759 3.844 220 HE3 LYS 29 2HE LYS 29 -13.675 -2.336 2.253 221 HZ1 LYS 29 3HZ LYS 29 -14.462 -4.405 4.008 222 HZ2 LYS 29 1HZ LYS 29 -15.182 -3.925 2.610 223 HZ3 LYS 29 2HZ LYS 29 -14.003 -5.063 2.577 224 H GLY 30 H GLY 30 -10.518 -7.233 -0.739 225 HA2 GLY 30 1HA GLY 30 -11.608 -9.286 -0.783 226 HA3 GLY 30 2HA GLY 30 -13.134 -8.462 -1.152 227 H LEU 31 H LEU 31 -10.080 -8.247 -3.011 228 HA LEU 31 HA LEU 31 -11.332 -9.672 -5.284 229 HB2 LEU 31 1HB LEU 31 -10.888 -7.804 -6.802 230 HB3 LEU 31 2HB LEU 31 -12.092 -7.476 -5.593 231 HG LEU 31 HG LEU 31 -10.517 -6.090 -4.298 232 HD11 LEU 31 1HD1 LEU 31 -8.314 -6.922 -4.924 233 HD12 LEU 31 2HD1 LEU 31 -8.598 -6.495 -6.632 234 HD13 LEU 31 3HD1 LEU 31 -8.480 -5.238 -5.396 235 HD21 LEU 31 3HD2 LEU 31 -10.472 -4.221 -5.938 236 HD22 LEU 31 1HD2 LEU 31 -10.844 -5.362 -7.233 237 HD23 LEU 31 2HD2 LEU 31 -12.022 -5.085 -5.936 238 H SER 32 H SER 32 -9.283 -9.030 -7.193 239 HA SER 32 HA SER 32 -6.876 -10.154 -5.848 240 HB2 SER 32 1HB SER 32 -6.819 -12.054 -7.143 241 HB3 SER 32 2HB SER 32 -8.531 -11.916 -6.739 242 HG SER 32 HG SER 32 -8.953 -11.062 -8.787 243 H LEU 33 H LEU 33 -5.178 -10.630 -7.720 244 HA LEU 33 HA LEU 33 -4.242 -8.033 -8.403 245 HB2 LEU 33 1HB LEU 33 -3.405 -10.799 -9.323 246 HB3 LEU 33 2HB LEU 33 -2.515 -9.332 -9.695 247 HG LEU 33 HG LEU 33 -3.036 -10.371 -6.877 248 HD11 LEU 33 1HD1 LEU 33 -1.242 -11.674 -7.182 249 HD12 LEU 33 2HD1 LEU 33 -1.145 -11.182 -8.873 250 HD13 LEU 33 3HD1 LEU 33 -0.255 -10.309 -7.676 251 HD21 LEU 33 3HD2 LEU 33 -2.659 -8.168 -6.365 252 HD22 LEU 33 1HD2 LEU 33 -0.999 -8.612 -6.616 253 HD23 LEU 33 2HD2 LEU 33 -1.871 -7.822 -7.913 254 H SER 34 H SER 34 -5.997 -10.442 -10.436 255 HA SER 34 HA SER 34 -5.752 -8.908 -12.856 256 HB2 SER 34 1HB SER 34 -7.793 -10.979 -11.931 257 HB3 SER 34 2HB SER 34 -7.617 -10.374 -13.589 258 HG SER 34 HG SER 34 -5.433 -11.155 -13.507 259 H ASP 35 H ASP 35 -7.895 -8.662 -10.071 260 HA ASP 35 HA ASP 35 -9.826 -6.896 -11.425 261 HB2 ASP 35 1HB ASP 35 -9.389 -7.622 -8.506 262 HB3 ASP 35 2HB ASP 35 -10.707 -6.614 -9.113 263 H PHE 36 H PHE 36 -6.988 -6.616 -9.325 264 HA PHE 36 HA PHE 36 -6.983 -3.759 -9.011 265 HB2 PHE 36 1HB PHE 36 -5.473 -4.992 -7.684 266 HB3 PHE 36 2HB PHE 36 -4.905 -5.940 -9.024 267 HD1 PHE 36 2HD PHE 36 -5.117 -2.238 -8.370 268 HD2 PHE 36 1HD PHE 36 -2.712 -5.585 -9.614 269 HE1 PHE 36 2HE PHE 36 -3.225 -0.699 -8.851 270 HE2 PHE 36 1HE PHE 36 -0.819 -4.052 -10.077 271 HZ PHE 36 HZ PHE 36 -1.085 -1.609 -9.710 272 H GLU 37 H GLU 37 -5.537 -5.866 -11.576 273 HA GLU 37 HA GLU 37 -4.653 -3.752 -13.252 274 HB2 GLU 37 1HB GLU 37 -5.462 -6.641 -13.727 275 HB3 GLU 37 2HB GLU 37 -4.930 -5.584 -15.042 276 HG2 GLU 37 1HG GLU 37 -2.817 -5.114 -13.862 277 HG3 GLU 37 2HG GLU 37 -3.328 -6.120 -12.502 278 H VAL 38 H VAL 38 -7.913 -5.141 -12.944 279 HA VAL 38 HA VAL 38 -8.984 -3.553 -15.150 280 HB VAL 38 HB VAL 38 -10.347 -4.856 -12.773 281 HG11 VAL 38 1HG1 VAL 38 -12.451 -4.502 -14.047 282 HG12 VAL 38 2HG1 VAL 38 -11.757 -2.984 -13.481 283 HG13 VAL 38 3HG1 VAL 38 -11.563 -3.457 -15.179 284 HG21 VAL 38 3HG2 VAL 38 -9.287 -6.015 -15.097 285 HG22 VAL 38 1HG2 VAL 38 -10.540 -6.702 -14.067 286 HG23 VAL 38 2HG2 VAL 38 -10.973 -5.778 -15.508 287 H LEU 39 H LEU 39 -8.918 -3.022 -11.571 288 HA LEU 39 HA LEU 39 -10.216 -0.523 -11.583 289 HB2 LEU 39 1HB LEU 39 -9.749 -1.809 -9.567 290 HB3 LEU 39 2HB LEU 39 -8.016 -1.656 -9.819 291 HG LEU 39 HG LEU 39 -8.195 0.816 -9.469 292 HD11 LEU 39 1HD1 LEU 39 -11.021 0.151 -8.545 293 HD12 LEU 39 2HD1 LEU 39 -10.197 1.731 -8.427 294 HD13 LEU 39 3HD1 LEU 39 -10.620 1.071 -10.010 295 HD21 LEU 39 3HD2 LEU 39 -7.554 -0.811 -7.724 296 HD22 LEU 39 1HD2 LEU 39 -8.400 0.582 -7.034 297 HD23 LEU 39 2HD2 LEU 39 -9.249 -0.977 -7.247 298 H TYR 40 H TYR 40 -6.714 -1.163 -11.817 299 HA TYR 40 HA TYR 40 -5.867 1.548 -12.083 300 HB2 TYR 40 1HB TYR 40 -4.412 -0.258 -11.404 301 HB3 TYR 40 2HB TYR 40 -4.697 -1.129 -12.902 302 HD1 TYR 40 2HD TYR 40 -3.562 2.333 -11.898 303 HD2 TYR 40 1HD TYR 40 -2.932 -1.142 -14.361 304 HE1 TYR 40 2HE TYR 40 -1.519 3.392 -12.882 305 HE2 TYR 40 1HE TYR 40 -0.892 -0.100 -15.331 306 HH TYR 40 HH TYR 40 0.502 1.770 -15.408 307 H GLY 41 H GLY 41 -6.897 -0.823 -14.570 308 HA2 GLY 41 1HA GLY 41 -6.160 0.931 -16.790 309 HA3 GLY 41 2HA GLY 41 -6.998 -0.625 -16.870 310 H ASN 42 H ASN 42 -9.136 0.355 -14.955 311 HA ASN 42 HA ASN 42 -10.858 1.530 -17.007 312 HB2 ASN 42 1HB ASN 42 -11.577 -0.367 -15.613 313 HB3 ASN 42 2HB ASN 42 -11.291 0.562 -14.136 314 HD21 ASN 42 1HD2 ASN 42 -13.285 0.421 -17.096 315 HD22 ASN 42 2HD2 ASN 42 -14.619 1.311 -16.343 316 H THR 43 H THR 43 -9.503 2.457 -13.843 317 HA THR 43 HA THR 43 -11.025 4.878 -13.662 318 HB THR 43 HB THR 43 -9.308 5.552 -11.935 319 HG1 THR 43 1HG THR 43 -8.392 2.875 -12.141 320 HG21 THR 43 3HG2 THR 43 -9.974 3.856 -10.287 321 HG22 THR 43 1HG2 THR 43 -11.347 4.420 -11.264 322 HG23 THR 43 2HG2 THR 43 -10.621 2.834 -11.596 323 H ALA 44 H ALA 44 -7.681 4.276 -14.558 324 HA ALA 44 HA ALA 44 -6.127 5.342 -15.763 325 HB1 ALA 44 3HB ALA 44 -6.917 5.338 -17.855 326 HB2 ALA 44 1HB ALA 44 -8.552 5.246 -17.207 327 HB3 ALA 44 2HB ALA 44 -7.854 6.809 -17.576 328 H ASP 45 H ASP 45 -7.848 7.331 -13.787 329 HA ASP 45 HA ASP 45 -6.797 9.892 -14.608 330 HB2 ASP 45 1HB ASP 45 -8.309 8.836 -12.218 331 HB3 ASP 45 2HB ASP 45 -7.763 10.508 -12.279 332 H GLU 46 H GLU 46 -4.740 8.277 -14.515 333 HA GLU 46 HA GLU 46 -2.506 8.362 -14.194 334 HB2 GLU 46 1HB GLU 46 -3.296 11.151 -13.307 335 HB3 GLU 46 2HB GLU 46 -1.668 10.659 -13.784 336 HG2 GLU 46 1HG GLU 46 -2.345 10.117 -16.018 337 HG3 GLU 46 2HG GLU 46 -4.058 10.288 -15.624 338 H ILE 47 H ILE 47 -4.184 8.413 -11.366 339 HA ILE 47 HA ILE 47 -3.747 7.690 -9.267 340 HB ILE 47 HB ILE 47 -0.976 6.976 -10.259 341 HG12 ILE 47 1HG1 ILE 47 -2.814 5.816 -11.539 342 HG13 ILE 47 2HG1 ILE 47 -1.702 4.788 -10.680 343 HG21 ILE 47 1HG2 ILE 47 -0.820 6.955 -7.906 344 HG22 ILE 47 2HG2 ILE 47 -2.424 6.250 -7.703 345 HG23 ILE 47 3HG2 ILE 47 -1.121 5.274 -8.381 346 HD11 ILE 47 3HD1 ILE 47 -4.594 5.169 -10.237 347 HD12 ILE 47 1HD1 ILE 47 -3.601 3.736 -10.027 348 HD13 ILE 47 2HD1 ILE 47 -3.694 4.956 -8.777 349 H ILE 48 H ILE 48 -3.184 8.432 -7.417 350 HA ILE 48 HA ILE 48 -1.055 10.526 -7.135 351 HB ILE 48 HB ILE 48 -3.709 10.413 -5.690 352 HG12 ILE 48 1HG1 ILE 48 -4.007 11.342 -7.930 353 HG13 ILE 48 2HG1 ILE 48 -4.288 12.521 -6.660 354 HG21 ILE 48 1HG2 ILE 48 -2.002 11.155 -4.137 355 HG22 ILE 48 2HG2 ILE 48 -1.368 12.312 -5.312 356 HG23 ILE 48 3HG2 ILE 48 -2.989 12.539 -4.607 357 HD11 ILE 48 3HD1 ILE 48 -2.125 13.594 -7.098 358 HD12 ILE 48 1HD1 ILE 48 -1.731 12.357 -8.315 359 HD13 ILE 48 2HD1 ILE 48 -3.079 13.478 -8.583 360 H LYS 49 H LYS 49 -3.066 8.054 -5.469 361 HA LYS 49 HA LYS 49 -0.561 6.955 -4.333 362 HB2 LYS 49 1HB LYS 49 -3.062 7.352 -2.651 363 HB3 LYS 49 2HB LYS 49 -1.620 6.478 -2.183 364 HG2 LYS 49 1HG LYS 49 -0.313 8.612 -2.437 365 HG3 LYS 49 2HG LYS 49 -1.827 9.472 -2.692 366 HD2 LYS 49 1HD LYS 49 -2.682 8.614 -0.516 367 HD3 LYS 49 2HD LYS 49 -1.134 7.826 -0.224 368 HE2 LYS 49 1HE LYS 49 -1.474 10.834 -0.643 369 HE3 LYS 49 2HE LYS 49 -1.476 10.032 0.945 370 HZ1 LYS 49 3HZ LYS 49 0.708 9.022 0.099 371 HZ2 LYS 49 1HZ LYS 49 0.828 10.102 -0.936 372 HZ3 LYS 49 2HZ LYS 49 0.793 10.551 0.670 373 H LEU 50 H LEU 50 -0.555 4.834 -3.970 374 HA LEU 50 HA LEU 50 -2.919 3.123 -4.449 375 HB2 LEU 50 1HB LEU 50 -2.008 3.287 -6.636 376 HB3 LEU 50 2HB LEU 50 -0.355 3.247 -6.049 377 HG LEU 50 HG LEU 50 -0.565 0.854 -5.484 378 HD11 LEU 50 1HD1 LEU 50 -2.900 0.502 -4.994 379 HD12 LEU 50 2HD1 LEU 50 -3.386 1.183 -6.547 380 HD13 LEU 50 3HD1 LEU 50 -2.570 -0.386 -6.455 381 HD21 LEU 50 3HD2 LEU 50 -1.168 1.824 -8.279 382 HD22 LEU 50 1HD2 LEU 50 0.334 1.170 -7.620 383 HD23 LEU 50 2HD2 LEU 50 -1.014 0.102 -7.951 384 H ARG 51 H ARG 51 -2.956 1.622 -2.893 385 HA ARG 51 HA ARG 51 -0.400 0.371 -2.034 386 HB2 ARG 51 1HB ARG 51 -1.254 2.015 -0.302 387 HB3 ARG 51 2HB ARG 51 -2.723 1.037 -0.202 388 HG2 ARG 51 1HG ARG 51 -1.445 -0.902 0.573 389 HG3 ARG 51 2HG ARG 51 0.069 0.016 0.404 390 HD2 ARG 51 1HD ARG 51 -0.627 1.628 2.054 391 HD3 ARG 51 2HD ARG 51 -2.256 0.950 2.144 392 HE ARG 51 HE ARG 51 0.069 0.104 3.584 393 HH11 ARG 51 2HH2 ARG 51 -2.884 -1.359 2.242 394 HH12 ARG 51 1HH2 ARG 51 -2.938 -2.545 3.499 395 HH21 ARG 51 1HH1 ARG 51 -0.125 -1.419 5.156 396 HH22 ARG 51 2HH1 ARG 51 -1.356 -2.648 5.015 397 H LEU 52 H LEU 52 -0.564 -1.830 -1.857 398 HA LEU 52 HA LEU 52 -3.201 -3.094 -2.089 399 HB2 LEU 52 1HB LEU 52 -2.623 -2.809 -4.327 400 HB3 LEU 52 2HB LEU 52 -0.985 -3.334 -4.100 401 HG LEU 52 HG LEU 52 -3.280 -5.249 -3.739 402 HD11 LEU 52 1HD1 LEU 52 -1.848 -5.417 -6.333 403 HD12 LEU 52 2HD1 LEU 52 -3.569 -5.455 -6.002 404 HD13 LEU 52 3HD1 LEU 52 -2.720 -3.929 -6.168 405 HD21 LEU 52 3HD2 LEU 52 -0.830 -5.900 -3.028 406 HD22 LEU 52 1HD2 LEU 52 -1.647 -6.967 -4.151 407 HD23 LEU 52 2HD2 LEU 52 -0.457 -5.819 -4.717 408 H ASP 53 H ASP 53 -3.309 -5.132 -1.187 409 HA ASP 53 HA ASP 53 -0.888 -6.273 0.125 410 HB2 ASP 53 1HB ASP 53 -2.102 -4.351 1.442 411 HB3 ASP 53 2HB ASP 53 -3.409 -5.509 1.657 412 H LYS 54 H LYS 54 -1.022 -8.544 -0.048 413 HA LYS 54 HA LYS 54 -3.594 -9.670 -0.781 414 HB2 LYS 54 1HB LYS 54 -2.606 -11.674 -1.110 415 HB3 LYS 54 2HB LYS 54 -1.295 -10.551 -1.458 416 HG2 LYS 54 1HG LYS 54 -0.006 -11.276 0.307 417 HG3 LYS 54 2HG LYS 54 -1.357 -11.603 1.354 418 HD2 LYS 54 1HD LYS 54 -0.203 -13.659 0.688 419 HD3 LYS 54 2HD LYS 54 -1.907 -13.632 0.201 420 HE2 LYS 54 1HE LYS 54 -1.146 -12.899 -2.117 421 HE3 LYS 54 2HE LYS 54 0.518 -13.150 -1.596 422 HZ1 LYS 54 3HZ LYS 54 -0.101 -15.463 -1.112 423 HZ2 LYS 54 1HZ LYS 54 -1.614 -15.188 -1.696 424 HZ3 LYS 54 2HZ LYS 54 -0.311 -15.111 -2.715 425 H VAL 55 H VAL 55 -3.553 -8.420 1.645 426 HA VAL 55 HA VAL 55 -4.175 -8.528 3.890 427 HB VAL 55 HB VAL 55 -6.518 -9.084 4.048 428 HG11 VAL 55 1HG1 VAL 55 -5.547 -7.278 1.838 429 HG12 VAL 55 2HG1 VAL 55 -7.225 -7.308 2.365 430 HG13 VAL 55 3HG1 VAL 55 -5.947 -6.868 3.503 431 HG21 VAL 55 3HG2 VAL 55 -6.797 -10.904 2.394 432 HG22 VAL 55 1HG2 VAL 55 -7.852 -9.537 2.067 433 HG23 VAL 55 2HG2 VAL 55 -6.382 -9.771 1.101 434 H LEU 56 H LEU 56 -3.143 -9.547 5.186 435 HA LEU 56 HA LEU 56 -2.219 -12.118 5.119 436 HB2 LEU 56 1HB LEU 56 -1.189 -10.201 6.258 437 HB3 LEU 56 2HB LEU 56 -2.454 -10.226 7.484 438 HG LEU 56 HG LEU 56 -1.662 -12.402 8.316 439 HD11 LEU 56 1HD1 LEU 56 0.517 -13.294 7.513 440 HD12 LEU 56 2HD1 LEU 56 -0.747 -13.410 6.281 441 HD13 LEU 56 3HD1 LEU 56 0.483 -12.128 6.169 442 HD21 LEU 56 3HD2 LEU 56 0.577 -10.373 7.962 443 HD22 LEU 56 1HD2 LEU 56 -0.728 -10.267 9.162 444 HD23 LEU 56 2HD2 LEU 56 0.448 -11.596 9.246 445 H1 MET 1 1H MET 1 9.506 18.448 -5.764 446 H2 MET 1 2H MET 1 9.756 17.914 -4.258 447 H3 MET 1 3H MET 1 10.895 17.641 -5.459 448 HA MET 1 HA MET 1 11.767 19.689 -5.305 449 HB2 MET 1 1HB MET 1 9.009 20.643 -4.333 450 HB3 MET 1 2HB MET 1 10.449 21.673 -4.517 451 HG2 MET 1 1HG MET 1 9.059 20.168 -6.751 452 HG3 MET 1 2HG MET 1 9.169 21.910 -6.496 453 HE1 MET 1 3HE MET 1 11.729 22.364 -8.973 454 HE2 MET 1 1HE MET 1 10.010 21.773 -8.901 455 HE3 MET 1 2HE MET 1 10.579 23.059 -7.757 456 H VAL 2 H VAL 2 13.001 20.584 -3.879 457 HA VAL 2 HA VAL 2 14.168 20.879 -2.020 458 HB VAL 2 HB VAL 2 11.568 20.515 -0.487 459 HG11 VAL 2 1HG1 VAL 2 13.669 20.367 0.907 460 HG12 VAL 2 2HG1 VAL 2 14.134 21.958 0.278 461 HG13 VAL 2 3HG1 VAL 2 12.666 21.774 1.262 462 HG21 VAL 2 3HG2 VAL 2 11.367 22.332 -2.131 463 HG22 VAL 2 1HG2 VAL 2 11.582 23.022 -0.522 464 HG23 VAL 2 2HG2 VAL 2 12.951 22.971 -1.651 465 H GLN 3 H GLN 3 11.950 18.183 -1.283 466 HA GLN 3 HA GLN 3 13.867 16.752 0.324 467 HB2 GLN 3 1HB GLN 3 11.491 16.534 0.648 468 HB3 GLN 3 2HB GLN 3 11.252 16.009 -1.026 469 HG2 GLN 3 1HG GLN 3 11.097 14.169 0.618 470 HG3 GLN 3 2HG GLN 3 12.327 13.899 -0.619 471 HE21 GLN 3 1HE2 GLN 3 11.826 14.722 2.826 472 HE22 GLN 3 2HE2 GLN 3 13.478 14.264 3.262 473 H ASN 4 H ASN 4 15.668 16.001 -0.488 474 HA ASN 4 HA ASN 4 16.055 15.422 -3.283 475 HB2 ASN 4 1HB ASN 4 17.639 16.527 -1.684 476 HB3 ASN 4 2HB ASN 4 17.801 14.987 -0.823 477 HD21 ASN 4 1HD2 ASN 4 19.332 13.584 -1.537 478 HD22 ASN 4 2HD2 ASN 4 20.181 13.813 -3.078 479 H ASP 5 H ASP 5 15.147 13.385 -0.591 480 HA ASP 5 HA ASP 5 16.239 10.933 -1.835 481 HB2 ASP 5 1HB ASP 5 16.455 11.326 0.572 482 HB3 ASP 5 2HB ASP 5 14.700 11.433 0.739 483 H PHE 6 H PHE 6 13.051 11.689 -0.515 484 HA PHE 6 HA PHE 6 11.635 10.244 -2.688 485 HB2 PHE 6 1HB PHE 6 10.648 11.852 -0.312 486 HB3 PHE 6 2HB PHE 6 9.598 11.174 -1.550 487 HD1 PHE 6 2HD PHE 6 9.280 8.750 -1.802 488 HD2 PHE 6 1HD PHE 6 11.676 10.393 1.385 489 HE1 PHE 6 2HE PHE 6 9.043 6.636 -0.531 490 HE2 PHE 6 1HE PHE 6 11.410 8.291 2.668 491 HZ PHE 6 HZ PHE 6 10.071 6.409 1.715 492 H VAL 7 H VAL 7 12.922 11.548 -4.150 493 HA VAL 7 HA VAL 7 12.333 14.330 -4.616 494 HB VAL 7 HB VAL 7 14.409 13.077 -5.202 495 HG11 VAL 7 1HG1 VAL 7 13.387 11.028 -6.173 496 HG12 VAL 7 2HG1 VAL 7 12.845 11.981 -7.575 497 HG13 VAL 7 3HG1 VAL 7 14.576 11.787 -7.241 498 HG21 VAL 7 3HG2 VAL 7 13.165 14.501 -7.578 499 HG22 VAL 7 1HG2 VAL 7 13.951 15.278 -6.176 500 HG23 VAL 7 2HG2 VAL 7 14.887 14.234 -7.258 501 H ASP 8 H ASP 8 11.205 15.283 -6.463 502 HA ASP 8 HA ASP 8 8.685 14.049 -6.967 503 HB2 ASP 8 1HB ASP 8 8.346 15.870 -8.615 504 HB3 ASP 8 2HB ASP 8 8.686 16.333 -6.966 505 H SER 9 H SER 9 7.852 13.233 -8.559 506 HA SER 9 HA SER 9 8.398 11.701 -10.779 507 HB2 SER 9 1HB SER 9 10.179 10.857 -8.453 508 HB3 SER 9 2HB SER 9 9.678 9.745 -9.715 509 HG SER 9 HG SER 9 11.554 11.637 -9.740 510 H TYR 10 H TYR 10 7.834 9.230 -10.074 511 HA TYR 10 HA TYR 10 5.804 9.230 -7.862 512 HB2 TYR 10 1HB TYR 10 6.544 7.194 -10.001 513 HB3 TYR 10 2HB TYR 10 5.539 6.816 -8.614 514 HD1 TYR 10 2HD TYR 10 5.738 9.077 -11.600 515 HD2 TYR 10 1HD TYR 10 3.259 7.376 -8.518 516 HE1 TYR 10 2HE TYR 10 3.700 9.940 -12.754 517 HE2 TYR 10 1HE TYR 10 1.218 8.218 -9.684 518 HH TYR 10 HH TYR 10 0.376 9.268 -11.743 519 H ASP 11 H ASP 11 6.145 7.354 -6.427 520 HA ASP 11 HA ASP 11 8.902 6.278 -5.936 521 HB2 ASP 11 1HB ASP 11 8.728 7.900 -4.276 522 HB3 ASP 11 2HB ASP 11 6.965 7.801 -4.194 523 H VAL 12 H VAL 12 8.836 4.163 -5.293 524 HA VAL 12 HA VAL 12 6.261 2.663 -5.238 525 HB VAL 12 HB VAL 12 8.736 2.206 -6.930 526 HG11 VAL 12 1HG1 VAL 12 6.622 0.130 -6.275 527 HG12 VAL 12 2HG1 VAL 12 7.819 0.004 -7.586 528 HG13 VAL 12 3HG1 VAL 12 8.363 0.016 -5.910 529 HG21 VAL 12 3HG2 VAL 12 5.774 2.027 -7.577 530 HG22 VAL 12 1HG2 VAL 12 6.737 3.479 -7.840 531 HG23 VAL 12 2HG2 VAL 12 7.143 1.997 -8.725 532 H THR 13 H THR 13 6.184 1.027 -3.837 533 HA THR 13 HA THR 13 8.644 -0.087 -2.616 534 HB THR 13 HB THR 13 6.251 0.876 -1.025 535 HG1 THR 13 1HG THR 13 8.140 2.288 -1.735 536 HG21 THR 13 3HG2 THR 13 7.015 -1.080 0.140 537 HG22 THR 13 1HG2 THR 13 8.713 -0.629 -0.137 538 HG23 THR 13 2HG2 THR 13 7.711 0.315 0.962 539 H MET 14 H MET 14 8.504 -2.296 -2.431 540 HA MET 14 HA MET 14 5.906 -3.617 -3.050 541 HB2 MET 14 1HB MET 14 7.604 -2.968 -5.023 542 HB3 MET 14 2HB MET 14 8.499 -4.323 -4.391 543 HG2 MET 14 1HG MET 14 7.340 -5.451 -5.902 544 HG3 MET 14 2HG MET 14 6.193 -5.598 -4.597 545 HE1 MET 14 3HE MET 14 5.998 -1.976 -6.404 546 HE2 MET 14 1HE MET 14 7.093 -2.941 -7.407 547 HE3 MET 14 2HE MET 14 5.482 -2.524 -8.025 548 H LEU 15 H LEU 15 5.732 -5.702 -2.260 549 HA LEU 15 HA LEU 15 8.096 -6.964 -1.044 550 HB2 LEU 15 1HB LEU 15 6.365 -5.609 0.490 551 HB3 LEU 15 2HB LEU 15 5.459 -7.121 0.388 552 HG LEU 15 HG LEU 15 8.400 -6.946 1.212 553 HD11 LEU 15 1HD1 LEU 15 7.555 -7.087 3.527 554 HD12 LEU 15 2HD1 LEU 15 7.003 -5.608 2.714 555 HD13 LEU 15 3HD1 LEU 15 5.884 -6.978 2.917 556 HD21 LEU 15 3HD2 LEU 15 7.923 -9.103 2.340 557 HD22 LEU 15 1HD2 LEU 15 6.289 -9.113 1.653 558 HD23 LEU 15 2HD2 LEU 15 7.715 -9.236 0.597 559 H LEU 16 H LEU 16 8.331 -8.895 -1.706 560 HA LEU 16 HA LEU 16 6.156 -10.365 -3.145 561 HB2 LEU 16 1HB LEU 16 9.155 -10.117 -3.631 562 HB3 LEU 16 2HB LEU 16 8.120 -11.241 -4.450 563 HG LEU 16 HG LEU 16 8.314 -9.693 -6.032 564 HD11 LEU 16 1HD1 LEU 16 5.897 -9.858 -5.696 565 HD12 LEU 16 2HD1 LEU 16 5.945 -8.424 -4.640 566 HD13 LEU 16 3HD1 LEU 16 6.395 -8.295 -6.348 567 HD21 LEU 16 3HD2 LEU 16 9.683 -8.141 -4.767 568 HD22 LEU 16 1HD2 LEU 16 8.535 -7.334 -5.835 569 HD23 LEU 16 2HD2 LEU 16 8.221 -7.392 -4.079 570 H GLN 17 H GLN 17 6.744 -12.711 -3.374 571 HA GLN 17 HA GLN 17 8.366 -13.803 -1.150 572 HB2 GLN 17 1HB GLN 17 5.979 -13.761 -0.412 573 HB3 GLN 17 2HB GLN 17 5.574 -14.831 -1.764 574 HG2 GLN 17 1HG GLN 17 7.136 -16.539 -0.859 575 HG3 GLN 17 2HG GLN 17 7.583 -15.444 0.455 576 HE21 GLN 17 1HE2 GLN 17 5.307 -17.833 -0.591 577 HE22 GLN 17 2HE2 GLN 17 4.243 -17.656 0.810 578 H ASP 18 H ASP 18 9.821 -15.082 -1.929 579 HA ASP 18 HA ASP 18 9.857 -15.997 -4.666 580 HB2 ASP 18 1HB ASP 18 11.835 -15.402 -3.219 581 HB3 ASP 18 2HB ASP 18 11.492 -16.831 -2.232 582 H ASP 19 H ASP 19 10.047 -18.245 -5.300 583 HA ASP 19 HA ASP 19 7.900 -19.911 -4.485 584 HB2 ASP 19 1HB ASP 19 9.033 -19.860 -6.702 585 HB3 ASP 19 2HB ASP 19 10.467 -20.598 -5.971 586 H ASP 20 H ASP 20 11.226 -19.722 -3.265 587 HA ASP 20 HA ASP 20 11.044 -22.209 -1.734 588 HB2 ASP 20 1HB ASP 20 13.133 -20.994 -2.611 589 HB3 ASP 20 2HB ASP 20 12.888 -19.830 -1.302 590 H GLY 21 H GLY 21 9.330 -19.416 -1.403 591 HA2 GLY 21 1HA GLY 21 7.800 -18.894 0.240 592 HA3 GLY 21 2HA GLY 21 8.624 -19.956 1.394 593 H LYS 22 H LYS 22 10.784 -17.835 -0.108 594 HA LYS 22 HA LYS 22 11.161 -16.350 2.417 595 HB2 LYS 22 1HB LYS 22 12.796 -16.592 -0.136 596 HB3 LYS 22 2HB LYS 22 13.240 -15.558 1.242 597 HG2 LYS 22 1HG LYS 22 13.184 -17.528 2.744 598 HG3 LYS 22 2HG LYS 22 12.816 -18.575 1.358 599 HD2 LYS 22 1HD LYS 22 14.907 -18.028 0.304 600 HD3 LYS 22 2HD LYS 22 15.297 -16.808 1.545 601 HE2 LYS 22 1HE LYS 22 15.688 -18.370 3.205 602 HE3 LYS 22 2HE LYS 22 14.489 -19.487 2.542 603 HZ1 LYS 22 3HZ LYS 22 16.604 -19.341 0.792 604 HZ2 LYS 22 1HZ LYS 22 17.025 -20.008 2.274 605 HZ3 LYS 22 2HZ LYS 22 15.727 -20.540 1.402 606 H GLN 23 H GLN 23 10.170 -14.522 2.748 607 HA GLN 23 HA GLN 23 9.125 -12.885 0.579 608 HB2 GLN 23 1HB GLN 23 9.163 -12.561 3.602 609 HB3 GLN 23 2HB GLN 23 8.553 -11.314 2.493 610 HG2 GLN 23 1HG GLN 23 7.006 -12.967 1.484 611 HG3 GLN 23 2HG GLN 23 7.540 -14.170 2.672 612 HE21 GLN 23 1HE2 GLN 23 5.154 -14.183 2.995 613 HE22 GLN 23 2HE2 GLN 23 4.547 -12.986 4.186 614 H TYR 24 H TYR 24 9.833 -10.970 -0.169 615 HA TYR 24 HA TYR 24 12.215 -9.749 1.078 616 HB2 TYR 24 1HB TYR 24 13.503 -9.707 -0.921 617 HB3 TYR 24 2HB TYR 24 13.110 -11.364 -0.521 618 HD1 TYR 24 2HD TYR 24 11.494 -12.672 -1.946 619 HD2 TYR 24 1HD TYR 24 12.750 -8.664 -2.945 620 HE1 TYR 24 2HE TYR 24 10.884 -13.077 -4.332 621 HE2 TYR 24 1HE TYR 24 12.148 -9.076 -5.325 622 HH TYR 24 HH TYR 24 10.525 -12.037 -6.528 623 H TYR 25 H TYR 25 12.586 -7.679 0.601 624 HA TYR 25 HA TYR 25 10.207 -6.103 -0.202 625 HB2 TYR 25 1HB TYR 25 10.867 -6.150 2.170 626 HB3 TYR 25 2HB TYR 25 12.514 -5.705 1.739 627 HD1 TYR 25 1HD TYR 25 8.972 -4.500 1.548 628 HD2 TYR 25 2HD TYR 25 13.150 -3.462 1.749 629 HE1 TYR 25 1HE TYR 25 8.370 -2.156 2.140 630 HE2 TYR 25 2HE TYR 25 12.548 -1.105 2.288 631 HH TYR 25 HH TYR 25 10.654 0.376 2.812 632 H GLU 26 H GLU 26 10.414 -4.386 -1.521 633 HA GLU 26 HA GLU 26 13.053 -3.715 -2.716 634 HB2 GLU 26 1HB GLU 26 12.026 -5.789 -3.761 635 HB3 GLU 26 2HB GLU 26 10.639 -4.808 -4.229 636 HG2 GLU 26 1HG GLU 26 12.154 -5.087 -6.091 637 HG3 GLU 26 2HG GLU 26 12.104 -3.387 -5.615 638 H TYR 27 H TYR 27 13.079 -1.537 -2.626 639 HA TYR 27 HA TYR 27 10.588 -0.052 -3.327 640 HB2 TYR 27 1HB TYR 27 11.049 1.564 -1.667 641 HB3 TYR 27 2HB TYR 27 11.078 -0.014 -0.889 642 HD1 TYR 27 2HD TYR 27 13.253 -1.029 -0.191 643 HD2 TYR 27 1HD TYR 27 13.010 2.936 -1.864 644 HE1 TYR 27 2HE TYR 27 15.531 -0.530 0.680 645 HE2 TYR 27 1HE TYR 27 15.306 3.432 -1.006 646 HH TYR 27 HH TYR 27 17.207 1.132 0.838 647 H HIS 28 H HIS 28 10.798 1.904 -4.345 648 HA HIS 28 HA HIS 28 13.342 2.552 -5.705 649 HB2 HIS 28 1HB HIS 28 10.879 1.411 -7.079 650 HB3 HIS 28 2HB HIS 28 12.125 2.356 -7.913 651 HD1 HIS 28 1HD HIS 28 14.564 1.275 -8.088 652 HD2 HIS 28 2HD HIS 28 11.490 -1.140 -6.510 653 HE1 HIS 28 1HE HIS 28 15.471 -1.155 -8.072 654 HE2 HIS 28 2HE HIS 28 13.633 -2.592 -7.032 655 H LYS 29 H LYS 29 13.356 4.616 -5.188 656 HA LYS 29 HA LYS 29 10.962 6.365 -5.522 657 HB2 LYS 29 1HB LYS 29 13.765 6.875 -4.550 658 HB3 LYS 29 2HB LYS 29 12.494 8.094 -4.558 659 HG2 LYS 29 1HG LYS 29 11.257 7.008 -2.855 660 HG3 LYS 29 2HG LYS 29 12.124 5.482 -3.040 661 HD2 LYS 29 1HD LYS 29 14.238 6.668 -2.282 662 HD3 LYS 29 2HD LYS 29 13.199 8.047 -1.836 663 HE2 LYS 29 1HE LYS 29 11.850 6.566 -0.414 664 HE3 LYS 29 2HE LYS 29 12.819 5.167 -0.892 665 HZ1 LYS 29 3HZ LYS 29 13.958 7.541 0.506 666 HZ2 LYS 29 1HZ LYS 29 13.476 6.183 1.271 667 HZ3 LYS 29 2HZ LYS 29 14.727 6.155 0.185 668 H GLY 30 H GLY 30 11.374 8.417 -6.717 669 HA2 GLY 30 1HA GLY 30 12.153 9.700 -8.463 670 HA3 GLY 30 2HA GLY 30 13.663 8.791 -8.353 671 H LEU 31 H LEU 31 10.424 7.574 -9.238 672 HA LEU 31 HA LEU 31 11.342 7.070 -12.014 673 HB2 LEU 31 1HB LEU 31 10.605 4.728 -11.896 674 HB3 LEU 31 2HB LEU 31 12.011 5.098 -10.951 675 HG LEU 31 HG LEU 31 10.953 4.826 -8.903 676 HD11 LEU 31 1HD1 LEU 31 8.793 5.979 -9.213 677 HD12 LEU 31 2HD1 LEU 31 8.220 4.637 -10.230 678 HD13 LEU 31 3HD1 LEU 31 8.617 4.386 -8.515 679 HD21 LEU 31 3HD2 LEU 31 10.202 2.555 -9.024 680 HD22 LEU 31 1HD2 LEU 31 9.609 2.739 -10.664 681 HD23 LEU 31 2HD2 LEU 31 11.354 2.763 -10.368 682 H SER 32 H SER 32 9.115 5.527 -12.840 683 HA SER 32 HA SER 32 6.868 7.434 -12.443 684 HB2 SER 32 1HB SER 32 6.611 7.700 -14.733 685 HB3 SER 32 2HB SER 32 8.344 7.877 -14.468 686 HG SER 32 HG SER 32 8.787 5.975 -15.454 687 H LEU 33 H LEU 33 4.862 6.575 -13.714 688 HA LEU 33 HA LEU 33 4.071 4.137 -12.464 689 HB2 LEU 33 1HB LEU 33 2.930 6.008 -14.529 690 HB3 LEU 33 2HB LEU 33 2.227 4.397 -14.441 691 HG LEU 33 HG LEU 33 2.504 6.183 -11.998 692 HD11 LEU 33 1HD1 LEU 33 0.143 5.711 -13.880 693 HD12 LEU 33 2HD1 LEU 33 0.083 6.602 -12.347 694 HD13 LEU 33 3HD1 LEU 33 1.041 7.236 -13.697 695 HD21 LEU 33 3HD2 LEU 33 0.793 4.655 -11.086 696 HD22 LEU 33 1HD2 LEU 33 0.802 3.726 -12.604 697 HD23 LEU 33 2HD2 LEU 33 2.219 3.719 -11.563 698 H SER 34 H SER 34 5.322 4.752 -15.774 699 HA SER 34 HA SER 34 4.861 2.106 -16.738 700 HB2 SER 34 1HB SER 34 7.010 4.155 -17.434 701 HB3 SER 34 2HB SER 34 6.561 2.748 -18.411 702 HG SER 34 HG SER 34 4.401 3.749 -18.472 703 H ASP 35 H ASP 35 7.396 3.500 -14.704 704 HA ASP 35 HA ASP 35 9.182 1.176 -14.886 705 HB2 ASP 35 1HB ASP 35 9.067 3.511 -12.949 706 HB3 ASP 35 2HB ASP 35 10.391 2.352 -13.073 707 H PHE 36 H PHE 36 6.597 2.314 -12.726 708 HA PHE 36 HA PHE 36 6.792 0.200 -10.770 709 HB2 PHE 36 1HB PHE 36 5.459 2.063 -10.236 710 HB3 PHE 36 2HB PHE 36 4.579 2.022 -11.733 711 HD1 PHE 36 2HD PHE 36 5.114 0.047 -8.611 712 HD2 PHE 36 1HD PHE 36 2.543 0.862 -11.971 713 HE1 PHE 36 2HE PHE 36 3.348 -1.344 -7.588 714 HE2 PHE 36 1HE PHE 36 0.777 -0.563 -10.968 715 HZ PHE 36 HZ PHE 36 1.176 -1.672 -8.766 716 H GLU 37 H GLU 37 4.954 0.420 -13.880 717 HA GLU 37 HA GLU 37 3.847 -2.197 -13.763 718 HB2 GLU 37 1HB GLU 37 4.550 -0.317 -16.051 719 HB3 GLU 37 2HB GLU 37 3.846 -1.915 -16.308 720 HG2 GLU 37 1HG GLU 37 1.960 -1.310 -14.768 721 HG3 GLU 37 2HG GLU 37 2.615 0.330 -14.660 722 H VAL 38 H VAL 38 7.081 -1.156 -14.777 723 HA VAL 38 HA VAL 38 7.887 -3.786 -15.705 724 HB VAL 38 HB VAL 38 9.542 -1.440 -14.688 725 HG11 VAL 38 1HG1 VAL 38 10.413 -4.033 -16.013 726 HG12 VAL 38 2HG1 VAL 38 11.448 -2.608 -15.768 727 HG13 VAL 38 3HG1 VAL 38 10.839 -3.491 -14.373 728 HG21 VAL 38 3HG2 VAL 38 8.801 -2.483 -17.455 729 HG22 VAL 38 1HG2 VAL 38 8.488 -0.887 -16.783 730 HG23 VAL 38 2HG2 VAL 38 10.132 -1.340 -17.176 731 H LEU 39 H LEU 39 8.263 -2.132 -12.504 732 HA LEU 39 HA LEU 39 9.577 -4.318 -11.265 733 HB2 LEU 39 1HB LEU 39 9.106 -1.844 -10.479 734 HB3 LEU 39 2HB LEU 39 7.645 -2.502 -9.783 735 HG LEU 39 HG LEU 39 9.260 -2.350 -8.069 736 HD11 LEU 39 1HD1 LEU 39 8.052 -4.644 -8.150 737 HD12 LEU 39 2HD1 LEU 39 9.580 -5.287 -8.738 738 HD13 LEU 39 3HD1 LEU 39 9.517 -4.500 -7.155 739 HD21 LEU 39 3HD2 LEU 39 11.254 -2.145 -9.491 740 HD22 LEU 39 1HD2 LEU 39 11.502 -3.311 -8.170 741 HD23 LEU 39 2HD2 LEU 39 11.221 -3.889 -9.818 742 H TYR 40 H TYR 40 6.095 -3.522 -11.275 743 HA TYR 40 HA TYR 40 5.159 -5.787 -9.842 744 HB2 TYR 40 1HB TYR 40 3.851 -3.785 -10.169 745 HB3 TYR 40 2HB TYR 40 3.901 -3.950 -11.918 746 HD1 TYR 40 2HD TYR 40 2.676 -5.593 -8.816 747 HD2 TYR 40 1HD TYR 40 2.196 -5.142 -13.067 748 HE1 TYR 40 2HE TYR 40 0.529 -6.899 -8.716 749 HE2 TYR 40 1HE TYR 40 0.074 -6.444 -12.977 750 HH TYR 40 HH TYR 40 -1.391 -7.625 -11.674 751 H GLY 41 H GLY 41 5.502 -5.326 -13.421 752 HA2 GLY 41 1HA GLY 41 4.369 -7.949 -13.929 753 HA3 GLY 41 2HA GLY 41 4.997 -6.795 -15.112 754 H ASN 42 H ASN 42 7.734 -6.733 -13.763 755 HA ASN 42 HA ASN 42 8.755 -9.147 -15.109 756 HB2 ASN 42 1HB ASN 42 9.652 -6.804 -15.460 757 HB3 ASN 42 2HB ASN 42 10.211 -6.830 -13.779 758 HD21 ASN 42 1HD2 ASN 42 12.319 -7.354 -13.596 759 HD22 ASN 42 2HD2 ASN 42 13.128 -8.481 -14.702 760 H THR 43 H THR 43 8.655 -7.718 -11.820 761 HA THR 43 HA THR 43 10.359 -9.842 -10.775 762 HB THR 43 HB THR 43 8.804 -7.748 -9.222 763 HG1 THR 43 1HG THR 43 10.218 -6.582 -10.237 764 HG21 THR 43 3HG2 THR 43 10.512 -8.038 -7.531 765 HG22 THR 43 1HG2 THR 43 9.716 -9.606 -7.804 766 HG23 THR 43 2HG2 THR 43 11.320 -9.285 -8.504 767 H ALA 44 H ALA 44 6.961 -8.896 -10.349 768 HA ALA 44 HA ALA 44 5.067 -9.962 -9.879 769 HB1 ALA 44 3HB ALA 44 5.463 -10.493 -12.165 770 HB2 ALA 44 1HB ALA 44 6.547 -11.828 -11.752 771 HB3 ALA 44 2HB ALA 44 4.823 -11.959 -11.417 772 H ASP 45 H ASP 45 7.595 -11.464 -8.286 773 HA ASP 45 HA ASP 45 6.601 -13.936 -7.625 774 HB2 ASP 45 1HB ASP 45 8.553 -12.067 -6.383 775 HB3 ASP 45 2HB ASP 45 8.107 -13.514 -5.476 776 H GLU 46 H GLU 46 4.519 -13.965 -7.239 777 HA GLU 46 HA GLU 46 2.686 -14.440 -6.045 778 HB2 GLU 46 1HB GLU 46 4.505 -15.272 -4.442 779 HB3 GLU 46 2HB GLU 46 4.235 -13.794 -3.515 780 HG2 GLU 46 1HG GLU 46 3.012 -15.625 -2.530 781 HG3 GLU 46 2HG GLU 46 1.879 -14.430 -3.165 782 H ILE 47 H ILE 47 4.186 -11.456 -5.093 783 HA ILE 47 HA ILE 47 3.493 -9.439 -4.411 784 HB ILE 47 HB ILE 47 0.844 -10.071 -5.708 785 HG12 ILE 47 1HG1 ILE 47 2.862 -10.096 -7.249 786 HG13 ILE 47 2HG1 ILE 47 1.630 -8.920 -7.644 787 HG21 ILE 47 1HG2 ILE 47 1.979 -7.479 -4.574 788 HG22 ILE 47 2HG2 ILE 47 0.678 -7.525 -5.767 789 HG23 ILE 47 3HG2 ILE 47 0.465 -8.279 -4.178 790 HD11 ILE 47 3HD1 ILE 47 3.007 -7.165 -7.330 791 HD12 ILE 47 1HD1 ILE 47 3.729 -7.808 -5.862 792 HD13 ILE 47 2HD1 ILE 47 4.314 -8.352 -7.434 793 H ILE 48 H ILE 48 3.505 -9.133 -2.443 794 HA ILE 48 HA ILE 48 1.490 -10.373 -0.648 795 HB ILE 48 HB ILE 48 4.317 -9.506 0.020 796 HG12 ILE 48 1HG1 ILE 48 4.487 -11.476 -1.368 797 HG13 ILE 48 2HG1 ILE 48 4.850 -11.864 0.297 798 HG21 ILE 48 1HG2 ILE 48 2.923 -9.289 1.957 799 HG22 ILE 48 2HG2 ILE 48 2.167 -10.855 1.683 800 HG23 ILE 48 3HG2 ILE 48 3.880 -10.756 2.150 801 HD11 ILE 48 3HD1 ILE 48 2.433 -12.654 -1.333 802 HD12 ILE 48 1HD1 ILE 48 3.530 -13.680 -0.420 803 HD13 ILE 48 2HD1 ILE 48 2.356 -12.698 0.426 804 H LYS 49 H LYS 49 3.559 -7.513 -1.124 805 HA LYS 49 HA LYS 49 1.249 -5.789 -0.516 806 HB2 LYS 49 1HB LYS 49 3.970 -5.347 0.791 807 HB3 LYS 49 2HB LYS 49 2.578 -4.268 0.870 808 HG2 LYS 49 1HG LYS 49 1.287 -6.079 2.012 809 HG3 LYS 49 2HG LYS 49 2.760 -7.058 2.059 810 HD2 LYS 49 1HD LYS 49 3.915 -5.348 3.386 811 HD3 LYS 49 2HD LYS 49 2.463 -4.308 3.313 812 HE2 LYS 49 1HE LYS 49 1.123 -6.053 4.393 813 HE3 LYS 49 2HE LYS 49 2.537 -7.128 4.464 814 HZ1 LYS 49 3HZ LYS 49 2.994 -4.553 5.641 815 HZ2 LYS 49 1HZ LYS 49 1.807 -5.403 6.394 816 HZ3 LYS 49 2HZ LYS 49 3.315 -6.044 6.248 817 H LEU 50 H LEU 50 1.418 -3.753 -1.496 818 HA LEU 50 HA LEU 50 4.004 -2.849 -2.285 819 HB2 LEU 50 1HB LEU 50 3.669 -2.371 -4.649 820 HB3 LEU 50 2HB LEU 50 3.526 -4.081 -4.310 821 HG LEU 50 HG LEU 50 0.997 -3.703 -4.260 822 HD11 LEU 50 1HD1 LEU 50 1.726 -1.357 -6.074 823 HD12 LEU 50 2HD1 LEU 50 0.105 -1.878 -5.608 824 HD13 LEU 50 3HD1 LEU 50 1.157 -1.105 -4.441 825 HD21 LEU 50 3HD2 LEU 50 0.838 -4.025 -6.694 826 HD22 LEU 50 1HD2 LEU 50 2.526 -3.504 -6.862 827 HD23 LEU 50 2HD2 LEU 50 2.138 -4.988 -5.977 828 H ARG 51 H ARG 51 4.035 -0.674 -3.001 829 HA ARG 51 HA ARG 51 1.675 1.013 -2.512 830 HB2 ARG 51 1HB ARG 51 3.124 0.763 -0.382 831 HB3 ARG 51 2HB ARG 51 4.378 1.621 -1.292 832 HG2 ARG 51 1HG ARG 51 2.760 3.515 -1.646 833 HG3 ARG 51 2HG ARG 51 1.587 2.638 -0.664 834 HD2 ARG 51 1HD ARG 51 2.733 4.440 0.576 835 HD3 ARG 51 2HD ARG 51 2.979 2.847 1.302 836 HE ARG 51 HE ARG 51 5.231 3.184 1.090 837 HH11 ARG 51 2HH2 ARG 51 3.848 5.473 -1.386 838 HH12 ARG 51 1HH2 ARG 51 5.532 5.784 -1.858 839 HH21 ARG 51 1HH1 ARG 51 7.224 3.909 0.271 840 HH22 ARG 51 2HH1 ARG 51 7.134 5.104 -1.044 841 H LEU 52 H LEU 52 1.675 2.844 -3.731 842 HA LEU 52 HA LEU 52 4.130 3.828 -4.915 843 HB2 LEU 52 1HB LEU 52 3.525 2.516 -6.721 844 HB3 LEU 52 2HB LEU 52 1.812 2.822 -6.563 845 HG LEU 52 HG LEU 52 3.642 5.129 -7.321 846 HD11 LEU 52 1HD1 LEU 52 2.553 2.996 -9.193 847 HD12 LEU 52 2HD1 LEU 52 3.340 4.523 -9.682 848 HD13 LEU 52 3HD1 LEU 52 4.262 3.302 -8.809 849 HD21 LEU 52 3HD2 LEU 52 0.802 4.301 -8.054 850 HD22 LEU 52 1HD2 LEU 52 1.224 5.627 -6.948 851 HD23 LEU 52 2HD2 LEU 52 1.609 5.747 -8.669 852 H ASP 53 H ASP 53 4.143 5.983 -5.192 853 HA ASP 53 HA ASP 53 1.730 7.608 -4.561 854 HB2 ASP 53 1HB ASP 53 4.409 7.579 -3.119 855 HB3 ASP 53 2HB ASP 53 3.515 9.084 -3.300 856 H LYS 54 H LYS 54 1.585 9.260 -5.975 857 HA LYS 54 HA LYS 54 3.862 10.183 -7.648 858 HB2 LYS 54 1HB LYS 54 1.471 10.412 -8.366 859 HB3 LYS 54 2HB LYS 54 1.192 11.296 -6.878 860 HG2 LYS 54 1HG LYS 54 1.260 12.866 -8.656 861 HG3 LYS 54 2HG LYS 54 2.687 13.121 -7.662 862 HD2 LYS 54 1HD LYS 54 4.042 11.807 -9.340 863 HD3 LYS 54 2HD LYS 54 2.557 11.627 -10.314 864 HE2 LYS 54 1HE LYS 54 2.325 14.124 -10.297 865 HE3 LYS 54 2HE LYS 54 3.906 14.224 -9.483 866 HZ1 LYS 54 3HZ LYS 54 4.778 12.989 -11.476 867 HZ2 LYS 54 1HZ LYS 54 3.321 13.209 -12.199 868 HZ3 LYS 54 2HZ LYS 54 4.245 14.507 -11.806 869 H VAL 55 H VAL 55 5.229 11.748 -7.205 870 HA VAL 55 HA VAL 55 5.191 12.943 -4.491 871 HB VAL 55 HB VAL 55 7.615 12.152 -6.105 872 HG11 VAL 55 1HG1 VAL 55 7.269 12.945 -3.206 873 HG12 VAL 55 2HG1 VAL 55 8.753 12.276 -3.924 874 HG13 VAL 55 3HG1 VAL 55 8.154 13.824 -4.490 875 HG21 VAL 55 3HG2 VAL 55 6.252 10.597 -3.857 876 HG22 VAL 55 1HG2 VAL 55 6.492 10.046 -5.531 877 HG23 VAL 55 2HG2 VAL 55 7.886 10.254 -4.476 878 H LEU 56 H LEU 56 6.021 14.814 -4.318 879 HA LEU 56 HA LEU 56 6.026 16.723 -6.611 880 HB2 LEU 56 1HB LEU 56 4.455 16.852 -3.990 881 HB3 LEU 56 2HB LEU 56 4.760 18.271 -4.954 882 HG LEU 56 HG LEU 56 2.544 17.604 -5.304 883 HD11 LEU 56 1HD1 LEU 56 4.398 17.338 -7.639 884 HD12 LEU 56 2HD1 LEU 56 2.722 16.926 -7.872 885 HD13 LEU 56 3HD1 LEU 56 3.161 18.531 -7.271 886 HD21 LEU 56 3HD2 LEU 56 3.473 14.916 -6.275 887 HD22 LEU 56 1HD2 LEU 56 2.603 15.250 -4.762 888 HD23 LEU 56 2HD2 LEU 56 1.833 15.539 -6.326 Start of MODEL 10 1 H1 MET 1 1H MET 1 -20.523 -12.119 2.661 2 H2 MET 1 2H MET 1 -19.367 -11.065 2.113 3 H3 MET 1 3H MET 1 -20.835 -10.488 2.618 4 HA MET 1 HA MET 1 -20.399 -11.178 4.853 5 HB2 MET 1 1HB MET 1 -19.013 -13.082 4.262 6 HB3 MET 1 2HB MET 1 -17.725 -11.988 3.637 7 HG2 MET 1 1HG MET 1 -17.268 -12.842 5.888 8 HG3 MET 1 2HG MET 1 -17.404 -11.071 5.869 9 HE1 MET 1 3HE MET 1 -17.467 -12.686 8.545 10 HE2 MET 1 1HE MET 1 -17.526 -10.922 8.298 11 HE3 MET 1 2HE MET 1 -18.740 -11.723 9.357 12 H VAL 2 H VAL 2 -20.105 -9.440 5.986 13 HA VAL 2 HA VAL 2 -19.173 -7.017 4.823 14 HB VAL 2 HB VAL 2 -20.918 -7.362 6.564 15 HG11 VAL 2 1HG1 VAL 2 -19.724 -8.928 8.061 16 HG12 VAL 2 2HG1 VAL 2 -18.596 -7.618 8.520 17 HG13 VAL 2 3HG1 VAL 2 -20.327 -7.478 8.903 18 HG21 VAL 2 3HG2 VAL 2 -19.917 -5.171 6.071 19 HG22 VAL 2 1HG2 VAL 2 -20.494 -5.342 7.750 20 HG23 VAL 2 2HG2 VAL 2 -18.749 -5.411 7.417 21 H GLN 3 H GLN 3 -17.464 -5.709 5.408 22 HA GLN 3 HA GLN 3 -14.949 -7.037 6.031 23 HB2 GLN 3 1HB GLN 3 -15.328 -5.198 4.350 24 HB3 GLN 3 2HB GLN 3 -15.613 -4.083 5.711 25 HG2 GLN 3 1HG GLN 3 -13.323 -4.749 6.581 26 HG3 GLN 3 2HG GLN 3 -13.093 -5.675 5.075 27 HE21 GLN 3 1HE2 GLN 3 -11.642 -3.263 6.145 28 HE22 GLN 3 2HE2 GLN 3 -11.833 -2.097 4.818 29 H ASN 4 H ASN 4 -15.760 -7.861 8.070 30 HA ASN 4 HA ASN 4 -15.870 -6.057 10.383 31 HB2 ASN 4 1HB ASN 4 -16.888 -8.301 10.343 32 HB3 ASN 4 2HB ASN 4 -15.281 -9.052 10.156 33 HD21 ASN 4 1HD2 ASN 4 -17.348 -7.169 12.341 34 HD22 ASN 4 2HD2 ASN 4 -16.386 -7.641 13.770 35 H ASP 5 H ASP 5 -13.376 -7.951 8.730 36 HA ASP 5 HA ASP 5 -11.672 -5.706 9.168 37 HB2 ASP 5 1HB ASP 5 -11.081 -7.641 10.899 38 HB3 ASP 5 2HB ASP 5 -10.304 -8.378 9.488 39 H PHE 6 H PHE 6 -9.599 -6.353 7.604 40 HA PHE 6 HA PHE 6 -10.659 -6.326 4.992 41 HB2 PHE 6 1HB PHE 6 -7.902 -6.971 6.052 42 HB3 PHE 6 2HB PHE 6 -8.275 -7.002 4.317 43 HD1 PHE 6 2HD PHE 6 -9.036 -4.991 3.125 44 HD2 PHE 6 1HD PHE 6 -7.809 -4.869 7.245 45 HE1 PHE 6 2HE PHE 6 -8.852 -2.510 2.988 46 HE2 PHE 6 1HE PHE 6 -7.621 -2.378 7.107 47 HZ PHE 6 HZ PHE 6 -8.152 -1.210 4.984 48 H VAL 7 H VAL 7 -11.509 -7.684 3.765 49 HA VAL 7 HA VAL 7 -11.771 -10.441 4.734 50 HB VAL 7 HB VAL 7 -13.554 -8.750 4.976 51 HG11 VAL 7 1HG1 VAL 7 -13.963 -8.932 1.974 52 HG12 VAL 7 2HG1 VAL 7 -14.965 -8.082 3.176 53 HG13 VAL 7 3HG1 VAL 7 -13.307 -7.525 2.853 54 HG21 VAL 7 3HG2 VAL 7 -14.063 -11.131 5.008 55 HG22 VAL 7 1HG2 VAL 7 -15.393 -10.155 4.342 56 HG23 VAL 7 2HG2 VAL 7 -14.359 -11.100 3.246 57 H ASP 8 H ASP 8 -11.828 -12.140 3.505 58 HA ASP 8 HA ASP 8 -11.791 -13.611 1.880 59 HB2 ASP 8 1HB ASP 8 -13.691 -12.067 1.143 60 HB3 ASP 8 2HB ASP 8 -12.614 -11.448 -0.087 61 H SER 9 H SER 9 -10.509 -10.749 0.274 62 HA SER 9 HA SER 9 -8.007 -12.092 -0.579 63 HB2 SER 9 1HB SER 9 -9.940 -12.891 -2.075 64 HB3 SER 9 2HB SER 9 -9.933 -11.242 -2.738 65 HG SER 9 HG SER 9 -8.422 -12.022 -3.902 66 H TYR 10 H TYR 10 -7.200 -10.494 -2.533 67 HA TYR 10 HA TYR 10 -5.782 -8.625 -1.070 68 HB2 TYR 10 1HB TYR 10 -6.455 -8.642 -4.025 69 HB3 TYR 10 2HB TYR 10 -5.416 -7.434 -3.301 70 HD1 TYR 10 2HD TYR 10 -3.252 -7.896 -2.466 71 HD2 TYR 10 1HD TYR 10 -5.665 -11.049 -4.135 72 HE1 TYR 10 2HE TYR 10 -1.244 -9.353 -2.593 73 HE2 TYR 10 1HE TYR 10 -3.637 -12.506 -4.298 74 HH TYR 10 HH TYR 10 -0.429 -11.467 -3.069 75 H ASP 11 H ASP 11 -6.004 -6.695 -0.263 76 HA ASP 11 HA ASP 11 -8.245 -4.895 -1.017 77 HB2 ASP 11 1HB ASP 11 -7.534 -4.810 1.302 78 HB3 ASP 11 2HB ASP 11 -5.865 -4.474 0.798 79 H VAL 12 H VAL 12 -8.004 -3.130 -2.202 80 HA VAL 12 HA VAL 12 -5.339 -2.150 -2.947 81 HB VAL 12 HB VAL 12 -7.572 -2.262 -5.012 82 HG11 VAL 12 1HG1 VAL 12 -4.659 -1.342 -5.102 83 HG12 VAL 12 2HG1 VAL 12 -5.771 -1.414 -6.477 84 HG13 VAL 12 3HG1 VAL 12 -6.092 -0.285 -5.150 85 HG21 VAL 12 3HG2 VAL 12 -6.189 -3.771 -6.295 86 HG22 VAL 12 1HG2 VAL 12 -4.946 -3.780 -5.012 87 HG23 VAL 12 2HG2 VAL 12 -6.534 -4.511 -4.723 88 H THR 13 H THR 13 -5.560 -0.645 -1.351 89 HA THR 13 HA THR 13 -7.755 1.323 -1.307 90 HB THR 13 HB THR 13 -4.915 1.720 -0.377 91 HG1 THR 13 1HG THR 13 -6.326 -0.227 0.573 92 HG21 THR 13 3HG2 THR 13 -7.547 2.807 0.674 93 HG22 THR 13 1HG2 THR 13 -5.912 3.252 1.220 94 HG23 THR 13 2HG2 THR 13 -6.448 3.698 -0.414 95 H MET 14 H MET 14 -8.009 2.871 -2.871 96 HA MET 14 HA MET 14 -5.539 3.761 -4.327 97 HB2 MET 14 1HB MET 14 -6.765 1.890 -5.526 98 HB3 MET 14 2HB MET 14 -8.179 3.003 -5.613 99 HG2 MET 14 1HG MET 14 -7.315 3.810 -7.465 100 HG3 MET 14 2HG MET 14 -6.156 4.614 -6.479 101 HE1 MET 14 3HE MET 14 -6.810 1.973 -8.570 102 HE2 MET 14 1HE MET 14 -6.537 3.521 -9.399 103 HE3 MET 14 2HE MET 14 -5.502 2.143 -9.810 104 H LEU 15 H LEU 15 -5.480 5.787 -5.041 105 HA LEU 15 HA LEU 15 -7.875 7.490 -4.696 106 HB2 LEU 15 1HB LEU 15 -7.200 8.093 -2.775 107 HB3 LEU 15 2HB LEU 15 -5.742 7.051 -2.893 108 HG LEU 15 HG LEU 15 -4.599 9.000 -4.014 109 HD11 LEU 15 1HD1 LEU 15 -6.646 10.292 -4.117 110 HD12 LEU 15 2HD1 LEU 15 -6.802 10.268 -2.306 111 HD13 LEU 15 3HD1 LEU 15 -5.390 11.094 -3.058 112 HD21 LEU 15 3HD2 LEU 15 -5.434 9.190 -1.002 113 HD22 LEU 15 1HD2 LEU 15 -4.219 8.144 -1.670 114 HD23 LEU 15 2HD2 LEU 15 -4.023 9.942 -1.752 115 H LEU 16 H LEU 16 -8.112 8.919 -6.135 116 HA LEU 16 HA LEU 16 -5.856 9.681 -7.947 117 HB2 LEU 16 1HB LEU 16 -8.777 9.616 -8.751 118 HB3 LEU 16 2HB LEU 16 -7.365 9.924 -9.739 119 HG LEU 16 HG LEU 16 -8.149 7.928 -10.466 120 HD11 LEU 16 1HD1 LEU 16 -5.884 7.557 -10.337 121 HD12 LEU 16 2HD1 LEU 16 -5.909 7.197 -8.574 122 HD13 LEU 16 3HD1 LEU 16 -6.644 6.080 -9.731 123 HD21 LEU 16 3HD2 LEU 16 -9.763 7.519 -8.705 124 HD22 LEU 16 1HD2 LEU 16 -8.917 6.072 -9.235 125 HD23 LEU 16 2HD2 LEU 16 -8.486 6.821 -7.669 126 H GLN 17 H GLN 17 -6.256 11.789 -8.954 127 HA GLN 17 HA GLN 17 -7.947 13.670 -7.368 128 HB2 GLN 17 1HB GLN 17 -5.574 14.269 -8.114 129 HB3 GLN 17 2HB GLN 17 -6.211 14.292 -9.779 130 HG2 GLN 17 1HG GLN 17 -7.814 16.060 -9.113 131 HG3 GLN 17 2HG GLN 17 -7.216 15.969 -7.437 132 HE21 GLN 17 1HE2 GLN 17 -6.925 17.712 -10.293 133 HE22 GLN 17 2HE2 GLN 17 -5.307 18.360 -9.937 134 H ASP 18 H ASP 18 -9.667 14.798 -8.449 135 HA ASP 18 HA ASP 18 -10.330 13.822 -11.156 136 HB2 ASP 18 1HB ASP 18 -11.469 12.562 -9.000 137 HB3 ASP 18 2HB ASP 18 -12.631 13.861 -9.262 138 H ASP 19 H ASP 19 -12.529 14.862 -11.763 139 HA ASP 19 HA ASP 19 -11.602 17.331 -12.614 140 HB2 ASP 19 1HB ASP 19 -13.154 15.693 -13.686 141 HB3 ASP 19 2HB ASP 19 -14.456 16.272 -12.627 142 H ASP 20 H ASP 20 -13.487 16.815 -9.789 143 HA ASP 20 HA ASP 20 -14.491 19.544 -9.527 144 HB2 ASP 20 1HB ASP 20 -15.351 17.403 -8.422 145 HB3 ASP 20 2HB ASP 20 -13.942 17.499 -7.343 146 H GLY 21 H GLY 21 -11.399 18.335 -9.481 147 HA2 GLY 21 1HA GLY 21 -9.441 19.534 -9.166 148 HA3 GLY 21 2HA GLY 21 -10.314 20.787 -8.245 149 H LYS 22 H LYS 22 -10.903 17.558 -7.305 150 HA LYS 22 HA LYS 22 -9.188 17.862 -4.861 151 HB2 LYS 22 1HB LYS 22 -12.118 17.019 -5.053 152 HB3 LYS 22 2HB LYS 22 -11.117 16.965 -3.577 153 HG2 LYS 22 1HG LYS 22 -10.771 19.439 -3.764 154 HG3 LYS 22 2HG LYS 22 -11.881 19.443 -5.182 155 HD2 LYS 22 1HD LYS 22 -13.626 18.368 -3.682 156 HD3 LYS 22 2HD LYS 22 -12.495 18.625 -2.310 157 HE2 LYS 22 1HE LYS 22 -14.008 20.426 -2.308 158 HE3 LYS 22 2HE LYS 22 -12.450 21.111 -2.922 159 HZ1 LYS 22 3HZ LYS 22 -14.744 21.537 -4.059 160 HZ2 LYS 22 1HZ LYS 22 -13.447 21.296 -5.063 161 HZ3 LYS 22 2HZ LYS 22 -14.414 20.056 -4.777 162 H GLN 23 H GLN 23 -8.749 15.942 -3.760 163 HA GLN 23 HA GLN 23 -8.449 13.579 -5.484 164 HB2 GLN 23 1HB GLN 23 -7.601 14.242 -2.648 165 HB3 GLN 23 2HB GLN 23 -7.336 12.659 -3.422 166 HG2 GLN 23 1HG GLN 23 -5.993 13.623 -5.158 167 HG3 GLN 23 2HG GLN 23 -6.316 15.276 -4.586 168 HE21 GLN 23 1HE2 GLN 23 -3.920 15.466 -4.491 169 HE22 GLN 23 2HE2 GLN 23 -3.156 14.779 -3.032 170 H TYR 24 H TYR 24 -9.282 11.573 -5.102 171 HA TYR 24 HA TYR 24 -11.339 11.332 -2.977 172 HB2 TYR 24 1HB TYR 24 -13.050 10.976 -4.241 173 HB3 TYR 24 2HB TYR 24 -12.189 12.052 -5.354 174 HD1 TYR 24 2HD TYR 24 -11.032 11.078 -7.352 175 HD2 TYR 24 1HD TYR 24 -13.661 8.856 -4.748 176 HE1 TYR 24 2HE TYR 24 -11.428 9.422 -9.174 177 HE2 TYR 24 1HE TYR 24 -14.058 7.190 -6.568 178 HH TYR 24 HH TYR 24 -12.382 7.425 -9.663 179 H TYR 25 H TYR 25 -11.604 9.378 -2.167 180 HA TYR 25 HA TYR 25 -9.423 7.425 -2.706 181 HB2 TYR 25 1HB TYR 25 -8.960 9.092 -0.979 182 HB3 TYR 25 2HB TYR 25 -10.532 8.812 -0.230 183 HD1 TYR 25 1HD TYR 25 -10.963 6.927 1.157 184 HD2 TYR 25 2HD TYR 25 -7.135 7.585 -0.620 185 HE1 TYR 25 1HE TYR 25 -9.888 5.451 2.918 186 HE2 TYR 25 2HE TYR 25 -6.056 6.103 1.150 187 HH TYR 25 HH TYR 25 -7.918 4.629 3.708 188 H GLU 26 H GLU 26 -9.971 5.307 -2.656 189 HA GLU 26 HA GLU 26 -12.068 4.485 -0.786 190 HB2 GLU 26 1HB GLU 26 -12.625 2.750 -2.896 191 HB3 GLU 26 2HB GLU 26 -13.572 3.573 -1.911 192 HG2 GLU 26 1HG GLU 26 -13.383 5.740 -3.742 193 HG3 GLU 26 2HG GLU 26 -12.527 4.746 -4.747 194 H TYR 27 H TYR 27 -12.131 2.303 -0.380 195 HA TYR 27 HA TYR 27 -9.720 0.691 -0.914 196 HB2 TYR 27 1HB TYR 27 -12.247 0.200 0.714 197 HB3 TYR 27 2HB TYR 27 -10.899 -0.938 0.554 198 HD1 TYR 27 1HD TYR 27 -8.732 -0.500 1.549 199 HD2 TYR 27 2HD TYR 27 -12.070 2.153 2.132 200 HE1 TYR 27 1HE TYR 27 -7.544 0.583 3.475 201 HE2 TYR 27 2HE TYR 27 -10.901 3.213 4.068 202 HH TYR 27 HH TYR 27 -8.959 3.200 5.355 203 H HIS 28 H HIS 28 -9.703 -0.936 -2.313 204 HA HIS 28 HA HIS 28 -12.287 -1.972 -3.465 205 HB2 HIS 28 1HB HIS 28 -9.641 -1.604 -4.906 206 HB3 HIS 28 2HB HIS 28 -11.086 -2.391 -5.551 207 HD1 HIS 28 1HD HIS 28 -13.229 -0.767 -5.947 208 HD2 HIS 28 2HD HIS 28 -9.489 0.990 -5.111 209 HE1 HIS 28 1HE HIS 28 -13.402 1.711 -6.701 210 HE2 HIS 28 2HE HIS 28 -11.135 2.768 -6.218 211 H LYS 29 H LYS 29 -12.277 -3.432 -1.765 212 HA LYS 29 HA LYS 29 -10.020 -5.354 -1.639 213 HB2 LYS 29 1HB LYS 29 -10.899 -5.885 0.658 214 HB3 LYS 29 2HB LYS 29 -10.228 -4.280 0.396 215 HG2 LYS 29 1HG LYS 29 -12.144 -4.221 1.843 216 HG3 LYS 29 2HG LYS 29 -12.387 -3.243 0.387 217 HD2 LYS 29 1HD LYS 29 -13.827 -4.988 -0.576 218 HD3 LYS 29 2HD LYS 29 -13.537 -6.042 0.845 219 HE2 LYS 29 1HE LYS 29 -14.626 -4.445 2.307 220 HE3 LYS 29 2HE LYS 29 -14.681 -3.232 1.015 221 HZ1 LYS 29 3HZ LYS 29 -16.030 -4.861 -0.257 222 HZ2 LYS 29 1HZ LYS 29 -16.291 -5.723 1.119 223 HZ3 LYS 29 2HZ LYS 29 -16.812 -4.155 1.006 224 H GLY 30 H GLY 30 -10.412 -7.514 -0.915 225 HA2 GLY 30 1HA GLY 30 -11.348 -9.593 -1.167 226 HA3 GLY 30 2HA GLY 30 -12.929 -8.836 -1.439 227 H LEU 31 H LEU 31 -9.922 -8.413 -3.323 228 HA LEU 31 HA LEU 31 -11.118 -9.827 -5.633 229 HB2 LEU 31 1HB LEU 31 -10.666 -7.973 -7.121 230 HB3 LEU 31 2HB LEU 31 -11.891 -7.643 -5.910 231 HG LEU 31 HG LEU 31 -10.356 -6.231 -4.628 232 HD11 LEU 31 1HD1 LEU 31 -8.157 -7.091 -5.195 233 HD12 LEU 31 2HD1 LEU 31 -8.394 -6.682 -6.927 234 HD13 LEU 31 3HD1 LEU 31 -8.284 -5.408 -5.697 235 HD21 LEU 31 3HD2 LEU 31 -10.605 -5.564 -7.592 236 HD22 LEU 31 1HD2 LEU 31 -11.820 -5.268 -6.314 237 HD23 LEU 31 2HD2 LEU 31 -10.271 -4.397 -6.293 238 H SER 32 H SER 32 -9.056 -9.326 -7.502 239 HA SER 32 HA SER 32 -6.661 -10.329 -6.031 240 HB2 SER 32 1HB SER 32 -6.613 -12.314 -7.203 241 HB3 SER 32 2HB SER 32 -8.317 -12.132 -6.775 242 HG SER 32 HG SER 32 -8.714 -11.210 -8.886 243 H LEU 33 H LEU 33 -4.921 -10.922 -7.850 244 HA LEU 33 HA LEU 33 -4.058 -8.294 -8.569 245 HB2 LEU 33 1HB LEU 33 -2.951 -11.026 -9.335 246 HB3 LEU 33 2HB LEU 33 -2.149 -9.478 -9.650 247 HG LEU 33 HG LEU 33 -2.850 -10.529 -6.879 248 HD11 LEU 33 1HD1 LEU 33 -1.114 -11.840 -8.037 249 HD12 LEU 33 2HD1 LEU 33 -0.152 -10.349 -8.281 250 HD13 LEU 33 3HD1 LEU 33 -0.487 -10.948 -6.630 251 HD21 LEU 33 3HD2 LEU 33 -1.147 -8.156 -7.766 252 HD22 LEU 33 1HD2 LEU 33 -2.712 -8.082 -6.897 253 HD23 LEU 33 2HD2 LEU 33 -1.288 -8.771 -6.089 254 H SER 34 H SER 34 -5.790 -10.677 -10.566 255 HA SER 34 HA SER 34 -5.328 -9.164 -13.012 256 HB2 SER 34 1HB SER 34 -7.147 -10.740 -13.794 257 HB3 SER 34 2HB SER 34 -5.694 -11.519 -13.135 258 HG SER 34 HG SER 34 -8.041 -11.985 -12.133 259 H ASP 35 H ASP 35 -7.624 -9.009 -10.343 260 HA ASP 35 HA ASP 35 -9.527 -7.228 -11.727 261 HB2 ASP 35 1HB ASP 35 -9.126 -7.830 -8.779 262 HB3 ASP 35 2HB ASP 35 -10.523 -7.046 -9.498 263 H PHE 36 H PHE 36 -6.740 -6.962 -9.550 264 HA PHE 36 HA PHE 36 -6.697 -4.112 -9.255 265 HB2 PHE 36 1HB PHE 36 -5.257 -5.455 -7.901 266 HB3 PHE 36 2HB PHE 36 -4.608 -6.304 -9.300 267 HD1 PHE 36 1HD PHE 36 -4.925 -2.763 -8.110 268 HD2 PHE 36 2HD PHE 36 -2.527 -5.754 -10.054 269 HE1 PHE 36 1HE PHE 36 -3.162 -1.170 -8.417 270 HE2 PHE 36 2HE PHE 36 -0.695 -4.083 -10.366 271 HZ PHE 36 HZ PHE 36 -1.001 -1.743 -9.557 272 H GLU 37 H GLU 37 -5.336 -6.211 -11.856 273 HA GLU 37 HA GLU 37 -4.299 -4.062 -13.426 274 HB2 GLU 37 1HB GLU 37 -5.217 -6.907 -13.931 275 HB3 GLU 37 2HB GLU 37 -4.878 -5.826 -15.324 276 HG2 GLU 37 1HG GLU 37 -2.660 -5.381 -14.422 277 HG3 GLU 37 2HG GLU 37 -2.991 -6.513 -13.076 278 H VAL 38 H VAL 38 -7.623 -5.192 -13.087 279 HA VAL 38 HA VAL 38 -8.616 -3.570 -15.315 280 HB VAL 38 HB VAL 38 -10.092 -4.692 -12.896 281 HG11 VAL 38 1HG1 VAL 38 -11.086 -3.388 -15.455 282 HG12 VAL 38 2HG1 VAL 38 -12.094 -4.342 -14.326 283 HG13 VAL 38 3HG1 VAL 38 -11.338 -2.837 -13.777 284 HG21 VAL 38 3HG2 VAL 38 -10.924 -6.350 -14.486 285 HG22 VAL 38 1HG2 VAL 38 -9.898 -5.653 -15.779 286 HG23 VAL 38 2HG2 VAL 38 -9.165 -6.444 -14.364 287 H LEU 39 H LEU 39 -8.415 -3.073 -11.744 288 HA LEU 39 HA LEU 39 -9.533 -0.448 -11.799 289 HB2 LEU 39 1HB LEU 39 -9.169 -1.918 -9.786 290 HB3 LEU 39 2HB LEU 39 -7.431 -1.611 -9.922 291 HG LEU 39 HG LEU 39 -7.982 0.871 -9.668 292 HD11 LEU 39 1HD1 LEU 39 -10.606 -0.247 -8.631 293 HD12 LEU 39 2HD1 LEU 39 -10.053 1.454 -8.557 294 HD13 LEU 39 3HD1 LEU 39 -10.425 0.701 -10.126 295 HD21 LEU 39 3HD2 LEU 39 -7.059 -0.510 -7.877 296 HD22 LEU 39 1HD2 LEU 39 -8.222 0.642 -7.192 297 HD23 LEU 39 2HD2 LEU 39 -8.690 -1.066 -7.412 298 H TYR 40 H TYR 40 -6.120 -1.499 -11.963 299 HA TYR 40 HA TYR 40 -5.052 1.158 -12.281 300 HB2 TYR 40 1HB TYR 40 -3.812 -0.732 -11.379 301 HB3 TYR 40 2HB TYR 40 -3.927 -1.588 -12.925 302 HD1 TYR 40 2HD TYR 40 -2.664 1.551 -11.324 303 HD2 TYR 40 1HD TYR 40 -2.303 -1.237 -14.588 304 HE1 TYR 40 2HE TYR 40 -0.583 2.712 -12.094 305 HE2 TYR 40 1HE TYR 40 -0.243 -0.085 -15.362 306 HH TYR 40 HH TYR 40 1.129 1.754 -15.038 307 H GLY 41 H GLY 41 -6.481 -1.090 -14.569 308 HA2 GLY 41 1HA GLY 41 -5.425 0.354 -16.910 309 HA3 GLY 41 2HA GLY 41 -6.520 -1.051 -16.877 310 H ASN 42 H ASN 42 -8.391 0.355 -15.033 311 HA ASN 42 HA ASN 42 -9.754 1.933 -17.183 312 HB2 ASN 42 1HB ASN 42 -10.475 -0.406 -16.437 313 HB3 ASN 42 2HB ASN 42 -10.926 0.318 -14.877 314 HD21 ASN 42 1HD2 ASN 42 -11.555 0.316 -18.339 315 HD22 ASN 42 2HD2 ASN 42 -13.191 1.013 -18.128 316 H THR 43 H THR 43 -8.732 2.139 -13.861 317 HA THR 43 HA THR 43 -10.480 4.533 -13.428 318 HB THR 43 HB THR 43 -9.483 2.514 -11.381 319 HG1 THR 43 1HG THR 43 -11.974 2.586 -12.699 320 HG21 THR 43 3HG2 THR 43 -11.607 3.222 -10.186 321 HG22 THR 43 1HG2 THR 43 -10.361 4.469 -10.273 322 HG23 THR 43 2HG2 THR 43 -11.761 4.549 -11.369 323 H ALA 44 H ALA 44 -7.279 3.657 -13.685 324 HA ALA 44 HA ALA 44 -6.091 5.166 -11.566 325 HB1 ALA 44 3HB ALA 44 -4.019 4.656 -12.720 326 HB2 ALA 44 1HB ALA 44 -5.091 3.245 -12.685 327 HB3 ALA 44 2HB ALA 44 -4.912 4.186 -14.189 328 H ASP 45 H ASP 45 -7.973 6.766 -13.359 329 HA ASP 45 HA ASP 45 -6.333 8.576 -14.902 330 HB2 ASP 45 1HB ASP 45 -8.468 9.912 -15.018 331 HB3 ASP 45 2HB ASP 45 -8.452 8.284 -15.711 332 H GLU 46 H GLU 46 -5.077 10.008 -14.181 333 HA GLU 46 HA GLU 46 -3.937 11.462 -12.915 334 HB2 GLU 46 1HB GLU 46 -6.621 12.376 -11.850 335 HB3 GLU 46 2HB GLU 46 -5.076 13.237 -11.758 336 HG2 GLU 46 1HG GLU 46 -6.617 12.574 -14.302 337 HG3 GLU 46 2HG GLU 46 -6.531 14.140 -13.488 338 H ILE 47 H ILE 47 -3.626 9.098 -11.993 339 HA ILE 47 HA ILE 47 -4.351 8.662 -9.289 340 HB ILE 47 HB ILE 47 -3.716 6.920 -10.869 341 HG12 ILE 47 1HG1 ILE 47 -1.762 6.831 -8.535 342 HG13 ILE 47 2HG1 ILE 47 -3.530 6.709 -8.317 343 HG21 ILE 47 1HG2 ILE 47 -0.739 7.290 -10.522 344 HG22 ILE 47 2HG2 ILE 47 -1.666 6.689 -11.923 345 HG23 ILE 47 3HG2 ILE 47 -1.522 8.437 -11.631 346 HD11 ILE 47 3HD1 ILE 47 -2.603 4.563 -8.360 347 HD12 ILE 47 1HD1 ILE 47 -3.561 4.770 -9.844 348 HD13 ILE 47 2HD1 ILE 47 -1.770 4.827 -9.916 349 H ILE 48 H ILE 48 -3.135 8.455 -7.477 350 HA ILE 48 HA ILE 48 -0.933 10.404 -7.088 351 HB ILE 48 HB ILE 48 -3.437 10.328 -5.350 352 HG12 ILE 48 1HG1 ILE 48 -4.020 11.397 -7.482 353 HG13 ILE 48 2HG1 ILE 48 -4.046 12.500 -6.113 354 HG21 ILE 48 1HG2 ILE 48 -0.923 12.091 -5.307 355 HG22 ILE 48 2HG2 ILE 48 -2.400 12.405 -4.356 356 HG23 ILE 48 3HG2 ILE 48 -1.458 10.941 -4.079 357 HD11 ILE 48 3HD1 ILE 48 -1.840 13.520 -6.846 358 HD12 ILE 48 1HD1 ILE 48 -1.844 12.450 -8.297 359 HD13 ILE 48 2HD1 ILE 48 -3.118 13.640 -8.053 360 H LYS 49 H LYS 49 -3.076 7.990 -5.377 361 HA LYS 49 HA LYS 49 -0.585 6.626 -4.531 362 HB2 LYS 49 1HB LYS 49 -2.760 7.324 -2.623 363 HB3 LYS 49 2HB LYS 49 -1.414 6.300 -2.242 364 HG2 LYS 49 1HG LYS 49 0.148 8.174 -2.615 365 HG3 LYS 49 2HG LYS 49 -1.242 9.256 -2.910 366 HD2 LYS 49 1HD LYS 49 -2.134 8.700 -0.666 367 HD3 LYS 49 2HD LYS 49 -0.645 7.760 -0.338 368 HE2 LYS 49 1HE LYS 49 -0.440 10.632 -1.325 369 HE3 LYS 49 2HE LYS 49 -0.955 10.322 0.378 370 HZ1 LYS 49 3HZ LYS 49 1.587 9.412 -0.839 371 HZ2 LYS 49 1HZ LYS 49 1.364 10.573 0.342 372 HZ3 LYS 49 2HZ LYS 49 0.995 8.995 0.633 373 H LEU 50 H LEU 50 -0.808 4.550 -3.943 374 HA LEU 50 HA LEU 50 -3.328 3.043 -4.360 375 HB2 LEU 50 1HB LEU 50 -2.170 3.495 -6.518 376 HB3 LEU 50 2HB LEU 50 -0.740 2.672 -5.899 377 HG LEU 50 HG LEU 50 -3.456 1.343 -6.245 378 HD11 LEU 50 1HD1 LEU 50 -2.366 0.508 -8.378 379 HD12 LEU 50 2HD1 LEU 50 -2.575 2.191 -8.433 380 HD13 LEU 50 3HD1 LEU 50 -0.966 1.463 -8.104 381 HD21 LEU 50 3HD2 LEU 50 -2.137 -0.014 -4.768 382 HD22 LEU 50 1HD2 LEU 50 -2.030 -0.732 -6.374 383 HD23 LEU 50 2HD2 LEU 50 -0.660 0.228 -5.765 384 H ARG 51 H ARG 51 -3.355 1.632 -2.682 385 HA ARG 51 HA ARG 51 -0.822 0.370 -1.728 386 HB2 ARG 51 1HB ARG 51 -1.703 2.248 -0.265 387 HB3 ARG 51 2HB ARG 51 -3.079 1.225 0.111 388 HG2 ARG 51 1HG ARG 51 -0.169 0.634 0.644 389 HG3 ARG 51 2HG ARG 51 -1.370 1.166 1.827 390 HD2 ARG 51 1HD ARG 51 -1.247 -1.519 0.409 391 HD3 ARG 51 2HD ARG 51 -0.865 -1.182 2.087 392 HE ARG 51 HE ARG 51 -3.590 -1.147 0.835 393 HH11 ARG 51 2HH2 ARG 51 -1.737 -1.289 3.852 394 HH12 ARG 51 1HH2 ARG 51 -3.124 -1.881 4.734 395 HH21 ARG 51 1HH1 ARG 51 -5.286 -1.852 2.047 396 HH22 ARG 51 2HH1 ARG 51 -5.050 -2.196 3.751 397 H LEU 52 H LEU 52 -1.153 -1.399 -2.944 398 HA LEU 52 HA LEU 52 -3.519 -3.099 -2.476 399 HB2 LEU 52 1HB LEU 52 -2.625 -2.977 -4.681 400 HB3 LEU 52 2HB LEU 52 -1.003 -3.416 -4.148 401 HG LEU 52 HG LEU 52 -3.351 -5.320 -3.717 402 HD11 LEU 52 1HD1 LEU 52 -2.523 -4.350 -6.298 403 HD12 LEU 52 2HD1 LEU 52 -1.761 -5.935 -6.122 404 HD13 LEU 52 3HD1 LEU 52 -3.523 -5.776 -5.946 405 HD21 LEU 52 3HD2 LEU 52 -1.578 -7.032 -4.066 406 HD22 LEU 52 1HD2 LEU 52 -0.362 -5.746 -4.202 407 HD23 LEU 52 2HD2 LEU 52 -1.213 -6.016 -2.659 408 H ASP 53 H ASP 53 -3.522 -4.773 -1.087 409 HA ASP 53 HA ASP 53 -1.008 -5.676 0.208 410 HB2 ASP 53 1HB ASP 53 -1.927 -3.685 1.456 411 HB3 ASP 53 2HB ASP 53 -3.400 -4.607 1.761 412 H LYS 54 H LYS 54 -1.078 -7.894 0.324 413 HA LYS 54 HA LYS 54 -3.498 -9.334 -0.244 414 HB2 LYS 54 1HB LYS 54 -2.473 -11.285 0.471 415 HB3 LYS 54 2HB LYS 54 -1.205 -10.335 -0.312 416 HG2 LYS 54 1HG LYS 54 -0.175 -9.786 1.774 417 HG3 LYS 54 2HG LYS 54 -1.552 -10.371 2.728 418 HD2 LYS 54 1HD LYS 54 0.065 -12.175 0.903 419 HD3 LYS 54 2HD LYS 54 0.465 -11.902 2.622 420 HE2 LYS 54 1HE LYS 54 -2.198 -12.987 1.603 421 HE3 LYS 54 2HE LYS 54 -0.829 -13.978 2.136 422 HZ1 LYS 54 3HZ LYS 54 -2.335 -13.722 3.952 423 HZ2 LYS 54 1HZ LYS 54 -0.985 -12.851 4.319 424 HZ3 LYS 54 2HZ LYS 54 -2.400 -12.103 3.851 425 H VAL 55 H VAL 55 -4.818 -10.579 0.945 426 HA VAL 55 HA VAL 55 -6.014 -9.134 3.078 427 HB VAL 55 HB VAL 55 -7.096 -10.583 1.411 428 HG11 VAL 55 1HG1 VAL 55 -5.616 -12.597 1.699 429 HG12 VAL 55 2HG1 VAL 55 -6.423 -12.886 3.264 430 HG13 VAL 55 3HG1 VAL 55 -7.358 -12.947 1.747 431 HG21 VAL 55 3HG2 VAL 55 -7.963 -11.143 4.243 432 HG22 VAL 55 1HG2 VAL 55 -8.316 -9.682 3.263 433 HG23 VAL 55 2HG2 VAL 55 -8.915 -11.272 2.759 434 H LEU 56 H LEU 56 -6.597 -9.962 4.932 435 HA LEU 56 HA LEU 56 -4.369 -10.700 6.724 436 HB2 LEU 56 1HB LEU 56 -5.856 -8.826 7.235 437 HB3 LEU 56 2HB LEU 56 -7.281 -9.913 7.207 438 HG LEU 56 HG LEU 56 -6.356 -11.169 9.170 439 HD11 LEU 56 1HD1 LEU 56 -4.601 -10.037 10.472 440 HD12 LEU 56 2HD1 LEU 56 -3.984 -10.686 8.925 441 HD13 LEU 56 3HD1 LEU 56 -4.311 -8.918 9.088 442 HD21 LEU 56 3HD2 LEU 56 -7.949 -9.577 9.710 443 HD22 LEU 56 1HD2 LEU 56 -6.591 -9.045 10.722 444 HD23 LEU 56 2HD2 LEU 56 -6.972 -8.177 9.190 445 H1 MET 1 1H MET 1 6.395 10.469 2.144 446 H2 MET 1 2H MET 1 6.262 11.865 1.277 447 H3 MET 1 3H MET 1 5.549 10.471 0.722 448 HA MET 1 HA MET 1 4.078 10.415 2.577 449 HB2 MET 1 1HB MET 1 5.623 11.643 4.117 450 HB3 MET 1 2HB MET 1 5.226 13.176 3.267 451 HG2 MET 1 1HG MET 1 3.919 12.827 5.293 452 HG3 MET 1 2HG MET 1 2.892 12.893 3.877 453 HE1 MET 1 3HE MET 1 0.818 11.002 5.859 454 HE2 MET 1 1HE MET 1 2.166 10.909 6.912 455 HE3 MET 1 2HE MET 1 1.901 12.394 5.833 456 H VAL 2 H VAL 2 4.944 13.425 0.830 457 HA VAL 2 HA VAL 2 2.250 13.357 -0.440 458 HB VAL 2 HB VAL 2 2.359 14.972 1.445 459 HG11 VAL 2 1HG1 VAL 2 4.712 15.636 1.313 460 HG12 VAL 2 2HG1 VAL 2 4.414 16.443 -0.255 461 HG13 VAL 2 3HG1 VAL 2 3.626 17.039 1.228 462 HG21 VAL 2 3HG2 VAL 2 0.865 15.336 -0.487 463 HG22 VAL 2 1HG2 VAL 2 1.379 16.833 0.325 464 HG23 VAL 2 2HG2 VAL 2 2.108 16.402 -1.228 465 H GLN 3 H GLN 3 2.315 14.642 -2.485 466 HA GLN 3 HA GLN 3 4.435 13.646 -4.030 467 HB2 GLN 3 1HB GLN 3 3.168 14.477 -5.914 468 HB3 GLN 3 2HB GLN 3 2.082 13.766 -4.720 469 HG2 GLN 3 1HG GLN 3 1.622 16.156 -3.894 470 HG3 GLN 3 2HG GLN 3 2.531 16.722 -5.310 471 HE21 GLN 3 1HE2 GLN 3 -0.477 15.377 -4.197 472 HE22 GLN 3 2HE2 GLN 3 -1.247 15.489 -5.807 473 H ASN 4 H ASN 4 5.472 15.395 -2.272 474 HA ASN 4 HA ASN 4 7.177 17.045 -4.025 475 HB2 ASN 4 1HB ASN 4 5.255 18.518 -3.403 476 HB3 ASN 4 2HB ASN 4 5.658 18.303 -1.686 477 HD21 ASN 4 1HD2 ASN 4 7.146 19.321 -4.798 478 HD22 ASN 4 2HD2 ASN 4 8.102 20.592 -4.000 479 H ASP 5 H ASP 5 6.815 15.316 -0.930 480 HA ASP 5 HA ASP 5 9.249 16.583 0.083 481 HB2 ASP 5 1HB ASP 5 8.562 15.968 2.108 482 HB3 ASP 5 2HB ASP 5 7.014 16.191 1.311 483 H PHE 6 H PHE 6 8.240 13.380 -0.996 484 HA PHE 6 HA PHE 6 10.889 12.168 -0.728 485 HB2 PHE 6 1HB PHE 6 8.475 11.691 -2.511 486 HB3 PHE 6 2HB PHE 6 9.959 10.737 -2.661 487 HD1 PHE 6 1HD PHE 6 10.154 10.821 0.677 488 HD2 PHE 6 2HD PHE 6 7.432 9.464 -2.395 489 HE1 PHE 6 1HE PHE 6 9.382 9.004 2.148 490 HE2 PHE 6 2HE PHE 6 6.658 7.657 -0.911 491 HZ PHE 6 HZ PHE 6 7.674 7.381 1.354 492 H VAL 7 H VAL 7 9.759 14.683 -2.596 493 HA VAL 7 HA VAL 7 10.315 15.708 -4.510 494 HB VAL 7 HB VAL 7 11.337 16.596 -2.519 495 HG11 VAL 7 1HG1 VAL 7 13.085 15.620 -1.520 496 HG12 VAL 7 2HG1 VAL 7 13.592 14.696 -2.977 497 HG13 VAL 7 3HG1 VAL 7 14.094 16.397 -2.765 498 HG21 VAL 7 3HG2 VAL 7 13.115 18.038 -3.765 499 HG22 VAL 7 1HG2 VAL 7 12.737 17.040 -5.185 500 HG23 VAL 7 2HG2 VAL 7 11.450 18.022 -4.393 501 H ASP 8 H ASP 8 10.065 13.687 -5.750 502 HA ASP 8 HA ASP 8 12.244 13.484 -7.679 503 HB2 ASP 8 1HB ASP 8 12.545 11.816 -5.635 504 HB3 ASP 8 2HB ASP 8 11.309 10.872 -6.444 505 H SER 9 H SER 9 11.097 11.017 -8.659 506 HA SER 9 HA SER 9 8.343 11.747 -9.636 507 HB2 SER 9 1HB SER 9 10.197 9.563 -10.649 508 HB3 SER 9 2HB SER 9 8.681 10.172 -11.385 509 HG SER 9 HG SER 9 9.868 12.193 -11.556 510 H TYR 10 H TYR 10 7.293 9.344 -10.072 511 HA TYR 10 HA TYR 10 5.942 8.748 -7.710 512 HB2 TYR 10 1HB TYR 10 6.559 6.907 -10.060 513 HB3 TYR 10 2HB TYR 10 5.507 6.493 -8.734 514 HD1 TYR 10 1HD TYR 10 5.895 9.029 -11.485 515 HD2 TYR 10 2HD TYR 10 3.295 7.050 -8.675 516 HE1 TYR 10 1HE TYR 10 3.924 9.993 -12.636 517 HE2 TYR 10 2HE TYR 10 1.311 8.054 -9.800 518 HH TYR 10 HH TYR 10 1.642 10.107 -12.680 519 H ASP 11 H ASP 11 6.300 7.547 -5.940 520 HA ASP 11 HA ASP 11 8.702 5.807 -5.697 521 HB2 ASP 11 1HB ASP 11 8.251 7.575 -4.010 522 HB3 ASP 11 2HB ASP 11 6.686 6.842 -3.664 523 H VAL 12 H VAL 12 8.524 3.702 -5.826 524 HA VAL 12 HA VAL 12 5.894 2.391 -5.278 525 HB VAL 12 HB VAL 12 8.146 1.482 -7.111 526 HG11 VAL 12 1HG1 VAL 12 5.603 0.094 -6.114 527 HG12 VAL 12 2HG1 VAL 12 6.494 -0.426 -7.549 528 HG13 VAL 12 3HG1 VAL 12 7.287 -0.491 -5.967 529 HG21 VAL 12 3HG2 VAL 12 6.514 3.165 -8.037 530 HG22 VAL 12 1HG2 VAL 12 6.389 1.575 -8.817 531 HG23 VAL 12 2HG2 VAL 12 5.193 2.074 -7.584 532 H THR 13 H THR 13 5.906 1.362 -3.462 533 HA THR 13 HA THR 13 8.413 0.090 -2.403 534 HB THR 13 HB THR 13 6.162 1.396 -0.839 535 HG1 THR 13 1HG THR 13 7.837 2.788 -1.783 536 HG21 THR 13 3HG2 THR 13 7.607 0.927 1.129 537 HG22 THR 13 1HG2 THR 13 7.035 -0.577 0.373 538 HG23 THR 13 2HG2 THR 13 8.709 -0.012 0.099 539 H MET 14 H MET 14 8.071 -1.878 -3.294 540 HA MET 14 HA MET 14 5.445 -3.222 -2.801 541 HB2 MET 14 1HB MET 14 5.788 -2.737 -5.108 542 HB3 MET 14 2HB MET 14 7.437 -3.374 -5.089 543 HG2 MET 14 1HG MET 14 6.661 -5.617 -4.850 544 HG3 MET 14 2HG MET 14 5.026 -5.089 -4.405 545 HE1 MET 14 3HE MET 14 7.650 -4.327 -7.108 546 HE2 MET 14 1HE MET 14 7.422 -6.063 -7.403 547 HE3 MET 14 2HE MET 14 6.876 -4.901 -8.620 548 H LEU 15 H LEU 15 5.464 -5.341 -2.117 549 HA LEU 15 HA LEU 15 8.027 -6.367 -0.979 550 HB2 LEU 15 1HB LEU 15 5.301 -6.467 0.379 551 HB3 LEU 15 2HB LEU 15 6.877 -6.976 1.027 552 HG LEU 15 HG LEU 15 6.015 -4.086 0.493 553 HD11 LEU 15 1HD1 LEU 15 6.535 -5.681 3.053 554 HD12 LEU 15 2HD1 LEU 15 6.063 -3.963 2.950 555 HD13 LEU 15 3HD1 LEU 15 4.924 -5.254 2.447 556 HD21 LEU 15 3HD2 LEU 15 8.650 -4.808 0.390 557 HD22 LEU 15 1HD2 LEU 15 8.128 -3.368 1.279 558 HD23 LEU 15 2HD2 LEU 15 8.455 -4.892 2.153 559 H LEU 16 H LEU 16 8.341 -8.451 -1.222 560 HA LEU 16 HA LEU 16 6.163 -10.224 -2.257 561 HB2 LEU 16 1HB LEU 16 9.121 -10.021 -3.043 562 HB3 LEU 16 2HB LEU 16 8.063 -11.411 -3.473 563 HG LEU 16 HG LEU 16 8.343 -10.176 -5.404 564 HD11 LEU 16 1HD1 LEU 16 5.648 -9.382 -4.203 565 HD12 LEU 16 2HD1 LEU 16 5.997 -9.512 -5.951 566 HD13 LEU 16 3HD1 LEU 16 5.993 -10.980 -4.946 567 HD21 LEU 16 3HD2 LEU 16 8.039 -7.938 -5.758 568 HD22 LEU 16 1HD2 LEU 16 7.136 -7.703 -4.239 569 HD23 LEU 16 2HD2 LEU 16 8.925 -7.828 -4.222 570 H GLN 17 H GLN 17 6.689 -12.494 -1.942 571 HA GLN 17 HA GLN 17 8.164 -12.967 0.602 572 HB2 GLN 17 1HB GLN 17 5.768 -13.428 0.574 573 HB3 GLN 17 2HB GLN 17 5.988 -14.574 -0.770 574 HG2 GLN 17 1HG GLN 17 7.284 -16.047 0.625 575 HG3 GLN 17 2HG GLN 17 7.344 -14.839 1.939 576 HE21 GLN 17 1HE2 GLN 17 5.091 -17.015 0.129 577 HE22 GLN 17 2HE2 GLN 17 3.957 -17.007 1.496 578 H ASP 18 H ASP 18 9.753 -14.330 0.759 579 HA ASP 18 HA ASP 18 11.156 -15.313 -1.620 580 HB2 ASP 18 1HB ASP 18 12.225 -14.212 0.367 581 HB3 ASP 18 2HB ASP 18 11.731 -15.608 1.353 582 H ASP 19 H ASP 19 11.931 -17.588 -1.700 583 HA ASP 19 HA ASP 19 9.750 -19.422 -1.360 584 HB2 ASP 19 1HB ASP 19 11.131 -21.007 -2.331 585 HB3 ASP 19 2HB ASP 19 11.469 -19.471 -3.147 586 H ASP 20 H ASP 20 12.337 -18.524 0.815 587 HA ASP 20 HA ASP 20 11.915 -20.821 2.609 588 HB2 ASP 20 1HB ASP 20 13.989 -19.393 2.408 589 HB3 ASP 20 2HB ASP 20 13.070 -18.056 3.121 590 H GLY 21 H GLY 21 10.079 -18.077 1.838 591 HA2 GLY 21 1HA GLY 21 8.000 -17.542 2.706 592 HA3 GLY 21 2HA GLY 21 8.369 -18.379 4.234 593 H LYS 22 H LYS 22 10.881 -16.307 3.304 594 HA LYS 22 HA LYS 22 10.228 -14.334 5.415 595 HB2 LYS 22 1HB LYS 22 12.545 -14.574 3.428 596 HB3 LYS 22 2HB LYS 22 12.403 -13.342 4.709 597 HG2 LYS 22 1HG LYS 22 12.297 -15.218 6.399 598 HG3 LYS 22 2HG LYS 22 12.691 -16.349 5.061 599 HD2 LYS 22 1HD LYS 22 14.756 -15.022 4.584 600 HD3 LYS 22 2HD LYS 22 14.332 -13.904 5.921 601 HE2 LYS 22 1HE LYS 22 15.900 -15.278 6.903 602 HE3 LYS 22 2HE LYS 22 14.317 -15.969 7.459 603 HZ1 LYS 22 3HZ LYS 22 15.670 -17.030 5.096 604 HZ2 LYS 22 1HZ LYS 22 16.037 -17.574 6.607 605 HZ3 LYS 22 2HZ LYS 22 14.491 -17.670 6.010 606 H GLN 23 H GLN 23 10.413 -11.994 4.826 607 HA GLN 23 HA GLN 23 9.003 -11.400 2.265 608 HB2 GLN 23 1HB GLN 23 9.904 -9.576 4.536 609 HB3 GLN 23 2HB GLN 23 8.824 -9.155 3.178 610 HG2 GLN 23 1HG GLN 23 8.195 -11.180 5.387 611 HG3 GLN 23 2HG GLN 23 7.678 -9.487 5.333 612 HE21 GLN 23 1HE2 GLN 23 7.096 -12.698 3.993 613 HE22 GLN 23 2HE2 GLN 23 5.653 -12.134 3.122 614 H TYR 24 H TYR 24 9.906 -10.065 0.685 615 HA TYR 24 HA TYR 24 12.441 -8.735 1.366 616 HB2 TYR 24 1HB TYR 24 13.620 -9.276 -0.574 617 HB3 TYR 24 2HB TYR 24 13.108 -10.785 0.158 618 HD1 TYR 24 2HD TYR 24 12.763 -8.517 -2.713 619 HD2 TYR 24 1HD TYR 24 11.459 -12.240 -0.954 620 HE1 TYR 24 2HE TYR 24 11.952 -9.287 -4.940 621 HE2 TYR 24 1HE TYR 24 10.677 -13.019 -3.192 622 HH TYR 24 HH TYR 24 10.261 -12.441 -5.378 623 H TYR 25 H TYR 25 12.927 -6.940 0.000 624 HA TYR 25 HA TYR 25 10.409 -5.483 -0.598 625 HB2 TYR 25 1HB TYR 25 13.205 -4.649 0.261 626 HB3 TYR 25 2HB TYR 25 12.003 -3.504 -0.329 627 HD1 TYR 25 2HD TYR 25 12.300 -6.235 2.280 628 HD2 TYR 25 1HD TYR 25 10.762 -2.355 1.178 629 HE1 TYR 25 2HE TYR 25 11.401 -5.932 4.573 630 HE2 TYR 25 1HE TYR 25 9.914 -2.033 3.486 631 HH TYR 25 HH TYR 25 9.645 -3.018 5.532 632 H GLU 26 H GLU 26 10.126 -4.327 -2.320 633 HA GLU 26 HA GLU 26 12.263 -3.834 -4.325 634 HB2 GLU 26 1HB GLU 26 9.365 -4.663 -4.731 635 HB3 GLU 26 2HB GLU 26 10.293 -3.834 -5.986 636 HG2 GLU 26 1HG GLU 26 11.029 -6.515 -4.737 637 HG3 GLU 26 2HG GLU 26 10.158 -6.285 -6.250 638 H TYR 27 H TYR 27 12.507 -2.099 -2.820 639 HA TYR 27 HA TYR 27 10.562 0.122 -2.876 640 HB2 TYR 27 1HB TYR 27 11.646 -0.272 -0.795 641 HB3 TYR 27 2HB TYR 27 13.233 -0.417 -1.564 642 HD1 TYR 27 1HD TYR 27 10.488 2.192 -1.790 643 HD2 TYR 27 2HD TYR 27 14.607 1.272 -0.883 644 HE1 TYR 27 1HE TYR 27 10.945 4.591 -1.455 645 HE2 TYR 27 2HE TYR 27 15.048 3.699 -0.480 646 HH TYR 27 HH TYR 27 12.447 6.103 -0.741 647 H HIS 28 H HIS 28 10.548 1.442 -4.501 648 HA HIS 28 HA HIS 28 12.984 2.266 -5.976 649 HB2 HIS 28 1HB HIS 28 10.417 1.197 -7.204 650 HB3 HIS 28 2HB HIS 28 11.752 1.970 -8.084 651 HD1 HIS 28 1HD HIS 28 14.049 0.584 -8.253 652 HD2 HIS 28 2HD HIS 28 10.759 -1.333 -6.439 653 HE1 HIS 28 1HE HIS 28 14.655 -1.933 -8.090 654 HE2 HIS 28 2HE HIS 28 12.669 -3.107 -7.002 655 H LYS 29 H LYS 29 12.777 4.169 -4.773 656 HA LYS 29 HA LYS 29 10.621 6.082 -5.249 657 HB2 LYS 29 1HB LYS 29 12.116 6.204 -3.322 658 HB3 LYS 29 2HB LYS 29 13.513 6.397 -4.411 659 HG2 LYS 29 1HG LYS 29 12.564 8.546 -5.238 660 HG3 LYS 29 2HG LYS 29 11.126 8.298 -4.214 661 HD2 LYS 29 1HD LYS 29 12.611 9.901 -3.179 662 HD3 LYS 29 2HD LYS 29 12.516 8.413 -2.184 663 HE2 LYS 29 1HE LYS 29 14.767 9.046 -2.175 664 HE3 LYS 29 2HE LYS 29 14.658 7.663 -3.280 665 HZ1 LYS 29 3HZ LYS 29 15.722 9.006 -4.675 666 HZ2 LYS 29 1HZ LYS 29 14.361 9.894 -4.928 667 HZ3 LYS 29 2HZ LYS 29 15.439 10.353 -3.765 668 H GLY 30 H GLY 30 10.481 7.551 -6.940 669 HA2 GLY 30 1HA GLY 30 11.298 9.021 -8.518 670 HA3 GLY 30 2HA GLY 30 12.923 8.344 -8.295 671 H LEU 31 H LEU 31 9.819 6.998 -9.476 672 HA LEU 31 HA LEU 31 10.998 6.737 -12.161 673 HB2 LEU 31 1HB LEU 31 10.378 4.399 -12.398 674 HB3 LEU 31 2HB LEU 31 11.666 4.709 -11.267 675 HG LEU 31 HG LEU 31 10.265 4.247 -9.351 676 HD11 LEU 31 1HD1 LEU 31 8.037 3.232 -9.641 677 HD12 LEU 31 2HD1 LEU 31 8.049 4.941 -10.062 678 HD13 LEU 31 3HD1 LEU 31 8.031 3.697 -11.356 679 HD21 LEU 31 3HD2 LEU 31 11.447 2.426 -10.528 680 HD22 LEU 31 1HD2 LEU 31 9.939 1.866 -9.767 681 HD23 LEU 31 2HD2 LEU 31 10.001 2.133 -11.529 682 H SER 32 H SER 32 8.796 5.332 -13.327 683 HA SER 32 HA SER 32 6.520 7.140 -12.670 684 HB2 SER 32 1HB SER 32 6.358 7.967 -14.823 685 HB3 SER 32 2HB SER 32 8.090 8.044 -14.480 686 HG SER 32 HG SER 32 8.509 6.309 -15.787 687 H LEU 33 H LEU 33 4.600 6.540 -14.280 688 HA LEU 33 HA LEU 33 3.776 3.996 -13.308 689 HB2 LEU 33 1HB LEU 33 2.652 5.767 -15.518 690 HB3 LEU 33 2HB LEU 33 1.814 4.362 -14.848 691 HG LEU 33 HG LEU 33 2.678 6.785 -13.199 692 HD11 LEU 33 1HD1 LEU 33 0.321 7.393 -13.217 693 HD12 LEU 33 2HD1 LEU 33 0.985 7.346 -14.870 694 HD13 LEU 33 3HD1 LEU 33 -0.056 6.010 -14.282 695 HD21 LEU 33 3HD2 LEU 33 2.421 4.751 -11.869 696 HD22 LEU 33 1HD2 LEU 33 1.111 5.893 -11.522 697 HD23 LEU 33 2HD2 LEU 33 0.800 4.476 -12.564 698 H SER 34 H SER 34 5.205 4.858 -16.391 699 HA SER 34 HA SER 34 4.773 2.240 -17.594 700 HB2 SER 34 1HB SER 34 5.162 4.353 -18.856 701 HB3 SER 34 2HB SER 34 6.840 4.392 -18.247 702 HG SER 34 HG SER 34 5.851 2.969 -20.261 703 H ASP 35 H ASP 35 7.298 3.617 -15.522 704 HA ASP 35 HA ASP 35 9.149 1.367 -15.857 705 HB2 ASP 35 1HB ASP 35 8.924 3.496 -13.718 706 HB3 ASP 35 2HB ASP 35 10.304 2.428 -13.982 707 H PHE 36 H PHE 36 6.538 2.298 -13.617 708 HA PHE 36 HA PHE 36 6.845 0.111 -11.776 709 HB2 PHE 36 1HB PHE 36 5.529 1.932 -11.102 710 HB3 PHE 36 2HB PHE 36 4.565 1.912 -12.581 711 HD1 PHE 36 1HD PHE 36 5.482 -0.624 -9.920 712 HD2 PHE 36 2HD PHE 36 2.406 1.218 -12.306 713 HE1 PHE 36 1HE PHE 36 3.817 -2.210 -9.011 714 HE2 PHE 36 2HE PHE 36 0.726 -0.330 -11.338 715 HZ PHE 36 HZ PHE 36 1.429 -2.053 -9.689 716 H GLU 37 H GLU 37 5.013 0.368 -14.884 717 HA GLU 37 HA GLU 37 3.955 -2.278 -14.845 718 HB2 GLU 37 1HB GLU 37 4.738 -0.288 -17.000 719 HB3 GLU 37 2HB GLU 37 4.201 -1.914 -17.437 720 HG2 GLU 37 1HG GLU 37 2.468 -0.470 -15.442 721 HG3 GLU 37 2HG GLU 37 2.584 0.250 -17.066 722 H VAL 38 H VAL 38 7.180 -1.116 -15.809 723 HA VAL 38 HA VAL 38 8.089 -3.717 -16.713 724 HB VAL 38 HB VAL 38 9.661 -1.288 -15.739 725 HG11 VAL 38 1HG1 VAL 38 11.560 -2.279 -16.921 726 HG12 VAL 38 2HG1 VAL 38 11.042 -3.314 -15.582 727 HG13 VAL 38 3HG1 VAL 38 10.610 -3.744 -17.266 728 HG21 VAL 38 3HG2 VAL 38 9.024 -2.326 -18.535 729 HG22 VAL 38 1HG2 VAL 38 8.340 -0.871 -17.774 730 HG23 VAL 38 2HG2 VAL 38 10.068 -0.935 -18.131 731 H LEU 39 H LEU 39 8.389 -1.995 -13.572 732 HA LEU 39 HA LEU 39 9.841 -4.015 -12.229 733 HB2 LEU 39 1HB LEU 39 9.657 -1.757 -11.419 734 HB3 LEU 39 2HB LEU 39 7.896 -1.866 -11.310 735 HG LEU 39 HG LEU 39 8.050 -3.427 -9.444 736 HD11 LEU 39 1HD1 LEU 39 10.224 -4.503 -9.963 737 HD12 LEU 39 2HD1 LEU 39 11.054 -2.956 -9.638 738 HD13 LEU 39 3HD1 LEU 39 10.211 -3.826 -8.326 739 HD21 LEU 39 3HD2 LEU 39 7.989 -1.013 -9.059 740 HD22 LEU 39 1HD2 LEU 39 8.912 -1.854 -7.790 741 HD23 LEU 39 2HD2 LEU 39 9.768 -0.954 -9.079 742 H TYR 40 H TYR 40 6.262 -3.512 -12.198 743 HA TYR 40 HA TYR 40 5.716 -5.873 -10.655 744 HB2 TYR 40 1HB TYR 40 4.154 -4.036 -10.880 745 HB3 TYR 40 2HB TYR 40 4.023 -4.292 -12.632 746 HD1 TYR 40 1HD TYR 40 3.461 -5.897 -9.308 747 HD2 TYR 40 2HD TYR 40 2.376 -5.725 -13.476 748 HE1 TYR 40 1HE TYR 40 1.522 -7.441 -8.890 749 HE2 TYR 40 2HE TYR 40 0.446 -7.256 -13.045 750 HH TYR 40 HH TYR 40 -0.705 -8.402 -11.482 751 H GLY 41 H GLY 41 5.919 -5.339 -14.198 752 HA2 GLY 41 1HA GLY 41 5.077 -7.945 -14.957 753 HA3 GLY 41 2HA GLY 41 6.015 -6.791 -15.935 754 H ASN 42 H ASN 42 8.320 -6.759 -14.068 755 HA ASN 42 HA ASN 42 9.601 -9.281 -14.951 756 HB2 ASN 42 1HB ASN 42 10.506 -6.643 -13.737 757 HB3 ASN 42 2HB ASN 42 11.568 -8.058 -13.731 758 HD21 ASN 42 1HD2 ASN 42 9.916 -5.762 -15.832 759 HD22 ASN 42 2HD2 ASN 42 10.874 -6.256 -17.273 760 H THR 43 H THR 43 8.296 -7.918 -11.985 761 HA THR 43 HA THR 43 9.723 -9.585 -10.170 762 HB THR 43 HB THR 43 7.033 -8.168 -9.959 763 HG1 THR 43 1HG THR 43 8.738 -6.778 -10.203 764 HG21 THR 43 3HG2 THR 43 8.787 -9.423 -7.802 765 HG22 THR 43 1HG2 THR 43 7.416 -8.291 -7.580 766 HG23 THR 43 2HG2 THR 43 7.112 -9.889 -8.217 767 H ALA 44 H ALA 44 6.310 -9.930 -11.256 768 HA ALA 44 HA ALA 44 4.871 -11.639 -11.143 769 HB1 ALA 44 3HB ALA 44 5.507 -13.485 -12.591 770 HB2 ALA 44 1HB ALA 44 6.043 -11.920 -13.256 771 HB3 ALA 44 2HB ALA 44 7.224 -13.016 -12.471 772 H ASP 45 H ASP 45 6.221 -11.493 -8.703 773 HA ASP 45 HA ASP 45 6.308 -14.331 -7.775 774 HB2 ASP 45 1HB ASP 45 8.377 -12.923 -7.816 775 HB3 ASP 45 2HB ASP 45 7.652 -11.987 -6.502 776 H GLU 46 H GLU 46 5.984 -14.337 -5.293 777 HA GLU 46 HA GLU 46 3.190 -14.011 -4.854 778 HB2 GLU 46 1HB GLU 46 5.502 -14.565 -2.958 779 HB3 GLU 46 2HB GLU 46 3.782 -14.632 -2.497 780 HG2 GLU 46 1HG GLU 46 3.412 -16.330 -4.295 781 HG3 GLU 46 2HG GLU 46 5.157 -16.341 -4.605 782 H ILE 47 H ILE 47 2.642 -11.887 -5.203 783 HA ILE 47 HA ILE 47 3.632 -9.633 -3.830 784 HB ILE 47 HB ILE 47 0.918 -10.226 -5.041 785 HG12 ILE 47 1HG1 ILE 47 2.933 -10.208 -6.572 786 HG13 ILE 47 2HG1 ILE 47 1.622 -9.092 -6.973 787 HG21 ILE 47 1HG2 ILE 47 0.685 -7.702 -5.146 788 HG22 ILE 47 2HG2 ILE 47 0.509 -8.416 -3.531 789 HG23 ILE 47 3HG2 ILE 47 2.004 -7.586 -3.957 790 HD11 ILE 47 3HD1 ILE 47 4.396 -8.488 -6.600 791 HD12 ILE 47 1HD1 ILE 47 3.118 -7.377 -7.033 792 HD13 ILE 47 2HD1 ILE 47 3.551 -7.637 -5.322 793 H ILE 48 H ILE 48 3.419 -8.819 -1.995 794 HA ILE 48 HA ILE 48 1.474 -9.863 0.018 795 HB ILE 48 HB ILE 48 4.288 -8.721 0.403 796 HG12 ILE 48 1HG1 ILE 48 4.520 -10.927 -0.544 797 HG13 ILE 48 2HG1 ILE 48 4.948 -10.953 1.165 798 HG21 ILE 48 1HG2 ILE 48 2.654 -10.129 2.578 799 HG22 ILE 48 2HG2 ILE 48 4.004 -8.982 2.691 800 HG23 ILE 48 3HG2 ILE 48 2.413 -8.384 2.278 801 HD11 ILE 48 3HD1 ILE 48 3.320 -12.815 -0.054 802 HD12 ILE 48 1HD1 ILE 48 3.291 -12.477 1.697 803 HD13 ILE 48 2HD1 ILE 48 2.080 -11.750 0.611 804 H LYS 49 H LYS 49 3.427 -7.021 -0.944 805 HA LYS 49 HA LYS 49 1.044 -5.310 -0.548 806 HB2 LYS 49 1HB LYS 49 2.547 -5.417 1.557 807 HB3 LYS 49 2HB LYS 49 3.752 -4.551 0.576 808 HG2 LYS 49 1HG LYS 49 2.082 -2.725 0.217 809 HG3 LYS 49 2HG LYS 49 0.962 -3.585 1.291 810 HD2 LYS 49 1HD LYS 49 3.726 -2.502 1.987 811 HD3 LYS 49 2HD LYS 49 2.176 -1.754 2.419 812 HE2 LYS 49 1HE LYS 49 3.175 -4.466 3.385 813 HE3 LYS 49 2HE LYS 49 3.286 -2.946 4.289 814 HZ1 LYS 49 3HZ LYS 49 0.740 -4.253 3.467 815 HZ2 LYS 49 1HZ LYS 49 1.392 -4.265 4.955 816 HZ3 LYS 49 2HZ LYS 49 0.883 -2.838 4.320 817 H LEU 50 H LEU 50 1.060 -3.505 -1.830 818 HA LEU 50 HA LEU 50 3.499 -2.715 -3.297 819 HB2 LEU 50 1HB LEU 50 2.837 -4.068 -4.978 820 HB3 LEU 50 2HB LEU 50 1.126 -4.048 -4.478 821 HG LEU 50 HG LEU 50 0.790 -1.882 -5.510 822 HD11 LEU 50 1HD1 LEU 50 2.534 -0.556 -6.004 823 HD12 LEU 50 2HD1 LEU 50 3.730 -1.874 -5.667 824 HD13 LEU 50 3HD1 LEU 50 2.983 -1.655 -7.271 825 HD21 LEU 50 3HD2 LEU 50 0.898 -4.360 -6.686 826 HD22 LEU 50 1HD2 LEU 50 0.428 -2.856 -7.547 827 HD23 LEU 50 2HD2 LEU 50 2.084 -3.534 -7.720 828 H ARG 51 H ARG 51 3.733 -0.793 -2.588 829 HA ARG 51 HA ARG 51 1.414 1.044 -2.394 830 HB2 ARG 51 1HB ARG 51 2.937 0.333 -0.389 831 HB3 ARG 51 2HB ARG 51 4.086 1.487 -1.056 832 HG2 ARG 51 1HG ARG 51 1.191 2.159 -0.475 833 HG3 ARG 51 2HG ARG 51 2.436 2.275 0.765 834 HD2 ARG 51 1HD ARG 51 2.628 3.803 -1.862 835 HD3 ARG 51 2HD ARG 51 1.739 4.399 -0.462 836 HE ARG 51 HE ARG 51 3.691 4.592 0.815 837 HH11 ARG 51 2HH2 ARG 51 4.620 3.761 -2.547 838 HH12 ARG 51 1HH2 ARG 51 6.235 4.375 -2.238 839 HH21 ARG 51 1HH1 ARG 51 5.804 5.150 1.045 840 HH22 ARG 51 2HH1 ARG 51 6.883 4.965 -0.330 841 H LEU 52 H LEU 52 1.253 2.215 -4.205 842 HA LEU 52 HA LEU 52 3.746 3.436 -5.339 843 HB2 LEU 52 1HB LEU 52 2.772 2.053 -6.948 844 HB3 LEU 52 2HB LEU 52 1.159 2.698 -6.696 845 HG LEU 52 HG LEU 52 3.335 4.619 -7.546 846 HD11 LEU 52 1HD1 LEU 52 3.511 2.631 -9.053 847 HD12 LEU 52 2HD1 LEU 52 1.772 2.784 -9.423 848 HD13 LEU 52 3HD1 LEU 52 2.908 4.088 -9.875 849 HD21 LEU 52 3HD2 LEU 52 0.743 5.172 -6.996 850 HD22 LEU 52 1HD2 LEU 52 1.505 5.892 -8.420 851 HD23 LEU 52 2HD2 LEU 52 0.458 4.468 -8.604 852 H ASP 53 H ASP 53 3.921 5.569 -5.363 853 HA ASP 53 HA ASP 53 1.751 7.296 -4.293 854 HB2 ASP 53 1HB ASP 53 3.122 6.054 -2.505 855 HB3 ASP 53 2HB ASP 53 4.499 7.027 -2.996 856 H LYS 54 H LYS 54 1.681 8.769 -5.903 857 HA LYS 54 HA LYS 54 3.825 9.423 -7.645 858 HB2 LYS 54 1HB LYS 54 1.382 9.823 -8.015 859 HB3 LYS 54 2HB LYS 54 1.490 11.109 -6.795 860 HG2 LYS 54 1HG LYS 54 3.005 12.415 -8.165 861 HG3 LYS 54 2HG LYS 54 3.144 11.093 -9.352 862 HD2 LYS 54 1HD LYS 54 0.696 11.329 -9.816 863 HD3 LYS 54 2HD LYS 54 0.640 12.676 -8.637 864 HE2 LYS 54 1HE LYS 54 2.424 13.831 -9.982 865 HE3 LYS 54 2HE LYS 54 2.288 12.536 -11.197 866 HZ1 LYS 54 3HZ LYS 54 0.157 14.380 -10.322 867 HZ2 LYS 54 1HZ LYS 54 0.886 14.355 -11.805 868 HZ3 LYS 54 2HZ LYS 54 -0.097 13.106 -11.330 869 H VAL 55 H VAL 55 5.336 10.840 -7.702 870 HA VAL 55 HA VAL 55 5.286 13.171 -5.928 871 HB VAL 55 HB VAL 55 7.972 12.102 -6.690 872 HG11 VAL 55 1HG1 VAL 55 7.731 14.353 -5.667 873 HG12 VAL 55 2HG1 VAL 55 6.939 13.605 -4.248 874 HG13 VAL 55 3HG1 VAL 55 8.624 13.236 -4.618 875 HG21 VAL 55 3HG2 VAL 55 8.257 10.897 -4.610 876 HG22 VAL 55 1HG2 VAL 55 6.534 11.154 -4.177 877 HG23 VAL 55 2HG2 VAL 55 7.001 10.129 -5.556 878 H LEU 56 H LEU 56 5.986 14.992 -6.917 879 HA LEU 56 HA LEU 56 5.634 14.850 -9.872 880 HB2 LEU 56 1HB LEU 56 3.668 15.480 -8.559 881 HB3 LEU 56 2HB LEU 56 4.610 16.734 -7.721 882 HG LEU 56 HG LEU 56 4.898 17.973 -9.883 883 HD11 LEU 56 1HD1 LEU 56 4.572 16.095 -11.452 884 HD12 LEU 56 2HD1 LEU 56 2.896 15.893 -10.856 885 HD13 LEU 56 3HD1 LEU 56 3.369 17.386 -11.722 886 HD21 LEU 56 3HD2 LEU 56 3.143 18.479 -8.275 887 HD22 LEU 56 1HD2 LEU 56 2.594 18.769 -9.945 888 HD23 LEU 56 2HD2 LEU 56 2.052 17.300 -9.065 Start of MODEL 11 1 H1 MET 1 1H MET 1 -21.990 -11.282 1.784 2 H2 MET 1 2H MET 1 -21.806 -10.807 0.216 3 H3 MET 1 3H MET 1 -22.256 -9.718 1.361 4 HA MET 1 HA MET 1 -19.755 -11.083 1.786 5 HB2 MET 1 1HB MET 1 -19.716 -10.483 -0.594 6 HB3 MET 1 2HB MET 1 -20.076 -8.791 -0.195 7 HG2 MET 1 1HG MET 1 -17.970 -8.492 0.873 8 HG3 MET 1 2HG MET 1 -17.703 -10.234 1.027 9 HE1 MET 1 3HE MET 1 -14.998 -9.202 -1.570 10 HE2 MET 1 1HE MET 1 -15.467 -8.560 0.038 11 HE3 MET 1 2HE MET 1 -15.291 -10.366 -0.224 12 H VAL 2 H VAL 2 -19.862 -10.522 3.969 13 HA VAL 2 HA VAL 2 -20.568 -7.712 4.625 14 HB VAL 2 HB VAL 2 -20.644 -8.531 6.937 15 HG11 VAL 2 1HG1 VAL 2 -22.657 -8.559 5.451 16 HG12 VAL 2 2HG1 VAL 2 -22.309 -10.252 5.050 17 HG13 VAL 2 3HG1 VAL 2 -22.702 -9.798 6.714 18 HG21 VAL 2 3HG2 VAL 2 -20.166 -11.314 5.758 19 HG22 VAL 2 1HG2 VAL 2 -19.009 -10.416 6.751 20 HG23 VAL 2 2HG2 VAL 2 -20.550 -10.929 7.436 21 H GLN 3 H GLN 3 -17.792 -9.603 4.088 22 HA GLN 3 HA GLN 3 -15.683 -9.619 4.755 23 HB2 GLN 3 1HB GLN 3 -14.672 -7.853 3.493 24 HB3 GLN 3 2HB GLN 3 -16.088 -8.437 2.657 25 HG2 GLN 3 1HG GLN 3 -17.396 -6.477 3.376 26 HG3 GLN 3 2HG GLN 3 -16.047 -5.896 4.353 27 HE21 GLN 3 1HE2 GLN 3 -15.038 -4.179 3.334 28 HE22 GLN 3 2HE2 GLN 3 -14.889 -4.108 1.560 29 H ASN 4 H ASN 4 -16.968 -9.147 7.047 30 HA ASN 4 HA ASN 4 -15.924 -6.882 8.531 31 HB2 ASN 4 1HB ASN 4 -17.119 -7.840 10.387 32 HB3 ASN 4 2HB ASN 4 -18.140 -7.980 8.956 33 HD21 ASN 4 1HD2 ASN 4 -17.420 -9.619 11.670 34 HD22 ASN 4 2HD2 ASN 4 -17.535 -11.258 11.019 35 H ASP 5 H ASP 5 -14.754 -10.107 7.831 36 HA ASP 5 HA ASP 5 -12.709 -10.167 9.909 37 HB2 ASP 5 1HB ASP 5 -12.281 -12.338 8.967 38 HB3 ASP 5 2HB ASP 5 -14.020 -12.172 9.152 39 H PHE 6 H PHE 6 -13.076 -8.316 7.255 40 HA PHE 6 HA PHE 6 -11.782 -7.193 5.830 41 HB2 PHE 6 1HB PHE 6 -10.204 -7.331 7.974 42 HB3 PHE 6 2HB PHE 6 -9.197 -8.259 6.883 43 HD1 PHE 6 2HD PHE 6 -10.791 -4.977 7.547 44 HD2 PHE 6 1HD PHE 6 -8.056 -7.148 5.056 45 HE1 PHE 6 2HE PHE 6 -9.868 -2.828 6.705 46 HE2 PHE 6 1HE PHE 6 -7.142 -4.997 4.168 47 HZ PHE 6 HZ PHE 6 -8.023 -2.842 5.019 48 H VAL 7 H VAL 7 -12.272 -10.304 5.715 49 HA VAL 7 HA VAL 7 -12.247 -11.937 4.307 50 HB VAL 7 HB VAL 7 -13.557 -9.984 3.441 51 HG11 VAL 7 1HG1 VAL 7 -12.219 -8.529 2.292 52 HG12 VAL 7 2HG1 VAL 7 -11.279 -9.771 1.498 53 HG13 VAL 7 3HG1 VAL 7 -12.915 -9.438 0.972 54 HG21 VAL 7 3HG2 VAL 7 -13.064 -12.006 1.270 55 HG22 VAL 7 1HG2 VAL 7 -13.870 -12.404 2.819 56 HG23 VAL 7 2HG2 VAL 7 -14.546 -11.171 1.754 57 H ASP 8 H ASP 8 -11.532 -12.552 1.865 58 HA ASP 8 HA ASP 8 -8.569 -12.852 1.967 59 HB2 ASP 8 1HB ASP 8 -9.792 -14.888 2.543 60 HB3 ASP 8 2HB ASP 8 -10.695 -14.827 1.018 61 H SER 9 H SER 9 -7.787 -13.617 -0.157 62 HA SER 9 HA SER 9 -7.221 -13.034 -2.452 63 HB2 SER 9 1HB SER 9 -9.792 -12.730 -2.789 64 HB3 SER 9 2HB SER 9 -9.375 -11.007 -2.719 65 HG SER 9 HG SER 9 -9.240 -12.156 -4.818 66 H TYR 10 H TYR 10 -7.465 -10.326 -3.216 67 HA TYR 10 HA TYR 10 -5.552 -9.040 -1.254 68 HB2 TYR 10 1HB TYR 10 -6.106 -8.439 -4.219 69 HB3 TYR 10 2HB TYR 10 -5.104 -7.441 -3.205 70 HD1 TYR 10 2HD TYR 10 -5.361 -11.023 -4.384 71 HD2 TYR 10 1HD TYR 10 -2.832 -7.780 -3.101 72 HE1 TYR 10 2HE TYR 10 -3.335 -12.419 -4.811 73 HE2 TYR 10 1HE TYR 10 -0.822 -9.156 -3.549 74 HH TYR 10 HH TYR 10 -0.052 -11.299 -3.890 75 H ASP 11 H ASP 11 -5.618 -6.729 -1.145 76 HA ASP 11 HA ASP 11 -8.255 -5.370 -0.997 77 HB2 ASP 11 1HB ASP 11 -7.656 -6.058 1.213 78 HB3 ASP 11 2HB ASP 11 -5.966 -5.596 0.983 79 H VAL 12 H VAL 12 -8.266 -3.503 -2.087 80 HA VAL 12 HA VAL 12 -5.694 -2.244 -2.897 81 HB VAL 12 HB VAL 12 -8.270 -2.467 -4.504 82 HG11 VAL 12 1HG1 VAL 12 -5.564 -1.184 -5.088 83 HG12 VAL 12 2HG1 VAL 12 -6.794 -1.516 -6.313 84 HG13 VAL 12 3HG1 VAL 12 -7.143 -0.368 -5.011 85 HG21 VAL 12 3HG2 VAL 12 -6.990 -3.871 -6.018 86 HG22 VAL 12 1HG2 VAL 12 -5.550 -3.688 -4.988 87 HG23 VAL 12 2HG2 VAL 12 -6.952 -4.605 -4.410 88 H THR 13 H THR 13 -5.431 -0.302 -2.215 89 HA THR 13 HA THR 13 -7.769 1.380 -1.341 90 HB THR 13 HB THR 13 -5.066 1.016 -0.007 91 HG1 THR 13 1HG THR 13 -6.236 -0.644 0.671 92 HG21 THR 13 3HG2 THR 13 -7.215 3.063 0.338 93 HG22 THR 13 1HG2 THR 13 -6.544 2.350 1.797 94 HG23 THR 13 2HG2 THR 13 -5.479 3.150 0.672 95 H MET 14 H MET 14 -7.928 2.912 -2.925 96 HA MET 14 HA MET 14 -5.356 3.897 -4.115 97 HB2 MET 14 1HB MET 14 -6.625 2.075 -5.408 98 HB3 MET 14 2HB MET 14 -7.815 3.328 -5.780 99 HG2 MET 14 1HG MET 14 -5.989 4.715 -6.767 100 HG3 MET 14 2HG MET 14 -4.824 3.462 -6.371 101 HE1 MET 14 3HE MET 14 -5.945 0.574 -8.871 102 HE2 MET 14 1HE MET 14 -4.821 1.011 -7.567 103 HE3 MET 14 2HE MET 14 -6.546 0.780 -7.217 104 H LEU 15 H LEU 15 -5.233 5.884 -4.939 105 HA LEU 15 HA LEU 15 -7.403 7.787 -4.360 106 HB2 LEU 15 1HB LEU 15 -5.409 7.427 -2.654 107 HB3 LEU 15 2HB LEU 15 -4.511 8.424 -3.791 108 HG LEU 15 HG LEU 15 -7.154 9.193 -2.494 109 HD11 LEU 15 1HD1 LEU 15 -4.300 10.043 -1.852 110 HD12 LEU 15 2HD1 LEU 15 -5.769 10.671 -1.077 111 HD13 LEU 15 3HD1 LEU 15 -5.315 8.975 -0.854 112 HD21 LEU 15 3HD2 LEU 15 -5.179 10.868 -4.095 113 HD22 LEU 15 1HD2 LEU 15 -6.856 10.474 -4.550 114 HD23 LEU 15 2HD2 LEU 15 -6.535 11.497 -3.150 115 H LEU 16 H LEU 16 -7.971 8.600 -6.240 116 HA LEU 16 HA LEU 16 -5.863 9.270 -8.261 117 HB2 LEU 16 1HB LEU 16 -8.803 8.912 -8.874 118 HB3 LEU 16 2HB LEU 16 -7.468 9.172 -9.972 119 HG LEU 16 HG LEU 16 -8.130 7.024 -10.344 120 HD11 LEU 16 1HD1 LEU 16 -5.721 7.233 -10.230 121 HD12 LEU 16 2HD1 LEU 16 -5.737 6.683 -8.525 122 HD13 LEU 16 3HD1 LEU 16 -6.268 5.604 -9.836 123 HD21 LEU 16 3HD2 LEU 16 -8.533 5.289 -8.795 124 HD22 LEU 16 1HD2 LEU 16 -8.014 6.286 -7.419 125 HD23 LEU 16 2HD2 LEU 16 -9.485 6.708 -8.335 126 H GLN 17 H GLN 17 -6.278 11.173 -9.500 127 HA GLN 17 HA GLN 17 -7.787 13.303 -8.075 128 HB2 GLN 17 1HB GLN 17 -5.394 13.667 -8.394 129 HB3 GLN 17 2HB GLN 17 -5.587 13.535 -10.148 130 HG2 GLN 17 1HG GLN 17 -6.951 15.522 -10.228 131 HG3 GLN 17 2HG GLN 17 -7.172 15.535 -8.472 132 HE21 GLN 17 1HE2 GLN 17 -4.970 16.356 -11.103 133 HE22 GLN 17 2HE2 GLN 17 -3.816 17.170 -10.033 134 H ASP 18 H ASP 18 -9.608 14.053 -8.855 135 HA ASP 18 HA ASP 18 -10.764 13.083 -11.344 136 HB2 ASP 18 1HB ASP 18 -12.773 14.197 -10.367 137 HB3 ASP 18 2HB ASP 18 -12.095 12.954 -9.333 138 H ASP 19 H ASP 19 -12.210 14.851 -12.420 139 HA ASP 19 HA ASP 19 -10.418 16.607 -13.759 140 HB2 ASP 19 1HB ASP 19 -12.319 17.216 -15.074 141 HB3 ASP 19 2HB ASP 19 -12.401 15.483 -14.765 142 H ASP 20 H ASP 20 -12.454 17.188 -10.968 143 HA ASP 20 HA ASP 20 -12.143 20.129 -11.150 144 HB2 ASP 20 1HB ASP 20 -13.361 18.324 -9.024 145 HB3 ASP 20 2HB ASP 20 -13.292 20.086 -8.922 146 H GLY 21 H GLY 21 -10.091 17.595 -10.231 147 HA2 GLY 21 1HA GLY 21 -8.010 17.655 -9.276 148 HA3 GLY 21 2HA GLY 21 -8.170 19.399 -9.074 149 H LYS 22 H LYS 22 -10.527 17.210 -7.608 150 HA LYS 22 HA LYS 22 -9.895 18.435 -4.959 151 HB2 LYS 22 1HB LYS 22 -12.250 16.803 -6.006 152 HB3 LYS 22 2HB LYS 22 -12.083 17.337 -4.327 153 HG2 LYS 22 1HG LYS 22 -11.959 19.702 -5.076 154 HG3 LYS 22 2HG LYS 22 -12.161 19.183 -6.762 155 HD2 LYS 22 1HD LYS 22 -14.346 18.159 -6.191 156 HD3 LYS 22 2HD LYS 22 -14.147 18.710 -4.502 157 HE2 LYS 22 1HE LYS 22 -14.028 21.047 -5.250 158 HE3 LYS 22 2HE LYS 22 -14.173 20.545 -6.949 159 HZ1 LYS 22 3HZ LYS 22 -16.278 21.249 -5.646 160 HZ2 LYS 22 1HZ LYS 22 -16.359 19.952 -6.648 161 HZ3 LYS 22 2HZ LYS 22 -16.230 19.730 -5.031 162 H GLN 23 H GLN 23 -9.849 15.420 -6.610 163 HA GLN 23 HA GLN 23 -8.782 13.475 -6.288 164 HB2 GLN 23 1HB GLN 23 -7.689 14.489 -3.640 165 HB3 GLN 23 2HB GLN 23 -7.211 13.040 -4.521 166 HG2 GLN 23 1HG GLN 23 -6.432 14.385 -6.409 167 HG3 GLN 23 2HG GLN 23 -6.863 15.876 -5.560 168 HE21 GLN 23 1HE2 GLN 23 -4.358 15.864 -6.381 169 HE22 GLN 23 2HE2 GLN 23 -3.288 15.477 -5.003 170 H TYR 24 H TYR 24 -9.253 11.460 -5.509 171 HA TYR 24 HA TYR 24 -11.140 11.326 -3.228 172 HB2 TYR 24 1HB TYR 24 -12.794 10.108 -4.416 173 HB3 TYR 24 2HB TYR 24 -12.535 11.648 -5.201 174 HD1 TYR 24 1HD TYR 24 -11.201 11.727 -7.391 175 HD2 TYR 24 2HD TYR 24 -12.543 8.044 -5.594 176 HE1 TYR 24 1HE TYR 24 -11.023 10.585 -9.601 177 HE2 TYR 24 2HE TYR 24 -12.359 6.909 -7.809 178 HH TYR 24 HH TYR 24 -11.504 8.654 -10.854 179 H TYR 25 H TYR 25 -11.052 9.643 -2.055 180 HA TYR 25 HA TYR 25 -8.968 7.577 -2.516 181 HB2 TYR 25 1HB TYR 25 -8.562 9.306 -0.756 182 HB3 TYR 25 2HB TYR 25 -10.107 8.932 -0.034 183 HD1 TYR 25 1HD TYR 25 -7.061 6.974 -1.124 184 HD2 TYR 25 2HD TYR 25 -9.988 7.750 1.941 185 HE1 TYR 25 1HE TYR 25 -5.794 5.522 0.461 186 HE2 TYR 25 2HE TYR 25 -8.751 6.282 3.507 187 HH TYR 25 HH TYR 25 -6.936 4.958 3.804 188 H GLU 26 H GLU 26 -9.629 5.452 -2.452 189 HA GLU 26 HA GLU 26 -12.141 4.795 -1.042 190 HB2 GLU 26 1HB GLU 26 -12.739 5.524 -3.389 191 HB3 GLU 26 2HB GLU 26 -11.761 4.194 -4.005 192 HG2 GLU 26 1HG GLU 26 -14.132 3.619 -4.021 193 HG3 GLU 26 2HG GLU 26 -13.271 2.571 -2.905 194 H TYR 27 H TYR 27 -12.405 2.761 -0.441 195 HA TYR 27 HA TYR 27 -10.058 0.908 -0.564 196 HB2 TYR 27 1HB TYR 27 -12.618 0.825 1.080 197 HB3 TYR 27 2HB TYR 27 -11.280 -0.302 1.210 198 HD1 TYR 27 2HD TYR 27 -8.901 0.839 1.715 199 HD2 TYR 27 1HD TYR 27 -12.740 2.554 2.637 200 HE1 TYR 27 2HE TYR 27 -7.868 2.180 3.553 201 HE2 TYR 27 1HE TYR 27 -11.717 3.887 4.458 202 HH TYR 27 HH TYR 27 -9.795 4.300 5.642 203 H HIS 28 H HIS 28 -10.175 -0.964 -1.673 204 HA HIS 28 HA HIS 28 -12.782 -2.114 -2.566 205 HB2 HIS 28 1HB HIS 28 -10.326 -1.660 -4.316 206 HB3 HIS 28 2HB HIS 28 -11.831 -2.430 -4.795 207 HD1 HIS 28 1HD HIS 28 -13.918 -0.784 -5.244 208 HD2 HIS 28 2HD HIS 28 -10.179 0.960 -4.375 209 HE1 HIS 28 1HE HIS 28 -14.026 1.645 -6.126 210 HE2 HIS 28 2HE HIS 28 -11.736 2.700 -5.587 211 H LYS 29 H LYS 29 -12.637 -3.995 -1.260 212 HA LYS 29 HA LYS 29 -10.198 -5.667 -1.700 213 HB2 LYS 29 1HB LYS 29 -10.030 -6.260 0.538 214 HB3 LYS 29 2HB LYS 29 -10.279 -4.515 0.497 215 HG2 LYS 29 1HG LYS 29 -12.662 -4.825 1.137 216 HG3 LYS 29 2HG LYS 29 -12.413 -6.570 1.141 217 HD2 LYS 29 1HD LYS 29 -12.093 -6.252 3.357 218 HD3 LYS 29 2HD LYS 29 -10.433 -5.945 2.871 219 HE2 LYS 29 1HE LYS 29 -12.620 -3.891 3.446 220 HE3 LYS 29 2HE LYS 29 -11.258 -4.299 4.499 221 HZ1 LYS 29 3HZ LYS 29 -11.218 -2.288 2.659 222 HZ2 LYS 29 1HZ LYS 29 -9.889 -2.991 3.348 223 HZ3 LYS 29 2HZ LYS 29 -10.284 -3.489 1.956 224 H GLY 30 H GLY 30 -10.432 -7.914 -1.050 225 HA2 GLY 30 1HA GLY 30 -11.499 -9.975 -1.274 226 HA3 GLY 30 2HA GLY 30 -13.044 -9.165 -1.403 227 H LEU 31 H LEU 31 -10.194 -8.480 -3.347 228 HA LEU 31 HA LEU 31 -11.261 -9.792 -5.737 229 HB2 LEU 31 1HB LEU 31 -11.071 -7.729 -7.077 230 HB3 LEU 31 2HB LEU 31 -12.348 -7.709 -5.897 231 HG LEU 31 HG LEU 31 -10.989 -6.239 -4.409 232 HD11 LEU 31 1HD1 LEU 31 -9.105 -4.999 -5.300 233 HD12 LEU 31 2HD1 LEU 31 -8.668 -6.690 -5.225 234 HD13 LEU 31 3HD1 LEU 31 -9.094 -5.964 -6.783 235 HD21 LEU 31 3HD2 LEU 31 -12.660 -5.350 -5.990 236 HD22 LEU 31 1HD2 LEU 31 -11.289 -4.242 -5.806 237 HD23 LEU 31 2HD2 LEU 31 -11.417 -5.244 -7.257 238 H SER 32 H SER 32 -9.541 -9.433 -7.595 239 HA SER 32 HA SER 32 -7.069 -10.400 -6.249 240 HB2 SER 32 1HB SER 32 -6.988 -12.037 -7.926 241 HB3 SER 32 2HB SER 32 -8.675 -11.963 -7.418 242 HG SER 32 HG SER 32 -9.302 -11.117 -9.322 243 H LEU 33 H LEU 33 -5.227 -10.646 -8.015 244 HA LEU 33 HA LEU 33 -4.192 -8.068 -8.593 245 HB2 LEU 33 1HB LEU 33 -3.517 -10.823 -9.693 246 HB3 LEU 33 2HB LEU 33 -2.568 -9.384 -10.043 247 HG LEU 33 HG LEU 33 -3.036 -10.548 -7.265 248 HD11 LEU 33 1HD1 LEU 33 -1.585 -11.930 -8.712 249 HD12 LEU 33 2HD1 LEU 33 -0.539 -10.520 -8.999 250 HD13 LEU 33 3HD1 LEU 33 -0.696 -11.211 -7.361 251 HD21 LEU 33 3HD2 LEU 33 -1.979 -7.935 -8.132 252 HD22 LEU 33 1HD2 LEU 33 -2.455 -8.500 -6.532 253 HD23 LEU 33 2HD2 LEU 33 -0.847 -8.821 -7.145 254 H SER 34 H SER 34 -6.019 -10.320 -10.737 255 HA SER 34 HA SER 34 -5.831 -8.748 -13.101 256 HB2 SER 34 1HB SER 34 -7.948 -10.717 -12.138 257 HB3 SER 34 2HB SER 34 -7.770 -10.135 -13.799 258 HG SER 34 HG SER 34 -5.962 -11.287 -14.033 259 H ASP 35 H ASP 35 -7.948 -8.529 -10.286 260 HA ASP 35 HA ASP 35 -9.882 -6.701 -11.551 261 HB2 ASP 35 1HB ASP 35 -9.490 -7.496 -8.654 262 HB3 ASP 35 2HB ASP 35 -10.909 -6.702 -9.330 263 H PHE 36 H PHE 36 -7.133 -6.562 -9.309 264 HA PHE 36 HA PHE 36 -7.052 -3.738 -8.832 265 HB2 PHE 36 1HB PHE 36 -5.664 -5.128 -7.518 266 HB3 PHE 36 2HB PHE 36 -5.019 -5.976 -8.897 267 HD1 PHE 36 2HD PHE 36 -5.032 -2.634 -7.253 268 HD2 PHE 36 1HD PHE 36 -3.019 -5.285 -9.983 269 HE1 PHE 36 2HE PHE 36 -3.117 -1.090 -7.320 270 HE2 PHE 36 1HE PHE 36 -1.106 -3.714 -10.102 271 HZ PHE 36 HZ PHE 36 -1.146 -1.604 -8.777 272 H GLU 37 H GLU 37 -5.561 -5.716 -11.496 273 HA GLU 37 HA GLU 37 -4.510 -3.557 -12.976 274 HB2 GLU 37 1HB GLU 37 -5.488 -6.332 -13.696 275 HB3 GLU 37 2HB GLU 37 -4.892 -5.223 -14.932 276 HG2 GLU 37 1HG GLU 37 -2.743 -5.019 -13.888 277 HG3 GLU 37 2HG GLU 37 -3.300 -5.827 -12.425 278 H VAL 38 H VAL 38 -7.873 -4.673 -12.816 279 HA VAL 38 HA VAL 38 -8.771 -2.961 -15.006 280 HB VAL 38 HB VAL 38 -10.346 -4.176 -12.708 281 HG11 VAL 38 1HG1 VAL 38 -12.339 -3.673 -14.068 282 HG12 VAL 38 2HG1 VAL 38 -11.522 -2.203 -13.534 283 HG13 VAL 38 3HG1 VAL 38 -11.320 -2.760 -15.213 284 HG21 VAL 38 3HG2 VAL 38 -11.015 -5.266 -15.275 285 HG22 VAL 38 1HG2 VAL 38 -9.276 -5.340 -15.119 286 HG23 VAL 38 2HG2 VAL 38 -10.290 -6.073 -13.897 287 H LEU 39 H LEU 39 -8.858 -2.589 -11.396 288 HA LEU 39 HA LEU 39 -9.924 0.045 -11.516 289 HB2 LEU 39 1HB LEU 39 -9.921 -1.425 -9.524 290 HB3 LEU 39 2HB LEU 39 -8.175 -1.227 -9.385 291 HG LEU 39 HG LEU 39 -8.480 1.207 -8.948 292 HD11 LEU 39 1HD1 LEU 39 -11.465 0.570 -8.995 293 HD12 LEU 39 2HD1 LEU 39 -10.734 2.090 -8.418 294 HD13 LEU 39 3HD1 LEU 39 -10.615 1.648 -10.118 295 HD21 LEU 39 3HD2 LEU 39 -9.307 0.941 -6.710 296 HD22 LEU 39 1HD2 LEU 39 -10.264 -0.500 -7.170 297 HD23 LEU 39 2HD2 LEU 39 -8.505 -0.569 -7.159 298 H TYR 40 H TYR 40 -6.506 -0.990 -11.395 299 HA TYR 40 HA TYR 40 -5.402 1.694 -11.449 300 HB2 TYR 40 1HB TYR 40 -4.093 -0.092 -10.552 301 HB3 TYR 40 2HB TYR 40 -4.319 -1.085 -11.981 302 HD1 TYR 40 1HD TYR 40 -2.892 2.282 -11.040 303 HD2 TYR 40 2HD TYR 40 -2.618 -1.205 -13.563 304 HE1 TYR 40 1HE TYR 40 -0.826 3.200 -12.102 305 HE2 TYR 40 2HE TYR 40 -0.577 -0.276 -14.634 306 HH TYR 40 HH TYR 40 0.747 1.570 -14.858 307 H GLY 41 H GLY 41 -6.253 -0.662 -14.060 308 HA2 GLY 41 1HA GLY 41 -4.889 1.015 -16.051 309 HA3 GLY 41 2HA GLY 41 -5.586 -0.585 -16.272 310 H ASN 42 H ASN 42 -8.239 0.458 -15.092 311 HA ASN 42 HA ASN 42 -9.251 1.419 -17.705 312 HB2 ASN 42 1HB ASN 42 -9.992 -0.714 -16.453 313 HB3 ASN 42 2HB ASN 42 -10.824 0.365 -15.328 314 HD21 ASN 42 1HD2 ASN 42 -12.854 1.216 -15.981 315 HD22 ASN 42 2HD2 ASN 42 -13.459 0.900 -17.614 316 H THR 43 H THR 43 -8.978 2.539 -14.404 317 HA THR 43 HA THR 43 -11.237 4.239 -14.302 318 HB THR 43 HB THR 43 -8.633 4.375 -12.736 319 HG1 THR 43 1HG THR 43 -9.451 2.847 -11.539 320 HG21 THR 43 3HG2 THR 43 -9.938 6.403 -12.296 321 HG22 THR 43 1HG2 THR 43 -11.411 5.442 -12.063 322 HG23 THR 43 2HG2 THR 43 -10.064 5.308 -10.917 323 H ALA 44 H ALA 44 -8.006 4.864 -15.455 324 HA ALA 44 HA ALA 44 -6.951 6.530 -16.495 325 HB1 ALA 44 3HB ALA 44 -8.691 5.879 -18.128 326 HB2 ALA 44 1HB ALA 44 -9.679 7.235 -17.577 327 HB3 ALA 44 2HB ALA 44 -8.114 7.530 -18.332 328 H ASP 45 H ASP 45 -8.848 7.535 -13.966 329 HA ASP 45 HA ASP 45 -8.097 10.366 -14.031 330 HB2 ASP 45 1HB ASP 45 -9.013 8.509 -11.829 331 HB3 ASP 45 2HB ASP 45 -8.559 10.190 -11.562 332 H GLU 46 H GLU 46 -6.373 11.325 -12.923 333 HA GLU 46 HA GLU 46 -3.906 9.876 -13.177 334 HB2 GLU 46 1HB GLU 46 -4.602 12.607 -12.050 335 HB3 GLU 46 2HB GLU 46 -2.972 11.952 -11.966 336 HG2 GLU 46 1HG GLU 46 -3.004 13.303 -13.890 337 HG3 GLU 46 2HG GLU 46 -2.987 11.635 -14.462 338 H ILE 47 H ILE 47 -3.165 8.385 -11.856 339 HA ILE 47 HA ILE 47 -3.984 8.107 -9.121 340 HB ILE 47 HB ILE 47 -3.518 6.205 -10.434 341 HG12 ILE 47 1HG1 ILE 47 -3.136 6.173 -7.956 342 HG13 ILE 47 2HG1 ILE 47 -2.486 4.854 -8.903 343 HG21 ILE 47 1HG2 ILE 47 -0.656 7.133 -10.765 344 HG22 ILE 47 2HG2 ILE 47 -1.262 5.501 -11.128 345 HG23 ILE 47 3HG2 ILE 47 -1.883 6.893 -12.017 346 HD11 ILE 47 3HD1 ILE 47 -1.100 6.267 -6.974 347 HD12 ILE 47 1HD1 ILE 47 -0.401 5.224 -8.184 348 HD13 ILE 47 2HD1 ILE 47 -0.476 6.945 -8.453 349 H ILE 48 H ILE 48 -3.272 8.801 -7.366 350 HA ILE 48 HA ILE 48 -0.860 10.540 -7.194 351 HB ILE 48 HB ILE 48 -3.439 10.611 -5.584 352 HG12 ILE 48 1HG1 ILE 48 -4.038 11.408 -7.747 353 HG13 ILE 48 2HG1 ILE 48 -3.926 12.761 -6.658 354 HG21 ILE 48 1HG2 ILE 48 -2.567 12.788 -4.732 355 HG22 ILE 48 2HG2 ILE 48 -1.582 11.407 -4.246 356 HG23 ILE 48 3HG2 ILE 48 -1.019 12.458 -5.550 357 HD11 ILE 48 3HD1 ILE 48 -1.413 12.857 -7.747 358 HD12 ILE 48 1HD1 ILE 48 -2.314 12.151 -9.074 359 HD13 ILE 48 2HD1 ILE 48 -2.801 13.699 -8.403 360 H LYS 49 H LYS 49 -2.977 8.219 -5.394 361 HA LYS 49 HA LYS 49 -0.521 6.964 -4.350 362 HB2 LYS 49 1HB LYS 49 -2.822 7.638 -2.468 363 HB3 LYS 49 2HB LYS 49 -1.379 6.697 -2.089 364 HG2 LYS 49 1HG LYS 49 0.014 8.730 -2.640 365 HG3 LYS 49 2HG LYS 49 -1.499 9.653 -2.768 366 HD2 LYS 49 1HD LYS 49 -2.072 8.996 -0.437 367 HD3 LYS 49 2HD LYS 49 -0.506 8.169 -0.288 368 HE2 LYS 49 1HE LYS 49 -0.888 11.114 -0.988 369 HE3 LYS 49 2HE LYS 49 -0.589 10.529 0.653 370 HZ1 LYS 49 3HZ LYS 49 1.598 10.022 0.132 371 HZ2 LYS 49 1HZ LYS 49 1.373 9.757 -1.441 372 HZ3 LYS 49 2HZ LYS 49 1.390 11.281 -0.906 373 H LEU 50 H LEU 50 -0.710 4.843 -3.870 374 HA LEU 50 HA LEU 50 -3.233 3.350 -4.227 375 HB2 LEU 50 1HB LEU 50 -2.402 3.777 -6.453 376 HB3 LEU 50 2HB LEU 50 -0.781 3.298 -6.025 377 HG LEU 50 HG LEU 50 -3.135 1.367 -6.043 378 HD11 LEU 50 1HD1 LEU 50 -2.414 0.745 -8.312 379 HD12 LEU 50 2HD1 LEU 50 -2.782 2.467 -8.262 380 HD13 LEU 50 3HD1 LEU 50 -1.089 1.913 -8.233 381 HD21 LEU 50 3HD2 LEU 50 -0.858 -0.063 -6.698 382 HD22 LEU 50 1HD2 LEU 50 -0.233 1.041 -5.508 383 HD23 LEU 50 2HD2 LEU 50 -1.577 -0.017 -5.115 384 H ARG 51 H ARG 51 -3.267 1.761 -2.847 385 HA ARG 51 HA ARG 51 -0.787 0.270 -2.154 386 HB2 ARG 51 1HB ARG 51 -3.031 1.252 -0.411 387 HB3 ARG 51 2HB ARG 51 -2.384 -0.341 -0.059 388 HG2 ARG 51 1HG ARG 51 -0.588 2.099 -0.324 389 HG3 ARG 51 2HG ARG 51 -1.411 1.710 1.185 390 HD2 ARG 51 1HD ARG 51 0.472 -0.200 -0.256 391 HD3 ARG 51 2HD ARG 51 0.955 0.861 1.055 392 HE ARG 51 HE ARG 51 -0.809 -1.558 1.266 393 HH11 ARG 51 2HH2 ARG 51 0.339 1.234 3.045 394 HH12 ARG 51 1HH2 ARG 51 -0.011 0.486 4.582 395 HH21 ARG 51 2HH1 ARG 51 -0.991 -2.521 3.131 396 HH22 ARG 51 1HH1 ARG 51 -0.900 -1.595 4.633 397 H LEU 52 H LEU 52 -0.917 -1.829 -2.329 398 HA LEU 52 HA LEU 52 -3.478 -3.244 -2.793 399 HB2 LEU 52 1HB LEU 52 -2.575 -3.021 -5.028 400 HB3 LEU 52 2HB LEU 52 -0.955 -3.329 -4.435 401 HG LEU 52 HG LEU 52 -1.668 -5.718 -3.889 402 HD11 LEU 52 1HD1 LEU 52 -3.614 -6.601 -5.122 403 HD12 LEU 52 2HD1 LEU 52 -4.138 -5.355 -3.964 404 HD13 LEU 52 3HD1 LEU 52 -3.993 -4.978 -5.705 405 HD21 LEU 52 3HD2 LEU 52 -0.383 -4.936 -5.941 406 HD22 LEU 52 1HD2 LEU 52 -1.212 -6.458 -6.073 407 HD23 LEU 52 2HD2 LEU 52 -1.891 -5.022 -6.817 408 H ASP 53 H ASP 53 -3.579 -4.795 -1.257 409 HA ASP 53 HA ASP 53 -1.062 -5.966 -0.099 410 HB2 ASP 53 1HB ASP 53 -3.575 -4.969 1.308 411 HB3 ASP 53 2HB ASP 53 -2.419 -6.065 2.049 412 H LYS 54 H LYS 54 -1.073 -8.209 -0.313 413 HA LYS 54 HA LYS 54 -3.504 -9.723 -0.935 414 HB2 LYS 54 1HB LYS 54 -1.077 -10.453 -1.339 415 HB3 LYS 54 2HB LYS 54 -0.982 -10.638 0.411 416 HG2 LYS 54 1HG LYS 54 -2.896 -12.261 0.322 417 HG3 LYS 54 2HG LYS 54 -2.892 -12.111 -1.450 418 HD2 LYS 54 1HD LYS 54 -0.488 -12.839 -1.457 419 HD3 LYS 54 2HD LYS 54 -0.572 -13.073 0.296 420 HE2 LYS 54 1HE LYS 54 -2.246 -14.535 -1.790 421 HE3 LYS 54 2HE LYS 54 -0.817 -15.178 -0.970 422 HZ1 LYS 54 3HZ LYS 54 -2.135 -14.723 1.184 423 HZ2 LYS 54 1HZ LYS 54 -3.429 -14.526 0.271 424 HZ3 LYS 54 2HZ LYS 54 -2.670 -15.985 0.253 425 H VAL 55 H VAL 55 -5.115 -10.182 0.501 426 HA VAL 55 HA VAL 55 -4.637 -9.556 3.362 427 HB VAL 55 HB VAL 55 -7.100 -9.931 3.549 428 HG11 VAL 55 1HG1 VAL 55 -7.453 -7.531 2.953 429 HG12 VAL 55 2HG1 VAL 55 -5.968 -7.818 3.880 430 HG13 VAL 55 3HG1 VAL 55 -5.877 -7.558 2.128 431 HG21 VAL 55 3HG2 VAL 55 -8.529 -9.323 1.699 432 HG22 VAL 55 1HG2 VAL 55 -7.132 -9.192 0.617 433 HG23 VAL 55 2HG2 VAL 55 -7.615 -10.775 1.278 434 H LEU 56 H LEU 56 -3.776 -10.960 4.304 435 HA LEU 56 HA LEU 56 -2.619 -12.813 4.783 436 HB2 LEU 56 1HB LEU 56 -4.568 -12.799 6.330 437 HB3 LEU 56 2HB LEU 56 -5.418 -13.895 5.257 438 HG LEU 56 HG LEU 56 -3.555 -15.586 5.617 439 HD11 LEU 56 1HD1 LEU 56 -1.748 -14.053 6.329 440 HD12 LEU 56 2HD1 LEU 56 -2.703 -13.564 7.747 441 HD13 LEU 56 3HD1 LEU 56 -2.088 -15.226 7.599 442 HD21 LEU 56 3HD2 LEU 56 -4.322 -16.200 7.872 443 HD22 LEU 56 1HD2 LEU 56 -5.003 -14.573 8.099 444 HD23 LEU 56 2HD2 LEU 56 -5.679 -15.666 6.872 445 H1 MET 1 1H MET 1 14.525 6.331 -10.924 446 H2 MET 1 2H MET 1 15.782 5.982 -9.908 447 H3 MET 1 3H MET 1 14.238 6.094 -9.336 448 HA MET 1 HA MET 1 13.548 4.223 -10.633 449 HB2 MET 1 1HB MET 1 15.431 4.508 -12.344 450 HB3 MET 1 2HB MET 1 16.482 3.681 -11.190 451 HG2 MET 1 1HG MET 1 15.558 2.081 -12.786 452 HG3 MET 1 2HG MET 1 14.919 1.742 -11.175 453 HE1 MET 1 3HE MET 1 12.165 0.693 -13.734 454 HE2 MET 1 1HE MET 1 13.834 0.312 -13.252 455 HE3 MET 1 2HE MET 1 12.537 0.345 -12.029 456 H VAL 2 H VAL 2 16.695 4.206 -8.795 457 HA VAL 2 HA VAL 2 15.655 1.970 -7.168 458 HB VAL 2 HB VAL 2 17.935 1.825 -6.300 459 HG11 VAL 2 1HG1 VAL 2 17.215 0.586 -8.344 460 HG12 VAL 2 2HG1 VAL 2 17.958 1.856 -9.333 461 HG13 VAL 2 3HG1 VAL 2 18.952 0.878 -8.244 462 HG21 VAL 2 3HG2 VAL 2 19.782 3.093 -7.188 463 HG22 VAL 2 1HG2 VAL 2 18.734 3.982 -8.298 464 HG23 VAL 2 2HG2 VAL 2 18.601 4.231 -6.550 465 H GLN 3 H GLN 3 16.460 2.109 -4.834 466 HA GLN 3 HA GLN 3 15.345 4.398 -3.437 467 HB2 GLN 3 1HB GLN 3 15.148 2.164 -2.539 468 HB3 GLN 3 2HB GLN 3 16.887 1.896 -2.623 469 HG2 GLN 3 1HG GLN 3 16.091 2.327 -0.321 470 HG3 GLN 3 2HG GLN 3 17.297 3.505 -0.845 471 HE21 GLN 3 1HE2 GLN 3 16.686 5.389 0.354 472 HE22 GLN 3 2HE2 GLN 3 15.043 6.003 0.282 473 H ASN 4 H ASN 4 16.438 6.248 -3.795 474 HA ASN 4 HA ASN 4 19.284 6.361 -2.845 475 HB2 ASN 4 1HB ASN 4 17.795 8.247 -4.745 476 HB3 ASN 4 2HB ASN 4 19.388 8.564 -4.060 477 HD21 ASN 4 1HD2 ASN 4 21.033 6.615 -4.489 478 HD22 ASN 4 2HD2 ASN 4 20.910 6.036 -6.153 479 H ASP 5 H ASP 5 16.712 8.730 -3.197 480 HA ASP 5 HA ASP 5 15.977 8.621 -0.383 481 HB2 ASP 5 1HB ASP 5 17.612 10.553 -0.694 482 HB3 ASP 5 2HB ASP 5 16.485 11.238 -1.870 483 H PHE 6 H PHE 6 13.889 10.353 -0.500 484 HA PHE 6 HA PHE 6 12.001 9.521 -2.588 485 HB2 PHE 6 1HB PHE 6 11.962 11.627 -0.425 486 HB3 PHE 6 2HB PHE 6 10.720 11.543 -1.667 487 HD1 PHE 6 2HD PHE 6 12.344 9.473 1.017 488 HD2 PHE 6 1HD PHE 6 8.940 10.025 -1.569 489 HE1 PHE 6 2HE PHE 6 11.116 7.711 2.257 490 HE2 PHE 6 1HE PHE 6 7.698 8.307 -0.305 491 HZ PHE 6 HZ PHE 6 8.773 7.140 1.615 492 H VAL 7 H VAL 7 13.669 9.810 -4.181 493 HA VAL 7 HA VAL 7 14.112 12.375 -5.461 494 HB VAL 7 HB VAL 7 14.062 9.529 -6.575 495 HG11 VAL 7 1HG1 VAL 7 13.814 11.171 -8.418 496 HG12 VAL 7 2HG1 VAL 7 15.214 12.077 -7.802 497 HG13 VAL 7 3HG1 VAL 7 15.415 10.432 -8.442 498 HG21 VAL 7 3HG2 VAL 7 16.548 9.730 -6.460 499 HG22 VAL 7 1HG2 VAL 7 16.365 11.302 -5.645 500 HG23 VAL 7 2HG2 VAL 7 15.801 9.817 -4.865 501 H ASP 8 H ASP 8 12.854 13.419 -6.995 502 HA ASP 8 HA ASP 8 10.064 13.107 -6.688 503 HB2 ASP 8 1HB ASP 8 11.519 14.672 -8.843 504 HB3 ASP 8 2HB ASP 8 9.867 14.920 -8.279 505 H SER 9 H SER 9 8.480 12.970 -8.326 506 HA SER 9 HA SER 9 7.256 11.801 -9.800 507 HB2 SER 9 1HB SER 9 9.184 12.049 -11.457 508 HB3 SER 9 2HB SER 9 9.674 10.414 -10.966 509 HG SER 9 HG SER 9 8.355 9.989 -12.556 510 H TYR 10 H TYR 10 6.883 9.350 -10.300 511 HA TYR 10 HA TYR 10 5.733 8.582 -7.937 512 HB2 TYR 10 1HB TYR 10 6.380 6.980 -10.425 513 HB3 TYR 10 2HB TYR 10 5.492 6.286 -9.088 514 HD1 TYR 10 1HD TYR 10 5.351 8.876 -11.769 515 HD2 TYR 10 2HD TYR 10 3.255 6.947 -8.529 516 HE1 TYR 10 1HE TYR 10 3.197 9.840 -12.579 517 HE2 TYR 10 2HE TYR 10 1.132 7.922 -9.341 518 HH TYR 10 HH TYR 10 0.142 9.433 -10.721 519 H ASP 11 H ASP 11 6.052 7.204 -6.303 520 HA ASP 11 HA ASP 11 8.626 5.757 -5.896 521 HB2 ASP 11 1HB ASP 11 8.370 7.501 -4.287 522 HB3 ASP 11 2HB ASP 11 6.662 7.145 -4.056 523 H VAL 12 H VAL 12 8.484 3.660 -6.193 524 HA VAL 12 HA VAL 12 5.966 2.227 -5.531 525 HB VAL 12 HB VAL 12 8.302 1.332 -7.249 526 HG11 VAL 12 1HG1 VAL 12 5.726 -0.083 -6.398 527 HG12 VAL 12 2HG1 VAL 12 6.757 -0.609 -7.731 528 HG13 VAL 12 3HG1 VAL 12 7.391 -0.625 -6.080 529 HG21 VAL 12 3HG2 VAL 12 6.783 1.446 -9.086 530 HG22 VAL 12 1HG2 VAL 12 5.392 1.696 -7.997 531 HG23 VAL 12 2HG2 VAL 12 6.571 2.983 -8.226 532 H THR 13 H THR 13 5.961 1.170 -3.707 533 HA THR 13 HA THR 13 8.536 0.078 -2.582 534 HB THR 13 HB THR 13 6.231 1.123 -0.917 535 HG1 THR 13 1HG THR 13 7.951 2.590 -2.034 536 HG21 THR 13 3HG2 THR 13 8.936 -0.053 -0.184 537 HG22 THR 13 1HG2 THR 13 7.869 0.788 0.959 538 HG23 THR 13 2HG2 THR 13 7.340 -0.722 0.205 539 H MET 14 H MET 14 8.287 -1.960 -3.466 540 HA MET 14 HA MET 14 5.683 -3.352 -2.971 541 HB2 MET 14 1HB MET 14 6.233 -3.133 -5.311 542 HB3 MET 14 2HB MET 14 7.797 -3.905 -5.068 543 HG2 MET 14 1HG MET 14 6.825 -6.023 -4.675 544 HG3 MET 14 2HG MET 14 5.265 -5.347 -4.270 545 HE1 MET 14 3HE MET 14 7.663 -6.569 -6.860 546 HE2 MET 14 1HE MET 14 6.942 -6.162 -8.428 547 HE3 MET 14 2HE MET 14 7.620 -4.891 -7.372 548 H LEU 15 H LEU 15 5.679 -5.534 -2.318 549 HA LEU 15 HA LEU 15 8.041 -6.458 -0.810 550 HB2 LEU 15 1HB LEU 15 6.084 -4.912 0.288 551 HB3 LEU 15 2HB LEU 15 5.341 -6.497 0.492 552 HG LEU 15 HG LEU 15 8.170 -5.766 1.401 553 HD11 LEU 15 1HD1 LEU 15 6.439 -4.435 2.568 554 HD12 LEU 15 2HD1 LEU 15 5.546 -5.924 2.954 555 HD13 LEU 15 3HD1 LEU 15 7.148 -5.638 3.656 556 HD21 LEU 15 3HD2 LEU 15 7.860 -8.220 1.174 557 HD22 LEU 15 1HD2 LEU 15 7.910 -7.758 2.870 558 HD23 LEU 15 2HD2 LEU 15 6.353 -8.132 2.099 559 H LEU 16 H LEU 16 8.397 -8.498 -1.127 560 HA LEU 16 HA LEU 16 6.277 -10.283 -2.267 561 HB2 LEU 16 1HB LEU 16 9.275 -10.298 -2.755 562 HB3 LEU 16 2HB LEU 16 8.115 -11.394 -3.461 563 HG LEU 16 HG LEU 16 8.610 -10.054 -5.194 564 HD11 LEU 16 1HD1 LEU 16 6.212 -8.590 -4.051 565 HD12 LEU 16 2HD1 LEU 16 6.730 -8.625 -5.728 566 HD13 LEU 16 3HD1 LEU 16 6.184 -10.132 -4.958 567 HD21 LEU 16 3HD2 LEU 16 8.941 -7.696 -5.253 568 HD22 LEU 16 1HD2 LEU 16 8.448 -7.499 -3.562 569 HD23 LEU 16 2HD2 LEU 16 9.939 -8.371 -3.963 570 H GLN 17 H GLN 17 6.862 -12.605 -2.005 571 HA GLN 17 HA GLN 17 8.285 -13.164 0.567 572 HB2 GLN 17 1HB GLN 17 5.820 -13.368 0.681 573 HB3 GLN 17 2HB GLN 17 5.875 -14.645 -0.541 574 HG2 GLN 17 1HG GLN 17 7.207 -16.052 0.965 575 HG3 GLN 17 2HG GLN 17 7.380 -14.721 2.121 576 HE21 GLN 17 1HE2 GLN 17 5.365 -17.358 1.110 577 HE22 GLN 17 2HE2 GLN 17 4.051 -16.983 2.232 578 H ASP 18 H ASP 18 9.776 -14.702 0.630 579 HA ASP 18 HA ASP 18 10.823 -15.837 -1.858 580 HB2 ASP 18 1HB ASP 18 12.189 -14.724 -0.075 581 HB3 ASP 18 2HB ASP 18 11.670 -15.985 1.062 582 H ASP 19 H ASP 19 11.552 -18.103 -1.820 583 HA ASP 19 HA ASP 19 9.405 -20.006 -1.457 584 HB2 ASP 19 1HB ASP 19 11.166 -20.143 -3.178 585 HB3 ASP 19 2HB ASP 19 12.391 -20.368 -1.923 586 H ASP 20 H ASP 20 12.157 -19.088 0.615 587 HA ASP 20 HA ASP 20 11.727 -21.219 2.555 588 HB2 ASP 20 1HB ASP 20 13.887 -20.020 2.173 589 HB3 ASP 20 2HB ASP 20 13.157 -18.554 2.820 590 H GLY 21 H GLY 21 9.859 -18.504 1.792 591 HA2 GLY 21 1HA GLY 21 7.841 -17.914 2.763 592 HA3 GLY 21 2HA GLY 21 8.296 -18.702 4.274 593 H LYS 22 H LYS 22 10.831 -16.710 3.342 594 HA LYS 22 HA LYS 22 10.086 -14.654 5.330 595 HB2 LYS 22 1HB LYS 22 12.375 -13.763 4.951 596 HB3 LYS 22 2HB LYS 22 12.300 -15.414 5.557 597 HG2 LYS 22 1HG LYS 22 12.805 -16.294 3.315 598 HG3 LYS 22 2HG LYS 22 12.887 -14.652 2.655 599 HD2 LYS 22 1HD LYS 22 14.929 -14.198 3.713 600 HD3 LYS 22 2HD LYS 22 14.537 -15.223 5.094 601 HE2 LYS 22 1HE LYS 22 16.275 -16.375 4.079 602 HE3 LYS 22 2HE LYS 22 14.799 -17.248 3.696 603 HZ1 LYS 22 3HZ LYS 22 14.863 -15.993 1.485 604 HZ2 LYS 22 1HZ LYS 22 16.524 -15.696 1.850 605 HZ3 LYS 22 2HZ LYS 22 15.814 -17.203 1.682 606 H GLN 23 H GLN 23 9.987 -12.460 4.921 607 HA GLN 23 HA GLN 23 9.036 -11.844 2.172 608 HB2 GLN 23 1HB GLN 23 8.303 -10.717 4.893 609 HB3 GLN 23 2HB GLN 23 7.768 -10.025 3.351 610 HG2 GLN 23 1HG GLN 23 6.746 -12.172 2.698 611 HG3 GLN 23 2HG GLN 23 7.247 -12.897 4.231 612 HE21 GLN 23 1HE2 GLN 23 4.713 -13.294 3.935 613 HE22 GLN 23 2HE2 GLN 23 3.802 -12.057 4.841 614 H TYR 24 H TYR 24 9.739 -10.114 1.048 615 HA TYR 24 HA TYR 24 11.896 -8.463 2.253 616 HB2 TYR 24 1HB TYR 24 13.456 -8.965 0.505 617 HB3 TYR 24 2HB TYR 24 12.981 -10.448 1.301 618 HD1 TYR 24 1HD TYR 24 11.629 -12.156 0.121 619 HD2 TYR 24 2HD TYR 24 12.828 -8.493 -1.837 620 HE1 TYR 24 1HE TYR 24 11.102 -13.155 -2.103 621 HE2 TYR 24 2HE TYR 24 12.303 -9.479 -4.031 622 HH TYR 24 HH TYR 24 11.425 -11.303 -5.127 623 H TYR 25 H TYR 25 12.436 -6.600 1.183 624 HA TYR 25 HA TYR 25 10.111 -5.356 -0.132 625 HB2 TYR 25 1HB TYR 25 12.571 -4.346 1.334 626 HB3 TYR 25 2HB TYR 25 11.571 -3.279 0.377 627 HD1 TYR 25 2HD TYR 25 11.548 -5.440 3.417 628 HD2 TYR 25 1HD TYR 25 9.443 -2.515 1.050 629 HE1 TYR 25 2HE TYR 25 10.028 -4.995 5.325 630 HE2 TYR 25 1HE TYR 25 7.932 -2.047 2.977 631 HH TYR 25 HH TYR 25 8.315 -3.657 6.125 632 H GLU 26 H GLU 26 10.218 -4.062 -1.840 633 HA GLU 26 HA GLU 26 12.658 -3.775 -3.523 634 HB2 GLU 26 1HB GLU 26 9.850 -4.631 -4.316 635 HB3 GLU 26 2HB GLU 26 10.967 -3.929 -5.475 636 HG2 GLU 26 1HG GLU 26 11.494 -6.463 -3.862 637 HG3 GLU 26 2HG GLU 26 10.908 -6.403 -5.521 638 H TYR 27 H TYR 27 12.854 -1.790 -2.392 639 HA TYR 27 HA TYR 27 10.902 0.384 -2.715 640 HB2 TYR 27 1HB TYR 27 13.807 0.297 -1.785 641 HB3 TYR 27 2HB TYR 27 12.821 1.747 -1.830 642 HD1 TYR 27 1HD TYR 27 10.954 2.089 -0.272 643 HD2 TYR 27 2HD TYR 27 13.523 -1.363 -0.011 644 HE1 TYR 27 1HE TYR 27 10.242 1.726 2.098 645 HE2 TYR 27 2HE TYR 27 12.809 -1.726 2.336 646 HH TYR 27 HH TYR 27 11.469 -0.986 4.047 647 H HIS 28 H HIS 28 10.704 1.424 -4.623 648 HA HIS 28 HA HIS 28 13.085 2.002 -6.323 649 HB2 HIS 28 1HB HIS 28 10.475 0.720 -7.218 650 HB3 HIS 28 2HB HIS 28 11.669 1.422 -8.310 651 HD1 HIS 28 1HD HIS 28 14.080 0.247 -8.371 652 HD2 HIS 28 2HD HIS 28 11.024 -1.699 -6.235 653 HE1 HIS 28 1HE HIS 28 14.927 -2.199 -7.892 654 HE2 HIS 28 2HE HIS 28 13.085 -3.351 -6.564 655 H LYS 29 H LYS 29 13.164 4.138 -5.879 656 HA LYS 29 HA LYS 29 10.666 5.746 -6.002 657 HB2 LYS 29 1HB LYS 29 13.398 6.420 -4.823 658 HB3 LYS 29 2HB LYS 29 11.942 7.428 -4.759 659 HG2 LYS 29 1HG LYS 29 10.786 5.437 -3.652 660 HG3 LYS 29 2HG LYS 29 12.385 4.725 -3.429 661 HD2 LYS 29 1HD LYS 29 13.075 6.739 -2.166 662 HD3 LYS 29 2HD LYS 29 11.442 7.415 -2.337 663 HE2 LYS 29 1HE LYS 29 12.124 4.774 -1.001 664 HE3 LYS 29 2HE LYS 29 11.934 6.299 -0.135 665 HZ1 LYS 29 3HZ LYS 29 9.612 6.339 -0.917 666 HZ2 LYS 29 1HZ LYS 29 9.792 4.974 -1.754 667 HZ3 LYS 29 2HZ LYS 29 9.920 4.943 -0.102 668 H GLY 30 H GLY 30 10.819 7.938 -6.859 669 HA2 GLY 30 1HA GLY 30 11.070 9.354 -8.580 670 HA3 GLY 30 2HA GLY 30 12.801 8.991 -8.494 671 H LEU 31 H LEU 31 9.780 7.438 -9.642 672 HA LEU 31 HA LEU 31 10.969 7.049 -12.319 673 HB2 LEU 31 1HB LEU 31 10.370 4.663 -12.361 674 HB3 LEU 31 2HB LEU 31 11.649 5.074 -11.261 675 HG LEU 31 HG LEU 31 10.175 4.829 -9.319 676 HD11 LEU 31 1HD1 LEU 31 8.054 3.870 -11.296 677 HD12 LEU 31 2HD1 LEU 31 8.008 3.747 -9.533 678 HD13 LEU 31 3HD1 LEU 31 7.955 5.329 -10.274 679 HD21 LEU 31 3HD2 LEU 31 9.916 2.388 -9.466 680 HD22 LEU 31 1HD2 LEU 31 10.121 2.455 -11.224 681 HD23 LEU 31 2HD2 LEU 31 11.466 2.911 -10.156 682 H SER 32 H SER 32 8.805 5.467 -13.389 683 HA SER 32 HA SER 32 6.440 7.191 -12.900 684 HB2 SER 32 1HB SER 32 6.300 7.843 -15.113 685 HB3 SER 32 2HB SER 32 7.998 8.063 -14.725 686 HG SER 32 HG SER 32 8.610 6.307 -15.945 687 H LEU 33 H LEU 33 4.640 6.407 -14.583 688 HA LEU 33 HA LEU 33 3.833 3.951 -13.412 689 HB2 LEU 33 1HB LEU 33 2.689 5.484 -15.790 690 HB3 LEU 33 2HB LEU 33 1.858 4.162 -14.973 691 HG LEU 33 HG LEU 33 2.635 6.833 -13.731 692 HD11 LEU 33 1HD1 LEU 33 0.234 7.266 -13.678 693 HD12 LEU 33 2HD1 LEU 33 0.752 6.934 -15.342 694 HD13 LEU 33 3HD1 LEU 33 -0.095 5.676 -14.415 695 HD21 LEU 33 3HD2 LEU 33 0.689 5.266 -12.224 696 HD22 LEU 33 1HD2 LEU 33 2.177 4.405 -12.327 697 HD23 LEU 33 2HD2 LEU 33 2.172 6.035 -11.682 698 H SER 34 H SER 34 5.272 4.509 -16.619 699 HA SER 34 HA SER 34 4.903 1.801 -17.536 700 HB2 SER 34 1HB SER 34 6.512 2.445 -19.234 701 HB3 SER 34 2HB SER 34 5.262 3.685 -19.070 702 HG SER 34 HG SER 34 6.782 5.062 -18.422 703 H ASP 35 H ASP 35 7.188 3.336 -15.356 704 HA ASP 35 HA ASP 35 9.165 1.161 -15.485 705 HB2 ASP 35 1HB ASP 35 8.862 3.411 -13.469 706 HB3 ASP 35 2HB ASP 35 10.275 2.402 -13.704 707 H PHE 36 H PHE 36 6.518 2.261 -13.343 708 HA PHE 36 HA PHE 36 6.686 0.132 -11.430 709 HB2 PHE 36 1HB PHE 36 5.258 2.023 -10.988 710 HB3 PHE 36 2HB PHE 36 4.339 1.756 -12.458 711 HD1 PHE 36 1HD PHE 36 5.398 -0.416 -9.560 712 HD2 PHE 36 2HD PHE 36 2.187 0.897 -12.112 713 HE1 PHE 36 1HE PHE 36 3.868 -1.948 -8.400 714 HE2 PHE 36 2HE PHE 36 0.639 -0.652 -10.950 715 HZ PHE 36 HZ PHE 36 1.474 -2.090 -9.097 716 H GLU 37 H GLU 37 5.021 0.277 -14.623 717 HA GLU 37 HA GLU 37 3.979 -2.360 -14.601 718 HB2 GLU 37 1HB GLU 37 4.711 -0.353 -16.713 719 HB3 GLU 37 2HB GLU 37 4.374 -2.010 -17.208 720 HG2 GLU 37 1HG GLU 37 2.205 -1.975 -16.082 721 HG3 GLU 37 2HG GLU 37 2.524 -0.351 -15.452 722 H VAL 38 H VAL 38 7.307 -1.339 -15.201 723 HA VAL 38 HA VAL 38 8.173 -3.961 -16.177 724 HB VAL 38 HB VAL 38 9.766 -1.684 -14.933 725 HG11 VAL 38 1HG1 VAL 38 10.807 -4.127 -16.405 726 HG12 VAL 38 2HG1 VAL 38 11.760 -2.778 -15.763 727 HG13 VAL 38 3HG1 VAL 38 10.942 -3.874 -14.660 728 HG21 VAL 38 3HG2 VAL 38 10.469 -1.206 -17.213 729 HG22 VAL 38 1HG2 VAL 38 9.559 -2.597 -17.831 730 HG23 VAL 38 2HG2 VAL 38 8.714 -1.204 -17.172 731 H LEU 39 H LEU 39 8.262 -2.313 -12.974 732 HA LEU 39 HA LEU 39 9.418 -4.535 -11.605 733 HB2 LEU 39 1HB LEU 39 9.151 -2.055 -10.822 734 HB3 LEU 39 2HB LEU 39 7.536 -2.531 -10.309 735 HG LEU 39 HG LEU 39 8.751 -4.464 -9.027 736 HD11 LEU 39 1HD1 LEU 39 11.052 -3.972 -8.329 737 HD12 LEU 39 2HD1 LEU 39 10.961 -4.223 -10.070 738 HD13 LEU 39 3HD1 LEU 39 11.094 -2.571 -9.432 739 HD21 LEU 39 3HD2 LEU 39 9.202 -2.978 -7.085 740 HD22 LEU 39 1HD2 LEU 39 9.102 -1.562 -8.165 741 HD23 LEU 39 2HD2 LEU 39 7.677 -2.601 -7.887 742 H TYR 40 H TYR 40 5.970 -3.569 -11.874 743 HA TYR 40 HA TYR 40 4.929 -5.844 -10.470 744 HB2 TYR 40 1HB TYR 40 3.737 -3.739 -10.747 745 HB3 TYR 40 2HB TYR 40 3.684 -3.958 -12.487 746 HD1 TYR 40 2HD TYR 40 2.577 -5.603 -9.273 747 HD2 TYR 40 1HD TYR 40 1.854 -5.026 -13.484 748 HE1 TYR 40 2HE TYR 40 0.398 -6.822 -9.077 749 HE2 TYR 40 1HE TYR 40 -0.288 -6.240 -13.288 750 HH TYR 40 HH TYR 40 -1.637 -7.535 -12.009 751 H GLY 41 H GLY 41 5.949 -5.471 -13.863 752 HA2 GLY 41 1HA GLY 41 4.631 -7.938 -14.726 753 HA3 GLY 41 2HA GLY 41 5.684 -6.886 -15.670 754 H ASN 42 H ASN 42 7.832 -7.105 -13.519 755 HA ASN 42 HA ASN 42 8.879 -9.779 -14.377 756 HB2 ASN 42 1HB ASN 42 9.860 -7.631 -15.294 757 HB3 ASN 42 2HB ASN 42 10.382 -7.230 -13.657 758 HD21 ASN 42 1HD2 ASN 42 10.752 -9.637 -16.302 759 HD22 ASN 42 2HD2 ASN 42 12.343 -10.141 -15.719 760 H THR 43 H THR 43 8.415 -7.756 -11.548 761 HA THR 43 HA THR 43 10.156 -9.489 -9.871 762 HB THR 43 HB THR 43 9.431 -6.571 -9.490 763 HG1 THR 43 1HG THR 43 11.675 -7.636 -10.846 764 HG21 THR 43 3HG2 THR 43 11.650 -6.475 -8.357 765 HG22 THR 43 1HG2 THR 43 10.493 -7.510 -7.524 766 HG23 THR 43 2HG2 THR 43 11.777 -8.242 -8.508 767 H ALA 44 H ALA 44 6.895 -8.845 -10.307 768 HA ALA 44 HA ALA 44 5.931 -8.700 -7.617 769 HB1 ALA 44 3HB ALA 44 4.727 -7.861 -9.552 770 HB2 ALA 44 1HB ALA 44 4.528 -9.516 -10.174 771 HB3 ALA 44 2HB ALA 44 3.755 -9.025 -8.648 772 H ASP 45 H ASP 45 7.796 -10.773 -7.634 773 HA ASP 45 HA ASP 45 6.675 -13.390 -8.162 774 HB2 ASP 45 1HB ASP 45 9.247 -12.547 -6.772 775 HB3 ASP 45 2HB ASP 45 8.839 -14.197 -7.267 776 H GLU 46 H GLU 46 4.846 -13.431 -6.903 777 HA GLU 46 HA GLU 46 3.470 -13.950 -5.171 778 HB2 GLU 46 1HB GLU 46 5.909 -14.834 -3.589 779 HB3 GLU 46 2HB GLU 46 4.234 -14.958 -3.084 780 HG2 GLU 46 1HG GLU 46 4.805 -17.086 -3.922 781 HG3 GLU 46 2HG GLU 46 3.720 -16.337 -5.088 782 H ILE 47 H ILE 47 3.343 -11.659 -5.580 783 HA ILE 47 HA ILE 47 4.329 -9.756 -3.706 784 HB ILE 47 HB ILE 47 3.822 -9.238 -5.972 785 HG12 ILE 47 1HG1 ILE 47 3.724 -7.480 -4.172 786 HG13 ILE 47 2HG1 ILE 47 3.061 -7.115 -5.754 787 HG21 ILE 47 1HG2 ILE 47 0.894 -9.763 -5.413 788 HG22 ILE 47 2HG2 ILE 47 1.532 -8.936 -6.842 789 HG23 ILE 47 3HG2 ILE 47 1.950 -10.618 -6.544 790 HD11 ILE 47 3HD1 ILE 47 1.643 -6.155 -4.058 791 HD12 ILE 47 1HD1 ILE 47 0.753 -7.422 -4.897 792 HD13 ILE 47 2HD1 ILE 47 1.406 -7.723 -3.273 793 H ILE 48 H ILE 48 3.728 -9.101 -1.878 794 HA ILE 48 HA ILE 48 1.363 -10.243 -0.485 795 HB ILE 48 HB ILE 48 4.040 -9.250 0.594 796 HG12 ILE 48 1HG1 ILE 48 4.488 -11.283 -0.545 797 HG13 ILE 48 2HG1 ILE 48 4.533 -11.580 1.176 798 HG21 ILE 48 1HG2 ILE 48 3.282 -10.297 2.740 799 HG22 ILE 48 2HG2 ILE 48 2.340 -8.887 2.254 800 HG23 ILE 48 3HG2 ILE 48 1.668 -10.514 2.011 801 HD11 ILE 48 3HD1 ILE 48 3.376 -13.304 -0.411 802 HD12 ILE 48 1HD1 ILE 48 2.627 -12.932 1.132 803 HD13 ILE 48 2HD1 ILE 48 2.002 -12.247 -0.352 804 H LYS 49 H LYS 49 3.361 -7.288 -0.946 805 HA LYS 49 HA LYS 49 0.886 -5.931 -1.276 806 HB2 LYS 49 1HB LYS 49 1.144 -4.122 0.375 807 HB3 LYS 49 2HB LYS 49 0.942 -5.680 1.150 808 HG2 LYS 49 1HG LYS 49 3.438 -5.793 1.511 809 HG3 LYS 49 2HG LYS 49 3.569 -4.192 0.754 810 HD2 LYS 49 1HD LYS 49 3.560 -3.783 3.103 811 HD3 LYS 49 2HD LYS 49 1.917 -3.375 2.549 812 HE2 LYS 49 1HE LYS 49 1.438 -5.936 3.066 813 HE3 LYS 49 2HE LYS 49 2.913 -5.839 4.027 814 HZ1 LYS 49 3HZ LYS 49 1.647 -3.772 4.973 815 HZ2 LYS 49 1HZ LYS 49 0.326 -4.539 4.355 816 HZ3 LYS 49 2HZ LYS 49 1.267 -5.269 5.521 817 H LEU 50 H LEU 50 1.153 -3.722 -1.995 818 HA LEU 50 HA LEU 50 3.823 -2.726 -2.261 819 HB2 LEU 50 1HB LEU 50 3.934 -2.284 -4.616 820 HB3 LEU 50 2HB LEU 50 3.612 -3.989 -4.369 821 HG LEU 50 HG LEU 50 1.105 -3.325 -4.753 822 HD11 LEU 50 1HD1 LEU 50 0.893 -1.556 -6.512 823 HD12 LEU 50 2HD1 LEU 50 1.346 -0.874 -4.957 824 HD13 LEU 50 3HD1 LEU 50 2.575 -1.080 -6.221 825 HD21 LEU 50 3HD2 LEU 50 3.160 -3.491 -6.975 826 HD22 LEU 50 1HD2 LEU 50 2.353 -4.846 -6.174 827 HD23 LEU 50 2HD2 LEU 50 1.410 -3.741 -7.180 828 H ARG 51 H ARG 51 3.984 -0.597 -2.659 829 HA ARG 51 HA ARG 51 1.517 1.082 -2.593 830 HB2 ARG 51 1HB ARG 51 2.961 1.178 -0.531 831 HB3 ARG 51 2HB ARG 51 4.302 1.723 -1.546 832 HG2 ARG 51 1HG ARG 51 3.168 3.766 -2.117 833 HG3 ARG 51 2HG ARG 51 1.672 3.211 -1.361 834 HD2 ARG 51 1HD ARG 51 2.312 3.818 0.707 835 HD3 ARG 51 2HD ARG 51 3.922 3.131 0.531 836 HE ARG 51 HE ARG 51 3.118 5.925 -0.009 837 HH11 ARG 51 2HH2 ARG 51 5.812 3.578 -0.563 838 HH12 ARG 51 1HH2 ARG 51 6.768 4.948 -1.134 839 HH21 ARG 51 2HH1 ARG 51 4.561 7.421 -0.676 840 HH22 ARG 51 1HH1 ARG 51 6.209 6.827 -1.116 841 H LEU 52 H LEU 52 1.400 2.683 -4.077 842 HA LEU 52 HA LEU 52 3.747 3.453 -5.695 843 HB2 LEU 52 1HB LEU 52 2.609 1.959 -7.195 844 HB3 LEU 52 2HB LEU 52 1.058 2.683 -6.826 845 HG LEU 52 HG LEU 52 1.934 4.872 -7.854 846 HD11 LEU 52 1HD1 LEU 52 3.763 4.673 -9.470 847 HD12 LEU 52 2HD1 LEU 52 4.374 4.288 -7.845 848 HD13 LEU 52 3HD1 LEU 52 4.012 2.991 -9.018 849 HD21 LEU 52 3HD2 LEU 52 1.514 4.070 -10.137 850 HD22 LEU 52 1HD2 LEU 52 1.707 2.385 -9.599 851 HD23 LEU 52 2HD2 LEU 52 0.363 3.368 -9.011 852 H ASP 53 H ASP 53 4.023 5.549 -5.364 853 HA ASP 53 HA ASP 53 1.707 7.327 -4.653 854 HB2 ASP 53 1HB ASP 53 2.954 6.269 -2.729 855 HB3 ASP 53 2HB ASP 53 4.404 7.115 -3.258 856 H LYS 54 H LYS 54 1.647 9.050 -6.007 857 HA LYS 54 HA LYS 54 3.928 9.745 -7.707 858 HB2 LYS 54 1HB LYS 54 1.490 10.058 -8.312 859 HB3 LYS 54 2HB LYS 54 1.453 11.300 -7.086 860 HG2 LYS 54 1HG LYS 54 3.405 12.439 -8.362 861 HG3 LYS 54 2HG LYS 54 3.080 11.280 -9.649 862 HD2 LYS 54 1HD LYS 54 0.721 12.081 -9.724 863 HD3 LYS 54 2HD LYS 54 1.079 13.247 -8.446 864 HE2 LYS 54 1HE LYS 54 2.880 13.267 -10.842 865 HE3 LYS 54 2HE LYS 54 1.211 13.796 -11.110 866 HZ1 LYS 54 3HZ LYS 54 1.567 15.400 -9.231 867 HZ2 LYS 54 1HZ LYS 54 3.146 15.003 -9.160 868 HZ3 LYS 54 2HZ LYS 54 2.596 15.674 -10.502 869 H VAL 55 H VAL 55 5.656 10.216 -6.379 870 HA VAL 55 HA VAL 55 5.655 12.537 -4.608 871 HB VAL 55 HB VAL 55 8.032 11.656 -6.219 872 HG11 VAL 55 1HG1 VAL 55 9.295 12.363 -4.236 873 HG12 VAL 55 2HG1 VAL 55 8.383 13.667 -4.984 874 HG13 VAL 55 3HG1 VAL 55 7.773 12.909 -3.486 875 HG21 VAL 55 3HG2 VAL 55 7.125 9.572 -5.120 876 HG22 VAL 55 1HG2 VAL 55 8.669 10.064 -4.452 877 HG23 VAL 55 2HG2 VAL 55 7.169 10.416 -3.563 878 H LEU 56 H LEU 56 6.217 14.532 -5.128 879 HA LEU 56 HA LEU 56 5.580 16.463 -6.095 880 HB2 LEU 56 1HB LEU 56 8.002 16.069 -6.731 881 HB3 LEU 56 2HB LEU 56 7.435 15.467 -8.289 882 HG LEU 56 HG LEU 56 6.474 17.700 -8.798 883 HD11 LEU 56 1HD1 LEU 56 7.953 18.832 -6.418 884 HD12 LEU 56 2HD1 LEU 56 6.742 19.591 -7.467 885 HD13 LEU 56 3HD1 LEU 56 6.258 18.397 -6.292 886 HD21 LEU 56 3HD2 LEU 56 8.508 17.700 -9.808 887 HD22 LEU 56 1HD2 LEU 56 8.967 18.848 -8.549 888 HD23 LEU 56 2HD2 LEU 56 9.360 17.153 -8.365 Start of MODEL 12 1 H1 MET 1 1H MET 1 -9.053 -10.002 7.751 2 H2 MET 1 2H MET 1 -9.877 -11.380 7.468 3 H3 MET 1 3H MET 1 -8.287 -11.455 7.927 4 HA MET 1 HA MET 1 -9.718 -12.030 9.756 5 HB2 MET 1 1HB MET 1 -7.543 -10.844 10.115 6 HB3 MET 1 2HB MET 1 -8.414 -9.296 10.124 7 HG2 MET 1 1HG MET 1 -9.728 -10.060 12.079 8 HG3 MET 1 2HG MET 1 -8.934 -11.636 11.991 9 HE1 MET 1 3HE MET 1 -8.541 -9.794 14.971 10 HE2 MET 1 1HE MET 1 -8.774 -11.398 14.235 11 HE3 MET 1 2HE MET 1 -7.219 -10.992 14.992 12 H VAL 2 H VAL 2 -11.645 -11.771 10.701 13 HA VAL 2 HA VAL 2 -13.839 -11.275 10.832 14 HB VAL 2 HB VAL 2 -13.298 -8.410 10.007 15 HG11 VAL 2 1HG1 VAL 2 -15.704 -9.438 9.845 16 HG12 VAL 2 2HG1 VAL 2 -15.641 -9.469 11.616 17 HG13 VAL 2 3HG1 VAL 2 -15.476 -7.937 10.733 18 HG21 VAL 2 3HG2 VAL 2 -13.497 -9.704 12.771 19 HG22 VAL 2 1HG2 VAL 2 -12.062 -8.920 12.077 20 HG23 VAL 2 2HG2 VAL 2 -13.489 -7.952 12.462 21 H GLN 3 H GLN 3 -14.139 -12.755 9.295 22 HA GLN 3 HA GLN 3 -13.629 -12.320 6.548 23 HB2 GLN 3 1HB GLN 3 -15.063 -14.647 7.900 24 HB3 GLN 3 2HB GLN 3 -14.239 -14.683 6.346 25 HG2 GLN 3 1HG GLN 3 -12.983 -14.463 9.106 26 HG3 GLN 3 2HG GLN 3 -12.835 -15.777 7.956 27 HE21 GLN 3 1HE2 GLN 3 -11.309 -15.552 6.162 28 HE22 GLN 3 2HE2 GLN 3 -10.103 -14.265 6.283 29 H ASN 4 H ASN 4 -15.516 -10.639 7.440 30 HA ASN 4 HA ASN 4 -17.692 -10.963 5.436 31 HB2 ASN 4 1HB ASN 4 -18.571 -11.593 7.696 32 HB3 ASN 4 2HB ASN 4 -18.119 -9.998 8.302 33 HD21 ASN 4 1HD2 ASN 4 -20.044 -11.505 5.609 34 HD22 ASN 4 2HD2 ASN 4 -21.292 -10.253 5.736 35 H ASP 5 H ASP 5 -15.178 -9.089 6.691 36 HA ASP 5 HA ASP 5 -16.063 -6.696 5.162 37 HB2 ASP 5 1HB ASP 5 -16.468 -6.341 7.601 38 HB3 ASP 5 2HB ASP 5 -14.754 -6.662 7.908 39 H PHE 6 H PHE 6 -13.381 -8.454 6.675 40 HA PHE 6 HA PHE 6 -11.734 -7.939 4.248 41 HB2 PHE 6 1HB PHE 6 -10.911 -7.551 7.127 42 HB3 PHE 6 2HB PHE 6 -9.734 -8.001 5.907 43 HD1 PHE 6 2HD PHE 6 -9.340 -6.560 3.902 44 HD2 PHE 6 1HD PHE 6 -11.680 -5.259 7.273 45 HE1 PHE 6 2HE PHE 6 -8.947 -4.191 3.260 46 HE2 PHE 6 1HE PHE 6 -11.304 -2.902 6.632 47 HZ PHE 6 HZ PHE 6 -9.912 -2.358 4.628 48 H VAL 7 H VAL 7 -13.009 -9.928 3.863 49 HA VAL 7 HA VAL 7 -11.946 -12.413 4.969 50 HB VAL 7 HB VAL 7 -14.193 -12.166 3.862 51 HG11 VAL 7 1HG1 VAL 7 -13.849 -10.863 1.912 52 HG12 VAL 7 2HG1 VAL 7 -12.543 -11.907 1.318 53 HG13 VAL 7 3HG1 VAL 7 -14.205 -12.497 1.335 54 HG21 VAL 7 3HG2 VAL 7 -14.198 -14.355 2.933 55 HG22 VAL 7 1HG2 VAL 7 -12.454 -14.315 2.614 56 HG23 VAL 7 2HG2 VAL 7 -13.069 -14.337 4.292 57 H ASP 8 H ASP 8 -10.526 -13.883 3.773 58 HA ASP 8 HA ASP 8 -8.208 -12.547 2.777 59 HB2 ASP 8 1HB ASP 8 -8.096 -14.709 3.845 60 HB3 ASP 8 2HB ASP 8 -8.940 -15.465 2.466 61 H SER 9 H SER 9 -7.328 -12.643 0.981 62 HA SER 9 HA SER 9 -7.885 -12.477 -1.741 63 HB2 SER 9 1HB SER 9 -9.722 -10.629 -0.163 64 HB3 SER 9 2HB SER 9 -9.286 -10.303 -1.841 65 HG SER 9 HG SER 9 -11.045 -12.034 -0.812 66 H TYR 10 H TYR 10 -7.446 -10.038 -2.557 67 HA TYR 10 HA TYR 10 -5.324 -8.750 -0.876 68 HB2 TYR 10 1HB TYR 10 -6.114 -8.484 -3.797 69 HB3 TYR 10 2HB TYR 10 -5.027 -7.383 -2.962 70 HD1 TYR 10 2HD TYR 10 -5.482 -11.003 -3.870 71 HD2 TYR 10 1HD TYR 10 -2.785 -7.951 -2.465 72 HE1 TYR 10 2HE TYR 10 -3.580 -12.624 -3.987 73 HE2 TYR 10 1HE TYR 10 -0.895 -9.537 -2.628 74 HH TYR 10 HH TYR 10 -0.207 -11.666 -3.184 75 H ASP 11 H ASP 11 -5.598 -6.562 -0.471 76 HA ASP 11 HA ASP 11 -8.185 -5.070 -0.747 77 HB2 ASP 11 1HB ASP 11 -7.651 -5.285 1.554 78 HB3 ASP 11 2HB ASP 11 -5.933 -5.150 1.271 79 H VAL 12 H VAL 12 -8.045 -3.225 -1.840 80 HA VAL 12 HA VAL 12 -5.527 -2.305 -3.093 81 HB VAL 12 HB VAL 12 -8.107 -2.810 -4.627 82 HG11 VAL 12 1HG1 VAL 12 -5.411 -1.651 -5.497 83 HG12 VAL 12 2HG1 VAL 12 -6.774 -2.072 -6.566 84 HG13 VAL 12 3HG1 VAL 12 -6.953 -0.766 -5.394 85 HG21 VAL 12 3HG2 VAL 12 -7.262 -4.831 -5.186 86 HG22 VAL 12 1HG2 VAL 12 -5.817 -4.071 -5.851 87 HG23 VAL 12 2HG2 VAL 12 -5.838 -4.581 -4.175 88 H THR 13 H THR 13 -5.539 -0.709 -1.620 89 HA THR 13 HA THR 13 -7.830 1.198 -1.510 90 HB THR 13 HB THR 13 -5.335 0.936 0.194 91 HG1 THR 13 1HG THR 13 -7.051 -0.697 0.538 92 HG21 THR 13 3HG2 THR 13 -6.034 3.305 0.111 93 HG22 THR 13 1HG2 THR 13 -7.726 2.837 0.398 94 HG23 THR 13 2HG2 THR 13 -6.501 2.592 1.661 95 H MET 14 H MET 14 -7.773 2.417 -3.335 96 HA MET 14 HA MET 14 -5.179 3.714 -4.055 97 HB2 MET 14 1HB MET 14 -6.664 1.908 -5.510 98 HB3 MET 14 2HB MET 14 -7.372 3.420 -6.054 99 HG2 MET 14 1HG MET 14 -5.203 4.249 -6.753 100 HG3 MET 14 2HG MET 14 -4.414 2.910 -5.975 101 HE1 MET 14 3HE MET 14 -6.797 2.560 -9.932 102 HE2 MET 14 1HE MET 14 -7.683 2.632 -8.394 103 HE3 MET 14 2HE MET 14 -6.699 4.018 -8.925 104 H LEU 15 H LEU 15 -5.345 5.912 -4.939 105 HA LEU 15 HA LEU 15 -7.994 7.068 -5.039 106 HB2 LEU 15 1HB LEU 15 -7.770 8.872 -3.508 107 HB3 LEU 15 2HB LEU 15 -7.347 7.424 -2.642 108 HG LEU 15 HG LEU 15 -4.861 8.230 -3.547 109 HD11 LEU 15 1HD1 LEU 15 -6.437 10.747 -2.832 110 HD12 LEU 15 2HD1 LEU 15 -4.695 10.657 -3.115 111 HD13 LEU 15 3HD1 LEU 15 -5.829 10.380 -4.449 112 HD21 LEU 15 3HD2 LEU 15 -5.441 7.579 -1.226 113 HD22 LEU 15 1HD2 LEU 15 -4.538 9.109 -1.240 114 HD23 LEU 15 2HD2 LEU 15 -6.295 9.123 -1.005 115 H LEU 16 H LEU 16 -8.086 9.126 -5.931 116 HA LEU 16 HA LEU 16 -5.999 9.728 -7.983 117 HB2 LEU 16 1HB LEU 16 -8.957 9.042 -8.207 118 HB3 LEU 16 2HB LEU 16 -8.119 9.883 -9.496 119 HG LEU 16 HG LEU 16 -6.593 7.503 -8.681 120 HD11 LEU 16 1HD1 LEU 16 -9.419 7.043 -9.709 121 HD12 LEU 16 2HD1 LEU 16 -8.151 5.815 -9.548 122 HD13 LEU 16 3HD1 LEU 16 -8.820 6.590 -8.095 123 HD21 LEU 16 3HD2 LEU 16 -6.381 8.823 -10.785 124 HD22 LEU 16 1HD2 LEU 16 -6.608 7.099 -11.028 125 HD23 LEU 16 2HD2 LEU 16 -7.968 8.215 -11.291 126 H GLN 17 H GLN 17 -6.593 11.734 -9.173 127 HA GLN 17 HA GLN 17 -8.059 13.693 -7.457 128 HB2 GLN 17 1HB GLN 17 -5.560 13.956 -7.567 129 HB3 GLN 17 2HB GLN 17 -5.731 14.286 -9.301 130 HG2 GLN 17 1HG GLN 17 -7.310 16.179 -8.679 131 HG3 GLN 17 2HG GLN 17 -6.966 15.846 -6.979 132 HE21 GLN 17 1HE2 GLN 17 -5.724 17.213 -9.993 133 HE22 GLN 17 2HE2 GLN 17 -4.269 17.876 -9.240 134 H ASP 18 H ASP 18 -9.672 14.779 -8.335 135 HA ASP 18 HA ASP 18 -10.600 14.180 -11.041 136 HB2 ASP 18 1HB ASP 18 -12.073 14.422 -9.009 137 HB3 ASP 18 2HB ASP 18 -11.619 16.131 -8.932 138 H ASP 19 H ASP 19 -11.215 15.960 -12.536 139 HA ASP 19 HA ASP 19 -9.023 17.751 -13.160 140 HB2 ASP 19 1HB ASP 19 -11.849 17.340 -14.199 141 HB3 ASP 19 2HB ASP 19 -10.856 18.692 -14.748 142 H ASP 20 H ASP 20 -11.942 18.138 -11.135 143 HA ASP 20 HA ASP 20 -11.696 21.031 -10.918 144 HB2 ASP 20 1HB ASP 20 -13.745 19.575 -10.540 145 HB3 ASP 20 2HB ASP 20 -12.993 19.027 -9.038 146 H GLY 21 H GLY 21 -9.581 18.638 -9.939 147 HA2 GLY 21 1HA GLY 21 -7.570 18.946 -8.862 148 HA3 GLY 21 2HA GLY 21 -8.127 20.487 -8.201 149 H LYS 22 H LYS 22 -10.352 18.039 -7.527 150 HA LYS 22 HA LYS 22 -9.354 17.825 -4.723 151 HB2 LYS 22 1HB LYS 22 -11.644 17.174 -4.157 152 HB3 LYS 22 2HB LYS 22 -11.604 18.732 -5.007 153 HG2 LYS 22 1HG LYS 22 -12.261 17.631 -7.112 154 HG3 LYS 22 2HG LYS 22 -12.258 16.043 -6.319 155 HD2 LYS 22 1HD LYS 22 -14.003 16.856 -4.716 156 HD3 LYS 22 2HD LYS 22 -13.982 18.427 -5.562 157 HE2 LYS 22 1HE LYS 22 -14.235 16.822 -7.699 158 HE3 LYS 22 2HE LYS 22 -14.980 15.737 -6.509 159 HZ1 LYS 22 3HZ LYS 22 -16.270 17.713 -7.780 160 HZ2 LYS 22 1HZ LYS 22 -16.729 17.202 -6.270 161 HZ3 LYS 22 2HZ LYS 22 -15.772 18.540 -6.461 162 H GLN 23 H GLN 23 -9.302 15.870 -3.629 163 HA GLN 23 HA GLN 23 -8.606 13.603 -5.371 164 HB2 GLN 23 1HB GLN 23 -8.228 14.162 -2.415 165 HB3 GLN 23 2HB GLN 23 -7.841 12.605 -3.167 166 HG2 GLN 23 1HG GLN 23 -6.305 13.700 -4.753 167 HG3 GLN 23 2HG GLN 23 -6.694 15.286 -4.073 168 HE21 GLN 23 1HE2 GLN 23 -4.251 15.335 -3.854 169 HE22 GLN 23 2HE2 GLN 23 -3.647 14.627 -2.343 170 H TYR 24 H TYR 24 -9.463 11.571 -5.253 171 HA TYR 24 HA TYR 24 -11.721 11.059 -3.431 172 HB2 TYR 24 1HB TYR 24 -13.200 10.284 -5.157 173 HB3 TYR 24 2HB TYR 24 -12.773 11.953 -5.469 174 HD1 TYR 24 1HD TYR 24 -11.285 12.551 -7.388 175 HD2 TYR 24 2HD TYR 24 -12.539 8.478 -6.674 176 HE1 TYR 24 1HE TYR 24 -10.679 11.952 -9.721 177 HE2 TYR 24 2HE TYR 24 -11.936 7.886 -9.006 178 HH TYR 24 HH TYR 24 -10.443 10.254 -11.238 179 H TYR 25 H TYR 25 -11.986 8.930 -2.907 180 HA TYR 25 HA TYR 25 -9.633 7.234 -3.353 181 HB2 TYR 25 1HB TYR 25 -12.001 7.199 -1.490 182 HB3 TYR 25 2HB TYR 25 -11.092 5.728 -1.746 183 HD1 TYR 25 2HD TYR 25 -10.805 9.250 -0.605 184 HD2 TYR 25 1HD TYR 25 -8.891 5.397 -0.788 185 HE1 TYR 25 2HE TYR 25 -9.146 9.996 1.095 186 HE2 TYR 25 1HE TYR 25 -7.250 6.119 0.929 187 HH TYR 25 HH TYR 25 -6.482 7.963 2.267 188 H GLU 26 H GLU 26 -9.624 5.227 -4.003 189 HA GLU 26 HA GLU 26 -12.001 3.856 -5.113 190 HB2 GLU 26 1HB GLU 26 -9.288 4.254 -6.402 191 HB3 GLU 26 2HB GLU 26 -10.228 2.799 -6.741 192 HG2 GLU 26 1HG GLU 26 -11.172 5.669 -7.170 193 HG3 GLU 26 2HG GLU 26 -10.508 4.611 -8.419 194 H TYR 27 H TYR 27 -11.875 3.394 -2.810 195 HA TYR 27 HA TYR 27 -9.824 1.510 -1.868 196 HB2 TYR 27 1HB TYR 27 -10.449 3.126 -0.285 197 HB3 TYR 27 2HB TYR 27 -12.149 3.016 -0.697 198 HD1 TYR 27 1HD TYR 27 -9.682 0.302 0.326 199 HD2 TYR 27 2HD TYR 27 -13.305 2.481 1.197 200 HE1 TYR 27 1HE TYR 27 -10.078 -1.146 2.289 201 HE2 TYR 27 2HE TYR 27 -13.699 1.051 3.165 202 HH TYR 27 HH TYR 27 -12.810 -0.503 4.519 203 H HIS 28 H HIS 28 -9.959 -0.602 -2.332 204 HA HIS 28 HA HIS 28 -12.614 -1.912 -2.489 205 HB2 HIS 28 1HB HIS 28 -10.251 -2.230 -4.378 206 HB3 HIS 28 2HB HIS 28 -11.708 -3.221 -4.397 207 HD1 HIS 28 1HD HIS 28 -13.994 -1.965 -5.189 208 HD2 HIS 28 2HD HIS 28 -10.373 0.184 -5.531 209 HE1 HIS 28 1HE HIS 28 -14.480 0.076 -6.724 210 HE2 HIS 28 2HE HIS 28 -12.327 1.385 -6.922 211 H LYS 29 H LYS 29 -12.610 -4.035 -1.671 212 HA LYS 29 HA LYS 29 -10.119 -5.397 -1.307 213 HB2 LYS 29 1HB LYS 29 -10.225 -5.922 1.008 214 HB3 LYS 29 2HB LYS 29 -10.209 -4.178 0.864 215 HG2 LYS 29 1HG LYS 29 -12.797 -5.728 1.211 216 HG3 LYS 29 2HG LYS 29 -11.782 -5.306 2.577 217 HD2 LYS 29 1HD LYS 29 -11.962 -2.879 1.957 218 HD3 LYS 29 2HD LYS 29 -13.085 -3.320 0.667 219 HE2 LYS 29 1HE LYS 29 -14.424 -2.611 2.507 220 HE3 LYS 29 2HE LYS 29 -14.596 -4.361 2.340 221 HZ1 LYS 29 3HZ LYS 29 -13.281 -2.858 4.490 222 HZ2 LYS 29 1HZ LYS 29 -14.234 -4.200 4.584 223 HZ3 LYS 29 2HZ LYS 29 -12.695 -4.350 4.116 224 H GLY 30 H GLY 30 -10.506 -7.671 -0.562 225 HA2 GLY 30 1HA GLY 30 -11.710 -9.696 -0.789 226 HA3 GLY 30 2HA GLY 30 -13.175 -8.793 -1.153 227 H LEU 31 H LEU 31 -10.144 -8.213 -2.870 228 HA LEU 31 HA LEU 31 -11.177 -9.533 -5.306 229 HB2 LEU 31 1HB LEU 31 -10.802 -7.686 -6.680 230 HB3 LEU 31 2HB LEU 31 -11.787 -7.116 -5.364 231 HG LEU 31 HG LEU 31 -8.766 -6.636 -5.550 232 HD11 LEU 31 1HD1 LEU 31 -11.141 -5.003 -6.509 233 HD12 LEU 31 2HD1 LEU 31 -9.574 -4.252 -6.134 234 HD13 LEU 31 3HD1 LEU 31 -9.678 -5.476 -7.396 235 HD21 LEU 31 3HD2 LEU 31 -9.613 -6.401 -3.267 236 HD22 LEU 31 1HD2 LEU 31 -9.230 -4.821 -3.910 237 HD23 LEU 31 2HD2 LEU 31 -10.931 -5.350 -3.838 238 H SER 32 H SER 32 -9.235 -9.210 -7.077 239 HA SER 32 HA SER 32 -6.802 -10.281 -5.725 240 HB2 SER 32 1HB SER 32 -6.847 -12.116 -7.141 241 HB3 SER 32 2HB SER 32 -8.523 -11.944 -6.632 242 HG SER 32 HG SER 32 -9.146 -11.154 -8.618 243 H LEU 33 H LEU 33 -5.052 -10.698 -7.520 244 HA LEU 33 HA LEU 33 -4.202 -8.110 -8.374 245 HB2 LEU 33 1HB LEU 33 -3.202 -10.933 -8.647 246 HB3 LEU 33 2HB LEU 33 -2.542 -9.744 -9.752 247 HG LEU 33 HG LEU 33 -1.193 -10.101 -7.688 248 HD11 LEU 33 1HD1 LEU 33 -2.224 -7.286 -8.207 249 HD12 LEU 33 2HD1 LEU 33 -0.767 -7.676 -7.282 250 HD13 LEU 33 3HD1 LEU 33 -0.881 -8.126 -8.995 251 HD21 LEU 33 3HD2 LEU 33 -3.405 -8.616 -6.211 252 HD22 LEU 33 1HD2 LEU 33 -3.008 -10.341 -6.049 253 HD23 LEU 33 2HD2 LEU 33 -1.831 -9.110 -5.576 254 H SER 34 H SER 34 -5.907 -10.692 -10.165 255 HA SER 34 HA SER 34 -5.719 -9.405 -12.728 256 HB2 SER 34 1HB SER 34 -7.730 -11.403 -11.618 257 HB3 SER 34 2HB SER 34 -7.457 -11.026 -13.330 258 HG SER 34 HG SER 34 -5.781 -12.285 -13.320 259 H ASP 35 H ASP 35 -7.672 -8.764 -9.911 260 HA ASP 35 HA ASP 35 -9.721 -7.225 -11.415 261 HB2 ASP 35 1HB ASP 35 -9.298 -7.608 -8.432 262 HB3 ASP 35 2HB ASP 35 -10.706 -6.879 -9.199 263 H PHE 36 H PHE 36 -6.916 -6.764 -9.264 264 HA PHE 36 HA PHE 36 -6.870 -3.896 -9.254 265 HB2 PHE 36 1HB PHE 36 -5.469 -5.155 -7.753 266 HB3 PHE 36 2HB PHE 36 -4.703 -6.012 -9.074 267 HD1 PHE 36 1HD PHE 36 -5.303 -2.437 -8.081 268 HD2 PHE 36 2HD PHE 36 -2.579 -5.302 -9.785 269 HE1 PHE 36 1HE PHE 36 -3.592 -0.681 -8.246 270 HE2 PHE 36 2HE PHE 36 -0.853 -3.542 -9.972 271 HZ PHE 36 HZ PHE 36 -1.335 -1.232 -9.203 272 H GLU 37 H GLU 37 -5.463 -6.269 -11.545 273 HA GLU 37 HA GLU 37 -4.278 -4.559 -13.403 274 HB2 GLU 37 1HB GLU 37 -4.400 -7.148 -13.243 275 HB3 GLU 37 2HB GLU 37 -5.920 -7.027 -14.111 276 HG2 GLU 37 1HG GLU 37 -4.216 -7.515 -15.709 277 HG3 GLU 37 2HG GLU 37 -4.653 -5.830 -15.958 278 H VAL 38 H VAL 38 -7.727 -5.341 -13.063 279 HA VAL 38 HA VAL 38 -8.595 -3.792 -15.381 280 HB VAL 38 HB VAL 38 -10.147 -4.915 -13.011 281 HG11 VAL 38 1HG1 VAL 38 -12.159 -4.541 -14.448 282 HG12 VAL 38 2HG1 VAL 38 -11.425 -3.032 -13.899 283 HG13 VAL 38 3HG1 VAL 38 -11.150 -3.592 -15.564 284 HG21 VAL 38 3HG2 VAL 38 -10.904 -6.589 -14.647 285 HG22 VAL 38 1HG2 VAL 38 -9.921 -5.818 -15.917 286 HG23 VAL 38 2HG2 VAL 38 -9.145 -6.615 -14.541 287 H LEU 39 H LEU 39 -8.583 -3.178 -11.826 288 HA LEU 39 HA LEU 39 -9.768 -0.606 -11.973 289 HB2 LEU 39 1HB LEU 39 -9.469 -1.956 -9.899 290 HB3 LEU 39 2HB LEU 39 -7.732 -1.671 -9.974 291 HG LEU 39 HG LEU 39 -8.213 0.821 -9.778 292 HD11 LEU 39 1HD1 LEU 39 -10.583 0.825 -10.483 293 HD12 LEU 39 2HD1 LEU 39 -11.009 -0.175 -9.076 294 HD13 LEU 39 3HD1 LEU 39 -10.413 1.488 -8.858 295 HD21 LEU 39 3HD2 LEU 39 -7.446 -0.422 -7.885 296 HD22 LEU 39 1HD2 LEU 39 -8.712 0.672 -7.322 297 HD23 LEU 39 2HD2 LEU 39 -9.080 -1.057 -7.553 298 H TYR 40 H TYR 40 -6.273 -1.446 -11.961 299 HA TYR 40 HA TYR 40 -5.362 1.264 -12.350 300 HB2 TYR 40 1HB TYR 40 -3.935 -0.462 -11.420 301 HB3 TYR 40 2HB TYR 40 -4.067 -1.428 -12.884 302 HD1 TYR 40 2HD TYR 40 -2.848 1.893 -11.603 303 HD2 TYR 40 1HD TYR 40 -2.530 -1.121 -14.672 304 HE1 TYR 40 2HE TYR 40 -0.870 3.067 -12.564 305 HE2 TYR 40 1HE TYR 40 -0.573 0.043 -15.621 306 HH TYR 40 HH TYR 40 0.498 2.270 -15.716 307 H GLY 41 H GLY 41 -6.292 -1.349 -14.676 308 HA2 GLY 41 1HA GLY 41 -5.410 0.127 -16.995 309 HA3 GLY 41 2HA GLY 41 -6.405 -1.327 -16.966 310 H ASN 42 H ASN 42 -8.389 0.263 -15.183 311 HA ASN 42 HA ASN 42 -9.809 1.610 -17.445 312 HB2 ASN 42 1HB ASN 42 -10.744 -0.452 -16.424 313 HB3 ASN 42 2HB ASN 42 -10.813 0.356 -14.856 314 HD21 ASN 42 1HD2 ASN 42 -12.637 1.551 -14.373 315 HD22 ASN 42 2HD2 ASN 42 -13.892 1.854 -15.595 316 H THR 43 H THR 43 -8.774 2.189 -14.102 317 HA THR 43 HA THR 43 -10.361 4.710 -14.062 318 HB THR 43 HB THR 43 -9.574 2.941 -11.729 319 HG1 THR 43 1HG THR 43 -11.920 2.410 -12.021 320 HG21 THR 43 3HG2 THR 43 -10.377 5.054 -10.937 321 HG22 THR 43 1HG2 THR 43 -11.693 5.083 -12.132 322 HG23 THR 43 2HG2 THR 43 -11.723 3.927 -10.780 323 H ALA 44 H ALA 44 -7.117 3.719 -14.056 324 HA ALA 44 HA ALA 44 -6.016 5.545 -12.148 325 HB1 ALA 44 3HB ALA 44 -4.972 3.443 -12.727 326 HB2 ALA 44 1HB ALA 44 -4.698 4.029 -14.392 327 HB3 ALA 44 2HB ALA 44 -3.878 4.804 -13.025 328 H ASP 45 H ASP 45 -7.621 7.185 -13.543 329 HA ASP 45 HA ASP 45 -6.706 8.543 -15.841 330 HB2 ASP 45 1HB ASP 45 -8.976 8.645 -15.004 331 HB3 ASP 45 2HB ASP 45 -8.446 9.408 -13.508 332 H GLU 46 H GLU 46 -6.577 9.969 -12.607 333 HA GLU 46 HA GLU 46 -3.775 10.887 -13.067 334 HB2 GLU 46 1HB GLU 46 -6.043 12.668 -12.147 335 HB3 GLU 46 2HB GLU 46 -4.337 12.997 -11.794 336 HG2 GLU 46 1HG GLU 46 -3.833 12.865 -14.247 337 HG3 GLU 46 2HG GLU 46 -5.569 12.723 -14.565 338 H ILE 47 H ILE 47 -3.248 9.113 -11.952 339 HA ILE 47 HA ILE 47 -4.345 8.513 -9.374 340 HB ILE 47 HB ILE 47 -3.584 7.010 -11.287 341 HG12 ILE 47 1HG1 ILE 47 -4.416 6.280 -9.023 342 HG13 ILE 47 2HG1 ILE 47 -3.565 5.155 -10.062 343 HG21 ILE 47 1HG2 ILE 47 -1.229 6.000 -10.907 344 HG22 ILE 47 2HG2 ILE 47 -1.417 7.475 -11.848 345 HG23 ILE 47 3HG2 ILE 47 -0.841 7.565 -10.178 346 HD11 ILE 47 3HD1 ILE 47 -2.812 4.753 -7.858 347 HD12 ILE 47 1HD1 ILE 47 -1.466 5.557 -8.659 348 HD13 ILE 47 2HD1 ILE 47 -2.484 6.451 -7.517 349 H ILE 48 H ILE 48 -3.311 8.436 -7.356 350 HA ILE 48 HA ILE 48 -1.185 10.459 -7.010 351 HB ILE 48 HB ILE 48 -3.742 10.177 -5.415 352 HG12 ILE 48 1HG1 ILE 48 -4.260 11.246 -7.532 353 HG13 ILE 48 2HG1 ILE 48 -4.402 12.373 -6.192 354 HG21 ILE 48 1HG2 ILE 48 -1.942 10.842 -3.935 355 HG22 ILE 48 2HG2 ILE 48 -1.401 12.092 -5.065 356 HG23 ILE 48 3HG2 ILE 48 -2.966 12.245 -4.236 357 HD11 ILE 48 3HD1 ILE 48 -1.998 12.274 -8.064 358 HD12 ILE 48 1HD1 ILE 48 -3.369 13.370 -8.228 359 HD13 ILE 48 2HD1 ILE 48 -2.340 13.478 -6.791 360 H LYS 49 H LYS 49 -3.123 8.016 -5.260 361 HA LYS 49 HA LYS 49 -0.623 6.817 -4.204 362 HB2 LYS 49 1HB LYS 49 -2.928 7.942 -2.618 363 HB3 LYS 49 2HB LYS 49 -2.064 6.534 -2.000 364 HG2 LYS 49 1HG LYS 49 0.032 7.728 -1.977 365 HG3 LYS 49 2HG LYS 49 -0.702 9.131 -2.790 366 HD2 LYS 49 1HD LYS 49 -2.161 9.556 -0.886 367 HD3 LYS 49 2HD LYS 49 -1.640 8.063 -0.095 368 HE2 LYS 49 1HE LYS 49 -0.552 9.992 0.927 369 HE3 LYS 49 2HE LYS 49 0.636 8.929 0.154 370 HZ1 LYS 49 3HZ LYS 49 1.021 11.294 -0.330 371 HZ2 LYS 49 1HZ LYS 49 0.832 10.391 -1.667 372 HZ3 LYS 49 2HZ LYS 49 -0.415 11.364 -1.157 373 H LEU 50 H LEU 50 -0.724 4.741 -3.701 374 HA LEU 50 HA LEU 50 -3.116 3.084 -4.307 375 HB2 LEU 50 1HB LEU 50 -1.688 3.706 -6.326 376 HB3 LEU 50 2HB LEU 50 -0.363 2.879 -5.568 377 HG LEU 50 HG LEU 50 -2.958 1.460 -6.312 378 HD11 LEU 50 1HD1 LEU 50 -1.923 2.568 -8.301 379 HD12 LEU 50 2HD1 LEU 50 -0.401 1.718 -7.948 380 HD13 LEU 50 3HD1 LEU 50 -1.867 0.816 -8.390 381 HD21 LEU 50 3HD2 LEU 50 -1.419 -0.532 -6.434 382 HD22 LEU 50 1HD2 LEU 50 -0.167 0.468 -5.661 383 HD23 LEU 50 2HD2 LEU 50 -1.684 0.091 -4.815 384 H ARG 51 H ARG 51 -3.270 1.586 -2.769 385 HA ARG 51 HA ARG 51 -0.836 0.350 -1.582 386 HB2 ARG 51 1HB ARG 51 -2.118 2.239 -0.237 387 HB3 ARG 51 2HB ARG 51 -3.280 0.980 0.112 388 HG2 ARG 51 1HG ARG 51 -0.309 0.791 0.630 389 HG3 ARG 51 2HG ARG 51 -1.462 1.343 1.829 390 HD2 ARG 51 1HD ARG 51 -1.756 -1.427 0.597 391 HD3 ARG 51 2HD ARG 51 -0.585 -1.117 1.855 392 HE ARG 51 HE ARG 51 -2.255 -0.705 3.437 393 HH11 ARG 51 2HH2 ARG 51 -3.959 -1.424 0.358 394 HH12 ARG 51 1HH2 ARG 51 -5.370 -1.904 1.273 395 HH21 ARG 51 1HH1 ARG 51 -4.175 -1.476 4.404 396 HH22 ARG 51 2HH1 ARG 51 -5.410 -2.090 3.298 397 H LEU 52 H LEU 52 -1.032 -1.413 -2.873 398 HA LEU 52 HA LEU 52 -3.406 -3.160 -2.601 399 HB2 LEU 52 1HB LEU 52 -2.440 -2.974 -4.786 400 HB3 LEU 52 2HB LEU 52 -0.848 -3.402 -4.199 401 HG LEU 52 HG LEU 52 -3.097 -5.369 -3.728 402 HD11 LEU 52 1HD1 LEU 52 -3.411 -4.654 -6.067 403 HD12 LEU 52 2HD1 LEU 52 -1.708 -5.011 -6.416 404 HD13 LEU 52 3HD1 LEU 52 -2.829 -6.318 -5.967 405 HD21 LEU 52 3HD2 LEU 52 -1.315 -7.032 -4.191 406 HD22 LEU 52 1HD2 LEU 52 -0.181 -5.734 -4.568 407 HD23 LEU 52 2HD2 LEU 52 -0.789 -5.928 -2.915 408 H ASP 53 H ASP 53 -3.455 -4.812 -1.208 409 HA ASP 53 HA ASP 53 -1.062 -5.665 0.352 410 HB2 ASP 53 1HB ASP 53 -1.991 -3.678 1.446 411 HB3 ASP 53 2HB ASP 53 -3.608 -4.389 1.449 412 H LYS 54 H LYS 54 -1.093 -7.865 0.297 413 HA LYS 54 HA LYS 54 -3.465 -9.530 0.010 414 HB2 LYS 54 1HB LYS 54 -1.197 -10.331 -0.473 415 HB3 LYS 54 2HB LYS 54 -0.726 -9.914 1.151 416 HG2 LYS 54 1HG LYS 54 -0.953 -12.335 0.805 417 HG3 LYS 54 2HG LYS 54 -1.999 -11.739 2.096 418 HD2 LYS 54 1HD LYS 54 -3.954 -11.882 0.684 419 HD3 LYS 54 2HD LYS 54 -2.975 -12.252 -0.755 420 HE2 LYS 54 1HE LYS 54 -2.195 -14.345 0.305 421 HE3 LYS 54 2HE LYS 54 -3.024 -13.906 1.806 422 HZ1 LYS 54 3HZ LYS 54 -5.122 -13.934 0.401 423 HZ2 LYS 54 1HZ LYS 54 -4.252 -14.822 -0.713 424 HZ3 LYS 54 2HZ LYS 54 -4.558 -15.328 0.833 425 H VAL 55 H VAL 55 -5.085 -9.695 1.321 426 HA VAL 55 HA VAL 55 -5.122 -8.496 3.919 427 HB VAL 55 HB VAL 55 -7.050 -10.468 2.683 428 HG11 VAL 55 1HG1 VAL 55 -7.599 -10.323 4.996 429 HG12 VAL 55 2HG1 VAL 55 -7.533 -8.530 4.943 430 HG13 VAL 55 3HG1 VAL 55 -8.787 -9.438 4.058 431 HG21 VAL 55 3HG2 VAL 55 -6.541 -7.563 2.197 432 HG22 VAL 55 1HG2 VAL 55 -7.330 -8.770 1.165 433 HG23 VAL 55 2HG2 VAL 55 -8.246 -7.970 2.428 434 H LEU 56 H LEU 56 -5.459 -9.402 5.735 435 HA LEU 56 HA LEU 56 -3.721 -11.593 6.595 436 HB2 LEU 56 1HB LEU 56 -3.836 -9.451 7.809 437 HB3 LEU 56 2HB LEU 56 -5.557 -9.698 8.112 438 HG LEU 56 HG LEU 56 -5.047 -11.643 9.547 439 HD11 LEU 56 1HD1 LEU 56 -2.933 -12.435 8.547 440 HD12 LEU 56 2HD1 LEU 56 -2.128 -10.912 8.986 441 HD13 LEU 56 3HD1 LEU 56 -2.672 -12.038 10.252 442 HD21 LEU 56 3HD2 LEU 56 -3.289 -9.335 10.428 443 HD22 LEU 56 1HD2 LEU 56 -5.053 -9.167 10.333 444 HD23 LEU 56 2HD2 LEU 56 -4.343 -10.383 11.403 445 H1 MET 1 1H MET 1 17.305 11.698 -13.248 446 H2 MET 1 2H MET 1 16.143 12.862 -13.172 447 H3 MET 1 3H MET 1 15.703 11.273 -13.275 448 HA MET 1 HA MET 1 15.408 12.084 -11.040 449 HB2 MET 1 1HB MET 1 16.170 9.672 -11.508 450 HB3 MET 1 2HB MET 1 17.801 10.227 -11.079 451 HG2 MET 1 1HG MET 1 16.218 11.331 -9.061 452 HG3 MET 1 2HG MET 1 15.399 9.835 -9.378 453 HE1 MET 1 3HE MET 1 18.023 7.132 -8.685 454 HE2 MET 1 1HE MET 1 16.302 7.581 -8.978 455 HE3 MET 1 2HE MET 1 17.604 7.885 -10.201 456 H VAL 2 H VAL 2 15.960 13.734 -9.836 457 HA VAL 2 HA VAL 2 18.836 14.573 -9.617 458 HB VAL 2 HB VAL 2 18.064 16.893 -9.314 459 HG11 VAL 2 1HG1 VAL 2 17.739 17.364 -11.674 460 HG12 VAL 2 2HG1 VAL 2 18.890 16.025 -11.488 461 HG13 VAL 2 3HG1 VAL 2 17.216 15.691 -11.980 462 HG21 VAL 2 3HG2 VAL 2 15.354 16.067 -10.425 463 HG22 VAL 2 1HG2 VAL 2 15.630 16.287 -8.689 464 HG23 VAL 2 2HG2 VAL 2 15.873 17.645 -9.789 465 H GLN 3 H GLN 3 16.084 13.494 -7.991 466 HA GLN 3 HA GLN 3 15.468 13.519 -5.770 467 HB2 GLN 3 1HB GLN 3 16.915 11.583 -6.621 468 HB3 GLN 3 2HB GLN 3 18.201 12.220 -5.597 469 HG2 GLN 3 1HG GLN 3 15.379 11.555 -4.617 470 HG3 GLN 3 2HG GLN 3 16.698 10.389 -4.616 471 HE21 GLN 3 1HE2 GLN 3 18.645 10.891 -3.223 472 HE22 GLN 3 2HE2 GLN 3 18.347 11.920 -1.819 473 H ASN 4 H ASN 4 15.291 15.565 -5.063 474 HA ASN 4 HA ASN 4 17.585 17.081 -4.122 475 HB2 ASN 4 1HB ASN 4 15.583 18.119 -5.144 476 HB3 ASN 4 2HB ASN 4 14.573 17.516 -3.812 477 HD21 ASN 4 1HD2 ASN 4 13.943 19.557 -2.978 478 HD22 ASN 4 2HD2 ASN 4 15.169 20.626 -2.274 479 H ASP 5 H ASP 5 14.713 15.880 -2.346 480 HA ASP 5 HA ASP 5 16.360 14.992 -0.088 481 HB2 ASP 5 1HB ASP 5 16.131 17.412 0.364 482 HB3 ASP 5 2HB ASP 5 14.376 17.279 0.262 483 H PHE 6 H PHE 6 15.481 13.114 -0.963 484 HA PHE 6 HA PHE 6 14.209 11.306 -1.123 485 HB2 PHE 6 1HB PHE 6 13.804 11.654 1.306 486 HB3 PHE 6 2HB PHE 6 12.360 12.574 0.911 487 HD1 PHE 6 2HD PHE 6 13.739 9.261 -0.327 488 HD2 PHE 6 1HD PHE 6 10.498 11.368 1.592 489 HE1 PHE 6 2HE PHE 6 12.486 7.141 -0.091 490 HE2 PHE 6 1HE PHE 6 9.255 9.231 1.822 491 HZ PHE 6 HZ PHE 6 10.254 7.111 0.969 492 H VAL 7 H VAL 7 13.007 14.329 -1.896 493 HA VAL 7 HA VAL 7 10.689 13.486 -3.477 494 HB VAL 7 HB VAL 7 12.095 16.123 -2.916 495 HG11 VAL 7 1HG1 VAL 7 11.062 16.217 -5.225 496 HG12 VAL 7 2HG1 VAL 7 9.497 15.831 -4.482 497 HG13 VAL 7 3HG1 VAL 7 10.353 17.324 -4.054 498 HG21 VAL 7 3HG2 VAL 7 10.117 16.626 -1.606 499 HG22 VAL 7 1HG2 VAL 7 9.288 15.162 -2.185 500 HG23 VAL 7 2HG2 VAL 7 10.681 15.034 -1.098 501 H ASP 8 H ASP 8 10.929 12.654 -5.401 502 HA ASP 8 HA ASP 8 12.402 14.191 -7.390 503 HB2 ASP 8 1HB ASP 8 14.017 12.387 -6.803 504 HB3 ASP 8 2HB ASP 8 12.828 11.169 -7.209 505 H SER 9 H SER 9 10.989 10.976 -7.645 506 HA SER 9 HA SER 9 8.550 11.875 -9.037 507 HB2 SER 9 1HB SER 9 10.409 9.868 -10.323 508 HB3 SER 9 2HB SER 9 8.999 10.680 -11.010 509 HG SER 9 HG SER 9 11.612 11.758 -10.410 510 H TYR 10 H TYR 10 7.548 9.544 -9.757 511 HA TYR 10 HA TYR 10 6.171 8.682 -7.600 512 HB2 TYR 10 1HB TYR 10 6.916 7.084 -10.061 513 HB3 TYR 10 2HB TYR 10 5.884 6.438 -8.822 514 HD1 TYR 10 2HD TYR 10 6.117 9.191 -11.352 515 HD2 TYR 10 1HD TYR 10 3.633 7.022 -8.578 516 HE1 TYR 10 2HE TYR 10 4.097 10.181 -12.396 517 HE2 TYR 10 1HE TYR 10 1.593 8.008 -9.643 518 HH TYR 10 HH TYR 10 1.795 10.278 -12.375 519 H ASP 11 H ASP 11 6.436 7.695 -5.809 520 HA ASP 11 HA ASP 11 8.730 5.928 -5.183 521 HB2 ASP 11 1HB ASP 11 7.856 7.610 -3.565 522 HB3 ASP 11 2HB ASP 11 6.305 6.810 -3.596 523 H VAL 12 H VAL 12 8.589 3.816 -5.734 524 HA VAL 12 HA VAL 12 5.960 2.494 -5.312 525 HB VAL 12 HB VAL 12 8.246 1.461 -7.044 526 HG11 VAL 12 1HG1 VAL 12 6.503 -0.260 -7.655 527 HG12 VAL 12 2HG1 VAL 12 7.069 -0.382 -5.987 528 HG13 VAL 12 3HG1 VAL 12 5.484 0.357 -6.356 529 HG21 VAL 12 3HG2 VAL 12 5.613 2.812 -7.678 530 HG22 VAL 12 1HG2 VAL 12 7.228 3.164 -8.294 531 HG23 VAL 12 2HG2 VAL 12 6.395 1.694 -8.830 532 H THR 13 H THR 13 5.910 1.190 -3.640 533 HA THR 13 HA THR 13 8.442 0.106 -2.467 534 HB THR 13 HB THR 13 6.223 1.444 -0.867 535 HG1 THR 13 1HG THR 13 7.704 3.038 -1.787 536 HG21 THR 13 3HG2 THR 13 7.223 -0.476 0.350 537 HG22 THR 13 1HG2 THR 13 8.850 0.146 -0.012 538 HG23 THR 13 2HG2 THR 13 7.760 1.063 1.044 539 H MET 14 H MET 14 8.142 -1.888 -3.279 540 HA MET 14 HA MET 14 5.505 -3.228 -2.832 541 HB2 MET 14 1HB MET 14 5.945 -2.720 -5.173 542 HB3 MET 14 2HB MET 14 7.512 -3.542 -5.100 543 HG2 MET 14 1HG MET 14 6.484 -5.672 -4.752 544 HG3 MET 14 2HG MET 14 4.927 -4.950 -4.416 545 HE1 MET 14 3HE MET 14 5.704 -3.106 -7.687 546 HE2 MET 14 1HE MET 14 7.170 -4.064 -7.349 547 HE3 MET 14 2HE MET 14 6.145 -4.458 -8.757 548 H LEU 15 H LEU 15 5.510 -5.534 -2.503 549 HA LEU 15 HA LEU 15 7.941 -6.634 -1.239 550 HB2 LEU 15 1HB LEU 15 6.211 -5.116 0.175 551 HB3 LEU 15 2HB LEU 15 5.351 -6.645 0.298 552 HG LEU 15 HG LEU 15 8.301 -6.233 1.031 553 HD11 LEU 15 1HD1 LEU 15 5.780 -6.254 2.742 554 HD12 LEU 15 2HD1 LEU 15 7.451 -6.196 3.362 555 HD13 LEU 15 3HD1 LEU 15 6.816 -4.845 2.406 556 HD21 LEU 15 3HD2 LEU 15 6.373 -8.565 1.288 557 HD22 LEU 15 1HD2 LEU 15 8.078 -8.565 0.817 558 HD23 LEU 15 2HD2 LEU 15 7.638 -8.324 2.504 559 H LEU 16 H LEU 16 8.181 -8.658 -1.728 560 HA LEU 16 HA LEU 16 5.926 -10.302 -2.818 561 HB2 LEU 16 1HB LEU 16 8.845 -10.105 -3.654 562 HB3 LEU 16 2HB LEU 16 7.736 -11.294 -4.269 563 HG LEU 16 HG LEU 16 7.766 -9.878 -5.992 564 HD11 LEU 16 1HD1 LEU 16 5.562 -8.490 -4.453 565 HD12 LEU 16 2HD1 LEU 16 5.766 -8.569 -6.206 566 HD13 LEU 16 3HD1 LEU 16 5.408 -10.056 -5.295 567 HD21 LEU 16 3HD2 LEU 16 7.945 -7.468 -5.972 568 HD22 LEU 16 1HD2 LEU 16 7.872 -7.443 -4.193 569 HD23 LEU 16 2HD2 LEU 16 9.239 -8.214 -5.021 570 H GLN 17 H GLN 17 6.673 -12.687 -2.939 571 HA GLN 17 HA GLN 17 7.956 -13.423 -0.339 572 HB2 GLN 17 1HB GLN 17 5.505 -13.443 -0.198 573 HB3 GLN 17 2HB GLN 17 5.440 -14.622 -1.517 574 HG2 GLN 17 1HG GLN 17 6.669 -16.266 -0.199 575 HG3 GLN 17 2HG GLN 17 6.955 -15.073 1.087 576 HE21 GLN 17 1HE2 GLN 17 4.547 -17.240 -0.453 577 HE22 GLN 17 2HE2 GLN 17 3.401 -17.038 0.880 578 H ASP 18 H ASP 18 9.583 -14.825 -0.444 579 HA ASP 18 HA ASP 18 10.256 -16.110 -2.991 580 HB2 ASP 18 1HB ASP 18 12.395 -16.487 -1.812 581 HB3 ASP 18 2HB ASP 18 11.917 -14.793 -1.724 582 H ASP 19 H ASP 19 11.414 -18.324 -2.572 583 HA ASP 19 HA ASP 19 9.381 -20.236 -2.081 584 HB2 ASP 19 1HB ASP 19 12.386 -20.464 -2.461 585 HB3 ASP 19 2HB ASP 19 11.303 -21.859 -2.393 586 H ASP 20 H ASP 20 11.705 -18.868 0.240 587 HA ASP 20 HA ASP 20 11.165 -21.075 2.150 588 HB2 ASP 20 1HB ASP 20 13.473 -20.020 1.754 589 HB3 ASP 20 2HB ASP 20 12.846 -18.581 2.560 590 H GLY 21 H GLY 21 9.679 -18.236 1.098 591 HA2 GLY 21 1HA GLY 21 7.835 -17.102 1.919 592 HA3 GLY 21 2HA GLY 21 7.841 -18.145 3.344 593 H LYS 22 H LYS 22 10.766 -16.341 2.528 594 HA LYS 22 HA LYS 22 10.747 -15.188 5.218 595 HB2 LYS 22 1HB LYS 22 12.738 -16.183 4.069 596 HB3 LYS 22 2HB LYS 22 12.704 -14.851 2.899 597 HG2 LYS 22 1HG LYS 22 12.992 -13.229 4.777 598 HG3 LYS 22 2HG LYS 22 13.024 -14.586 5.926 599 HD2 LYS 22 1HD LYS 22 15.052 -15.477 4.747 600 HD3 LYS 22 2HD LYS 22 14.967 -14.084 3.629 601 HE2 LYS 22 1HE LYS 22 14.940 -12.608 5.731 602 HE3 LYS 22 2HE LYS 22 15.392 -14.050 6.644 603 HZ1 LYS 22 3HZ LYS 22 17.349 -14.239 5.157 604 HZ2 LYS 22 1HZ LYS 22 16.915 -12.859 4.388 605 HZ3 LYS 22 2HZ LYS 22 17.369 -12.802 5.970 606 H GLN 23 H GLN 23 10.301 -14.052 1.993 607 HA GLN 23 HA GLN 23 9.105 -12.365 1.107 608 HB2 GLN 23 1HB GLN 23 8.836 -11.025 3.813 609 HB3 GLN 23 2HB GLN 23 8.036 -10.589 2.306 610 HG2 GLN 23 1HG GLN 23 6.929 -12.833 2.250 611 HG3 GLN 23 2HG GLN 23 7.604 -13.180 3.843 612 HE21 GLN 23 1HE2 GLN 23 7.110 -10.141 4.628 613 HE22 GLN 23 2HE2 GLN 23 5.362 -10.253 4.941 614 H TYR 24 H TYR 24 9.720 -10.595 0.008 615 HA TYR 24 HA TYR 24 12.184 -9.209 0.922 616 HB2 TYR 24 1HB TYR 24 13.275 -9.472 -1.196 617 HB3 TYR 24 2HB TYR 24 12.958 -11.028 -0.465 618 HD1 TYR 24 2HD TYR 24 11.156 -12.526 -1.393 619 HD2 TYR 24 1HD TYR 24 12.375 -8.892 -3.382 620 HE1 TYR 24 2HE TYR 24 10.259 -13.401 -3.551 621 HE2 TYR 24 1HE TYR 24 11.500 -9.775 -5.524 622 HH TYR 24 HH TYR 24 9.895 -13.039 -5.816 623 H TYR 25 H TYR 25 12.597 -7.264 0.094 624 HA TYR 25 HA TYR 25 10.114 -5.742 -0.441 625 HB2 TYR 25 1HB TYR 25 11.033 -5.727 1.820 626 HB3 TYR 25 2HB TYR 25 12.621 -5.296 1.215 627 HD1 TYR 25 1HD TYR 25 9.110 -4.024 1.528 628 HD2 TYR 25 2HD TYR 25 13.279 -3.061 1.012 629 HE1 TYR 25 1HE TYR 25 8.647 -1.653 2.161 630 HE2 TYR 25 2HE TYR 25 12.823 -0.708 1.641 631 HH TYR 25 HH TYR 25 11.253 0.778 2.367 632 H GLU 26 H GLU 26 10.033 -4.301 -1.980 633 HA GLU 26 HA GLU 26 12.411 -3.707 -3.688 634 HB2 GLU 26 1HB GLU 26 9.583 -4.559 -4.419 635 HB3 GLU 26 2HB GLU 26 10.717 -3.884 -5.578 636 HG2 GLU 26 1HG GLU 26 11.165 -6.442 -3.969 637 HG3 GLU 26 2HG GLU 26 10.606 -6.360 -5.639 638 H TYR 27 H TYR 27 12.507 -1.855 -2.315 639 HA TYR 27 HA TYR 27 10.647 0.377 -2.759 640 HB2 TYR 27 1HB TYR 27 11.719 0.373 -0.660 641 HB3 TYR 27 2HB TYR 27 13.286 -0.036 -1.350 642 HD1 TYR 27 2HD TYR 27 10.693 2.719 -1.461 643 HD2 TYR 27 1HD TYR 27 14.861 1.619 -1.750 644 HE1 TYR 27 2HE TYR 27 11.318 5.113 -1.624 645 HE2 TYR 27 1HE TYR 27 15.490 4.005 -1.911 646 HH TYR 27 HH TYR 27 14.749 6.140 -1.906 647 H HIS 28 H HIS 28 10.628 1.496 -4.536 648 HA HIS 28 HA HIS 28 13.059 2.109 -6.123 649 HB2 HIS 28 1HB HIS 28 10.539 0.795 -7.226 650 HB3 HIS 28 2HB HIS 28 11.807 1.518 -8.212 651 HD1 HIS 28 1HD HIS 28 14.253 0.252 -8.118 652 HD2 HIS 28 2HD HIS 28 10.962 -1.633 -6.287 653 HE1 HIS 28 1HE HIS 28 14.935 -2.229 -7.730 654 HE2 HIS 28 2HE HIS 28 12.944 -3.377 -6.627 655 H LYS 29 H LYS 29 12.901 4.232 -5.488 656 HA LYS 29 HA LYS 29 10.450 5.752 -6.273 657 HB2 LYS 29 1HB LYS 29 11.149 5.789 -3.904 658 HB3 LYS 29 2HB LYS 29 12.706 6.497 -4.365 659 HG2 LYS 29 1HG LYS 29 11.619 8.541 -5.123 660 HG3 LYS 29 2HG LYS 29 10.021 7.778 -5.011 661 HD2 LYS 29 1HD LYS 29 10.505 7.466 -2.514 662 HD3 LYS 29 2HD LYS 29 11.889 8.545 -2.734 663 HE2 LYS 29 1HE LYS 29 10.502 10.353 -3.412 664 HE3 LYS 29 2HE LYS 29 9.116 9.312 -3.738 665 HZ1 LYS 29 3HZ LYS 29 8.848 8.910 -1.436 666 HZ2 LYS 29 1HZ LYS 29 10.254 9.670 -1.036 667 HZ3 LYS 29 2HZ LYS 29 8.994 10.559 -1.611 668 H GLY 30 H GLY 30 10.762 7.838 -7.274 669 HA2 GLY 30 1HA GLY 30 11.898 9.422 -8.590 670 HA3 GLY 30 2HA GLY 30 13.396 8.509 -8.414 671 H LEU 31 H LEU 31 10.263 7.298 -9.582 672 HA LEU 31 HA LEU 31 11.247 7.159 -12.359 673 HB2 LEU 31 1HB LEU 31 10.573 4.802 -12.543 674 HB3 LEU 31 2HB LEU 31 11.926 5.086 -11.490 675 HG LEU 31 HG LEU 31 10.450 4.784 -9.479 676 HD11 LEU 31 1HD1 LEU 31 8.314 3.364 -10.127 677 HD12 LEU 31 2HD1 LEU 31 8.217 5.128 -10.055 678 HD13 LEU 31 3HD1 LEU 31 8.372 4.276 -11.616 679 HD21 LEU 31 3HD2 LEU 31 10.508 2.492 -11.482 680 HD22 LEU 31 1HD2 LEU 31 11.829 2.960 -10.384 681 HD23 LEU 31 2HD2 LEU 31 10.298 2.345 -9.728 682 H SER 32 H SER 32 8.966 5.777 -13.426 683 HA SER 32 HA SER 32 6.658 7.244 -12.401 684 HB2 SER 32 1HB SER 32 6.066 8.448 -14.286 685 HB3 SER 32 2HB SER 32 7.803 8.733 -14.161 686 HG SER 32 HG SER 32 8.148 7.413 -15.870 687 H LEU 33 H LEU 33 4.718 6.725 -14.142 688 HA LEU 33 HA LEU 33 4.029 4.208 -13.148 689 HB2 LEU 33 1HB LEU 33 2.806 5.880 -15.362 690 HB3 LEU 33 2HB LEU 33 2.038 4.429 -14.727 691 HG LEU 33 HG LEU 33 2.761 6.848 -13.012 692 HD11 LEU 33 1HD1 LEU 33 1.022 7.363 -14.716 693 HD12 LEU 33 2HD1 LEU 33 0.061 5.984 -14.127 694 HD13 LEU 33 3HD1 LEU 33 0.394 7.380 -13.068 695 HD21 LEU 33 3HD2 LEU 33 1.228 5.812 -11.360 696 HD22 LEU 33 1HD2 LEU 33 1.003 4.417 -12.443 697 HD23 LEU 33 2HD2 LEU 33 2.580 4.738 -11.713 698 H SER 34 H SER 34 5.370 4.873 -16.429 699 HA SER 34 HA SER 34 4.870 2.199 -17.365 700 HB2 SER 34 1HB SER 34 6.511 2.919 -19.150 701 HB3 SER 34 2HB SER 34 5.067 3.920 -18.947 702 HG SER 34 HG SER 34 7.737 4.492 -18.263 703 H ASP 35 H ASP 35 7.457 3.643 -15.431 704 HA ASP 35 HA ASP 35 9.273 1.323 -15.664 705 HB2 ASP 35 1HB ASP 35 9.206 3.845 -13.986 706 HB3 ASP 35 2HB ASP 35 10.406 2.581 -13.743 707 H PHE 36 H PHE 36 6.772 2.538 -13.454 708 HA PHE 36 HA PHE 36 7.003 0.469 -11.448 709 HB2 PHE 36 1HB PHE 36 5.619 2.259 -10.843 710 HB3 PHE 36 2HB PHE 36 4.844 2.327 -12.397 711 HD1 PHE 36 1HD PHE 36 5.225 -0.262 -9.677 712 HD2 PHE 36 2HD PHE 36 2.627 1.643 -12.549 713 HE1 PHE 36 1HE PHE 36 3.367 -1.738 -8.983 714 HE2 PHE 36 2HE PHE 36 0.763 0.188 -11.824 715 HZ PHE 36 HZ PHE 36 1.127 -1.517 -10.057 716 H GLU 37 H GLU 37 5.051 0.596 -14.521 717 HA GLU 37 HA GLU 37 4.066 -2.046 -14.339 718 HB2 GLU 37 1HB GLU 37 4.601 -0.183 -16.670 719 HB3 GLU 37 2HB GLU 37 3.913 -1.795 -16.878 720 HG2 GLU 37 1HG GLU 37 2.054 -1.272 -15.367 721 HG3 GLU 37 2HG GLU 37 2.747 0.304 -15.008 722 H VAL 38 H VAL 38 7.275 -0.966 -15.377 723 HA VAL 38 HA VAL 38 8.106 -3.569 -16.379 724 HB VAL 38 HB VAL 38 9.779 -1.246 -15.329 725 HG11 VAL 38 1HG1 VAL 38 11.455 -2.837 -16.913 726 HG12 VAL 38 2HG1 VAL 38 11.470 -2.678 -15.148 727 HG13 VAL 38 3HG1 VAL 38 10.574 -3.982 -15.935 728 HG21 VAL 38 3HG2 VAL 38 10.354 -1.284 -17.925 729 HG22 VAL 38 1HG2 VAL 38 8.769 -2.090 -18.039 730 HG23 VAL 38 2HG2 VAL 38 8.925 -0.479 -17.313 731 H LEU 39 H LEU 39 8.495 -1.995 -13.165 732 HA LEU 39 HA LEU 39 9.748 -4.225 -11.893 733 HB2 LEU 39 1HB LEU 39 9.759 -1.948 -10.990 734 HB3 LEU 39 2HB LEU 39 8.009 -1.984 -10.809 735 HG LEU 39 HG LEU 39 8.255 -3.834 -9.138 736 HD11 LEU 39 1HD1 LEU 39 10.432 -4.750 -9.737 737 HD12 LEU 39 2HD1 LEU 39 11.216 -3.210 -9.309 738 HD13 LEU 39 3HD1 LEU 39 10.431 -4.206 -8.058 739 HD21 LEU 39 3HD2 LEU 39 8.969 -2.300 -7.338 740 HD22 LEU 39 1HD2 LEU 39 9.758 -1.254 -8.556 741 HD23 LEU 39 2HD2 LEU 39 8.004 -1.452 -8.557 742 H TYR 40 H TYR 40 6.293 -3.306 -11.988 743 HA TYR 40 HA TYR 40 5.237 -5.560 -10.556 744 HB2 TYR 40 1HB TYR 40 4.015 -3.502 -10.854 745 HB3 TYR 40 2HB TYR 40 4.113 -3.622 -12.601 746 HD1 TYR 40 1HD TYR 40 2.700 -5.446 -9.621 747 HD2 TYR 40 2HD TYR 40 2.329 -4.511 -13.816 748 HE1 TYR 40 1HE TYR 40 0.463 -6.516 -9.670 749 HE2 TYR 40 2HE TYR 40 0.099 -5.575 -13.866 750 HH TYR 40 HH TYR 40 -1.261 -7.186 -12.756 751 H GLY 41 H GLY 41 5.703 -5.027 -14.125 752 HA2 GLY 41 1HA GLY 41 4.658 -7.525 -14.947 753 HA3 GLY 41 2HA GLY 41 5.752 -6.485 -15.858 754 H ASN 42 H ASN 42 7.932 -6.749 -13.719 755 HA ASN 42 HA ASN 42 8.952 -9.401 -14.553 756 HB2 ASN 42 1HB ASN 42 10.159 -6.842 -13.423 757 HB3 ASN 42 2HB ASN 42 11.053 -8.358 -13.413 758 HD21 ASN 42 1HD2 ASN 42 10.424 -5.671 -15.236 759 HD22 ASN 42 2HD2 ASN 42 10.983 -6.315 -16.799 760 H THR 43 H THR 43 7.436 -8.038 -11.792 761 HA THR 43 HA THR 43 8.531 -10.274 -10.153 762 HB THR 43 HB THR 43 8.243 -8.935 -8.142 763 HG1 THR 43 1HG THR 43 7.538 -6.925 -10.027 764 HG21 THR 43 3HG2 THR 43 10.456 -8.974 -9.260 765 HG22 THR 43 1HG2 THR 43 10.016 -7.506 -10.162 766 HG23 THR 43 2HG2 THR 43 10.150 -7.459 -8.390 767 H ALA 44 H ALA 44 6.006 -8.336 -8.925 768 HA ALA 44 HA ALA 44 4.097 -8.989 -7.857 769 HB1 ALA 44 3HB ALA 44 3.298 -8.545 -10.143 770 HB2 ALA 44 1HB ALA 44 3.469 -10.272 -10.528 771 HB3 ALA 44 2HB ALA 44 2.298 -9.744 -9.299 772 H ASP 45 H ASP 45 6.385 -11.039 -7.916 773 HA ASP 45 HA ASP 45 5.469 -13.658 -7.936 774 HB2 ASP 45 1HB ASP 45 7.760 -13.033 -8.314 775 HB3 ASP 45 2HB ASP 45 7.874 -12.306 -6.708 776 H GLU 46 H GLU 46 3.794 -14.220 -6.725 777 HA GLU 46 HA GLU 46 2.398 -14.615 -4.928 778 HB2 GLU 46 1HB GLU 46 5.092 -15.246 -3.684 779 HB3 GLU 46 2HB GLU 46 3.530 -15.682 -2.965 780 HG2 GLU 46 1HG GLU 46 2.953 -17.034 -4.913 781 HG3 GLU 46 2HG GLU 46 4.447 -16.572 -5.736 782 H ILE 47 H ILE 47 2.750 -12.042 -5.386 783 HA ILE 47 HA ILE 47 3.876 -10.380 -3.601 784 HB ILE 47 HB ILE 47 3.087 -9.691 -5.738 785 HG12 ILE 47 1HG1 ILE 47 1.590 -7.938 -3.746 786 HG13 ILE 47 2HG1 ILE 47 3.360 -8.038 -3.811 787 HG21 ILE 47 1HG2 ILE 47 0.624 -9.114 -6.079 788 HG22 ILE 47 2HG2 ILE 47 1.048 -10.823 -6.113 789 HG23 ILE 47 3HG2 ILE 47 0.291 -10.129 -4.669 790 HD11 ILE 47 3HD1 ILE 47 2.870 -6.204 -5.047 791 HD12 ILE 47 1HD1 ILE 47 3.209 -7.450 -6.263 792 HD13 ILE 47 2HD1 ILE 47 1.521 -6.966 -5.925 793 H ILE 48 H ILE 48 3.286 -8.915 -2.105 794 HA ILE 48 HA ILE 48 1.329 -9.868 -0.059 795 HB ILE 48 HB ILE 48 4.210 -8.975 0.363 796 HG12 ILE 48 1HG1 ILE 48 4.163 -11.256 -0.495 797 HG13 ILE 48 2HG1 ILE 48 4.681 -11.212 1.175 798 HG21 ILE 48 1HG2 ILE 48 3.873 -9.506 2.736 799 HG22 ILE 48 2HG2 ILE 48 2.801 -8.211 2.217 800 HG23 ILE 48 3HG2 ILE 48 2.151 -9.834 2.436 801 HD11 ILE 48 3HD1 ILE 48 3.078 -12.671 1.762 802 HD12 ILE 48 1HD1 ILE 48 1.789 -11.654 1.103 803 HD13 ILE 48 2HD1 ILE 48 2.623 -12.805 0.053 804 H LYS 49 H LYS 49 3.506 -7.109 -0.943 805 HA LYS 49 HA LYS 49 1.138 -5.337 -0.637 806 HB2 LYS 49 1HB LYS 49 3.850 -4.702 0.602 807 HB3 LYS 49 2HB LYS 49 2.498 -3.578 0.453 808 HG2 LYS 49 1HG LYS 49 1.103 -5.107 1.852 809 HG3 LYS 49 2HG LYS 49 2.538 -6.115 2.107 810 HD2 LYS 49 1HD LYS 49 3.747 -4.147 3.028 811 HD3 LYS 49 2HD LYS 49 2.263 -3.190 2.910 812 HE2 LYS 49 1HE LYS 49 2.537 -5.794 4.483 813 HE3 LYS 49 2HE LYS 49 2.769 -4.193 5.194 814 HZ1 LYS 49 3HZ LYS 49 0.231 -5.105 3.912 815 HZ2 LYS 49 1HZ LYS 49 0.489 -5.077 5.513 816 HZ3 LYS 49 2HZ LYS 49 0.468 -3.670 4.655 817 H LEU 50 H LEU 50 1.208 -3.469 -1.780 818 HA LEU 50 HA LEU 50 3.556 -2.675 -3.355 819 HB2 LEU 50 1HB LEU 50 2.835 -3.941 -5.084 820 HB3 LEU 50 2HB LEU 50 1.172 -3.943 -4.570 821 HG LEU 50 HG LEU 50 0.846 -1.674 -5.504 822 HD11 LEU 50 1HD1 LEU 50 3.199 -0.809 -5.328 823 HD12 LEU 50 2HD1 LEU 50 3.686 -1.964 -6.579 824 HD13 LEU 50 3HD1 LEU 50 2.531 -0.657 -6.948 825 HD21 LEU 50 3HD2 LEU 50 2.059 -3.659 -7.450 826 HD22 LEU 50 1HD2 LEU 50 0.393 -3.694 -6.827 827 HD23 LEU 50 2HD2 LEU 50 0.920 -2.343 -7.835 828 H ARG 51 H ARG 51 3.792 -0.789 -2.417 829 HA ARG 51 HA ARG 51 1.456 1.032 -2.352 830 HB2 ARG 51 1HB ARG 51 3.122 0.666 -0.335 831 HB3 ARG 51 2HB ARG 51 4.172 1.735 -1.279 832 HG2 ARG 51 1HG ARG 51 2.361 3.457 -1.343 833 HG3 ARG 51 2HG ARG 51 1.297 2.345 -0.466 834 HD2 ARG 51 1HD ARG 51 2.209 3.949 1.100 835 HD3 ARG 51 2HD ARG 51 2.871 2.338 1.440 836 HE ARG 51 HE ARG 51 4.492 4.017 -0.355 837 HH11 ARG 51 2HH2 ARG 51 4.028 3.156 2.987 838 HH12 ARG 51 1HH2 ARG 51 5.665 3.540 3.447 839 HH21 ARG 51 1HH1 ARG 51 6.607 4.459 0.199 840 HH22 ARG 51 2HH1 ARG 51 7.102 4.301 1.849 841 H LEU 52 H LEU 52 1.399 2.804 -3.628 842 HA LEU 52 HA LEU 52 3.845 3.711 -4.910 843 HB2 LEU 52 1HB LEU 52 3.129 2.353 -6.641 844 HB3 LEU 52 2HB LEU 52 1.456 2.801 -6.520 845 HG LEU 52 HG LEU 52 3.539 4.837 -7.374 846 HD11 LEU 52 1HD1 LEU 52 3.692 2.790 -8.812 847 HD12 LEU 52 2HD1 LEU 52 1.960 2.920 -9.152 848 HD13 LEU 52 3HD1 LEU 52 3.088 4.200 -9.676 849 HD21 LEU 52 3HD2 LEU 52 1.232 5.752 -6.897 850 HD22 LEU 52 1HD2 LEU 52 1.604 5.811 -8.615 851 HD23 LEU 52 2HD2 LEU 52 0.552 4.535 -7.989 852 H ASP 53 H ASP 53 3.958 5.881 -5.175 853 HA ASP 53 HA ASP 53 1.646 7.605 -4.444 854 HB2 ASP 53 1HB ASP 53 2.691 6.889 -2.337 855 HB3 ASP 53 2HB ASP 53 4.262 7.448 -2.901 856 H LYS 54 H LYS 54 1.581 9.167 -5.981 857 HA LYS 54 HA LYS 54 3.951 9.784 -7.579 858 HB2 LYS 54 1HB LYS 54 2.679 11.160 -8.811 859 HB3 LYS 54 2HB LYS 54 1.444 10.062 -8.232 860 HG2 LYS 54 1HG LYS 54 0.364 11.693 -7.031 861 HG3 LYS 54 2HG LYS 54 1.809 12.498 -6.513 862 HD2 LYS 54 1HD LYS 54 2.170 13.423 -8.788 863 HD3 LYS 54 2HD LYS 54 0.643 12.674 -9.317 864 HE2 LYS 54 1HE LYS 54 -0.579 13.937 -7.621 865 HE3 LYS 54 2HE LYS 54 0.919 14.594 -6.962 866 HZ1 LYS 54 3HZ LYS 54 -0.182 16.155 -8.502 867 HZ2 LYS 54 1HZ LYS 54 1.302 15.714 -9.078 868 HZ3 LYS 54 2HZ LYS 54 -0.057 15.058 -9.724 869 H VAL 55 H VAL 55 5.052 11.616 -7.833 870 HA VAL 55 HA VAL 55 5.301 13.356 -5.442 871 HB VAL 55 HB VAL 55 7.588 12.380 -7.171 872 HG11 VAL 55 1HG1 VAL 55 8.131 14.581 -6.312 873 HG12 VAL 55 2HG1 VAL 55 7.561 14.128 -4.676 874 HG13 VAL 55 3HG1 VAL 55 9.015 13.394 -5.376 875 HG21 VAL 55 3HG2 VAL 55 8.359 11.167 -5.139 876 HG22 VAL 55 1HG2 VAL 55 6.864 11.649 -4.296 877 HG23 VAL 55 2HG2 VAL 55 6.807 10.553 -5.689 878 H LEU 56 H LEU 56 6.049 15.295 -5.954 879 HA LEU 56 HA LEU 56 4.476 16.808 -7.696 880 HB2 LEU 56 1HB LEU 56 5.489 17.583 -5.550 881 HB3 LEU 56 2HB LEU 56 7.088 17.539 -6.307 882 HG LEU 56 HG LEU 56 6.371 19.324 -7.902 883 HD11 LEU 56 1HD1 LEU 56 3.820 19.316 -6.210 884 HD12 LEU 56 2HD1 LEU 56 4.259 20.565 -7.397 885 HD13 LEU 56 3HD1 LEU 56 3.930 18.921 -7.942 886 HD21 LEU 56 3HD2 LEU 56 5.934 19.951 -4.953 887 HD22 LEU 56 1HD2 LEU 56 7.506 19.877 -5.779 888 HD23 LEU 56 2HD2 LEU 56 6.333 21.130 -6.222 Start of MODEL 13 1 H1 MET 1 1H MET 1 -12.281 -12.282 -4.377 2 H2 MET 1 2H MET 1 -13.239 -12.343 -3.058 3 H3 MET 1 3H MET 1 -12.553 -10.917 -3.499 4 HA MET 1 HA MET 1 -13.813 -10.785 -5.484 5 HB2 MET 1 1HB MET 1 -13.924 -13.211 -5.874 6 HB3 MET 1 2HB MET 1 -15.141 -13.386 -4.621 7 HG2 MET 1 1HG MET 1 -15.354 -11.499 -7.029 8 HG3 MET 1 2HG MET 1 -15.896 -13.163 -7.075 9 HE1 MET 1 3HE MET 1 -17.445 -13.986 -4.906 10 HE2 MET 1 1HE MET 1 -19.069 -13.535 -5.447 11 HE3 MET 1 2HE MET 1 -17.799 -14.042 -6.639 12 H VAL 2 H VAL 2 -15.337 -12.130 -2.458 13 HA VAL 2 HA VAL 2 -17.380 -10.127 -2.444 14 HB VAL 2 HB VAL 2 -16.311 -11.887 -0.204 15 HG11 VAL 2 1HG1 VAL 2 -17.572 -9.944 0.693 16 HG12 VAL 2 2HG1 VAL 2 -18.889 -10.257 -0.459 17 HG13 VAL 2 3HG1 VAL 2 -18.533 -11.416 0.836 18 HG21 VAL 2 3HG2 VAL 2 -17.259 -13.216 -2.072 19 HG22 VAL 2 1HG2 VAL 2 -18.358 -13.227 -0.692 20 HG23 VAL 2 2HG2 VAL 2 -18.702 -12.183 -2.085 21 H GLN 3 H GLN 3 -16.737 -8.145 -2.540 22 HA GLN 3 HA GLN 3 -14.421 -7.115 -1.066 23 HB2 GLN 3 1HB GLN 3 -14.851 -6.741 -3.494 24 HB3 GLN 3 2HB GLN 3 -16.331 -5.869 -3.073 25 HG2 GLN 3 1HG GLN 3 -14.892 -4.239 -1.749 26 HG3 GLN 3 2HG GLN 3 -13.470 -5.110 -2.336 27 HE21 GLN 3 1HE2 GLN 3 -16.367 -3.245 -3.390 28 HE22 GLN 3 2HE2 GLN 3 -15.673 -2.788 -4.935 29 H ASN 4 H ASN 4 -15.258 -7.288 1.046 30 HA ASN 4 HA ASN 4 -17.006 -4.971 1.705 31 HB2 ASN 4 1HB ASN 4 -18.494 -6.917 1.568 32 HB3 ASN 4 2HB ASN 4 -17.524 -7.754 2.775 33 HD21 ASN 4 1HD2 ASN 4 -19.149 -7.745 4.217 34 HD22 ASN 4 2HD2 ASN 4 -19.725 -6.271 4.985 35 H ASP 5 H ASP 5 -15.694 -7.572 3.801 36 HA ASP 5 HA ASP 5 -14.600 -5.356 5.434 37 HB2 ASP 5 1HB ASP 5 -16.755 -6.398 6.118 38 HB3 ASP 5 2HB ASP 5 -15.913 -7.939 6.303 39 H PHE 6 H PHE 6 -12.808 -6.028 3.882 40 HA PHE 6 HA PHE 6 -10.851 -7.104 3.364 41 HB2 PHE 6 1HB PHE 6 -10.579 -7.221 6.385 42 HB3 PHE 6 2HB PHE 6 -9.276 -7.422 5.221 43 HD1 PHE 6 1HD PHE 6 -8.675 -5.505 3.674 44 HD2 PHE 6 2HD PHE 6 -11.352 -5.032 7.019 45 HE1 PHE 6 1HE PHE 6 -8.258 -3.051 3.667 46 HE2 PHE 6 2HE PHE 6 -10.940 -2.583 7.007 47 HZ PHE 6 HZ PHE 6 -9.374 -1.603 5.322 48 H VAL 7 H VAL 7 -12.678 -8.677 2.792 49 HA VAL 7 HA VAL 7 -12.406 -11.362 3.977 50 HB VAL 7 HB VAL 7 -13.709 -10.461 1.415 51 HG11 VAL 7 1HG1 VAL 7 -15.016 -12.747 2.066 52 HG12 VAL 7 2HG1 VAL 7 -13.617 -12.690 1.012 53 HG13 VAL 7 3HG1 VAL 7 -13.436 -13.109 2.704 54 HG21 VAL 7 3HG2 VAL 7 -14.880 -10.818 4.164 55 HG22 VAL 7 1HG2 VAL 7 -14.920 -9.382 3.158 56 HG23 VAL 7 2HG2 VAL 7 -15.877 -10.770 2.716 57 H ASP 8 H ASP 8 -10.987 -12.936 3.191 58 HA ASP 8 HA ASP 8 -8.704 -11.903 2.060 59 HB2 ASP 8 1HB ASP 8 -7.814 -14.155 1.989 60 HB3 ASP 8 2HB ASP 8 -8.597 -13.736 3.499 61 H SER 9 H SER 9 -7.549 -12.267 0.415 62 HA SER 9 HA SER 9 -7.699 -12.359 -2.310 63 HB2 SER 9 1HB SER 9 -9.893 -10.553 -1.238 64 HB3 SER 9 2HB SER 9 -9.176 -10.314 -2.816 65 HG SER 9 HG SER 9 -11.032 -11.975 -2.005 66 H TYR 10 H TYR 10 -7.389 -9.817 -3.076 67 HA TYR 10 HA TYR 10 -5.289 -8.640 -1.289 68 HB2 TYR 10 1HB TYR 10 -6.008 -8.112 -4.202 69 HB3 TYR 10 2HB TYR 10 -4.953 -7.090 -3.246 70 HD1 TYR 10 2HD TYR 10 -5.333 -10.608 -4.507 71 HD2 TYR 10 1HD TYR 10 -2.715 -7.623 -2.829 72 HE1 TYR 10 2HE TYR 10 -3.366 -12.124 -4.851 73 HE2 TYR 10 1HE TYR 10 -0.771 -9.109 -3.193 74 HH TYR 10 HH TYR 10 -0.094 -11.256 -3.672 75 H ASP 11 H ASP 11 -5.580 -6.614 -0.523 76 HA ASP 11 HA ASP 11 -8.153 -5.095 -0.718 77 HB2 ASP 11 1HB ASP 11 -7.592 -5.555 1.528 78 HB3 ASP 11 2HB ASP 11 -5.863 -5.294 1.262 79 H VAL 12 H VAL 12 -8.044 -3.508 -2.203 80 HA VAL 12 HA VAL 12 -5.405 -2.282 -2.905 81 HB VAL 12 HB VAL 12 -7.684 -2.902 -4.800 82 HG11 VAL 12 1HG1 VAL 12 -4.892 -1.745 -5.249 83 HG12 VAL 12 2HG1 VAL 12 -6.041 -2.223 -6.513 84 HG13 VAL 12 3HG1 VAL 12 -6.426 -0.869 -5.454 85 HG21 VAL 12 3HG2 VAL 12 -4.974 -4.192 -4.358 86 HG22 VAL 12 1HG2 VAL 12 -6.560 -4.968 -4.219 87 HG23 VAL 12 2HG2 VAL 12 -5.968 -4.460 -5.804 88 H THR 13 H THR 13 -5.389 -0.415 -1.968 89 HA THR 13 HA THR 13 -7.825 1.335 -1.933 90 HB THR 13 HB THR 13 -5.331 1.582 -0.230 91 HG1 THR 13 1HG THR 13 -6.304 -0.238 0.476 92 HG21 THR 13 3HG2 THR 13 -8.092 2.832 -0.024 93 HG22 THR 13 1HG2 THR 13 -6.815 2.945 1.205 94 HG23 THR 13 2HG2 THR 13 -6.572 3.686 -0.386 95 H MET 14 H MET 14 -7.743 2.262 -3.921 96 HA MET 14 HA MET 14 -5.208 3.563 -4.796 97 HB2 MET 14 1HB MET 14 -6.492 1.924 -6.233 98 HB3 MET 14 2HB MET 14 -7.767 3.127 -6.367 99 HG2 MET 14 1HG MET 14 -6.154 4.721 -7.374 100 HG3 MET 14 2HG MET 14 -4.860 3.540 -7.179 101 HE1 MET 14 3HE MET 14 -5.745 0.794 -9.777 102 HE2 MET 14 1HE MET 14 -4.534 1.423 -8.636 103 HE3 MET 14 2HE MET 14 -6.098 0.809 -8.039 104 H LEU 15 H LEU 15 -5.288 5.729 -5.602 105 HA LEU 15 HA LEU 15 -7.522 7.434 -4.660 106 HB2 LEU 15 1HB LEU 15 -5.249 6.960 -3.173 107 HB3 LEU 15 2HB LEU 15 -4.748 8.381 -4.086 108 HG LEU 15 HG LEU 15 -7.325 8.187 -2.465 109 HD11 LEU 15 1HD1 LEU 15 -5.286 7.943 -1.059 110 HD12 LEU 15 2HD1 LEU 15 -4.624 9.428 -1.776 111 HD13 LEU 15 3HD1 LEU 15 -6.087 9.498 -0.778 112 HD21 LEU 15 3HD2 LEU 15 -7.289 9.998 -4.235 113 HD22 LEU 15 1HD2 LEU 15 -7.319 10.632 -2.592 114 HD23 LEU 15 2HD2 LEU 15 -5.802 10.626 -3.514 115 H LEU 16 H LEU 16 -8.106 8.755 -6.199 116 HA LEU 16 HA LEU 16 -6.205 9.495 -8.389 117 HB2 LEU 16 1HB LEU 16 -9.219 9.204 -8.578 118 HB3 LEU 16 2HB LEU 16 -8.106 9.545 -9.878 119 HG LEU 16 HG LEU 16 -8.718 7.430 -10.309 120 HD11 LEU 16 1HD1 LEU 16 -6.881 5.864 -9.758 121 HD12 LEU 16 2HD1 LEU 16 -6.336 7.423 -10.428 122 HD13 LEU 16 3HD1 LEU 16 -6.187 7.036 -8.687 123 HD21 LEU 16 3HD2 LEU 16 -9.926 6.995 -8.193 124 HD22 LEU 16 1HD2 LEU 16 -9.051 5.607 -8.851 125 HD23 LEU 16 2HD2 LEU 16 -8.395 6.483 -7.452 126 H GLN 17 H GLN 17 -7.117 11.448 -9.594 127 HA GLN 17 HA GLN 17 -8.289 13.443 -7.718 128 HB2 GLN 17 1HB GLN 17 -5.795 13.592 -7.963 129 HB3 GLN 17 2HB GLN 17 -6.027 13.958 -9.677 130 HG2 GLN 17 1HG GLN 17 -7.304 15.986 -9.048 131 HG3 GLN 17 2HG GLN 17 -7.192 15.556 -7.338 132 HE21 GLN 17 1HE2 GLN 17 -5.348 16.639 -10.181 133 HE22 GLN 17 2HE2 GLN 17 -3.968 17.194 -9.224 134 H ASP 18 H ASP 18 -9.829 14.689 -8.474 135 HA ASP 18 HA ASP 18 -10.971 14.248 -11.119 136 HB2 ASP 18 1HB ASP 18 -12.215 14.616 -8.916 137 HB3 ASP 18 2HB ASP 18 -11.634 16.297 -8.965 138 H ASP 19 H ASP 19 -11.487 16.059 -12.554 139 HA ASP 19 HA ASP 19 -9.206 17.610 -13.324 140 HB2 ASP 19 1HB ASP 19 -12.157 17.757 -14.015 141 HB3 ASP 19 2HB ASP 19 -10.954 18.806 -14.767 142 H ASP 20 H ASP 20 -11.859 18.366 -11.147 143 HA ASP 20 HA ASP 20 -11.262 21.213 -10.905 144 HB2 ASP 20 1HB ASP 20 -13.487 20.090 -10.491 145 HB3 ASP 20 2HB ASP 20 -12.779 19.326 -9.066 146 H GLY 21 H GLY 21 -9.565 18.473 -9.911 147 HA2 GLY 21 1HA GLY 21 -7.568 18.458 -8.718 148 HA3 GLY 21 2HA GLY 21 -7.986 19.986 -7.936 149 H LYS 22 H LYS 22 -10.635 17.947 -7.681 150 HA LYS 22 HA LYS 22 -10.241 17.494 -4.830 151 HB2 LYS 22 1HB LYS 22 -12.362 16.405 -6.728 152 HB3 LYS 22 2HB LYS 22 -12.357 16.243 -4.972 153 HG2 LYS 22 1HG LYS 22 -12.348 18.781 -4.813 154 HG3 LYS 22 2HG LYS 22 -12.595 18.826 -6.569 155 HD2 LYS 22 1HD LYS 22 -14.622 17.356 -6.268 156 HD3 LYS 22 2HD LYS 22 -14.345 17.379 -4.527 157 HE2 LYS 22 1HE LYS 22 -16.027 18.953 -4.861 158 HE3 LYS 22 2HE LYS 22 -14.561 19.914 -4.621 159 HZ1 LYS 22 3HZ LYS 22 -15.559 19.208 -7.314 160 HZ2 LYS 22 1HZ LYS 22 -15.985 20.612 -6.549 161 HZ3 LYS 22 2HZ LYS 22 -14.436 20.340 -6.939 162 H GLN 23 H GLN 23 -9.075 15.904 -3.981 163 HA GLN 23 HA GLN 23 -8.411 13.506 -5.559 164 HB2 GLN 23 1HB GLN 23 -7.581 14.470 -2.803 165 HB3 GLN 23 2HB GLN 23 -7.108 12.907 -3.501 166 HG2 GLN 23 1HG GLN 23 -6.122 14.084 -5.460 167 HG3 GLN 23 2HG GLN 23 -6.501 15.636 -4.705 168 HE21 GLN 23 1HE2 GLN 23 -4.048 15.671 -5.204 169 HE22 GLN 23 2HE2 GLN 23 -3.060 15.161 -3.808 170 H TYR 24 H TYR 24 -9.267 11.526 -5.293 171 HA TYR 24 HA TYR 24 -11.123 11.067 -3.027 172 HB2 TYR 24 1HB TYR 24 -12.914 10.330 -4.448 173 HB3 TYR 24 2HB TYR 24 -12.500 11.993 -4.810 174 HD1 TYR 24 2HD TYR 24 -11.485 12.623 -6.964 175 HD2 TYR 24 1HD TYR 24 -12.501 8.518 -6.069 176 HE1 TYR 24 2HE TYR 24 -11.348 12.049 -9.388 177 HE2 TYR 24 1HE TYR 24 -12.374 7.954 -8.470 178 HH TYR 24 HH TYR 24 -11.908 8.741 -10.581 179 H TYR 25 H TYR 25 -11.464 9.027 -2.452 180 HA TYR 25 HA TYR 25 -9.323 7.140 -3.094 181 HB2 TYR 25 1HB TYR 25 -11.542 7.335 -1.031 182 HB3 TYR 25 2HB TYR 25 -10.671 5.835 -1.272 183 HD1 TYR 25 2HD TYR 25 -8.396 5.512 -0.688 184 HD2 TYR 25 1HD TYR 25 -10.327 9.310 -0.047 185 HE1 TYR 25 2HE TYR 25 -6.599 6.157 0.918 186 HE2 TYR 25 1HE TYR 25 -8.520 9.979 1.515 187 HH TYR 25 HH TYR 25 -6.490 9.318 2.526 188 H GLU 26 H GLU 26 -9.563 5.093 -3.705 189 HA GLU 26 HA GLU 26 -12.199 3.952 -4.483 190 HB2 GLU 26 1HB GLU 26 -9.650 4.208 -6.076 191 HB3 GLU 26 2HB GLU 26 -10.639 2.771 -6.295 192 HG2 GLU 26 1HG GLU 26 -11.658 5.631 -6.614 193 HG3 GLU 26 2HG GLU 26 -11.079 4.607 -7.932 194 H TYR 27 H TYR 27 -12.159 3.049 -2.420 195 HA TYR 27 HA TYR 27 -10.118 1.150 -1.545 196 HB2 TYR 27 1HB TYR 27 -12.953 1.796 -0.654 197 HB3 TYR 27 2HB TYR 27 -12.005 0.508 0.064 198 HD1 TYR 27 2HD TYR 27 -10.032 0.951 1.450 199 HD2 TYR 27 1HD TYR 27 -12.433 4.151 -0.180 200 HE1 TYR 27 2HE TYR 27 -9.015 2.526 3.060 201 HE2 TYR 27 1HE TYR 27 -11.402 5.741 1.450 202 HH TYR 27 HH TYR 27 -8.894 4.717 3.755 203 H HIS 28 H HIS 28 -9.948 -0.886 -2.189 204 HA HIS 28 HA HIS 28 -12.359 -2.413 -3.045 205 HB2 HIS 28 1HB HIS 28 -9.742 -2.233 -4.561 206 HB3 HIS 28 2HB HIS 28 -11.010 -3.424 -4.827 207 HD1 HIS 28 1HD HIS 28 -13.353 -2.521 -5.618 208 HD2 HIS 28 2HD HIS 28 -10.163 0.223 -5.566 209 HE1 HIS 28 1HE HIS 28 -14.172 -0.343 -6.942 210 HE2 HIS 28 2HE HIS 28 -12.290 1.299 -6.827 211 H LYS 29 H LYS 29 -12.161 -2.973 -0.850 212 HA LYS 29 HA LYS 29 -9.950 -4.492 0.231 213 HB2 LYS 29 1HB LYS 29 -12.737 -4.018 1.244 214 HB3 LYS 29 2HB LYS 29 -11.390 -4.605 2.219 215 HG2 LYS 29 1HG LYS 29 -10.221 -2.504 1.990 216 HG3 LYS 29 2HG LYS 29 -11.422 -1.850 0.884 217 HD2 LYS 29 1HD LYS 29 -12.074 -2.758 3.713 218 HD3 LYS 29 2HD LYS 29 -11.569 -1.105 3.310 219 HE2 LYS 29 1HE LYS 29 -13.482 -0.849 1.787 220 HE3 LYS 29 2HE LYS 29 -13.990 -2.515 2.104 221 HZ1 LYS 29 3HZ LYS 29 -13.881 -0.357 4.099 222 HZ2 LYS 29 1HZ LYS 29 -15.235 -1.024 3.477 223 HZ3 LYS 29 2HZ LYS 29 -14.254 -1.912 4.422 224 H GLY 30 H GLY 30 -10.363 -6.067 -1.806 225 HA2 GLY 30 1HA GLY 30 -10.617 -8.587 -1.082 226 HA3 GLY 30 2HA GLY 30 -12.336 -8.211 -1.056 227 H LEU 31 H LEU 31 -9.670 -7.556 -3.374 228 HA LEU 31 HA LEU 31 -11.113 -9.186 -5.367 229 HB2 LEU 31 1HB LEU 31 -10.818 -7.583 -7.161 230 HB3 LEU 31 2HB LEU 31 -11.903 -7.037 -5.913 231 HG LEU 31 HG LEU 31 -10.189 -5.508 -5.015 232 HD11 LEU 31 1HD1 LEU 31 -8.065 -6.514 -5.671 233 HD12 LEU 31 2HD1 LEU 31 -8.505 -6.390 -7.391 234 HD13 LEU 31 3HD1 LEU 31 -8.219 -4.935 -6.435 235 HD21 LEU 31 3HD2 LEU 31 -10.688 -5.251 -8.013 236 HD22 LEU 31 1HD2 LEU 31 -11.817 -4.771 -6.734 237 HD23 LEU 31 2HD2 LEU 31 -10.266 -3.927 -6.939 238 H SER 32 H SER 32 -9.427 -9.145 -7.501 239 HA SER 32 HA SER 32 -6.989 -10.300 -6.211 240 HB2 SER 32 1HB SER 32 -7.097 -12.130 -7.534 241 HB3 SER 32 2HB SER 32 -8.808 -11.844 -7.211 242 HG SER 32 HG SER 32 -9.138 -11.190 -9.264 243 H LEU 33 H LEU 33 -5.237 -10.759 -7.942 244 HA LEU 33 HA LEU 33 -4.240 -8.212 -8.727 245 HB2 LEU 33 1HB LEU 33 -3.413 -11.033 -9.500 246 HB3 LEU 33 2HB LEU 33 -2.508 -9.587 -9.919 247 HG LEU 33 HG LEU 33 -3.069 -10.569 -7.102 248 HD11 LEU 33 1HD1 LEU 33 -0.890 -10.993 -9.045 249 HD12 LEU 33 2HD1 LEU 33 -0.336 -10.456 -7.502 250 HD13 LEU 33 3HD1 LEU 33 -1.318 -11.903 -7.600 251 HD21 LEU 33 3HD2 LEU 33 -1.428 -8.795 -6.407 252 HD22 LEU 33 1HD2 LEU 33 -1.556 -8.111 -8.039 253 HD23 LEU 33 2HD2 LEU 33 -2.964 -8.165 -6.955 254 H SER 34 H SER 34 -6.066 -10.616 -10.626 255 HA SER 34 HA SER 34 -5.731 -9.304 -13.182 256 HB2 SER 34 1HB SER 34 -7.782 -11.237 -12.042 257 HB3 SER 34 2HB SER 34 -7.865 -10.594 -13.676 258 HG SER 34 HG SER 34 -5.822 -12.195 -12.528 259 H ASP 35 H ASP 35 -7.978 -8.880 -10.448 260 HA ASP 35 HA ASP 35 -9.741 -7.039 -11.905 261 HB2 ASP 35 1HB ASP 35 -9.456 -7.800 -8.983 262 HB3 ASP 35 2HB ASP 35 -10.714 -6.736 -9.623 263 H PHE 36 H PHE 36 -6.961 -6.834 -9.705 264 HA PHE 36 HA PHE 36 -6.921 -3.976 -9.401 265 HB2 PHE 36 1HB PHE 36 -5.541 -5.212 -7.948 266 HB3 PHE 36 2HB PHE 36 -4.866 -6.172 -9.247 267 HD1 PHE 36 1HD PHE 36 -5.104 -2.487 -8.456 268 HD2 PHE 36 2HD PHE 36 -2.667 -5.760 -9.836 269 HE1 PHE 36 1HE PHE 36 -3.174 -0.950 -8.683 270 HE2 PHE 36 2HE PHE 36 -0.735 -4.220 -10.070 271 HZ PHE 36 HZ PHE 36 -0.987 -1.818 -9.491 272 H GLU 37 H GLU 37 -5.469 -6.121 -11.953 273 HA GLU 37 HA GLU 37 -4.359 -3.977 -13.485 274 HB2 GLU 37 1HB GLU 37 -5.275 -6.798 -14.077 275 HB3 GLU 37 2HB GLU 37 -4.748 -5.757 -15.387 276 HG2 GLU 37 1HG GLU 37 -3.001 -6.119 -12.933 277 HG3 GLU 37 2HG GLU 37 -3.034 -7.327 -14.208 278 H VAL 38 H VAL 38 -7.690 -5.199 -13.341 279 HA VAL 38 HA VAL 38 -8.628 -3.520 -15.537 280 HB VAL 38 HB VAL 38 -10.145 -4.807 -13.232 281 HG11 VAL 38 1HG1 VAL 38 -11.166 -3.329 -15.678 282 HG12 VAL 38 2HG1 VAL 38 -12.163 -4.349 -14.616 283 HG13 VAL 38 3HG1 VAL 38 -11.436 -2.880 -13.980 284 HG21 VAL 38 3HG2 VAL 38 -9.701 -5.510 -16.150 285 HG22 VAL 38 1HG2 VAL 38 -9.285 -6.476 -14.740 286 HG23 VAL 38 2HG2 VAL 38 -10.969 -6.247 -15.166 287 H LEU 39 H LEU 39 -8.625 -3.112 -11.957 288 HA LEU 39 HA LEU 39 -9.727 -0.507 -11.917 289 HB2 LEU 39 1HB LEU 39 -9.357 -2.096 -9.995 290 HB3 LEU 39 2HB LEU 39 -7.640 -1.752 -10.079 291 HG LEU 39 HG LEU 39 -8.181 0.684 -9.559 292 HD11 LEU 39 1HD1 LEU 39 -10.904 -0.505 -8.863 293 HD12 LEU 39 2HD1 LEU 39 -10.362 1.169 -8.554 294 HD13 LEU 39 3HD1 LEU 39 -10.608 0.589 -10.203 295 HD21 LEU 39 3HD2 LEU 39 -7.403 -1.014 -7.888 296 HD22 LEU 39 1HD2 LEU 39 -8.453 0.218 -7.168 297 HD23 LEU 39 2HD2 LEU 39 -9.085 -1.412 -7.528 298 H TYR 40 H TYR 40 -6.275 -1.456 -12.081 299 HA TYR 40 HA TYR 40 -5.277 1.225 -12.238 300 HB2 TYR 40 1HB TYR 40 -4.059 -0.691 -11.332 301 HB3 TYR 40 2HB TYR 40 -4.067 -1.464 -12.912 302 HD1 TYR 40 2HD TYR 40 -3.229 2.065 -11.787 303 HD2 TYR 40 1HD TYR 40 -1.884 -1.578 -13.688 304 HE1 TYR 40 2HE TYR 40 -1.078 3.157 -12.370 305 HE2 TYR 40 1HE TYR 40 0.267 -0.492 -14.253 306 HH TYR 40 HH TYR 40 1.373 1.578 -14.390 307 H GLY 41 H GLY 41 -6.668 -0.832 -14.656 308 HA2 GLY 41 1HA GLY 41 -5.474 0.683 -16.910 309 HA3 GLY 41 2HA GLY 41 -6.503 -0.750 -17.006 310 H ASN 42 H ASN 42 -8.667 0.184 -15.386 311 HA ASN 42 HA ASN 42 -9.957 1.919 -17.400 312 HB2 ASN 42 1HB ASN 42 -10.769 -0.414 -16.752 313 HB3 ASN 42 2HB ASN 42 -11.142 0.221 -15.149 314 HD21 ASN 42 1HD2 ASN 42 -11.829 0.780 -18.655 315 HD22 ASN 42 2HD2 ASN 42 -13.456 1.366 -18.313 316 H THR 43 H THR 43 -9.190 1.895 -13.961 317 HA THR 43 HA THR 43 -11.037 4.172 -13.481 318 HB THR 43 HB THR 43 -9.907 2.180 -11.510 319 HG1 THR 43 1HG THR 43 -12.396 2.103 -12.826 320 HG21 THR 43 3HG2 THR 43 -11.921 4.336 -11.308 321 HG22 THR 43 1HG2 THR 43 -12.376 2.809 -10.575 322 HG23 THR 43 2HG2 THR 43 -10.900 3.612 -10.077 323 H ALA 44 H ALA 44 -7.725 3.466 -13.598 324 HA ALA 44 HA ALA 44 -6.705 5.162 -11.592 325 HB1 ALA 44 3HB ALA 44 -5.520 3.283 -12.537 326 HB2 ALA 44 1HB ALA 44 -5.384 4.133 -14.096 327 HB3 ALA 44 2HB ALA 44 -4.565 4.765 -12.646 328 H ASP 45 H ASP 45 -8.607 6.700 -12.900 329 HA ASP 45 HA ASP 45 -7.549 8.345 -14.977 330 HB2 ASP 45 1HB ASP 45 -9.922 7.715 -14.694 331 HB3 ASP 45 2HB ASP 45 -10.015 8.742 -13.258 332 H GLU 46 H GLU 46 -5.759 9.320 -14.380 333 HA GLU 46 HA GLU 46 -4.233 10.702 -13.450 334 HB2 GLU 46 1HB GLU 46 -6.589 12.401 -12.586 335 HB3 GLU 46 2HB GLU 46 -4.886 12.837 -12.437 336 HG2 GLU 46 1HG GLU 46 -4.676 12.401 -14.950 337 HG3 GLU 46 2HG GLU 46 -6.441 12.329 -15.007 338 H ILE 47 H ILE 47 -3.903 8.758 -12.280 339 HA ILE 47 HA ILE 47 -4.652 8.487 -9.568 340 HB ILE 47 HB ILE 47 -3.914 6.672 -11.040 341 HG12 ILE 47 1HG1 ILE 47 -2.145 6.816 -8.566 342 HG13 ILE 47 2HG1 ILE 47 -3.890 6.603 -8.488 343 HG21 ILE 47 1HG2 ILE 47 -1.761 6.339 -11.814 344 HG22 ILE 47 2HG2 ILE 47 -1.828 8.090 -11.895 345 HG23 ILE 47 3HG2 ILE 47 -1.017 7.321 -10.556 346 HD11 ILE 47 3HD1 ILE 47 -2.825 4.516 -8.286 347 HD12 ILE 47 1HD1 ILE 47 -3.705 4.551 -9.826 348 HD13 ILE 47 2HD1 ILE 47 -1.929 4.732 -9.803 349 H ILE 48 H ILE 48 -3.447 8.483 -7.752 350 HA ILE 48 HA ILE 48 -1.304 10.515 -7.479 351 HB ILE 48 HB ILE 48 -3.736 10.373 -5.683 352 HG12 ILE 48 1HG1 ILE 48 -4.342 11.456 -7.784 353 HG13 ILE 48 2HG1 ILE 48 -4.357 12.566 -6.457 354 HG21 ILE 48 1HG2 ILE 48 -1.567 10.977 -4.541 355 HG22 ILE 48 2HG2 ILE 48 -1.453 12.345 -5.585 356 HG23 ILE 48 3HG2 ILE 48 -2.796 12.217 -4.466 357 HD11 ILE 48 3HD1 ILE 48 -2.037 12.400 -8.389 358 HD12 ILE 48 1HD1 ILE 48 -3.371 13.479 -8.594 359 HD13 ILE 48 2HD1 ILE 48 -2.332 13.632 -7.205 360 H LYS 49 H LYS 49 -3.251 8.053 -5.661 361 HA LYS 49 HA LYS 49 -0.647 6.874 -4.794 362 HB2 LYS 49 1HB LYS 49 -2.975 7.045 -2.875 363 HB3 LYS 49 2HB LYS 49 -1.316 6.551 -2.568 364 HG2 LYS 49 1HG LYS 49 -0.662 8.966 -3.179 365 HG3 LYS 49 2HG LYS 49 -2.387 9.339 -3.081 366 HD2 LYS 49 1HD LYS 49 -2.394 8.459 -0.730 367 HD3 LYS 49 2HD LYS 49 -0.642 8.184 -0.884 368 HE2 LYS 49 1HE LYS 49 -0.592 10.632 -1.768 369 HE3 LYS 49 2HE LYS 49 -2.154 10.810 -1.032 370 HZ1 LYS 49 3HZ LYS 49 0.105 9.714 0.477 371 HZ2 LYS 49 1HZ LYS 49 -0.021 11.315 0.293 372 HZ3 LYS 49 2HZ LYS 49 -1.227 10.482 1.064 373 H LEU 50 H LEU 50 -0.691 4.779 -4.071 374 HA LEU 50 HA LEU 50 -3.039 3.063 -4.517 375 HB2 LEU 50 1HB LEU 50 -2.143 3.022 -6.712 376 HB3 LEU 50 2HB LEU 50 -0.497 2.999 -6.094 377 HG LEU 50 HG LEU 50 -0.709 0.705 -5.349 378 HD11 LEU 50 1HD1 LEU 50 -3.340 0.623 -6.847 379 HD12 LEU 50 2HD1 LEU 50 -2.558 -0.683 -5.954 380 HD13 LEU 50 3HD1 LEU 50 -3.248 0.687 -5.090 381 HD21 LEU 50 3HD2 LEU 50 -1.413 1.196 -8.269 382 HD22 LEU 50 1HD2 LEU 50 0.209 1.272 -7.562 383 HD23 LEU 50 2HD2 LEU 50 -0.654 -0.270 -7.605 384 H ARG 51 H ARG 51 -3.188 1.824 -2.854 385 HA ARG 51 HA ARG 51 -0.763 0.515 -1.683 386 HB2 ARG 51 1HB ARG 51 -3.317 1.559 -0.485 387 HB3 ARG 51 2HB ARG 51 -2.642 0.100 0.204 388 HG2 ARG 51 1HG ARG 51 -0.915 2.579 -0.173 389 HG3 ARG 51 2HG ARG 51 -2.047 2.481 1.174 390 HD2 ARG 51 1HD ARG 51 0.145 0.453 0.627 391 HD3 ARG 51 2HD ARG 51 0.222 1.762 1.811 392 HE ARG 51 HE ARG 51 -1.823 0.743 2.877 393 HH11 ARG 51 2HH2 ARG 51 0.398 -1.465 1.172 394 HH12 ARG 51 1HH2 ARG 51 -0.328 -2.829 2.059 395 HH21 ARG 51 1HH1 ARG 51 -2.578 -1.156 3.879 396 HH22 ARG 51 2HH1 ARG 51 -1.756 -2.656 3.419 397 H LEU 52 H LEU 52 -0.730 -1.632 -1.876 398 HA LEU 52 HA LEU 52 -3.248 -3.094 -2.333 399 HB2 LEU 52 1HB LEU 52 -2.602 -2.715 -4.526 400 HB3 LEU 52 2HB LEU 52 -0.925 -3.068 -4.258 401 HG LEU 52 HG LEU 52 -2.999 -5.250 -3.883 402 HD11 LEU 52 1HD1 LEU 52 -2.652 -5.841 -6.260 403 HD12 LEU 52 2HD1 LEU 52 -3.353 -4.226 -6.125 404 HD13 LEU 52 3HD1 LEU 52 -1.629 -4.407 -6.481 405 HD21 LEU 52 3HD2 LEU 52 -0.082 -5.262 -4.770 406 HD22 LEU 52 1HD2 LEU 52 -0.657 -5.796 -3.185 407 HD23 LEU 52 2HD2 LEU 52 -1.116 -6.693 -4.629 408 H ASP 53 H ASP 53 -3.378 -4.855 -1.178 409 HA ASP 53 HA ASP 53 -0.987 -5.929 0.244 410 HB2 ASP 53 1HB ASP 53 -2.510 -3.900 1.210 411 HB3 ASP 53 2HB ASP 53 -3.522 -5.231 1.729 412 H LYS 54 H LYS 54 -1.039 -8.156 -0.045 413 HA LYS 54 HA LYS 54 -3.481 -9.658 -0.523 414 HB2 LYS 54 1HB LYS 54 -1.250 -10.475 -1.127 415 HB3 LYS 54 2HB LYS 54 -0.790 -10.354 0.554 416 HG2 LYS 54 1HG LYS 54 -1.122 -12.667 -0.074 417 HG3 LYS 54 2HG LYS 54 -2.282 -12.199 1.166 418 HD2 LYS 54 1HD LYS 54 -4.055 -11.965 -0.587 419 HD3 LYS 54 2HD LYS 54 -2.853 -12.360 -1.819 420 HE2 LYS 54 1HE LYS 54 -4.103 -14.363 -1.368 421 HE3 LYS 54 2HE LYS 54 -2.458 -14.555 -0.763 422 HZ1 LYS 54 3HZ LYS 54 -3.625 -15.247 1.105 423 HZ2 LYS 54 1HZ LYS 54 -3.670 -13.710 1.472 424 HZ3 LYS 54 2HZ LYS 54 -4.939 -14.325 0.772 425 H VAL 55 H VAL 55 -5.089 -9.597 0.825 426 HA VAL 55 HA VAL 55 -4.969 -9.494 3.731 427 HB VAL 55 HB VAL 55 -7.181 -10.438 1.932 428 HG11 VAL 55 1HG1 VAL 55 -7.350 -9.306 4.703 429 HG12 VAL 55 2HG1 VAL 55 -8.709 -9.743 3.638 430 HG13 VAL 55 3HG1 VAL 55 -7.636 -10.998 4.230 431 HG21 VAL 55 3HG2 VAL 55 -8.004 -8.277 1.620 432 HG22 VAL 55 1HG2 VAL 55 -7.177 -7.646 3.032 433 HG23 VAL 55 2HG2 VAL 55 -6.310 -7.924 1.565 434 H LEU 56 H LEU 56 -5.395 -11.154 4.982 435 HA LEU 56 HA LEU 56 -4.613 -13.028 5.980 436 HB2 LEU 56 1HB LEU 56 -6.840 -13.694 5.023 437 HB3 LEU 56 2HB LEU 56 -5.980 -14.375 3.642 438 HG LEU 56 HG LEU 56 -4.793 -15.930 5.181 439 HD11 LEU 56 1HD1 LEU 56 -5.426 -16.279 7.434 440 HD12 LEU 56 2HD1 LEU 56 -5.174 -14.554 7.322 441 HD13 LEU 56 3HD1 LEU 56 -6.784 -15.153 7.293 442 HD21 LEU 56 3HD2 LEU 56 -6.768 -17.356 5.544 443 HD22 LEU 56 1HD2 LEU 56 -7.828 -15.948 5.309 444 HD23 LEU 56 2HD2 LEU 56 -6.853 -16.559 3.968 445 H1 MET 1 1H MET 1 2.538 13.961 4.036 446 H2 MET 1 2H MET 1 2.302 12.584 4.927 447 H3 MET 1 3H MET 1 3.428 12.654 3.736 448 HA MET 1 HA MET 1 4.202 14.692 5.262 449 HB2 MET 1 1HB MET 1 4.238 13.929 7.530 450 HB3 MET 1 2HB MET 1 2.570 13.893 6.981 451 HG2 MET 1 1HG MET 1 4.379 11.465 7.193 452 HG3 MET 1 2HG MET 1 3.209 11.982 8.383 453 HE1 MET 1 3HE MET 1 2.988 9.715 8.297 454 HE2 MET 1 1HE MET 1 1.650 8.909 7.472 455 HE3 MET 1 2HE MET 1 3.279 8.942 6.720 456 H VAL 2 H VAL 2 6.234 14.427 6.077 457 HA VAL 2 HA VAL 2 8.391 14.097 5.628 458 HB VAL 2 HB VAL 2 9.300 12.108 6.661 459 HG11 VAL 2 1HG1 VAL 2 8.416 12.484 8.830 460 HG12 VAL 2 2HG1 VAL 2 8.453 14.021 7.960 461 HG13 VAL 2 3HG1 VAL 2 6.912 13.159 8.180 462 HG21 VAL 2 3HG2 VAL 2 6.471 11.007 6.623 463 HG22 VAL 2 1HG2 VAL 2 7.938 10.249 6.043 464 HG23 VAL 2 2HG2 VAL 2 7.663 10.482 7.768 465 H GLN 3 H GLN 3 6.978 13.660 3.182 466 HA GLN 3 HA GLN 3 8.932 11.877 1.821 467 HB2 GLN 3 1HB GLN 3 6.505 11.486 1.477 468 HB3 GLN 3 2HB GLN 3 6.375 13.106 0.766 469 HG2 GLN 3 1HG GLN 3 8.116 12.425 -0.939 470 HG3 GLN 3 2HG GLN 3 8.154 10.816 -0.208 471 HE21 GLN 3 1HE2 GLN 3 6.756 9.292 -1.154 472 HE22 GLN 3 2HE2 GLN 3 5.366 9.749 -2.136 473 H ASN 4 H ASN 4 10.496 13.482 2.465 474 HA ASN 4 HA ASN 4 10.575 15.837 0.616 475 HB2 ASN 4 1HB ASN 4 9.579 16.222 2.953 476 HB3 ASN 4 2HB ASN 4 11.192 15.871 3.580 477 HD21 ASN 4 1HD2 ASN 4 12.225 17.767 4.038 478 HD22 ASN 4 2HD2 ASN 4 12.096 19.200 3.017 479 H ASP 5 H ASP 5 12.236 13.177 1.199 480 HA ASP 5 HA ASP 5 14.878 14.520 1.616 481 HB2 ASP 5 1HB ASP 5 14.002 13.027 3.384 482 HB3 ASP 5 2HB ASP 5 14.009 11.687 2.228 483 H PHE 6 H PHE 6 13.425 11.836 -0.148 484 HA PHE 6 HA PHE 6 15.627 11.973 -2.147 485 HB2 PHE 6 1HB PHE 6 14.924 9.671 -2.729 486 HB3 PHE 6 2HB PHE 6 15.522 9.875 -1.102 487 HD1 PHE 6 2HD PHE 6 12.202 9.776 -2.957 488 HD2 PHE 6 1HD PHE 6 14.384 8.905 0.666 489 HE1 PHE 6 2HE PHE 6 10.281 8.468 -2.107 490 HE2 PHE 6 1HE PHE 6 12.461 7.582 1.499 491 HZ PHE 6 HZ PHE 6 10.417 7.331 0.090 492 H VAL 7 H VAL 7 12.854 13.378 -1.780 493 HA VAL 7 HA VAL 7 11.023 12.522 -3.633 494 HB VAL 7 HB VAL 7 10.580 13.912 -1.710 495 HG11 VAL 7 1HG1 VAL 7 10.868 16.300 -1.644 496 HG12 VAL 7 2HG1 VAL 7 12.456 15.563 -1.899 497 HG13 VAL 7 3HG1 VAL 7 11.599 16.327 -3.245 498 HG21 VAL 7 3HG2 VAL 7 8.918 13.724 -3.468 499 HG22 VAL 7 1HG2 VAL 7 8.828 15.305 -2.689 500 HG23 VAL 7 2HG2 VAL 7 9.566 15.155 -4.294 501 H ASP 8 H ASP 8 11.027 12.384 -5.727 502 HA ASP 8 HA ASP 8 11.589 14.746 -7.367 503 HB2 ASP 8 1HB ASP 8 12.982 13.328 -8.963 504 HB3 ASP 8 2HB ASP 8 13.719 13.892 -7.483 505 H SER 9 H SER 9 11.193 11.359 -7.958 506 HA SER 9 HA SER 9 8.555 11.753 -9.339 507 HB2 SER 9 1HB SER 9 10.919 10.111 -10.297 508 HB3 SER 9 2HB SER 9 9.316 9.994 -10.952 509 HG SER 9 HG SER 9 9.394 12.158 -11.647 510 H TYR 10 H TYR 10 7.683 9.358 -9.841 511 HA TYR 10 HA TYR 10 6.358 8.806 -7.552 512 HB2 TYR 10 1HB TYR 10 6.988 6.933 -9.868 513 HB3 TYR 10 2HB TYR 10 5.922 6.492 -8.574 514 HD1 TYR 10 2HD TYR 10 6.331 9.147 -11.240 515 HD2 TYR 10 1HD TYR 10 3.696 6.952 -8.621 516 HE1 TYR 10 2HE TYR 10 4.375 10.097 -12.423 517 HE2 TYR 10 1HE TYR 10 1.730 7.910 -9.805 518 HH TYR 10 HH TYR 10 2.053 10.056 -12.621 519 H ASP 11 H ASP 11 6.478 7.651 -5.807 520 HA ASP 11 HA ASP 11 8.958 6.131 -5.140 521 HB2 ASP 11 1HB ASP 11 8.614 7.974 -3.695 522 HB3 ASP 11 2HB ASP 11 6.881 7.623 -3.535 523 H VAL 12 H VAL 12 8.694 4.051 -5.719 524 HA VAL 12 HA VAL 12 6.193 2.687 -4.897 525 HB VAL 12 HB VAL 12 8.372 1.663 -6.748 526 HG11 VAL 12 1HG1 VAL 12 5.657 0.559 -5.902 527 HG12 VAL 12 2HG1 VAL 12 6.599 -0.068 -7.247 528 HG13 VAL 12 3HG1 VAL 12 7.251 -0.186 -5.618 529 HG21 VAL 12 3HG2 VAL 12 6.668 1.956 -8.513 530 HG22 VAL 12 1HG2 VAL 12 5.564 2.681 -7.322 531 HG23 VAL 12 2HG2 VAL 12 7.052 3.517 -7.763 532 H THR 13 H THR 13 6.242 1.300 -3.294 533 HA THR 13 HA THR 13 8.816 0.123 -2.354 534 HB THR 13 HB THR 13 6.739 1.276 -0.457 535 HG1 THR 13 1HG THR 13 8.228 2.777 -1.731 536 HG21 THR 13 3HG2 THR 13 8.542 0.955 1.205 537 HG22 THR 13 1HG2 THR 13 8.099 -0.607 0.487 538 HG23 THR 13 2HG2 THR 13 9.578 0.235 -0.037 539 H MET 14 H MET 14 8.468 -1.910 -2.993 540 HA MET 14 HA MET 14 5.838 -3.184 -2.357 541 HB2 MET 14 1HB MET 14 6.152 -2.625 -4.742 542 HB3 MET 14 2HB MET 14 7.665 -3.534 -4.771 543 HG2 MET 14 1HG MET 14 6.484 -5.618 -4.388 544 HG3 MET 14 2HG MET 14 4.986 -4.760 -4.043 545 HE1 MET 14 3HE MET 14 7.621 -5.831 -6.388 546 HE2 MET 14 1HE MET 14 6.796 -6.034 -7.958 547 HE3 MET 14 2HE MET 14 7.471 -4.467 -7.468 548 H LEU 15 H LEU 15 5.936 -5.494 -1.928 549 HA LEU 15 HA LEU 15 8.600 -6.660 -1.726 550 HB2 LEU 15 1HB LEU 15 8.449 -7.320 0.621 551 HB3 LEU 15 2HB LEU 15 8.397 -5.583 0.429 552 HG LEU 15 HG LEU 15 5.782 -5.979 0.496 553 HD11 LEU 15 1HD1 LEU 15 5.023 -7.852 1.617 554 HD12 LEU 15 2HD1 LEU 15 6.415 -8.610 0.833 555 HD13 LEU 15 3HD1 LEU 15 6.515 -8.100 2.480 556 HD21 LEU 15 3HD2 LEU 15 7.620 -6.089 2.912 557 HD22 LEU 15 1HD2 LEU 15 7.015 -4.618 2.128 558 HD23 LEU 15 2HD2 LEU 15 5.900 -5.691 2.990 559 H LEU 16 H LEU 16 8.633 -8.825 -1.328 560 HA LEU 16 HA LEU 16 6.366 -10.340 -2.540 561 HB2 LEU 16 1HB LEU 16 9.150 -9.709 -3.437 562 HB3 LEU 16 2HB LEU 16 8.824 -11.410 -3.428 563 HG LEU 16 HG LEU 16 8.491 -10.415 -5.598 564 HD11 LEU 16 1HD1 LEU 16 6.093 -11.287 -5.946 565 HD12 LEU 16 2HD1 LEU 16 7.329 -12.400 -5.355 566 HD13 LEU 16 3HD1 LEU 16 6.174 -11.703 -4.263 567 HD21 LEU 16 3HD2 LEU 16 6.672 -8.969 -6.168 568 HD22 LEU 16 1HD2 LEU 16 6.138 -8.906 -4.475 569 HD23 LEU 16 2HD2 LEU 16 7.684 -8.188 -4.955 570 H GLN 17 H GLN 17 6.574 -12.688 -2.217 571 HA GLN 17 HA GLN 17 8.219 -13.443 0.154 572 HB2 GLN 17 1HB GLN 17 5.765 -13.613 0.445 573 HB3 GLN 17 2HB GLN 17 5.691 -14.682 -0.961 574 HG2 GLN 17 1HG GLN 17 7.261 -16.267 0.266 575 HG3 GLN 17 2HG GLN 17 7.137 -15.192 1.664 576 HE21 GLN 17 1HE2 GLN 17 5.299 -15.401 3.010 577 HE22 GLN 17 2HE2 GLN 17 3.993 -16.507 2.576 578 H ASP 18 H ASP 18 9.661 -15.094 -0.045 579 HA ASP 18 HA ASP 18 9.690 -16.854 -2.362 580 HB2 ASP 18 1HB ASP 18 10.784 -14.619 -3.034 581 HB3 ASP 18 2HB ASP 18 12.040 -14.974 -1.847 582 H ASP 19 H ASP 19 11.864 -18.108 -2.195 583 HA ASP 19 HA ASP 19 13.075 -19.676 -1.002 584 HB2 ASP 19 1HB ASP 19 14.368 -17.608 -1.476 585 HB3 ASP 19 2HB ASP 19 14.044 -17.052 0.168 586 H ASP 20 H ASP 20 11.370 -20.613 0.071 587 HA ASP 20 HA ASP 20 10.608 -21.852 1.778 588 HB2 ASP 20 1HB ASP 20 13.079 -21.507 2.638 589 HB3 ASP 20 2HB ASP 20 12.329 -20.401 3.808 590 H GLY 21 H GLY 21 10.031 -18.691 1.395 591 HA2 GLY 21 1HA GLY 21 7.785 -17.880 1.881 592 HA3 GLY 21 2HA GLY 21 7.846 -18.687 3.446 593 H LYS 22 H LYS 22 10.768 -17.095 2.558 594 HA LYS 22 HA LYS 22 10.412 -15.048 4.649 595 HB2 LYS 22 1HB LYS 22 12.700 -15.675 2.734 596 HB3 LYS 22 2HB LYS 22 12.719 -14.386 3.950 597 HG2 LYS 22 1HG LYS 22 12.239 -16.142 5.717 598 HG3 LYS 22 2HG LYS 22 12.494 -17.385 4.498 599 HD2 LYS 22 1HD LYS 22 14.500 -15.262 5.364 600 HD3 LYS 22 2HD LYS 22 14.517 -16.943 5.887 601 HE2 LYS 22 1HE LYS 22 14.881 -15.985 3.007 602 HE3 LYS 22 2HE LYS 22 16.184 -16.440 4.106 603 HZ1 LYS 22 3HZ LYS 22 15.576 -18.249 2.611 604 HZ2 LYS 22 1HZ LYS 22 15.183 -18.690 4.183 605 HZ3 LYS 22 2HZ LYS 22 14.041 -18.219 3.083 606 H GLN 23 H GLN 23 10.228 -12.893 4.265 607 HA GLN 23 HA GLN 23 9.275 -12.169 1.573 608 HB2 GLN 23 1HB GLN 23 9.144 -10.774 4.254 609 HB3 GLN 23 2HB GLN 23 8.655 -10.001 2.731 610 HG2 GLN 23 1HG GLN 23 7.012 -11.771 2.294 611 HG3 GLN 23 2HG GLN 23 7.517 -12.637 3.750 612 HE21 GLN 23 1HE2 GLN 23 5.240 -12.525 4.402 613 HE22 GLN 23 2HE2 GLN 23 4.710 -11.014 5.145 614 H TYR 24 H TYR 24 10.169 -10.647 0.287 615 HA TYR 24 HA TYR 24 12.634 -9.299 1.233 616 HB2 TYR 24 1HB TYR 24 13.897 -9.802 -0.627 617 HB3 TYR 24 2HB TYR 24 13.189 -11.334 -0.168 618 HD1 TYR 24 1HD TYR 24 13.157 -8.559 -2.639 619 HD2 TYR 24 2HD TYR 24 11.633 -12.495 -1.686 620 HE1 TYR 24 1HE TYR 24 12.523 -8.903 -5.000 621 HE2 TYR 24 2HE TYR 24 11.046 -12.814 -4.114 622 HH TYR 24 HH TYR 24 11.904 -10.419 -6.569 623 H TYR 25 H TYR 25 13.141 -7.372 0.156 624 HA TYR 25 HA TYR 25 10.636 -5.890 -0.355 625 HB2 TYR 25 1HB TYR 25 11.771 -5.839 1.849 626 HB3 TYR 25 2HB TYR 25 13.234 -5.261 1.078 627 HD1 TYR 25 2HD TYR 25 9.751 -4.410 2.013 628 HD2 TYR 25 1HD TYR 25 13.570 -2.946 0.645 629 HE1 TYR 25 2HE TYR 25 9.139 -2.106 2.760 630 HE2 TYR 25 1HE TYR 25 12.976 -0.663 1.414 631 HH TYR 25 HH TYR 25 11.387 0.640 2.414 632 H GLU 26 H GLU 26 10.527 -4.262 -1.766 633 HA GLU 26 HA GLU 26 12.743 -3.758 -3.688 634 HB2 GLU 26 1HB GLU 26 9.882 -4.642 -4.193 635 HB3 GLU 26 2HB GLU 26 10.881 -3.921 -5.433 636 HG2 GLU 26 1HG GLU 26 11.560 -6.501 -3.944 637 HG3 GLU 26 2HG GLU 26 10.766 -6.402 -5.518 638 H TYR 27 H TYR 27 12.941 -1.870 -2.408 639 HA TYR 27 HA TYR 27 10.981 0.307 -2.672 640 HB2 TYR 27 1HB TYR 27 12.148 0.223 -0.640 641 HB3 TYR 27 2HB TYR 27 13.686 -0.122 -1.422 642 HD1 TYR 27 2HD TYR 27 11.068 2.639 -1.572 643 HD2 TYR 27 1HD TYR 27 15.241 1.530 -1.311 644 HE1 TYR 27 2HE TYR 27 11.677 5.016 -1.352 645 HE2 TYR 27 1HE TYR 27 15.855 3.929 -1.052 646 HH TYR 27 HH TYR 27 13.413 6.521 -0.926 647 H HIS 28 H HIS 28 10.870 1.547 -4.386 648 HA HIS 28 HA HIS 28 13.172 2.081 -6.167 649 HB2 HIS 28 1HB HIS 28 10.584 0.734 -7.039 650 HB3 HIS 28 2HB HIS 28 11.771 1.441 -8.142 651 HD1 HIS 28 1HD HIS 28 14.255 0.244 -8.154 652 HD2 HIS 28 2HD HIS 28 11.049 -1.706 -6.213 653 HE1 HIS 28 1HE HIS 28 14.938 -2.255 -7.879 654 HE2 HIS 28 2HE HIS 28 13.012 -3.408 -6.694 655 H LYS 29 H LYS 29 12.992 4.181 -5.419 656 HA LYS 29 HA LYS 29 10.577 5.687 -6.257 657 HB2 LYS 29 1HB LYS 29 11.488 7.557 -4.935 658 HB3 LYS 29 2HB LYS 29 11.203 6.109 -4.004 659 HG2 LYS 29 1HG LYS 29 13.205 7.087 -3.227 660 HG3 LYS 29 2HG LYS 29 13.598 5.563 -3.978 661 HD2 LYS 29 1HD LYS 29 15.267 7.324 -4.377 662 HD3 LYS 29 2HD LYS 29 14.605 6.695 -5.887 663 HE2 LYS 29 1HE LYS 29 13.104 8.671 -6.069 664 HE3 LYS 29 2HE LYS 29 13.676 9.266 -4.516 665 HZ1 LYS 29 3HZ LYS 29 15.423 10.151 -5.496 666 HZ2 LYS 29 1HZ LYS 29 15.794 8.810 -6.383 667 HZ3 LYS 29 2HZ LYS 29 14.711 9.971 -6.877 668 H GLY 30 H GLY 30 10.929 7.816 -7.252 669 HA2 GLY 30 1HA GLY 30 11.895 9.242 -8.765 670 HA3 GLY 30 2HA GLY 30 13.415 8.365 -8.645 671 H LEU 31 H LEU 31 10.265 7.043 -9.589 672 HA LEU 31 HA LEU 31 11.143 6.804 -12.413 673 HB2 LEU 31 1HB LEU 31 10.432 4.455 -12.475 674 HB3 LEU 31 2HB LEU 31 11.826 4.761 -11.485 675 HG LEU 31 HG LEU 31 10.468 4.547 -9.418 676 HD11 LEU 31 1HD1 LEU 31 8.263 3.445 -9.570 677 HD12 LEU 31 2HD1 LEU 31 8.197 5.087 -10.172 678 HD13 LEU 31 3HD1 LEU 31 8.222 3.711 -11.308 679 HD21 LEU 31 3HD2 LEU 31 10.229 2.224 -11.373 680 HD22 LEU 31 1HD2 LEU 31 11.657 2.614 -10.391 681 HD23 LEU 31 2HD2 LEU 31 10.143 2.112 -9.612 682 H SER 32 H SER 32 8.831 5.387 -13.329 683 HA SER 32 HA SER 32 6.597 7.108 -12.414 684 HB2 SER 32 1HB SER 32 6.156 8.097 -14.464 685 HB3 SER 32 2HB SER 32 7.904 8.226 -14.322 686 HG SER 32 HG SER 32 8.131 6.390 -15.664 687 H LEU 33 H LEU 33 4.590 6.559 -13.922 688 HA LEU 33 HA LEU 33 3.793 4.048 -12.941 689 HB2 LEU 33 1HB LEU 33 2.628 5.797 -15.128 690 HB3 LEU 33 2HB LEU 33 1.789 4.404 -14.459 691 HG LEU 33 HG LEU 33 2.710 6.789 -12.799 692 HD11 LEU 33 1HD1 LEU 33 0.378 7.474 -12.827 693 HD12 LEU 33 2HD1 LEU 33 0.977 7.366 -14.486 694 HD13 LEU 33 3HD1 LEU 33 -0.057 6.076 -13.836 695 HD21 LEU 33 3HD2 LEU 33 2.446 4.770 -11.404 696 HD22 LEU 33 1HD2 LEU 33 1.103 5.873 -11.117 697 HD23 LEU 33 2HD2 LEU 33 0.868 4.449 -12.146 698 H SER 34 H SER 34 5.056 4.795 -16.217 699 HA SER 34 HA SER 34 4.500 2.176 -17.299 700 HB2 SER 34 1HB SER 34 6.515 4.320 -18.087 701 HB3 SER 34 2HB SER 34 6.110 2.896 -19.033 702 HG SER 34 HG SER 34 3.858 4.248 -18.364 703 H ASP 35 H ASP 35 7.001 3.390 -15.159 704 HA ASP 35 HA ASP 35 8.834 1.104 -15.645 705 HB2 ASP 35 1HB ASP 35 8.860 3.400 -13.657 706 HB3 ASP 35 2HB ASP 35 10.132 2.196 -13.810 707 H PHE 36 H PHE 36 6.474 2.329 -13.268 708 HA PHE 36 HA PHE 36 6.696 0.191 -11.374 709 HB2 PHE 36 1HB PHE 36 5.547 2.198 -10.766 710 HB3 PHE 36 2HB PHE 36 4.461 2.078 -12.144 711 HD1 PHE 36 2HD PHE 36 5.508 -0.172 -9.310 712 HD2 PHE 36 1HD PHE 36 2.283 1.430 -11.666 713 HE1 PHE 36 2HE PHE 36 3.902 -1.509 -8.001 714 HE2 PHE 36 1HE PHE 36 0.658 0.067 -10.386 715 HZ PHE 36 HZ PHE 36 1.460 -1.411 -8.553 716 H GLU 37 H GLU 37 4.648 0.531 -14.301 717 HA GLU 37 HA GLU 37 3.297 -1.940 -14.258 718 HB2 GLU 37 1HB GLU 37 2.840 -0.134 -15.819 719 HB3 GLU 37 2HB GLU 37 4.438 -0.273 -16.525 720 HG2 GLU 37 1HG GLU 37 2.803 -1.206 -18.017 721 HG3 GLU 37 2HG GLU 37 3.893 -2.469 -17.473 722 H VAL 38 H VAL 38 6.641 -1.277 -15.332 723 HA VAL 38 HA VAL 38 7.198 -4.030 -16.083 724 HB VAL 38 HB VAL 38 9.058 -1.697 -15.471 725 HG11 VAL 38 1HG1 VAL 38 9.672 -4.436 -16.622 726 HG12 VAL 38 2HG1 VAL 38 10.794 -3.056 -16.601 727 HG13 VAL 38 3HG1 VAL 38 10.280 -3.782 -15.085 728 HG21 VAL 38 3HG2 VAL 38 9.369 -1.885 -18.011 729 HG22 VAL 38 1HG2 VAL 38 7.942 -2.913 -18.008 730 HG23 VAL 38 2HG2 VAL 38 7.838 -1.245 -17.473 731 H LEU 39 H LEU 39 7.944 -2.087 -13.144 732 HA LEU 39 HA LEU 39 9.340 -4.111 -11.756 733 HB2 LEU 39 1HB LEU 39 9.391 -1.786 -11.099 734 HB3 LEU 39 2HB LEU 39 7.646 -1.781 -10.817 735 HG LEU 39 HG LEU 39 7.854 -3.216 -8.929 736 HD11 LEU 39 1HD1 LEU 39 10.880 -3.079 -9.365 737 HD12 LEU 39 2HD1 LEU 39 10.102 -3.727 -7.908 738 HD13 LEU 39 3HD1 LEU 39 9.897 -4.555 -9.449 739 HD21 LEU 39 3HD2 LEU 39 9.802 -0.902 -8.793 740 HD22 LEU 39 1HD2 LEU 39 8.040 -0.782 -8.703 741 HD23 LEU 39 2HD2 LEU 39 8.924 -1.628 -7.415 742 H TYR 40 H TYR 40 5.844 -3.344 -11.603 743 HA TYR 40 HA TYR 40 5.099 -5.537 -9.898 744 HB2 TYR 40 1HB TYR 40 3.653 -3.647 -10.149 745 HB3 TYR 40 2HB TYR 40 3.616 -3.800 -11.899 746 HD1 TYR 40 1HD TYR 40 2.690 -5.629 -8.754 747 HD2 TYR 40 2HD TYR 40 1.916 -5.034 -12.960 748 HE1 TYR 40 1HE TYR 40 0.720 -7.165 -8.622 749 HE2 TYR 40 2HE TYR 40 -0.021 -6.563 -12.838 750 HH TYR 40 HH TYR 40 -1.175 -8.025 -11.511 751 H GLY 41 H GLY 41 4.742 -5.207 -13.515 752 HA2 GLY 41 1HA GLY 41 3.727 -7.779 -13.892 753 HA3 GLY 41 2HA GLY 41 4.490 -6.777 -15.132 754 H ASN 42 H ASN 42 7.158 -6.900 -13.589 755 HA ASN 42 HA ASN 42 8.049 -9.464 -14.717 756 HB2 ASN 42 1HB ASN 42 9.191 -7.257 -15.091 757 HB3 ASN 42 2HB ASN 42 9.550 -7.170 -13.364 758 HD21 ASN 42 1HD2 ASN 42 10.038 -9.219 -16.278 759 HD22 ASN 42 2HD2 ASN 42 11.619 -9.783 -15.714 760 H THR 43 H THR 43 7.085 -8.323 -11.620 761 HA THR 43 HA THR 43 8.898 -10.269 -10.262 762 HB THR 43 HB THR 43 7.961 -7.689 -9.039 763 HG1 THR 43 1HG THR 43 8.863 -7.053 -10.877 764 HG21 THR 43 3HG2 THR 43 9.139 -8.569 -7.327 765 HG22 THR 43 1HG2 THR 43 9.934 -9.758 -8.339 766 HG23 THR 43 2HG2 THR 43 10.562 -8.137 -8.258 767 H ALA 44 H ALA 44 5.601 -9.184 -10.424 768 HA ALA 44 HA ALA 44 4.805 -9.554 -7.794 769 HB1 ALA 44 3HB ALA 44 3.724 -8.124 -9.457 770 HB2 ALA 44 1HB ALA 44 3.198 -9.559 -10.373 771 HB3 ALA 44 2HB ALA 44 2.542 -9.231 -8.757 772 H ASP 45 H ASP 45 5.982 -12.122 -8.736 773 HA ASP 45 HA ASP 45 4.073 -14.084 -9.404 774 HB2 ASP 45 1HB ASP 45 6.569 -14.177 -9.613 775 HB3 ASP 45 2HB ASP 45 6.681 -14.387 -7.864 776 H GLU 46 H GLU 46 5.158 -13.089 -6.210 777 HA GLU 46 HA GLU 46 2.788 -14.373 -4.960 778 HB2 GLU 46 1HB GLU 46 4.815 -15.920 -4.898 779 HB3 GLU 46 2HB GLU 46 5.621 -14.710 -3.910 780 HG2 GLU 46 1HG GLU 46 4.721 -16.326 -2.421 781 HG3 GLU 46 2HG GLU 46 3.646 -14.943 -2.249 782 H ILE 47 H ILE 47 2.818 -11.842 -5.517 783 HA ILE 47 HA ILE 47 4.248 -10.159 -3.699 784 HB ILE 47 HB ILE 47 3.645 -9.628 -5.975 785 HG12 ILE 47 1HG1 ILE 47 4.208 -7.877 -4.228 786 HG13 ILE 47 2HG1 ILE 47 3.551 -7.388 -5.770 787 HG21 ILE 47 1HG2 ILE 47 1.451 -8.795 -6.635 788 HG22 ILE 47 2HG2 ILE 47 1.402 -10.497 -6.157 789 HG23 ILE 47 3HG2 ILE 47 0.781 -9.261 -5.062 790 HD11 ILE 47 3HD1 ILE 47 1.353 -7.034 -4.740 791 HD12 ILE 47 1HD1 ILE 47 2.002 -7.458 -3.161 792 HD13 ILE 47 2HD1 ILE 47 2.645 -6.091 -4.021 793 H ILE 48 H ILE 48 3.663 -9.037 -1.951 794 HA ILE 48 HA ILE 48 1.248 -10.006 -0.496 795 HB ILE 48 HB ILE 48 3.991 -9.406 0.606 796 HG12 ILE 48 1HG1 ILE 48 4.185 -11.443 -0.612 797 HG13 ILE 48 2HG1 ILE 48 4.254 -11.756 1.099 798 HG21 ILE 48 1HG2 ILE 48 1.489 -10.489 1.951 799 HG22 ILE 48 2HG2 ILE 48 3.090 -10.403 2.713 800 HG23 ILE 48 3HG2 ILE 48 2.245 -8.925 2.261 801 HD11 ILE 48 3HD1 ILE 48 1.769 -12.217 -0.600 802 HD12 ILE 48 1HD1 ILE 48 2.929 -13.449 -0.138 803 HD13 ILE 48 2HD1 ILE 48 1.973 -12.643 1.099 804 H LYS 49 H LYS 49 3.626 -7.262 -0.651 805 HA LYS 49 HA LYS 49 1.384 -5.417 -0.013 806 HB2 LYS 49 1HB LYS 49 3.969 -5.746 1.483 807 HB3 LYS 49 2HB LYS 49 3.273 -4.146 1.337 808 HG2 LYS 49 1HG LYS 49 1.229 -4.969 2.327 809 HG3 LYS 49 2HG LYS 49 1.893 -6.583 2.495 810 HD2 LYS 49 1HD LYS 49 2.916 -6.006 4.431 811 HD3 LYS 49 2HD LYS 49 3.820 -4.753 3.608 812 HE2 LYS 49 1HE LYS 49 2.665 -3.704 5.385 813 HE3 LYS 49 2HE LYS 49 1.885 -3.192 3.887 814 HZ1 LYS 49 3HZ LYS 49 0.276 -3.899 5.606 815 HZ2 LYS 49 1HZ LYS 49 0.140 -4.780 4.244 816 HZ3 LYS 49 2HZ LYS 49 0.902 -5.427 5.565 817 H LEU 50 H LEU 50 1.472 -3.497 -0.893 818 HA LEU 50 HA LEU 50 3.808 -2.591 -2.476 819 HB2 LEU 50 1HB LEU 50 2.286 -4.124 -3.711 820 HB3 LEU 50 2HB LEU 50 0.979 -3.016 -3.485 821 HG LEU 50 HG LEU 50 3.549 -2.303 -4.950 822 HD11 LEU 50 1HD1 LEU 50 2.418 -2.931 -7.036 823 HD12 LEU 50 2HD1 LEU 50 2.494 -4.322 -5.974 824 HD13 LEU 50 3HD1 LEU 50 0.977 -3.429 -6.139 825 HD21 LEU 50 3HD2 LEU 50 0.740 -1.186 -5.248 826 HD22 LEU 50 1HD2 LEU 50 2.014 -0.367 -4.387 827 HD23 LEU 50 2HD2 LEU 50 2.188 -0.623 -6.088 828 H ARG 51 H ARG 51 4.090 -0.533 -2.336 829 HA ARG 51 HA ARG 51 1.881 1.367 -1.727 830 HB2 ARG 51 1HB ARG 51 4.091 0.677 -0.115 831 HB3 ARG 51 2HB ARG 51 4.666 2.097 -0.962 832 HG2 ARG 51 1HG ARG 51 2.167 1.843 0.737 833 HG3 ARG 51 2HG ARG 51 3.668 2.626 1.206 834 HD2 ARG 51 1HD ARG 51 1.742 3.589 -0.950 835 HD3 ARG 51 2HD ARG 51 1.977 4.274 0.662 836 HE ARG 51 HE ARG 51 4.481 4.223 -0.777 837 HH11 ARG 51 2HH2 ARG 51 1.528 6.088 -0.583 838 HH12 ARG 51 1HH2 ARG 51 2.354 7.568 -1.108 839 HH21 ARG 51 1HH1 ARG 51 5.479 6.167 -1.559 840 HH22 ARG 51 2HH1 ARG 51 4.408 7.488 -1.886 841 H LEU 52 H LEU 52 1.661 2.932 -3.245 842 HA LEU 52 HA LEU 52 4.050 3.995 -4.570 843 HB2 LEU 52 1HB LEU 52 3.363 2.475 -6.170 844 HB3 LEU 52 2HB LEU 52 1.665 2.814 -5.986 845 HG LEU 52 HG LEU 52 3.484 4.986 -7.019 846 HD11 LEU 52 1HD1 LEU 52 2.263 3.367 -9.142 847 HD12 LEU 52 2HD1 LEU 52 3.845 4.131 -9.044 848 HD13 LEU 52 3HD1 LEU 52 3.512 2.575 -8.315 849 HD21 LEU 52 3HD2 LEU 52 0.573 4.502 -7.031 850 HD22 LEU 52 1HD2 LEU 52 1.417 6.006 -7.075 851 HD23 LEU 52 2HD2 LEU 52 1.166 5.125 -8.531 852 H ASP 53 H ASP 53 3.980 6.200 -4.845 853 HA ASP 53 HA ASP 53 1.422 7.260 -5.456 854 HB2 ASP 53 1HB ASP 53 1.401 9.277 -4.158 855 HB3 ASP 53 2HB ASP 53 1.241 7.813 -3.207 856 H LYS 54 H LYS 54 1.440 9.236 -6.575 857 HA LYS 54 HA LYS 54 4.021 9.997 -7.793 858 HB2 LYS 54 1HB LYS 54 2.910 11.523 -9.063 859 HB3 LYS 54 2HB LYS 54 1.763 10.232 -8.953 860 HG2 LYS 54 1HG LYS 54 0.256 11.758 -8.552 861 HG3 LYS 54 2HG LYS 54 0.804 11.770 -6.906 862 HD2 LYS 54 1HD LYS 54 2.476 13.523 -8.608 863 HD3 LYS 54 2HD LYS 54 0.787 13.871 -8.824 864 HE2 LYS 54 1HE LYS 54 0.600 14.247 -6.386 865 HE3 LYS 54 2HE LYS 54 2.290 13.849 -6.195 866 HZ1 LYS 54 3HZ LYS 54 1.127 16.232 -7.370 867 HZ2 LYS 54 1HZ LYS 54 2.554 16.099 -6.510 868 HZ3 LYS 54 2HZ LYS 54 2.480 15.654 -8.075 869 H VAL 55 H VAL 55 5.449 11.227 -6.920 870 HA VAL 55 HA VAL 55 5.052 11.823 -4.133 871 HB VAL 55 HB VAL 55 7.343 12.317 -4.025 872 HG11 VAL 55 1HG1 VAL 55 8.172 10.230 -4.422 873 HG12 VAL 55 2HG1 VAL 55 6.433 9.921 -4.427 874 HG13 VAL 55 3HG1 VAL 55 7.298 10.056 -5.943 875 HG21 VAL 55 3HG2 VAL 55 7.443 12.293 -7.065 876 HG22 VAL 55 1HG2 VAL 55 7.742 13.684 -6.017 877 HG23 VAL 55 2HG2 VAL 55 8.850 12.312 -5.984 878 H LEU 56 H LEU 56 5.123 13.632 -3.085 879 HA LEU 56 HA LEU 56 3.412 15.563 -3.933 880 HB2 LEU 56 1HB LEU 56 5.558 15.712 -1.795 881 HB3 LEU 56 2HB LEU 56 4.366 16.985 -1.972 882 HG LEU 56 HG LEU 56 3.649 14.063 -1.507 883 HD11 LEU 56 1HD1 LEU 56 4.856 15.038 0.399 884 HD12 LEU 56 2HD1 LEU 56 3.764 16.424 0.391 885 HD13 LEU 56 3HD1 LEU 56 3.142 14.804 0.787 886 HD21 LEU 56 3HD2 LEU 56 1.867 15.652 -2.585 887 HD22 LEU 56 1HD2 LEU 56 1.425 14.755 -1.162 888 HD23 LEU 56 2HD2 LEU 56 1.880 16.460 -1.053 Start of MODEL 14 1 H1 MET 1 1H MET 1 -16.755 -15.891 14.473 2 H2 MET 1 2H MET 1 -15.632 -14.693 14.703 3 H3 MET 1 3H MET 1 -15.165 -16.145 14.102 4 HA MET 1 HA MET 1 -16.473 -15.785 12.105 5 HB2 MET 1 1HB MET 1 -18.202 -14.348 13.055 6 HB3 MET 1 2HB MET 1 -17.023 -13.083 13.432 7 HG2 MET 1 1HG MET 1 -18.369 -12.673 11.334 8 HG3 MET 1 2HG MET 1 -16.625 -12.626 11.125 9 HE1 MET 1 3HE MET 1 -19.981 -14.250 10.139 10 HE2 MET 1 1HE MET 1 -19.516 -15.858 9.551 11 HE3 MET 1 2HE MET 1 -19.377 -15.496 11.268 12 H VAL 2 H VAL 2 -14.802 -15.788 10.697 13 HA VAL 2 HA VAL 2 -12.282 -14.572 11.358 14 HB VAL 2 HB VAL 2 -11.599 -15.345 9.105 15 HG11 VAL 2 1HG1 VAL 2 -13.101 -17.454 10.733 16 HG12 VAL 2 2HG1 VAL 2 -11.761 -17.734 9.600 17 HG13 VAL 2 3HG1 VAL 2 -11.481 -16.819 11.095 18 HG21 VAL 2 3HG2 VAL 2 -14.073 -15.115 8.136 19 HG22 VAL 2 1HG2 VAL 2 -12.974 -16.350 7.546 20 HG23 VAL 2 2HG2 VAL 2 -14.232 -16.776 8.724 21 H GLN 3 H GLN 3 -15.047 -13.353 9.643 22 HA GLN 3 HA GLN 3 -13.744 -11.372 8.032 23 HB2 GLN 3 1HB GLN 3 -16.602 -11.603 9.065 24 HB3 GLN 3 2HB GLN 3 -16.034 -10.491 7.823 25 HG2 GLN 3 1HG GLN 3 -15.358 -12.408 6.393 26 HG3 GLN 3 2HG GLN 3 -16.009 -13.536 7.620 27 HE21 GLN 3 1HE2 GLN 3 -16.815 -12.596 4.643 28 HE22 GLN 3 2HE2 GLN 3 -18.542 -12.356 4.922 29 H ASN 4 H ASN 4 -12.277 -10.533 9.599 30 HA ASN 4 HA ASN 4 -13.330 -8.782 11.716 31 HB2 ASN 4 1HB ASN 4 -11.357 -10.177 12.078 32 HB3 ASN 4 2HB ASN 4 -10.503 -9.412 10.734 33 HD21 ASN 4 1HD2 ASN 4 -9.406 -7.456 11.098 34 HD22 ASN 4 2HD2 ASN 4 -9.536 -6.645 12.685 35 H ASP 5 H ASP 5 -11.204 -8.230 8.865 36 HA ASP 5 HA ASP 5 -12.263 -5.480 8.563 37 HB2 ASP 5 1HB ASP 5 -9.908 -5.133 7.637 38 HB3 ASP 5 2HB ASP 5 -10.090 -5.307 9.378 39 H PHE 6 H PHE 6 -10.205 -7.314 6.366 40 HA PHE 6 HA PHE 6 -12.356 -7.350 4.270 41 HB2 PHE 6 1HB PHE 6 -9.414 -6.733 3.897 42 HB3 PHE 6 2HB PHE 6 -10.651 -6.697 2.656 43 HD1 PHE 6 1HD PHE 6 -12.829 -5.115 4.140 44 HD2 PHE 6 2HD PHE 6 -8.565 -4.550 3.794 45 HE1 PHE 6 1HE PHE 6 -13.125 -2.674 4.410 46 HE2 PHE 6 2HE PHE 6 -8.868 -2.117 4.011 47 HZ PHE 6 HZ PHE 6 -11.151 -1.163 4.316 48 H VAL 7 H VAL 7 -11.528 -9.454 6.060 49 HA VAL 7 HA VAL 7 -9.450 -11.052 5.122 50 HB VAL 7 HB VAL 7 -11.676 -11.915 6.969 51 HG11 VAL 7 1HG1 VAL 7 -9.216 -13.056 7.769 52 HG12 VAL 7 2HG1 VAL 7 -10.561 -13.875 6.958 53 HG13 VAL 7 3HG1 VAL 7 -9.212 -13.225 6.018 54 HG21 VAL 7 3HG2 VAL 7 -9.066 -10.435 7.524 55 HG22 VAL 7 1HG2 VAL 7 -10.710 -9.829 7.794 56 HG23 VAL 7 2HG2 VAL 7 -10.101 -11.164 8.770 57 H ASP 8 H ASP 8 -9.949 -11.195 2.899 58 HA ASP 8 HA ASP 8 -11.202 -13.806 2.168 59 HB2 ASP 8 1HB ASP 8 -12.916 -11.998 1.967 60 HB3 ASP 8 2HB ASP 8 -11.860 -11.104 0.897 61 H SER 9 H SER 9 -9.845 -10.936 0.561 62 HA SER 9 HA SER 9 -7.519 -12.251 -0.598 63 HB2 SER 9 1HB SER 9 -9.580 -13.094 -1.925 64 HB3 SER 9 2HB SER 9 -9.714 -11.434 -2.520 65 HG SER 9 HG SER 9 -8.185 -11.844 -3.830 66 H TYR 10 H TYR 10 -6.948 -10.608 -2.605 67 HA TYR 10 HA TYR 10 -5.500 -8.631 -1.286 68 HB2 TYR 10 1HB TYR 10 -6.424 -8.664 -4.181 69 HB3 TYR 10 2HB TYR 10 -5.379 -7.430 -3.528 70 HD1 TYR 10 1HD TYR 10 -5.570 -11.098 -4.220 71 HD2 TYR 10 2HD TYR 10 -3.081 -7.764 -3.102 72 HE1 TYR 10 1HE TYR 10 -3.522 -12.470 -4.640 73 HE2 TYR 10 2HE TYR 10 -1.046 -9.137 -3.508 74 HH TYR 10 HH TYR 10 -0.234 -11.300 -3.827 75 H ASP 11 H ASP 11 -5.799 -6.676 -0.523 76 HA ASP 11 HA ASP 11 -8.268 -5.071 -0.918 77 HB2 ASP 11 1HB ASP 11 -7.975 -5.445 1.376 78 HB3 ASP 11 2HB ASP 11 -6.220 -5.337 1.275 79 H VAL 12 H VAL 12 -8.087 -3.606 -2.491 80 HA VAL 12 HA VAL 12 -5.468 -2.268 -2.944 81 HB VAL 12 HB VAL 12 -7.718 -2.595 -4.960 82 HG11 VAL 12 1HG1 VAL 12 -6.306 -0.606 -5.309 83 HG12 VAL 12 2HG1 VAL 12 -4.835 -1.594 -5.133 84 HG13 VAL 12 3HG1 VAL 12 -5.927 -1.839 -6.504 85 HG21 VAL 12 3HG2 VAL 12 -5.104 -4.123 -4.681 86 HG22 VAL 12 1HG2 VAL 12 -6.725 -4.802 -4.500 87 HG23 VAL 12 2HG2 VAL 12 -6.207 -4.198 -6.077 88 H THR 13 H THR 13 -5.575 -0.601 -1.636 89 HA THR 13 HA THR 13 -7.898 1.291 -1.747 90 HB THR 13 HB THR 13 -5.395 1.248 -0.012 91 HG1 THR 13 1HG THR 13 -7.237 -0.331 0.298 92 HG21 THR 13 3HG2 THR 13 -6.194 3.568 -0.307 93 HG22 THR 13 1HG2 THR 13 -7.862 3.048 0.037 94 HG23 THR 13 2HG2 THR 13 -6.624 2.980 1.308 95 H MET 14 H MET 14 -7.770 2.320 -3.740 96 HA MET 14 HA MET 14 -5.117 3.481 -4.501 97 HB2 MET 14 1HB MET 14 -6.257 1.859 -6.065 98 HB3 MET 14 2HB MET 14 -7.510 3.081 -6.320 99 HG2 MET 14 1HG MET 14 -5.891 4.604 -7.301 100 HG3 MET 14 2HG MET 14 -4.542 3.648 -6.696 101 HE1 MET 14 3HE MET 14 -7.121 2.716 -10.398 102 HE2 MET 14 1HE MET 14 -7.840 2.909 -8.779 103 HE3 MET 14 2HE MET 14 -7.025 4.279 -9.562 104 H LEU 15 H LEU 15 -5.107 5.655 -5.409 105 HA LEU 15 HA LEU 15 -7.242 7.430 -4.386 106 HB2 LEU 15 1HB LEU 15 -5.094 6.709 -2.883 107 HB3 LEU 15 2HB LEU 15 -4.384 8.066 -3.755 108 HG LEU 15 HG LEU 15 -7.000 8.195 -2.188 109 HD11 LEU 15 1HD1 LEU 15 -5.683 9.260 -0.429 110 HD12 LEU 15 2HD1 LEU 15 -4.989 7.666 -0.777 111 HD13 LEU 15 3HD1 LEU 15 -4.207 9.132 -1.409 112 HD21 LEU 15 3HD2 LEU 15 -6.598 10.631 -2.222 113 HD22 LEU 15 1HD2 LEU 15 -5.158 10.408 -3.240 114 HD23 LEU 15 2HD2 LEU 15 -6.772 10.031 -3.867 115 H LEU 16 H LEU 16 -7.737 8.898 -5.781 116 HA LEU 16 HA LEU 16 -5.842 9.706 -7.960 117 HB2 LEU 16 1HB LEU 16 -8.871 9.418 -8.041 118 HB3 LEU 16 2HB LEU 16 -7.870 9.996 -9.346 119 HG LEU 16 HG LEU 16 -8.381 7.911 -10.035 120 HD11 LEU 16 1HD1 LEU 16 -5.982 8.184 -10.180 121 HD12 LEU 16 2HD1 LEU 16 -5.774 7.383 -8.587 122 HD13 LEU 16 3HD1 LEU 16 -6.438 6.490 -9.963 123 HD21 LEU 16 3HD2 LEU 16 -7.827 5.949 -8.128 124 HD22 LEU 16 1HD2 LEU 16 -8.705 7.204 -7.238 125 HD23 LEU 16 2HD2 LEU 16 -9.393 6.524 -8.717 126 H GLN 17 H GLN 17 -6.610 11.802 -8.984 127 HA GLN 17 HA GLN 17 -7.753 13.687 -6.973 128 HB2 GLN 17 1HB GLN 17 -5.314 13.926 -7.300 129 HB3 GLN 17 2HB GLN 17 -5.588 14.266 -9.009 130 HG2 GLN 17 1HG GLN 17 -6.841 16.302 -8.419 131 HG3 GLN 17 2HG GLN 17 -6.781 15.876 -6.699 132 HE21 GLN 17 1HE2 GLN 17 -4.644 16.606 -9.536 133 HE22 GLN 17 2HE2 GLN 17 -3.434 17.407 -8.504 134 H ASP 18 H ASP 18 -9.464 14.782 -7.546 135 HA ASP 18 HA ASP 18 -10.828 14.290 -10.062 136 HB2 ASP 18 1HB ASP 18 -11.937 14.468 -7.831 137 HB3 ASP 18 2HB ASP 18 -11.395 16.143 -7.705 138 H ASP 19 H ASP 19 -11.715 16.105 -11.446 139 HA ASP 19 HA ASP 19 -9.654 17.812 -12.406 140 HB2 ASP 19 1HB ASP 19 -11.394 18.600 -13.933 141 HB3 ASP 19 2HB ASP 19 -11.428 16.845 -13.790 142 H ASP 20 H ASP 20 -12.052 18.342 -9.841 143 HA ASP 20 HA ASP 20 -11.654 21.242 -9.825 144 HB2 ASP 20 1HB ASP 20 -13.700 20.072 -9.006 145 HB3 ASP 20 2HB ASP 20 -12.759 19.396 -7.674 146 H GLY 21 H GLY 21 -9.646 18.646 -8.943 147 HA2 GLY 21 1HA GLY 21 -7.461 18.808 -8.155 148 HA3 GLY 21 2HA GLY 21 -7.829 20.314 -7.312 149 H LYS 22 H LYS 22 -10.219 18.011 -6.709 150 HA LYS 22 HA LYS 22 -9.404 17.672 -3.907 151 HB2 LYS 22 1HB LYS 22 -11.800 16.536 -5.435 152 HB3 LYS 22 2HB LYS 22 -11.607 16.548 -3.686 153 HG2 LYS 22 1HG LYS 22 -11.591 19.178 -5.198 154 HG3 LYS 22 2HG LYS 22 -13.103 18.347 -4.864 155 HD2 LYS 22 1HD LYS 22 -12.603 18.369 -2.437 156 HD3 LYS 22 2HD LYS 22 -11.046 19.154 -2.773 157 HE2 LYS 22 1HE LYS 22 -12.656 20.814 -4.164 158 HE3 LYS 22 2HE LYS 22 -13.863 20.227 -3.000 159 HZ1 LYS 22 3HZ LYS 22 -12.663 22.227 -2.250 160 HZ2 LYS 22 1HZ LYS 22 -12.424 20.968 -1.211 161 HZ3 LYS 22 2HZ LYS 22 -11.243 21.405 -2.275 162 H GLN 23 H GLN 23 -8.316 15.940 -3.113 163 HA GLN 23 HA GLN 23 -7.867 13.590 -4.825 164 HB2 GLN 23 1HB GLN 23 -6.872 14.347 -2.055 165 HB3 GLN 23 2HB GLN 23 -6.530 12.797 -2.845 166 HG2 GLN 23 1HG GLN 23 -5.584 13.972 -4.814 167 HG3 GLN 23 2HG GLN 23 -5.868 15.528 -4.025 168 HE21 GLN 23 1HE2 GLN 23 -3.505 15.690 -4.575 169 HE22 GLN 23 2HE2 GLN 23 -2.422 15.071 -3.298 170 H TYR 24 H TYR 24 -8.760 11.610 -4.611 171 HA TYR 24 HA TYR 24 -10.646 11.134 -2.371 172 HB2 TYR 24 1HB TYR 24 -12.457 10.529 -3.805 173 HB3 TYR 24 2HB TYR 24 -11.964 12.168 -4.174 174 HD1 TYR 24 2HD TYR 24 -10.705 12.659 -6.306 175 HD2 TYR 24 1HD TYR 24 -12.322 8.742 -5.452 176 HE1 TYR 24 2HE TYR 24 -10.533 12.056 -8.711 177 HE2 TYR 24 1HE TYR 24 -12.173 8.160 -7.855 178 HH TYR 24 HH TYR 24 -10.645 10.302 -10.250 179 H TYR 25 H TYR 25 -11.048 9.064 -1.861 180 HA TYR 25 HA TYR 25 -9.032 7.088 -2.663 181 HB2 TYR 25 1HB TYR 25 -11.196 7.232 -0.527 182 HB3 TYR 25 2HB TYR 25 -10.346 5.740 -0.888 183 HD1 TYR 25 2HD TYR 25 -7.999 5.421 -0.450 184 HD2 TYR 25 1HD TYR 25 -9.984 9.072 0.651 185 HE1 TYR 25 2HE TYR 25 -6.106 5.989 1.073 186 HE2 TYR 25 1HE TYR 25 -8.089 9.663 2.149 187 HH TYR 25 HH TYR 25 -6.151 8.152 3.435 188 H GLU 26 H GLU 26 -9.402 5.152 -3.468 189 HA GLU 26 HA GLU 26 -12.110 4.208 -4.275 190 HB2 GLU 26 1HB GLU 26 -9.533 4.389 -5.874 191 HB3 GLU 26 2HB GLU 26 -10.734 3.173 -6.256 192 HG2 GLU 26 1HG GLU 26 -11.284 6.177 -6.189 193 HG3 GLU 26 2HG GLU 26 -10.915 5.238 -7.637 194 H TYR 27 H TYR 27 -12.125 3.044 -2.321 195 HA TYR 27 HA TYR 27 -10.135 0.995 -1.672 196 HB2 TYR 27 1HB TYR 27 -12.944 1.563 -0.630 197 HB3 TYR 27 2HB TYR 27 -11.895 0.300 -0.020 198 HD1 TYR 27 2HD TYR 27 -9.887 0.810 1.315 199 HD2 TYR 27 1HD TYR 27 -12.541 3.928 -0.062 200 HE1 TYR 27 2HE TYR 27 -8.929 2.354 2.980 201 HE2 TYR 27 1HE TYR 27 -11.558 5.487 1.617 202 HH TYR 27 HH TYR 27 -8.969 4.480 3.844 203 H HIS 28 H HIS 28 -10.004 -0.827 -2.870 204 HA HIS 28 HA HIS 28 -12.506 -2.250 -3.694 205 HB2 HIS 28 1HB HIS 28 -10.013 -1.700 -5.343 206 HB3 HIS 28 2HB HIS 28 -11.258 -2.872 -5.779 207 HD1 HIS 28 1HD HIS 28 -13.695 -1.916 -6.431 208 HD2 HIS 28 2HD HIS 28 -10.627 0.878 -5.710 209 HE1 HIS 28 1HE HIS 28 -14.574 0.386 -7.269 210 HE2 HIS 28 2HE HIS 28 -12.740 2.080 -6.810 211 H LYS 29 H LYS 29 -12.481 -3.824 -2.199 212 HA LYS 29 HA LYS 29 -10.021 -5.464 -1.854 213 HB2 LYS 29 1HB LYS 29 -10.716 -5.698 0.553 214 HB3 LYS 29 2HB LYS 29 -10.222 -4.090 0.066 215 HG2 LYS 29 1HG LYS 29 -12.050 -3.786 1.486 216 HG3 LYS 29 2HG LYS 29 -12.649 -3.413 -0.108 217 HD2 LYS 29 1HD LYS 29 -13.777 -5.644 -0.203 218 HD3 LYS 29 2HD LYS 29 -13.105 -6.035 1.392 219 HE2 LYS 29 1HE LYS 29 -14.275 -4.013 2.314 220 HE3 LYS 29 2HE LYS 29 -14.990 -3.722 0.713 221 HZ1 LYS 29 3HZ LYS 29 -15.387 -6.219 2.250 222 HZ2 LYS 29 1HZ LYS 29 -16.450 -4.968 2.267 223 HZ3 LYS 29 2HZ LYS 29 -16.163 -5.781 0.867 224 H GLY 30 H GLY 30 -10.329 -7.603 -0.921 225 HA2 GLY 30 1HA GLY 30 -11.224 -9.743 -1.035 226 HA3 GLY 30 2HA GLY 30 -12.832 -9.042 -1.258 227 H LEU 31 H LEU 31 -9.847 -8.666 -3.218 228 HA LEU 31 HA LEU 31 -11.068 -10.137 -5.459 229 HB2 LEU 31 1HB LEU 31 -10.737 -8.298 -7.038 230 HB3 LEU 31 2HB LEU 31 -11.962 -8.006 -5.844 231 HG LEU 31 HG LEU 31 -10.470 -6.458 -4.607 232 HD11 LEU 31 1HD1 LEU 31 -8.477 -5.539 -5.752 233 HD12 LEU 31 2HD1 LEU 31 -8.222 -7.201 -5.231 234 HD13 LEU 31 3HD1 LEU 31 -8.546 -6.842 -6.948 235 HD21 LEU 31 3HD2 LEU 31 -11.016 -5.974 -7.558 236 HD22 LEU 31 1HD2 LEU 31 -12.021 -5.529 -6.163 237 HD23 LEU 31 2HD2 LEU 31 -10.470 -4.712 -6.461 238 H SER 32 H SER 32 -9.109 -9.547 -7.443 239 HA SER 32 HA SER 32 -6.606 -10.438 -6.106 240 HB2 SER 32 1HB SER 32 -6.522 -12.362 -7.358 241 HB3 SER 32 2HB SER 32 -8.211 -12.285 -6.895 242 HG SER 32 HG SER 32 -8.881 -11.790 -8.916 243 H LEU 33 H LEU 33 -4.893 -10.845 -7.970 244 HA LEU 33 HA LEU 33 -4.094 -8.238 -8.731 245 HB2 LEU 33 1HB LEU 33 -3.144 -10.964 -9.692 246 HB3 LEU 33 2HB LEU 33 -2.282 -9.456 -9.973 247 HG LEU 33 HG LEU 33 -2.898 -10.594 -7.203 248 HD11 LEU 33 1HD1 LEU 33 -1.326 -11.997 -8.513 249 HD12 LEU 33 2HD1 LEU 33 -0.286 -10.575 -8.759 250 HD13 LEU 33 3HD1 LEU 33 -0.566 -11.224 -7.123 251 HD21 LEU 33 3HD2 LEU 33 -1.133 -8.265 -8.083 252 HD22 LEU 33 1HD2 LEU 33 -2.629 -8.152 -7.129 253 HD23 LEU 33 2HD2 LEU 33 -1.215 -8.933 -6.438 254 H SER 34 H SER 34 -5.703 -10.760 -10.733 255 HA SER 34 HA SER 34 -5.603 -9.279 -13.178 256 HB2 SER 34 1HB SER 34 -7.601 -11.378 -12.236 257 HB3 SER 34 2HB SER 34 -7.269 -10.894 -13.906 258 HG SER 34 HG SER 34 -5.054 -11.571 -13.486 259 H ASP 35 H ASP 35 -7.681 -9.025 -10.343 260 HA ASP 35 HA ASP 35 -9.743 -7.413 -11.703 261 HB2 ASP 35 1HB ASP 35 -9.310 -7.911 -8.748 262 HB3 ASP 35 2HB ASP 35 -10.783 -7.350 -9.526 263 H PHE 36 H PHE 36 -6.936 -6.991 -9.538 264 HA PHE 36 HA PHE 36 -7.057 -4.138 -9.292 265 HB2 PHE 36 1HB PHE 36 -5.525 -5.324 -7.896 266 HB3 PHE 36 2HB PHE 36 -4.770 -6.127 -9.258 267 HD1 PHE 36 1HD PHE 36 -5.585 -2.543 -8.494 268 HD2 PHE 36 2HD PHE 36 -2.599 -5.385 -9.726 269 HE1 PHE 36 1HE PHE 36 -4.007 -0.704 -8.827 270 HE2 PHE 36 2HE PHE 36 -0.984 -3.532 -10.068 271 HZ PHE 36 HZ PHE 36 -1.669 -1.186 -9.624 272 H GLU 37 H GLU 37 -5.553 -6.206 -11.862 273 HA GLU 37 HA GLU 37 -4.627 -4.077 -13.478 274 HB2 GLU 37 1HB GLU 37 -5.468 -6.938 -14.019 275 HB3 GLU 37 2HB GLU 37 -4.916 -5.879 -15.325 276 HG2 GLU 37 1HG GLU 37 -2.798 -5.491 -14.300 277 HG3 GLU 37 2HG GLU 37 -3.322 -6.137 -12.757 278 H VAL 38 H VAL 38 -7.936 -5.211 -13.096 279 HA VAL 38 HA VAL 38 -8.989 -3.635 -15.327 280 HB VAL 38 HB VAL 38 -10.406 -4.790 -12.891 281 HG11 VAL 38 1HG1 VAL 38 -12.482 -4.416 -14.192 282 HG12 VAL 38 2HG1 VAL 38 -11.706 -2.905 -13.714 283 HG13 VAL 38 3HG1 VAL 38 -11.546 -3.491 -15.388 284 HG21 VAL 38 3HG2 VAL 38 -11.247 -6.468 -14.473 285 HG22 VAL 38 1HG2 VAL 38 -10.313 -5.719 -15.792 286 HG23 VAL 38 2HG2 VAL 38 -9.487 -6.506 -14.437 287 H LEU 39 H LEU 39 -8.785 -3.137 -11.763 288 HA LEU 39 HA LEU 39 -9.855 -0.506 -11.724 289 HB2 LEU 39 1HB LEU 39 -9.406 -1.967 -9.717 290 HB3 LEU 39 2HB LEU 39 -7.685 -1.676 -9.928 291 HG LEU 39 HG LEU 39 -8.145 0.807 -9.624 292 HD11 LEU 39 1HD1 LEU 39 -10.253 1.432 -8.495 293 HD12 LEU 39 2HD1 LEU 39 -10.579 0.786 -10.107 294 HD13 LEU 39 3HD1 LEU 39 -10.853 -0.238 -8.692 295 HD21 LEU 39 3HD2 LEU 39 -7.207 -0.502 -7.828 296 HD22 LEU 39 1HD2 LEU 39 -8.396 0.617 -7.151 297 HD23 LEU 39 2HD2 LEU 39 -8.814 -1.104 -7.358 298 H TYR 40 H TYR 40 -6.439 -1.528 -12.023 299 HA TYR 40 HA TYR 40 -5.320 1.076 -12.361 300 HB2 TYR 40 1HB TYR 40 -4.062 -0.945 -11.732 301 HB3 TYR 40 2HB TYR 40 -4.350 -1.637 -13.319 302 HD1 TYR 40 1HD TYR 40 -2.744 1.303 -11.603 303 HD2 TYR 40 2HD TYR 40 -2.844 -1.209 -15.103 304 HE1 TYR 40 1HE TYR 40 -0.688 2.401 -12.464 305 HE2 TYR 40 2HE TYR 40 -0.791 -0.101 -15.963 306 HH TYR 40 HH TYR 40 0.747 1.547 -15.711 307 H GLY 41 H GLY 41 -6.726 -1.187 -14.786 308 HA2 GLY 41 1HA GLY 41 -5.898 0.432 -17.051 309 HA3 GLY 41 2HA GLY 41 -7.000 -0.947 -17.061 310 H ASN 42 H ASN 42 -8.787 0.398 -15.020 311 HA ASN 42 HA ASN 42 -10.277 2.078 -16.978 312 HB2 ASN 42 1HB ASN 42 -11.154 -0.125 -16.174 313 HB3 ASN 42 2HB ASN 42 -11.191 0.520 -14.530 314 HD21 ASN 42 1HD2 ASN 42 -13.104 1.508 -13.897 315 HD22 ASN 42 2HD2 ASN 42 -14.326 2.005 -15.085 316 H THR 43 H THR 43 -8.974 2.245 -13.704 317 HA THR 43 HA THR 43 -10.515 4.743 -13.160 318 HB THR 43 HB THR 43 -9.618 2.629 -11.196 319 HG1 THR 43 1HG THR 43 -12.252 2.680 -11.745 320 HG21 THR 43 3HG2 THR 43 -11.117 3.463 -9.642 321 HG22 THR 43 1HG2 THR 43 -10.560 4.967 -10.355 322 HG23 THR 43 2HG2 THR 43 -12.110 4.304 -10.848 323 H ALA 44 H ALA 44 -7.297 3.706 -13.553 324 HA ALA 44 HA ALA 44 -5.969 5.140 -11.471 325 HB1 ALA 44 3HB ALA 44 -3.953 4.665 -12.761 326 HB2 ALA 44 1HB ALA 44 -5.005 3.252 -12.632 327 HB3 ALA 44 2HB ALA 44 -4.951 4.179 -14.152 328 H ASP 45 H ASP 45 -7.894 6.885 -12.820 329 HA ASP 45 HA ASP 45 -6.566 8.681 -14.652 330 HB2 ASP 45 1HB ASP 45 -8.975 8.078 -14.773 331 HB3 ASP 45 2HB ASP 45 -9.254 8.925 -13.251 332 H GLU 46 H GLU 46 -5.069 9.982 -13.976 333 HA GLU 46 HA GLU 46 -3.729 11.318 -12.753 334 HB2 GLU 46 1HB GLU 46 -5.767 12.805 -13.113 335 HB3 GLU 46 2HB GLU 46 -6.129 12.555 -11.402 336 HG2 GLU 46 1HG GLU 46 -3.954 13.491 -10.763 337 HG3 GLU 46 2HG GLU 46 -3.418 13.508 -12.436 338 H ILE 47 H ILE 47 -3.494 9.020 -11.940 339 HA ILE 47 HA ILE 47 -3.878 8.261 -9.292 340 HB ILE 47 HB ILE 47 -3.253 6.773 -11.072 341 HG12 ILE 47 1HG1 ILE 47 -1.446 5.429 -10.013 342 HG13 ILE 47 2HG1 ILE 47 -1.142 6.738 -8.870 343 HG21 ILE 47 1HG2 ILE 47 -0.363 7.604 -11.062 344 HG22 ILE 47 2HG2 ILE 47 -1.296 6.706 -12.272 345 HG23 ILE 47 3HG2 ILE 47 -1.493 8.451 -12.119 346 HD11 ILE 47 3HD1 ILE 47 -3.400 6.468 -7.927 347 HD12 ILE 47 1HD1 ILE 47 -3.806 5.272 -9.184 348 HD13 ILE 47 2HD1 ILE 47 -2.574 4.905 -7.960 349 H ILE 48 H ILE 48 -3.071 8.647 -7.394 350 HA ILE 48 HA ILE 48 -0.778 10.469 -6.991 351 HB ILE 48 HB ILE 48 -3.293 10.253 -5.290 352 HG12 ILE 48 1HG1 ILE 48 -3.983 11.276 -7.357 353 HG13 ILE 48 2HG1 ILE 48 -3.987 12.449 -6.045 354 HG21 ILE 48 1HG2 ILE 48 -1.125 12.382 -5.181 355 HG22 ILE 48 2HG2 ILE 48 -2.458 12.096 -4.044 356 HG23 ILE 48 3HG2 ILE 48 -1.115 10.954 -4.166 357 HD11 ILE 48 3HD1 ILE 48 -1.684 12.266 -8.039 358 HD12 ILE 48 1HD1 ILE 48 -3.116 13.267 -8.302 359 HD13 ILE 48 2HD1 ILE 48 -2.068 13.589 -6.913 360 H LYS 49 H LYS 49 -2.916 8.012 -5.345 361 HA LYS 49 HA LYS 49 -0.424 6.680 -4.433 362 HB2 LYS 49 1HB LYS 49 -2.725 7.245 -2.521 363 HB3 LYS 49 2HB LYS 49 -1.295 6.281 -2.179 364 HG2 LYS 49 1HG LYS 49 0.141 8.250 -2.581 365 HG3 LYS 49 2HG LYS 49 -1.299 9.231 -2.846 366 HD2 LYS 49 1HD LYS 49 -2.069 8.737 -0.528 367 HD3 LYS 49 2HD LYS 49 -0.569 7.797 -0.256 368 HE2 LYS 49 1HE LYS 49 0.740 9.847 -0.973 369 HE3 LYS 49 2HE LYS 49 -0.822 10.745 -1.110 370 HZ1 LYS 49 3HZ LYS 49 0.080 11.323 1.002 371 HZ2 LYS 49 1HZ LYS 49 -1.049 10.110 1.307 372 HZ3 LYS 49 2HZ LYS 49 0.476 9.699 1.313 373 H LEU 50 H LEU 50 -0.605 4.575 -3.809 374 HA LEU 50 HA LEU 50 -3.082 3.046 -4.349 375 HB2 LEU 50 1HB LEU 50 -1.546 3.465 -6.434 376 HB3 LEU 50 2HB LEU 50 -0.474 2.294 -5.676 377 HG LEU 50 HG LEU 50 -3.361 1.661 -6.346 378 HD11 LEU 50 1HD1 LEU 50 -0.820 1.283 -8.026 379 HD12 LEU 50 2HD1 LEU 50 -2.446 0.714 -8.451 380 HD13 LEU 50 3HD1 LEU 50 -2.124 2.441 -8.375 381 HD21 LEU 50 3HD2 LEU 50 -2.719 -0.627 -6.199 382 HD22 LEU 50 1HD2 LEU 50 -0.993 -0.232 -6.210 383 HD23 LEU 50 2HD2 LEU 50 -1.965 0.104 -4.784 384 H ARG 51 H ARG 51 -3.284 1.683 -2.706 385 HA ARG 51 HA ARG 51 -0.882 0.361 -1.534 386 HB2 ARG 51 1HB ARG 51 -2.194 2.229 -0.173 387 HB3 ARG 51 2HB ARG 51 -3.338 0.939 0.152 388 HG2 ARG 51 1HG ARG 51 -0.370 0.841 0.651 389 HG3 ARG 51 2HG ARG 51 -1.540 1.261 1.881 390 HD2 ARG 51 1HD ARG 51 -1.712 -1.449 0.493 391 HD3 ARG 51 2HD ARG 51 -0.531 -1.159 1.748 392 HE ARG 51 HE ARG 51 -2.200 -0.855 3.367 393 HH11 ARG 51 2HH2 ARG 51 -3.957 -1.631 0.272 394 HH12 ARG 51 1HH2 ARG 51 -5.215 -2.315 1.319 395 HH21 ARG 51 1HH1 ARG 51 -4.061 -1.758 4.337 396 HH22 ARG 51 2HH1 ARG 51 -5.294 -2.348 3.208 397 H LEU 52 H LEU 52 -1.042 -1.402 -2.825 398 HA LEU 52 HA LEU 52 -3.488 -3.097 -2.634 399 HB2 LEU 52 1HB LEU 52 -2.730 -2.846 -4.832 400 HB3 LEU 52 2HB LEU 52 -1.070 -3.193 -4.445 401 HG LEU 52 HG LEU 52 -3.206 -5.298 -3.966 402 HD11 LEU 52 1HD1 LEU 52 -1.706 -4.999 -6.601 403 HD12 LEU 52 2HD1 LEU 52 -3.048 -6.092 -6.196 404 HD13 LEU 52 3HD1 LEU 52 -3.340 -4.362 -6.355 405 HD21 LEU 52 3HD2 LEU 52 -0.900 -5.823 -3.138 406 HD22 LEU 52 1HD2 LEU 52 -1.341 -6.852 -4.499 407 HD23 LEU 52 2HD2 LEU 52 -0.261 -5.472 -4.752 408 H ASP 53 H ASP 53 -3.573 -4.744 -1.302 409 HA ASP 53 HA ASP 53 -1.155 -5.833 0.049 410 HB2 ASP 53 1HB ASP 53 -2.089 -3.905 1.311 411 HB3 ASP 53 2HB ASP 53 -3.656 -4.717 1.396 412 H LYS 54 H LYS 54 -1.235 -8.001 -0.377 413 HA LYS 54 HA LYS 54 -3.538 -9.647 -0.834 414 HB2 LYS 54 1HB LYS 54 -1.225 -10.337 -1.312 415 HB3 LYS 54 2HB LYS 54 -0.838 -10.052 0.371 416 HG2 LYS 54 1HG LYS 54 -0.886 -12.418 -0.062 417 HG3 LYS 54 2HG LYS 54 -2.141 -11.983 1.092 418 HD2 LYS 54 1HD LYS 54 -3.855 -12.130 -0.700 419 HD3 LYS 54 2HD LYS 54 -2.579 -12.520 -1.881 420 HE2 LYS 54 1HE LYS 54 -2.304 -14.633 -1.090 421 HE3 LYS 54 2HE LYS 54 -2.450 -14.163 0.588 422 HZ1 LYS 54 3HZ LYS 54 -4.312 -15.614 -0.360 423 HZ2 LYS 54 1HZ LYS 54 -4.739 -14.439 0.579 424 HZ3 LYS 54 2HZ LYS 54 -4.912 -14.217 -1.054 425 H VAL 55 H VAL 55 -5.153 -10.084 0.435 426 HA VAL 55 HA VAL 55 -4.714 -10.313 3.367 427 HB VAL 55 HB VAL 55 -7.446 -10.209 2.078 428 HG11 VAL 55 1HG1 VAL 55 -6.386 -9.634 4.879 429 HG12 VAL 55 2HG1 VAL 55 -8.053 -9.372 4.361 430 HG13 VAL 55 3HG1 VAL 55 -7.397 -11.010 4.373 431 HG21 VAL 55 3HG2 VAL 55 -7.568 -7.800 2.707 432 HG22 VAL 55 1HG2 VAL 55 -5.832 -7.822 3.105 433 HG23 VAL 55 2HG2 VAL 55 -6.387 -8.070 1.436 434 H LEU 56 H LEU 56 -5.509 -12.089 4.335 435 HA LEU 56 HA LEU 56 -5.451 -14.322 4.765 436 HB2 LEU 56 1HB LEU 56 -7.843 -13.701 4.250 437 HB3 LEU 56 2HB LEU 56 -7.601 -14.272 2.608 438 HG LEU 56 HG LEU 56 -7.214 -16.578 3.454 439 HD11 LEU 56 1HD1 LEU 56 -7.844 -15.352 6.180 440 HD12 LEU 56 2HD1 LEU 56 -7.781 -17.095 5.826 441 HD13 LEU 56 3HD1 LEU 56 -6.317 -16.122 5.690 442 HD21 LEU 56 3HD2 LEU 56 -9.553 -16.973 4.176 443 HD22 LEU 56 1HD2 LEU 56 -9.767 -15.228 4.440 444 HD23 LEU 56 2HD2 LEU 56 -9.465 -15.851 2.808 445 H1 MET 1 1H MET 1 11.986 10.009 6.196 446 H2 MET 1 2H MET 1 12.279 11.609 6.405 447 H3 MET 1 3H MET 1 13.495 10.633 5.877 448 HA MET 1 HA MET 1 12.616 11.928 4.086 449 HB2 MET 1 1HB MET 1 11.928 8.978 3.828 450 HB3 MET 1 2HB MET 1 12.018 10.130 2.494 451 HG2 MET 1 1HG MET 1 14.407 10.657 3.375 452 HG3 MET 1 2HG MET 1 14.251 9.138 4.256 453 HE1 MET 1 3HE MET 1 16.623 7.845 1.759 454 HE2 MET 1 1HE MET 1 16.670 9.626 1.946 455 HE3 MET 1 2HE MET 1 16.329 8.582 3.338 456 H VAL 2 H VAL 2 11.007 12.915 3.155 457 HA VAL 2 HA VAL 2 8.225 12.089 3.607 458 HB VAL 2 HB VAL 2 9.120 14.803 4.684 459 HG11 VAL 2 1HG1 VAL 2 6.878 14.886 3.648 460 HG12 VAL 2 2HG1 VAL 2 6.386 13.451 4.570 461 HG13 VAL 2 3HG1 VAL 2 6.734 14.981 5.404 462 HG21 VAL 2 3HG2 VAL 2 8.275 13.957 6.886 463 HG22 VAL 2 1HG2 VAL 2 8.138 12.336 6.172 464 HG23 VAL 2 2HG2 VAL 2 9.725 13.125 6.330 465 H GLN 3 H GLN 3 10.204 15.003 2.599 466 HA GLN 3 HA GLN 3 8.880 14.954 -0.010 467 HB2 GLN 3 1HB GLN 3 8.740 17.443 0.345 468 HB3 GLN 3 2HB GLN 3 7.551 16.446 1.228 469 HG2 GLN 3 1HG GLN 3 8.945 16.725 3.321 470 HG3 GLN 3 2HG GLN 3 9.981 17.804 2.391 471 HE21 GLN 3 1HE2 GLN 3 9.672 19.792 2.987 472 HE22 GLN 3 2HE2 GLN 3 7.893 20.382 2.886 473 H ASN 4 H ASN 4 10.105 15.700 -1.603 474 HA ASN 4 HA ASN 4 11.841 16.137 -2.892 475 HB2 ASN 4 1HB ASN 4 11.784 18.309 -1.632 476 HB3 ASN 4 2HB ASN 4 13.068 17.685 -0.589 477 HD21 ASN 4 1HD2 ASN 4 15.144 18.287 -1.268 478 HD22 ASN 4 2HD2 ASN 4 15.497 18.613 -2.968 479 H ASP 5 H ASP 5 12.624 14.518 0.134 480 HA ASP 5 HA ASP 5 14.921 13.135 -1.094 481 HB2 ASP 5 1HB ASP 5 14.769 11.852 1.082 482 HB3 ASP 5 2HB ASP 5 15.229 13.545 1.178 483 H PHE 6 H PHE 6 11.617 12.463 -0.086 484 HA PHE 6 HA PHE 6 11.094 10.470 -2.216 485 HB2 PHE 6 1HB PHE 6 9.371 12.369 -0.607 486 HB3 PHE 6 2HB PHE 6 8.760 11.572 -2.042 487 HD1 PHE 6 1HD PHE 6 9.980 10.981 1.399 488 HD2 PHE 6 2HD PHE 6 8.262 9.229 -2.132 489 HE1 PHE 6 1HE PHE 6 9.376 8.943 2.703 490 HE2 PHE 6 2HE PHE 6 7.671 7.212 -0.856 491 HZ PHE 6 HZ PHE 6 8.228 7.051 1.574 492 H VAL 7 H VAL 7 12.303 11.189 -3.890 493 HA VAL 7 HA VAL 7 12.091 13.990 -4.757 494 HB VAL 7 HB VAL 7 14.217 12.946 -4.010 495 HG11 VAL 7 1HG1 VAL 7 15.058 11.658 -6.425 496 HG12 VAL 7 2HG1 VAL 7 15.034 11.060 -4.756 497 HG13 VAL 7 3HG1 VAL 7 13.634 10.820 -5.801 498 HG21 VAL 7 3HG2 VAL 7 14.343 13.967 -6.864 499 HG22 VAL 7 1HG2 VAL 7 14.153 14.979 -5.406 500 HG23 VAL 7 2HG2 VAL 7 15.617 14.014 -5.626 501 H ASP 8 H ASP 8 11.892 14.632 -6.818 502 HA ASP 8 HA ASP 8 11.367 14.781 -8.986 503 HB2 ASP 8 1HB ASP 8 13.421 13.376 -9.054 504 HB3 ASP 8 2HB ASP 8 12.432 11.940 -9.180 505 H SER 9 H SER 9 10.515 11.405 -8.537 506 HA SER 9 HA SER 9 7.804 11.816 -9.771 507 HB2 SER 9 1HB SER 9 9.883 9.893 -10.866 508 HB3 SER 9 2HB SER 9 8.203 10.088 -11.399 509 HG SER 9 HG SER 9 10.141 11.286 -12.539 510 H TYR 10 H TYR 10 7.039 9.276 -10.100 511 HA TYR 10 HA TYR 10 5.770 8.756 -7.613 512 HB2 TYR 10 1HB TYR 10 6.152 6.971 -10.038 513 HB3 TYR 10 2HB TYR 10 5.241 6.517 -8.627 514 HD1 TYR 10 1HD TYR 10 5.408 9.169 -11.305 515 HD2 TYR 10 2HD TYR 10 3.030 7.182 -8.308 516 HE1 TYR 10 1HE TYR 10 3.397 10.427 -12.058 517 HE2 TYR 10 2HE TYR 10 1.017 8.390 -9.096 518 HH TYR 10 HH TYR 10 0.184 10.028 -10.461 519 H ASP 11 H ASP 11 6.494 7.834 -5.784 520 HA ASP 11 HA ASP 11 8.887 6.053 -5.699 521 HB2 ASP 11 1HB ASP 11 8.565 7.672 -3.861 522 HB3 ASP 11 2HB ASP 11 6.963 7.005 -3.528 523 H VAL 12 H VAL 12 8.711 3.905 -5.793 524 HA VAL 12 HA VAL 12 6.094 2.660 -5.110 525 HB VAL 12 HB VAL 12 8.143 1.629 -7.098 526 HG11 VAL 12 1HG1 VAL 12 6.292 -0.091 -7.472 527 HG12 VAL 12 2HG1 VAL 12 7.158 -0.266 -5.941 528 HG13 VAL 12 3HG1 VAL 12 5.535 0.475 -5.991 529 HG21 VAL 12 3HG2 VAL 12 6.684 3.486 -7.966 530 HG22 VAL 12 1HG2 VAL 12 6.349 1.931 -8.741 531 HG23 VAL 12 2HG2 VAL 12 5.264 2.553 -7.476 532 H THR 13 H THR 13 6.116 1.298 -3.529 533 HA THR 13 HA THR 13 8.637 0.133 -2.437 534 HB THR 13 HB THR 13 6.431 1.538 -0.877 535 HG1 THR 13 1HG THR 13 8.091 2.937 -1.691 536 HG21 THR 13 3HG2 THR 13 8.785 -0.165 0.051 537 HG22 THR 13 1HG2 THR 13 7.904 0.962 1.104 538 HG23 THR 13 2HG2 THR 13 7.062 -0.426 0.402 539 H MET 14 H MET 14 8.270 -1.870 -3.288 540 HA MET 14 HA MET 14 5.648 -3.187 -2.689 541 HB2 MET 14 1HB MET 14 6.130 -2.812 -5.084 542 HB3 MET 14 2HB MET 14 7.631 -3.724 -4.938 543 HG2 MET 14 1HG MET 14 6.416 -5.778 -4.503 544 HG3 MET 14 2HG MET 14 4.910 -4.891 -4.265 545 HE1 MET 14 3HE MET 14 7.271 -6.635 -6.829 546 HE2 MET 14 1HE MET 14 6.852 -5.818 -8.353 547 HE3 MET 14 2HE MET 14 7.722 -4.929 -7.080 548 H LEU 15 H LEU 15 5.713 -5.427 -2.036 549 HA LEU 15 HA LEU 15 8.352 -6.572 -1.505 550 HB2 LEU 15 1HB LEU 15 8.012 -7.002 0.851 551 HB3 LEU 15 2HB LEU 15 7.932 -5.289 0.517 552 HG LEU 15 HG LEU 15 5.257 -5.915 0.355 553 HD11 LEU 15 1HD1 LEU 15 5.772 -8.311 1.043 554 HD12 LEU 15 2HD1 LEU 15 6.363 -7.668 2.579 555 HD13 LEU 15 3HD1 LEU 15 4.665 -7.452 2.139 556 HD21 LEU 15 3HD2 LEU 15 6.834 -5.305 2.885 557 HD22 LEU 15 1HD2 LEU 15 6.226 -4.108 1.718 558 HD23 LEU 15 2HD2 LEU 15 5.091 -5.071 2.690 559 H LEU 16 H LEU 16 8.443 -8.678 -1.205 560 HA LEU 16 HA LEU 16 6.099 -10.310 -2.082 561 HB2 LEU 16 1HB LEU 16 9.031 -10.755 -2.702 562 HB3 LEU 16 2HB LEU 16 7.694 -11.714 -3.295 563 HG LEU 16 HG LEU 16 8.437 -10.561 -5.116 564 HD11 LEU 16 1HD1 LEU 16 6.131 -8.867 -4.115 565 HD12 LEU 16 2HD1 LEU 16 6.714 -8.975 -5.775 566 HD13 LEU 16 3HD1 LEU 16 6.031 -10.419 -5.004 567 HD21 LEU 16 3HD2 LEU 16 8.405 -7.842 -3.794 568 HD22 LEU 16 1HD2 LEU 16 9.850 -8.874 -3.888 569 HD23 LEU 16 2HD2 LEU 16 9.051 -8.325 -5.368 570 H GLN 17 H GLN 17 6.611 -12.689 -1.578 571 HA GLN 17 HA GLN 17 7.840 -12.930 1.145 572 HB2 GLN 17 1HB GLN 17 5.402 -13.041 1.032 573 HB3 GLN 17 2HB GLN 17 5.495 -14.397 -0.089 574 HG2 GLN 17 1HG GLN 17 6.508 -15.804 1.652 575 HG3 GLN 17 2HG GLN 17 6.669 -14.402 2.730 576 HE21 GLN 17 1HE2 GLN 17 4.183 -16.351 0.899 577 HE22 GLN 17 2HE2 GLN 17 2.963 -16.068 2.180 578 H ASP 18 H ASP 18 9.121 -14.629 1.700 579 HA ASP 18 HA ASP 18 9.587 -16.830 -0.191 580 HB2 ASP 18 1HB ASP 18 11.237 -14.947 -0.602 581 HB3 ASP 18 2HB ASP 18 11.776 -15.106 1.070 582 H ASP 19 H ASP 19 11.115 -18.357 0.919 583 HA ASP 19 HA ASP 19 11.268 -20.002 2.623 584 HB2 ASP 19 1HB ASP 19 13.261 -18.657 2.161 585 HB3 ASP 19 2HB ASP 19 12.816 -17.533 3.450 586 H ASP 20 H ASP 20 9.093 -19.991 3.332 587 HA ASP 20 HA ASP 20 7.717 -20.653 5.017 588 HB2 ASP 20 1HB ASP 20 10.070 -20.895 6.222 589 HB3 ASP 20 2HB ASP 20 9.488 -19.560 7.190 590 H GLY 21 H GLY 21 8.377 -17.496 4.345 591 HA2 GLY 21 1HA GLY 21 6.274 -16.056 4.582 592 HA3 GLY 21 2HA GLY 21 6.395 -16.364 6.312 593 H LYS 22 H LYS 22 9.486 -16.064 4.893 594 HA LYS 22 HA LYS 22 10.027 -13.490 6.194 595 HB2 LYS 22 1HB LYS 22 11.709 -15.272 4.380 596 HB3 LYS 22 2HB LYS 22 12.277 -13.767 5.137 597 HG2 LYS 22 1HG LYS 22 11.755 -14.687 7.391 598 HG3 LYS 22 2HG LYS 22 11.207 -16.187 6.643 599 HD2 LYS 22 1HD LYS 22 13.575 -16.316 5.564 600 HD3 LYS 22 2HD LYS 22 14.015 -15.017 6.685 601 HE2 LYS 22 1HE LYS 22 14.586 -17.028 7.820 602 HE3 LYS 22 2HE LYS 22 13.061 -16.506 8.555 603 HZ1 LYS 22 3HZ LYS 22 12.924 -18.868 7.985 604 HZ2 LYS 22 1HZ LYS 22 11.968 -18.079 6.864 605 HZ3 LYS 22 2HZ LYS 22 13.442 -18.566 6.447 606 H GLN 23 H GLN 23 9.116 -11.782 5.350 607 HA GLN 23 HA GLN 23 8.693 -11.480 2.488 608 HB2 GLN 23 1HB GLN 23 8.139 -9.761 4.923 609 HB3 GLN 23 2HB GLN 23 7.885 -9.165 3.274 610 HG2 GLN 23 1HG GLN 23 6.330 -10.940 2.749 611 HG3 GLN 23 2HG GLN 23 6.705 -11.805 4.240 612 HE21 GLN 23 1HE2 GLN 23 4.340 -11.836 4.571 613 HE22 GLN 23 2HE2 GLN 23 3.658 -10.374 5.305 614 H TYR 24 H TYR 24 9.657 -10.107 1.080 615 HA TYR 24 HA TYR 24 12.087 -8.652 1.979 616 HB2 TYR 24 1HB TYR 24 13.467 -9.562 0.295 617 HB3 TYR 24 2HB TYR 24 12.772 -10.897 1.185 618 HD1 TYR 24 2HD TYR 24 11.100 -12.411 0.113 619 HD2 TYR 24 1HD TYR 24 12.930 -9.151 -2.055 620 HE1 TYR 24 2HE TYR 24 10.397 -13.432 -2.059 621 HE2 TYR 24 1HE TYR 24 12.249 -10.182 -4.198 622 HH TYR 24 HH TYR 24 11.084 -11.917 -5.200 623 H TYR 25 H TYR 25 12.695 -6.913 0.741 624 HA TYR 25 HA TYR 25 10.291 -5.625 -0.384 625 HB2 TYR 25 1HB TYR 25 12.759 -4.647 1.077 626 HB3 TYR 25 2HB TYR 25 11.683 -3.547 0.243 627 HD1 TYR 25 1HD TYR 25 11.722 -6.140 2.963 628 HD2 TYR 25 2HD TYR 25 9.697 -2.754 1.205 629 HE1 TYR 25 1HE TYR 25 10.229 -6.023 4.926 630 HE2 TYR 25 2HE TYR 25 8.219 -2.618 3.207 631 HH TYR 25 HH TYR 25 8.492 -4.906 5.926 632 H GLU 26 H GLU 26 10.289 -4.212 -1.973 633 HA GLU 26 HA GLU 26 12.549 -3.883 -3.873 634 HB2 GLU 26 1HB GLU 26 9.672 -4.729 -4.384 635 HB3 GLU 26 2HB GLU 26 10.667 -4.018 -5.643 636 HG2 GLU 26 1HG GLU 26 11.321 -6.583 -4.113 637 HG3 GLU 26 2HG GLU 26 10.614 -6.484 -5.718 638 H TYR 27 H TYR 27 12.779 -1.977 -2.538 639 HA TYR 27 HA TYR 27 10.922 0.282 -2.790 640 HB2 TYR 27 1HB TYR 27 13.847 0.038 -1.950 641 HB3 TYR 27 2HB TYR 27 12.955 1.546 -1.984 642 HD1 TYR 27 1HD TYR 27 11.034 1.953 -0.438 643 HD2 TYR 27 2HD TYR 27 13.570 -1.526 -0.103 644 HE1 TYR 27 1HE TYR 27 10.324 1.651 1.925 645 HE2 TYR 27 2HE TYR 27 12.833 -1.839 2.244 646 HH TYR 27 HH TYR 27 11.565 -1.005 3.959 647 H HIS 28 H HIS 28 10.756 1.497 -4.598 648 HA HIS 28 HA HIS 28 13.041 1.889 -6.439 649 HB2 HIS 28 1HB HIS 28 10.324 0.785 -7.248 650 HB3 HIS 28 2HB HIS 28 11.503 1.476 -8.365 651 HD1 HIS 28 1HD HIS 28 13.862 0.137 -8.628 652 HD2 HIS 28 2HD HIS 28 10.792 -1.708 -6.413 653 HE1 HIS 28 1HE HIS 28 14.549 -2.352 -8.344 654 HE2 HIS 28 2HE HIS 28 12.707 -3.471 -6.973 655 H LYS 29 H LYS 29 13.160 3.897 -5.584 656 HA LYS 29 HA LYS 29 10.895 5.730 -5.471 657 HB2 LYS 29 1HB LYS 29 12.716 5.513 -3.785 658 HB3 LYS 29 2HB LYS 29 13.857 6.161 -4.972 659 HG2 LYS 29 1HG LYS 29 12.715 8.313 -4.984 660 HG3 LYS 29 2HG LYS 29 11.344 7.642 -4.088 661 HD2 LYS 29 1HD LYS 29 12.652 8.891 -2.540 662 HD3 LYS 29 2HD LYS 29 12.876 7.187 -2.147 663 HE2 LYS 29 1HE LYS 29 15.053 7.175 -3.323 664 HE3 LYS 29 2HE LYS 29 14.790 8.843 -3.858 665 HZ1 LYS 29 3HZ LYS 29 14.758 9.552 -1.587 666 HZ2 LYS 29 1HZ LYS 29 15.013 8.019 -1.025 667 HZ3 LYS 29 2HZ LYS 29 16.194 8.786 -1.893 668 H GLY 30 H GLY 30 10.728 7.713 -6.633 669 HA2 GLY 30 1HA GLY 30 10.948 9.230 -8.330 670 HA3 GLY 30 2HA GLY 30 12.669 8.866 -8.274 671 H LEU 31 H LEU 31 9.733 7.087 -9.400 672 HA LEU 31 HA LEU 31 10.859 7.029 -12.140 673 HB2 LEU 31 1HB LEU 31 10.399 4.655 -12.414 674 HB3 LEU 31 2HB LEU 31 11.651 4.985 -11.253 675 HG LEU 31 HG LEU 31 10.170 4.446 -9.378 676 HD11 LEU 31 1HD1 LEU 31 7.927 4.990 -10.185 677 HD12 LEU 31 2HD1 LEU 31 8.071 3.778 -11.486 678 HD13 LEU 31 3HD1 LEU 31 8.014 3.276 -9.797 679 HD21 LEU 31 3HD2 LEU 31 11.511 2.688 -10.449 680 HD22 LEU 31 1HD2 LEU 31 9.963 2.026 -9.871 681 HD23 LEU 31 2HD2 LEU 31 10.193 2.349 -11.592 682 H SER 32 H SER 32 8.855 5.647 -13.494 683 HA SER 32 HA SER 32 6.429 7.255 -12.803 684 HB2 SER 32 1HB SER 32 6.275 8.008 -14.955 685 HB3 SER 32 2HB SER 32 8.006 8.099 -14.661 686 HG SER 32 HG SER 32 8.418 6.249 -15.851 687 H LEU 33 H LEU 33 4.512 6.507 -14.320 688 HA LEU 33 HA LEU 33 3.854 3.955 -13.273 689 HB2 LEU 33 1HB LEU 33 2.483 5.722 -15.333 690 HB3 LEU 33 2HB LEU 33 1.810 4.188 -14.823 691 HG LEU 33 HG LEU 33 0.734 5.977 -13.660 692 HD11 LEU 33 1HD1 LEU 33 0.811 4.004 -12.346 693 HD12 LEU 33 2HD1 LEU 33 2.466 4.304 -11.813 694 HD13 LEU 33 3HD1 LEU 33 1.167 5.354 -11.255 695 HD21 LEU 33 3HD2 LEU 33 2.566 7.650 -13.717 696 HD22 LEU 33 1HD2 LEU 33 1.728 7.501 -12.179 697 HD23 LEU 33 2HD2 LEU 33 3.338 6.790 -12.342 698 H SER 34 H SER 34 5.064 4.779 -16.520 699 HA SER 34 HA SER 34 4.738 2.161 -17.639 700 HB2 SER 34 1HB SER 34 6.761 4.367 -18.229 701 HB3 SER 34 2HB SER 34 6.386 2.982 -19.268 702 HG SER 34 HG SER 34 4.114 3.823 -19.087 703 H ASP 35 H ASP 35 7.135 3.523 -15.420 704 HA ASP 35 HA ASP 35 9.040 1.299 -15.711 705 HB2 ASP 35 1HB ASP 35 8.892 3.463 -13.593 706 HB3 ASP 35 2HB ASP 35 10.279 2.471 -13.983 707 H PHE 36 H PHE 36 6.465 2.385 -13.494 708 HA PHE 36 HA PHE 36 6.661 0.237 -11.595 709 HB2 PHE 36 1HB PHE 36 5.334 2.155 -11.040 710 HB3 PHE 36 2HB PHE 36 4.366 1.994 -12.498 711 HD1 PHE 36 1HD PHE 36 5.341 -0.171 -9.586 712 HD2 PHE 36 2HD PHE 36 2.232 1.058 -12.309 713 HE1 PHE 36 1HE PHE 36 3.786 -1.739 -8.502 714 HE2 PHE 36 2HE PHE 36 0.652 -0.497 -11.204 715 HZ PHE 36 HZ PHE 36 1.413 -1.903 -9.315 716 H GLU 37 H GLU 37 4.787 0.486 -14.674 717 HA GLU 37 HA GLU 37 3.663 -2.104 -14.682 718 HB2 GLU 37 1HB GLU 37 4.508 -0.124 -16.775 719 HB3 GLU 37 2HB GLU 37 4.143 -1.756 -17.314 720 HG2 GLU 37 1HG GLU 37 1.927 -1.699 -16.341 721 HG3 GLU 37 2HG GLU 37 2.279 -0.198 -15.489 722 H VAL 38 H VAL 38 6.979 -1.182 -15.534 723 HA VAL 38 HA VAL 38 7.776 -3.815 -16.460 724 HB VAL 38 HB VAL 38 9.402 -1.482 -15.388 725 HG11 VAL 38 1HG1 VAL 38 10.412 -4.011 -16.746 726 HG12 VAL 38 2HG1 VAL 38 11.381 -2.569 -16.356 727 HG13 VAL 38 3HG1 VAL 38 10.703 -3.543 -15.054 728 HG21 VAL 38 3HG2 VAL 38 9.629 -0.736 -17.528 729 HG22 VAL 38 1HG2 VAL 38 9.528 -2.357 -18.247 730 HG23 VAL 38 2HG2 VAL 38 8.061 -1.513 -17.742 731 H LEU 39 H LEU 39 8.099 -2.142 -13.289 732 HA LEU 39 HA LEU 39 9.306 -4.290 -11.871 733 HB2 LEU 39 1HB LEU 39 9.200 -1.943 -11.090 734 HB3 LEU 39 2HB LEU 39 7.456 -2.060 -10.924 735 HG LEU 39 HG LEU 39 7.771 -3.832 -9.165 736 HD11 LEU 39 1HD1 LEU 39 9.989 -4.030 -8.086 737 HD12 LEU 39 2HD1 LEU 39 10.064 -4.584 -9.762 738 HD13 LEU 39 3HD1 LEU 39 10.698 -2.987 -9.347 739 HD21 LEU 39 3HD2 LEU 39 8.430 -2.228 -7.418 740 HD22 LEU 39 1HD2 LEU 39 9.088 -1.138 -8.671 741 HD23 LEU 39 2HD2 LEU 39 7.354 -1.510 -8.632 742 H TYR 40 H TYR 40 5.828 -3.399 -12.018 743 HA TYR 40 HA TYR 40 4.871 -5.673 -10.565 744 HB2 TYR 40 1HB TYR 40 3.605 -3.612 -10.806 745 HB3 TYR 40 2HB TYR 40 3.532 -3.812 -12.551 746 HD1 TYR 40 2HD TYR 40 2.535 -5.576 -9.356 747 HD2 TYR 40 1HD TYR 40 1.668 -4.824 -13.514 748 HE1 TYR 40 2HE TYR 40 0.424 -6.889 -9.161 749 HE2 TYR 40 1HE TYR 40 -0.440 -6.097 -13.307 750 HH TYR 40 HH TYR 40 -1.674 -7.533 -12.047 751 H GLY 41 H GLY 41 5.607 -5.275 -14.055 752 HA2 GLY 41 1HA GLY 41 4.408 -7.809 -14.794 753 HA3 GLY 41 2HA GLY 41 5.419 -6.768 -15.791 754 H ASN 42 H ASN 42 7.619 -7.000 -13.547 755 HA ASN 42 HA ASN 42 8.675 -9.645 -14.452 756 HB2 ASN 42 1HB ASN 42 9.934 -6.932 -13.870 757 HB3 ASN 42 2HB ASN 42 10.865 -8.400 -14.051 758 HD21 ASN 42 1HD2 ASN 42 9.088 -5.951 -15.731 759 HD22 ASN 42 2HD2 ASN 42 9.479 -6.590 -17.358 760 H THR 43 H THR 43 8.106 -7.713 -11.556 761 HA THR 43 HA THR 43 9.822 -9.563 -9.959 762 HB THR 43 HB THR 43 9.192 -6.654 -9.412 763 HG1 THR 43 1HG THR 43 11.449 -7.701 -10.759 764 HG21 THR 43 3HG2 THR 43 11.489 -8.463 -8.547 765 HG22 THR 43 1HG2 THR 43 11.406 -6.709 -8.264 766 HG23 THR 43 2HG2 THR 43 10.221 -7.784 -7.509 767 H ALA 44 H ALA 44 6.582 -8.650 -10.307 768 HA ALA 44 HA ALA 44 5.700 -8.759 -7.556 769 HB1 ALA 44 3HB ALA 44 3.477 -8.688 -8.550 770 HB2 ALA 44 1HB ALA 44 4.544 -7.481 -9.281 771 HB3 ALA 44 2HB ALA 44 4.170 -8.989 -10.156 772 H ASP 45 H ASP 45 7.278 -10.930 -7.758 773 HA ASP 45 HA ASP 45 6.277 -13.274 -8.925 774 HB2 ASP 45 1HB ASP 45 8.632 -12.806 -8.400 775 HB3 ASP 45 2HB ASP 45 8.294 -12.946 -6.673 776 H GLU 46 H GLU 46 6.593 -12.893 -5.424 777 HA GLU 46 HA GLU 46 3.959 -14.281 -5.037 778 HB2 GLU 46 1HB GLU 46 5.921 -15.700 -4.389 779 HB3 GLU 46 2HB GLU 46 6.323 -14.508 -3.148 780 HG2 GLU 46 1HG GLU 46 4.001 -14.844 -2.178 781 HG3 GLU 46 2HG GLU 46 3.725 -16.108 -3.377 782 H ILE 47 H ILE 47 3.303 -12.089 -5.393 783 HA ILE 47 HA ILE 47 4.239 -10.004 -3.693 784 HB ILE 47 HB ILE 47 3.805 -9.824 -6.058 785 HG12 ILE 47 1HG1 ILE 47 3.979 -7.852 -4.534 786 HG13 ILE 47 2HG1 ILE 47 3.258 -7.587 -6.116 787 HG21 ILE 47 1HG2 ILE 47 1.554 -11.110 -5.961 788 HG22 ILE 47 2HG2 ILE 47 0.837 -9.544 -5.655 789 HG23 ILE 47 3HG2 ILE 47 1.779 -9.816 -7.139 790 HD11 ILE 47 3HD1 ILE 47 1.035 -7.410 -5.164 791 HD12 ILE 47 1HD1 ILE 47 1.633 -7.814 -3.539 792 HD13 ILE 47 2HD1 ILE 47 2.149 -6.343 -4.314 793 H ILE 48 H ILE 48 3.548 -9.064 -2.019 794 HA ILE 48 HA ILE 48 1.090 -9.973 -0.674 795 HB ILE 48 HB ILE 48 3.733 -9.049 0.496 796 HG12 ILE 48 1HG1 ILE 48 4.081 -11.249 -0.378 797 HG13 ILE 48 2HG1 ILE 48 4.032 -11.288 1.377 798 HG21 ILE 48 1HG2 ILE 48 2.755 -9.765 2.682 799 HG22 ILE 48 2HG2 ILE 48 1.931 -8.376 1.969 800 HG23 ILE 48 3HG2 ILE 48 1.189 -9.983 1.878 801 HD11 ILE 48 3HD1 ILE 48 1.361 -11.869 0.505 802 HD12 ILE 48 1HD1 ILE 48 2.465 -12.809 -0.512 803 HD13 ILE 48 2HD1 ILE 48 2.538 -12.954 1.257 804 H LYS 49 H LYS 49 3.454 -7.181 -0.685 805 HA LYS 49 HA LYS 49 1.051 -5.403 -0.619 806 HB2 LYS 49 1HB LYS 49 2.372 -5.928 1.632 807 HB3 LYS 49 2HB LYS 49 3.463 -4.691 1.003 808 HG2 LYS 49 1HG LYS 49 1.482 -3.140 0.778 809 HG3 LYS 49 2HG LYS 49 0.476 -4.368 1.528 810 HD2 LYS 49 1HD LYS 49 2.905 -3.006 2.756 811 HD3 LYS 49 2HD LYS 49 1.231 -2.655 3.163 812 HE2 LYS 49 1HE LYS 49 2.609 -5.344 3.631 813 HE3 LYS 49 2HE LYS 49 2.466 -4.072 4.839 814 HZ1 LYS 49 3HZ LYS 49 0.028 -4.291 4.672 815 HZ2 LYS 49 1HZ LYS 49 0.158 -5.490 3.574 816 HZ3 LYS 49 2HZ LYS 49 0.709 -5.730 5.087 817 H LEU 50 H LEU 50 1.194 -3.482 -1.570 818 HA LEU 50 HA LEU 50 3.649 -2.643 -3.023 819 HB2 LEU 50 1HB LEU 50 2.424 -4.306 -4.328 820 HB3 LEU 50 2HB LEU 50 0.981 -3.316 -4.285 821 HG LEU 50 HG LEU 50 3.610 -2.606 -5.661 822 HD11 LEU 50 1HD1 LEU 50 2.593 -4.548 -6.689 823 HD12 LEU 50 2HD1 LEU 50 0.973 -3.830 -6.618 824 HD13 LEU 50 3HD1 LEU 50 2.196 -3.177 -7.716 825 HD21 LEU 50 3HD2 LEU 50 0.858 -1.326 -5.902 826 HD22 LEU 50 1HD2 LEU 50 2.279 -0.562 -5.150 827 HD23 LEU 50 2HD2 LEU 50 2.286 -0.897 -6.864 828 H ARG 51 H ARG 51 3.913 -0.692 -2.297 829 HA ARG 51 HA ARG 51 1.613 1.168 -2.084 830 HB2 ARG 51 1HB ARG 51 3.312 0.546 -0.127 831 HB3 ARG 51 2HB ARG 51 4.339 1.736 -0.911 832 HG2 ARG 51 1HG ARG 51 1.464 2.252 -0.128 833 HG3 ARG 51 2HG ARG 51 2.781 2.503 0.996 834 HD2 ARG 51 1HD ARG 51 2.618 3.963 -1.682 835 HD3 ARG 51 2HD ARG 51 1.888 4.561 -0.204 836 HE ARG 51 HE ARG 51 4.000 4.847 0.811 837 HH11 ARG 51 2HH2 ARG 51 4.510 3.991 -2.652 838 HH12 ARG 51 1HH2 ARG 51 6.179 4.548 -2.480 839 HH21 ARG 51 1HH1 ARG 51 6.224 5.397 0.725 840 HH22 ARG 51 2HH1 ARG 51 7.018 5.120 -0.842 841 H LEU 52 H LEU 52 1.434 2.593 -3.704 842 HA LEU 52 HA LEU 52 3.917 3.659 -4.978 843 HB2 LEU 52 1HB LEU 52 3.003 2.294 -6.614 844 HB3 LEU 52 2HB LEU 52 1.371 2.799 -6.324 845 HG LEU 52 HG LEU 52 3.380 4.805 -7.370 846 HD11 LEU 52 1HD1 LEU 52 1.680 2.888 -9.030 847 HD12 LEU 52 2HD1 LEU 52 2.754 4.182 -9.624 848 HD13 LEU 52 3HD1 LEU 52 3.440 2.773 -8.827 849 HD21 LEU 52 3HD2 LEU 52 1.251 5.837 -6.774 850 HD22 LEU 52 1HD2 LEU 52 1.229 5.635 -8.525 851 HD23 LEU 52 2HD2 LEU 52 0.336 4.507 -7.507 852 H ASP 53 H ASP 53 4.093 5.811 -5.054 853 HA ASP 53 HA ASP 53 1.865 7.555 -4.165 854 HB2 ASP 53 1HB ASP 53 3.061 6.566 -2.176 855 HB3 ASP 53 2HB ASP 53 4.526 7.402 -2.690 856 H LYS 54 H LYS 54 1.802 9.074 -5.725 857 HA LYS 54 HA LYS 54 3.846 9.815 -7.525 858 HB2 LYS 54 1HB LYS 54 1.397 10.299 -7.665 859 HB3 LYS 54 2HB LYS 54 1.617 11.470 -6.367 860 HG2 LYS 54 1HG LYS 54 3.070 12.853 -7.783 861 HG3 LYS 54 2HG LYS 54 3.043 11.609 -9.048 862 HD2 LYS 54 1HD LYS 54 0.532 11.957 -9.186 863 HD3 LYS 54 2HD LYS 54 0.724 13.349 -8.096 864 HE2 LYS 54 1HE LYS 54 2.123 14.510 -9.636 865 HE3 LYS 54 2HE LYS 54 2.432 13.063 -10.576 866 HZ1 LYS 54 3HZ LYS 54 -0.187 14.474 -10.445 867 HZ2 LYS 54 1HZ LYS 54 0.845 14.434 -11.723 868 HZ3 LYS 54 2HZ LYS 54 0.089 13.056 -11.228 869 H VAL 55 H VAL 55 5.488 11.114 -7.559 870 HA VAL 55 HA VAL 55 5.451 13.484 -5.819 871 HB VAL 55 HB VAL 55 8.045 12.337 -6.884 872 HG11 VAL 55 1HG1 VAL 55 9.080 13.976 -5.323 873 HG12 VAL 55 2HG1 VAL 55 8.196 14.739 -6.626 874 HG13 VAL 55 3HG1 VAL 55 7.469 14.646 -4.996 875 HG21 VAL 55 3HG2 VAL 55 8.628 11.804 -4.538 876 HG22 VAL 55 1HG2 VAL 55 6.987 12.274 -4.021 877 HG23 VAL 55 2HG2 VAL 55 7.243 10.856 -5.065 878 H LEU 56 H LEU 56 6.222 15.338 -7.029 879 HA LEU 56 HA LEU 56 5.905 15.207 -9.958 880 HB2 LEU 56 1HB LEU 56 3.659 15.547 -8.836 881 HB3 LEU 56 2HB LEU 56 4.309 16.962 -8.025 882 HG LEU 56 HG LEU 56 4.666 18.067 -10.241 883 HD11 LEU 56 1HD1 LEU 56 3.264 15.575 -11.324 884 HD12 LEU 56 2HD1 LEU 56 3.527 17.078 -12.240 885 HD13 LEU 56 3HD1 LEU 56 4.907 16.118 -11.706 886 HD21 LEU 56 3HD2 LEU 56 2.282 18.495 -10.657 887 HD22 LEU 56 1HD2 LEU 56 1.841 17.045 -9.727 888 HD23 LEU 56 2HD2 LEU 56 2.615 18.423 -8.920 Start of MODEL 15 1 H1 MET 1 1H MET 1 -16.447 -11.011 8.154 2 H2 MET 1 2H MET 1 -15.057 -10.341 8.625 3 H3 MET 1 3H MET 1 -15.193 -11.994 8.574 4 HA MET 1 HA MET 1 -14.201 -11.837 6.590 5 HB2 MET 1 1HB MET 1 -16.702 -12.431 6.452 6 HB3 MET 1 2HB MET 1 -16.962 -10.813 5.816 7 HG2 MET 1 1HG MET 1 -15.576 -11.323 3.881 8 HG3 MET 1 2HG MET 1 -15.125 -12.898 4.575 9 HE1 MET 1 3HE MET 1 -17.585 -13.451 1.534 10 HE2 MET 1 1HE MET 1 -16.421 -12.115 1.765 11 HE3 MET 1 2HE MET 1 -15.937 -13.795 2.137 12 H VAL 2 H VAL 2 -15.580 -9.572 4.640 13 HA VAL 2 HA VAL 2 -13.236 -7.976 4.757 14 HB VAL 2 HB VAL 2 -15.829 -7.275 3.341 15 HG11 VAL 2 1HG1 VAL 2 -14.326 -5.941 1.855 16 HG12 VAL 2 2HG1 VAL 2 -14.259 -5.344 3.512 17 HG13 VAL 2 3HG1 VAL 2 -12.946 -6.360 2.878 18 HG21 VAL 2 3HG2 VAL 2 -13.376 -8.836 2.390 19 HG22 VAL 2 1HG2 VAL 2 -15.023 -9.474 2.554 20 HG23 VAL 2 2HG2 VAL 2 -14.676 -8.260 1.328 21 H GLN 3 H GLN 3 -16.486 -7.451 6.022 22 HA GLN 3 HA GLN 3 -15.968 -4.849 7.180 23 HB2 GLN 3 1HB GLN 3 -18.304 -5.298 8.159 24 HB3 GLN 3 2HB GLN 3 -18.173 -5.141 6.431 25 HG2 GLN 3 1HG GLN 3 -19.725 -6.964 7.279 26 HG3 GLN 3 2HG GLN 3 -18.588 -7.423 6.029 27 HE21 GLN 3 1HE2 GLN 3 -19.492 -7.965 9.443 28 HE22 GLN 3 2HE2 GLN 3 -18.332 -9.271 9.650 29 H ASN 4 H ASN 4 -14.124 -6.615 7.968 30 HA ASN 4 HA ASN 4 -14.331 -6.251 10.896 31 HB2 ASN 4 1HB ASN 4 -13.485 -8.916 9.660 32 HB3 ASN 4 2HB ASN 4 -13.072 -8.442 11.302 33 HD21 ASN 4 1HD2 ASN 4 -15.018 -7.716 12.708 34 HD22 ASN 4 2HD2 ASN 4 -16.452 -8.713 12.492 35 H ASP 5 H ASP 5 -11.908 -7.738 8.760 36 HA ASP 5 HA ASP 5 -10.108 -5.387 9.069 37 HB2 ASP 5 1HB ASP 5 -9.701 -6.965 10.962 38 HB3 ASP 5 2HB ASP 5 -9.313 -8.233 9.807 39 H PHE 6 H PHE 6 -11.623 -6.021 6.893 40 HA PHE 6 HA PHE 6 -11.690 -6.400 4.692 41 HB2 PHE 6 1HB PHE 6 -8.689 -6.318 4.629 42 HB3 PHE 6 2HB PHE 6 -9.800 -5.924 3.330 43 HD1 PHE 6 1HD PHE 6 -11.790 -4.127 4.777 44 HD2 PHE 6 2HD PHE 6 -7.476 -4.335 4.983 45 HE1 PHE 6 1HE PHE 6 -11.703 -1.744 5.394 46 HE2 PHE 6 2HE PHE 6 -7.397 -1.963 5.636 47 HZ PHE 6 HZ PHE 6 -9.519 -0.643 5.849 48 H VAL 7 H VAL 7 -11.213 -8.749 6.575 49 HA VAL 7 HA VAL 7 -9.561 -10.676 5.431 50 HB VAL 7 HB VAL 7 -11.845 -11.185 7.338 51 HG11 VAL 7 1HG1 VAL 7 -11.060 -13.297 6.556 52 HG12 VAL 7 2HG1 VAL 7 -9.375 -12.745 6.467 53 HG13 VAL 7 3HG1 VAL 7 -10.134 -13.042 8.038 54 HG21 VAL 7 3HG2 VAL 7 -10.432 -9.454 8.261 55 HG22 VAL 7 1HG2 VAL 7 -10.083 -10.962 9.099 56 HG23 VAL 7 2HG2 VAL 7 -8.959 -10.362 7.852 57 H ASP 8 H ASP 8 -10.007 -10.768 3.278 58 HA ASP 8 HA ASP 8 -11.446 -13.262 2.771 59 HB2 ASP 8 1HB ASP 8 -13.207 -11.623 2.209 60 HB3 ASP 8 2HB ASP 8 -12.105 -10.727 1.194 61 H SER 9 H SER 9 -10.114 -10.648 0.804 62 HA SER 9 HA SER 9 -7.638 -11.976 0.047 63 HB2 SER 9 1HB SER 9 -9.449 -13.161 -1.309 64 HB3 SER 9 2HB SER 9 -9.731 -11.613 -2.115 65 HG SER 9 HG SER 9 -8.159 -12.185 -3.341 66 H TYR 10 H TYR 10 -7.113 -10.602 -2.194 67 HA TYR 10 HA TYR 10 -5.645 -8.589 -1.071 68 HB2 TYR 10 1HB TYR 10 -6.552 -8.830 -3.935 69 HB3 TYR 10 2HB TYR 10 -5.486 -7.547 -3.400 70 HD1 TYR 10 2HD TYR 10 -5.747 -11.251 -3.769 71 HD2 TYR 10 1HD TYR 10 -3.220 -7.917 -2.752 72 HE1 TYR 10 2HE TYR 10 -3.743 -12.737 -3.854 73 HE2 TYR 10 1HE TYR 10 -1.213 -9.392 -2.867 74 HH TYR 10 HH TYR 10 -0.390 -11.544 -3.189 75 H ASP 11 H ASP 11 -5.699 -6.640 -0.385 76 HA ASP 11 HA ASP 11 -8.135 -4.935 -0.576 77 HB2 ASP 11 1HB ASP 11 -7.348 -5.221 1.688 78 HB3 ASP 11 2HB ASP 11 -5.686 -4.980 1.209 79 H VAL 12 H VAL 12 -8.089 -3.670 -2.422 80 HA VAL 12 HA VAL 12 -5.540 -2.253 -3.007 81 HB VAL 12 HB VAL 12 -8.113 -2.251 -4.640 82 HG11 VAL 12 1HG1 VAL 12 -6.466 -1.168 -6.322 83 HG12 VAL 12 2HG1 VAL 12 -6.959 -0.136 -4.969 84 HG13 VAL 12 3HG1 VAL 12 -5.368 -0.946 -4.986 85 HG21 VAL 12 3HG2 VAL 12 -6.990 -3.565 -6.273 86 HG22 VAL 12 1HG2 VAL 12 -5.420 -3.296 -5.494 87 HG23 VAL 12 2HG2 VAL 12 -6.617 -4.382 -4.743 88 H THR 13 H THR 13 -5.365 -0.223 -2.479 89 HA THR 13 HA THR 13 -7.746 1.440 -1.778 90 HB THR 13 HB THR 13 -5.292 0.961 -0.070 91 HG1 THR 13 1HG THR 13 -7.124 -0.408 0.217 92 HG21 THR 13 3HG2 THR 13 -5.529 3.349 -0.030 93 HG22 THR 13 1HG2 THR 13 -7.294 3.247 0.092 94 HG23 THR 13 2HG2 THR 13 -6.264 2.731 1.449 95 H MET 14 H MET 14 -7.693 2.507 -3.666 96 HA MET 14 HA MET 14 -5.114 3.748 -4.509 97 HB2 MET 14 1HB MET 14 -6.225 1.878 -5.861 98 HB3 MET 14 2HB MET 14 -7.464 3.038 -6.292 99 HG2 MET 14 1HG MET 14 -5.769 4.458 -7.404 100 HG3 MET 14 2HG MET 14 -4.477 3.479 -6.725 101 HE1 MET 14 3HE MET 14 -7.155 2.464 -10.333 102 HE2 MET 14 1HE MET 14 -7.883 2.806 -8.746 103 HE3 MET 14 2HE MET 14 -6.925 4.047 -9.576 104 H LEU 15 H LEU 15 -5.295 5.812 -5.655 105 HA LEU 15 HA LEU 15 -7.583 7.507 -4.852 106 HB2 LEU 15 1HB LEU 15 -5.484 7.096 -3.190 107 HB3 LEU 15 2HB LEU 15 -4.798 8.406 -4.146 108 HG LEU 15 HG LEU 15 -7.502 8.511 -2.738 109 HD11 LEU 15 1HD1 LEU 15 -6.305 9.793 -0.990 110 HD12 LEU 15 2HD1 LEU 15 -5.658 8.147 -1.144 111 HD13 LEU 15 3HD1 LEU 15 -4.768 9.518 -1.842 112 HD21 LEU 15 3HD2 LEU 15 -7.730 10.635 -3.458 113 HD22 LEU 15 1HD2 LEU 15 -6.040 11.047 -3.135 114 HD23 LEU 15 2HD2 LEU 15 -6.490 10.300 -4.662 115 H LEU 16 H LEU 16 -8.078 8.925 -6.317 116 HA LEU 16 HA LEU 16 -6.112 9.767 -8.387 117 HB2 LEU 16 1HB LEU 16 -8.865 8.567 -8.701 118 HB3 LEU 16 2HB LEU 16 -8.471 9.882 -9.767 119 HG LEU 16 HG LEU 16 -8.083 7.830 -10.869 120 HD11 LEU 16 1HD1 LEU 16 -5.639 8.042 -11.508 121 HD12 LEU 16 2HD1 LEU 16 -6.637 9.493 -11.674 122 HD13 LEU 16 3HD1 LEU 16 -5.506 9.341 -10.327 123 HD21 LEU 16 3HD2 LEU 16 -6.473 6.159 -10.247 124 HD22 LEU 16 1HD2 LEU 16 -5.960 7.082 -8.838 125 HD23 LEU 16 2HD2 LEU 16 -7.603 6.393 -8.898 126 H GLN 17 H GLN 17 -7.059 11.691 -9.657 127 HA GLN 17 HA GLN 17 -8.341 13.603 -7.790 128 HB2 GLN 17 1HB GLN 17 -5.861 13.879 -7.913 129 HB3 GLN 17 2HB GLN 17 -6.010 14.199 -9.645 130 HG2 GLN 17 1HG GLN 17 -7.393 16.181 -9.176 131 HG3 GLN 17 2HG GLN 17 -7.406 15.802 -7.448 132 HE21 GLN 17 1HE2 GLN 17 -5.670 17.374 -9.993 133 HE22 GLN 17 2HE2 GLN 17 -4.261 17.784 -9.015 134 H ASP 18 H ASP 18 -9.941 14.734 -8.576 135 HA ASP 18 HA ASP 18 -11.027 14.140 -11.203 136 HB2 ASP 18 1HB ASP 18 -12.285 14.385 -8.977 137 HB3 ASP 18 2HB ASP 18 -11.961 16.120 -9.078 138 H ASP 19 H ASP 19 -11.884 15.943 -12.555 139 HA ASP 19 HA ASP 19 -9.921 17.762 -13.562 140 HB2 ASP 19 1HB ASP 19 -11.811 16.720 -14.818 141 HB3 ASP 19 2HB ASP 19 -12.949 17.683 -13.882 142 H ASP 20 H ASP 20 -12.529 18.123 -11.135 143 HA ASP 20 HA ASP 20 -12.204 21.006 -10.834 144 HB2 ASP 20 1HB ASP 20 -13.536 18.830 -9.179 145 HB3 ASP 20 2HB ASP 20 -13.449 20.486 -8.615 146 H GLY 21 H GLY 21 -9.997 18.614 -10.162 147 HA2 GLY 21 1HA GLY 21 -7.981 18.747 -9.086 148 HA3 GLY 21 2HA GLY 21 -8.448 20.252 -8.277 149 H LYS 22 H LYS 22 -10.861 17.985 -7.850 150 HA LYS 22 HA LYS 22 -10.256 17.654 -4.994 151 HB2 LYS 22 1HB LYS 22 -12.597 16.727 -6.723 152 HB3 LYS 22 2HB LYS 22 -12.483 16.491 -4.971 153 HG2 LYS 22 1HG LYS 22 -12.290 18.946 -4.641 154 HG3 LYS 22 2HG LYS 22 -12.447 19.198 -6.392 155 HD2 LYS 22 1HD LYS 22 -14.669 18.133 -6.374 156 HD3 LYS 22 2HD LYS 22 -14.521 17.831 -4.625 157 HE2 LYS 22 1HE LYS 22 -14.261 20.263 -4.220 158 HE3 LYS 22 2HE LYS 22 -14.397 20.588 -5.952 159 HZ1 LYS 22 3HZ LYS 22 -16.613 19.850 -5.943 160 HZ2 LYS 22 1HZ LYS 22 -16.502 19.194 -4.437 161 HZ3 LYS 22 2HZ LYS 22 -16.508 20.826 -4.624 162 H GLN 23 H GLN 23 -9.348 15.941 -4.054 163 HA GLN 23 HA GLN 23 -8.654 13.605 -5.714 164 HB2 GLN 23 1HB GLN 23 -7.815 14.467 -2.925 165 HB3 GLN 23 2HB GLN 23 -7.296 12.974 -3.726 166 HG2 GLN 23 1HG GLN 23 -6.403 14.284 -5.636 167 HG3 GLN 23 2HG GLN 23 -6.849 15.789 -4.827 168 HE21 GLN 23 1HE2 GLN 23 -4.333 15.735 -5.549 169 HE22 GLN 23 2HE2 GLN 23 -3.336 15.393 -4.094 170 H TYR 24 H TYR 24 -9.430 11.590 -5.460 171 HA TYR 24 HA TYR 24 -11.399 11.099 -3.292 172 HB2 TYR 24 1HB TYR 24 -13.014 10.196 -4.848 173 HB3 TYR 24 2HB TYR 24 -12.677 11.872 -5.224 174 HD1 TYR 24 2HD TYR 24 -12.323 8.365 -6.367 175 HD2 TYR 24 1HD TYR 24 -11.496 12.504 -7.317 176 HE1 TYR 24 2HE TYR 24 -11.895 7.746 -8.735 177 HE2 TYR 24 1HE TYR 24 -11.087 11.881 -9.675 178 HH TYR 24 HH TYR 24 -11.013 10.193 -11.200 179 H TYR 25 H TYR 25 -11.651 9.041 -2.662 180 HA TYR 25 HA TYR 25 -9.372 7.247 -3.145 181 HB2 TYR 25 1HB TYR 25 -11.693 7.283 -1.176 182 HB3 TYR 25 2HB TYR 25 -10.607 5.918 -1.319 183 HD1 TYR 25 2HD TYR 25 -10.832 9.467 -0.260 184 HD2 TYR 25 1HD TYR 25 -8.314 5.972 -0.563 185 HE1 TYR 25 2HE TYR 25 -9.254 10.473 1.355 186 HE2 TYR 25 1HE TYR 25 -6.742 6.972 1.092 187 HH TYR 25 HH TYR 25 -7.312 10.191 2.538 188 H GLU 26 H GLU 26 -9.510 5.203 -3.706 189 HA GLU 26 HA GLU 26 -12.010 3.957 -4.698 190 HB2 GLU 26 1HB GLU 26 -9.280 4.196 -6.030 191 HB3 GLU 26 2HB GLU 26 -10.452 2.963 -6.512 192 HG2 GLU 26 1HG GLU 26 -11.045 5.956 -6.615 193 HG3 GLU 26 2HG GLU 26 -10.356 5.037 -7.941 194 H TYR 27 H TYR 27 -11.940 3.229 -2.505 195 HA TYR 27 HA TYR 27 -10.077 1.137 -1.658 196 HB2 TYR 27 1HB TYR 27 -12.908 1.800 -0.725 197 HB3 TYR 27 2HB TYR 27 -11.777 0.732 0.073 198 HD1 TYR 27 2HD TYR 27 -9.449 1.785 0.732 199 HD2 TYR 27 1HD TYR 27 -13.026 4.063 -0.004 200 HE1 TYR 27 2HE TYR 27 -8.622 3.584 2.267 201 HE2 TYR 27 1HE TYR 27 -12.210 5.854 1.498 202 HH TYR 27 HH TYR 27 -10.368 6.647 2.720 203 H HIS 28 H HIS 28 -10.080 -0.866 -2.540 204 HA HIS 28 HA HIS 28 -12.652 -2.161 -3.286 205 HB2 HIS 28 1HB HIS 28 -10.296 -1.861 -5.190 206 HB3 HIS 28 2HB HIS 28 -11.695 -2.907 -5.438 207 HD1 HIS 28 1HD HIS 28 -14.070 -1.730 -5.845 208 HD2 HIS 28 2HD HIS 28 -10.666 0.735 -5.794 209 HE1 HIS 28 1HE HIS 28 -14.792 0.526 -6.906 210 HE2 HIS 28 2HE HIS 28 -12.742 2.050 -6.866 211 H LYS 29 H LYS 29 -12.562 -3.674 -1.727 212 HA LYS 29 HA LYS 29 -10.020 -5.220 -1.336 213 HB2 LYS 29 1HB LYS 29 -12.207 -4.430 0.641 214 HB3 LYS 29 2HB LYS 29 -10.791 -5.399 1.038 215 HG2 LYS 29 1HG LYS 29 -9.394 -3.661 1.077 216 HG3 LYS 29 2HG LYS 29 -10.111 -2.799 -0.261 217 HD2 LYS 29 1HD LYS 29 -12.068 -2.156 1.271 218 HD3 LYS 29 2HD LYS 29 -11.161 -2.850 2.600 219 HE2 LYS 29 1HE LYS 29 -10.100 -0.679 0.759 220 HE3 LYS 29 2HE LYS 29 -10.933 -0.332 2.272 221 HZ1 LYS 29 3HZ LYS 29 -9.063 -1.822 3.279 222 HZ2 LYS 29 1HZ LYS 29 -8.334 -1.643 1.818 223 HZ3 LYS 29 2HZ LYS 29 -8.644 -0.322 2.729 224 H GLY 30 H GLY 30 -10.220 -7.382 -0.488 225 HA2 GLY 30 1HA GLY 30 -11.123 -9.506 -0.417 226 HA3 GLY 30 2HA GLY 30 -12.738 -8.825 -0.634 227 H LEU 31 H LEU 31 -9.880 -8.454 -2.777 228 HA LEU 31 HA LEU 31 -11.274 -9.990 -4.908 229 HB2 LEU 31 1HB LEU 31 -10.898 -8.186 -6.530 230 HB3 LEU 31 2HB LEU 31 -12.041 -7.809 -5.277 231 HG LEU 31 HG LEU 31 -10.482 -6.337 -4.137 232 HD11 LEU 31 1HD1 LEU 31 -8.269 -7.303 -4.701 233 HD12 LEU 31 2HD1 LEU 31 -8.511 -6.865 -6.413 234 HD13 LEU 31 3HD1 LEU 31 -8.387 -5.614 -5.169 235 HD21 LEU 31 3HD2 LEU 31 -11.926 -5.549 -6.048 236 HD22 LEU 31 1HD2 LEU 31 -10.444 -4.593 -5.761 237 HD23 LEU 31 2HD2 LEU 31 -10.514 -5.722 -7.117 238 H SER 32 H SER 32 -9.278 -9.332 -6.958 239 HA SER 32 HA SER 32 -6.813 -10.416 -5.723 240 HB2 SER 32 1HB SER 32 -6.811 -12.317 -7.002 241 HB3 SER 32 2HB SER 32 -8.480 -12.222 -6.491 242 HG SER 32 HG SER 32 -9.211 -11.675 -8.496 243 H LEU 33 H LEU 33 -5.156 -10.823 -7.670 244 HA LEU 33 HA LEU 33 -4.443 -8.175 -8.451 245 HB2 LEU 33 1HB LEU 33 -3.370 -10.891 -9.327 246 HB3 LEU 33 2HB LEU 33 -2.706 -9.374 -9.840 247 HG LEU 33 HG LEU 33 -1.318 -10.109 -8.092 248 HD11 LEU 33 1HD1 LEU 33 -1.476 -8.407 -6.314 249 HD12 LEU 33 2HD1 LEU 33 -1.888 -7.659 -7.860 250 HD13 LEU 33 3HD1 LEU 33 -3.158 -8.098 -6.710 251 HD21 LEU 33 3HD2 LEU 33 -1.966 -10.878 -5.935 252 HD22 LEU 33 1HD2 LEU 33 -3.657 -10.454 -6.190 253 HD23 LEU 33 2HD2 LEU 33 -2.910 -11.796 -7.097 254 H SER 34 H SER 34 -6.123 -10.734 -10.280 255 HA SER 34 HA SER 34 -6.024 -9.367 -12.809 256 HB2 SER 34 1HB SER 34 -7.906 -11.475 -11.667 257 HB3 SER 34 2HB SER 34 -7.909 -10.901 -13.344 258 HG SER 34 HG SER 34 -6.230 -12.661 -12.122 259 H ASP 35 H ASP 35 -8.056 -9.018 -9.916 260 HA ASP 35 HA ASP 35 -10.072 -7.353 -11.242 261 HB2 ASP 35 1HB ASP 35 -9.503 -7.798 -8.295 262 HB3 ASP 35 2HB ASP 35 -10.969 -7.127 -8.992 263 H PHE 36 H PHE 36 -7.139 -6.907 -9.259 264 HA PHE 36 HA PHE 36 -7.256 -4.033 -9.116 265 HB2 PHE 36 1HB PHE 36 -5.746 -5.194 -7.658 266 HB3 PHE 36 2HB PHE 36 -4.991 -6.035 -9.000 267 HD1 PHE 36 1HD PHE 36 -5.738 -2.380 -8.365 268 HD2 PHE 36 2HD PHE 36 -2.785 -5.374 -9.347 269 HE1 PHE 36 1HE PHE 36 -4.067 -0.605 -8.749 270 HE2 PHE 36 2HE PHE 36 -1.106 -3.592 -9.703 271 HZ PHE 36 HZ PHE 36 -1.748 -1.207 -9.440 272 H GLU 37 H GLU 37 -5.799 -6.231 -11.585 273 HA GLU 37 HA GLU 37 -4.830 -4.244 -13.364 274 HB2 GLU 37 1HB GLU 37 -5.772 -7.100 -13.636 275 HB3 GLU 37 2HB GLU 37 -5.459 -6.178 -15.095 276 HG2 GLU 37 1HG GLU 37 -3.403 -6.340 -12.866 277 HG3 GLU 37 2HG GLU 37 -3.511 -7.582 -14.101 278 H VAL 38 H VAL 38 -8.147 -5.453 -12.950 279 HA VAL 38 HA VAL 38 -9.266 -3.968 -15.185 280 HB VAL 38 HB VAL 38 -10.600 -5.051 -12.672 281 HG11 VAL 38 1HG1 VAL 38 -12.736 -4.732 -13.895 282 HG12 VAL 38 2HG1 VAL 38 -11.965 -3.188 -13.532 283 HG13 VAL 38 3HG1 VAL 38 -11.861 -3.858 -15.175 284 HG21 VAL 38 3HG2 VAL 38 -9.657 -6.726 -14.334 285 HG22 VAL 38 1HG2 VAL 38 -11.400 -6.827 -14.098 286 HG23 VAL 38 2HG2 VAL 38 -10.733 -6.039 -15.551 287 H LEU 39 H LEU 39 -9.086 -3.269 -11.648 288 HA LEU 39 HA LEU 39 -10.313 -0.723 -11.756 289 HB2 LEU 39 1HB LEU 39 -9.913 -1.949 -9.680 290 HB3 LEU 39 2HB LEU 39 -8.174 -1.802 -9.890 291 HG LEU 39 HG LEU 39 -8.347 0.673 -9.645 292 HD11 LEU 39 1HD1 LEU 39 -11.278 0.098 -9.016 293 HD12 LEU 39 2HD1 LEU 39 -10.453 1.648 -8.712 294 HD13 LEU 39 3HD1 LEU 39 -10.671 1.085 -10.363 295 HD21 LEU 39 3HD2 LEU 39 -8.743 0.613 -7.222 296 HD22 LEU 39 1HD2 LEU 39 -9.569 -0.966 -7.403 297 HD23 LEU 39 2HD2 LEU 39 -7.854 -0.805 -7.799 298 H TYR 40 H TYR 40 -6.811 -1.472 -11.926 299 HA TYR 40 HA TYR 40 -5.902 1.220 -12.317 300 HB2 TYR 40 1HB TYR 40 -4.537 -0.690 -11.527 301 HB3 TYR 40 2HB TYR 40 -4.652 -1.440 -13.105 302 HD1 TYR 40 1HD TYR 40 -3.196 1.394 -11.176 303 HD2 TYR 40 2HD TYR 40 -3.286 -0.654 -14.972 304 HE1 TYR 40 1HE TYR 40 -1.110 2.557 -11.859 305 HE2 TYR 40 2HE TYR 40 -1.233 0.544 -15.669 306 HH TYR 40 HH TYR 40 0.418 2.030 -15.147 307 H GLY 41 H GLY 41 -6.669 -1.402 -14.722 308 HA2 GLY 41 1HA GLY 41 -5.943 0.166 -17.010 309 HA3 GLY 41 2HA GLY 41 -6.857 -1.341 -16.998 310 H ASN 42 H ASN 42 -9.049 -0.142 -15.265 311 HA ASN 42 HA ASN 42 -10.619 1.112 -17.385 312 HB2 ASN 42 1HB ASN 42 -11.576 -0.553 -15.817 313 HB3 ASN 42 2HB ASN 42 -11.163 0.470 -14.442 314 HD21 ASN 42 1HD2 ASN 42 -13.164 0.433 -17.467 315 HD22 ASN 42 2HD2 ASN 42 -14.356 1.524 -16.752 316 H THR 43 H THR 43 -9.096 2.087 -14.325 317 HA THR 43 HA THR 43 -10.232 4.690 -14.288 318 HB THR 43 HB THR 43 -7.679 3.797 -12.891 319 HG1 THR 43 1HG THR 43 -9.020 2.478 -11.969 320 HG21 THR 43 3HG2 THR 43 -8.463 5.484 -11.203 321 HG22 THR 43 1HG2 THR 43 -7.997 6.218 -12.753 322 HG23 THR 43 2HG2 THR 43 -9.715 6.009 -12.331 323 H ALA 44 H ALA 44 -7.060 3.485 -15.328 324 HA ALA 44 HA ALA 44 -5.435 4.201 -16.689 325 HB1 ALA 44 3HB ALA 44 -7.748 5.289 -18.306 326 HB2 ALA 44 1HB ALA 44 -6.213 4.612 -18.897 327 HB3 ALA 44 2HB ALA 44 -7.405 3.554 -18.125 328 H ASP 45 H ASP 45 -5.931 6.291 -14.631 329 HA ASP 45 HA ASP 45 -4.794 8.596 -16.120 330 HB2 ASP 45 1HB ASP 45 -7.207 8.934 -15.488 331 HB3 ASP 45 2HB ASP 45 -6.755 8.729 -13.801 332 H GLU 46 H GLU 46 -3.680 10.093 -14.667 333 HA GLU 46 HA GLU 46 -1.426 8.679 -13.584 334 HB2 GLU 46 1HB GLU 46 -2.124 11.631 -13.514 335 HB3 GLU 46 2HB GLU 46 -0.562 10.960 -13.040 336 HG2 GLU 46 1HG GLU 46 -1.753 10.556 -15.822 337 HG3 GLU 46 2HG GLU 46 -0.717 11.902 -15.406 338 H ILE 47 H ILE 47 -1.754 7.523 -11.845 339 HA ILE 47 HA ILE 47 -3.317 7.860 -9.621 340 HB ILE 47 HB ILE 47 -0.511 6.678 -9.734 341 HG12 ILE 47 1HG1 ILE 47 -1.917 5.602 -11.408 342 HG13 ILE 47 2HG1 ILE 47 -1.611 4.505 -10.074 343 HG21 ILE 47 1HG2 ILE 47 -2.671 6.355 -7.629 344 HG22 ILE 47 2HG2 ILE 47 -1.375 5.181 -7.861 345 HG23 ILE 47 3HG2 ILE 47 -0.970 6.829 -7.420 346 HD11 ILE 47 3HD1 ILE 47 -4.031 5.652 -9.303 347 HD12 ILE 47 1HD1 ILE 47 -4.157 5.575 -11.072 348 HD13 ILE 47 2HD1 ILE 47 -3.797 4.108 -10.134 349 H ILE 48 H ILE 48 -3.207 8.692 -7.616 350 HA ILE 48 HA ILE 48 -1.139 10.687 -6.925 351 HB ILE 48 HB ILE 48 -3.881 10.209 -5.690 352 HG12 ILE 48 1HG1 ILE 48 -4.229 11.093 -7.904 353 HG13 ILE 48 2HG1 ILE 48 -4.614 12.314 -6.698 354 HG21 ILE 48 1HG2 ILE 48 -1.642 11.507 -4.548 355 HG22 ILE 48 2HG2 ILE 48 -2.700 12.806 -5.093 356 HG23 ILE 48 3HG2 ILE 48 -3.322 11.561 -4.009 357 HD11 ILE 48 3HD1 ILE 48 -3.432 13.241 -8.670 358 HD12 ILE 48 1HD1 ILE 48 -2.498 13.503 -7.196 359 HD13 ILE 48 2HD1 ILE 48 -2.039 12.215 -8.338 360 H LYS 49 H LYS 49 -3.131 8.051 -5.481 361 HA LYS 49 HA LYS 49 -0.681 6.941 -4.255 362 HB2 LYS 49 1HB LYS 49 -3.249 7.330 -2.661 363 HB3 LYS 49 2HB LYS 49 -1.816 6.454 -2.142 364 HG2 LYS 49 1HG LYS 49 -0.508 8.587 -2.329 365 HG3 LYS 49 2HG LYS 49 -2.008 9.448 -2.672 366 HD2 LYS 49 1HD LYS 49 -2.976 8.601 -0.500 367 HD3 LYS 49 2HD LYS 49 -1.432 7.797 -0.159 368 HE2 LYS 49 1HE LYS 49 -1.676 10.795 -0.557 369 HE3 LYS 49 2HE LYS 49 -1.721 9.983 0.996 370 HZ1 LYS 49 3HZ LYS 49 0.575 8.989 -0.228 371 HZ2 LYS 49 1HZ LYS 49 0.464 10.518 -0.723 372 HZ3 LYS 49 2HZ LYS 49 0.477 10.208 0.909 373 H LEU 50 H LEU 50 -0.687 4.796 -4.008 374 HA LEU 50 HA LEU 50 -3.058 3.126 -4.613 375 HB2 LEU 50 1HB LEU 50 -2.192 3.380 -6.786 376 HB3 LEU 50 2HB LEU 50 -0.530 3.399 -6.229 377 HG LEU 50 HG LEU 50 -0.602 0.979 -5.790 378 HD11 LEU 50 1HD1 LEU 50 -2.499 -0.391 -6.551 379 HD12 LEU 50 2HD1 LEU 50 -3.043 0.700 -5.281 380 HD13 LEU 50 3HD1 LEU 50 -3.414 1.070 -6.974 381 HD21 LEU 50 3HD2 LEU 50 -0.691 0.276 -8.130 382 HD22 LEU 50 1HD2 LEU 50 -1.585 1.754 -8.566 383 HD23 LEU 50 2HD2 LEU 50 0.096 1.848 -7.996 384 H ARG 51 H ARG 51 -3.180 1.880 -2.889 385 HA ARG 51 HA ARG 51 -0.700 0.456 -2.023 386 HB2 ARG 51 1HB ARG 51 -1.896 1.932 -0.265 387 HB3 ARG 51 2HB ARG 51 -3.232 0.792 -0.393 388 HG2 ARG 51 1HG ARG 51 -1.735 -1.081 0.263 389 HG3 ARG 51 2HG ARG 51 -0.366 0.023 0.283 390 HD2 ARG 51 1HD ARG 51 -1.203 -0.499 2.552 391 HD3 ARG 51 2HD ARG 51 -1.226 1.222 2.170 392 HE ARG 51 HE ARG 51 -3.433 1.216 2.681 393 HH11 ARG 51 2HH2 ARG 51 -2.900 -2.258 1.804 394 HH12 ARG 51 1HH2 ARG 51 -4.624 -2.486 1.995 395 HH21 ARG 51 1HH1 ARG 51 -5.580 0.520 2.989 396 HH22 ARG 51 2HH1 ARG 51 -5.850 -1.209 2.657 397 H LEU 52 H LEU 52 -0.755 -1.711 -2.065 398 HA LEU 52 HA LEU 52 -3.316 -3.009 -2.087 399 HB2 LEU 52 1HB LEU 52 -3.143 -3.109 -4.398 400 HB3 LEU 52 2HB LEU 52 -1.419 -3.355 -4.399 401 HG LEU 52 HG LEU 52 -2.947 -5.561 -3.121 402 HD11 LEU 52 1HD1 LEU 52 -3.211 -5.183 -6.103 403 HD12 LEU 52 2HD1 LEU 52 -3.723 -6.598 -5.123 404 HD13 LEU 52 3HD1 LEU 52 -4.512 -5.076 -4.885 405 HD21 LEU 52 3HD2 LEU 52 -1.302 -6.894 -3.882 406 HD22 LEU 52 1HD2 LEU 52 -1.089 -6.043 -5.419 407 HD23 LEU 52 2HD2 LEU 52 -0.410 -5.389 -3.893 408 H ASP 53 H ASP 53 -3.324 -4.863 -0.800 409 HA ASP 53 HA ASP 53 -0.829 -6.312 -0.586 410 HB2 ASP 53 1HB ASP 53 -0.977 -6.413 2.022 411 HB3 ASP 53 2HB ASP 53 -0.159 -5.093 1.212 412 H LYS 54 H LYS 54 -0.929 -8.411 0.149 413 HA LYS 54 HA LYS 54 -3.470 -9.686 -0.425 414 HB2 LYS 54 1HB LYS 54 -2.430 -11.728 -0.111 415 HB3 LYS 54 2HB LYS 54 -1.120 -10.707 -0.691 416 HG2 LYS 54 1HG LYS 54 -0.198 -10.508 1.558 417 HG3 LYS 54 2HG LYS 54 -1.568 -11.367 2.264 418 HD2 LYS 54 1HD LYS 54 -1.048 -13.363 0.793 419 HD3 LYS 54 2HD LYS 54 0.406 -12.553 0.277 420 HE2 LYS 54 1HE LYS 54 1.143 -13.955 2.009 421 HE3 LYS 54 2HE LYS 54 1.006 -12.380 2.800 422 HZ1 LYS 54 3HZ LYS 54 -1.050 -13.092 3.818 423 HZ2 LYS 54 1HZ LYS 54 -1.215 -14.367 2.856 424 HZ3 LYS 54 2HZ LYS 54 -0.046 -14.389 4.010 425 H VAL 55 H VAL 55 -4.803 -10.878 0.924 426 HA VAL 55 HA VAL 55 -4.612 -10.375 3.841 427 HB VAL 55 HB VAL 55 -7.244 -10.351 2.469 428 HG11 VAL 55 1HG1 VAL 55 -8.068 -9.553 4.443 429 HG12 VAL 55 2HG1 VAL 55 -6.548 -10.107 5.148 430 HG13 VAL 55 3HG1 VAL 55 -6.754 -8.411 4.712 431 HG21 VAL 55 3HG2 VAL 55 -5.563 -7.810 2.721 432 HG22 VAL 55 1HG2 VAL 55 -6.107 -8.571 1.212 433 HG23 VAL 55 2HG2 VAL 55 -7.293 -7.856 2.299 434 H LEU 56 H LEU 56 -4.299 -12.443 2.066 435 HA LEU 56 HA LEU 56 -5.469 -14.729 3.612 436 HB2 LEU 56 1HB LEU 56 -6.597 -14.593 1.394 437 HB3 LEU 56 2HB LEU 56 -5.038 -14.738 0.586 438 HG LEU 56 HG LEU 56 -4.759 -17.009 1.633 439 HD11 LEU 56 1HD1 LEU 56 -6.824 -18.097 2.587 440 HD12 LEU 56 2HD1 LEU 56 -6.213 -16.803 3.615 441 HD13 LEU 56 3HD1 LEU 56 -7.628 -16.512 2.580 442 HD21 LEU 56 3HD2 LEU 56 -5.599 -16.828 -0.624 443 HD22 LEU 56 1HD2 LEU 56 -6.510 -18.099 0.208 444 HD23 LEU 56 2HD2 LEU 56 -7.251 -16.505 -0.050 445 H1 MET 1 1H MET 1 17.215 16.095 -10.761 446 H2 MET 1 2H MET 1 18.362 16.795 -9.806 447 H3 MET 1 3H MET 1 16.855 17.441 -9.878 448 HA MET 1 HA MET 1 15.994 15.299 -8.994 449 HB2 MET 1 1HB MET 1 18.975 14.997 -8.395 450 HB3 MET 1 2HB MET 1 17.702 14.186 -7.464 451 HG2 MET 1 1HG MET 1 18.410 12.635 -9.097 452 HG3 MET 1 2HG MET 1 16.810 13.210 -9.583 453 HE1 MET 1 3HE MET 1 19.014 12.135 -12.630 454 HE2 MET 1 1HE MET 1 18.178 11.536 -11.186 455 HE3 MET 1 2HE MET 1 17.258 12.408 -12.442 456 H VAL 2 H VAL 2 15.019 15.692 -7.178 457 HA VAL 2 HA VAL 2 16.263 17.338 -5.105 458 HB VAL 2 HB VAL 2 15.333 19.042 -6.637 459 HG11 VAL 2 1HG1 VAL 2 13.001 19.325 -7.068 460 HG12 VAL 2 2HG1 VAL 2 13.404 17.660 -7.510 461 HG13 VAL 2 3HG1 VAL 2 12.569 17.989 -5.980 462 HG21 VAL 2 3HG2 VAL 2 14.116 20.353 -4.991 463 HG22 VAL 2 1HG2 VAL 2 13.765 18.916 -4.025 464 HG23 VAL 2 2HG2 VAL 2 15.443 19.493 -4.195 465 H GLN 3 H GLN 3 15.228 17.043 -3.055 466 HA GLN 3 HA GLN 3 13.785 14.508 -2.895 467 HB2 GLN 3 1HB GLN 3 14.915 16.417 -0.814 468 HB3 GLN 3 2HB GLN 3 14.138 14.865 -0.480 469 HG2 GLN 3 1HG GLN 3 15.889 13.750 -1.939 470 HG3 GLN 3 2HG GLN 3 16.684 15.324 -2.113 471 HE21 GLN 3 1HE2 GLN 3 18.529 15.412 -0.773 472 HE22 GLN 3 2HE2 GLN 3 18.471 14.815 0.872 473 H ASN 4 H ASN 4 11.829 15.377 -3.984 474 HA ASN 4 HA ASN 4 10.238 17.352 -2.534 475 HB2 ASN 4 1HB ASN 4 9.700 15.512 -4.891 476 HB3 ASN 4 2HB ASN 4 8.412 16.455 -4.149 477 HD21 ASN 4 1HD2 ASN 4 9.570 16.694 -6.905 478 HD22 ASN 4 2HD2 ASN 4 10.119 18.376 -6.926 479 H ASP 5 H ASP 5 9.916 13.783 -2.904 480 HA ASP 5 HA ASP 5 9.042 13.717 -0.088 481 HB2 ASP 5 1HB ASP 5 6.920 14.037 -1.441 482 HB3 ASP 5 2HB ASP 5 7.195 12.438 -2.126 483 H PHE 6 H PHE 6 10.752 12.626 0.459 484 HA PHE 6 HA PHE 6 12.654 11.385 0.430 485 HB2 PHE 6 1HB PHE 6 11.478 9.500 -1.636 486 HB3 PHE 6 2HB PHE 6 12.916 9.289 -0.674 487 HD1 PHE 6 2HD PHE 6 12.468 9.350 2.019 488 HD2 PHE 6 1HD PHE 6 9.637 8.229 -1.043 489 HE1 PHE 6 2HE PHE 6 11.333 7.852 3.614 490 HE2 PHE 6 1HE PHE 6 8.503 6.725 0.554 491 HZ PHE 6 HZ PHE 6 9.357 6.518 2.899 492 H VAL 7 H VAL 7 11.165 11.614 -2.759 493 HA VAL 7 HA VAL 7 13.690 12.391 -4.098 494 HB VAL 7 HB VAL 7 13.025 9.932 -3.713 495 HG11 VAL 7 1HG1 VAL 7 11.039 10.413 -5.949 496 HG12 VAL 7 2HG1 VAL 7 11.390 8.882 -5.152 497 HG13 VAL 7 3HG1 VAL 7 10.616 10.171 -4.239 498 HG21 VAL 7 3HG2 VAL 7 14.676 10.813 -5.463 499 HG22 VAL 7 1HG2 VAL 7 14.033 9.183 -5.690 500 HG23 VAL 7 2HG2 VAL 7 13.389 10.515 -6.655 501 H ASP 8 H ASP 8 13.179 12.705 -6.594 502 HA ASP 8 HA ASP 8 10.471 13.843 -6.968 503 HB2 ASP 8 1HB ASP 8 11.264 15.054 -8.874 504 HB3 ASP 8 2HB ASP 8 12.042 15.544 -7.405 505 H SER 9 H SER 9 9.519 13.459 -8.887 506 HA SER 9 HA SER 9 8.275 11.919 -10.088 507 HB2 SER 9 1HB SER 9 10.998 11.108 -10.798 508 HB3 SER 9 2HB SER 9 9.942 9.743 -10.699 509 HG SER 9 HG SER 9 9.694 10.690 -12.806 510 H TYR 10 H TYR 10 7.658 9.419 -10.067 511 HA TYR 10 HA TYR 10 6.397 9.267 -7.517 512 HB2 TYR 10 1HB TYR 10 6.718 7.249 -9.805 513 HB3 TYR 10 2HB TYR 10 5.834 6.865 -8.367 514 HD1 TYR 10 2HD TYR 10 5.869 9.371 -11.190 515 HD2 TYR 10 1HD TYR 10 3.625 7.378 -8.101 516 HE1 TYR 10 2HE TYR 10 3.743 10.371 -12.071 517 HE2 TYR 10 1HE TYR 10 1.525 8.328 -8.999 518 HH TYR 10 HH TYR 10 0.589 9.867 -10.371 519 H ASP 11 H ASP 11 6.402 7.743 -5.945 520 HA ASP 11 HA ASP 11 8.969 6.318 -5.355 521 HB2 ASP 11 1HB ASP 11 9.070 7.983 -3.782 522 HB3 ASP 11 2HB ASP 11 7.356 8.333 -3.882 523 H VAL 12 H VAL 12 8.807 4.247 -5.238 524 HA VAL 12 HA VAL 12 6.202 2.960 -4.627 525 HB VAL 12 HB VAL 12 8.356 2.118 -6.587 526 HG11 VAL 12 1HG1 VAL 12 6.692 0.323 -7.172 527 HG12 VAL 12 2HG1 VAL 12 7.468 0.076 -5.607 528 HG13 VAL 12 3HG1 VAL 12 5.800 0.696 -5.723 529 HG21 VAL 12 3HG2 VAL 12 6.865 3.918 -7.420 530 HG22 VAL 12 1HG2 VAL 12 6.511 2.382 -8.234 531 HG23 VAL 12 2HG2 VAL 12 5.465 2.971 -6.919 532 H THR 13 H THR 13 6.157 1.278 -3.346 533 HA THR 13 HA THR 13 8.649 0.073 -2.238 534 HB THR 13 HB THR 13 6.318 1.105 -0.559 535 HG1 THR 13 1HG THR 13 8.294 2.075 0.471 536 HG21 THR 13 3HG2 THR 13 7.132 -1.008 0.385 537 HG22 THR 13 1HG2 THR 13 8.815 -0.457 0.253 538 HG23 THR 13 2HG2 THR 13 7.690 0.339 1.381 539 H MET 14 H MET 14 8.413 -1.859 -3.243 540 HA MET 14 HA MET 14 5.776 -3.239 -2.964 541 HB2 MET 14 1HB MET 14 6.594 -2.616 -5.239 542 HB3 MET 14 2HB MET 14 7.934 -3.725 -5.038 543 HG2 MET 14 1HG MET 14 6.404 -5.639 -4.916 544 HG3 MET 14 2HG MET 14 5.051 -4.607 -4.601 545 HE1 MET 14 3HE MET 14 6.952 -6.562 -7.214 546 HE2 MET 14 1HE MET 14 7.007 -5.504 -8.633 547 HE3 MET 14 2HE MET 14 7.910 -5.061 -7.170 548 H LEU 15 H LEU 15 5.763 -5.502 -2.458 549 HA LEU 15 HA LEU 15 8.203 -6.568 -1.178 550 HB2 LEU 15 1HB LEU 15 6.444 -5.120 0.244 551 HB3 LEU 15 2HB LEU 15 5.577 -6.654 0.294 552 HG LEU 15 HG LEU 15 8.479 -6.215 1.162 553 HD11 LEU 15 1HD1 LEU 15 6.793 -5.030 2.542 554 HD12 LEU 15 2HD1 LEU 15 5.914 -6.562 2.771 555 HD13 LEU 15 3HD1 LEU 15 7.549 -6.360 3.442 556 HD21 LEU 15 3HD2 LEU 15 8.197 -8.392 2.336 557 HD22 LEU 15 1HD2 LEU 15 6.623 -8.617 1.544 558 HD23 LEU 15 2HD2 LEU 15 8.119 -8.585 0.589 559 H LEU 16 H LEU 16 8.528 -8.538 -1.848 560 HA LEU 16 HA LEU 16 6.216 -10.210 -2.732 561 HB2 LEU 16 1HB LEU 16 9.036 -10.377 -3.842 562 HB3 LEU 16 2HB LEU 16 7.602 -11.222 -4.387 563 HG LEU 16 HG LEU 16 8.080 -9.716 -6.026 564 HD11 LEU 16 1HD1 LEU 16 5.667 -9.696 -4.944 565 HD12 LEU 16 2HD1 LEU 16 6.005 -7.950 -4.869 566 HD13 LEU 16 3HD1 LEU 16 6.074 -8.834 -6.414 567 HD21 LEU 16 3HD2 LEU 16 8.708 -7.533 -5.917 568 HD22 LEU 16 1HD2 LEU 16 8.099 -7.268 -4.278 569 HD23 LEU 16 2HD2 LEU 16 9.551 -8.265 -4.544 570 H GLN 17 H GLN 17 6.731 -12.521 -2.738 571 HA GLN 17 HA GLN 17 8.666 -13.365 -0.627 572 HB2 GLN 17 1HB GLN 17 6.238 -13.558 -0.024 573 HB3 GLN 17 2HB GLN 17 6.042 -14.710 -1.348 574 HG2 GLN 17 1HG GLN 17 7.721 -16.203 -0.287 575 HG3 GLN 17 2HG GLN 17 7.973 -15.017 1.002 576 HE21 GLN 17 1HE2 GLN 17 5.811 -17.469 -0.291 577 HE22 GLN 17 2HE2 GLN 17 4.709 -17.436 1.090 578 H ASP 18 H ASP 18 10.208 -14.703 -1.204 579 HA ASP 18 HA ASP 18 10.472 -15.523 -3.997 580 HB2 ASP 18 1HB ASP 18 12.293 -14.552 -2.571 581 HB3 ASP 18 2HB ASP 18 12.193 -15.960 -1.525 582 H ASP 19 H ASP 19 11.282 -17.793 -4.403 583 HA ASP 19 HA ASP 19 9.126 -19.640 -3.812 584 HB2 ASP 19 1HB ASP 19 11.823 -20.039 -5.160 585 HB3 ASP 19 2HB ASP 19 10.567 -21.275 -5.089 586 H ASP 20 H ASP 20 12.070 -19.053 -2.080 587 HA ASP 20 HA ASP 20 11.929 -21.619 -0.601 588 HB2 ASP 20 1HB ASP 20 13.877 -20.887 0.587 589 HB3 ASP 20 2HB ASP 20 14.131 -20.659 -1.136 590 H GLY 21 H GLY 21 10.147 -18.827 -0.580 591 HA2 GLY 21 1HA GLY 21 8.337 -18.422 0.825 592 HA3 GLY 21 2HA GLY 21 9.085 -19.356 2.118 593 H LYS 22 H LYS 22 11.480 -17.229 0.936 594 HA LYS 22 HA LYS 22 11.114 -15.550 3.346 595 HB2 LYS 22 1HB LYS 22 13.333 -15.676 1.267 596 HB3 LYS 22 2HB LYS 22 13.351 -14.609 2.659 597 HG2 LYS 22 1HG LYS 22 13.187 -17.659 2.870 598 HG3 LYS 22 2HG LYS 22 14.672 -16.714 2.985 599 HD2 LYS 22 1HD LYS 22 13.615 -15.420 4.912 600 HD3 LYS 22 2HD LYS 22 12.289 -16.589 4.903 601 HE2 LYS 22 1HE LYS 22 15.241 -17.260 5.293 602 HE3 LYS 22 2HE LYS 22 14.059 -17.077 6.585 603 HZ1 LYS 22 3HZ LYS 22 13.692 -19.249 6.300 604 HZ2 LYS 22 1HZ LYS 22 12.893 -18.870 4.919 605 HZ3 LYS 22 2HZ LYS 22 14.459 -19.321 4.853 606 H GLN 23 H GLN 23 10.413 -13.560 3.441 607 HA GLN 23 HA GLN 23 9.390 -12.286 1.009 608 HB2 GLN 23 1HB GLN 23 9.119 -11.631 3.966 609 HB3 GLN 23 2HB GLN 23 8.456 -10.634 2.659 610 HG2 GLN 23 1HG GLN 23 7.210 -12.578 1.772 611 HG3 GLN 23 2HG GLN 23 7.819 -13.585 3.095 612 HE21 GLN 23 1HE2 GLN 23 5.406 -13.956 3.280 613 HE22 GLN 23 2HE2 GLN 23 4.599 -12.780 4.362 614 H TYR 24 H TYR 24 10.076 -10.412 0.111 615 HA TYR 24 HA TYR 24 12.346 -8.986 1.356 616 HB2 TYR 24 1HB TYR 24 13.787 -9.187 -0.495 617 HB3 TYR 24 2HB TYR 24 13.267 -10.807 -0.106 618 HD1 TYR 24 1HD TYR 24 11.716 -12.055 -1.662 619 HD2 TYR 24 2HD TYR 24 13.198 -8.103 -2.604 620 HE1 TYR 24 1HE TYR 24 11.146 -12.402 -4.062 621 HE2 TYR 24 2HE TYR 24 12.617 -8.460 -4.983 622 HH TYR 24 HH TYR 24 11.308 -11.569 -6.274 623 H TYR 25 H TYR 25 12.635 -6.911 0.731 624 HA TYR 25 HA TYR 25 10.269 -5.537 -0.371 625 HB2 TYR 25 1HB TYR 25 12.793 -4.670 1.084 626 HB3 TYR 25 2HB TYR 25 11.776 -3.512 0.259 627 HD1 TYR 25 1HD TYR 25 11.891 -5.874 3.121 628 HD2 TYR 25 2HD TYR 25 9.601 -2.870 1.038 629 HE1 TYR 25 1HE TYR 25 10.467 -5.586 5.122 630 HE2 TYR 25 2HE TYR 25 8.181 -2.556 3.064 631 HH TYR 25 HH TYR 25 8.782 -4.371 6.086 632 H GLU 26 H GLU 26 10.282 -4.182 -1.992 633 HA GLU 26 HA GLU 26 12.649 -3.698 -3.730 634 HB2 GLU 26 1HB GLU 26 9.850 -4.634 -4.436 635 HB3 GLU 26 2HB GLU 26 10.810 -3.716 -5.591 636 HG2 GLU 26 1HG GLU 26 11.751 -6.314 -4.309 637 HG3 GLU 26 2HG GLU 26 10.927 -6.215 -5.865 638 H TYR 27 H TYR 27 12.754 -1.848 -2.286 639 HA TYR 27 HA TYR 27 10.852 0.365 -2.567 640 HB2 TYR 27 1HB TYR 27 13.773 0.273 -1.709 641 HB3 TYR 27 2HB TYR 27 12.775 1.718 -1.711 642 HD1 TYR 27 1HD TYR 27 10.866 1.977 -0.150 643 HD2 TYR 27 2HD TYR 27 13.543 -1.403 0.058 644 HE1 TYR 27 1HE TYR 27 10.145 1.528 2.210 645 HE2 TYR 27 2HE TYR 27 12.797 -1.865 2.372 646 HH TYR 27 HH TYR 27 11.462 -1.183 4.107 647 H HIS 28 H HIS 28 10.714 1.713 -4.273 648 HA HIS 28 HA HIS 28 13.009 2.092 -6.109 649 HB2 HIS 28 1HB HIS 28 10.305 1.002 -6.946 650 HB3 HIS 28 2HB HIS 28 11.413 1.819 -8.053 651 HD1 HIS 28 1HD HIS 28 13.871 0.621 -8.388 652 HD2 HIS 28 2HD HIS 28 10.860 -1.538 -6.377 653 HE1 HIS 28 1HE HIS 28 14.630 -1.871 -8.358 654 HE2 HIS 28 2HE HIS 28 12.779 -3.177 -7.186 655 H LYS 29 H LYS 29 13.226 4.066 -5.278 656 HA LYS 29 HA LYS 29 11.045 6.079 -5.440 657 HB2 LYS 29 1HB LYS 29 13.877 6.050 -4.376 658 HB3 LYS 29 2HB LYS 29 12.923 7.510 -4.420 659 HG2 LYS 29 1HG LYS 29 11.214 6.579 -2.950 660 HG3 LYS 29 2HG LYS 29 11.986 4.996 -2.958 661 HD2 LYS 29 1HD LYS 29 13.441 7.476 -1.961 662 HD3 LYS 29 2HD LYS 29 12.492 6.409 -0.901 663 HE2 LYS 29 1HE LYS 29 13.759 4.436 -1.844 664 HE3 LYS 29 2HE LYS 29 14.805 5.539 -2.716 665 HZ1 LYS 29 3HZ LYS 29 14.565 5.853 0.193 666 HZ2 LYS 29 1HZ LYS 29 15.607 4.715 -0.335 667 HZ3 LYS 29 2HZ LYS 29 15.816 6.271 -0.771 668 H GLY 30 H GLY 30 10.874 7.483 -7.086 669 HA2 GLY 30 1HA GLY 30 11.608 9.139 -8.463 670 HA3 GLY 30 2HA GLY 30 13.282 8.562 -8.373 671 H LEU 31 H LEU 31 10.140 7.196 -9.373 672 HA LEU 31 HA LEU 31 11.106 6.880 -12.148 673 HB2 LEU 31 1HB LEU 31 10.375 4.539 -12.259 674 HB3 LEU 31 2HB LEU 31 11.753 4.807 -11.243 675 HG LEU 31 HG LEU 31 10.502 4.455 -9.219 676 HD11 LEU 31 1HD1 LEU 31 8.275 5.372 -9.723 677 HD12 LEU 31 2HD1 LEU 31 8.007 4.090 -10.937 678 HD13 LEU 31 3HD1 LEU 31 8.163 3.691 -9.228 679 HD21 LEU 31 3HD2 LEU 31 11.345 2.472 -10.458 680 HD22 LEU 31 1HD2 LEU 31 9.837 2.088 -9.590 681 HD23 LEU 31 2HD2 LEU 31 9.805 2.357 -11.328 682 H SER 32 H SER 32 8.799 5.509 -13.201 683 HA SER 32 HA SER 32 6.607 7.394 -12.457 684 HB2 SER 32 1HB SER 32 6.258 7.943 -14.699 685 HB3 SER 32 2HB SER 32 7.998 8.083 -14.477 686 HG SER 32 HG SER 32 8.242 5.882 -15.385 687 H LEU 33 H LEU 33 4.512 6.716 -13.673 688 HA LEU 33 HA LEU 33 3.761 4.172 -12.647 689 HB2 LEU 33 1HB LEU 33 2.505 6.164 -14.546 690 HB3 LEU 33 2HB LEU 33 1.715 4.617 -14.242 691 HG LEU 33 HG LEU 33 2.624 6.346 -11.908 692 HD11 LEU 33 1HD1 LEU 33 1.195 7.775 -13.327 693 HD12 LEU 33 2HD1 LEU 33 -0.053 6.514 -13.352 694 HD13 LEU 33 3HD1 LEU 33 0.390 7.331 -11.821 695 HD21 LEU 33 3HD2 LEU 33 0.861 5.102 -10.727 696 HD22 LEU 33 1HD2 LEU 33 0.366 4.323 -12.245 697 HD23 LEU 33 2HD2 LEU 33 1.929 3.940 -11.520 698 H SER 34 H SER 34 4.882 5.084 -15.933 699 HA SER 34 HA SER 34 4.390 2.544 -17.162 700 HB2 SER 34 1HB SER 34 6.516 4.644 -17.752 701 HB3 SER 34 2HB SER 34 5.984 3.345 -18.825 702 HG SER 34 HG SER 34 3.799 4.579 -18.099 703 H ASP 35 H ASP 35 6.884 3.642 -14.905 704 HA ASP 35 HA ASP 35 8.685 1.360 -15.456 705 HB2 ASP 35 1HB ASP 35 8.774 3.523 -13.337 706 HB3 ASP 35 2HB ASP 35 10.067 2.395 -13.717 707 H PHE 36 H PHE 36 6.291 2.461 -13.055 708 HA PHE 36 HA PHE 36 6.548 0.264 -11.213 709 HB2 PHE 36 1HB PHE 36 5.299 2.194 -10.558 710 HB3 PHE 36 2HB PHE 36 4.240 2.079 -11.954 711 HD1 PHE 36 1HD PHE 36 5.309 -0.005 -9.010 712 HD2 PHE 36 2HD PHE 36 2.148 1.020 -11.760 713 HE1 PHE 36 1HE PHE 36 3.764 -1.509 -7.787 714 HE2 PHE 36 2HE PHE 36 0.601 -0.473 -10.532 715 HZ PHE 36 HZ PHE 36 1.395 -1.736 -8.545 716 H GLU 37 H GLU 37 4.562 0.655 -14.211 717 HA GLU 37 HA GLU 37 3.375 -1.914 -14.227 718 HB2 GLU 37 1HB GLU 37 4.175 0.061 -16.386 719 HB3 GLU 37 2HB GLU 37 3.437 -1.493 -16.782 720 HG2 GLU 37 1HG GLU 37 1.479 -1.024 -15.428 721 HG3 GLU 37 2HG GLU 37 2.221 0.427 -14.762 722 H VAL 38 H VAL 38 6.662 -0.958 -15.150 723 HA VAL 38 HA VAL 38 7.369 -3.622 -16.145 724 HB VAL 38 HB VAL 38 9.173 -1.299 -15.335 725 HG11 VAL 38 1HG1 VAL 38 9.831 -3.950 -16.680 726 HG12 VAL 38 2HG1 VAL 38 10.946 -2.571 -16.513 727 HG13 VAL 38 3HG1 VAL 38 10.389 -3.418 -15.072 728 HG21 VAL 38 3HG2 VAL 38 7.987 -0.700 -17.277 729 HG22 VAL 38 1HG2 VAL 38 9.529 -1.302 -17.882 730 HG23 VAL 38 2HG2 VAL 38 8.079 -2.327 -17.978 731 H LEU 39 H LEU 39 7.977 -1.842 -13.065 732 HA LEU 39 HA LEU 39 9.366 -3.860 -11.696 733 HB2 LEU 39 1HB LEU 39 9.164 -1.584 -10.895 734 HB3 LEU 39 2HB LEU 39 7.424 -1.747 -10.717 735 HG LEU 39 HG LEU 39 7.679 -3.297 -8.853 736 HD11 LEU 39 1HD1 LEU 39 10.680 -2.911 -9.283 737 HD12 LEU 39 2HD1 LEU 39 9.958 -3.663 -7.841 738 HD13 LEU 39 3HD1 LEU 39 9.794 -4.439 -9.411 739 HD21 LEU 39 3HD2 LEU 39 9.400 -0.813 -8.576 740 HD22 LEU 39 1HD2 LEU 39 7.634 -0.881 -8.556 741 HD23 LEU 39 2HD2 LEU 39 8.552 -1.677 -7.256 742 H TYR 40 H TYR 40 5.828 -3.297 -11.564 743 HA TYR 40 HA TYR 40 5.199 -5.664 -10.045 744 HB2 TYR 40 1HB TYR 40 3.768 -3.689 -10.100 745 HB3 TYR 40 2HB TYR 40 3.544 -3.847 -11.837 746 HD1 TYR 40 1HD TYR 40 2.910 -5.569 -8.569 747 HD2 TYR 40 2HD TYR 40 1.834 -5.248 -12.741 748 HE1 TYR 40 1HE TYR 40 1.003 -7.145 -8.212 749 HE2 TYR 40 2HE TYR 40 -0.045 -6.801 -12.389 750 HH TYR 40 HH TYR 40 -1.061 -8.187 -10.943 751 H GLY 41 H GLY 41 5.334 -5.030 -13.604 752 HA2 GLY 41 1HA GLY 41 4.086 -7.544 -14.304 753 HA3 GLY 41 2HA GLY 41 4.868 -6.393 -15.387 754 H ASN 42 H ASN 42 7.465 -6.555 -13.871 755 HA ASN 42 HA ASN 42 8.455 -8.922 -15.317 756 HB2 ASN 42 1HB ASN 42 9.300 -6.553 -15.643 757 HB3 ASN 42 2HB ASN 42 9.967 -6.616 -14.011 758 HD21 ASN 42 1HD2 ASN 42 10.001 -8.365 -17.173 759 HD22 ASN 42 2HD2 ASN 42 11.664 -8.917 -16.960 760 H THR 43 H THR 43 8.179 -7.867 -11.984 761 HA THR 43 HA THR 43 10.424 -9.332 -11.006 762 HB THR 43 HB THR 43 8.016 -8.307 -9.457 763 HG1 THR 43 1HG THR 43 8.840 -6.451 -9.936 764 HG21 THR 43 3HG2 THR 43 9.288 -9.801 -8.036 765 HG22 THR 43 1HG2 THR 43 10.833 -9.164 -8.638 766 HG23 THR 43 2HG2 THR 43 9.804 -8.150 -7.636 767 H ALA 44 H ALA 44 7.066 -10.255 -11.358 768 HA ALA 44 HA ALA 44 5.934 -12.208 -11.301 769 HB1 ALA 44 3HB ALA 44 8.650 -13.332 -12.050 770 HB2 ALA 44 1HB ALA 44 7.072 -14.053 -12.416 771 HB3 ALA 44 2HB ALA 44 7.532 -12.509 -13.158 772 H ASP 45 H ASP 45 8.043 -11.863 -8.731 773 HA ASP 45 HA ASP 45 7.519 -14.429 -7.448 774 HB2 ASP 45 1HB ASP 45 8.674 -11.827 -6.519 775 HB3 ASP 45 2HB ASP 45 8.341 -13.138 -5.405 776 H GLU 46 H GLU 46 6.322 -14.652 -5.461 777 HA GLU 46 HA GLU 46 3.586 -13.948 -5.758 778 HB2 GLU 46 1HB GLU 46 5.171 -15.145 -3.457 779 HB3 GLU 46 2HB GLU 46 3.459 -14.769 -3.315 780 HG2 GLU 46 1HG GLU 46 3.450 -17.013 -3.892 781 HG3 GLU 46 2HG GLU 46 3.055 -16.196 -5.397 782 H ILE 47 H ILE 47 2.686 -12.059 -5.493 783 HA ILE 47 HA ILE 47 3.943 -9.959 -3.974 784 HB ILE 47 HB ILE 47 3.071 -9.762 -6.255 785 HG12 ILE 47 1HG1 ILE 47 3.638 -7.787 -4.910 786 HG13 ILE 47 2HG1 ILE 47 2.440 -7.518 -6.160 787 HG21 ILE 47 1HG2 ILE 47 0.976 -10.991 -6.104 788 HG22 ILE 47 2HG2 ILE 47 0.300 -9.791 -5.007 789 HG23 ILE 47 3HG2 ILE 47 0.692 -9.348 -6.680 790 HD11 ILE 47 3HD1 ILE 47 1.724 -6.270 -4.289 791 HD12 ILE 47 1HD1 ILE 47 0.669 -7.694 -4.345 792 HD13 ILE 47 2HD1 ILE 47 1.971 -7.586 -3.162 793 H ILE 48 H ILE 48 3.602 -9.145 -2.152 794 HA ILE 48 HA ILE 48 1.544 -10.273 -0.362 795 HB ILE 48 HB ILE 48 4.330 -9.238 0.355 796 HG12 ILE 48 1HG1 ILE 48 4.755 -11.171 -0.983 797 HG13 ILE 48 2HG1 ILE 48 5.048 -11.550 0.703 798 HG21 ILE 48 1HG2 ILE 48 3.091 -9.093 2.296 799 HG22 ILE 48 2HG2 ILE 48 2.070 -10.482 1.903 800 HG23 ILE 48 3HG2 ILE 48 3.745 -10.720 2.446 801 HD11 ILE 48 3HD1 ILE 48 2.596 -12.378 -0.909 802 HD12 ILE 48 1HD1 ILE 48 3.926 -13.416 -0.409 803 HD13 ILE 48 2HD1 ILE 48 2.852 -12.724 0.818 804 H LYS 49 H LYS 49 3.634 -7.385 -0.996 805 HA LYS 49 HA LYS 49 1.289 -5.654 -0.475 806 HB2 LYS 49 1HB LYS 49 4.006 -4.983 0.703 807 HB3 LYS 49 2HB LYS 49 2.505 -4.096 0.891 808 HG2 LYS 49 1HG LYS 49 1.585 -6.055 2.227 809 HG3 LYS 49 2HG LYS 49 3.159 -6.837 2.053 810 HD2 LYS 49 1HD LYS 49 3.128 -5.815 4.198 811 HD3 LYS 49 2HD LYS 49 4.219 -4.864 3.178 812 HE2 LYS 49 1HE LYS 49 2.471 -3.174 2.807 813 HE3 LYS 49 2HE LYS 49 1.284 -4.134 3.687 814 HZ1 LYS 49 3HZ LYS 49 3.777 -3.332 4.998 815 HZ2 LYS 49 1HZ LYS 49 2.529 -2.261 4.887 816 HZ3 LYS 49 2HZ LYS 49 2.324 -3.687 5.677 817 H LEU 50 H LEU 50 1.339 -3.693 -1.564 818 HA LEU 50 HA LEU 50 3.889 -2.688 -2.375 819 HB2 LEU 50 1HB LEU 50 3.480 -2.210 -4.691 820 HB3 LEU 50 2HB LEU 50 3.178 -3.913 -4.395 821 HG LEU 50 HG LEU 50 0.687 -3.268 -4.205 822 HD11 LEU 50 1HD1 LEU 50 0.804 -0.806 -4.383 823 HD12 LEU 50 2HD1 LEU 50 1.769 -0.937 -5.867 824 HD13 LEU 50 3HD1 LEU 50 0.069 -1.447 -5.846 825 HD21 LEU 50 3HD2 LEU 50 1.659 -4.716 -5.943 826 HD22 LEU 50 1HD2 LEU 50 0.464 -3.640 -6.661 827 HD23 LEU 50 2HD2 LEU 50 2.203 -3.300 -6.851 828 H ARG 51 H ARG 51 4.007 -0.549 -2.686 829 HA ARG 51 HA ARG 51 1.616 1.165 -2.316 830 HB2 ARG 51 1HB ARG 51 3.000 0.928 -0.170 831 HB3 ARG 51 2HB ARG 51 4.341 1.655 -1.071 832 HG2 ARG 51 1HG ARG 51 2.847 3.648 -1.553 833 HG3 ARG 51 2HG ARG 51 1.625 2.909 -0.528 834 HD2 ARG 51 1HD ARG 51 2.849 4.657 0.672 835 HD3 ARG 51 2HD ARG 51 3.100 3.075 1.411 836 HE ARG 51 HE ARG 51 5.338 3.310 1.075 837 HH11 ARG 51 2HH2 ARG 51 3.949 5.580 -1.314 838 HH12 ARG 51 1HH2 ARG 51 5.592 6.168 -1.652 839 HH21 ARG 51 1HH1 ARG 51 7.317 4.074 0.295 840 HH22 ARG 51 2HH1 ARG 51 7.329 5.235 -0.996 841 H LEU 52 H LEU 52 1.576 2.817 -3.710 842 HA LEU 52 HA LEU 52 4.052 3.895 -4.892 843 HB2 LEU 52 1HB LEU 52 3.250 2.430 -6.608 844 HB3 LEU 52 2HB LEU 52 1.607 2.981 -6.446 845 HG LEU 52 HG LEU 52 3.738 4.998 -7.244 846 HD11 LEU 52 1HD1 LEU 52 3.389 4.404 -9.613 847 HD12 LEU 52 2HD1 LEU 52 4.135 3.085 -8.720 848 HD13 LEU 52 3HD1 LEU 52 2.410 2.995 -9.113 849 HD21 LEU 52 3HD2 LEU 52 1.507 5.938 -6.953 850 HD22 LEU 52 1HD2 LEU 52 1.799 5.818 -8.684 851 HD23 LEU 52 2HD2 LEU 52 0.787 4.609 -7.887 852 H ASP 53 H ASP 53 4.106 6.029 -4.764 853 HA ASP 53 HA ASP 53 1.589 7.612 -4.414 854 HB2 ASP 53 1HB ASP 53 4.202 7.757 -2.832 855 HB3 ASP 53 2HB ASP 53 3.040 9.075 -2.902 856 H LYS 54 H LYS 54 1.494 9.355 -5.793 857 HA LYS 54 HA LYS 54 3.929 10.186 -7.246 858 HB2 LYS 54 1HB LYS 54 2.682 11.939 -8.180 859 HB3 LYS 54 2HB LYS 54 1.582 10.592 -8.075 860 HG2 LYS 54 1HG LYS 54 0.224 12.269 -7.419 861 HG3 LYS 54 2HG LYS 54 0.763 11.714 -5.830 862 HD2 LYS 54 1HD LYS 54 2.290 13.645 -5.668 863 HD3 LYS 54 2HD LYS 54 1.982 14.058 -7.369 864 HE2 LYS 54 1HE LYS 54 -0.471 14.302 -6.780 865 HE3 LYS 54 2HE LYS 54 -0.038 14.066 -5.080 866 HZ1 LYS 54 3HZ LYS 54 -0.186 16.433 -5.684 867 HZ2 LYS 54 1HZ LYS 54 1.293 16.040 -5.144 868 HZ3 LYS 54 2HZ LYS 54 1.064 16.255 -6.751 869 H VAL 55 H VAL 55 5.109 12.053 -6.836 870 HA VAL 55 HA VAL 55 5.442 12.449 -3.918 871 HB VAL 55 HB VAL 55 7.713 13.141 -4.464 872 HG11 VAL 55 1HG1 VAL 55 6.972 10.461 -5.654 873 HG12 VAL 55 2HG1 VAL 55 8.535 10.940 -4.974 874 HG13 VAL 55 3HG1 VAL 55 7.125 10.803 -3.921 875 HG21 VAL 55 3HG2 VAL 55 7.457 14.046 -6.750 876 HG22 VAL 55 1HG2 VAL 55 8.671 12.779 -6.637 877 HG23 VAL 55 2HG2 VAL 55 7.089 12.405 -7.340 878 H LEU 56 H LEU 56 5.069 14.195 -2.935 879 HA LEU 56 HA LEU 56 4.121 16.122 -2.391 880 HB2 LEU 56 1HB LEU 56 6.506 16.679 -2.729 881 HB3 LEU 56 2HB LEU 56 6.147 17.185 -4.382 882 HG LEU 56 HG LEU 56 4.647 18.974 -3.471 883 HD11 LEU 56 1HD1 LEU 56 5.745 17.998 -0.784 884 HD12 LEU 56 2HD1 LEU 56 4.889 19.534 -1.025 885 HD13 LEU 56 3HD1 LEU 56 4.040 18.010 -1.279 886 HD21 LEU 56 3HD2 LEU 56 7.508 18.955 -2.407 887 HD22 LEU 56 1HD2 LEU 56 7.014 19.420 -4.048 888 HD23 LEU 56 2HD2 LEU 56 6.505 20.397 -2.664 Start of MODEL 16 1 H1 MET 1 1H MET 1 -6.143 -10.371 9.840 2 H2 MET 1 2H MET 1 -5.618 -11.931 9.724 3 H3 MET 1 3H MET 1 -4.871 -10.849 10.717 4 HA MET 1 HA MET 1 -6.562 -12.572 11.702 5 HB2 MET 1 1HB MET 1 -6.314 -9.663 12.551 6 HB3 MET 1 2HB MET 1 -7.218 -10.873 13.467 7 HG2 MET 1 1HG MET 1 -5.102 -10.762 14.466 8 HG3 MET 1 2HG MET 1 -5.145 -12.282 13.574 9 HE1 MET 1 3HE MET 1 -2.439 -12.425 13.889 10 HE2 MET 1 1HE MET 1 -1.410 -10.996 13.619 11 HE3 MET 1 2HE MET 1 -2.689 -10.951 14.853 12 H VAL 2 H VAL 2 -8.728 -12.819 12.254 13 HA VAL 2 HA VAL 2 -10.273 -12.741 10.037 14 HB VAL 2 HB VAL 2 -12.166 -13.527 11.403 15 HG11 VAL 2 1HG1 VAL 2 -9.458 -14.784 12.018 16 HG12 VAL 2 2HG1 VAL 2 -11.037 -15.571 12.193 17 HG13 VAL 2 3HG1 VAL 2 -10.479 -15.077 10.590 18 HG21 VAL 2 3HG2 VAL 2 -11.858 -13.978 13.799 19 HG22 VAL 2 1HG2 VAL 2 -10.340 -13.063 13.809 20 HG23 VAL 2 2HG2 VAL 2 -11.891 -12.251 13.477 21 H GLN 3 H GLN 3 -10.638 -10.225 12.611 22 HA GLN 3 HA GLN 3 -12.515 -8.867 10.796 23 HB2 GLN 3 1HB GLN 3 -13.582 -8.095 12.846 24 HB3 GLN 3 2HB GLN 3 -13.699 -9.835 12.631 25 HG2 GLN 3 1HG GLN 3 -11.932 -10.143 14.364 26 HG3 GLN 3 2HG GLN 3 -11.770 -8.384 14.510 27 HE21 GLN 3 1HE2 GLN 3 -12.571 -8.013 16.604 28 HE22 GLN 3 2HE2 GLN 3 -14.212 -8.517 17.037 29 H ASN 4 H ASN 4 -9.885 -8.569 10.551 30 HA ASN 4 HA ASN 4 -9.459 -5.698 11.343 31 HB2 ASN 4 1HB ASN 4 -8.367 -7.216 12.971 32 HB3 ASN 4 2HB ASN 4 -7.483 -7.989 11.648 33 HD21 ASN 4 1HD2 ASN 4 -5.546 -7.051 10.913 34 HD22 ASN 4 2HD2 ASN 4 -5.012 -5.496 11.608 35 H ASP 5 H ASP 5 -8.610 -8.333 8.991 36 HA ASP 5 HA ASP 5 -6.927 -6.395 7.530 37 HB2 ASP 5 1HB ASP 5 -6.959 -9.394 7.943 38 HB3 ASP 5 2HB ASP 5 -5.979 -8.636 6.686 39 H PHE 6 H PHE 6 -9.951 -6.898 7.281 40 HA PHE 6 HA PHE 6 -11.614 -7.174 5.710 41 HB2 PHE 6 1HB PHE 6 -9.583 -6.394 3.606 42 HB3 PHE 6 2HB PHE 6 -11.322 -6.197 3.556 43 HD1 PHE 6 1HD PHE 6 -12.432 -4.456 5.037 44 HD2 PHE 6 2HD PHE 6 -8.147 -4.795 4.671 45 HE1 PHE 6 1HE PHE 6 -12.175 -2.102 5.796 46 HE2 PHE 6 2HE PHE 6 -7.892 -2.465 5.459 47 HZ PHE 6 HZ PHE 6 -9.904 -1.091 5.974 48 H VAL 7 H VAL 7 -10.202 -9.435 6.475 49 HA VAL 7 HA VAL 7 -8.822 -10.622 4.453 50 HB VAL 7 HB VAL 7 -8.220 -10.890 6.675 51 HG11 VAL 7 1HG1 VAL 7 -9.669 -11.315 8.289 52 HG12 VAL 7 2HG1 VAL 7 -10.913 -11.899 7.184 53 HG13 VAL 7 3HG1 VAL 7 -9.671 -13.016 7.774 54 HG21 VAL 7 3HG2 VAL 7 -8.782 -13.630 5.506 55 HG22 VAL 7 1HG2 VAL 7 -7.481 -12.537 4.983 56 HG23 VAL 7 2HG2 VAL 7 -7.495 -13.169 6.635 57 H ASP 8 H ASP 8 -9.962 -10.987 2.597 58 HA ASP 8 HA ASP 8 -10.522 -13.850 2.650 59 HB2 ASP 8 1HB ASP 8 -12.373 -13.981 1.227 60 HB3 ASP 8 2HB ASP 8 -12.799 -12.808 2.466 61 H SER 9 H SER 9 -10.407 -11.204 0.353 62 HA SER 9 HA SER 9 -7.834 -12.134 -0.757 63 HB2 SER 9 1HB SER 9 -8.743 -11.967 -3.068 64 HB3 SER 9 2HB SER 9 -9.414 -13.283 -2.125 65 HG SER 9 HG SER 9 -11.339 -11.988 -1.714 66 H TYR 10 H TYR 10 -7.261 -10.424 -2.611 67 HA TYR 10 HA TYR 10 -5.856 -8.749 -1.007 68 HB2 TYR 10 1HB TYR 10 -6.504 -8.581 -3.963 69 HB3 TYR 10 2HB TYR 10 -5.464 -7.410 -3.196 70 HD1 TYR 10 2HD TYR 10 -5.797 -11.145 -3.703 71 HD2 TYR 10 1HD TYR 10 -3.215 -7.790 -2.883 72 HE1 TYR 10 2HE TYR 10 -3.803 -12.635 -3.836 73 HE2 TYR 10 1HE TYR 10 -1.223 -9.261 -3.108 74 HH TYR 10 HH TYR 10 -0.432 -11.425 -3.374 75 H ASP 11 H ASP 11 -5.796 -6.695 -0.353 76 HA ASP 11 HA ASP 11 -8.261 -5.016 -0.535 77 HB2 ASP 11 1HB ASP 11 -7.802 -5.649 1.718 78 HB3 ASP 11 2HB ASP 11 -6.080 -5.278 1.550 79 H VAL 12 H VAL 12 -8.110 -3.443 -1.993 80 HA VAL 12 HA VAL 12 -5.475 -2.172 -2.545 81 HB VAL 12 HB VAL 12 -7.664 -2.693 -4.584 82 HG11 VAL 12 1HG1 VAL 12 -6.210 -0.771 -5.099 83 HG12 VAL 12 2HG1 VAL 12 -4.765 -1.763 -4.793 84 HG13 VAL 12 3HG1 VAL 12 -5.843 -2.134 -6.152 85 HG21 VAL 12 3HG2 VAL 12 -6.023 -4.390 -5.479 86 HG22 VAL 12 1HG2 VAL 12 -5.139 -4.243 -3.941 87 HG23 VAL 12 2HG2 VAL 12 -6.801 -4.853 -3.958 88 H THR 13 H THR 13 -5.769 -0.493 -1.186 89 HA THR 13 HA THR 13 -8.091 1.327 -1.439 90 HB THR 13 HB THR 13 -5.498 1.582 0.161 91 HG1 THR 13 1HG THR 13 -7.017 0.908 1.840 92 HG21 THR 13 3HG2 THR 13 -6.726 3.749 -0.089 93 HG22 THR 13 1HG2 THR 13 -8.233 2.949 0.416 94 HG23 THR 13 2HG2 THR 13 -6.887 3.112 1.558 95 H MET 14 H MET 14 -8.127 3.095 -2.828 96 HA MET 14 HA MET 14 -5.527 3.931 -4.049 97 HB2 MET 14 1HB MET 14 -6.533 2.186 -5.479 98 HB3 MET 14 2HB MET 14 -8.022 3.137 -5.601 99 HG2 MET 14 1HG MET 14 -6.819 4.953 -6.709 100 HG3 MET 14 2HG MET 14 -5.277 4.123 -6.498 101 HE1 MET 14 3HE MET 14 -4.329 2.371 -8.032 102 HE2 MET 14 1HE MET 14 -5.523 1.218 -7.387 103 HE3 MET 14 2HE MET 14 -5.276 1.361 -9.143 104 H LEU 15 H LEU 15 -5.367 6.007 -4.710 105 HA LEU 15 HA LEU 15 -7.821 7.599 -4.700 106 HB2 LEU 15 1HB LEU 15 -7.254 9.151 -3.142 107 HB3 LEU 15 2HB LEU 15 -6.589 7.698 -2.438 108 HG LEU 15 HG LEU 15 -4.362 8.528 -3.737 109 HD11 LEU 15 1HD1 LEU 15 -5.899 11.089 -3.101 110 HD12 LEU 15 2HD1 LEU 15 -4.197 11.006 -3.575 111 HD13 LEU 15 3HD1 LEU 15 -5.459 10.564 -4.732 112 HD21 LEU 15 3HD2 LEU 15 -5.376 9.788 -1.153 113 HD22 LEU 15 1HD2 LEU 15 -4.613 8.185 -1.264 114 HD23 LEU 15 2HD2 LEU 15 -3.685 9.653 -1.646 115 H LEU 16 H LEU 16 -7.904 9.265 -5.966 116 HA LEU 16 HA LEU 16 -5.877 9.510 -8.153 117 HB2 LEU 16 1HB LEU 16 -8.871 8.921 -8.290 118 HB3 LEU 16 2HB LEU 16 -7.884 9.291 -9.702 119 HG LEU 16 HG LEU 16 -7.144 6.931 -7.928 120 HD11 LEU 16 1HD1 LEU 16 -8.421 5.465 -9.398 121 HD12 LEU 16 2HD1 LEU 16 -9.487 6.541 -8.468 122 HD13 LEU 16 3HD1 LEU 16 -9.156 6.887 -10.183 123 HD21 LEU 16 3HD2 LEU 16 -6.846 7.496 -10.899 124 HD22 LEU 16 1HD2 LEU 16 -5.659 7.806 -9.648 125 HD23 LEU 16 2HD2 LEU 16 -6.143 6.133 -9.953 126 H GLN 17 H GLN 17 -6.584 11.327 -9.656 127 HA GLN 17 HA GLN 17 -7.775 13.539 -8.025 128 HB2 GLN 17 1HB GLN 17 -5.298 13.569 -8.336 129 HB3 GLN 17 2HB GLN 17 -5.568 13.812 -10.068 130 HG2 GLN 17 1HG GLN 17 -6.795 15.905 -9.578 131 HG3 GLN 17 2HG GLN 17 -6.649 15.612 -7.840 132 HE21 GLN 17 1HE2 GLN 17 -4.927 16.565 -10.773 133 HE22 GLN 17 2HE2 GLN 17 -3.479 17.095 -9.910 134 H ASP 18 H ASP 18 -9.387 14.629 -8.762 135 HA ASP 18 HA ASP 18 -10.667 14.024 -11.310 136 HB2 ASP 18 1HB ASP 18 -11.843 14.482 -9.116 137 HB3 ASP 18 2HB ASP 18 -11.251 16.139 -9.204 138 H ASP 19 H ASP 19 -11.287 15.752 -12.852 139 HA ASP 19 HA ASP 19 -9.056 17.323 -13.733 140 HB2 ASP 19 1HB ASP 19 -10.598 18.155 -15.438 141 HB3 ASP 19 2HB ASP 19 -10.665 16.403 -15.286 142 H ASP 20 H ASP 20 -11.688 18.105 -11.487 143 HA ASP 20 HA ASP 20 -11.078 20.975 -11.558 144 HB2 ASP 20 1HB ASP 20 -13.321 19.882 -11.072 145 HB3 ASP 20 2HB ASP 20 -12.645 19.356 -9.525 146 H GLY 21 H GLY 21 -9.281 18.428 -10.497 147 HA2 GLY 21 1HA GLY 21 -7.211 18.567 -9.463 148 HA3 GLY 21 2HA GLY 21 -7.647 20.111 -8.728 149 H LYS 22 H LYS 22 -10.131 17.947 -8.135 150 HA LYS 22 HA LYS 22 -9.392 17.758 -5.288 151 HB2 LYS 22 1HB LYS 22 -11.880 17.085 -6.899 152 HB3 LYS 22 2HB LYS 22 -11.653 16.393 -5.293 153 HG2 LYS 22 1HG LYS 22 -12.947 18.374 -5.050 154 HG3 LYS 22 2HG LYS 22 -11.365 18.637 -4.307 155 HD2 LYS 22 1HD LYS 22 -10.638 20.000 -6.218 156 HD3 LYS 22 2HD LYS 22 -12.131 19.595 -7.102 157 HE2 LYS 22 1HE LYS 22 -13.467 20.643 -5.312 158 HE3 LYS 22 2HE LYS 22 -11.986 21.060 -4.424 159 HZ1 LYS 22 3HZ LYS 22 -12.647 21.955 -7.170 160 HZ2 LYS 22 1HZ LYS 22 -12.889 22.886 -5.854 161 HZ3 LYS 22 2HZ LYS 22 -11.344 22.458 -6.310 162 H GLN 23 H GLN 23 -8.616 16.085 -4.260 163 HA GLN 23 HA GLN 23 -8.001 13.647 -5.793 164 HB2 GLN 23 1HB GLN 23 -6.986 14.779 -3.178 165 HB3 GLN 23 2HB GLN 23 -6.603 13.141 -3.751 166 HG2 GLN 23 1HG GLN 23 -5.695 14.056 -5.859 167 HG3 GLN 23 2HG GLN 23 -6.060 15.703 -5.322 168 HE21 GLN 23 1HE2 GLN 23 -3.580 15.615 -5.983 169 HE22 GLN 23 2HE2 GLN 23 -2.562 15.341 -4.536 170 H TYR 24 H TYR 24 -9.274 11.958 -5.668 171 HA TYR 24 HA TYR 24 -11.141 11.737 -3.342 172 HB2 TYR 24 1HB TYR 24 -12.796 10.809 -4.794 173 HB3 TYR 24 2HB TYR 24 -12.320 12.400 -5.360 174 HD1 TYR 24 2HD TYR 24 -10.895 12.637 -7.428 175 HD2 TYR 24 1HD TYR 24 -12.465 8.830 -6.130 176 HE1 TYR 24 2HE TYR 24 -10.554 11.721 -9.708 177 HE2 TYR 24 1HE TYR 24 -12.114 7.912 -8.424 178 HH TYR 24 HH TYR 24 -10.800 9.892 -11.080 179 H TYR 25 H TYR 25 -11.506 9.823 -2.472 180 HA TYR 25 HA TYR 25 -9.329 7.825 -2.794 181 HB2 TYR 25 1HB TYR 25 -9.157 9.620 -1.040 182 HB3 TYR 25 2HB TYR 25 -10.681 9.083 -0.361 183 HD1 TYR 25 1HD TYR 25 -10.818 6.647 0.565 184 HD2 TYR 25 2HD TYR 25 -7.153 8.752 -0.273 185 HE1 TYR 25 1HE TYR 25 -9.613 5.232 2.200 186 HE2 TYR 25 2HE TYR 25 -5.946 7.338 1.371 187 HH TYR 25 HH TYR 25 -6.248 5.829 3.126 188 H GLU 26 H GLU 26 -9.907 5.674 -2.739 189 HA GLU 26 HA GLU 26 -12.540 4.925 -1.646 190 HB2 GLU 26 1HB GLU 26 -12.897 5.646 -4.029 191 HB3 GLU 26 2HB GLU 26 -11.748 4.413 -4.550 192 HG2 GLU 26 1HG GLU 26 -14.055 3.684 -4.889 193 HG3 GLU 26 2HG GLU 26 -13.249 2.642 -3.732 194 H TYR 27 H TYR 27 -12.829 2.781 -1.262 195 HA TYR 27 HA TYR 27 -10.336 1.150 -0.953 196 HB2 TYR 27 1HB TYR 27 -13.117 0.841 0.234 197 HB3 TYR 27 2HB TYR 27 -11.725 -0.176 0.599 198 HD1 TYR 27 1HD TYR 27 -9.758 0.768 1.837 199 HD2 TYR 27 2HD TYR 27 -13.388 3.021 1.226 200 HE1 TYR 27 1HE TYR 27 -9.117 2.300 3.690 201 HE2 TYR 27 2HE TYR 27 -12.747 4.555 3.088 202 HH TYR 27 HH TYR 27 -9.726 4.108 4.940 203 H HIS 28 H HIS 28 -10.077 -0.753 -2.041 204 HA HIS 28 HA HIS 28 -12.433 -2.024 -3.357 205 HB2 HIS 28 1HB HIS 28 -9.759 -1.652 -4.755 206 HB3 HIS 28 2HB HIS 28 -11.221 -2.374 -5.402 207 HD1 HIS 28 1HD HIS 28 -13.292 -0.584 -5.845 208 HD2 HIS 28 2HD HIS 28 -9.459 0.930 -4.977 209 HE1 HIS 28 1HE HIS 28 -13.271 1.852 -6.713 210 HE2 HIS 28 2HE HIS 28 -10.925 2.781 -6.153 211 H LYS 29 H LYS 29 -12.411 -3.477 -1.620 212 HA LYS 29 HA LYS 29 -10.052 -5.291 -1.482 213 HB2 LYS 29 1HB LYS 29 -10.702 -5.813 0.810 214 HB3 LYS 29 2HB LYS 29 -10.413 -4.106 0.559 215 HG2 LYS 29 1HG LYS 29 -12.229 -4.288 2.033 216 HG3 LYS 29 2HG LYS 29 -12.863 -3.663 0.514 217 HD2 LYS 29 1HD LYS 29 -13.840 -5.824 -0.034 218 HD3 LYS 29 2HD LYS 29 -12.978 -6.610 1.310 219 HE2 LYS 29 1HE LYS 29 -14.250 -5.122 2.890 220 HE3 LYS 29 2HE LYS 29 -15.130 -4.464 1.500 221 HZ1 LYS 29 3HZ LYS 29 -16.464 -6.202 2.343 222 HZ2 LYS 29 1HZ LYS 29 -15.731 -6.863 1.023 223 HZ3 LYS 29 2HZ LYS 29 -15.192 -7.237 2.521 224 H GLY 30 H GLY 30 -10.496 -7.545 -0.803 225 HA2 GLY 30 1HA GLY 30 -11.497 -9.587 -1.131 226 HA3 GLY 30 2HA GLY 30 -13.058 -8.774 -1.289 227 H LEU 31 H LEU 31 -10.059 -8.508 -3.202 228 HA LEU 31 HA LEU 31 -11.345 -9.722 -5.549 229 HB2 LEU 31 1HB LEU 31 -10.773 -7.855 -7.017 230 HB3 LEU 31 2HB LEU 31 -11.927 -7.430 -5.787 231 HG LEU 31 HG LEU 31 -10.083 -6.293 -4.479 232 HD11 LEU 31 1HD1 LEU 31 -8.504 -6.708 -7.066 233 HD12 LEU 31 2HD1 LEU 31 -8.098 -5.547 -5.798 234 HD13 LEU 31 3HD1 LEU 31 -8.038 -7.267 -5.439 235 HD21 LEU 31 3HD2 LEU 31 -11.707 -5.134 -5.996 236 HD22 LEU 31 1HD2 LEU 31 -10.134 -4.318 -5.861 237 HD23 LEU 31 2HD2 LEU 31 -10.516 -5.264 -7.314 238 H SER 32 H SER 32 -9.391 -9.446 -7.426 239 HA SER 32 HA SER 32 -6.894 -10.329 -6.086 240 HB2 SER 32 1HB SER 32 -6.738 -12.386 -7.154 241 HB3 SER 32 2HB SER 32 -8.414 -12.320 -6.598 242 HG SER 32 HG SER 32 -9.041 -11.756 -8.705 243 H LEU 33 H LEU 33 -5.271 -10.962 -8.065 244 HA LEU 33 HA LEU 33 -4.589 -8.291 -8.685 245 HB2 LEU 33 1HB LEU 33 -3.313 -10.906 -9.552 246 HB3 LEU 33 2HB LEU 33 -2.649 -9.323 -9.846 247 HG LEU 33 HG LEU 33 -1.499 -10.096 -8.011 248 HD11 LEU 33 1HD1 LEU 33 -3.622 -8.341 -6.712 249 HD12 LEU 33 2HD1 LEU 33 -1.954 -8.568 -6.186 250 HD13 LEU 33 3HD1 LEU 33 -2.279 -7.743 -7.721 251 HD21 LEU 33 3HD2 LEU 33 -4.020 -10.793 -6.483 252 HD22 LEU 33 1HD2 LEU 33 -3.023 -11.961 -7.406 253 HD23 LEU 33 2HD2 LEU 33 -2.332 -11.082 -6.046 254 H SER 34 H SER 34 -6.184 -10.664 -10.773 255 HA SER 34 HA SER 34 -5.880 -9.143 -13.207 256 HB2 SER 34 1HB SER 34 -7.752 -10.604 -13.938 257 HB3 SER 34 2HB SER 34 -6.407 -11.521 -13.227 258 HG SER 34 HG SER 34 -8.006 -12.315 -12.042 259 H ASP 35 H ASP 35 -8.041 -8.912 -10.403 260 HA ASP 35 HA ASP 35 -9.894 -7.008 -11.703 261 HB2 ASP 35 1HB ASP 35 -9.557 -8.119 -8.897 262 HB3 ASP 35 2HB ASP 35 -10.560 -6.707 -9.206 263 H PHE 36 H PHE 36 -7.037 -6.954 -9.611 264 HA PHE 36 HA PHE 36 -6.982 -4.091 -9.230 265 HB2 PHE 36 1HB PHE 36 -5.649 -5.463 -7.800 266 HB3 PHE 36 2HB PHE 36 -4.884 -6.260 -9.166 267 HD1 PHE 36 1HD PHE 36 -5.387 -2.670 -8.189 268 HD2 PHE 36 2HD PHE 36 -2.659 -5.732 -9.500 269 HE1 PHE 36 1HE PHE 36 -3.554 -1.005 -8.233 270 HE2 PHE 36 2HE PHE 36 -0.819 -4.076 -9.545 271 HZ PHE 36 HZ PHE 36 -1.266 -1.697 -8.907 272 H GLU 37 H GLU 37 -5.550 -6.210 -11.805 273 HA GLU 37 HA GLU 37 -4.431 -4.135 -13.373 274 HB2 GLU 37 1HB GLU 37 -5.540 -6.888 -13.986 275 HB3 GLU 37 2HB GLU 37 -4.933 -5.837 -15.264 276 HG2 GLU 37 1HG GLU 37 -2.750 -5.658 -14.186 277 HG3 GLU 37 2HG GLU 37 -3.305 -6.598 -12.805 278 H VAL 38 H VAL 38 -7.824 -5.093 -13.072 279 HA VAL 38 HA VAL 38 -8.721 -3.422 -15.296 280 HB VAL 38 HB VAL 38 -10.238 -4.557 -12.914 281 HG11 VAL 38 1HG1 VAL 38 -11.410 -2.539 -13.651 282 HG12 VAL 38 2HG1 VAL 38 -11.287 -3.064 -15.346 283 HG13 VAL 38 3HG1 VAL 38 -12.284 -3.975 -14.186 284 HG21 VAL 38 3HG2 VAL 38 -10.180 -5.303 -15.869 285 HG22 VAL 38 1HG2 VAL 38 -9.420 -6.224 -14.569 286 HG23 VAL 38 2HG2 VAL 38 -11.177 -6.075 -14.610 287 H LEU 39 H LEU 39 -8.573 -2.933 -11.725 288 HA LEU 39 HA LEU 39 -9.516 -0.243 -11.746 289 HB2 LEU 39 1HB LEU 39 -9.335 -1.665 -9.749 290 HB3 LEU 39 2HB LEU 39 -7.583 -1.692 -9.894 291 HG LEU 39 HG LEU 39 -7.552 0.792 -9.480 292 HD11 LEU 39 1HD1 LEU 39 -9.889 1.339 -10.092 293 HD12 LEU 39 2HD1 LEU 39 -10.484 0.335 -8.757 294 HD13 LEU 39 3HD1 LEU 39 -9.544 1.814 -8.429 295 HD21 LEU 39 3HD2 LEU 39 -7.116 -0.850 -7.699 296 HD22 LEU 39 1HD2 LEU 39 -7.993 0.540 -7.043 297 HD23 LEU 39 2HD2 LEU 39 -8.855 -0.985 -7.367 298 H TYR 40 H TYR 40 -6.146 -1.436 -11.847 299 HA TYR 40 HA TYR 40 -4.893 1.114 -12.248 300 HB2 TYR 40 1HB TYR 40 -3.678 -0.708 -11.347 301 HB3 TYR 40 2HB TYR 40 -4.146 -1.773 -12.662 302 HD1 TYR 40 1HD TYR 40 -2.526 1.668 -12.739 303 HD2 TYR 40 2HD TYR 40 -2.282 -2.537 -13.697 304 HE1 TYR 40 1HE TYR 40 -0.347 2.048 -13.882 305 HE2 TYR 40 2HE TYR 40 -0.098 -2.152 -14.817 306 HH TYR 40 HH TYR 40 1.339 1.002 -15.341 307 H GLY 41 H GLY 41 -6.251 -1.246 -14.629 308 HA2 GLY 41 1HA GLY 41 -5.113 0.222 -16.883 309 HA3 GLY 41 2HA GLY 41 -6.142 -1.210 -16.929 310 H ASN 42 H ASN 42 -8.210 0.282 -15.229 311 HA ASN 42 HA ASN 42 -9.460 1.713 -17.531 312 HB2 ASN 42 1HB ASN 42 -10.310 -0.522 -16.639 313 HB3 ASN 42 2HB ASN 42 -10.737 0.327 -15.144 314 HD21 ASN 42 1HD2 ASN 42 -12.796 1.023 -15.057 315 HD22 ASN 42 2HD2 ASN 42 -13.748 1.442 -16.491 316 H THR 43 H THR 43 -8.662 2.131 -14.136 317 HA THR 43 HA THR 43 -10.473 4.498 -13.954 318 HB THR 43 HB THR 43 -9.500 2.593 -11.814 319 HG1 THR 43 1HG THR 43 -11.575 1.701 -12.019 320 HG21 THR 43 3HG2 THR 43 -11.757 4.622 -11.797 321 HG22 THR 43 1HG2 THR 43 -11.476 3.391 -10.540 322 HG23 THR 43 2HG2 THR 43 -10.280 4.656 -10.810 323 H ALA 44 H ALA 44 -7.181 3.626 -13.835 324 HA ALA 44 HA ALA 44 -6.160 5.369 -11.873 325 HB1 ALA 44 3HB ALA 44 -5.126 3.298 -12.620 326 HB2 ALA 44 1HB ALA 44 -4.825 4.016 -14.226 327 HB3 ALA 44 2HB ALA 44 -3.996 4.653 -12.789 328 H ASP 45 H ASP 45 -7.796 6.901 -13.609 329 HA ASP 45 HA ASP 45 -6.309 8.611 -15.405 330 HB2 ASP 45 1HB ASP 45 -8.694 7.983 -15.623 331 HB3 ASP 45 2HB ASP 45 -9.058 8.826 -14.116 332 H GLU 46 H GLU 46 -4.728 9.709 -14.513 333 HA GLU 46 HA GLU 46 -3.341 10.779 -13.117 334 HB2 GLU 46 1HB GLU 46 -5.746 12.344 -12.160 335 HB3 GLU 46 2HB GLU 46 -4.081 12.600 -11.657 336 HG2 GLU 46 1HG GLU 46 -4.338 14.185 -13.310 337 HG3 GLU 46 2HG GLU 46 -3.443 12.888 -14.100 338 H ILE 47 H ILE 47 -3.074 8.678 -12.356 339 HA ILE 47 HA ILE 47 -3.771 7.936 -9.668 340 HB ILE 47 HB ILE 47 -3.146 6.307 -11.310 341 HG12 ILE 47 1HG1 ILE 47 -1.456 5.030 -10.010 342 HG13 ILE 47 2HG1 ILE 47 -1.195 6.431 -8.973 343 HG21 ILE 47 1HG2 ILE 47 -1.532 7.460 -12.673 344 HG22 ILE 47 2HG2 ILE 47 -0.411 7.631 -11.302 345 HG23 ILE 47 3HG2 ILE 47 -0.774 6.033 -11.981 346 HD11 ILE 47 3HD1 ILE 47 -3.912 5.083 -9.356 347 HD12 ILE 47 1HD1 ILE 47 -2.755 4.636 -8.090 348 HD13 ILE 47 2HD1 ILE 47 -3.464 6.260 -8.094 349 H ILE 48 H ILE 48 -3.007 8.316 -7.811 350 HA ILE 48 HA ILE 48 -0.760 10.188 -7.446 351 HB ILE 48 HB ILE 48 -3.443 10.211 -6.004 352 HG12 ILE 48 1HG1 ILE 48 -3.669 11.216 -8.216 353 HG13 ILE 48 2HG1 ILE 48 -3.873 12.383 -6.931 354 HG21 ILE 48 1HG2 ILE 48 -0.925 11.869 -5.576 355 HG22 ILE 48 2HG2 ILE 48 -2.511 12.280 -4.892 356 HG23 ILE 48 3HG2 ILE 48 -1.713 10.776 -4.424 357 HD11 ILE 48 3HD1 ILE 48 -2.451 12.957 -9.090 358 HD12 ILE 48 1HD1 ILE 48 -1.967 13.575 -7.495 359 HD13 ILE 48 2HD1 ILE 48 -1.135 12.173 -8.201 360 H LYS 49 H LYS 49 -3.027 7.874 -5.736 361 HA LYS 49 HA LYS 49 -0.570 6.565 -4.703 362 HB2 LYS 49 1HB LYS 49 -1.467 8.383 -3.112 363 HB3 LYS 49 2HB LYS 49 -2.837 7.294 -2.838 364 HG2 LYS 49 1HG LYS 49 -1.262 5.513 -2.072 365 HG3 LYS 49 2HG LYS 49 0.081 6.651 -2.282 366 HD2 LYS 49 1HD LYS 49 -2.310 7.078 -0.425 367 HD3 LYS 49 2HD LYS 49 -0.702 6.507 0.063 368 HE2 LYS 49 1HE LYS 49 0.048 8.681 -1.345 369 HE3 LYS 49 2HE LYS 49 -1.549 9.244 -0.901 370 HZ1 LYS 49 3HZ LYS 49 -0.914 8.818 1.444 371 HZ2 LYS 49 1HZ LYS 49 0.603 8.390 0.937 372 HZ3 LYS 49 2HZ LYS 49 0.086 9.916 0.703 373 H LEU 50 H LEU 50 -0.775 4.436 -4.220 374 HA LEU 50 HA LEU 50 -3.439 3.347 -3.849 375 HB2 LEU 50 1HB LEU 50 -3.632 1.919 -5.580 376 HB3 LEU 50 2HB LEU 50 -2.728 3.173 -6.367 377 HG LEU 50 HG LEU 50 -0.633 1.591 -5.562 378 HD11 LEU 50 1HD1 LEU 50 -3.018 -0.249 -6.044 379 HD12 LEU 50 2HD1 LEU 50 -1.328 -0.775 -6.038 380 HD13 LEU 50 3HD1 LEU 50 -2.060 -0.148 -4.558 381 HD21 LEU 50 3HD2 LEU 50 -0.628 0.688 -7.841 382 HD22 LEU 50 1HD2 LEU 50 -2.330 1.153 -8.050 383 HD23 LEU 50 2HD2 LEU 50 -1.078 2.398 -7.866 384 H ARG 51 H ARG 51 -3.501 1.557 -2.582 385 HA ARG 51 HA ARG 51 -0.965 0.546 -1.414 386 HB2 ARG 51 1HB ARG 51 -2.275 2.466 -0.128 387 HB3 ARG 51 2HB ARG 51 -3.369 1.174 0.332 388 HG2 ARG 51 1HG ARG 51 -0.623 0.303 0.719 389 HG3 ARG 51 2HG ARG 51 -0.829 1.898 1.438 390 HD2 ARG 51 1HD ARG 51 -1.223 0.323 3.147 391 HD3 ARG 51 2HD ARG 51 -2.803 0.981 2.721 392 HE ARG 51 HE ARG 51 -1.739 -1.774 2.041 393 HH11 ARG 51 2HH2 ARG 51 -4.698 0.160 2.492 394 HH12 ARG 51 1HH2 ARG 51 -5.605 -1.363 2.203 395 HH21 ARG 51 1HH1 ARG 51 -2.992 -3.348 1.677 396 HH22 ARG 51 2HH1 ARG 51 -4.783 -3.095 1.777 397 H LEU 52 H LEU 52 -0.960 -1.445 -2.082 398 HA LEU 52 HA LEU 52 -3.393 -3.139 -1.964 399 HB2 LEU 52 1HB LEU 52 -2.632 -2.792 -4.193 400 HB3 LEU 52 2HB LEU 52 -0.981 -3.211 -3.792 401 HG LEU 52 HG LEU 52 -3.188 -5.259 -3.379 402 HD11 LEU 52 1HD1 LEU 52 -3.446 -4.331 -5.689 403 HD12 LEU 52 2HD1 LEU 52 -1.752 -4.738 -6.018 404 HD13 LEU 52 3HD1 LEU 52 -2.934 -6.021 -5.681 405 HD21 LEU 52 3HD2 LEU 52 -0.983 -5.995 -2.598 406 HD22 LEU 52 1HD2 LEU 52 -1.353 -6.843 -4.097 407 HD23 LEU 52 2HD2 LEU 52 -0.234 -5.480 -4.121 408 H ASP 53 H ASP 53 -3.368 -4.797 -0.605 409 HA ASP 53 HA ASP 53 -0.776 -6.072 0.104 410 HB2 ASP 53 1HB ASP 53 -2.960 -5.309 2.080 411 HB3 ASP 53 2HB ASP 53 -1.798 -6.582 2.391 412 H LYS 54 H LYS 54 -0.864 -8.301 0.019 413 HA LYS 54 HA LYS 54 -3.471 -9.652 -0.384 414 HB2 LYS 54 1HB LYS 54 -2.298 -11.672 -0.289 415 HB3 LYS 54 2HB LYS 54 -1.174 -10.566 -1.053 416 HG2 LYS 54 1HG LYS 54 0.301 -11.443 0.374 417 HG3 LYS 54 2HG LYS 54 -0.297 -10.202 1.456 418 HD2 LYS 54 1HD LYS 54 -0.218 -12.230 2.703 419 HD3 LYS 54 2HD LYS 54 -1.940 -12.053 2.320 420 HE2 LYS 54 1HE LYS 54 -1.632 -13.531 0.322 421 HE3 LYS 54 2HE LYS 54 0.094 -13.662 0.693 422 HZ1 LYS 54 3HZ LYS 54 -2.117 -14.561 2.437 423 HZ2 LYS 54 1HZ LYS 54 -1.124 -15.552 1.568 424 HZ3 LYS 54 2HZ LYS 54 -0.516 -14.657 2.812 425 H VAL 55 H VAL 55 -4.625 -10.832 1.144 426 HA VAL 55 HA VAL 55 -4.434 -9.515 3.806 427 HB VAL 55 HB VAL 55 -6.811 -9.635 3.915 428 HG11 VAL 55 1HG1 VAL 55 -5.718 -7.680 2.887 429 HG12 VAL 55 2HG1 VAL 55 -5.928 -8.418 1.285 430 HG13 VAL 55 3HG1 VAL 55 -7.346 -7.969 2.254 431 HG21 VAL 55 3HG2 VAL 55 -8.209 -10.230 2.017 432 HG22 VAL 55 1HG2 VAL 55 -6.790 -10.841 1.138 433 HG23 VAL 55 2HG2 VAL 55 -7.343 -11.644 2.623 434 H LEU 56 H LEU 56 -4.239 -10.566 5.560 435 HA LEU 56 HA LEU 56 -5.023 -13.382 5.863 436 HB2 LEU 56 1HB LEU 56 -2.699 -13.365 4.910 437 HB3 LEU 56 2HB LEU 56 -2.202 -12.268 6.200 438 HG LEU 56 HG LEU 56 -2.708 -14.036 7.877 439 HD11 LEU 56 1HD1 LEU 56 -2.855 -16.048 5.592 440 HD12 LEU 56 2HD1 LEU 56 -3.285 -16.247 7.307 441 HD13 LEU 56 3HD1 LEU 56 -4.327 -15.322 6.233 442 HD21 LEU 56 3HD2 LEU 56 -0.667 -15.143 7.585 443 HD22 LEU 56 1HD2 LEU 56 -0.800 -15.185 5.815 444 HD23 LEU 56 2HD2 LEU 56 -0.435 -13.662 6.646 445 H1 MET 1 1H MET 1 9.506 21.487 3.306 446 H2 MET 1 2H MET 1 9.038 23.071 3.399 447 H3 MET 1 3H MET 1 10.260 22.630 2.382 448 HA MET 1 HA MET 1 7.443 21.887 2.189 449 HB2 MET 1 1HB MET 1 7.915 24.210 1.446 450 HB3 MET 1 2HB MET 1 9.150 23.630 0.311 451 HG2 MET 1 1HG MET 1 6.836 24.043 -0.657 452 HG3 MET 1 2HG MET 1 7.477 22.430 -0.981 453 HE1 MET 1 3HE MET 1 3.476 23.063 0.267 454 HE2 MET 1 1HE MET 1 4.666 24.247 -0.339 455 HE3 MET 1 2HE MET 1 4.359 22.744 -1.264 456 H VAL 2 H VAL 2 10.509 21.808 0.306 457 HA VAL 2 HA VAL 2 9.446 19.942 -1.458 458 HB VAL 2 HB VAL 2 11.717 19.839 -2.362 459 HG11 VAL 2 1HG1 VAL 2 11.005 21.691 -3.366 460 HG12 VAL 2 2HG1 VAL 2 10.060 22.208 -1.986 461 HG13 VAL 2 3HG1 VAL 2 11.759 22.674 -2.097 462 HG21 VAL 2 3HG2 VAL 2 13.344 21.566 -1.026 463 HG22 VAL 2 1HG2 VAL 2 12.456 20.909 0.354 464 HG23 VAL 2 2HG2 VAL 2 13.314 19.826 -0.731 465 H GLN 3 H GLN 3 10.050 17.917 -1.967 466 HA GLN 3 HA GLN 3 10.653 16.160 0.344 467 HB2 GLN 3 1HB GLN 3 8.402 16.121 -0.768 468 HB3 GLN 3 2HB GLN 3 9.200 15.592 -2.265 469 HG2 GLN 3 1HG GLN 3 10.067 13.601 -1.111 470 HG3 GLN 3 2HG GLN 3 9.396 14.172 0.422 471 HE21 GLN 3 1HE2 GLN 3 8.207 12.122 0.514 472 HE22 GLN 3 2HE2 GLN 3 6.731 11.987 -0.460 473 H ASN 4 H ASN 4 12.848 16.446 0.167 474 HA ASN 4 HA ASN 4 14.188 16.122 -2.415 475 HB2 ASN 4 1HB ASN 4 14.638 17.914 -0.704 476 HB3 ASN 4 2HB ASN 4 15.303 16.669 0.367 477 HD21 ASN 4 1HD2 ASN 4 17.522 16.611 0.253 478 HD22 ASN 4 2HD2 ASN 4 18.401 16.955 -1.244 479 H ASP 5 H ASP 5 13.339 13.897 0.089 480 HA ASP 5 HA ASP 5 15.598 12.097 -0.410 481 HB2 ASP 5 1HB ASP 5 14.555 10.863 1.453 482 HB3 ASP 5 2HB ASP 5 15.061 12.491 1.887 483 H PHE 6 H PHE 6 12.072 12.210 -0.576 484 HA PHE 6 HA PHE 6 12.063 10.034 -2.667 485 HB2 PHE 6 1HB PHE 6 9.915 11.207 -0.900 486 HB3 PHE 6 2HB PHE 6 9.526 10.292 -2.347 487 HD1 PHE 6 2HD PHE 6 11.300 10.035 0.952 488 HD2 PHE 6 1HD PHE 6 9.582 7.967 -2.402 489 HE1 PHE 6 2HE PHE 6 11.495 7.893 2.179 490 HE2 PHE 6 1HE PHE 6 9.725 5.808 -1.159 491 HZ PHE 6 HZ PHE 6 10.697 5.772 1.131 492 H VAL 7 H VAL 7 13.289 11.662 -3.889 493 HA VAL 7 HA VAL 7 11.856 14.051 -4.694 494 HB VAL 7 HB VAL 7 14.266 13.916 -4.052 495 HG11 VAL 7 1HG1 VAL 7 14.521 12.350 -6.618 496 HG12 VAL 7 2HG1 VAL 7 15.810 13.464 -6.155 497 HG13 VAL 7 3HG1 VAL 7 15.344 12.158 -5.056 498 HG21 VAL 7 3HG2 VAL 7 13.273 15.855 -5.218 499 HG22 VAL 7 1HG2 VAL 7 15.005 15.637 -5.480 500 HG23 VAL 7 2HG2 VAL 7 13.873 15.186 -6.765 501 H ASP 8 H ASP 8 11.616 14.777 -6.799 502 HA ASP 8 HA ASP 8 11.261 14.876 -9.003 503 HB2 ASP 8 1HB ASP 8 13.469 13.730 -9.081 504 HB3 ASP 8 2HB ASP 8 12.656 12.178 -9.182 505 H SER 9 H SER 9 10.823 11.401 -8.604 506 HA SER 9 HA SER 9 8.020 11.659 -9.601 507 HB2 SER 9 1HB SER 9 9.444 9.423 -10.861 508 HB3 SER 9 2HB SER 9 8.147 10.459 -11.433 509 HG SER 9 HG SER 9 10.818 11.570 -11.599 510 H TYR 10 H TYR 10 7.182 9.172 -9.872 511 HA TYR 10 HA TYR 10 5.947 8.930 -7.379 512 HB2 TYR 10 1HB TYR 10 6.328 6.891 -9.608 513 HB3 TYR 10 2HB TYR 10 5.358 6.598 -8.196 514 HD1 TYR 10 2HD TYR 10 5.682 9.053 -11.053 515 HD2 TYR 10 1HD TYR 10 3.143 7.160 -8.129 516 HE1 TYR 10 2HE TYR 10 3.691 10.175 -12.048 517 HE2 TYR 10 1HE TYR 10 1.149 8.199 -9.179 518 HH TYR 10 HH TYR 10 0.370 9.786 -10.694 519 H ASP 11 H ASP 11 6.265 7.541 -5.589 520 HA ASP 11 HA ASP 11 8.574 5.671 -5.437 521 HB2 ASP 11 1HB ASP 11 8.138 6.859 -3.408 522 HB3 ASP 11 2HB ASP 11 6.431 6.448 -3.444 523 H VAL 12 H VAL 12 8.289 3.539 -5.359 524 HA VAL 12 HA VAL 12 5.612 2.350 -5.270 525 HB VAL 12 HB VAL 12 7.696 1.278 -7.205 526 HG11 VAL 12 1HG1 VAL 12 4.761 0.518 -6.962 527 HG12 VAL 12 2HG1 VAL 12 6.075 -0.355 -7.732 528 HG13 VAL 12 3HG1 VAL 12 5.993 -0.296 -5.974 529 HG21 VAL 12 3HG2 VAL 12 6.169 1.887 -9.000 530 HG22 VAL 12 1HG2 VAL 12 5.077 2.687 -7.842 531 HG23 VAL 12 2HG2 VAL 12 6.688 3.343 -8.149 532 H THR 13 H THR 13 6.081 2.121 -3.115 533 HA THR 13 HA THR 13 8.290 0.452 -2.112 534 HB THR 13 HB THR 13 5.532 0.959 -0.971 535 HG1 THR 13 1HG THR 13 6.972 2.928 -1.279 536 HG21 THR 13 3HG2 THR 13 8.103 0.047 0.369 537 HG22 THR 13 1HG2 THR 13 6.570 0.399 1.193 538 HG23 THR 13 2HG2 THR 13 6.672 -0.970 0.076 539 H MET 14 H MET 14 8.435 -1.725 -2.674 540 HA MET 14 HA MET 14 5.850 -3.208 -2.878 541 HB2 MET 14 1HB MET 14 6.639 -2.598 -5.193 542 HB3 MET 14 2HB MET 14 8.071 -3.603 -4.909 543 HG2 MET 14 1HG MET 14 6.603 -5.562 -4.501 544 HG3 MET 14 2HG MET 14 5.176 -4.564 -4.746 545 HE1 MET 14 3HE MET 14 4.216 -3.910 -7.057 546 HE2 MET 14 1HE MET 14 5.631 -2.848 -7.254 547 HE3 MET 14 2HE MET 14 5.155 -3.942 -8.566 548 H LEU 15 H LEU 15 5.839 -5.230 -2.176 549 HA LEU 15 HA LEU 15 8.383 -6.485 -1.476 550 HB2 LEU 15 1HB LEU 15 8.175 -6.316 0.712 551 HB3 LEU 15 2HB LEU 15 6.863 -5.199 0.448 552 HG LEU 15 HG LEU 15 5.284 -7.225 0.561 553 HD11 LEU 15 1HD1 LEU 15 7.812 -8.475 1.765 554 HD12 LEU 15 2HD1 LEU 15 6.174 -9.123 1.955 555 HD13 LEU 15 3HD1 LEU 15 6.932 -9.104 0.369 556 HD21 LEU 15 3HD2 LEU 15 6.968 -6.526 3.001 557 HD22 LEU 15 1HD2 LEU 15 5.633 -5.542 2.374 558 HD23 LEU 15 2HD2 LEU 15 5.312 -7.162 3.009 559 H LEU 16 H LEU 16 8.512 -8.516 -1.866 560 HA LEU 16 HA LEU 16 6.123 -9.990 -2.871 561 HB2 LEU 16 1HB LEU 16 8.952 -10.250 -3.958 562 HB3 LEU 16 2HB LEU 16 7.518 -11.091 -4.498 563 HG LEU 16 HG LEU 16 8.031 -9.623 -6.180 564 HD11 LEU 16 1HD1 LEU 16 6.144 -8.131 -6.384 565 HD12 LEU 16 2HD1 LEU 16 5.652 -9.674 -5.674 566 HD13 LEU 16 3HD1 LEU 16 5.848 -8.233 -4.633 567 HD21 LEU 16 3HD2 LEU 16 9.572 -8.158 -4.981 568 HD22 LEU 16 1HD2 LEU 16 8.448 -7.276 -6.028 569 HD23 LEU 16 2HD2 LEU 16 8.198 -7.273 -4.276 570 H GLN 17 H GLN 17 6.413 -12.308 -2.815 571 HA GLN 17 HA GLN 17 8.308 -13.280 -0.719 572 HB2 GLN 17 1HB GLN 17 5.924 -13.506 -0.139 573 HB3 GLN 17 2HB GLN 17 5.661 -14.503 -1.575 574 HG2 GLN 17 1HG GLN 17 7.199 -16.200 -0.733 575 HG3 GLN 17 2HG GLN 17 7.688 -15.158 0.615 576 HE21 GLN 17 1HE2 GLN 17 5.533 -17.627 -0.340 577 HE22 GLN 17 2HE2 GLN 17 4.455 -17.471 1.055 578 H ASP 18 H ASP 18 9.934 -14.412 -1.372 579 HA ASP 18 HA ASP 18 10.321 -15.264 -4.113 580 HB2 ASP 18 1HB ASP 18 12.555 -15.871 -3.119 581 HB3 ASP 18 2HB ASP 18 12.094 -14.199 -2.817 582 H ASP 19 H ASP 19 11.415 -17.421 -4.374 583 HA ASP 19 HA ASP 19 9.580 -19.516 -4.025 584 HB2 ASP 19 1HB ASP 19 11.244 -19.261 -5.833 585 HB3 ASP 19 2HB ASP 19 12.551 -19.578 -4.690 586 H ASP 20 H ASP 20 12.256 -18.577 -1.889 587 HA ASP 20 HA ASP 20 11.941 -21.062 -0.279 588 HB2 ASP 20 1HB ASP 20 13.870 -18.725 -0.103 589 HB3 ASP 20 2HB ASP 20 13.797 -20.028 1.082 590 H GLY 21 H GLY 21 10.400 -18.089 -0.500 591 HA2 GLY 21 1HA GLY 21 8.589 -17.414 0.753 592 HA3 GLY 21 2HA GLY 21 8.955 -18.656 1.949 593 H LYS 22 H LYS 22 11.492 -16.334 1.169 594 HA LYS 22 HA LYS 22 11.710 -15.728 4.034 595 HB2 LYS 22 1HB LYS 22 13.203 -14.572 1.644 596 HB3 LYS 22 2HB LYS 22 13.650 -14.371 3.341 597 HG2 LYS 22 1HG LYS 22 13.945 -16.831 3.561 598 HG3 LYS 22 2HG LYS 22 13.570 -17.043 1.848 599 HD2 LYS 22 1HD LYS 22 15.893 -15.460 3.015 600 HD3 LYS 22 2HD LYS 22 16.006 -17.048 2.258 601 HE2 LYS 22 1HE LYS 22 15.174 -14.458 0.869 602 HE3 LYS 22 2HE LYS 22 16.764 -15.214 0.770 603 HZ1 LYS 22 3HZ LYS 22 15.675 -17.161 -0.281 604 HZ2 LYS 22 1HZ LYS 22 14.215 -16.411 -0.221 605 HZ3 LYS 22 2HZ LYS 22 15.398 -15.787 -1.145 606 H GLN 23 H GLN 23 10.650 -14.044 1.208 607 HA GLN 23 HA GLN 23 9.423 -12.206 0.795 608 HB2 GLN 23 1HB GLN 23 9.078 -11.787 3.786 609 HB3 GLN 23 2HB GLN 23 8.390 -10.780 2.515 610 HG2 GLN 23 1HG GLN 23 7.230 -12.764 1.573 611 HG3 GLN 23 2HG GLN 23 7.826 -13.744 2.923 612 HE21 GLN 23 1HE2 GLN 23 5.252 -13.965 2.854 613 HE22 GLN 23 2HE2 GLN 23 4.494 -12.799 3.980 614 H TYR 24 H TYR 24 10.072 -10.331 0.053 615 HA TYR 24 HA TYR 24 12.189 -8.860 1.536 616 HB2 TYR 24 1HB TYR 24 13.638 -8.682 -0.347 617 HB3 TYR 24 2HB TYR 24 13.355 -10.379 -0.019 618 HD1 TYR 24 2HD TYR 24 11.854 -11.735 -1.542 619 HD2 TYR 24 1HD TYR 24 12.978 -7.662 -2.434 620 HE1 TYR 24 2HE TYR 24 11.290 -12.101 -3.935 621 HE2 TYR 24 1HE TYR 24 12.398 -8.040 -4.835 622 HH TYR 24 HH TYR 24 11.426 -11.295 -6.091 623 H TYR 25 H TYR 25 12.473 -6.730 0.948 624 HA TYR 25 HA TYR 25 10.053 -5.368 -0.126 625 HB2 TYR 25 1HB TYR 25 9.946 -5.795 2.312 626 HB3 TYR 25 2HB TYR 25 11.550 -5.125 2.526 627 HD1 TYR 25 2HD TYR 25 11.948 -2.643 2.267 628 HD2 TYR 25 1HD TYR 25 8.015 -4.403 2.273 629 HE1 TYR 25 2HE TYR 25 10.974 -0.464 2.944 630 HE2 TYR 25 1HE TYR 25 7.035 -2.213 2.940 631 HH TYR 25 HH TYR 25 8.952 0.748 3.364 632 H GLU 26 H GLU 26 10.460 -3.484 -1.220 633 HA GLU 26 HA GLU 26 12.939 -2.002 -0.694 634 HB2 GLU 26 1HB GLU 26 13.587 -3.743 -2.380 635 HB3 GLU 26 2HB GLU 26 12.316 -3.162 -3.435 636 HG2 GLU 26 1HG GLU 26 14.459 -2.323 -4.189 637 HG3 GLU 26 2HG GLU 26 13.500 -0.965 -3.626 638 H TYR 27 H TYR 27 12.876 0.086 -1.313 639 HA TYR 27 HA TYR 27 10.306 1.312 -2.223 640 HB2 TYR 27 1HB TYR 27 12.951 2.526 -1.339 641 HB3 TYR 27 2HB TYR 27 11.534 3.434 -1.861 642 HD1 TYR 27 2HD TYR 27 9.408 3.330 -0.526 643 HD2 TYR 27 1HD TYR 27 13.137 1.690 0.892 644 HE1 TYR 27 2HE TYR 27 8.553 3.410 1.815 645 HE2 TYR 27 1HE TYR 27 12.309 1.797 3.228 646 HH TYR 27 HH TYR 27 10.575 2.443 4.595 647 H HIS 28 H HIS 28 10.085 1.021 -4.437 648 HA HIS 28 HA HIS 28 12.487 1.497 -6.163 649 HB2 HIS 28 1HB HIS 28 9.741 0.435 -6.898 650 HB3 HIS 28 2HB HIS 28 11.128 0.591 -7.968 651 HD1 HIS 28 1HD HIS 28 13.170 -1.167 -7.540 652 HD2 HIS 28 2HD HIS 28 9.639 -1.642 -5.284 653 HE1 HIS 28 1HE HIS 28 13.217 -3.585 -6.631 654 HE2 HIS 28 2HE HIS 28 11.058 -3.856 -5.230 655 H LYS 29 H LYS 29 12.580 3.697 -5.673 656 HA LYS 29 HA LYS 29 10.256 5.374 -6.497 657 HB2 LYS 29 1HB LYS 29 10.966 6.952 -4.794 658 HB3 LYS 29 2HB LYS 29 10.839 5.344 -4.087 659 HG2 LYS 29 1HG LYS 29 13.297 5.050 -4.248 660 HG3 LYS 29 2HG LYS 29 13.449 6.675 -4.943 661 HD2 LYS 29 1HD LYS 29 12.466 7.640 -2.865 662 HD3 LYS 29 2HD LYS 29 12.290 6.004 -2.207 663 HE2 LYS 29 1HE LYS 29 14.314 6.409 -1.274 664 HE3 LYS 29 2HE LYS 29 14.903 5.885 -2.851 665 HZ1 LYS 29 3HZ LYS 29 14.943 8.269 -3.504 666 HZ2 LYS 29 1HZ LYS 29 14.477 8.724 -2.021 667 HZ3 LYS 29 2HZ LYS 29 15.920 7.993 -2.208 668 H GLY 30 H GLY 30 10.695 7.616 -7.108 669 HA2 GLY 30 1HA GLY 30 11.705 9.211 -8.456 670 HA3 GLY 30 2HA GLY 30 13.227 8.307 -8.382 671 H LEU 31 H LEU 31 10.030 7.119 -9.466 672 HA LEU 31 HA LEU 31 10.916 6.948 -12.255 673 HB2 LEU 31 1HB LEU 31 10.548 4.516 -12.381 674 HB3 LEU 31 2HB LEU 31 11.912 4.984 -11.409 675 HG LEU 31 HG LEU 31 10.679 4.506 -9.330 676 HD11 LEU 31 1HD1 LEU 31 8.434 3.525 -11.159 677 HD12 LEU 31 2HD1 LEU 31 8.599 3.136 -9.440 678 HD13 LEU 31 3HD1 LEU 31 8.332 4.805 -9.923 679 HD21 LEU 31 3HD2 LEU 31 12.066 2.802 -10.519 680 HD22 LEU 31 1HD2 LEU 31 10.755 2.099 -9.556 681 HD23 LEU 31 2HD2 LEU 31 10.595 2.200 -11.319 682 H SER 32 H SER 32 8.925 5.443 -13.378 683 HA SER 32 HA SER 32 6.487 6.954 -12.551 684 HB2 SER 32 1HB SER 32 6.281 7.815 -14.675 685 HB3 SER 32 2HB SER 32 7.997 7.984 -14.335 686 HG SER 32 HG SER 32 8.343 5.884 -15.468 687 H LEU 33 H LEU 33 4.713 6.261 -14.352 688 HA LEU 33 HA LEU 33 3.920 3.784 -13.159 689 HB2 LEU 33 1HB LEU 33 2.618 5.605 -15.225 690 HB3 LEU 33 2HB LEU 33 1.844 4.142 -14.637 691 HG LEU 33 HG LEU 33 1.000 6.066 -13.474 692 HD11 LEU 33 1HD1 LEU 33 1.174 3.909 -12.221 693 HD12 LEU 33 2HD1 LEU 33 2.753 4.460 -11.621 694 HD13 LEU 33 3HD1 LEU 33 1.288 5.325 -11.152 695 HD21 LEU 33 3HD2 LEU 33 2.181 7.423 -12.071 696 HD22 LEU 33 1HD2 LEU 33 3.709 6.562 -12.214 697 HD23 LEU 33 2HD2 LEU 33 3.057 7.507 -13.598 698 H SER 34 H SER 34 5.280 4.454 -16.305 699 HA SER 34 HA SER 34 4.757 1.807 -17.399 700 HB2 SER 34 1HB SER 34 6.473 2.622 -19.050 701 HB3 SER 34 2HB SER 34 5.071 3.705 -18.868 702 HG SER 34 HG SER 34 7.206 4.769 -18.754 703 H ASP 35 H ASP 35 7.161 3.307 -15.269 704 HA ASP 35 HA ASP 35 9.088 1.101 -15.487 705 HB2 ASP 35 1HB ASP 35 8.869 3.300 -13.410 706 HB3 ASP 35 2HB ASP 35 10.268 2.288 -13.723 707 H PHE 36 H PHE 36 6.511 2.127 -13.270 708 HA PHE 36 HA PHE 36 6.582 -0.082 -11.435 709 HB2 PHE 36 1HB PHE 36 5.191 1.822 -10.958 710 HB3 PHE 36 2HB PHE 36 4.389 1.709 -12.504 711 HD1 PHE 36 1HD PHE 36 5.010 -0.772 -9.722 712 HD2 PHE 36 2HD PHE 36 2.171 1.088 -12.380 713 HE1 PHE 36 1HE PHE 36 3.207 -2.214 -8.813 714 HE2 PHE 36 2HE PHE 36 0.371 -0.347 -11.459 715 HZ PHE 36 HZ PHE 36 0.895 -2.014 -9.696 716 H GLU 37 H GLU 37 4.929 0.292 -14.608 717 HA GLU 37 HA GLU 37 3.733 -2.230 -14.795 718 HB2 GLU 37 1HB GLU 37 3.650 -0.108 -16.313 719 HB3 GLU 37 2HB GLU 37 5.028 -0.830 -17.146 720 HG2 GLU 37 1HG GLU 37 3.638 -2.892 -17.530 721 HG3 GLU 37 2HG GLU 37 2.274 -2.064 -16.762 722 H VAL 38 H VAL 38 7.112 -1.337 -15.465 723 HA VAL 38 HA VAL 38 7.926 -3.987 -16.357 724 HB VAL 38 HB VAL 38 9.570 -1.654 -15.285 725 HG11 VAL 38 1HG1 VAL 38 10.493 -4.246 -16.598 726 HG12 VAL 38 2HG1 VAL 38 11.519 -2.834 -16.252 727 HG13 VAL 38 3HG1 VAL 38 10.821 -3.755 -14.919 728 HG21 VAL 38 3HG2 VAL 38 9.135 -2.753 -18.102 729 HG22 VAL 38 1HG2 VAL 38 8.457 -1.245 -17.475 730 HG23 VAL 38 2HG2 VAL 38 10.204 -1.397 -17.662 731 H LEU 39 H LEU 39 8.182 -2.293 -13.175 732 HA LEU 39 HA LEU 39 9.441 -4.411 -11.781 733 HB2 LEU 39 1HB LEU 39 9.271 -2.159 -10.895 734 HB3 LEU 39 2HB LEU 39 7.513 -2.258 -10.857 735 HG LEU 39 HG LEU 39 7.652 -4.037 -9.094 736 HD11 LEU 39 1HD1 LEU 39 9.963 -4.867 -9.569 737 HD12 LEU 39 2HD1 LEU 39 10.617 -3.313 -9.026 738 HD13 LEU 39 3HD1 LEU 39 9.752 -4.380 -7.886 739 HD21 LEU 39 3HD2 LEU 39 9.105 -1.429 -8.505 740 HD22 LEU 39 1HD2 LEU 39 7.360 -1.665 -8.636 741 HD23 LEU 39 2HD2 LEU 39 8.247 -2.453 -7.318 742 H TYR 40 H TYR 40 5.931 -3.738 -12.010 743 HA TYR 40 HA TYR 40 5.111 -6.078 -10.541 744 HB2 TYR 40 1HB TYR 40 3.793 -4.025 -10.694 745 HB3 TYR 40 2HB TYR 40 3.660 -4.193 -12.440 746 HD1 TYR 40 1HD TYR 40 3.066 -6.364 -9.396 747 HD2 TYR 40 2HD TYR 40 1.573 -4.934 -13.190 748 HE1 TYR 40 1HE TYR 40 1.017 -7.751 -9.121 749 HE2 TYR 40 2HE TYR 40 -0.470 -6.324 -12.909 750 HH TYR 40 HH TYR 40 -1.337 -8.196 -11.685 751 H GLY 41 H GLY 41 5.992 -5.628 -13.923 752 HA2 GLY 41 1HA GLY 41 4.647 -8.106 -14.794 753 HA3 GLY 41 2HA GLY 41 5.572 -6.972 -15.781 754 H ASN 42 H ASN 42 7.978 -6.995 -14.170 755 HA ASN 42 HA ASN 42 9.115 -9.377 -15.447 756 HB2 ASN 42 1HB ASN 42 9.871 -7.007 -15.794 757 HB3 ASN 42 2HB ASN 42 10.389 -6.953 -14.105 758 HD21 ASN 42 1HD2 ASN 42 12.522 -7.488 -13.742 759 HD22 ASN 42 2HD2 ASN 42 13.445 -8.478 -14.881 760 H THR 43 H THR 43 8.587 -8.288 -12.162 761 HA THR 43 HA THR 43 10.863 -9.570 -11.000 762 HB THR 43 HB THR 43 8.290 -8.646 -9.663 763 HG1 THR 43 1HG THR 43 9.040 -6.869 -10.483 764 HG21 THR 43 3HG2 THR 43 9.818 -8.291 -7.697 765 HG22 THR 43 1HG2 THR 43 9.581 -9.999 -8.096 766 HG23 THR 43 2HG2 THR 43 11.087 -9.179 -8.562 767 H ALA 44 H ALA 44 7.587 -10.678 -11.463 768 HA ALA 44 HA ALA 44 6.518 -12.629 -11.352 769 HB1 ALA 44 3HB ALA 44 7.688 -14.540 -12.196 770 HB2 ALA 44 1HB ALA 44 8.343 -13.089 -12.990 771 HB3 ALA 44 2HB ALA 44 9.256 -13.881 -11.683 772 H ASP 45 H ASP 45 8.722 -12.198 -8.743 773 HA ASP 45 HA ASP 45 7.810 -14.448 -7.159 774 HB2 ASP 45 1HB ASP 45 8.925 -11.737 -6.394 775 HB3 ASP 45 2HB ASP 45 8.592 -13.029 -5.243 776 H GLU 46 H GLU 46 6.380 -14.326 -5.308 777 HA GLU 46 HA GLU 46 3.813 -13.486 -6.299 778 HB2 GLU 46 1HB GLU 46 4.644 -14.677 -3.626 779 HB3 GLU 46 2HB GLU 46 2.974 -14.474 -4.154 780 HG2 GLU 46 1HG GLU 46 5.061 -16.175 -5.603 781 HG3 GLU 46 2HG GLU 46 3.854 -16.786 -4.475 782 H ILE 47 H ILE 47 2.698 -11.703 -5.945 783 HA ILE 47 HA ILE 47 3.781 -9.550 -4.428 784 HB ILE 47 HB ILE 47 2.671 -9.189 -6.535 785 HG12 ILE 47 1HG1 ILE 47 1.049 -7.367 -5.938 786 HG13 ILE 47 2HG1 ILE 47 1.142 -7.865 -4.254 787 HG21 ILE 47 1HG2 ILE 47 0.032 -9.983 -5.248 788 HG22 ILE 47 2HG2 ILE 47 0.306 -9.407 -6.898 789 HG23 ILE 47 3HG2 ILE 47 0.927 -10.982 -6.407 790 HD11 ILE 47 3HD1 ILE 47 2.985 -6.224 -5.858 791 HD12 ILE 47 1HD1 ILE 47 2.822 -6.359 -4.091 792 HD13 ILE 47 2HD1 ILE 47 3.836 -7.495 -4.984 793 H ILE 48 H ILE 48 3.568 -8.919 -2.480 794 HA ILE 48 HA ILE 48 1.520 -10.055 -0.676 795 HB ILE 48 HB ILE 48 4.391 -9.241 -0.094 796 HG12 ILE 48 1HG1 ILE 48 4.436 -11.312 -1.292 797 HG13 ILE 48 2HG1 ILE 48 4.896 -11.556 0.376 798 HG21 ILE 48 1HG2 ILE 48 2.234 -10.322 1.747 799 HG22 ILE 48 2HG2 ILE 48 3.961 -10.282 2.164 800 HG23 ILE 48 3HG2 ILE 48 3.094 -8.773 1.864 801 HD11 ILE 48 3HD1 ILE 48 3.398 -13.335 -0.679 802 HD12 ILE 48 1HD1 ILE 48 2.850 -12.694 0.888 803 HD13 ILE 48 2HD1 ILE 48 2.088 -12.166 -0.638 804 H LYS 49 H LYS 49 3.640 -7.210 -1.345 805 HA LYS 49 HA LYS 49 1.391 -5.461 -0.531 806 HB2 LYS 49 1HB LYS 49 2.906 -5.968 1.449 807 HB3 LYS 49 2HB LYS 49 4.200 -5.125 0.570 808 HG2 LYS 49 1HG LYS 49 2.900 -3.044 0.570 809 HG3 LYS 49 2HG LYS 49 1.513 -3.886 1.274 810 HD2 LYS 49 1HD LYS 49 3.023 -4.458 3.270 811 HD3 LYS 49 2HD LYS 49 4.245 -3.407 2.535 812 HE2 LYS 49 1HE LYS 49 3.145 -2.021 4.073 813 HE3 LYS 49 2HE LYS 49 2.440 -1.569 2.512 814 HZ1 LYS 49 3HZ LYS 49 0.819 -2.017 4.438 815 HZ2 LYS 49 1HZ LYS 49 0.462 -2.855 3.038 816 HZ3 LYS 49 2HZ LYS 49 1.157 -3.628 4.201 817 H LEU 50 H LEU 50 1.339 -3.529 -1.499 818 HA LEU 50 HA LEU 50 3.609 -2.462 -3.059 819 HB2 LEU 50 1HB LEU 50 2.773 -3.714 -4.778 820 HB3 LEU 50 2HB LEU 50 1.137 -3.692 -4.165 821 HG LEU 50 HG LEU 50 0.818 -1.370 -4.977 822 HD11 LEU 50 1HD1 LEU 50 3.593 -1.752 -6.181 823 HD12 LEU 50 2HD1 LEU 50 2.439 -0.487 -6.657 824 HD13 LEU 50 3HD1 LEU 50 3.112 -0.497 -5.027 825 HD21 LEU 50 3HD2 LEU 50 0.734 -2.011 -7.355 826 HD22 LEU 50 1HD2 LEU 50 1.768 -3.420 -7.018 827 HD23 LEU 50 2HD2 LEU 50 0.145 -3.304 -6.307 828 H ARG 51 H ARG 51 3.764 -0.403 -2.536 829 HA ARG 51 HA ARG 51 1.311 1.231 -2.215 830 HB2 ARG 51 1HB ARG 51 2.424 0.619 -0.008 831 HB3 ARG 51 2HB ARG 51 3.737 1.687 -0.471 832 HG2 ARG 51 1HG ARG 51 0.822 2.469 -0.193 833 HG3 ARG 51 2HG ARG 51 2.099 2.763 0.988 834 HD2 ARG 51 1HD ARG 51 1.822 4.020 -1.768 835 HD3 ARG 51 2HD ARG 51 1.596 4.806 -0.226 836 HE ARG 51 HE ARG 51 4.183 3.975 -1.465 837 HH11 ARG 51 2HH2 ARG 51 2.673 5.554 1.278 838 HH12 ARG 51 1HH2 ARG 51 4.132 6.423 1.704 839 HH21 ARG 51 1HH1 ARG 51 6.029 5.030 -0.841 840 HH22 ARG 51 2HH1 ARG 51 5.999 6.126 0.525 841 H LEU 52 H LEU 52 1.329 2.079 -4.139 842 HA LEU 52 HA LEU 52 3.718 3.431 -5.259 843 HB2 LEU 52 1HB LEU 52 2.443 1.994 -6.716 844 HB3 LEU 52 2HB LEU 52 0.950 2.862 -6.377 845 HG LEU 52 HG LEU 52 3.276 4.397 -7.548 846 HD11 LEU 52 1HD1 LEU 52 1.329 2.704 -9.172 847 HD12 LEU 52 2HD1 LEU 52 2.667 3.735 -9.734 848 HD13 LEU 52 3HD1 LEU 52 3.028 2.266 -8.869 849 HD21 LEU 52 3HD2 LEU 52 0.237 4.534 -7.905 850 HD22 LEU 52 1HD2 LEU 52 1.220 5.688 -6.989 851 HD23 LEU 52 2HD2 LEU 52 1.403 5.571 -8.739 852 H ASP 53 H ASP 53 3.923 5.594 -5.250 853 HA ASP 53 HA ASP 53 1.702 7.360 -4.330 854 HB2 ASP 53 1HB ASP 53 2.660 6.438 -2.300 855 HB3 ASP 53 2HB ASP 53 4.291 6.873 -2.810 856 H LYS 54 H LYS 54 1.696 8.878 -5.878 857 HA LYS 54 HA LYS 54 4.003 10.098 -7.143 858 HB2 LYS 54 1HB LYS 54 1.705 10.273 -8.036 859 HB3 LYS 54 2HB LYS 54 1.235 10.996 -6.536 860 HG2 LYS 54 1HG LYS 54 1.400 12.624 -8.379 861 HG3 LYS 54 2HG LYS 54 2.465 13.043 -7.042 862 HD2 LYS 54 1HD LYS 54 4.425 12.189 -8.273 863 HD3 LYS 54 2HD LYS 54 3.367 11.499 -9.500 864 HE2 LYS 54 1HE LYS 54 4.247 13.490 -10.449 865 HE3 LYS 54 2HE LYS 54 2.538 13.756 -10.082 866 HZ1 LYS 54 3HZ LYS 54 4.892 14.802 -8.620 867 HZ2 LYS 54 1HZ LYS 54 3.620 15.654 -9.244 868 HZ3 LYS 54 2HZ LYS 54 3.475 14.725 -7.883 869 H VAL 55 H VAL 55 5.490 10.596 -5.895 870 HA VAL 55 HA VAL 55 5.569 12.218 -3.594 871 HB VAL 55 HB VAL 55 7.841 12.534 -4.194 872 HG11 VAL 55 1HG1 VAL 55 8.659 10.312 -4.506 873 HG12 VAL 55 2HG1 VAL 55 7.182 10.244 -3.518 874 HG13 VAL 55 3HG1 VAL 55 7.142 9.791 -5.236 875 HG21 VAL 55 3HG2 VAL 55 7.203 11.698 -7.016 876 HG22 VAL 55 1HG2 VAL 55 7.700 13.319 -6.487 877 HG23 VAL 55 2HG2 VAL 55 8.834 11.984 -6.348 878 H LEU 56 H LEU 56 6.420 14.350 -3.541 879 HA LEU 56 HA LEU 56 4.698 16.334 -4.554 880 HB2 LEU 56 1HB LEU 56 6.099 16.445 -2.508 881 HB3 LEU 56 2HB LEU 56 7.538 16.540 -3.511 882 HG LEU 56 HG LEU 56 6.025 18.668 -4.510 883 HD11 LEU 56 1HD1 LEU 56 5.282 19.931 -2.512 884 HD12 LEU 56 2HD1 LEU 56 4.324 18.452 -2.725 885 HD13 LEU 56 3HD1 LEU 56 5.604 18.516 -1.490 886 HD21 LEU 56 3HD2 LEU 56 7.983 18.642 -2.214 887 HD22 LEU 56 1HD2 LEU 56 8.413 18.722 -3.945 888 HD23 LEU 56 2HD2 LEU 56 7.556 20.077 -3.185 Start of MODEL 17 1 H1 MET 1 1H MET 1 -13.332 -16.136 8.830 2 H2 MET 1 2H MET 1 -14.341 -14.961 9.459 3 H3 MET 1 3H MET 1 -13.839 -16.239 10.418 4 HA MET 1 HA MET 1 -11.946 -15.273 10.954 5 HB2 MET 1 1HB MET 1 -11.141 -15.726 8.632 6 HB3 MET 1 2HB MET 1 -11.793 -14.161 8.115 7 HG2 MET 1 1HG MET 1 -9.358 -14.097 8.631 8 HG3 MET 1 2HG MET 1 -10.296 -12.981 9.623 9 HE1 MET 1 3HE MET 1 -8.111 -13.178 12.223 10 HE2 MET 1 1HE MET 1 -7.079 -14.094 11.038 11 HE3 MET 1 2HE MET 1 -8.143 -12.754 10.454 12 H VAL 2 H VAL 2 -11.887 -13.612 12.277 13 HA VAL 2 HA VAL 2 -13.805 -11.480 12.106 14 HB VAL 2 HB VAL 2 -12.809 -12.521 14.182 15 HG11 VAL 2 1HG1 VAL 2 -10.673 -11.751 15.035 16 HG12 VAL 2 2HG1 VAL 2 -10.396 -12.502 13.457 17 HG13 VAL 2 3HG1 VAL 2 -10.399 -10.733 13.614 18 HG21 VAL 2 3HG2 VAL 2 -12.506 -9.495 14.128 19 HG22 VAL 2 1HG2 VAL 2 -14.064 -10.360 14.210 20 HG23 VAL 2 2HG2 VAL 2 -12.864 -10.533 15.503 21 H GLN 3 H GLN 3 -13.287 -9.319 12.072 22 HA GLN 3 HA GLN 3 -11.878 -8.337 9.863 23 HB2 GLN 3 1HB GLN 3 -12.998 -6.976 12.361 24 HB3 GLN 3 2HB GLN 3 -12.340 -6.121 10.970 25 HG2 GLN 3 1HG GLN 3 -14.669 -6.200 10.641 26 HG3 GLN 3 2HG GLN 3 -13.990 -7.291 9.469 27 HE21 GLN 3 1HE2 GLN 3 -16.031 -6.992 11.428 28 HE22 GLN 3 2HE2 GLN 3 -16.298 -8.848 11.570 29 H ASN 4 H ASN 4 -9.836 -8.437 9.672 30 HA ASN 4 HA ASN 4 -8.017 -7.522 11.842 31 HB2 ASN 4 1HB ASN 4 -8.401 -9.967 12.096 32 HB3 ASN 4 2HB ASN 4 -7.916 -10.242 10.418 33 HD21 ASN 4 1HD2 ASN 4 -6.814 -9.144 13.648 34 HD22 ASN 4 2HD2 ASN 4 -5.111 -9.423 13.278 35 H ASP 5 H ASP 5 -8.046 -8.859 8.521 36 HA ASP 5 HA ASP 5 -6.309 -6.612 7.634 37 HB2 ASP 5 1HB ASP 5 -4.989 -8.664 8.442 38 HB3 ASP 5 2HB ASP 5 -5.669 -9.527 7.073 39 H PHE 6 H PHE 6 -9.109 -7.343 7.156 40 HA PHE 6 HA PHE 6 -10.728 -7.763 5.582 41 HB2 PHE 6 1HB PHE 6 -8.733 -6.997 3.447 42 HB3 PHE 6 2HB PHE 6 -10.476 -6.933 3.366 43 HD1 PHE 6 1HD PHE 6 -11.653 -5.291 5.129 44 HD2 PHE 6 2HD PHE 6 -7.541 -5.049 3.838 45 HE1 PHE 6 1HE PHE 6 -11.674 -2.830 5.492 46 HE2 PHE 6 2HE PHE 6 -7.569 -2.609 4.173 47 HZ PHE 6 HZ PHE 6 -9.645 -1.480 4.976 48 H VAL 7 H VAL 7 -9.473 -10.014 6.440 49 HA VAL 7 HA VAL 7 -8.177 -11.576 4.505 50 HB VAL 7 HB VAL 7 -9.600 -12.527 7.009 51 HG11 VAL 7 1HG1 VAL 7 -7.892 -14.379 6.875 52 HG12 VAL 7 2HG1 VAL 7 -9.028 -14.421 5.527 53 HG13 VAL 7 3HG1 VAL 7 -7.394 -13.768 5.283 54 HG21 VAL 7 3HG2 VAL 7 -6.770 -11.537 6.488 55 HG22 VAL 7 1HG2 VAL 7 -7.954 -10.792 7.565 56 HG23 VAL 7 2HG2 VAL 7 -7.275 -12.370 7.982 57 H ASP 8 H ASP 8 -9.185 -11.738 2.660 58 HA ASP 8 HA ASP 8 -10.708 -14.203 2.379 59 HB2 ASP 8 1HB ASP 8 -12.604 -12.671 2.432 60 HB3 ASP 8 2HB ASP 8 -11.818 -11.548 1.330 61 H SER 9 H SER 9 -10.144 -11.448 0.238 62 HA SER 9 HA SER 9 -7.781 -12.584 -1.064 63 HB2 SER 9 1HB SER 9 -8.874 -12.354 -3.298 64 HB3 SER 9 2HB SER 9 -9.521 -13.652 -2.317 65 HG SER 9 HG SER 9 -11.380 -12.424 -1.790 66 H TYR 10 H TYR 10 -7.260 -10.834 -2.965 67 HA TYR 10 HA TYR 10 -5.813 -9.143 -1.367 68 HB2 TYR 10 1HB TYR 10 -6.591 -8.951 -4.317 69 HB3 TYR 10 2HB TYR 10 -5.467 -7.860 -3.577 70 HD1 TYR 10 1HD TYR 10 -5.996 -11.463 -4.416 71 HD2 TYR 10 2HD TYR 10 -3.192 -8.405 -3.232 72 HE1 TYR 10 1HE TYR 10 -4.111 -12.987 -4.941 73 HE2 TYR 10 2HE TYR 10 -1.303 -9.922 -3.776 74 HH TYR 10 HH TYR 10 -1.842 -13.212 -5.056 75 H ASP 11 H ASP 11 -5.566 -6.970 -1.170 76 HA ASP 11 HA ASP 11 -8.056 -5.332 -1.005 77 HB2 ASP 11 1HB ASP 11 -7.611 -6.000 1.167 78 HB3 ASP 11 2HB ASP 11 -5.872 -6.049 0.910 79 H VAL 12 H VAL 12 -7.988 -3.842 -2.553 80 HA VAL 12 HA VAL 12 -5.454 -2.387 -3.069 81 HB VAL 12 HB VAL 12 -8.074 -2.275 -4.619 82 HG11 VAL 12 1HG1 VAL 12 -6.788 -0.255 -4.990 83 HG12 VAL 12 2HG1 VAL 12 -5.263 -1.184 -5.129 84 HG13 VAL 12 3HG1 VAL 12 -6.471 -1.316 -6.365 85 HG21 VAL 12 3HG2 VAL 12 -6.826 -4.533 -4.772 86 HG22 VAL 12 1HG2 VAL 12 -7.140 -3.672 -6.291 87 HG23 VAL 12 2HG2 VAL 12 -5.525 -3.619 -5.548 88 H THR 13 H THR 13 -5.307 -0.279 -2.630 89 HA THR 13 HA THR 13 -7.722 1.369 -2.109 90 HB THR 13 HB THR 13 -5.306 1.403 -0.257 91 HG1 THR 13 1HG THR 13 -7.403 -0.110 -0.002 92 HG21 THR 13 3HG2 THR 13 -6.143 3.685 -0.552 93 HG22 THR 13 1HG2 THR 13 -7.821 3.117 -0.337 94 HG23 THR 13 2HG2 THR 13 -6.684 3.073 1.026 95 H MET 14 H MET 14 -7.562 2.450 -4.053 96 HA MET 14 HA MET 14 -4.993 3.930 -4.528 97 HB2 MET 14 1HB MET 14 -7.337 3.701 -6.428 98 HB3 MET 14 2HB MET 14 -5.741 4.375 -6.748 99 HG2 MET 14 1HG MET 14 -4.933 1.930 -6.105 100 HG3 MET 14 2HG MET 14 -6.601 1.510 -6.455 101 HE1 MET 14 3HE MET 14 -7.750 2.609 -8.678 102 HE2 MET 14 1HE MET 14 -6.746 4.028 -9.072 103 HE3 MET 14 2HE MET 14 -6.895 2.694 -10.250 104 H LEU 15 H LEU 15 -5.258 6.180 -5.231 105 HA LEU 15 HA LEU 15 -7.853 7.388 -4.784 106 HB2 LEU 15 1HB LEU 15 -7.165 9.080 -3.139 107 HB3 LEU 15 2HB LEU 15 -7.028 7.449 -2.509 108 HG LEU 15 HG LEU 15 -4.498 7.678 -3.332 109 HD11 LEU 15 1HD1 LEU 15 -3.585 9.852 -3.253 110 HD12 LEU 15 2HD1 LEU 15 -5.069 10.121 -4.198 111 HD13 LEU 15 3HD1 LEU 15 -5.035 10.544 -2.492 112 HD21 LEU 15 3HD2 LEU 15 -5.218 7.292 -0.994 113 HD22 LEU 15 1HD2 LEU 15 -3.911 8.494 -1.064 114 HD23 LEU 15 2HD2 LEU 15 -5.598 9.021 -0.826 115 H LEU 16 H LEU 16 -8.077 9.388 -5.546 116 HA LEU 16 HA LEU 16 -6.144 10.352 -7.603 117 HB2 LEU 16 1HB LEU 16 -9.124 9.722 -7.821 118 HB3 LEU 16 2HB LEU 16 -8.291 10.731 -8.983 119 HG LEU 16 HG LEU 16 -8.533 8.729 -10.040 120 HD11 LEU 16 1HD1 LEU 16 -6.246 9.677 -10.206 121 HD12 LEU 16 2HD1 LEU 16 -5.735 8.552 -8.918 122 HD13 LEU 16 3HD1 LEU 16 -6.304 7.925 -10.487 123 HD21 LEU 16 3HD2 LEU 16 -8.009 6.545 -9.337 124 HD22 LEU 16 1HD2 LEU 16 -7.289 7.089 -7.817 125 HD23 LEU 16 2HD2 LEU 16 -9.049 7.260 -8.081 126 H GLN 17 H GLN 17 -7.183 12.505 -8.499 127 HA GLN 17 HA GLN 17 -8.290 14.110 -6.265 128 HB2 GLN 17 1HB GLN 17 -5.767 14.437 -6.654 129 HB3 GLN 17 2HB GLN 17 -6.209 15.130 -8.227 130 HG2 GLN 17 1HG GLN 17 -7.684 16.799 -7.017 131 HG3 GLN 17 2HG GLN 17 -7.154 16.092 -5.478 132 HE21 GLN 17 1HE2 GLN 17 -5.292 16.994 -4.519 133 HE22 GLN 17 2HE2 GLN 17 -4.222 18.033 -5.471 134 H ASP 18 H ASP 18 -9.836 15.530 -6.791 135 HA ASP 18 HA ASP 18 -10.605 15.929 -9.628 136 HB2 ASP 18 1HB ASP 18 -11.774 13.966 -8.494 137 HB3 ASP 18 2HB ASP 18 -12.465 15.107 -7.342 138 H ASP 19 H ASP 19 -12.581 17.449 -9.517 139 HA ASP 19 HA ASP 19 -13.213 19.722 -9.158 140 HB2 ASP 19 1HB ASP 19 -14.751 17.949 -8.447 141 HB3 ASP 19 2HB ASP 19 -14.075 17.998 -6.815 142 H ASP 20 H ASP 20 -11.226 20.685 -8.918 143 HA ASP 20 HA ASP 20 -10.142 22.550 -8.143 144 HB2 ASP 20 1HB ASP 20 -12.586 22.884 -7.111 145 HB3 ASP 20 2HB ASP 20 -11.727 22.645 -5.591 146 H GLY 21 H GLY 21 -9.877 19.650 -6.735 147 HA2 GLY 21 1HA GLY 21 -7.492 19.232 -5.907 148 HA3 GLY 21 2HA GLY 21 -7.830 20.467 -4.690 149 H LYS 22 H LYS 22 -10.629 18.656 -5.327 150 HA LYS 22 HA LYS 22 -10.788 17.471 -2.721 151 HB2 LYS 22 1HB LYS 22 -12.763 18.165 -4.027 152 HB3 LYS 22 2HB LYS 22 -12.305 17.100 -5.344 153 HG2 LYS 22 1HG LYS 22 -13.917 15.801 -4.310 154 HG3 LYS 22 2HG LYS 22 -12.513 15.167 -3.485 155 HD2 LYS 22 1HD LYS 22 -12.861 16.770 -1.573 156 HD3 LYS 22 2HD LYS 22 -14.285 17.430 -2.392 157 HE2 LYS 22 1HE LYS 22 -14.142 14.432 -2.041 158 HE3 LYS 22 2HE LYS 22 -14.379 15.379 -0.565 159 HZ1 LYS 22 3HZ LYS 22 -16.032 16.209 -2.800 160 HZ2 LYS 22 1HZ LYS 22 -16.391 14.690 -2.224 161 HZ3 LYS 22 2HZ LYS 22 -16.428 16.021 -1.199 162 H GLN 23 H GLN 23 -9.366 15.938 -2.182 163 HA GLN 23 HA GLN 23 -8.469 13.846 -3.992 164 HB2 GLN 23 1HB GLN 23 -7.424 14.784 -1.736 165 HB3 GLN 23 2HB GLN 23 -8.550 13.684 -0.951 166 HG2 GLN 23 1HG GLN 23 -6.819 12.201 -1.136 167 HG3 GLN 23 2HG GLN 23 -7.402 11.963 -2.782 168 HE21 GLN 23 1HE2 GLN 23 -6.152 12.872 -4.574 169 HE22 GLN 23 2HE2 GLN 23 -4.581 13.644 -4.196 170 H TYR 24 H TYR 24 -9.394 11.812 -4.322 171 HA TYR 24 HA TYR 24 -11.466 10.940 -2.416 172 HB2 TYR 24 1HB TYR 24 -13.133 10.467 -3.974 173 HB3 TYR 24 2HB TYR 24 -12.639 12.111 -4.323 174 HD1 TYR 24 1HD TYR 24 -11.219 12.589 -6.372 175 HD2 TYR 24 2HD TYR 24 -12.875 8.673 -5.562 176 HE1 TYR 24 1HE TYR 24 -10.923 11.943 -8.771 177 HE2 TYR 24 2HE TYR 24 -12.607 8.053 -7.927 178 HH TYR 24 HH TYR 24 -12.104 8.831 -10.018 179 H TYR 25 H TYR 25 -11.856 8.756 -2.366 180 HA TYR 25 HA TYR 25 -9.426 7.200 -3.017 181 HB2 TYR 25 1HB TYR 25 -11.610 6.964 -0.915 182 HB3 TYR 25 2HB TYR 25 -10.432 5.700 -1.213 183 HD1 TYR 25 2HD TYR 25 -10.752 9.259 -0.103 184 HD2 TYR 25 1HD TYR 25 -8.225 5.786 -0.439 185 HE1 TYR 25 2HE TYR 25 -9.107 10.333 1.407 186 HE2 TYR 25 1HE TYR 25 -6.586 6.835 1.121 187 HH TYR 25 HH TYR 25 -7.017 10.060 2.554 188 H GLU 26 H GLU 26 -9.487 5.180 -3.712 189 HA GLU 26 HA GLU 26 -12.014 3.930 -4.689 190 HB2 GLU 26 1HB GLU 26 -9.379 4.352 -6.128 191 HB3 GLU 26 2HB GLU 26 -10.492 3.068 -6.594 192 HG2 GLU 26 1HG GLU 26 -11.219 6.037 -6.475 193 HG3 GLU 26 2HG GLU 26 -10.657 5.205 -7.920 194 H TYR 27 H TYR 27 -11.815 2.981 -2.585 195 HA TYR 27 HA TYR 27 -9.678 0.960 -2.399 196 HB2 TYR 27 1HB TYR 27 -9.802 1.076 -0.164 197 HB3 TYR 27 2HB TYR 27 -10.245 2.725 -0.566 198 HD1 TYR 27 1HD TYR 27 -11.470 -0.608 0.418 199 HD2 TYR 27 2HD TYR 27 -12.494 3.553 -0.046 200 HE1 TYR 27 1HE TYR 27 -13.407 -0.944 1.936 201 HE2 TYR 27 2HE TYR 27 -14.416 3.270 1.479 202 HH TYR 27 HH TYR 27 -15.844 1.415 2.467 203 H HIS 28 H HIS 28 -9.950 -1.050 -2.618 204 HA HIS 28 HA HIS 28 -12.609 -2.299 -3.092 205 HB2 HIS 28 1HB HIS 28 -10.429 -2.039 -5.211 206 HB3 HIS 28 2HB HIS 28 -11.851 -3.072 -5.337 207 HD1 HIS 28 1HD HIS 28 -14.271 -1.749 -5.443 208 HD2 HIS 28 2HD HIS 28 -10.743 0.528 -5.836 209 HE1 HIS 28 1HE HIS 28 -14.966 0.533 -6.476 210 HE2 HIS 28 2HE HIS 28 -12.829 1.906 -6.728 211 H LYS 29 H LYS 29 -12.313 -3.801 -1.557 212 HA LYS 29 HA LYS 29 -9.961 -5.608 -1.827 213 HB2 LYS 29 1HB LYS 29 -10.217 -6.198 0.531 214 HB3 LYS 29 2HB LYS 29 -9.920 -4.486 0.304 215 HG2 LYS 29 1HG LYS 29 -11.493 -4.611 2.016 216 HG3 LYS 29 2HG LYS 29 -12.409 -4.061 0.616 217 HD2 LYS 29 1HD LYS 29 -13.361 -6.333 0.324 218 HD3 LYS 29 2HD LYS 29 -12.325 -6.950 1.637 219 HE2 LYS 29 1HE LYS 29 -13.415 -5.370 3.213 220 HE3 LYS 29 2HE LYS 29 -14.395 -4.717 1.887 221 HZ1 LYS 29 3HZ LYS 29 -14.492 -7.504 2.909 222 HZ2 LYS 29 1HZ LYS 29 -15.670 -6.351 3.098 223 HZ3 LYS 29 2HZ LYS 29 -15.335 -6.962 1.595 224 H GLY 30 H GLY 30 -10.373 -7.858 -1.136 225 HA2 GLY 30 1HA GLY 30 -11.564 -9.859 -1.253 226 HA3 GLY 30 2HA GLY 30 -13.076 -8.957 -1.466 227 H LEU 31 H LEU 31 -10.068 -8.817 -3.374 228 HA LEU 31 HA LEU 31 -11.379 -10.049 -5.703 229 HB2 LEU 31 1HB LEU 31 -10.820 -8.145 -7.164 230 HB3 LEU 31 2HB LEU 31 -12.045 -7.802 -5.985 231 HG LEU 31 HG LEU 31 -10.500 -6.474 -4.627 232 HD11 LEU 31 1HD1 LEU 31 -8.415 -7.059 -6.782 233 HD12 LEU 31 2HD1 LEU 31 -8.312 -5.803 -5.547 234 HD13 LEU 31 3HD1 LEU 31 -8.315 -7.482 -5.045 235 HD21 LEU 31 3HD2 LEU 31 -11.791 -5.437 -6.475 236 HD22 LEU 31 1HD2 LEU 31 -10.232 -4.618 -6.222 237 HD23 LEU 31 2HD2 LEU 31 -10.437 -5.733 -7.586 238 H SER 32 H SER 32 -9.376 -9.572 -7.627 239 HA SER 32 HA SER 32 -6.961 -10.730 -6.311 240 HB2 SER 32 1HB SER 32 -6.954 -12.534 -7.741 241 HB3 SER 32 2HB SER 32 -8.643 -12.406 -7.280 242 HG SER 32 HG SER 32 -9.257 -11.747 -9.279 243 H LEU 33 H LEU 33 -5.201 -11.062 -8.140 244 HA LEU 33 HA LEU 33 -4.367 -8.400 -8.706 245 HB2 LEU 33 1HB LEU 33 -3.372 -11.091 -9.756 246 HB3 LEU 33 2HB LEU 33 -2.522 -9.576 -10.020 247 HG LEU 33 HG LEU 33 -3.112 -10.802 -7.293 248 HD11 LEU 33 1HD1 LEU 33 -1.424 -12.047 -8.645 249 HD12 LEU 33 2HD1 LEU 33 -0.496 -10.545 -8.849 250 HD13 LEU 33 3HD1 LEU 33 -0.696 -11.258 -7.225 251 HD21 LEU 33 3HD2 LEU 33 -2.816 -8.170 -7.455 252 HD22 LEU 33 1HD2 LEU 33 -1.881 -9.087 -6.279 253 HD23 LEU 33 2HD2 LEU 33 -1.128 -8.570 -7.812 254 H SER 34 H SER 34 -5.913 -10.760 -10.866 255 HA SER 34 HA SER 34 -5.729 -9.124 -13.199 256 HB2 SER 34 1HB SER 34 -7.643 -11.354 -12.400 257 HB3 SER 34 2HB SER 34 -7.457 -10.688 -14.040 258 HG SER 34 HG SER 34 -6.126 -12.630 -13.446 259 H ASP 35 H ASP 35 -7.776 -8.870 -10.392 260 HA ASP 35 HA ASP 35 -9.877 -7.288 -11.778 261 HB2 ASP 35 1HB ASP 35 -9.448 -7.996 -8.859 262 HB3 ASP 35 2HB ASP 35 -10.876 -7.206 -9.525 263 H PHE 36 H PHE 36 -7.128 -6.944 -9.538 264 HA PHE 36 HA PHE 36 -7.256 -4.098 -9.162 265 HB2 PHE 36 1HB PHE 36 -5.758 -5.301 -7.774 266 HB3 PHE 36 2HB PHE 36 -5.045 -6.158 -9.131 267 HD1 PHE 36 2HD PHE 36 -5.588 -2.563 -8.165 268 HD2 PHE 36 1HD PHE 36 -2.910 -5.512 -9.823 269 HE1 PHE 36 2HE PHE 36 -3.931 -0.801 -8.615 270 HE2 PHE 36 1HE PHE 36 -1.203 -3.754 -10.194 271 HZ PHE 36 HZ PHE 36 -1.713 -1.391 -9.602 272 H GLU 37 H GLU 37 -5.682 -6.072 -11.769 273 HA GLU 37 HA GLU 37 -4.666 -3.926 -13.288 274 HB2 GLU 37 1HB GLU 37 -5.667 -6.706 -13.969 275 HB3 GLU 37 2HB GLU 37 -5.080 -5.611 -15.227 276 HG2 GLU 37 1HG GLU 37 -2.921 -5.343 -14.106 277 HG3 GLU 37 2HG GLU 37 -3.465 -6.306 -12.732 278 H VAL 38 H VAL 38 -8.008 -5.087 -13.126 279 HA VAL 38 HA VAL 38 -8.965 -3.496 -15.363 280 HB VAL 38 HB VAL 38 -10.470 -4.661 -12.978 281 HG11 VAL 38 1HG1 VAL 38 -11.785 -2.820 -13.954 282 HG12 VAL 38 2HG1 VAL 38 -11.523 -3.499 -15.584 283 HG13 VAL 38 3HG1 VAL 38 -12.486 -4.385 -14.380 284 HG21 VAL 38 3HG2 VAL 38 -11.174 -6.387 -14.600 285 HG22 VAL 38 1HG2 VAL 38 -10.178 -5.610 -15.867 286 HG23 VAL 38 2HG2 VAL 38 -9.419 -6.360 -14.461 287 H LEU 39 H LEU 39 -8.892 -2.988 -11.822 288 HA LEU 39 HA LEU 39 -10.094 -0.395 -11.800 289 HB2 LEU 39 1HB LEU 39 -9.852 -1.862 -9.832 290 HB3 LEU 39 2HB LEU 39 -8.102 -1.745 -9.936 291 HG LEU 39 HG LEU 39 -8.222 0.685 -9.459 292 HD11 LEU 39 1HD1 LEU 39 -10.559 1.182 -10.203 293 HD12 LEU 39 2HD1 LEU 39 -11.175 0.124 -8.913 294 HD13 LEU 39 3HD1 LEU 39 -10.312 1.634 -8.514 295 HD21 LEU 39 3HD2 LEU 39 -9.614 -1.129 -7.454 296 HD22 LEU 39 1HD2 LEU 39 -7.880 -0.992 -7.755 297 HD23 LEU 39 2HD2 LEU 39 -8.753 0.398 -7.074 298 H TYR 40 H TYR 40 -6.641 -1.362 -11.869 299 HA TYR 40 HA TYR 40 -5.528 1.255 -12.077 300 HB2 TYR 40 1HB TYR 40 -4.236 -0.703 -11.482 301 HB3 TYR 40 2HB TYR 40 -4.589 -1.473 -13.019 302 HD1 TYR 40 1HD TYR 40 -3.028 1.657 -11.617 303 HD2 TYR 40 2HD TYR 40 -3.020 -1.299 -14.762 304 HE1 TYR 40 1HE TYR 40 -0.968 2.674 -12.574 305 HE2 TYR 40 2HE TYR 40 -0.949 -0.292 -15.710 306 HH TYR 40 HH TYR 40 0.587 1.373 -15.630 307 H GLY 41 H GLY 41 -6.533 -1.070 -14.671 308 HA2 GLY 41 1HA GLY 41 -5.783 0.585 -16.850 309 HA3 GLY 41 2HA GLY 41 -6.904 -0.780 -16.901 310 H ASN 42 H ASN 42 -8.664 0.835 -14.844 311 HA ASN 42 HA ASN 42 -10.035 2.479 -16.928 312 HB2 ASN 42 1HB ASN 42 -10.941 0.859 -14.523 313 HB3 ASN 42 2HB ASN 42 -11.960 2.098 -15.227 314 HD21 ASN 42 1HD2 ASN 42 -10.458 -1.037 -15.811 315 HD22 ASN 42 2HD2 ASN 42 -11.423 -1.344 -17.293 316 H THR 43 H THR 43 -8.784 2.663 -13.628 317 HA THR 43 HA THR 43 -10.117 5.296 -13.293 318 HB THR 43 HB THR 43 -9.359 3.261 -11.180 319 HG1 THR 43 1HG THR 43 -11.981 3.460 -12.038 320 HG21 THR 43 3HG2 THR 43 -11.287 4.286 -9.969 321 HG22 THR 43 1HG2 THR 43 -9.982 5.441 -10.263 322 HG23 THR 43 2HG2 THR 43 -11.442 5.495 -11.272 323 H ALA 44 H ALA 44 -6.941 3.939 -13.343 324 HA ALA 44 HA ALA 44 -5.718 5.664 -11.388 325 HB1 ALA 44 3HB ALA 44 -4.852 3.453 -12.065 326 HB2 ALA 44 1HB ALA 44 -4.503 4.096 -13.691 327 HB3 ALA 44 2HB ALA 44 -3.640 4.727 -12.278 328 H ASP 45 H ASP 45 -7.306 7.187 -13.297 329 HA ASP 45 HA ASP 45 -5.700 8.501 -15.260 330 HB2 ASP 45 1HB ASP 45 -8.154 8.354 -15.371 331 HB3 ASP 45 2HB ASP 45 -8.291 9.363 -13.929 332 H GLU 46 H GLU 46 -3.997 9.673 -14.827 333 HA GLU 46 HA GLU 46 -2.451 10.977 -13.812 334 HB2 GLU 46 1HB GLU 46 -4.806 12.715 -13.007 335 HB3 GLU 46 2HB GLU 46 -3.119 13.206 -13.163 336 HG2 GLU 46 1HG GLU 46 -4.947 12.299 -15.435 337 HG3 GLU 46 2HG GLU 46 -4.439 13.949 -15.083 338 H ILE 47 H ILE 47 -3.064 8.839 -12.332 339 HA ILE 47 HA ILE 47 -3.913 9.136 -9.782 340 HB ILE 47 HB ILE 47 -3.606 7.075 -11.023 341 HG12 ILE 47 1HG1 ILE 47 -2.339 7.082 -8.300 342 HG13 ILE 47 2HG1 ILE 47 -4.055 6.968 -8.659 343 HG21 ILE 47 1HG2 ILE 47 -1.059 7.837 -11.625 344 HG22 ILE 47 2HG2 ILE 47 -0.742 6.728 -10.277 345 HG23 ILE 47 3HG2 ILE 47 -1.661 6.173 -11.717 346 HD11 ILE 47 3HD1 ILE 47 -2.136 4.998 -8.067 347 HD12 ILE 47 1HD1 ILE 47 -3.802 4.671 -8.763 348 HD13 ILE 47 2HD1 ILE 47 -2.458 4.801 -9.860 349 H ILE 48 H ILE 48 -2.969 8.825 -7.753 350 HA ILE 48 HA ILE 48 -0.655 10.585 -7.194 351 HB ILE 48 HB ILE 48 -3.248 10.265 -5.633 352 HG12 ILE 48 1HG1 ILE 48 -3.789 11.527 -7.595 353 HG13 ILE 48 2HG1 ILE 48 -3.768 12.589 -6.205 354 HG21 ILE 48 1HG2 ILE 48 -1.387 10.702 -4.137 355 HG22 ILE 48 2HG2 ILE 48 -0.826 12.038 -5.172 356 HG23 ILE 48 3HG2 ILE 48 -2.361 12.171 -4.274 357 HD11 ILE 48 3HD1 ILE 48 -2.282 13.952 -7.187 358 HD12 ILE 48 1HD1 ILE 48 -1.142 12.624 -7.505 359 HD13 ILE 48 2HD1 ILE 48 -2.444 12.958 -8.668 360 H LYS 49 H LYS 49 -2.792 8.124 -5.552 361 HA LYS 49 HA LYS 49 -0.310 6.593 -4.964 362 HB2 LYS 49 1HB LYS 49 -2.415 7.440 -2.949 363 HB3 LYS 49 2HB LYS 49 -1.408 6.017 -2.705 364 HG2 LYS 49 1HG LYS 49 0.619 7.347 -2.812 365 HG3 LYS 49 2HG LYS 49 -0.326 8.829 -3.097 366 HD2 LYS 49 1HD LYS 49 -1.364 8.703 -0.927 367 HD3 LYS 49 2HD LYS 49 -0.834 7.032 -0.688 368 HE2 LYS 49 1HE LYS 49 0.534 8.483 0.673 369 HE3 LYS 49 2HE LYS 49 1.507 7.726 -0.599 370 HZ1 LYS 49 3HZ LYS 49 0.499 10.516 -0.705 371 HZ2 LYS 49 1HZ LYS 49 2.051 10.017 -0.365 372 HZ3 LYS 49 2HZ LYS 49 1.449 9.771 -1.854 373 H LEU 50 H LEU 50 -0.512 4.504 -4.596 374 HA LEU 50 HA LEU 50 -3.105 3.163 -4.759 375 HB2 LEU 50 1HB LEU 50 -3.003 2.767 -6.927 376 HB3 LEU 50 2HB LEU 50 -1.443 3.523 -7.054 377 HG LEU 50 HG LEU 50 -0.290 1.373 -6.610 378 HD11 LEU 50 1HD1 LEU 50 -3.084 0.214 -6.939 379 HD12 LEU 50 2HD1 LEU 50 -1.550 -0.716 -6.782 380 HD13 LEU 50 3HD1 LEU 50 -2.220 0.159 -5.418 381 HD21 LEU 50 3HD2 LEU 50 -0.758 0.487 -8.826 382 HD22 LEU 50 1HD2 LEU 50 -2.312 1.368 -8.892 383 HD23 LEU 50 2HD2 LEU 50 -0.772 2.256 -8.933 384 H ARG 51 H ARG 51 -3.192 1.840 -3.181 385 HA ARG 51 HA ARG 51 -0.761 0.410 -2.249 386 HB2 ARG 51 1HB ARG 51 -2.116 1.903 -0.640 387 HB3 ARG 51 2HB ARG 51 -3.395 0.686 -0.810 388 HG2 ARG 51 1HG ARG 51 -1.757 -1.080 -0.069 389 HG3 ARG 51 2HG ARG 51 -0.535 0.178 0.118 390 HD2 ARG 51 1HD ARG 51 -1.521 -0.463 2.276 391 HD3 ARG 51 2HD ARG 51 -1.814 1.237 1.889 392 HE ARG 51 HE ARG 51 -4.065 0.821 2.043 393 HH11 ARG 51 2HH2 ARG 51 -2.668 -2.525 1.526 394 HH12 ARG 51 1HH2 ARG 51 -4.338 -3.075 1.618 395 HH21 ARG 51 1HH1 ARG 51 -6.042 -0.253 1.957 396 HH22 ARG 51 2HH1 ARG 51 -6.034 -1.999 1.792 397 H LEU 52 H LEU 52 -0.734 -1.758 -2.324 398 HA LEU 52 HA LEU 52 -3.256 -3.239 -2.635 399 HB2 LEU 52 1HB LEU 52 -2.357 -3.170 -4.938 400 HB3 LEU 52 2HB LEU 52 -0.797 -3.739 -4.329 401 HG LEU 52 HG LEU 52 -1.777 -5.901 -3.685 402 HD11 LEU 52 1HD1 LEU 52 -4.237 -4.890 -3.685 403 HD12 LEU 52 2HD1 LEU 52 -4.157 -5.303 -5.443 404 HD13 LEU 52 3HD1 LEU 52 -3.918 -6.549 -4.215 405 HD21 LEU 52 3HD2 LEU 52 -1.851 -6.741 -5.941 406 HD22 LEU 52 1HD2 LEU 52 -2.195 -5.109 -6.601 407 HD23 LEU 52 2HD2 LEU 52 -0.617 -5.471 -5.853 408 H ASP 53 H ASP 53 -3.289 -5.064 -1.486 409 HA ASP 53 HA ASP 53 -0.882 -6.094 -0.053 410 HB2 ASP 53 1HB ASP 53 -3.463 -4.937 0.972 411 HB3 ASP 53 2HB ASP 53 -3.024 -6.481 1.658 412 H LYS 54 H LYS 54 -0.764 -8.325 -0.305 413 HA LYS 54 HA LYS 54 -3.315 -9.787 -0.833 414 HB2 LYS 54 1HB LYS 54 -2.134 -11.773 -0.822 415 HB3 LYS 54 2HB LYS 54 -1.012 -10.646 -1.551 416 HG2 LYS 54 1HG LYS 54 0.337 -11.812 -0.091 417 HG3 LYS 54 2HG LYS 54 -0.015 -10.361 0.842 418 HD2 LYS 54 1HD LYS 54 -0.802 -11.675 2.530 419 HD3 LYS 54 2HD LYS 54 -2.090 -12.279 1.471 420 HE2 LYS 54 1HE LYS 54 -0.573 -13.968 0.472 421 HE3 LYS 54 2HE LYS 54 0.761 -13.407 1.497 422 HZ1 LYS 54 3HZ LYS 54 -1.786 -14.250 2.784 423 HZ2 LYS 54 1HZ LYS 54 -0.637 -15.411 2.334 424 HZ3 LYS 54 2HZ LYS 54 -0.409 -14.154 3.455 425 H VAL 55 H VAL 55 -4.384 -10.942 0.722 426 HA VAL 55 HA VAL 55 -4.290 -9.549 3.332 427 HB VAL 55 HB VAL 55 -6.599 -10.126 3.562 428 HG11 VAL 55 1HG1 VAL 55 -6.074 -8.954 0.818 429 HG12 VAL 55 2HG1 VAL 55 -7.500 -8.697 1.835 430 HG13 VAL 55 3HG1 VAL 55 -5.923 -8.073 2.354 431 HG21 VAL 55 3HG2 VAL 55 -6.393 -11.512 0.862 432 HG22 VAL 55 1HG2 VAL 55 -6.764 -12.287 2.420 433 HG23 VAL 55 2HG2 VAL 55 -7.880 -11.095 1.719 434 H LEU 56 H LEU 56 -4.029 -10.420 5.125 435 HA LEU 56 HA LEU 56 -3.100 -11.683 6.671 436 HB2 LEU 56 1HB LEU 56 -5.226 -13.033 6.508 437 HB3 LEU 56 2HB LEU 56 -4.448 -14.081 5.332 438 HG LEU 56 HG LEU 56 -2.742 -14.691 7.121 439 HD11 LEU 56 1HD1 LEU 56 -4.632 -13.071 8.899 440 HD12 LEU 56 2HD1 LEU 56 -3.296 -14.117 9.468 441 HD13 LEU 56 3HD1 LEU 56 -2.927 -12.657 8.561 442 HD21 LEU 56 3HD2 LEU 56 -5.620 -15.352 7.086 443 HD22 LEU 56 1HD2 LEU 56 -4.193 -16.416 7.271 444 HD23 LEU 56 2HD2 LEU 56 -4.916 -15.586 8.681 445 H1 MET 1 1H MET 1 8.722 7.399 5.302 446 H2 MET 1 2H MET 1 7.117 7.327 5.774 447 H3 MET 1 3H MET 1 8.019 8.679 6.116 448 HA MET 1 HA MET 1 7.901 9.516 4.083 449 HB2 MET 1 1HB MET 1 7.482 8.157 2.034 450 HB3 MET 1 2HB MET 1 8.970 7.776 2.882 451 HG2 MET 1 1HG MET 1 8.022 5.759 2.097 452 HG3 MET 1 2HG MET 1 7.886 5.752 3.860 453 HE1 MET 1 3HE MET 1 6.611 3.633 3.299 454 HE2 MET 1 1HE MET 1 4.896 3.578 2.744 455 HE3 MET 1 2HE MET 1 6.222 3.811 1.542 456 H VAL 2 H VAL 2 6.138 10.216 2.775 457 HA VAL 2 HA VAL 2 3.577 8.942 3.122 458 HB VAL 2 HB VAL 2 3.503 10.092 5.218 459 HG11 VAL 2 1HG1 VAL 2 4.658 12.471 3.897 460 HG12 VAL 2 2HG1 VAL 2 3.194 12.818 4.822 461 HG13 VAL 2 3HG1 VAL 2 4.586 11.999 5.582 462 HG21 VAL 2 3HG2 VAL 2 1.399 11.207 4.979 463 HG22 VAL 2 1HG2 VAL 2 1.698 11.508 3.248 464 HG23 VAL 2 2HG2 VAL 2 1.463 9.843 3.851 465 H GLN 3 H GLN 3 4.920 12.174 2.263 466 HA GLN 3 HA GLN 3 4.965 11.646 -0.428 467 HB2 GLN 3 1HB GLN 3 2.402 12.258 0.065 468 HB3 GLN 3 2HB GLN 3 3.002 13.911 0.120 469 HG2 GLN 3 1HG GLN 3 3.806 13.740 -2.187 470 HG3 GLN 3 2HG GLN 3 3.592 11.985 -2.179 471 HE21 GLN 3 1HE2 GLN 3 1.831 11.311 -3.383 472 HE22 GLN 3 2HE2 GLN 3 0.369 12.343 -3.461 473 H ASN 4 H ASN 4 5.700 13.769 -1.595 474 HA ASN 4 HA ASN 4 7.238 15.302 -1.867 475 HB2 ASN 4 1HB ASN 4 5.610 16.622 -0.456 476 HB3 ASN 4 2HB ASN 4 6.689 16.337 0.923 477 HD21 ASN 4 1HD2 ASN 4 6.842 17.433 -2.566 478 HD22 ASN 4 2HD2 ASN 4 8.002 18.726 -2.138 479 H ASP 5 H ASP 5 7.847 12.670 -0.485 480 HA ASP 5 HA ASP 5 9.965 13.089 1.381 481 HB2 ASP 5 1HB ASP 5 9.068 10.667 -0.239 482 HB3 ASP 5 2HB ASP 5 10.263 10.612 1.054 483 H PHE 6 H PHE 6 10.083 11.683 -1.857 484 HA PHE 6 HA PHE 6 12.991 12.341 -2.077 485 HB2 PHE 6 1HB PHE 6 11.707 10.359 -3.907 486 HB3 PHE 6 2HB PHE 6 13.324 10.386 -3.231 487 HD1 PHE 6 2HD PHE 6 13.359 10.086 -0.521 488 HD2 PHE 6 1HD PHE 6 10.210 8.751 -3.144 489 HE1 PHE 6 2HE PHE 6 12.651 8.413 1.179 490 HE2 PHE 6 1HE PHE 6 9.485 7.104 -1.445 491 HZ PHE 6 HZ PHE 6 10.704 6.923 0.715 492 H VAL 7 H VAL 7 10.440 13.761 -2.835 493 HA VAL 7 HA VAL 7 9.339 14.480 -4.887 494 HB VAL 7 HB VAL 7 9.592 15.905 -3.034 495 HG11 VAL 7 1HG1 VAL 7 11.347 17.547 -2.723 496 HG12 VAL 7 2HG1 VAL 7 12.024 15.920 -2.650 497 HG13 VAL 7 3HG1 VAL 7 12.257 16.907 -4.107 498 HG21 VAL 7 3HG2 VAL 7 9.346 18.051 -4.106 499 HG22 VAL 7 1HG2 VAL 7 10.162 17.475 -5.572 500 HG23 VAL 7 2HG2 VAL 7 8.589 16.797 -5.094 501 H ASP 8 H ASP 8 9.985 13.294 -6.650 502 HA ASP 8 HA ASP 8 11.050 15.119 -8.684 503 HB2 ASP 8 1HB ASP 8 13.115 13.926 -7.892 504 HB3 ASP 8 2HB ASP 8 12.369 12.387 -8.267 505 H SER 9 H SER 9 10.310 11.752 -8.123 506 HA SER 9 HA SER 9 8.330 11.589 -10.386 507 HB2 SER 9 1HB SER 9 10.764 9.891 -9.799 508 HB3 SER 9 2HB SER 9 9.506 9.440 -10.926 509 HG SER 9 HG SER 9 11.337 11.653 -11.166 510 H TYR 10 H TYR 10 7.659 9.019 -10.296 511 HA TYR 10 HA TYR 10 6.064 8.716 -7.870 512 HB2 TYR 10 1HB TYR 10 6.698 6.759 -10.101 513 HB3 TYR 10 2HB TYR 10 5.668 6.415 -8.747 514 HD1 TYR 10 1HD TYR 10 6.010 8.739 -11.684 515 HD2 TYR 10 2HD TYR 10 3.466 7.093 -8.660 516 HE1 TYR 10 1HE TYR 10 4.033 9.578 -12.924 517 HE2 TYR 10 2HE TYR 10 1.431 7.939 -9.893 518 HH TYR 10 HH TYR 10 1.732 9.466 -13.088 519 H ASP 11 H ASP 11 6.497 7.257 -6.194 520 HA ASP 11 HA ASP 11 8.994 5.579 -6.231 521 HB2 ASP 11 1HB ASP 11 8.917 6.835 -4.155 522 HB3 ASP 11 2HB ASP 11 7.196 6.452 -3.944 523 H VAL 12 H VAL 12 8.672 3.420 -5.870 524 HA VAL 12 HA VAL 12 5.917 2.371 -5.564 525 HB VAL 12 HB VAL 12 7.951 0.930 -7.307 526 HG11 VAL 12 1HG1 VAL 12 4.987 0.484 -6.733 527 HG12 VAL 12 2HG1 VAL 12 6.017 -0.489 -7.803 528 HG13 VAL 12 3HG1 VAL 12 6.318 -0.492 -6.072 529 HG21 VAL 12 3HG2 VAL 12 6.480 1.436 -9.204 530 HG22 VAL 12 1HG2 VAL 12 5.545 2.551 -8.162 531 HG23 VAL 12 2HG2 VAL 12 7.237 2.895 -8.558 532 H THR 13 H THR 13 6.275 2.299 -3.371 533 HA THR 13 HA THR 13 8.435 0.704 -2.175 534 HB THR 13 HB THR 13 5.676 1.092 -1.083 535 HG1 THR 13 1HG THR 13 7.288 3.209 -1.656 536 HG21 THR 13 3HG2 THR 13 8.182 1.260 0.546 537 HG22 THR 13 1HG2 THR 13 6.530 0.785 1.009 538 HG23 THR 13 2HG2 THR 13 7.548 -0.331 0.063 539 H MET 14 H MET 14 8.499 -1.556 -2.234 540 HA MET 14 HA MET 14 5.953 -3.029 -2.586 541 HB2 MET 14 1HB MET 14 6.902 -2.625 -4.861 542 HB3 MET 14 2HB MET 14 8.347 -3.535 -4.389 543 HG2 MET 14 1HG MET 14 6.988 -5.525 -3.984 544 HG3 MET 14 2HG MET 14 5.481 -4.624 -4.206 545 HE1 MET 14 3HE MET 14 5.676 -2.997 -6.749 546 HE2 MET 14 1HE MET 14 5.371 -4.145 -8.133 547 HE3 MET 14 2HE MET 14 4.416 -4.211 -6.576 548 H LEU 15 H LEU 15 5.856 -4.982 -1.786 549 HA LEU 15 HA LEU 15 8.230 -6.179 -0.463 550 HB2 LEU 15 1HB LEU 15 6.688 -5.161 1.190 551 HB3 LEU 15 2HB LEU 15 5.349 -6.046 0.415 552 HG LEU 15 HG LEU 15 6.401 -8.208 1.048 553 HD11 LEU 15 1HD1 LEU 15 8.275 -6.496 2.718 554 HD12 LEU 15 2HD1 LEU 15 8.119 -8.273 2.732 555 HD13 LEU 15 3HD1 LEU 15 8.717 -7.467 1.274 556 HD21 LEU 15 3HD2 LEU 15 6.186 -6.648 3.613 557 HD22 LEU 15 1HD2 LEU 15 4.786 -6.620 2.514 558 HD23 LEU 15 2HD2 LEU 15 5.407 -8.182 3.124 559 H LEU 16 H LEU 16 8.752 -7.875 -1.533 560 HA LEU 16 HA LEU 16 6.678 -9.630 -2.771 561 HB2 LEU 16 1HB LEU 16 8.982 -8.360 -3.910 562 HB3 LEU 16 2HB LEU 16 9.452 -10.019 -3.647 563 HG LEU 16 HG LEU 16 8.688 -9.788 -5.847 564 HD11 LEU 16 1HD1 LEU 16 6.472 -11.216 -4.331 565 HD12 LEU 16 2HD1 LEU 16 6.881 -11.434 -6.030 566 HD13 LEU 16 3HD1 LEU 16 8.054 -11.913 -4.800 567 HD21 LEU 16 3HD2 LEU 16 5.865 -9.187 -5.523 568 HD22 LEU 16 1HD2 LEU 16 6.892 -7.854 -4.930 569 HD23 LEU 16 2HD2 LEU 16 7.076 -8.470 -6.601 570 H GLN 17 H GLN 17 7.275 -11.920 -2.771 571 HA GLN 17 HA GLN 17 8.954 -12.754 -0.462 572 HB2 GLN 17 1HB GLN 17 6.517 -13.032 -0.120 573 HB3 GLN 17 2HB GLN 17 6.440 -14.059 -1.559 574 HG2 GLN 17 1HG GLN 17 7.945 -15.689 -0.509 575 HG3 GLN 17 2HG GLN 17 8.208 -14.620 0.876 576 HE21 GLN 17 1HE2 GLN 17 6.055 -16.971 -0.582 577 HE22 GLN 17 2HE2 GLN 17 4.887 -16.941 0.744 578 H ASP 18 H ASP 18 10.678 -13.835 -1.004 579 HA ASP 18 HA ASP 18 11.270 -14.636 -3.709 580 HB2 ASP 18 1HB ASP 18 12.936 -13.858 -2.008 581 HB3 ASP 18 2HB ASP 18 12.584 -15.299 -1.022 582 H ASP 19 H ASP 19 11.942 -16.844 -4.222 583 HA ASP 19 HA ASP 19 9.884 -18.805 -4.011 584 HB2 ASP 19 1HB ASP 19 12.542 -18.397 -5.242 585 HB3 ASP 19 2HB ASP 19 12.384 -20.041 -4.619 586 H ASP 20 H ASP 20 12.845 -18.238 -2.097 587 HA ASP 20 HA ASP 20 12.651 -20.762 -0.640 588 HB2 ASP 20 1HB ASP 20 14.734 -19.392 -1.094 589 HB3 ASP 20 2HB ASP 20 14.103 -18.183 0.027 590 H GLY 21 H GLY 21 10.739 -17.994 -0.607 591 HA2 GLY 21 1HA GLY 21 8.867 -17.637 0.731 592 HA3 GLY 21 2HA GLY 21 9.555 -18.638 2.017 593 H LYS 22 H LYS 22 11.901 -16.466 0.967 594 HA LYS 22 HA LYS 22 11.683 -14.877 3.423 595 HB2 LYS 22 1HB LYS 22 13.653 -14.719 1.104 596 HB3 LYS 22 2HB LYS 22 13.728 -13.768 2.598 597 HG2 LYS 22 1HG LYS 22 13.791 -15.940 3.910 598 HG3 LYS 22 2HG LYS 22 13.939 -16.808 2.365 599 HD2 LYS 22 1HD LYS 22 15.975 -15.474 1.809 600 HD3 LYS 22 2HD LYS 22 15.776 -14.549 3.304 601 HE2 LYS 22 1HE LYS 22 17.439 -16.070 3.859 602 HE3 LYS 22 2HE LYS 22 15.969 -16.765 4.572 603 HZ1 LYS 22 3HZ LYS 22 16.934 -17.575 1.889 604 HZ2 LYS 22 1HZ LYS 22 17.378 -18.396 3.266 605 HZ3 LYS 22 2HZ LYS 22 15.814 -18.336 2.770 606 H GLN 23 H GLN 23 10.545 -13.118 3.629 607 HA GLN 23 HA GLN 23 9.531 -11.658 1.291 608 HB2 GLN 23 1HB GLN 23 9.114 -11.382 4.293 609 HB3 GLN 23 2HB GLN 23 8.419 -10.291 3.082 610 HG2 GLN 23 1HG GLN 23 7.354 -12.195 1.917 611 HG3 GLN 23 2HG GLN 23 7.962 -13.297 3.165 612 HE21 GLN 23 1HE2 GLN 23 5.494 -13.688 3.046 613 HE22 GLN 23 2HE2 GLN 23 4.586 -12.690 4.229 614 H TYR 24 H TYR 24 10.317 -9.802 0.500 615 HA TYR 24 HA TYR 24 12.363 -8.357 2.103 616 HB2 TYR 24 1HB TYR 24 13.876 -8.214 0.288 617 HB3 TYR 24 2HB TYR 24 13.536 -9.898 0.637 618 HD1 TYR 24 2HD TYR 24 12.136 -11.264 -0.949 619 HD2 TYR 24 1HD TYR 24 13.317 -7.205 -1.821 620 HE1 TYR 24 2HE TYR 24 11.711 -11.665 -3.360 621 HE2 TYR 24 1HE TYR 24 12.859 -7.589 -4.239 622 HH TYR 24 HH TYR 24 11.745 -10.752 -5.464 623 H TYR 25 H TYR 25 12.143 -6.341 2.224 624 HA TYR 25 HA TYR 25 9.962 -4.967 0.794 625 HB2 TYR 25 1HB TYR 25 10.185 -5.231 3.344 626 HB3 TYR 25 2HB TYR 25 11.564 -4.157 3.259 627 HD1 TYR 25 2HD TYR 25 11.228 -1.757 2.422 628 HD2 TYR 25 1HD TYR 25 7.960 -4.429 3.325 629 HE1 TYR 25 2HE TYR 25 9.691 0.193 2.702 630 HE2 TYR 25 1HE TYR 25 6.445 -2.512 3.619 631 HH TYR 25 HH TYR 25 6.243 -0.250 3.537 632 H GLU 26 H GLU 26 10.362 -3.387 -0.660 633 HA GLU 26 HA GLU 26 12.984 -1.965 -0.622 634 HB2 GLU 26 1HB GLU 26 11.618 -3.366 -2.978 635 HB3 GLU 26 2HB GLU 26 12.926 -2.190 -3.179 636 HG2 GLU 26 1HG GLU 26 13.190 -4.831 -1.656 637 HG3 GLU 26 2HG GLU 26 13.603 -4.576 -3.356 638 H TYR 27 H TYR 27 12.917 0.095 -1.148 639 HA TYR 27 HA TYR 27 10.424 1.357 -2.189 640 HB2 TYR 27 1HB TYR 27 13.102 2.551 -1.391 641 HB3 TYR 27 2HB TYR 27 11.685 3.440 -1.945 642 HD1 TYR 27 1HD TYR 27 9.643 3.601 -0.592 643 HD2 TYR 27 2HD TYR 27 13.197 1.664 0.897 644 HE1 TYR 27 1HE TYR 27 8.782 3.787 1.732 645 HE2 TYR 27 2HE TYR 27 12.360 1.871 3.224 646 HH TYR 27 HH TYR 27 10.195 2.322 4.487 647 H HIS 28 H HIS 28 10.270 1.862 -4.319 648 HA HIS 28 HA HIS 28 12.740 1.698 -6.006 649 HB2 HIS 28 1HB HIS 28 9.977 0.781 -6.782 650 HB3 HIS 28 2HB HIS 28 11.356 0.903 -7.850 651 HD1 HIS 28 1HD HIS 28 13.395 -0.838 -7.382 652 HD2 HIS 28 2HD HIS 28 9.770 -1.419 -5.321 653 HE1 HIS 28 1HE HIS 28 13.390 -3.312 -6.627 654 HE2 HIS 28 2HE HIS 28 11.164 -3.654 -5.351 655 H LYS 29 H LYS 29 12.926 3.793 -5.352 656 HA LYS 29 HA LYS 29 11.008 5.880 -5.952 657 HB2 LYS 29 1HB LYS 29 13.949 6.020 -5.275 658 HB3 LYS 29 2HB LYS 29 12.817 7.368 -5.161 659 HG2 LYS 29 1HG LYS 29 11.548 6.207 -3.406 660 HG3 LYS 29 2HG LYS 29 12.600 4.793 -3.508 661 HD2 LYS 29 1HD LYS 29 13.604 7.558 -2.765 662 HD3 LYS 29 2HD LYS 29 13.110 6.313 -1.585 663 HE2 LYS 29 1HE LYS 29 14.828 4.756 -2.498 664 HE3 LYS 29 2HE LYS 29 15.285 5.969 -3.710 665 HZ1 LYS 29 3HZ LYS 29 16.816 6.305 -2.041 666 HZ2 LYS 29 1HZ LYS 29 15.679 7.463 -1.668 667 HZ3 LYS 29 2HZ LYS 29 15.724 6.039 -0.809 668 H GLY 30 H GLY 30 11.390 7.682 -7.341 669 HA2 GLY 30 1HA GLY 30 12.285 8.876 -9.122 670 HA3 GLY 30 2HA GLY 30 13.641 7.773 -9.168 671 H LEU 31 H LEU 31 10.227 6.766 -9.481 672 HA LEU 31 HA LEU 31 10.860 5.675 -12.201 673 HB2 LEU 31 1HB LEU 31 9.201 4.568 -9.892 674 HB3 LEU 31 2HB LEU 31 9.177 3.892 -11.495 675 HG LEU 31 HG LEU 31 11.449 3.837 -9.517 676 HD11 LEU 31 1HD1 LEU 31 9.710 2.106 -9.410 677 HD12 LEU 31 2HD1 LEU 31 9.924 1.746 -11.143 678 HD13 LEU 31 3HD1 LEU 31 11.236 1.400 -9.999 679 HD21 LEU 31 3HD2 LEU 31 12.694 2.528 -11.387 680 HD22 LEU 31 1HD2 LEU 31 11.636 3.413 -12.514 681 HD23 LEU 31 2HD2 LEU 31 12.735 4.297 -11.425 682 H SER 32 H SER 32 8.667 4.927 -13.241 683 HA SER 32 HA SER 32 6.518 6.889 -12.741 684 HB2 SER 32 1HB SER 32 6.354 7.571 -14.947 685 HB3 SER 32 2HB SER 32 8.098 7.517 -14.705 686 HG SER 32 HG SER 32 8.241 5.510 -15.712 687 H LEU 33 H LEU 33 4.582 6.172 -14.281 688 HA LEU 33 HA LEU 33 3.692 3.675 -13.199 689 HB2 LEU 33 1HB LEU 33 2.641 5.389 -15.479 690 HB3 LEU 33 2HB LEU 33 1.772 4.016 -14.799 691 HG LEU 33 HG LEU 33 2.609 6.476 -13.180 692 HD11 LEU 33 1HD1 LEU 33 0.947 7.014 -14.940 693 HD12 LEU 33 2HD1 LEU 33 -0.086 5.683 -14.367 694 HD13 LEU 33 3HD1 LEU 33 0.226 7.086 -13.324 695 HD21 LEU 33 3HD2 LEU 33 0.708 4.176 -12.536 696 HD22 LEU 33 1HD2 LEU 33 2.291 4.441 -11.802 697 HD23 LEU 33 2HD2 LEU 33 1.002 5.608 -11.515 698 H SER 34 H SER 34 5.214 4.438 -16.371 699 HA SER 34 HA SER 34 4.797 1.841 -17.511 700 HB2 SER 34 1HB SER 34 7.056 3.835 -17.965 701 HB3 SER 34 2HB SER 34 6.546 2.542 -19.051 702 HG SER 34 HG SER 34 4.420 3.671 -19.077 703 H ASP 35 H ASP 35 7.110 3.065 -15.127 704 HA ASP 35 HA ASP 35 8.916 0.731 -15.388 705 HB2 ASP 35 1HB ASP 35 8.867 3.031 -13.417 706 HB3 ASP 35 2HB ASP 35 10.175 1.862 -13.614 707 H PHE 36 H PHE 36 6.327 1.954 -13.296 708 HA PHE 36 HA PHE 36 6.375 -0.118 -11.302 709 HB2 PHE 36 1HB PHE 36 4.995 1.803 -10.946 710 HB3 PHE 36 2HB PHE 36 4.219 1.634 -12.500 711 HD1 PHE 36 1HD PHE 36 4.718 -0.509 -9.467 712 HD2 PHE 36 2HD PHE 36 2.043 0.809 -12.569 713 HE1 PHE 36 1HE PHE 36 2.918 -1.871 -8.468 714 HE2 PHE 36 2HE PHE 36 0.227 -0.553 -11.586 715 HZ PHE 36 HZ PHE 36 0.655 -1.899 -9.523 716 H GLU 37 H GLU 37 4.758 0.046 -14.535 717 HA GLU 37 HA GLU 37 3.647 -2.561 -14.502 718 HB2 GLU 37 1HB GLU 37 4.560 -0.681 -16.702 719 HB3 GLU 37 2HB GLU 37 3.871 -2.269 -17.059 720 HG2 GLU 37 1HG GLU 37 1.828 -1.745 -15.823 721 HG3 GLU 37 2HG GLU 37 2.501 -0.203 -15.290 722 H VAL 38 H VAL 38 6.988 -1.587 -15.070 723 HA VAL 38 HA VAL 38 7.831 -4.198 -16.074 724 HB VAL 38 HB VAL 38 9.439 -1.915 -14.849 725 HG11 VAL 38 1HG1 VAL 38 10.698 -3.973 -14.519 726 HG12 VAL 38 2HG1 VAL 38 10.356 -4.484 -16.190 727 HG13 VAL 38 3HG1 VAL 38 11.398 -3.076 -15.873 728 HG21 VAL 38 3HG2 VAL 38 10.126 -1.503 -17.170 729 HG22 VAL 38 1HG2 VAL 38 9.121 -2.871 -17.727 730 HG23 VAL 38 2HG2 VAL 38 8.368 -1.421 -17.055 731 H LEU 39 H LEU 39 8.043 -2.580 -12.854 732 HA LEU 39 HA LEU 39 9.179 -4.835 -11.532 733 HB2 LEU 39 1HB LEU 39 9.222 -2.573 -10.609 734 HB3 LEU 39 2HB LEU 39 7.466 -2.555 -10.477 735 HG LEU 39 HG LEU 39 7.575 -4.391 -8.782 736 HD11 LEU 39 1HD1 LEU 39 9.739 -5.443 -9.412 737 HD12 LEU 39 2HD1 LEU 39 10.596 -3.963 -8.929 738 HD13 LEU 39 3HD1 LEU 39 9.732 -4.952 -7.719 739 HD21 LEU 39 3HD2 LEU 39 8.473 -2.933 -6.991 740 HD22 LEU 39 1HD2 LEU 39 9.307 -1.942 -8.221 741 HD23 LEU 39 2HD2 LEU 39 7.538 -1.997 -8.171 742 H TYR 40 H TYR 40 5.747 -3.801 -11.692 743 HA TYR 40 HA TYR 40 4.666 -6.051 -10.290 744 HB2 TYR 40 1HB TYR 40 3.493 -3.922 -10.572 745 HB3 TYR 40 2HB TYR 40 3.467 -4.124 -12.318 746 HD1 TYR 40 2HD TYR 40 2.251 -5.634 -9.112 747 HD2 TYR 40 1HD TYR 40 1.746 -5.368 -13.392 748 HE1 TYR 40 2HE TYR 40 0.128 -6.939 -8.953 749 HE2 TYR 40 1HE TYR 40 -0.363 -6.672 -13.233 750 HH TYR 40 HH TYR 40 -1.804 -7.806 -11.893 751 H GLY 41 H GLY 41 4.956 -5.413 -13.877 752 HA2 GLY 41 1HA GLY 41 3.691 -7.812 -14.671 753 HA3 GLY 41 2HA GLY 41 4.740 -6.791 -15.661 754 H ASN 42 H ASN 42 7.083 -7.269 -13.769 755 HA ASN 42 HA ASN 42 7.859 -9.892 -14.921 756 HB2 ASN 42 1HB ASN 42 9.213 -7.838 -15.257 757 HB3 ASN 42 2HB ASN 42 9.445 -7.713 -13.506 758 HD21 ASN 42 1HD2 ASN 42 11.264 -8.666 -12.687 759 HD22 ASN 42 2HD2 ASN 42 12.140 -9.936 -13.561 760 H THR 43 H THR 43 7.121 -8.496 -11.777 761 HA THR 43 HA THR 43 8.622 -10.713 -10.455 762 HB THR 43 HB THR 43 8.146 -8.077 -9.122 763 HG1 THR 43 1HG THR 43 8.846 -7.236 -10.876 764 HG21 THR 43 3HG2 THR 43 10.392 -8.450 -8.250 765 HG22 THR 43 1HG2 THR 43 9.409 -9.890 -7.950 766 HG23 THR 43 2HG2 THR 43 10.587 -9.892 -9.274 767 H ALA 44 H ALA 44 5.413 -9.456 -10.610 768 HA ALA 44 HA ALA 44 4.694 -9.563 -7.897 769 HB1 ALA 44 3HB ALA 44 2.395 -9.267 -8.795 770 HB2 ALA 44 1HB ALA 44 3.574 -8.218 -9.590 771 HB3 ALA 44 2HB ALA 44 3.000 -9.689 -10.417 772 H ASP 45 H ASP 45 5.845 -12.140 -8.656 773 HA ASP 45 HA ASP 45 3.738 -14.174 -8.370 774 HB2 ASP 45 1HB ASP 45 5.622 -14.517 -9.879 775 HB3 ASP 45 2HB ASP 45 6.772 -14.299 -8.557 776 H GLU 46 H GLU 46 2.853 -14.001 -6.449 777 HA GLU 46 HA GLU 46 2.413 -13.837 -4.238 778 HB2 GLU 46 1HB GLU 46 5.175 -15.011 -3.740 779 HB3 GLU 46 2HB GLU 46 3.980 -14.643 -2.512 780 HG2 GLU 46 1HG GLU 46 3.734 -16.919 -2.896 781 HG3 GLU 46 2HG GLU 46 2.340 -16.154 -3.663 782 H ILE 47 H ILE 47 2.801 -11.610 -5.443 783 HA ILE 47 HA ILE 47 4.342 -9.715 -3.900 784 HB ILE 47 HB ILE 47 3.480 -9.181 -6.062 785 HG12 ILE 47 1HG1 ILE 47 3.771 -7.384 -4.292 786 HG13 ILE 47 2HG1 ILE 47 2.898 -7.001 -5.766 787 HG21 ILE 47 1HG2 ILE 47 1.435 -10.461 -6.228 788 HG22 ILE 47 2HG2 ILE 47 0.651 -9.459 -5.001 789 HG23 ILE 47 3HG2 ILE 47 1.113 -8.762 -6.567 790 HD11 ILE 47 3HD1 ILE 47 0.733 -7.118 -4.583 791 HD12 ILE 47 1HD1 ILE 47 1.564 -7.505 -3.068 792 HD13 ILE 47 2HD1 ILE 47 1.834 -5.946 -3.851 793 H ILE 48 H ILE 48 4.009 -8.893 -1.958 794 HA ILE 48 HA ILE 48 1.745 -9.980 -0.376 795 HB ILE 48 HB ILE 48 4.394 -8.902 0.591 796 HG12 ILE 48 1HG1 ILE 48 4.928 -10.901 -0.652 797 HG13 ILE 48 2HG1 ILE 48 5.099 -11.203 1.061 798 HG21 ILE 48 1HG2 ILE 48 3.771 -10.076 2.716 799 HG22 ILE 48 2HG2 ILE 48 2.686 -8.743 2.302 800 HG23 ILE 48 3HG2 ILE 48 2.171 -10.412 2.019 801 HD11 ILE 48 3HD1 ILE 48 4.066 -13.111 -0.122 802 HD12 ILE 48 1HD1 ILE 48 2.969 -12.454 1.103 803 HD13 ILE 48 2HD1 ILE 48 2.711 -12.096 -0.624 804 H LYS 49 H LYS 49 3.723 -7.030 -0.902 805 HA LYS 49 HA LYS 49 1.276 -5.424 -0.583 806 HB2 LYS 49 1HB LYS 49 3.806 -4.684 0.954 807 HB3 LYS 49 2HB LYS 49 2.337 -3.734 0.838 808 HG2 LYS 49 1HG LYS 49 1.088 -5.569 2.003 809 HG3 LYS 49 2HG LYS 49 2.615 -6.429 2.230 810 HD2 LYS 49 1HD LYS 49 3.548 -4.372 3.366 811 HD3 LYS 49 2HD LYS 49 1.933 -3.636 3.274 812 HE2 LYS 49 1HE LYS 49 2.589 -6.278 4.675 813 HE3 LYS 49 2HE LYS 49 2.510 -4.702 5.481 814 HZ1 LYS 49 3HZ LYS 49 0.324 -5.156 5.727 815 HZ2 LYS 49 1HZ LYS 49 0.094 -4.923 4.083 816 HZ3 LYS 49 2HZ LYS 49 0.364 -6.402 4.601 817 H LEU 50 H LEU 50 1.377 -3.412 -1.588 818 HA LEU 50 HA LEU 50 3.958 -2.350 -2.234 819 HB2 LEU 50 1HB LEU 50 3.827 -2.004 -4.566 820 HB3 LEU 50 2HB LEU 50 3.401 -3.677 -4.312 821 HG LEU 50 HG LEU 50 0.907 -2.593 -4.276 822 HD11 LEU 50 1HD1 LEU 50 0.816 -0.970 -6.233 823 HD12 LEU 50 2HD1 LEU 50 1.466 -0.306 -4.739 824 HD13 LEU 50 3HD1 LEU 50 2.570 -0.776 -6.059 825 HD21 LEU 50 3HD2 LEU 50 0.676 -3.284 -6.636 826 HD22 LEU 50 1HD2 LEU 50 2.439 -3.260 -6.822 827 HD23 LEU 50 2HD2 LEU 50 1.676 -4.455 -5.757 828 H ARG 51 H ARG 51 3.952 -0.153 -2.676 829 HA ARG 51 HA ARG 51 1.479 1.428 -2.357 830 HB2 ARG 51 1HB ARG 51 2.515 0.965 -0.091 831 HB3 ARG 51 2HB ARG 51 3.912 1.901 -0.587 832 HG2 ARG 51 1HG ARG 51 1.066 2.916 -0.386 833 HG3 ARG 51 2HG ARG 51 2.359 3.148 0.790 834 HD2 ARG 51 1HD ARG 51 2.188 4.349 -1.990 835 HD3 ARG 51 2HD ARG 51 2.023 5.180 -0.462 836 HE ARG 51 HE ARG 51 4.572 3.941 -1.492 837 HH11 ARG 51 2HH2 ARG 51 3.162 6.474 0.481 838 HH12 ARG 51 1HH2 ARG 51 4.457 7.601 0.190 839 HH21 ARG 51 1HH1 ARG 51 6.445 5.281 -1.550 840 HH22 ARG 51 2HH1 ARG 51 6.287 6.853 -0.790 841 H LEU 52 H LEU 52 1.614 2.116 -4.383 842 HA LEU 52 HA LEU 52 4.027 3.461 -5.447 843 HB2 LEU 52 1HB LEU 52 2.777 2.058 -6.953 844 HB3 LEU 52 2HB LEU 52 1.260 2.875 -6.568 845 HG LEU 52 HG LEU 52 3.481 4.582 -7.660 846 HD11 LEU 52 1HD1 LEU 52 3.531 2.502 -9.045 847 HD12 LEU 52 2HD1 LEU 52 1.818 2.742 -9.429 848 HD13 LEU 52 3HD1 LEU 52 3.057 3.951 -9.926 849 HD21 LEU 52 3HD2 LEU 52 0.740 4.692 -8.829 850 HD22 LEU 52 1HD2 LEU 52 0.790 5.053 -7.091 851 HD23 LEU 52 2HD2 LEU 52 1.754 6.004 -8.213 852 H ASP 53 H ASP 53 4.223 5.622 -5.549 853 HA ASP 53 HA ASP 53 1.968 7.411 -4.803 854 HB2 ASP 53 1HB ASP 53 3.029 6.832 -2.684 855 HB3 ASP 53 2HB ASP 53 4.618 7.267 -3.319 856 H LYS 54 H LYS 54 1.933 8.979 -6.305 857 HA LYS 54 HA LYS 54 4.296 9.963 -7.756 858 HB2 LYS 54 1HB LYS 54 2.012 10.136 -8.655 859 HB3 LYS 54 2HB LYS 54 1.569 11.101 -7.257 860 HG2 LYS 54 1HG LYS 54 3.210 12.856 -7.924 861 HG3 LYS 54 2HG LYS 54 3.655 11.896 -9.347 862 HD2 LYS 54 1HD LYS 54 0.803 12.796 -8.766 863 HD3 LYS 54 2HD LYS 54 1.950 13.819 -9.647 864 HE2 LYS 54 1HE LYS 54 2.162 12.281 -11.440 865 HE3 LYS 54 2HE LYS 54 1.439 10.956 -10.515 866 HZ1 LYS 54 3HZ LYS 54 -0.661 11.850 -10.662 867 HZ2 LYS 54 1HZ LYS 54 -0.143 13.352 -11.172 868 HZ3 LYS 54 2HZ LYS 54 -0.061 12.046 -12.177 869 H VAL 55 H VAL 55 5.757 10.290 -6.233 870 HA VAL 55 HA VAL 55 5.277 11.243 -3.695 871 HB VAL 55 HB VAL 55 7.345 10.080 -5.305 872 HG11 VAL 55 1HG1 VAL 55 9.426 10.622 -4.362 873 HG12 VAL 55 2HG1 VAL 55 8.700 12.096 -5.008 874 HG13 VAL 55 3HG1 VAL 55 8.676 11.800 -3.242 875 HG21 VAL 55 3HG2 VAL 55 6.331 9.750 -2.612 876 HG22 VAL 55 1HG2 VAL 55 6.973 8.580 -3.782 877 HG23 VAL 55 2HG2 VAL 55 8.066 9.479 -2.676 878 H LEU 56 H LEU 56 5.279 13.020 -5.858 879 HA LEU 56 HA LEU 56 6.887 15.443 -5.417 880 HB2 LEU 56 1HB LEU 56 4.306 15.003 -6.979 881 HB3 LEU 56 2HB LEU 56 5.068 16.568 -6.861 882 HG LEU 56 HG LEU 56 5.589 15.564 -8.968 883 HD11 LEU 56 1HD1 LEU 56 7.980 15.881 -9.007 884 HD12 LEU 56 2HD1 LEU 56 7.281 17.030 -7.849 885 HD13 LEU 56 3HD1 LEU 56 8.112 15.568 -7.268 886 HD21 LEU 56 3HD2 LEU 56 5.531 13.142 -8.330 887 HD22 LEU 56 1HD2 LEU 56 6.923 13.608 -9.317 888 HD23 LEU 56 2HD2 LEU 56 7.131 13.341 -7.578 Start of MODEL 18 1 H1 MET 1 1H MET 1 -15.386 -19.176 5.374 2 H2 MET 1 2H MET 1 -15.004 -18.116 4.189 3 H3 MET 1 3H MET 1 -14.710 -19.711 3.986 4 HA MET 1 HA MET 1 -16.676 -20.080 3.125 5 HB2 MET 1 1HB MET 1 -17.431 -20.313 5.498 6 HB3 MET 1 2HB MET 1 -17.918 -18.610 5.488 7 HG2 MET 1 1HG MET 1 -19.803 -20.117 5.020 8 HG3 MET 1 2HG MET 1 -19.489 -19.062 3.647 9 HE1 MET 1 3HE MET 1 -20.868 -22.570 2.431 10 HE2 MET 1 1HE MET 1 -21.327 -21.276 3.543 11 HE3 MET 1 2HE MET 1 -20.938 -20.902 1.856 12 H VAL 2 H VAL 2 -16.955 -16.764 4.540 13 HA VAL 2 HA VAL 2 -17.348 -15.631 1.856 14 HB VAL 2 HB VAL 2 -19.119 -14.158 2.860 15 HG11 VAL 2 1HG1 VAL 2 -20.960 -15.863 2.721 16 HG12 VAL 2 2HG1 VAL 2 -19.837 -15.849 1.360 17 HG13 VAL 2 3HG1 VAL 2 -19.724 -17.112 2.583 18 HG21 VAL 2 3HG2 VAL 2 -20.332 -14.816 4.835 19 HG22 VAL 2 1HG2 VAL 2 -19.277 -16.214 5.092 20 HG23 VAL 2 2HG2 VAL 2 -18.641 -14.560 5.256 21 H GLN 3 H GLN 3 -17.222 -13.222 2.091 22 HA GLN 3 HA GLN 3 -14.898 -12.269 3.455 23 HB2 GLN 3 1HB GLN 3 -15.865 -11.396 1.335 24 HB3 GLN 3 2HB GLN 3 -17.287 -10.823 2.219 25 HG2 GLN 3 1HG GLN 3 -15.854 -9.328 3.566 26 HG3 GLN 3 2HG GLN 3 -14.414 -9.938 2.731 27 HE21 GLN 3 1HE2 GLN 3 -14.421 -9.563 0.150 28 HE22 GLN 3 2HE2 GLN 3 -15.255 -8.065 -0.261 29 H ASN 4 H ASN 4 -14.965 -12.613 5.638 30 HA ASN 4 HA ASN 4 -17.263 -11.489 7.193 31 HB2 ASN 4 1HB ASN 4 -17.179 -13.963 6.982 32 HB3 ASN 4 2HB ASN 4 -15.573 -13.968 7.713 33 HD21 ASN 4 1HD2 ASN 4 -18.968 -12.847 8.384 34 HD22 ASN 4 2HD2 ASN 4 -18.763 -13.156 10.115 35 H ASP 5 H ASP 5 -13.592 -12.045 7.458 36 HA ASP 5 HA ASP 5 -13.589 -10.109 9.670 37 HB2 ASP 5 1HB ASP 5 -11.899 -11.610 10.567 38 HB3 ASP 5 2HB ASP 5 -13.447 -12.419 10.395 39 H PHE 6 H PHE 6 -13.448 -9.359 7.096 40 HA PHE 6 HA PHE 6 -12.348 -8.235 5.485 41 HB2 PHE 6 1HB PHE 6 -10.988 -7.355 7.563 42 HB3 PHE 6 2HB PHE 6 -9.693 -8.327 6.878 43 HD1 PHE 6 1HD PHE 6 -12.116 -5.572 6.180 44 HD2 PHE 6 2HD PHE 6 -8.432 -7.476 4.997 45 HE1 PHE 6 1HE PHE 6 -11.599 -3.647 4.694 46 HE2 PHE 6 2HE PHE 6 -7.909 -5.538 3.538 47 HZ PHE 6 HZ PHE 6 -9.482 -3.624 3.382 48 H VAL 7 H VAL 7 -11.329 -11.387 6.500 49 HA VAL 7 HA VAL 7 -9.492 -11.687 4.339 50 HB VAL 7 HB VAL 7 -10.401 -13.791 6.291 51 HG11 VAL 7 1HG1 VAL 7 -8.322 -14.939 5.627 52 HG12 VAL 7 2HG1 VAL 7 -9.433 -14.801 4.269 53 HG13 VAL 7 3HG1 VAL 7 -8.027 -13.713 4.376 54 HG21 VAL 7 3HG2 VAL 7 -8.229 -13.300 7.388 55 HG22 VAL 7 1HG2 VAL 7 -7.953 -11.960 6.243 56 HG23 VAL 7 2HG2 VAL 7 -9.281 -11.898 7.420 57 H ASP 8 H ASP 8 -10.366 -11.590 2.365 58 HA ASP 8 HA ASP 8 -11.492 -14.177 1.543 59 HB2 ASP 8 1HB ASP 8 -13.170 -13.322 0.082 60 HB3 ASP 8 2HB ASP 8 -13.441 -12.734 1.715 61 H SER 9 H SER 9 -10.699 -11.096 0.026 62 HA SER 9 HA SER 9 -8.217 -12.256 -1.098 63 HB2 SER 9 1HB SER 9 -10.113 -12.746 -2.757 64 HB3 SER 9 2HB SER 9 -10.085 -11.013 -3.118 65 HG SER 9 HG SER 9 -8.392 -12.955 -3.889 66 H TYR 10 H TYR 10 -7.313 -10.425 -2.749 67 HA TYR 10 HA TYR 10 -5.897 -8.946 -0.840 68 HB2 TYR 10 1HB TYR 10 -6.119 -8.594 -3.845 69 HB3 TYR 10 2HB TYR 10 -5.134 -7.546 -2.878 70 HD1 TYR 10 1HD TYR 10 -5.609 -11.219 -3.644 71 HD2 TYR 10 2HD TYR 10 -2.951 -8.057 -2.403 72 HE1 TYR 10 1HE TYR 10 -3.661 -12.779 -3.798 73 HE2 TYR 10 2HE TYR 10 -1.013 -9.588 -2.645 74 HH TYR 10 HH TYR 10 -0.303 -11.768 -2.990 75 H ASP 11 H ASP 11 -5.674 -6.760 -0.259 76 HA ASP 11 HA ASP 11 -7.953 -4.920 -0.717 77 HB2 ASP 11 1HB ASP 11 -7.029 -5.166 1.555 78 HB3 ASP 11 2HB ASP 11 -5.446 -4.696 0.953 79 H VAL 12 H VAL 12 -7.791 -3.255 -2.122 80 HA VAL 12 HA VAL 12 -5.129 -2.175 -2.795 81 HB VAL 12 HB VAL 12 -7.317 -2.339 -4.894 82 HG11 VAL 12 1HG1 VAL 12 -4.332 -1.690 -5.058 83 HG12 VAL 12 2HG1 VAL 12 -5.515 -1.549 -6.350 84 HG13 VAL 12 3HG1 VAL 12 -5.607 -0.461 -4.980 85 HG21 VAL 12 3HG2 VAL 12 -6.528 -4.633 -4.539 86 HG22 VAL 12 1HG2 VAL 12 -5.886 -3.995 -6.055 87 HG23 VAL 12 2HG2 VAL 12 -4.845 -4.086 -4.613 88 H THR 13 H THR 13 -5.461 -0.717 -1.169 89 HA THR 13 HA THR 13 -7.838 1.046 -1.140 90 HB THR 13 HB THR 13 -5.243 1.202 0.443 91 HG1 THR 13 1HG THR 13 -6.165 -0.268 1.735 92 HG21 THR 13 3HG2 THR 13 -7.964 2.533 0.825 93 HG22 THR 13 1HG2 THR 13 -6.612 2.594 1.969 94 HG23 THR 13 2HG2 THR 13 -6.453 3.362 0.380 95 H MET 14 H MET 14 -8.016 2.780 -2.547 96 HA MET 14 HA MET 14 -5.493 3.861 -3.747 97 HB2 MET 14 1HB MET 14 -6.518 2.190 -5.254 98 HB3 MET 14 2HB MET 14 -8.034 3.077 -5.215 99 HG2 MET 14 1HG MET 14 -7.391 4.451 -6.902 100 HG3 MET 14 2HG MET 14 -5.979 4.916 -5.911 101 HE1 MET 14 3HE MET 14 -4.925 1.925 -9.042 102 HE2 MET 14 1HE MET 14 -6.216 1.385 -7.923 103 HE3 MET 14 2HE MET 14 -6.554 2.527 -9.159 104 H LEU 15 H LEU 15 -5.578 6.010 -4.479 105 HA LEU 15 HA LEU 15 -8.169 7.349 -4.360 106 HB2 LEU 15 1HB LEU 15 -7.268 9.394 -3.345 107 HB3 LEU 15 2HB LEU 15 -7.192 7.998 -2.286 108 HG LEU 15 HG LEU 15 -4.692 7.818 -3.309 109 HD11 LEU 15 1HD1 LEU 15 -3.700 10.033 -3.465 110 HD12 LEU 15 2HD1 LEU 15 -4.953 9.858 -4.707 111 HD13 LEU 15 3HD1 LEU 15 -5.280 10.803 -3.245 112 HD21 LEU 15 3HD2 LEU 15 -5.640 9.620 -1.048 113 HD22 LEU 15 1HD2 LEU 15 -5.220 7.890 -0.945 114 HD23 LEU 15 2HD2 LEU 15 -3.963 9.090 -1.277 115 H LEU 16 H LEU 16 -8.500 8.917 -5.825 116 HA LEU 16 HA LEU 16 -6.599 9.257 -8.069 117 HB2 LEU 16 1HB LEU 16 -8.475 7.138 -7.988 118 HB3 LEU 16 2HB LEU 16 -9.344 8.381 -8.850 119 HG LEU 16 HG LEU 16 -8.308 6.927 -10.408 120 HD11 LEU 16 1HD1 LEU 16 -8.227 9.342 -11.011 121 HD12 LEU 16 2HD1 LEU 16 -6.529 9.377 -10.451 122 HD13 LEU 16 3HD1 LEU 16 -7.004 8.342 -11.803 123 HD21 LEU 16 3HD2 LEU 16 -5.840 6.609 -10.510 124 HD22 LEU 16 1HD2 LEU 16 -5.712 7.380 -8.917 125 HD23 LEU 16 2HD2 LEU 16 -6.618 5.876 -9.094 126 H GLN 17 H GLN 17 -7.277 10.939 -9.543 127 HA GLN 17 HA GLN 17 -8.749 13.065 -8.316 128 HB2 GLN 17 1HB GLN 17 -6.831 13.190 -10.038 129 HB3 GLN 17 2HB GLN 17 -8.072 12.914 -11.261 130 HG2 GLN 17 1HG GLN 17 -9.314 14.899 -10.391 131 HG3 GLN 17 2HG GLN 17 -8.032 15.161 -9.202 132 HE21 GLN 17 1HE2 GLN 17 -6.017 16.171 -9.941 133 HE22 GLN 17 2HE2 GLN 17 -5.870 16.645 -11.623 134 H ASP 18 H ASP 18 -10.825 13.407 -8.242 135 HA ASP 18 HA ASP 18 -12.880 12.006 -9.738 136 HB2 ASP 18 1HB ASP 18 -13.094 12.839 -7.367 137 HB3 ASP 18 2HB ASP 18 -12.946 14.494 -7.967 138 H ASP 19 H ASP 19 -14.545 13.253 -10.946 139 HA ASP 19 HA ASP 19 -13.641 14.834 -13.133 140 HB2 ASP 19 1HB ASP 19 -15.706 13.473 -13.038 141 HB3 ASP 19 2HB ASP 19 -16.393 14.592 -11.857 142 H ASP 20 H ASP 20 -14.809 15.813 -9.876 143 HA ASP 20 HA ASP 20 -14.899 18.650 -10.472 144 HB2 ASP 20 1HB ASP 20 -16.144 17.379 -8.651 145 HB3 ASP 20 2HB ASP 20 -14.608 17.270 -7.779 146 H GLY 21 H GLY 21 -12.243 16.633 -10.351 147 HA2 GLY 21 1HA GLY 21 -10.050 17.211 -10.613 148 HA3 GLY 21 2HA GLY 21 -10.379 18.863 -10.084 149 H LYS 22 H LYS 22 -11.618 16.745 -7.791 150 HA LYS 22 HA LYS 22 -9.283 17.167 -5.978 151 HB2 LYS 22 1HB LYS 22 -12.217 16.485 -5.503 152 HB3 LYS 22 2HB LYS 22 -11.000 16.220 -4.259 153 HG2 LYS 22 1HG LYS 22 -11.307 18.307 -3.589 154 HG3 LYS 22 2HG LYS 22 -10.372 18.798 -4.981 155 HD2 LYS 22 1HD LYS 22 -12.433 19.019 -6.339 156 HD3 LYS 22 2HD LYS 22 -13.423 18.453 -4.992 157 HE2 LYS 22 1HE LYS 22 -13.100 20.344 -3.696 158 HE3 LYS 22 2HE LYS 22 -11.670 20.883 -4.590 159 HZ1 LYS 22 3HZ LYS 22 -12.999 21.539 -6.370 160 HZ2 LYS 22 1HZ LYS 22 -14.250 20.605 -5.946 161 HZ3 LYS 22 2HZ LYS 22 -13.953 21.982 -5.082 162 H GLN 23 H GLN 23 -8.326 15.521 -4.827 163 HA GLN 23 HA GLN 23 -8.337 12.833 -6.009 164 HB2 GLN 23 1HB GLN 23 -6.894 14.082 -3.639 165 HB3 GLN 23 2HB GLN 23 -6.740 12.388 -4.099 166 HG2 GLN 23 1HG GLN 23 -6.049 14.752 -5.901 167 HG3 GLN 23 2HG GLN 23 -4.889 13.802 -4.971 168 HE21 GLN 23 1HE2 GLN 23 -5.092 14.145 -8.012 169 HE22 GLN 23 2HE2 GLN 23 -5.173 12.452 -8.524 170 H TYR 24 H TYR 24 -9.948 11.461 -5.541 171 HA TYR 24 HA TYR 24 -11.152 11.581 -2.810 172 HB2 TYR 24 1HB TYR 24 -13.168 10.872 -3.559 173 HB3 TYR 24 2HB TYR 24 -12.680 11.996 -4.810 174 HD1 TYR 24 2HD TYR 24 -11.778 11.038 -7.028 175 HD2 TYR 24 1HD TYR 24 -13.662 8.593 -4.010 176 HE1 TYR 24 2HE TYR 24 -12.193 9.263 -8.722 177 HE2 TYR 24 1HE TYR 24 -14.084 6.829 -5.699 178 HH TYR 24 HH TYR 24 -13.789 6.181 -7.822 179 H TYR 25 H TYR 25 -11.243 9.822 -1.615 180 HA TYR 25 HA TYR 25 -9.294 7.669 -2.161 181 HB2 TYR 25 1HB TYR 25 -9.048 9.155 -0.207 182 HB3 TYR 25 2HB TYR 25 -10.674 8.763 0.320 183 HD1 TYR 25 1HD TYR 25 -11.207 6.551 1.296 184 HD2 TYR 25 2HD TYR 25 -7.189 7.695 0.257 185 HE1 TYR 25 1HE TYR 25 -10.305 4.892 2.928 186 HE2 TYR 25 2HE TYR 25 -6.286 6.029 1.873 187 HH TYR 25 HH TYR 25 -6.819 4.566 3.550 188 H GLU 26 H GLU 26 -9.845 5.556 -2.313 189 HA GLU 26 HA GLU 26 -12.532 4.658 -1.512 190 HB2 GLU 26 1HB GLU 26 -12.677 5.627 -3.823 191 HB3 GLU 26 2HB GLU 26 -11.550 4.383 -4.381 192 HG2 GLU 26 1HG GLU 26 -13.136 2.631 -3.842 193 HG3 GLU 26 2HG GLU 26 -14.163 3.757 -2.943 194 H TYR 27 H TYR 27 -12.412 2.739 -0.594 195 HA TYR 27 HA TYR 27 -10.105 0.976 -0.752 196 HB2 TYR 27 1HB TYR 27 -12.931 0.434 0.241 197 HB3 TYR 27 2HB TYR 27 -11.511 -0.559 0.535 198 HD1 TYR 27 1HD TYR 27 -9.527 0.508 1.843 199 HD2 TYR 27 2HD TYR 27 -13.534 2.122 1.778 200 HE1 TYR 27 1HE TYR 27 -9.073 1.723 3.957 201 HE2 TYR 27 2HE TYR 27 -13.076 3.323 3.920 202 HH TYR 27 HH TYR 27 -9.908 3.174 5.521 203 H HIS 28 H HIS 28 -9.762 -0.616 -2.248 204 HA HIS 28 HA HIS 28 -12.128 -1.867 -3.575 205 HB2 HIS 28 1HB HIS 28 -9.456 -1.294 -4.910 206 HB3 HIS 28 2HB HIS 28 -10.811 -2.173 -5.599 207 HD1 HIS 28 1HD HIS 28 -12.971 -0.744 -6.323 208 HD2 HIS 28 2HD HIS 28 -9.617 1.376 -4.895 209 HE1 HIS 28 1HE HIS 28 -13.298 1.727 -7.044 210 HE2 HIS 28 2HE HIS 28 -11.356 3.013 -6.136 211 H LYS 29 H LYS 29 -12.038 -3.313 -1.777 212 HA LYS 29 HA LYS 29 -9.692 -5.157 -1.756 213 HB2 LYS 29 1HB LYS 29 -9.875 -5.396 0.558 214 HB3 LYS 29 2HB LYS 29 -10.018 -3.693 0.224 215 HG2 LYS 29 1HG LYS 29 -11.580 -4.010 1.875 216 HG3 LYS 29 2HG LYS 29 -12.546 -3.912 0.414 217 HD2 LYS 29 1HD LYS 29 -13.313 -5.632 2.045 218 HD3 LYS 29 2HD LYS 29 -12.967 -6.320 0.467 219 HE2 LYS 29 1HE LYS 29 -10.708 -7.052 1.312 220 HE3 LYS 29 2HE LYS 29 -11.116 -6.370 2.891 221 HZ1 LYS 29 3HZ LYS 29 -11.532 -8.674 2.915 222 HZ2 LYS 29 1HZ LYS 29 -13.031 -7.966 2.873 223 HZ3 LYS 29 2HZ LYS 29 -12.361 -8.718 1.547 224 H GLY 30 H GLY 30 -10.130 -7.400 -1.176 225 HA2 GLY 30 1HA GLY 30 -11.373 -9.385 -1.290 226 HA3 GLY 30 2HA GLY 30 -12.870 -8.462 -1.435 227 H LEU 31 H LEU 31 -9.938 -8.197 -3.432 228 HA LEU 31 HA LEU 31 -11.172 -9.571 -5.712 229 HB2 LEU 31 1HB LEU 31 -10.749 -7.741 -7.257 230 HB3 LEU 31 2HB LEU 31 -11.887 -7.305 -6.016 231 HG LEU 31 HG LEU 31 -9.931 -6.144 -4.796 232 HD11 LEU 31 1HD1 LEU 31 -8.007 -6.935 -6.050 233 HD12 LEU 31 2HD1 LEU 31 -8.683 -6.268 -7.552 234 HD13 LEU 31 3HD1 LEU 31 -8.176 -5.197 -6.252 235 HD21 LEU 31 3HD2 LEU 31 -10.234 -4.140 -6.103 236 HD22 LEU 31 1HD2 LEU 31 -10.899 -5.078 -7.452 237 HD23 LEU 31 2HD2 LEU 31 -11.763 -5.017 -5.890 238 H SER 32 H SER 32 -9.396 -9.730 -7.553 239 HA SER 32 HA SER 32 -6.924 -10.541 -6.104 240 HB2 SER 32 1HB SER 32 -6.913 -12.466 -7.360 241 HB3 SER 32 2HB SER 32 -8.610 -12.250 -6.935 242 HG SER 32 HG SER 32 -8.373 -10.877 -9.193 243 H LEU 33 H LEU 33 -5.101 -11.063 -7.879 244 HA LEU 33 HA LEU 33 -4.292 -8.420 -8.524 245 HB2 LEU 33 1HB LEU 33 -3.075 -11.155 -8.839 246 HB3 LEU 33 2HB LEU 33 -2.327 -9.795 -9.658 247 HG LEU 33 HG LEU 33 -1.289 -10.247 -7.508 248 HD11 LEU 33 1HD1 LEU 33 -1.292 -7.950 -8.403 249 HD12 LEU 33 2HD1 LEU 33 -2.713 -7.572 -7.425 250 HD13 LEU 33 3HD1 LEU 33 -1.181 -8.013 -6.642 251 HD21 LEU 33 3HD2 LEU 33 -3.208 -11.060 -6.235 252 HD22 LEU 33 1HD2 LEU 33 -2.318 -9.768 -5.420 253 HD23 LEU 33 2HD2 LEU 33 -3.870 -9.400 -6.166 254 H SER 34 H SER 34 -5.864 -10.761 -10.625 255 HA SER 34 HA SER 34 -5.312 -9.274 -13.075 256 HB2 SER 34 1HB SER 34 -7.066 -10.780 -13.966 257 HB3 SER 34 2HB SER 34 -5.743 -11.655 -13.179 258 HG SER 34 HG SER 34 -7.201 -12.454 -11.857 259 H ASP 35 H ASP 35 -7.701 -9.164 -10.466 260 HA ASP 35 HA ASP 35 -9.559 -7.372 -11.854 261 HB2 ASP 35 1HB ASP 35 -9.234 -7.937 -8.895 262 HB3 ASP 35 2HB ASP 35 -10.638 -7.227 -9.657 263 H PHE 36 H PHE 36 -6.833 -7.096 -9.602 264 HA PHE 36 HA PHE 36 -6.817 -4.262 -9.248 265 HB2 PHE 36 1HB PHE 36 -5.438 -5.603 -7.845 266 HB3 PHE 36 2HB PHE 36 -4.662 -6.382 -9.215 267 HD1 PHE 36 2HD PHE 36 -5.258 -2.826 -8.192 268 HD2 PHE 36 1HD PHE 36 -2.433 -5.773 -9.569 269 HE1 PHE 36 2HE PHE 36 -3.519 -1.098 -8.279 270 HE2 PHE 36 1HE PHE 36 -0.664 -4.034 -9.656 271 HZ PHE 36 HZ PHE 36 -1.197 -1.685 -9.012 272 H GLU 37 H GLU 37 -5.297 -6.266 -11.849 273 HA GLU 37 HA GLU 37 -4.188 -4.145 -13.366 274 HB2 GLU 37 1HB GLU 37 -5.178 -6.930 -13.949 275 HB3 GLU 37 2HB GLU 37 -4.933 -5.838 -15.315 276 HG2 GLU 37 1HG GLU 37 -2.631 -5.401 -14.523 277 HG3 GLU 37 2HG GLU 37 -2.870 -6.576 -13.220 278 H VAL 38 H VAL 38 -7.554 -5.292 -13.263 279 HA VAL 38 HA VAL 38 -8.504 -3.547 -15.383 280 HB VAL 38 HB VAL 38 -10.008 -4.936 -13.131 281 HG11 VAL 38 1HG1 VAL 38 -12.025 -4.582 -14.519 282 HG12 VAL 38 2HG1 VAL 38 -11.362 -3.064 -13.916 283 HG13 VAL 38 3HG1 VAL 38 -11.078 -3.548 -15.610 284 HG21 VAL 38 3HG2 VAL 38 -8.861 -6.434 -14.813 285 HG22 VAL 38 1HG2 VAL 38 -10.614 -6.580 -14.783 286 HG23 VAL 38 2HG2 VAL 38 -9.818 -5.660 -16.080 287 H LEU 39 H LEU 39 -8.458 -3.247 -11.799 288 HA LEU 39 HA LEU 39 -9.649 -0.651 -11.672 289 HB2 LEU 39 1HB LEU 39 -9.342 -2.072 -9.708 290 HB3 LEU 39 2HB LEU 39 -7.593 -1.987 -9.880 291 HG LEU 39 HG LEU 39 -7.668 0.466 -9.426 292 HD11 LEU 39 1HD1 LEU 39 -10.604 -0.062 -8.808 293 HD12 LEU 39 2HD1 LEU 39 -9.718 1.421 -8.396 294 HD13 LEU 39 3HD1 LEU 39 -9.967 0.995 -10.087 295 HD21 LEU 39 3HD2 LEU 39 -8.121 0.166 -6.988 296 HD22 LEU 39 1HD2 LEU 39 -8.904 -1.388 -7.357 297 HD23 LEU 39 2HD2 LEU 39 -7.184 -1.162 -7.686 298 H TYR 40 H TYR 40 -6.162 -1.530 -11.806 299 HA TYR 40 HA TYR 40 -5.155 1.125 -11.974 300 HB2 TYR 40 1HB TYR 40 -3.723 -0.679 -11.389 301 HB3 TYR 40 2HB TYR 40 -4.036 -1.521 -12.907 302 HD1 TYR 40 2HD TYR 40 -2.825 1.877 -11.731 303 HD2 TYR 40 1HD TYR 40 -2.406 -1.351 -14.572 304 HE1 TYR 40 2HE TYR 40 -1.001 3.096 -12.867 305 HE2 TYR 40 1HE TYR 40 -0.565 -0.122 -15.692 306 HH TYR 40 HH TYR 40 0.660 1.844 -15.838 307 H GLY 41 H GLY 41 -6.006 -1.178 -14.611 308 HA2 GLY 41 1HA GLY 41 -5.434 0.450 -16.826 309 HA3 GLY 41 2HA GLY 41 -6.601 -0.877 -16.769 310 H ASN 42 H ASN 42 -8.275 0.602 -14.706 311 HA ASN 42 HA ASN 42 -9.747 2.362 -16.583 312 HB2 ASN 42 1HB ASN 42 -10.406 0.878 -14.027 313 HB3 ASN 42 2HB ASN 42 -11.432 2.171 -14.606 314 HD21 ASN 42 1HD2 ASN 42 -10.585 -1.109 -15.103 315 HD22 ASN 42 2HD2 ASN 42 -11.760 -1.342 -16.431 316 H THR 43 H THR 43 -7.354 2.948 -14.334 317 HA THR 43 HA THR 43 -8.359 5.030 -12.731 318 HB THR 43 HB THR 43 -6.011 5.972 -12.768 319 HG1 THR 43 1HG THR 43 -5.328 3.568 -14.128 320 HG21 THR 43 3HG2 THR 43 -6.962 4.128 -11.197 321 HG22 THR 43 1HG2 THR 43 -5.983 3.026 -12.138 322 HG23 THR 43 2HG2 THR 43 -5.208 4.358 -11.279 323 H ALA 44 H ALA 44 -6.733 5.492 -15.828 324 HA ALA 44 HA ALA 44 -6.814 7.043 -17.460 325 HB1 ALA 44 3HB ALA 44 -9.730 7.192 -16.644 326 HB2 ALA 44 1HB ALA 44 -9.049 7.609 -18.228 327 HB3 ALA 44 2HB ALA 44 -8.989 5.934 -17.653 328 H ASP 45 H ASP 45 -7.254 8.316 -14.417 329 HA ASP 45 HA ASP 45 -6.712 11.096 -15.319 330 HB2 ASP 45 1HB ASP 45 -8.728 9.988 -13.364 331 HB3 ASP 45 2HB ASP 45 -7.932 11.492 -12.948 332 H GLU 46 H GLU 46 -6.008 12.341 -13.158 333 HA GLU 46 HA GLU 46 -3.340 11.534 -12.751 334 HB2 GLU 46 1HB GLU 46 -4.151 13.834 -12.775 335 HB3 GLU 46 2HB GLU 46 -4.918 13.603 -11.201 336 HG2 GLU 46 1HG GLU 46 -2.771 13.186 -10.147 337 HG3 GLU 46 2HG GLU 46 -1.955 13.137 -11.704 338 H ILE 47 H ILE 47 -3.397 9.503 -12.074 339 HA ILE 47 HA ILE 47 -4.011 8.513 -9.485 340 HB ILE 47 HB ILE 47 -3.686 6.899 -11.136 341 HG12 ILE 47 1HG1 ILE 47 -1.704 5.529 -10.545 342 HG13 ILE 47 2HG1 ILE 47 -1.055 6.846 -9.583 343 HG21 ILE 47 1HG2 ILE 47 -1.032 8.129 -11.876 344 HG22 ILE 47 2HG2 ILE 47 -1.687 6.620 -12.544 345 HG23 ILE 47 3HG2 ILE 47 -2.514 8.130 -12.860 346 HD11 ILE 47 3HD1 ILE 47 -2.987 6.653 -8.040 347 HD12 ILE 47 1HD1 ILE 47 -3.701 5.430 -9.111 348 HD13 ILE 47 2HD1 ILE 47 -2.181 5.095 -8.262 349 H ILE 48 H ILE 48 -3.197 8.853 -7.637 350 HA ILE 48 HA ILE 48 -0.522 10.086 -7.293 351 HB ILE 48 HB ILE 48 -3.047 10.537 -5.705 352 HG12 ILE 48 1HG1 ILE 48 -3.029 11.810 -7.757 353 HG13 ILE 48 2HG1 ILE 48 -2.892 12.842 -6.344 354 HG21 ILE 48 1HG2 ILE 48 -0.176 11.126 -5.018 355 HG22 ILE 48 2HG2 ILE 48 -1.401 12.307 -4.574 356 HG23 ILE 48 3HG2 ILE 48 -1.515 10.663 -3.976 357 HD11 ILE 48 3HD1 ILE 48 -1.469 13.664 -8.121 358 HD12 ILE 48 1HD1 ILE 48 -0.455 13.108 -6.783 359 HD13 ILE 48 2HD1 ILE 48 -0.639 12.109 -8.248 360 H LYS 49 H LYS 49 -2.948 8.127 -5.343 361 HA LYS 49 HA LYS 49 -0.565 6.581 -4.437 362 HB2 LYS 49 1HB LYS 49 -1.260 8.515 -2.904 363 HB3 LYS 49 2HB LYS 49 -2.668 7.519 -2.502 364 HG2 LYS 49 1HG LYS 49 -1.038 5.669 -1.859 365 HG3 LYS 49 2HG LYS 49 0.265 6.839 -2.058 366 HD2 LYS 49 1HD LYS 49 -2.098 6.999 -0.145 367 HD3 LYS 49 2HD LYS 49 -0.437 6.629 0.301 368 HE2 LYS 49 1HE LYS 49 -1.382 9.284 -0.876 369 HE3 LYS 49 2HE LYS 49 -1.205 8.960 0.850 370 HZ1 LYS 49 3HZ LYS 49 0.988 8.948 -1.160 371 HZ2 LYS 49 1HZ LYS 49 0.748 10.065 -0.006 372 HZ3 LYS 49 2HZ LYS 49 1.177 8.535 0.417 373 H LEU 50 H LEU 50 -0.743 4.565 -4.095 374 HA LEU 50 HA LEU 50 -3.306 3.057 -4.289 375 HB2 LEU 50 1HB LEU 50 -2.288 3.604 -6.486 376 HB3 LEU 50 2HB LEU 50 -0.796 2.848 -5.983 377 HG LEU 50 HG LEU 50 -3.446 1.410 -6.407 378 HD11 LEU 50 1HD1 LEU 50 -2.461 2.391 -8.463 379 HD12 LEU 50 2HD1 LEU 50 -0.914 1.606 -8.106 380 HD13 LEU 50 3HD1 LEU 50 -2.333 0.644 -8.506 381 HD21 LEU 50 3HD2 LEU 50 -2.152 0.041 -4.893 382 HD22 LEU 50 1HD2 LEU 50 -1.926 -0.645 -6.491 383 HD23 LEU 50 2HD2 LEU 50 -0.648 0.359 -5.784 384 H ARG 51 H ARG 51 -3.321 1.673 -2.617 385 HA ARG 51 HA ARG 51 -0.781 0.494 -1.582 386 HB2 ARG 51 1HB ARG 51 -1.974 2.370 -0.243 387 HB3 ARG 51 2HB ARG 51 -3.211 1.197 0.090 388 HG2 ARG 51 1HG ARG 51 -0.265 0.999 0.819 389 HG3 ARG 51 2HG ARG 51 -1.595 1.356 1.917 390 HD2 ARG 51 1HD ARG 51 -1.092 -1.294 0.500 391 HD3 ARG 51 2HD ARG 51 -0.756 -0.941 2.175 392 HE ARG 51 HE ARG 51 -3.430 -1.315 0.911 393 HH11 ARG 51 2HH2 ARG 51 -1.693 -0.708 3.901 394 HH12 ARG 51 1HH2 ARG 51 -3.018 -1.268 4.894 395 HH21 ARG 51 2HH1 ARG 51 -5.093 -1.942 2.205 396 HH22 ARG 51 1HH1 ARG 51 -4.906 -1.998 3.949 397 H LEU 52 H LEU 52 -0.906 -1.381 -2.674 398 HA LEU 52 HA LEU 52 -3.226 -3.171 -2.339 399 HB2 LEU 52 1HB LEU 52 -2.058 -3.056 -4.485 400 HB3 LEU 52 2HB LEU 52 -0.570 -3.575 -3.705 401 HG LEU 52 HG LEU 52 -2.954 -5.387 -3.452 402 HD11 LEU 52 1HD1 LEU 52 -2.536 -6.381 -5.590 403 HD12 LEU 52 2HD1 LEU 52 -2.912 -4.682 -5.849 404 HD13 LEU 52 3HD1 LEU 52 -1.225 -5.227 -5.955 405 HD21 LEU 52 3HD2 LEU 52 -1.175 -7.125 -3.749 406 HD22 LEU 52 1HD2 LEU 52 0.036 -5.841 -3.893 407 HD23 LEU 52 2HD2 LEU 52 -0.836 -6.080 -2.368 408 H ASP 53 H ASP 53 -3.276 -4.817 -0.910 409 HA ASP 53 HA ASP 53 -0.888 -5.712 0.586 410 HB2 ASP 53 1HB ASP 53 -1.598 -3.751 1.820 411 HB3 ASP 53 2HB ASP 53 -3.264 -4.319 1.881 412 H LYS 54 H LYS 54 -0.996 -7.925 0.429 413 HA LYS 54 HA LYS 54 -3.451 -9.327 -0.076 414 HB2 LYS 54 1HB LYS 54 -2.222 -11.312 0.089 415 HB3 LYS 54 2HB LYS 54 -1.076 -10.122 -0.489 416 HG2 LYS 54 1HG LYS 54 0.227 -11.132 0.974 417 HG3 LYS 54 2HG LYS 54 -0.400 -9.856 2.030 418 HD2 LYS 54 1HD LYS 54 -1.923 -11.516 3.069 419 HD3 LYS 54 2HD LYS 54 -1.445 -12.730 1.852 420 HE2 LYS 54 1HE LYS 54 0.921 -12.478 2.612 421 HE3 LYS 54 2HE LYS 54 0.375 -11.351 3.861 422 HZ1 LYS 54 3HZ LYS 54 -0.259 -14.212 3.657 423 HZ2 LYS 54 1HZ LYS 54 0.546 -13.428 4.877 424 HZ3 LYS 54 2HZ LYS 54 -1.049 -13.227 4.676 425 H VAL 55 H VAL 55 -4.770 -10.574 1.124 426 HA VAL 55 HA VAL 55 -5.116 -9.550 3.874 427 HB VAL 55 HB VAL 55 -7.334 -10.545 3.777 428 HG11 VAL 55 1HG1 VAL 55 -8.304 -8.941 2.270 429 HG12 VAL 55 2HG1 VAL 55 -6.917 -8.227 3.109 430 HG13 VAL 55 3HG1 VAL 55 -6.757 -8.741 1.420 431 HG21 VAL 55 3HG2 VAL 55 -6.995 -12.436 2.259 432 HG22 VAL 55 1HG2 VAL 55 -8.307 -11.384 1.719 433 HG23 VAL 55 2HG2 VAL 55 -6.734 -11.316 0.904 434 H LEU 56 H LEU 56 -5.128 -10.700 5.578 435 HA LEU 56 HA LEU 56 -4.251 -12.069 7.132 436 HB2 LEU 56 1HB LEU 56 -6.163 -13.523 6.353 437 HB3 LEU 56 2HB LEU 56 -5.038 -14.348 5.283 438 HG LEU 56 HG LEU 56 -3.736 -15.139 7.256 439 HD11 LEU 56 1HD1 LEU 56 -4.201 -13.384 8.873 440 HD12 LEU 56 2HD1 LEU 56 -5.939 -13.770 8.845 441 HD13 LEU 56 3HD1 LEU 56 -4.764 -14.930 9.510 442 HD21 LEU 56 3HD2 LEU 56 -5.474 -16.715 8.082 443 HD22 LEU 56 1HD2 LEU 56 -6.719 -15.730 7.297 444 HD23 LEU 56 2HD2 LEU 56 -5.474 -16.541 6.324 445 H1 MET 1 1H MET 1 18.420 21.471 -8.008 446 H2 MET 1 2H MET 1 17.273 22.355 -7.262 447 H3 MET 1 3H MET 1 16.988 21.764 -8.763 448 HA MET 1 HA MET 1 15.790 20.383 -7.352 449 HB2 MET 1 1HB MET 1 17.112 19.139 -9.053 450 HB3 MET 1 2HB MET 1 18.436 18.977 -7.893 451 HG2 MET 1 1HG MET 1 17.042 16.955 -7.975 452 HG3 MET 1 2HG MET 1 17.035 17.696 -6.377 453 HE1 MET 1 3HE MET 1 14.953 16.357 -9.252 454 HE2 MET 1 1HE MET 1 13.551 17.440 -9.324 455 HE3 MET 1 2HE MET 1 15.157 18.023 -9.794 456 H VAL 2 H VAL 2 15.299 20.408 -5.263 457 HA VAL 2 HA VAL 2 17.453 20.584 -3.216 458 HB VAL 2 HB VAL 2 14.444 20.867 -2.959 459 HG11 VAL 2 1HG1 VAL 2 16.442 21.944 -0.964 460 HG12 VAL 2 2HG1 VAL 2 14.727 21.594 -0.752 461 HG13 VAL 2 3HG1 VAL 2 15.887 20.286 -0.820 462 HG21 VAL 2 3HG2 VAL 2 15.377 22.708 -4.341 463 HG22 VAL 2 1HG2 VAL 2 14.871 23.301 -2.762 464 HG23 VAL 2 2HG2 VAL 2 16.592 23.031 -3.094 465 H GLN 3 H GLN 3 14.754 18.462 -4.263 466 HA GLN 3 HA GLN 3 14.939 16.632 -2.068 467 HB2 GLN 3 1HB GLN 3 13.587 16.537 -4.786 468 HB3 GLN 3 2HB GLN 3 13.466 15.254 -3.566 469 HG2 GLN 3 1HG GLN 3 12.383 16.660 -1.990 470 HG3 GLN 3 2HG GLN 3 12.793 18.126 -2.883 471 HE21 GLN 3 1HE2 GLN 3 10.951 14.986 -3.639 472 HE22 GLN 3 2HE2 GLN 3 9.560 15.989 -4.117 473 H ASN 4 H ASN 4 17.144 16.216 -1.982 474 HA ASN 4 HA ASN 4 18.593 14.684 -3.946 475 HB2 ASN 4 1HB ASN 4 19.574 16.070 -2.118 476 HB3 ASN 4 2HB ASN 4 18.947 14.931 -0.923 477 HD21 ASN 4 1HD2 ASN 4 20.377 13.283 -0.317 478 HD22 ASN 4 2HD2 ASN 4 21.754 12.860 -1.339 479 H ASP 5 H ASP 5 16.136 13.760 -1.676 480 HA ASP 5 HA ASP 5 16.204 11.023 -2.618 481 HB2 ASP 5 1HB ASP 5 17.520 10.885 -0.514 482 HB3 ASP 5 2HB ASP 5 16.194 11.661 0.369 483 H PHE 6 H PHE 6 14.107 10.046 -2.238 484 HA PHE 6 HA PHE 6 12.003 10.249 -3.221 485 HB2 PHE 6 1HB PHE 6 11.588 11.986 -0.775 486 HB3 PHE 6 2HB PHE 6 10.302 11.450 -1.841 487 HD1 PHE 6 2HD PHE 6 9.576 9.104 -1.949 488 HD2 PHE 6 1HD PHE 6 12.698 10.381 0.743 489 HE1 PHE 6 2HE PHE 6 9.265 7.042 -0.606 490 HE2 PHE 6 1HE PHE 6 12.361 8.336 2.102 491 HZ PHE 6 HZ PHE 6 10.617 6.672 1.440 492 H VAL 7 H VAL 7 13.414 11.395 -4.849 493 HA VAL 7 HA VAL 7 12.813 14.173 -5.412 494 HB VAL 7 HB VAL 7 14.855 12.890 -6.106 495 HG11 VAL 7 1HG1 VAL 7 13.209 11.820 -8.416 496 HG12 VAL 7 2HG1 VAL 7 14.904 11.496 -8.027 497 HG13 VAL 7 3HG1 VAL 7 13.618 10.850 -6.999 498 HG21 VAL 7 3HG2 VAL 7 15.293 14.384 -7.730 499 HG22 VAL 7 1HG2 VAL 7 13.808 14.063 -8.635 500 HG23 VAL 7 2HG2 VAL 7 13.779 15.092 -7.203 501 H ASP 8 H ASP 8 11.487 14.956 -7.161 502 HA ASP 8 HA ASP 8 8.932 13.755 -7.450 503 HB2 ASP 8 1HB ASP 8 9.213 16.094 -7.835 504 HB3 ASP 8 2HB ASP 8 10.380 15.758 -9.145 505 H SER 9 H SER 9 8.081 12.945 -9.061 506 HA SER 9 HA SER 9 8.441 10.966 -10.962 507 HB2 SER 9 1HB SER 9 10.215 10.290 -8.583 508 HB3 SER 9 2HB SER 9 9.647 9.065 -9.713 509 HG SER 9 HG SER 9 11.645 10.752 -9.933 510 H TYR 10 H TYR 10 7.782 8.612 -10.069 511 HA TYR 10 HA TYR 10 5.803 8.748 -7.832 512 HB2 TYR 10 1HB TYR 10 6.299 6.710 -10.048 513 HB3 TYR 10 2HB TYR 10 5.378 6.346 -8.602 514 HD1 TYR 10 2HD TYR 10 5.454 8.613 -11.584 515 HD2 TYR 10 1HD TYR 10 3.134 7.028 -8.313 516 HE1 TYR 10 2HE TYR 10 3.388 9.675 -12.519 517 HE2 TYR 10 1HE TYR 10 1.094 8.087 -9.236 518 HH TYR 10 HH TYR 10 0.278 9.619 -10.749 519 H ASP 11 H ASP 11 6.103 7.105 -6.237 520 HA ASP 11 HA ASP 11 8.755 5.770 -5.920 521 HB2 ASP 11 1HB ASP 11 8.770 7.517 -4.337 522 HB3 ASP 11 2HB ASP 11 7.044 7.350 -3.979 523 H VAL 12 H VAL 12 8.575 3.656 -5.824 524 HA VAL 12 HA VAL 12 5.918 2.398 -5.287 525 HB VAL 12 HB VAL 12 7.944 1.572 -7.387 526 HG11 VAL 12 1HG1 VAL 12 6.685 -0.355 -6.470 527 HG12 VAL 12 2HG1 VAL 12 5.160 0.549 -6.646 528 HG13 VAL 12 3HG1 VAL 12 6.077 0.055 -8.075 529 HG21 VAL 12 3HG2 VAL 12 6.160 2.264 -8.968 530 HG22 VAL 12 1HG2 VAL 12 5.196 2.890 -7.609 531 HG23 VAL 12 2HG2 VAL 12 6.743 3.644 -8.034 532 H THR 13 H THR 13 6.202 1.788 -3.259 533 HA THR 13 HA THR 13 8.537 0.132 -2.476 534 HB THR 13 HB THR 13 6.167 0.870 -0.749 535 HG1 THR 13 1HG THR 13 7.500 2.575 -0.058 536 HG21 THR 13 3HG2 THR 13 7.653 0.388 1.078 537 HG22 THR 13 1HG2 THR 13 7.848 -0.967 -0.039 538 HG23 THR 13 2HG2 THR 13 9.061 0.318 0.010 539 H MET 14 H MET 14 8.348 -1.836 -3.556 540 HA MET 14 HA MET 14 5.733 -3.254 -3.441 541 HB2 MET 14 1HB MET 14 6.814 -2.950 -5.631 542 HB3 MET 14 2HB MET 14 8.242 -3.818 -5.067 543 HG2 MET 14 1HG MET 14 6.881 -5.834 -4.691 544 HG3 MET 14 2HG MET 14 5.430 -4.975 -5.174 545 HE1 MET 14 3HE MET 14 5.599 -4.624 -8.885 546 HE2 MET 14 1HE MET 14 5.067 -3.970 -7.327 547 HE3 MET 14 2HE MET 14 6.585 -3.433 -8.028 548 H LEU 15 H LEU 15 5.628 -5.367 -2.639 549 HA LEU 15 HA LEU 15 7.914 -6.432 -1.094 550 HB2 LEU 15 1HB LEU 15 5.571 -5.059 -0.077 551 HB3 LEU 15 2HB LEU 15 5.555 -6.724 0.501 552 HG LEU 15 HG LEU 15 7.975 -4.886 0.740 553 HD11 LEU 15 1HD1 LEU 15 5.741 -5.476 2.730 554 HD12 LEU 15 2HD1 LEU 15 7.232 -4.581 3.095 555 HD13 LEU 15 3HD1 LEU 15 6.068 -3.913 1.939 556 HD21 LEU 15 3HD2 LEU 15 8.517 -7.272 0.975 557 HD22 LEU 15 1HD2 LEU 15 8.544 -6.530 2.574 558 HD23 LEU 15 2HD2 LEU 15 7.157 -7.510 2.072 559 H LEU 16 H LEU 16 8.202 -8.367 -1.786 560 HA LEU 16 HA LEU 16 5.884 -10.125 -2.498 561 HB2 LEU 16 1HB LEU 16 8.785 -10.501 -3.318 562 HB3 LEU 16 2HB LEU 16 7.394 -11.418 -3.823 563 HG LEU 16 HG LEU 16 7.890 -10.228 -5.652 564 HD11 LEU 16 1HD1 LEU 16 6.179 -8.442 -5.993 565 HD12 LEU 16 2HD1 LEU 16 5.536 -9.969 -5.338 566 HD13 LEU 16 3HD1 LEU 16 5.765 -8.538 -4.297 567 HD21 LEU 16 3HD2 LEU 16 8.754 -8.132 -5.902 568 HD22 LEU 16 1HD2 LEU 16 8.091 -7.517 -4.383 569 HD23 LEU 16 2HD2 LEU 16 9.462 -8.609 -4.368 570 H GLN 17 H GLN 17 6.734 -12.519 -2.190 571 HA GLN 17 HA GLN 17 8.190 -12.780 0.406 572 HB2 GLN 17 1HB GLN 17 5.795 -13.421 0.432 573 HB3 GLN 17 2HB GLN 17 6.143 -14.700 -0.744 574 HG2 GLN 17 1HG GLN 17 7.657 -15.778 0.866 575 HG3 GLN 17 2HG GLN 17 7.477 -14.416 1.986 576 HE21 GLN 17 1HE2 GLN 17 5.392 -14.045 3.011 577 HE22 GLN 17 2HE2 GLN 17 4.305 -15.468 3.155 578 H ASP 18 H ASP 18 9.941 -13.959 0.483 579 HA ASP 18 HA ASP 18 11.287 -14.964 -1.890 580 HB2 ASP 18 1HB ASP 18 12.314 -13.755 0.066 581 HB3 ASP 18 2HB ASP 18 11.944 -15.134 1.078 582 H ASP 19 H ASP 19 12.148 -17.172 -1.971 583 HA ASP 19 HA ASP 19 10.313 -19.300 -1.696 584 HB2 ASP 19 1HB ASP 19 12.246 -19.143 -3.239 585 HB3 ASP 19 2HB ASP 19 13.351 -19.272 -1.870 586 H ASP 20 H ASP 20 12.678 -18.010 0.644 587 HA ASP 20 HA ASP 20 12.489 -20.234 2.504 588 HB2 ASP 20 1HB ASP 20 14.326 -18.462 2.270 589 HB3 ASP 20 2HB ASP 20 13.233 -17.342 3.086 590 H GLY 21 H GLY 21 10.089 -18.086 1.597 591 HA2 GLY 21 1HA GLY 21 7.972 -17.835 2.406 592 HA3 GLY 21 2HA GLY 21 8.395 -18.698 3.891 593 H LYS 22 H LYS 22 10.447 -16.097 3.053 594 HA LYS 22 HA LYS 22 9.285 -14.337 5.186 595 HB2 LYS 22 1HB LYS 22 12.143 -14.649 4.167 596 HB3 LYS 22 2HB LYS 22 11.616 -13.391 5.297 597 HG2 LYS 22 1HG LYS 22 10.855 -15.133 6.893 598 HG3 LYS 22 2HG LYS 22 11.427 -16.395 5.780 599 HD2 LYS 22 1HD LYS 22 13.741 -15.518 5.970 600 HD3 LYS 22 2HD LYS 22 13.160 -14.230 7.045 601 HE2 LYS 22 1HE LYS 22 14.086 -15.950 8.436 602 HE3 LYS 22 2HE LYS 22 12.330 -15.976 8.629 603 HZ1 LYS 22 3HZ LYS 22 13.213 -18.221 8.327 604 HZ2 LYS 22 1HZ LYS 22 12.313 -17.813 7.006 605 HZ3 LYS 22 2HZ LYS 22 13.879 -17.792 6.865 606 H GLN 23 H GLN 23 9.272 -12.071 4.855 607 HA GLN 23 HA GLN 23 8.445 -11.408 2.180 608 HB2 GLN 23 1HB GLN 23 8.499 -10.022 4.826 609 HB3 GLN 23 2HB GLN 23 8.581 -8.984 3.409 610 HG2 GLN 23 1HG GLN 23 6.258 -9.295 3.996 611 HG3 GLN 23 2HG GLN 23 6.577 -10.054 2.443 612 HE21 GLN 23 1HE2 GLN 23 5.814 -10.683 5.880 613 HE22 GLN 23 2HE2 GLN 23 5.411 -12.375 5.574 614 H TYR 24 H TYR 24 9.145 -9.884 0.808 615 HA TYR 24 HA TYR 24 12.097 -9.546 0.586 616 HB2 TYR 24 1HB TYR 24 11.078 -11.602 -0.438 617 HB3 TYR 24 2HB TYR 24 10.110 -10.574 -1.468 618 HD1 TYR 24 2HD TYR 24 11.274 -9.101 -3.191 619 HD2 TYR 24 1HD TYR 24 13.378 -12.076 -0.888 620 HE1 TYR 24 2HE TYR 24 13.058 -9.161 -4.912 621 HE2 TYR 24 1HE TYR 24 15.144 -12.172 -2.630 622 HH TYR 24 HH TYR 24 15.032 -10.103 -5.528 623 H TYR 25 H TYR 25 12.131 -7.415 0.922 624 HA TYR 25 HA TYR 25 10.127 -5.546 -0.006 625 HB2 TYR 25 1HB TYR 25 11.298 -5.593 2.223 626 HB3 TYR 25 2HB TYR 25 12.798 -5.179 1.418 627 HD1 TYR 25 1HD TYR 25 9.418 -3.980 2.354 628 HD2 TYR 25 2HD TYR 25 13.309 -2.901 0.871 629 HE1 TYR 25 1HE TYR 25 8.944 -1.575 2.870 630 HE2 TYR 25 2HE TYR 25 12.858 -0.509 1.427 631 HH TYR 25 HH TYR 25 11.353 0.976 2.299 632 H GLU 26 H GLU 26 10.153 -4.314 -1.798 633 HA GLU 26 HA GLU 26 12.649 -3.962 -3.397 634 HB2 GLU 26 1HB GLU 26 9.951 -5.125 -4.120 635 HB3 GLU 26 2HB GLU 26 10.859 -4.249 -5.338 636 HG2 GLU 26 1HG GLU 26 11.983 -6.605 -3.762 637 HG3 GLU 26 2HG GLU 26 11.181 -6.750 -5.324 638 H TYR 27 H TYR 27 12.730 -1.886 -2.349 639 HA TYR 27 HA TYR 27 10.557 0.009 -2.890 640 HB2 TYR 27 1HB TYR 27 11.612 1.511 -1.507 641 HB3 TYR 27 2HB TYR 27 11.844 -0.042 -0.736 642 HD1 TYR 27 2HD TYR 27 14.188 -1.156 -0.886 643 HD2 TYR 27 1HD TYR 27 13.407 2.888 -2.180 644 HE1 TYR 27 2HE TYR 27 16.615 -0.641 -0.747 645 HE2 TYR 27 1HE TYR 27 15.850 3.396 -2.016 646 HH TYR 27 HH TYR 27 18.262 0.956 -1.395 647 H HIS 28 H HIS 28 10.419 1.308 -4.559 648 HA HIS 28 HA HIS 28 12.809 1.958 -6.226 649 HB2 HIS 28 1HB HIS 28 10.160 0.801 -7.150 650 HB3 HIS 28 2HB HIS 28 11.371 1.529 -8.211 651 HD1 HIS 28 1HD HIS 28 13.804 0.236 -8.301 652 HD2 HIS 28 2HD HIS 28 10.620 -1.685 -6.316 653 HE1 HIS 28 1HE HIS 28 14.527 -2.236 -7.946 654 HE2 HIS 28 2HE HIS 28 12.633 -3.397 -6.747 655 H LYS 29 H LYS 29 12.778 3.926 -5.167 656 HA LYS 29 HA LYS 29 10.753 5.985 -5.635 657 HB2 LYS 29 1HB LYS 29 13.716 6.138 -5.039 658 HB3 LYS 29 2HB LYS 29 12.605 7.505 -4.970 659 HG2 LYS 29 1HG LYS 29 11.475 6.624 -3.044 660 HG3 LYS 29 2HG LYS 29 12.316 5.062 -3.167 661 HD2 LYS 29 1HD LYS 29 14.492 6.215 -2.805 662 HD3 LYS 29 2HD LYS 29 13.618 7.752 -2.607 663 HE2 LYS 29 1HE LYS 29 12.435 6.886 -0.685 664 HE3 LYS 29 2HE LYS 29 13.149 5.278 -0.890 665 HZ1 LYS 29 3HZ LYS 29 14.748 7.741 -0.399 666 HZ2 LYS 29 1HZ LYS 29 14.291 6.740 0.804 667 HZ3 LYS 29 2HZ LYS 29 15.305 6.222 -0.396 668 H GLY 30 H GLY 30 11.177 7.829 -7.095 669 HA2 GLY 30 1HA GLY 30 12.261 9.044 -8.745 670 HA3 GLY 30 2HA GLY 30 13.606 7.921 -8.606 671 H LEU 31 H LEU 31 10.390 6.802 -9.519 672 HA LEU 31 HA LEU 31 11.179 6.657 -12.367 673 HB2 LEU 31 1HB LEU 31 10.564 4.326 -12.559 674 HB3 LEU 31 2HB LEU 31 11.939 4.579 -11.529 675 HG LEU 31 HG LEU 31 10.687 4.078 -9.529 676 HD11 LEU 31 1HD1 LEU 31 8.232 3.684 -11.293 677 HD12 LEU 31 2HD1 LEU 31 8.395 3.196 -9.596 678 HD13 LEU 31 3HD1 LEU 31 8.433 4.906 -10.003 679 HD21 LEU 31 3HD2 LEU 31 11.643 2.210 -10.811 680 HD22 LEU 31 1HD2 LEU 31 10.121 1.703 -10.047 681 HD23 LEU 31 2HD2 LEU 31 10.155 2.074 -11.768 682 H SER 32 H SER 32 9.063 5.415 -13.520 683 HA SER 32 HA SER 32 6.762 7.134 -12.722 684 HB2 SER 32 1HB SER 32 6.517 7.829 -14.903 685 HB3 SER 32 2HB SER 32 8.257 7.916 -14.632 686 HG SER 32 HG SER 32 7.947 5.442 -15.473 687 H LEU 33 H LEU 33 4.767 6.511 -14.160 688 HA LEU 33 HA LEU 33 3.789 4.035 -13.228 689 HB2 LEU 33 1HB LEU 33 2.912 5.912 -15.444 690 HB3 LEU 33 2HB LEU 33 1.978 4.488 -15.012 691 HG LEU 33 HG LEU 33 2.692 6.586 -12.913 692 HD11 LEU 33 1HD1 LEU 33 1.474 7.638 -14.835 693 HD12 LEU 33 2HD1 LEU 33 0.167 6.455 -14.606 694 HD13 LEU 33 3HD1 LEU 33 0.564 7.631 -13.330 695 HD21 LEU 33 3HD2 LEU 33 0.457 4.571 -13.102 696 HD22 LEU 33 1HD2 LEU 33 1.915 4.352 -12.126 697 HD23 LEU 33 2HD2 LEU 33 0.781 5.660 -11.735 698 H SER 34 H SER 34 5.174 4.789 -16.492 699 HA SER 34 HA SER 34 4.703 2.179 -17.551 700 HB2 SER 34 1HB SER 34 6.814 4.250 -18.298 701 HB3 SER 34 2HB SER 34 6.251 2.890 -19.287 702 HG SER 34 HG SER 34 4.093 3.900 -19.003 703 H ASP 35 H ASP 35 7.298 3.478 -15.516 704 HA ASP 35 HA ASP 35 9.091 1.186 -15.895 705 HB2 ASP 35 1HB ASP 35 9.033 3.281 -13.712 706 HB3 ASP 35 2HB ASP 35 10.394 2.238 -14.135 707 H PHE 36 H PHE 36 6.631 2.256 -13.562 708 HA PHE 36 HA PHE 36 6.801 0.115 -11.683 709 HB2 PHE 36 1HB PHE 36 5.524 1.922 -11.004 710 HB3 PHE 36 2HB PHE 36 4.712 2.098 -12.530 711 HD1 PHE 36 2HD PHE 36 5.055 -0.596 -9.932 712 HD2 PHE 36 1HD PHE 36 2.450 1.531 -12.629 713 HE1 PHE 36 2HE PHE 36 3.155 -1.985 -9.200 714 HE2 PHE 36 1HE PHE 36 0.538 0.146 -11.869 715 HZ PHE 36 HZ PHE 36 0.889 -1.624 -10.155 716 H GLU 37 H GLU 37 4.849 0.368 -14.734 717 HA GLU 37 HA GLU 37 3.725 -2.224 -14.624 718 HB2 GLU 37 1HB GLU 37 4.458 -0.351 -16.903 719 HB3 GLU 37 2HB GLU 37 3.695 -1.922 -17.179 720 HG2 GLU 37 1HG GLU 37 1.798 -1.334 -15.776 721 HG3 GLU 37 2HG GLU 37 2.558 0.174 -15.290 722 H VAL 38 H VAL 38 6.957 -1.238 -15.779 723 HA VAL 38 HA VAL 38 7.734 -3.917 -16.602 724 HB VAL 38 HB VAL 38 9.476 -1.539 -15.844 725 HG11 VAL 38 1HG1 VAL 38 10.774 -3.583 -15.570 726 HG12 VAL 38 2HG1 VAL 38 10.223 -4.176 -17.154 727 HG13 VAL 38 3HG1 VAL 38 11.275 -2.745 -17.033 728 HG21 VAL 38 3HG2 VAL 38 8.464 -0.851 -17.800 729 HG22 VAL 38 1HG2 VAL 38 9.795 -1.755 -18.492 730 HG23 VAL 38 2HG2 VAL 38 8.191 -2.486 -18.396 731 H LEU 39 H LEU 39 8.316 -2.057 -13.573 732 HA LEU 39 HA LEU 39 9.722 -4.031 -12.161 733 HB2 LEU 39 1HB LEU 39 9.440 -1.733 -11.358 734 HB3 LEU 39 2HB LEU 39 7.713 -1.988 -11.155 735 HG LEU 39 HG LEU 39 8.206 -3.725 -9.398 736 HD11 LEU 39 1HD1 LEU 39 10.533 -4.271 -10.049 737 HD12 LEU 39 2HD1 LEU 39 11.043 -2.641 -9.579 738 HD13 LEU 39 3HD1 LEU 39 10.407 -3.784 -8.363 739 HD21 LEU 39 3HD2 LEU 39 7.608 -1.384 -8.896 740 HD22 LEU 39 1HD2 LEU 39 8.698 -2.052 -7.672 741 HD23 LEU 39 2HD2 LEU 39 9.321 -0.932 -8.916 742 H TYR 40 H TYR 40 6.165 -3.541 -12.151 743 HA TYR 40 HA TYR 40 5.495 -5.877 -10.633 744 HB2 TYR 40 1HB TYR 40 3.978 -3.969 -10.989 745 HB3 TYR 40 2HB TYR 40 3.881 -4.339 -12.704 746 HD1 TYR 40 1HD TYR 40 3.156 -5.749 -9.290 747 HD2 TYR 40 2HD TYR 40 2.246 -5.873 -13.508 748 HE1 TYR 40 1HE TYR 40 1.276 -7.337 -8.850 749 HE2 TYR 40 2HE TYR 40 0.368 -7.434 -13.061 750 HH TYR 40 HH TYR 40 -0.784 -8.580 -11.490 751 H GLY 41 H GLY 41 5.616 -5.422 -14.230 752 HA2 GLY 41 1HA GLY 41 4.915 -8.070 -14.920 753 HA3 GLY 41 2HA GLY 41 5.826 -6.927 -15.913 754 H ASN 42 H ASN 42 7.983 -6.925 -13.715 755 HA ASN 42 HA ASN 42 9.407 -9.376 -14.643 756 HB2 ASN 42 1HB ASN 42 10.195 -7.083 -15.248 757 HB3 ASN 42 2HB ASN 42 10.436 -6.730 -13.538 758 HD21 ASN 42 1HD2 ASN 42 12.518 -7.143 -12.761 759 HD22 ASN 42 2HD2 ASN 42 13.624 -8.204 -13.654 760 H THR 43 H THR 43 8.204 -7.965 -11.713 761 HA THR 43 HA THR 43 10.058 -9.650 -10.061 762 HB THR 43 HB THR 43 9.016 -7.004 -9.113 763 HG1 THR 43 1HG THR 43 9.726 -6.411 -10.989 764 HG21 THR 43 3HG2 THR 43 11.136 -6.858 -7.935 765 HG22 THR 43 1HG2 THR 43 10.451 -8.442 -7.609 766 HG23 THR 43 2HG2 THR 43 11.759 -8.275 -8.778 767 H ALA 44 H ALA 44 6.689 -9.038 -10.564 768 HA ALA 44 HA ALA 44 5.805 -9.194 -7.867 769 HB1 ALA 44 3HB ALA 44 4.274 -9.554 -10.450 770 HB2 ALA 44 1HB ALA 44 3.576 -9.230 -8.847 771 HB3 ALA 44 2HB ALA 44 4.615 -8.018 -9.616 772 H ASP 45 H ASP 45 7.390 -11.311 -7.849 773 HA ASP 45 HA ASP 45 5.869 -13.802 -8.275 774 HB2 ASP 45 1HB ASP 45 8.181 -13.653 -9.027 775 HB3 ASP 45 2HB ASP 45 8.725 -13.287 -7.385 776 H GLU 46 H GLU 46 4.310 -13.940 -6.781 777 HA GLU 46 HA GLU 46 3.207 -14.314 -4.863 778 HB2 GLU 46 1HB GLU 46 5.037 -16.010 -4.451 779 HB3 GLU 46 2HB GLU 46 5.816 -14.826 -3.404 780 HG2 GLU 46 1HG GLU 46 4.494 -16.336 -2.052 781 HG3 GLU 46 2HG GLU 46 3.756 -14.737 -1.992 782 H ILE 47 H ILE 47 2.738 -12.091 -5.247 783 HA ILE 47 HA ILE 47 3.974 -10.003 -3.720 784 HB ILE 47 HB ILE 47 3.000 -9.617 -5.888 785 HG12 ILE 47 1HG1 ILE 47 1.219 -7.822 -4.354 786 HG13 ILE 47 2HG1 ILE 47 2.823 -7.931 -3.655 787 HG21 ILE 47 1HG2 ILE 47 0.735 -9.732 -6.456 788 HG22 ILE 47 2HG2 ILE 47 0.971 -11.190 -5.503 789 HG23 ILE 47 3HG2 ILE 47 0.191 -9.799 -4.775 790 HD11 ILE 47 3HD1 ILE 47 3.863 -7.319 -5.719 791 HD12 ILE 47 1HD1 ILE 47 2.257 -7.115 -6.469 792 HD13 ILE 47 2HD1 ILE 47 2.767 -6.094 -5.112 793 H ILE 48 H ILE 48 3.404 -8.886 -2.064 794 HA ILE 48 HA ILE 48 1.442 -9.910 -0.139 795 HB ILE 48 HB ILE 48 4.236 -8.868 0.414 796 HG12 ILE 48 1HG1 ILE 48 4.466 -11.059 -0.582 797 HG13 ILE 48 2HG1 ILE 48 4.893 -11.092 1.105 798 HG21 ILE 48 1HG2 ILE 48 2.540 -8.393 2.205 799 HG22 ILE 48 2HG2 ILE 48 2.300 -10.107 2.386 800 HG23 ILE 48 3HG2 ILE 48 3.879 -9.395 2.727 801 HD11 ILE 48 3HD1 ILE 48 2.240 -12.102 0.000 802 HD12 ILE 48 1HD1 ILE 48 3.589 -13.111 0.456 803 HD13 ILE 48 2HD1 ILE 48 2.778 -12.179 1.676 804 H LYS 49 H LYS 49 3.569 -7.070 -0.954 805 HA LYS 49 HA LYS 49 1.144 -5.392 -0.710 806 HB2 LYS 49 1HB LYS 49 3.700 -4.475 0.646 807 HB3 LYS 49 2HB LYS 49 2.152 -3.657 0.592 808 HG2 LYS 49 1HG LYS 49 1.166 -5.560 1.884 809 HG3 LYS 49 2HG LYS 49 2.804 -6.227 2.055 810 HD2 LYS 49 1HD LYS 49 3.542 -4.147 3.172 811 HD3 LYS 49 2HD LYS 49 1.883 -3.507 3.049 812 HE2 LYS 49 1HE LYS 49 1.045 -5.417 4.360 813 HE3 LYS 49 2HE LYS 49 2.670 -6.087 4.464 814 HZ1 LYS 49 3HZ LYS 49 3.342 -4.169 5.735 815 HZ2 LYS 49 1HZ LYS 49 1.871 -3.467 5.547 816 HZ3 LYS 49 2HZ LYS 49 2.017 -4.822 6.444 817 H LEU 50 H LEU 50 1.284 -3.347 -1.638 818 HA LEU 50 HA LEU 50 3.610 -2.632 -3.293 819 HB2 LEU 50 1HB LEU 50 1.781 -4.171 -4.522 820 HB3 LEU 50 2HB LEU 50 0.967 -2.627 -4.744 821 HG LEU 50 HG LEU 50 3.785 -3.250 -5.643 822 HD11 LEU 50 1HD1 LEU 50 1.805 -4.481 -6.754 823 HD12 LEU 50 2HD1 LEU 50 1.271 -2.899 -7.330 824 HD13 LEU 50 3HD1 LEU 50 2.841 -3.564 -7.821 825 HD21 LEU 50 3HD2 LEU 50 3.549 -0.851 -5.272 826 HD22 LEU 50 1HD2 LEU 50 3.464 -1.156 -7.009 827 HD23 LEU 50 2HD2 LEU 50 1.975 -0.836 -6.100 828 H ARG 51 H ARG 51 3.956 -0.620 -2.560 829 HA ARG 51 HA ARG 51 1.622 1.222 -2.280 830 HB2 ARG 51 1HB ARG 51 3.204 0.571 -0.262 831 HB3 ARG 51 2HB ARG 51 4.265 1.804 -0.940 832 HG2 ARG 51 1HG ARG 51 1.330 2.200 -0.288 833 HG3 ARG 51 2HG ARG 51 2.622 2.564 0.844 834 HD2 ARG 51 1HD ARG 51 2.524 3.915 -1.891 835 HD3 ARG 51 2HD ARG 51 1.547 4.467 -0.549 836 HE ARG 51 HE ARG 51 3.424 5.135 0.661 837 HH11 ARG 51 2HH1 ARG 51 4.731 3.816 -2.474 838 HH12 ARG 51 1HH1 ARG 51 6.123 4.873 -2.205 839 HH21 ARG 51 2HH2 ARG 51 5.423 6.274 0.680 840 HH22 ARG 51 1HH2 ARG 51 6.470 5.979 -0.726 841 H LEU 52 H LEU 52 1.434 2.030 -4.275 842 HA LEU 52 HA LEU 52 3.802 3.377 -5.516 843 HB2 LEU 52 1HB LEU 52 2.763 1.926 -7.037 844 HB3 LEU 52 2HB LEU 52 1.155 2.519 -6.707 845 HG LEU 52 HG LEU 52 3.219 4.471 -7.742 846 HD11 LEU 52 1HD1 LEU 52 3.434 2.482 -9.192 847 HD12 LEU 52 2HD1 LEU 52 1.686 2.507 -9.490 848 HD13 LEU 52 3HD1 LEU 52 2.716 3.851 -10.046 849 HD21 LEU 52 3HD2 LEU 52 0.894 5.282 -7.167 850 HD22 LEU 52 1HD2 LEU 52 1.283 5.473 -8.872 851 HD23 LEU 52 2HD2 LEU 52 0.242 4.148 -8.355 852 H ASP 53 H ASP 53 4.012 5.467 -5.337 853 HA ASP 53 HA ASP 53 1.734 7.226 -4.562 854 HB2 ASP 53 1HB ASP 53 2.893 6.332 -2.577 855 HB3 ASP 53 2HB ASP 53 4.428 6.976 -3.170 856 H LYS 54 H LYS 54 1.692 8.903 -6.063 857 HA LYS 54 HA LYS 54 4.011 9.896 -7.517 858 HB2 LYS 54 1HB LYS 54 1.620 10.348 -8.152 859 HB3 LYS 54 2HB LYS 54 1.494 11.271 -6.667 860 HG2 LYS 54 1HG LYS 54 1.769 12.903 -8.338 861 HG3 LYS 54 2HG LYS 54 3.334 12.798 -7.555 862 HD2 LYS 54 1HD LYS 54 3.991 11.149 -9.463 863 HD3 LYS 54 2HD LYS 54 2.461 11.628 -10.220 864 HE2 LYS 54 1HE LYS 54 3.993 13.085 -11.217 865 HE3 LYS 54 2HE LYS 54 3.294 14.072 -9.920 866 HZ1 LYS 54 3HZ LYS 54 5.856 12.585 -9.762 867 HZ2 LYS 54 1HZ LYS 54 5.764 14.224 -9.826 868 HZ3 LYS 54 2HZ LYS 54 5.234 13.436 -8.547 869 H VAL 55 H VAL 55 5.744 10.677 -6.728 870 HA VAL 55 HA VAL 55 5.895 12.032 -4.133 871 HB VAL 55 HB VAL 55 8.016 11.859 -6.292 872 HG11 VAL 55 1HG1 VAL 55 9.424 11.828 -4.073 873 HG12 VAL 55 2HG1 VAL 55 8.866 13.336 -4.766 874 HG13 VAL 55 3HG1 VAL 55 8.007 12.620 -3.386 875 HG21 VAL 55 3HG2 VAL 55 7.359 9.544 -5.779 876 HG22 VAL 55 1HG2 VAL 55 8.940 9.885 -5.116 877 HG23 VAL 55 2HG2 VAL 55 7.522 9.861 -4.049 878 H LEU 56 H LEU 56 6.579 14.167 -4.025 879 HA LEU 56 HA LEU 56 5.751 16.005 -6.235 880 HB2 LEU 56 1HB LEU 56 4.727 15.926 -3.364 881 HB3 LEU 56 2HB LEU 56 4.504 17.324 -4.410 882 HG LEU 56 HG LEU 56 3.504 14.546 -5.152 883 HD11 LEU 56 1HD1 LEU 56 1.959 16.757 -3.777 884 HD12 LEU 56 2HD1 LEU 56 1.298 15.228 -4.390 885 HD13 LEU 56 3HD1 LEU 56 2.477 15.203 -3.073 886 HD21 LEU 56 3HD2 LEU 56 1.999 15.826 -6.643 887 HD22 LEU 56 1HD2 LEU 56 2.772 17.331 -6.108 888 HD23 LEU 56 2HD2 LEU 56 3.706 16.108 -7.000 Start of MODEL 19 1 H1 MET 1 1H MET 1 -8.915 -9.843 8.591 2 H2 MET 1 2H MET 1 -10.557 -9.485 8.671 3 H3 MET 1 3H MET 1 -9.837 -10.032 7.280 4 HA MET 1 HA MET 1 -9.582 -12.162 7.957 5 HB2 MET 1 1HB MET 1 -10.123 -11.151 10.768 6 HB3 MET 1 2HB MET 1 -10.239 -12.862 10.276 7 HG2 MET 1 1HG MET 1 -7.878 -12.582 9.295 8 HG3 MET 1 2HG MET 1 -7.839 -11.087 10.261 9 HE1 MET 1 3HE MET 1 -6.584 -12.202 13.300 10 HE2 MET 1 1HE MET 1 -6.036 -11.808 11.621 11 HE3 MET 1 2HE MET 1 -7.384 -10.910 12.365 12 H VAL 2 H VAL 2 -11.130 -13.259 7.238 13 HA VAL 2 HA VAL 2 -13.092 -13.784 6.369 14 HB VAL 2 HB VAL 2 -14.907 -14.432 7.778 15 HG11 VAL 2 1HG1 VAL 2 -13.752 -16.031 9.198 16 HG12 VAL 2 2HG1 VAL 2 -12.925 -15.858 7.637 17 HG13 VAL 2 3HG1 VAL 2 -12.251 -15.086 9.095 18 HG21 VAL 2 3HG2 VAL 2 -13.561 -13.272 10.240 19 HG22 VAL 2 1HG2 VAL 2 -14.942 -12.508 9.425 20 HG23 VAL 2 2HG2 VAL 2 -15.107 -14.124 10.127 21 H GLN 3 H GLN 3 -15.564 -13.235 6.331 22 HA GLN 3 HA GLN 3 -15.586 -10.581 5.197 23 HB2 GLN 3 1HB GLN 3 -16.544 -12.836 4.335 24 HB3 GLN 3 2HB GLN 3 -17.912 -12.504 5.422 25 HG2 GLN 3 1HG GLN 3 -18.243 -10.304 4.235 26 HG3 GLN 3 2HG GLN 3 -16.819 -10.653 3.238 27 HE21 GLN 3 1HE2 GLN 3 -18.498 -10.321 1.477 28 HE22 GLN 3 2HE2 GLN 3 -19.366 -11.809 1.043 29 H ASN 4 H ASN 4 -15.223 -10.396 7.816 30 HA ASN 4 HA ASN 4 -17.631 -8.959 8.864 31 HB2 ASN 4 1HB ASN 4 -16.509 -10.537 10.401 32 HB3 ASN 4 2HB ASN 4 -14.949 -9.742 10.127 33 HD21 ASN 4 1HD2 ASN 4 -14.435 -7.822 11.322 34 HD22 ASN 4 2HD2 ASN 4 -15.668 -7.200 12.450 35 H ASP 5 H ASP 5 -14.196 -8.634 7.740 36 HA ASP 5 HA ASP 5 -14.626 -5.759 7.307 37 HB2 ASP 5 1HB ASP 5 -12.257 -5.626 8.326 38 HB3 ASP 5 2HB ASP 5 -13.664 -5.631 9.389 39 H PHE 6 H PHE 6 -11.976 -8.076 7.174 40 HA PHE 6 HA PHE 6 -11.562 -7.584 4.243 41 HB2 PHE 6 1HB PHE 6 -9.607 -7.922 6.541 42 HB3 PHE 6 2HB PHE 6 -9.146 -8.146 4.866 43 HD1 PHE 6 1HD PHE 6 -9.137 -6.277 3.266 44 HD2 PHE 6 2HD PHE 6 -10.004 -5.681 7.442 45 HE1 PHE 6 1HE PHE 6 -8.588 -3.864 3.032 46 HE2 PHE 6 2HE PHE 6 -9.488 -3.260 7.200 47 HZ PHE 6 HZ PHE 6 -8.761 -2.358 4.990 48 H VAL 7 H VAL 7 -12.833 -9.314 3.630 49 HA VAL 7 HA VAL 7 -12.281 -12.016 4.532 50 HB VAL 7 HB VAL 7 -14.444 -11.236 3.522 51 HG11 VAL 7 1HG1 VAL 7 -14.784 -11.159 1.139 52 HG12 VAL 7 2HG1 VAL 7 -13.552 -9.956 1.566 53 HG13 VAL 7 3HG1 VAL 7 -13.072 -11.496 0.823 54 HG21 VAL 7 3HG2 VAL 7 -14.927 -13.332 2.436 55 HG22 VAL 7 1HG2 VAL 7 -13.209 -13.625 2.114 56 HG23 VAL 7 2HG2 VAL 7 -13.813 -13.632 3.785 57 H ASP 8 H ASP 8 -11.069 -13.703 3.352 58 HA ASP 8 HA ASP 8 -8.654 -12.707 2.348 59 HB2 ASP 8 1HB ASP 8 -8.235 -15.080 1.618 60 HB3 ASP 8 2HB ASP 8 -8.499 -14.733 3.307 61 H SER 9 H SER 9 -7.838 -12.403 0.639 62 HA SER 9 HA SER 9 -8.374 -12.361 -2.100 63 HB2 SER 9 1HB SER 9 -10.132 -10.445 -0.500 64 HB3 SER 9 2HB SER 9 -9.699 -10.132 -2.178 65 HG SER 9 HG SER 9 -10.460 -12.651 -2.013 66 H TYR 10 H TYR 10 -7.801 -9.956 -2.913 67 HA TYR 10 HA TYR 10 -5.833 -8.681 -1.053 68 HB2 TYR 10 1HB TYR 10 -6.367 -8.348 -4.046 69 HB3 TYR 10 2HB TYR 10 -5.267 -7.341 -3.126 70 HD1 TYR 10 2HD TYR 10 -5.849 -10.923 -4.146 71 HD2 TYR 10 1HD TYR 10 -3.044 -7.974 -2.749 72 HE1 TYR 10 2HE TYR 10 -3.986 -12.463 -4.680 73 HE2 TYR 10 1HE TYR 10 -1.160 -9.519 -3.286 74 HH TYR 10 HH TYR 10 -1.726 -12.718 -4.771 75 H ASP 11 H ASP 11 -5.939 -6.488 -0.785 76 HA ASP 11 HA ASP 11 -8.495 -5.040 -1.409 77 HB2 ASP 11 1HB ASP 11 -8.157 -5.019 0.977 78 HB3 ASP 11 2HB ASP 11 -6.438 -4.655 0.806 79 H VAL 12 H VAL 12 -8.258 -3.141 -2.446 80 HA VAL 12 HA VAL 12 -5.542 -2.145 -3.107 81 HB VAL 12 HB VAL 12 -7.710 -1.998 -5.210 82 HG11 VAL 12 1HG1 VAL 12 -5.955 -1.197 -6.561 83 HG12 VAL 12 2HG1 VAL 12 -5.621 -0.415 -5.019 84 HG13 VAL 12 3HG1 VAL 12 -4.691 -1.846 -5.527 85 HG21 VAL 12 3HG2 VAL 12 -6.484 -3.752 -6.456 86 HG22 VAL 12 1HG2 VAL 12 -5.534 -4.099 -4.984 87 HG23 VAL 12 2HG2 VAL 12 -7.282 -4.383 -5.009 88 H THR 13 H THR 13 -5.707 -0.710 -1.492 89 HA THR 13 HA THR 13 -7.864 1.304 -1.361 90 HB THR 13 HB THR 13 -5.171 1.000 0.030 91 HG1 THR 13 1HG THR 13 -6.845 -0.560 0.717 92 HG21 THR 13 3HG2 THR 13 -5.383 3.178 0.562 93 HG22 THR 13 1HG2 THR 13 -7.068 3.278 -0.027 94 HG23 THR 13 2HG2 THR 13 -6.717 2.662 1.599 95 H MET 14 H MET 14 -7.967 2.715 -3.081 96 HA MET 14 HA MET 14 -5.383 3.694 -4.254 97 HB2 MET 14 1HB MET 14 -6.368 1.934 -5.681 98 HB3 MET 14 2HB MET 14 -7.862 2.882 -5.809 99 HG2 MET 14 1HG MET 14 -6.654 4.714 -6.888 100 HG3 MET 14 2HG MET 14 -5.109 3.897 -6.651 101 HE1 MET 14 3HE MET 14 -5.589 0.742 -8.633 102 HE2 MET 14 1HE MET 14 -4.323 1.896 -9.116 103 HE3 MET 14 2HE MET 14 -4.699 1.643 -7.389 104 H LEU 15 H LEU 15 -5.311 5.720 -5.070 105 HA LEU 15 HA LEU 15 -7.549 7.532 -4.361 106 HB2 LEU 15 1HB LEU 15 -5.437 7.134 -2.789 107 HB3 LEU 15 2HB LEU 15 -4.674 8.284 -3.897 108 HG LEU 15 HG LEU 15 -7.239 8.705 -2.302 109 HD11 LEU 15 1HD1 LEU 15 -5.053 8.601 -1.038 110 HD12 LEU 15 2HD1 LEU 15 -4.469 9.959 -2.008 111 HD13 LEU 15 3HD1 LEU 15 -5.870 10.172 -0.929 112 HD21 LEU 15 3HD2 LEU 15 -7.269 10.139 -4.332 113 HD22 LEU 15 1HD2 LEU 15 -7.025 11.068 -2.863 114 HD23 LEU 15 2HD2 LEU 15 -5.645 10.736 -3.941 115 H LEU 16 H LEU 16 -8.177 8.669 -5.950 116 HA LEU 16 HA LEU 16 -6.386 9.375 -8.236 117 HB2 LEU 16 1HB LEU 16 -9.111 8.120 -8.064 118 HB3 LEU 16 2HB LEU 16 -9.003 9.438 -9.206 119 HG LEU 16 HG LEU 16 -8.670 7.299 -10.276 120 HD11 LEU 16 1HD1 LEU 16 -7.594 9.354 -11.178 121 HD12 LEU 16 2HD1 LEU 16 -6.097 8.903 -10.315 122 HD13 LEU 16 3HD1 LEU 16 -6.727 7.864 -11.596 123 HD21 LEU 16 3HD2 LEU 16 -6.163 7.011 -8.566 124 HD22 LEU 16 1HD2 LEU 16 -7.635 5.995 -8.518 125 HD23 LEU 16 2HD2 LEU 16 -6.598 5.996 -9.947 126 H GLN 17 H GLN 17 -7.348 11.231 -9.508 127 HA GLN 17 HA GLN 17 -8.506 13.319 -7.736 128 HB2 GLN 17 1HB GLN 17 -6.040 13.519 -7.904 129 HB3 GLN 17 2HB GLN 17 -6.162 13.583 -9.663 130 HG2 GLN 17 1HG GLN 17 -7.435 15.681 -9.537 131 HG3 GLN 17 2HG GLN 17 -7.465 15.586 -7.769 132 HE21 GLN 17 1HE2 GLN 17 -5.706 16.798 -10.482 133 HE22 GLN 17 2HE2 GLN 17 -4.275 17.231 -9.551 134 H ASP 18 H ASP 18 -10.024 14.602 -8.648 135 HA ASP 18 HA ASP 18 -10.342 14.707 -11.554 136 HB2 ASP 18 1HB ASP 18 -11.557 12.615 -10.448 137 HB3 ASP 18 2HB ASP 18 -12.723 13.811 -9.897 138 H ASP 19 H ASP 19 -12.536 15.922 -11.859 139 HA ASP 19 HA ASP 19 -13.494 18.065 -11.809 140 HB2 ASP 19 1HB ASP 19 -14.909 16.302 -10.867 141 HB3 ASP 19 2HB ASP 19 -14.358 16.706 -9.239 142 H ASP 20 H ASP 20 -11.589 19.257 -11.680 143 HA ASP 20 HA ASP 20 -10.673 21.257 -11.152 144 HB2 ASP 20 1HB ASP 20 -13.029 21.564 -9.942 145 HB3 ASP 20 2HB ASP 20 -12.047 21.458 -8.481 146 H GLY 21 H GLY 21 -10.203 18.474 -9.430 147 HA2 GLY 21 1HA GLY 21 -7.834 18.021 -8.801 148 HA3 GLY 21 2HA GLY 21 -7.807 19.571 -7.966 149 H LYS 22 H LYS 22 -10.764 17.826 -7.651 150 HA LYS 22 HA LYS 22 -10.461 17.423 -4.773 151 HB2 LYS 22 1HB LYS 22 -12.611 16.631 -6.776 152 HB3 LYS 22 2HB LYS 22 -12.710 16.352 -5.026 153 HG2 LYS 22 1HG LYS 22 -12.526 18.785 -4.598 154 HG3 LYS 22 2HG LYS 22 -12.385 19.092 -6.331 155 HD2 LYS 22 1HD LYS 22 -14.654 17.808 -6.556 156 HD3 LYS 22 2HD LYS 22 -14.760 17.986 -4.796 157 HE2 LYS 22 1HE LYS 22 -15.950 19.831 -5.667 158 HE3 LYS 22 2HE LYS 22 -14.383 20.507 -5.179 159 HZ1 LYS 22 3HZ LYS 22 -13.703 20.227 -7.580 160 HZ2 LYS 22 1HZ LYS 22 -15.166 19.684 -7.938 161 HZ3 LYS 22 2HZ LYS 22 -15.020 21.247 -7.444 162 H GLN 23 H GLN 23 -8.982 15.996 -4.263 163 HA GLN 23 HA GLN 23 -8.599 13.469 -5.657 164 HB2 GLN 23 1HB GLN 23 -7.494 14.532 -3.026 165 HB3 GLN 23 2HB GLN 23 -7.007 13.022 -3.817 166 HG2 GLN 23 1HG GLN 23 -6.320 14.256 -5.827 167 HG3 GLN 23 2HG GLN 23 -6.704 15.791 -5.037 168 HE21 GLN 23 1HE2 GLN 23 -4.241 15.534 -6.030 169 HE22 GLN 23 2HE2 GLN 23 -3.100 15.314 -4.666 170 H TYR 24 H TYR 24 -9.284 11.453 -5.067 171 HA TYR 24 HA TYR 24 -11.004 11.215 -2.653 172 HB2 TYR 24 1HB TYR 24 -12.835 10.313 -3.858 173 HB3 TYR 24 2HB TYR 24 -12.438 11.872 -4.554 174 HD1 TYR 24 1HD TYR 24 -11.283 11.992 -6.810 175 HD2 TYR 24 2HD TYR 24 -12.722 8.278 -5.137 176 HE1 TYR 24 1HE TYR 24 -11.213 10.947 -9.058 177 HE2 TYR 24 2HE TYR 24 -12.660 7.236 -7.403 178 HH TYR 24 HH TYR 24 -11.614 9.057 -10.295 179 H TYR 25 H TYR 25 -10.870 9.396 -1.620 180 HA TYR 25 HA TYR 25 -9.149 7.185 -2.533 181 HB2 TYR 25 1HB TYR 25 -10.590 7.971 0.009 182 HB3 TYR 25 2HB TYR 25 -10.273 6.274 -0.260 183 HD1 TYR 25 2HD TYR 25 -7.908 5.490 -0.813 184 HD2 TYR 25 1HD TYR 25 -8.855 9.324 0.917 185 HE1 TYR 25 2HE TYR 25 -5.622 5.602 0.192 186 HE2 TYR 25 1HE TYR 25 -6.606 9.435 1.938 187 HH TYR 25 HH TYR 25 -4.685 8.350 2.278 188 H GLU 26 H GLU 26 -9.818 5.165 -2.955 189 HA GLU 26 HA GLU 26 -12.518 4.360 -2.135 190 HB2 GLU 26 1HB GLU 26 -11.358 3.744 -4.878 191 HB3 GLU 26 2HB GLU 26 -12.690 2.850 -4.126 192 HG2 GLU 26 1HG GLU 26 -13.944 5.068 -3.966 193 HG3 GLU 26 2HG GLU 26 -12.698 5.749 -5.029 194 H TYR 27 H TYR 27 -12.617 2.194 -1.561 195 HA TYR 27 HA TYR 27 -9.992 0.983 -0.796 196 HB2 TYR 27 1HB TYR 27 -12.648 1.197 0.666 197 HB3 TYR 27 2HB TYR 27 -11.259 0.271 1.231 198 HD1 TYR 27 2HD TYR 27 -9.149 1.407 1.873 199 HD2 TYR 27 1HD TYR 27 -12.710 3.633 0.878 200 HE1 TYR 27 2HE TYR 27 -8.235 3.423 3.039 201 HE2 TYR 27 1HE TYR 27 -11.781 5.638 2.001 202 HH TYR 27 HH TYR 27 -9.997 6.503 3.164 203 H HIS 28 H HIS 28 -9.929 -0.392 -2.664 204 HA HIS 28 HA HIS 28 -12.372 -1.913 -3.287 205 HB2 HIS 28 1HB HIS 28 -9.728 -1.840 -4.722 206 HB3 HIS 28 2HB HIS 28 -11.205 -2.601 -5.272 207 HD1 HIS 28 1HD HIS 28 -13.249 -0.911 -5.958 208 HD2 HIS 28 2HD HIS 28 -9.428 0.743 -5.266 209 HE1 HIS 28 1HE HIS 28 -13.245 1.442 -7.083 210 HE2 HIS 28 2HE HIS 28 -10.955 2.431 -6.650 211 H LYS 29 H LYS 29 -12.168 -2.892 -1.164 212 HA LYS 29 HA LYS 29 -10.418 -5.149 -0.673 213 HB2 LYS 29 1HB LYS 29 -13.242 -4.552 0.252 214 HB3 LYS 29 2HB LYS 29 -12.226 -5.842 0.912 215 HG2 LYS 29 1HG LYS 29 -10.514 -4.071 1.516 216 HG3 LYS 29 2HG LYS 29 -11.710 -2.835 1.090 217 HD2 LYS 29 1HD LYS 29 -12.061 -5.009 3.199 218 HD3 LYS 29 2HD LYS 29 -11.637 -3.323 3.527 219 HE2 LYS 29 1HE LYS 29 -13.793 -2.582 2.506 220 HE3 LYS 29 2HE LYS 29 -14.208 -4.276 2.194 221 HZ1 LYS 29 3HZ LYS 29 -13.641 -4.387 4.772 222 HZ2 LYS 29 1HZ LYS 29 -14.300 -2.847 4.698 223 HZ3 LYS 29 2HZ LYS 29 -15.138 -4.190 4.202 224 H GLY 30 H GLY 30 -10.939 -7.380 -0.775 225 HA2 GLY 30 1HA GLY 30 -12.056 -9.320 -1.429 226 HA3 GLY 30 2HA GLY 30 -13.397 -8.328 -2.000 227 H LEU 31 H LEU 31 -10.147 -7.737 -3.230 228 HA LEU 31 HA LEU 31 -11.050 -8.656 -5.936 229 HB2 LEU 31 1HB LEU 31 -9.146 -6.447 -5.029 230 HB3 LEU 31 2HB LEU 31 -9.294 -6.961 -6.687 231 HG LEU 31 HG LEU 31 -11.322 -5.472 -5.024 232 HD11 LEU 31 1HD1 LEU 31 -9.614 -4.225 -6.304 233 HD12 LEU 31 2HD1 LEU 31 -10.071 -5.083 -7.790 234 HD13 LEU 31 3HD1 LEU 31 -11.222 -3.981 -7.031 235 HD21 LEU 31 3HD2 LEU 31 -12.917 -5.635 -6.938 236 HD22 LEU 31 1HD2 LEU 31 -11.904 -6.907 -7.655 237 HD23 LEU 31 2HD2 LEU 31 -12.713 -7.166 -6.093 238 H SER 32 H SER 32 -8.998 -8.910 -7.391 239 HA SER 32 HA SER 32 -6.830 -10.328 -5.974 240 HB2 SER 32 1HB SER 32 -6.900 -12.151 -7.396 241 HB3 SER 32 2HB SER 32 -8.590 -11.903 -6.983 242 HG SER 32 HG SER 32 -8.925 -10.761 -9.010 243 H LEU 33 H LEU 33 -5.004 -10.769 -7.759 244 HA LEU 33 HA LEU 33 -4.106 -8.149 -8.505 245 HB2 LEU 33 1HB LEU 33 -3.100 -10.935 -9.197 246 HB3 LEU 33 2HB LEU 33 -2.273 -9.461 -9.694 247 HG LEU 33 HG LEU 33 -2.828 -10.245 -6.799 248 HD11 LEU 33 1HD1 LEU 33 -0.252 -10.245 -8.428 249 HD12 LEU 33 2HD1 LEU 33 -0.393 -10.612 -6.695 250 HD13 LEU 33 3HD1 LEU 33 -1.140 -11.687 -7.890 251 HD21 LEU 33 3HD2 LEU 33 -2.696 -7.794 -7.032 252 HD22 LEU 33 1HD2 LEU 33 -1.253 -8.405 -6.255 253 HD23 LEU 33 2HD2 LEU 33 -1.198 -7.942 -7.972 254 H SER 34 H SER 34 -5.763 -10.653 -10.418 255 HA SER 34 HA SER 34 -5.477 -9.303 -12.933 256 HB2 SER 34 1HB SER 34 -7.487 -11.316 -11.863 257 HB3 SER 34 2HB SER 34 -7.377 -10.794 -13.560 258 HG SER 34 HG SER 34 -6.118 -12.733 -12.971 259 H ASP 35 H ASP 35 -7.565 -8.721 -10.171 260 HA ASP 35 HA ASP 35 -9.435 -7.016 -11.718 261 HB2 ASP 35 1HB ASP 35 -9.230 -7.586 -8.748 262 HB3 ASP 35 2HB ASP 35 -10.557 -6.755 -9.567 263 H PHE 36 H PHE 36 -6.706 -6.763 -9.443 264 HA PHE 36 HA PHE 36 -6.603 -3.893 -9.282 265 HB2 PHE 36 1HB PHE 36 -5.209 -5.170 -7.821 266 HB3 PHE 36 2HB PHE 36 -4.506 -6.070 -9.149 267 HD1 PHE 36 1HD PHE 36 -4.919 -2.431 -8.259 268 HD2 PHE 36 2HD PHE 36 -2.322 -5.534 -9.749 269 HE1 PHE 36 1HE PHE 36 -3.075 -0.790 -8.453 270 HE2 PHE 36 2HE PHE 36 -0.476 -3.895 -9.937 271 HZ PHE 36 HZ PHE 36 -0.845 -1.517 -9.276 272 H GLU 37 H GLU 37 -5.220 -6.190 -11.725 273 HA GLU 37 HA GLU 37 -4.117 -4.261 -13.468 274 HB2 GLU 37 1HB GLU 37 -5.260 -7.038 -13.809 275 HB3 GLU 37 2HB GLU 37 -4.810 -6.096 -15.231 276 HG2 GLU 37 1HG GLU 37 -2.532 -5.787 -14.391 277 HG3 GLU 37 2HG GLU 37 -2.939 -6.604 -12.876 278 H VAL 38 H VAL 38 -7.528 -5.162 -13.099 279 HA VAL 38 HA VAL 38 -8.411 -3.634 -15.423 280 HB VAL 38 HB VAL 38 -9.987 -4.556 -12.976 281 HG11 VAL 38 1HG1 VAL 38 -11.148 -2.682 -14.004 282 HG12 VAL 38 2HG1 VAL 38 -10.903 -3.376 -15.628 283 HG13 VAL 38 3HG1 VAL 38 -11.968 -4.180 -14.448 284 HG21 VAL 38 3HG2 VAL 38 -10.892 -6.239 -14.632 285 HG22 VAL 38 1HG2 VAL 38 -9.625 -5.711 -15.775 286 HG23 VAL 38 2HG2 VAL 38 -9.195 -6.465 -14.229 287 H LEU 39 H LEU 39 -8.364 -2.957 -11.885 288 HA LEU 39 HA LEU 39 -9.382 -0.302 -12.098 289 HB2 LEU 39 1HB LEU 39 -9.243 -1.641 -10.012 290 HB3 LEU 39 2HB LEU 39 -7.488 -1.543 -10.060 291 HG LEU 39 HG LEU 39 -7.668 0.966 -9.812 292 HD11 LEU 39 1HD1 LEU 39 -9.781 1.928 -9.019 293 HD12 LEU 39 2HD1 LEU 39 -10.017 1.241 -10.630 294 HD13 LEU 39 3HD1 LEU 39 -10.597 0.349 -9.209 295 HD21 LEU 39 3HD2 LEU 39 -7.274 -0.569 -7.965 296 HD22 LEU 39 1HD2 LEU 39 -8.214 0.823 -7.404 297 HD23 LEU 39 2HD2 LEU 39 -9.005 -0.759 -7.675 298 H TYR 40 H TYR 40 -6.004 -1.456 -12.031 299 HA TYR 40 HA TYR 40 -4.747 1.076 -12.362 300 HB2 TYR 40 1HB TYR 40 -3.615 -0.881 -11.504 301 HB3 TYR 40 2HB TYR 40 -3.903 -1.764 -13.001 302 HD1 TYR 40 1HD TYR 40 -2.524 1.633 -12.085 303 HD2 TYR 40 2HD TYR 40 -1.971 -2.036 -14.290 304 HE1 TYR 40 1HE TYR 40 -0.398 2.513 -13.020 305 HE2 TYR 40 2HE TYR 40 0.157 -1.155 -15.226 306 HH TYR 40 HH TYR 40 1.465 0.846 -15.504 307 H GLY 41 H GLY 41 -5.929 -1.305 -14.813 308 HA2 GLY 41 1HA GLY 41 -4.823 0.228 -17.028 309 HA3 GLY 41 2HA GLY 41 -5.837 -1.212 -17.116 310 H ASN 42 H ASN 42 -7.821 0.438 -15.315 311 HA ASN 42 HA ASN 42 -9.120 1.868 -17.608 312 HB2 ASN 42 1HB ASN 42 -10.112 -0.256 -16.730 313 HB3 ASN 42 2HB ASN 42 -10.328 0.523 -15.158 314 HD21 ASN 42 1HD2 ASN 42 -12.257 1.568 -14.829 315 HD22 ASN 42 2HD2 ASN 42 -13.326 2.022 -16.173 316 H THR 43 H THR 43 -8.222 2.273 -14.204 317 HA THR 43 HA THR 43 -9.748 4.836 -14.118 318 HB THR 43 HB THR 43 -9.077 2.907 -11.878 319 HG1 THR 43 1HG THR 43 -11.636 2.943 -12.479 320 HG21 THR 43 3HG2 THR 43 -11.060 5.204 -12.081 321 HG22 THR 43 1HG2 THR 43 -11.037 4.000 -10.762 322 HG23 THR 43 2HG2 THR 43 -9.660 5.077 -10.992 323 H ALA 44 H ALA 44 -6.562 3.488 -13.544 324 HA ALA 44 HA ALA 44 -5.639 5.445 -11.674 325 HB1 ALA 44 3HB ALA 44 -4.072 3.582 -13.464 326 HB2 ALA 44 1HB ALA 44 -3.498 4.347 -11.972 327 HB3 ALA 44 2HB ALA 44 -4.798 3.148 -11.885 328 H ASP 45 H ASP 45 -6.737 6.795 -13.941 329 HA ASP 45 HA ASP 45 -4.900 7.702 -15.878 330 HB2 ASP 45 1HB ASP 45 -7.371 7.797 -15.973 331 HB3 ASP 45 2HB ASP 45 -7.378 9.031 -14.712 332 H GLU 46 H GLU 46 -5.880 9.321 -12.888 333 HA GLU 46 HA GLU 46 -3.411 11.025 -12.985 334 HB2 GLU 46 1HB GLU 46 -5.605 12.178 -13.515 335 HB3 GLU 46 2HB GLU 46 -6.127 11.814 -11.871 336 HG2 GLU 46 1HG GLU 46 -5.306 14.093 -11.971 337 HG3 GLU 46 2HG GLU 46 -4.177 13.159 -11.004 338 H ILE 47 H ILE 47 -3.079 8.728 -11.978 339 HA ILE 47 HA ILE 47 -3.889 8.115 -9.382 340 HB ILE 47 HB ILE 47 -3.072 6.509 -10.957 341 HG12 ILE 47 1HG1 ILE 47 -1.476 5.185 -9.559 342 HG13 ILE 47 2HG1 ILE 47 -1.346 6.548 -8.446 343 HG21 ILE 47 1HG2 ILE 47 -0.228 7.489 -10.583 344 HG22 ILE 47 2HG2 ILE 47 -0.835 6.219 -11.670 345 HG23 ILE 47 3HG2 ILE 47 -1.222 7.903 -11.993 346 HD11 ILE 47 3HD1 ILE 47 -2.976 4.761 -7.764 347 HD12 ILE 47 1HD1 ILE 47 -3.720 6.361 -7.880 348 HD13 ILE 47 2HD1 ILE 47 -3.972 5.160 -9.173 349 H ILE 48 H ILE 48 -3.385 8.636 -7.430 350 HA ILE 48 HA ILE 48 -1.203 10.556 -6.853 351 HB ILE 48 HB ILE 48 -3.781 10.085 -5.310 352 HG12 ILE 48 1HG1 ILE 48 -4.522 10.950 -7.415 353 HG13 ILE 48 2HG1 ILE 48 -4.675 12.186 -6.185 354 HG21 ILE 48 1HG2 ILE 48 -3.251 12.094 -4.111 355 HG22 ILE 48 2HG2 ILE 48 -1.824 11.048 -4.056 356 HG23 ILE 48 3HG2 ILE 48 -1.850 12.425 -5.158 357 HD11 ILE 48 3HD1 ILE 48 -2.661 13.339 -7.041 358 HD12 ILE 48 1HD1 ILE 48 -2.432 12.045 -8.252 359 HD13 ILE 48 2HD1 ILE 48 -3.835 13.101 -8.338 360 H LYS 49 H LYS 49 -3.160 7.863 -5.425 361 HA LYS 49 HA LYS 49 -0.655 6.735 -4.346 362 HB2 LYS 49 1HB LYS 49 -3.137 7.030 -2.606 363 HB3 LYS 49 2HB LYS 49 -1.634 6.222 -2.183 364 HG2 LYS 49 1HG LYS 49 -0.451 8.443 -2.448 365 HG3 LYS 49 2HG LYS 49 -2.052 9.199 -2.616 366 HD2 LYS 49 1HD LYS 49 -2.716 8.178 -0.409 367 HD3 LYS 49 2HD LYS 49 -1.056 7.546 -0.251 368 HE2 LYS 49 1HE LYS 49 -0.226 9.920 -0.549 369 HE3 LYS 49 2HE LYS 49 -1.917 10.461 -0.442 370 HZ1 LYS 49 3HZ LYS 49 -0.130 9.642 1.614 371 HZ2 LYS 49 1HZ LYS 49 -1.484 10.522 1.740 372 HZ3 LYS 49 2HZ LYS 49 -1.575 8.843 1.724 373 H LEU 50 H LEU 50 -0.711 4.543 -3.996 374 HA LEU 50 HA LEU 50 -3.287 3.290 -3.815 375 HB2 LEU 50 1HB LEU 50 -3.347 1.877 -5.565 376 HB3 LEU 50 2HB LEU 50 -2.516 3.207 -6.297 377 HG LEU 50 HG LEU 50 -0.340 1.732 -5.503 378 HD11 LEU 50 1HD1 LEU 50 -0.880 -0.648 -6.109 379 HD12 LEU 50 2HD1 LEU 50 -1.630 -0.127 -4.595 380 HD13 LEU 50 3HD1 LEU 50 -2.599 -0.224 -6.081 381 HD21 LEU 50 3HD2 LEU 50 -0.276 0.922 -7.844 382 HD22 LEU 50 1HD2 LEU 50 -2.007 1.305 -8.020 383 HD23 LEU 50 2HD2 LEU 50 -0.820 2.607 -7.799 384 H ARG 51 H ARG 51 -3.337 1.505 -2.597 385 HA ARG 51 HA ARG 51 -0.835 0.332 -1.528 386 HB2 ARG 51 1HB ARG 51 -1.801 2.164 -0.005 387 HB3 ARG 51 2HB ARG 51 -3.153 1.095 0.284 388 HG2 ARG 51 1HG ARG 51 -1.695 -0.661 1.160 389 HG3 ARG 51 2HG ARG 51 -0.261 0.246 0.677 390 HD2 ARG 51 1HD ARG 51 -0.538 0.530 3.034 391 HD3 ARG 51 2HD ARG 51 -0.875 2.071 2.257 392 HE ARG 51 HE ARG 51 -2.892 0.154 3.379 393 HH11 ARG 51 2HH2 ARG 51 -2.278 3.459 2.367 394 HH12 ARG 51 1HH2 ARG 51 -3.740 4.063 3.102 395 HH21 ARG 51 1HH1 ARG 51 -4.743 0.970 4.288 396 HH22 ARG 51 2HH1 ARG 51 -5.097 2.663 4.174 397 H LEU 52 H LEU 52 -0.990 -1.526 -2.472 398 HA LEU 52 HA LEU 52 -3.488 -3.111 -2.290 399 HB2 LEU 52 1HB LEU 52 -2.692 -2.785 -4.510 400 HB3 LEU 52 2HB LEU 52 -1.073 -3.314 -4.114 401 HG LEU 52 HG LEU 52 -3.407 -5.230 -3.726 402 HD11 LEU 52 1HD1 LEU 52 -3.220 -5.945 -6.026 403 HD12 LEU 52 2HD1 LEU 52 -3.565 -4.218 -6.029 404 HD13 LEU 52 3HD1 LEU 52 -1.918 -4.771 -6.349 405 HD21 LEU 52 3HD2 LEU 52 -0.520 -5.602 -4.597 406 HD22 LEU 52 1HD2 LEU 52 -1.138 -6.009 -2.984 407 HD23 LEU 52 2HD2 LEU 52 -1.687 -6.911 -4.400 408 H ASP 53 H ASP 53 -3.540 -4.980 -1.271 409 HA ASP 53 HA ASP 53 -1.199 -5.903 0.327 410 HB2 ASP 53 1HB ASP 53 -2.532 -4.026 1.453 411 HB3 ASP 53 2HB ASP 53 -3.933 -5.100 1.450 412 H LYS 54 H LYS 54 -1.144 -8.116 0.181 413 HA LYS 54 HA LYS 54 -3.680 -9.583 -0.237 414 HB2 LYS 54 1HB LYS 54 -2.438 -11.496 -0.402 415 HB3 LYS 54 2HB LYS 54 -1.327 -10.290 -0.998 416 HG2 LYS 54 1HG LYS 54 0.044 -11.579 0.325 417 HG3 LYS 54 2HG LYS 54 -0.357 -10.264 1.461 418 HD2 LYS 54 1HD LYS 54 -2.162 -11.752 2.448 419 HD3 LYS 54 2HD LYS 54 -1.869 -12.881 1.129 420 HE2 LYS 54 1HE LYS 54 0.559 -12.900 2.331 421 HE3 LYS 54 2HE LYS 54 -0.490 -12.433 3.690 422 HZ1 LYS 54 3HZ LYS 54 -1.911 -14.290 2.230 423 HZ2 LYS 54 1HZ LYS 54 -0.355 -14.937 2.306 424 HZ3 LYS 54 2HZ LYS 54 -1.150 -14.636 3.669 425 H VAL 55 H VAL 55 -5.184 -9.702 1.172 426 HA VAL 55 HA VAL 55 -4.713 -8.131 3.475 427 HB VAL 55 HB VAL 55 -7.020 -8.145 3.864 428 HG11 VAL 55 1HG1 VAL 55 -6.256 -6.989 1.847 429 HG12 VAL 55 2HG1 VAL 55 -6.736 -8.417 0.898 430 HG13 VAL 55 3HG1 VAL 55 -7.960 -7.500 1.773 431 HG21 VAL 55 3HG2 VAL 55 -8.606 -9.650 2.623 432 HG22 VAL 55 1HG2 VAL 55 -7.215 -10.703 2.256 433 HG23 VAL 55 2HG2 VAL 55 -7.707 -10.423 3.942 434 H LEU 56 H LEU 56 -5.357 -8.441 5.510 435 HA LEU 56 HA LEU 56 -5.030 -11.138 6.740 436 HB2 LEU 56 1HB LEU 56 -3.410 -9.393 7.446 437 HB3 LEU 56 2HB LEU 56 -4.753 -8.330 7.884 438 HG LEU 56 HG LEU 56 -5.462 -9.952 9.642 439 HD11 LEU 56 1HD1 LEU 56 -3.784 -11.729 10.303 440 HD12 LEU 56 2HD1 LEU 56 -4.593 -12.067 8.763 441 HD13 LEU 56 3HD1 LEU 56 -2.931 -11.432 8.770 442 HD21 LEU 56 3HD2 LEU 56 -2.515 -9.293 9.953 443 HD22 LEU 56 1HD2 LEU 56 -3.769 -8.029 9.951 444 HD23 LEU 56 2HD2 LEU 56 -3.809 -9.301 11.188 445 H1 MET 1 1H MET 1 -2.074 14.851 3.951 446 H2 MET 1 2H MET 1 -1.723 13.260 3.677 447 H3 MET 1 3H MET 1 -2.525 14.123 2.527 448 HA MET 1 HA MET 1 -0.644 15.453 2.075 449 HB2 MET 1 1HB MET 1 1.460 15.216 3.202 450 HB3 MET 1 2HB MET 1 0.227 15.523 4.424 451 HG2 MET 1 1HG MET 1 1.418 12.791 3.753 452 HG3 MET 1 2HG MET 1 1.862 13.810 5.111 453 HE1 MET 1 3HE MET 1 1.271 10.938 5.552 454 HE2 MET 1 1HE MET 1 1.602 12.151 6.820 455 HE3 MET 1 2HE MET 1 0.240 11.011 7.015 456 H VAL 2 H VAL 2 1.125 14.789 0.731 457 HA VAL 2 HA VAL 2 1.174 11.926 -0.041 458 HB VAL 2 HB VAL 2 1.305 14.316 -1.935 459 HG11 VAL 2 1HG1 VAL 2 0.969 12.579 -3.683 460 HG12 VAL 2 2HG1 VAL 2 2.465 12.333 -2.811 461 HG13 VAL 2 3HG1 VAL 2 1.053 11.307 -2.444 462 HG21 VAL 2 3HG2 VAL 2 -0.922 13.575 -2.784 463 HG22 VAL 2 1HG2 VAL 2 -1.039 12.419 -1.441 464 HG23 VAL 2 2HG2 VAL 2 -1.026 14.172 -1.133 465 H GLN 3 H GLN 3 3.257 11.359 -1.019 466 HA GLN 3 HA GLN 3 5.481 12.063 0.490 467 HB2 GLN 3 1HB GLN 3 5.222 10.956 -2.331 468 HB3 GLN 3 2HB GLN 3 6.735 10.969 -1.428 469 HG2 GLN 3 1HG GLN 3 4.208 9.521 -0.517 470 HG3 GLN 3 2HG GLN 3 5.543 8.784 -1.406 471 HE21 GLN 3 1HE2 GLN 3 7.163 7.804 -0.209 472 HE22 GLN 3 2HE2 GLN 3 7.419 8.250 1.504 473 H ASN 4 H ASN 4 6.915 13.585 0.483 474 HA ASN 4 HA ASN 4 7.288 15.390 -1.867 475 HB2 ASN 4 1HB ASN 4 5.506 16.134 -0.185 476 HB3 ASN 4 2HB ASN 4 6.811 16.300 0.999 477 HD21 ASN 4 1HD2 ASN 4 7.487 18.420 1.163 478 HD22 ASN 4 2HD2 ASN 4 7.476 19.522 -0.223 479 H ASP 5 H ASP 5 8.898 13.399 0.193 480 HA ASP 5 HA ASP 5 11.159 15.231 0.804 481 HB2 ASP 5 1HB ASP 5 10.068 13.900 2.611 482 HB3 ASP 5 2HB ASP 5 10.577 12.419 1.794 483 H PHE 6 H PHE 6 10.510 12.119 -0.741 484 HA PHE 6 HA PHE 6 13.156 11.757 -1.894 485 HB2 PHE 6 1HB PHE 6 10.463 10.655 -2.781 486 HB3 PHE 6 2HB PHE 6 12.033 10.016 -3.249 487 HD1 PHE 6 2HD PHE 6 13.316 10.195 -0.356 488 HD2 PHE 6 1HD PHE 6 9.602 8.629 -1.924 489 HE1 PHE 6 2HE PHE 6 13.237 8.558 1.471 490 HE2 PHE 6 1HE PHE 6 9.548 6.957 -0.106 491 HZ PHE 6 HZ PHE 6 11.363 6.923 1.615 492 H VAL 7 H VAL 7 11.220 14.150 -2.444 493 HA VAL 7 HA VAL 7 9.975 14.684 -4.546 494 HB VAL 7 HB VAL 7 10.646 16.234 -2.886 495 HG11 VAL 7 1HG1 VAL 7 13.120 15.926 -2.891 496 HG12 VAL 7 2HG1 VAL 7 13.200 16.826 -4.416 497 HG13 VAL 7 3HG1 VAL 7 12.604 17.619 -2.955 498 HG21 VAL 7 3HG2 VAL 7 10.471 18.234 -4.223 499 HG22 VAL 7 1HG2 VAL 7 10.993 17.348 -5.678 500 HG23 VAL 7 2HG2 VAL 7 9.445 16.950 -4.892 501 H ASP 8 H ASP 8 10.260 13.238 -6.213 502 HA ASP 8 HA ASP 8 11.967 14.287 -8.390 503 HB2 ASP 8 1HB ASP 8 13.363 12.645 -7.076 504 HB3 ASP 8 2HB ASP 8 12.193 11.388 -7.439 505 H SER 9 H SER 9 10.335 11.177 -7.902 506 HA SER 9 HA SER 9 7.888 11.760 -9.243 507 HB2 SER 9 1HB SER 9 9.613 11.696 -11.175 508 HB3 SER 9 2HB SER 9 9.746 9.964 -10.821 509 HG SER 9 HG SER 9 8.097 10.037 -12.197 510 H TYR 10 H TYR 10 7.161 9.327 -10.003 511 HA TYR 10 HA TYR 10 5.896 8.573 -7.714 512 HB2 TYR 10 1HB TYR 10 6.450 6.928 -10.185 513 HB3 TYR 10 2HB TYR 10 5.516 6.284 -8.854 514 HD1 TYR 10 1HD TYR 10 5.519 8.910 -11.506 515 HD2 TYR 10 2HD TYR 10 3.387 7.114 -8.231 516 HE1 TYR 10 1HE TYR 10 3.451 10.155 -12.160 517 HE2 TYR 10 2HE TYR 10 1.315 8.335 -8.891 518 HH TYR 10 HH TYR 10 0.363 9.890 -10.290 519 H ASP 11 H ASP 11 6.079 7.508 -5.963 520 HA ASP 11 HA ASP 11 8.567 6.014 -5.290 521 HB2 ASP 11 1HB ASP 11 8.206 7.864 -3.849 522 HB3 ASP 11 2HB ASP 11 6.488 7.494 -3.673 523 H VAL 12 H VAL 12 8.191 4.015 -6.153 524 HA VAL 12 HA VAL 12 5.798 2.514 -5.251 525 HB VAL 12 HB VAL 12 8.168 1.620 -6.949 526 HG11 VAL 12 1HG1 VAL 12 6.679 -0.359 -7.375 527 HG12 VAL 12 2HG1 VAL 12 7.194 -0.276 -5.693 528 HG13 VAL 12 3HG1 VAL 12 5.552 0.239 -6.165 529 HG21 VAL 12 3HG2 VAL 12 5.279 2.098 -7.728 530 HG22 VAL 12 1HG2 VAL 12 6.574 3.256 -8.073 531 HG23 VAL 12 2HG2 VAL 12 6.617 1.643 -8.806 532 H THR 13 H THR 13 5.862 1.286 -3.522 533 HA THR 13 HA THR 13 8.461 0.313 -2.421 534 HB THR 13 HB THR 13 6.279 1.604 -0.746 535 HG1 THR 13 1HG THR 13 7.916 2.981 -1.951 536 HG21 THR 13 3HG2 THR 13 8.969 0.366 0.016 537 HG22 THR 13 1HG2 THR 13 7.940 1.321 1.101 538 HG23 THR 13 2HG2 THR 13 7.362 -0.241 0.489 539 H MET 14 H MET 14 8.128 -1.678 -3.251 540 HA MET 14 HA MET 14 5.609 -3.116 -2.523 541 HB2 MET 14 1HB MET 14 5.935 -2.606 -4.909 542 HB3 MET 14 2HB MET 14 7.503 -3.385 -4.901 543 HG2 MET 14 1HG MET 14 6.480 -5.566 -4.524 544 HG3 MET 14 2HG MET 14 4.903 -4.823 -4.249 545 HE1 MET 14 3HE MET 14 7.031 -5.591 -8.241 546 HE2 MET 14 1HE MET 14 7.815 -4.650 -6.945 547 HE3 MET 14 2HE MET 14 7.364 -6.348 -6.667 548 H LEU 15 H LEU 15 5.859 -5.447 -2.119 549 HA LEU 15 HA LEU 15 8.583 -6.430 -1.882 550 HB2 LEU 15 1HB LEU 15 8.594 -7.028 0.417 551 HB3 LEU 15 2HB LEU 15 8.149 -5.346 0.332 552 HG LEU 15 HG LEU 15 5.638 -6.468 0.375 553 HD11 LEU 15 1HD1 LEU 15 6.530 -8.803 0.643 554 HD12 LEU 15 2HD1 LEU 15 7.452 -8.275 2.054 555 HD13 LEU 15 3HD1 LEU 15 5.686 -8.265 2.110 556 HD21 LEU 15 3HD2 LEU 15 5.627 -5.956 2.779 557 HD22 LEU 15 1HD2 LEU 15 7.403 -5.956 2.800 558 HD23 LEU 15 2HD2 LEU 15 6.522 -4.705 1.893 559 H LEU 16 H LEU 16 8.745 -8.624 -1.585 560 HA LEU 16 HA LEU 16 6.363 -10.249 -2.312 561 HB2 LEU 16 1HB LEU 16 8.775 -9.699 -3.888 562 HB3 LEU 16 2HB LEU 16 8.767 -11.381 -3.434 563 HG LEU 16 HG LEU 16 7.785 -11.118 -5.583 564 HD11 LEU 16 1HD1 LEU 16 5.789 -12.364 -5.339 565 HD12 LEU 16 2HD1 LEU 16 6.861 -12.882 -4.050 566 HD13 LEU 16 3HD1 LEU 16 5.492 -11.777 -3.697 567 HD21 LEU 16 3HD2 LEU 16 6.967 -8.759 -5.278 568 HD22 LEU 16 1HD2 LEU 16 5.806 -9.847 -6.061 569 HD23 LEU 16 2HD2 LEU 16 5.592 -9.402 -4.355 570 H GLN 17 H GLN 17 7.048 -12.628 -2.135 571 HA GLN 17 HA GLN 17 8.771 -13.120 0.216 572 HB2 GLN 17 1HB GLN 17 6.324 -13.158 0.832 573 HB3 GLN 17 2HB GLN 17 6.119 -14.505 -0.303 574 HG2 GLN 17 1HG GLN 17 7.828 -15.799 1.009 575 HG3 GLN 17 2HG GLN 17 7.973 -14.437 2.130 576 HE21 GLN 17 1HE2 GLN 17 6.116 -17.256 1.257 577 HE22 GLN 17 2HE2 GLN 17 4.886 -17.008 2.509 578 H ASP 18 H ASP 18 10.152 -14.710 -0.042 579 HA ASP 18 HA ASP 18 10.539 -15.987 -2.623 580 HB2 ASP 18 1HB ASP 18 12.268 -15.095 -0.894 581 HB3 ASP 18 2HB ASP 18 11.921 -16.552 0.034 582 H ASP 19 H ASP 19 10.825 -18.352 -2.781 583 HA ASP 19 HA ASP 19 8.649 -19.967 -1.733 584 HB2 ASP 19 1HB ASP 19 9.751 -20.273 -3.952 585 HB3 ASP 19 2HB ASP 19 11.250 -20.714 -3.129 586 H ASP 20 H ASP 20 11.975 -19.226 -0.748 587 HA ASP 20 HA ASP 20 12.183 -21.241 1.321 588 HB2 ASP 20 1HB ASP 20 14.035 -19.950 0.146 589 HB3 ASP 20 2HB ASP 20 13.564 -18.538 1.096 590 H GLY 21 H GLY 21 10.126 -18.576 1.106 591 HA2 GLY 21 1HA GLY 21 8.478 -18.032 2.634 592 HA3 GLY 21 2HA GLY 21 9.369 -18.854 3.923 593 H LYS 22 H LYS 22 11.489 -16.721 2.434 594 HA LYS 22 HA LYS 22 11.052 -14.731 4.608 595 HB2 LYS 22 1HB LYS 22 13.238 -13.885 4.072 596 HB3 LYS 22 2HB LYS 22 13.304 -15.617 4.424 597 HG2 LYS 22 1HG LYS 22 13.660 -16.207 2.141 598 HG3 LYS 22 2HG LYS 22 13.134 -14.620 1.548 599 HD2 LYS 22 1HD LYS 22 15.024 -13.521 2.720 600 HD3 LYS 22 2HD LYS 22 15.635 -15.120 3.211 601 HE2 LYS 22 1HE LYS 22 14.895 -14.844 0.326 602 HE3 LYS 22 2HE LYS 22 16.208 -13.774 0.833 603 HZ1 LYS 22 3HZ LYS 22 16.116 -16.730 1.173 604 HZ2 LYS 22 1HZ LYS 22 17.092 -15.890 0.136 605 HZ3 LYS 22 2HZ LYS 22 17.308 -15.771 1.773 606 H GLN 23 H GLN 23 10.784 -12.575 4.258 607 HA GLN 23 HA GLN 23 9.573 -11.841 1.665 608 HB2 GLN 23 1HB GLN 23 9.756 -10.464 4.365 609 HB3 GLN 23 2HB GLN 23 9.145 -9.661 2.905 610 HG2 GLN 23 1HG GLN 23 7.449 -11.429 2.594 611 HG3 GLN 23 2HG GLN 23 8.023 -12.261 4.048 612 HE21 GLN 23 1HE2 GLN 23 5.534 -11.897 4.345 613 HE22 GLN 23 2HE2 GLN 23 5.160 -10.409 5.238 614 H TYR 24 H TYR 24 10.272 -10.170 0.381 615 HA TYR 24 HA TYR 24 12.764 -8.787 1.119 616 HB2 TYR 24 1HB TYR 24 13.887 -9.276 -0.966 617 HB3 TYR 24 2HB TYR 24 13.576 -10.745 -0.060 618 HD1 TYR 24 2HD TYR 24 12.724 -8.807 -3.095 619 HD2 TYR 24 1HD TYR 24 11.981 -12.444 -0.873 620 HE1 TYR 24 2HE TYR 24 11.784 -9.839 -5.122 621 HE2 TYR 24 1HE TYR 24 11.055 -13.496 -2.942 622 HH TYR 24 HH TYR 24 11.114 -11.844 -6.076 623 H TYR 25 H TYR 25 13.023 -6.833 0.233 624 HA TYR 25 HA TYR 25 10.488 -5.599 -0.618 625 HB2 TYR 25 1HB TYR 25 13.021 -4.630 0.726 626 HB3 TYR 25 2HB TYR 25 11.881 -3.502 0.025 627 HD1 TYR 25 1HD TYR 25 12.106 -6.282 2.551 628 HD2 TYR 25 2HD TYR 25 9.915 -2.848 1.122 629 HE1 TYR 25 1HE TYR 25 10.756 -6.276 4.633 630 HE2 TYR 25 2HE TYR 25 8.591 -2.822 3.224 631 HH TYR 25 HH TYR 25 8.123 -4.924 5.294 632 H GLU 26 H GLU 26 10.304 -4.071 -2.092 633 HA GLU 26 HA GLU 26 12.352 -3.638 -4.196 634 HB2 GLU 26 1HB GLU 26 9.437 -4.474 -4.468 635 HB3 GLU 26 2HB GLU 26 10.368 -3.799 -5.797 636 HG2 GLU 26 1HG GLU 26 11.028 -6.385 -4.307 637 HG3 GLU 26 2HG GLU 26 10.174 -6.268 -5.840 638 H TYR 27 H TYR 27 12.563 -1.821 -2.675 639 HA TYR 27 HA TYR 27 10.591 0.364 -2.857 640 HB2 TYR 27 1HB TYR 27 11.662 0.139 -0.757 641 HB3 TYR 27 2HB TYR 27 13.248 -0.066 -1.491 642 HD1 TYR 27 2HD TYR 27 10.493 2.548 -1.613 643 HD2 TYR 27 1HD TYR 27 14.706 1.690 -1.221 644 HE1 TYR 27 2HE TYR 27 10.938 4.950 -1.334 645 HE2 TYR 27 1HE TYR 27 15.162 4.118 -0.918 646 HH TYR 27 HH TYR 27 12.577 6.538 -0.727 647 H HIS 28 H HIS 28 10.504 1.584 -4.572 648 HA HIS 28 HA HIS 28 12.906 2.315 -6.157 649 HB2 HIS 28 1HB HIS 28 10.427 0.970 -7.308 650 HB3 HIS 28 2HB HIS 28 11.731 1.709 -8.240 651 HD1 HIS 28 1HD HIS 28 14.138 0.438 -8.156 652 HD2 HIS 28 2HD HIS 28 10.805 -1.490 -6.450 653 HE1 HIS 28 1HE HIS 28 14.787 -2.069 -7.882 654 HE2 HIS 28 2HE HIS 28 12.771 -3.236 -6.829 655 H LYS 29 H LYS 29 12.634 4.401 -5.411 656 HA LYS 29 HA LYS 29 10.212 5.833 -6.379 657 HB2 LYS 29 1HB LYS 29 10.949 7.739 -4.976 658 HB3 LYS 29 2HB LYS 29 10.586 6.277 -4.076 659 HG2 LYS 29 1HG LYS 29 12.472 7.317 -3.107 660 HG3 LYS 29 2HG LYS 29 12.988 5.788 -3.817 661 HD2 LYS 29 1HD LYS 29 14.059 6.950 -5.674 662 HD3 LYS 29 2HD LYS 29 13.410 8.521 -5.123 663 HE2 LYS 29 1HE LYS 29 14.730 8.507 -3.172 664 HE3 LYS 29 2HE LYS 29 14.923 6.751 -3.192 665 HZ1 LYS 29 3HZ LYS 29 16.730 6.905 -4.504 666 HZ2 LYS 29 1HZ LYS 29 16.064 8.057 -5.483 667 HZ3 LYS 29 2HZ LYS 29 16.796 8.489 -4.075 668 H GLY 30 H GLY 30 10.550 8.030 -7.287 669 HA2 GLY 30 1HA GLY 30 11.510 9.458 -8.811 670 HA3 GLY 30 2HA GLY 30 13.065 8.646 -8.600 671 H LEU 31 H LEU 31 9.972 7.214 -9.658 672 HA LEU 31 HA LEU 31 10.966 6.970 -12.425 673 HB2 LEU 31 1HB LEU 31 10.421 4.585 -12.522 674 HB3 LEU 31 2HB LEU 31 11.777 4.969 -11.511 675 HG LEU 31 HG LEU 31 10.509 4.563 -9.471 676 HD11 LEU 31 1HD1 LEU 31 8.199 5.148 -10.085 677 HD12 LEU 31 2HD1 LEU 31 8.157 3.813 -11.270 678 HD13 LEU 31 3HD1 LEU 31 8.295 3.481 -9.534 679 HD21 LEU 31 3HD2 LEU 31 11.665 2.707 -10.654 680 HD22 LEU 31 1HD2 LEU 31 10.216 2.134 -9.791 681 HD23 LEU 31 2HD2 LEU 31 10.171 2.345 -11.542 682 H SER 32 H SER 32 8.795 5.462 -13.489 683 HA SER 32 HA SER 32 6.431 7.052 -12.632 684 HB2 SER 32 1HB SER 32 6.064 7.880 -14.754 685 HB3 SER 32 2HB SER 32 7.786 8.112 -14.520 686 HG SER 32 HG SER 32 8.146 6.003 -15.647 687 H LEU 33 H LEU 33 4.511 6.310 -14.286 688 HA LEU 33 HA LEU 33 3.841 3.806 -13.101 689 HB2 LEU 33 1HB LEU 33 2.468 5.364 -15.334 690 HB3 LEU 33 2HB LEU 33 1.815 3.920 -14.589 691 HG LEU 33 HG LEU 33 0.685 5.624 -13.528 692 HD11 LEU 33 1HD1 LEU 33 1.643 4.002 -11.871 693 HD12 LEU 33 2HD1 LEU 33 2.990 5.138 -11.589 694 HD13 LEU 33 3HD1 LEU 33 1.349 5.609 -11.174 695 HD21 LEU 33 3HD2 LEU 33 2.122 7.521 -14.294 696 HD22 LEU 33 1HD2 LEU 33 1.586 7.655 -12.618 697 HD23 LEU 33 2HD2 LEU 33 3.245 7.162 -12.955 698 H SER 34 H SER 34 4.993 4.507 -16.399 699 HA SER 34 HA SER 34 4.712 1.811 -17.333 700 HB2 SER 34 1HB SER 34 6.465 4.120 -18.248 701 HB3 SER 34 2HB SER 34 6.094 2.648 -19.183 702 HG SER 34 HG SER 34 4.496 3.967 -19.811 703 H ASP 35 H ASP 35 7.049 3.293 -15.243 704 HA ASP 35 HA ASP 35 9.110 1.204 -15.654 705 HB2 ASP 35 1HB ASP 35 8.902 3.416 -13.590 706 HB3 ASP 35 2HB ASP 35 10.328 2.451 -13.959 707 H PHE 36 H PHE 36 6.633 2.241 -13.292 708 HA PHE 36 HA PHE 36 6.911 0.055 -11.451 709 HB2 PHE 36 1HB PHE 36 5.584 1.952 -10.813 710 HB3 PHE 36 2HB PHE 36 4.610 1.845 -12.265 711 HD1 PHE 36 1HD PHE 36 5.587 -0.614 -9.567 712 HD2 PHE 36 2HD PHE 36 2.435 1.114 -11.957 713 HE1 PHE 36 1HE PHE 36 4.005 -2.264 -8.671 714 HE2 PHE 36 2HE PHE 36 0.816 -0.469 -10.965 715 HZ PHE 36 HZ PHE 36 1.595 -2.181 -9.338 716 H GLU 37 H GLU 37 4.984 0.391 -14.469 717 HA GLU 37 HA GLU 37 3.752 -2.117 -14.505 718 HB2 GLU 37 1HB GLU 37 3.431 -0.142 -16.045 719 HB3 GLU 37 2HB GLU 37 4.900 -0.630 -16.900 720 HG2 GLU 37 1HG GLU 37 3.832 -2.814 -17.437 721 HG3 GLU 37 2HG GLU 37 2.389 -2.313 -16.537 722 H VAL 38 H VAL 38 7.066 -1.315 -15.517 723 HA VAL 38 HA VAL 38 7.811 -3.976 -16.407 724 HB VAL 38 HB VAL 38 9.452 -1.604 -15.461 725 HG11 VAL 38 1HG1 VAL 38 10.651 -3.938 -15.234 726 HG12 VAL 38 2HG1 VAL 38 10.654 -3.922 -17.002 727 HG13 VAL 38 3HG1 VAL 38 11.454 -2.620 -16.085 728 HG21 VAL 38 3HG2 VAL 38 8.056 -1.604 -17.714 729 HG22 VAL 38 1HG2 VAL 38 9.730 -1.037 -17.712 730 HG23 VAL 38 2HG2 VAL 38 9.331 -2.674 -18.296 731 H LEU 39 H LEU 39 8.302 -2.225 -13.297 732 HA LEU 39 HA LEU 39 9.610 -4.303 -11.888 733 HB2 LEU 39 1HB LEU 39 9.535 -2.007 -11.124 734 HB3 LEU 39 2HB LEU 39 7.781 -2.052 -10.998 735 HG LEU 39 HG LEU 39 7.898 -3.650 -9.135 736 HD11 LEU 39 1HD1 LEU 39 10.914 -3.366 -9.519 737 HD12 LEU 39 2HD1 LEU 39 10.173 -3.952 -8.010 738 HD13 LEU 39 3HD1 LEU 39 9.957 -4.871 -9.500 739 HD21 LEU 39 3HD2 LEU 39 9.671 -1.215 -8.748 740 HD22 LEU 39 1HD2 LEU 39 7.909 -1.200 -8.848 741 HD23 LEU 39 2HD2 LEU 39 8.698 -2.052 -7.500 742 H TYR 40 H TYR 40 6.105 -3.575 -11.989 743 HA TYR 40 HA TYR 40 5.199 -5.785 -10.424 744 HB2 TYR 40 1HB TYR 40 3.840 -3.823 -10.941 745 HB3 TYR 40 2HB TYR 40 3.885 -4.186 -12.657 746 HD1 TYR 40 2HD TYR 40 2.670 -5.431 -9.344 747 HD2 TYR 40 1HD TYR 40 2.312 -5.707 -13.636 748 HE1 TYR 40 2HE TYR 40 0.620 -6.829 -9.092 749 HE2 TYR 40 1HE TYR 40 0.270 -7.102 -13.380 750 HH TYR 40 HH TYR 40 -1.171 -8.107 -11.953 751 H GLY 41 H GLY 41 5.484 -5.455 -14.037 752 HA2 GLY 41 1HA GLY 41 4.635 -8.076 -14.666 753 HA3 GLY 41 2HA GLY 41 5.631 -7.028 -15.681 754 H ASN 42 H ASN 42 7.812 -7.038 -13.509 755 HA ASN 42 HA ASN 42 9.125 -9.521 -14.374 756 HB2 ASN 42 1HB ASN 42 10.196 -7.252 -14.453 757 HB3 ASN 42 2HB ASN 42 10.090 -7.156 -12.693 758 HD21 ASN 42 1HD2 ASN 42 11.405 -9.258 -15.337 759 HD22 ASN 42 2HD2 ASN 42 12.813 -9.703 -14.358 760 H THR 43 H THR 43 7.403 -8.415 -11.584 761 HA THR 43 HA THR 43 8.848 -10.372 -9.854 762 HB THR 43 HB THR 43 7.543 -7.894 -8.761 763 HG1 THR 43 1HG THR 43 8.828 -6.762 -9.935 764 HG21 THR 43 3HG2 THR 43 9.385 -8.080 -7.121 765 HG22 THR 43 1HG2 THR 43 8.467 -9.593 -7.191 766 HG23 THR 43 2HG2 THR 43 10.043 -9.474 -8.001 767 H ALA 44 H ALA 44 5.628 -9.240 -10.750 768 HA ALA 44 HA ALA 44 4.306 -10.114 -8.375 769 HB1 ALA 44 3HB ALA 44 3.215 -9.370 -11.118 770 HB2 ALA 44 1HB ALA 44 2.294 -9.433 -9.599 771 HB3 ALA 44 2HB ALA 44 3.587 -8.230 -9.807 772 H ASP 45 H ASP 45 5.428 -12.322 -8.631 773 HA ASP 45 HA ASP 45 3.941 -14.434 -9.993 774 HB2 ASP 45 1HB ASP 45 6.213 -14.778 -9.159 775 HB3 ASP 45 2HB ASP 45 5.716 -14.381 -7.512 776 H GLU 46 H GLU 46 4.020 -13.489 -6.611 777 HA GLU 46 HA GLU 46 1.130 -13.085 -6.627 778 HB2 GLU 46 1HB GLU 46 2.666 -14.322 -4.277 779 HB3 GLU 46 2HB GLU 46 1.115 -13.514 -4.122 780 HG2 GLU 46 1HG GLU 46 0.412 -15.671 -4.235 781 HG3 GLU 46 2HG GLU 46 0.225 -15.162 -5.904 782 H ILE 47 H ILE 47 0.769 -11.410 -4.658 783 HA ILE 47 HA ILE 47 3.209 -9.750 -4.285 784 HB ILE 47 HB ILE 47 0.377 -8.786 -4.783 785 HG12 ILE 47 1HG1 ILE 47 1.756 -9.222 -6.838 786 HG13 ILE 47 2HG1 ILE 47 1.179 -7.573 -6.658 787 HG21 ILE 47 1HG2 ILE 47 2.747 -7.259 -3.645 788 HG22 ILE 47 2HG2 ILE 47 1.420 -6.458 -4.469 789 HG23 ILE 47 3HG2 ILE 47 1.083 -7.396 -3.011 790 HD11 ILE 47 3HD1 ILE 47 3.978 -8.293 -5.745 791 HD12 ILE 47 1HD1 ILE 47 3.612 -7.936 -7.447 792 HD13 ILE 47 2HD1 ILE 47 3.295 -6.709 -6.195 793 H ILE 48 H ILE 48 3.275 -8.771 -2.222 794 HA ILE 48 HA ILE 48 1.496 -10.015 -0.178 795 HB ILE 48 HB ILE 48 4.322 -9.031 0.208 796 HG12 ILE 48 1HG1 ILE 48 4.492 -11.082 -1.049 797 HG13 ILE 48 2HG1 ILE 48 4.969 -11.349 0.617 798 HG21 ILE 48 1HG2 ILE 48 2.301 -10.337 2.082 799 HG22 ILE 48 2HG2 ILE 48 4.032 -10.174 2.459 800 HG23 ILE 48 3HG2 ILE 48 3.035 -8.737 2.230 801 HD11 ILE 48 3HD1 ILE 48 2.409 -12.265 -0.750 802 HD12 ILE 48 1HD1 ILE 48 3.693 -13.254 -0.038 803 HD13 ILE 48 2HD1 ILE 48 2.616 -12.323 1.017 804 H LYS 49 H LYS 49 3.584 -7.130 -0.687 805 HA LYS 49 HA LYS 49 1.235 -5.400 -0.219 806 HB2 LYS 49 1HB LYS 49 3.927 -5.032 1.179 807 HB3 LYS 49 2HB LYS 49 2.629 -3.833 1.119 808 HG2 LYS 49 1HG LYS 49 1.116 -5.472 2.180 809 HG3 LYS 49 2HG LYS 49 2.473 -6.570 2.439 810 HD2 LYS 49 1HD LYS 49 3.632 -4.776 3.742 811 HD3 LYS 49 2HD LYS 49 2.207 -3.742 3.563 812 HE2 LYS 49 1HE LYS 49 2.220 -6.491 4.897 813 HE3 LYS 49 2HE LYS 49 2.365 -4.959 5.770 814 HZ1 LYS 49 3HZ LYS 49 0.033 -5.699 4.068 815 HZ2 LYS 49 1HZ LYS 49 0.037 -5.788 5.698 816 HZ3 LYS 49 2HZ LYS 49 0.164 -4.343 4.903 817 H LEU 50 H LEU 50 1.247 -3.568 -1.318 818 HA LEU 50 HA LEU 50 3.573 -2.714 -2.951 819 HB2 LEU 50 1HB LEU 50 2.640 -4.220 -4.450 820 HB3 LEU 50 2HB LEU 50 1.000 -3.916 -3.912 821 HG LEU 50 HG LEU 50 0.925 -1.779 -5.104 822 HD11 LEU 50 1HD1 LEU 50 3.849 -2.119 -5.260 823 HD12 LEU 50 2HD1 LEU 50 3.105 -1.755 -6.817 824 HD13 LEU 50 3HD1 LEU 50 2.849 -0.653 -5.471 825 HD21 LEU 50 3HD2 LEU 50 2.033 -3.986 -6.870 826 HD22 LEU 50 1HD2 LEU 50 0.377 -3.943 -6.218 827 HD23 LEU 50 2HD2 LEU 50 0.906 -2.675 -7.320 828 H ARG 51 H ARG 51 3.825 -0.772 -2.098 829 HA ARG 51 HA ARG 51 1.492 1.078 -2.034 830 HB2 ARG 51 1HB ARG 51 3.800 0.758 -0.315 831 HB3 ARG 51 2HB ARG 51 4.006 2.264 -1.201 832 HG2 ARG 51 1HG ARG 51 1.509 2.753 -0.531 833 HG3 ARG 51 2HG ARG 51 1.721 1.412 0.605 834 HD2 ARG 51 1HD ARG 51 2.138 3.474 1.772 835 HD3 ARG 51 2HD ARG 51 3.679 2.629 1.596 836 HE ARG 51 HE ARG 51 2.788 4.955 -0.164 837 HH11 ARG 51 2HH2 ARG 51 5.550 3.418 1.454 838 HH12 ARG 51 1HH2 ARG 51 6.642 4.404 0.495 839 HH21 ARG 51 1HH1 ARG 51 4.088 6.053 -1.109 840 HH22 ARG 51 2HH1 ARG 51 5.873 5.980 -0.934 841 H LEU 52 H LEU 52 1.420 2.821 -3.304 842 HA LEU 52 HA LEU 52 3.804 3.720 -4.733 843 HB2 LEU 52 1HB LEU 52 2.872 2.309 -6.381 844 HB3 LEU 52 2HB LEU 52 1.248 2.924 -6.128 845 HG LEU 52 HG LEU 52 3.388 4.813 -7.116 846 HD11 LEU 52 1HD1 LEU 52 2.765 4.195 -9.423 847 HD12 LEU 52 2HD1 LEU 52 3.515 2.843 -8.587 848 HD13 LEU 52 3HD1 LEU 52 1.757 2.856 -8.796 849 HD21 LEU 52 3HD2 LEU 52 0.827 5.097 -8.429 850 HD22 LEU 52 1HD2 LEU 52 0.499 4.960 -6.695 851 HD23 LEU 52 2HD2 LEU 52 1.595 6.214 -7.287 852 H ASP 53 H ASP 53 3.937 5.894 -4.642 853 HA ASP 53 HA ASP 53 1.451 7.524 -4.297 854 HB2 ASP 53 1HB ASP 53 4.087 7.800 -2.815 855 HB3 ASP 53 2HB ASP 53 2.940 9.123 -2.968 856 H LYS 54 H LYS 54 1.403 9.317 -5.705 857 HA LYS 54 HA LYS 54 3.659 9.812 -7.472 858 HB2 LYS 54 1HB LYS 54 2.576 11.740 -8.195 859 HB3 LYS 54 2HB LYS 54 1.302 10.559 -7.910 860 HG2 LYS 54 1HG LYS 54 0.732 11.623 -5.768 861 HG3 LYS 54 2HG LYS 54 2.014 12.830 -5.983 862 HD2 LYS 54 1HD LYS 54 -0.264 12.428 -7.944 863 HD3 LYS 54 2HD LYS 54 -0.293 13.619 -6.622 864 HE2 LYS 54 1HE LYS 54 1.636 14.792 -7.546 865 HE3 LYS 54 2HE LYS 54 1.891 13.529 -8.742 866 HZ1 LYS 54 3HZ LYS 54 -0.210 14.097 -9.757 867 HZ2 LYS 54 1HZ LYS 54 -0.434 15.330 -8.677 868 HZ3 LYS 54 2HZ LYS 54 0.857 15.356 -9.725 869 H VAL 55 H VAL 55 5.155 11.397 -7.475 870 HA VAL 55 HA VAL 55 5.509 13.098 -5.088 871 HB VAL 55 HB VAL 55 7.939 11.955 -6.411 872 HG11 VAL 55 1HG1 VAL 55 7.433 12.601 -3.463 873 HG12 VAL 55 2HG1 VAL 55 9.011 12.291 -4.221 874 HG13 VAL 55 3HG1 VAL 55 8.093 13.758 -4.604 875 HG21 VAL 55 3HG2 VAL 55 6.770 9.869 -5.824 876 HG22 VAL 55 1HG2 VAL 55 8.153 10.106 -4.768 877 HG23 VAL 55 2HG2 VAL 55 6.513 10.450 -4.170 878 H LEU 56 H LEU 56 4.839 13.148 -7.792 879 HA LEU 56 HA LEU 56 5.541 15.855 -8.622 880 HB2 LEU 56 1HB LEU 56 7.510 14.676 -9.482 881 HB3 LEU 56 2HB LEU 56 6.494 13.460 -10.262 882 HG LEU 56 HG LEU 56 5.614 15.194 -11.812 883 HD11 LEU 56 1HD1 LEU 56 6.951 17.369 -11.934 884 HD12 LEU 56 2HD1 LEU 56 5.845 17.240 -10.548 885 HD13 LEU 56 3HD1 LEU 56 7.593 16.976 -10.319 886 HD21 LEU 56 3HD2 LEU 56 8.650 15.212 -11.807 887 HD22 LEU 56 1HD2 LEU 56 7.704 13.770 -12.227 888 HD23 LEU 56 2HD2 LEU 56 7.532 15.245 -13.202 Start of MODEL 20 1 H1 MET 1 1H MET 1 -26.037 -2.431 0.927 2 H2 MET 1 2H MET 1 -26.401 -0.802 1.120 3 H3 MET 1 3H MET 1 -26.514 -1.841 2.389 4 HA MET 1 HA MET 1 -24.402 -0.323 1.761 5 HB2 MET 1 1HB MET 1 -25.244 -1.104 3.968 6 HB3 MET 1 2HB MET 1 -24.637 -2.745 3.615 7 HG2 MET 1 1HG MET 1 -23.051 -1.360 4.957 8 HG3 MET 1 2HG MET 1 -22.394 -1.896 3.412 9 HE1 MET 1 3HE MET 1 -21.210 0.193 5.170 10 HE2 MET 1 1HE MET 1 -20.681 -0.601 3.674 11 HE3 MET 1 2HE MET 1 -20.529 1.189 3.812 12 H VAL 2 H VAL 2 -22.624 -0.478 0.602 13 HA VAL 2 HA VAL 2 -21.982 -2.907 -0.866 14 HB VAL 2 HB VAL 2 -20.075 -1.569 -1.720 15 HG11 VAL 2 1HG1 VAL 2 -21.416 0.002 -3.009 16 HG12 VAL 2 2HG1 VAL 2 -22.259 -1.544 -2.833 17 HG13 VAL 2 3HG1 VAL 2 -22.753 -0.144 -1.851 18 HG21 VAL 2 3HG2 VAL 2 -19.276 0.067 -0.375 19 HG22 VAL 2 1HG2 VAL 2 -20.559 1.063 -1.082 20 HG23 VAL 2 2HG2 VAL 2 -20.789 0.303 0.492 21 H GLN 3 H GLN 3 -19.950 -3.845 -0.870 22 HA GLN 3 HA GLN 3 -18.434 -5.201 0.143 23 HB2 GLN 3 1HB GLN 3 -17.343 -3.047 -0.446 24 HB3 GLN 3 2HB GLN 3 -17.576 -2.474 1.205 25 HG2 GLN 3 1HG GLN 3 -15.276 -3.315 0.755 26 HG3 GLN 3 2HG GLN 3 -16.065 -4.193 2.058 27 HE21 GLN 3 1HE2 GLN 3 -15.356 -4.351 -1.462 28 HE22 GLN 3 2HE2 GLN 3 -15.212 -6.096 -1.477 29 H ASN 4 H ASN 4 -20.534 -5.717 1.405 30 HA ASN 4 HA ASN 4 -21.044 -4.921 3.976 31 HB2 ASN 4 1HB ASN 4 -22.576 -6.084 2.440 32 HB3 ASN 4 2HB ASN 4 -21.637 -7.580 2.596 33 HD21 ASN 4 1HD2 ASN 4 -22.568 -9.035 4.015 34 HD22 ASN 4 2HD2 ASN 4 -23.483 -8.499 5.426 35 H ASP 5 H ASP 5 -18.988 -7.746 3.104 36 HA ASP 5 HA ASP 5 -18.639 -8.345 5.992 37 HB2 ASP 5 1HB ASP 5 -19.345 -10.048 4.237 38 HB3 ASP 5 2HB ASP 5 -17.721 -9.908 3.558 39 H PHE 6 H PHE 6 -17.095 -6.441 3.740 40 HA PHE 6 HA PHE 6 -14.966 -5.895 3.134 41 HB2 PHE 6 1HB PHE 6 -15.277 -5.043 5.542 42 HB3 PHE 6 2HB PHE 6 -14.223 -6.361 6.025 43 HD1 PHE 6 2HD PHE 6 -14.298 -3.689 3.333 44 HD2 PHE 6 1HD PHE 6 -12.044 -5.654 6.437 45 HE1 PHE 6 2HE PHE 6 -12.407 -2.138 2.927 46 HE2 PHE 6 1HE PHE 6 -10.157 -4.075 6.053 47 HZ PHE 6 HZ PHE 6 -10.336 -2.328 4.288 48 H VAL 7 H VAL 7 -15.391 -8.007 2.130 49 HA VAL 7 HA VAL 7 -14.742 -10.408 3.346 50 HB VAL 7 HB VAL 7 -16.451 -9.845 1.589 51 HG11 VAL 7 1HG1 VAL 7 -15.940 -10.119 -0.759 52 HG12 VAL 7 2HG1 VAL 7 -14.958 -8.809 -0.087 53 HG13 VAL 7 3HG1 VAL 7 -14.230 -10.406 -0.397 54 HG21 VAL 7 3HG2 VAL 7 -16.054 -12.166 2.350 55 HG22 VAL 7 1HG2 VAL 7 -16.649 -12.037 0.686 56 HG23 VAL 7 2HG2 VAL 7 -14.944 -12.403 0.974 57 H ASP 8 H ASP 8 -13.477 -12.239 2.482 58 HA ASP 8 HA ASP 8 -10.710 -11.664 2.513 59 HB2 ASP 8 1HB ASP 8 -12.097 -14.216 1.617 60 HB3 ASP 8 2HB ASP 8 -10.440 -14.064 2.220 61 H SER 9 H SER 9 -9.184 -12.499 1.071 62 HA SER 9 HA SER 9 -7.949 -12.491 -0.833 63 HB2 SER 9 1HB SER 9 -10.388 -11.813 -2.508 64 HB3 SER 9 2HB SER 9 -8.748 -12.159 -3.062 65 HG SER 9 HG SER 9 -10.295 -13.966 -1.562 66 H TYR 10 H TYR 10 -7.372 -10.721 -2.580 67 HA TYR 10 HA TYR 10 -5.901 -9.145 -0.884 68 HB2 TYR 10 1HB TYR 10 -6.569 -8.781 -3.824 69 HB3 TYR 10 2HB TYR 10 -5.390 -7.806 -2.991 70 HD1 TYR 10 1HD TYR 10 -6.151 -11.367 -3.959 71 HD2 TYR 10 2HD TYR 10 -3.198 -8.509 -2.637 72 HE1 TYR 10 1HE TYR 10 -4.357 -12.956 -4.564 73 HE2 TYR 10 2HE TYR 10 -1.382 -10.112 -3.274 74 HH TYR 10 HH TYR 10 -2.095 -13.269 -4.761 75 H ASP 11 H ASP 11 -5.787 -7.043 -0.233 76 HA ASP 11 HA ASP 11 -8.158 -5.286 -0.597 77 HB2 ASP 11 1HB ASP 11 -7.345 -5.570 1.696 78 HB3 ASP 11 2HB ASP 11 -5.754 -4.984 1.226 79 H VAL 12 H VAL 12 -8.110 -3.983 -2.274 80 HA VAL 12 HA VAL 12 -5.551 -2.625 -2.953 81 HB VAL 12 HB VAL 12 -8.060 -3.106 -4.599 82 HG11 VAL 12 1HG1 VAL 12 -5.813 -1.124 -5.149 83 HG12 VAL 12 2HG1 VAL 12 -6.989 -1.691 -6.355 84 HG13 VAL 12 3HG1 VAL 12 -7.546 -0.758 -4.966 85 HG21 VAL 12 3HG2 VAL 12 -6.528 -4.085 -6.184 86 HG22 VAL 12 1HG2 VAL 12 -5.121 -3.551 -5.225 87 HG23 VAL 12 2HG2 VAL 12 -6.194 -4.819 -4.609 88 H THR 13 H THR 13 -5.440 -0.570 -2.478 89 HA THR 13 HA THR 13 -7.882 0.995 -1.728 90 HB THR 13 HB THR 13 -5.391 0.610 -0.045 91 HG1 THR 13 1HG THR 13 -6.879 -0.893 0.665 92 HG21 THR 13 3HG2 THR 13 -6.496 2.236 1.533 93 HG22 THR 13 1HG2 THR 13 -5.892 3.007 0.060 94 HG23 THR 13 2HG2 THR 13 -7.629 2.671 0.237 95 H MET 14 H MET 14 -7.907 2.377 -3.408 96 HA MET 14 HA MET 14 -5.353 3.710 -4.180 97 HB2 MET 14 1HB MET 14 -6.295 2.029 -5.749 98 HB3 MET 14 2HB MET 14 -7.760 2.989 -5.893 99 HG2 MET 14 1HG MET 14 -5.188 4.427 -6.404 100 HG3 MET 14 2HG MET 14 -5.555 3.127 -7.522 101 HE1 MET 14 3HE MET 14 -6.875 3.241 -9.464 102 HE2 MET 14 1HE MET 14 -8.298 2.972 -8.430 103 HE3 MET 14 2HE MET 14 -8.342 4.225 -9.693 104 H LEU 15 H LEU 15 -5.581 5.932 -4.986 105 HA LEU 15 HA LEU 15 -8.083 7.298 -4.484 106 HB2 LEU 15 1HB LEU 15 -7.205 8.929 -2.869 107 HB3 LEU 15 2HB LEU 15 -7.203 7.305 -2.230 108 HG LEU 15 HG LEU 15 -4.636 7.398 -3.168 109 HD11 LEU 15 1HD1 LEU 15 -3.666 9.588 -2.625 110 HD12 LEU 15 2HD1 LEU 15 -4.869 9.789 -3.908 111 HD13 LEU 15 3HD1 LEU 15 -5.273 10.235 -2.248 112 HD21 LEU 15 3HD2 LEU 15 -5.559 8.561 -0.524 113 HD22 LEU 15 1HD2 LEU 15 -5.377 6.827 -0.869 114 HD23 LEU 15 2HD2 LEU 15 -3.955 7.886 -0.878 115 H LEU 16 H LEU 16 -8.134 9.385 -5.209 116 HA LEU 16 HA LEU 16 -6.077 10.266 -7.167 117 HB2 LEU 16 1HB LEU 16 -8.982 9.553 -7.704 118 HB3 LEU 16 2HB LEU 16 -8.041 10.538 -8.817 119 HG LEU 16 HG LEU 16 -7.371 7.678 -8.028 120 HD11 LEU 16 1HD1 LEU 16 -8.552 8.760 -10.599 121 HD12 LEU 16 2HD1 LEU 16 -8.155 7.058 -10.229 122 HD13 LEU 16 3HD1 LEU 16 -9.445 7.872 -9.337 123 HD21 LEU 16 3HD2 LEU 16 -5.980 8.038 -10.276 124 HD22 LEU 16 1HD2 LEU 16 -5.989 9.714 -9.763 125 HD23 LEU 16 2HD2 LEU 16 -5.315 8.449 -8.693 126 H GLN 17 H GLN 17 -6.989 12.407 -8.182 127 HA GLN 17 HA GLN 17 -7.885 14.076 -5.892 128 HB2 GLN 17 1HB GLN 17 -5.557 14.396 -6.617 129 HB3 GLN 17 2HB GLN 17 -6.135 14.818 -8.244 130 HG2 GLN 17 1HG GLN 17 -7.341 16.762 -7.292 131 HG3 GLN 17 2HG GLN 17 -6.854 16.296 -5.657 132 HE21 GLN 17 1HE2 GLN 17 -5.881 17.874 -8.641 133 HE22 GLN 17 2HE2 GLN 17 -4.278 18.309 -8.040 134 H ASP 18 H ASP 18 -9.557 15.298 -6.081 135 HA ASP 18 HA ASP 18 -11.377 15.065 -8.336 136 HB2 ASP 18 1HB ASP 18 -11.972 14.995 -5.844 137 HB3 ASP 18 2HB ASP 18 -11.521 16.703 -5.763 138 H ASP 19 H ASP 19 -12.412 17.024 -9.147 139 HA ASP 19 HA ASP 19 -10.642 18.925 -10.323 140 HB2 ASP 19 1HB ASP 19 -12.842 18.185 -11.200 141 HB3 ASP 19 2HB ASP 19 -13.651 18.950 -9.827 142 H ASP 20 H ASP 20 -12.519 18.987 -7.262 143 HA ASP 20 HA ASP 20 -11.992 21.813 -6.772 144 HB2 ASP 20 1HB ASP 20 -13.888 20.347 -5.870 145 HB3 ASP 20 2HB ASP 20 -12.698 19.624 -4.791 146 H GLY 21 H GLY 21 -9.885 19.254 -6.893 147 HA2 GLY 21 1HA GLY 21 -7.627 19.200 -6.411 148 HA3 GLY 21 2HA GLY 21 -7.793 20.650 -5.390 149 H LYS 22 H LYS 22 -10.070 18.329 -4.590 150 HA LYS 22 HA LYS 22 -8.681 17.585 -2.107 151 HB2 LYS 22 1HB LYS 22 -11.497 17.042 -3.198 152 HB3 LYS 22 2HB LYS 22 -10.899 16.676 -1.610 153 HG2 LYS 22 1HG LYS 22 -10.141 19.404 -1.814 154 HG3 LYS 22 2HG LYS 22 -11.534 19.317 -2.862 155 HD2 LYS 22 1HD LYS 22 -12.274 19.829 -0.641 156 HD3 LYS 22 2HD LYS 22 -12.897 18.285 -1.065 157 HE2 LYS 22 1HE LYS 22 -11.943 17.356 0.750 158 HE3 LYS 22 2HE LYS 22 -10.362 17.646 0.007 159 HZ1 LYS 22 3HZ LYS 22 -11.588 19.483 1.902 160 HZ2 LYS 22 1HZ LYS 22 -9.954 19.218 1.646 161 HZ3 LYS 22 2HZ LYS 22 -10.862 20.090 0.593 162 H GLN 23 H GLN 23 -8.422 15.387 -1.415 163 HA GLN 23 HA GLN 23 -8.096 13.505 -3.679 164 HB2 GLN 23 1HB GLN 23 -7.315 13.321 -0.756 165 HB3 GLN 23 2HB GLN 23 -7.056 12.048 -1.973 166 HG2 GLN 23 1HG GLN 23 -5.743 13.679 -3.352 167 HG3 GLN 23 2HG GLN 23 -5.887 14.873 -2.056 168 HE21 GLN 23 1HE2 GLN 23 -3.389 14.049 -2.972 169 HE22 GLN 23 2HE2 GLN 23 -2.664 13.037 -1.707 170 H TYR 24 H TYR 24 -9.374 11.801 -4.019 171 HA TYR 24 HA TYR 24 -11.366 11.077 -1.933 172 HB2 TYR 24 1HB TYR 24 -13.033 10.638 -3.549 173 HB3 TYR 24 2HB TYR 24 -12.483 12.286 -3.787 174 HD1 TYR 24 2HD TYR 24 -11.053 12.863 -5.778 175 HD2 TYR 24 1HD TYR 24 -12.725 8.915 -5.228 176 HE1 TYR 24 2HE TYR 24 -10.740 12.397 -8.198 177 HE2 TYR 24 1HE TYR 24 -12.377 8.435 -7.642 178 HH TYR 24 HH TYR 24 -10.877 10.820 -9.846 179 H TYR 25 H TYR 25 -11.811 8.924 -1.737 180 HA TYR 25 HA TYR 25 -9.541 7.197 -2.516 181 HB2 TYR 25 1HB TYR 25 -11.585 7.191 -0.280 182 HB3 TYR 25 2HB TYR 25 -10.694 5.742 -0.692 183 HD1 TYR 25 1HD TYR 25 -10.130 9.330 0.307 184 HD2 TYR 25 2HD TYR 25 -8.583 5.301 0.096 185 HE1 TYR 25 1HE TYR 25 -8.223 9.999 1.740 186 HE2 TYR 25 2HE TYR 25 -6.680 5.962 1.562 187 HH TYR 25 HH TYR 25 -6.295 9.273 2.814 188 H GLU 26 H GLU 26 -9.813 5.080 -2.988 189 HA GLU 26 HA GLU 26 -12.305 4.120 -4.273 190 HB2 GLU 26 1HB GLU 26 -10.840 5.507 -5.795 191 HB3 GLU 26 2HB GLU 26 -9.532 4.381 -5.514 192 HG2 GLU 26 1HG GLU 26 -10.526 3.901 -7.634 193 HG3 GLU 26 2HG GLU 26 -10.907 2.571 -6.548 194 H TYR 27 H TYR 27 -12.125 3.026 -2.157 195 HA TYR 27 HA TYR 27 -10.165 0.960 -1.605 196 HB2 TYR 27 1HB TYR 27 -12.997 1.434 -0.575 197 HB3 TYR 27 2HB TYR 27 -11.852 0.288 0.106 198 HD1 TYR 27 2HD TYR 27 -9.704 1.131 1.162 199 HD2 TYR 27 1HD TYR 27 -13.007 3.719 0.114 200 HE1 TYR 27 2HE TYR 27 -8.923 2.798 2.817 201 HE2 TYR 27 1HE TYR 27 -12.201 5.405 1.771 202 HH TYR 27 HH TYR 27 -9.337 4.821 3.807 203 H HIS 28 H HIS 28 -10.169 -1.113 -2.252 204 HA HIS 28 HA HIS 28 -12.618 -2.497 -3.176 205 HB2 HIS 28 1HB HIS 28 -10.126 -2.074 -4.875 206 HB3 HIS 28 2HB HIS 28 -11.320 -3.347 -5.170 207 HD1 HIS 28 1HD HIS 28 -13.772 -2.578 -5.958 208 HD2 HIS 28 2HD HIS 28 -10.782 0.385 -5.630 209 HE1 HIS 28 1HE HIS 28 -14.670 -0.463 -7.190 210 HE2 HIS 28 2HE HIS 28 -12.879 1.315 -6.970 211 H LYS 29 H LYS 29 -12.262 -3.564 -1.137 212 HA LYS 29 HA LYS 29 -10.050 -5.535 -1.139 213 HB2 LYS 29 1HB LYS 29 -10.757 -4.285 0.942 214 HB3 LYS 29 2HB LYS 29 -12.287 -5.177 0.893 215 HG2 LYS 29 1HG LYS 29 -11.100 -7.298 1.155 216 HG3 LYS 29 2HG LYS 29 -9.529 -6.499 0.982 217 HD2 LYS 29 1HD LYS 29 -10.017 -5.177 3.033 218 HD3 LYS 29 2HD LYS 29 -11.541 -6.063 3.227 219 HE2 LYS 29 1HE LYS 29 -8.796 -7.337 3.142 220 HE3 LYS 29 2HE LYS 29 -9.591 -6.866 4.639 221 HZ1 LYS 29 3HZ LYS 29 -10.739 -8.827 2.705 222 HZ2 LYS 29 1HZ LYS 29 -9.978 -9.223 4.129 223 HZ3 LYS 29 2HZ LYS 29 -11.409 -8.388 4.094 224 H GLY 30 H GLY 30 -10.384 -7.763 -1.053 225 HA2 GLY 30 1HA GLY 30 -11.584 -9.720 -1.150 226 HA3 GLY 30 2HA GLY 30 -13.078 -8.839 -1.491 227 H LEU 31 H LEU 31 -10.033 -8.608 -3.273 228 HA LEU 31 HA LEU 31 -11.192 -10.025 -5.602 229 HB2 LEU 31 1HB LEU 31 -10.569 -8.170 -7.095 230 HB3 LEU 31 2HB LEU 31 -11.874 -7.814 -6.009 231 HG LEU 31 HG LEU 31 -10.540 -6.365 -4.644 232 HD11 LEU 31 1HD1 LEU 31 -8.256 -5.718 -5.157 233 HD12 LEU 31 2HD1 LEU 31 -8.304 -7.408 -4.704 234 HD13 LEU 31 3HD1 LEU 31 -8.134 -6.959 -6.425 235 HD21 LEU 31 3HD2 LEU 31 -10.072 -5.859 -7.615 236 HD22 LEU 31 1HD2 LEU 31 -11.538 -5.451 -6.699 237 HD23 LEU 31 2HD2 LEU 31 -9.989 -4.641 -6.347 238 H SER 32 H SER 32 -9.098 -9.567 -7.439 239 HA SER 32 HA SER 32 -6.717 -10.560 -5.955 240 HB2 SER 32 1HB SER 32 -6.590 -12.485 -7.247 241 HB3 SER 32 2HB SER 32 -8.300 -12.372 -6.852 242 HG SER 32 HG SER 32 -8.793 -11.553 -8.917 243 H LEU 33 H LEU 33 -4.945 -11.057 -7.762 244 HA LEU 33 HA LEU 33 -4.015 -8.432 -8.389 245 HB2 LEU 33 1HB LEU 33 -3.058 -11.213 -9.188 246 HB3 LEU 33 2HB LEU 33 -2.167 -9.748 -9.557 247 HG LEU 33 HG LEU 33 -2.909 -10.622 -6.725 248 HD11 LEU 33 1HD1 LEU 33 -1.278 -12.146 -7.735 249 HD12 LEU 33 2HD1 LEU 33 -0.271 -10.764 -8.228 250 HD13 LEU 33 3HD1 LEU 33 -0.520 -11.132 -6.502 251 HD21 LEU 33 3HD2 LEU 33 -2.493 -8.443 -6.274 252 HD22 LEU 33 1HD2 LEU 33 -0.805 -8.844 -6.570 253 HD23 LEU 33 2HD2 LEU 33 -1.749 -8.129 -7.863 254 H SER 34 H SER 34 -5.537 -10.918 -10.475 255 HA SER 34 HA SER 34 -5.274 -9.463 -12.925 256 HB2 SER 34 1HB SER 34 -7.290 -11.543 -11.978 257 HB3 SER 34 2HB SER 34 -7.067 -11.026 -13.658 258 HG SER 34 HG SER 34 -4.965 -11.816 -13.599 259 H ASP 35 H ASP 35 -7.449 -9.066 -10.197 260 HA ASP 35 HA ASP 35 -9.404 -7.437 -11.706 261 HB2 ASP 35 1HB ASP 35 -9.096 -7.959 -8.732 262 HB3 ASP 35 2HB ASP 35 -10.483 -7.222 -9.523 263 H PHE 36 H PHE 36 -6.613 -7.060 -9.521 264 HA PHE 36 HA PHE 36 -6.760 -4.203 -9.280 265 HB2 PHE 36 1HB PHE 36 -5.305 -5.446 -7.823 266 HB3 PHE 36 2HB PHE 36 -4.406 -6.107 -9.182 267 HD1 PHE 36 1HD PHE 36 -5.387 -2.768 -7.745 268 HD2 PHE 36 2HD PHE 36 -2.459 -5.044 -9.940 269 HE1 PHE 36 1HE PHE 36 -3.929 -0.768 -7.855 270 HE2 PHE 36 2HE PHE 36 -1.019 -3.052 -10.094 271 HZ PHE 36 HZ PHE 36 -1.773 -0.876 -9.067 272 H GLU 37 H GLU 37 -5.276 -6.280 -11.864 273 HA GLU 37 HA GLU 37 -4.223 -4.187 -13.448 274 HB2 GLU 37 1HB GLU 37 -5.473 -6.872 -14.137 275 HB3 GLU 37 2HB GLU 37 -4.800 -5.790 -15.349 276 HG2 GLU 37 1HG GLU 37 -2.602 -5.828 -14.243 277 HG3 GLU 37 2HG GLU 37 -3.243 -6.865 -12.967 278 H VAL 38 H VAL 38 -7.576 -5.310 -13.164 279 HA VAL 38 HA VAL 38 -8.615 -3.627 -15.291 280 HB VAL 38 HB VAL 38 -10.035 -4.968 -12.946 281 HG11 VAL 38 1HG1 VAL 38 -11.183 -3.795 -15.504 282 HG12 VAL 38 2HG1 VAL 38 -12.078 -4.713 -14.271 283 HG13 VAL 38 3HG1 VAL 38 -11.412 -3.128 -13.871 284 HG21 VAL 38 3HG2 VAL 38 -9.709 -5.793 -15.864 285 HG22 VAL 38 1HG2 VAL 38 -8.943 -6.586 -14.479 286 HG23 VAL 38 2HG2 VAL 38 -10.697 -6.642 -14.650 287 H LEU 39 H LEU 39 -8.514 -3.311 -11.726 288 HA LEU 39 HA LEU 39 -9.739 -0.759 -11.508 289 HB2 LEU 39 1HB LEU 39 -9.382 -2.315 -9.681 290 HB3 LEU 39 2HB LEU 39 -7.644 -2.193 -9.819 291 HG LEU 39 HG LEU 39 -8.747 -1.057 -7.876 292 HD11 LEU 39 1HD1 LEU 39 -6.414 -0.543 -8.644 293 HD12 LEU 39 2HD1 LEU 39 -7.056 0.866 -9.505 294 HD13 LEU 39 3HD1 LEU 39 -7.223 0.752 -7.748 295 HD21 LEU 39 3HD2 LEU 39 -9.755 1.116 -8.118 296 HD22 LEU 39 1HD2 LEU 39 -9.531 1.093 -9.875 297 HD23 LEU 39 2HD2 LEU 39 -10.653 -0.051 -9.105 298 H TYR 40 H TYR 40 -6.240 -1.535 -11.721 299 HA TYR 40 HA TYR 40 -5.328 1.181 -11.796 300 HB2 TYR 40 1HB TYR 40 -3.892 -0.650 -11.186 301 HB3 TYR 40 2HB TYR 40 -4.160 -1.463 -12.723 302 HD1 TYR 40 2HD TYR 40 -2.828 1.770 -11.318 303 HD2 TYR 40 1HD TYR 40 -2.616 -1.190 -14.457 304 HE1 TYR 40 2HE TYR 40 -0.819 2.913 -12.264 305 HE2 TYR 40 1HE TYR 40 -0.632 -0.054 -15.400 306 HH TYR 40 HH TYR 40 0.816 1.686 -15.281 307 H GLY 41 H GLY 41 -6.166 -1.117 -14.463 308 HA2 GLY 41 1HA GLY 41 -5.411 0.599 -16.607 309 HA3 GLY 41 2HA GLY 41 -6.541 -0.763 -16.689 310 H ASN 42 H ASN 42 -8.357 0.578 -14.638 311 HA ASN 42 HA ASN 42 -9.937 2.068 -16.559 312 HB2 ASN 42 1HB ASN 42 -10.832 0.465 -14.893 313 HB3 ASN 42 2HB ASN 42 -10.310 1.530 -13.581 314 HD21 ASN 42 1HD2 ASN 42 -11.922 2.866 -12.811 315 HD22 ASN 42 2HD2 ASN 42 -13.298 3.347 -13.811 316 H THR 43 H THR 43 -7.648 3.004 -14.117 317 HA THR 43 HA THR 43 -8.619 5.376 -13.154 318 HB THR 43 HB THR 43 -5.698 4.717 -13.688 319 HG1 THR 43 1HG THR 43 -6.805 3.133 -12.461 320 HG21 THR 43 3HG2 THR 43 -6.978 7.024 -12.382 321 HG22 THR 43 1HG2 THR 43 -6.014 6.085 -11.267 322 HG23 THR 43 2HG2 THR 43 -5.256 6.725 -12.732 323 H ALA 44 H ALA 44 -6.280 5.222 -15.858 324 HA ALA 44 HA ALA 44 -5.516 6.799 -17.309 325 HB1 ALA 44 3HB ALA 44 -7.794 5.881 -18.121 326 HB2 ALA 44 1HB ALA 44 -8.420 7.491 -17.715 327 HB3 ALA 44 2HB ALA 44 -7.119 7.321 -18.920 328 H ASP 45 H ASP 45 -5.452 7.850 -14.692 329 HA ASP 45 HA ASP 45 -5.692 10.770 -15.204 330 HB2 ASP 45 1HB ASP 45 -7.720 9.680 -14.010 331 HB3 ASP 45 2HB ASP 45 -6.650 9.480 -12.625 332 H GLU 46 H GLU 46 -3.481 8.859 -15.041 333 HA GLU 46 HA GLU 46 -1.326 8.654 -14.334 334 HB2 GLU 46 1HB GLU 46 -1.804 11.632 -13.943 335 HB3 GLU 46 2HB GLU 46 -0.228 10.874 -13.834 336 HG2 GLU 46 1HG GLU 46 -0.267 11.618 -16.003 337 HG3 GLU 46 2HG GLU 46 -0.556 9.886 -16.123 338 H ILE 47 H ILE 47 -3.437 8.759 -12.006 339 HA ILE 47 HA ILE 47 -3.470 8.025 -9.872 340 HB ILE 47 HB ILE 47 -0.697 7.189 -10.664 341 HG12 ILE 47 1HG1 ILE 47 -2.677 5.992 -11.583 342 HG13 ILE 47 2HG1 ILE 47 -1.575 4.994 -10.665 343 HG21 ILE 47 1HG2 ILE 47 -0.269 7.499 -8.356 344 HG22 ILE 47 2HG2 ILE 47 -1.782 6.692 -7.897 345 HG23 ILE 47 3HG2 ILE 47 -0.483 5.775 -8.667 346 HD11 ILE 47 3HD1 ILE 47 -4.323 5.952 -9.801 347 HD12 ILE 47 1HD1 ILE 47 -3.757 4.286 -10.050 348 HD13 ILE 47 2HD1 ILE 47 -3.192 5.208 -8.666 349 H ILE 48 H ILE 48 -3.130 8.519 -7.777 350 HA ILE 48 HA ILE 48 -1.179 10.689 -7.155 351 HB ILE 48 HB ILE 48 -3.847 10.247 -5.803 352 HG12 ILE 48 1HG1 ILE 48 -4.155 11.434 -7.915 353 HG13 ILE 48 2HG1 ILE 48 -4.467 12.449 -6.521 354 HG21 ILE 48 1HG2 ILE 48 -2.209 10.852 -4.128 355 HG22 ILE 48 2HG2 ILE 48 -1.534 12.120 -5.161 356 HG23 ILE 48 3HG2 ILE 48 -3.175 12.287 -4.494 357 HD11 ILE 48 3HD1 ILE 48 -1.960 12.555 -8.252 358 HD12 ILE 48 1HD1 ILE 48 -3.305 13.696 -8.274 359 HD13 ILE 48 2HD1 ILE 48 -2.273 13.590 -6.840 360 H LYS 49 H LYS 49 -3.093 8.025 -5.591 361 HA LYS 49 HA LYS 49 -0.541 6.715 -5.029 362 HB2 LYS 49 1HB LYS 49 -0.947 8.319 -3.130 363 HB3 LYS 49 2HB LYS 49 -2.413 7.419 -2.740 364 HG2 LYS 49 1HG LYS 49 -1.062 5.373 -2.349 365 HG3 LYS 49 2HG LYS 49 0.412 6.260 -2.769 366 HD2 LYS 49 1HD LYS 49 -1.471 7.017 -0.484 367 HD3 LYS 49 2HD LYS 49 -0.037 5.987 -0.299 368 HE2 LYS 49 1HE LYS 49 1.434 7.770 -1.106 369 HE3 LYS 49 2HE LYS 49 0.072 8.833 -1.420 370 HZ1 LYS 49 3HZ LYS 49 -0.195 9.271 0.764 371 HZ2 LYS 49 1HZ LYS 49 0.300 7.789 1.273 372 HZ3 LYS 49 2HZ LYS 49 1.413 8.916 0.814 373 H LEU 50 H LEU 50 -0.718 4.537 -4.765 374 HA LEU 50 HA LEU 50 -3.354 3.411 -4.134 375 HB2 LEU 50 1HB LEU 50 -3.362 1.717 -5.822 376 HB3 LEU 50 2HB LEU 50 -3.202 3.285 -6.578 377 HG LEU 50 HG LEU 50 -0.631 2.771 -6.598 378 HD11 LEU 50 1HD1 LEU 50 -1.820 0.039 -6.068 379 HD12 LEU 50 2HD1 LEU 50 -0.445 0.183 -7.162 380 HD13 LEU 50 3HD1 LEU 50 -0.286 0.733 -5.500 381 HD21 LEU 50 3HD2 LEU 50 -2.632 1.385 -8.415 382 HD22 LEU 50 1HD2 LEU 50 -2.000 3.039 -8.597 383 HD23 LEU 50 2HD2 LEU 50 -0.918 1.663 -8.816 384 H ARG 51 H ARG 51 -3.369 1.421 -3.237 385 HA ARG 51 HA ARG 51 -0.846 0.223 -2.217 386 HB2 ARG 51 1HB ARG 51 -3.413 0.906 -0.745 387 HB3 ARG 51 2HB ARG 51 -2.220 -0.232 -0.124 388 HG2 ARG 51 1HG ARG 51 -0.535 1.479 0.031 389 HG3 ARG 51 2HG ARG 51 -1.514 2.648 -0.874 390 HD2 ARG 51 1HD ARG 51 -1.541 3.163 1.465 391 HD3 ARG 51 2HD ARG 51 -3.171 2.689 0.937 392 HE ARG 51 HE ARG 51 -2.177 0.329 1.831 393 HH11 ARG 51 2HH2 ARG 51 -2.402 3.475 3.319 394 HH12 ARG 51 1HH2 ARG 51 -2.445 2.861 4.948 395 HH21 ARG 51 1HH1 ARG 51 -2.264 -0.466 3.899 396 HH22 ARG 51 2HH1 ARG 51 -2.403 0.605 5.261 397 H LEU 52 H LEU 52 -0.851 -1.941 -2.151 398 HA LEU 52 HA LEU 52 -3.378 -3.405 -2.356 399 HB2 LEU 52 1HB LEU 52 -2.536 -3.245 -4.631 400 HB3 LEU 52 2HB LEU 52 -0.996 -3.908 -4.133 401 HG LEU 52 HG LEU 52 -3.483 -5.562 -3.690 402 HD11 LEU 52 1HD1 LEU 52 -3.563 -6.347 -5.889 403 HD12 LEU 52 2HD1 LEU 52 -3.325 -4.616 -6.135 404 HD13 LEU 52 3HD1 LEU 52 -1.951 -5.708 -6.298 405 HD21 LEU 52 3HD2 LEU 52 -1.341 -6.538 -2.854 406 HD22 LEU 52 1HD2 LEU 52 -1.875 -7.425 -4.274 407 HD23 LEU 52 2HD2 LEU 52 -0.597 -6.217 -4.423 408 H ASP 53 H ASP 53 -3.361 -5.251 -1.155 409 HA ASP 53 HA ASP 53 -0.897 -6.157 0.257 410 HB2 ASP 53 1HB ASP 53 -2.105 -4.194 1.375 411 HB3 ASP 53 2HB ASP 53 -3.491 -5.263 1.592 412 H LYS 54 H LYS 54 -0.888 -8.374 0.132 413 HA LYS 54 HA LYS 54 -3.443 -9.834 -0.207 414 HB2 LYS 54 1HB LYS 54 -2.200 -11.800 -0.298 415 HB3 LYS 54 2HB LYS 54 -1.165 -10.600 -1.043 416 HG2 LYS 54 1HG LYS 54 0.374 -11.642 0.245 417 HG3 LYS 54 2HG LYS 54 -0.088 -10.363 1.355 418 HD2 LYS 54 1HD LYS 54 -0.018 -12.312 2.674 419 HD3 LYS 54 2HD LYS 54 -1.753 -12.168 2.350 420 HE2 LYS 54 1HE LYS 54 -1.558 -13.772 0.470 421 HE3 LYS 54 2HE LYS 54 0.196 -13.816 0.683 422 HZ1 LYS 54 3HZ LYS 54 -0.444 -14.509 3.066 423 HZ2 LYS 54 1HZ LYS 54 -1.874 -14.965 2.397 424 HZ3 LYS 54 2HZ LYS 54 -0.460 -15.645 1.876 425 H VAL 55 H VAL 55 -4.702 -10.711 1.170 426 HA VAL 55 HA VAL 55 -4.356 -9.663 3.915 427 HB VAL 55 HB VAL 55 -6.779 -9.721 4.047 428 HG11 VAL 55 1HG1 VAL 55 -5.783 -8.367 1.512 429 HG12 VAL 55 2HG1 VAL 55 -7.218 -7.940 2.406 430 HG13 VAL 55 3HG1 VAL 55 -5.620 -7.717 3.149 431 HG21 VAL 55 3HG2 VAL 55 -8.194 -10.667 2.530 432 HG22 VAL 55 1HG2 VAL 55 -7.118 -10.224 1.176 433 HG23 VAL 55 2HG2 VAL 55 -6.801 -11.671 2.097 434 H LEU 56 H LEU 56 -5.184 -10.675 5.576 435 HA LEU 56 HA LEU 56 -5.086 -13.644 5.614 436 HB2 LEU 56 1HB LEU 56 -3.421 -12.402 7.006 437 HB3 LEU 56 2HB LEU 56 -4.746 -11.522 7.781 438 HG LEU 56 HG LEU 56 -5.636 -13.682 8.697 439 HD11 LEU 56 1HD1 LEU 56 -4.724 -15.290 7.057 440 HD12 LEU 56 2HD1 LEU 56 -3.062 -14.806 7.478 441 HD13 LEU 56 3HD1 LEU 56 -4.087 -15.651 8.661 442 HD21 LEU 56 3HD2 LEU 56 -3.831 -13.927 10.349 443 HD22 LEU 56 1HD2 LEU 56 -2.708 -13.073 9.260 444 HD23 LEU 56 2HD2 LEU 56 -4.106 -12.218 9.962 445 H1 MET 1 1H MET 1 17.823 22.023 -6.464 446 H2 MET 1 2H MET 1 18.609 22.343 -5.047 447 H3 MET 1 3H MET 1 17.004 22.701 -5.194 448 HA MET 1 HA MET 1 16.331 20.552 -4.979 449 HB2 MET 1 1HB MET 1 17.891 19.901 -6.876 450 HB3 MET 1 2HB MET 1 19.144 19.648 -5.660 451 HG2 MET 1 1HG MET 1 16.396 18.307 -5.634 452 HG3 MET 1 2HG MET 1 17.799 17.605 -6.427 453 HE1 MET 1 3HE MET 1 20.036 17.723 -5.251 454 HE2 MET 1 1HE MET 1 20.303 17.177 -3.577 455 HE3 MET 1 2HE MET 1 19.760 16.018 -4.839 456 H VAL 2 H VAL 2 16.070 19.964 -2.972 457 HA VAL 2 HA VAL 2 18.391 19.898 -1.125 458 HB VAL 2 HB VAL 2 17.213 22.056 -0.882 459 HG11 VAL 2 1HG1 VAL 2 14.914 21.332 0.656 460 HG12 VAL 2 2HG1 VAL 2 14.993 22.267 -0.852 461 HG13 VAL 2 3HG1 VAL 2 14.760 20.530 -0.893 462 HG21 VAL 2 3HG2 VAL 2 17.083 22.005 1.536 463 HG22 VAL 2 1HG2 VAL 2 16.959 20.230 1.523 464 HG23 VAL 2 2HG2 VAL 2 18.451 21.023 0.972 465 H GLN 3 H GLN 3 15.136 18.757 -1.956 466 HA GLN 3 HA GLN 3 15.204 16.645 0.046 467 HB2 GLN 3 1HB GLN 3 13.241 17.576 -2.076 468 HB3 GLN 3 2HB GLN 3 13.082 16.007 -1.266 469 HG2 GLN 3 1HG GLN 3 13.286 17.235 0.966 470 HG3 GLN 3 2HG GLN 3 13.104 18.754 0.068 471 HE21 GLN 3 1HE2 GLN 3 11.632 15.558 0.816 472 HE22 GLN 3 2HE2 GLN 3 9.993 16.082 0.412 473 H ASN 4 H ASN 4 17.104 15.694 -0.577 474 HA ASN 4 HA ASN 4 17.266 14.245 -3.113 475 HB2 ASN 4 1HB ASN 4 19.182 15.184 -1.780 476 HB3 ASN 4 2HB ASN 4 18.868 13.954 -0.542 477 HD21 ASN 4 1HD2 ASN 4 20.197 12.182 -0.765 478 HD22 ASN 4 2HD2 ASN 4 20.819 11.660 -2.335 479 H ASP 5 H ASP 5 15.393 13.701 -0.296 480 HA ASP 5 HA ASP 5 15.795 10.842 -0.020 481 HB2 ASP 5 1HB ASP 5 14.075 11.118 1.699 482 HB3 ASP 5 2HB ASP 5 15.371 12.295 1.896 483 H PHE 6 H PHE 6 13.489 12.996 -1.529 484 HA PHE 6 HA PHE 6 12.546 10.796 -3.261 485 HB2 PHE 6 1HB PHE 6 10.741 12.679 -1.703 486 HB3 PHE 6 2HB PHE 6 10.234 11.887 -3.187 487 HD1 PHE 6 2HD PHE 6 11.055 11.331 0.382 488 HD2 PHE 6 1HD PHE 6 9.766 9.527 -3.309 489 HE1 PHE 6 2HE PHE 6 10.171 9.389 1.645 490 HE2 PHE 6 1HE PHE 6 8.832 7.604 -2.045 491 HZ PHE 6 HZ PHE 6 9.032 7.526 0.424 492 H VAL 7 H VAL 7 14.127 11.744 -4.580 493 HA VAL 7 HA VAL 7 14.117 14.575 -5.079 494 HB VAL 7 HB VAL 7 16.101 13.259 -4.730 495 HG11 VAL 7 1HG1 VAL 7 15.552 11.949 -7.403 496 HG12 VAL 7 2HG1 VAL 7 17.141 11.999 -6.636 497 HG13 VAL 7 3HG1 VAL 7 15.793 11.178 -5.830 498 HG21 VAL 7 3HG2 VAL 7 15.904 15.454 -6.180 499 HG22 VAL 7 1HG2 VAL 7 17.440 14.620 -5.913 500 HG23 VAL 7 2HG2 VAL 7 16.551 14.387 -7.444 501 H ASP 8 H ASP 8 11.807 14.016 -5.762 502 HA ASP 8 HA ASP 8 10.133 14.188 -7.236 503 HB2 ASP 8 1HB ASP 8 11.531 16.015 -8.194 504 HB3 ASP 8 2HB ASP 8 12.145 14.884 -9.407 505 H SER 9 H SER 9 9.293 13.459 -9.292 506 HA SER 9 HA SER 9 8.328 11.766 -10.454 507 HB2 SER 9 1HB SER 9 11.007 10.345 -10.353 508 HB3 SER 9 2HB SER 9 9.681 10.005 -11.452 509 HG SER 9 HG SER 9 9.938 12.206 -12.246 510 H TYR 10 H TYR 10 7.723 9.354 -10.435 511 HA TYR 10 HA TYR 10 6.348 9.089 -7.951 512 HB2 TYR 10 1HB TYR 10 6.682 7.138 -10.267 513 HB3 TYR 10 2HB TYR 10 5.605 6.908 -8.919 514 HD1 TYR 10 2HD TYR 10 6.303 9.396 -11.693 515 HD2 TYR 10 1HD TYR 10 3.403 7.597 -9.037 516 HE1 TYR 10 2HE TYR 10 4.482 10.684 -12.794 517 HE2 TYR 10 1HE TYR 10 1.582 8.779 -10.246 518 HH TYR 10 HH TYR 10 1.032 10.126 -12.012 519 H ASP 11 H ASP 11 6.295 7.256 -6.577 520 HA ASP 11 HA ASP 11 8.837 5.680 -6.272 521 HB2 ASP 11 1HB ASP 11 8.715 7.134 -4.410 522 HB3 ASP 11 2HB ASP 11 6.975 6.913 -4.219 523 H VAL 12 H VAL 12 8.624 3.567 -6.089 524 HA VAL 12 HA VAL 12 5.932 2.285 -5.939 525 HB VAL 12 HB VAL 12 8.266 1.635 -7.743 526 HG11 VAL 12 1HG1 VAL 12 5.912 -0.170 -7.043 527 HG12 VAL 12 2HG1 VAL 12 6.977 -0.392 -8.455 528 HG13 VAL 12 3HG1 VAL 12 7.638 -0.540 -6.831 529 HG21 VAL 12 3HG2 VAL 12 6.611 1.760 -9.473 530 HG22 VAL 12 1HG2 VAL 12 5.300 1.958 -8.269 531 HG23 VAL 12 2HG2 VAL 12 6.496 3.233 -8.503 532 H THR 13 H THR 13 5.968 2.018 -3.836 533 HA THR 13 HA THR 13 8.217 0.714 -2.420 534 HB THR 13 HB THR 13 5.570 1.855 -1.482 535 HG1 THR 13 1HG THR 13 7.248 3.429 -1.937 536 HG21 THR 13 3HG2 THR 13 5.843 0.187 0.130 537 HG22 THR 13 1HG2 THR 13 7.620 0.238 0.028 538 HG23 THR 13 2HG2 THR 13 6.731 1.554 0.817 539 H MET 14 H MET 14 8.439 -1.384 -2.762 540 HA MET 14 HA MET 14 6.031 -3.103 -3.286 541 HB2 MET 14 1HB MET 14 8.805 -2.875 -4.447 542 HB3 MET 14 2HB MET 14 8.068 -4.471 -4.398 543 HG2 MET 14 1HG MET 14 6.478 -2.155 -5.488 544 HG3 MET 14 2HG MET 14 7.712 -2.945 -6.477 545 HE1 MET 14 3HE MET 14 4.374 -4.228 -7.953 546 HE2 MET 14 1HE MET 14 5.058 -2.629 -7.494 547 HE3 MET 14 2HE MET 14 6.038 -3.802 -8.407 548 H LEU 15 H LEU 15 5.866 -5.108 -2.369 549 HA LEU 15 HA LEU 15 8.103 -6.065 -0.706 550 HB2 LEU 15 1HB LEU 15 6.032 -4.821 0.422 551 HB3 LEU 15 2HB LEU 15 5.274 -6.405 0.234 552 HG LEU 15 HG LEU 15 7.857 -5.757 1.711 553 HD11 LEU 15 1HD1 LEU 15 6.504 -6.309 3.691 554 HD12 LEU 15 2HD1 LEU 15 5.716 -5.034 2.742 555 HD13 LEU 15 3HD1 LEU 15 5.111 -6.697 2.649 556 HD21 LEU 15 3HD2 LEU 15 7.736 -8.042 2.618 557 HD22 LEU 15 1HD2 LEU 15 6.429 -8.449 1.485 558 HD23 LEU 15 2HD2 LEU 15 8.058 -8.076 0.891 559 H LEU 16 H LEU 16 8.713 -7.892 -1.446 560 HA LEU 16 HA LEU 16 6.790 -9.881 -2.527 561 HB2 LEU 16 1HB LEU 16 8.990 -8.480 -3.889 562 HB3 LEU 16 2HB LEU 16 9.361 -10.179 -3.786 563 HG LEU 16 HG LEU 16 8.308 -9.682 -5.867 564 HD11 LEU 16 1HD1 LEU 16 7.828 -11.897 -4.836 565 HD12 LEU 16 2HD1 LEU 16 6.290 -11.239 -4.192 566 HD13 LEU 16 3HD1 LEU 16 6.572 -11.313 -5.918 567 HD21 LEU 16 3HD2 LEU 16 5.825 -9.137 -5.902 568 HD22 LEU 16 1HD2 LEU 16 6.028 -8.519 -4.267 569 HD23 LEU 16 2HD2 LEU 16 6.938 -7.792 -5.610 570 H GLN 17 H GLN 17 7.975 -12.080 -2.679 571 HA GLN 17 HA GLN 17 9.531 -12.490 -0.176 572 HB2 GLN 17 1HB GLN 17 7.152 -13.282 -0.146 573 HB3 GLN 17 2HB GLN 17 7.555 -14.398 -1.462 574 HG2 GLN 17 1HG GLN 17 9.227 -15.509 -0.028 575 HG3 GLN 17 2HG GLN 17 8.973 -14.315 1.253 576 HE21 GLN 17 1HE2 GLN 17 7.699 -17.204 -0.306 577 HE22 GLN 17 2HE2 GLN 17 6.373 -17.399 0.838 578 H ASP 18 H ASP 18 11.411 -13.423 -0.331 579 HA ASP 18 HA ASP 18 12.543 -14.066 -2.938 580 HB2 ASP 18 1HB ASP 18 13.736 -12.849 -1.108 581 HB3 ASP 18 2HB ASP 18 13.610 -14.296 -0.093 582 H ASP 19 H ASP 19 13.807 -16.052 -3.216 583 HA ASP 19 HA ASP 19 12.322 -18.472 -3.048 584 HB2 ASP 19 1HB ASP 19 14.091 -17.876 -4.705 585 HB3 ASP 19 2HB ASP 19 15.310 -17.966 -3.421 586 H ASP 20 H ASP 20 14.686 -17.030 -0.797 587 HA ASP 20 HA ASP 20 15.020 -19.351 0.889 588 HB2 ASP 20 1HB ASP 20 16.527 -17.336 0.670 589 HB3 ASP 20 2HB ASP 20 15.294 -16.380 1.505 590 H GLY 21 H GLY 21 12.295 -17.397 0.350 591 HA2 GLY 21 1HA GLY 21 10.206 -17.519 1.395 592 HA3 GLY 21 2HA GLY 21 10.934 -18.273 2.824 593 H LYS 22 H LYS 22 12.752 -15.604 1.940 594 HA LYS 22 HA LYS 22 11.857 -14.079 4.255 595 HB2 LYS 22 1HB LYS 22 14.242 -14.404 3.792 596 HB3 LYS 22 2HB LYS 22 14.067 -13.697 2.185 597 HG2 LYS 22 1HG LYS 22 15.092 -12.092 3.659 598 HG3 LYS 22 2HG LYS 22 13.492 -11.500 3.206 599 HD2 LYS 22 1HD LYS 22 12.581 -12.291 5.394 600 HD3 LYS 22 2HD LYS 22 14.195 -12.910 5.828 601 HE2 LYS 22 1HE LYS 22 15.099 -10.590 5.511 602 HE3 LYS 22 2HE LYS 22 13.463 -10.036 5.111 603 HZ1 LYS 22 3HZ LYS 22 13.615 -9.591 7.361 604 HZ2 LYS 22 1HZ LYS 22 12.889 -11.063 7.382 605 HZ3 LYS 22 2HZ LYS 22 14.496 -10.950 7.703 606 H GLN 23 H GLN 23 10.244 -12.661 4.145 607 HA GLN 23 HA GLN 23 9.403 -11.389 1.640 608 HB2 GLN 23 1HB GLN 23 8.547 -11.025 4.534 609 HB3 GLN 23 2HB GLN 23 7.857 -10.155 3.154 610 HG2 GLN 23 1HG GLN 23 7.220 -12.295 2.088 611 HG3 GLN 23 2HG GLN 23 7.838 -13.176 3.494 612 HE21 GLN 23 1HE2 GLN 23 5.429 -13.852 3.074 613 HE22 GLN 23 2HE2 GLN 23 4.290 -12.933 4.109 614 H TYR 24 H TYR 24 10.188 -9.521 0.861 615 HA TYR 24 HA TYR 24 11.778 -7.784 2.689 616 HB2 TYR 24 1HB TYR 24 13.527 -7.587 1.099 617 HB3 TYR 24 2HB TYR 24 13.289 -9.287 1.465 618 HD1 TYR 24 1HD TYR 24 12.209 -10.800 -0.264 619 HD2 TYR 24 2HD TYR 24 13.186 -6.677 -1.081 620 HE1 TYR 24 1HE TYR 24 12.013 -11.248 -2.698 621 HE2 TYR 24 2HE TYR 24 12.991 -7.122 -3.525 622 HH TYR 24 HH TYR 24 12.075 -10.263 -4.884 623 H TYR 25 H TYR 25 11.420 -5.740 2.573 624 HA TYR 25 HA TYR 25 9.624 -4.515 0.606 625 HB2 TYR 25 1HB TYR 25 11.133 -3.645 3.075 626 HB3 TYR 25 2HB TYR 25 10.716 -2.424 1.896 627 HD1 TYR 25 2HD TYR 25 8.286 -2.223 1.093 628 HD2 TYR 25 1HD TYR 25 9.509 -4.255 4.697 629 HE1 TYR 25 2HE TYR 25 6.026 -1.819 2.089 630 HE2 TYR 25 1HE TYR 25 7.277 -3.861 5.694 631 HH TYR 25 HH TYR 25 5.230 -2.962 5.383 632 H GLU 26 H GLU 26 10.242 -3.093 -0.973 633 HA GLU 26 HA GLU 26 12.915 -1.954 -0.863 634 HB2 GLU 26 1HB GLU 26 13.213 -3.987 -2.310 635 HB3 GLU 26 2HB GLU 26 11.981 -3.358 -3.405 636 HG2 GLU 26 1HG GLU 26 14.272 -2.967 -4.230 637 HG3 GLU 26 2HG GLU 26 13.409 -1.454 -3.979 638 H TYR 27 H TYR 27 13.085 -0.014 -1.895 639 HA TYR 27 HA TYR 27 10.452 1.377 -2.331 640 HB2 TYR 27 1HB TYR 27 13.041 2.396 -1.127 641 HB3 TYR 27 2HB TYR 27 11.518 3.281 -1.233 642 HD1 TYR 27 2HD TYR 27 9.483 2.302 0.039 643 HD2 TYR 27 1HD TYR 27 13.534 0.972 0.684 644 HE1 TYR 27 2HE TYR 27 8.810 1.345 2.230 645 HE2 TYR 27 1HE TYR 27 12.870 0.022 2.897 646 HH TYR 27 HH TYR 27 9.535 0.320 4.136 647 H HIS 28 H HIS 28 10.415 1.225 -4.598 648 HA HIS 28 HA HIS 28 12.875 1.932 -6.097 649 HB2 HIS 28 1HB HIS 28 10.175 0.985 -7.087 650 HB3 HIS 28 2HB HIS 28 11.636 1.180 -8.057 651 HD1 HIS 28 1HD HIS 28 13.675 -0.569 -7.409 652 HD2 HIS 28 2HD HIS 28 9.808 -1.288 -5.898 653 HE1 HIS 28 1HE HIS 28 13.615 -3.072 -6.755 654 HE2 HIS 28 2HE HIS 28 11.255 -3.498 -5.801 655 H LYS 29 H LYS 29 13.005 4.048 -5.514 656 HA LYS 29 HA LYS 29 10.885 5.998 -6.120 657 HB2 LYS 29 1HB LYS 29 13.733 6.228 -5.114 658 HB3 LYS 29 2HB LYS 29 12.639 7.607 -5.262 659 HG2 LYS 29 1HG LYS 29 11.081 6.545 -3.655 660 HG3 LYS 29 2HG LYS 29 12.191 5.167 -3.477 661 HD2 LYS 29 1HD LYS 29 13.978 6.781 -2.733 662 HD3 LYS 29 2HD LYS 29 12.758 8.077 -2.795 663 HE2 LYS 29 1HE LYS 29 11.353 6.820 -1.190 664 HE3 LYS 29 2HE LYS 29 12.577 5.546 -1.096 665 HZ1 LYS 29 3HZ LYS 29 14.075 7.036 -0.087 666 HZ2 LYS 29 1HZ LYS 29 13.228 8.371 -0.518 667 HZ3 LYS 29 2HZ LYS 29 12.637 7.381 0.661 668 H GLY 30 H GLY 30 11.238 7.886 -7.388 669 HA2 GLY 30 1HA GLY 30 12.171 9.272 -8.963 670 HA3 GLY 30 2HA GLY 30 13.621 8.264 -8.970 671 H LEU 31 H LEU 31 10.288 7.240 -9.765 672 HA LEU 31 HA LEU 31 11.083 6.828 -12.601 673 HB2 LEU 31 1HB LEU 31 10.376 4.455 -12.475 674 HB3 LEU 31 2HB LEU 31 11.836 4.847 -11.625 675 HG LEU 31 HG LEU 31 10.733 4.733 -9.460 676 HD11 LEU 31 1HD1 LEU 31 8.406 5.394 -10.027 677 HD12 LEU 31 2HD1 LEU 31 8.200 3.860 -10.918 678 HD13 LEU 31 3HD1 LEU 31 8.502 3.874 -9.163 679 HD21 LEU 31 3HD2 LEU 31 10.170 2.327 -11.240 680 HD22 LEU 31 1HD2 LEU 31 11.710 2.707 -10.435 681 HD23 LEU 31 2HD2 LEU 31 10.268 2.309 -9.477 682 H SER 32 H SER 32 8.780 5.265 -13.323 683 HA SER 32 HA SER 32 6.544 7.110 -12.678 684 HB2 SER 32 1HB SER 32 6.225 7.724 -14.940 685 HB3 SER 32 2HB SER 32 7.939 7.961 -14.621 686 HG SER 32 HG SER 32 8.376 5.870 -15.632 687 H LEU 33 H LEU 33 4.642 6.377 -14.328 688 HA LEU 33 HA LEU 33 3.725 3.978 -13.077 689 HB2 LEU 33 1HB LEU 33 2.609 5.496 -15.470 690 HB3 LEU 33 2HB LEU 33 1.806 4.220 -14.593 691 HG LEU 33 HG LEU 33 2.374 5.864 -12.468 692 HD11 LEU 33 1HD1 LEU 33 1.714 8.168 -13.262 693 HD12 LEU 33 2HD1 LEU 33 3.327 7.705 -13.808 694 HD13 LEU 33 3HD1 LEU 33 1.938 7.648 -14.925 695 HD21 LEU 33 3HD2 LEU 33 0.173 4.910 -13.075 696 HD22 LEU 33 1HD2 LEU 33 0.031 6.636 -12.707 697 HD23 LEU 33 2HD2 LEU 33 0.015 6.088 -14.394 698 H SER 34 H SER 34 5.176 4.492 -16.363 699 HA SER 34 HA SER 34 4.600 1.809 -17.241 700 HB2 SER 34 1HB SER 34 6.353 2.377 -18.947 701 HB3 SER 34 2HB SER 34 4.982 3.497 -18.865 702 HG SER 34 HG SER 34 7.660 3.939 -18.240 703 H ASP 35 H ASP 35 7.077 3.215 -15.158 704 HA ASP 35 HA ASP 35 8.849 0.881 -15.298 705 HB2 ASP 35 1HB ASP 35 8.755 3.194 -13.338 706 HB3 ASP 35 2HB ASP 35 10.074 2.042 -13.535 707 H PHE 36 H PHE 36 6.212 2.032 -13.219 708 HA PHE 36 HA PHE 36 6.319 -0.054 -11.225 709 HB2 PHE 36 1HB PHE 36 4.881 1.837 -10.882 710 HB3 PHE 36 2HB PHE 36 4.074 1.612 -12.403 711 HD1 PHE 36 2HD PHE 36 4.603 -0.117 -9.124 712 HD2 PHE 36 1HD PHE 36 2.085 0.388 -12.587 713 HE1 PHE 36 2HE PHE 36 2.873 -1.516 -8.059 714 HE2 PHE 36 1HE PHE 36 0.355 -1.050 -11.543 715 HZ PHE 36 HZ PHE 36 0.760 -2.016 -9.265 716 H GLU 37 H GLU 37 4.659 0.106 -14.429 717 HA GLU 37 HA GLU 37 3.606 -2.528 -14.370 718 HB2 GLU 37 1HB GLU 37 4.366 -0.643 -16.637 719 HB3 GLU 37 2HB GLU 37 3.590 -2.211 -16.894 720 HG2 GLU 37 1HG GLU 37 1.689 -1.574 -15.491 721 HG3 GLU 37 2HG GLU 37 2.462 -0.052 -15.079 722 H VAL 38 H VAL 38 6.874 -1.429 -15.139 723 HA VAL 38 HA VAL 38 7.754 -4.015 -16.158 724 HB VAL 38 HB VAL 38 9.312 -1.675 -15.010 725 HG11 VAL 38 1HG1 VAL 38 10.662 -3.680 -14.635 726 HG12 VAL 38 2HG1 VAL 38 10.301 -4.260 -16.274 727 HG13 VAL 38 3HG1 VAL 38 11.307 -2.811 -16.034 728 HG21 VAL 38 3HG2 VAL 38 9.666 -1.005 -17.198 729 HG22 VAL 38 1HG2 VAL 38 9.431 -2.644 -17.860 730 HG23 VAL 38 2HG2 VAL 38 8.040 -1.678 -17.374 731 H LEU 39 H LEU 39 7.995 -2.459 -12.887 732 HA LEU 39 HA LEU 39 9.261 -4.692 -11.661 733 HB2 LEU 39 1HB LEU 39 8.784 -2.259 -10.776 734 HB3 LEU 39 2HB LEU 39 7.265 -2.904 -10.217 735 HG LEU 39 HG LEU 39 8.742 -2.898 -8.370 736 HD11 LEU 39 1HD1 LEU 39 8.972 -5.152 -7.605 737 HD12 LEU 39 2HD1 LEU 39 7.539 -5.170 -8.633 738 HD13 LEU 39 3HD1 LEU 39 9.063 -5.785 -9.255 739 HD21 LEU 39 3HD2 LEU 39 10.996 -3.938 -8.403 740 HD22 LEU 39 1HD2 LEU 39 10.814 -4.280 -10.121 741 HD23 LEU 39 2HD2 LEU 39 10.844 -2.595 -9.557 742 H TYR 40 H TYR 40 5.788 -3.869 -11.784 743 HA TYR 40 HA TYR 40 4.817 -6.232 -10.505 744 HB2 TYR 40 1HB TYR 40 3.623 -4.073 -10.775 745 HB3 TYR 40 2HB TYR 40 3.493 -4.347 -12.502 746 HD1 TYR 40 2HD TYR 40 2.487 -5.604 -9.148 747 HD2 TYR 40 1HD TYR 40 1.734 -5.763 -13.395 748 HE1 TYR 40 2HE TYR 40 0.306 -6.750 -8.723 749 HE2 TYR 40 1HE TYR 40 -0.424 -6.929 -12.977 750 HH TYR 40 HH TYR 40 -1.827 -7.843 -11.370 751 H GLY 41 H GLY 41 5.392 -5.508 -13.996 752 HA2 GLY 41 1HA GLY 41 4.134 -7.921 -14.925 753 HA3 GLY 41 2HA GLY 41 5.092 -6.768 -15.864 754 H ASN 42 H ASN 42 7.563 -7.022 -14.286 755 HA ASN 42 HA ASN 42 8.589 -9.424 -15.597 756 HB2 ASN 42 1HB ASN 42 9.774 -7.215 -15.503 757 HB3 ASN 42 2HB ASN 42 9.900 -7.380 -13.745 758 HD21 ASN 42 1HD2 ASN 42 11.784 -8.328 -13.008 759 HD22 ASN 42 2HD2 ASN 42 12.765 -9.378 -14.037 760 H THR 43 H THR 43 7.676 -8.442 -12.345 761 HA THR 43 HA THR 43 9.041 -10.481 -10.910 762 HB THR 43 HB THR 43 6.525 -8.902 -10.254 763 HG1 THR 43 1HG THR 43 7.930 -7.445 -9.992 764 HG21 THR 43 3HG2 THR 43 8.252 -10.671 -8.478 765 HG22 THR 43 1HG2 THR 43 7.119 -9.434 -7.882 766 HG23 THR 43 2HG2 THR 43 6.503 -10.823 -8.779 767 H ALA 44 H ALA 44 5.690 -10.312 -12.105 768 HA ALA 44 HA ALA 44 4.002 -11.827 -12.245 769 HB1 ALA 44 3HB ALA 44 6.286 -13.519 -13.315 770 HB2 ALA 44 1HB ALA 44 4.563 -13.671 -13.726 771 HB3 ALA 44 2HB ALA 44 5.464 -12.213 -14.210 772 H ASP 45 H ASP 45 4.875 -11.836 -9.606 773 HA ASP 45 HA ASP 45 4.291 -14.637 -8.821 774 HB2 ASP 45 1HB ASP 45 6.737 -13.920 -8.523 775 HB3 ASP 45 2HB ASP 45 6.142 -12.756 -7.347 776 H GLU 46 H GLU 46 3.507 -14.718 -6.558 777 HA GLU 46 HA GLU 46 1.182 -12.950 -6.375 778 HB2 GLU 46 1HB GLU 46 0.545 -14.261 -4.390 779 HB3 GLU 46 2HB GLU 46 0.728 -15.173 -5.877 780 HG2 GLU 46 1HG GLU 46 3.104 -15.811 -5.058 781 HG3 GLU 46 2HG GLU 46 2.659 -15.103 -3.509 782 H ILE 47 H ILE 47 1.306 -11.060 -5.747 783 HA ILE 47 HA ILE 47 3.402 -9.833 -4.333 784 HB ILE 47 HB ILE 47 0.513 -8.933 -4.693 785 HG12 ILE 47 1HG1 ILE 47 1.479 -9.398 -6.896 786 HG13 ILE 47 2HG1 ILE 47 1.279 -7.678 -6.659 787 HG21 ILE 47 1HG2 ILE 47 1.588 -6.594 -4.634 788 HG22 ILE 47 2HG2 ILE 47 1.404 -7.445 -3.101 789 HG23 ILE 47 3HG2 ILE 47 2.993 -7.371 -3.901 790 HD11 ILE 47 3HD1 ILE 47 3.901 -8.199 -5.791 791 HD12 ILE 47 1HD1 ILE 47 3.682 -9.180 -7.256 792 HD13 ILE 47 2HD1 ILE 47 3.413 -7.419 -7.289 793 H ILE 48 H ILE 48 3.547 -8.942 -2.302 794 HA ILE 48 HA ILE 48 1.802 -10.083 -0.184 795 HB ILE 48 HB ILE 48 4.595 -8.952 0.131 796 HG12 ILE 48 1HG1 ILE 48 4.825 -11.010 -1.101 797 HG13 ILE 48 2HG1 ILE 48 5.355 -11.254 0.545 798 HG21 ILE 48 1HG2 ILE 48 2.708 -10.357 2.048 799 HG22 ILE 48 2HG2 ILE 48 4.412 -9.986 2.397 800 HG23 ILE 48 3HG2 ILE 48 3.262 -8.672 2.131 801 HD11 ILE 48 3HD1 ILE 48 3.923 -13.091 -0.610 802 HD12 ILE 48 1HD1 ILE 48 3.537 -12.656 1.071 803 HD13 ILE 48 2HD1 ILE 48 2.546 -12.065 -0.274 804 H LYS 49 H LYS 49 3.693 -7.136 -0.961 805 HA LYS 49 HA LYS 49 1.194 -5.624 -0.761 806 HB2 LYS 49 1HB LYS 49 3.702 -4.646 0.666 807 HB3 LYS 49 2HB LYS 49 2.187 -3.763 0.487 808 HG2 LYS 49 1HG LYS 49 1.028 -5.477 1.832 809 HG3 LYS 49 2HG LYS 49 2.565 -6.335 2.069 810 HD2 LYS 49 1HD LYS 49 3.499 -4.178 3.031 811 HD3 LYS 49 2HD LYS 49 1.856 -3.521 3.023 812 HE2 LYS 49 1HE LYS 49 2.690 -6.125 4.373 813 HE3 LYS 49 2HE LYS 49 2.657 -4.576 5.215 814 HZ1 LYS 49 3HZ LYS 49 0.219 -5.683 3.871 815 HZ2 LYS 49 1HZ LYS 49 0.593 -6.058 5.387 816 HZ3 LYS 49 2HZ LYS 49 0.299 -4.495 4.998 817 H LEU 50 H LEU 50 1.241 -3.700 -1.969 818 HA LEU 50 HA LEU 50 3.794 -2.751 -2.910 819 HB2 LEU 50 1HB LEU 50 3.380 -2.610 -5.292 820 HB3 LEU 50 2HB LEU 50 3.369 -4.267 -4.715 821 HG LEU 50 HG LEU 50 0.903 -4.293 -4.823 822 HD11 LEU 50 1HD1 LEU 50 0.243 -1.911 -4.840 823 HD12 LEU 50 2HD1 LEU 50 1.281 -1.606 -6.244 824 HD13 LEU 50 3HD1 LEU 50 -0.185 -2.596 -6.393 825 HD21 LEU 50 3HD2 LEU 50 2.468 -5.092 -6.642 826 HD22 LEU 50 1HD2 LEU 50 0.796 -4.749 -7.119 827 HD23 LEU 50 2HD2 LEU 50 2.079 -3.589 -7.503 828 H ARG 51 H ARG 51 3.744 -0.675 -3.844 829 HA ARG 51 HA ARG 51 1.224 0.857 -3.778 830 HB2 ARG 51 1HB ARG 51 3.861 1.765 -2.575 831 HB3 ARG 51 2HB ARG 51 2.450 2.792 -2.782 832 HG2 ARG 51 1HG ARG 51 1.183 1.145 -1.299 833 HG3 ARG 51 2HG ARG 51 2.757 0.425 -0.899 834 HD2 ARG 51 1HD ARG 51 3.553 2.715 -0.205 835 HD3 ARG 51 2HD ARG 51 1.910 3.324 -0.506 836 HE ARG 51 HE ARG 51 1.993 1.033 1.276 837 HH11 ARG 51 2HH2 ARG 51 2.405 4.506 1.280 838 HH12 ARG 51 1HH2 ARG 51 1.872 4.695 2.929 839 HH21 ARG 51 1HH1 ARG 51 1.454 1.295 3.435 840 HH22 ARG 51 2HH1 ARG 51 1.431 2.884 4.144 841 H LEU 52 H LEU 52 1.345 2.769 -4.950 842 HA LEU 52 HA LEU 52 3.745 3.510 -6.398 843 HB2 LEU 52 1HB LEU 52 2.652 2.293 -8.187 844 HB3 LEU 52 2HB LEU 52 1.106 3.022 -7.776 845 HG LEU 52 HG LEU 52 2.046 5.281 -8.454 846 HD11 LEU 52 1HD1 LEU 52 3.947 5.300 -10.007 847 HD12 LEU 52 2HD1 LEU 52 4.459 4.768 -8.396 848 HD13 LEU 52 3HD1 LEU 52 4.227 3.581 -9.688 849 HD21 LEU 52 3HD2 LEU 52 0.887 3.210 -9.970 850 HD22 LEU 52 1HD2 LEU 52 0.992 4.933 -10.386 851 HD23 LEU 52 2HD2 LEU 52 2.220 3.790 -10.961 852 H ASP 53 H ASP 53 3.986 5.639 -6.173 853 HA ASP 53 HA ASP 53 1.783 7.320 -5.040 854 HB2 ASP 53 1HB ASP 53 3.057 6.161 -3.279 855 HB3 ASP 53 2HB ASP 53 4.576 6.735 -3.972 856 H LYS 54 H LYS 54 1.618 9.099 -6.240 857 HA LYS 54 HA LYS 54 3.986 10.154 -7.657 858 HB2 LYS 54 1HB LYS 54 2.658 11.401 -8.930 859 HB3 LYS 54 2HB LYS 54 1.478 10.179 -8.477 860 HG2 LYS 54 1HG LYS 54 0.295 12.135 -8.263 861 HG3 LYS 54 2HG LYS 54 0.785 11.812 -6.600 862 HD2 LYS 54 1HD LYS 54 2.839 13.383 -7.169 863 HD3 LYS 54 2HD LYS 54 1.930 13.807 -8.624 864 HE2 LYS 54 1HE LYS 54 0.172 14.749 -7.433 865 HE3 LYS 54 2HE LYS 54 0.471 13.720 -6.011 866 HZ1 LYS 54 3HZ LYS 54 1.767 16.235 -6.698 867 HZ2 LYS 54 1HZ LYS 54 1.292 15.670 -5.218 868 HZ3 LYS 54 2HZ LYS 54 2.664 15.095 -5.935 869 H VAL 55 H VAL 55 5.416 11.210 -6.702 870 HA VAL 55 HA VAL 55 5.195 11.349 -3.908 871 HB VAL 55 HB VAL 55 7.525 12.020 -3.925 872 HG11 VAL 55 1HG1 VAL 55 6.889 9.681 -4.209 873 HG12 VAL 55 2HG1 VAL 55 6.935 9.886 -5.966 874 HG13 VAL 55 3HG1 VAL 55 8.417 10.074 -5.032 875 HG21 VAL 55 3HG2 VAL 55 8.782 12.379 -5.979 876 HG22 VAL 55 1HG2 VAL 55 7.294 12.287 -6.941 877 HG23 VAL 55 2HG2 VAL 55 7.542 13.630 -5.805 878 H LEU 56 H LEU 56 5.554 12.877 -2.494 879 HA LEU 56 HA LEU 56 3.898 15.117 -2.776 880 HB2 LEU 56 1HB LEU 56 4.219 13.738 -0.732 881 HB3 LEU 56 2HB LEU 56 5.887 14.317 -0.609 882 HG LEU 56 HG LEU 56 4.999 16.664 -0.303 883 HD11 LEU 56 1HD1 LEU 56 2.325 15.184 -0.279 884 HD12 LEU 56 2HD1 LEU 56 2.551 16.858 0.272 885 HD13 LEU 56 3HD1 LEU 56 2.814 16.457 -1.425 886 HD21 LEU 56 3HD2 LEU 56 4.170 16.260 1.977 887 HD22 LEU 56 1HD2 LEU 56 3.881 14.552 1.586 888 HD23 LEU 56 2HD2 LEU 56 5.540 15.189 1.614
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