NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17711 | 2ctf | 11140 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -22.243 -26.312 -7.951 2 HA2 GLY 1 1HA GLY 1 -22.196 -29.230 -7.744 3 HA3 GLY 1 2HA GLY 1 -23.570 -28.501 -8.564 4 H SER 2 H SER 2 -23.092 -27.116 -10.439 5 HA SER 2 HA SER 2 -20.527 -27.246 -11.686 6 HB2 SER 2 1HB SER 2 -22.655 -29.196 -12.480 7 HB3 SER 2 2HB SER 2 -21.603 -28.527 -13.728 8 HG SER 2 HG SER 2 -21.080 -30.469 -11.971 9 H SER 3 H SER 3 -20.716 -26.469 -14.048 10 HA SER 3 HA SER 3 -21.149 -24.584 -15.283 11 HB2 SER 3 1HB SER 3 -23.482 -24.509 -16.126 12 HB3 SER 3 2HB SER 3 -22.808 -26.138 -16.164 13 HG SER 3 HG SER 3 -24.191 -25.373 -13.869 14 H GLY 4 H GLY 4 -20.808 -23.905 -12.613 15 HA2 GLY 4 1HA GLY 4 -22.984 -22.166 -11.809 16 HA3 GLY 4 2HA GLY 4 -21.467 -22.406 -10.954 17 H SER 5 H SER 5 -22.506 -19.892 -11.177 18 HA SER 5 HA SER 5 -20.370 -18.517 -12.504 19 HB2 SER 5 1HB SER 5 -21.740 -17.191 -14.033 20 HB3 SER 5 2HB SER 5 -21.900 -18.906 -14.410 21 HG SER 5 HG SER 5 -23.799 -17.132 -13.663 22 H SER 6 H SER 6 -20.204 -16.334 -11.885 23 HA SER 6 HA SER 6 -22.221 -15.145 -10.198 24 HB2 SER 6 1HB SER 6 -19.630 -16.185 -9.077 25 HB3 SER 6 2HB SER 6 -20.441 -14.803 -8.341 26 HG SER 6 HG SER 6 -21.980 -17.064 -8.879 27 H GLY 7 H GLY 7 -21.295 -13.000 -9.252 28 HA2 GLY 7 1HA GLY 7 -19.093 -11.735 -10.448 29 HA3 GLY 7 2HA GLY 7 -20.518 -11.388 -11.418 30 H GLU 8 H GLU 8 -21.533 -9.572 -10.921 31 HA GLU 8 HA GLU 8 -21.852 -7.571 -9.802 32 HB2 GLU 8 1HB GLU 8 -23.653 -9.324 -9.142 33 HB3 GLU 8 2HB GLU 8 -22.842 -9.333 -7.582 34 HG2 GLU 8 1HG GLU 8 -24.757 -7.827 -7.601 35 HG3 GLU 8 2HG GLU 8 -23.247 -6.960 -7.322 36 HA PRO 9 HA PRO 9 -18.177 -8.220 -6.903 37 HB2 PRO 9 1HB PRO 9 -16.376 -6.784 -8.341 38 HB3 PRO 9 2HB PRO 9 -16.627 -8.518 -8.572 39 HG2 PRO 9 1HG PRO 9 -17.702 -6.222 -10.162 40 HG3 PRO 9 2HG PRO 9 -17.030 -7.760 -10.732 41 HD2 PRO 9 1HD PRO 9 -19.694 -7.296 -10.597 42 HD3 PRO 9 2HD PRO 9 -18.990 -8.907 -10.343 43 H GLU 10 H GLU 10 -16.638 -6.248 -6.241 44 HA GLU 10 HA GLU 10 -18.468 -4.061 -5.598 45 HB2 GLU 10 1HB GLU 10 -17.068 -5.344 -3.859 46 HB3 GLU 10 2HB GLU 10 -15.701 -4.426 -4.474 47 HG2 GLU 10 1HG GLU 10 -16.647 -3.401 -2.483 48 HG3 GLU 10 2HG GLU 10 -16.800 -2.347 -3.887 49 H LYS 11 H LYS 11 -18.073 -1.935 -6.085 50 HA LYS 11 HA LYS 11 -15.620 -1.197 -7.461 51 HB2 LYS 11 1HB LYS 11 -16.835 -0.219 -9.376 52 HB3 LYS 11 2HB LYS 11 -17.007 -1.968 -9.298 53 HG2 LYS 11 1HG LYS 11 -19.160 -1.391 -9.731 54 HG3 LYS 11 2HG LYS 11 -19.197 -1.345 -7.968 55 HD2 LYS 11 1HD LYS 11 -20.210 0.658 -8.535 56 HD3 LYS 11 2HD LYS 11 -18.533 1.147 -8.274 57 HE2 LYS 11 1HE LYS 11 -18.172 0.897 -10.739 58 HE3 LYS 11 2HE LYS 11 -19.908 0.641 -10.908 59 HZ1 LYS 11 1HZ LYS 11 -20.298 2.826 -9.981 60 HZ2 LYS 11 2HZ LYS 11 -19.281 2.944 -11.327 61 HZ3 LYS 11 3HZ LYS 11 -18.638 3.072 -9.769 62 H LEU 12 H LEU 12 -15.332 1.098 -7.649 63 HA LEU 12 HA LEU 12 -17.256 2.831 -6.341 64 HB2 LEU 12 1HB LEU 12 -15.649 3.696 -4.724 65 HB3 LEU 12 2HB LEU 12 -15.980 1.985 -4.462 66 HG LEU 12 HG LEU 12 -13.567 2.806 -6.026 67 HD11 LEU 12 1HD1 LEU 12 -12.259 2.942 -4.000 68 HD12 LEU 12 2HD1 LEU 12 -13.699 2.673 -3.018 69 HD13 LEU 12 3HD1 LEU 12 -13.542 4.152 -3.965 70 HD21 LEU 12 1HD2 LEU 12 -13.055 0.647 -5.871 71 HD22 LEU 12 2HD2 LEU 12 -14.681 0.385 -5.238 72 HD23 LEU 12 3HD2 LEU 12 -13.332 0.638 -4.129 73 H GLY 13 H GLY 13 -16.816 5.083 -6.652 74 HA2 GLY 13 1HA GLY 13 -14.883 6.539 -7.617 75 HA3 GLY 13 2HA GLY 13 -15.170 5.545 -9.038 76 H GLN 14 H GLN 14 -16.635 7.898 -6.857 77 HA GLN 14 HA GLN 14 -18.424 8.686 -9.059 78 HB2 GLN 14 1HB GLN 14 -19.069 8.666 -6.105 79 HB3 GLN 14 2HB GLN 14 -20.116 9.305 -7.366 80 HG2 GLN 14 1HG GLN 14 -19.220 6.440 -7.142 81 HG3 GLN 14 2HG GLN 14 -20.783 7.067 -6.621 82 HE21 GLN 14 1HE2 GLN 14 -19.661 5.191 -8.827 83 HE22 GLN 14 2HE2 GLN 14 -20.558 5.672 -10.223 84 H ALA 15 H ALA 15 -18.721 10.867 -9.395 85 HA ALA 15 HA ALA 15 -17.958 13.022 -9.550 86 HB1 ALA 15 1HB ALA 15 -17.916 13.182 -6.580 87 HB2 ALA 15 2HB ALA 15 -18.604 14.294 -7.764 88 HB3 ALA 15 3HB ALA 15 -19.437 12.787 -7.382 89 H LEU 16 H LEU 16 -15.839 11.240 -9.722 90 HA LEU 16 HA LEU 16 -13.731 12.308 -8.003 91 HB2 LEU 16 1HB LEU 16 -12.442 10.475 -8.587 92 HB3 LEU 16 2HB LEU 16 -14.078 9.820 -8.534 93 HG LEU 16 HG LEU 16 -13.987 10.344 -11.127 94 HD11 LEU 16 1HD1 LEU 16 -11.678 9.753 -11.944 95 HD12 LEU 16 2HD1 LEU 16 -11.103 10.090 -10.312 96 HD13 LEU 16 3HD1 LEU 16 -11.859 11.369 -11.260 97 HD21 LEU 16 1HD2 LEU 16 -13.922 8.107 -11.377 98 HD22 LEU 16 2HD2 LEU 16 -13.960 8.108 -9.613 99 HD23 LEU 16 3HD2 LEU 16 -12.422 7.940 -10.462 100 H THR 17 H THR 17 -12.182 13.665 -8.690 101 HA THR 17 HA THR 17 -11.777 14.083 -11.551 102 HB THR 17 HB THR 17 -11.870 16.558 -11.272 103 HG1 THR 17 1HG THR 17 -13.313 17.060 -9.299 104 HG21 THR 17 1HG2 THR 17 -13.757 15.456 -12.282 105 HG22 THR 17 2HG2 THR 17 -14.359 16.705 -11.192 106 HG23 THR 17 3HG2 THR 17 -14.399 15.012 -10.700 107 H GLU 18 H GLU 18 -9.769 15.006 -12.083 108 HA GLU 18 HA GLU 18 -7.689 14.471 -10.191 109 HB2 GLU 18 1HB GLU 18 -7.763 15.485 -13.014 110 HB3 GLU 18 2HB GLU 18 -6.267 15.537 -12.092 111 HG2 GLU 18 1HG GLU 18 -6.028 13.528 -13.127 112 HG3 GLU 18 2HG GLU 18 -6.833 13.013 -11.646 113 H VAL 19 H VAL 19 -7.975 15.893 -8.473 114 HA VAL 19 HA VAL 19 -7.573 18.748 -9.080 115 HB VAL 19 HB VAL 19 -8.536 19.236 -6.884 116 HG11 VAL 19 1HG1 VAL 19 -10.775 17.699 -7.616 117 HG12 VAL 19 2HG1 VAL 19 -10.436 19.382 -8.022 118 HG13 VAL 19 3HG1 VAL 19 -9.925 18.093 -9.110 119 HG21 VAL 19 1HG2 VAL 19 -9.397 16.395 -6.580 120 HG22 VAL 19 2HG2 VAL 19 -7.791 16.877 -6.032 121 HG23 VAL 19 3HG2 VAL 19 -9.223 17.654 -5.357 122 H TYR 20 H TYR 20 -6.316 19.970 -7.449 123 HA TYR 20 HA TYR 20 -4.286 18.345 -6.087 124 HB2 TYR 20 1HB TYR 20 -2.503 19.810 -6.902 125 HB3 TYR 20 2HB TYR 20 -3.342 19.045 -8.247 126 HD1 TYR 20 1HD TYR 20 -2.917 22.211 -6.395 127 HD2 TYR 20 2HD TYR 20 -4.504 20.342 -9.872 128 HE1 TYR 20 1HE TYR 20 -3.315 24.424 -7.394 129 HE2 TYR 20 2HE TYR 20 -4.906 22.548 -10.881 130 HH TYR 20 HH TYR 20 -3.828 24.947 -10.555 131 H ALA 21 H ALA 21 -2.861 19.844 -4.682 132 HA ALA 21 HA ALA 21 -4.316 22.142 -3.630 133 HB1 ALA 21 1HB ALA 21 -3.461 19.931 -1.777 134 HB2 ALA 21 2HB ALA 21 -4.422 21.361 -1.394 135 HB3 ALA 21 3HB ALA 21 -5.101 20.087 -2.408 136 H LYS 22 H LYS 22 -3.034 23.512 -2.287 137 HA LYS 22 HA LYS 22 -0.151 22.945 -2.306 138 HB2 LYS 22 1HB LYS 22 -1.521 25.461 -3.251 139 HB3 LYS 22 2HB LYS 22 0.182 25.416 -2.817 140 HG2 LYS 22 1HG LYS 22 -0.945 23.528 -4.850 141 HG3 LYS 22 2HG LYS 22 -0.461 25.169 -5.287 142 HD2 LYS 22 1HD LYS 22 1.789 24.767 -4.627 143 HD3 LYS 22 2HD LYS 22 1.359 23.234 -3.865 144 HE2 LYS 22 1HE LYS 22 1.148 23.829 -6.816 145 HE3 LYS 22 2HE LYS 22 2.471 22.948 -6.053 146 HZ1 LYS 22 1HZ LYS 22 0.991 21.344 -6.899 147 HZ2 LYS 22 2HZ LYS 22 -0.367 22.128 -6.267 148 HZ3 LYS 22 3HZ LYS 22 0.728 21.364 -5.228 149 H ALA 23 H ALA 23 0.277 22.735 -0.196 150 HA ALA 23 HA ALA 23 0.206 24.972 1.526 151 HB1 ALA 23 1HB ALA 23 -2.064 23.078 1.685 152 HB2 ALA 23 2HB ALA 23 -1.360 23.622 3.208 153 HB3 ALA 23 3HB ALA 23 -1.992 24.800 2.059 154 H ASN 24 H ASN 24 1.960 24.712 2.727 155 HA ASN 24 HA ASN 24 3.293 22.214 2.964 156 HB2 ASN 24 1HB ASN 24 4.231 24.664 3.032 157 HB3 ASN 24 2HB ASN 24 3.913 24.532 4.760 158 HD21 ASN 24 1HD2 ASN 24 5.287 22.489 2.198 159 HD22 ASN 24 2HD2 ASN 24 6.681 22.008 3.099 160 H SER 25 H SER 25 1.876 20.776 3.973 161 HA SER 25 HA SER 25 1.760 21.066 6.878 162 HB2 SER 25 1HB SER 25 -0.640 20.558 5.112 163 HB3 SER 25 2HB SER 25 -0.628 20.236 6.846 164 HG SER 25 HG SER 25 -0.623 22.333 7.256 165 H PHE 26 H PHE 26 1.497 19.075 8.006 166 HA PHE 26 HA PHE 26 2.735 16.863 6.660 167 HB2 PHE 26 1HB PHE 26 2.895 17.666 9.179 168 HB3 PHE 26 2HB PHE 26 1.527 16.576 9.377 169 HD1 PHE 26 2HD PHE 26 4.582 16.309 7.264 170 HD2 PHE 26 1HD PHE 26 2.298 14.706 10.478 171 HE1 PHE 26 2HE PHE 26 6.129 14.402 7.407 172 HE2 PHE 26 1HE PHE 26 3.842 12.795 10.627 173 HZ PHE 26 HZ PHE 26 5.759 12.640 9.089 174 H THR 27 H THR 27 1.748 15.278 5.611 175 HA THR 27 HA THR 27 -1.132 14.870 6.069 176 HB THR 27 HB THR 27 0.538 14.296 3.615 177 HG1 THR 27 1HG THR 27 -1.302 15.806 2.856 178 HG21 THR 27 1HG2 THR 27 -1.191 12.560 4.004 179 HG22 THR 27 2HG2 THR 27 -1.493 13.519 2.554 180 HG23 THR 27 3HG2 THR 27 -2.416 13.828 4.024 181 H VAL 28 H VAL 28 -1.772 13.019 6.952 182 HA VAL 28 HA VAL 28 0.040 10.698 6.823 183 HB VAL 28 HB VAL 28 -1.717 11.467 9.158 184 HG11 VAL 28 1HG1 VAL 28 -0.815 9.582 10.301 185 HG12 VAL 28 2HG1 VAL 28 -1.403 9.013 8.737 186 HG13 VAL 28 3HG1 VAL 28 0.324 9.258 8.995 187 HG21 VAL 28 1HG2 VAL 28 0.524 11.698 10.317 188 HG22 VAL 28 2HG2 VAL 28 1.251 11.682 8.710 189 HG23 VAL 28 3HG2 VAL 28 0.117 12.958 9.151 190 H SER 29 H SER 29 -0.870 9.245 5.525 191 HA SER 29 HA SER 29 -3.766 8.762 5.786 192 HB2 SER 29 1HB SER 29 -2.733 9.739 3.557 193 HB3 SER 29 2HB SER 29 -2.311 8.051 3.272 194 HG SER 29 HG SER 29 -4.458 7.510 3.345 195 H SER 30 H SER 30 -4.469 6.563 5.389 196 HA SER 30 HA SER 30 -2.392 4.596 6.097 197 HB2 SER 30 1HB SER 30 -4.116 3.319 7.250 198 HB3 SER 30 2HB SER 30 -4.099 4.974 7.863 199 HG SER 30 HG SER 30 -5.853 5.375 6.352 200 H VAL 31 H VAL 31 -2.604 2.459 5.228 201 HA VAL 31 HA VAL 31 -4.217 2.324 2.765 202 HB VAL 31 HB VAL 31 -1.386 1.343 3.149 203 HG11 VAL 31 1HG1 VAL 31 -2.304 1.143 0.454 204 HG12 VAL 31 2HG1 VAL 31 -1.705 -0.130 1.520 205 HG13 VAL 31 3HG1 VAL 31 -3.421 0.277 1.509 206 HG21 VAL 31 1HG2 VAL 31 -2.596 3.717 1.929 207 HG22 VAL 31 2HG2 VAL 31 -0.951 3.451 2.508 208 HG23 VAL 31 3HG2 VAL 31 -1.422 2.888 0.906 209 H ALA 32 H ALA 32 -5.647 0.734 2.853 210 HA ALA 32 HA ALA 32 -5.786 -1.189 4.873 211 HB1 ALA 32 1HB ALA 32 -7.044 -1.216 2.133 212 HB2 ALA 32 2HB ALA 32 -7.495 -2.277 3.468 213 HB3 ALA 32 3HB ALA 32 -7.738 -0.536 3.605 214 H ALA 33 H ALA 33 -4.224 -2.644 5.222 215 HA ALA 33 HA ALA 33 -3.525 -4.454 3.026 216 HB1 ALA 33 1HB ALA 33 -1.182 -4.358 3.483 217 HB2 ALA 33 2HB ALA 33 -1.754 -2.708 3.233 218 HB3 ALA 33 3HB ALA 33 -1.441 -3.295 4.866 219 HA PRO 34 HA PRO 34 -4.259 -7.543 6.078 220 HB2 PRO 34 1HB PRO 34 -2.922 -9.605 4.924 221 HB3 PRO 34 2HB PRO 34 -4.474 -9.010 4.321 222 HG2 PRO 34 1HG PRO 34 -1.709 -8.431 3.331 223 HG3 PRO 34 2HG PRO 34 -3.180 -8.782 2.403 224 HD2 PRO 34 1HD PRO 34 -2.238 -6.266 2.748 225 HD3 PRO 34 2HD PRO 34 -3.971 -6.626 2.607 226 H SER 35 H SER 35 -3.042 -9.173 7.414 227 HA SER 35 HA SER 35 -0.347 -8.156 8.044 228 HB2 SER 35 1HB SER 35 -0.784 -8.802 10.389 229 HB3 SER 35 2HB SER 35 -1.952 -7.612 9.812 230 HG SER 35 HG SER 35 -2.314 -10.386 10.216 231 H TRP 36 H TRP 36 -2.261 -10.872 7.227 232 HA TRP 36 HA TRP 36 -0.713 -12.956 8.304 233 HB2 TRP 36 1HB TRP 36 -1.769 -14.351 6.511 234 HB3 TRP 36 2HB TRP 36 -2.919 -13.419 7.467 235 HD1 TRP 36 HD TRP 36 -4.180 -11.393 6.241 236 HE1 TRP 36 1HE TRP 36 -4.576 -10.880 3.750 237 HE3 TRP 36 3HE TRP 36 -0.707 -14.543 4.203 238 HZ2 TRP 36 2HZ TRP 36 -3.552 -11.703 1.252 239 HZ3 TRP 36 3HZ TRP 36 -0.479 -14.621 1.754 240 HH2 TRP 36 HH TRP 36 -1.873 -13.230 0.311 241 H LEU 37 H LEU 37 -0.034 -10.745 5.819 242 HA LEU 37 HA LEU 37 2.131 -12.465 4.804 243 HB2 LEU 37 1HB LEU 37 2.091 -10.856 2.833 244 HB3 LEU 37 2HB LEU 37 0.759 -12.003 2.976 245 HG LEU 37 HG LEU 37 -0.495 -10.046 4.114 246 HD11 LEU 37 1HD1 LEU 37 0.199 -7.837 3.422 247 HD12 LEU 37 2HD1 LEU 37 1.600 -8.507 2.589 248 HD13 LEU 37 3HD1 LEU 37 1.489 -8.608 4.346 249 HD21 LEU 37 1HD2 LEU 37 -0.118 -10.819 1.366 250 HD22 LEU 37 2HD2 LEU 37 -0.500 -9.100 1.484 251 HD23 LEU 37 3HD2 LEU 37 -1.585 -10.297 2.194 252 H HIS 38 H HIS 38 2.136 -10.746 7.199 253 HA HIS 38 HA HIS 38 3.536 -8.354 6.753 254 HB2 HIS 38 1HB HIS 38 3.113 -10.158 9.087 255 HB3 HIS 38 2HB HIS 38 4.402 -8.962 9.199 256 HD2 HIS 38 2HD HIS 38 1.953 -7.075 7.274 257 HE1 HIS 38 1HE HIS 38 0.606 -6.638 11.273 258 HE2 HIS 38 2HE HIS 38 0.365 -5.837 8.898 259 H ARG 39 H ARG 39 4.557 -11.649 6.696 260 HA ARG 39 HA ARG 39 7.364 -11.044 7.024 261 HB2 ARG 39 1HB ARG 39 6.902 -13.158 7.840 262 HB3 ARG 39 2HB ARG 39 5.753 -13.517 6.558 263 HG2 ARG 39 1HG ARG 39 7.652 -14.895 6.220 264 HG3 ARG 39 2HG ARG 39 7.686 -13.643 4.977 265 HD2 ARG 39 1HD ARG 39 9.894 -13.774 5.753 266 HD3 ARG 39 2HD ARG 39 9.219 -12.355 6.553 267 HE ARG 39 HE ARG 39 8.809 -14.453 8.286 268 HH11 ARG 39 1HH1 ARG 39 11.547 -12.931 6.767 269 HH12 ARG 39 2HH1 ARG 39 12.637 -13.298 8.063 270 HH21 ARG 39 1HH2 ARG 39 10.233 -14.942 9.999 271 HH22 ARG 39 2HH2 ARG 39 11.888 -14.443 9.901 272 H PHE 40 H PHE 40 5.091 -11.381 4.431 273 HA PHE 40 HA PHE 40 7.157 -11.624 2.406 274 HB2 PHE 40 1HB PHE 40 4.157 -11.618 2.376 275 HB3 PHE 40 2HB PHE 40 5.051 -11.351 0.882 276 HD1 PHE 40 2HD PHE 40 6.418 -13.120 -0.083 277 HD2 PHE 40 1HD PHE 40 4.126 -13.764 3.446 278 HE1 PHE 40 2HE PHE 40 6.684 -15.550 -0.357 279 HE2 PHE 40 1HE PHE 40 4.390 -16.195 3.177 280 HZ PHE 40 HZ PHE 40 5.668 -17.092 1.273 281 H ILE 41 H ILE 41 4.826 -9.230 3.554 282 HA ILE 41 HA ILE 41 5.334 -7.265 1.603 283 HB ILE 41 HB ILE 41 3.447 -7.396 3.394 284 HG12 ILE 41 1HG1 ILE 41 4.604 -4.655 2.936 285 HG13 ILE 41 2HG1 ILE 41 3.946 -5.601 1.605 286 HG21 ILE 41 1HG2 ILE 41 5.191 -7.286 5.253 287 HG22 ILE 41 2HG2 ILE 41 5.308 -5.567 4.879 288 HG23 ILE 41 3HG2 ILE 41 3.773 -6.251 5.415 289 HD11 ILE 41 1HD1 ILE 41 1.985 -5.712 3.556 290 HD12 ILE 41 2HD1 ILE 41 2.585 -4.053 3.619 291 HD13 ILE 41 3HD1 ILE 41 1.980 -4.717 2.100 292 H ILE 42 H ILE 42 7.007 -8.157 4.528 293 HA ILE 42 HA ILE 42 8.661 -5.771 4.507 294 HB ILE 42 HB ILE 42 8.750 -8.231 6.257 295 HG12 ILE 42 1HG1 ILE 42 7.916 -5.403 6.928 296 HG13 ILE 42 2HG1 ILE 42 6.784 -6.682 6.504 297 HG21 ILE 42 1HG2 ILE 42 10.858 -7.604 6.669 298 HG22 ILE 42 2HG2 ILE 42 10.638 -6.033 5.902 299 HG23 ILE 42 3HG2 ILE 42 10.136 -6.274 7.574 300 HD11 ILE 42 1HD1 ILE 42 6.955 -7.678 8.512 301 HD12 ILE 42 2HD1 ILE 42 8.670 -7.297 8.678 302 HD13 ILE 42 3HD1 ILE 42 7.456 -6.064 9.018 303 H GLY 43 H GLY 43 9.114 -9.276 4.064 304 HA2 GLY 43 1HA GLY 43 10.500 -10.031 2.208 305 HA3 GLY 43 2HA GLY 43 11.541 -8.647 2.506 306 H LYS 44 H LYS 44 12.265 -11.456 2.358 307 HA LYS 44 HA LYS 44 12.662 -12.660 4.832 308 HB2 LYS 44 1HB LYS 44 14.341 -12.758 2.324 309 HB3 LYS 44 2HB LYS 44 14.615 -13.798 3.716 310 HG2 LYS 44 1HG LYS 44 12.145 -14.475 3.414 311 HG3 LYS 44 2HG LYS 44 12.319 -13.779 1.801 312 HD2 LYS 44 1HD LYS 44 14.310 -15.264 1.469 313 HD3 LYS 44 2HD LYS 44 13.906 -16.045 3.000 314 HE2 LYS 44 1HE LYS 44 12.813 -17.442 1.568 315 HE3 LYS 44 2HE LYS 44 11.535 -16.260 1.844 316 HZ1 LYS 44 1HZ LYS 44 11.642 -16.587 -0.466 317 HZ2 LYS 44 2HZ LYS 44 13.329 -16.483 -0.500 318 HZ3 LYS 44 3HZ LYS 44 12.404 -15.100 -0.197 319 H LYS 45 H LYS 45 14.775 -10.407 3.076 320 HA LYS 45 HA LYS 45 16.248 -9.971 5.593 321 HB2 LYS 45 1HB LYS 45 17.225 -9.907 2.738 322 HB3 LYS 45 2HB LYS 45 18.150 -9.243 4.079 323 HG2 LYS 45 1HG LYS 45 18.168 -11.459 5.139 324 HG3 LYS 45 2HG LYS 45 17.291 -12.112 3.754 325 HD2 LYS 45 1HD LYS 45 19.889 -10.658 3.393 326 HD3 LYS 45 2HD LYS 45 19.858 -12.369 3.827 327 HE2 LYS 45 1HE LYS 45 18.273 -11.336 1.502 328 HE3 LYS 45 2HE LYS 45 19.985 -11.715 1.331 329 HZ1 LYS 45 1HZ LYS 45 19.538 -13.872 1.256 330 HZ2 LYS 45 2HZ LYS 45 17.898 -13.477 1.134 331 HZ3 LYS 45 3HZ LYS 45 18.576 -13.811 2.646 332 H GLY 46 H GLY 46 13.927 -8.566 5.151 333 HA2 GLY 46 1HA GLY 46 13.044 -6.453 4.786 334 HA3 GLY 46 2HA GLY 46 14.474 -5.988 5.698 335 H GLN 47 H GLN 47 13.349 -6.682 2.404 336 HA GLN 47 HA GLN 47 15.384 -4.803 1.407 337 HB2 GLN 47 1HB GLN 47 15.269 -7.310 0.642 338 HB3 GLN 47 2HB GLN 47 13.959 -6.734 -0.379 339 HG2 GLN 47 1HG GLN 47 16.126 -6.792 -1.535 340 HG3 GLN 47 2HG GLN 47 15.424 -5.176 -1.470 341 HE21 GLN 47 1HE2 GLN 47 16.338 -3.633 -0.073 342 HE22 GLN 47 2HE2 GLN 47 17.956 -3.794 0.509 343 H ASN 48 H ASN 48 12.027 -5.867 0.974 344 HA ASN 48 HA ASN 48 11.213 -3.986 -0.898 345 HB2 ASN 48 1HB ASN 48 9.629 -5.220 1.367 346 HB3 ASN 48 2HB ASN 48 8.922 -4.343 0.013 347 HD21 ASN 48 1HD2 ASN 48 10.035 -7.320 1.149 348 HD22 ASN 48 2HD2 ASN 48 9.900 -8.211 -0.324 349 H LEU 49 H LEU 49 11.014 -3.772 2.653 350 HA LEU 49 HA LEU 49 10.010 -1.130 2.699 351 HB2 LEU 49 1HB LEU 49 11.297 -2.930 4.706 352 HB3 LEU 49 2HB LEU 49 11.025 -1.235 5.100 353 HG LEU 49 HG LEU 49 8.839 -3.130 4.256 354 HD11 LEU 49 1HD1 LEU 49 9.390 -2.216 7.062 355 HD12 LEU 49 2HD1 LEU 49 10.042 -3.723 6.418 356 HD13 LEU 49 3HD1 LEU 49 8.296 -3.485 6.510 357 HD21 LEU 49 1HD2 LEU 49 8.911 -0.321 5.316 358 HD22 LEU 49 2HD2 LEU 49 7.470 -1.330 5.440 359 HD23 LEU 49 3HD2 LEU 49 8.133 -0.930 3.855 360 H ALA 50 H ALA 50 13.286 -2.388 3.327 361 HA ALA 50 HA ALA 50 14.622 -0.031 3.771 362 HB1 ALA 50 1HB ALA 50 15.352 -2.710 2.882 363 HB2 ALA 50 2HB ALA 50 16.451 -1.457 2.304 364 HB3 ALA 50 3HB ALA 50 16.152 -1.638 4.033 365 H LYS 51 H LYS 51 13.956 -1.555 0.630 366 HA LYS 51 HA LYS 51 15.275 0.304 -0.984 367 HB2 LYS 51 1HB LYS 51 13.043 -1.635 -1.414 368 HB3 LYS 51 2HB LYS 51 13.384 -0.452 -2.669 369 HG2 LYS 51 1HG LYS 51 15.494 -2.260 -1.528 370 HG3 LYS 51 2HG LYS 51 14.495 -2.702 -2.915 371 HD2 LYS 51 1HD LYS 51 16.051 -0.134 -2.848 372 HD3 LYS 51 2HD LYS 51 16.789 -1.649 -3.372 373 HE2 LYS 51 1HE LYS 51 15.375 -1.833 -5.221 374 HE3 LYS 51 2HE LYS 51 14.203 -0.699 -4.553 375 HZ1 LYS 51 1HZ LYS 51 16.941 0.134 -5.305 376 HZ2 LYS 51 2HZ LYS 51 15.586 1.110 -5.035 377 HZ3 LYS 51 3HZ LYS 51 15.666 0.138 -6.417 378 H ILE 52 H ILE 52 11.764 0.122 -0.361 379 HA ILE 52 HA ILE 52 11.009 2.481 -1.559 380 HB ILE 52 HB ILE 52 9.857 1.230 0.937 381 HG12 ILE 52 1HG1 ILE 52 8.806 1.091 -1.887 382 HG13 ILE 52 2HG1 ILE 52 9.930 -0.100 -1.243 383 HG21 ILE 52 1HG2 ILE 52 7.768 2.504 0.010 384 HG22 ILE 52 2HG2 ILE 52 8.942 3.336 1.028 385 HG23 ILE 52 3HG2 ILE 52 8.986 3.550 -0.721 386 HD11 ILE 52 1HD1 ILE 52 8.100 -0.199 0.679 387 HD12 ILE 52 2HD1 ILE 52 7.068 0.327 -0.651 388 HD13 ILE 52 3HD1 ILE 52 7.992 -1.168 -0.791 389 H THR 53 H THR 53 11.694 2.068 1.920 390 HA THR 53 HA THR 53 11.524 4.733 2.662 391 HB THR 53 HB THR 53 13.098 4.122 4.537 392 HG1 THR 53 1HG THR 53 13.324 1.854 2.918 393 HG21 THR 53 1HG2 THR 53 10.789 3.864 4.969 394 HG22 THR 53 2HG2 THR 53 11.533 2.346 5.471 395 HG23 THR 53 3HG2 THR 53 10.675 2.442 3.933 396 H GLN 54 H GLN 54 14.240 2.959 1.284 397 HA GLN 54 HA GLN 54 16.248 4.860 1.679 398 HB2 GLN 54 1HB GLN 54 16.698 2.570 0.929 399 HB3 GLN 54 2HB GLN 54 15.919 2.912 -0.610 400 HG2 GLN 54 1HG GLN 54 18.347 2.966 -0.791 401 HG3 GLN 54 2HG GLN 54 17.631 4.536 -1.150 402 HE21 GLN 54 1HE2 GLN 54 19.859 5.245 -0.741 403 HE22 GLN 54 2HE2 GLN 54 20.324 5.600 0.884 404 H GLN 55 H GLN 55 13.909 4.500 -0.952 405 HA GLN 55 HA GLN 55 14.951 6.779 -2.382 406 HB2 GLN 55 1HB GLN 55 14.014 4.967 -3.669 407 HB3 GLN 55 2HB GLN 55 12.490 5.078 -2.798 408 HG2 GLN 55 1HG GLN 55 12.187 6.073 -4.931 409 HG3 GLN 55 2HG GLN 55 12.199 7.365 -3.732 410 HE21 GLN 55 1HE2 GLN 55 13.223 6.582 -6.706 411 HE22 GLN 55 2HE2 GLN 55 14.629 7.577 -6.824 412 H MET 56 H MET 56 12.372 6.109 -0.124 413 HA MET 56 HA MET 56 11.714 8.977 -0.119 414 HB2 MET 56 1HB MET 56 9.745 6.706 0.214 415 HB3 MET 56 2HB MET 56 9.366 8.420 0.315 416 HG2 MET 56 1HG MET 56 8.706 7.941 -1.820 417 HG3 MET 56 2HG MET 56 10.355 8.499 -2.090 418 HE1 MET 56 1HE MET 56 8.200 4.814 -2.175 419 HE2 MET 56 2HE MET 56 7.810 6.395 -2.852 420 HE3 MET 56 3HE MET 56 8.522 5.148 -3.877 421 HA PRO 57 HA PRO 57 13.014 7.630 4.107 422 HB2 PRO 57 1HB PRO 57 14.442 9.882 4.623 423 HB3 PRO 57 2HB PRO 57 15.118 8.488 3.771 424 HG2 PRO 57 1HG PRO 57 14.040 11.049 2.656 425 HG3 PRO 57 2HG PRO 57 15.499 10.152 2.193 426 HD2 PRO 57 1HD PRO 57 13.193 10.016 0.778 427 HD3 PRO 57 2HD PRO 57 14.317 8.648 0.907 428 H LYS 58 H LYS 58 11.834 10.756 2.931 429 HA LYS 58 HA LYS 58 10.998 11.850 5.352 430 HB2 LYS 58 1HB LYS 58 10.232 12.226 2.498 431 HB3 LYS 58 2HB LYS 58 9.173 12.909 3.725 432 HG2 LYS 58 1HG LYS 58 11.469 13.850 4.652 433 HG3 LYS 58 2HG LYS 58 11.934 13.667 2.959 434 HD2 LYS 58 1HD LYS 58 11.087 15.788 2.892 435 HD3 LYS 58 2HD LYS 58 9.612 14.875 2.568 436 HE2 LYS 58 1HE LYS 58 8.998 15.005 4.921 437 HE3 LYS 58 2HE LYS 58 10.495 15.866 5.278 438 HZ1 LYS 58 1HZ LYS 58 8.248 16.827 3.592 439 HZ2 LYS 58 2HZ LYS 58 9.727 17.633 3.750 440 HZ3 LYS 58 3HZ LYS 58 8.723 17.437 5.097 441 H VAL 59 H VAL 59 9.483 9.463 3.287 442 HA VAL 59 HA VAL 59 6.977 9.517 4.717 443 HB VAL 59 HB VAL 59 8.024 7.588 2.642 444 HG11 VAL 59 1HG1 VAL 59 5.538 7.014 2.468 445 HG12 VAL 59 2HG1 VAL 59 6.430 6.361 3.844 446 HG13 VAL 59 3HG1 VAL 59 5.381 7.764 4.057 447 HG21 VAL 59 1HG2 VAL 59 6.281 8.755 1.229 448 HG22 VAL 59 2HG2 VAL 59 6.196 9.974 2.499 449 HG23 VAL 59 3HG2 VAL 59 7.709 9.706 1.635 450 H HIS 60 H HIS 60 6.352 8.236 6.357 451 HA HIS 60 HA HIS 60 8.303 6.265 7.343 452 HB2 HIS 60 1HB HIS 60 7.663 8.266 8.795 453 HB3 HIS 60 2HB HIS 60 6.082 7.510 8.960 454 HD1 HIS 60 1HD HIS 60 9.631 6.153 9.290 455 HD2 HIS 60 2HD HIS 60 6.019 6.256 11.342 456 HE1 HIS 60 1HE HIS 60 10.012 4.818 11.388 457 H ILE 61 H ILE 61 7.788 4.210 7.036 458 HA ILE 61 HA ILE 61 5.010 3.481 6.512 459 HB ILE 61 HB ILE 61 7.533 1.840 6.264 460 HG12 ILE 61 1HG1 ILE 61 5.781 3.009 4.095 461 HG13 ILE 61 2HG1 ILE 61 7.274 3.751 4.657 462 HG21 ILE 61 1HG2 ILE 61 5.450 0.743 4.734 463 HG22 ILE 61 2HG2 ILE 61 6.213 0.060 6.169 464 HG23 ILE 61 3HG2 ILE 61 4.776 1.070 6.330 465 HD11 ILE 61 1HD1 ILE 61 8.272 1.390 4.078 466 HD12 ILE 61 2HD1 ILE 61 6.865 1.315 3.017 467 HD13 ILE 61 3HD1 ILE 61 8.036 2.621 2.837 468 H GLU 62 H GLU 62 3.773 2.804 8.122 469 HA GLU 62 HA GLU 62 5.048 1.448 10.406 470 HB2 GLU 62 1HB GLU 62 3.930 3.630 10.898 471 HB3 GLU 62 2HB GLU 62 2.408 2.918 10.381 472 HG2 GLU 62 1HG GLU 62 2.345 2.740 12.690 473 HG3 GLU 62 2HG GLU 62 2.855 1.137 12.164 474 H PHE 63 H PHE 63 4.090 -0.403 11.265 475 HA PHE 63 HA PHE 63 1.981 -1.628 9.615 476 HB2 PHE 63 1HB PHE 63 4.629 -2.702 10.441 477 HB3 PHE 63 2HB PHE 63 3.270 -3.821 10.439 478 HD1 PHE 63 2HD PHE 63 1.815 -3.786 8.251 479 HD2 PHE 63 1HD PHE 63 5.840 -2.426 8.510 480 HE1 PHE 63 2HE PHE 63 2.071 -4.092 5.824 481 HE2 PHE 63 1HE PHE 63 6.102 -2.729 6.082 482 HZ PHE 63 HZ PHE 63 4.216 -3.564 4.736 483 H THR 64 H THR 64 0.325 -2.560 10.680 484 HA THR 64 HA THR 64 0.499 -2.652 13.622 485 HB THR 64 HB THR 64 -2.004 -2.373 13.588 486 HG1 THR 64 1HG THR 64 -1.450 -1.838 10.845 487 HG21 THR 64 1HG2 THR 64 -1.735 -0.155 13.869 488 HG22 THR 64 2HG2 THR 64 -1.058 0.066 12.255 489 HG23 THR 64 3HG2 THR 64 -0.029 -0.491 13.575 490 H GLU 65 H GLU 65 -0.418 -4.398 14.707 491 HA GLU 65 HA GLU 65 -0.605 -6.827 13.122 492 HB2 GLU 65 1HB GLU 65 0.729 -6.703 15.243 493 HB3 GLU 65 2HB GLU 65 -0.782 -6.520 16.122 494 HG2 GLU 65 1HG GLU 65 0.217 -8.839 16.044 495 HG3 GLU 65 2HG GLU 65 -1.482 -8.692 15.598 496 H GLY 66 H GLY 66 -2.624 -4.899 15.299 497 HA2 GLY 66 1HA GLY 66 -4.896 -6.674 14.849 498 HA3 GLY 66 2HA GLY 66 -4.846 -5.308 15.954 499 H GLU 67 H GLU 67 -4.269 -3.175 14.529 500 HA GLU 67 HA GLU 67 -6.602 -2.460 13.249 501 HB2 GLU 67 1HB GLU 67 -3.828 -1.347 12.798 502 HB3 GLU 67 2HB GLU 67 -5.319 -0.565 12.292 503 HG2 GLU 67 1HG GLU 67 -4.461 -1.142 15.117 504 HG3 GLU 67 2HG GLU 67 -4.521 0.433 14.329 505 H ASP 68 H ASP 68 -4.007 -4.348 12.046 506 HA ASP 68 HA ASP 68 -3.488 -5.194 9.987 507 HB2 ASP 68 1HB ASP 68 -6.508 -5.156 9.866 508 HB3 ASP 68 2HB ASP 68 -5.490 -5.999 8.702 509 H LYS 69 H LYS 69 -2.974 -2.592 9.890 510 HA LYS 69 HA LYS 69 -3.549 -1.928 7.135 511 HB2 LYS 69 1HB LYS 69 -4.530 0.206 7.514 512 HB3 LYS 69 2HB LYS 69 -5.438 -0.942 8.489 513 HG2 LYS 69 1HG LYS 69 -4.377 -0.215 10.486 514 HG3 LYS 69 2HG LYS 69 -3.207 0.750 9.583 515 HD2 LYS 69 1HD LYS 69 -5.336 1.955 8.669 516 HD3 LYS 69 2HD LYS 69 -6.103 1.275 10.106 517 HE2 LYS 69 1HE LYS 69 -3.504 2.689 10.423 518 HE3 LYS 69 2HE LYS 69 -4.950 3.655 10.137 519 HZ1 LYS 69 1HZ LYS 69 -5.897 2.984 12.110 520 HZ2 LYS 69 2HZ LYS 69 -4.264 3.088 12.541 521 HZ3 LYS 69 3HZ LYS 69 -4.960 1.579 12.225 522 H ILE 70 H ILE 70 -2.340 0.087 6.475 523 HA ILE 70 HA ILE 70 0.179 0.263 7.995 524 HB ILE 70 HB ILE 70 -0.233 0.581 5.021 525 HG12 ILE 70 1HG1 ILE 70 1.373 -1.527 6.464 526 HG13 ILE 70 2HG1 ILE 70 -0.315 -1.761 6.022 527 HG21 ILE 70 1HG2 ILE 70 1.721 1.626 4.926 528 HG22 ILE 70 2HG2 ILE 70 1.770 1.647 6.688 529 HG23 ILE 70 3HG2 ILE 70 2.501 0.309 5.801 530 HD11 ILE 70 1HD1 ILE 70 1.349 -0.853 3.810 531 HD12 ILE 70 2HD1 ILE 70 1.837 -2.410 4.481 532 HD13 ILE 70 3HD1 ILE 70 0.189 -2.179 3.896 533 H THR 71 H THR 71 0.605 2.170 8.869 534 HA THR 71 HA THR 71 -0.890 4.518 7.964 535 HB THR 71 HB THR 71 0.812 4.175 10.441 536 HG1 THR 71 1HG THR 71 -1.294 2.961 10.174 537 HG21 THR 71 1HG2 THR 71 0.749 6.471 10.075 538 HG22 THR 71 2HG2 THR 71 -0.649 6.212 11.119 539 HG23 THR 71 3HG2 THR 71 -0.870 6.417 9.382 540 H LEU 72 H LEU 72 0.034 5.971 6.688 541 HA LEU 72 HA LEU 72 2.969 6.046 6.532 542 HB2 LEU 72 1HB LEU 72 0.835 6.803 4.552 543 HB3 LEU 72 2HB LEU 72 2.533 7.225 4.340 544 HG LEU 72 HG LEU 72 2.077 5.302 3.007 545 HD11 LEU 72 1HD1 LEU 72 3.449 4.281 5.483 546 HD12 LEU 72 2HD1 LEU 72 4.207 5.386 4.338 547 HD13 LEU 72 3HD1 LEU 72 3.707 3.779 3.812 548 HD21 LEU 72 1HD2 LEU 72 1.231 3.714 5.397 549 HD22 LEU 72 2HD2 LEU 72 0.945 3.400 3.684 550 HD23 LEU 72 3HD2 LEU 72 0.056 4.682 4.507 551 H GLU 73 H GLU 73 4.077 7.958 6.736 552 HA GLU 73 HA GLU 73 2.507 10.368 7.339 553 HB2 GLU 73 1HB GLU 73 4.885 9.387 8.929 554 HB3 GLU 73 2HB GLU 73 4.032 10.902 9.191 555 HG2 GLU 73 1HG GLU 73 2.133 9.834 10.015 556 HG3 GLU 73 2HG GLU 73 2.605 8.276 9.337 557 H GLY 74 H GLY 74 3.170 12.113 6.261 558 HA2 GLY 74 1HA GLY 74 5.612 13.151 5.842 559 HA3 GLY 74 2HA GLY 74 5.536 11.913 4.595 560 HA PRO 75 HA PRO 75 3.769 15.876 2.913 561 HB2 PRO 75 1HB PRO 75 5.257 15.865 0.641 562 HB3 PRO 75 2HB PRO 75 5.818 16.589 2.154 563 HG2 PRO 75 1HG PRO 75 6.462 13.910 0.981 564 HG3 PRO 75 2HG PRO 75 7.543 15.080 1.761 565 HD2 PRO 75 1HD PRO 75 6.584 12.899 3.049 566 HD3 PRO 75 2HD PRO 75 6.921 14.429 3.884 567 H THR 76 H THR 76 1.908 15.703 1.848 568 HA THR 76 HA THR 76 0.726 13.489 0.861 569 HB THR 76 HB THR 76 -0.490 15.580 1.042 570 HG1 THR 76 1HG THR 76 -1.661 15.401 -0.922 571 HG21 THR 76 1HG2 THR 76 1.619 16.748 -0.207 572 HG22 THR 76 2HG2 THR 76 0.035 17.502 -0.019 573 HG23 THR 76 3HG2 THR 76 0.447 16.677 -1.521 574 H GLU 77 H GLU 77 3.203 15.356 -0.720 575 HA GLU 77 HA GLU 77 2.852 14.375 -3.345 576 HB2 GLU 77 1HB GLU 77 4.182 16.360 -2.911 577 HB3 GLU 77 2HB GLU 77 5.323 15.423 -1.957 578 HG2 GLU 77 1HG GLU 77 6.317 14.500 -3.785 579 HG3 GLU 77 2HG GLU 77 4.859 14.602 -4.769 580 H ASP 78 H ASP 78 5.273 13.457 -0.888 581 HA ASP 78 HA ASP 78 6.089 11.137 -2.340 582 HB2 ASP 78 1HB ASP 78 7.453 12.517 -0.641 583 HB3 ASP 78 2HB ASP 78 6.601 11.591 0.591 584 H VAL 79 H VAL 79 4.137 11.665 0.580 585 HA VAL 79 HA VAL 79 3.632 9.088 1.356 586 HB VAL 79 HB VAL 79 1.629 11.348 1.309 587 HG11 VAL 79 1HG1 VAL 79 0.874 8.886 1.706 588 HG12 VAL 79 2HG1 VAL 79 1.616 9.113 3.291 589 HG13 VAL 79 3HG1 VAL 79 0.298 10.164 2.775 590 HG21 VAL 79 1HG2 VAL 79 2.360 11.690 3.654 591 HG22 VAL 79 2HG2 VAL 79 3.638 10.504 3.395 592 HG23 VAL 79 3HG2 VAL 79 3.633 12.008 2.474 593 H SER 80 H SER 80 2.241 10.837 -1.349 594 HA SER 80 HA SER 80 0.197 8.947 -1.930 595 HB2 SER 80 1HB SER 80 0.301 11.373 -2.704 596 HB3 SER 80 2HB SER 80 1.467 10.837 -3.914 597 HG SER 80 HG SER 80 -1.174 10.722 -4.033 598 H VAL 81 H VAL 81 3.488 9.444 -3.130 599 HA VAL 81 HA VAL 81 3.386 7.391 -5.093 600 HB VAL 81 HB VAL 81 5.767 8.660 -3.735 601 HG11 VAL 81 1HG1 VAL 81 6.985 7.063 -4.692 602 HG12 VAL 81 2HG1 VAL 81 5.577 6.413 -5.536 603 HG13 VAL 81 3HG1 VAL 81 6.508 7.728 -6.254 604 HG21 VAL 81 1HG2 VAL 81 4.349 9.240 -6.328 605 HG22 VAL 81 2HG2 VAL 81 4.528 10.309 -4.938 606 HG23 VAL 81 3HG2 VAL 81 5.936 9.887 -5.913 607 H ALA 82 H ALA 82 4.470 7.511 -1.733 608 HA ALA 82 HA ALA 82 5.556 4.890 -1.668 609 HB1 ALA 82 1HB ALA 82 4.599 5.735 0.908 610 HB2 ALA 82 2HB ALA 82 6.256 5.540 0.336 611 HB3 ALA 82 3HB ALA 82 5.410 7.066 0.083 612 H GLN 83 H GLN 83 2.509 6.174 -0.318 613 HA GLN 83 HA GLN 83 1.417 3.769 0.514 614 HB2 GLN 83 1HB GLN 83 -0.621 4.890 0.727 615 HB3 GLN 83 2HB GLN 83 0.570 6.175 0.870 616 HG2 GLN 83 1HG GLN 83 0.153 6.932 -1.332 617 HG3 GLN 83 2HG GLN 83 -0.795 5.497 -1.716 618 HE21 GLN 83 1HE2 GLN 83 -2.891 5.309 -0.919 619 HE22 GLN 83 2HE2 GLN 83 -3.763 6.668 -0.305 620 H GLU 84 H GLU 84 1.568 5.166 -2.685 621 HA GLU 84 HA GLU 84 -0.334 3.397 -3.874 622 HB2 GLU 84 1HB GLU 84 0.401 5.669 -4.760 623 HB3 GLU 84 2HB GLU 84 1.867 4.872 -5.312 624 HG2 GLU 84 1HG GLU 84 0.439 3.312 -6.628 625 HG3 GLU 84 2HG GLU 84 -0.952 4.301 -6.184 626 H GLN 85 H GLN 85 3.211 3.494 -3.737 627 HA GLN 85 HA GLN 85 3.743 1.291 -5.355 628 HB2 GLN 85 1HB GLN 85 5.208 2.639 -3.124 629 HB3 GLN 85 2HB GLN 85 5.820 1.112 -3.744 630 HG2 GLN 85 1HG GLN 85 5.516 2.357 -6.060 631 HG3 GLN 85 2HG GLN 85 5.705 3.776 -5.031 632 HE21 GLN 85 1HE2 GLN 85 7.687 4.398 -5.737 633 HE22 GLN 85 2HE2 GLN 85 9.125 3.468 -5.507 634 H ILE 86 H ILE 86 2.626 1.466 -2.065 635 HA ILE 86 HA ILE 86 3.196 -1.294 -1.467 636 HB ILE 86 HB ILE 86 1.388 0.601 0.035 637 HG12 ILE 86 1HG1 ILE 86 4.305 0.001 0.560 638 HG13 ILE 86 2HG1 ILE 86 3.736 1.445 -0.272 639 HG21 ILE 86 1HG2 ILE 86 1.641 -2.090 0.333 640 HG22 ILE 86 2HG2 ILE 86 2.851 -1.494 1.468 641 HG23 ILE 86 3HG2 ILE 86 1.172 -0.975 1.617 642 HD11 ILE 86 1HD1 ILE 86 3.823 0.832 2.565 643 HD12 ILE 86 2HD1 ILE 86 3.717 2.388 1.739 644 HD13 ILE 86 3HD1 ILE 86 2.256 1.445 2.037 645 H GLU 87 H GLU 87 0.413 0.600 -2.493 646 HA GLU 87 HA GLU 87 -1.551 -1.385 -2.130 647 HB2 GLU 87 1HB GLU 87 -1.377 1.046 -3.892 648 HB3 GLU 87 2HB GLU 87 -2.765 -0.032 -3.963 649 HG2 GLU 87 1HG GLU 87 -2.895 0.326 -1.417 650 HG3 GLU 87 2HG GLU 87 -1.852 1.715 -1.716 651 H GLY 88 H GLY 88 0.930 -1.012 -4.476 652 HA2 GLY 88 1HA GLY 88 -0.365 -2.676 -6.470 653 HA3 GLY 88 2HA GLY 88 1.256 -2.004 -6.561 654 H MET 89 H MET 89 2.389 -2.974 -4.241 655 HA MET 89 HA MET 89 3.052 -5.618 -5.016 656 HB2 MET 89 1HB MET 89 4.397 -5.650 -2.935 657 HB3 MET 89 2HB MET 89 4.692 -4.221 -3.918 658 HG2 MET 89 1HG MET 89 2.973 -3.068 -2.412 659 HG3 MET 89 2HG MET 89 3.196 -4.444 -1.336 660 HE1 MET 89 1HE MET 89 6.333 -3.952 0.439 661 HE2 MET 89 2HE MET 89 4.695 -3.477 0.886 662 HE3 MET 89 3HE MET 89 4.966 -4.974 -0.007 663 H VAL 90 H VAL 90 0.978 -4.272 -2.503 664 HA VAL 90 HA VAL 90 0.478 -6.651 -1.092 665 HB VAL 90 HB VAL 90 -1.097 -4.106 -1.389 666 HG11 VAL 90 1HG1 VAL 90 -2.225 -5.307 0.765 667 HG12 VAL 90 2HG1 VAL 90 -2.922 -5.308 -0.856 668 HG13 VAL 90 3HG1 VAL 90 -1.975 -6.688 -0.301 669 HG21 VAL 90 1HG2 VAL 90 0.052 -5.209 1.139 670 HG22 VAL 90 2HG2 VAL 90 1.100 -4.398 -0.025 671 HG23 VAL 90 3HG2 VAL 90 -0.261 -3.533 0.688 672 H LYS 91 H LYS 91 -0.953 -5.287 -3.988 673 HA LYS 91 HA LYS 91 -3.172 -7.083 -4.088 674 HB2 LYS 91 1HB LYS 91 -3.368 -4.992 -5.235 675 HB3 LYS 91 2HB LYS 91 -1.898 -5.288 -6.154 676 HG2 LYS 91 1HG LYS 91 -3.437 -5.801 -7.739 677 HG3 LYS 91 2HG LYS 91 -3.268 -7.389 -6.986 678 HD2 LYS 91 1HD LYS 91 -5.313 -7.270 -5.954 679 HD3 LYS 91 2HD LYS 91 -5.298 -5.505 -5.891 680 HE2 LYS 91 1HE LYS 91 -5.525 -7.014 -8.480 681 HE3 LYS 91 2HE LYS 91 -6.937 -6.609 -7.506 682 HZ1 LYS 91 1HZ LYS 91 -5.898 -5.023 -9.397 683 HZ2 LYS 91 2HZ LYS 91 -5.142 -4.401 -8.017 684 HZ3 LYS 91 3HZ LYS 91 -6.831 -4.466 -8.099 685 H ASP 92 H ASP 92 -0.024 -6.949 -5.725 686 HA ASP 92 HA ASP 92 -0.340 -9.193 -7.356 687 HB2 ASP 92 1HB ASP 92 1.531 -7.450 -7.389 688 HB3 ASP 92 2HB ASP 92 2.282 -8.389 -6.102 689 H LEU 93 H LEU 93 0.864 -8.922 -4.038 690 HA LEU 93 HA LEU 93 1.682 -11.565 -3.678 691 HB2 LEU 93 1HB LEU 93 0.575 -9.557 -1.727 692 HB3 LEU 93 2HB LEU 93 1.229 -11.121 -1.242 693 HG LEU 93 HG LEU 93 2.841 -9.069 -2.744 694 HD11 LEU 93 1HD1 LEU 93 2.832 -7.831 -0.896 695 HD12 LEU 93 2HD1 LEU 93 3.757 -9.127 -0.138 696 HD13 LEU 93 3HD1 LEU 93 2.002 -9.081 0.030 697 HD21 LEU 93 1HD2 LEU 93 4.715 -10.376 -1.711 698 HD22 LEU 93 2HD2 LEU 93 3.771 -11.251 -2.917 699 HD23 LEU 93 3HD2 LEU 93 3.515 -11.564 -1.200 700 H ILE 94 H ILE 94 -1.475 -10.062 -3.039 701 HA ILE 94 HA ILE 94 -2.729 -12.409 -2.090 702 HB ILE 94 HB ILE 94 -3.927 -9.933 -3.334 703 HG12 ILE 94 1HG1 ILE 94 -3.986 -10.704 -0.430 704 HG13 ILE 94 2HG1 ILE 94 -2.595 -9.864 -1.107 705 HG21 ILE 94 1HG2 ILE 94 -6.058 -10.641 -2.526 706 HG22 ILE 94 2HG2 ILE 94 -5.384 -11.958 -3.485 707 HG23 ILE 94 3HG2 ILE 94 -5.350 -12.042 -1.724 708 HD11 ILE 94 1HD1 ILE 94 -4.963 -8.505 -1.907 709 HD12 ILE 94 2HD1 ILE 94 -5.005 -8.768 -0.162 710 HD13 ILE 94 3HD1 ILE 94 -3.636 -7.932 -0.895 711 H ASN 95 H ASN 95 -2.743 -10.852 -5.290 712 HA ASN 95 HA ASN 95 -4.452 -12.539 -6.635 713 HB2 ASN 95 1HB ASN 95 -1.958 -11.135 -7.599 714 HB3 ASN 95 2HB ASN 95 -3.058 -11.984 -8.681 715 HD21 ASN 95 1HD2 ASN 95 -2.569 -9.347 -9.059 716 HD22 ASN 95 2HD2 ASN 95 -3.967 -8.416 -8.655 717 H ARG 96 H ARG 96 -1.009 -12.993 -5.962 718 HA ARG 96 HA ARG 96 -0.618 -15.316 -7.477 719 HB2 ARG 96 1HB ARG 96 0.746 -14.194 -5.045 720 HB3 ARG 96 2HB ARG 96 1.235 -15.740 -5.726 721 HG2 ARG 96 1HG ARG 96 1.059 -13.347 -7.496 722 HG3 ARG 96 2HG ARG 96 2.450 -13.551 -6.429 723 HD2 ARG 96 1HD ARG 96 1.491 -15.624 -8.396 724 HD3 ARG 96 2HD ARG 96 2.782 -14.468 -8.720 725 HE ARG 96 HE ARG 96 2.925 -16.817 -7.044 726 HH11 ARG 96 1HH1 ARG 96 4.353 -13.755 -7.885 727 HH12 ARG 96 2HH1 ARG 96 5.921 -14.172 -7.274 728 HH21 ARG 96 1HH2 ARG 96 4.983 -17.376 -6.237 729 HH22 ARG 96 2HH2 ARG 96 6.278 -16.232 -6.338 730 H SER 97 H SER 97 -1.362 -14.972 -4.009 731 HA SER 97 HA SER 97 -1.625 -17.760 -3.553 732 HB2 SER 97 1HB SER 97 -1.143 -16.150 -1.744 733 HB3 SER 97 2HB SER 97 -2.748 -15.448 -1.948 734 HG SER 97 HG SER 97 -2.017 -17.957 -0.915 735 H GLY 98 H GLY 98 -3.197 -19.056 -4.212 736 HA2 GLY 98 1HA GLY 98 -5.345 -19.834 -4.584 737 HA3 GLY 98 2HA GLY 98 -5.962 -18.295 -4.003 738 HA PRO 99 HA PRO 99 -4.932 -17.725 -8.708 739 HB2 PRO 99 1HB PRO 99 -4.485 -20.009 -10.106 740 HB3 PRO 99 2HB PRO 99 -3.189 -19.084 -9.336 741 HG2 PRO 99 1HG PRO 99 -4.590 -21.547 -8.371 742 HG3 PRO 99 2HG PRO 99 -2.861 -21.155 -8.332 743 HD2 PRO 99 1HD PRO 99 -4.462 -20.903 -6.163 744 HD3 PRO 99 2HD PRO 99 -3.075 -19.834 -6.455 745 H SER 100 H SER 100 -6.899 -17.210 -9.429 746 HA SER 100 HA SER 100 -9.097 -19.075 -9.280 747 HB2 SER 100 1HB SER 100 -8.824 -16.198 -10.113 748 HB3 SER 100 2HB SER 100 -10.307 -17.093 -10.445 749 HG SER 100 HG SER 100 -9.471 -15.997 -8.136 750 H SER 101 H SER 101 -9.511 -20.526 -10.795 751 HA SER 101 HA SER 101 -8.229 -20.498 -13.339 752 HB2 SER 101 1HB SER 101 -10.458 -22.232 -12.253 753 HB3 SER 101 2HB SER 101 -9.643 -22.508 -13.792 754 HG SER 101 HG SER 101 -7.920 -23.213 -12.768 755 H GLY 102 H GLY 102 -11.668 -20.269 -12.409 756 HA2 GLY 102 1HA GLY 102 -12.094 -18.570 -14.774 757 HA3 GLY 102 2HA GLY 102 -13.133 -19.964 -14.510 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 46.494 22.388 -59.391 2 HA2 GLY 1 1HA GLY 1 45.225 23.643 -61.036 3 HA3 GLY 1 2HA GLY 1 43.781 22.815 -60.471 4 H SER 2 H SER 2 42.886 23.401 -58.430 5 HA SER 2 HA SER 2 43.470 26.188 -57.739 6 HB2 SER 2 1HB SER 2 41.070 24.424 -57.226 7 HB3 SER 2 2HB SER 2 41.252 26.028 -56.517 8 HG SER 2 HG SER 2 41.095 26.936 -58.491 9 H SER 3 H SER 3 42.485 23.246 -55.972 10 HA SER 3 HA SER 3 43.078 22.422 -53.937 11 HB2 SER 3 1HB SER 3 45.570 23.995 -54.594 12 HB3 SER 3 2HB SER 3 45.420 23.034 -53.123 13 HG SER 3 HG SER 3 46.388 21.971 -55.019 14 H GLY 4 H GLY 4 41.382 24.622 -53.937 15 HA2 GLY 4 1HA GLY 4 42.218 25.976 -51.448 16 HA3 GLY 4 2HA GLY 4 41.393 26.839 -52.739 17 H SER 5 H SER 5 40.345 26.920 -50.237 18 HA SER 5 HA SER 5 37.756 25.739 -50.663 19 HB2 SER 5 1HB SER 5 39.521 24.804 -48.401 20 HB3 SER 5 2HB SER 5 37.765 24.652 -48.353 21 HG SER 5 HG SER 5 39.400 22.957 -49.405 22 H SER 6 H SER 6 36.151 26.534 -49.168 23 HA SER 6 HA SER 6 36.992 28.769 -47.475 24 HB2 SER 6 1HB SER 6 36.284 29.521 -49.843 25 HB3 SER 6 2HB SER 6 34.649 29.095 -49.339 26 HG SER 6 HG SER 6 36.028 31.310 -48.796 27 H GLY 7 H GLY 7 35.132 29.584 -46.123 28 HA2 GLY 7 1HA GLY 7 32.717 28.530 -45.653 29 HA3 GLY 7 2HA GLY 7 33.763 27.276 -45.005 30 H GLU 8 H GLU 8 31.936 28.589 -43.403 31 HA GLU 8 HA GLU 8 33.734 30.076 -41.615 32 HB2 GLU 8 1HB GLU 8 31.022 30.850 -42.598 33 HB3 GLU 8 2HB GLU 8 31.478 31.286 -40.957 34 HG2 GLU 8 1HG GLU 8 33.196 31.959 -43.320 35 HG3 GLU 8 2HG GLU 8 31.884 33.004 -42.779 36 HA PRO 9 HA PRO 9 32.426 27.162 -38.585 37 HB2 PRO 9 1HB PRO 9 33.061 28.565 -36.349 38 HB3 PRO 9 2HB PRO 9 34.277 27.810 -37.386 39 HG2 PRO 9 1HG PRO 9 33.377 30.664 -37.290 40 HG3 PRO 9 2HG PRO 9 35.021 30.013 -37.426 41 HD2 PRO 9 1HD PRO 9 33.645 30.953 -39.560 42 HD3 PRO 9 2HD PRO 9 34.814 29.624 -39.688 43 H GLU 10 H GLU 10 31.332 27.510 -36.187 44 HA GLU 10 HA GLU 10 29.101 29.368 -36.356 45 HB2 GLU 10 1HB GLU 10 28.599 27.036 -37.481 46 HB3 GLU 10 2HB GLU 10 28.404 26.512 -35.814 47 HG2 GLU 10 1HG GLU 10 26.641 28.077 -35.452 48 HG3 GLU 10 2HG GLU 10 26.926 28.837 -37.017 49 H LYS 11 H LYS 11 28.604 30.154 -34.410 50 HA LYS 11 HA LYS 11 29.578 28.695 -32.041 51 HB2 LYS 11 1HB LYS 11 29.572 31.617 -32.709 52 HB3 LYS 11 2HB LYS 11 29.532 31.104 -31.028 53 HG2 LYS 11 1HG LYS 11 31.646 30.166 -31.126 54 HG3 LYS 11 2HG LYS 11 31.611 30.027 -32.886 55 HD2 LYS 11 1HD LYS 11 31.587 32.562 -32.945 56 HD3 LYS 11 2HD LYS 11 31.969 32.510 -31.223 57 HE2 LYS 11 1HE LYS 11 34.015 31.326 -31.659 58 HE3 LYS 11 2HE LYS 11 33.607 31.164 -33.366 59 HZ1 LYS 11 1HZ LYS 11 34.863 32.991 -33.570 60 HZ2 LYS 11 2HZ LYS 11 34.718 33.422 -31.941 61 HZ3 LYS 11 3HZ LYS 11 33.488 33.818 -33.033 62 H LEU 12 H LEU 12 28.120 28.149 -30.549 63 HA LEU 12 HA LEU 12 25.671 29.677 -30.236 64 HB2 LEU 12 1HB LEU 12 25.630 26.739 -30.913 65 HB3 LEU 12 2HB LEU 12 24.232 27.705 -30.447 66 HG LEU 12 HG LEU 12 25.861 28.288 -32.910 67 HD11 LEU 12 1HD1 LEU 12 23.253 26.831 -32.980 68 HD12 LEU 12 2HD1 LEU 12 24.760 25.943 -32.758 69 HD13 LEU 12 3HD1 LEU 12 24.520 26.925 -34.203 70 HD21 LEU 12 1HD2 LEU 12 23.317 29.274 -31.720 71 HD22 LEU 12 2HD2 LEU 12 23.457 29.202 -33.477 72 HD23 LEU 12 3HD2 LEU 12 24.603 30.162 -32.538 73 H GLY 13 H GLY 13 24.388 28.912 -28.349 74 HA2 GLY 13 1HA GLY 13 24.952 27.060 -26.485 75 HA3 GLY 13 2HA GLY 13 26.201 28.258 -26.182 76 H GLN 14 H GLN 14 22.717 27.729 -26.292 77 HA GLN 14 HA GLN 14 22.405 29.993 -24.433 78 HB2 GLN 14 1HB GLN 14 20.803 29.201 -26.819 79 HB3 GLN 14 2HB GLN 14 19.953 29.896 -25.446 80 HG2 GLN 14 1HG GLN 14 21.052 31.936 -25.638 81 HG3 GLN 14 2HG GLN 14 22.347 31.251 -26.618 82 HE21 GLN 14 1HE2 GLN 14 19.819 33.245 -26.757 83 HE22 GLN 14 2HE2 GLN 14 19.345 33.048 -28.406 84 H ALA 15 H ALA 15 21.316 29.627 -22.579 85 HA ALA 15 HA ALA 15 19.506 27.431 -22.246 86 HB1 ALA 15 1HB ALA 15 21.920 26.484 -22.095 87 HB2 ALA 15 2HB ALA 15 21.922 27.232 -20.497 88 HB3 ALA 15 3HB ALA 15 20.720 26.004 -20.894 89 H LEU 16 H LEU 16 18.342 27.535 -20.302 90 HA LEU 16 HA LEU 16 19.007 29.659 -18.416 91 HB2 LEU 16 1HB LEU 16 16.749 30.596 -18.515 92 HB3 LEU 16 2HB LEU 16 17.612 30.773 -20.042 93 HG LEU 16 HG LEU 16 15.723 28.487 -19.666 94 HD11 LEU 16 1HD1 LEU 16 14.135 30.013 -19.145 95 HD12 LEU 16 2HD1 LEU 16 14.129 30.242 -20.893 96 HD13 LEU 16 3HD1 LEU 16 15.028 31.354 -19.861 97 HD21 LEU 16 1HD2 LEU 16 15.961 28.228 -21.873 98 HD22 LEU 16 2HD2 LEU 16 17.375 29.268 -21.704 99 HD23 LEU 16 3HD2 LEU 16 15.824 29.959 -22.185 100 H THR 17 H THR 17 18.124 29.385 -16.367 101 HA THR 17 HA THR 17 16.709 26.835 -15.934 102 HB THR 17 HB THR 17 17.825 26.859 -13.642 103 HG1 THR 17 1HG THR 17 19.474 28.754 -14.993 104 HG21 THR 17 1HG2 THR 17 20.163 26.323 -14.950 105 HG22 THR 17 2HG2 THR 17 18.978 26.168 -16.247 106 HG23 THR 17 3HG2 THR 17 18.818 25.196 -14.785 107 H GLU 18 H GLU 18 15.588 26.798 -13.736 108 HA GLU 18 HA GLU 18 14.805 29.201 -12.481 109 HB2 GLU 18 1HB GLU 18 12.361 29.064 -13.258 110 HB3 GLU 18 2HB GLU 18 13.527 29.798 -14.350 111 HG2 GLU 18 1HG GLU 18 12.452 28.460 -15.824 112 HG3 GLU 18 2HG GLU 18 13.678 27.323 -15.268 113 H VAL 19 H VAL 19 14.519 28.500 -10.480 114 HA VAL 19 HA VAL 19 13.393 25.827 -10.041 115 HB VAL 19 HB VAL 19 14.254 26.025 -7.747 116 HG11 VAL 19 1HG1 VAL 19 15.848 24.943 -8.945 117 HG12 VAL 19 2HG1 VAL 19 15.996 26.241 -10.132 118 HG13 VAL 19 3HG1 VAL 19 16.771 26.393 -8.553 119 HG21 VAL 19 1HG2 VAL 19 16.027 28.207 -7.984 120 HG22 VAL 19 2HG2 VAL 19 14.427 28.791 -8.443 121 HG23 VAL 19 3HG2 VAL 19 14.670 28.025 -6.872 122 H TYR 20 H TYR 20 12.023 25.616 -8.022 123 HA TYR 20 HA TYR 20 10.434 27.964 -7.376 124 HB2 TYR 20 1HB TYR 20 8.307 26.624 -7.833 125 HB3 TYR 20 2HB TYR 20 9.166 27.250 -9.237 126 HD1 TYR 20 2HD TYR 20 10.552 25.698 -10.619 127 HD2 TYR 20 1HD TYR 20 8.008 24.289 -7.512 128 HE1 TYR 20 2HE TYR 20 10.654 23.433 -11.570 129 HE2 TYR 20 1HE TYR 20 8.104 22.020 -8.455 130 HH TYR 20 HH TYR 20 9.690 20.698 -9.914 131 H ALA 21 H ALA 21 8.690 27.342 -5.728 132 HA ALA 21 HA ALA 21 9.098 24.973 -4.179 133 HB1 ALA 21 1HB ALA 21 9.964 25.992 -2.164 134 HB2 ALA 21 2HB ALA 21 11.077 26.279 -3.503 135 HB3 ALA 21 3HB ALA 21 10.011 27.571 -2.950 136 H LYS 22 H LYS 22 7.392 24.571 -2.848 137 HA LYS 22 HA LYS 22 5.479 26.740 -2.348 138 HB2 LYS 22 1HB LYS 22 4.961 24.132 -3.728 139 HB3 LYS 22 2HB LYS 22 3.687 24.876 -2.769 140 HG2 LYS 22 1HG LYS 22 3.204 25.755 -4.809 141 HG3 LYS 22 2HG LYS 22 4.308 26.993 -4.208 142 HD2 LYS 22 1HD LYS 22 6.158 25.899 -5.402 143 HD3 LYS 22 2HD LYS 22 5.030 24.692 -6.025 144 HE2 LYS 22 1HE LYS 22 3.732 26.814 -6.868 145 HE3 LYS 22 2HE LYS 22 5.315 27.578 -6.725 146 HZ1 LYS 22 1HZ LYS 22 5.844 25.253 -8.022 147 HZ2 LYS 22 2HZ LYS 22 5.681 26.769 -8.752 148 HZ3 LYS 22 3HZ LYS 22 4.358 25.716 -8.685 149 H ALA 23 H ALA 23 4.805 26.804 -0.302 150 HA ALA 23 HA ALA 23 5.828 25.454 1.790 151 HB1 ALA 23 1HB ALA 23 3.080 25.813 2.420 152 HB2 ALA 23 2HB ALA 23 4.458 26.808 2.889 153 HB3 ALA 23 3HB ALA 23 3.596 27.148 1.389 154 H ASN 24 H ASN 24 5.647 23.515 2.768 155 HA ASN 24 HA ASN 24 3.830 21.561 1.529 156 HB2 ASN 24 1HB ASN 24 6.557 21.347 2.734 157 HB3 ASN 24 2HB ASN 24 5.489 19.949 2.812 158 HD21 ASN 24 1HD2 ASN 24 4.243 19.806 0.522 159 HD22 ASN 24 2HD2 ASN 24 5.333 19.706 -0.814 160 H SER 25 H SER 25 2.934 19.890 2.955 161 HA SER 25 HA SER 25 2.627 20.743 5.746 162 HB2 SER 25 1HB SER 25 0.651 21.619 4.762 163 HB3 SER 25 2HB SER 25 0.408 20.174 3.781 164 HG SER 25 HG SER 25 -0.970 19.958 5.466 165 H PHE 26 H PHE 26 1.912 19.059 7.184 166 HA PHE 26 HA PHE 26 3.046 16.508 6.494 167 HB2 PHE 26 1HB PHE 26 3.023 17.780 8.800 168 HB3 PHE 26 2HB PHE 26 1.482 16.953 9.007 169 HD1 PHE 26 1HD PHE 26 1.980 14.357 7.785 170 HD2 PHE 26 2HD PHE 26 4.504 16.749 10.239 171 HE1 PHE 26 1HE PHE 26 3.166 12.334 8.531 172 HE2 PHE 26 2HE PHE 26 5.695 14.730 10.989 173 HZ PHE 26 HZ PHE 26 5.027 12.519 10.134 174 H THR 27 H THR 27 1.995 14.908 5.543 175 HA THR 27 HA THR 27 -0.931 14.749 5.868 176 HB THR 27 HB THR 27 0.730 14.003 3.454 177 HG1 THR 27 1HG THR 27 -1.433 15.826 3.533 178 HG21 THR 27 1HG2 THR 27 -0.969 12.364 3.574 179 HG22 THR 27 2HG2 THR 27 -1.563 13.575 2.438 180 HG23 THR 27 3HG2 THR 27 -2.175 13.541 4.092 181 H VAL 28 H VAL 28 -1.624 12.996 6.888 182 HA VAL 28 HA VAL 28 0.088 10.595 6.883 183 HB VAL 28 HB VAL 28 -1.851 11.429 9.043 184 HG11 VAL 28 1HG1 VAL 28 -1.633 9.051 8.982 185 HG12 VAL 28 2HG1 VAL 28 0.122 9.161 8.838 186 HG13 VAL 28 3HG1 VAL 28 -0.673 9.644 10.336 187 HG21 VAL 28 1HG2 VAL 28 0.054 12.028 10.377 188 HG22 VAL 28 2HG2 VAL 28 1.163 11.505 9.109 189 HG23 VAL 28 3HG2 VAL 28 0.134 12.915 8.855 190 H SER 29 H SER 29 -0.748 9.117 5.566 191 HA SER 29 HA SER 29 -3.662 8.677 5.638 192 HB2 SER 29 1HB SER 29 -1.840 8.321 3.246 193 HB3 SER 29 2HB SER 29 -3.581 8.046 3.277 194 HG SER 29 HG SER 29 -3.737 10.324 3.899 195 H SER 30 H SER 30 -4.374 6.502 5.314 196 HA SER 30 HA SER 30 -2.331 4.511 6.053 197 HB2 SER 30 1HB SER 30 -4.324 3.223 6.989 198 HB3 SER 30 2HB SER 30 -3.869 4.689 7.858 199 HG SER 30 HG SER 30 -6.048 4.797 7.591 200 H VAL 31 H VAL 31 -2.527 2.387 5.179 201 HA VAL 31 HA VAL 31 -4.110 2.251 2.695 202 HB VAL 31 HB VAL 31 -1.286 1.293 3.156 203 HG11 VAL 31 1HG1 VAL 31 -3.259 0.594 1.010 204 HG12 VAL 31 2HG1 VAL 31 -1.522 0.563 0.702 205 HG13 VAL 31 3HG1 VAL 31 -2.215 -0.472 1.950 206 HG21 VAL 31 1HG2 VAL 31 -0.604 2.918 1.698 207 HG22 VAL 31 2HG2 VAL 31 -2.147 2.959 0.846 208 HG23 VAL 31 3HG2 VAL 31 -1.992 3.729 2.425 209 H ALA 32 H ALA 32 -5.538 0.656 2.712 210 HA ALA 32 HA ALA 32 -5.777 -1.233 4.760 211 HB1 ALA 32 1HB ALA 32 -6.923 -1.411 1.976 212 HB2 ALA 32 2HB ALA 32 -7.500 -2.261 3.410 213 HB3 ALA 32 3HB ALA 32 -7.634 -0.505 3.312 214 H ALA 33 H ALA 33 -4.210 -2.672 5.177 215 HA ALA 33 HA ALA 33 -3.496 -4.556 3.054 216 HB1 ALA 33 1HB ALA 33 -1.344 -4.010 2.954 217 HB2 ALA 33 2HB ALA 33 -1.750 -2.554 3.863 218 HB3 ALA 33 3HB ALA 33 -1.194 -3.997 4.711 219 HA PRO 34 HA PRO 34 -4.227 -7.514 6.235 220 HB2 PRO 34 1HB PRO 34 -2.898 -9.625 5.162 221 HB3 PRO 34 2HB PRO 34 -4.451 -9.052 4.542 222 HG2 PRO 34 1HG PRO 34 -1.689 -8.521 3.516 223 HG3 PRO 34 2HG PRO 34 -3.164 -8.905 2.610 224 HD2 PRO 34 1HD PRO 34 -2.217 -6.380 2.847 225 HD3 PRO 34 2HD PRO 34 -3.951 -6.742 2.727 226 H SER 35 H SER 35 -2.948 -9.188 7.542 227 HA SER 35 HA SER 35 -0.269 -8.118 8.151 228 HB2 SER 35 1HB SER 35 -0.657 -8.516 10.498 229 HB3 SER 35 2HB SER 35 -2.009 -7.571 9.875 230 HG SER 35 HG SER 35 -3.314 -9.268 10.077 231 H TRP 36 H TRP 36 -2.107 -10.807 7.261 232 HA TRP 36 HA TRP 36 -0.535 -12.867 8.446 233 HB2 TRP 36 1HB TRP 36 -1.674 -14.339 6.771 234 HB3 TRP 36 2HB TRP 36 -2.781 -13.375 7.745 235 HD1 TRP 36 HD TRP 36 -4.089 -11.378 6.502 236 HE1 TRP 36 1HE TRP 36 -4.628 -10.984 4.016 237 HE3 TRP 36 3HE TRP 36 -0.769 -14.663 4.423 238 HZ2 TRP 36 2HZ TRP 36 -3.760 -11.939 1.506 239 HZ3 TRP 36 3HZ TRP 36 -0.686 -14.862 1.971 240 HH2 TRP 36 HH TRP 36 -2.153 -13.530 0.545 241 H LEU 37 H LEU 37 0.011 -10.737 5.870 242 HA LEU 37 HA LEU 37 2.134 -12.481 4.805 243 HB2 LEU 37 1HB LEU 37 1.970 -11.005 2.759 244 HB3 LEU 37 2HB LEU 37 0.627 -12.109 3.048 245 HG LEU 37 HG LEU 37 -0.457 -10.007 4.182 246 HD11 LEU 37 1HD1 LEU 37 1.692 -8.840 2.439 247 HD12 LEU 37 2HD1 LEU 37 1.311 -8.463 4.118 248 HD13 LEU 37 3HD1 LEU 37 0.214 -7.962 2.832 249 HD21 LEU 37 1HD2 LEU 37 -0.415 -11.059 1.484 250 HD22 LEU 37 2HD2 LEU 37 -0.827 -9.345 1.516 251 HD23 LEU 37 3HD2 LEU 37 -1.774 -10.498 2.456 252 H HIS 38 H HIS 38 2.296 -10.715 7.124 253 HA HIS 38 HA HIS 38 3.660 -8.323 6.445 254 HB2 HIS 38 1HB HIS 38 3.235 -9.905 8.936 255 HB3 HIS 38 2HB HIS 38 4.535 -8.718 8.928 256 HD2 HIS 38 2HD HIS 38 2.012 -7.056 6.849 257 HE1 HIS 38 1HE HIS 38 0.836 -6.126 10.818 258 HE2 HIS 38 2HE HIS 38 0.489 -5.626 8.374 259 H ARG 39 H ARG 39 4.709 -11.615 7.096 260 HA ARG 39 HA ARG 39 7.481 -11.061 7.267 261 HB2 ARG 39 1HB ARG 39 6.331 -13.672 6.310 262 HB3 ARG 39 2HB ARG 39 7.809 -13.395 7.221 263 HG2 ARG 39 1HG ARG 39 6.116 -12.464 9.016 264 HG3 ARG 39 2HG ARG 39 4.996 -13.521 8.156 265 HD2 ARG 39 1HD ARG 39 7.667 -14.571 8.966 266 HD3 ARG 39 2HD ARG 39 6.400 -14.415 10.182 267 HE ARG 39 HE ARG 39 6.561 -16.372 8.107 268 HH11 ARG 39 1HH1 ARG 39 4.357 -14.537 10.081 269 HH12 ARG 39 2HH1 ARG 39 3.080 -15.702 9.968 270 HH21 ARG 39 1HH2 ARG 39 4.886 -17.915 7.951 271 HH22 ARG 39 2HH2 ARG 39 3.383 -17.623 8.757 272 H PHE 40 H PHE 40 5.292 -11.343 4.623 273 HA PHE 40 HA PHE 40 7.442 -11.716 2.685 274 HB2 PHE 40 1HB PHE 40 4.449 -11.799 2.548 275 HB3 PHE 40 2HB PHE 40 5.381 -11.552 1.075 276 HD1 PHE 40 2HD PHE 40 7.108 -13.283 0.442 277 HD2 PHE 40 1HD PHE 40 4.179 -13.931 3.461 278 HE1 PHE 40 2HE PHE 40 7.461 -15.711 0.259 279 HE2 PHE 40 1HE PHE 40 4.527 -16.360 3.283 280 HZ PHE 40 HZ PHE 40 6.169 -17.253 1.679 281 H ILE 41 H ILE 41 4.896 -9.369 3.472 282 HA ILE 41 HA ILE 41 5.452 -7.479 1.507 283 HB ILE 41 HB ILE 41 3.523 -7.548 3.229 284 HG12 ILE 41 1HG1 ILE 41 4.694 -4.817 2.740 285 HG13 ILE 41 2HG1 ILE 41 4.056 -5.793 1.422 286 HG21 ILE 41 1HG2 ILE 41 5.119 -7.417 5.173 287 HG22 ILE 41 2HG2 ILE 41 5.380 -5.728 4.742 288 HG23 ILE 41 3HG2 ILE 41 3.773 -6.277 5.217 289 HD11 ILE 41 1HD1 ILE 41 2.046 -5.858 3.305 290 HD12 ILE 41 2HD1 ILE 41 2.665 -4.209 3.403 291 HD13 ILE 41 3HD1 ILE 41 2.099 -4.849 1.860 292 H ILE 42 H ILE 42 6.986 -8.044 4.617 293 HA ILE 42 HA ILE 42 8.604 -5.663 4.468 294 HB ILE 42 HB ILE 42 8.796 -8.038 6.325 295 HG12 ILE 42 1HG1 ILE 42 7.655 -5.277 6.798 296 HG13 ILE 42 2HG1 ILE 42 6.693 -6.719 6.494 297 HG21 ILE 42 1HG2 ILE 42 10.632 -5.928 5.835 298 HG22 ILE 42 2HG2 ILE 42 9.923 -5.684 7.431 299 HG23 ILE 42 3HG2 ILE 42 10.723 -7.207 7.045 300 HD11 ILE 42 1HD1 ILE 42 7.280 -5.795 8.941 301 HD12 ILE 42 2HD1 ILE 42 6.964 -7.493 8.585 302 HD13 ILE 42 3HD1 ILE 42 8.625 -6.911 8.703 303 H GLY 43 H GLY 43 9.155 -9.161 4.133 304 HA2 GLY 43 1HA GLY 43 10.638 -10.132 2.577 305 HA3 GLY 43 2HA GLY 43 11.436 -8.577 2.401 306 H LYS 44 H LYS 44 13.110 -10.573 2.592 307 HA LYS 44 HA LYS 44 13.786 -11.254 5.301 308 HB2 LYS 44 1HB LYS 44 15.065 -11.745 2.626 309 HB3 LYS 44 2HB LYS 44 15.916 -12.129 4.117 310 HG2 LYS 44 1HG LYS 44 14.122 -13.639 4.769 311 HG3 LYS 44 2HG LYS 44 13.237 -13.236 3.296 312 HD2 LYS 44 1HD LYS 44 16.035 -14.293 3.145 313 HD3 LYS 44 2HD LYS 44 14.673 -15.395 3.363 314 HE2 LYS 44 1HE LYS 44 14.713 -13.341 1.172 315 HE3 LYS 44 2HE LYS 44 15.467 -14.922 0.972 316 HZ1 LYS 44 1HZ LYS 44 13.399 -15.384 0.203 317 HZ2 LYS 44 2HZ LYS 44 12.637 -14.223 1.169 318 HZ3 LYS 44 3HZ LYS 44 13.120 -15.698 1.843 319 H LYS 45 H LYS 45 15.335 -10.388 6.592 320 HA LYS 45 HA LYS 45 16.585 -8.685 7.469 321 HB2 LYS 45 1HB LYS 45 17.909 -9.292 4.838 322 HB3 LYS 45 2HB LYS 45 18.578 -8.096 5.939 323 HG2 LYS 45 1HG LYS 45 17.941 -10.787 7.020 324 HG3 LYS 45 2HG LYS 45 19.357 -10.613 5.980 325 HD2 LYS 45 1HD LYS 45 20.315 -8.979 7.439 326 HD3 LYS 45 2HD LYS 45 18.832 -8.883 8.393 327 HE2 LYS 45 1HE LYS 45 20.322 -11.469 8.105 328 HE3 LYS 45 2HE LYS 45 20.814 -10.269 9.300 329 HZ1 LYS 45 1HZ LYS 45 18.002 -11.120 9.179 330 HZ2 LYS 45 2HZ LYS 45 18.889 -10.538 10.496 331 HZ3 LYS 45 3HZ LYS 45 19.137 -12.117 9.942 332 H GLY 46 H GLY 46 14.229 -7.706 6.377 333 HA2 GLY 46 1HA GLY 46 13.235 -5.806 5.534 334 HA3 GLY 46 2HA GLY 46 14.591 -4.996 6.305 335 H GLN 47 H GLN 47 13.309 -6.240 3.309 336 HA GLN 47 HA GLN 47 15.457 -4.834 1.862 337 HB2 GLN 47 1HB GLN 47 13.987 -7.373 1.249 338 HB3 GLN 47 2HB GLN 47 14.667 -6.414 -0.060 339 HG2 GLN 47 1HG GLN 47 16.870 -6.673 0.780 340 HG3 GLN 47 2HG GLN 47 16.279 -7.372 2.287 341 HE21 GLN 47 1HE2 GLN 47 17.808 -9.082 1.732 342 HE22 GLN 47 2HE2 GLN 47 17.293 -10.350 0.680 343 H ASN 48 H ASN 48 12.075 -5.894 1.436 344 HA ASN 48 HA ASN 48 11.425 -4.095 -0.597 345 HB2 ASN 48 1HB ASN 48 9.453 -5.035 1.481 346 HB3 ASN 48 2HB ASN 48 9.161 -4.679 -0.220 347 HD21 ASN 48 1HD2 ASN 48 8.259 -7.005 0.746 348 HD22 ASN 48 2HD2 ASN 48 9.206 -8.326 0.160 349 H LEU 49 H LEU 49 11.140 -3.779 2.920 350 HA LEU 49 HA LEU 49 9.923 -1.209 2.847 351 HB2 LEU 49 1HB LEU 49 11.222 -2.878 4.957 352 HB3 LEU 49 2HB LEU 49 10.838 -1.190 5.289 353 HG LEU 49 HG LEU 49 8.824 -3.275 4.454 354 HD11 LEU 49 1HD1 LEU 49 9.278 -4.000 6.562 355 HD12 LEU 49 2HD1 LEU 49 8.119 -2.727 6.944 356 HD13 LEU 49 3HD1 LEU 49 9.849 -2.423 7.106 357 HD21 LEU 49 1HD2 LEU 49 7.653 -1.097 5.793 358 HD22 LEU 49 2HD2 LEU 49 7.481 -1.545 4.096 359 HD23 LEU 49 3HD2 LEU 49 8.745 -0.417 4.587 360 H ALA 50 H ALA 50 13.230 -2.253 3.681 361 HA ALA 50 HA ALA 50 14.408 0.192 4.090 362 HB1 ALA 50 1HB ALA 50 16.486 -0.992 3.024 363 HB2 ALA 50 2HB ALA 50 15.811 -1.566 4.549 364 HB3 ALA 50 3HB ALA 50 15.430 -2.405 3.045 365 H LYS 51 H LYS 51 13.982 -1.485 0.986 366 HA LYS 51 HA LYS 51 15.291 0.338 -0.655 367 HB2 LYS 51 1HB LYS 51 14.117 -1.995 -1.127 368 HB3 LYS 51 2HB LYS 51 12.793 -0.959 -1.645 369 HG2 LYS 51 1HG LYS 51 13.984 -0.095 -3.420 370 HG3 LYS 51 2HG LYS 51 15.546 -0.479 -2.693 371 HD2 LYS 51 1HD LYS 51 14.898 -2.925 -2.980 372 HD3 LYS 51 2HD LYS 51 13.588 -2.346 -4.010 373 HE2 LYS 51 1HE LYS 51 16.430 -1.517 -4.488 374 HE3 LYS 51 2HE LYS 51 15.807 -3.041 -5.116 375 HZ1 LYS 51 1HZ LYS 51 14.055 -0.860 -5.679 376 HZ2 LYS 51 2HZ LYS 51 14.745 -1.986 -6.738 377 HZ3 LYS 51 3HZ LYS 51 15.602 -0.590 -6.311 378 H ILE 52 H ILE 52 11.756 0.123 -0.197 379 HA ILE 52 HA ILE 52 11.033 2.443 -1.483 380 HB ILE 52 HB ILE 52 9.781 1.222 0.977 381 HG12 ILE 52 1HG1 ILE 52 9.001 1.025 -1.939 382 HG13 ILE 52 2HG1 ILE 52 9.897 -0.209 -1.060 383 HG21 ILE 52 1HG2 ILE 52 8.950 3.409 0.946 384 HG22 ILE 52 2HG2 ILE 52 8.866 3.446 -0.815 385 HG23 ILE 52 3HG2 ILE 52 7.723 2.465 0.102 386 HD11 ILE 52 1HD1 ILE 52 7.715 0.149 0.534 387 HD12 ILE 52 2HD1 ILE 52 7.044 0.384 -1.082 388 HD13 ILE 52 3HD1 ILE 52 7.896 -1.110 -0.688 389 H THR 53 H THR 53 11.573 2.124 2.031 390 HA THR 53 HA THR 53 11.308 4.782 2.731 391 HB THR 53 HB THR 53 12.809 4.280 4.660 392 HG1 THR 53 1HG THR 53 13.331 1.880 4.704 393 HG21 THR 53 1HG2 THR 53 10.496 3.772 4.934 394 HG22 THR 53 2HG2 THR 53 11.400 2.395 5.562 395 HG23 THR 53 3HG2 THR 53 10.641 2.301 3.973 396 H GLN 54 H GLN 54 14.098 3.116 1.378 397 HA GLN 54 HA GLN 54 16.026 5.101 1.792 398 HB2 GLN 54 1HB GLN 54 16.492 2.773 1.039 399 HB3 GLN 54 2HB GLN 54 15.854 3.192 -0.545 400 HG2 GLN 54 1HG GLN 54 18.367 3.216 -0.279 401 HG3 GLN 54 2HG GLN 54 17.629 4.645 -1.002 402 HE21 GLN 54 1HE2 GLN 54 19.508 3.411 1.561 403 HE22 GLN 54 2HE2 GLN 54 19.749 4.896 2.410 404 H GLN 55 H GLN 55 13.877 4.542 -0.984 405 HA GLN 55 HA GLN 55 14.801 6.843 -2.407 406 HB2 GLN 55 1HB GLN 55 13.910 5.032 -3.686 407 HB3 GLN 55 2HB GLN 55 12.411 5.039 -2.766 408 HG2 GLN 55 1HG GLN 55 12.083 6.012 -4.958 409 HG3 GLN 55 2HG GLN 55 11.838 7.218 -3.696 410 HE21 GLN 55 1HE2 GLN 55 12.313 9.022 -4.820 411 HE22 GLN 55 2HE2 GLN 55 13.857 9.358 -5.517 412 H MET 56 H MET 56 12.323 6.221 -0.052 413 HA MET 56 HA MET 56 11.571 9.061 -0.164 414 HB2 MET 56 1HB MET 56 9.770 6.660 -0.023 415 HB3 MET 56 2HB MET 56 9.251 8.216 0.610 416 HG2 MET 56 1HG MET 56 9.233 9.207 -1.484 417 HG3 MET 56 2HG MET 56 10.294 7.985 -2.178 418 HE1 MET 56 1HE MET 56 9.505 6.276 -3.693 419 HE2 MET 56 2HE MET 56 9.366 5.279 -2.245 420 HE3 MET 56 3HE MET 56 8.069 5.284 -3.441 421 HA PRO 57 HA PRO 57 13.011 7.963 4.078 422 HB2 PRO 57 1HB PRO 57 14.314 10.311 4.476 423 HB3 PRO 57 2HB PRO 57 15.054 8.928 3.661 424 HG2 PRO 57 1HG PRO 57 13.801 11.377 2.479 425 HG3 PRO 57 2HG PRO 57 15.299 10.550 2.012 426 HD2 PRO 57 1HD PRO 57 12.974 10.227 0.662 427 HD3 PRO 57 2HD PRO 57 14.179 8.932 0.812 428 H LYS 58 H LYS 58 11.585 10.935 2.802 429 HA LYS 58 HA LYS 58 10.733 12.037 5.240 430 HB2 LYS 58 1HB LYS 58 9.754 12.331 2.408 431 HB3 LYS 58 2HB LYS 58 8.988 13.186 3.741 432 HG2 LYS 58 1HG LYS 58 11.314 14.079 4.281 433 HG3 LYS 58 2HG LYS 58 11.778 13.488 2.683 434 HD2 LYS 58 1HD LYS 58 9.377 15.248 3.024 435 HD3 LYS 58 2HD LYS 58 10.997 15.944 2.940 436 HE2 LYS 58 1HE LYS 58 11.266 14.546 0.804 437 HE3 LYS 58 2HE LYS 58 9.513 14.371 0.858 438 HZ1 LYS 58 1HZ LYS 58 10.852 17.012 0.930 439 HZ2 LYS 58 2HZ LYS 58 9.222 16.680 0.626 440 HZ3 LYS 58 3HZ LYS 58 10.396 16.263 -0.517 441 H VAL 59 H VAL 59 9.363 9.562 3.191 442 HA VAL 59 HA VAL 59 6.823 9.535 4.565 443 HB VAL 59 HB VAL 59 7.969 7.558 2.588 444 HG11 VAL 59 1HG1 VAL 59 5.768 6.668 2.377 445 HG12 VAL 59 2HG1 VAL 59 6.161 6.699 4.097 446 HG13 VAL 59 3HG1 VAL 59 5.096 7.927 3.412 447 HG21 VAL 59 1HG2 VAL 59 5.941 9.731 2.101 448 HG22 VAL 59 2HG2 VAL 59 7.661 9.900 1.750 449 HG23 VAL 59 3HG2 VAL 59 6.704 8.683 0.906 450 H HIS 60 H HIS 60 6.294 8.356 6.293 451 HA HIS 60 HA HIS 60 8.279 6.444 7.316 452 HB2 HIS 60 1HB HIS 60 7.383 8.523 8.653 453 HB3 HIS 60 2HB HIS 60 6.004 7.474 8.968 454 HD1 HIS 60 1HD HIS 60 9.791 7.047 9.161 455 HD2 HIS 60 2HD HIS 60 6.339 6.194 11.312 456 HE1 HIS 60 1HE HIS 60 10.570 5.888 11.253 457 H ILE 61 H ILE 61 7.841 4.367 7.056 458 HA ILE 61 HA ILE 61 5.073 3.531 6.592 459 HB ILE 61 HB ILE 61 7.639 1.985 6.204 460 HG12 ILE 61 1HG1 ILE 61 5.791 3.189 4.134 461 HG13 ILE 61 2HG1 ILE 61 7.300 3.927 4.659 462 HG21 ILE 61 1HG2 ILE 61 4.881 1.273 5.234 463 HG22 ILE 61 2HG2 ILE 61 6.340 0.285 5.176 464 HG23 ILE 61 3HG2 ILE 61 5.578 0.644 6.726 465 HD11 ILE 61 1HD1 ILE 61 8.548 2.545 3.419 466 HD12 ILE 61 2HD1 ILE 61 7.530 1.145 3.763 467 HD13 ILE 61 3HD1 ILE 61 7.050 2.302 2.521 468 H GLU 62 H GLU 62 3.946 2.380 8.030 469 HA GLU 62 HA GLU 62 5.386 1.067 10.230 470 HB2 GLU 62 1HB GLU 62 4.457 3.257 10.978 471 HB3 GLU 62 2HB GLU 62 2.850 2.677 10.561 472 HG2 GLU 62 1HG GLU 62 3.380 0.733 12.168 473 HG3 GLU 62 2HG GLU 62 4.659 1.788 12.767 474 H PHE 63 H PHE 63 4.450 -0.806 11.036 475 HA PHE 63 HA PHE 63 2.166 -1.840 9.487 476 HB2 PHE 63 1HB PHE 63 4.758 -3.093 10.250 477 HB3 PHE 63 2HB PHE 63 3.329 -4.121 10.225 478 HD1 PHE 63 2HD PHE 63 1.831 -3.755 8.030 479 HD2 PHE 63 1HD PHE 63 6.010 -3.008 8.340 480 HE1 PHE 63 2HE PHE 63 2.053 -4.004 5.592 481 HE2 PHE 63 1HE PHE 63 6.238 -3.256 5.902 482 HZ PHE 63 HZ PHE 63 4.258 -3.755 4.525 483 H THR 64 H THR 64 0.424 -2.366 10.625 484 HA THR 64 HA THR 64 0.678 -2.590 13.544 485 HB THR 64 HB THR 64 -1.970 -2.283 12.186 486 HG1 THR 64 1HG THR 64 -1.635 -0.195 11.775 487 HG21 THR 64 1HG2 THR 64 -2.071 -2.605 14.539 488 HG22 THR 64 2HG2 THR 64 -2.353 -0.886 14.261 489 HG23 THR 64 3HG2 THR 64 -0.777 -1.442 14.823 490 H GLU 65 H GLU 65 -0.188 -4.315 14.658 491 HA GLU 65 HA GLU 65 -0.587 -6.727 13.093 492 HB2 GLU 65 1HB GLU 65 -0.471 -7.898 15.229 493 HB3 GLU 65 2HB GLU 65 0.880 -6.787 15.061 494 HG2 GLU 65 1HG GLU 65 -0.353 -5.157 16.463 495 HG3 GLU 65 2HG GLU 65 -1.602 -6.377 16.711 496 H GLY 66 H GLY 66 -2.405 -4.636 15.273 497 HA2 GLY 66 1HA GLY 66 -4.755 -6.344 15.119 498 HA3 GLY 66 2HA GLY 66 -4.605 -4.855 16.039 499 H GLU 67 H GLU 67 -4.266 -2.860 14.534 500 HA GLU 67 HA GLU 67 -6.590 -2.341 13.185 501 HB2 GLU 67 1HB GLU 67 -3.837 -1.168 12.838 502 HB3 GLU 67 2HB GLU 67 -5.232 -0.552 11.962 503 HG2 GLU 67 1HG GLU 67 -5.321 -0.798 14.935 504 HG3 GLU 67 2HG GLU 67 -4.504 0.568 14.179 505 H ASP 68 H ASP 68 -3.806 -4.064 12.048 506 HA ASP 68 HA ASP 68 -3.318 -5.125 10.095 507 HB2 ASP 68 1HB ASP 68 -6.293 -5.242 10.271 508 HB3 ASP 68 2HB ASP 68 -5.535 -5.741 8.761 509 H LYS 69 H LYS 69 -2.869 -2.494 9.873 510 HA LYS 69 HA LYS 69 -3.368 -2.024 7.059 511 HB2 LYS 69 1HB LYS 69 -4.438 0.067 7.254 512 HB3 LYS 69 2HB LYS 69 -5.294 -0.984 8.373 513 HG2 LYS 69 1HG LYS 69 -4.217 -0.010 10.248 514 HG3 LYS 69 2HG LYS 69 -3.079 0.864 9.221 515 HD2 LYS 69 1HD LYS 69 -4.566 2.543 9.672 516 HD3 LYS 69 2HD LYS 69 -5.307 1.872 8.217 517 HE2 LYS 69 1HE LYS 69 -6.796 0.514 9.620 518 HE3 LYS 69 2HE LYS 69 -6.067 1.217 11.063 519 HZ1 LYS 69 1HZ LYS 69 -7.110 3.195 10.742 520 HZ2 LYS 69 2HZ LYS 69 -8.260 2.184 10.023 521 HZ3 LYS 69 3HZ LYS 69 -7.166 3.042 9.057 522 H ILE 70 H ILE 70 -2.117 -0.141 6.248 523 HA ILE 70 HA ILE 70 0.384 0.116 7.770 524 HB ILE 70 HB ILE 70 -0.060 0.647 4.831 525 HG12 ILE 70 1HG1 ILE 70 1.280 -1.743 6.108 526 HG13 ILE 70 2HG1 ILE 70 -0.383 -1.750 5.533 527 HG21 ILE 70 1HG2 ILE 70 1.808 1.878 5.848 528 HG22 ILE 70 2HG2 ILE 70 2.490 0.354 6.413 529 HG23 ILE 70 3HG2 ILE 70 2.361 0.674 4.684 530 HD11 ILE 70 1HD1 ILE 70 1.946 -1.084 3.761 531 HD12 ILE 70 2HD1 ILE 70 1.337 -2.725 3.981 532 HD13 ILE 70 3HD1 ILE 70 0.293 -1.482 3.292 533 H THR 71 H THR 71 0.866 2.001 8.668 534 HA THR 71 HA THR 71 -0.711 4.358 7.958 535 HB THR 71 HB THR 71 1.252 4.085 10.237 536 HG1 THR 71 1HG THR 71 -1.414 3.258 9.964 537 HG21 THR 71 1HG2 THR 71 -0.332 5.889 11.166 538 HG22 THR 71 2HG2 THR 71 -0.871 6.075 9.497 539 HG23 THR 71 3HG2 THR 71 0.817 6.362 9.915 540 H LEU 72 H LEU 72 0.081 5.912 6.708 541 HA LEU 72 HA LEU 72 2.994 6.033 6.297 542 HB2 LEU 72 1HB LEU 72 0.675 6.667 4.504 543 HB3 LEU 72 2HB LEU 72 2.284 7.312 4.185 544 HG LEU 72 HG LEU 72 2.147 5.435 2.816 545 HD11 LEU 72 1HD1 LEU 72 4.118 5.535 4.482 546 HD12 LEU 72 2HD1 LEU 72 3.864 4.063 3.546 547 HD13 LEU 72 3HD1 LEU 72 3.346 4.137 5.229 548 HD21 LEU 72 1HD2 LEU 72 0.334 4.484 4.843 549 HD22 LEU 72 2HD2 LEU 72 1.491 3.231 4.396 550 HD23 LEU 72 3HD2 LEU 72 0.493 3.993 3.157 551 H GLU 73 H GLU 73 4.070 7.845 6.796 552 HA GLU 73 HA GLU 73 2.499 10.258 7.420 553 HB2 GLU 73 1HB GLU 73 4.866 9.124 8.914 554 HB3 GLU 73 2HB GLU 73 4.233 10.743 9.176 555 HG2 GLU 73 1HG GLU 73 3.179 9.604 10.844 556 HG3 GLU 73 2HG GLU 73 1.979 9.473 9.560 557 H GLY 74 H GLY 74 3.120 12.064 6.412 558 HA2 GLY 74 1HA GLY 74 5.477 13.189 5.927 559 HA3 GLY 74 2HA GLY 74 5.471 11.939 4.691 560 HA PRO 75 HA PRO 75 3.479 15.809 3.011 561 HB2 PRO 75 1HB PRO 75 5.032 15.955 0.790 562 HB3 PRO 75 2HB PRO 75 5.486 16.695 2.330 563 HG2 PRO 75 1HG PRO 75 6.378 14.096 1.140 564 HG3 PRO 75 2HG PRO 75 7.338 15.335 1.971 565 HD2 PRO 75 1HD PRO 75 6.516 13.064 3.195 566 HD3 PRO 75 2HD PRO 75 6.705 14.601 4.062 567 H THR 76 H THR 76 1.643 15.440 1.956 568 HA THR 76 HA THR 76 0.722 13.156 0.861 569 HB THR 76 HB THR 76 -0.723 15.086 1.114 570 HG1 THR 76 1HG THR 76 -1.724 13.852 -0.326 571 HG21 THR 76 1HG2 THR 76 -0.600 16.805 -0.841 572 HG22 THR 76 2HG2 THR 76 1.072 16.261 -0.973 573 HG23 THR 76 3HG2 THR 76 0.491 16.972 0.532 574 H GLU 77 H GLU 77 2.895 15.431 -0.676 575 HA GLU 77 HA GLU 77 2.710 14.582 -3.324 576 HB2 GLU 77 1HB GLU 77 3.936 16.583 -2.713 577 HB3 GLU 77 2HB GLU 77 5.101 15.630 -1.803 578 HG2 GLU 77 1HG GLU 77 6.212 16.085 -3.776 579 HG3 GLU 77 2HG GLU 77 5.582 14.460 -4.037 580 H ASP 78 H ASP 78 4.998 13.501 -0.814 581 HA ASP 78 HA ASP 78 5.938 11.337 -2.479 582 HB2 ASP 78 1HB ASP 78 6.542 12.109 0.381 583 HB3 ASP 78 2HB ASP 78 7.293 10.748 -0.446 584 H VAL 79 H VAL 79 4.001 11.680 0.470 585 HA VAL 79 HA VAL 79 3.633 9.067 1.195 586 HB VAL 79 HB VAL 79 1.549 11.255 1.194 587 HG11 VAL 79 1HG1 VAL 79 0.334 9.972 2.806 588 HG12 VAL 79 2HG1 VAL 79 0.623 8.944 1.401 589 HG13 VAL 79 3HG1 VAL 79 1.597 8.742 2.858 590 HG21 VAL 79 1HG2 VAL 79 2.220 11.350 3.641 591 HG22 VAL 79 2HG2 VAL 79 3.625 10.383 3.190 592 HG23 VAL 79 3HG2 VAL 79 3.389 11.980 2.481 593 H SER 80 H SER 80 1.889 10.854 -1.320 594 HA SER 80 HA SER 80 0.050 8.840 -1.983 595 HB2 SER 80 1HB SER 80 1.202 11.088 -3.645 596 HB3 SER 80 2HB SER 80 -0.127 10.060 -4.178 597 HG SER 80 HG SER 80 -1.426 11.183 -2.976 598 H VAL 81 H VAL 81 3.390 9.310 -2.830 599 HA VAL 81 HA VAL 81 3.375 7.422 -5.004 600 HB VAL 81 HB VAL 81 5.678 8.678 -3.506 601 HG11 VAL 81 1HG1 VAL 81 7.154 7.783 -5.092 602 HG12 VAL 81 2HG1 VAL 81 6.099 6.437 -4.656 603 HG13 VAL 81 3HG1 VAL 81 5.843 7.306 -6.171 604 HG21 VAL 81 1HG2 VAL 81 5.864 10.188 -5.334 605 HG22 VAL 81 2HG2 VAL 81 4.658 9.305 -6.269 606 HG23 VAL 81 3HG2 VAL 81 4.175 10.197 -4.827 607 H ALA 82 H ALA 82 4.739 7.442 -1.711 608 HA ALA 82 HA ALA 82 5.695 4.809 -1.731 609 HB1 ALA 82 1HB ALA 82 4.697 6.257 0.712 610 HB2 ALA 82 2HB ALA 82 5.949 5.017 0.616 611 HB3 ALA 82 3HB ALA 82 6.241 6.618 -0.063 612 H GLN 83 H GLN 83 2.634 6.103 -0.442 613 HA GLN 83 HA GLN 83 1.546 3.712 0.459 614 HB2 GLN 83 1HB GLN 83 -0.531 4.818 0.550 615 HB3 GLN 83 2HB GLN 83 0.666 6.085 0.785 616 HG2 GLN 83 1HG GLN 83 0.396 6.868 -1.440 617 HG3 GLN 83 2HG GLN 83 -0.583 5.468 -1.878 618 HE21 GLN 83 1HE2 GLN 83 -2.721 5.371 -1.239 619 HE22 GLN 83 2HE2 GLN 83 -3.571 6.745 -0.627 620 H GLU 84 H GLU 84 1.488 5.149 -2.765 621 HA GLU 84 HA GLU 84 -0.272 3.226 -3.900 622 HB2 GLU 84 1HB GLU 84 0.280 5.546 -4.803 623 HB3 GLU 84 2HB GLU 84 1.774 4.845 -5.410 624 HG2 GLU 84 1HG GLU 84 -0.861 3.621 -6.102 625 HG3 GLU 84 2HG GLU 84 -0.267 5.032 -6.975 626 H GLN 85 H GLN 85 3.230 3.487 -3.626 627 HA GLN 85 HA GLN 85 3.909 1.367 -5.346 628 HB2 GLN 85 1HB GLN 85 5.291 2.777 -3.100 629 HB3 GLN 85 2HB GLN 85 5.996 1.302 -3.746 630 HG2 GLN 85 1HG GLN 85 5.668 2.510 -6.042 631 HG3 GLN 85 2HG GLN 85 5.641 3.958 -5.038 632 HE21 GLN 85 1HE2 GLN 85 7.567 4.671 -5.997 633 HE22 GLN 85 2HE2 GLN 85 9.095 3.984 -5.576 634 H ILE 86 H ILE 86 2.995 1.456 -1.958 635 HA ILE 86 HA ILE 86 3.623 -1.318 -1.504 636 HB ILE 86 HB ILE 86 1.942 0.510 0.213 637 HG12 ILE 86 1HG1 ILE 86 4.867 -0.088 0.609 638 HG13 ILE 86 2HG1 ILE 86 4.329 1.285 -0.352 639 HG21 ILE 86 1HG2 ILE 86 1.828 -1.146 1.706 640 HG22 ILE 86 2HG2 ILE 86 2.325 -2.206 0.390 641 HG23 ILE 86 3HG2 ILE 86 3.530 -1.560 1.504 642 HD11 ILE 86 1HD1 ILE 86 3.166 2.194 1.573 643 HD12 ILE 86 2HD1 ILE 86 3.658 0.803 2.540 644 HD13 ILE 86 3HD1 ILE 86 4.871 1.929 1.932 645 H GLU 87 H GLU 87 0.751 0.587 -2.219 646 HA GLU 87 HA GLU 87 -1.170 -1.415 -1.745 647 HB2 GLU 87 1HB GLU 87 -1.108 1.122 -3.319 648 HB3 GLU 87 2HB GLU 87 -2.444 0.008 -3.575 649 HG2 GLU 87 1HG GLU 87 -2.554 0.076 -0.943 650 HG3 GLU 87 2HG GLU 87 -1.750 1.626 -1.185 651 H GLY 88 H GLY 88 1.070 -0.935 -4.322 652 HA2 GLY 88 1HA GLY 88 -0.355 -2.496 -6.272 653 HA3 GLY 88 2HA GLY 88 1.309 -1.944 -6.391 654 H MET 89 H MET 89 2.438 -3.086 -4.154 655 HA MET 89 HA MET 89 2.926 -5.717 -5.044 656 HB2 MET 89 1HB MET 89 4.162 -5.944 -2.858 657 HB3 MET 89 2HB MET 89 4.663 -4.594 -3.867 658 HG2 MET 89 1HG MET 89 3.450 -3.044 -2.500 659 HG3 MET 89 2HG MET 89 2.750 -4.359 -1.560 660 HE1 MET 89 1HE MET 89 5.769 -1.702 -1.023 661 HE2 MET 89 2HE MET 89 6.988 -2.810 -1.652 662 HE3 MET 89 3HE MET 89 5.596 -2.375 -2.645 663 H VAL 90 H VAL 90 0.892 -4.406 -2.480 664 HA VAL 90 HA VAL 90 0.236 -6.788 -1.177 665 HB VAL 90 HB VAL 90 -1.332 -4.237 -1.525 666 HG11 VAL 90 1HG1 VAL 90 -2.374 -5.500 0.687 667 HG12 VAL 90 2HG1 VAL 90 -3.144 -5.382 -0.896 668 HG13 VAL 90 3HG1 VAL 90 -2.199 -6.811 -0.478 669 HG21 VAL 90 1HG2 VAL 90 -0.740 -4.397 1.088 670 HG22 VAL 90 2HG2 VAL 90 0.629 -5.288 0.420 671 HG23 VAL 90 3HG2 VAL 90 0.318 -3.630 -0.098 672 H LYS 91 H LYS 91 -1.784 -5.042 -3.547 673 HA LYS 91 HA LYS 91 -3.721 -6.961 -3.922 674 HB2 LYS 91 1HB LYS 91 -3.447 -4.552 -4.913 675 HB3 LYS 91 2HB LYS 91 -2.714 -5.396 -6.271 676 HG2 LYS 91 1HG LYS 91 -4.820 -6.808 -6.341 677 HG3 LYS 91 2HG LYS 91 -5.522 -5.626 -5.235 678 HD2 LYS 91 1HD LYS 91 -4.847 -3.859 -6.929 679 HD3 LYS 91 2HD LYS 91 -4.531 -5.191 -8.044 680 HE2 LYS 91 1HE LYS 91 -7.165 -4.748 -6.647 681 HE3 LYS 91 2HE LYS 91 -6.797 -4.154 -8.266 682 HZ1 LYS 91 1HZ LYS 91 -7.067 -6.951 -7.353 683 HZ2 LYS 91 2HZ LYS 91 -6.250 -6.571 -8.784 684 HZ3 LYS 91 3HZ LYS 91 -7.883 -6.168 -8.610 685 H ASP 92 H ASP 92 -0.588 -6.673 -5.542 686 HA ASP 92 HA ASP 92 -0.973 -8.827 -7.338 687 HB2 ASP 92 1HB ASP 92 0.812 -6.936 -7.363 688 HB3 ASP 92 2HB ASP 92 1.731 -8.012 -6.315 689 H LEU 93 H LEU 93 0.470 -8.609 -4.116 690 HA LEU 93 HA LEU 93 1.417 -11.259 -3.984 691 HB2 LEU 93 1HB LEU 93 0.695 -9.215 -1.914 692 HB3 LEU 93 2HB LEU 93 1.205 -10.838 -1.455 693 HG LEU 93 HG LEU 93 2.925 -9.146 -3.231 694 HD11 LEU 93 1HD1 LEU 93 3.899 -8.017 -1.473 695 HD12 LEU 93 2HD1 LEU 93 3.282 -9.145 -0.266 696 HD13 LEU 93 3HD1 LEU 93 2.193 -7.984 -1.027 697 HD21 LEU 93 1HD2 LEU 93 4.007 -10.939 -1.155 698 HD22 LEU 93 2HD2 LEU 93 4.527 -10.682 -2.821 699 HD23 LEU 93 3HD2 LEU 93 3.141 -11.720 -2.479 700 H ILE 94 H ILE 94 -1.682 -9.798 -3.166 701 HA ILE 94 HA ILE 94 -2.763 -12.179 -1.997 702 HB ILE 94 HB ILE 94 -4.116 -9.660 -2.967 703 HG12 ILE 94 1HG1 ILE 94 -3.696 -10.588 -0.128 704 HG13 ILE 94 2HG1 ILE 94 -2.515 -9.593 -0.971 705 HG21 ILE 94 1HG2 ILE 94 -5.850 -11.178 -3.054 706 HG22 ILE 94 2HG2 ILE 94 -5.204 -12.153 -1.734 707 HG23 ILE 94 3HG2 ILE 94 -5.966 -10.600 -1.393 708 HD11 ILE 94 1HD1 ILE 94 -4.267 -7.884 -1.310 709 HD12 ILE 94 2HD1 ILE 94 -5.363 -8.868 -0.339 710 HD13 ILE 94 3HD1 ILE 94 -3.903 -8.196 0.387 711 H ASN 95 H ASN 95 -3.150 -10.530 -5.120 712 HA ASN 95 HA ASN 95 -5.063 -12.104 -6.299 713 HB2 ASN 95 1HB ASN 95 -2.597 -10.908 -7.580 714 HB3 ASN 95 2HB ASN 95 -3.981 -11.535 -8.471 715 HD21 ASN 95 1HD2 ASN 95 -3.218 -8.983 -8.875 716 HD22 ASN 95 2HD2 ASN 95 -4.363 -7.892 -8.182 717 H ARG 96 H ARG 96 -1.594 -12.748 -6.034 718 HA ARG 96 HA ARG 96 -1.665 -15.158 -7.551 719 HB2 ARG 96 1HB ARG 96 0.329 -13.791 -5.803 720 HB3 ARG 96 2HB ARG 96 0.578 -15.491 -6.178 721 HG2 ARG 96 1HG ARG 96 0.180 -14.680 -8.641 722 HG3 ARG 96 2HG ARG 96 0.661 -13.120 -7.969 723 HD2 ARG 96 1HD ARG 96 2.274 -15.636 -7.609 724 HD3 ARG 96 2HD ARG 96 2.515 -14.526 -8.956 725 HE ARG 96 HE ARG 96 3.387 -14.169 -6.261 726 HH11 ARG 96 1HH1 ARG 96 2.336 -12.487 -9.122 727 HH12 ARG 96 2HH1 ARG 96 3.178 -11.024 -8.729 728 HH21 ARG 96 1HH2 ARG 96 4.500 -12.249 -5.734 729 HH22 ARG 96 2HH2 ARG 96 4.408 -10.890 -6.802 730 H SER 97 H SER 97 -1.613 -14.456 -4.070 731 HA SER 97 HA SER 97 -2.400 -17.253 -3.579 732 HB2 SER 97 1HB SER 97 -0.293 -16.895 -2.527 733 HB3 SER 97 2HB SER 97 -0.798 -15.333 -1.886 734 HG SER 97 HG SER 97 -0.839 -17.424 -0.524 735 H GLY 98 H GLY 98 -4.504 -17.411 -3.180 736 HA2 GLY 98 1HA GLY 98 -5.986 -16.732 -1.145 737 HA3 GLY 98 2HA GLY 98 -5.893 -15.155 -1.915 738 HA PRO 99 HA PRO 99 -9.493 -16.215 -4.198 739 HB2 PRO 99 1HB PRO 99 -9.241 -14.457 -6.252 740 HB3 PRO 99 2HB PRO 99 -9.708 -13.966 -4.620 741 HG2 PRO 99 1HG PRO 99 -7.028 -13.825 -5.946 742 HG3 PRO 99 2HG PRO 99 -7.838 -12.619 -4.928 743 HD2 PRO 99 1HD PRO 99 -5.898 -14.257 -3.985 744 HD3 PRO 99 2HD PRO 99 -7.241 -13.686 -2.974 745 H SER 100 H SER 100 -6.626 -15.659 -6.254 746 HA SER 100 HA SER 100 -6.022 -16.627 -8.250 747 HB2 SER 100 1HB SER 100 -5.285 -18.197 -6.365 748 HB3 SER 100 2HB SER 100 -6.654 -19.209 -6.824 749 HG SER 100 HG SER 100 -5.716 -19.159 -8.996 750 H SER 101 H SER 101 -8.796 -15.922 -8.177 751 HA SER 101 HA SER 101 -10.469 -17.987 -9.112 752 HB2 SER 101 1HB SER 101 -10.669 -15.014 -9.654 753 HB3 SER 101 2HB SER 101 -11.968 -16.192 -9.846 754 HG SER 101 HG SER 101 -11.991 -16.505 -7.645 755 H GLY 102 H GLY 102 -11.522 -17.847 -11.360 756 HA2 GLY 102 1HA GLY 102 -11.330 -17.681 -13.687 757 HA3 GLY 102 2HA GLY 102 -9.698 -17.062 -13.485 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -22.607 0.804 -0.570 2 HA2 GLY 1 1HA GLY 1 -23.214 -0.495 -3.113 3 HA3 GLY 1 2HA GLY 1 -22.092 0.835 -2.865 4 H SER 2 H SER 2 -21.241 -1.107 -4.468 5 HA SER 2 HA SER 2 -19.361 -2.645 -2.796 6 HB2 SER 2 1HB SER 2 -19.354 -4.157 -4.976 7 HB3 SER 2 2HB SER 2 -20.577 -4.370 -3.724 8 HG SER 2 HG SER 2 -21.883 -2.877 -5.015 9 H SER 3 H SER 3 -19.846 -1.142 -5.978 10 HA SER 3 HA SER 3 -16.937 -0.674 -6.098 11 HB2 SER 3 1HB SER 3 -17.138 -0.736 -8.562 12 HB3 SER 3 2HB SER 3 -17.634 -2.260 -7.827 13 HG SER 3 HG SER 3 -19.180 -1.722 -9.317 14 H GLY 4 H GLY 4 -16.219 1.325 -6.891 15 HA2 GLY 4 1HA GLY 4 -18.180 3.472 -6.560 16 HA3 GLY 4 2HA GLY 4 -16.432 3.653 -6.542 17 H SER 5 H SER 5 -18.395 5.192 -8.033 18 HA SER 5 HA SER 5 -18.303 4.387 -10.773 19 HB2 SER 5 1HB SER 5 -20.073 5.864 -9.754 20 HB3 SER 5 2HB SER 5 -18.874 7.156 -9.698 21 HG SER 5 HG SER 5 -18.684 6.952 -11.979 22 H SER 6 H SER 6 -17.012 5.115 -12.425 23 HA SER 6 HA SER 6 -14.686 6.747 -11.641 24 HB2 SER 6 1HB SER 6 -14.293 4.232 -12.086 25 HB3 SER 6 2HB SER 6 -14.561 4.634 -13.782 26 HG SER 6 HG SER 6 -12.715 6.085 -12.223 27 H GLY 7 H GLY 7 -13.768 8.085 -13.280 28 HA2 GLY 7 1HA GLY 7 -15.250 8.404 -15.766 29 HA3 GLY 7 2HA GLY 7 -15.325 9.759 -14.648 30 H GLU 8 H GLU 8 -14.220 9.754 -17.308 31 HA GLU 8 HA GLU 8 -11.340 9.848 -16.951 32 HB2 GLU 8 1HB GLU 8 -13.038 10.494 -19.369 33 HB3 GLU 8 2HB GLU 8 -11.283 10.396 -19.349 34 HG2 GLU 8 1HG GLU 8 -11.401 8.035 -18.787 35 HG3 GLU 8 2HG GLU 8 -13.160 8.121 -18.754 36 HA PRO 9 HA PRO 9 -11.114 14.140 -16.010 37 HB2 PRO 9 1HB PRO 9 -8.587 14.641 -16.865 38 HB3 PRO 9 2HB PRO 9 -8.939 13.734 -15.389 39 HG2 PRO 9 1HG PRO 9 -8.214 12.716 -18.108 40 HG3 PRO 9 2HG PRO 9 -7.638 12.175 -16.521 41 HD2 PRO 9 1HD PRO 9 -9.557 10.855 -17.903 42 HD3 PRO 9 2HD PRO 9 -9.524 10.909 -16.129 43 H GLU 10 H GLU 10 -10.272 16.239 -17.114 44 HA GLU 10 HA GLU 10 -10.326 16.325 -19.971 45 HB2 GLU 10 1HB GLU 10 -12.784 16.051 -19.165 46 HB3 GLU 10 2HB GLU 10 -12.639 17.734 -18.678 47 HG2 GLU 10 1HG GLU 10 -13.582 17.838 -20.795 48 HG3 GLU 10 2HG GLU 10 -11.874 18.174 -21.074 49 H LYS 11 H LYS 11 -9.716 18.331 -20.794 50 HA LYS 11 HA LYS 11 -8.732 20.217 -18.765 51 HB2 LYS 11 1HB LYS 11 -7.835 19.582 -21.568 52 HB3 LYS 11 2HB LYS 11 -7.331 21.058 -20.756 53 HG2 LYS 11 1HG LYS 11 -6.907 18.331 -19.570 54 HG3 LYS 11 2HG LYS 11 -5.737 19.104 -20.643 55 HD2 LYS 11 1HD LYS 11 -5.554 20.988 -19.107 56 HD3 LYS 11 2HD LYS 11 -6.758 20.253 -18.044 57 HE2 LYS 11 1HE LYS 11 -5.309 18.473 -17.480 58 HE3 LYS 11 2HE LYS 11 -4.195 18.866 -18.789 59 HZ1 LYS 11 1HZ LYS 11 -4.631 20.982 -16.860 60 HZ2 LYS 11 2HZ LYS 11 -3.195 20.447 -17.576 61 HZ3 LYS 11 3HZ LYS 11 -3.842 19.614 -16.252 62 H LEU 12 H LEU 12 -10.486 21.533 -18.441 63 HA LEU 12 HA LEU 12 -12.187 22.518 -20.447 64 HB2 LEU 12 1HB LEU 12 -12.949 24.111 -18.796 65 HB3 LEU 12 2HB LEU 12 -12.759 22.515 -18.072 66 HG LEU 12 HG LEU 12 -10.575 24.543 -17.812 67 HD11 LEU 12 1HD1 LEU 12 -12.958 24.365 -15.978 68 HD12 LEU 12 2HD1 LEU 12 -12.698 25.647 -17.158 69 HD13 LEU 12 3HD1 LEU 12 -11.568 25.439 -15.821 70 HD21 LEU 12 1HD2 LEU 12 -11.410 22.011 -16.524 71 HD22 LEU 12 2HD2 LEU 12 -10.674 23.235 -15.490 72 HD23 LEU 12 3HD2 LEU 12 -9.796 22.620 -16.892 73 H GLY 13 H GLY 13 -9.053 23.539 -19.354 74 HA2 GLY 13 1HA GLY 13 -7.796 24.824 -21.067 75 HA3 GLY 13 2HA GLY 13 -9.218 25.849 -21.190 76 H GLN 14 H GLN 14 -7.069 24.624 -18.618 77 HA GLN 14 HA GLN 14 -7.137 27.313 -17.425 78 HB2 GLN 14 1HB GLN 14 -6.758 24.581 -16.229 79 HB3 GLN 14 2HB GLN 14 -6.251 26.029 -15.370 80 HG2 GLN 14 1HG GLN 14 -8.486 26.865 -15.315 81 HG3 GLN 14 2HG GLN 14 -9.046 25.575 -16.378 82 HE21 GLN 14 1HE2 GLN 14 -10.354 25.947 -14.073 83 HE22 GLN 14 2HE2 GLN 14 -10.003 24.680 -12.952 84 H ALA 15 H ALA 15 -5.118 27.961 -16.273 85 HA ALA 15 HA ALA 15 -2.727 26.989 -17.698 86 HB1 ALA 15 1HB ALA 15 -2.612 29.763 -16.775 87 HB2 ALA 15 2HB ALA 15 -2.129 29.057 -18.318 88 HB3 ALA 15 3HB ALA 15 -3.820 29.466 -18.026 89 H LEU 16 H LEU 16 -0.842 26.782 -16.527 90 HA LEU 16 HA LEU 16 -0.975 26.076 -13.864 91 HB2 LEU 16 1HB LEU 16 1.447 26.181 -13.837 92 HB3 LEU 16 2HB LEU 16 0.866 25.463 -15.339 93 HG LEU 16 HG LEU 16 1.158 27.946 -16.214 94 HD11 LEU 16 1HD1 LEU 16 2.682 27.839 -13.681 95 HD12 LEU 16 2HD1 LEU 16 1.928 29.208 -14.498 96 HD13 LEU 16 3HD1 LEU 16 3.478 28.587 -15.066 97 HD21 LEU 16 1HD2 LEU 16 3.790 26.978 -16.251 98 HD22 LEU 16 2HD2 LEU 16 2.547 26.767 -17.484 99 HD23 LEU 16 3HD2 LEU 16 2.748 25.556 -16.216 100 H THR 17 H THR 17 -0.471 27.073 -11.921 101 HA THR 17 HA THR 17 -0.536 30.016 -11.991 102 HB THR 17 HB THR 17 -1.342 29.824 -9.608 103 HG1 THR 17 1HG THR 17 -0.740 27.718 -9.122 104 HG21 THR 17 1HG2 THR 17 -3.637 29.290 -10.225 105 HG22 THR 17 2HG2 THR 17 -3.075 28.509 -11.704 106 HG23 THR 17 3HG2 THR 17 -2.871 30.247 -11.491 107 H GLU 18 H GLU 18 0.631 31.138 -10.255 108 HA GLU 18 HA GLU 18 3.118 29.717 -9.564 109 HB2 GLU 18 1HB GLU 18 4.289 31.788 -9.688 110 HB3 GLU 18 2HB GLU 18 3.302 31.671 -11.139 111 HG2 GLU 18 1HG GLU 18 2.158 33.079 -8.794 112 HG3 GLU 18 2HG GLU 18 3.436 33.882 -9.703 113 H VAL 19 H VAL 19 0.565 29.821 -8.051 114 HA VAL 19 HA VAL 19 0.507 31.526 -5.911 115 HB VAL 19 HB VAL 19 -0.593 29.755 -4.624 116 HG11 VAL 19 1HG1 VAL 19 -1.308 30.421 -7.397 117 HG12 VAL 19 2HG1 VAL 19 -2.141 29.020 -6.719 118 HG13 VAL 19 3HG1 VAL 19 -2.243 30.585 -5.911 119 HG21 VAL 19 1HG2 VAL 19 -0.877 27.545 -6.047 120 HG22 VAL 19 2HG2 VAL 19 0.702 28.027 -6.667 121 HG23 VAL 19 3HG2 VAL 19 0.478 27.761 -4.938 122 H TYR 20 H TYR 20 0.990 30.854 -3.560 123 HA TYR 20 HA TYR 20 3.755 29.841 -3.430 124 HB2 TYR 20 1HB TYR 20 3.823 31.317 -1.296 125 HB3 TYR 20 2HB TYR 20 3.963 32.095 -2.868 126 HD1 TYR 20 2HD TYR 20 2.157 33.472 -3.740 127 HD2 TYR 20 1HD TYR 20 1.833 31.600 0.067 128 HE1 TYR 20 2HE TYR 20 0.249 34.925 -3.195 129 HE2 TYR 20 1HE TYR 20 -0.076 33.047 0.623 130 HH TYR 20 HH TYR 20 -0.862 35.801 -1.110 131 H ALA 21 H ALA 21 3.329 27.740 -2.885 132 HA ALA 21 HA ALA 21 1.872 27.312 -0.357 133 HB1 ALA 21 1HB ALA 21 2.133 25.486 -2.740 134 HB2 ALA 21 2HB ALA 21 1.433 25.008 -1.193 135 HB3 ALA 21 3HB ALA 21 0.669 26.276 -2.151 136 H LYS 22 H LYS 22 4.518 28.039 -0.232 137 HA LYS 22 HA LYS 22 6.410 25.995 -0.293 138 HB2 LYS 22 1HB LYS 22 6.167 28.548 1.256 139 HB3 LYS 22 2HB LYS 22 7.472 27.430 1.625 140 HG2 LYS 22 1HG LYS 22 6.994 28.340 -1.183 141 HG3 LYS 22 2HG LYS 22 7.900 29.340 -0.045 142 HD2 LYS 22 1HD LYS 22 9.477 27.519 0.322 143 HD3 LYS 22 2HD LYS 22 8.555 26.484 -0.772 144 HE2 LYS 22 1HE LYS 22 8.955 28.513 -2.428 145 HE3 LYS 22 2HE LYS 22 10.340 28.784 -1.373 146 HZ1 LYS 22 1HZ LYS 22 11.414 27.108 -2.315 147 HZ2 LYS 22 2HZ LYS 22 10.175 26.999 -3.463 148 HZ3 LYS 22 3HZ LYS 22 10.124 26.042 -2.069 149 H ALA 23 H ALA 23 4.243 27.005 2.323 150 HA ALA 23 HA ALA 23 5.149 25.460 4.401 151 HB1 ALA 23 1HB ALA 23 2.806 26.911 3.812 152 HB2 ALA 23 2HB ALA 23 2.296 25.323 4.387 153 HB3 ALA 23 3HB ALA 23 3.356 26.321 5.382 154 H ASN 24 H ASN 24 5.238 23.352 4.873 155 HA ASN 24 HA ASN 24 4.091 21.470 2.939 156 HB2 ASN 24 1HB ASN 24 6.603 21.524 3.665 157 HB3 ASN 24 2HB ASN 24 6.021 20.678 5.094 158 HD21 ASN 24 1HD2 ASN 24 5.672 20.561 1.564 159 HD22 ASN 24 2HD2 ASN 24 5.760 18.839 1.444 160 H SER 25 H SER 25 1.980 21.321 3.655 161 HA SER 25 HA SER 25 1.241 20.963 6.365 162 HB2 SER 25 1HB SER 25 -0.973 20.384 5.482 163 HB3 SER 25 2HB SER 25 -0.326 21.802 4.655 164 HG SER 25 HG SER 25 -1.169 20.378 3.137 165 H PHE 26 H PHE 26 1.938 19.280 7.516 166 HA PHE 26 HA PHE 26 2.822 16.836 6.604 167 HB2 PHE 26 1HB PHE 26 2.842 17.916 8.998 168 HB3 PHE 26 2HB PHE 26 1.368 16.979 9.218 169 HD1 PHE 26 2HD PHE 26 4.584 16.219 7.491 170 HD2 PHE 26 1HD PHE 26 1.832 15.178 10.565 171 HE1 PHE 26 2HE PHE 26 5.933 14.231 8.019 172 HE2 PHE 26 1HE PHE 26 3.177 13.188 11.101 173 HZ PHE 26 HZ PHE 26 5.230 12.712 9.826 174 H THR 27 H THR 27 1.838 15.264 5.542 175 HA THR 27 HA THR 27 -1.066 14.919 5.892 176 HB THR 27 HB THR 27 0.713 14.232 3.549 177 HG1 THR 27 1HG THR 27 -1.625 15.802 3.448 178 HG21 THR 27 1HG2 THR 27 -1.226 13.319 2.445 179 HG22 THR 27 2HG2 THR 27 -2.246 13.701 3.832 180 HG23 THR 27 3HG2 THR 27 -0.992 12.468 3.972 181 H VAL 28 H VAL 28 -1.790 13.111 6.807 182 HA VAL 28 HA VAL 28 0.003 10.774 6.913 183 HB VAL 28 HB VAL 28 -1.897 11.626 9.101 184 HG11 VAL 28 1HG1 VAL 28 0.202 9.460 9.041 185 HG12 VAL 28 2HG1 VAL 28 -0.833 9.873 10.409 186 HG13 VAL 28 3HG1 VAL 28 -1.539 9.205 8.937 187 HG21 VAL 28 1HG2 VAL 28 -0.139 13.204 9.117 188 HG22 VAL 28 2HG2 VAL 28 0.258 12.029 10.370 189 HG23 VAL 28 3HG2 VAL 28 1.078 11.966 8.810 190 H SER 29 H SER 29 -0.846 9.253 5.655 191 HA SER 29 HA SER 29 -3.742 8.748 5.843 192 HB2 SER 29 1HB SER 29 -2.033 8.498 3.357 193 HB3 SER 29 2HB SER 29 -3.754 8.126 3.470 194 HG SER 29 HG SER 29 -3.450 10.209 2.639 195 H SER 30 H SER 30 -4.400 6.551 5.501 196 HA SER 30 HA SER 30 -2.251 4.610 6.059 197 HB2 SER 30 1HB SER 30 -4.043 3.278 7.235 198 HB3 SER 30 2HB SER 30 -3.626 4.802 8.017 199 HG SER 30 HG SER 30 -5.829 4.415 6.269 200 H VAL 31 H VAL 31 -2.526 2.471 5.215 201 HA VAL 31 HA VAL 31 -4.300 2.360 2.863 202 HB VAL 31 HB VAL 31 -1.539 1.165 3.149 203 HG11 VAL 31 1HG1 VAL 31 -2.798 1.159 0.511 204 HG12 VAL 31 2HG1 VAL 31 -1.899 -0.111 1.344 205 HG13 VAL 31 3HG1 VAL 31 -3.611 0.132 1.691 206 HG21 VAL 31 1HG2 VAL 31 -0.718 2.926 2.037 207 HG22 VAL 31 2HG2 VAL 31 -2.085 2.982 0.926 208 HG23 VAL 31 3HG2 VAL 31 -2.206 3.742 2.512 209 H ALA 32 H ALA 32 -5.686 0.713 2.791 210 HA ALA 32 HA ALA 32 -5.904 -1.125 4.940 211 HB1 ALA 32 1HB ALA 32 -7.863 -0.356 3.733 212 HB2 ALA 32 2HB ALA 32 -7.277 -1.119 2.255 213 HB3 ALA 32 3HB ALA 32 -7.737 -2.113 3.637 214 H ALA 33 H ALA 33 -4.359 -2.622 5.221 215 HA ALA 33 HA ALA 33 -3.913 -4.530 3.048 216 HB1 ALA 33 1HB ALA 33 -1.862 -3.776 2.649 217 HB2 ALA 33 2HB ALA 33 -1.951 -2.650 4.004 218 HB3 ALA 33 3HB ALA 33 -1.417 -4.309 4.270 219 HA PRO 34 HA PRO 34 -4.457 -7.465 6.285 220 HB2 PRO 34 1HB PRO 34 -3.286 -9.616 5.115 221 HB3 PRO 34 2HB PRO 34 -4.867 -8.997 4.623 222 HG2 PRO 34 1HG PRO 34 -2.183 -8.553 3.372 223 HG3 PRO 34 2HG PRO 34 -3.738 -8.893 2.591 224 HD2 PRO 34 1HD PRO 34 -2.699 -6.397 2.741 225 HD3 PRO 34 2HD PRO 34 -4.447 -6.706 2.764 226 H SER 35 H SER 35 -3.163 -9.102 7.559 227 HA SER 35 HA SER 35 -0.414 -8.109 7.947 228 HB2 SER 35 1HB SER 35 -1.663 -7.503 9.877 229 HB3 SER 35 2HB SER 35 -2.456 -9.077 9.949 230 HG SER 35 HG SER 35 0.071 -8.312 10.805 231 H TRP 36 H TRP 36 -2.416 -10.833 7.359 232 HA TRP 36 HA TRP 36 -0.779 -12.907 8.309 233 HB2 TRP 36 1HB TRP 36 -2.030 -14.354 6.771 234 HB3 TRP 36 2HB TRP 36 -3.109 -13.260 7.632 235 HD1 TRP 36 HD TRP 36 -4.374 -11.403 6.207 236 HE1 TRP 36 1HE TRP 36 -4.778 -11.132 3.680 237 HE3 TRP 36 3HE TRP 36 -0.931 -14.761 4.473 238 HZ2 TRP 36 2HZ TRP 36 -3.770 -12.202 1.269 239 HZ3 TRP 36 3HZ TRP 36 -0.714 -15.078 2.043 240 HH2 TRP 36 HH TRP 36 -2.105 -13.824 0.476 241 H LEU 37 H LEU 37 -0.454 -10.813 5.605 242 HA LEU 37 HA LEU 37 1.676 -12.518 4.497 243 HB2 LEU 37 1HB LEU 37 1.400 -11.094 2.443 244 HB3 LEU 37 2HB LEU 37 0.056 -12.166 2.826 245 HG LEU 37 HG LEU 37 -0.986 -10.073 3.938 246 HD11 LEU 37 1HD1 LEU 37 -0.215 -8.044 2.468 247 HD12 LEU 37 2HD1 LEU 37 1.306 -8.935 2.415 248 HD13 LEU 37 3HD1 LEU 37 0.625 -8.445 3.966 249 HD21 LEU 37 1HD2 LEU 37 -0.902 -10.998 1.179 250 HD22 LEU 37 2HD2 LEU 37 -1.372 -9.304 1.326 251 HD23 LEU 37 3HD2 LEU 37 -2.280 -10.551 2.184 252 H HIS 38 H HIS 38 1.939 -10.738 6.790 253 HA HIS 38 HA HIS 38 3.302 -8.368 5.961 254 HB2 HIS 38 1HB HIS 38 2.806 -9.760 8.547 255 HB3 HIS 38 2HB HIS 38 4.138 -8.609 8.480 256 HD2 HIS 38 2HD HIS 38 1.662 -7.054 6.249 257 HE1 HIS 38 1HE HIS 38 0.503 -5.781 10.126 258 HE2 HIS 38 2HE HIS 38 0.172 -5.471 7.649 259 H ARG 39 H ARG 39 4.212 -11.663 6.488 260 HA ARG 39 HA ARG 39 6.994 -11.241 6.887 261 HB2 ARG 39 1HB ARG 39 5.724 -13.719 5.725 262 HB3 ARG 39 2HB ARG 39 7.235 -13.597 6.617 263 HG2 ARG 39 1HG ARG 39 4.740 -12.752 7.984 264 HG3 ARG 39 2HG ARG 39 5.019 -14.478 7.741 265 HD2 ARG 39 1HD ARG 39 7.349 -14.027 8.731 266 HD3 ARG 39 2HD ARG 39 6.661 -12.505 9.293 267 HE ARG 39 HE ARG 39 5.490 -13.658 10.888 268 HH11 ARG 39 1HH1 ARG 39 6.705 -15.894 8.512 269 HH12 ARG 39 2HH1 ARG 39 6.255 -17.302 9.417 270 HH21 ARG 39 1HH2 ARG 39 4.891 -15.504 12.087 271 HH22 ARG 39 2HH2 ARG 39 5.222 -17.079 11.449 272 H PHE 40 H PHE 40 4.950 -11.508 4.075 273 HA PHE 40 HA PHE 40 7.233 -11.692 2.276 274 HB2 PHE 40 1HB PHE 40 4.265 -11.575 1.702 275 HB3 PHE 40 2HB PHE 40 5.521 -11.812 0.492 276 HD1 PHE 40 2HD PHE 40 7.187 -13.814 1.087 277 HD2 PHE 40 1HD PHE 40 3.181 -13.436 2.471 278 HE1 PHE 40 2HE PHE 40 7.092 -16.243 1.461 279 HE2 PHE 40 1HE PHE 40 3.079 -15.866 2.849 280 HZ PHE 40 HZ PHE 40 5.036 -17.272 2.343 281 H ILE 41 H ILE 41 4.737 -9.405 3.242 282 HA ILE 41 HA ILE 41 5.270 -7.428 1.306 283 HB ILE 41 HB ILE 41 3.284 -7.635 2.978 284 HG12 ILE 41 1HG1 ILE 41 4.367 -4.855 2.561 285 HG13 ILE 41 2HG1 ILE 41 3.789 -5.831 1.216 286 HG21 ILE 41 1HG2 ILE 41 3.437 -6.408 4.995 287 HG22 ILE 41 2HG2 ILE 41 4.838 -7.478 4.958 288 HG23 ILE 41 3HG2 ILE 41 5.025 -5.768 4.569 289 HD11 ILE 41 1HD1 ILE 41 1.735 -6.010 3.021 290 HD12 ILE 41 2HD1 ILE 41 2.304 -4.353 3.225 291 HD13 ILE 41 3HD1 ILE 41 1.806 -4.924 1.633 292 H ILE 42 H ILE 42 6.692 -8.127 4.440 293 HA ILE 42 HA ILE 42 8.278 -5.712 4.456 294 HB ILE 42 HB ILE 42 8.361 -8.134 6.258 295 HG12 ILE 42 1HG1 ILE 42 7.276 -5.356 6.766 296 HG13 ILE 42 2HG1 ILE 42 6.284 -6.748 6.346 297 HG21 ILE 42 1HG2 ILE 42 10.360 -6.264 5.880 298 HG22 ILE 42 2HG2 ILE 42 9.502 -5.682 7.305 299 HG23 ILE 42 3HG2 ILE 42 10.164 -7.316 7.281 300 HD11 ILE 42 1HD1 ILE 42 7.595 -7.751 8.455 301 HD12 ILE 42 2HD1 ILE 42 7.581 -6.041 8.889 302 HD13 ILE 42 3HD1 ILE 42 6.063 -6.884 8.577 303 H GLY 43 H GLY 43 8.937 -9.204 4.175 304 HA2 GLY 43 1HA GLY 43 10.504 -10.175 2.714 305 HA3 GLY 43 2HA GLY 43 11.224 -8.590 2.470 306 H LYS 44 H LYS 44 12.932 -10.601 2.816 307 HA LYS 44 HA LYS 44 13.623 -11.282 5.446 308 HB2 LYS 44 1HB LYS 44 14.465 -12.258 3.206 309 HB3 LYS 44 2HB LYS 44 15.652 -10.962 3.248 310 HG2 LYS 44 1HG LYS 44 16.261 -11.827 5.569 311 HG3 LYS 44 2HG LYS 44 15.332 -13.266 5.140 312 HD2 LYS 44 1HD LYS 44 16.769 -13.420 3.066 313 HD3 LYS 44 2HD LYS 44 17.791 -12.173 3.784 314 HE2 LYS 44 1HE LYS 44 17.111 -14.746 5.191 315 HE3 LYS 44 2HE LYS 44 18.520 -14.571 4.146 316 HZ1 LYS 44 1HZ LYS 44 19.219 -14.182 6.359 317 HZ2 LYS 44 2HZ LYS 44 17.951 -13.104 6.658 318 HZ3 LYS 44 3HZ LYS 44 19.193 -12.674 5.593 319 H LYS 45 H LYS 45 14.959 -10.375 6.954 320 HA LYS 45 HA LYS 45 15.661 -8.525 8.150 321 HB2 LYS 45 1HB LYS 45 17.623 -9.600 6.793 322 HB3 LYS 45 2HB LYS 45 17.569 -8.101 5.877 323 HG2 LYS 45 1HG LYS 45 17.922 -6.832 7.940 324 HG3 LYS 45 2HG LYS 45 18.000 -8.344 8.848 325 HD2 LYS 45 1HD LYS 45 20.240 -7.798 8.481 326 HD3 LYS 45 2HD LYS 45 19.887 -8.984 7.222 327 HE2 LYS 45 1HE LYS 45 21.072 -7.259 6.145 328 HE3 LYS 45 2HE LYS 45 19.381 -7.012 5.709 329 HZ1 LYS 45 1HZ LYS 45 19.432 -5.005 6.610 330 HZ2 LYS 45 2HZ LYS 45 21.094 -5.180 6.867 331 HZ3 LYS 45 3HZ LYS 45 20.000 -5.606 8.086 332 H GLY 46 H GLY 46 13.460 -7.845 6.457 333 HA2 GLY 46 1HA GLY 46 12.396 -6.019 5.553 334 HA3 GLY 46 2HA GLY 46 13.417 -5.095 6.645 335 H GLN 47 H GLN 47 13.604 -6.770 3.506 336 HA GLN 47 HA GLN 47 15.620 -4.862 2.618 337 HB2 GLN 47 1HB GLN 47 14.561 -7.454 1.541 338 HB3 GLN 47 2HB GLN 47 15.462 -6.362 0.496 339 HG2 GLN 47 1HG GLN 47 16.540 -7.319 3.127 340 HG3 GLN 47 2HG GLN 47 16.763 -8.218 1.626 341 HE21 GLN 47 1HE2 GLN 47 18.882 -7.250 3.132 342 HE22 GLN 47 2HE2 GLN 47 19.691 -6.018 2.231 343 H ASN 48 H ASN 48 12.546 -6.154 1.344 344 HA ASN 48 HA ASN 48 12.178 -4.396 -0.742 345 HB2 ASN 48 1HB ASN 48 10.065 -5.574 1.077 346 HB3 ASN 48 2HB ASN 48 9.751 -4.843 -0.495 347 HD21 ASN 48 1HD2 ASN 48 10.112 -7.688 1.041 348 HD22 ASN 48 2HD2 ASN 48 10.630 -8.680 -0.276 349 H LEU 49 H LEU 49 11.428 -3.933 2.674 350 HA LEU 49 HA LEU 49 10.117 -1.427 2.328 351 HB2 LEU 49 1HB LEU 49 11.233 -2.922 4.664 352 HB3 LEU 49 2HB LEU 49 10.712 -1.249 4.852 353 HG LEU 49 HG LEU 49 8.869 -3.348 3.750 354 HD11 LEU 49 1HD1 LEU 49 9.638 -2.829 6.587 355 HD12 LEU 49 2HD1 LEU 49 9.323 -4.359 5.768 356 HD13 LEU 49 3HD1 LEU 49 7.983 -3.295 6.195 357 HD21 LEU 49 1HD2 LEU 49 7.639 -1.361 5.366 358 HD22 LEU 49 2HD2 LEU 49 7.454 -1.645 3.635 359 HD23 LEU 49 3HD2 LEU 49 8.714 -0.557 4.222 360 H ALA 50 H ALA 50 13.411 -2.385 3.199 361 HA ALA 50 HA ALA 50 14.511 0.046 3.863 362 HB1 ALA 50 1HB ALA 50 16.661 -0.871 3.001 363 HB2 ALA 50 2HB ALA 50 15.790 -1.966 4.076 364 HB3 ALA 50 3HB ALA 50 15.756 -2.232 2.333 365 H LYS 51 H LYS 51 14.042 -1.310 0.620 366 HA LYS 51 HA LYS 51 15.326 0.677 -0.852 367 HB2 LYS 51 1HB LYS 51 13.199 -1.325 -1.419 368 HB3 LYS 51 2HB LYS 51 13.413 -0.022 -2.581 369 HG2 LYS 51 1HG LYS 51 14.826 -1.566 -3.466 370 HG3 LYS 51 2HG LYS 51 15.946 -0.730 -2.387 371 HD2 LYS 51 1HD LYS 51 16.336 -2.989 -1.951 372 HD3 LYS 51 2HD LYS 51 15.258 -2.493 -0.645 373 HE2 LYS 51 1HE LYS 51 14.443 -4.571 -1.436 374 HE3 LYS 51 2HE LYS 51 13.349 -3.336 -2.057 375 HZ1 LYS 51 1HZ LYS 51 15.614 -4.366 -3.657 376 HZ2 LYS 51 2HZ LYS 51 14.250 -3.522 -4.192 377 HZ3 LYS 51 3HZ LYS 51 14.100 -5.122 -3.664 378 H ILE 52 H ILE 52 11.809 0.381 -0.313 379 HA ILE 52 HA ILE 52 11.029 2.801 -1.371 380 HB ILE 52 HB ILE 52 9.841 1.379 1.014 381 HG12 ILE 52 1HG1 ILE 52 8.832 1.348 -1.823 382 HG13 ILE 52 2HG1 ILE 52 10.037 0.192 -1.264 383 HG21 ILE 52 1HG2 ILE 52 7.770 2.680 -0.105 384 HG22 ILE 52 2HG2 ILE 52 8.726 3.329 1.225 385 HG23 ILE 52 3HG2 ILE 52 9.067 3.829 -0.431 386 HD11 ILE 52 1HD1 ILE 52 8.353 -0.337 0.599 387 HD12 ILE 52 2HD1 ILE 52 7.183 0.486 -0.432 388 HD13 ILE 52 3HD1 ILE 52 8.032 -0.940 -1.027 389 H THR 53 H THR 53 11.897 2.126 2.016 390 HA THR 53 HA THR 53 11.576 4.756 2.953 391 HB THR 53 HB THR 53 13.030 4.055 4.852 392 HG1 THR 53 1HG THR 53 13.519 1.943 3.086 393 HG21 THR 53 1HG2 THR 53 10.678 2.468 3.939 394 HG22 THR 53 2HG2 THR 53 10.842 3.545 5.326 395 HG23 THR 53 3HG2 THR 53 11.553 1.932 5.373 396 H GLN 54 H GLN 54 14.035 3.313 1.051 397 HA GLN 54 HA GLN 54 16.088 5.220 1.747 398 HB2 GLN 54 1HB GLN 54 16.608 2.886 1.055 399 HB3 GLN 54 2HB GLN 54 16.004 3.263 -0.553 400 HG2 GLN 54 1HG GLN 54 17.746 5.123 -0.585 401 HG3 GLN 54 2HG GLN 54 18.448 4.322 0.820 402 HE21 GLN 54 1HE2 GLN 54 20.341 3.824 -0.267 403 HE22 GLN 54 2HE2 GLN 54 20.415 2.603 -1.487 404 H GLN 55 H GLN 55 13.995 4.594 -1.054 405 HA GLN 55 HA GLN 55 14.940 6.875 -2.502 406 HB2 GLN 55 1HB GLN 55 13.170 6.352 -4.093 407 HB3 GLN 55 2HB GLN 55 14.041 4.892 -3.645 408 HG2 GLN 55 1HG GLN 55 12.257 4.224 -2.173 409 HG3 GLN 55 2HG GLN 55 11.404 5.738 -2.468 410 HE21 GLN 55 1HE2 GLN 55 11.067 6.153 -4.905 411 HE22 GLN 55 2HE2 GLN 55 10.450 4.813 -5.802 412 H MET 56 H MET 56 12.410 6.264 -0.202 413 HA MET 56 HA MET 56 11.647 9.097 -0.360 414 HB2 MET 56 1HB MET 56 9.854 6.692 -0.357 415 HB3 MET 56 2HB MET 56 9.294 8.210 0.334 416 HG2 MET 56 1HG MET 56 9.618 9.337 -1.773 417 HG3 MET 56 2HG MET 56 10.304 7.875 -2.479 418 HE1 MET 56 1HE MET 56 7.325 5.517 -2.908 419 HE2 MET 56 2HE MET 56 9.059 5.787 -3.071 420 HE3 MET 56 3HE MET 56 8.354 5.516 -1.476 421 HA PRO 57 HA PRO 57 12.884 7.968 3.943 422 HB2 PRO 57 1HB PRO 57 14.210 10.293 4.402 423 HB3 PRO 57 2HB PRO 57 14.961 8.897 3.621 424 HG2 PRO 57 1HG PRO 57 13.810 11.367 2.384 425 HG3 PRO 57 2HG PRO 57 15.312 10.513 1.987 426 HD2 PRO 57 1HD PRO 57 13.047 10.231 0.530 427 HD3 PRO 57 2HD PRO 57 14.221 8.915 0.735 428 H LYS 58 H LYS 58 11.514 10.916 2.574 429 HA LYS 58 HA LYS 58 10.620 12.129 4.926 430 HB2 LYS 58 1HB LYS 58 9.657 12.215 2.081 431 HB3 LYS 58 2HB LYS 58 8.812 13.098 3.345 432 HG2 LYS 58 1HG LYS 58 11.748 13.470 3.108 433 HG3 LYS 58 2HG LYS 58 10.707 14.215 1.892 434 HD2 LYS 58 1HD LYS 58 11.005 15.838 3.586 435 HD3 LYS 58 2HD LYS 58 9.380 15.188 3.814 436 HE2 LYS 58 1HE LYS 58 11.624 13.907 5.284 437 HE3 LYS 58 2HE LYS 58 11.069 15.487 5.834 438 HZ1 LYS 58 1HZ LYS 58 9.997 13.319 6.755 439 HZ2 LYS 58 2HZ LYS 58 9.087 13.382 5.332 440 HZ3 LYS 58 3HZ LYS 58 9.032 14.669 6.426 441 H VAL 59 H VAL 59 9.157 9.622 2.928 442 HA VAL 59 HA VAL 59 6.692 9.584 4.401 443 HB VAL 59 HB VAL 59 7.830 7.585 2.441 444 HG11 VAL 59 1HG1 VAL 59 5.788 7.181 4.262 445 HG12 VAL 59 2HG1 VAL 59 4.947 7.612 2.772 446 HG13 VAL 59 3HG1 VAL 59 6.074 6.256 2.788 447 HG21 VAL 59 1HG2 VAL 59 7.441 9.691 1.367 448 HG22 VAL 59 2HG2 VAL 59 6.142 8.591 0.904 449 HG23 VAL 59 3HG2 VAL 59 5.852 9.837 2.119 450 H HIS 60 H HIS 60 6.113 8.317 6.079 451 HA HIS 60 HA HIS 60 8.161 6.487 7.145 452 HB2 HIS 60 1HB HIS 60 7.486 8.576 8.487 453 HB3 HIS 60 2HB HIS 60 5.964 7.741 8.780 454 HD1 HIS 60 1HD HIS 60 9.518 6.388 8.903 455 HD2 HIS 60 2HD HIS 60 6.181 6.867 11.332 456 HE1 HIS 60 1HE HIS 60 10.103 5.271 11.078 457 H ILE 61 H ILE 61 7.665 4.432 6.797 458 HA ILE 61 HA ILE 61 4.869 3.630 6.544 459 HB ILE 61 HB ILE 61 7.363 1.988 6.094 460 HG12 ILE 61 1HG1 ILE 61 5.561 3.180 3.989 461 HG13 ILE 61 2HG1 ILE 61 7.000 4.008 4.575 462 HG21 ILE 61 1HG2 ILE 61 5.895 0.302 6.190 463 HG22 ILE 61 2HG2 ILE 61 4.506 1.381 6.076 464 HG23 ILE 61 3HG2 ILE 61 5.352 0.875 4.614 465 HD11 ILE 61 1HD1 ILE 61 7.044 2.490 2.426 466 HD12 ILE 61 2HD1 ILE 61 8.416 2.570 3.531 467 HD13 ILE 61 3HD1 ILE 61 7.290 1.216 3.620 468 H GLU 62 H GLU 62 3.801 2.438 8.009 469 HA GLU 62 HA GLU 62 5.326 1.215 10.204 470 HB2 GLU 62 1HB GLU 62 4.462 3.279 11.095 471 HB3 GLU 62 2HB GLU 62 2.861 2.941 10.452 472 HG2 GLU 62 1HG GLU 62 2.636 1.053 11.972 473 HG3 GLU 62 2HG GLU 62 4.253 1.361 12.604 474 H PHE 63 H PHE 63 4.455 -0.661 11.081 475 HA PHE 63 HA PHE 63 2.149 -1.783 9.629 476 HB2 PHE 63 1HB PHE 63 4.818 -2.945 10.251 477 HB3 PHE 63 2HB PHE 63 3.428 -4.022 10.332 478 HD1 PHE 63 2HD PHE 63 1.855 -4.002 8.263 479 HD2 PHE 63 1HD PHE 63 5.870 -2.590 8.231 480 HE1 PHE 63 2HE PHE 63 1.931 -4.282 5.820 481 HE2 PHE 63 1HE PHE 63 5.952 -2.866 5.788 482 HZ PHE 63 HZ PHE 63 3.981 -3.715 4.579 483 H THR 64 H THR 64 0.470 -2.230 10.878 484 HA THR 64 HA THR 64 0.820 -2.326 13.773 485 HB THR 64 HB THR 64 -1.778 -2.455 13.660 486 HG1 THR 64 1HG THR 64 -2.297 -1.184 11.573 487 HG21 THR 64 1HG2 THR 64 -1.852 -0.184 13.958 488 HG22 THR 64 2HG2 THR 64 -0.783 0.140 12.595 489 HG23 THR 64 3HG2 THR 64 -0.116 -0.444 14.119 490 H GLU 65 H GLU 65 -0.601 -3.926 14.971 491 HA GLU 65 HA GLU 65 -0.134 -6.575 13.824 492 HB2 GLU 65 1HB GLU 65 0.763 -6.203 16.047 493 HB3 GLU 65 2HB GLU 65 -0.816 -5.704 16.636 494 HG2 GLU 65 1HG GLU 65 -1.563 -8.068 15.885 495 HG3 GLU 65 2HG GLU 65 0.161 -8.433 15.932 496 H GLY 66 H GLY 66 -2.690 -5.224 15.919 497 HA2 GLY 66 1HA GLY 66 -4.627 -7.059 14.819 498 HA3 GLY 66 2HA GLY 66 -4.921 -5.843 16.054 499 H GLU 67 H GLU 67 -4.126 -3.544 14.728 500 HA GLU 67 HA GLU 67 -6.400 -2.775 13.379 501 HB2 GLU 67 1HB GLU 67 -3.589 -1.694 13.124 502 HB3 GLU 67 2HB GLU 67 -5.012 -0.896 12.468 503 HG2 GLU 67 1HG GLU 67 -4.578 0.175 14.500 504 HG3 GLU 67 2HG GLU 67 -5.934 -0.904 14.824 505 H ASP 68 H ASP 68 -3.648 -4.509 12.182 506 HA ASP 68 HA ASP 68 -3.061 -5.275 10.110 507 HB2 ASP 68 1HB ASP 68 -4.884 -6.342 8.869 508 HB3 ASP 68 2HB ASP 68 -5.026 -6.670 10.594 509 H LYS 69 H LYS 69 -2.727 -2.663 10.031 510 HA LYS 69 HA LYS 69 -3.502 -1.978 7.313 511 HB2 LYS 69 1HB LYS 69 -4.438 0.141 7.829 512 HB3 LYS 69 2HB LYS 69 -5.240 -1.019 8.879 513 HG2 LYS 69 1HG LYS 69 -4.135 -0.261 10.774 514 HG3 LYS 69 2HG LYS 69 -2.854 0.510 9.836 515 HD2 LYS 69 1HD LYS 69 -4.097 2.338 10.482 516 HD3 LYS 69 2HD LYS 69 -4.822 1.971 8.915 517 HE2 LYS 69 1HE LYS 69 -6.687 0.918 9.922 518 HE3 LYS 69 2HE LYS 69 -5.903 0.879 11.501 519 HZ1 LYS 69 1HZ LYS 69 -6.929 2.780 11.932 520 HZ2 LYS 69 2HZ LYS 69 -7.487 2.928 10.341 521 HZ3 LYS 69 3HZ LYS 69 -5.964 3.533 10.763 522 H ILE 70 H ILE 70 -2.300 -0.070 6.504 523 HA ILE 70 HA ILE 70 0.335 0.109 7.810 524 HB ILE 70 HB ILE 70 -0.298 0.555 4.891 525 HG12 ILE 70 1HG1 ILE 70 1.064 -1.806 6.204 526 HG13 ILE 70 2HG1 ILE 70 -0.596 -1.807 5.618 527 HG21 ILE 70 1HG2 ILE 70 2.440 0.040 5.917 528 HG22 ILE 70 2HG2 ILE 70 1.910 0.999 4.536 529 HG23 ILE 70 3HG2 ILE 70 1.745 1.641 6.170 530 HD11 ILE 70 1HD1 ILE 70 0.171 -1.467 3.355 531 HD12 ILE 70 2HD1 ILE 70 1.840 -1.352 3.913 532 HD13 ILE 70 3HD1 ILE 70 0.964 -2.875 4.061 533 H THR 71 H THR 71 0.717 1.981 8.769 534 HA THR 71 HA THR 71 -0.795 4.352 8.007 535 HB THR 71 HB THR 71 1.183 4.017 10.271 536 HG1 THR 71 1HG THR 71 -0.397 2.908 11.135 537 HG21 THR 71 1HG2 THR 71 -0.530 6.237 9.319 538 HG22 THR 71 2HG2 THR 71 1.013 6.281 10.172 539 HG23 THR 71 3HG2 THR 71 -0.478 5.971 11.061 540 H LEU 72 H LEU 72 0.044 6.131 7.052 541 HA LEU 72 HA LEU 72 2.935 6.130 6.480 542 HB2 LEU 72 1HB LEU 72 0.617 6.777 4.684 543 HB3 LEU 72 2HB LEU 72 2.247 7.363 4.350 544 HG LEU 72 HG LEU 72 1.817 5.411 3.018 545 HD11 LEU 72 1HD1 LEU 72 3.684 4.045 3.642 546 HD12 LEU 72 2HD1 LEU 72 3.614 4.624 5.306 547 HD13 LEU 72 3HD1 LEU 72 4.075 5.725 4.009 548 HD21 LEU 72 1HD2 LEU 72 1.590 3.555 5.292 549 HD22 LEU 72 2HD2 LEU 72 0.793 3.530 3.719 550 HD23 LEU 72 3HD2 LEU 72 0.185 4.578 5.000 551 H GLU 73 H GLU 73 4.006 8.074 6.597 552 HA GLU 73 HA GLU 73 2.446 10.461 7.275 553 HB2 GLU 73 1HB GLU 73 4.707 9.294 8.892 554 HB3 GLU 73 2HB GLU 73 4.206 10.972 9.041 555 HG2 GLU 73 1HG GLU 73 2.256 10.446 10.089 556 HG3 GLU 73 2HG GLU 73 2.125 8.875 9.302 557 H GLY 74 H GLY 74 3.180 12.290 6.353 558 HA2 GLY 74 1HA GLY 74 5.555 13.329 5.862 559 HA3 GLY 74 2HA GLY 74 5.541 12.061 4.645 560 HA PRO 75 HA PRO 75 3.723 15.921 2.803 561 HB2 PRO 75 1HB PRO 75 5.226 15.841 0.544 562 HB3 PRO 75 2HB PRO 75 5.769 16.627 2.031 563 HG2 PRO 75 1HG PRO 75 6.450 13.914 0.964 564 HG3 PRO 75 2HG PRO 75 7.513 15.123 1.707 565 HD2 PRO 75 1HD PRO 75 6.568 12.982 3.069 566 HD3 PRO 75 2HD PRO 75 6.884 14.546 3.848 567 H THR 76 H THR 76 1.850 15.648 1.781 568 HA THR 76 HA THR 76 0.754 13.366 0.831 569 HB THR 76 HB THR 76 -0.573 15.378 1.038 570 HG1 THR 76 1HG THR 76 -0.975 13.654 -0.704 571 HG21 THR 76 1HG2 THR 76 -0.405 17.051 -0.927 572 HG22 THR 76 2HG2 THR 76 1.208 16.378 -1.160 573 HG23 THR 76 3HG2 THR 76 0.787 17.151 0.368 574 H GLU 77 H GLU 77 3.107 15.349 -0.791 575 HA GLU 77 HA GLU 77 2.757 14.384 -3.416 576 HB2 GLU 77 1HB GLU 77 4.048 16.404 -2.914 577 HB3 GLU 77 2HB GLU 77 5.253 15.436 -2.076 578 HG2 GLU 77 1HG GLU 77 5.780 14.288 -4.174 579 HG3 GLU 77 2HG GLU 77 4.591 15.287 -5.008 580 H ASP 78 H ASP 78 5.064 13.414 -0.880 581 HA ASP 78 HA ASP 78 6.007 11.172 -2.411 582 HB2 ASP 78 1HB ASP 78 6.453 11.872 0.500 583 HB3 ASP 78 2HB ASP 78 7.330 10.642 -0.406 584 H VAL 79 H VAL 79 3.951 11.607 0.448 585 HA VAL 79 HA VAL 79 3.495 9.012 1.192 586 HB VAL 79 HB VAL 79 1.436 11.219 1.074 587 HG11 VAL 79 1HG1 VAL 79 0.977 8.561 1.566 588 HG12 VAL 79 2HG1 VAL 79 1.205 9.220 3.187 589 HG13 VAL 79 3HG1 VAL 79 -0.030 9.897 2.124 590 HG21 VAL 79 1HG2 VAL 79 2.081 11.773 3.296 591 HG22 VAL 79 2HG2 VAL 79 3.132 10.362 3.412 592 HG23 VAL 79 3HG2 VAL 79 3.559 11.693 2.338 593 H SER 80 H SER 80 2.066 10.760 -1.511 594 HA SER 80 HA SER 80 0.135 8.810 -2.197 595 HB2 SER 80 1HB SER 80 1.337 11.184 -3.538 596 HB3 SER 80 2HB SER 80 0.493 10.014 -4.551 597 HG SER 80 HG SER 80 -0.498 11.741 -2.615 598 H VAL 81 H VAL 81 3.522 9.210 -2.972 599 HA VAL 81 HA VAL 81 3.505 7.155 -5.003 600 HB VAL 81 HB VAL 81 5.862 8.498 -3.671 601 HG11 VAL 81 1HG1 VAL 81 6.066 6.230 -4.961 602 HG12 VAL 81 2HG1 VAL 81 5.926 7.261 -6.386 603 HG13 VAL 81 3HG1 VAL 81 7.237 7.520 -5.234 604 HG21 VAL 81 1HG2 VAL 81 4.478 10.148 -4.767 605 HG22 VAL 81 2HG2 VAL 81 5.939 9.883 -5.719 606 HG23 VAL 81 3HG2 VAL 81 4.412 9.167 -6.231 607 H ALA 82 H ALA 82 4.439 7.471 -1.622 608 HA ALA 82 HA ALA 82 5.665 4.901 -1.431 609 HB1 ALA 82 1HB ALA 82 6.396 6.404 0.182 610 HB2 ALA 82 2HB ALA 82 4.758 6.938 0.570 611 HB3 ALA 82 3HB ALA 82 5.313 5.344 1.083 612 H GLN 83 H GLN 83 2.452 6.178 -0.662 613 HA GLN 83 HA GLN 83 1.457 3.773 0.467 614 HB2 GLN 83 1HB GLN 83 -0.610 4.846 0.593 615 HB3 GLN 83 2HB GLN 83 0.537 6.177 0.678 616 HG2 GLN 83 1HG GLN 83 0.131 6.795 -1.567 617 HG3 GLN 83 2HG GLN 83 -0.763 5.308 -1.885 618 HE21 GLN 83 1HE2 GLN 83 -2.896 5.245 -1.497 619 HE22 GLN 83 2HE2 GLN 83 -3.810 6.547 -0.824 620 H GLU 84 H GLU 84 1.491 5.107 -2.788 621 HA GLU 84 HA GLU 84 -0.271 3.192 -3.928 622 HB2 GLU 84 1HB GLU 84 0.302 5.424 -4.925 623 HB3 GLU 84 2HB GLU 84 1.881 4.771 -5.342 624 HG2 GLU 84 1HG GLU 84 0.885 3.148 -6.803 625 HG3 GLU 84 2HG GLU 84 -0.733 3.630 -6.298 626 H GLN 85 H GLN 85 3.270 3.457 -3.819 627 HA GLN 85 HA GLN 85 3.938 1.246 -5.338 628 HB2 GLN 85 1HB GLN 85 5.260 2.675 -3.075 629 HB3 GLN 85 2HB GLN 85 5.944 1.150 -3.621 630 HG2 GLN 85 1HG GLN 85 5.885 2.190 -5.963 631 HG3 GLN 85 2HG GLN 85 5.657 3.722 -5.122 632 HE21 GLN 85 1HE2 GLN 85 7.429 4.799 -4.665 633 HE22 GLN 85 2HE2 GLN 85 9.014 4.133 -4.492 634 H ILE 86 H ILE 86 3.016 1.412 -1.936 635 HA ILE 86 HA ILE 86 3.561 -1.309 -1.341 636 HB ILE 86 HB ILE 86 1.669 0.607 0.029 637 HG12 ILE 86 1HG1 ILE 86 4.447 -0.195 0.892 638 HG13 ILE 86 2HG1 ILE 86 4.144 1.215 -0.117 639 HG21 ILE 86 1HG2 ILE 86 1.346 -1.898 0.409 640 HG22 ILE 86 2HG2 ILE 86 2.901 -1.848 1.238 641 HG23 ILE 86 3HG2 ILE 86 1.553 -0.881 1.835 642 HD11 ILE 86 1HD1 ILE 86 2.695 0.903 2.470 643 HD12 ILE 86 2HD1 ILE 86 4.361 1.482 2.448 644 HD13 ILE 86 3HD1 ILE 86 3.108 2.369 1.581 645 H GLU 87 H GLU 87 0.530 0.415 -2.068 646 HA GLU 87 HA GLU 87 -1.269 -1.644 -1.881 647 HB2 GLU 87 1HB GLU 87 -1.140 0.710 -3.746 648 HB3 GLU 87 2HB GLU 87 -2.473 -0.434 -3.822 649 HG2 GLU 87 1HG GLU 87 -2.583 0.054 -1.234 650 HG3 GLU 87 2HG GLU 87 -1.787 1.549 -1.723 651 H GLY 88 H GLY 88 0.940 -0.936 -4.538 652 HA2 GLY 88 1HA GLY 88 -0.083 -2.749 -6.419 653 HA3 GLY 88 2HA GLY 88 1.577 -2.176 -6.360 654 H MET 89 H MET 89 2.551 -3.196 -4.061 655 HA MET 89 HA MET 89 2.979 -5.920 -4.742 656 HB2 MET 89 1HB MET 89 4.391 -5.999 -2.757 657 HB3 MET 89 2HB MET 89 4.707 -4.534 -3.675 658 HG2 MET 89 1HG MET 89 3.677 -3.174 -2.102 659 HG3 MET 89 2HG MET 89 2.786 -4.515 -1.386 660 HE1 MET 89 1HE MET 89 5.629 -2.160 -1.060 661 HE2 MET 89 2HE MET 89 6.971 -3.061 -0.355 662 HE3 MET 89 3HE MET 89 6.536 -3.306 -2.047 663 H VAL 90 H VAL 90 0.775 -4.290 -2.629 664 HA VAL 90 HA VAL 90 0.154 -6.484 -0.933 665 HB VAL 90 HB VAL 90 -1.390 -3.980 -1.605 666 HG11 VAL 90 1HG1 VAL 90 -2.292 -5.089 0.827 667 HG12 VAL 90 2HG1 VAL 90 -3.197 -4.870 -0.672 668 HG13 VAL 90 3HG1 VAL 90 -2.334 -6.378 -0.375 669 HG21 VAL 90 1HG2 VAL 90 -0.256 -4.584 1.076 670 HG22 VAL 90 2HG2 VAL 90 0.854 -4.106 -0.209 671 HG23 VAL 90 3HG2 VAL 90 -0.466 -3.034 0.259 672 H LYS 91 H LYS 91 -1.633 -5.045 -3.667 673 HA LYS 91 HA LYS 91 -3.600 -7.069 -3.776 674 HB2 LYS 91 1HB LYS 91 -3.527 -4.667 -4.833 675 HB3 LYS 91 2HB LYS 91 -2.808 -5.503 -6.202 676 HG2 LYS 91 1HG LYS 91 -4.768 -6.949 -6.357 677 HG3 LYS 91 2HG LYS 91 -5.489 -6.120 -4.976 678 HD2 LYS 91 1HD LYS 91 -4.651 -4.651 -7.461 679 HD3 LYS 91 2HD LYS 91 -6.244 -5.395 -7.306 680 HE2 LYS 91 1HE LYS 91 -6.901 -3.942 -5.630 681 HE3 LYS 91 2HE LYS 91 -5.242 -3.565 -5.166 682 HZ1 LYS 91 1HZ LYS 91 -6.849 -2.029 -6.734 683 HZ2 LYS 91 2HZ LYS 91 -5.839 -2.791 -7.857 684 HZ3 LYS 91 3HZ LYS 91 -5.169 -1.882 -6.598 685 H ASP 92 H ASP 92 -0.493 -6.660 -5.380 686 HA ASP 92 HA ASP 92 -0.767 -8.783 -7.225 687 HB2 ASP 92 1HB ASP 92 0.934 -7.018 -7.458 688 HB3 ASP 92 2HB ASP 92 1.753 -7.619 -6.020 689 H LEU 93 H LEU 93 0.651 -8.618 -3.978 690 HA LEU 93 HA LEU 93 1.646 -11.216 -3.835 691 HB2 LEU 93 1HB LEU 93 0.718 -9.226 -1.818 692 HB3 LEU 93 2HB LEU 93 1.089 -10.868 -1.297 693 HG LEU 93 HG LEU 93 3.101 -9.283 -2.848 694 HD11 LEU 93 1HD1 LEU 93 2.177 -8.017 -0.804 695 HD12 LEU 93 2HD1 LEU 93 3.924 -8.208 -0.962 696 HD13 LEU 93 3HD1 LEU 93 3.020 -9.242 0.144 697 HD21 LEU 93 1HD2 LEU 93 4.662 -10.699 -1.605 698 HD22 LEU 93 2HD2 LEU 93 3.499 -11.662 -2.517 699 HD23 LEU 93 3HD2 LEU 93 3.308 -11.463 -0.774 700 H ILE 94 H ILE 94 -1.545 -9.967 -2.899 701 HA ILE 94 HA ILE 94 -2.572 -12.460 -2.032 702 HB ILE 94 HB ILE 94 -4.090 -10.043 -3.021 703 HG12 ILE 94 1HG1 ILE 94 -3.638 -10.793 -0.145 704 HG13 ILE 94 2HG1 ILE 94 -2.449 -9.834 -1.020 705 HG21 ILE 94 1HG2 ILE 94 -5.045 -12.582 -2.523 706 HG22 ILE 94 2HG2 ILE 94 -5.367 -11.717 -1.021 707 HG23 ILE 94 3HG2 ILE 94 -5.996 -11.098 -2.547 708 HD11 ILE 94 1HD1 ILE 94 -3.718 -7.987 -0.968 709 HD12 ILE 94 2HD1 ILE 94 -5.218 -8.882 -1.217 710 HD13 ILE 94 3HD1 ILE 94 -4.495 -8.801 0.389 711 H ASN 95 H ASN 95 -2.769 -10.714 -5.109 712 HA ASN 95 HA ASN 95 -4.508 -12.494 -6.414 713 HB2 ASN 95 1HB ASN 95 -2.398 -10.626 -7.511 714 HB3 ASN 95 2HB ASN 95 -3.551 -11.498 -8.518 715 HD21 ASN 95 1HD2 ASN 95 -3.604 -8.904 -8.815 716 HD22 ASN 95 2HD2 ASN 95 -4.959 -8.180 -8.023 717 H ARG 96 H ARG 96 -0.995 -12.436 -6.102 718 HA ARG 96 HA ARG 96 -0.652 -14.727 -7.827 719 HB2 ARG 96 1HB ARG 96 1.185 -12.987 -6.221 720 HB3 ARG 96 2HB ARG 96 1.757 -14.534 -6.830 721 HG2 ARG 96 1HG ARG 96 0.834 -13.652 -9.106 722 HG3 ARG 96 2HG ARG 96 0.983 -12.077 -8.324 723 HD2 ARG 96 1HD ARG 96 3.031 -12.356 -9.399 724 HD3 ARG 96 2HD ARG 96 3.367 -12.825 -7.733 725 HE ARG 96 HE ARG 96 2.633 -15.096 -9.233 726 HH11 ARG 96 1HH1 ARG 96 5.249 -12.832 -8.845 727 HH12 ARG 96 2HH1 ARG 96 6.469 -13.956 -9.343 728 HH21 ARG 96 1HH2 ARG 96 4.230 -16.586 -9.890 729 HH22 ARG 96 2HH2 ARG 96 5.889 -16.091 -9.938 730 H SER 97 H SER 97 -2.395 -15.250 -5.687 731 HA SER 97 HA SER 97 -0.879 -16.780 -3.730 732 HB2 SER 97 1HB SER 97 -2.806 -15.440 -2.975 733 HB3 SER 97 2HB SER 97 -3.869 -16.392 -4.011 734 HG SER 97 HG SER 97 -3.461 -16.944 -1.603 735 H GLY 98 H GLY 98 -1.514 -19.031 -3.249 736 HA2 GLY 98 1HA GLY 98 -3.010 -20.708 -4.831 737 HA3 GLY 98 2HA GLY 98 -1.453 -20.601 -5.640 738 HA PRO 99 HA PRO 99 -0.843 -22.703 -1.291 739 HB2 PRO 99 1HB PRO 99 -3.083 -23.876 -0.301 740 HB3 PRO 99 2HB PRO 99 -2.612 -22.219 0.093 741 HG2 PRO 99 1HG PRO 99 -4.615 -23.192 -1.907 742 HG3 PRO 99 2HG PRO 99 -4.740 -21.841 -0.765 743 HD2 PRO 99 1HD PRO 99 -4.151 -21.486 -3.384 744 HD3 PRO 99 2HD PRO 99 -3.513 -20.428 -2.110 745 H SER 100 H SER 100 -3.177 -23.935 -3.628 746 HA SER 100 HA SER 100 -2.605 -26.687 -3.216 747 HB2 SER 100 1HB SER 100 -3.819 -27.035 -5.339 748 HB3 SER 100 2HB SER 100 -4.701 -25.960 -4.253 749 HG SER 100 HG SER 100 -4.203 -25.434 -6.681 750 H SER 101 H SER 101 -1.621 -24.398 -5.761 751 HA SER 101 HA SER 101 0.637 -26.194 -6.367 752 HB2 SER 101 1HB SER 101 -1.071 -25.935 -8.198 753 HB3 SER 101 2HB SER 101 -0.642 -24.226 -8.275 754 HG SER 101 HG SER 101 0.653 -25.145 -9.754 755 H GLY 102 H GLY 102 2.449 -25.403 -5.526 756 HA2 GLY 102 1HA GLY 102 3.668 -23.054 -6.317 757 HA3 GLY 102 2HA GLY 102 2.790 -22.653 -4.848 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -17.062 -23.867 28.439 2 HA2 GLY 1 1HA GLY 1 -15.052 -25.096 26.951 3 HA3 GLY 1 2HA GLY 1 -16.561 -25.884 26.518 4 H SER 2 H SER 2 -15.298 -24.681 24.522 5 HA SER 2 HA SER 2 -17.162 -22.777 23.591 6 HB2 SER 2 1HB SER 2 -15.746 -21.398 25.221 7 HB3 SER 2 2HB SER 2 -14.430 -21.583 24.061 8 HG SER 2 HG SER 2 -15.303 -19.912 23.136 9 H SER 3 H SER 3 -16.443 -21.819 21.454 10 HA SER 3 HA SER 3 -14.233 -22.925 20.068 11 HB2 SER 3 1HB SER 3 -15.434 -24.412 18.528 12 HB3 SER 3 2HB SER 3 -15.594 -24.976 20.191 13 HG SER 3 HG SER 3 -17.658 -24.877 19.866 14 H GLY 4 H GLY 4 -14.682 -22.671 17.550 15 HA2 GLY 4 1HA GLY 4 -16.556 -20.907 16.542 16 HA3 GLY 4 2HA GLY 4 -15.256 -19.905 17.167 17 H SER 5 H SER 5 -15.983 -19.946 14.469 18 HA SER 5 HA SER 5 -13.459 -20.438 13.261 19 HB2 SER 5 1HB SER 5 -14.542 -22.763 13.391 20 HB3 SER 5 2HB SER 5 -15.670 -22.174 12.170 21 HG SER 5 HG SER 5 -13.979 -23.146 11.107 22 H SER 6 H SER 6 -13.369 -19.720 11.049 23 HA SER 6 HA SER 6 -15.589 -18.722 9.636 24 HB2 SER 6 1HB SER 6 -14.218 -16.831 11.498 25 HB3 SER 6 2HB SER 6 -14.750 -16.225 9.930 26 HG SER 6 HG SER 6 -16.786 -17.535 10.764 27 H GLY 7 H GLY 7 -14.986 -17.626 7.664 28 HA2 GLY 7 1HA GLY 7 -12.391 -16.961 6.902 29 HA3 GLY 7 2HA GLY 7 -12.611 -18.663 6.525 30 H GLU 8 H GLU 8 -12.846 -15.605 5.308 31 HA GLU 8 HA GLU 8 -14.038 -16.484 2.884 32 HB2 GLU 8 1HB GLU 8 -16.042 -15.114 2.894 33 HB3 GLU 8 2HB GLU 8 -16.084 -16.243 4.240 34 HG2 GLU 8 1HG GLU 8 -16.814 -14.298 5.218 35 HG3 GLU 8 2HG GLU 8 -15.094 -14.276 5.599 36 HA PRO 9 HA PRO 9 -11.609 -13.098 1.472 37 HB2 PRO 9 1HB PRO 9 -12.664 -12.814 -1.013 38 HB3 PRO 9 2HB PRO 9 -11.598 -14.153 -0.570 39 HG2 PRO 9 1HG PRO 9 -14.585 -14.095 -0.763 40 HG3 PRO 9 2HG PRO 9 -13.452 -15.342 -1.316 41 HD2 PRO 9 1HD PRO 9 -14.849 -15.562 0.994 42 HD3 PRO 9 2HD PRO 9 -13.222 -16.245 0.793 43 H GLU 10 H GLU 10 -11.776 -10.877 0.715 44 HA GLU 10 HA GLU 10 -14.396 -9.627 0.809 45 HB2 GLU 10 1HB GLU 10 -12.319 -9.305 2.925 46 HB3 GLU 10 2HB GLU 10 -13.248 -7.889 2.455 47 HG2 GLU 10 1HG GLU 10 -14.652 -10.429 3.145 48 HG3 GLU 10 2HG GLU 10 -14.050 -9.374 4.422 49 H LYS 11 H LYS 11 -14.504 -7.734 -0.327 50 HA LYS 11 HA LYS 11 -12.152 -6.273 -1.088 51 HB2 LYS 11 1HB LYS 11 -12.445 -6.602 -3.526 52 HB3 LYS 11 2HB LYS 11 -11.963 -8.075 -2.693 53 HG2 LYS 11 1HG LYS 11 -14.858 -7.555 -3.169 54 HG3 LYS 11 2HG LYS 11 -13.845 -8.122 -4.498 55 HD2 LYS 11 1HD LYS 11 -13.091 -9.981 -2.955 56 HD3 LYS 11 2HD LYS 11 -14.386 -9.479 -1.865 57 HE2 LYS 11 1HE LYS 11 -14.831 -10.217 -4.751 58 HE3 LYS 11 2HE LYS 11 -14.954 -11.371 -3.425 59 HZ1 LYS 11 1HZ LYS 11 -16.622 -8.962 -3.874 60 HZ2 LYS 11 2HZ LYS 11 -16.645 -9.851 -2.434 61 HZ3 LYS 11 3HZ LYS 11 -17.122 -10.579 -3.886 62 H LEU 12 H LEU 12 -12.636 -4.205 -1.641 63 HA LEU 12 HA LEU 12 -15.055 -3.349 -2.799 64 HB2 LEU 12 1HB LEU 12 -16.094 -2.232 -0.914 65 HB3 LEU 12 2HB LEU 12 -15.993 -3.969 -0.637 66 HG LEU 12 HG LEU 12 -13.877 -2.200 0.501 67 HD11 LEU 12 1HD1 LEU 12 -15.569 -0.964 1.400 68 HD12 LEU 12 2HD1 LEU 12 -15.491 -2.266 2.587 69 HD13 LEU 12 3HD1 LEU 12 -16.730 -2.292 1.331 70 HD21 LEU 12 1HD2 LEU 12 -13.860 -3.908 2.233 71 HD22 LEU 12 2HD2 LEU 12 -13.677 -4.639 0.639 72 HD23 LEU 12 3HD2 LEU 12 -15.231 -4.715 1.473 73 H GLY 13 H GLY 13 -14.755 -1.373 -3.651 74 HA2 GLY 13 1HA GLY 13 -13.168 0.645 -2.374 75 HA3 GLY 13 2HA GLY 13 -12.329 -0.100 -3.727 76 H GLN 14 H GLN 14 -15.230 1.684 -2.803 77 HA GLN 14 HA GLN 14 -15.132 3.226 -5.210 78 HB2 GLN 14 1HB GLN 14 -17.510 2.573 -5.878 79 HB3 GLN 14 2HB GLN 14 -16.228 1.436 -6.273 80 HG2 GLN 14 1HG GLN 14 -16.821 0.029 -4.430 81 HG3 GLN 14 2HG GLN 14 -17.986 1.214 -3.845 82 HE21 GLN 14 1HE2 GLN 14 -20.019 1.055 -4.509 83 HE22 GLN 14 2HE2 GLN 14 -20.580 0.039 -5.790 84 H ALA 15 H ALA 15 -15.997 5.185 -4.865 85 HA ALA 15 HA ALA 15 -18.216 5.627 -3.112 86 HB1 ALA 15 1HB ALA 15 -16.965 7.098 -1.524 87 HB2 ALA 15 2HB ALA 15 -16.602 5.378 -1.372 88 HB3 ALA 15 3HB ALA 15 -15.467 6.450 -2.194 89 H LEU 16 H LEU 16 -18.904 7.856 -3.082 90 HA LEU 16 HA LEU 16 -17.774 9.417 -5.312 91 HB2 LEU 16 1HB LEU 16 -20.617 9.229 -4.334 92 HB3 LEU 16 2HB LEU 16 -20.058 10.395 -5.531 93 HG LEU 16 HG LEU 16 -19.912 7.407 -5.900 94 HD11 LEU 16 1HD1 LEU 16 -21.985 7.357 -6.761 95 HD12 LEU 16 2HD1 LEU 16 -21.847 8.969 -7.463 96 HD13 LEU 16 3HD1 LEU 16 -22.235 8.782 -5.753 97 HD21 LEU 16 1HD2 LEU 16 -20.020 8.876 -8.317 98 HD22 LEU 16 2HD2 LEU 16 -18.697 7.894 -7.689 99 HD23 LEU 16 3HD2 LEU 16 -18.784 9.612 -7.298 100 H THR 17 H THR 17 -16.321 10.346 -3.700 101 HA THR 17 HA THR 17 -17.637 12.513 -2.202 102 HB THR 17 HB THR 17 -15.710 12.332 -0.559 103 HG1 THR 17 1HG THR 17 -15.443 9.786 -1.820 104 HG21 THR 17 1HG2 THR 17 -17.375 11.467 0.650 105 HG22 THR 17 2HG2 THR 17 -16.870 9.870 0.102 106 HG23 THR 17 3HG2 THR 17 -18.112 10.754 -0.783 107 H GLU 18 H GLU 18 -16.419 14.455 -1.969 108 HA GLU 18 HA GLU 18 -14.401 14.791 -4.085 109 HB2 GLU 18 1HB GLU 18 -16.240 16.811 -2.792 110 HB3 GLU 18 2HB GLU 18 -14.992 17.215 -3.962 111 HG2 GLU 18 1HG GLU 18 -16.113 16.170 -5.707 112 HG3 GLU 18 2HG GLU 18 -17.119 15.217 -4.618 113 H VAL 19 H VAL 19 -12.515 14.338 -3.035 114 HA VAL 19 HA VAL 19 -11.923 15.305 -0.409 115 HB VAL 19 HB VAL 19 -9.930 14.300 -2.437 116 HG11 VAL 19 1HG1 VAL 19 -9.942 14.694 0.523 117 HG12 VAL 19 2HG1 VAL 19 -8.933 13.434 -0.191 118 HG13 VAL 19 3HG1 VAL 19 -8.707 15.119 -0.661 119 HG21 VAL 19 1HG2 VAL 19 -11.789 12.772 -0.633 120 HG22 VAL 19 2HG2 VAL 19 -11.580 12.612 -2.378 121 HG23 VAL 19 3HG2 VAL 19 -10.306 12.073 -1.284 122 H TYR 20 H TYR 20 -10.302 16.831 0.166 123 HA TYR 20 HA TYR 20 -9.454 18.688 -1.933 124 HB2 TYR 20 1HB TYR 20 -10.123 20.626 -0.550 125 HB3 TYR 20 2HB TYR 20 -11.504 19.658 -1.052 126 HD1 TYR 20 2HD TYR 20 -12.210 17.785 0.692 127 HD2 TYR 20 1HD TYR 20 -10.002 21.291 1.658 128 HE1 TYR 20 2HE TYR 20 -12.926 17.583 3.035 129 HE2 TYR 20 1HE TYR 20 -10.711 21.099 4.005 130 HH TYR 20 HH TYR 20 -11.488 19.100 5.534 131 H ALA 21 H ALA 21 -7.482 19.603 -1.598 132 HA ALA 21 HA ALA 21 -6.218 19.452 1.014 133 HB1 ALA 21 1HB ALA 21 -4.380 18.123 0.389 134 HB2 ALA 21 2HB ALA 21 -5.802 17.259 -0.196 135 HB3 ALA 21 3HB ALA 21 -4.811 18.188 -1.320 136 H LYS 22 H LYS 22 -5.027 21.212 1.360 137 HA LYS 22 HA LYS 22 -4.439 22.960 -0.915 138 HB2 LYS 22 1HB LYS 22 -4.656 23.411 2.049 139 HB3 LYS 22 2HB LYS 22 -3.872 24.594 1.009 140 HG2 LYS 22 1HG LYS 22 -6.014 25.406 1.101 141 HG3 LYS 22 2HG LYS 22 -6.072 24.436 -0.372 142 HD2 LYS 22 1HD LYS 22 -7.984 23.726 0.685 143 HD3 LYS 22 2HD LYS 22 -6.821 22.539 1.281 144 HE2 LYS 22 1HE LYS 22 -7.864 23.169 3.233 145 HE3 LYS 22 2HE LYS 22 -6.486 24.268 3.210 146 HZ1 LYS 22 1HZ LYS 22 -7.800 26.044 2.913 147 HZ2 LYS 22 2HZ LYS 22 -9.012 25.052 3.551 148 HZ3 LYS 22 3HZ LYS 22 -8.866 25.238 1.875 149 H ALA 23 H ALA 23 -2.839 20.639 -0.568 150 HA ALA 23 HA ALA 23 -0.649 20.020 -0.652 151 HB1 ALA 23 1HB ALA 23 0.207 22.879 -0.453 152 HB2 ALA 23 2HB ALA 23 0.918 21.557 -1.381 153 HB3 ALA 23 3HB ALA 23 -0.598 22.289 -1.908 154 H ASN 24 H ASN 24 -1.921 20.080 1.857 155 HA ASN 24 HA ASN 24 -0.693 21.346 3.948 156 HB2 ASN 24 1HB ASN 24 -1.767 18.532 3.764 157 HB3 ASN 24 2HB ASN 24 -1.220 19.242 5.280 158 HD21 ASN 24 1HD2 ASN 24 -2.190 21.505 5.655 159 HD22 ASN 24 2HD2 ASN 24 -3.893 21.629 5.393 160 H SER 25 H SER 25 1.199 21.220 5.020 161 HA SER 25 HA SER 25 3.435 20.031 3.793 162 HB2 SER 25 1HB SER 25 3.198 20.972 6.661 163 HB3 SER 25 2HB SER 25 4.689 20.767 5.741 164 HG SER 25 HG SER 25 2.734 22.428 4.656 165 H PHE 26 H PHE 26 1.780 19.183 6.835 166 HA PHE 26 HA PHE 26 3.108 16.570 6.775 167 HB2 PHE 26 1HB PHE 26 3.055 18.135 8.848 168 HB3 PHE 26 2HB PHE 26 1.400 17.565 9.038 169 HD1 PHE 26 2HD PHE 26 4.522 15.800 8.027 170 HD2 PHE 26 1HD PHE 26 1.345 16.136 10.839 171 HE1 PHE 26 2HE PHE 26 5.350 13.800 9.195 172 HE2 PHE 26 1HE PHE 26 2.168 14.137 12.014 173 HZ PHE 26 HZ PHE 26 4.172 12.964 11.191 174 H THR 27 H THR 27 2.043 14.920 5.931 175 HA THR 27 HA THR 27 -0.883 14.816 6.236 176 HB THR 27 HB THR 27 0.735 14.256 3.756 177 HG1 THR 27 1HG THR 27 -0.074 16.160 3.326 178 HG21 THR 27 1HG2 THR 27 -1.276 13.315 2.743 179 HG22 THR 27 2HG2 THR 27 -2.137 13.474 4.274 180 HG23 THR 27 3HG2 THR 27 -0.779 12.358 4.136 181 H VAL 28 H VAL 28 -1.627 12.983 7.089 182 HA VAL 28 HA VAL 28 0.128 10.613 7.057 183 HB VAL 28 HB VAL 28 -1.729 11.399 9.307 184 HG11 VAL 28 1HG1 VAL 28 -0.928 9.541 10.480 185 HG12 VAL 28 2HG1 VAL 28 -1.196 8.935 8.844 186 HG13 VAL 28 3HG1 VAL 28 0.438 9.325 9.385 187 HG21 VAL 28 1HG2 VAL 28 0.645 12.611 8.726 188 HG22 VAL 28 2HG2 VAL 28 -0.066 12.499 10.337 189 HG23 VAL 28 3HG2 VAL 28 1.151 11.330 9.828 190 H SER 29 H SER 29 -0.769 9.190 5.715 191 HA SER 29 HA SER 29 -3.666 8.700 5.947 192 HB2 SER 29 1HB SER 29 -1.951 9.002 3.512 193 HB3 SER 29 2HB SER 29 -3.335 7.911 3.451 194 HG SER 29 HG SER 29 -4.558 9.596 3.266 195 H SER 30 H SER 30 -4.341 6.513 5.382 196 HA SER 30 HA SER 30 -2.215 4.527 5.864 197 HB2 SER 30 1HB SER 30 -3.786 4.885 7.806 198 HB3 SER 30 2HB SER 30 -5.086 4.275 6.782 199 HG SER 30 HG SER 30 -3.082 2.920 8.074 200 H VAL 31 H VAL 31 -2.510 2.451 4.903 201 HA VAL 31 HA VAL 31 -4.343 2.470 2.594 202 HB VAL 31 HB VAL 31 -1.607 1.196 2.749 203 HG11 VAL 31 1HG1 VAL 31 -3.665 0.267 1.290 204 HG12 VAL 31 2HG1 VAL 31 -3.018 1.469 0.172 205 HG13 VAL 31 3HG1 VAL 31 -1.983 0.172 0.771 206 HG21 VAL 31 1HG2 VAL 31 -1.766 3.041 0.639 207 HG22 VAL 31 2HG2 VAL 31 -2.450 3.847 2.050 208 HG23 VAL 31 3HG2 VAL 31 -0.820 3.177 2.122 209 H ALA 32 H ALA 32 -5.912 1.032 2.833 210 HA ALA 32 HA ALA 32 -6.134 -0.910 4.767 211 HB1 ALA 32 1HB ALA 32 -7.866 -1.940 3.329 212 HB2 ALA 32 2HB ALA 32 -8.041 -0.192 3.487 213 HB3 ALA 32 3HB ALA 32 -7.359 -0.879 2.013 214 H ALA 33 H ALA 33 -4.547 -2.356 5.135 215 HA ALA 33 HA ALA 33 -3.997 -4.301 3.016 216 HB1 ALA 33 1HB ALA 33 -1.905 -2.800 4.573 217 HB2 ALA 33 2HB ALA 33 -1.574 -4.295 3.695 218 HB3 ALA 33 3HB ALA 33 -2.121 -2.862 2.823 219 HA PRO 34 HA PRO 34 -4.676 -7.188 6.272 220 HB2 PRO 34 1HB PRO 34 -3.460 -9.355 5.177 221 HB3 PRO 34 2HB PRO 34 -5.021 -8.743 4.616 222 HG2 PRO 34 1HG PRO 34 -2.292 -8.314 3.462 223 HG3 PRO 34 2HG PRO 34 -3.816 -8.666 2.628 224 HD2 PRO 34 1HD PRO 34 -2.784 -6.168 2.783 225 HD3 PRO 34 2HD PRO 34 -4.531 -6.478 2.745 226 H SER 35 H SER 35 -3.350 -8.952 7.479 227 HA SER 35 HA SER 35 -0.640 -7.913 7.996 228 HB2 SER 35 1HB SER 35 -0.926 -8.230 10.336 229 HB3 SER 35 2HB SER 35 -2.384 -7.406 9.784 230 HG SER 35 HG SER 35 -2.831 -9.190 11.171 231 H TRP 36 H TRP 36 -2.649 -10.623 7.380 232 HA TRP 36 HA TRP 36 -1.070 -12.700 8.416 233 HB2 TRP 36 1HB TRP 36 -2.272 -14.149 6.818 234 HB3 TRP 36 2HB TRP 36 -3.364 -13.068 7.679 235 HD1 TRP 36 HD TRP 36 -4.635 -11.220 6.261 236 HE1 TRP 36 1HE TRP 36 -4.987 -10.901 3.732 237 HE3 TRP 36 3HE TRP 36 -1.097 -14.479 4.534 238 HZ2 TRP 36 2HZ TRP 36 -3.907 -11.900 1.322 239 HZ3 TRP 36 3HZ TRP 36 -0.819 -14.740 2.102 240 HH2 TRP 36 HH TRP 36 -2.197 -13.476 0.531 241 H LEU 37 H LEU 37 -0.479 -10.559 5.859 242 HA LEU 37 HA LEU 37 1.590 -12.346 4.762 243 HB2 LEU 37 1HB LEU 37 1.468 -10.799 2.753 244 HB3 LEU 37 2HB LEU 37 0.117 -11.902 3.006 245 HG LEU 37 HG LEU 37 -0.995 -9.861 4.171 246 HD11 LEU 37 1HD1 LEU 37 1.182 -8.563 2.549 247 HD12 LEU 37 2HD1 LEU 37 0.846 -8.363 4.268 248 HD13 LEU 37 3HD1 LEU 37 -0.279 -7.723 3.070 249 HD21 LEU 37 1HD2 LEU 37 -0.755 -10.627 1.350 250 HD22 LEU 37 2HD2 LEU 37 -1.360 -8.992 1.620 251 HD23 LEU 37 3HD2 LEU 37 -2.190 -10.371 2.342 252 H HIS 38 H HIS 38 1.770 -10.582 7.110 253 HA HIS 38 HA HIS 38 3.260 -8.260 6.434 254 HB2 HIS 38 1HB HIS 38 2.645 -9.760 8.930 255 HB3 HIS 38 2HB HIS 38 4.035 -8.678 8.960 256 HD2 HIS 38 2HD HIS 38 1.688 -6.891 6.756 257 HE1 HIS 38 1HE HIS 38 0.515 -5.749 10.670 258 HE2 HIS 38 2HE HIS 38 0.250 -5.304 8.205 259 H ARG 39 H ARG 39 4.130 -11.580 7.222 260 HA ARG 39 HA ARG 39 6.926 -11.128 7.424 261 HB2 ARG 39 1HB ARG 39 7.155 -13.494 7.484 262 HB3 ARG 39 2HB ARG 39 5.661 -13.117 8.331 263 HG2 ARG 39 1HG ARG 39 4.533 -13.561 6.048 264 HG3 ARG 39 2HG ARG 39 6.044 -14.382 5.653 265 HD2 ARG 39 1HD ARG 39 4.528 -16.019 6.496 266 HD3 ARG 39 2HD ARG 39 5.757 -15.739 7.729 267 HE ARG 39 HE ARG 39 3.424 -14.119 8.093 268 HH11 ARG 39 1HH1 ARG 39 4.809 -17.262 8.659 269 HH12 ARG 39 2HH1 ARG 39 3.804 -17.603 10.029 270 HH21 ARG 39 1HH2 ARG 39 2.096 -14.555 9.895 271 HH22 ARG 39 2HH2 ARG 39 2.261 -16.061 10.730 272 H PHE 40 H PHE 40 4.777 -11.368 4.776 273 HA PHE 40 HA PHE 40 6.928 -12.001 2.895 274 HB2 PHE 40 1HB PHE 40 3.939 -11.751 2.522 275 HB3 PHE 40 2HB PHE 40 5.070 -12.070 1.211 276 HD1 PHE 40 2HD PHE 40 6.758 -14.092 1.804 277 HD2 PHE 40 1HD PHE 40 2.839 -13.561 3.375 278 HE1 PHE 40 2HE PHE 40 6.626 -16.503 2.276 279 HE2 PHE 40 1HE PHE 40 2.699 -15.971 3.852 280 HZ PHE 40 HZ PHE 40 4.593 -17.445 3.301 281 H ILE 41 H ILE 41 4.611 -9.454 3.677 282 HA ILE 41 HA ILE 41 5.271 -7.719 1.552 283 HB ILE 41 HB ILE 41 3.268 -7.633 3.213 284 HG12 ILE 41 1HG1 ILE 41 4.512 -4.973 2.555 285 HG13 ILE 41 2HG1 ILE 41 3.921 -6.041 1.287 286 HG21 ILE 41 1HG2 ILE 41 5.067 -5.689 4.627 287 HG22 ILE 41 2HG2 ILE 41 3.482 -6.282 5.120 288 HG23 ILE 41 3HG2 ILE 41 4.879 -7.357 5.168 289 HD11 ILE 41 1HD1 ILE 41 1.849 -5.896 3.141 290 HD12 ILE 41 2HD1 ILE 41 2.469 -4.251 2.995 291 HD13 ILE 41 3HD1 ILE 41 1.931 -5.123 1.559 292 H ILE 42 H ILE 42 6.776 -8.373 4.612 293 HA ILE 42 HA ILE 42 8.432 -5.995 4.529 294 HB ILE 42 HB ILE 42 8.530 -8.373 6.390 295 HG12 ILE 42 1HG1 ILE 42 7.537 -5.599 7.020 296 HG13 ILE 42 2HG1 ILE 42 6.465 -6.847 6.393 297 HG21 ILE 42 1HG2 ILE 42 9.676 -6.003 7.485 298 HG22 ILE 42 2HG2 ILE 42 10.434 -7.568 7.194 299 HG23 ILE 42 3HG2 ILE 42 10.435 -6.340 5.929 300 HD11 ILE 42 1HD1 ILE 42 6.944 -6.372 9.020 301 HD12 ILE 42 2HD1 ILE 42 6.354 -7.897 8.360 302 HD13 ILE 42 3HD1 ILE 42 8.074 -7.685 8.686 303 H GLY 43 H GLY 43 8.928 -9.516 4.295 304 HA2 GLY 43 1HA GLY 43 10.388 -10.315 2.494 305 HA3 GLY 43 2HA GLY 43 11.431 -8.943 2.833 306 H LYS 44 H LYS 44 12.081 -11.789 2.778 307 HA LYS 44 HA LYS 44 12.301 -13.117 5.126 308 HB2 LYS 44 1HB LYS 44 13.225 -14.023 3.090 309 HB3 LYS 44 2HB LYS 44 14.439 -12.753 3.023 310 HG2 LYS 44 1HG LYS 44 15.571 -13.630 4.928 311 HG3 LYS 44 2HG LYS 44 14.267 -14.778 5.241 312 HD2 LYS 44 1HD LYS 44 14.764 -15.749 2.951 313 HD3 LYS 44 2HD LYS 44 16.233 -14.771 2.962 314 HE2 LYS 44 1HE LYS 44 16.903 -16.872 3.758 315 HE3 LYS 44 2HE LYS 44 16.749 -15.872 5.201 316 HZ1 LYS 44 1HZ LYS 44 15.757 -18.053 5.517 317 HZ2 LYS 44 2HZ LYS 44 14.712 -17.794 4.213 318 HZ3 LYS 44 3HZ LYS 44 14.579 -16.843 5.605 319 H LYS 45 H LYS 45 14.296 -10.379 4.110 320 HA LYS 45 HA LYS 45 15.321 -10.202 6.868 321 HB2 LYS 45 1HB LYS 45 16.654 -9.596 4.239 322 HB3 LYS 45 2HB LYS 45 17.238 -8.898 5.744 323 HG2 LYS 45 1HG LYS 45 16.867 -11.855 5.459 324 HG3 LYS 45 2HG LYS 45 18.329 -11.053 4.878 325 HD2 LYS 45 1HD LYS 45 18.284 -9.987 7.294 326 HD3 LYS 45 2HD LYS 45 17.344 -11.435 7.662 327 HE2 LYS 45 1HE LYS 45 19.507 -12.128 8.099 328 HE3 LYS 45 2HE LYS 45 19.263 -12.683 6.443 329 HZ1 LYS 45 1HZ LYS 45 20.423 -10.721 5.650 330 HZ2 LYS 45 2HZ LYS 45 21.405 -11.601 6.708 331 HZ3 LYS 45 3HZ LYS 45 20.654 -10.180 7.236 332 H GLY 46 H GLY 46 14.543 -8.265 3.980 333 HA2 GLY 46 1HA GLY 46 12.792 -6.490 4.707 334 HA3 GLY 46 2HA GLY 46 14.115 -5.937 5.723 335 H GLN 47 H GLN 47 13.957 -7.060 2.345 336 HA GLN 47 HA GLN 47 15.589 -4.769 1.565 337 HB2 GLN 47 1HB GLN 47 16.314 -6.939 0.757 338 HB3 GLN 47 2HB GLN 47 14.735 -7.235 0.040 339 HG2 GLN 47 1HG GLN 47 15.211 -5.105 -1.333 340 HG3 GLN 47 2HG GLN 47 16.887 -5.362 -0.849 341 HE21 GLN 47 1HE2 GLN 47 16.736 -5.435 -3.371 342 HE22 GLN 47 2HE2 GLN 47 16.659 -7.028 -4.037 343 H ASN 48 H ASN 48 12.417 -6.183 0.976 344 HA ASN 48 HA ASN 48 11.601 -4.510 -1.119 345 HB2 ASN 48 1HB ASN 48 9.913 -5.804 1.035 346 HB3 ASN 48 2HB ASN 48 9.305 -5.144 -0.480 347 HD21 ASN 48 1HD2 ASN 48 8.941 -7.791 0.374 348 HD22 ASN 48 2HD2 ASN 48 9.764 -8.832 -0.733 349 H LEU 49 H LEU 49 11.387 -4.125 2.389 350 HA LEU 49 HA LEU 49 10.003 -1.603 2.185 351 HB2 LEU 49 1HB LEU 49 11.089 -3.255 4.426 352 HB3 LEU 49 2HB LEU 49 10.634 -1.577 4.710 353 HG LEU 49 HG LEU 49 8.693 -3.521 3.505 354 HD11 LEU 49 1HD1 LEU 49 9.762 -4.263 5.765 355 HD12 LEU 49 2HD1 LEU 49 8.012 -4.325 5.549 356 HD13 LEU 49 3HD1 LEU 49 8.744 -2.992 6.441 357 HD21 LEU 49 1HD2 LEU 49 8.587 -0.826 3.895 358 HD22 LEU 49 2HD2 LEU 49 7.820 -1.432 5.364 359 HD23 LEU 49 3HD2 LEU 49 7.183 -1.888 3.782 360 H ALA 50 H ALA 50 13.236 -2.643 3.257 361 HA ALA 50 HA ALA 50 14.365 -0.230 3.887 362 HB1 ALA 50 1HB ALA 50 16.526 -1.209 3.309 363 HB2 ALA 50 2HB ALA 50 15.510 -2.367 4.169 364 HB3 ALA 50 3HB ALA 50 15.711 -2.497 2.422 365 H LYS 51 H LYS 51 14.096 -1.676 0.656 366 HA LYS 51 HA LYS 51 15.497 0.257 -0.778 367 HB2 LYS 51 1HB LYS 51 13.368 -1.720 -1.445 368 HB3 LYS 51 2HB LYS 51 13.730 -0.469 -2.627 369 HG2 LYS 51 1HG LYS 51 16.212 -1.263 -2.155 370 HG3 LYS 51 2HG LYS 51 15.378 -2.754 -1.712 371 HD2 LYS 51 1HD LYS 51 14.719 -1.367 -4.281 372 HD3 LYS 51 2HD LYS 51 16.151 -2.394 -4.169 373 HE2 LYS 51 1HE LYS 51 14.530 -3.872 -4.910 374 HE3 LYS 51 2HE LYS 51 14.519 -4.138 -3.168 375 HZ1 LYS 51 1HZ LYS 51 12.280 -3.952 -4.073 376 HZ2 LYS 51 2HZ LYS 51 12.621 -2.398 -4.648 377 HZ3 LYS 51 3HZ LYS 51 12.600 -2.698 -2.982 378 H ILE 52 H ILE 52 11.956 0.022 -0.386 379 HA ILE 52 HA ILE 52 11.260 2.404 -1.596 380 HB ILE 52 HB ILE 52 9.924 1.129 0.794 381 HG12 ILE 52 1HG1 ILE 52 9.202 0.861 -2.125 382 HG13 ILE 52 2HG1 ILE 52 10.235 -0.290 -1.286 383 HG21 ILE 52 1HG2 ILE 52 7.900 2.305 -0.386 384 HG22 ILE 52 2HG2 ILE 52 8.932 3.197 0.729 385 HG23 ILE 52 3HG2 ILE 52 9.156 3.372 -1.011 386 HD11 ILE 52 1HD1 ILE 52 8.368 -1.387 -0.808 387 HD12 ILE 52 2HD1 ILE 52 8.028 -0.099 0.349 388 HD13 ILE 52 3HD1 ILE 52 7.352 -0.026 -1.278 389 H THR 53 H THR 53 11.826 1.869 1.883 390 HA THR 53 HA THR 53 11.500 4.495 2.732 391 HB THR 53 HB THR 53 12.985 3.873 4.656 392 HG1 THR 53 1HG THR 53 13.647 1.637 4.695 393 HG21 THR 53 1HG2 THR 53 11.498 1.792 5.264 394 HG22 THR 53 2HG2 THR 53 10.633 2.250 3.797 395 HG23 THR 53 3HG2 THR 53 10.782 3.398 5.128 396 H GLN 54 H GLN 54 14.227 2.948 1.191 397 HA GLN 54 HA GLN 54 16.195 4.868 1.811 398 HB2 GLN 54 1HB GLN 54 16.496 2.523 0.814 399 HB3 GLN 54 2HB GLN 54 16.130 3.267 -0.737 400 HG2 GLN 54 1HG GLN 54 18.472 3.189 -0.583 401 HG3 GLN 54 2HG GLN 54 18.020 4.866 -0.285 402 HE21 GLN 54 1HE2 GLN 54 20.472 3.964 0.469 403 HE22 GLN 54 2HE2 GLN 54 20.567 3.876 2.191 404 H GLN 55 H GLN 55 13.958 4.566 -0.919 405 HA GLN 55 HA GLN 55 14.943 6.934 -2.212 406 HB2 GLN 55 1HB GLN 55 14.012 5.179 -3.577 407 HB3 GLN 55 2HB GLN 55 12.493 5.236 -2.693 408 HG2 GLN 55 1HG GLN 55 11.791 7.140 -3.739 409 HG3 GLN 55 2HG GLN 55 13.431 7.705 -4.053 410 HE21 GLN 55 1HE2 GLN 55 11.204 5.094 -4.933 411 HE22 GLN 55 2HE2 GLN 55 11.698 4.994 -6.586 412 H MET 56 H MET 56 12.338 6.133 -0.013 413 HA MET 56 HA MET 56 11.522 8.965 -0.017 414 HB2 MET 56 1HB MET 56 9.871 6.574 0.817 415 HB3 MET 56 2HB MET 56 9.327 8.245 0.746 416 HG2 MET 56 1HG MET 56 8.470 7.371 -1.197 417 HG3 MET 56 2HG MET 56 9.978 8.095 -1.751 418 HE1 MET 56 1HE MET 56 8.157 6.236 -3.133 419 HE2 MET 56 2HE MET 56 9.570 5.897 -4.131 420 HE3 MET 56 3HE MET 56 8.686 4.572 -3.375 421 HA PRO 57 HA PRO 57 13.516 8.150 4.075 422 HB2 PRO 57 1HB PRO 57 14.760 10.560 4.197 423 HB3 PRO 57 2HB PRO 57 15.458 9.159 3.375 424 HG2 PRO 57 1HG PRO 57 13.982 11.493 2.217 425 HG3 PRO 57 2HG PRO 57 15.450 10.692 1.627 426 HD2 PRO 57 1HD PRO 57 13.002 10.213 0.570 427 HD3 PRO 57 2HD PRO 57 14.269 8.971 0.650 428 H LYS 58 H LYS 58 11.684 10.851 2.780 429 HA LYS 58 HA LYS 58 11.075 12.010 5.326 430 HB2 LYS 58 1HB LYS 58 10.039 12.414 2.532 431 HB3 LYS 58 2HB LYS 58 9.269 13.199 3.904 432 HG2 LYS 58 1HG LYS 58 11.743 13.953 4.421 433 HG3 LYS 58 2HG LYS 58 11.933 13.684 2.687 434 HD2 LYS 58 1HD LYS 58 10.033 15.188 2.263 435 HD3 LYS 58 2HD LYS 58 9.887 15.477 3.999 436 HE2 LYS 58 1HE LYS 58 12.298 16.263 3.921 437 HE3 LYS 58 2HE LYS 58 12.145 16.247 2.165 438 HZ1 LYS 58 1HZ LYS 58 11.276 18.264 2.314 439 HZ2 LYS 58 2HZ LYS 58 11.269 18.207 4.004 440 HZ3 LYS 58 3HZ LYS 58 9.945 17.618 3.131 441 H VAL 59 H VAL 59 9.627 9.596 3.266 442 HA VAL 59 HA VAL 59 7.142 9.548 4.756 443 HB VAL 59 HB VAL 59 8.157 7.716 2.579 444 HG11 VAL 59 1HG1 VAL 59 6.435 6.799 4.240 445 HG12 VAL 59 2HG1 VAL 59 5.312 7.944 3.504 446 HG13 VAL 59 3HG1 VAL 59 6.060 6.685 2.521 447 HG21 VAL 59 1HG2 VAL 59 6.511 8.913 1.173 448 HG22 VAL 59 2HG2 VAL 59 6.210 10.020 2.513 449 HG23 VAL 59 3HG2 VAL 59 7.803 9.960 1.760 450 H HIS 60 H HIS 60 6.669 8.252 6.418 451 HA HIS 60 HA HIS 60 8.664 6.231 7.189 452 HB2 HIS 60 1HB HIS 60 8.187 8.178 8.755 453 HB3 HIS 60 2HB HIS 60 6.593 7.470 9.001 454 HD1 HIS 60 1HD HIS 60 10.060 5.887 8.992 455 HD2 HIS 60 2HD HIS 60 6.689 6.233 11.396 456 HE1 HIS 60 1HE HIS 60 10.541 4.492 11.028 457 H ILE 61 H ILE 61 8.080 4.225 6.707 458 HA ILE 61 HA ILE 61 5.281 3.533 6.382 459 HB ILE 61 HB ILE 61 7.775 1.872 6.005 460 HG12 ILE 61 1HG1 ILE 61 5.899 3.036 3.939 461 HG13 ILE 61 2HG1 ILE 61 7.419 3.784 4.415 462 HG21 ILE 61 1HG2 ILE 61 6.522 0.059 5.658 463 HG22 ILE 61 2HG2 ILE 61 5.224 0.945 6.458 464 HG23 ILE 61 3HG2 ILE 61 5.344 0.954 4.699 465 HD11 ILE 61 1HD1 ILE 61 7.048 1.969 2.378 466 HD12 ILE 61 2HD1 ILE 61 8.590 2.448 3.088 467 HD13 ILE 61 3HD1 ILE 61 7.759 1.007 3.673 468 H GLU 62 H GLU 62 4.066 2.635 7.905 469 HA GLU 62 HA GLU 62 5.405 1.257 10.140 470 HB2 GLU 62 1HB GLU 62 4.526 3.401 10.897 471 HB3 GLU 62 2HB GLU 62 2.943 3.005 10.244 472 HG2 GLU 62 1HG GLU 62 2.484 1.480 11.907 473 HG3 GLU 62 2HG GLU 62 4.187 1.222 12.284 474 H PHE 63 H PHE 63 4.504 -0.632 10.876 475 HA PHE 63 HA PHE 63 2.208 -1.658 9.339 476 HB2 PHE 63 1HB PHE 63 4.824 -2.901 10.027 477 HB3 PHE 63 2HB PHE 63 3.404 -3.942 10.037 478 HD1 PHE 63 2HD PHE 63 1.848 -3.623 7.893 479 HD2 PHE 63 1HD PHE 63 6.010 -2.748 8.077 480 HE1 PHE 63 2HE PHE 63 2.002 -3.855 5.449 481 HE2 PHE 63 1HE PHE 63 6.170 -2.979 5.633 482 HZ PHE 63 HZ PHE 63 4.165 -3.534 4.315 483 H THR 64 H THR 64 0.513 -2.382 10.465 484 HA THR 64 HA THR 64 0.864 -2.881 13.348 485 HB THR 64 HB THR 64 -1.634 -1.658 12.187 486 HG1 THR 64 1HG THR 64 -0.263 -0.017 11.871 487 HG21 THR 64 1HG2 THR 64 -1.953 -0.947 14.551 488 HG22 THR 64 2HG2 THR 64 -0.516 -1.874 14.982 489 HG23 THR 64 3HG2 THR 64 -1.937 -2.698 14.340 490 H GLU 65 H GLU 65 0.539 -4.981 13.676 491 HA GLU 65 HA GLU 65 -0.795 -6.722 11.939 492 HB2 GLU 65 1HB GLU 65 0.056 -6.910 14.810 493 HB3 GLU 65 2HB GLU 65 -0.894 -8.200 14.084 494 HG2 GLU 65 1HG GLU 65 0.860 -8.322 12.283 495 HG3 GLU 65 2HG GLU 65 1.837 -7.247 13.282 496 H GLY 66 H GLY 66 -1.891 -5.625 15.159 497 HA2 GLY 66 1HA GLY 66 -4.453 -6.665 15.073 498 HA3 GLY 66 2HA GLY 66 -4.002 -5.223 15.971 499 H GLU 67 H GLU 67 -3.799 -3.202 14.558 500 HA GLU 67 HA GLU 67 -6.250 -2.514 13.525 501 HB2 GLU 67 1HB GLU 67 -3.518 -1.395 12.895 502 HB3 GLU 67 2HB GLU 67 -5.011 -0.655 12.336 503 HG2 GLU 67 1HG GLU 67 -4.137 -1.039 15.187 504 HG3 GLU 67 2HG GLU 67 -4.258 0.481 14.303 505 H ASP 68 H ASP 68 -3.636 -4.186 11.961 506 HA ASP 68 HA ASP 68 -3.415 -5.147 9.910 507 HB2 ASP 68 1HB ASP 68 -6.366 -5.133 10.357 508 HB3 ASP 68 2HB ASP 68 -5.767 -5.568 8.759 509 H LYS 69 H LYS 69 -2.823 -2.550 9.813 510 HA LYS 69 HA LYS 69 -3.538 -1.842 7.108 511 HB2 LYS 69 1HB LYS 69 -4.591 0.200 7.502 512 HB3 LYS 69 2HB LYS 69 -5.307 -0.852 8.715 513 HG2 LYS 69 1HG LYS 69 -3.850 0.058 10.416 514 HG3 LYS 69 2HG LYS 69 -3.029 1.054 9.212 515 HD2 LYS 69 1HD LYS 69 -4.544 2.516 10.233 516 HD3 LYS 69 2HD LYS 69 -5.344 2.045 8.732 517 HE2 LYS 69 1HE LYS 69 -6.450 0.204 10.151 518 HE3 LYS 69 2HE LYS 69 -5.927 1.159 11.537 519 HZ1 LYS 69 1HZ LYS 69 -8.200 1.528 9.998 520 HZ2 LYS 69 2HZ LYS 69 -7.180 2.828 9.634 521 HZ3 LYS 69 3HZ LYS 69 -7.625 2.526 11.238 522 H ILE 70 H ILE 70 -2.254 -0.024 6.295 523 HA ILE 70 HA ILE 70 0.296 0.200 7.753 524 HB ILE 70 HB ILE 70 -0.251 0.363 4.789 525 HG12 ILE 70 1HG1 ILE 70 1.535 -1.556 6.283 526 HG13 ILE 70 2HG1 ILE 70 -0.157 -1.904 5.946 527 HG21 ILE 70 1HG2 ILE 70 1.638 1.494 4.513 528 HG22 ILE 70 2HG2 ILE 70 1.777 1.643 6.264 529 HG23 ILE 70 3HG2 ILE 70 2.531 0.283 5.433 530 HD11 ILE 70 1HD1 ILE 70 0.450 -2.719 3.986 531 HD12 ILE 70 2HD1 ILE 70 0.998 -1.111 3.512 532 HD13 ILE 70 3HD1 ILE 70 2.123 -2.238 4.270 533 H THR 71 H THR 71 0.648 2.107 8.654 534 HA THR 71 HA THR 71 -0.760 4.466 7.649 535 HB THR 71 HB THR 71 0.893 4.183 10.166 536 HG1 THR 71 1HG THR 71 -1.887 3.878 9.659 537 HG21 THR 71 1HG2 THR 71 -1.182 6.271 9.538 538 HG22 THR 71 2HG2 THR 71 0.527 6.497 9.165 539 HG23 THR 71 3HG2 THR 71 0.011 6.268 10.835 540 H LEU 72 H LEU 72 0.235 6.196 6.755 541 HA LEU 72 HA LEU 72 3.171 6.100 6.534 542 HB2 LEU 72 1HB LEU 72 1.118 6.905 4.488 543 HB3 LEU 72 2HB LEU 72 2.833 7.280 4.331 544 HG LEU 72 HG LEU 72 2.225 5.344 2.986 545 HD11 LEU 72 1HD1 LEU 72 4.470 5.483 3.983 546 HD12 LEU 72 2HD1 LEU 72 3.930 3.818 3.769 547 HD13 LEU 72 3HD1 LEU 72 3.894 4.557 5.370 548 HD21 LEU 72 1HD2 LEU 72 0.387 4.699 4.727 549 HD22 LEU 72 2HD2 LEU 72 1.685 3.747 5.449 550 HD23 LEU 72 3HD2 LEU 72 1.193 3.448 3.781 551 H GLU 73 H GLU 73 4.288 7.945 6.928 552 HA GLU 73 HA GLU 73 2.709 10.345 7.586 553 HB2 GLU 73 1HB GLU 73 3.521 9.702 9.658 554 HB3 GLU 73 2HB GLU 73 5.013 9.057 8.990 555 HG2 GLU 73 1HG GLU 73 4.541 11.978 8.779 556 HG3 GLU 73 2HG GLU 73 4.951 11.310 10.357 557 H GLY 74 H GLY 74 3.203 12.156 6.522 558 HA2 GLY 74 1HA GLY 74 5.500 13.332 5.865 559 HA3 GLY 74 2HA GLY 74 5.416 12.086 4.629 560 HA PRO 75 HA PRO 75 3.220 15.931 3.149 561 HB2 PRO 75 1HB PRO 75 4.604 16.143 0.822 562 HB3 PRO 75 2HB PRO 75 5.149 16.878 2.335 563 HG2 PRO 75 1HG PRO 75 6.019 14.318 1.050 564 HG3 PRO 75 2HG PRO 75 7.004 15.572 1.826 565 HD2 PRO 75 1HD PRO 75 6.332 13.265 3.077 566 HD3 PRO 75 2HD PRO 75 6.543 14.797 3.948 567 H THR 76 H THR 76 1.335 15.568 2.178 568 HA THR 76 HA THR 76 0.365 13.273 1.151 569 HB THR 76 HB THR 76 -1.088 15.175 1.469 570 HG1 THR 76 1HG THR 76 -2.353 14.390 -0.029 571 HG21 THR 76 1HG2 THR 76 -1.038 16.898 -0.523 572 HG22 THR 76 2HG2 THR 76 0.654 16.407 -0.615 573 HG23 THR 76 3HG2 THR 76 0.016 17.102 0.875 574 H GLU 77 H GLU 77 2.460 15.531 -0.505 575 HA GLU 77 HA GLU 77 2.120 14.653 -3.137 576 HB2 GLU 77 1HB GLU 77 3.336 16.683 -2.658 577 HB3 GLU 77 2HB GLU 77 4.554 15.791 -1.758 578 HG2 GLU 77 1HG GLU 77 5.649 16.083 -3.727 579 HG3 GLU 77 2HG GLU 77 4.862 14.538 -4.043 580 H ASP 78 H ASP 78 4.712 13.738 -0.861 581 HA ASP 78 HA ASP 78 5.598 11.577 -2.503 582 HB2 ASP 78 1HB ASP 78 6.226 12.371 0.342 583 HB3 ASP 78 2HB ASP 78 6.968 10.986 -0.454 584 H VAL 79 H VAL 79 3.571 11.857 0.370 585 HA VAL 79 HA VAL 79 3.323 9.217 1.117 586 HB VAL 79 HB VAL 79 1.148 11.315 1.096 587 HG11 VAL 79 1HG1 VAL 79 -0.068 9.994 2.614 588 HG12 VAL 79 2HG1 VAL 79 0.434 8.882 1.340 589 HG13 VAL 79 3HG1 VAL 79 1.291 8.903 2.882 590 HG21 VAL 79 1HG2 VAL 79 2.587 10.551 3.566 591 HG22 VAL 79 2HG2 VAL 79 3.477 11.519 2.391 592 HG23 VAL 79 3HG2 VAL 79 1.959 12.119 3.057 593 H SER 80 H SER 80 1.581 10.944 -1.436 594 HA SER 80 HA SER 80 -0.182 8.854 -2.116 595 HB2 SER 80 1HB SER 80 0.813 11.293 -3.563 596 HB3 SER 80 2HB SER 80 -0.212 10.120 -4.388 597 HG SER 80 HG SER 80 -1.670 11.434 -3.517 598 H VAL 81 H VAL 81 3.137 9.492 -2.929 599 HA VAL 81 HA VAL 81 3.222 7.629 -5.126 600 HB VAL 81 HB VAL 81 5.440 9.022 -3.622 601 HG11 VAL 81 1HG1 VAL 81 5.515 7.233 -6.041 602 HG12 VAL 81 2HG1 VAL 81 6.821 8.341 -5.615 603 HG13 VAL 81 3HG1 VAL 81 6.378 7.035 -4.517 604 HG21 VAL 81 1HG2 VAL 81 3.857 9.643 -6.065 605 HG22 VAL 81 2HG2 VAL 81 4.424 10.716 -4.785 606 HG23 VAL 81 3HG2 VAL 81 5.552 10.128 -6.008 607 H ALA 82 H ALA 82 4.509 7.697 -1.807 608 HA ALA 82 HA ALA 82 5.614 5.105 -1.863 609 HB1 ALA 82 1HB ALA 82 4.674 6.742 0.490 610 HB2 ALA 82 2HB ALA 82 5.677 5.293 0.588 611 HB3 ALA 82 3HB ALA 82 6.294 6.741 -0.209 612 H GLN 83 H GLN 83 2.557 6.276 -0.446 613 HA GLN 83 HA GLN 83 1.579 3.832 0.432 614 HB2 GLN 83 1HB GLN 83 -0.480 4.882 0.710 615 HB3 GLN 83 2HB GLN 83 0.655 6.224 0.776 616 HG2 GLN 83 1HG GLN 83 0.132 6.881 -1.448 617 HG3 GLN 83 2HG GLN 83 -0.806 5.414 -1.722 618 HE21 GLN 83 1HE2 GLN 83 -2.918 5.542 -1.451 619 HE22 GLN 83 2HE2 GLN 83 -3.757 6.784 -0.593 620 H GLU 84 H GLU 84 1.392 5.323 -2.757 621 HA GLU 84 HA GLU 84 -0.381 3.419 -3.885 622 HB2 GLU 84 1HB GLU 84 -0.115 5.581 -4.926 623 HB3 GLU 84 2HB GLU 84 1.605 5.302 -5.163 624 HG2 GLU 84 1HG GLU 84 1.276 3.875 -6.924 625 HG3 GLU 84 2HG GLU 84 -0.340 3.414 -6.390 626 H GLN 85 H GLN 85 3.149 3.716 -3.850 627 HA GLN 85 HA GLN 85 3.761 1.582 -5.536 628 HB2 GLN 85 1HB GLN 85 5.213 2.945 -3.301 629 HB3 GLN 85 2HB GLN 85 5.893 1.486 -4.010 630 HG2 GLN 85 1HG GLN 85 5.698 2.628 -6.249 631 HG3 GLN 85 2HG GLN 85 5.326 4.106 -5.363 632 HE21 GLN 85 1HE2 GLN 85 7.208 5.037 -6.279 633 HE22 GLN 85 2HE2 GLN 85 8.773 4.675 -5.644 634 H ILE 86 H ILE 86 2.697 1.621 -2.231 635 HA ILE 86 HA ILE 86 3.432 -1.129 -1.731 636 HB ILE 86 HB ILE 86 1.719 0.752 -0.104 637 HG12 ILE 86 1HG1 ILE 86 4.618 -0.066 0.190 638 HG13 ILE 86 2HG1 ILE 86 4.036 1.517 -0.311 639 HG21 ILE 86 1HG2 ILE 86 2.728 -1.146 1.602 640 HG22 ILE 86 2HG2 ILE 86 1.090 -1.115 0.948 641 HG23 ILE 86 3HG2 ILE 86 2.336 -2.084 0.161 642 HD11 ILE 86 1HD1 ILE 86 3.881 2.170 1.793 643 HD12 ILE 86 2HD1 ILE 86 2.853 0.794 2.193 644 HD13 ILE 86 3HD1 ILE 86 4.607 0.638 2.279 645 H GLU 87 H GLU 87 0.597 0.670 -2.710 646 HA GLU 87 HA GLU 87 -1.367 -1.265 -2.219 647 HB2 GLU 87 1HB GLU 87 -1.144 1.015 -4.158 648 HB3 GLU 87 2HB GLU 87 -2.518 -0.079 -4.233 649 HG2 GLU 87 1HG GLU 87 -2.667 0.456 -1.665 650 HG3 GLU 87 2HG GLU 87 -1.783 1.902 -2.147 651 H GLY 88 H GLY 88 0.985 -0.958 -4.777 652 HA2 GLY 88 1HA GLY 88 -0.266 -2.855 -6.532 653 HA3 GLY 88 2HA GLY 88 1.361 -2.209 -6.684 654 H MET 89 H MET 89 2.670 -2.991 -4.510 655 HA MET 89 HA MET 89 3.189 -5.716 -4.979 656 HB2 MET 89 1HB MET 89 4.698 -5.575 -3.059 657 HB3 MET 89 2HB MET 89 4.883 -4.175 -4.107 658 HG2 MET 89 1HG MET 89 3.197 -3.060 -2.483 659 HG3 MET 89 2HG MET 89 3.673 -4.355 -1.387 660 HE1 MET 89 1HE MET 89 6.773 -3.797 -0.043 661 HE2 MET 89 2HE MET 89 5.582 -2.668 0.601 662 HE3 MET 89 3HE MET 89 5.080 -4.276 0.078 663 H VAL 90 H VAL 90 0.938 -4.125 -2.916 664 HA VAL 90 HA VAL 90 0.581 -6.248 -1.039 665 HB VAL 90 HB VAL 90 -1.098 -3.846 -1.738 666 HG11 VAL 90 1HG1 VAL 90 -2.860 -4.893 -0.863 667 HG12 VAL 90 2HG1 VAL 90 -1.874 -6.249 -0.310 668 HG13 VAL 90 3HG1 VAL 90 -2.023 -4.801 0.687 669 HG21 VAL 90 1HG2 VAL 90 0.080 -4.354 0.941 670 HG22 VAL 90 2HG2 VAL 90 1.167 -3.880 -0.365 671 HG23 VAL 90 3HG2 VAL 90 -0.177 -2.832 0.089 672 H LYS 91 H LYS 91 -1.340 -5.108 -3.816 673 HA LYS 91 HA LYS 91 -3.237 -7.206 -3.688 674 HB2 LYS 91 1HB LYS 91 -3.820 -5.177 -4.824 675 HB3 LYS 91 2HB LYS 91 -2.451 -5.328 -5.916 676 HG2 LYS 91 1HG LYS 91 -3.480 -6.887 -7.219 677 HG3 LYS 91 2HG LYS 91 -4.458 -7.515 -5.890 678 HD2 LYS 91 1HD LYS 91 -4.931 -4.734 -6.867 679 HD3 LYS 91 2HD LYS 91 -5.556 -6.095 -7.801 680 HE2 LYS 91 1HE LYS 91 -7.333 -5.666 -6.409 681 HE3 LYS 91 2HE LYS 91 -6.464 -6.882 -5.476 682 HZ1 LYS 91 1HZ LYS 91 -7.226 -4.825 -4.248 683 HZ2 LYS 91 2HZ LYS 91 -6.013 -3.986 -5.075 684 HZ3 LYS 91 3HZ LYS 91 -5.606 -5.263 -4.044 685 H ASP 92 H ASP 92 -0.248 -6.764 -5.518 686 HA ASP 92 HA ASP 92 -0.456 -9.008 -7.179 687 HB2 ASP 92 1HB ASP 92 1.219 -7.149 -7.401 688 HB3 ASP 92 2HB ASP 92 2.103 -7.859 -6.052 689 H LEU 93 H LEU 93 0.858 -8.653 -3.916 690 HA LEU 93 HA LEU 93 1.924 -11.244 -3.671 691 HB2 LEU 93 1HB LEU 93 1.079 -9.115 -1.768 692 HB3 LEU 93 2HB LEU 93 1.403 -10.729 -1.139 693 HG LEU 93 HG LEU 93 3.404 -9.159 -2.754 694 HD11 LEU 93 1HD1 LEU 93 2.620 -8.917 0.063 695 HD12 LEU 93 2HD1 LEU 93 3.487 -7.790 -0.979 696 HD13 LEU 93 3HD1 LEU 93 4.350 -9.123 -0.212 697 HD21 LEU 93 1HD2 LEU 93 4.479 -11.019 -0.868 698 HD22 LEU 93 2HD2 LEU 93 4.649 -10.990 -2.623 699 HD23 LEU 93 3HD2 LEU 93 3.289 -11.835 -1.882 700 H ILE 94 H ILE 94 -1.284 -9.937 -2.979 701 HA ILE 94 HA ILE 94 -2.305 -12.330 -1.820 702 HB ILE 94 HB ILE 94 -3.776 -9.992 -3.041 703 HG12 ILE 94 1HG1 ILE 94 -3.393 -10.608 -0.115 704 HG13 ILE 94 2HG1 ILE 94 -2.252 -9.614 -1.016 705 HG21 ILE 94 1HG2 ILE 94 -4.885 -12.037 -1.135 706 HG22 ILE 94 2HG2 ILE 94 -5.759 -10.801 -2.040 707 HG23 ILE 94 3HG2 ILE 94 -5.044 -12.174 -2.886 708 HD11 ILE 94 1HD1 ILE 94 -3.523 -7.856 -0.611 709 HD12 ILE 94 2HD1 ILE 94 -4.821 -8.596 -1.549 710 HD13 ILE 94 3HD1 ILE 94 -4.720 -8.874 0.189 711 H ASN 95 H ASN 95 -2.480 -10.897 -5.057 712 HA ASN 95 HA ASN 95 -4.225 -12.699 -6.247 713 HB2 ASN 95 1HB ASN 95 -1.940 -11.070 -7.336 714 HB3 ASN 95 2HB ASN 95 -2.887 -12.126 -8.381 715 HD21 ASN 95 1HD2 ASN 95 -3.221 -9.937 -9.377 716 HD22 ASN 95 2HD2 ASN 95 -4.586 -9.031 -8.830 717 H ARG 96 H ARG 96 -0.697 -12.883 -5.911 718 HA ARG 96 HA ARG 96 -0.076 -15.079 -7.383 719 HB2 ARG 96 1HB ARG 96 0.933 -14.139 -4.719 720 HB3 ARG 96 2HB ARG 96 1.556 -15.623 -5.426 721 HG2 ARG 96 1HG ARG 96 2.012 -14.184 -7.511 722 HG3 ARG 96 2HG ARG 96 1.812 -12.813 -6.418 723 HD2 ARG 96 1HD ARG 96 3.494 -14.231 -4.940 724 HD3 ARG 96 2HD ARG 96 3.944 -14.880 -6.516 725 HE ARG 96 HE ARG 96 3.866 -12.044 -6.567 726 HH11 ARG 96 1HH1 ARG 96 5.784 -14.737 -5.479 727 HH12 ARG 96 2HH1 ARG 96 7.280 -13.865 -5.544 728 HH21 ARG 96 1HH2 ARG 96 5.829 -10.886 -6.657 729 HH22 ARG 96 2HH2 ARG 96 7.305 -11.675 -6.214 730 H SER 97 H SER 97 -0.986 -15.263 -3.936 731 HA SER 97 HA SER 97 -1.289 -18.079 -3.953 732 HB2 SER 97 1HB SER 97 -2.321 -17.775 -1.736 733 HB3 SER 97 2HB SER 97 -0.839 -16.832 -1.888 734 HG SER 97 HG SER 97 -3.269 -15.619 -2.558 735 H GLY 98 H GLY 98 -3.080 -19.369 -4.138 736 HA2 GLY 98 1HA GLY 98 -5.581 -18.015 -4.944 737 HA3 GLY 98 2HA GLY 98 -4.970 -19.430 -5.789 738 HA PRO 99 HA PRO 99 -8.040 -20.931 -2.695 739 HB2 PRO 99 1HB PRO 99 -9.137 -22.777 -4.356 740 HB3 PRO 99 2HB PRO 99 -9.652 -21.087 -4.324 741 HG2 PRO 99 1HG PRO 99 -7.789 -22.464 -6.221 742 HG3 PRO 99 2HG PRO 99 -9.075 -21.293 -6.568 743 HD2 PRO 99 1HD PRO 99 -6.460 -20.597 -6.463 744 HD3 PRO 99 2HD PRO 99 -7.763 -19.490 -5.985 745 H SER 100 H SER 100 -5.526 -22.342 -4.581 746 HA SER 100 HA SER 100 -5.501 -24.989 -4.030 747 HB2 SER 100 1HB SER 100 -3.708 -23.584 -5.206 748 HB3 SER 100 2HB SER 100 -3.016 -23.334 -3.603 749 HG SER 100 HG SER 100 -2.166 -25.237 -3.761 750 H SER 101 H SER 101 -4.161 -22.517 -1.837 751 HA SER 101 HA SER 101 -3.363 -24.050 0.262 752 HB2 SER 101 1HB SER 101 -3.132 -21.601 0.205 753 HB3 SER 101 2HB SER 101 -4.867 -21.428 0.471 754 HG SER 101 HG SER 101 -3.329 -22.931 2.277 755 H GLY 102 H GLY 102 -4.263 -25.253 1.838 756 HA2 GLY 102 1HA GLY 102 -7.117 -25.036 2.393 757 HA3 GLY 102 2HA GLY 102 -6.568 -26.568 1.729 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -60.183 7.480 -2.488 2 HA2 GLY 1 1HA GLY 1 -58.326 7.902 -3.770 3 HA3 GLY 1 2HA GLY 1 -59.415 8.740 -4.864 4 H SER 2 H SER 2 -56.654 9.144 -3.276 5 HA SER 2 HA SER 2 -56.942 11.617 -1.948 6 HB2 SER 2 1HB SER 2 -54.506 11.746 -2.041 7 HB3 SER 2 2HB SER 2 -55.004 10.104 -1.635 8 HG SER 2 HG SER 2 -53.555 10.972 -3.733 9 H SER 3 H SER 3 -55.883 13.663 -2.662 10 HA SER 3 HA SER 3 -57.086 14.703 -4.925 11 HB2 SER 3 1HB SER 3 -54.704 15.599 -3.317 12 HB3 SER 3 2HB SER 3 -55.254 16.516 -4.719 13 HG SER 3 HG SER 3 -56.550 16.052 -2.269 14 H GLY 4 H GLY 4 -53.679 13.710 -4.553 15 HA2 GLY 4 1HA GLY 4 -52.535 12.467 -6.247 16 HA3 GLY 4 2HA GLY 4 -53.624 13.158 -7.441 17 H SER 5 H SER 5 -52.994 14.916 -8.544 18 HA SER 5 HA SER 5 -51.684 16.613 -9.306 19 HB2 SER 5 1HB SER 5 -51.269 16.830 -6.341 20 HB3 SER 5 2HB SER 5 -50.342 17.853 -7.438 21 HG SER 5 HG SER 5 -52.236 18.737 -8.193 22 H SER 6 H SER 6 -50.674 14.085 -9.642 23 HA SER 6 HA SER 6 -48.044 13.711 -8.699 24 HB2 SER 6 1HB SER 6 -49.711 12.074 -9.926 25 HB3 SER 6 2HB SER 6 -48.879 12.649 -11.370 26 HG SER 6 HG SER 6 -46.926 12.124 -9.869 27 H GLY 7 H GLY 7 -46.047 14.144 -9.610 28 HA2 GLY 7 1HA GLY 7 -45.140 14.932 -11.943 29 HA3 GLY 7 2HA GLY 7 -46.045 16.374 -11.510 30 H GLU 8 H GLU 8 -43.357 16.541 -12.001 31 HA GLU 8 HA GLU 8 -42.411 17.608 -9.508 32 HB2 GLU 8 1HB GLU 8 -40.430 16.282 -9.275 33 HB3 GLU 8 2HB GLU 8 -41.805 15.187 -9.348 34 HG2 GLU 8 1HG GLU 8 -41.229 15.114 -11.896 35 HG3 GLU 8 2HG GLU 8 -39.645 15.656 -11.341 36 HA PRO 9 HA PRO 9 -40.507 20.391 -12.334 37 HB2 PRO 9 1HB PRO 9 -38.679 21.516 -10.672 38 HB3 PRO 9 2HB PRO 9 -40.408 21.870 -10.578 39 HG2 PRO 9 1HG PRO 9 -38.767 19.995 -8.920 40 HG3 PRO 9 2HG PRO 9 -40.028 21.130 -8.407 41 HD2 PRO 9 1HD PRO 9 -40.490 18.479 -8.709 42 HD3 PRO 9 2HD PRO 9 -41.734 19.705 -9.019 43 H GLU 10 H GLU 10 -38.225 21.094 -13.010 44 HA GLU 10 HA GLU 10 -36.402 18.781 -12.946 45 HB2 GLU 10 1HB GLU 10 -37.332 20.428 -15.272 46 HB3 GLU 10 2HB GLU 10 -35.751 19.660 -15.316 47 HG2 GLU 10 1HG GLU 10 -37.046 18.078 -16.337 48 HG3 GLU 10 2HG GLU 10 -37.082 17.519 -14.665 49 H LYS 11 H LYS 11 -34.181 19.225 -13.006 50 HA LYS 11 HA LYS 11 -33.420 22.045 -12.663 51 HB2 LYS 11 1HB LYS 11 -32.788 19.714 -10.877 52 HB3 LYS 11 2HB LYS 11 -31.705 21.097 -10.959 53 HG2 LYS 11 1HG LYS 11 -33.691 22.539 -10.391 54 HG3 LYS 11 2HG LYS 11 -34.568 21.046 -10.048 55 HD2 LYS 11 1HD LYS 11 -33.182 20.510 -8.242 56 HD3 LYS 11 2HD LYS 11 -31.914 21.620 -8.769 57 HE2 LYS 11 1HE LYS 11 -33.114 23.503 -8.060 58 HE3 LYS 11 2HE LYS 11 -34.630 22.608 -7.962 59 HZ1 LYS 11 1HZ LYS 11 -34.175 22.454 -5.802 60 HZ2 LYS 11 2HZ LYS 11 -32.559 22.912 -6.000 61 HZ3 LYS 11 3HZ LYS 11 -33.014 21.298 -6.224 62 H LEU 12 H LEU 12 -31.866 22.623 -14.022 63 HA LEU 12 HA LEU 12 -30.021 20.549 -15.011 64 HB2 LEU 12 1HB LEU 12 -29.919 21.848 -17.128 65 HB3 LEU 12 2HB LEU 12 -31.487 21.112 -16.800 66 HG LEU 12 HG LEU 12 -32.020 23.504 -15.821 67 HD11 LEU 12 1HD1 LEU 12 -30.522 25.086 -16.212 68 HD12 LEU 12 2HD1 LEU 12 -30.598 24.753 -17.942 69 HD13 LEU 12 3HD1 LEU 12 -29.445 23.886 -16.928 70 HD21 LEU 12 1HD2 LEU 12 -31.919 23.188 -18.804 71 HD22 LEU 12 2HD2 LEU 12 -33.136 24.000 -17.820 72 HD23 LEU 12 3HD2 LEU 12 -33.018 22.239 -17.803 73 H GLY 13 H GLY 13 -28.020 21.650 -16.064 74 HA2 GLY 13 1HA GLY 13 -26.487 23.508 -15.995 75 HA3 GLY 13 2HA GLY 13 -27.203 23.984 -14.463 76 H GLN 14 H GLN 14 -24.668 22.341 -15.956 77 HA GLN 14 HA GLN 14 -23.569 21.605 -13.376 78 HB2 GLN 14 1HB GLN 14 -24.791 19.586 -13.980 79 HB3 GLN 14 2HB GLN 14 -24.006 19.555 -15.553 80 HG2 GLN 14 1HG GLN 14 -21.928 18.984 -14.627 81 HG3 GLN 14 2HG GLN 14 -22.449 19.406 -12.996 82 HE21 GLN 14 1HE2 GLN 14 -22.535 17.027 -15.511 83 HE22 GLN 14 2HE2 GLN 14 -23.208 15.748 -14.565 84 H ALA 15 H ALA 15 -21.479 22.104 -13.326 85 HA ALA 15 HA ALA 15 -19.863 21.896 -15.747 86 HB1 ALA 15 1HB ALA 15 -20.904 24.360 -14.890 87 HB2 ALA 15 2HB ALA 15 -19.193 24.367 -14.463 88 HB3 ALA 15 3HB ALA 15 -19.685 24.074 -16.132 89 H LEU 16 H LEU 16 -18.109 20.790 -15.212 90 HA LEU 16 HA LEU 16 -17.327 20.271 -12.554 91 HB2 LEU 16 1HB LEU 16 -15.925 19.889 -15.187 92 HB3 LEU 16 2HB LEU 16 -15.230 19.375 -13.651 93 HG LEU 16 HG LEU 16 -17.910 18.388 -14.584 94 HD11 LEU 16 1HD1 LEU 16 -15.443 16.770 -14.975 95 HD12 LEU 16 2HD1 LEU 16 -15.861 17.990 -16.178 96 HD13 LEU 16 3HD1 LEU 16 -16.993 16.688 -15.811 97 HD21 LEU 16 1HD2 LEU 16 -15.937 17.670 -12.466 98 HD22 LEU 16 2HD2 LEU 16 -16.965 16.410 -13.150 99 HD23 LEU 16 3HD2 LEU 16 -17.693 17.815 -12.370 100 H THR 17 H THR 17 -16.835 22.043 -11.350 101 HA THR 17 HA THR 17 -14.558 23.674 -12.271 102 HB THR 17 HB THR 17 -15.436 25.544 -10.955 103 HG1 THR 17 1HG THR 17 -16.720 24.844 -9.390 104 HG21 THR 17 1HG2 THR 17 -17.674 25.786 -12.288 105 HG22 THR 17 2HG2 THR 17 -17.132 24.309 -13.086 106 HG23 THR 17 3HG2 THR 17 -16.135 25.763 -13.147 107 H GLU 18 H GLU 18 -13.215 24.574 -10.531 108 HA GLU 18 HA GLU 18 -13.356 23.616 -7.875 109 HB2 GLU 18 1HB GLU 18 -11.361 22.125 -7.939 110 HB3 GLU 18 2HB GLU 18 -12.754 21.475 -8.792 111 HG2 GLU 18 1HG GLU 18 -11.757 22.282 -10.917 112 HG3 GLU 18 2HG GLU 18 -10.322 22.757 -10.011 113 H VAL 19 H VAL 19 -12.064 24.805 -6.576 114 HA VAL 19 HA VAL 19 -10.753 27.073 -7.604 115 HB VAL 19 HB VAL 19 -11.700 26.916 -5.309 116 HG11 VAL 19 1HG1 VAL 19 -10.823 25.620 -3.646 117 HG12 VAL 19 2HG1 VAL 19 -10.467 24.592 -5.035 118 HG13 VAL 19 3HG1 VAL 19 -9.206 25.616 -4.349 119 HG21 VAL 19 1HG2 VAL 19 -10.215 28.442 -4.396 120 HG22 VAL 19 2HG2 VAL 19 -8.802 27.621 -5.059 121 HG23 VAL 19 3HG2 VAL 19 -9.860 28.552 -6.120 122 H TYR 20 H TYR 20 -8.443 27.632 -7.091 123 HA TYR 20 HA TYR 20 -6.682 25.311 -7.525 124 HB2 TYR 20 1HB TYR 20 -5.250 26.875 -8.898 125 HB3 TYR 20 2HB TYR 20 -6.794 26.441 -9.622 126 HD1 TYR 20 2HD TYR 20 -8.723 28.108 -9.385 127 HD2 TYR 20 1HD TYR 20 -4.667 29.122 -8.594 128 HE1 TYR 20 2HE TYR 20 -9.274 30.490 -9.643 129 HE2 TYR 20 1HE TYR 20 -5.208 31.507 -8.848 130 HH TYR 20 HH TYR 20 -7.653 32.882 -8.537 131 H ALA 21 H ALA 21 -6.282 25.282 -5.259 132 HA ALA 21 HA ALA 21 -4.565 27.492 -4.330 133 HB1 ALA 21 1HB ALA 21 -5.835 25.713 -2.333 134 HB2 ALA 21 2HB ALA 21 -5.497 27.443 -2.262 135 HB3 ALA 21 3HB ALA 21 -6.884 26.852 -3.179 136 H LYS 22 H LYS 22 -3.202 26.598 -2.339 137 HA LYS 22 HA LYS 22 -2.193 23.915 -2.843 138 HB2 LYS 22 1HB LYS 22 -0.708 26.422 -3.444 139 HB3 LYS 22 2HB LYS 22 0.194 25.109 -2.697 140 HG2 LYS 22 1HG LYS 22 -1.497 24.484 -5.059 141 HG3 LYS 22 2HG LYS 22 0.016 25.357 -5.313 142 HD2 LYS 22 1HD LYS 22 0.676 23.145 -5.513 143 HD3 LYS 22 2HD LYS 22 1.046 23.498 -3.824 144 HE2 LYS 22 1HE LYS 22 -0.699 22.224 -3.036 145 HE3 LYS 22 2HE LYS 22 -1.637 22.400 -4.518 146 HZ1 LYS 22 1HZ LYS 22 0.857 20.805 -4.329 147 HZ2 LYS 22 2HZ LYS 22 -0.227 20.859 -5.626 148 HZ3 LYS 22 3HZ LYS 22 -0.694 20.148 -4.164 149 H ALA 23 H ALA 23 -2.163 22.994 -0.908 150 HA ALA 23 HA ALA 23 -1.336 24.618 1.411 151 HB1 ALA 23 1HB ALA 23 -3.106 22.197 1.588 152 HB2 ALA 23 2HB ALA 23 -2.841 23.460 2.792 153 HB3 ALA 23 3HB ALA 23 -3.751 23.817 1.324 154 H ASN 24 H ASN 24 0.718 24.109 1.846 155 HA ASN 24 HA ASN 24 1.624 21.346 1.535 156 HB2 ASN 24 1HB ASN 24 2.967 24.003 1.686 157 HB3 ASN 24 2HB ASN 24 3.866 22.598 2.250 158 HD21 ASN 24 1HD2 ASN 24 3.331 20.639 0.604 159 HD22 ASN 24 2HD2 ASN 24 3.724 21.032 -1.032 160 H SER 25 H SER 25 0.757 20.308 3.307 161 HA SER 25 HA SER 25 2.039 20.940 5.856 162 HB2 SER 25 1HB SER 25 -0.028 20.813 7.110 163 HB3 SER 25 2HB SER 25 -0.207 22.041 5.856 164 HG SER 25 HG SER 25 -1.451 19.573 6.128 165 H PHE 26 H PHE 26 2.618 19.175 6.999 166 HA PHE 26 HA PHE 26 3.037 16.741 5.975 167 HB2 PHE 26 1HB PHE 26 3.516 17.684 8.369 168 HB3 PHE 26 2HB PHE 26 2.035 16.835 8.799 169 HD1 PHE 26 1HD PHE 26 1.933 14.332 7.978 170 HD2 PHE 26 2HD PHE 26 5.512 16.564 8.543 171 HE1 PHE 26 1HE PHE 26 3.199 12.235 8.208 172 HE2 PHE 26 2HE PHE 26 6.785 14.472 8.772 173 HZ PHE 26 HZ PHE 26 5.629 12.304 8.604 174 H THR 27 H THR 27 1.964 14.899 5.497 175 HA THR 27 HA THR 27 -0.922 14.817 6.094 176 HB THR 27 HB THR 27 0.452 13.910 3.558 177 HG1 THR 27 1HG THR 27 -1.498 15.939 4.027 178 HG21 THR 27 1HG2 THR 27 -1.220 12.389 3.544 179 HG22 THR 27 2HG2 THR 27 -2.200 13.766 3.036 180 HG23 THR 27 3HG2 THR 27 -2.176 13.276 4.729 181 H VAL 28 H VAL 28 -1.659 13.014 7.036 182 HA VAL 28 HA VAL 28 0.092 10.643 7.059 183 HB VAL 28 HB VAL 28 -1.651 11.559 9.349 184 HG11 VAL 28 1HG1 VAL 28 -0.858 9.746 10.563 185 HG12 VAL 28 2HG1 VAL 28 -1.103 9.061 8.956 186 HG13 VAL 28 3HG1 VAL 28 0.520 9.502 9.491 187 HG21 VAL 28 1HG2 VAL 28 0.776 12.640 8.564 188 HG22 VAL 28 2HG2 VAL 28 0.030 12.782 10.156 189 HG23 VAL 28 3HG2 VAL 28 1.205 11.504 9.843 190 H SER 29 H SER 29 -0.849 9.062 5.959 191 HA SER 29 HA SER 29 -3.712 8.561 6.387 192 HB2 SER 29 1HB SER 29 -3.129 9.752 4.153 193 HB3 SER 29 2HB SER 29 -2.485 8.185 3.666 194 HG SER 29 HG SER 29 -4.632 8.305 3.046 195 H SER 30 H SER 30 -4.361 6.348 5.746 196 HA SER 30 HA SER 30 -2.137 4.447 6.110 197 HB2 SER 30 1HB SER 30 -4.988 4.027 7.026 198 HB3 SER 30 2HB SER 30 -3.583 3.029 7.404 199 HG SER 30 HG SER 30 -2.724 4.872 8.517 200 H VAL 31 H VAL 31 -2.359 2.378 5.095 201 HA VAL 31 HA VAL 31 -4.156 2.422 2.758 202 HB VAL 31 HB VAL 31 -1.399 1.205 2.971 203 HG11 VAL 31 1HG1 VAL 31 -3.612 0.704 1.151 204 HG12 VAL 31 2HG1 VAL 31 -2.134 1.190 0.317 205 HG13 VAL 31 3HG1 VAL 31 -2.122 -0.205 1.397 206 HG21 VAL 31 1HG2 VAL 31 -2.121 3.822 2.455 207 HG22 VAL 31 2HG2 VAL 31 -0.581 3.065 2.048 208 HG23 VAL 31 3HG2 VAL 31 -1.874 3.131 0.851 209 H ALA 32 H ALA 32 -5.717 0.964 2.912 210 HA ALA 32 HA ALA 32 -5.976 -1.018 4.805 211 HB1 ALA 32 1HB ALA 32 -7.617 -0.061 2.955 212 HB2 ALA 32 2HB ALA 32 -7.152 -1.551 2.133 213 HB3 ALA 32 3HB ALA 32 -7.892 -1.621 3.732 214 H ALA 33 H ALA 33 -4.388 -2.463 5.177 215 HA ALA 33 HA ALA 33 -3.768 -4.348 3.020 216 HB1 ALA 33 1HB ALA 33 -1.408 -4.016 4.566 217 HB2 ALA 33 2HB ALA 33 -1.651 -3.713 2.845 218 HB3 ALA 33 3HB ALA 33 -1.940 -2.426 4.017 219 HA PRO 34 HA PRO 34 -4.574 -7.327 6.166 220 HB2 PRO 34 1HB PRO 34 -3.358 -9.471 5.026 221 HB3 PRO 34 2HB PRO 34 -4.899 -8.821 4.451 222 HG2 PRO 34 1HG PRO 34 -2.139 -8.388 3.374 223 HG3 PRO 34 2HG PRO 34 -3.648 -8.693 2.494 224 HD2 PRO 34 1HD PRO 34 -2.590 -6.214 2.756 225 HD3 PRO 34 2HD PRO 34 -4.340 -6.501 2.668 226 H SER 35 H SER 35 -3.382 -8.995 7.492 227 HA SER 35 HA SER 35 -0.644 -8.060 8.051 228 HB2 SER 35 1HB SER 35 -1.028 -8.633 10.400 229 HB3 SER 35 2HB SER 35 -2.248 -7.489 9.841 230 HG SER 35 HG SER 35 -2.840 -10.198 9.599 231 H TRP 36 H TRP 36 -2.683 -10.747 7.374 232 HA TRP 36 HA TRP 36 -1.131 -12.852 8.386 233 HB2 TRP 36 1HB TRP 36 -2.323 -14.260 6.731 234 HB3 TRP 36 2HB TRP 36 -3.413 -13.207 7.628 235 HD1 TRP 36 HD TRP 36 -4.607 -11.232 6.276 236 HE1 TRP 36 1HE TRP 36 -4.990 -10.860 3.758 237 HE3 TRP 36 3HE TRP 36 -1.256 -14.624 4.434 238 HZ2 TRP 36 2HZ TRP 36 -4.003 -11.871 1.315 239 HZ3 TRP 36 3HZ TRP 36 -1.036 -14.860 1.994 240 HH2 TRP 36 HH TRP 36 -2.383 -13.511 0.469 241 H LEU 37 H LEU 37 -0.543 -10.704 5.812 242 HA LEU 37 HA LEU 37 1.564 -12.475 4.758 243 HB2 LEU 37 1HB LEU 37 1.432 -10.988 2.717 244 HB3 LEU 37 2HB LEU 37 0.072 -12.073 2.995 245 HG LEU 37 HG LEU 37 -1.034 -10.002 4.098 246 HD11 LEU 37 1HD1 LEU 37 1.405 -8.877 2.911 247 HD12 LEU 37 2HD1 LEU 37 0.381 -8.262 4.207 248 HD13 LEU 37 3HD1 LEU 37 -0.086 -8.015 2.525 249 HD21 LEU 37 1HD2 LEU 37 -0.986 -11.057 1.473 250 HD22 LEU 37 2HD2 LEU 37 -1.069 -9.300 1.340 251 HD23 LEU 37 3HD2 LEU 37 -2.284 -10.173 2.276 252 H HIS 38 H HIS 38 1.705 -10.680 7.080 253 HA HIS 38 HA HIS 38 3.155 -8.339 6.381 254 HB2 HIS 38 1HB HIS 38 2.573 -9.825 8.895 255 HB3 HIS 38 2HB HIS 38 3.927 -8.698 8.911 256 HD2 HIS 38 2HD HIS 38 1.631 -6.934 6.692 257 HE1 HIS 38 1HE HIS 38 0.234 -5.925 10.569 258 HE2 HIS 38 2HE HIS 38 0.084 -5.418 8.106 259 H ARG 39 H ARG 39 4.111 -11.602 7.357 260 HA ARG 39 HA ARG 39 6.889 -11.089 7.493 261 HB2 ARG 39 1HB ARG 39 7.155 -13.511 7.481 262 HB3 ARG 39 2HB ARG 39 5.833 -13.046 8.546 263 HG2 ARG 39 1HG ARG 39 4.223 -13.645 6.803 264 HG3 ARG 39 2HG ARG 39 5.554 -14.128 5.749 265 HD2 ARG 39 1HD ARG 39 5.149 -15.321 8.478 266 HD3 ARG 39 2HD ARG 39 4.359 -15.971 7.042 267 HE ARG 39 HE ARG 39 6.944 -15.900 6.300 268 HH11 ARG 39 1HH1 ARG 39 5.342 -17.152 9.127 269 HH12 ARG 39 2HH1 ARG 39 6.503 -18.411 9.387 270 HH21 ARG 39 1HH2 ARG 39 8.479 -17.554 6.633 271 HH22 ARG 39 2HH2 ARG 39 8.287 -18.638 7.968 272 H PHE 40 H PHE 40 4.783 -11.257 4.867 273 HA PHE 40 HA PHE 40 6.934 -11.981 3.003 274 HB2 PHE 40 1HB PHE 40 3.946 -11.789 2.570 275 HB3 PHE 40 2HB PHE 40 5.117 -12.211 1.325 276 HD1 PHE 40 2HD PHE 40 6.738 -14.207 2.037 277 HD2 PHE 40 1HD PHE 40 2.848 -13.503 3.614 278 HE1 PHE 40 2HE PHE 40 6.577 -16.574 2.689 279 HE2 PHE 40 1HE PHE 40 2.681 -15.869 4.269 280 HZ PHE 40 HZ PHE 40 4.547 -17.408 3.806 281 H ILE 41 H ILE 41 4.544 -9.482 3.711 282 HA ILE 41 HA ILE 41 5.105 -7.791 1.539 283 HB ILE 41 HB ILE 41 3.178 -7.688 3.288 284 HG12 ILE 41 1HG1 ILE 41 4.372 -5.049 2.451 285 HG13 ILE 41 2HG1 ILE 41 3.663 -6.162 1.286 286 HG21 ILE 41 1HG2 ILE 41 4.760 -7.359 5.196 287 HG22 ILE 41 2HG2 ILE 41 5.100 -5.750 4.559 288 HG23 ILE 41 3HG2 ILE 41 3.472 -6.158 5.097 289 HD11 ILE 41 1HD1 ILE 41 1.716 -5.195 1.687 290 HD12 ILE 41 2HD1 ILE 41 1.757 -5.911 3.299 291 HD13 ILE 41 3HD1 ILE 41 2.383 -4.283 3.041 292 H ILE 42 H ILE 42 6.504 -7.994 4.779 293 HA ILE 42 HA ILE 42 8.193 -5.713 4.454 294 HB ILE 42 HB ILE 42 8.375 -7.987 6.433 295 HG12 ILE 42 1HG1 ILE 42 7.299 -5.191 6.832 296 HG13 ILE 42 2HG1 ILE 42 6.282 -6.582 6.476 297 HG21 ILE 42 1HG2 ILE 42 9.868 -6.615 7.706 298 HG22 ILE 42 2HG2 ILE 42 10.503 -6.745 6.067 299 HG23 ILE 42 3HG2 ILE 42 9.675 -5.274 6.578 300 HD11 ILE 42 1HD1 ILE 42 6.814 -5.719 8.954 301 HD12 ILE 42 2HD1 ILE 42 6.449 -7.400 8.564 302 HD13 ILE 42 3HD1 ILE 42 8.124 -6.881 8.752 303 H GLY 43 H GLY 43 8.858 -9.220 4.532 304 HA2 GLY 43 1HA GLY 43 10.296 -10.296 2.965 305 HA3 GLY 43 2HA GLY 43 11.087 -8.753 2.679 306 H LYS 44 H LYS 44 12.781 -10.707 3.008 307 HA LYS 44 HA LYS 44 13.457 -11.412 5.656 308 HB2 LYS 44 1HB LYS 44 14.225 -12.578 3.562 309 HB3 LYS 44 2HB LYS 44 15.335 -11.241 3.295 310 HG2 LYS 44 1HG LYS 44 16.071 -11.849 5.767 311 HG3 LYS 44 2HG LYS 44 15.434 -13.427 5.295 312 HD2 LYS 44 1HD LYS 44 16.909 -13.462 3.360 313 HD3 LYS 44 2HD LYS 44 17.515 -11.856 3.772 314 HE2 LYS 44 1HE LYS 44 17.682 -14.005 5.824 315 HE3 LYS 44 2HE LYS 44 18.811 -14.051 4.470 316 HZ1 LYS 44 1HZ LYS 44 19.980 -12.761 5.904 317 HZ2 LYS 44 2HZ LYS 44 18.606 -12.120 6.654 318 HZ3 LYS 44 3HZ LYS 44 19.094 -11.536 5.143 319 H LYS 45 H LYS 45 14.508 -10.343 7.205 320 HA LYS 45 HA LYS 45 15.315 -8.492 8.304 321 HB2 LYS 45 1HB LYS 45 17.298 -9.188 6.170 322 HB3 LYS 45 2HB LYS 45 17.592 -7.791 7.196 323 HG2 LYS 45 1HG LYS 45 16.945 -10.434 8.425 324 HG3 LYS 45 2HG LYS 45 18.577 -10.096 7.845 325 HD2 LYS 45 1HD LYS 45 18.581 -8.041 9.253 326 HD3 LYS 45 2HD LYS 45 17.023 -8.544 9.913 327 HE2 LYS 45 1HE LYS 45 18.672 -9.252 11.459 328 HE3 LYS 45 2HE LYS 45 18.137 -10.696 10.600 329 HZ1 LYS 45 1HZ LYS 45 20.732 -9.468 10.673 330 HZ2 LYS 45 2HZ LYS 45 20.214 -9.814 9.101 331 HZ3 LYS 45 3HZ LYS 45 20.296 -11.048 10.255 332 H GLY 46 H GLY 46 13.331 -7.829 6.312 333 HA2 GLY 46 1HA GLY 46 12.424 -5.946 5.362 334 HA3 GLY 46 2HA GLY 46 13.623 -5.031 6.266 335 H GLN 47 H GLN 47 12.753 -6.369 3.208 336 HA GLN 47 HA GLN 47 15.072 -5.018 2.004 337 HB2 GLN 47 1HB GLN 47 15.127 -6.787 0.271 338 HB3 GLN 47 2HB GLN 47 15.492 -7.397 1.879 339 HG2 GLN 47 1HG GLN 47 13.418 -8.463 2.071 340 HG3 GLN 47 2HG GLN 47 12.732 -7.554 0.724 341 HE21 GLN 47 1HE2 GLN 47 12.165 -9.197 -0.586 342 HE22 GLN 47 2HE2 GLN 47 13.276 -10.326 -1.275 343 H ASN 48 H ASN 48 11.711 -5.956 1.779 344 HA ASN 48 HA ASN 48 11.288 -4.699 -0.774 345 HB2 ASN 48 1HB ASN 48 9.552 -6.044 1.258 346 HB3 ASN 48 2HB ASN 48 8.798 -5.016 0.042 347 HD21 ASN 48 1HD2 ASN 48 9.218 -8.063 0.680 348 HD22 ASN 48 2HD2 ASN 48 9.486 -8.725 -0.894 349 H LEU 49 H LEU 49 10.641 -3.896 2.610 350 HA LEU 49 HA LEU 49 9.356 -1.410 1.989 351 HB2 LEU 49 1HB LEU 49 10.322 -2.727 4.496 352 HB3 LEU 49 2HB LEU 49 9.824 -1.036 4.514 353 HG LEU 49 HG LEU 49 8.024 -3.253 3.561 354 HD11 LEU 49 1HD1 LEU 49 7.796 -2.025 6.273 355 HD12 LEU 49 2HD1 LEU 49 8.887 -3.386 6.012 356 HD13 LEU 49 3HD1 LEU 49 7.165 -3.560 5.676 357 HD21 LEU 49 1HD2 LEU 49 7.803 -0.578 3.223 358 HD22 LEU 49 2HD2 LEU 49 6.971 -0.785 4.765 359 HD23 LEU 49 3HD2 LEU 49 6.432 -1.680 3.343 360 H ALA 50 H ALA 50 12.567 -2.360 3.157 361 HA ALA 50 HA ALA 50 13.700 0.089 3.652 362 HB1 ALA 50 1HB ALA 50 15.861 -1.016 2.808 363 HB2 ALA 50 2HB ALA 50 15.016 -1.764 4.164 364 HB3 ALA 50 3HB ALA 50 14.859 -2.443 2.545 365 H LYS 51 H LYS 51 12.901 -1.335 0.574 366 HA LYS 51 HA LYS 51 14.487 0.356 -1.057 367 HB2 LYS 51 1HB LYS 51 13.148 -1.875 -1.574 368 HB3 LYS 51 2HB LYS 51 11.898 -0.737 -2.057 369 HG2 LYS 51 1HG LYS 51 13.096 -1.272 -4.011 370 HG3 LYS 51 2HG LYS 51 13.622 0.347 -3.543 371 HD2 LYS 51 1HD LYS 51 15.598 -0.795 -4.103 372 HD3 LYS 51 2HD LYS 51 15.551 -0.812 -2.339 373 HE2 LYS 51 1HE LYS 51 14.877 -3.071 -2.282 374 HE3 LYS 51 2HE LYS 51 14.474 -3.076 -3.998 375 HZ1 LYS 51 1HZ LYS 51 16.750 -2.995 -4.576 376 HZ2 LYS 51 2HZ LYS 51 16.607 -4.199 -3.397 377 HZ3 LYS 51 3HZ LYS 51 17.232 -2.682 -2.985 378 H ILE 52 H ILE 52 10.963 0.396 -0.479 379 HA ILE 52 HA ILE 52 10.350 2.758 -1.743 380 HB ILE 52 HB ILE 52 9.122 1.722 0.814 381 HG12 ILE 52 1HG1 ILE 52 8.067 1.370 -1.985 382 HG13 ILE 52 2HG1 ILE 52 9.190 0.217 -1.272 383 HG21 ILE 52 1HG2 ILE 52 7.235 3.085 0.357 384 HG22 ILE 52 2HG2 ILE 52 8.653 4.126 0.237 385 HG23 ILE 52 3HG2 ILE 52 7.863 3.539 -1.227 386 HD11 ILE 52 1HD1 ILE 52 6.614 -0.170 -1.146 387 HD12 ILE 52 2HD1 ILE 52 7.649 -0.561 0.228 388 HD13 ILE 52 3HD1 ILE 52 6.721 0.938 0.221 389 H THR 53 H THR 53 11.039 2.409 1.742 390 HA THR 53 HA THR 53 11.010 5.093 2.419 391 HB THR 53 HB THR 53 12.628 4.438 4.266 392 HG1 THR 53 1HG THR 53 12.182 1.763 3.565 393 HG21 THR 53 1HG2 THR 53 10.974 3.190 5.476 394 HG22 THR 53 2HG2 THR 53 10.218 2.644 3.979 395 HG23 THR 53 3HG2 THR 53 10.134 4.343 4.441 396 H GLN 54 H GLN 54 13.581 3.183 0.971 397 HA GLN 54 HA GLN 54 15.756 4.844 1.318 398 HB2 GLN 54 1HB GLN 54 15.677 2.554 0.212 399 HB3 GLN 54 2HB GLN 54 15.188 3.386 -1.258 400 HG2 GLN 54 1HG GLN 54 17.342 4.813 -0.766 401 HG3 GLN 54 2HG GLN 54 17.810 3.372 0.133 402 HE21 GLN 54 1HE2 GLN 54 17.999 4.856 -2.780 403 HE22 GLN 54 2HE2 GLN 54 18.295 3.486 -3.790 404 H GLN 55 H GLN 55 13.285 4.975 -1.226 405 HA GLN 55 HA GLN 55 14.446 7.360 -2.377 406 HB2 GLN 55 1HB GLN 55 13.225 5.488 -3.646 407 HB3 GLN 55 2HB GLN 55 11.742 6.219 -3.045 408 HG2 GLN 55 1HG GLN 55 12.781 8.401 -4.064 409 HG3 GLN 55 2HG GLN 55 13.695 7.249 -5.035 410 HE21 GLN 55 1HE2 GLN 55 12.309 5.492 -6.034 411 HE22 GLN 55 2HE2 GLN 55 10.815 6.002 -6.736 412 H MET 56 H MET 56 11.749 6.507 -0.299 413 HA MET 56 HA MET 56 11.008 9.347 -0.119 414 HB2 MET 56 1HB MET 56 9.481 6.811 0.407 415 HB3 MET 56 2HB MET 56 8.940 8.352 1.060 416 HG2 MET 56 1HG MET 56 7.980 7.512 -1.183 417 HG3 MET 56 2HG MET 56 8.427 9.208 -1.011 418 HE1 MET 56 1HE MET 56 9.560 5.694 -2.461 419 HE2 MET 56 2HE MET 56 8.302 6.538 -3.363 420 HE3 MET 56 3HE MET 56 9.895 6.299 -4.083 421 HA PRO 57 HA PRO 57 13.263 8.531 3.820 422 HB2 PRO 57 1HB PRO 57 14.388 10.998 3.937 423 HB3 PRO 57 2HB PRO 57 15.100 9.661 3.027 424 HG2 PRO 57 1HG PRO 57 13.434 11.945 2.045 425 HG3 PRO 57 2HG PRO 57 14.897 11.240 1.334 426 HD2 PRO 57 1HD PRO 57 12.414 10.662 0.425 427 HD3 PRO 57 2HD PRO 57 13.743 9.487 0.381 428 H LYS 58 H LYS 58 11.282 11.238 2.745 429 HA LYS 58 HA LYS 58 10.745 12.204 5.392 430 HB2 LYS 58 1HB LYS 58 9.720 12.832 2.650 431 HB3 LYS 58 2HB LYS 58 8.842 13.419 4.055 432 HG2 LYS 58 1HG LYS 58 11.260 14.246 4.755 433 HG3 LYS 58 2HG LYS 58 11.498 14.209 3.006 434 HD2 LYS 58 1HD LYS 58 10.700 16.339 3.244 435 HD3 LYS 58 2HD LYS 58 9.176 15.475 3.025 436 HE2 LYS 58 1HE LYS 58 8.763 15.465 5.376 437 HE3 LYS 58 2HE LYS 58 10.381 16.074 5.720 438 HZ1 LYS 58 1HZ LYS 58 8.024 17.504 4.745 439 HZ2 LYS 58 2HZ LYS 58 9.537 18.026 4.196 440 HZ3 LYS 58 3HZ LYS 58 9.203 17.995 5.854 441 H VAL 59 H VAL 59 9.477 9.726 3.398 442 HA VAL 59 HA VAL 59 6.914 9.621 4.766 443 HB VAL 59 HB VAL 59 8.060 7.702 2.732 444 HG11 VAL 59 1HG1 VAL 59 6.025 7.193 4.394 445 HG12 VAL 59 2HG1 VAL 59 5.147 8.038 3.116 446 HG13 VAL 59 3HG1 VAL 59 6.084 6.593 2.737 447 HG21 VAL 59 1HG2 VAL 59 7.845 9.993 1.853 448 HG22 VAL 59 2HG2 VAL 59 6.722 8.873 1.083 449 HG23 VAL 59 3HG2 VAL 59 6.143 9.995 2.314 450 H HIS 60 H HIS 60 6.477 8.394 6.481 451 HA HIS 60 HA HIS 60 8.500 6.428 7.326 452 HB2 HIS 60 1HB HIS 60 6.747 8.317 8.825 453 HB3 HIS 60 2HB HIS 60 7.137 6.777 9.585 454 HD1 HIS 60 1HD HIS 60 10.079 6.509 8.734 455 HD2 HIS 60 2HD HIS 60 8.383 10.012 10.188 456 HE1 HIS 60 1HE HIS 60 11.996 7.856 9.647 457 H ILE 61 H ILE 61 7.895 4.444 6.750 458 HA ILE 61 HA ILE 61 5.093 3.719 6.588 459 HB ILE 61 HB ILE 61 7.534 2.007 6.104 460 HG12 ILE 61 1HG1 ILE 61 5.764 3.340 4.051 461 HG13 ILE 61 2HG1 ILE 61 7.275 4.043 4.618 462 HG21 ILE 61 1HG2 ILE 61 4.641 1.510 6.019 463 HG22 ILE 61 2HG2 ILE 61 5.539 0.944 4.612 464 HG23 ILE 61 3HG2 ILE 61 5.983 0.385 6.225 465 HD11 ILE 61 1HD1 ILE 61 8.389 2.856 3.129 466 HD12 ILE 61 2HD1 ILE 61 7.779 1.362 3.841 467 HD13 ILE 61 3HD1 ILE 61 6.872 2.160 2.555 468 H GLU 62 H GLU 62 3.981 2.536 8.024 469 HA GLU 62 HA GLU 62 5.454 1.206 10.192 470 HB2 GLU 62 1HB GLU 62 4.675 3.289 11.125 471 HB3 GLU 62 2HB GLU 62 3.059 3.021 10.487 472 HG2 GLU 62 1HG GLU 62 3.162 0.861 11.955 473 HG3 GLU 62 2HG GLU 62 4.411 1.757 12.817 474 H PHE 63 H PHE 63 4.613 -0.713 10.897 475 HA PHE 63 HA PHE 63 2.190 -1.664 9.516 476 HB2 PHE 63 1HB PHE 63 4.848 -2.938 9.914 477 HB3 PHE 63 2HB PHE 63 3.432 -3.979 10.011 478 HD1 PHE 63 2HD PHE 63 1.875 -4.103 8.056 479 HD2 PHE 63 1HD PHE 63 5.665 -2.174 7.849 480 HE1 PHE 63 2HE PHE 63 1.804 -4.235 5.600 481 HE2 PHE 63 1HE PHE 63 5.599 -2.302 5.393 482 HZ PHE 63 HZ PHE 63 3.668 -3.335 4.265 483 H THR 64 H THR 64 0.621 -2.569 10.723 484 HA THR 64 HA THR 64 1.203 -3.135 13.553 485 HB THR 64 HB THR 64 -1.348 -1.840 12.581 486 HG1 THR 64 1HG THR 64 -0.318 -0.029 13.884 487 HG21 THR 64 1HG2 THR 64 -0.253 -2.155 15.377 488 HG22 THR 64 2HG2 THR 64 -1.469 -3.212 14.659 489 HG23 THR 64 3HG2 THR 64 -1.826 -1.504 14.916 490 H GLU 65 H GLU 65 0.400 -5.004 14.325 491 HA GLU 65 HA GLU 65 -0.752 -6.876 12.500 492 HB2 GLU 65 1HB GLU 65 -0.745 -8.422 14.396 493 HB3 GLU 65 2HB GLU 65 0.798 -7.593 14.251 494 HG2 GLU 65 1HG GLU 65 -0.129 -5.964 15.994 495 HG3 GLU 65 2HG GLU 65 -1.361 -7.190 16.286 496 H GLY 66 H GLY 66 -1.948 -5.176 15.384 497 HA2 GLY 66 1HA GLY 66 -4.545 -6.311 15.315 498 HA3 GLY 66 2HA GLY 66 -4.081 -4.851 16.177 499 H GLU 67 H GLU 67 -3.670 -2.922 14.638 500 HA GLU 67 HA GLU 67 -6.029 -2.108 13.516 501 HB2 GLU 67 1HB GLU 67 -3.267 -1.278 12.611 502 HB3 GLU 67 2HB GLU 67 -4.754 -0.380 12.340 503 HG2 GLU 67 1HG GLU 67 -4.960 0.195 14.589 504 HG3 GLU 67 2HG GLU 67 -3.829 -1.055 15.106 505 H ASP 68 H ASP 68 -3.511 -4.040 12.056 506 HA ASP 68 HA ASP 68 -3.381 -5.177 10.090 507 HB2 ASP 68 1HB ASP 68 -6.323 -4.961 10.556 508 HB3 ASP 68 2HB ASP 68 -5.764 -5.557 8.995 509 H LYS 69 H LYS 69 -2.758 -2.533 9.875 510 HA LYS 69 HA LYS 69 -3.353 -2.037 7.094 511 HB2 LYS 69 1HB LYS 69 -4.209 0.217 7.403 512 HB3 LYS 69 2HB LYS 69 -5.246 -0.938 8.230 513 HG2 LYS 69 1HG LYS 69 -4.320 -0.338 10.357 514 HG3 LYS 69 2HG LYS 69 -3.111 0.691 9.589 515 HD2 LYS 69 1HD LYS 69 -4.795 2.217 8.834 516 HD3 LYS 69 2HD LYS 69 -6.084 1.130 9.356 517 HE2 LYS 69 1HE LYS 69 -5.474 1.448 11.668 518 HE3 LYS 69 2HE LYS 69 -4.073 2.411 11.202 519 HZ1 LYS 69 1HZ LYS 69 -5.462 4.117 11.532 520 HZ2 LYS 69 2HZ LYS 69 -6.856 3.171 11.381 521 HZ3 LYS 69 3HZ LYS 69 -6.063 3.736 9.997 522 H ILE 70 H ILE 70 -2.104 -0.135 6.268 523 HA ILE 70 HA ILE 70 0.454 0.047 7.710 524 HB ILE 70 HB ILE 70 -0.075 0.565 4.782 525 HG12 ILE 70 1HG1 ILE 70 1.360 -1.797 5.996 526 HG13 ILE 70 2HG1 ILE 70 -0.352 -1.833 5.589 527 HG21 ILE 70 1HG2 ILE 70 1.836 1.743 5.104 528 HG22 ILE 70 2HG2 ILE 70 2.298 0.816 6.530 529 HG23 ILE 70 3HG2 ILE 70 2.555 0.143 4.921 530 HD11 ILE 70 1HD1 ILE 70 1.237 -2.811 3.894 531 HD12 ILE 70 2HD1 ILE 70 0.093 -1.611 3.291 532 HD13 ILE 70 3HD1 ILE 70 1.773 -1.160 3.581 533 H THR 71 H THR 71 0.781 1.885 8.755 534 HA THR 71 HA THR 71 -0.684 4.285 8.018 535 HB THR 71 HB THR 71 1.233 3.813 10.310 536 HG1 THR 71 1HG THR 71 -0.457 2.776 11.058 537 HG21 THR 71 1HG2 THR 71 1.109 5.996 10.741 538 HG22 THR 71 2HG2 THR 71 -0.653 5.917 10.753 539 HG23 THR 71 3HG2 THR 71 0.208 6.222 9.244 540 H LEU 72 H LEU 72 0.148 6.013 7.007 541 HA LEU 72 HA LEU 72 3.054 6.051 6.518 542 HB2 LEU 72 1HB LEU 72 0.753 6.678 4.699 543 HB3 LEU 72 2HB LEU 72 2.359 7.342 4.402 544 HG LEU 72 HG LEU 72 2.047 5.408 3.019 545 HD11 LEU 72 1HD1 LEU 72 3.801 4.541 5.302 546 HD12 LEU 72 2HD1 LEU 72 4.258 5.807 4.163 547 HD13 LEU 72 3HD1 LEU 72 3.974 4.165 3.588 548 HD21 LEU 72 1HD2 LEU 72 0.282 4.402 4.526 549 HD22 LEU 72 2HD2 LEU 72 1.607 3.754 5.494 550 HD23 LEU 72 3HD2 LEU 72 1.428 3.269 3.806 551 H GLU 73 H GLU 73 4.128 7.947 6.804 552 HA GLU 73 HA GLU 73 2.538 10.316 7.527 553 HB2 GLU 73 1HB GLU 73 4.993 9.276 8.951 554 HB3 GLU 73 2HB GLU 73 4.249 10.839 9.260 555 HG2 GLU 73 1HG GLU 73 2.430 9.926 10.311 556 HG3 GLU 73 2HG GLU 73 2.577 8.386 9.464 557 H GLY 74 H GLY 74 3.001 11.985 6.263 558 HA2 GLY 74 1HA GLY 74 5.388 13.177 5.783 559 HA3 GLY 74 2HA GLY 74 5.321 11.929 4.547 560 HA PRO 75 HA PRO 75 3.229 15.823 3.017 561 HB2 PRO 75 1HB PRO 75 4.735 16.076 0.773 562 HB3 PRO 75 2HB PRO 75 5.198 16.784 2.326 563 HG2 PRO 75 1HG PRO 75 6.139 14.247 1.046 564 HG3 PRO 75 2HG PRO 75 7.080 15.487 1.896 565 HD2 PRO 75 1HD PRO 75 6.343 13.159 3.067 566 HD3 PRO 75 2HD PRO 75 6.506 14.676 3.976 567 H THR 76 H THR 76 1.450 15.592 1.819 568 HA THR 76 HA THR 76 0.449 13.319 0.772 569 HB THR 76 HB THR 76 -0.894 15.335 0.896 570 HG1 THR 76 1HG THR 76 -1.781 13.925 -0.535 571 HG21 THR 76 1HG2 THR 76 -0.587 16.932 -1.170 572 HG22 THR 76 2HG2 THR 76 1.069 16.327 -1.123 573 HG23 THR 76 3HG2 THR 76 0.388 17.147 0.282 574 H GLU 77 H GLU 77 2.904 15.313 -0.671 575 HA GLU 77 HA GLU 77 2.728 14.296 -3.313 576 HB2 GLU 77 1HB GLU 77 3.868 16.383 -2.900 577 HB3 GLU 77 2HB GLU 77 5.010 15.596 -1.820 578 HG2 GLU 77 1HG GLU 77 5.633 14.182 -3.888 579 HG3 GLU 77 2HG GLU 77 4.833 15.462 -4.799 580 H ASP 78 H ASP 78 5.027 13.577 -0.681 581 HA ASP 78 HA ASP 78 6.175 11.358 -2.063 582 HB2 ASP 78 1HB ASP 78 6.344 12.190 0.841 583 HB3 ASP 78 2HB ASP 78 7.312 10.913 0.106 584 H VAL 79 H VAL 79 3.838 11.694 0.578 585 HA VAL 79 HA VAL 79 3.510 9.050 1.294 586 HB VAL 79 HB VAL 79 1.334 11.136 1.096 587 HG11 VAL 79 1HG1 VAL 79 0.194 9.142 1.414 588 HG12 VAL 79 2HG1 VAL 79 1.480 8.448 2.406 589 HG13 VAL 79 3HG1 VAL 79 0.441 9.713 3.065 590 HG21 VAL 79 1HG2 VAL 79 3.183 10.426 3.371 591 HG22 VAL 79 2HG2 VAL 79 3.203 11.921 2.435 592 HG23 VAL 79 3HG2 VAL 79 1.827 11.548 3.472 593 H SER 80 H SER 80 1.925 10.819 -1.340 594 HA SER 80 HA SER 80 0.210 8.773 -2.186 595 HB2 SER 80 1HB SER 80 0.057 11.147 -2.920 596 HB3 SER 80 2HB SER 80 1.496 10.905 -3.910 597 HG SER 80 HG SER 80 -0.816 10.591 -4.796 598 H VAL 81 H VAL 81 3.578 9.444 -2.936 599 HA VAL 81 HA VAL 81 3.797 7.516 -5.027 600 HB VAL 81 HB VAL 81 5.966 8.767 -3.336 601 HG11 VAL 81 1HG1 VAL 81 7.547 7.833 -4.688 602 HG12 VAL 81 2HG1 VAL 81 6.329 6.557 -4.747 603 HG13 VAL 81 3HG1 VAL 81 6.458 7.716 -6.070 604 HG21 VAL 81 1HG2 VAL 81 5.485 9.574 -6.144 605 HG22 VAL 81 2HG2 VAL 81 4.324 10.128 -4.939 606 HG23 VAL 81 3HG2 VAL 81 6.032 10.530 -4.768 607 H ALA 82 H ALA 82 4.976 7.544 -1.660 608 HA ALA 82 HA ALA 82 5.958 4.932 -1.616 609 HB1 ALA 82 1HB ALA 82 6.392 5.308 0.566 610 HB2 ALA 82 2HB ALA 82 5.986 6.969 0.137 611 HB3 ALA 82 3HB ALA 82 4.775 5.933 0.891 612 H GLN 83 H GLN 83 2.791 6.151 -0.529 613 HA GLN 83 HA GLN 83 1.688 3.742 0.286 614 HB2 GLN 83 1HB GLN 83 -0.359 4.826 0.330 615 HB3 GLN 83 2HB GLN 83 0.766 6.175 0.418 616 HG2 GLN 83 1HG GLN 83 0.456 6.679 -1.892 617 HG3 GLN 83 2HG GLN 83 -0.484 5.208 -2.139 618 HE21 GLN 83 1HE2 GLN 83 -2.590 5.469 -2.184 619 HE22 GLN 83 2HE2 GLN 83 -3.479 6.746 -1.434 620 H GLU 84 H GLU 84 1.701 5.211 -2.940 621 HA GLU 84 HA GLU 84 0.112 3.265 -4.206 622 HB2 GLU 84 1HB GLU 84 0.846 5.581 -5.062 623 HB3 GLU 84 2HB GLU 84 2.318 4.774 -5.588 624 HG2 GLU 84 1HG GLU 84 0.926 3.216 -6.923 625 HG3 GLU 84 2HG GLU 84 -0.492 4.163 -6.474 626 H GLN 85 H GLN 85 3.626 3.544 -3.830 627 HA GLN 85 HA GLN 85 4.375 1.350 -5.378 628 HB2 GLN 85 1HB GLN 85 5.634 2.738 -3.035 629 HB3 GLN 85 2HB GLN 85 6.376 1.298 -3.718 630 HG2 GLN 85 1HG GLN 85 6.309 2.490 -5.949 631 HG3 GLN 85 2HG GLN 85 5.902 3.946 -5.044 632 HE21 GLN 85 1HE2 GLN 85 7.981 4.504 -6.241 633 HE22 GLN 85 2HE2 GLN 85 9.450 4.253 -5.366 634 H ILE 86 H ILE 86 3.355 1.536 -2.008 635 HA ILE 86 HA ILE 86 3.916 -1.194 -1.406 636 HB ILE 86 HB ILE 86 2.058 0.733 -0.007 637 HG12 ILE 86 1HG1 ILE 86 4.882 -0.062 0.722 638 HG13 ILE 86 2HG1 ILE 86 4.478 1.408 -0.158 639 HG21 ILE 86 1HG2 ILE 86 2.803 -2.070 0.493 640 HG22 ILE 86 2HG2 ILE 86 2.854 -1.003 1.895 641 HG23 ILE 86 3HG2 ILE 86 1.362 -1.174 0.972 642 HD11 ILE 86 1HD1 ILE 86 4.283 2.414 1.802 643 HD12 ILE 86 2HD1 ILE 86 2.843 1.439 2.093 644 HD13 ILE 86 3HD1 ILE 86 4.415 0.883 2.665 645 H GLU 87 H GLU 87 1.019 0.576 -2.399 646 HA GLU 87 HA GLU 87 -0.858 -1.460 -2.098 647 HB2 GLU 87 1HB GLU 87 -0.690 0.887 -3.971 648 HB3 GLU 87 2HB GLU 87 -2.042 -0.234 -4.036 649 HG2 GLU 87 1HG GLU 87 -2.176 0.260 -1.468 650 HG3 GLU 87 2HG GLU 87 -1.298 1.721 -1.921 651 H GLY 88 H GLY 88 1.491 -0.879 -4.631 652 HA2 GLY 88 1HA GLY 88 0.408 -2.666 -6.549 653 HA3 GLY 88 2HA GLY 88 2.065 -2.083 -6.503 654 H MET 89 H MET 89 2.898 -3.079 -4.052 655 HA MET 89 HA MET 89 3.403 -5.808 -4.751 656 HB2 MET 89 1HB MET 89 4.922 -5.841 -2.946 657 HB3 MET 89 2HB MET 89 5.013 -4.208 -3.592 658 HG2 MET 89 1HG MET 89 3.848 -3.300 -1.790 659 HG3 MET 89 2HG MET 89 3.215 -4.867 -1.293 660 HE1 MET 89 1HE MET 89 4.371 -3.186 1.090 661 HE2 MET 89 2HE MET 89 6.120 -2.950 1.097 662 HE3 MET 89 3HE MET 89 5.135 -2.211 -0.167 663 H VAL 90 H VAL 90 1.147 -4.167 -2.714 664 HA VAL 90 HA VAL 90 0.520 -6.350 -0.996 665 HB VAL 90 HB VAL 90 -1.133 -3.921 -1.706 666 HG11 VAL 90 1HG1 VAL 90 -2.758 -4.669 -0.379 667 HG12 VAL 90 2HG1 VAL 90 -1.955 -6.240 -0.421 668 HG13 VAL 90 3HG1 VAL 90 -1.614 -5.110 0.890 669 HG21 VAL 90 1HG2 VAL 90 1.254 -3.962 -0.401 670 HG22 VAL 90 2HG2 VAL 90 -0.001 -2.745 -0.164 671 HG23 VAL 90 3HG2 VAL 90 0.118 -4.116 0.939 672 H LYS 91 H LYS 91 -1.071 -4.993 -3.876 673 HA LYS 91 HA LYS 91 -3.156 -6.892 -3.976 674 HB2 LYS 91 1HB LYS 91 -3.416 -4.833 -5.165 675 HB3 LYS 91 2HB LYS 91 -1.942 -5.108 -6.086 676 HG2 LYS 91 1HG LYS 91 -3.471 -5.696 -7.655 677 HG3 LYS 91 2HG LYS 91 -3.267 -7.262 -6.866 678 HD2 LYS 91 1HD LYS 91 -5.329 -5.408 -5.789 679 HD3 LYS 91 2HD LYS 91 -5.663 -6.227 -7.318 680 HE2 LYS 91 1HE LYS 91 -5.273 -8.386 -6.264 681 HE3 LYS 91 2HE LYS 91 -4.873 -7.588 -4.743 682 HZ1 LYS 91 1HZ LYS 91 -7.035 -7.980 -4.326 683 HZ2 LYS 91 2HZ LYS 91 -7.467 -8.068 -5.959 684 HZ3 LYS 91 3HZ LYS 91 -7.276 -6.561 -5.215 685 H ASP 92 H ASP 92 -0.013 -6.733 -5.612 686 HA ASP 92 HA ASP 92 -0.272 -8.981 -7.234 687 HB2 ASP 92 1HB ASP 92 1.624 -7.188 -7.072 688 HB3 ASP 92 2HB ASP 92 2.348 -8.320 -5.934 689 H LEU 93 H LEU 93 0.714 -8.712 -3.858 690 HA LEU 93 HA LEU 93 1.534 -11.381 -3.502 691 HB2 LEU 93 1HB LEU 93 0.607 -9.217 -1.658 692 HB3 LEU 93 2HB LEU 93 0.883 -10.846 -1.045 693 HG LEU 93 HG LEU 93 3.019 -9.344 -2.528 694 HD11 LEU 93 1HD1 LEU 93 3.506 -8.037 -0.791 695 HD12 LEU 93 2HD1 LEU 93 3.283 -9.351 0.363 696 HD13 LEU 93 3HD1 LEU 93 1.892 -8.417 -0.188 697 HD21 LEU 93 1HD2 LEU 93 2.899 -11.928 -1.790 698 HD22 LEU 93 2HD2 LEU 93 3.593 -11.223 -0.329 699 HD23 LEU 93 3HD2 LEU 93 4.401 -11.007 -1.882 700 H ILE 94 H ILE 94 -1.560 -9.799 -2.711 701 HA ILE 94 HA ILE 94 -2.885 -12.107 -1.831 702 HB ILE 94 HB ILE 94 -4.076 -9.645 -3.112 703 HG12 ILE 94 1HG1 ILE 94 -4.008 -10.221 -0.168 704 HG13 ILE 94 2HG1 ILE 94 -2.609 -9.498 -0.955 705 HG21 ILE 94 1HG2 ILE 94 -5.856 -11.068 -3.164 706 HG22 ILE 94 2HG2 ILE 94 -5.262 -12.039 -1.818 707 HG23 ILE 94 3HG2 ILE 94 -6.013 -10.473 -1.511 708 HD11 ILE 94 1HD1 ILE 94 -4.846 -8.033 -1.807 709 HD12 ILE 94 2HD1 ILE 94 -5.019 -8.262 -0.066 710 HD13 ILE 94 3HD1 ILE 94 -3.557 -7.520 -0.718 711 H ASN 95 H ASN 95 -2.845 -10.556 -5.030 712 HA ASN 95 HA ASN 95 -4.590 -12.313 -6.321 713 HB2 ASN 95 1HB ASN 95 -2.463 -10.423 -7.197 714 HB3 ASN 95 2HB ASN 95 -3.023 -11.611 -8.370 715 HD21 ASN 95 1HD2 ASN 95 -3.322 -8.750 -8.448 716 HD22 ASN 95 2HD2 ASN 95 -5.019 -8.428 -8.485 717 H ARG 96 H ARG 96 -1.058 -12.434 -5.988 718 HA ARG 96 HA ARG 96 -0.488 -14.618 -7.565 719 HB2 ARG 96 1HB ARG 96 0.740 -13.504 -5.078 720 HB3 ARG 96 2HB ARG 96 1.312 -15.053 -5.683 721 HG2 ARG 96 1HG ARG 96 1.160 -12.648 -7.462 722 HG3 ARG 96 2HG ARG 96 2.548 -12.938 -6.412 723 HD2 ARG 96 1HD ARG 96 1.578 -15.128 -8.189 724 HD3 ARG 96 2HD ARG 96 2.529 -13.816 -8.882 725 HE ARG 96 HE ARG 96 3.463 -15.903 -7.124 726 HH11 ARG 96 1HH1 ARG 96 4.063 -12.726 -8.416 727 HH12 ARG 96 2HH1 ARG 96 5.770 -12.785 -8.120 728 HH21 ARG 96 1HH2 ARG 96 5.707 -15.993 -6.730 729 HH22 ARG 96 2HH2 ARG 96 6.703 -14.645 -7.161 730 H SER 97 H SER 97 -1.306 -14.662 -4.096 731 HA SER 97 HA SER 97 -1.540 -17.546 -4.117 732 HB2 SER 97 1HB SER 97 -0.618 -16.254 -2.164 733 HB3 SER 97 2HB SER 97 -2.245 -15.635 -1.880 734 HG SER 97 HG SER 97 -2.666 -18.126 -2.009 735 H GLY 98 H GLY 98 -3.255 -17.851 -5.597 736 HA2 GLY 98 1HA GLY 98 -5.870 -17.649 -4.347 737 HA3 GLY 98 2HA GLY 98 -5.679 -16.737 -5.838 738 HA PRO 99 HA PRO 99 -5.334 -21.495 -6.815 739 HB2 PRO 99 1HB PRO 99 -6.584 -23.086 -5.005 740 HB3 PRO 99 2HB PRO 99 -4.867 -22.678 -4.901 741 HG2 PRO 99 1HG PRO 99 -7.190 -21.482 -3.439 742 HG3 PRO 99 2HG PRO 99 -5.589 -21.928 -2.821 743 HD2 PRO 99 1HD PRO 99 -6.258 -19.376 -3.431 744 HD3 PRO 99 2HD PRO 99 -4.607 -20.001 -3.619 745 H SER 100 H SER 100 -8.095 -20.024 -5.233 746 HA SER 100 HA SER 100 -10.111 -21.579 -6.462 747 HB2 SER 100 1HB SER 100 -10.226 -19.901 -4.444 748 HB3 SER 100 2HB SER 100 -10.578 -18.717 -5.703 749 HG SER 100 HG SER 100 -12.538 -19.473 -5.220 750 H SER 101 H SER 101 -11.430 -21.142 -8.240 751 HA SER 101 HA SER 101 -10.101 -19.749 -10.390 752 HB2 SER 101 1HB SER 101 -12.444 -21.577 -10.148 753 HB3 SER 101 2HB SER 101 -12.371 -20.515 -11.553 754 HG SER 101 HG SER 101 -10.212 -22.165 -10.759 755 H GLY 102 H GLY 102 -11.165 -18.153 -11.740 756 HA2 GLY 102 1HA GLY 102 -12.550 -16.335 -12.136 757 HA3 GLY 102 2HA GLY 102 -13.469 -16.761 -10.700 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -14.648 -32.222 13.648 2 HA2 GLY 1 1HA GLY 1 -14.956 -33.449 11.254 3 HA3 GLY 1 2HA GLY 1 -16.200 -33.487 12.494 4 H SER 2 H SER 2 -18.056 -33.271 11.398 5 HA SER 2 HA SER 2 -18.241 -31.214 9.318 6 HB2 SER 2 1HB SER 2 -19.003 -33.426 8.648 7 HB3 SER 2 2HB SER 2 -20.104 -33.495 10.023 8 HG SER 2 HG SER 2 -21.405 -32.043 9.080 9 H SER 3 H SER 3 -19.004 -29.296 9.877 10 HA SER 3 HA SER 3 -21.420 -28.975 11.344 11 HB2 SER 3 1HB SER 3 -19.567 -29.435 13.116 12 HB3 SER 3 2HB SER 3 -19.051 -27.786 12.760 13 HG SER 3 HG SER 3 -21.760 -28.214 13.260 14 H GLY 4 H GLY 4 -22.303 -26.964 11.040 15 HA2 GLY 4 1HA GLY 4 -20.861 -25.238 9.173 16 HA3 GLY 4 2HA GLY 4 -22.580 -25.173 9.531 17 H SER 5 H SER 5 -19.921 -23.400 9.745 18 HA SER 5 HA SER 5 -19.456 -22.492 12.243 19 HB2 SER 5 1HB SER 5 -19.184 -20.193 11.231 20 HB3 SER 5 2HB SER 5 -18.319 -21.480 10.391 21 HG SER 5 HG SER 5 -19.762 -19.849 9.191 22 H SER 6 H SER 6 -20.658 -21.808 13.877 23 HA SER 6 HA SER 6 -23.330 -21.632 14.060 24 HB2 SER 6 1HB SER 6 -21.331 -19.835 15.452 25 HB3 SER 6 2HB SER 6 -23.020 -19.999 15.933 26 HG SER 6 HG SER 6 -22.656 -22.043 16.575 27 H GLY 7 H GLY 7 -21.258 -18.826 13.309 28 HA2 GLY 7 1HA GLY 7 -22.383 -17.631 11.266 29 HA3 GLY 7 2HA GLY 7 -23.637 -17.341 12.462 30 H GLU 8 H GLU 8 -20.120 -17.309 12.891 31 HA GLU 8 HA GLU 8 -20.088 -15.015 14.475 32 HB2 GLU 8 1HB GLU 8 -17.678 -14.976 14.108 33 HB3 GLU 8 2HB GLU 8 -18.234 -16.622 14.379 34 HG2 GLU 8 1HG GLU 8 -18.317 -16.765 11.801 35 HG3 GLU 8 2HG GLU 8 -17.273 -15.347 11.855 36 HA PRO 9 HA PRO 9 -20.624 -11.686 11.649 37 HB2 PRO 9 1HB PRO 9 -19.401 -9.715 13.060 38 HB3 PRO 9 2HB PRO 9 -20.983 -10.371 13.499 39 HG2 PRO 9 1HG PRO 9 -18.287 -11.005 14.635 40 HG3 PRO 9 2HG PRO 9 -19.824 -10.746 15.480 41 HD2 PRO 9 1HD PRO 9 -18.825 -13.216 15.000 42 HD3 PRO 9 2HD PRO 9 -20.569 -12.884 15.045 43 H GLU 10 H GLU 10 -19.263 -9.818 10.693 44 HA GLU 10 HA GLU 10 -16.437 -10.179 10.519 45 HB2 GLU 10 1HB GLU 10 -16.354 -10.782 8.125 46 HB3 GLU 10 2HB GLU 10 -17.061 -12.053 9.114 47 HG2 GLU 10 1HG GLU 10 -19.313 -10.913 8.443 48 HG3 GLU 10 2HG GLU 10 -18.353 -10.266 7.114 49 H LYS 11 H LYS 11 -15.503 -8.315 9.926 50 HA LYS 11 HA LYS 11 -17.243 -6.129 9.098 51 HB2 LYS 11 1HB LYS 11 -14.434 -6.266 10.169 52 HB3 LYS 11 2HB LYS 11 -15.080 -4.785 9.475 53 HG2 LYS 11 1HG LYS 11 -16.671 -4.546 11.166 54 HG3 LYS 11 2HG LYS 11 -16.507 -6.227 11.681 55 HD2 LYS 11 1HD LYS 11 -15.369 -5.014 13.324 56 HD3 LYS 11 2HD LYS 11 -14.087 -5.610 12.265 57 HE2 LYS 11 1HE LYS 11 -13.839 -3.495 11.229 58 HE3 LYS 11 2HE LYS 11 -15.331 -2.889 11.946 59 HZ1 LYS 11 1HZ LYS 11 -13.550 -3.745 13.968 60 HZ2 LYS 11 2HZ LYS 11 -14.216 -2.212 13.718 61 HZ3 LYS 11 3HZ LYS 11 -12.769 -2.640 12.952 62 H LEU 12 H LEU 12 -16.764 -8.094 7.134 63 HA LEU 12 HA LEU 12 -14.704 -7.178 5.351 64 HB2 LEU 12 1HB LEU 12 -16.895 -9.213 5.173 65 HB3 LEU 12 2HB LEU 12 -15.967 -8.757 3.746 66 HG LEU 12 HG LEU 12 -14.642 -9.775 6.245 67 HD11 LEU 12 1HD1 LEU 12 -14.671 -11.992 5.338 68 HD12 LEU 12 2HD1 LEU 12 -15.509 -11.440 3.888 69 HD13 LEU 12 3HD1 LEU 12 -16.334 -11.411 5.446 70 HD21 LEU 12 1HD2 LEU 12 -13.744 -8.774 3.743 71 HD22 LEU 12 2HD2 LEU 12 -13.356 -10.494 3.821 72 HD23 LEU 12 3HD2 LEU 12 -12.789 -9.403 5.086 73 H GLY 13 H GLY 13 -14.864 -5.433 4.115 74 HA2 GLY 13 1HA GLY 13 -16.107 -4.506 2.175 75 HA3 GLY 13 2HA GLY 13 -17.551 -4.643 3.168 76 H GLN 14 H GLN 14 -14.438 -2.992 2.891 77 HA GLN 14 HA GLN 14 -15.616 -0.729 4.364 78 HB2 GLN 14 1HB GLN 14 -12.949 -2.028 4.625 79 HB3 GLN 14 2HB GLN 14 -13.031 -0.282 4.815 80 HG2 GLN 14 1HG GLN 14 -14.713 -2.227 6.373 81 HG3 GLN 14 2HG GLN 14 -13.183 -1.561 6.938 82 HE21 GLN 14 1HE2 GLN 14 -15.836 -1.306 8.089 83 HE22 GLN 14 2HE2 GLN 14 -16.174 0.386 8.161 84 H ALA 15 H ALA 15 -16.165 0.627 2.751 85 HA ALA 15 HA ALA 15 -15.065 0.935 0.267 86 HB1 ALA 15 1HB ALA 15 -16.980 2.264 1.764 87 HB2 ALA 15 2HB ALA 15 -15.805 3.514 1.356 88 HB3 ALA 15 3HB ALA 15 -16.567 2.568 0.077 89 H LEU 16 H LEU 16 -13.443 2.151 -0.662 90 HA LEU 16 HA LEU 16 -11.492 3.326 1.206 91 HB2 LEU 16 1HB LEU 16 -10.934 1.993 -1.438 92 HB3 LEU 16 2HB LEU 16 -9.735 2.676 -0.342 93 HG LEU 16 HG LEU 16 -11.517 0.373 0.424 94 HD11 LEU 16 1HD1 LEU 16 -10.003 -1.162 -0.367 95 HD12 LEU 16 2HD1 LEU 16 -8.679 0.002 -0.411 96 HD13 LEU 16 3HD1 LEU 16 -9.944 0.061 -1.638 97 HD21 LEU 16 1HD2 LEU 16 -8.842 0.667 1.577 98 HD22 LEU 16 2HD2 LEU 16 -10.388 0.332 2.359 99 HD23 LEU 16 3HD2 LEU 16 -9.943 1.992 1.956 100 H THR 17 H THR 17 -11.036 5.408 0.931 101 HA THR 17 HA THR 17 -11.349 6.629 -1.709 102 HB THR 17 HB THR 17 -12.508 8.600 -0.680 103 HG1 THR 17 1HG THR 17 -12.381 6.894 1.543 104 HG21 THR 17 1HG2 THR 17 -14.711 7.610 -0.723 105 HG22 THR 17 2HG2 THR 17 -14.036 6.006 -0.436 106 HG23 THR 17 3HG2 THR 17 -13.713 6.841 -1.955 107 H GLU 18 H GLU 18 -9.556 7.708 -2.166 108 HA GLU 18 HA GLU 18 -7.735 8.466 -0.033 109 HB2 GLU 18 1HB GLU 18 -7.121 7.348 -2.302 110 HB3 GLU 18 2HB GLU 18 -7.246 8.977 -2.949 111 HG2 GLU 18 1HG GLU 18 -5.650 9.510 -0.905 112 HG3 GLU 18 2HG GLU 18 -5.235 7.809 -1.114 113 H VAL 19 H VAL 19 -8.830 10.202 0.925 114 HA VAL 19 HA VAL 19 -8.984 12.635 -0.734 115 HB VAL 19 HB VAL 19 -10.690 13.477 0.822 116 HG11 VAL 19 1HG1 VAL 19 -11.134 11.958 -1.254 117 HG12 VAL 19 2HG1 VAL 19 -11.678 10.796 -0.043 118 HG13 VAL 19 3HG1 VAL 19 -12.456 12.375 -0.165 119 HG21 VAL 19 1HG2 VAL 19 -9.747 11.537 2.533 120 HG22 VAL 19 2HG2 VAL 19 -11.204 12.502 2.768 121 HG23 VAL 19 3HG2 VAL 19 -11.314 10.903 2.032 122 H TYR 20 H TYR 20 -8.468 14.648 0.321 123 HA TYR 20 HA TYR 20 -6.691 14.330 2.649 124 HB2 TYR 20 1HB TYR 20 -5.191 15.998 1.712 125 HB3 TYR 20 2HB TYR 20 -5.399 14.677 0.567 126 HD1 TYR 20 2HD TYR 20 -7.165 15.028 -1.296 127 HD2 TYR 20 1HD TYR 20 -5.515 18.196 1.019 128 HE1 TYR 20 2HE TYR 20 -7.820 16.636 -3.039 129 HE2 TYR 20 1HE TYR 20 -6.168 19.812 -0.716 130 HH TYR 20 HH TYR 20 -8.339 19.131 -3.139 131 H ALA 21 H ALA 21 -6.674 15.992 4.161 132 HA ALA 21 HA ALA 21 -8.924 17.877 3.937 133 HB1 ALA 21 1HB ALA 21 -9.043 16.227 5.781 134 HB2 ALA 21 2HB ALA 21 -7.566 16.919 6.451 135 HB3 ALA 21 3HB ALA 21 -9.027 17.899 6.340 136 H LYS 22 H LYS 22 -6.539 18.536 2.663 137 HA LYS 22 HA LYS 22 -4.993 20.195 2.464 138 HB2 LYS 22 1HB LYS 22 -6.869 21.470 4.458 139 HB3 LYS 22 2HB LYS 22 -5.528 22.327 3.708 140 HG2 LYS 22 1HG LYS 22 -6.554 21.739 1.482 141 HG3 LYS 22 2HG LYS 22 -7.973 21.196 2.379 142 HD2 LYS 22 1HD LYS 22 -8.577 23.363 1.945 143 HD3 LYS 22 2HD LYS 22 -7.756 23.577 3.493 144 HE2 LYS 22 1HE LYS 22 -6.285 23.820 0.889 145 HE3 LYS 22 2HE LYS 22 -7.172 25.181 1.572 146 HZ1 LYS 22 1HZ LYS 22 -5.731 24.340 3.676 147 HZ2 LYS 22 2HZ LYS 22 -5.258 25.581 2.630 148 HZ3 LYS 22 3HZ LYS 22 -4.666 24.013 2.403 149 H ALA 23 H ALA 23 -4.100 18.174 4.027 150 HA ALA 23 HA ALA 23 -3.038 19.259 6.503 151 HB1 ALA 23 1HB ALA 23 -3.820 16.782 5.896 152 HB2 ALA 23 2HB ALA 23 -2.109 16.637 5.492 153 HB3 ALA 23 3HB ALA 23 -2.594 17.122 7.117 154 H ASN 24 H ASN 24 -2.117 20.804 4.496 155 HA ASN 24 HA ASN 24 0.147 20.156 3.106 156 HB2 ASN 24 1HB ASN 24 -1.006 22.356 3.019 157 HB3 ASN 24 2HB ASN 24 -0.299 22.761 4.580 158 HD21 ASN 24 1HD2 ASN 24 0.943 21.279 1.603 159 HD22 ASN 24 2HD2 ASN 24 2.273 22.366 1.417 160 H SER 25 H SER 25 0.057 21.419 6.438 161 HA SER 25 HA SER 25 2.745 21.425 7.005 162 HB2 SER 25 1HB SER 25 0.307 20.982 8.686 163 HB3 SER 25 2HB SER 25 1.900 20.765 9.411 164 HG SER 25 HG SER 25 0.721 23.089 8.359 165 H PHE 26 H PHE 26 0.486 18.704 7.335 166 HA PHE 26 HA PHE 26 2.562 16.808 6.791 167 HB2 PHE 26 1HB PHE 26 2.698 17.472 9.321 168 HB3 PHE 26 2HB PHE 26 1.284 16.436 9.475 169 HD1 PHE 26 2HD PHE 26 4.500 16.218 7.590 170 HD2 PHE 26 1HD PHE 26 1.815 14.385 10.337 171 HE1 PHE 26 2HE PHE 26 5.965 14.245 7.702 172 HE2 PHE 26 1HE PHE 26 3.276 12.409 10.453 173 HZ PHE 26 HZ PHE 26 5.354 12.337 9.133 174 H THR 27 H THR 27 1.694 15.116 5.777 175 HA THR 27 HA THR 27 -1.216 14.732 5.985 176 HB THR 27 HB THR 27 0.666 13.950 3.750 177 HG1 THR 27 1HG THR 27 0.153 16.202 3.869 178 HG21 THR 27 1HG2 THR 27 -2.336 13.678 3.935 179 HG22 THR 27 2HG2 THR 27 -1.179 12.350 4.001 180 HG23 THR 27 3HG2 THR 27 -1.347 13.301 2.526 181 H VAL 28 H VAL 28 -1.919 12.981 7.000 182 HA VAL 28 HA VAL 28 -0.136 10.638 7.165 183 HB VAL 28 HB VAL 28 -2.174 11.468 9.234 184 HG11 VAL 28 1HG1 VAL 28 0.048 9.511 9.651 185 HG12 VAL 28 2HG1 VAL 28 -1.484 9.668 10.513 186 HG13 VAL 28 3HG1 VAL 28 -1.453 8.997 8.882 187 HG21 VAL 28 1HG2 VAL 28 0.031 12.870 8.839 188 HG22 VAL 28 2HG2 VAL 28 -0.553 12.510 10.464 189 HG23 VAL 28 3HG2 VAL 28 0.751 11.552 9.763 190 H SER 29 H SER 29 -0.899 9.127 5.837 191 HA SER 29 HA SER 29 -3.777 8.520 5.938 192 HB2 SER 29 1HB SER 29 -2.012 8.820 3.517 193 HB3 SER 29 2HB SER 29 -3.472 7.834 3.464 194 HG SER 29 HG SER 29 -4.349 9.959 4.507 195 H SER 30 H SER 30 -4.339 6.322 5.514 196 HA SER 30 HA SER 30 -2.102 4.447 5.927 197 HB2 SER 30 1HB SER 30 -4.950 4.120 6.900 198 HB3 SER 30 2HB SER 30 -3.596 3.038 7.229 199 HG SER 30 HG SER 30 -4.313 4.928 8.758 200 H VAL 31 H VAL 31 -2.329 2.333 4.999 201 HA VAL 31 HA VAL 31 -4.149 2.274 2.679 202 HB VAL 31 HB VAL 31 -1.329 1.222 2.894 203 HG11 VAL 31 1HG1 VAL 31 -3.531 0.298 1.271 204 HG12 VAL 31 2HG1 VAL 31 -2.210 0.906 0.272 205 HG13 VAL 31 3HG1 VAL 31 -1.910 -0.370 1.452 206 HG21 VAL 31 1HG2 VAL 31 -0.683 2.975 1.646 207 HG22 VAL 31 2HG2 VAL 31 -2.131 2.922 0.640 208 HG23 VAL 31 3HG2 VAL 31 -2.180 3.714 2.216 209 H ALA 32 H ALA 32 -5.617 0.717 2.771 210 HA ALA 32 HA ALA 32 -5.797 -1.203 4.774 211 HB1 ALA 32 1HB ALA 32 -7.712 -0.496 3.452 212 HB2 ALA 32 2HB ALA 32 -7.029 -1.268 2.021 213 HB3 ALA 32 3HB ALA 32 -7.532 -2.249 3.397 214 H ALA 33 H ALA 33 -4.194 -2.625 5.132 215 HA ALA 33 HA ALA 33 -3.558 -4.509 2.978 216 HB1 ALA 33 1HB ALA 33 -1.325 -4.174 2.995 217 HB2 ALA 33 2HB ALA 33 -1.795 -2.564 3.538 218 HB3 ALA 33 3HB ALA 33 -1.287 -3.776 4.713 219 HA PRO 34 HA PRO 34 -4.250 -7.518 6.116 220 HB2 PRO 34 1HB PRO 34 -2.907 -9.606 5.017 221 HB3 PRO 34 2HB PRO 34 -4.464 -9.035 4.404 222 HG2 PRO 34 1HG PRO 34 -1.705 -8.474 3.386 223 HG3 PRO 34 2HG PRO 34 -3.177 -8.857 2.474 224 HD2 PRO 34 1HD PRO 34 -2.246 -6.328 2.743 225 HD3 PRO 34 2HD PRO 34 -3.978 -6.699 2.619 226 H SER 35 H SER 35 -2.894 -9.293 7.302 227 HA SER 35 HA SER 35 -0.256 -8.165 7.976 228 HB2 SER 35 1HB SER 35 -0.649 -8.784 10.318 229 HB3 SER 35 2HB SER 35 -1.894 -7.672 9.749 230 HG SER 35 HG SER 35 -2.866 -9.363 10.859 231 H TRP 36 H TRP 36 -2.092 -10.894 7.097 232 HA TRP 36 HA TRP 36 -0.511 -12.963 8.174 233 HB2 TRP 36 1HB TRP 36 -1.562 -14.382 6.432 234 HB3 TRP 36 2HB TRP 36 -2.737 -13.408 7.311 235 HD1 TRP 36 HD TRP 36 -4.030 -11.522 5.959 236 HE1 TRP 36 1HE TRP 36 -4.307 -11.070 3.439 237 HE3 TRP 36 3HE TRP 36 -0.305 -14.537 4.178 238 HZ2 TRP 36 2HZ TRP 36 -3.105 -11.884 1.018 239 HZ3 TRP 36 3HZ TRP 36 0.066 -14.644 1.748 240 HH2 TRP 36 HH TRP 36 -1.307 -13.344 0.203 241 H LEU 37 H LEU 37 0.109 -10.721 5.698 242 HA LEU 37 HA LEU 37 2.307 -12.388 4.663 243 HB2 LEU 37 1HB LEU 37 2.230 -10.745 2.714 244 HB3 LEU 37 2HB LEU 37 0.933 -11.932 2.840 245 HG LEU 37 HG LEU 37 -0.391 -10.045 3.992 246 HD11 LEU 37 1HD1 LEU 37 1.577 -8.566 4.281 247 HD12 LEU 37 2HD1 LEU 37 0.242 -7.800 3.421 248 HD13 LEU 37 3HD1 LEU 37 1.649 -8.379 2.528 249 HD21 LEU 37 1HD2 LEU 37 0.025 -10.754 1.248 250 HD22 LEU 37 2HD2 LEU 37 -0.343 -9.034 1.371 251 HD23 LEU 37 3HD2 LEU 37 -1.452 -10.225 2.052 252 H HIS 38 H HIS 38 2.292 -10.699 7.078 253 HA HIS 38 HA HIS 38 3.620 -8.268 6.683 254 HB2 HIS 38 1HB HIS 38 3.297 -10.159 8.958 255 HB3 HIS 38 2HB HIS 38 4.579 -8.958 9.083 256 HD2 HIS 38 2HD HIS 38 2.037 -7.045 7.289 257 HE1 HIS 38 1HE HIS 38 0.844 -6.726 11.348 258 HE2 HIS 38 2HE HIS 38 0.498 -5.871 9.005 259 H ARG 39 H ARG 39 5.039 -11.404 7.632 260 HA ARG 39 HA ARG 39 7.712 -10.605 7.376 261 HB2 ARG 39 1HB ARG 39 7.573 -12.567 8.544 262 HB3 ARG 39 2HB ARG 39 6.275 -13.198 7.539 263 HG2 ARG 39 1HG ARG 39 7.772 -13.897 5.864 264 HG3 ARG 39 2HG ARG 39 9.095 -12.949 6.543 265 HD2 ARG 39 1HD ARG 39 9.376 -14.418 8.343 266 HD3 ARG 39 2HD ARG 39 7.791 -15.153 8.104 267 HE ARG 39 HE ARG 39 9.060 -15.788 5.826 268 HH11 ARG 39 1HH1 ARG 39 9.988 -16.061 9.170 269 HH12 ARG 39 2HH1 ARG 39 10.984 -17.455 8.916 270 HH21 ARG 39 1HH2 ARG 39 10.368 -17.624 5.478 271 HH22 ARG 39 2HH2 ARG 39 11.201 -18.343 6.814 272 H PHE 40 H PHE 40 5.379 -11.079 4.999 273 HA PHE 40 HA PHE 40 7.323 -11.769 2.926 274 HB2 PHE 40 1HB PHE 40 4.862 -12.715 3.220 275 HB3 PHE 40 2HB PHE 40 4.445 -11.267 2.309 276 HD1 PHE 40 2HD PHE 40 6.171 -10.900 0.229 277 HD2 PHE 40 1HD PHE 40 5.069 -14.620 1.980 278 HE1 PHE 40 2HE PHE 40 6.745 -12.053 -1.868 279 HE2 PHE 40 1HE PHE 40 5.642 -15.779 -0.113 280 HZ PHE 40 HZ PHE 40 6.480 -14.495 -2.041 281 H ILE 41 H ILE 41 5.205 -9.159 3.952 282 HA ILE 41 HA ILE 41 5.685 -7.509 1.668 283 HB ILE 41 HB ILE 41 3.745 -7.423 3.443 284 HG12 ILE 41 1HG1 ILE 41 4.820 -4.775 2.500 285 HG13 ILE 41 2HG1 ILE 41 4.221 -5.972 1.355 286 HG21 ILE 41 1HG2 ILE 41 5.505 -5.276 4.578 287 HG22 ILE 41 2HG2 ILE 41 4.007 -5.938 5.229 288 HG23 ILE 41 3HG2 ILE 41 5.482 -6.905 5.253 289 HD11 ILE 41 1HD1 ILE 41 2.212 -5.098 1.659 290 HD12 ILE 41 2HD1 ILE 41 2.234 -5.782 3.284 291 HD13 ILE 41 3HD1 ILE 41 2.771 -4.124 3.019 292 H ILE 42 H ILE 42 7.366 -8.139 4.607 293 HA ILE 42 HA ILE 42 8.941 -5.699 4.462 294 HB ILE 42 HB ILE 42 9.179 -8.052 6.340 295 HG12 ILE 42 1HG1 ILE 42 7.940 -5.317 6.723 296 HG13 ILE 42 2HG1 ILE 42 7.066 -6.840 6.606 297 HG21 ILE 42 1HG2 ILE 42 10.290 -5.471 7.148 298 HG22 ILE 42 2HG2 ILE 42 10.963 -7.093 7.294 299 HG23 ILE 42 3HG2 ILE 42 11.110 -6.211 5.774 300 HD11 ILE 42 1HD1 ILE 42 8.922 -5.967 8.802 301 HD12 ILE 42 2HD1 ILE 42 7.178 -6.220 8.898 302 HD13 ILE 42 3HD1 ILE 42 8.258 -7.594 8.658 303 H GLY 43 H GLY 43 9.482 -9.210 4.213 304 HA2 GLY 43 1HA GLY 43 10.888 -10.015 2.387 305 HA3 GLY 43 2HA GLY 43 11.906 -8.605 2.639 306 H LYS 44 H LYS 44 13.515 -10.458 2.632 307 HA LYS 44 HA LYS 44 13.646 -11.986 5.090 308 HB2 LYS 44 1HB LYS 44 15.370 -11.845 2.624 309 HB3 LYS 44 2HB LYS 44 15.867 -12.748 4.050 310 HG2 LYS 44 1HG LYS 44 13.485 -13.834 3.781 311 HG3 LYS 44 2HG LYS 44 13.692 -13.311 2.108 312 HD2 LYS 44 1HD LYS 44 15.943 -14.746 3.421 313 HD3 LYS 44 2HD LYS 44 14.525 -15.682 2.942 314 HE2 LYS 44 1HE LYS 44 14.769 -14.573 0.662 315 HE3 LYS 44 2HE LYS 44 16.360 -14.048 1.210 316 HZ1 LYS 44 1HZ LYS 44 15.602 -16.549 0.179 317 HZ2 LYS 44 2HZ LYS 44 16.140 -16.766 1.767 318 HZ3 LYS 44 3HZ LYS 44 17.144 -16.019 0.629 319 H LYS 45 H LYS 45 15.637 -9.524 3.463 320 HA LYS 45 HA LYS 45 16.748 -8.822 6.102 321 HB2 LYS 45 1HB LYS 45 18.135 -8.863 3.418 322 HB3 LYS 45 2HB LYS 45 18.813 -8.103 4.852 323 HG2 LYS 45 1HG LYS 45 19.834 -10.147 4.916 324 HG3 LYS 45 2HG LYS 45 18.418 -10.455 5.924 325 HD2 LYS 45 1HD LYS 45 17.308 -11.195 3.700 326 HD3 LYS 45 2HD LYS 45 18.968 -11.326 3.111 327 HE2 LYS 45 1HE LYS 45 18.235 -13.472 3.934 328 HE3 LYS 45 2HE LYS 45 19.481 -12.829 5.002 329 HZ1 LYS 45 1HZ LYS 45 16.956 -13.694 5.710 330 HZ2 LYS 45 2HZ LYS 45 16.917 -12.012 5.877 331 HZ3 LYS 45 3HZ LYS 45 18.084 -12.917 6.701 332 H GLY 46 H GLY 46 14.406 -7.733 4.728 333 HA2 GLY 46 1HA GLY 46 13.458 -5.643 4.540 334 HA3 GLY 46 2HA GLY 46 14.979 -4.964 5.099 335 H GLN 47 H GLN 47 13.407 -6.350 2.237 336 HA GLN 47 HA GLN 47 15.201 -4.729 0.560 337 HB2 GLN 47 1HB GLN 47 14.602 -6.257 -1.276 338 HB3 GLN 47 2HB GLN 47 15.328 -7.109 0.079 339 HG2 GLN 47 1HG GLN 47 13.118 -7.825 0.822 340 HG3 GLN 47 2HG GLN 47 12.384 -6.961 -0.527 341 HE21 GLN 47 1HE2 GLN 47 12.480 -7.821 -2.567 342 HE22 GLN 47 2HE2 GLN 47 13.031 -9.425 -2.891 343 H ASN 48 H ASN 48 11.821 -5.701 0.990 344 HA ASN 48 HA ASN 48 10.789 -4.010 -1.042 345 HB2 ASN 48 1HB ASN 48 9.613 -5.549 1.240 346 HB3 ASN 48 2HB ASN 48 8.619 -4.352 0.415 347 HD21 ASN 48 1HD2 ASN 48 9.186 -7.500 0.538 348 HD22 ASN 48 2HD2 ASN 48 8.880 -7.954 -1.100 349 H LEU 49 H LEU 49 11.016 -3.675 2.488 350 HA LEU 49 HA LEU 49 9.902 -1.031 2.476 351 HB2 LEU 49 1HB LEU 49 11.140 -2.811 4.530 352 HB3 LEU 49 2HB LEU 49 10.911 -1.099 4.884 353 HG LEU 49 HG LEU 49 8.584 -2.707 3.932 354 HD11 LEU 49 1HD1 LEU 49 9.588 -2.679 6.775 355 HD12 LEU 49 2HD1 LEU 49 9.602 -4.070 5.693 356 HD13 LEU 49 3HD1 LEU 49 8.067 -3.372 6.210 357 HD21 LEU 49 1HD2 LEU 49 8.672 -0.163 4.346 358 HD22 LEU 49 2HD2 LEU 49 8.649 -0.596 6.056 359 HD23 LEU 49 3HD2 LEU 49 7.318 -1.082 5.004 360 H ALA 50 H ALA 50 13.149 -2.319 3.198 361 HA ALA 50 HA ALA 50 14.545 -0.016 3.604 362 HB1 ALA 50 1HB ALA 50 15.599 -2.291 1.934 363 HB2 ALA 50 2HB ALA 50 16.522 -1.171 2.937 364 HB3 ALA 50 3HB ALA 50 15.446 -2.348 3.691 365 H LYS 51 H LYS 51 13.545 -1.366 0.500 366 HA LYS 51 HA LYS 51 14.963 0.460 -1.129 367 HB2 LYS 51 1HB LYS 51 12.745 -1.482 -1.525 368 HB3 LYS 51 2HB LYS 51 12.951 -0.233 -2.746 369 HG2 LYS 51 1HG LYS 51 15.454 -1.012 -2.666 370 HG3 LYS 51 2HG LYS 51 14.744 -2.491 -2.017 371 HD2 LYS 51 1HD LYS 51 13.448 -2.837 -3.964 372 HD3 LYS 51 2HD LYS 51 13.765 -1.203 -4.554 373 HE2 LYS 51 1HE LYS 51 16.240 -1.934 -4.563 374 HE3 LYS 51 2HE LYS 51 15.600 -3.574 -4.473 375 HZ1 LYS 51 1HZ LYS 51 14.714 -1.658 -6.547 376 HZ2 LYS 51 2HZ LYS 51 14.540 -3.340 -6.532 377 HZ3 LYS 51 3HZ LYS 51 16.067 -2.651 -6.766 378 H ILE 52 H ILE 52 11.486 0.334 -0.329 379 HA ILE 52 HA ILE 52 10.741 2.738 -1.483 380 HB ILE 52 HB ILE 52 9.596 1.525 1.035 381 HG12 ILE 52 1HG1 ILE 52 8.528 1.196 -1.761 382 HG13 ILE 52 2HG1 ILE 52 9.737 0.095 -1.108 383 HG21 ILE 52 1HG2 ILE 52 8.854 3.833 -0.620 384 HG22 ILE 52 2HG2 ILE 52 7.531 2.732 -0.238 385 HG23 ILE 52 3HG2 ILE 52 8.468 3.469 1.061 386 HD11 ILE 52 1HD1 ILE 52 7.584 -0.882 -0.821 387 HD12 ILE 52 2HD1 ILE 52 8.180 -0.393 0.765 388 HD13 ILE 52 3HD1 ILE 52 6.964 0.582 -0.059 389 H THR 53 H THR 53 11.559 2.179 1.945 390 HA THR 53 HA THR 53 11.442 4.848 2.757 391 HB THR 53 HB THR 53 13.021 4.109 4.610 392 HG1 THR 53 1HG THR 53 13.723 2.054 4.617 393 HG21 THR 53 1HG2 THR 53 10.507 2.522 4.081 394 HG22 THR 53 2HG2 THR 53 10.627 4.061 4.935 395 HG23 THR 53 3HG2 THR 53 11.333 2.605 5.636 396 H GLN 54 H GLN 54 14.033 3.009 1.264 397 HA GLN 54 HA GLN 54 16.154 4.774 1.738 398 HB2 GLN 54 1HB GLN 54 16.670 2.603 0.924 399 HB3 GLN 54 2HB GLN 54 15.625 2.800 -0.477 400 HG2 GLN 54 1HG GLN 54 17.137 4.151 -1.583 401 HG3 GLN 54 2HG GLN 54 17.976 4.600 -0.099 402 HE21 GLN 54 1HE2 GLN 54 19.975 4.049 -0.966 403 HE22 GLN 54 2HE2 GLN 54 20.459 2.406 -1.189 404 H GLN 55 H GLN 55 13.874 4.595 -0.979 405 HA GLN 55 HA GLN 55 14.996 6.909 -2.264 406 HB2 GLN 55 1HB GLN 55 13.973 5.121 -3.585 407 HB3 GLN 55 2HB GLN 55 12.426 5.409 -2.800 408 HG2 GLN 55 1HG GLN 55 12.447 6.398 -4.999 409 HG3 GLN 55 2HG GLN 55 12.360 7.655 -3.766 410 HE21 GLN 55 1HE2 GLN 55 13.351 9.347 -4.632 411 HE22 GLN 55 2HE2 GLN 55 14.939 9.342 -5.311 412 H MET 56 H MET 56 12.300 6.225 -0.132 413 HA MET 56 HA MET 56 11.762 9.117 0.006 414 HB2 MET 56 1HB MET 56 9.768 6.850 0.089 415 HB3 MET 56 2HB MET 56 9.379 8.512 0.508 416 HG2 MET 56 1HG MET 56 8.687 8.432 -1.666 417 HG3 MET 56 2HG MET 56 10.332 9.036 -1.857 418 HE1 MET 56 1HE MET 56 8.450 5.465 -3.693 419 HE2 MET 56 2HE MET 56 8.382 5.332 -1.936 420 HE3 MET 56 3HE MET 56 7.740 6.766 -2.738 421 HA PRO 57 HA PRO 57 12.968 7.559 4.189 422 HB2 PRO 57 1HB PRO 57 14.485 9.726 4.801 423 HB3 PRO 57 2HB PRO 57 15.111 8.336 3.906 424 HG2 PRO 57 1HG PRO 57 14.157 10.980 2.876 425 HG3 PRO 57 2HG PRO 57 15.580 10.038 2.392 426 HD2 PRO 57 1HD PRO 57 13.287 10.054 0.953 427 HD3 PRO 57 2HD PRO 57 14.349 8.634 1.042 428 H LYS 58 H LYS 58 11.639 10.556 2.986 429 HA LYS 58 HA LYS 58 10.912 11.684 5.483 430 HB2 LYS 58 1HB LYS 58 10.039 12.135 2.645 431 HB3 LYS 58 2HB LYS 58 9.206 12.936 3.970 432 HG2 LYS 58 1HG LYS 58 11.673 13.602 4.644 433 HG3 LYS 58 2HG LYS 58 11.949 13.352 2.918 434 HD2 LYS 58 1HD LYS 58 11.353 15.554 2.879 435 HD3 LYS 58 2HD LYS 58 9.751 14.828 2.736 436 HE2 LYS 58 1HE LYS 58 9.335 16.284 4.435 437 HE3 LYS 58 2HE LYS 58 9.895 14.908 5.383 438 HZ1 LYS 58 1HZ LYS 58 11.930 15.897 5.772 439 HZ2 LYS 58 2HZ LYS 58 10.879 17.219 5.849 440 HZ3 LYS 58 3HZ LYS 58 11.804 16.954 4.458 441 H VAL 59 H VAL 59 9.404 9.362 3.353 442 HA VAL 59 HA VAL 59 6.859 9.446 4.713 443 HB VAL 59 HB VAL 59 7.905 7.457 2.693 444 HG11 VAL 59 1HG1 VAL 59 5.631 6.735 2.431 445 HG12 VAL 59 2HG1 VAL 59 6.059 6.625 4.139 446 HG13 VAL 59 3HG1 VAL 59 5.063 7.962 3.561 447 HG21 VAL 59 1HG2 VAL 59 7.818 9.587 1.653 448 HG22 VAL 59 2HG2 VAL 59 6.365 8.724 1.149 449 HG23 VAL 59 3HG2 VAL 59 6.267 9.965 2.399 450 H HIS 60 H HIS 60 6.465 8.475 6.579 451 HA HIS 60 HA HIS 60 8.250 6.350 7.501 452 HB2 HIS 60 1HB HIS 60 6.429 8.298 8.827 453 HB3 HIS 60 2HB HIS 60 6.692 6.753 9.631 454 HD1 HIS 60 1HD HIS 60 9.686 6.366 9.067 455 HD2 HIS 60 2HD HIS 60 7.996 9.954 10.309 456 HE1 HIS 60 1HE HIS 60 11.559 7.656 10.139 457 H ILE 61 H ILE 61 7.681 4.295 7.308 458 HA ILE 61 HA ILE 61 4.846 3.644 6.897 459 HB ILE 61 HB ILE 61 7.279 1.958 6.297 460 HG12 ILE 61 1HG1 ILE 61 5.448 3.443 4.401 461 HG13 ILE 61 2HG1 ILE 61 7.058 3.982 4.863 462 HG21 ILE 61 1HG2 ILE 61 5.923 0.254 5.800 463 HG22 ILE 61 2HG2 ILE 61 4.703 1.122 6.731 464 HG23 ILE 61 3HG2 ILE 61 4.766 1.300 4.977 465 HD11 ILE 61 1HD1 ILE 61 6.255 2.068 2.862 466 HD12 ILE 61 2HD1 ILE 61 7.808 2.868 3.103 467 HD13 ILE 61 3HD1 ILE 61 7.435 1.385 3.981 468 H GLU 62 H GLU 62 3.759 2.739 8.506 469 HA GLU 62 HA GLU 62 5.267 1.269 10.569 470 HB2 GLU 62 1HB GLU 62 4.196 3.453 11.275 471 HB3 GLU 62 2HB GLU 62 2.638 2.691 10.986 472 HG2 GLU 62 1HG GLU 62 2.909 1.188 12.745 473 HG3 GLU 62 2HG GLU 62 4.649 1.454 12.825 474 H PHE 63 H PHE 63 4.619 -0.746 11.097 475 HA PHE 63 HA PHE 63 2.275 -1.806 9.665 476 HB2 PHE 63 1HB PHE 63 4.961 -2.934 10.267 477 HB3 PHE 63 2HB PHE 63 3.597 -4.047 10.282 478 HD1 PHE 63 2HD PHE 63 2.006 -3.855 8.189 479 HD2 PHE 63 1HD PHE 63 6.065 -2.577 8.289 480 HE1 PHE 63 2HE PHE 63 2.115 -4.022 5.737 481 HE2 PHE 63 1HE PHE 63 6.180 -2.741 5.836 482 HZ PHE 63 HZ PHE 63 4.204 -3.465 4.558 483 H THR 64 H THR 64 0.580 -2.268 10.884 484 HA THR 64 HA THR 64 1.028 -2.983 13.709 485 HB THR 64 HB THR 64 -1.366 -1.572 12.513 486 HG1 THR 64 1HG THR 64 0.397 -0.525 14.463 487 HG21 THR 64 1HG2 THR 64 -1.893 -1.261 15.009 488 HG22 THR 64 2HG2 THR 64 -0.770 -2.594 15.275 489 HG23 THR 64 3HG2 THR 64 -2.213 -2.840 14.294 490 H GLU 65 H GLU 65 0.144 -4.826 14.467 491 HA GLU 65 HA GLU 65 -0.798 -6.777 12.651 492 HB2 GLU 65 1HB GLU 65 0.412 -7.326 14.731 493 HB3 GLU 65 2HB GLU 65 -0.961 -6.758 15.670 494 HG2 GLU 65 1HG GLU 65 -1.151 -9.088 15.635 495 HG3 GLU 65 2HG GLU 65 -2.336 -8.506 14.465 496 H GLY 66 H GLY 66 -2.555 -5.723 15.559 497 HA2 GLY 66 1HA GLY 66 -5.061 -6.551 14.851 498 HA3 GLY 66 2HA GLY 66 -4.764 -5.141 15.857 499 H GLU 67 H GLU 67 -4.194 -3.109 14.597 500 HA GLU 67 HA GLU 67 -6.258 -2.183 13.135 501 HB2 GLU 67 1HB GLU 67 -3.373 -1.456 12.598 502 HB3 GLU 67 2HB GLU 67 -4.780 -0.475 12.210 503 HG2 GLU 67 1HG GLU 67 -5.285 -0.210 14.560 504 HG3 GLU 67 2HG GLU 67 -3.939 -1.265 14.990 505 H ASP 68 H ASP 68 -3.766 -4.312 12.005 506 HA ASP 68 HA ASP 68 -3.321 -5.260 9.973 507 HB2 ASP 68 1HB ASP 68 -5.308 -6.148 8.815 508 HB3 ASP 68 2HB ASP 68 -5.395 -6.410 10.555 509 H LYS 69 H LYS 69 -2.804 -2.623 9.804 510 HA LYS 69 HA LYS 69 -3.323 -2.090 7.012 511 HB2 LYS 69 1HB LYS 69 -4.457 -0.060 7.214 512 HB3 LYS 69 2HB LYS 69 -5.243 -1.079 8.413 513 HG2 LYS 69 1HG LYS 69 -3.874 -0.055 10.169 514 HG3 LYS 69 2HG LYS 69 -3.117 0.984 8.959 515 HD2 LYS 69 1HD LYS 69 -5.070 2.199 8.601 516 HD3 LYS 69 2HD LYS 69 -6.097 0.931 9.276 517 HE2 LYS 69 1HE LYS 69 -5.234 1.397 11.503 518 HE3 LYS 69 2HE LYS 69 -4.156 2.627 10.845 519 HZ1 LYS 69 1HZ LYS 69 -7.019 2.882 10.300 520 HZ2 LYS 69 2HZ LYS 69 -5.855 4.085 10.536 521 HZ3 LYS 69 3HZ LYS 69 -6.482 3.243 11.863 522 H ILE 70 H ILE 70 -2.058 -0.228 6.218 523 HA ILE 70 HA ILE 70 0.422 0.046 7.772 524 HB ILE 70 HB ILE 70 -0.044 0.459 4.817 525 HG12 ILE 70 1HG1 ILE 70 1.515 -1.703 6.246 526 HG13 ILE 70 2HG1 ILE 70 -0.117 -1.909 5.620 527 HG21 ILE 70 1HG2 ILE 70 2.701 0.190 5.486 528 HG22 ILE 70 2HG2 ILE 70 1.875 1.565 4.755 529 HG23 ILE 70 3HG2 ILE 70 2.004 1.444 6.510 530 HD11 ILE 70 1HD1 ILE 70 2.157 -1.070 3.859 531 HD12 ILE 70 2HD1 ILE 70 1.802 -2.765 4.198 532 HD13 ILE 70 3HD1 ILE 70 0.598 -1.753 3.400 533 H THR 71 H THR 71 0.774 1.915 8.750 534 HA THR 71 HA THR 71 -0.769 4.265 7.990 535 HB THR 71 HB THR 71 1.170 3.991 10.291 536 HG1 THR 71 1HG THR 71 -1.614 3.862 10.631 537 HG21 THR 71 1HG2 THR 71 -0.418 5.811 11.197 538 HG22 THR 71 2HG2 THR 71 -0.915 6.006 9.516 539 HG23 THR 71 3HG2 THR 71 0.766 6.271 9.974 540 H LEU 72 H LEU 72 0.027 5.946 6.895 541 HA LEU 72 HA LEU 72 2.939 6.062 6.467 542 HB2 LEU 72 1HB LEU 72 0.657 6.749 4.634 543 HB3 LEU 72 2HB LEU 72 2.309 7.283 4.335 544 HG LEU 72 HG LEU 72 1.882 5.363 2.980 545 HD11 LEU 72 1HD1 LEU 72 3.470 4.308 5.298 546 HD12 LEU 72 2HD1 LEU 72 4.080 5.585 4.247 547 HD13 LEU 72 3HD1 LEU 72 3.693 4.001 3.576 548 HD21 LEU 72 1HD2 LEU 72 0.751 3.511 3.604 549 HD22 LEU 72 2HD2 LEU 72 0.089 4.595 4.828 550 HD23 LEU 72 3HD2 LEU 72 1.423 3.515 5.235 551 H GLU 73 H GLU 73 3.986 7.973 6.763 552 HA GLU 73 HA GLU 73 2.371 10.341 7.406 553 HB2 GLU 73 1HB GLU 73 4.721 9.322 9.012 554 HB3 GLU 73 2HB GLU 73 3.915 10.862 9.269 555 HG2 GLU 73 1HG GLU 73 2.076 9.905 10.215 556 HG3 GLU 73 2HG GLU 73 2.264 8.397 9.324 557 H GLY 74 H GLY 74 2.979 12.059 6.270 558 HA2 GLY 74 1HA GLY 74 5.399 13.193 5.930 559 HA3 GLY 74 2HA GLY 74 5.406 11.947 4.691 560 HA PRO 75 HA PRO 75 3.532 15.841 2.949 561 HB2 PRO 75 1HB PRO 75 5.115 15.919 0.745 562 HB3 PRO 75 2HB PRO 75 5.572 16.661 2.283 563 HG2 PRO 75 1HG PRO 75 6.401 14.025 1.130 564 HG3 PRO 75 2HG PRO 75 7.387 15.242 1.961 565 HD2 PRO 75 1HD PRO 75 6.484 13.009 3.197 566 HD3 PRO 75 2HD PRO 75 6.708 14.549 4.051 567 H THR 76 H THR 76 1.721 15.567 1.820 568 HA THR 76 HA THR 76 0.721 13.293 0.759 569 HB THR 76 HB THR 76 -0.676 15.241 0.929 570 HG1 THR 76 1HG THR 76 -0.552 14.792 -1.860 571 HG21 THR 76 1HG2 THR 76 1.296 16.410 -0.988 572 HG22 THR 76 2HG2 THR 76 0.590 17.114 0.467 573 HG23 THR 76 3HG2 THR 76 -0.370 16.986 -1.006 574 H GLU 77 H GLU 77 3.079 15.390 -0.728 575 HA GLU 77 HA GLU 77 2.893 14.473 -3.375 576 HB2 GLU 77 1HB GLU 77 4.146 16.495 -2.662 577 HB3 GLU 77 2HB GLU 77 5.360 15.456 -1.931 578 HG2 GLU 77 1HG GLU 77 6.080 14.648 -4.013 579 HG3 GLU 77 2HG GLU 77 4.656 15.275 -4.840 580 H ASP 78 H ASP 78 5.089 13.461 -0.759 581 HA ASP 78 HA ASP 78 6.109 11.258 -2.305 582 HB2 ASP 78 1HB ASP 78 6.476 11.995 0.606 583 HB3 ASP 78 2HB ASP 78 7.330 10.688 -0.211 584 H VAL 79 H VAL 79 3.976 11.627 0.506 585 HA VAL 79 HA VAL 79 3.522 9.020 1.199 586 HB VAL 79 HB VAL 79 1.446 11.212 1.049 587 HG11 VAL 79 1HG1 VAL 79 1.381 8.443 2.081 588 HG12 VAL 79 2HG1 VAL 79 0.653 9.685 3.103 589 HG13 VAL 79 3HG1 VAL 79 0.080 9.451 1.450 590 HG21 VAL 79 1HG2 VAL 79 2.748 10.400 3.588 591 HG22 VAL 79 2HG2 VAL 79 3.699 11.362 2.456 592 HG23 VAL 79 3HG2 VAL 79 2.165 11.982 3.068 593 H SER 80 H SER 80 2.043 10.818 -1.465 594 HA SER 80 HA SER 80 0.184 8.865 -2.248 595 HB2 SER 80 1HB SER 80 1.557 11.066 -3.797 596 HB3 SER 80 2HB SER 80 0.303 10.042 -4.497 597 HG SER 80 HG SER 80 -1.121 10.792 -2.905 598 H VAL 81 H VAL 81 3.563 9.376 -3.126 599 HA VAL 81 HA VAL 81 3.643 7.363 -5.139 600 HB VAL 81 HB VAL 81 5.897 8.592 -3.546 601 HG11 VAL 81 1HG1 VAL 81 7.422 7.637 -5.039 602 HG12 VAL 81 2HG1 VAL 81 6.294 6.327 -4.683 603 HG13 VAL 81 3HG1 VAL 81 6.162 7.218 -6.200 604 HG21 VAL 81 1HG2 VAL 81 4.395 10.058 -5.037 605 HG22 VAL 81 2HG2 VAL 81 6.142 10.167 -5.246 606 HG23 VAL 81 3HG2 VAL 81 5.174 9.230 -6.384 607 H ALA 82 H ALA 82 5.029 7.435 -1.850 608 HA ALA 82 HA ALA 82 5.862 4.795 -1.730 609 HB1 ALA 82 1HB ALA 82 4.822 5.750 0.813 610 HB2 ALA 82 2HB ALA 82 6.470 5.323 0.350 611 HB3 ALA 82 3HB ALA 82 5.845 6.935 0.001 612 H GLN 83 H GLN 83 2.768 6.157 -0.598 613 HA GLN 83 HA GLN 83 1.616 3.777 0.276 614 HB2 GLN 83 1HB GLN 83 -0.388 4.942 0.421 615 HB3 GLN 83 2HB GLN 83 0.802 6.233 0.506 616 HG2 GLN 83 1HG GLN 83 0.423 6.842 -1.758 617 HG3 GLN 83 2HG GLN 83 -0.560 5.407 -2.042 618 HE21 GLN 83 1HE2 GLN 83 -2.687 5.497 -1.665 619 HE22 GLN 83 2HE2 GLN 83 -3.513 6.849 -0.978 620 H GLU 84 H GLU 84 1.740 5.208 -2.941 621 HA GLU 84 HA GLU 84 -0.074 3.420 -4.172 622 HB2 GLU 84 1HB GLU 84 0.650 5.619 -5.118 623 HB3 GLU 84 2HB GLU 84 2.217 4.903 -5.468 624 HG2 GLU 84 1HG GLU 84 -0.400 3.919 -6.579 625 HG3 GLU 84 2HG GLU 84 0.711 4.998 -7.420 626 H GLN 85 H GLN 85 3.425 3.367 -3.711 627 HA GLN 85 HA GLN 85 4.007 1.159 -5.334 628 HB2 GLN 85 1HB GLN 85 5.361 2.364 -2.938 629 HB3 GLN 85 2HB GLN 85 5.992 0.907 -3.693 630 HG2 GLN 85 1HG GLN 85 6.141 2.134 -5.835 631 HG3 GLN 85 2HG GLN 85 5.628 3.596 -4.993 632 HE21 GLN 85 1HE2 GLN 85 7.937 3.740 -6.282 633 HE22 GLN 85 2HE2 GLN 85 9.277 3.713 -5.192 634 H ILE 86 H ILE 86 2.954 1.375 -1.979 635 HA ILE 86 HA ILE 86 3.305 -1.379 -1.373 636 HB ILE 86 HB ILE 86 1.465 0.625 -0.062 637 HG12 ILE 86 1HG1 ILE 86 4.265 -0.232 0.700 638 HG13 ILE 86 2HG1 ILE 86 3.852 1.297 -0.069 639 HG21 ILE 86 1HG2 ILE 86 2.484 -2.052 0.876 640 HG22 ILE 86 2HG2 ILE 86 1.611 -0.898 1.882 641 HG23 ILE 86 3HG2 ILE 86 0.815 -1.630 0.489 642 HD11 ILE 86 1HD1 ILE 86 3.697 0.508 2.718 643 HD12 ILE 86 2HD1 ILE 86 3.737 2.115 1.991 644 HD13 ILE 86 3HD1 ILE 86 2.208 1.247 2.128 645 H GLU 87 H GLU 87 0.536 0.545 -2.458 646 HA GLU 87 HA GLU 87 -1.468 -1.351 -2.263 647 HB2 GLU 87 1HB GLU 87 -1.031 0.879 -4.240 648 HB3 GLU 87 2HB GLU 87 -2.474 -0.124 -4.272 649 HG2 GLU 87 1HG GLU 87 -2.682 0.538 -1.775 650 HG3 GLU 87 2HG GLU 87 -1.590 1.849 -2.216 651 H GLY 88 H GLY 88 1.055 -1.012 -4.676 652 HA2 GLY 88 1HA GLY 88 -0.060 -2.878 -6.531 653 HA3 GLY 88 2HA GLY 88 1.592 -2.278 -6.525 654 H MET 89 H MET 89 2.667 -3.128 -4.245 655 HA MET 89 HA MET 89 3.187 -5.845 -4.714 656 HB2 MET 89 1HB MET 89 4.644 -5.752 -2.884 657 HB3 MET 89 2HB MET 89 4.626 -4.100 -3.488 658 HG2 MET 89 1HG MET 89 3.175 -3.395 -1.736 659 HG3 MET 89 2HG MET 89 2.912 -5.057 -1.213 660 HE1 MET 89 1HE MET 89 5.860 -2.007 -0.646 661 HE2 MET 89 2HE MET 89 6.986 -3.170 -1.345 662 HE3 MET 89 3HE MET 89 5.544 -2.691 -2.241 663 H VAL 90 H VAL 90 0.922 -4.233 -2.585 664 HA VAL 90 HA VAL 90 0.250 -6.525 -1.034 665 HB VAL 90 HB VAL 90 -1.145 -3.894 -1.481 666 HG11 VAL 90 1HG1 VAL 90 -2.573 -4.645 0.496 667 HG12 VAL 90 2HG1 VAL 90 -2.952 -5.338 -1.082 668 HG13 VAL 90 3HG1 VAL 90 -2.047 -6.281 0.102 669 HG21 VAL 90 1HG2 VAL 90 0.300 -5.096 0.876 670 HG22 VAL 90 2HG2 VAL 90 0.865 -3.774 -0.145 671 HG23 VAL 90 3HG2 VAL 90 -0.545 -3.549 0.893 672 H LYS 91 H LYS 91 -1.165 -4.988 -3.892 673 HA LYS 91 HA LYS 91 -3.383 -6.769 -4.063 674 HB2 LYS 91 1HB LYS 91 -3.063 -4.406 -5.104 675 HB3 LYS 91 2HB LYS 91 -2.272 -5.272 -6.415 676 HG2 LYS 91 1HG LYS 91 -4.240 -6.432 -6.976 677 HG3 LYS 91 2HG LYS 91 -5.034 -5.972 -5.468 678 HD2 LYS 91 1HD LYS 91 -6.009 -4.512 -6.962 679 HD3 LYS 91 2HD LYS 91 -4.667 -3.542 -6.354 680 HE2 LYS 91 1HE LYS 91 -4.675 -3.290 -8.711 681 HE3 LYS 91 2HE LYS 91 -3.329 -4.358 -8.323 682 HZ1 LYS 91 1HZ LYS 91 -4.982 -4.941 -10.233 683 HZ2 LYS 91 2HZ LYS 91 -5.931 -5.545 -8.971 684 HZ3 LYS 91 3HZ LYS 91 -4.376 -6.159 -9.227 685 H ASP 92 H ASP 92 -0.100 -6.835 -5.198 686 HA ASP 92 HA ASP 92 -0.479 -8.879 -7.159 687 HB2 ASP 92 1HB ASP 92 1.445 -7.201 -7.035 688 HB3 ASP 92 2HB ASP 92 2.118 -8.229 -5.773 689 H LEU 93 H LEU 93 0.646 -8.832 -3.799 690 HA LEU 93 HA LEU 93 1.320 -11.540 -3.584 691 HB2 LEU 93 1HB LEU 93 0.573 -9.395 -1.662 692 HB3 LEU 93 2HB LEU 93 0.621 -11.059 -1.085 693 HG LEU 93 HG LEU 93 2.969 -9.789 -2.466 694 HD11 LEU 93 1HD1 LEU 93 3.466 -8.555 -0.694 695 HD12 LEU 93 2HD1 LEU 93 3.287 -9.944 0.377 696 HD13 LEU 93 3HD1 LEU 93 1.886 -8.949 -0.018 697 HD21 LEU 93 1HD2 LEU 93 2.589 -12.349 -1.984 698 HD22 LEU 93 2HD2 LEU 93 3.113 -11.892 -0.363 699 HD23 LEU 93 3HD2 LEU 93 4.169 -11.600 -1.747 700 H ILE 94 H ILE 94 -1.735 -9.871 -2.883 701 HA ILE 94 HA ILE 94 -3.123 -12.215 -2.075 702 HB ILE 94 HB ILE 94 -4.191 -9.567 -3.056 703 HG12 ILE 94 1HG1 ILE 94 -4.301 -10.487 -0.218 704 HG13 ILE 94 2HG1 ILE 94 -2.769 -9.886 -0.843 705 HG21 ILE 94 1HG2 ILE 94 -5.653 -11.769 -1.606 706 HG22 ILE 94 2HG2 ILE 94 -6.322 -10.223 -2.125 707 HG23 ILE 94 3HG2 ILE 94 -5.809 -11.410 -3.326 708 HD11 ILE 94 1HD1 ILE 94 -5.056 -8.431 0.053 709 HD12 ILE 94 2HD1 ILE 94 -3.462 -7.835 -0.410 710 HD13 ILE 94 3HD1 ILE 94 -4.719 -8.033 -1.631 711 H ASN 95 H ASN 95 -2.654 -10.595 -5.151 712 HA ASN 95 HA ASN 95 -4.642 -12.026 -6.586 713 HB2 ASN 95 1HB ASN 95 -2.250 -10.389 -7.379 714 HB3 ASN 95 2HB ASN 95 -3.159 -11.287 -8.591 715 HD21 ASN 95 1HD2 ASN 95 -3.108 -8.724 -9.017 716 HD22 ASN 95 2HD2 ASN 95 -4.585 -7.946 -8.571 717 H ARG 96 H ARG 96 -1.283 -12.635 -5.813 718 HA ARG 96 HA ARG 96 -1.189 -14.969 -7.552 719 HB2 ARG 96 1HB ARG 96 1.141 -15.114 -6.976 720 HB3 ARG 96 2HB ARG 96 0.766 -13.435 -7.344 721 HG2 ARG 96 1HG ARG 96 0.611 -12.972 -4.926 722 HG3 ARG 96 2HG ARG 96 1.090 -14.640 -4.606 723 HD2 ARG 96 1HD ARG 96 2.708 -12.546 -6.052 724 HD3 ARG 96 2HD ARG 96 3.009 -13.170 -4.430 725 HE ARG 96 HE ARG 96 3.634 -14.461 -6.940 726 HH11 ARG 96 1HH1 ARG 96 3.180 -14.836 -3.509 727 HH12 ARG 96 2HH1 ARG 96 4.116 -16.291 -3.412 728 HH21 ARG 96 1HH2 ARG 96 4.868 -16.376 -6.826 729 HH22 ARG 96 2HH2 ARG 96 5.075 -17.166 -5.300 730 H SER 97 H SER 97 -1.658 -14.154 -4.219 731 HA SER 97 HA SER 97 -1.183 -16.850 -3.274 732 HB2 SER 97 1HB SER 97 -0.562 -15.143 -1.736 733 HB3 SER 97 2HB SER 97 -2.107 -14.314 -1.922 734 HG SER 97 HG SER 97 -2.802 -15.487 -0.339 735 H GLY 98 H GLY 98 -2.683 -18.207 -4.164 736 HA2 GLY 98 1HA GLY 98 -5.329 -18.117 -3.031 737 HA3 GLY 98 2HA GLY 98 -5.311 -17.807 -4.761 738 HA PRO 99 HA PRO 99 -3.782 -22.358 -3.952 739 HB2 PRO 99 1HB PRO 99 -4.611 -23.409 -1.590 740 HB3 PRO 99 2HB PRO 99 -3.056 -22.593 -1.785 741 HG2 PRO 99 1HG PRO 99 -5.624 -21.533 -0.671 742 HG3 PRO 99 2HG PRO 99 -3.970 -21.318 -0.069 743 HD2 PRO 99 1HD PRO 99 -5.256 -19.418 -1.507 744 HD3 PRO 99 2HD PRO 99 -3.498 -19.653 -1.591 745 H SER 100 H SER 100 -6.824 -21.431 -2.351 746 HA SER 100 HA SER 100 -8.306 -23.015 -4.294 747 HB2 SER 100 1HB SER 100 -9.626 -24.153 -2.540 748 HB3 SER 100 2HB SER 100 -7.922 -24.604 -2.475 749 HG SER 100 HG SER 100 -9.430 -23.497 -0.568 750 H SER 101 H SER 101 -10.753 -22.736 -3.844 751 HA SER 101 HA SER 101 -11.196 -19.879 -3.339 752 HB2 SER 101 1HB SER 101 -12.781 -21.930 -4.892 753 HB3 SER 101 2HB SER 101 -13.386 -20.310 -4.545 754 HG SER 101 HG SER 101 -12.331 -20.478 -6.595 755 H GLY 102 H GLY 102 -12.611 -19.150 -1.822 756 HA2 GLY 102 1HA GLY 102 -14.762 -20.104 -0.628 757 HA3 GLY 102 2HA GLY 102 -13.542 -21.127 0.117 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -51.276 41.125 -51.295 2 HA2 GLY 1 1HA GLY 1 -51.579 39.929 -48.724 3 HA3 GLY 1 2HA GLY 1 -50.986 38.762 -49.897 4 H SER 2 H SER 2 -49.603 39.704 -47.569 5 HA SER 2 HA SER 2 -47.084 40.300 -48.756 6 HB2 SER 2 1HB SER 2 -46.682 42.491 -47.854 7 HB3 SER 2 2HB SER 2 -48.195 42.563 -48.758 8 HG SER 2 HG SER 2 -48.832 43.442 -46.929 9 H SER 3 H SER 3 -45.353 40.481 -47.119 10 HA SER 3 HA SER 3 -45.866 39.947 -44.379 11 HB2 SER 3 1HB SER 3 -45.404 37.641 -46.212 12 HB3 SER 3 2HB SER 3 -44.626 37.604 -44.629 13 HG SER 3 HG SER 3 -46.906 38.219 -43.912 14 H GLY 4 H GLY 4 -43.764 39.229 -43.251 15 HA2 GLY 4 1HA GLY 4 -41.299 39.736 -44.628 16 HA3 GLY 4 2HA GLY 4 -41.789 41.090 -43.620 17 H SER 5 H SER 5 -39.452 40.024 -42.991 18 HA SER 5 HA SER 5 -39.801 39.149 -40.324 19 HB2 SER 5 1HB SER 5 -40.212 37.041 -41.845 20 HB3 SER 5 2HB SER 5 -38.451 37.029 -41.953 21 HG SER 5 HG SER 5 -38.427 36.186 -40.042 22 H SER 6 H SER 6 -37.735 38.790 -39.220 23 HA SER 6 HA SER 6 -35.265 39.279 -40.554 24 HB2 SER 6 1HB SER 6 -36.538 41.579 -40.357 25 HB3 SER 6 2HB SER 6 -35.976 41.511 -38.687 26 HG SER 6 HG SER 6 -33.839 41.024 -39.787 27 H GLY 7 H GLY 7 -33.457 39.084 -39.168 28 HA2 GLY 7 1HA GLY 7 -33.773 38.820 -36.330 29 HA3 GLY 7 2HA GLY 7 -33.618 37.262 -37.129 30 H GLU 8 H GLU 8 -31.775 38.101 -35.250 31 HA GLU 8 HA GLU 8 -29.387 38.449 -36.930 32 HB2 GLU 8 1HB GLU 8 -28.374 39.911 -35.326 33 HB3 GLU 8 2HB GLU 8 -29.961 40.559 -35.715 34 HG2 GLU 8 1HG GLU 8 -30.022 40.781 -33.464 35 HG3 GLU 8 2HG GLU 8 -30.662 39.144 -33.599 36 HA PRO 9 HA PRO 9 -27.991 34.793 -34.908 37 HB2 PRO 9 1HB PRO 9 -25.338 35.021 -35.439 38 HB3 PRO 9 2HB PRO 9 -26.528 34.568 -36.665 39 HG2 PRO 9 1HG PRO 9 -25.276 37.235 -36.135 40 HG3 PRO 9 2HG PRO 9 -25.583 36.432 -37.686 41 HD2 PRO 9 1HD PRO 9 -27.189 38.384 -36.713 42 HD3 PRO 9 2HD PRO 9 -27.805 37.049 -37.709 43 H GLU 10 H GLU 10 -25.825 34.253 -33.534 44 HA GLU 10 HA GLU 10 -25.445 36.369 -31.535 45 HB2 GLU 10 1HB GLU 10 -26.221 33.505 -30.966 46 HB3 GLU 10 2HB GLU 10 -25.623 34.620 -29.744 47 HG2 GLU 10 1HG GLU 10 -28.031 35.247 -31.415 48 HG3 GLU 10 2HG GLU 10 -28.140 34.305 -29.929 49 H LYS 11 H LYS 11 -23.389 36.626 -30.934 50 HA LYS 11 HA LYS 11 -21.457 34.547 -31.725 51 HB2 LYS 11 1HB LYS 11 -21.053 37.527 -31.398 52 HB3 LYS 11 2HB LYS 11 -19.784 36.377 -31.796 53 HG2 LYS 11 1HG LYS 11 -20.336 37.240 -33.858 54 HG3 LYS 11 2HG LYS 11 -21.304 35.764 -33.800 55 HD2 LYS 11 1HD LYS 11 -23.261 37.038 -33.151 56 HD3 LYS 11 2HD LYS 11 -22.306 38.522 -33.090 57 HE2 LYS 11 1HE LYS 11 -22.519 36.876 -35.593 58 HE3 LYS 11 2HE LYS 11 -23.725 38.094 -35.180 59 HZ1 LYS 11 1HZ LYS 11 -22.278 39.308 -36.440 60 HZ2 LYS 11 2HZ LYS 11 -20.913 38.447 -35.936 61 HZ3 LYS 11 3HZ LYS 11 -21.624 39.585 -34.905 62 H LEU 12 H LEU 12 -19.903 33.869 -30.286 63 HA LEU 12 HA LEU 12 -19.681 35.103 -27.676 64 HB2 LEU 12 1HB LEU 12 -20.658 32.268 -27.987 65 HB3 LEU 12 2HB LEU 12 -20.173 33.015 -26.466 66 HG LEU 12 HG LEU 12 -22.430 34.111 -28.121 67 HD11 LEU 12 1HD1 LEU 12 -23.390 32.087 -27.767 68 HD12 LEU 12 2HD1 LEU 12 -23.741 32.816 -26.200 69 HD13 LEU 12 3HD1 LEU 12 -22.371 31.720 -26.375 70 HD21 LEU 12 1HD2 LEU 12 -21.148 34.770 -25.620 71 HD22 LEU 12 2HD2 LEU 12 -22.868 34.449 -25.391 72 HD23 LEU 12 3HD2 LEU 12 -22.344 35.677 -26.545 73 H GLY 13 H GLY 13 -17.818 34.483 -26.538 74 HA2 GLY 13 1HA GLY 13 -16.127 32.351 -27.318 75 HA3 GLY 13 2HA GLY 13 -15.579 33.844 -28.066 76 H GLN 14 H GLN 14 -15.523 31.926 -25.279 77 HA GLN 14 HA GLN 14 -13.896 33.933 -23.919 78 HB2 GLN 14 1HB GLN 14 -15.025 33.634 -21.799 79 HB3 GLN 14 2HB GLN 14 -16.185 34.162 -23.011 80 HG2 GLN 14 1HG GLN 14 -17.208 32.079 -23.123 81 HG3 GLN 14 2HG GLN 14 -15.831 31.259 -22.387 82 HE21 GLN 14 1HE2 GLN 14 -18.415 30.868 -21.503 83 HE22 GLN 14 2HE2 GLN 14 -18.581 31.531 -19.917 84 H ALA 15 H ALA 15 -12.539 33.034 -22.232 85 HA ALA 15 HA ALA 15 -12.293 30.126 -22.183 86 HB1 ALA 15 1HB ALA 15 -9.767 30.429 -22.531 87 HB2 ALA 15 2HB ALA 15 -10.816 30.507 -23.947 88 HB3 ALA 15 3HB ALA 15 -10.191 31.992 -23.229 89 H LEU 16 H LEU 16 -11.656 29.364 -20.243 90 HA LEU 16 HA LEU 16 -10.678 31.320 -18.269 91 HB2 LEU 16 1HB LEU 16 -11.805 29.812 -16.573 92 HB3 LEU 16 2HB LEU 16 -12.855 30.799 -17.588 93 HG LEU 16 HG LEU 16 -13.117 28.707 -19.039 94 HD11 LEU 16 1HD1 LEU 16 -11.696 27.067 -18.469 95 HD12 LEU 16 2HD1 LEU 16 -12.889 26.708 -17.221 96 HD13 LEU 16 3HD1 LEU 16 -11.474 27.687 -16.832 97 HD21 LEU 16 1HD2 LEU 16 -15.106 28.689 -18.062 98 HD22 LEU 16 2HD2 LEU 16 -14.448 29.617 -16.714 99 HD23 LEU 16 3HD2 LEU 16 -14.432 27.854 -16.663 100 H THR 17 H THR 17 -9.464 30.317 -16.447 101 HA THR 17 HA THR 17 -8.094 27.830 -17.172 102 HB THR 17 HB THR 17 -5.906 28.902 -16.463 103 HG1 THR 17 1HG THR 17 -7.203 31.343 -17.105 104 HG21 THR 17 1HG2 THR 17 -7.383 29.460 -18.985 105 HG22 THR 17 2HG2 THR 17 -5.918 28.513 -18.720 106 HG23 THR 17 3HG2 THR 17 -5.841 30.274 -18.730 107 H GLU 18 H GLU 18 -8.099 26.493 -15.495 108 HA GLU 18 HA GLU 18 -8.610 27.549 -12.824 109 HB2 GLU 18 1HB GLU 18 -8.755 24.808 -14.049 110 HB3 GLU 18 2HB GLU 18 -8.763 25.019 -12.304 111 HG2 GLU 18 1HG GLU 18 -10.738 26.265 -14.202 112 HG3 GLU 18 2HG GLU 18 -11.016 24.801 -13.261 113 H VAL 19 H VAL 19 -6.501 28.459 -12.517 114 HA VAL 19 HA VAL 19 -4.137 26.886 -12.606 115 HB VAL 19 HB VAL 19 -3.059 28.730 -11.427 116 HG11 VAL 19 1HG1 VAL 19 -3.026 30.008 -13.267 117 HG12 VAL 19 2HG1 VAL 19 -4.152 28.820 -13.927 118 HG13 VAL 19 3HG1 VAL 19 -4.762 30.309 -13.205 119 HG21 VAL 19 1HG2 VAL 19 -5.857 29.405 -10.753 120 HG22 VAL 19 2HG2 VAL 19 -4.381 29.611 -9.809 121 HG23 VAL 19 3HG2 VAL 19 -4.776 30.757 -11.090 122 H TYR 20 H TYR 20 -2.884 26.084 -10.879 123 HA TYR 20 HA TYR 20 -4.413 25.570 -8.412 124 HB2 TYR 20 1HB TYR 20 -2.770 23.502 -8.355 125 HB3 TYR 20 2HB TYR 20 -4.261 23.447 -9.289 126 HD1 TYR 20 2HD TYR 20 -4.126 23.960 -11.782 127 HD2 TYR 20 1HD TYR 20 -0.693 23.179 -9.394 128 HE1 TYR 20 2HE TYR 20 -2.839 23.443 -13.813 129 HE2 TYR 20 1HE TYR 20 0.604 22.662 -11.419 130 HH TYR 20 HH TYR 20 0.617 22.886 -13.705 131 H ALA 21 H ALA 21 -2.999 25.054 -6.511 132 HA ALA 21 HA ALA 21 -0.473 26.564 -6.591 133 HB1 ALA 21 1HB ALA 21 -2.486 27.781 -5.539 134 HB2 ALA 21 2HB ALA 21 -2.265 26.663 -4.193 135 HB3 ALA 21 3HB ALA 21 -0.960 27.756 -4.656 136 H LYS 22 H LYS 22 1.042 26.004 -4.886 137 HA LYS 22 HA LYS 22 0.659 23.251 -3.905 138 HB2 LYS 22 1HB LYS 22 3.243 23.211 -3.986 139 HB3 LYS 22 2HB LYS 22 2.352 23.035 -5.492 140 HG2 LYS 22 1HG LYS 22 2.961 25.113 -6.254 141 HG3 LYS 22 2HG LYS 22 3.222 25.751 -4.629 142 HD2 LYS 22 1HD LYS 22 5.394 25.514 -5.280 143 HD3 LYS 22 2HD LYS 22 5.124 23.900 -4.619 144 HE2 LYS 22 1HE LYS 22 4.537 24.429 -7.497 145 HE3 LYS 22 2HE LYS 22 6.208 24.205 -6.982 146 HZ1 LYS 22 1HZ LYS 22 5.577 22.067 -6.029 147 HZ2 LYS 22 2HZ LYS 22 5.241 22.120 -7.686 148 HZ3 LYS 22 3HZ LYS 22 3.986 22.279 -6.563 149 H ALA 23 H ALA 23 0.513 23.133 -1.773 150 HA ALA 23 HA ALA 23 1.869 25.188 -0.151 151 HB1 ALA 23 1HB ALA 23 -0.469 25.404 0.162 152 HB2 ALA 23 2HB ALA 23 -0.675 23.663 0.357 153 HB3 ALA 23 3HB ALA 23 0.157 24.598 1.600 154 H ASN 24 H ASN 24 2.332 24.369 2.145 155 HA ASN 24 HA ASN 24 3.456 21.650 1.974 156 HB2 ASN 24 1HB ASN 24 4.570 24.139 3.268 157 HB3 ASN 24 2HB ASN 24 5.173 22.527 3.643 158 HD21 ASN 24 1HD2 ASN 24 5.683 21.207 1.607 159 HD22 ASN 24 2HD2 ASN 24 6.584 22.037 0.388 160 H SER 25 H SER 25 2.500 20.266 3.296 161 HA SER 25 HA SER 25 1.923 20.991 6.035 162 HB2 SER 25 1HB SER 25 -0.256 20.378 4.049 163 HB3 SER 25 2HB SER 25 -0.470 20.067 5.770 164 HG SER 25 HG SER 25 0.480 22.576 5.005 165 H PHE 26 H PHE 26 1.352 19.139 7.355 166 HA PHE 26 HA PHE 26 2.721 16.760 6.453 167 HB2 PHE 26 1HB PHE 26 2.697 17.900 8.842 168 HB3 PHE 26 2HB PHE 26 1.281 16.878 9.067 169 HD1 PHE 26 2HD PHE 26 4.513 16.278 7.313 170 HD2 PHE 26 1HD PHE 26 1.874 15.138 10.451 171 HE1 PHE 26 2HE PHE 26 5.980 14.377 7.851 172 HE2 PHE 26 1HE PHE 26 3.335 13.236 10.995 173 HZ PHE 26 HZ PHE 26 5.391 12.851 9.693 174 H THR 27 H THR 27 1.733 15.195 5.382 175 HA THR 27 HA THR 27 -1.159 14.808 5.780 176 HB THR 27 HB THR 27 0.567 14.033 3.420 177 HG1 THR 27 1HG THR 27 -1.173 16.167 3.978 178 HG21 THR 27 1HG2 THR 27 -1.269 13.045 2.420 179 HG22 THR 27 2HG2 THR 27 -2.420 13.911 3.439 180 HG23 THR 27 3HG2 THR 27 -1.488 12.569 4.104 181 H VAL 28 H VAL 28 -1.691 13.121 6.987 182 HA VAL 28 HA VAL 28 0.063 10.750 6.950 183 HB VAL 28 HB VAL 28 -1.756 11.526 9.227 184 HG11 VAL 28 1HG1 VAL 28 0.654 9.738 9.308 185 HG12 VAL 28 2HG1 VAL 28 -0.678 9.853 10.462 186 HG13 VAL 28 3HG1 VAL 28 -0.943 9.127 8.876 187 HG21 VAL 28 1HG2 VAL 28 1.100 11.840 9.691 188 HG22 VAL 28 2HG2 VAL 28 0.477 12.949 8.470 189 HG23 VAL 28 3HG2 VAL 28 -0.236 12.923 10.082 190 H SER 29 H SER 29 -0.860 9.248 5.713 191 HA SER 29 HA SER 29 -3.722 8.684 6.124 192 HB2 SER 29 1HB SER 29 -3.003 9.805 3.872 193 HB3 SER 29 2HB SER 29 -2.413 8.193 3.468 194 HG SER 29 HG SER 29 -4.434 7.998 2.837 195 H SER 30 H SER 30 -4.352 6.463 5.643 196 HA SER 30 HA SER 30 -2.130 4.571 6.064 197 HB2 SER 30 1HB SER 30 -4.974 4.325 7.074 198 HB3 SER 30 2HB SER 30 -3.668 3.175 7.358 199 HG SER 30 HG SER 30 -3.972 5.795 8.361 200 H VAL 31 H VAL 31 -2.324 2.491 5.107 201 HA VAL 31 HA VAL 31 -4.184 2.411 2.819 202 HB VAL 31 HB VAL 31 -1.351 1.397 3.018 203 HG11 VAL 31 1HG1 VAL 31 -1.888 -0.243 1.619 204 HG12 VAL 31 2HG1 VAL 31 -3.545 0.347 1.481 205 HG13 VAL 31 3HG1 VAL 31 -2.290 0.984 0.419 206 HG21 VAL 31 1HG2 VAL 31 -2.376 3.084 0.798 207 HG22 VAL 31 2HG2 VAL 31 -2.104 3.848 2.364 208 HG23 VAL 31 3HG2 VAL 31 -0.775 3.037 1.537 209 H ALA 32 H ALA 32 -5.497 0.702 2.657 210 HA ALA 32 HA ALA 32 -5.718 -1.174 4.758 211 HB1 ALA 32 1HB ALA 32 -7.027 -0.848 2.093 212 HB2 ALA 32 2HB ALA 32 -7.283 -2.324 3.024 213 HB3 ALA 32 3HB ALA 32 -7.729 -0.762 3.710 214 H ALA 33 H ALA 33 -4.237 -2.696 5.126 215 HA ALA 33 HA ALA 33 -3.554 -4.526 2.957 216 HB1 ALA 33 1HB ALA 33 -1.546 -3.593 2.681 217 HB2 ALA 33 2HB ALA 33 -1.697 -2.630 4.152 218 HB3 ALA 33 3HB ALA 33 -1.135 -4.300 4.244 219 HA PRO 34 HA PRO 34 -4.212 -7.507 6.134 220 HB2 PRO 34 1HB PRO 34 -2.956 -9.623 4.987 221 HB3 PRO 34 2HB PRO 34 -4.524 -9.022 4.434 222 HG2 PRO 34 1HG PRO 34 -1.797 -8.517 3.306 223 HG3 PRO 34 2HG PRO 34 -3.312 -8.871 2.456 224 HD2 PRO 34 1HD PRO 34 -2.321 -6.361 2.683 225 HD3 PRO 34 2HD PRO 34 -4.064 -6.699 2.627 226 H SER 35 H SER 35 -3.013 -8.996 7.561 227 HA SER 35 HA SER 35 -0.261 -8.044 8.009 228 HB2 SER 35 1HB SER 35 -0.604 -8.559 10.387 229 HB3 SER 35 2HB SER 35 -1.822 -7.421 9.808 230 HG SER 35 HG SER 35 -2.090 -10.110 10.538 231 H TRP 36 H TRP 36 -2.275 -10.779 7.464 232 HA TRP 36 HA TRP 36 -0.696 -12.831 8.527 233 HB2 TRP 36 1HB TRP 36 -1.877 -14.309 6.944 234 HB3 TRP 36 2HB TRP 36 -2.983 -13.211 7.763 235 HD1 TRP 36 HD TRP 36 -4.159 -11.319 6.284 236 HE1 TRP 36 1HE TRP 36 -4.496 -11.083 3.744 237 HE3 TRP 36 3HE TRP 36 -0.763 -14.791 4.690 238 HZ2 TRP 36 2HZ TRP 36 -3.460 -12.219 1.376 239 HZ3 TRP 36 3HZ TRP 36 -0.497 -15.157 2.270 240 HH2 TRP 36 HH TRP 36 -1.818 -13.896 0.649 241 H LEU 37 H LEU 37 -0.118 -10.753 5.898 242 HA LEU 37 HA LEU 37 2.006 -12.534 4.899 243 HB2 LEU 37 1HB LEU 37 1.864 -11.093 2.818 244 HB3 LEU 37 2HB LEU 37 0.530 -12.207 3.115 245 HG LEU 37 HG LEU 37 -0.619 -10.124 4.175 246 HD11 LEU 37 1HD1 LEU 37 1.067 -8.519 4.215 247 HD12 LEU 37 2HD1 LEU 37 0.100 -8.072 2.810 248 HD13 LEU 37 3HD1 LEU 37 1.627 -8.927 2.593 249 HD21 LEU 37 1HD2 LEU 37 -0.404 -11.101 1.438 250 HD22 LEU 37 2HD2 LEU 37 -0.934 -9.422 1.536 251 HD23 LEU 37 3HD2 LEU 37 -1.831 -10.682 2.385 252 H HIS 38 H HIS 38 2.151 -10.698 7.170 253 HA HIS 38 HA HIS 38 3.542 -8.340 6.435 254 HB2 HIS 38 1HB HIS 38 3.048 -9.832 8.961 255 HB3 HIS 38 2HB HIS 38 4.392 -8.695 8.946 256 HD2 HIS 38 2HD HIS 38 1.972 -6.990 6.782 257 HE1 HIS 38 1HE HIS 38 0.756 -5.924 10.704 258 HE2 HIS 38 2HE HIS 38 0.476 -5.468 8.243 259 H ARG 39 H ARG 39 4.526 -11.637 7.031 260 HA ARG 39 HA ARG 39 7.313 -11.108 7.286 261 HB2 ARG 39 1HB ARG 39 6.796 -13.164 8.173 262 HB3 ARG 39 2HB ARG 39 5.617 -13.528 6.921 263 HG2 ARG 39 1HG ARG 39 7.202 -14.329 5.467 264 HG3 ARG 39 2HG ARG 39 8.502 -13.385 6.196 265 HD2 ARG 39 1HD ARG 39 7.135 -15.744 7.484 266 HD3 ARG 39 2HD ARG 39 8.693 -15.802 6.661 267 HE ARG 39 HE ARG 39 8.543 -13.876 8.801 268 HH11 ARG 39 1HH1 ARG 39 9.271 -17.164 7.919 269 HH12 ARG 39 2HH1 ARG 39 10.296 -17.442 9.289 270 HH21 ARG 39 1HH2 ARG 39 9.891 -14.229 10.607 271 HH22 ARG 39 2HH2 ARG 39 10.646 -15.772 10.817 272 H PHE 40 H PHE 40 5.157 -11.359 4.618 273 HA PHE 40 HA PHE 40 7.335 -11.763 2.712 274 HB2 PHE 40 1HB PHE 40 4.336 -11.795 2.484 275 HB3 PHE 40 2HB PHE 40 5.354 -11.686 1.051 276 HD1 PHE 40 2HD PHE 40 7.456 -13.475 1.303 277 HD2 PHE 40 1HD PHE 40 3.514 -13.892 2.854 278 HE1 PHE 40 2HE PHE 40 7.719 -15.922 1.304 279 HE2 PHE 40 1HE PHE 40 3.771 -16.339 2.858 280 HZ PHE 40 HZ PHE 40 5.875 -17.357 2.083 281 H ILE 41 H ILE 41 4.842 -9.396 3.550 282 HA ILE 41 HA ILE 41 5.404 -7.524 1.538 283 HB ILE 41 HB ILE 41 3.439 -7.608 3.244 284 HG12 ILE 41 1HG1 ILE 41 4.577 -4.880 2.654 285 HG13 ILE 41 2HG1 ILE 41 3.928 -5.912 1.385 286 HG21 ILE 41 1HG2 ILE 41 5.115 -5.612 4.716 287 HG22 ILE 41 2HG2 ILE 41 3.634 -6.418 5.230 288 HG23 ILE 41 3HG2 ILE 41 5.147 -7.320 5.154 289 HD11 ILE 41 1HD1 ILE 41 2.554 -4.239 3.291 290 HD12 ILE 41 2HD1 ILE 41 1.958 -4.996 1.813 291 HD13 ILE 41 3HD1 ILE 41 1.957 -5.898 3.329 292 H ILE 42 H ILE 42 6.958 -8.187 4.590 293 HA ILE 42 HA ILE 42 8.542 -5.759 4.507 294 HB ILE 42 HB ILE 42 8.677 -8.123 6.382 295 HG12 ILE 42 1HG1 ILE 42 7.621 -5.344 6.913 296 HG13 ILE 42 2HG1 ILE 42 6.591 -6.685 6.424 297 HG21 ILE 42 1HG2 ILE 42 10.618 -7.317 7.089 298 HG22 ILE 42 2HG2 ILE 42 10.522 -5.993 5.928 299 HG23 ILE 42 3HG2 ILE 42 9.810 -5.813 7.532 300 HD11 ILE 42 1HD1 ILE 42 8.344 -6.771 8.859 301 HD12 ILE 42 2HD1 ILE 42 6.672 -6.207 8.882 302 HD13 ILE 42 3HD1 ILE 42 7.037 -7.868 8.419 303 H GLY 43 H GLY 43 9.069 -9.257 4.166 304 HA2 GLY 43 1HA GLY 43 10.573 -10.072 2.461 305 HA3 GLY 43 2HA GLY 43 11.550 -8.631 2.703 306 H LYS 44 H LYS 44 12.333 -11.452 2.770 307 HA LYS 44 HA LYS 44 12.691 -12.601 5.211 308 HB2 LYS 44 1HB LYS 44 14.745 -12.370 3.002 309 HB3 LYS 44 2HB LYS 44 14.838 -13.505 4.344 310 HG2 LYS 44 1HG LYS 44 12.696 -14.498 3.586 311 HG3 LYS 44 2HG LYS 44 12.745 -13.430 2.182 312 HD2 LYS 44 1HD LYS 44 14.560 -14.525 1.251 313 HD3 LYS 44 2HD LYS 44 15.086 -15.184 2.802 314 HE2 LYS 44 1HE LYS 44 13.189 -16.706 2.818 315 HE3 LYS 44 2HE LYS 44 12.605 -16.019 1.303 316 HZ1 LYS 44 1HZ LYS 44 13.751 -18.019 0.803 317 HZ2 LYS 44 2HZ LYS 44 15.096 -17.573 1.727 318 HZ3 LYS 44 3HZ LYS 44 14.744 -16.748 0.293 319 H LYS 45 H LYS 45 15.018 -10.310 3.767 320 HA LYS 45 HA LYS 45 15.873 -9.615 6.501 321 HB2 LYS 45 1HB LYS 45 17.410 -9.794 3.921 322 HB3 LYS 45 2HB LYS 45 18.003 -8.829 5.267 323 HG2 LYS 45 1HG LYS 45 17.690 -10.992 6.646 324 HG3 LYS 45 2HG LYS 45 17.666 -11.791 5.073 325 HD2 LYS 45 1HD LYS 45 19.861 -9.931 5.974 326 HD3 LYS 45 2HD LYS 45 19.919 -11.684 6.173 327 HE2 LYS 45 1HE LYS 45 19.690 -11.951 3.743 328 HE3 LYS 45 2HE LYS 45 19.666 -10.199 3.558 329 HZ1 LYS 45 1HZ LYS 45 21.861 -11.164 3.126 330 HZ2 LYS 45 2HZ LYS 45 21.919 -11.753 4.710 331 HZ3 LYS 45 3HZ LYS 45 21.895 -10.086 4.429 332 H GLY 46 H GLY 46 13.654 -8.349 5.522 333 HA2 GLY 46 1HA GLY 46 12.764 -6.288 5.020 334 HA3 GLY 46 2HA GLY 46 14.157 -5.676 5.900 335 H GLN 47 H GLN 47 13.226 -6.890 2.689 336 HA GLN 47 HA GLN 47 15.254 -5.120 1.511 337 HB2 GLN 47 1HB GLN 47 13.888 -7.606 0.511 338 HB3 GLN 47 2HB GLN 47 14.715 -6.512 -0.590 339 HG2 GLN 47 1HG GLN 47 16.800 -6.856 0.559 340 HG3 GLN 47 2HG GLN 47 16.001 -7.836 1.786 341 HE21 GLN 47 1HE2 GLN 47 17.938 -9.149 0.857 342 HE22 GLN 47 2HE2 GLN 47 17.516 -10.284 -0.375 343 H ASN 48 H ASN 48 11.852 -6.072 1.246 344 HA ASN 48 HA ASN 48 11.161 -4.298 -0.827 345 HB2 ASN 48 1HB ASN 48 9.454 -5.482 1.374 346 HB3 ASN 48 2HB ASN 48 8.822 -4.641 -0.037 347 HD21 ASN 48 1HD2 ASN 48 9.090 -7.561 1.158 348 HD22 ASN 48 2HD2 ASN 48 9.346 -8.497 -0.271 349 H LEU 49 H LEU 49 11.039 -3.965 2.700 350 HA LEU 49 HA LEU 49 9.894 -1.362 2.674 351 HB2 LEU 49 1HB LEU 49 11.232 -3.073 4.719 352 HB3 LEU 49 2HB LEU 49 10.956 -1.369 5.068 353 HG LEU 49 HG LEU 49 8.741 -3.244 4.267 354 HD11 LEU 49 1HD1 LEU 49 8.319 -2.935 6.877 355 HD12 LEU 49 2HD1 LEU 49 10.080 -2.866 6.880 356 HD13 LEU 49 3HD1 LEU 49 9.254 -4.277 6.219 357 HD21 LEU 49 1HD2 LEU 49 7.399 -1.500 5.484 358 HD22 LEU 49 2HD2 LEU 49 8.137 -0.968 3.973 359 HD23 LEU 49 3HD2 LEU 49 8.856 -0.508 5.517 360 H ALA 50 H ALA 50 13.207 -2.469 3.407 361 HA ALA 50 HA ALA 50 14.482 -0.087 3.749 362 HB1 ALA 50 1HB ALA 50 15.954 -1.777 4.049 363 HB2 ALA 50 2HB ALA 50 15.314 -2.722 2.703 364 HB3 ALA 50 3HB ALA 50 16.402 -1.368 2.392 365 H LYS 51 H LYS 51 13.692 -1.623 0.653 366 HA LYS 51 HA LYS 51 14.979 0.202 -1.031 367 HB2 LYS 51 1HB LYS 51 13.707 -2.085 -1.483 368 HB3 LYS 51 2HB LYS 51 12.383 -0.998 -1.881 369 HG2 LYS 51 1HG LYS 51 13.508 -1.501 -3.901 370 HG3 LYS 51 2HG LYS 51 13.931 0.159 -3.475 371 HD2 LYS 51 1HD LYS 51 16.008 -0.640 -3.989 372 HD3 LYS 51 2HD LYS 51 15.956 -1.051 -2.273 373 HE2 LYS 51 1HE LYS 51 14.974 -3.002 -4.316 374 HE3 LYS 51 2HE LYS 51 16.703 -2.837 -4.013 375 HZ1 LYS 51 1HZ LYS 51 15.601 -3.014 -1.526 376 HZ2 LYS 51 2HZ LYS 51 16.381 -4.263 -2.357 377 HZ3 LYS 51 3HZ LYS 51 14.697 -4.121 -2.431 378 H ILE 52 H ILE 52 11.490 0.067 -0.277 379 HA ILE 52 HA ILE 52 10.754 2.459 -1.451 380 HB ILE 52 HB ILE 52 9.579 1.283 1.071 381 HG12 ILE 52 1HG1 ILE 52 8.675 0.859 -1.780 382 HG13 ILE 52 2HG1 ILE 52 9.738 -0.259 -0.933 383 HG21 ILE 52 1HG2 ILE 52 8.512 3.261 -0.932 384 HG22 ILE 52 2HG2 ILE 52 7.504 2.427 0.250 385 HG23 ILE 52 3HG2 ILE 52 8.787 3.509 0.793 386 HD11 ILE 52 1HD1 ILE 52 7.488 0.238 0.717 387 HD12 ILE 52 2HD1 ILE 52 6.917 -0.143 -0.907 388 HD13 ILE 52 3HD1 ILE 52 7.981 -1.266 -0.060 389 H THR 53 H THR 53 11.472 1.955 2.009 390 HA THR 53 HA THR 53 11.298 4.544 2.896 391 HB THR 53 HB THR 53 12.921 3.952 4.660 392 HG1 THR 53 1HG THR 53 13.752 1.733 4.539 393 HG21 THR 53 1HG2 THR 53 11.639 1.495 4.938 394 HG22 THR 53 2HG2 THR 53 10.524 2.476 3.985 395 HG23 THR 53 3HG2 THR 53 11.085 3.050 5.556 396 H GLN 54 H GLN 54 13.768 3.123 0.915 397 HA GLN 54 HA GLN 54 15.768 5.099 1.351 398 HB2 GLN 54 1HB GLN 54 16.117 2.774 0.399 399 HB3 GLN 54 2HB GLN 54 15.453 3.385 -1.111 400 HG2 GLN 54 1HG GLN 54 17.711 3.594 -1.462 401 HG3 GLN 54 2HG GLN 54 17.283 5.205 -0.888 402 HE21 GLN 54 1HE2 GLN 54 18.728 2.141 0.003 403 HE22 GLN 54 2HE2 GLN 54 19.637 2.742 1.343 404 H GLN 55 H GLN 55 13.221 4.675 -1.066 405 HA GLN 55 HA GLN 55 13.969 6.948 -2.615 406 HB2 GLN 55 1HB GLN 55 11.658 5.071 -2.544 407 HB3 GLN 55 2HB GLN 55 11.430 6.617 -3.351 408 HG2 GLN 55 1HG GLN 55 12.089 5.206 -5.062 409 HG3 GLN 55 2HG GLN 55 13.579 6.041 -4.626 410 HE21 GLN 55 1HE2 GLN 55 15.230 4.911 -3.649 411 HE22 GLN 55 2HE2 GLN 55 15.256 3.186 -3.555 412 H MET 56 H MET 56 11.771 6.395 0.066 413 HA MET 56 HA MET 56 11.197 9.286 0.112 414 HB2 MET 56 1HB MET 56 9.430 7.208 1.380 415 HB3 MET 56 2HB MET 56 9.039 8.871 0.961 416 HG2 MET 56 1HG MET 56 7.936 7.667 -0.662 417 HG3 MET 56 2HG MET 56 9.439 8.114 -1.469 418 HE1 MET 56 1HE MET 56 8.848 6.662 -3.158 419 HE2 MET 56 2HE MET 56 9.649 5.094 -3.262 420 HE3 MET 56 3HE MET 56 7.941 5.185 -2.830 421 HA PRO 57 HA PRO 57 13.654 8.317 3.897 422 HB2 PRO 57 1HB PRO 57 15.057 10.640 3.843 423 HB3 PRO 57 2HB PRO 57 15.541 9.204 2.932 424 HG2 PRO 57 1HG PRO 57 14.074 11.639 1.992 425 HG3 PRO 57 2HG PRO 57 15.389 10.751 1.201 426 HD2 PRO 57 1HD PRO 57 12.793 10.440 0.498 427 HD3 PRO 57 2HD PRO 57 13.973 9.118 0.400 428 H LYS 58 H LYS 58 11.243 10.438 3.014 429 HA LYS 58 HA LYS 58 11.199 11.729 5.660 430 HB2 LYS 58 1HB LYS 58 9.862 12.554 3.077 431 HB3 LYS 58 2HB LYS 58 9.655 13.377 4.617 432 HG2 LYS 58 1HG LYS 58 12.255 13.560 4.547 433 HG3 LYS 58 2HG LYS 58 12.029 13.294 2.817 434 HD2 LYS 58 1HD LYS 58 10.944 15.291 2.514 435 HD3 LYS 58 2HD LYS 58 10.334 15.334 4.170 436 HE2 LYS 58 1HE LYS 58 13.271 15.532 3.726 437 HE3 LYS 58 2HE LYS 58 12.271 16.939 3.369 438 HZ1 LYS 58 1HZ LYS 58 11.633 15.746 5.892 439 HZ2 LYS 58 2HZ LYS 58 11.997 17.356 5.523 440 HZ3 LYS 58 3HZ LYS 58 13.245 16.252 5.815 441 H VAL 59 H VAL 59 9.665 9.435 3.665 442 HA VAL 59 HA VAL 59 7.099 9.597 5.015 443 HB VAL 59 HB VAL 59 8.119 7.661 2.934 444 HG11 VAL 59 1HG1 VAL 59 6.368 6.746 4.495 445 HG12 VAL 59 2HG1 VAL 59 5.278 7.990 3.877 446 HG13 VAL 59 3HG1 VAL 59 5.926 6.763 2.788 447 HG21 VAL 59 1HG2 VAL 59 6.005 9.761 2.576 448 HG22 VAL 59 2HG2 VAL 59 7.714 10.118 2.333 449 HG23 VAL 59 3HG2 VAL 59 6.921 8.894 1.343 450 H HIS 60 H HIS 60 6.643 8.553 6.831 451 HA HIS 60 HA HIS 60 8.471 6.471 7.771 452 HB2 HIS 60 1HB HIS 60 6.580 8.361 9.077 453 HB3 HIS 60 2HB HIS 60 6.845 6.810 9.867 454 HD1 HIS 60 1HD HIS 60 9.652 6.287 9.977 455 HD2 HIS 60 2HD HIS 60 8.288 10.211 10.024 456 HE1 HIS 60 1HE HIS 60 11.528 7.639 10.965 457 H ILE 61 H ILE 61 7.962 4.445 7.289 458 HA ILE 61 HA ILE 61 5.173 3.709 6.838 459 HB ILE 61 HB ILE 61 7.718 2.147 6.386 460 HG12 ILE 61 1HG1 ILE 61 5.786 3.334 4.385 461 HG13 ILE 61 2HG1 ILE 61 7.294 4.098 4.871 462 HG21 ILE 61 1HG2 ILE 61 5.738 0.920 4.937 463 HG22 ILE 61 2HG2 ILE 61 6.384 0.357 6.477 464 HG23 ILE 61 3HG2 ILE 61 4.918 1.336 6.442 465 HD11 ILE 61 1HD1 ILE 61 8.125 1.605 4.139 466 HD12 ILE 61 2HD1 ILE 61 6.812 1.917 3.003 467 HD13 ILE 61 3HD1 ILE 61 8.164 3.041 3.116 468 H GLU 62 H GLU 62 3.993 2.802 8.378 469 HA GLU 62 HA GLU 62 5.366 1.280 10.495 470 HB2 GLU 62 1HB GLU 62 4.609 3.382 11.428 471 HB3 GLU 62 2HB GLU 62 2.998 3.137 10.768 472 HG2 GLU 62 1HG GLU 62 2.736 1.162 12.218 473 HG3 GLU 62 2HG GLU 62 4.318 1.498 12.920 474 H PHE 63 H PHE 63 4.363 -0.578 11.242 475 HA PHE 63 HA PHE 63 2.079 -1.502 9.625 476 HB2 PHE 63 1HB PHE 63 4.579 -2.852 10.511 477 HB3 PHE 63 2HB PHE 63 3.111 -3.823 10.465 478 HD1 PHE 63 2HD PHE 63 1.744 -3.706 8.254 479 HD2 PHE 63 1HD PHE 63 5.844 -2.612 8.601 480 HE1 PHE 63 2HE PHE 63 2.031 -4.023 5.831 481 HE2 PHE 63 1HE PHE 63 6.136 -2.927 6.179 482 HZ PHE 63 HZ PHE 63 4.229 -3.635 4.790 483 H THR 64 H THR 64 0.346 -2.416 10.632 484 HA THR 64 HA THR 64 0.380 -2.375 13.579 485 HB THR 64 HB THR 64 -2.172 -2.177 13.297 486 HG1 THR 64 1HG THR 64 -2.437 -0.880 11.174 487 HG21 THR 64 1HG2 THR 64 -1.940 0.331 12.809 488 HG22 THR 64 2HG2 THR 64 -0.211 0.012 12.670 489 HG23 THR 64 3HG2 THR 64 -1.050 -0.317 14.186 490 H GLU 65 H GLU 65 -0.451 -4.095 14.710 491 HA GLU 65 HA GLU 65 -0.687 -6.579 13.220 492 HB2 GLU 65 1HB GLU 65 -0.544 -7.682 15.365 493 HB3 GLU 65 2HB GLU 65 0.710 -6.454 15.265 494 HG2 GLU 65 1HG GLU 65 -1.092 -4.970 16.460 495 HG3 GLU 65 2HG GLU 65 -1.737 -6.535 16.951 496 H GLY 66 H GLY 66 -2.642 -4.575 15.388 497 HA2 GLY 66 1HA GLY 66 -4.930 -6.352 15.072 498 HA3 GLY 66 2HA GLY 66 -4.851 -4.925 16.096 499 H GLU 67 H GLU 67 -4.083 -2.986 14.301 500 HA GLU 67 HA GLU 67 -6.536 -2.343 13.071 501 HB2 GLU 67 1HB GLU 67 -3.794 -1.154 12.617 502 HB3 GLU 67 2HB GLU 67 -5.310 -0.438 12.087 503 HG2 GLU 67 1HG GLU 67 -4.909 -1.074 14.971 504 HG3 GLU 67 2HG GLU 67 -4.173 0.370 14.278 505 H ASP 68 H ASP 68 -3.901 -4.244 12.030 506 HA ASP 68 HA ASP 68 -3.297 -5.158 10.021 507 HB2 ASP 68 1HB ASP 68 -6.313 -5.171 9.854 508 HB3 ASP 68 2HB ASP 68 -5.282 -5.993 8.686 509 H LYS 69 H LYS 69 -2.766 -2.586 9.812 510 HA LYS 69 HA LYS 69 -3.255 -2.033 7.024 511 HB2 LYS 69 1HB LYS 69 -4.226 0.152 7.310 512 HB3 LYS 69 2HB LYS 69 -5.225 -1.019 8.160 513 HG2 LYS 69 1HG LYS 69 -4.302 -0.346 10.276 514 HG3 LYS 69 2HG LYS 69 -3.154 0.729 9.474 515 HD2 LYS 69 1HD LYS 69 -4.818 2.196 10.130 516 HD3 LYS 69 2HD LYS 69 -5.286 1.827 8.469 517 HE2 LYS 69 1HE LYS 69 -6.723 -0.034 9.506 518 HE3 LYS 69 2HE LYS 69 -6.481 0.818 11.030 519 HZ1 LYS 69 1HZ LYS 69 -7.836 1.800 8.590 520 HZ2 LYS 69 2HZ LYS 69 -7.336 2.844 9.822 521 HZ3 LYS 69 3HZ LYS 69 -8.475 1.636 10.147 522 H ILE 70 H ILE 70 -2.035 -0.053 6.313 523 HA ILE 70 HA ILE 70 0.431 0.193 7.904 524 HB ILE 70 HB ILE 70 0.066 0.557 4.927 525 HG12 ILE 70 1HG1 ILE 70 1.622 -1.590 6.373 526 HG13 ILE 70 2HG1 ILE 70 -0.046 -1.806 5.855 527 HG21 ILE 70 1HG2 ILE 70 2.224 1.243 4.755 528 HG22 ILE 70 2HG2 ILE 70 1.882 1.860 6.369 529 HG23 ILE 70 3HG2 ILE 70 2.744 0.335 6.174 530 HD11 ILE 70 1HD1 ILE 70 2.134 -1.040 3.944 531 HD12 ILE 70 2HD1 ILE 70 1.758 -2.718 4.338 532 HD13 ILE 70 3HD1 ILE 70 0.535 -1.693 3.588 533 H THR 71 H THR 71 0.937 2.118 8.712 534 HA THR 71 HA THR 71 -0.664 4.435 7.920 535 HB THR 71 HB THR 71 1.211 4.086 10.269 536 HG1 THR 71 1HG THR 71 -1.621 4.291 10.324 537 HG21 THR 71 1HG2 THR 71 -0.345 6.158 10.952 538 HG22 THR 71 2HG2 THR 71 -0.304 6.398 9.205 539 HG23 THR 71 3HG2 THR 71 1.199 6.355 10.126 540 H LEU 72 H LEU 72 0.151 6.168 6.892 541 HA LEU 72 HA LEU 72 3.060 6.237 6.427 542 HB2 LEU 72 1HB LEU 72 0.782 6.869 4.572 543 HB3 LEU 72 2HB LEU 72 2.427 7.422 4.268 544 HG LEU 72 HG LEU 72 2.083 5.483 2.948 545 HD11 LEU 72 1HD1 LEU 72 4.106 5.681 4.775 546 HD12 LEU 72 2HD1 LEU 72 4.033 4.516 3.454 547 HD13 LEU 72 3HD1 LEU 72 3.494 4.053 5.068 548 HD21 LEU 72 1HD2 LEU 72 0.126 4.702 4.385 549 HD22 LEU 72 2HD2 LEU 72 1.335 3.893 5.384 550 HD23 LEU 72 3HD2 LEU 72 1.159 3.456 3.683 551 H GLU 73 H GLU 73 4.100 8.081 6.895 552 HA GLU 73 HA GLU 73 2.473 10.467 7.479 553 HB2 GLU 73 1HB GLU 73 4.863 9.386 8.972 554 HB3 GLU 73 2HB GLU 73 4.253 11.021 9.193 555 HG2 GLU 73 1HG GLU 73 2.332 10.313 10.236 556 HG3 GLU 73 2HG GLU 73 2.394 8.713 9.499 557 H GLY 74 H GLY 74 3.007 12.239 6.377 558 HA2 GLY 74 1HA GLY 74 5.331 13.437 5.864 559 HA3 GLY 74 2HA GLY 74 5.356 12.159 4.658 560 HA PRO 75 HA PRO 75 3.210 15.933 2.931 561 HB2 PRO 75 1HB PRO 75 4.775 16.141 0.722 562 HB3 PRO 75 2HB PRO 75 5.177 16.914 2.261 563 HG2 PRO 75 1HG PRO 75 6.210 14.355 1.100 564 HG3 PRO 75 2HG PRO 75 7.098 15.646 1.930 565 HD2 PRO 75 1HD PRO 75 6.380 13.345 3.164 566 HD3 PRO 75 2HD PRO 75 6.482 14.896 4.021 567 H THR 76 H THR 76 1.483 15.639 1.668 568 HA THR 76 HA THR 76 0.587 13.284 0.670 569 HB THR 76 HB THR 76 -0.876 15.194 0.736 570 HG1 THR 76 1HG THR 76 -1.831 14.955 -1.338 571 HG21 THR 76 1HG2 THR 76 0.473 16.390 -1.661 572 HG22 THR 76 2HG2 THR 76 1.027 16.774 -0.031 573 HG23 THR 76 3HG2 THR 76 -0.629 17.147 -0.511 574 H GLU 77 H GLU 77 2.950 15.386 -0.784 575 HA GLU 77 HA GLU 77 2.873 14.399 -3.416 576 HB2 GLU 77 1HB GLU 77 4.747 15.667 -3.793 577 HB3 GLU 77 2HB GLU 77 4.150 16.438 -2.331 578 HG2 GLU 77 1HG GLU 77 5.704 15.077 -1.002 579 HG3 GLU 77 2HG GLU 77 6.330 14.370 -2.489 580 H ASP 78 H ASP 78 4.829 13.434 -0.615 581 HA ASP 78 HA ASP 78 6.028 11.247 -2.083 582 HB2 ASP 78 1HB ASP 78 6.339 12.396 0.661 583 HB3 ASP 78 2HB ASP 78 6.894 10.752 0.359 584 H VAL 79 H VAL 79 3.738 11.651 0.594 585 HA VAL 79 HA VAL 79 3.314 9.008 1.273 586 HB VAL 79 HB VAL 79 1.191 11.154 1.154 587 HG11 VAL 79 1HG1 VAL 79 -0.190 9.632 1.993 588 HG12 VAL 79 2HG1 VAL 79 1.084 8.415 1.898 589 HG13 VAL 79 3HG1 VAL 79 0.901 9.389 3.357 590 HG21 VAL 79 1HG2 VAL 79 1.981 12.065 3.069 591 HG22 VAL 79 2HG2 VAL 79 2.574 10.524 3.688 592 HG23 VAL 79 3HG2 VAL 79 3.509 11.409 2.483 593 H SER 80 H SER 80 2.169 10.785 -1.505 594 HA SER 80 HA SER 80 0.186 8.893 -2.297 595 HB2 SER 80 1HB SER 80 0.173 11.272 -3.022 596 HB3 SER 80 2HB SER 80 1.610 10.957 -3.993 597 HG SER 80 HG SER 80 0.437 9.641 -5.310 598 H VAL 81 H VAL 81 3.611 9.197 -2.769 599 HA VAL 81 HA VAL 81 3.712 7.284 -4.934 600 HB VAL 81 HB VAL 81 6.049 8.279 -3.311 601 HG11 VAL 81 1HG1 VAL 81 6.980 7.999 -5.795 602 HG12 VAL 81 2HG1 VAL 81 6.954 6.670 -4.634 603 HG13 VAL 81 3HG1 VAL 81 5.685 6.802 -5.852 604 HG21 VAL 81 1HG2 VAL 81 6.004 9.764 -5.632 605 HG22 VAL 81 2HG2 VAL 81 4.313 9.741 -5.131 606 HG23 VAL 81 3HG2 VAL 81 5.552 10.335 -4.027 607 H ALA 82 H ALA 82 4.995 7.361 -1.604 608 HA ALA 82 HA ALA 82 5.852 4.726 -1.465 609 HB1 ALA 82 1HB ALA 82 5.319 5.050 1.067 610 HB2 ALA 82 2HB ALA 82 6.575 6.021 0.298 611 HB3 ALA 82 3HB ALA 82 4.978 6.713 0.585 612 H GLN 83 H GLN 83 2.681 6.078 -0.593 613 HA GLN 83 HA GLN 83 1.522 3.683 0.296 614 HB2 GLN 83 1HB GLN 83 -0.509 4.826 0.328 615 HB3 GLN 83 2HB GLN 83 0.673 6.114 0.514 616 HG2 GLN 83 1HG GLN 83 0.460 6.721 -1.798 617 HG3 GLN 83 2HG GLN 83 -0.593 5.340 -2.103 618 HE21 GLN 83 1HE2 GLN 83 -2.704 5.354 -1.254 619 HE22 GLN 83 2HE2 GLN 83 -3.481 6.832 -0.808 620 H GLU 84 H GLU 84 1.709 5.142 -2.913 621 HA GLU 84 HA GLU 84 -0.004 3.290 -4.200 622 HB2 GLU 84 1HB GLU 84 1.994 5.317 -5.089 623 HB3 GLU 84 2HB GLU 84 1.469 4.107 -6.252 624 HG2 GLU 84 1HG GLU 84 -0.891 4.778 -5.736 625 HG3 GLU 84 2HG GLU 84 -0.228 6.121 -4.807 626 H GLN 85 H GLN 85 3.437 3.325 -3.512 627 HA GLN 85 HA GLN 85 4.182 1.187 -5.194 628 HB2 GLN 85 1HB GLN 85 5.434 2.199 -2.637 629 HB3 GLN 85 2HB GLN 85 6.183 1.026 -3.712 630 HG2 GLN 85 1HG GLN 85 5.316 3.683 -4.760 631 HG3 GLN 85 2HG GLN 85 6.834 3.524 -3.879 632 HE21 GLN 85 1HE2 GLN 85 7.619 4.296 -6.020 633 HE22 GLN 85 2HE2 GLN 85 7.994 3.102 -7.210 634 H ILE 86 H ILE 86 3.459 1.257 -1.706 635 HA ILE 86 HA ILE 86 3.740 -1.479 -1.230 636 HB ILE 86 HB ILE 86 1.940 0.511 0.154 637 HG12 ILE 86 1HG1 ILE 86 4.607 -0.580 1.053 638 HG13 ILE 86 2HG1 ILE 86 4.447 0.914 0.136 639 HG21 ILE 86 1HG2 ILE 86 1.700 -1.036 1.938 640 HG22 ILE 86 2HG2 ILE 86 1.299 -1.901 0.456 641 HG23 ILE 86 3HG2 ILE 86 2.869 -2.145 1.220 642 HD11 ILE 86 1HD1 ILE 86 4.665 1.304 2.541 643 HD12 ILE 86 2HD1 ILE 86 3.124 1.889 1.910 644 HD13 ILE 86 3HD1 ILE 86 3.190 0.377 2.816 645 H GLU 87 H GLU 87 0.907 0.395 -2.231 646 HA GLU 87 HA GLU 87 -1.015 -1.614 -2.063 647 HB2 GLU 87 1HB GLU 87 -0.780 0.754 -3.917 648 HB3 GLU 87 2HB GLU 87 -2.189 -0.296 -3.889 649 HG2 GLU 87 1HG GLU 87 -1.268 0.885 -1.326 650 HG3 GLU 87 2HG GLU 87 -2.089 1.927 -2.487 651 H GLY 88 H GLY 88 1.182 -0.785 -4.717 652 HA2 GLY 88 1HA GLY 88 0.190 -2.509 -6.665 653 HA3 GLY 88 2HA GLY 88 1.864 -1.990 -6.546 654 H MET 89 H MET 89 2.516 -3.159 -4.075 655 HA MET 89 HA MET 89 2.933 -5.876 -4.937 656 HB2 MET 89 1HB MET 89 4.319 -6.081 -2.935 657 HB3 MET 89 2HB MET 89 4.728 -4.624 -3.830 658 HG2 MET 89 1HG MET 89 3.739 -3.229 -2.249 659 HG3 MET 89 2HG MET 89 2.809 -4.544 -1.536 660 HE1 MET 89 1HE MET 89 6.414 -3.296 -2.269 661 HE2 MET 89 2HE MET 89 5.786 -2.271 -0.979 662 HE3 MET 89 3HE MET 89 7.132 -3.365 -0.660 663 H VAL 90 H VAL 90 0.783 -4.203 -2.810 664 HA VAL 90 HA VAL 90 0.058 -6.360 -1.130 665 HB VAL 90 HB VAL 90 -1.390 -3.828 -1.888 666 HG11 VAL 90 1HG1 VAL 90 -2.621 -4.690 0.385 667 HG12 VAL 90 2HG1 VAL 90 -3.267 -4.877 -1.247 668 HG13 VAL 90 3HG1 VAL 90 -2.385 -6.202 -0.490 669 HG21 VAL 90 1HG2 VAL 90 -0.613 -4.330 0.891 670 HG22 VAL 90 2HG2 VAL 90 0.743 -4.227 -0.232 671 HG23 VAL 90 3HG2 VAL 90 -0.401 -2.890 -0.105 672 H LYS 91 H LYS 91 -1.595 -4.968 -3.966 673 HA LYS 91 HA LYS 91 -3.619 -6.919 -4.099 674 HB2 LYS 91 1HB LYS 91 -3.949 -6.095 -6.427 675 HB3 LYS 91 2HB LYS 91 -3.906 -4.812 -5.225 676 HG2 LYS 91 1HG LYS 91 -1.349 -4.765 -5.883 677 HG3 LYS 91 2HG LYS 91 -1.973 -5.464 -7.378 678 HD2 LYS 91 1HD LYS 91 -3.726 -3.487 -7.126 679 HD3 LYS 91 2HD LYS 91 -2.400 -2.764 -6.211 680 HE2 LYS 91 1HE LYS 91 -2.182 -2.052 -8.475 681 HE3 LYS 91 2HE LYS 91 -0.912 -3.236 -8.168 682 HZ1 LYS 91 1HZ LYS 91 -2.867 -4.803 -9.080 683 HZ2 LYS 91 2HZ LYS 91 -1.673 -4.125 -10.067 684 HZ3 LYS 91 3HZ LYS 91 -3.193 -3.389 -9.949 685 H ASP 92 H ASP 92 -0.559 -6.610 -5.884 686 HA ASP 92 HA ASP 92 -0.815 -8.890 -7.473 687 HB2 ASP 92 1HB ASP 92 0.928 -7.086 -7.705 688 HB3 ASP 92 2HB ASP 92 1.776 -7.817 -6.346 689 H LEU 93 H LEU 93 0.487 -8.510 -4.207 690 HA LEU 93 HA LEU 93 1.529 -11.067 -3.849 691 HB2 LEU 93 1HB LEU 93 0.484 -8.953 -2.041 692 HB3 LEU 93 2HB LEU 93 0.751 -10.560 -1.368 693 HG LEU 93 HG LEU 93 2.908 -9.048 -2.820 694 HD11 LEU 93 1HD1 LEU 93 1.800 -7.970 -0.663 695 HD12 LEU 93 2HD1 LEU 93 3.540 -7.926 -0.949 696 HD13 LEU 93 3HD1 LEU 93 2.857 -9.130 0.143 697 HD21 LEU 93 1HD2 LEU 93 3.202 -11.126 -0.678 698 HD22 LEU 93 2HD2 LEU 93 4.378 -10.600 -1.883 699 HD23 LEU 93 3HD2 LEU 93 2.989 -11.573 -2.371 700 H ILE 94 H ILE 94 -1.693 -9.872 -2.889 701 HA ILE 94 HA ILE 94 -2.690 -12.373 -2.074 702 HB ILE 94 HB ILE 94 -4.148 -9.908 -3.028 703 HG12 ILE 94 1HG1 ILE 94 -4.118 -10.905 -0.210 704 HG13 ILE 94 2HG1 ILE 94 -2.693 -10.074 -0.824 705 HG21 ILE 94 1HG2 ILE 94 -5.131 -12.581 -2.381 706 HG22 ILE 94 2HG2 ILE 94 -5.919 -11.292 -1.471 707 HG23 ILE 94 3HG2 ILE 94 -5.923 -11.256 -3.234 708 HD11 ILE 94 1HD1 ILE 94 -5.400 -9.029 -0.245 709 HD12 ILE 94 2HD1 ILE 94 -3.816 -8.308 0.042 710 HD13 ILE 94 3HD1 ILE 94 -4.506 -8.306 -1.581 711 H ASN 95 H ASN 95 -2.886 -10.661 -5.171 712 HA ASN 95 HA ASN 95 -4.600 -12.407 -6.505 713 HB2 ASN 95 1HB ASN 95 -2.531 -10.435 -7.343 714 HB3 ASN 95 2HB ASN 95 -3.104 -11.577 -8.554 715 HD21 ASN 95 1HD2 ASN 95 -3.675 -8.663 -7.014 716 HD22 ASN 95 2HD2 ASN 95 -5.292 -8.391 -7.562 717 H ARG 96 H ARG 96 -1.076 -12.488 -6.166 718 HA ARG 96 HA ARG 96 -0.432 -14.539 -7.878 719 HB2 ARG 96 1HB ARG 96 0.706 -13.678 -5.239 720 HB3 ARG 96 2HB ARG 96 1.351 -15.094 -6.058 721 HG2 ARG 96 1HG ARG 96 1.939 -13.769 -7.983 722 HG3 ARG 96 2HG ARG 96 1.183 -12.344 -7.268 723 HD2 ARG 96 1HD ARG 96 3.476 -12.078 -6.855 724 HD3 ARG 96 2HD ARG 96 2.806 -12.658 -5.331 725 HE ARG 96 HE ARG 96 4.630 -14.061 -7.083 726 HH11 ARG 96 1HH1 ARG 96 2.377 -14.283 -4.440 727 HH12 ARG 96 2HH1 ARG 96 3.035 -15.766 -3.831 728 HH21 ARG 96 1HH2 ARG 96 5.506 -16.013 -6.292 729 HH22 ARG 96 2HH2 ARG 96 4.816 -16.748 -4.886 730 H SER 97 H SER 97 -1.543 -14.807 -4.515 731 HA SER 97 HA SER 97 -1.424 -17.625 -4.386 732 HB2 SER 97 1HB SER 97 -1.569 -16.053 -2.419 733 HB3 SER 97 2HB SER 97 -3.277 -15.838 -2.800 734 HG SER 97 HG SER 97 -2.409 -17.620 -1.246 735 H GLY 98 H GLY 98 -4.278 -15.496 -4.692 736 HA2 GLY 98 1HA GLY 98 -5.494 -16.895 -6.775 737 HA3 GLY 98 2HA GLY 98 -6.074 -17.601 -5.274 738 HA PRO 99 HA PRO 99 -8.126 -13.386 -6.434 739 HB2 PRO 99 1HB PRO 99 -10.085 -14.165 -8.146 740 HB3 PRO 99 2HB PRO 99 -8.490 -13.631 -8.690 741 HG2 PRO 99 1HG PRO 99 -9.541 -16.413 -8.353 742 HG3 PRO 99 2HG PRO 99 -8.567 -15.737 -9.672 743 HD2 PRO 99 1HD PRO 99 -7.493 -17.237 -7.689 744 HD3 PRO 99 2HD PRO 99 -6.601 -15.924 -8.484 745 H SER 100 H SER 100 -9.302 -16.625 -5.836 746 HA SER 100 HA SER 100 -11.875 -16.394 -5.104 747 HB2 SER 100 1HB SER 100 -10.577 -18.466 -4.832 748 HB3 SER 100 2HB SER 100 -9.753 -17.770 -3.436 749 HG SER 100 HG SER 100 -12.540 -17.793 -3.410 750 H SER 101 H SER 101 -9.219 -15.717 -2.816 751 HA SER 101 HA SER 101 -11.035 -13.860 -1.421 752 HB2 SER 101 1HB SER 101 -9.898 -14.432 0.674 753 HB3 SER 101 2HB SER 101 -10.579 -15.876 -0.075 754 HG SER 101 HG SER 101 -8.613 -16.603 -0.512 755 H GLY 102 H GLY 102 -10.399 -11.811 -1.439 756 HA2 GLY 102 1HA GLY 102 -8.042 -10.697 -0.741 757 HA3 GLY 102 2HA GLY 102 -7.768 -11.122 -2.425 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -42.010 -3.245 -12.606 2 HA2 GLY 1 1HA GLY 1 -41.718 -1.867 -10.763 3 HA3 GLY 1 2HA GLY 1 -42.540 -3.066 -9.775 4 H SER 2 H SER 2 -39.512 -1.839 -10.846 5 HA SER 2 HA SER 2 -38.152 -3.475 -8.860 6 HB2 SER 2 1HB SER 2 -36.377 -4.156 -10.424 7 HB3 SER 2 2HB SER 2 -37.943 -4.795 -10.923 8 HG SER 2 HG SER 2 -37.076 -2.330 -11.944 9 H SER 3 H SER 3 -36.250 -2.562 -8.074 10 HA SER 3 HA SER 3 -36.018 0.292 -8.543 11 HB2 SER 3 1HB SER 3 -34.743 -1.573 -6.537 12 HB3 SER 3 2HB SER 3 -34.337 0.140 -6.648 13 HG SER 3 HG SER 3 -36.042 0.497 -5.494 14 H GLY 4 H GLY 4 -33.987 1.339 -8.975 15 HA2 GLY 4 1HA GLY 4 -31.746 1.367 -9.729 16 HA3 GLY 4 2HA GLY 4 -31.876 -0.345 -10.104 17 H SER 5 H SER 5 -31.712 2.695 -11.411 18 HA SER 5 HA SER 5 -32.023 1.786 -14.063 19 HB2 SER 5 1HB SER 5 -34.034 2.976 -14.733 20 HB3 SER 5 2HB SER 5 -34.428 1.855 -13.431 21 HG SER 5 HG SER 5 -34.380 3.604 -11.988 22 H SER 6 H SER 6 -30.512 2.933 -15.049 23 HA SER 6 HA SER 6 -30.514 5.824 -14.877 24 HB2 SER 6 1HB SER 6 -28.259 6.074 -14.109 25 HB3 SER 6 2HB SER 6 -29.075 5.011 -12.963 26 HG SER 6 HG SER 6 -27.558 3.635 -13.381 27 H GLY 7 H GLY 7 -28.670 6.720 -16.305 28 HA2 GLY 7 1HA GLY 7 -27.365 5.263 -18.254 29 HA3 GLY 7 2HA GLY 7 -28.976 5.559 -18.892 30 H GLU 8 H GLU 8 -26.637 7.515 -17.041 31 HA GLU 8 HA GLU 8 -27.060 9.675 -18.992 32 HB2 GLU 8 1HB GLU 8 -26.167 9.719 -16.111 33 HB3 GLU 8 2HB GLU 8 -26.051 11.122 -17.164 34 HG2 GLU 8 1HG GLU 8 -28.523 9.712 -16.218 35 HG3 GLU 8 2HG GLU 8 -28.035 11.381 -15.930 36 HA PRO 9 HA PRO 9 -22.829 8.232 -20.015 37 HB2 PRO 9 1HB PRO 9 -23.013 8.908 -22.638 38 HB3 PRO 9 2HB PRO 9 -23.619 7.377 -21.996 39 HG2 PRO 9 1HG PRO 9 -25.117 9.889 -22.635 40 HG3 PRO 9 2HG PRO 9 -25.561 8.204 -22.971 41 HD2 PRO 9 1HD PRO 9 -26.595 9.596 -20.890 42 HD3 PRO 9 2HD PRO 9 -26.317 7.843 -20.824 43 H GLU 10 H GLU 10 -21.142 9.493 -21.415 44 HA GLU 10 HA GLU 10 -21.459 12.373 -21.326 45 HB2 GLU 10 1HB GLU 10 -19.576 10.874 -19.525 46 HB3 GLU 10 2HB GLU 10 -19.219 12.517 -20.040 47 HG2 GLU 10 1HG GLU 10 -20.256 12.810 -17.996 48 HG3 GLU 10 2HG GLU 10 -21.556 13.089 -19.152 49 H LYS 11 H LYS 11 -19.955 13.485 -22.594 50 HA LYS 11 HA LYS 11 -18.555 11.794 -24.524 51 HB2 LYS 11 1HB LYS 11 -20.178 13.833 -25.014 52 HB3 LYS 11 2HB LYS 11 -18.700 14.763 -24.801 53 HG2 LYS 11 1HG LYS 11 -18.708 12.413 -26.638 54 HG3 LYS 11 2HG LYS 11 -19.409 13.943 -27.166 55 HD2 LYS 11 1HD LYS 11 -17.234 15.031 -26.472 56 HD3 LYS 11 2HD LYS 11 -16.577 13.402 -26.295 57 HE2 LYS 11 1HE LYS 11 -17.237 12.972 -28.669 58 HE3 LYS 11 2HE LYS 11 -17.662 14.678 -28.801 59 HZ1 LYS 11 1HZ LYS 11 -15.173 13.538 -29.176 60 HZ2 LYS 11 2HZ LYS 11 -15.063 14.397 -27.723 61 HZ3 LYS 11 3HZ LYS 11 -15.547 15.187 -29.138 62 H LEU 12 H LEU 12 -17.322 11.838 -22.065 63 HA LEU 12 HA LEU 12 -15.440 12.491 -20.903 64 HB2 LEU 12 1HB LEU 12 -14.471 12.127 -23.731 65 HB3 LEU 12 2HB LEU 12 -13.398 12.273 -22.340 66 HG LEU 12 HG LEU 12 -15.454 10.090 -22.656 67 HD11 LEU 12 1HD1 LEU 12 -12.560 9.539 -22.944 68 HD12 LEU 12 2HD1 LEU 12 -13.375 10.307 -24.307 69 HD13 LEU 12 3HD1 LEU 12 -13.949 8.755 -23.699 70 HD21 LEU 12 1HD2 LEU 12 -14.791 10.574 -20.353 71 HD22 LEU 12 2HD2 LEU 12 -13.094 10.394 -20.800 72 HD23 LEU 12 3HD2 LEU 12 -14.179 9.005 -20.881 73 H GLY 13 H GLY 13 -16.821 14.754 -21.193 74 HA2 GLY 13 1HA GLY 13 -14.707 16.717 -21.758 75 HA3 GLY 13 2HA GLY 13 -16.297 16.944 -22.473 76 H GLN 14 H GLN 14 -15.420 15.813 -19.226 77 HA GLN 14 HA GLN 14 -15.997 18.262 -17.925 78 HB2 GLN 14 1HB GLN 14 -18.092 17.466 -16.768 79 HB3 GLN 14 2HB GLN 14 -18.282 17.885 -18.466 80 HG2 GLN 14 1HG GLN 14 -18.125 15.486 -19.034 81 HG3 GLN 14 2HG GLN 14 -18.060 15.116 -17.312 82 HE21 GLN 14 1HE2 GLN 14 -20.032 14.625 -19.590 83 HE22 GLN 14 2HE2 GLN 14 -21.555 15.083 -18.914 84 H ALA 15 H ALA 15 -14.758 18.184 -16.183 85 HA ALA 15 HA ALA 15 -14.852 15.966 -14.359 86 HB1 ALA 15 1HB ALA 15 -12.080 16.211 -14.800 87 HB2 ALA 15 2HB ALA 15 -13.110 14.810 -15.099 88 HB3 ALA 15 3HB ALA 15 -12.833 15.990 -16.380 89 H LEU 16 H LEU 16 -15.098 17.074 -12.529 90 HA LEU 16 HA LEU 16 -13.873 19.658 -12.146 91 HB2 LEU 16 1HB LEU 16 -15.540 17.943 -10.313 92 HB3 LEU 16 2HB LEU 16 -15.000 19.578 -9.941 93 HG LEU 16 HG LEU 16 -16.279 20.108 -12.209 94 HD11 LEU 16 1HD1 LEU 16 -17.187 18.184 -12.970 95 HD12 LEU 16 2HD1 LEU 16 -18.467 18.615 -11.836 96 HD13 LEU 16 3HD1 LEU 16 -17.237 17.441 -11.371 97 HD21 LEU 16 1HD2 LEU 16 -16.928 21.307 -10.350 98 HD22 LEU 16 2HD2 LEU 16 -17.274 19.859 -9.402 99 HD23 LEU 16 3HD2 LEU 16 -18.377 20.358 -10.685 100 H THR 17 H THR 17 -11.757 18.224 -12.506 101 HA THR 17 HA THR 17 -10.747 17.448 -9.850 102 HB THR 17 HB THR 17 -8.983 16.192 -11.053 103 HG1 THR 17 1HG THR 17 -8.969 16.099 -13.237 104 HG21 THR 17 1HG2 THR 17 -10.689 14.768 -10.429 105 HG22 THR 17 2HG2 THR 17 -10.665 14.525 -12.176 106 HG23 THR 17 3HG2 THR 17 -11.879 15.577 -11.447 107 H GLU 18 H GLU 18 -9.380 18.806 -8.912 108 HA GLU 18 HA GLU 18 -7.183 19.996 -10.210 109 HB2 GLU 18 1HB GLU 18 -7.855 22.366 -10.078 110 HB3 GLU 18 2HB GLU 18 -8.831 21.460 -11.226 111 HG2 GLU 18 1HG GLU 18 -10.542 21.222 -9.379 112 HG3 GLU 18 2HG GLU 18 -9.605 22.423 -8.492 113 H VAL 19 H VAL 19 -5.795 19.737 -8.590 114 HA VAL 19 HA VAL 19 -6.580 20.697 -5.914 115 HB VAL 19 HB VAL 19 -5.076 19.023 -4.938 116 HG11 VAL 19 1HG1 VAL 19 -7.588 18.600 -5.991 117 HG12 VAL 19 2HG1 VAL 19 -6.662 17.213 -6.570 118 HG13 VAL 19 3HG1 VAL 19 -6.754 17.555 -4.842 119 HG21 VAL 19 1HG2 VAL 19 -4.263 18.721 -7.694 120 HG22 VAL 19 2HG2 VAL 19 -3.462 18.179 -6.219 121 HG23 VAL 19 3HG2 VAL 19 -4.693 17.168 -6.977 122 H TYR 20 H TYR 20 -5.360 22.260 -5.077 123 HA TYR 20 HA TYR 20 -2.548 22.480 -5.694 124 HB2 TYR 20 1HB TYR 20 -2.923 24.963 -6.353 125 HB3 TYR 20 2HB TYR 20 -3.182 23.715 -7.569 126 HD1 TYR 20 2HD TYR 20 -5.489 23.074 -8.208 127 HD2 TYR 20 1HD TYR 20 -4.722 26.326 -5.574 128 HE1 TYR 20 2HE TYR 20 -7.771 23.911 -8.586 129 HE2 TYR 20 1HE TYR 20 -7.002 27.172 -5.944 130 HH TYR 20 HH TYR 20 -9.325 25.926 -6.704 131 H ALA 21 H ALA 21 -1.420 23.569 -4.138 132 HA ALA 21 HA ALA 21 -2.763 25.270 -2.228 133 HB1 ALA 21 1HB ALA 21 -2.301 22.469 -1.657 134 HB2 ALA 21 2HB ALA 21 -1.492 23.522 -0.495 135 HB3 ALA 21 3HB ALA 21 -3.230 23.667 -0.757 136 H LYS 22 H LYS 22 -1.353 26.559 -1.048 137 HA LYS 22 HA LYS 22 1.480 26.347 -1.830 138 HB2 LYS 22 1HB LYS 22 -0.325 28.706 -1.451 139 HB3 LYS 22 2HB LYS 22 1.404 28.889 -1.188 140 HG2 LYS 22 1HG LYS 22 1.580 27.765 -3.542 141 HG3 LYS 22 2HG LYS 22 -0.083 28.333 -3.708 142 HD2 LYS 22 1HD LYS 22 0.686 30.616 -3.123 143 HD3 LYS 22 2HD LYS 22 2.346 30.015 -3.088 144 HE2 LYS 22 1HE LYS 22 1.995 31.024 -5.216 145 HE3 LYS 22 2HE LYS 22 2.037 29.279 -5.459 146 HZ1 LYS 22 1HZ LYS 22 -0.475 30.830 -5.177 147 HZ2 LYS 22 2HZ LYS 22 -0.312 29.218 -5.661 148 HZ3 LYS 22 3HZ LYS 22 0.230 30.462 -6.670 149 H ALA 23 H ALA 23 0.562 24.893 0.345 150 HA ALA 23 HA ALA 23 2.149 26.085 2.465 151 HB1 ALA 23 1HB ALA 23 -0.025 25.154 3.902 152 HB2 ALA 23 2HB ALA 23 0.395 26.843 3.607 153 HB3 ALA 23 3HB ALA 23 -0.747 26.019 2.544 154 H ASN 24 H ASN 24 3.086 24.589 3.815 155 HA ASN 24 HA ASN 24 2.814 21.803 2.969 156 HB2 ASN 24 1HB ASN 24 5.055 23.184 3.268 157 HB3 ASN 24 2HB ASN 24 4.873 22.682 4.946 158 HD21 ASN 24 1HD2 ASN 24 3.814 20.179 4.664 159 HD22 ASN 24 2HD2 ASN 24 4.965 19.144 3.893 160 H SER 25 H SER 25 1.558 20.488 4.095 161 HA SER 25 HA SER 25 1.376 20.850 7.007 162 HB2 SER 25 1HB SER 25 -0.667 21.753 5.931 163 HB3 SER 25 2HB SER 25 -0.951 20.178 5.191 164 HG SER 25 HG SER 25 -1.104 19.311 7.311 165 H PHE 26 H PHE 26 2.016 19.086 8.033 166 HA PHE 26 HA PHE 26 2.852 16.735 6.935 167 HB2 PHE 26 1HB PHE 26 2.936 17.632 9.403 168 HB3 PHE 26 2HB PHE 26 1.500 16.634 9.605 169 HD1 PHE 26 2HD PHE 26 4.780 16.221 7.866 170 HD2 PHE 26 1HD PHE 26 1.952 14.643 10.629 171 HE1 PHE 26 2HE PHE 26 6.205 14.242 8.190 172 HE2 PHE 26 1HE PHE 26 3.374 12.661 10.957 173 HZ PHE 26 HZ PHE 26 5.503 12.458 9.737 174 H THR 27 H THR 27 1.828 15.319 5.702 175 HA THR 27 HA THR 27 -1.043 14.865 6.121 176 HB THR 27 HB THR 27 0.692 14.171 3.743 177 HG1 THR 27 1HG THR 27 -1.443 16.024 3.772 178 HG21 THR 27 1HG2 THR 27 -0.923 12.704 3.247 179 HG22 THR 27 2HG2 THR 27 -1.969 14.098 2.975 180 HG23 THR 27 3HG2 THR 27 -1.960 13.295 4.545 181 H VAL 28 H VAL 28 -1.726 13.033 7.013 182 HA VAL 28 HA VAL 28 0.065 10.693 6.972 183 HB VAL 28 HB VAL 28 -1.733 11.539 9.247 184 HG11 VAL 28 1HG1 VAL 28 -1.407 9.043 8.782 185 HG12 VAL 28 2HG1 VAL 28 0.264 9.299 9.291 186 HG13 VAL 28 3HG1 VAL 28 -1.061 9.624 10.410 187 HG21 VAL 28 1HG2 VAL 28 0.429 11.777 10.478 188 HG22 VAL 28 2HG2 VAL 28 1.266 11.575 8.938 189 HG23 VAL 28 3HG2 VAL 28 0.196 12.955 9.185 190 H SER 29 H SER 29 -0.822 9.216 5.688 191 HA SER 29 HA SER 29 -3.710 8.698 5.950 192 HB2 SER 29 1HB SER 29 -3.843 8.232 3.565 193 HB3 SER 29 2HB SER 29 -3.193 9.853 3.808 194 HG SER 29 HG SER 29 -1.536 7.588 3.454 195 H SER 30 H SER 30 -4.376 6.537 5.706 196 HA SER 30 HA SER 30 -2.203 4.579 6.054 197 HB2 SER 30 1HB SER 30 -3.879 3.198 7.263 198 HB3 SER 30 2HB SER 30 -3.603 4.759 8.036 199 HG SER 30 HG SER 30 -5.510 5.463 6.787 200 H VAL 31 H VAL 31 -2.425 2.509 5.085 201 HA VAL 31 HA VAL 31 -4.232 2.488 2.754 202 HB VAL 31 HB VAL 31 -1.434 1.420 3.058 203 HG11 VAL 31 1HG1 VAL 31 -2.743 -0.354 2.052 204 HG12 VAL 31 2HG1 VAL 31 -3.419 0.779 0.878 205 HG13 VAL 31 3HG1 VAL 31 -1.698 0.388 0.839 206 HG21 VAL 31 1HG2 VAL 31 -2.457 3.791 2.037 207 HG22 VAL 31 2HG2 VAL 31 -0.835 3.149 1.784 208 HG23 VAL 31 3HG2 VAL 31 -2.110 2.812 0.612 209 H ALA 32 H ALA 32 -5.329 0.610 2.253 210 HA ALA 32 HA ALA 32 -5.866 -1.152 4.445 211 HB1 ALA 32 1HB ALA 32 -7.586 -0.385 2.814 212 HB2 ALA 32 2HB ALA 32 -6.819 -1.407 1.598 213 HB3 ALA 32 3HB ALA 32 -7.534 -2.134 3.036 214 H ALA 33 H ALA 33 -4.346 -2.601 4.979 215 HA ALA 33 HA ALA 33 -3.566 -4.561 2.965 216 HB1 ALA 33 1HB ALA 33 -1.334 -3.683 4.679 217 HB2 ALA 33 2HB ALA 33 -1.341 -4.188 2.989 218 HB3 ALA 33 3HB ALA 33 -1.838 -2.552 3.424 219 HA PRO 34 HA PRO 34 -4.327 -7.307 6.329 220 HB2 PRO 34 1HB PRO 34 -3.068 -9.506 5.353 221 HB3 PRO 34 2HB PRO 34 -4.620 -8.932 4.731 222 HG2 PRO 34 1HG PRO 34 -1.870 -8.524 3.623 223 HG3 PRO 34 2HG PRO 34 -3.372 -8.926 2.770 224 HD2 PRO 34 1HD PRO 34 -2.364 -6.413 2.843 225 HD3 PRO 34 2HD PRO 34 -4.108 -6.741 2.778 226 H SER 35 H SER 35 -2.878 -9.189 7.432 227 HA SER 35 HA SER 35 -0.219 -8.078 8.002 228 HB2 SER 35 1HB SER 35 -2.357 -8.803 10.007 229 HB3 SER 35 2HB SER 35 -0.652 -8.685 10.445 230 HG SER 35 HG SER 35 -2.445 -6.721 10.148 231 H TRP 36 H TRP 36 -1.930 -10.639 6.950 232 HA TRP 36 HA TRP 36 -0.538 -12.752 8.336 233 HB2 TRP 36 1HB TRP 36 -1.715 -14.245 6.761 234 HB3 TRP 36 2HB TRP 36 -2.818 -13.128 7.559 235 HD1 TRP 36 HD TRP 36 -4.100 -11.382 6.052 236 HE1 TRP 36 1HE TRP 36 -4.369 -11.122 3.506 237 HE3 TRP 36 3HE TRP 36 -0.413 -14.573 4.515 238 HZ2 TRP 36 2HZ TRP 36 -3.177 -12.135 1.157 239 HZ3 TRP 36 3HZ TRP 36 -0.042 -14.872 2.101 240 HH2 TRP 36 HH TRP 36 -1.396 -13.677 0.458 241 H LEU 37 H LEU 37 0.063 -10.745 5.646 242 HA LEU 37 HA LEU 37 2.145 -12.581 4.664 243 HB2 LEU 37 1HB LEU 37 2.092 -10.965 2.654 244 HB3 LEU 37 2HB LEU 37 0.806 -12.156 2.834 245 HG LEU 37 HG LEU 37 -0.555 -10.290 3.910 246 HD11 LEU 37 1HD1 LEU 37 1.484 -8.833 4.237 247 HD12 LEU 37 2HD1 LEU 37 0.070 -8.045 3.539 248 HD13 LEU 37 3HD1 LEU 37 1.419 -8.511 2.503 249 HD21 LEU 37 1HD2 LEU 37 -1.550 -9.979 1.918 250 HD22 LEU 37 2HD2 LEU 37 -0.374 -11.167 1.354 251 HD23 LEU 37 3HD2 LEU 37 -0.061 -9.444 1.139 252 H HIS 38 H HIS 38 2.095 -10.492 6.915 253 HA HIS 38 HA HIS 38 3.644 -8.285 6.332 254 HB2 HIS 38 1HB HIS 38 3.225 -9.946 8.767 255 HB3 HIS 38 2HB HIS 38 4.569 -8.809 8.782 256 HD2 HIS 38 2HD HIS 38 2.309 -6.785 6.866 257 HE1 HIS 38 1HE HIS 38 0.832 -6.299 10.813 258 HE2 HIS 38 2HE HIS 38 0.745 -5.457 8.441 259 H ARG 39 H ARG 39 4.755 -11.540 7.235 260 HA ARG 39 HA ARG 39 7.488 -11.066 7.246 261 HB2 ARG 39 1HB ARG 39 7.767 -13.457 6.893 262 HB3 ARG 39 2HB ARG 39 6.447 -13.162 8.016 263 HG2 ARG 39 1HG ARG 39 4.843 -13.865 6.534 264 HG3 ARG 39 2HG ARG 39 5.834 -13.496 5.122 265 HD2 ARG 39 1HD ARG 39 6.441 -15.711 7.073 266 HD3 ARG 39 2HD ARG 39 5.524 -15.938 5.584 267 HE ARG 39 HE ARG 39 7.785 -14.799 4.690 268 HH11 ARG 39 1HH1 ARG 39 7.210 -17.475 6.842 269 HH12 ARG 39 2HH1 ARG 39 8.665 -18.307 6.406 270 HH21 ARG 39 1HH2 ARG 39 9.703 -15.886 4.106 271 HH22 ARG 39 2HH2 ARG 39 10.083 -17.403 4.850 272 H PHE 40 H PHE 40 5.311 -11.061 4.618 273 HA PHE 40 HA PHE 40 7.456 -11.424 2.657 274 HB2 PHE 40 1HB PHE 40 4.450 -11.325 2.388 275 HB3 PHE 40 2HB PHE 40 5.535 -11.344 1.002 276 HD1 PHE 40 2HD PHE 40 7.336 -13.289 1.073 277 HD2 PHE 40 1HD PHE 40 3.606 -13.323 3.125 278 HE1 PHE 40 2HE PHE 40 7.414 -15.746 1.169 279 HE2 PHE 40 1HE PHE 40 3.679 -15.780 3.224 280 HZ PHE 40 HZ PHE 40 5.584 -16.996 2.243 281 H ILE 41 H ILE 41 4.863 -9.129 3.467 282 HA ILE 41 HA ILE 41 5.460 -7.152 1.612 283 HB ILE 41 HB ILE 41 3.511 -7.325 3.341 284 HG12 ILE 41 1HG1 ILE 41 4.577 -4.553 2.858 285 HG13 ILE 41 2HG1 ILE 41 4.011 -5.553 1.525 286 HG21 ILE 41 1HG2 ILE 41 3.726 -6.085 5.333 287 HG22 ILE 41 2HG2 ILE 41 5.150 -7.121 5.264 288 HG23 ILE 41 3HG2 ILE 41 5.281 -5.415 4.841 289 HD11 ILE 41 1HD1 ILE 41 1.861 -5.791 2.933 290 HD12 ILE 41 2HD1 ILE 41 2.466 -4.372 3.787 291 HD13 ILE 41 3HD1 ILE 41 2.156 -4.293 2.052 292 H ILE 42 H ILE 42 7.059 -7.978 4.590 293 HA ILE 42 HA ILE 42 8.652 -5.542 4.579 294 HB ILE 42 HB ILE 42 8.698 -7.920 6.438 295 HG12 ILE 42 1HG1 ILE 42 7.793 -5.103 7.022 296 HG13 ILE 42 2HG1 ILE 42 6.688 -6.349 6.452 297 HG21 ILE 42 1HG2 ILE 42 10.768 -7.207 6.915 298 HG22 ILE 42 2HG2 ILE 42 10.526 -5.662 6.103 299 HG23 ILE 42 3HG2 ILE 42 9.952 -5.889 7.755 300 HD11 ILE 42 1HD1 ILE 42 8.375 -6.866 8.852 301 HD12 ILE 42 2HD1 ILE 42 6.924 -5.872 8.991 302 HD13 ILE 42 3HD1 ILE 42 6.803 -7.534 8.415 303 H GLY 43 H GLY 43 9.246 -9.059 4.445 304 HA2 GLY 43 1HA GLY 43 10.737 -10.096 2.928 305 HA3 GLY 43 2HA GLY 43 11.518 -8.542 2.671 306 H LYS 44 H LYS 44 13.315 -10.310 2.950 307 HA LYS 44 HA LYS 44 13.950 -11.078 5.626 308 HB2 LYS 44 1HB LYS 44 14.697 -12.267 3.526 309 HB3 LYS 44 2HB LYS 44 15.834 -10.951 3.270 310 HG2 LYS 44 1HG LYS 44 17.080 -12.641 4.295 311 HG3 LYS 44 2HG LYS 44 16.738 -11.485 5.584 312 HD2 LYS 44 1HD LYS 44 14.869 -12.892 6.332 313 HD3 LYS 44 2HD LYS 44 15.240 -14.053 5.056 314 HE2 LYS 44 1HE LYS 44 17.404 -13.272 6.943 315 HE3 LYS 44 2HE LYS 44 16.146 -14.365 7.516 316 HZ1 LYS 44 1HZ LYS 44 18.319 -14.869 5.715 317 HZ2 LYS 44 2HZ LYS 44 16.834 -15.395 5.100 318 HZ3 LYS 44 3HZ LYS 44 17.376 -15.960 6.600 319 H LYS 45 H LYS 45 14.842 -9.883 7.165 320 HA LYS 45 HA LYS 45 15.799 -8.116 8.241 321 HB2 LYS 45 1HB LYS 45 17.637 -8.741 5.980 322 HB3 LYS 45 2HB LYS 45 17.938 -7.273 6.901 323 HG2 LYS 45 1HG LYS 45 19.255 -8.849 7.966 324 HG3 LYS 45 2HG LYS 45 17.803 -8.800 8.969 325 HD2 LYS 45 1HD LYS 45 16.996 -10.737 7.434 326 HD3 LYS 45 2HD LYS 45 18.709 -10.906 7.046 327 HE2 LYS 45 1HE LYS 45 18.480 -12.357 8.824 328 HE3 LYS 45 2HE LYS 45 19.019 -10.883 9.629 329 HZ1 LYS 45 1HZ LYS 45 17.191 -10.936 10.850 330 HZ2 LYS 45 2HZ LYS 45 16.663 -12.335 10.061 331 HZ3 LYS 45 3HZ LYS 45 16.230 -10.813 9.463 332 H GLY 46 H GLY 46 13.605 -7.407 6.644 333 HA2 GLY 46 1HA GLY 46 12.556 -5.554 5.784 334 HA3 GLY 46 2HA GLY 46 13.815 -4.625 6.584 335 H GLN 47 H GLN 47 13.811 -6.881 3.824 336 HA GLN 47 HA GLN 47 15.645 -5.211 2.377 337 HB2 GLN 47 1HB GLN 47 15.736 -7.655 2.189 338 HB3 GLN 47 2HB GLN 47 14.119 -7.670 1.499 339 HG2 GLN 47 1HG GLN 47 15.741 -7.923 -0.250 340 HG3 GLN 47 2HG GLN 47 14.945 -6.358 -0.410 341 HE21 GLN 47 1HE2 GLN 47 17.822 -7.849 -0.635 342 HE22 GLN 47 2HE2 GLN 47 18.881 -6.528 -0.294 343 H ASN 48 H ASN 48 12.250 -6.179 1.941 344 HA ASN 48 HA ASN 48 11.819 -4.583 -0.359 345 HB2 ASN 48 1HB ASN 48 9.871 -5.744 1.644 346 HB3 ASN 48 2HB ASN 48 9.395 -4.965 0.138 347 HD21 ASN 48 1HD2 ASN 48 9.467 -7.823 1.385 348 HD22 ASN 48 2HD2 ASN 48 9.988 -8.794 0.054 349 H LEU 49 H LEU 49 11.472 -4.006 3.088 350 HA LEU 49 HA LEU 49 10.054 -1.562 2.886 351 HB2 LEU 49 1HB LEU 49 11.654 -2.904 5.021 352 HB3 LEU 49 2HB LEU 49 11.137 -1.233 5.236 353 HG LEU 49 HG LEU 49 9.288 -3.572 4.770 354 HD11 LEU 49 1HD1 LEU 49 10.051 -2.105 7.287 355 HD12 LEU 49 2HD1 LEU 49 10.295 -3.813 6.923 356 HD13 LEU 49 3HD1 LEU 49 8.662 -3.185 7.149 357 HD21 LEU 49 1HD2 LEU 49 8.925 -0.646 4.930 358 HD22 LEU 49 2HD2 LEU 49 7.762 -1.630 5.820 359 HD23 LEU 49 3HD2 LEU 49 7.972 -1.866 4.084 360 H ALA 50 H ALA 50 13.503 -2.317 3.245 361 HA ALA 50 HA ALA 50 14.529 0.233 3.495 362 HB1 ALA 50 1HB ALA 50 16.151 -1.437 1.749 363 HB2 ALA 50 2HB ALA 50 16.505 -0.792 3.351 364 HB3 ALA 50 3HB ALA 50 15.585 -2.288 3.185 365 H LYS 51 H LYS 51 13.470 -1.455 0.594 366 HA LYS 51 HA LYS 51 14.507 0.314 -1.320 367 HB2 LYS 51 1HB LYS 51 12.308 -1.700 -1.271 368 HB3 LYS 51 2HB LYS 51 12.358 -0.565 -2.613 369 HG2 LYS 51 1HG LYS 51 14.750 -2.195 -1.824 370 HG3 LYS 51 2HG LYS 51 13.516 -2.806 -2.928 371 HD2 LYS 51 1HD LYS 51 14.698 -0.122 -3.454 372 HD3 LYS 51 2HD LYS 51 15.662 -1.555 -3.821 373 HE2 LYS 51 1HE LYS 51 13.543 -2.378 -5.050 374 HE3 LYS 51 2HE LYS 51 13.041 -0.689 -4.987 375 HZ1 LYS 51 1HZ LYS 51 15.504 -1.758 -6.254 376 HZ2 LYS 51 2HZ LYS 51 15.148 -0.112 -6.099 377 HZ3 LYS 51 3HZ LYS 51 14.160 -1.105 -7.047 378 H ILE 52 H ILE 52 11.171 0.135 -0.059 379 HA ILE 52 HA ILE 52 10.210 2.444 -1.268 380 HB ILE 52 HB ILE 52 9.376 1.358 1.424 381 HG12 ILE 52 1HG1 ILE 52 8.122 0.753 -1.252 382 HG13 ILE 52 2HG1 ILE 52 9.380 -0.262 -0.553 383 HG21 ILE 52 1HG2 ILE 52 7.168 2.377 0.750 384 HG22 ILE 52 2HG2 ILE 52 8.450 3.518 1.153 385 HG23 ILE 52 3HG2 ILE 52 8.043 3.211 -0.534 386 HD11 ILE 52 1HD1 ILE 52 7.513 0.042 1.478 387 HD12 ILE 52 2HD1 ILE 52 6.559 -0.177 0.010 388 HD13 ILE 52 3HD1 ILE 52 7.766 -1.379 0.465 389 H THR 53 H THR 53 11.644 2.053 1.962 390 HA THR 53 HA THR 53 11.440 4.779 2.690 391 HB THR 53 HB THR 53 13.180 4.203 4.417 392 HG1 THR 53 1HG THR 53 14.265 2.409 4.172 393 HG21 THR 53 1HG2 THR 53 11.395 3.665 5.634 394 HG22 THR 53 2HG2 THR 53 11.428 2.032 4.968 395 HG23 THR 53 3HG2 THR 53 10.498 3.295 4.162 396 H GLN 54 H GLN 54 13.690 3.023 0.742 397 HA GLN 54 HA GLN 54 15.885 4.816 0.960 398 HB2 GLN 54 1HB GLN 54 16.246 2.555 0.187 399 HB3 GLN 54 2HB GLN 54 15.156 2.803 -1.171 400 HG2 GLN 54 1HG GLN 54 16.669 4.305 -2.218 401 HG3 GLN 54 2HG GLN 54 17.698 4.358 -0.786 402 HE21 GLN 54 1HE2 GLN 54 17.487 3.149 -3.792 403 HE22 GLN 54 2HE2 GLN 54 18.466 1.736 -3.625 404 H GLN 55 H GLN 55 13.004 4.723 -1.001 405 HA GLN 55 HA GLN 55 13.961 6.917 -2.674 406 HB2 GLN 55 1HB GLN 55 11.512 5.164 -2.783 407 HB3 GLN 55 2HB GLN 55 11.700 6.581 -3.806 408 HG2 GLN 55 1HG GLN 55 13.383 4.093 -3.777 409 HG3 GLN 55 2HG GLN 55 12.354 4.694 -5.076 410 HE21 GLN 55 1HE2 GLN 55 15.446 4.346 -4.179 411 HE22 GLN 55 2HE2 GLN 55 16.170 5.657 -5.039 412 H MET 56 H MET 56 11.595 6.211 -0.179 413 HA MET 56 HA MET 56 10.919 9.078 -0.094 414 HB2 MET 56 1HB MET 56 9.204 6.694 0.616 415 HB3 MET 56 2HB MET 56 8.758 8.363 0.947 416 HG2 MET 56 1HG MET 56 7.658 7.593 -1.050 417 HG3 MET 56 2HG MET 56 8.831 8.844 -1.454 418 HE1 MET 56 1HE MET 56 8.635 5.218 -0.652 419 HE2 MET 56 2HE MET 56 8.068 4.806 -2.270 420 HE3 MET 56 3HE MET 56 9.714 4.402 -1.784 421 HA PRO 57 HA PRO 57 13.107 7.985 3.842 422 HB2 PRO 57 1HB PRO 57 14.593 10.256 3.912 423 HB3 PRO 57 2HB PRO 57 15.094 8.807 3.032 424 HG2 PRO 57 1HG PRO 57 13.792 11.297 1.998 425 HG3 PRO 57 2HG PRO 57 15.133 10.365 1.305 426 HD2 PRO 57 1HD PRO 57 12.590 10.151 0.401 427 HD3 PRO 57 2HD PRO 57 13.726 8.787 0.386 428 H LYS 58 H LYS 58 11.281 10.701 2.686 429 HA LYS 58 HA LYS 58 10.990 11.892 5.313 430 HB2 LYS 58 1HB LYS 58 9.655 12.556 2.681 431 HB3 LYS 58 2HB LYS 58 9.509 13.500 4.158 432 HG2 LYS 58 1HG LYS 58 12.121 13.572 4.010 433 HG3 LYS 58 2HG LYS 58 11.822 13.220 2.305 434 HD2 LYS 58 1HD LYS 58 10.352 15.178 2.166 435 HD3 LYS 58 2HD LYS 58 10.663 15.530 3.868 436 HE2 LYS 58 1HE LYS 58 13.048 15.806 3.360 437 HE3 LYS 58 2HE LYS 58 12.721 15.473 1.660 438 HZ1 LYS 58 1HZ LYS 58 12.895 17.868 2.211 439 HZ2 LYS 58 2HZ LYS 58 11.508 17.723 3.168 440 HZ3 LYS 58 3HZ LYS 58 11.419 17.446 1.501 441 H VAL 59 H VAL 59 9.479 9.456 3.493 442 HA VAL 59 HA VAL 59 6.925 9.725 4.889 443 HB VAL 59 HB VAL 59 7.798 7.814 2.718 444 HG11 VAL 59 1HG1 VAL 59 5.021 7.810 2.885 445 HG12 VAL 59 2HG1 VAL 59 6.113 6.514 3.374 446 HG13 VAL 59 3HG1 VAL 59 5.571 7.705 4.557 447 HG21 VAL 59 1HG2 VAL 59 7.539 9.958 1.775 448 HG22 VAL 59 2HG2 VAL 59 6.033 9.108 1.427 449 HG23 VAL 59 3HG2 VAL 59 6.096 10.294 2.733 450 H HIS 60 H HIS 60 6.555 8.682 6.723 451 HA HIS 60 HA HIS 60 8.370 6.561 7.563 452 HB2 HIS 60 1HB HIS 60 6.440 8.369 8.942 453 HB3 HIS 60 2HB HIS 60 6.810 6.821 9.696 454 HD1 HIS 60 1HD HIS 60 9.769 6.559 9.317 455 HD2 HIS 60 2HD HIS 60 7.951 10.173 10.269 456 HE1 HIS 60 1HE HIS 60 11.570 7.961 10.372 457 H ILE 61 H ILE 61 7.869 4.473 7.477 458 HA ILE 61 HA ILE 61 5.101 3.733 6.834 459 HB ILE 61 HB ILE 61 7.617 2.084 6.555 460 HG12 ILE 61 1HG1 ILE 61 5.961 3.392 4.389 461 HG13 ILE 61 2HG1 ILE 61 7.451 4.076 5.032 462 HG21 ILE 61 1HG2 ILE 61 6.364 0.344 5.857 463 HG22 ILE 61 2HG2 ILE 61 5.116 1.126 6.827 464 HG23 ILE 61 3HG2 ILE 61 5.166 1.379 5.083 465 HD11 ILE 61 1HD1 ILE 61 8.259 1.574 4.370 466 HD12 ILE 61 2HD1 ILE 61 7.042 1.892 3.132 467 HD13 ILE 61 3HD1 ILE 61 8.407 2.991 3.331 468 H GLU 62 H GLU 62 3.875 2.772 8.310 469 HA GLU 62 HA GLU 62 5.194 1.407 10.563 470 HB2 GLU 62 1HB GLU 62 4.286 3.455 11.417 471 HB3 GLU 62 2HB GLU 62 2.755 3.185 10.594 472 HG2 GLU 62 1HG GLU 62 2.351 2.680 12.840 473 HG3 GLU 62 2HG GLU 62 2.503 1.119 12.034 474 H PHE 63 H PHE 63 4.116 -0.402 11.442 475 HA PHE 63 HA PHE 63 1.987 -1.515 9.739 476 HB2 PHE 63 1HB PHE 63 4.561 -2.714 10.625 477 HB3 PHE 63 2HB PHE 63 3.153 -3.770 10.585 478 HD1 PHE 63 2HD PHE 63 1.758 -3.674 8.365 479 HD2 PHE 63 1HD PHE 63 5.826 -2.473 8.722 480 HE1 PHE 63 2HE PHE 63 2.059 -3.983 5.942 481 HE2 PHE 63 1HE PHE 63 6.132 -2.779 6.299 482 HZ PHE 63 HZ PHE 63 4.248 -3.537 4.908 483 H THR 64 H THR 64 0.185 -1.939 10.812 484 HA THR 64 HA THR 64 0.203 -1.946 13.720 485 HB THR 64 HB THR 64 -2.260 -1.956 13.532 486 HG1 THR 64 1HG THR 64 -2.749 -2.981 11.673 487 HG21 THR 64 1HG2 THR 64 -2.373 0.276 13.116 488 HG22 THR 64 2HG2 THR 64 -1.482 0.148 11.600 489 HG23 THR 64 3HG2 THR 64 -0.616 0.125 13.135 490 H GLU 65 H GLU 65 -1.065 -3.575 14.911 491 HA GLU 65 HA GLU 65 -0.568 -6.242 13.799 492 HB2 GLU 65 1HB GLU 65 -0.712 -7.042 16.105 493 HB3 GLU 65 2HB GLU 65 0.470 -5.749 15.963 494 HG2 GLU 65 1HG GLU 65 -0.641 -5.203 17.903 495 HG3 GLU 65 2HG GLU 65 -1.461 -4.208 16.700 496 H GLY 66 H GLY 66 -3.084 -4.327 15.403 497 HA2 GLY 66 1HA GLY 66 -5.045 -6.417 14.737 498 HA3 GLY 66 2HA GLY 66 -5.281 -5.135 15.916 499 H GLU 67 H GLU 67 -4.437 -2.951 14.349 500 HA GLU 67 HA GLU 67 -6.799 -2.243 13.065 501 HB2 GLU 67 1HB GLU 67 -4.025 -1.139 12.585 502 HB3 GLU 67 2HB GLU 67 -5.529 -0.357 12.119 503 HG2 GLU 67 1HG GLU 67 -4.950 0.725 14.077 504 HG3 GLU 67 2HG GLU 67 -6.127 -0.474 14.611 505 H ASP 68 H ASP 68 -4.234 -4.210 11.966 506 HA ASP 68 HA ASP 68 -3.678 -5.106 9.937 507 HB2 ASP 68 1HB ASP 68 -5.642 -5.935 8.641 508 HB3 ASP 68 2HB ASP 68 -5.710 -6.338 10.354 509 H LYS 69 H LYS 69 -3.122 -2.508 9.798 510 HA LYS 69 HA LYS 69 -3.569 -1.912 7.011 511 HB2 LYS 69 1HB LYS 69 -4.392 0.401 7.469 512 HB3 LYS 69 2HB LYS 69 -5.541 -0.861 7.893 513 HG2 LYS 69 1HG LYS 69 -5.381 -0.453 10.127 514 HG3 LYS 69 2HG LYS 69 -3.718 0.127 10.016 515 HD2 LYS 69 1HD LYS 69 -4.514 2.193 8.966 516 HD3 LYS 69 2HD LYS 69 -6.177 1.612 9.087 517 HE2 LYS 69 1HE LYS 69 -5.947 1.529 11.535 518 HE3 LYS 69 2HE LYS 69 -4.306 2.157 11.390 519 HZ1 LYS 69 1HZ LYS 69 -5.245 4.150 11.571 520 HZ2 LYS 69 2HZ LYS 69 -6.804 3.554 11.296 521 HZ3 LYS 69 3HZ LYS 69 -5.802 3.938 9.988 522 H ILE 70 H ILE 70 -2.218 -0.144 6.247 523 HA ILE 70 HA ILE 70 0.191 0.133 7.903 524 HB ILE 70 HB ILE 70 -0.158 0.552 4.932 525 HG12 ILE 70 1HG1 ILE 70 1.395 -1.618 6.341 526 HG13 ILE 70 2HG1 ILE 70 -0.279 -1.822 5.837 527 HG21 ILE 70 1HG2 ILE 70 1.912 1.396 4.816 528 HG22 ILE 70 2HG2 ILE 70 1.719 1.718 6.539 529 HG23 ILE 70 3HG2 ILE 70 2.544 0.254 6.002 530 HD11 ILE 70 1HD1 ILE 70 1.979 -1.132 3.976 531 HD12 ILE 70 2HD1 ILE 70 1.373 -2.764 4.258 532 HD13 ILE 70 3HD1 ILE 70 0.321 -1.545 3.538 533 H THR 71 H THR 71 0.529 1.998 8.892 534 HA THR 71 HA THR 71 -0.945 4.371 8.049 535 HB THR 71 HB THR 71 0.771 3.911 10.497 536 HG1 THR 71 1HG THR 71 -2.055 3.947 10.114 537 HG21 THR 71 1HG2 THR 71 0.781 6.245 10.050 538 HG22 THR 71 2HG2 THR 71 -0.431 5.987 11.306 539 HG23 THR 71 3HG2 THR 71 -0.932 6.242 9.634 540 H LEU 72 H LEU 72 -0.053 5.900 6.839 541 HA LEU 72 HA LEU 72 2.882 6.008 6.648 542 HB2 LEU 72 1HB LEU 72 0.726 6.770 4.692 543 HB3 LEU 72 2HB LEU 72 2.417 7.221 4.481 544 HG LEU 72 HG LEU 72 1.958 5.312 3.113 545 HD11 LEU 72 1HD1 LEU 72 3.706 3.921 3.766 546 HD12 LEU 72 2HD1 LEU 72 3.388 4.164 5.484 547 HD13 LEU 72 3HD1 LEU 72 4.099 5.464 4.526 548 HD21 LEU 72 1HD2 LEU 72 0.753 3.490 3.711 549 HD22 LEU 72 2HD2 LEU 72 0.045 4.635 4.851 550 HD23 LEU 72 3HD2 LEU 72 1.312 3.528 5.383 551 H GLU 73 H GLU 73 3.950 7.967 6.800 552 HA GLU 73 HA GLU 73 2.346 10.331 7.465 553 HB2 GLU 73 1HB GLU 73 4.645 9.243 9.097 554 HB3 GLU 73 2HB GLU 73 3.966 10.850 9.307 555 HG2 GLU 73 1HG GLU 73 1.958 10.032 10.142 556 HG3 GLU 73 2HG GLU 73 2.233 8.419 9.486 557 H GLY 74 H GLY 74 3.026 12.125 6.471 558 HA2 GLY 74 1HA GLY 74 5.415 13.227 6.086 559 HA3 GLY 74 2HA GLY 74 5.449 11.968 4.860 560 HA PRO 75 HA PRO 75 3.609 15.815 3.009 561 HB2 PRO 75 1HB PRO 75 5.172 15.788 0.790 562 HB3 PRO 75 2HB PRO 75 5.660 16.568 2.299 563 HG2 PRO 75 1HG PRO 75 6.422 13.880 1.223 564 HG3 PRO 75 2HG PRO 75 7.441 15.101 2.006 565 HD2 PRO 75 1HD PRO 75 6.502 12.929 3.320 566 HD3 PRO 75 2HD PRO 75 6.767 14.490 4.123 567 H THR 76 H THR 76 1.805 15.582 1.859 568 HA THR 76 HA THR 76 0.744 13.280 0.890 569 HB THR 76 HB THR 76 -0.565 15.329 1.047 570 HG1 THR 76 1HG THR 76 -0.502 13.776 -1.250 571 HG21 THR 76 1HG2 THR 76 -0.020 16.585 -1.432 572 HG22 THR 76 2HG2 THR 76 1.518 16.387 -0.591 573 HG23 THR 76 3HG2 THR 76 0.188 17.240 0.192 574 H GLU 77 H GLU 77 3.092 15.327 -0.694 575 HA GLU 77 HA GLU 77 2.867 14.340 -3.309 576 HB2 GLU 77 1HB GLU 77 4.135 16.352 -2.807 577 HB3 GLU 77 2HB GLU 77 5.282 15.424 -1.850 578 HG2 GLU 77 1HG GLU 77 6.103 14.303 -3.789 579 HG3 GLU 77 2HG GLU 77 4.829 14.995 -4.791 580 H ASP 78 H ASP 78 5.179 13.410 -0.757 581 HA ASP 78 HA ASP 78 6.172 11.176 -2.230 582 HB2 ASP 78 1HB ASP 78 6.431 11.867 0.705 583 HB3 ASP 78 2HB ASP 78 7.335 10.599 -0.118 584 H VAL 79 H VAL 79 3.937 11.532 0.503 585 HA VAL 79 HA VAL 79 3.454 8.932 1.178 586 HB VAL 79 HB VAL 79 1.363 11.097 0.908 587 HG11 VAL 79 1HG1 VAL 79 -0.073 9.834 2.203 588 HG12 VAL 79 2HG1 VAL 79 0.679 8.600 1.190 589 HG13 VAL 79 3HG1 VAL 79 1.224 8.831 2.852 590 HG21 VAL 79 1HG2 VAL 79 2.454 10.413 3.548 591 HG22 VAL 79 2HG2 VAL 79 3.593 11.192 2.450 592 HG23 VAL 79 3HG2 VAL 79 2.071 11.987 2.850 593 H SER 80 H SER 80 2.175 10.686 -1.603 594 HA SER 80 HA SER 80 0.348 8.710 -2.453 595 HB2 SER 80 1HB SER 80 0.170 9.951 -4.478 596 HB3 SER 80 2HB SER 80 0.449 11.140 -3.204 597 HG SER 80 HG SER 80 2.108 10.332 -5.288 598 H VAL 81 H VAL 81 3.765 9.244 -3.099 599 HA VAL 81 HA VAL 81 3.954 7.208 -5.107 600 HB VAL 81 HB VAL 81 6.177 8.483 -3.508 601 HG11 VAL 81 1HG1 VAL 81 6.745 7.619 -6.227 602 HG12 VAL 81 2HG1 VAL 81 7.636 7.316 -4.734 603 HG13 VAL 81 3HG1 VAL 81 6.271 6.288 -5.172 604 HG21 VAL 81 1HG2 VAL 81 6.132 10.286 -4.850 605 HG22 VAL 81 2HG2 VAL 81 5.718 9.340 -6.279 606 HG23 VAL 81 3HG2 VAL 81 4.459 9.812 -5.138 607 H ALA 82 H ALA 82 4.862 7.439 -1.681 608 HA ALA 82 HA ALA 82 5.928 4.826 -1.486 609 HB1 ALA 82 1HB ALA 82 4.997 5.525 1.051 610 HB2 ALA 82 2HB ALA 82 6.624 5.751 0.410 611 HB3 ALA 82 3HB ALA 82 5.438 7.048 0.278 612 H GLN 83 H GLN 83 2.800 6.138 -0.372 613 HA GLN 83 HA GLN 83 1.680 3.756 0.501 614 HB2 GLN 83 1HB GLN 83 -0.330 4.889 0.635 615 HB3 GLN 83 2HB GLN 83 0.820 6.221 0.634 616 HG2 GLN 83 1HG GLN 83 0.404 6.662 -1.680 617 HG3 GLN 83 2HG GLN 83 -0.596 5.217 -1.822 618 HE21 GLN 83 1HE2 GLN 83 -2.687 5.572 -1.785 619 HE22 GLN 83 2HE2 GLN 83 -3.488 6.892 -1.011 620 H GLU 84 H GLU 84 1.687 5.181 -2.738 621 HA GLU 84 HA GLU 84 -0.024 3.298 -3.946 622 HB2 GLU 84 1HB GLU 84 2.052 5.198 -4.986 623 HB3 GLU 84 2HB GLU 84 1.284 4.046 -6.070 624 HG2 GLU 84 1HG GLU 84 -0.395 5.804 -4.342 625 HG3 GLU 84 2HG GLU 84 0.322 6.442 -5.820 626 H GLN 85 H GLN 85 3.512 3.438 -3.684 627 HA GLN 85 HA GLN 85 4.178 1.240 -5.220 628 HB2 GLN 85 1HB GLN 85 5.433 2.604 -2.888 629 HB3 GLN 85 2HB GLN 85 6.077 1.040 -3.368 630 HG2 GLN 85 1HG GLN 85 6.174 2.072 -5.734 631 HG3 GLN 85 2HG GLN 85 6.037 3.612 -4.887 632 HE21 GLN 85 1HE2 GLN 85 8.124 4.126 -5.699 633 HE22 GLN 85 2HE2 GLN 85 9.543 3.491 -4.947 634 H ILE 86 H ILE 86 3.171 1.356 -1.831 635 HA ILE 86 HA ILE 86 3.533 -1.429 -1.357 636 HB ILE 86 HB ILE 86 1.798 0.541 0.137 637 HG12 ILE 86 1HG1 ILE 86 4.581 -0.418 0.824 638 HG13 ILE 86 2HG1 ILE 86 4.260 1.089 -0.026 639 HG21 ILE 86 1HG2 ILE 86 1.208 -1.812 0.539 640 HG22 ILE 86 2HG2 ILE 86 2.876 -2.136 1.010 641 HG23 ILE 86 3HG2 ILE 86 1.885 -1.039 1.972 642 HD11 ILE 86 1HD1 ILE 86 3.386 2.105 1.830 643 HD12 ILE 86 2HD1 ILE 86 2.920 0.579 2.581 644 HD13 ILE 86 3HD1 ILE 86 4.615 1.067 2.552 645 H GLU 87 H GLU 87 0.837 0.562 -2.424 646 HA GLU 87 HA GLU 87 -1.209 -1.343 -2.149 647 HB2 GLU 87 1HB GLU 87 -0.850 1.092 -3.863 648 HB3 GLU 87 2HB GLU 87 -2.247 0.049 -4.094 649 HG2 GLU 87 1HG GLU 87 -2.455 0.359 -1.477 650 HG3 GLU 87 2HG GLU 87 -1.565 1.838 -1.831 651 H GLY 88 H GLY 88 1.405 -1.149 -4.344 652 HA2 GLY 88 1HA GLY 88 0.138 -2.707 -6.431 653 HA3 GLY 88 2HA GLY 88 1.817 -2.190 -6.384 654 H MET 89 H MET 89 2.843 -3.262 -4.173 655 HA MET 89 HA MET 89 3.239 -5.954 -4.848 656 HB2 MET 89 1HB MET 89 4.478 -6.117 -2.738 657 HB3 MET 89 2HB MET 89 4.898 -4.652 -3.616 658 HG2 MET 89 1HG MET 89 3.612 -3.303 -2.146 659 HG3 MET 89 2HG MET 89 2.890 -4.718 -1.384 660 HE1 MET 89 1HE MET 89 5.781 -2.219 -1.463 661 HE2 MET 89 2HE MET 89 7.124 -3.073 -0.704 662 HE3 MET 89 3HE MET 89 6.575 -3.544 -2.314 663 H VAL 90 H VAL 90 1.157 -4.431 -2.440 664 HA VAL 90 HA VAL 90 0.336 -6.780 -1.120 665 HB VAL 90 HB VAL 90 -1.007 -4.098 -1.429 666 HG11 VAL 90 1HG1 VAL 90 -2.100 -6.600 -0.447 667 HG12 VAL 90 2HG1 VAL 90 -2.127 -5.331 0.779 668 HG13 VAL 90 3HG1 VAL 90 -2.907 -5.068 -0.781 669 HG21 VAL 90 1HG2 VAL 90 -0.424 -4.300 1.166 670 HG22 VAL 90 2HG2 VAL 90 0.837 -5.351 0.523 671 HG23 VAL 90 3HG2 VAL 90 0.725 -3.676 -0.019 672 H LYS 91 H LYS 91 -1.015 -5.027 -3.885 673 HA LYS 91 HA LYS 91 -3.306 -6.674 -4.180 674 HB2 LYS 91 1HB LYS 91 -3.315 -4.479 -5.153 675 HB3 LYS 91 2HB LYS 91 -1.878 -4.835 -6.103 676 HG2 LYS 91 1HG LYS 91 -3.056 -6.254 -7.554 677 HG3 LYS 91 2HG LYS 91 -4.440 -6.356 -6.462 678 HD2 LYS 91 1HD LYS 91 -4.610 -3.800 -6.823 679 HD3 LYS 91 2HD LYS 91 -3.591 -4.093 -8.233 680 HE2 LYS 91 1HE LYS 91 -5.693 -4.260 -9.153 681 HE3 LYS 91 2HE LYS 91 -5.352 -5.945 -8.763 682 HZ1 LYS 91 1HZ LYS 91 -6.820 -5.936 -7.021 683 HZ2 LYS 91 2HZ LYS 91 -7.605 -4.881 -8.086 684 HZ3 LYS 91 3HZ LYS 91 -6.722 -4.264 -6.781 685 H ASP 92 H ASP 92 -0.029 -6.827 -5.420 686 HA ASP 92 HA ASP 92 -0.575 -8.932 -7.291 687 HB2 ASP 92 1HB ASP 92 1.376 -7.172 -7.254 688 HB3 ASP 92 2HB ASP 92 2.173 -8.371 -6.239 689 H LEU 93 H LEU 93 0.682 -8.721 -4.005 690 HA LEU 93 HA LEU 93 1.544 -11.369 -3.717 691 HB2 LEU 93 1HB LEU 93 0.552 -9.318 -1.764 692 HB3 LEU 93 2HB LEU 93 1.032 -10.931 -1.242 693 HG LEU 93 HG LEU 93 2.895 -9.132 -2.768 694 HD11 LEU 93 1HD1 LEU 93 1.861 -8.389 -0.376 695 HD12 LEU 93 2HD1 LEU 93 3.477 -7.965 -0.941 696 HD13 LEU 93 3HD1 LEU 93 3.254 -9.342 0.138 697 HD21 LEU 93 1HD2 LEU 93 4.403 -10.651 -1.136 698 HD22 LEU 93 2HD2 LEU 93 3.959 -11.121 -2.776 699 HD23 LEU 93 3HD2 LEU 93 3.043 -11.741 -1.402 700 H ILE 94 H ILE 94 -1.608 -9.887 -3.034 701 HA ILE 94 HA ILE 94 -2.801 -12.333 -2.160 702 HB ILE 94 HB ILE 94 -4.081 -9.740 -3.032 703 HG12 ILE 94 1HG1 ILE 94 -3.764 -10.814 -0.232 704 HG13 ILE 94 2HG1 ILE 94 -2.560 -9.770 -0.979 705 HG21 ILE 94 1HG2 ILE 94 -5.288 -12.223 -2.776 706 HG22 ILE 94 2HG2 ILE 94 -5.639 -11.407 -1.253 707 HG23 ILE 94 3HG2 ILE 94 -6.095 -10.655 -2.781 708 HD11 ILE 94 1HD1 ILE 94 -4.414 -8.103 -1.339 709 HD12 ILE 94 2HD1 ILE 94 -5.405 -9.117 -0.290 710 HD13 ILE 94 3HD1 ILE 94 -3.929 -8.381 0.333 711 H ASN 95 H ASN 95 -2.995 -10.418 -5.151 712 HA ASN 95 HA ASN 95 -4.822 -11.959 -6.545 713 HB2 ASN 95 1HB ASN 95 -2.516 -10.241 -7.409 714 HB3 ASN 95 2HB ASN 95 -3.438 -11.150 -8.604 715 HD21 ASN 95 1HD2 ASN 95 -3.573 -8.660 -9.098 716 HD22 ASN 95 2HD2 ASN 95 -5.027 -7.911 -8.541 717 H ARG 96 H ARG 96 -1.312 -12.364 -6.284 718 HA ARG 96 HA ARG 96 -1.069 -14.512 -8.082 719 HB2 ARG 96 1HB ARG 96 0.599 -13.615 -5.740 720 HB3 ARG 96 2HB ARG 96 1.038 -15.011 -6.715 721 HG2 ARG 96 1HG ARG 96 0.535 -12.335 -7.964 722 HG3 ARG 96 2HG ARG 96 2.105 -12.756 -7.277 723 HD2 ARG 96 1HD ARG 96 2.137 -14.765 -8.743 724 HD3 ARG 96 2HD ARG 96 0.647 -14.192 -9.491 725 HE ARG 96 HE ARG 96 2.586 -12.162 -9.611 726 HH11 ARG 96 1HH1 ARG 96 1.867 -15.281 -10.977 727 HH12 ARG 96 2HH1 ARG 96 2.690 -14.964 -12.468 728 HH21 ARG 96 1HH2 ARG 96 3.674 -11.731 -11.570 729 HH22 ARG 96 2HH2 ARG 96 3.718 -12.944 -12.803 730 H SER 97 H SER 97 -1.151 -14.576 -4.513 731 HA SER 97 HA SER 97 -1.726 -17.432 -4.581 732 HB2 SER 97 1HB SER 97 -0.858 -15.491 -2.482 733 HB3 SER 97 2HB SER 97 -1.702 -16.952 -1.972 734 HG SER 97 HG SER 97 0.839 -16.643 -2.949 735 H GLY 98 H GLY 98 -3.767 -15.867 -5.656 736 HA2 GLY 98 1HA GLY 98 -5.802 -15.577 -3.589 737 HA3 GLY 98 2HA GLY 98 -5.962 -15.125 -5.278 738 HA PRO 99 HA PRO 99 -7.692 -19.496 -4.209 739 HB2 PRO 99 1HB PRO 99 -10.217 -18.898 -3.412 740 HB3 PRO 99 2HB PRO 99 -8.869 -19.069 -2.282 741 HG2 PRO 99 1HG PRO 99 -10.083 -16.581 -3.420 742 HG3 PRO 99 2HG PRO 99 -9.567 -16.915 -1.756 743 HD2 PRO 99 1HD PRO 99 -8.059 -15.479 -3.487 744 HD3 PRO 99 2HD PRO 99 -7.349 -16.508 -2.227 745 H SER 100 H SER 100 -8.629 -20.553 -5.864 746 HA SER 100 HA SER 100 -9.580 -19.038 -8.118 747 HB2 SER 100 1HB SER 100 -9.033 -21.937 -7.582 748 HB3 SER 100 2HB SER 100 -9.987 -21.481 -8.992 749 HG SER 100 HG SER 100 -7.517 -21.626 -9.081 750 H SER 101 H SER 101 -11.630 -18.829 -8.857 751 HA SER 101 HA SER 101 -13.775 -19.155 -7.049 752 HB2 SER 101 1HB SER 101 -13.943 -18.698 -10.036 753 HB3 SER 101 2HB SER 101 -15.191 -18.341 -8.842 754 HG SER 101 HG SER 101 -14.035 -16.466 -9.370 755 H GLY 102 H GLY 102 -15.608 -20.514 -7.174 756 HA2 GLY 102 1HA GLY 102 -15.082 -23.050 -8.595 757 HA3 GLY 102 2HA GLY 102 -15.908 -22.943 -7.048 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 14.611 20.551 -23.153 2 HA2 GLY 1 1HA GLY 1 15.024 18.613 -21.605 3 HA3 GLY 1 2HA GLY 1 16.161 18.057 -22.826 4 H SER 2 H SER 2 16.007 19.465 -19.909 5 HA SER 2 HA SER 2 18.703 20.491 -20.121 6 HB2 SER 2 1HB SER 2 17.638 22.532 -20.669 7 HB3 SER 2 2HB SER 2 16.356 22.274 -19.486 8 HG SER 2 HG SER 2 17.556 23.341 -18.150 9 H SER 3 H SER 3 19.810 20.410 -18.206 10 HA SER 3 HA SER 3 18.409 19.091 -16.000 11 HB2 SER 3 1HB SER 3 20.440 18.000 -16.852 12 HB3 SER 3 2HB SER 3 21.376 19.451 -16.496 13 HG SER 3 HG SER 3 20.642 19.124 -14.260 14 H GLY 4 H GLY 4 17.504 20.542 -14.664 15 HA2 GLY 4 1HA GLY 4 19.007 22.964 -13.965 16 HA3 GLY 4 2HA GLY 4 17.294 22.699 -13.679 17 H SER 5 H SER 5 19.075 23.676 -11.735 18 HA SER 5 HA SER 5 19.625 21.435 -9.953 19 HB2 SER 5 1HB SER 5 20.754 23.074 -8.542 20 HB3 SER 5 2HB SER 5 21.305 23.242 -10.208 21 HG SER 5 HG SER 5 20.709 25.240 -10.039 22 H SER 6 H SER 6 18.789 21.303 -7.828 23 HA SER 6 HA SER 6 16.047 22.209 -7.635 24 HB2 SER 6 1HB SER 6 15.936 20.777 -5.646 25 HB3 SER 6 2HB SER 6 16.636 19.900 -7.005 26 HG SER 6 HG SER 6 18.728 20.608 -6.048 27 H GLY 7 H GLY 7 19.009 22.520 -5.681 28 HA2 GLY 7 1HA GLY 7 19.533 24.789 -4.866 29 HA3 GLY 7 2HA GLY 7 17.824 24.953 -4.491 30 H GLU 8 H GLU 8 20.228 25.181 -2.774 31 HA GLU 8 HA GLU 8 19.657 23.011 -0.867 32 HB2 GLU 8 1HB GLU 8 22.120 24.619 -1.435 33 HB3 GLU 8 2HB GLU 8 21.887 23.925 0.163 34 HG2 GLU 8 1HG GLU 8 21.983 22.418 -2.439 35 HG3 GLU 8 2HG GLU 8 23.241 22.468 -1.206 36 HA PRO 9 HA PRO 9 17.733 26.717 1.052 37 HB2 PRO 9 1HB PRO 9 15.727 25.320 2.233 38 HB3 PRO 9 2HB PRO 9 15.648 25.886 0.559 39 HG2 PRO 9 1HG PRO 9 16.340 23.169 1.610 40 HG3 PRO 9 2HG PRO 9 15.311 23.608 0.234 41 HD2 PRO 9 1HD PRO 9 17.871 22.776 -0.068 42 HD3 PRO 9 2HD PRO 9 17.111 23.947 -1.166 43 H GLU 10 H GLU 10 17.024 26.963 3.422 44 HA GLU 10 HA GLU 10 18.184 25.164 5.331 45 HB2 GLU 10 1HB GLU 10 19.897 26.581 6.204 46 HB3 GLU 10 2HB GLU 10 20.168 26.440 4.472 47 HG2 GLU 10 1HG GLU 10 20.520 28.693 4.947 48 HG3 GLU 10 2HG GLU 10 18.901 28.631 4.253 49 H LYS 11 H LYS 11 18.017 26.100 7.591 50 HA LYS 11 HA LYS 11 16.415 28.347 8.136 51 HB2 LYS 11 1HB LYS 11 14.304 27.361 8.700 52 HB3 LYS 11 2HB LYS 11 14.692 26.891 7.050 53 HG2 LYS 11 1HG LYS 11 15.326 24.696 7.753 54 HG3 LYS 11 2HG LYS 11 15.181 25.148 9.454 55 HD2 LYS 11 1HD LYS 11 13.197 24.000 9.014 56 HD3 LYS 11 2HD LYS 11 12.733 25.697 8.883 57 HE2 LYS 11 1HE LYS 11 12.610 25.611 6.561 58 HE3 LYS 11 2HE LYS 11 13.611 24.163 6.466 59 HZ1 LYS 11 1HZ LYS 11 10.974 24.077 7.782 60 HZ2 LYS 11 2HZ LYS 11 11.861 22.811 7.097 61 HZ3 LYS 11 3HZ LYS 11 11.097 23.945 6.101 62 H LEU 12 H LEU 12 16.310 28.779 10.320 63 HA LEU 12 HA LEU 12 16.985 26.719 12.244 64 HB2 LEU 12 1HB LEU 12 18.932 27.741 13.104 65 HB3 LEU 12 2HB LEU 12 19.153 27.619 11.360 66 HG LEU 12 HG LEU 12 18.227 30.106 11.448 67 HD11 LEU 12 1HD1 LEU 12 19.062 31.287 13.401 68 HD12 LEU 12 2HD1 LEU 12 19.576 29.762 14.123 69 HD13 LEU 12 3HD1 LEU 12 17.860 30.084 13.867 70 HD21 LEU 12 1HD2 LEU 12 20.832 28.861 11.411 71 HD22 LEU 12 2HD2 LEU 12 20.901 30.468 12.134 72 HD23 LEU 12 3HD2 LEU 12 20.239 30.258 10.513 73 H GLY 13 H GLY 13 16.279 27.175 14.303 74 HA2 GLY 13 1HA GLY 13 14.969 28.173 15.902 75 HA3 GLY 13 2HA GLY 13 15.715 29.676 15.379 76 H GLN 14 H GLN 14 13.886 30.931 15.579 77 HA GLN 14 HA GLN 14 11.838 30.453 13.532 78 HB2 GLN 14 1HB GLN 14 10.080 31.167 15.098 79 HB3 GLN 14 2HB GLN 14 10.883 29.700 15.641 80 HG2 GLN 14 1HG GLN 14 12.357 31.336 17.020 81 HG3 GLN 14 2HG GLN 14 11.022 32.458 16.763 82 HE21 GLN 14 1HE2 GLN 14 10.755 32.415 19.062 83 HE22 GLN 14 2HE2 GLN 14 9.892 31.119 19.809 84 H ALA 15 H ALA 15 12.112 32.091 12.164 85 HA ALA 15 HA ALA 15 11.949 34.812 13.194 86 HB1 ALA 15 1HB ALA 15 14.089 34.227 11.187 87 HB2 ALA 15 2HB ALA 15 13.916 35.612 12.266 88 HB3 ALA 15 3HB ALA 15 14.403 34.044 12.913 89 H LEU 16 H LEU 16 11.706 36.409 11.369 90 HA LEU 16 HA LEU 16 9.520 36.071 9.877 91 HB2 LEU 16 1HB LEU 16 10.724 37.566 8.107 92 HB3 LEU 16 2HB LEU 16 10.363 38.190 9.716 93 HG LEU 16 HG LEU 16 13.041 36.981 9.212 94 HD11 LEU 16 1HD1 LEU 16 13.825 38.616 7.904 95 HD12 LEU 16 2HD1 LEU 16 12.895 39.862 8.736 96 HD13 LEU 16 3HD1 LEU 16 12.133 38.884 7.483 97 HD21 LEU 16 1HD2 LEU 16 13.287 39.293 10.679 98 HD22 LEU 16 2HD2 LEU 16 13.173 37.660 11.334 99 HD23 LEU 16 3HD2 LEU 16 11.725 38.659 11.196 100 H THR 17 H THR 17 9.049 34.192 8.873 101 HA THR 17 HA THR 17 10.979 32.903 7.135 102 HB THR 17 HB THR 17 9.209 31.203 6.791 103 HG1 THR 17 1HG THR 17 7.544 33.011 7.365 104 HG21 THR 17 1HG2 THR 17 9.375 31.725 9.739 105 HG22 THR 17 2HG2 THR 17 10.823 31.313 8.819 106 HG23 THR 17 3HG2 THR 17 9.463 30.192 8.871 107 H GLU 18 H GLU 18 10.526 32.376 4.914 108 HA GLU 18 HA GLU 18 9.641 34.592 3.407 109 HB2 GLU 18 1HB GLU 18 10.407 31.773 2.718 110 HB3 GLU 18 2HB GLU 18 9.748 32.842 1.487 111 HG2 GLU 18 1HG GLU 18 12.298 33.135 3.034 112 HG3 GLU 18 2HG GLU 18 12.079 33.000 1.291 113 H VAL 19 H VAL 19 8.109 33.882 1.382 114 HA VAL 19 HA VAL 19 5.501 33.906 2.410 115 HB VAL 19 HB VAL 19 6.123 32.995 -0.385 116 HG11 VAL 19 1HG1 VAL 19 4.119 34.741 -0.620 117 HG12 VAL 19 2HG1 VAL 19 3.856 33.035 -0.253 118 HG13 VAL 19 3HG1 VAL 19 3.842 34.229 1.045 119 HG21 VAL 19 1HG2 VAL 19 6.702 35.616 0.869 120 HG22 VAL 19 2HG2 VAL 19 7.499 34.802 -0.477 121 HG23 VAL 19 3HG2 VAL 19 5.967 35.636 -0.734 122 H TYR 20 H TYR 20 3.782 32.299 1.664 123 HA TYR 20 HA TYR 20 4.663 29.633 2.480 124 HB2 TYR 20 1HB TYR 20 2.189 29.201 2.698 125 HB3 TYR 20 2HB TYR 20 2.820 30.455 3.760 126 HD1 TYR 20 2HD TYR 20 2.487 32.883 3.074 127 HD2 TYR 20 1HD TYR 20 0.429 29.657 1.213 128 HE1 TYR 20 2HE TYR 20 0.803 34.458 2.219 129 HE2 TYR 20 1HE TYR 20 -1.260 31.223 0.351 130 HH TYR 20 HH TYR 20 -1.991 33.892 1.386 131 H ALA 21 H ALA 21 4.629 31.105 -0.317 132 HA ALA 21 HA ALA 21 2.989 29.590 -2.025 133 HB1 ALA 21 1HB ALA 21 4.158 30.562 -3.807 134 HB2 ALA 21 2HB ALA 21 4.230 31.765 -2.520 135 HB3 ALA 21 3HB ALA 21 5.631 30.749 -2.855 136 H LYS 22 H LYS 22 3.320 27.448 -1.062 137 HA LYS 22 HA LYS 22 5.375 25.999 -2.520 138 HB2 LYS 22 1HB LYS 22 6.302 24.889 -0.621 139 HB3 LYS 22 2HB LYS 22 6.362 26.614 -0.291 140 HG2 LYS 22 1HG LYS 22 4.703 26.501 1.312 141 HG3 LYS 22 2HG LYS 22 4.053 24.987 0.679 142 HD2 LYS 22 1HD LYS 22 5.141 24.226 2.551 143 HD3 LYS 22 2HD LYS 22 6.424 24.067 1.349 144 HE2 LYS 22 1HE LYS 22 6.168 26.630 2.845 145 HE3 LYS 22 2HE LYS 22 6.859 25.235 3.670 146 HZ1 LYS 22 1HZ LYS 22 7.858 26.581 1.230 147 HZ2 LYS 22 2HZ LYS 22 8.398 25.052 1.706 148 HZ3 LYS 22 3HZ LYS 22 8.650 26.388 2.712 149 H ALA 23 H ALA 23 5.099 23.555 -2.079 150 HA ALA 23 HA ALA 23 2.239 22.936 -1.743 151 HB1 ALA 23 1HB ALA 23 2.954 21.039 -3.496 152 HB2 ALA 23 2HB ALA 23 2.299 22.605 -3.979 153 HB3 ALA 23 3HB ALA 23 4.041 22.333 -4.004 154 H ASN 24 H ASN 24 4.036 22.738 0.346 155 HA ASN 24 HA ASN 24 4.302 19.818 0.634 156 HB2 ASN 24 1HB ASN 24 6.224 22.002 1.300 157 HB3 ASN 24 2HB ASN 24 6.169 20.593 2.355 158 HD21 ASN 24 1HD2 ASN 24 6.220 18.461 1.149 159 HD22 ASN 24 2HD2 ASN 24 7.350 18.346 -0.152 160 H SER 25 H SER 25 2.396 19.503 1.725 161 HA SER 25 HA SER 25 2.183 20.827 4.350 162 HB2 SER 25 1HB SER 25 0.090 20.205 2.301 163 HB3 SER 25 2HB SER 25 -0.354 20.205 4.008 164 HG SER 25 HG SER 25 1.140 22.376 3.306 165 H PHE 26 H PHE 26 2.099 19.543 6.085 166 HA PHE 26 HA PHE 26 2.777 16.890 6.069 167 HB2 PHE 26 1HB PHE 26 2.715 18.431 8.065 168 HB3 PHE 26 2HB PHE 26 0.982 18.137 8.155 169 HD1 PHE 26 2HD PHE 26 3.773 15.786 7.439 170 HD2 PHE 26 1HD PHE 26 0.648 16.925 10.094 171 HE1 PHE 26 2HE PHE 26 4.189 13.771 8.787 172 HE2 PHE 26 1HE PHE 26 1.060 14.913 11.448 173 HZ PHE 26 HZ PHE 26 2.832 13.331 10.794 174 H THR 27 H THR 27 1.805 15.107 5.394 175 HA THR 27 HA THR 27 -1.128 14.945 5.524 176 HB THR 27 HB THR 27 0.600 14.169 3.171 177 HG1 THR 27 1HG THR 27 0.013 16.163 2.701 178 HG21 THR 27 1HG2 THR 27 -0.872 12.447 3.016 179 HG22 THR 27 2HG2 THR 27 -1.901 13.695 2.313 180 HG23 THR 27 3HG2 THR 27 -2.085 13.254 4.010 181 H VAL 28 H VAL 28 -1.847 13.153 6.479 182 HA VAL 28 HA VAL 28 -0.033 10.835 6.655 183 HB VAL 28 HB VAL 28 -1.907 11.844 8.800 184 HG11 VAL 28 1HG1 VAL 28 -1.282 10.002 10.129 185 HG12 VAL 28 2HG1 VAL 28 -1.677 9.327 8.546 186 HG13 VAL 28 3HG1 VAL 28 0.008 9.539 9.021 187 HG21 VAL 28 1HG2 VAL 28 1.097 11.798 8.582 188 HG22 VAL 28 2HG2 VAL 28 0.048 13.206 8.746 189 HG23 VAL 28 3HG2 VAL 28 0.232 12.082 10.092 190 H SER 29 H SER 29 -0.848 9.226 5.496 191 HA SER 29 HA SER 29 -3.748 8.728 5.635 192 HB2 SER 29 1HB SER 29 -2.814 9.674 3.406 193 HB3 SER 29 2HB SER 29 -2.132 8.062 3.185 194 HG SER 29 HG SER 29 -4.033 7.473 2.546 195 H SER 30 H SER 30 -4.347 6.467 5.153 196 HA SER 30 HA SER 30 -2.230 4.586 5.970 197 HB2 SER 30 1HB SER 30 -5.127 4.145 6.643 198 HB3 SER 30 2HB SER 30 -3.695 3.455 7.406 199 HG SER 30 HG SER 30 -3.731 5.065 8.738 200 H VAL 31 H VAL 31 -2.455 2.406 5.201 201 HA VAL 31 HA VAL 31 -4.150 2.153 2.803 202 HB VAL 31 HB VAL 31 -1.274 1.296 3.119 203 HG11 VAL 31 1HG1 VAL 31 -1.699 0.566 0.648 204 HG12 VAL 31 2HG1 VAL 31 -2.124 -0.516 1.976 205 HG13 VAL 31 3HG1 VAL 31 -3.376 0.438 1.179 206 HG21 VAL 31 1HG2 VAL 31 -2.390 3.656 2.181 207 HG22 VAL 31 2HG2 VAL 31 -0.742 3.090 1.908 208 HG23 VAL 31 3HG2 VAL 31 -2.001 2.747 0.720 209 H ALA 32 H ALA 32 -5.521 0.517 2.961 210 HA ALA 32 HA ALA 32 -5.562 -1.320 5.070 211 HB1 ALA 32 1HB ALA 32 -6.875 -1.657 2.377 212 HB2 ALA 32 2HB ALA 32 -7.349 -2.418 3.896 213 HB3 ALA 32 3HB ALA 32 -7.522 -0.675 3.692 214 H ALA 33 H ALA 33 -4.209 -2.936 5.459 215 HA ALA 33 HA ALA 33 -3.463 -4.751 3.315 216 HB1 ALA 33 1HB ALA 33 -1.723 -2.741 3.867 217 HB2 ALA 33 2HB ALA 33 -1.142 -4.009 4.948 218 HB3 ALA 33 3HB ALA 33 -1.264 -4.315 3.215 219 HA PRO 34 HA PRO 34 -4.051 -7.676 6.559 220 HB2 PRO 34 1HB PRO 34 -2.789 -9.800 5.435 221 HB3 PRO 34 2HB PRO 34 -4.370 -9.226 4.893 222 HG2 PRO 34 1HG PRO 34 -1.665 -8.715 3.718 223 HG3 PRO 34 2HG PRO 34 -3.188 -9.101 2.895 224 HD2 PRO 34 1HD PRO 34 -2.221 -6.576 3.060 225 HD3 PRO 34 2HD PRO 34 -3.960 -6.934 3.036 226 H SER 35 H SER 35 -2.599 -9.510 7.623 227 HA SER 35 HA SER 35 0.082 -8.404 8.128 228 HB2 SER 35 1HB SER 35 -1.897 -9.376 10.202 229 HB3 SER 35 2HB SER 35 -0.210 -8.987 10.536 230 HG SER 35 HG SER 35 -0.979 -6.882 9.375 231 H TRP 36 H TRP 36 -1.676 -10.978 7.091 232 HA TRP 36 HA TRP 36 -0.152 -13.099 8.308 233 HB2 TRP 36 1HB TRP 36 -1.385 -14.553 6.701 234 HB3 TRP 36 2HB TRP 36 -2.443 -13.552 7.691 235 HD1 TRP 36 HD TRP 36 -3.815 -11.618 6.461 236 HE1 TRP 36 1HE TRP 36 -4.387 -11.219 3.983 237 HE3 TRP 36 3HE TRP 36 -0.456 -14.827 4.324 238 HZ2 TRP 36 2HZ TRP 36 -3.530 -12.142 1.458 239 HZ3 TRP 36 3HZ TRP 36 -0.398 -15.011 1.871 240 HH2 TRP 36 HH TRP 36 -1.903 -13.696 0.469 241 H LEU 37 H LEU 37 0.298 -10.967 5.709 242 HA LEU 37 HA LEU 37 2.329 -12.740 4.522 243 HB2 LEU 37 1HB LEU 37 2.124 -11.061 2.573 244 HB3 LEU 37 2HB LEU 37 0.878 -12.288 2.788 245 HG LEU 37 HG LEU 37 -0.431 -10.463 4.031 246 HD11 LEU 37 1HD1 LEU 37 0.271 -8.334 4.038 247 HD12 LEU 37 2HD1 LEU 37 0.939 -8.439 2.410 248 HD13 LEU 37 3HD1 LEU 37 1.867 -9.040 3.786 249 HD21 LEU 37 1HD2 LEU 37 -1.557 -9.956 2.096 250 HD22 LEU 37 2HD2 LEU 37 -0.656 -11.385 1.589 251 HD23 LEU 37 3HD2 LEU 37 -0.078 -9.777 1.150 252 H HIS 38 H HIS 38 2.365 -10.717 6.837 253 HA HIS 38 HA HIS 38 3.893 -8.489 6.166 254 HB2 HIS 38 1HB HIS 38 3.518 -10.088 8.662 255 HB3 HIS 38 2HB HIS 38 4.801 -8.882 8.619 256 HD2 HIS 38 2HD HIS 38 2.293 -7.167 6.625 257 HE1 HIS 38 1HE HIS 38 1.047 -6.411 10.609 258 HE2 HIS 38 2HE HIS 38 0.741 -5.805 8.183 259 H ARG 39 H ARG 39 4.866 -11.810 6.804 260 HA ARG 39 HA ARG 39 7.634 -11.410 6.986 261 HB2 ARG 39 1HB ARG 39 7.838 -13.792 6.443 262 HB3 ARG 39 2HB ARG 39 6.563 -13.512 7.621 263 HG2 ARG 39 1HG ARG 39 4.948 -13.553 5.663 264 HG3 ARG 39 2HG ARG 39 6.291 -14.190 4.711 265 HD2 ARG 39 1HD ARG 39 6.491 -16.090 6.178 266 HD3 ARG 39 2HD ARG 39 5.276 -15.423 7.267 267 HE ARG 39 HE ARG 39 4.168 -15.704 4.698 268 HH11 ARG 39 1HH1 ARG 39 5.263 -17.630 7.383 269 HH12 ARG 39 2HH1 ARG 39 4.184 -18.944 7.050 270 HH21 ARG 39 1HH2 ARG 39 2.743 -17.428 4.247 271 HH22 ARG 39 2HH2 ARG 39 2.753 -18.829 5.265 272 H PHE 40 H PHE 40 5.499 -11.366 4.276 273 HA PHE 40 HA PHE 40 7.721 -11.554 2.381 274 HB2 PHE 40 1HB PHE 40 4.742 -11.406 1.872 275 HB3 PHE 40 2HB PHE 40 5.983 -11.659 0.648 276 HD1 PHE 40 2HD PHE 40 7.708 -13.653 1.560 277 HD2 PHE 40 1HD PHE 40 3.530 -13.296 2.290 278 HE1 PHE 40 2HE PHE 40 7.566 -16.084 1.919 279 HE2 PHE 40 1HE PHE 40 3.382 -15.726 2.649 280 HZ PHE 40 HZ PHE 40 5.401 -17.123 2.463 281 H ILE 41 H ILE 41 5.130 -9.359 3.379 282 HA ILE 41 HA ILE 41 5.653 -7.296 1.554 283 HB ILE 41 HB ILE 41 3.673 -7.605 3.218 284 HG12 ILE 41 1HG1 ILE 41 4.704 -4.793 2.879 285 HG13 ILE 41 2HG1 ILE 41 4.120 -5.739 1.514 286 HG21 ILE 41 1HG2 ILE 41 5.290 -5.695 4.871 287 HG22 ILE 41 2HG2 ILE 41 3.799 -6.538 5.293 288 HG23 ILE 41 3HG2 ILE 41 5.316 -7.432 5.178 289 HD11 ILE 41 1HD1 ILE 41 2.151 -4.810 1.998 290 HD12 ILE 41 2HD1 ILE 41 2.078 -6.014 3.286 291 HD13 ILE 41 3HD1 ILE 41 2.645 -4.381 3.636 292 H ILE 42 H ILE 42 7.071 -8.063 4.678 293 HA ILE 42 HA ILE 42 8.608 -5.623 4.787 294 HB ILE 42 HB ILE 42 8.709 -8.121 6.479 295 HG12 ILE 42 1HG1 ILE 42 7.774 -5.361 7.257 296 HG13 ILE 42 2HG1 ILE 42 6.684 -6.561 6.572 297 HG21 ILE 42 1HG2 ILE 42 9.943 -6.260 7.979 298 HG22 ILE 42 2HG2 ILE 42 10.796 -7.396 6.934 299 HG23 ILE 42 3HG2 ILE 42 10.468 -5.757 6.371 300 HD11 ILE 42 1HD1 ILE 42 6.493 -7.627 8.510 301 HD12 ILE 42 2HD1 ILE 42 8.234 -7.605 8.789 302 HD13 ILE 42 3HD1 ILE 42 7.253 -6.209 9.234 303 H GLY 43 H GLY 43 9.418 -9.086 4.466 304 HA2 GLY 43 1HA GLY 43 10.963 -9.850 2.788 305 HA3 GLY 43 2HA GLY 43 11.757 -8.283 2.866 306 H LYS 44 H LYS 44 13.447 -10.259 2.962 307 HA LYS 44 HA LYS 44 13.913 -11.509 5.433 308 HB2 LYS 44 1HB LYS 44 15.562 -10.933 3.012 309 HB3 LYS 44 2HB LYS 44 16.381 -11.471 4.473 310 HG2 LYS 44 1HG LYS 44 14.051 -12.982 3.353 311 HG3 LYS 44 2HG LYS 44 15.690 -13.229 2.746 312 HD2 LYS 44 1HD LYS 44 15.179 -13.333 5.687 313 HD3 LYS 44 2HD LYS 44 14.755 -14.722 4.683 314 HE2 LYS 44 1HE LYS 44 16.913 -15.241 5.291 315 HE3 LYS 44 2HE LYS 44 17.175 -14.423 3.751 316 HZ1 LYS 44 1HZ LYS 44 17.191 -12.795 6.179 317 HZ2 LYS 44 2HZ LYS 44 18.088 -12.620 4.756 318 HZ3 LYS 44 3HZ LYS 44 18.530 -13.790 5.895 319 H LYS 45 H LYS 45 13.857 -10.192 7.196 320 HA LYS 45 HA LYS 45 14.521 -8.643 8.725 321 HB2 LYS 45 1HB LYS 45 17.082 -9.242 7.270 322 HB3 LYS 45 2HB LYS 45 17.042 -8.068 8.578 323 HG2 LYS 45 1HG LYS 45 15.846 -10.058 9.844 324 HG3 LYS 45 2HG LYS 45 16.738 -11.016 8.661 325 HD2 LYS 45 1HD LYS 45 18.785 -9.657 9.369 326 HD3 LYS 45 2HD LYS 45 17.813 -9.141 10.749 327 HE2 LYS 45 1HE LYS 45 17.395 -11.709 11.029 328 HE3 LYS 45 2HE LYS 45 18.867 -11.851 10.069 329 HZ1 LYS 45 1HZ LYS 45 19.371 -9.957 12.029 330 HZ2 LYS 45 2HZ LYS 45 20.008 -11.520 11.921 331 HZ3 LYS 45 3HZ LYS 45 18.598 -11.242 12.811 332 H GLY 46 H GLY 46 13.195 -7.561 6.541 333 HA2 GLY 46 1HA GLY 46 12.679 -5.424 5.824 334 HA3 GLY 46 2HA GLY 46 14.087 -4.835 6.696 335 H GLN 47 H GLN 47 13.033 -6.402 3.714 336 HA GLN 47 HA GLN 47 15.486 -5.408 2.419 337 HB2 GLN 47 1HB GLN 47 13.923 -7.921 2.072 338 HB3 GLN 47 2HB GLN 47 14.699 -7.230 0.653 339 HG2 GLN 47 1HG GLN 47 16.167 -7.815 3.208 340 HG3 GLN 47 2HG GLN 47 16.014 -8.975 1.889 341 HE21 GLN 47 1HE2 GLN 47 18.134 -9.065 1.329 342 HE22 GLN 47 2HE2 GLN 47 19.011 -7.732 0.667 343 H ASN 48 H ASN 48 12.027 -6.036 1.898 344 HA ASN 48 HA ASN 48 11.934 -4.493 -0.516 345 HB2 ASN 48 1HB ASN 48 9.671 -5.480 1.234 346 HB3 ASN 48 2HB ASN 48 9.511 -4.859 -0.406 347 HD21 ASN 48 1HD2 ASN 48 10.255 -7.553 1.554 348 HD22 ASN 48 2HD2 ASN 48 10.552 -8.685 0.282 349 H LEU 49 H LEU 49 11.247 -3.918 2.877 350 HA LEU 49 HA LEU 49 9.984 -1.387 2.486 351 HB2 LEU 49 1HB LEU 49 11.143 -2.799 4.866 352 HB3 LEU 49 2HB LEU 49 10.543 -1.146 4.980 353 HG LEU 49 HG LEU 49 8.858 -3.478 4.080 354 HD11 LEU 49 1HD1 LEU 49 9.726 -3.664 6.440 355 HD12 LEU 49 2HD1 LEU 49 7.972 -3.633 6.265 356 HD13 LEU 49 3HD1 LEU 49 8.830 -2.187 6.796 357 HD21 LEU 49 1HD2 LEU 49 7.575 -1.152 5.269 358 HD22 LEU 49 2HD2 LEU 49 7.207 -2.009 3.772 359 HD23 LEU 49 3HD2 LEU 49 8.462 -0.770 3.792 360 H ALA 50 H ALA 50 13.237 -2.374 3.531 361 HA ALA 50 HA ALA 50 14.412 0.028 4.049 362 HB1 ALA 50 1HB ALA 50 16.072 -1.726 2.374 363 HB2 ALA 50 2HB ALA 50 16.362 -1.090 3.994 364 HB3 ALA 50 3HB ALA 50 15.330 -2.503 3.773 365 H LYS 51 H LYS 51 13.849 -1.397 0.857 366 HA LYS 51 HA LYS 51 15.205 0.515 -0.673 367 HB2 LYS 51 1HB LYS 51 14.024 -1.779 -1.295 368 HB3 LYS 51 2HB LYS 51 12.697 -0.708 -1.729 369 HG2 LYS 51 1HG LYS 51 13.903 -1.038 -3.707 370 HG3 LYS 51 2HG LYS 51 14.380 0.564 -3.140 371 HD2 LYS 51 1HD LYS 51 16.396 -0.456 -2.114 372 HD3 LYS 51 2HD LYS 51 15.933 -2.004 -2.823 373 HE2 LYS 51 1HE LYS 51 17.550 -1.016 -4.264 374 HE3 LYS 51 2HE LYS 51 15.986 -0.892 -5.066 375 HZ1 LYS 51 1HZ LYS 51 15.910 1.421 -4.000 376 HZ2 LYS 51 2HZ LYS 51 16.913 1.196 -5.344 377 HZ3 LYS 51 3HZ LYS 51 17.578 1.238 -3.789 378 H ILE 52 H ILE 52 11.678 0.276 -0.167 379 HA ILE 52 HA ILE 52 10.931 2.667 -1.299 380 HB ILE 52 HB ILE 52 9.725 1.340 1.130 381 HG12 ILE 52 1HG1 ILE 52 8.796 1.233 -1.741 382 HG13 ILE 52 2HG1 ILE 52 9.875 0.030 -1.041 383 HG21 ILE 52 1HG2 ILE 52 7.679 2.592 0.531 384 HG22 ILE 52 2HG2 ILE 52 9.006 3.639 1.032 385 HG23 ILE 52 3HG2 ILE 52 8.608 3.477 -0.679 386 HD11 ILE 52 1HD1 ILE 52 7.230 -0.252 -1.120 387 HD12 ILE 52 2HD1 ILE 52 8.229 -0.937 0.162 388 HD13 ILE 52 3HD1 ILE 52 7.375 0.583 0.427 389 H THR 53 H THR 53 11.510 2.154 2.186 390 HA THR 53 HA THR 53 11.294 4.784 3.013 391 HB THR 53 HB THR 53 11.483 2.861 4.558 392 HG1 THR 53 1HG THR 53 12.205 5.231 4.992 393 HG21 THR 53 1HG2 THR 53 13.683 1.965 5.124 394 HG22 THR 53 2HG2 THR 53 14.427 2.976 3.885 395 HG23 THR 53 3HG2 THR 53 13.318 1.685 3.422 396 H GLN 54 H GLN 54 14.063 3.109 1.622 397 HA GLN 54 HA GLN 54 15.976 5.129 2.106 398 HB2 GLN 54 1HB GLN 54 16.597 2.827 1.527 399 HB3 GLN 54 2HB GLN 54 15.904 3.038 -0.076 400 HG2 GLN 54 1HG GLN 54 17.584 5.024 -0.231 401 HG3 GLN 54 2HG GLN 54 18.413 4.164 1.065 402 HE21 GLN 54 1HE2 GLN 54 18.201 1.597 0.455 403 HE22 GLN 54 2HE2 GLN 54 18.918 1.245 -1.076 404 H GLN 55 H GLN 55 13.805 4.497 -0.610 405 HA GLN 55 HA GLN 55 14.827 6.677 -2.177 406 HB2 GLN 55 1HB GLN 55 13.803 4.627 -3.165 407 HB3 GLN 55 2HB GLN 55 12.247 5.143 -2.530 408 HG2 GLN 55 1HG GLN 55 12.126 6.967 -3.981 409 HG3 GLN 55 2HG GLN 55 13.848 6.898 -4.353 410 HE21 GLN 55 1HE2 GLN 55 13.199 6.937 -6.576 411 HE22 GLN 55 2HE2 GLN 55 12.688 5.483 -7.354 412 H MET 56 H MET 56 12.311 6.226 0.178 413 HA MET 56 HA MET 56 11.646 9.078 -0.059 414 HB2 MET 56 1HB MET 56 9.727 6.764 0.151 415 HB3 MET 56 2HB MET 56 9.267 8.405 0.587 416 HG2 MET 56 1HG MET 56 9.378 9.160 -1.586 417 HG3 MET 56 2HG MET 56 10.462 7.865 -2.090 418 HE1 MET 56 1HE MET 56 8.433 4.886 -2.741 419 HE2 MET 56 2HE MET 56 9.120 5.985 -3.938 420 HE3 MET 56 3HE MET 56 9.994 5.653 -2.442 421 HA PRO 57 HA PRO 57 12.877 8.054 4.264 422 HB2 PRO 57 1HB PRO 57 14.227 10.377 4.657 423 HB3 PRO 57 2HB PRO 57 14.961 8.954 3.905 424 HG2 PRO 57 1HG PRO 57 13.822 11.405 2.615 425 HG3 PRO 57 2HG PRO 57 15.314 10.527 2.229 426 HD2 PRO 57 1HD PRO 57 13.037 10.230 0.795 427 HD3 PRO 57 2HD PRO 57 14.200 8.908 1.025 428 H LYS 58 H LYS 58 11.477 10.938 2.812 429 HA LYS 58 HA LYS 58 10.606 12.191 5.179 430 HB2 LYS 58 1HB LYS 58 9.827 12.363 2.295 431 HB3 LYS 58 2HB LYS 58 8.824 13.157 3.502 432 HG2 LYS 58 1HG LYS 58 11.170 14.112 4.281 433 HG3 LYS 58 2HG LYS 58 11.569 13.800 2.591 434 HD2 LYS 58 1HD LYS 58 10.075 15.359 1.809 435 HD3 LYS 58 2HD LYS 58 9.027 15.220 3.223 436 HE2 LYS 58 1HE LYS 58 11.780 16.317 3.553 437 HE3 LYS 58 2HE LYS 58 10.527 17.344 2.857 438 HZ1 LYS 58 1HZ LYS 58 9.453 17.505 4.812 439 HZ2 LYS 58 2HZ LYS 58 10.967 17.134 5.466 440 HZ3 LYS 58 3HZ LYS 58 9.804 15.920 5.283 441 H VAL 59 H VAL 59 9.345 9.531 3.342 442 HA VAL 59 HA VAL 59 6.768 9.605 4.690 443 HB VAL 59 HB VAL 59 7.891 7.655 2.675 444 HG11 VAL 59 1HG1 VAL 59 6.316 6.263 3.427 445 HG12 VAL 59 2HG1 VAL 59 5.548 7.520 4.399 446 HG13 VAL 59 3HG1 VAL 59 5.155 7.364 2.686 447 HG21 VAL 59 1HG2 VAL 59 5.647 9.606 2.265 448 HG22 VAL 59 2HG2 VAL 59 7.328 10.053 1.980 449 HG23 VAL 59 3HG2 VAL 59 6.596 8.744 1.054 450 H HIS 60 H HIS 60 6.182 8.353 6.367 451 HA HIS 60 HA HIS 60 8.208 6.510 7.440 452 HB2 HIS 60 1HB HIS 60 7.415 8.502 8.822 453 HB3 HIS 60 2HB HIS 60 5.872 7.663 8.961 454 HD1 HIS 60 1HD HIS 60 9.195 5.903 9.152 455 HD2 HIS 60 2HD HIS 60 6.093 7.082 11.651 456 HE1 HIS 60 1HE HIS 60 9.657 4.798 11.364 457 H ILE 61 H ILE 61 7.826 4.427 7.128 458 HA ILE 61 HA ILE 61 5.138 3.507 6.511 459 HB ILE 61 HB ILE 61 7.740 1.974 6.569 460 HG12 ILE 61 1HG1 ILE 61 6.228 2.748 4.095 461 HG13 ILE 61 2HG1 ILE 61 7.334 3.893 4.845 462 HG21 ILE 61 1HG2 ILE 61 6.390 0.193 6.585 463 HG22 ILE 61 2HG2 ILE 61 4.961 1.164 6.231 464 HG23 ILE 61 3HG2 ILE 61 6.012 0.631 4.919 465 HD11 ILE 61 1HD1 ILE 61 8.093 2.230 2.937 466 HD12 ILE 61 2HD1 ILE 61 9.174 2.714 4.243 467 HD13 ILE 61 3HD1 ILE 61 8.343 1.161 4.316 468 H GLU 62 H GLU 62 3.832 2.497 7.895 469 HA GLU 62 HA GLU 62 4.983 1.495 10.416 470 HB2 GLU 62 1HB GLU 62 3.607 3.595 10.634 471 HB3 GLU 62 2HB GLU 62 2.219 2.665 10.091 472 HG2 GLU 62 1HG GLU 62 2.020 2.657 12.399 473 HG3 GLU 62 2HG GLU 62 2.748 1.092 12.038 474 H PHE 63 H PHE 63 4.004 -0.351 11.343 475 HA PHE 63 HA PHE 63 2.109 -1.814 9.655 476 HB2 PHE 63 1HB PHE 63 4.883 -2.630 10.350 477 HB3 PHE 63 2HB PHE 63 3.645 -3.880 10.383 478 HD1 PHE 63 2HD PHE 63 2.026 -3.771 8.235 479 HD2 PHE 63 1HD PHE 63 6.049 -2.391 8.400 480 HE1 PHE 63 2HE PHE 63 2.205 -4.012 5.793 481 HE2 PHE 63 1HE PHE 63 6.234 -2.630 5.958 482 HZ PHE 63 HZ PHE 63 4.312 -3.443 4.652 483 H THR 64 H THR 64 0.475 -2.561 10.823 484 HA THR 64 HA THR 64 0.923 -3.115 13.683 485 HB THR 64 HB THR 64 -1.637 -2.019 12.509 486 HG1 THR 64 1HG THR 64 -0.965 -0.041 13.139 487 HG21 THR 64 1HG2 THR 64 -1.585 -3.427 14.685 488 HG22 THR 64 2HG2 THR 64 -2.449 -1.889 14.687 489 HG23 THR 64 3HG2 THR 64 -0.840 -1.997 15.398 490 H GLU 65 H GLU 65 0.010 -4.943 14.526 491 HA GLU 65 HA GLU 65 -0.743 -6.990 12.671 492 HB2 GLU 65 1HB GLU 65 -0.505 -6.876 15.668 493 HB3 GLU 65 2HB GLU 65 -1.143 -8.296 14.852 494 HG2 GLU 65 1HG GLU 65 1.111 -8.772 15.181 495 HG3 GLU 65 2HG GLU 65 1.007 -8.280 13.491 496 H GLY 66 H GLY 66 -2.444 -5.816 15.584 497 HA2 GLY 66 1HA GLY 66 -4.926 -6.913 14.966 498 HA3 GLY 66 2HA GLY 66 -4.680 -5.521 16.010 499 H GLU 67 H GLU 67 -4.142 -3.444 14.696 500 HA GLU 67 HA GLU 67 -6.372 -2.631 13.331 501 HB2 GLU 67 1HB GLU 67 -3.542 -1.627 12.982 502 HB3 GLU 67 2HB GLU 67 -4.981 -0.782 12.427 503 HG2 GLU 67 1HG GLU 67 -4.477 -1.505 15.301 504 HG3 GLU 67 2HG GLU 67 -4.030 0.042 14.581 505 H ASP 68 H ASP 68 -3.776 -4.563 12.163 506 HA ASP 68 HA ASP 68 -3.205 -5.347 10.087 507 HB2 ASP 68 1HB ASP 68 -6.204 -5.507 10.192 508 HB3 ASP 68 2HB ASP 68 -5.327 -6.063 8.770 509 H LYS 69 H LYS 69 -2.781 -2.737 9.985 510 HA LYS 69 HA LYS 69 -3.411 -2.083 7.241 511 HB2 LYS 69 1HB LYS 69 -4.510 -0.033 7.611 512 HB3 LYS 69 2HB LYS 69 -5.302 -1.170 8.694 513 HG2 LYS 69 1HG LYS 69 -4.117 -0.304 10.580 514 HG3 LYS 69 2HG LYS 69 -3.109 0.707 9.542 515 HD2 LYS 69 1HD LYS 69 -4.894 2.139 9.018 516 HD3 LYS 69 2HD LYS 69 -6.099 0.986 9.594 517 HE2 LYS 69 1HE LYS 69 -5.775 2.885 11.137 518 HE3 LYS 69 2HE LYS 69 -5.396 1.331 11.878 519 HZ1 LYS 69 1HZ LYS 69 -3.793 3.289 12.218 520 HZ2 LYS 69 2HZ LYS 69 -3.268 2.957 10.645 521 HZ3 LYS 69 3HZ LYS 69 -3.141 1.773 11.846 522 H ILE 70 H ILE 70 -2.207 -0.163 6.490 523 HA ILE 70 HA ILE 70 0.304 0.124 8.000 524 HB ILE 70 HB ILE 70 -0.175 0.495 5.042 525 HG12 ILE 70 1HG1 ILE 70 1.471 -1.633 6.409 526 HG13 ILE 70 2HG1 ILE 70 -0.217 -1.872 5.976 527 HG21 ILE 70 1HG2 ILE 70 1.904 1.320 4.815 528 HG22 ILE 70 2HG2 ILE 70 1.720 1.748 6.515 529 HG23 ILE 70 3HG2 ILE 70 2.567 0.268 6.067 530 HD11 ILE 70 1HD1 ILE 70 1.409 -2.797 4.346 531 HD12 ILE 70 2HD1 ILE 70 0.279 -1.631 3.656 532 HD13 ILE 70 3HD1 ILE 70 1.938 -1.149 4.009 533 H THR 71 H THR 71 0.765 2.042 8.842 534 HA THR 71 HA THR 71 -0.831 4.360 8.023 535 HB THR 71 HB THR 71 0.989 4.208 10.423 536 HG1 THR 71 1HG THR 71 -0.490 3.066 11.411 537 HG21 THR 71 1HG2 THR 71 -0.560 5.967 11.266 538 HG22 THR 71 2HG2 THR 71 -1.354 5.966 9.691 539 HG23 THR 71 3HG2 THR 71 0.336 6.450 9.826 540 H LEU 72 H LEU 72 0.037 5.817 6.714 541 HA LEU 72 HA LEU 72 2.969 5.995 6.543 542 HB2 LEU 72 1HB LEU 72 0.823 6.697 4.551 543 HB3 LEU 72 2HB LEU 72 2.528 7.078 4.329 544 HG LEU 72 HG LEU 72 1.928 5.115 3.047 545 HD11 LEU 72 1HD1 LEU 72 4.165 5.313 4.197 546 HD12 LEU 72 2HD1 LEU 72 3.677 3.684 3.732 547 HD13 LEU 72 3HD1 LEU 72 3.540 4.199 5.413 548 HD21 LEU 72 1HD2 LEU 72 0.954 3.190 3.924 549 HD22 LEU 72 2HD2 LEU 72 0.058 4.496 4.700 550 HD23 LEU 72 3HD2 LEU 72 1.323 3.644 5.588 551 H GLU 73 H GLU 73 4.002 7.925 6.796 552 HA GLU 73 HA GLU 73 2.352 10.306 7.294 553 HB2 GLU 73 1HB GLU 73 2.906 9.468 9.478 554 HB3 GLU 73 2HB GLU 73 4.593 9.262 9.028 555 HG2 GLU 73 1HG GLU 73 4.910 11.634 8.897 556 HG3 GLU 73 2HG GLU 73 3.190 11.918 9.157 557 H GLY 74 H GLY 74 3.021 12.051 6.220 558 HA2 GLY 74 1HA GLY 74 5.448 13.146 5.885 559 HA3 GLY 74 2HA GLY 74 5.465 11.881 4.664 560 HA PRO 75 HA PRO 75 3.660 15.764 2.830 561 HB2 PRO 75 1HB PRO 75 5.275 15.787 0.648 562 HB3 PRO 75 2HB PRO 75 5.719 16.549 2.180 563 HG2 PRO 75 1HG PRO 75 6.534 13.884 1.083 564 HG3 PRO 75 2HG PRO 75 7.521 15.104 1.908 565 HD2 PRO 75 1HD PRO 75 6.574 12.901 3.168 566 HD3 PRO 75 2HD PRO 75 6.803 14.453 4.000 567 H THR 76 H THR 76 1.866 15.498 1.671 568 HA THR 76 HA THR 76 0.848 13.220 0.639 569 HB THR 76 HB THR 76 -0.457 15.278 0.766 570 HG1 THR 76 1HG THR 76 -0.803 13.475 -0.922 571 HG21 THR 76 1HG2 THR 76 1.108 16.928 0.025 572 HG22 THR 76 2HG2 THR 76 -0.246 16.942 -1.105 573 HG23 THR 76 3HG2 THR 76 1.265 16.152 -1.550 574 H GLU 77 H GLU 77 3.245 15.270 -0.867 575 HA GLU 77 HA GLU 77 3.100 14.315 -3.493 576 HB2 GLU 77 1HB GLU 77 4.396 16.299 -2.844 577 HB3 GLU 77 2HB GLU 77 5.529 15.277 -1.971 578 HG2 GLU 77 1HG GLU 77 6.238 16.068 -4.262 579 HG3 GLU 77 2HG GLU 77 6.380 14.341 -3.941 580 H ASP 78 H ASP 78 5.258 13.277 -0.852 581 HA ASP 78 HA ASP 78 6.179 11.002 -2.360 582 HB2 ASP 78 1HB ASP 78 6.632 11.822 0.516 583 HB3 ASP 78 2HB ASP 78 7.410 10.445 -0.259 584 H VAL 79 H VAL 79 4.123 11.519 0.487 585 HA VAL 79 HA VAL 79 3.593 8.932 1.229 586 HB VAL 79 HB VAL 79 1.596 11.199 1.144 587 HG11 VAL 79 1HG1 VAL 79 0.139 9.940 2.298 588 HG12 VAL 79 2HG1 VAL 79 1.047 8.581 1.631 589 HG13 VAL 79 3HG1 VAL 79 1.405 9.172 3.254 590 HG21 VAL 79 1HG2 VAL 79 2.284 11.698 3.392 591 HG22 VAL 79 2HG2 VAL 79 3.388 10.323 3.405 592 HG23 VAL 79 3HG2 VAL 79 3.709 11.701 2.352 593 H SER 80 H SER 80 2.052 10.794 -1.359 594 HA SER 80 HA SER 80 0.105 8.889 -2.056 595 HB2 SER 80 1HB SER 80 -0.053 11.188 -2.835 596 HB3 SER 80 2HB SER 80 1.444 11.013 -3.750 597 HG SER 80 HG SER 80 -1.089 9.894 -4.250 598 H VAL 81 H VAL 81 3.458 9.301 -3.034 599 HA VAL 81 HA VAL 81 3.380 7.327 -5.100 600 HB VAL 81 HB VAL 81 5.746 8.498 -3.631 601 HG11 VAL 81 1HG1 VAL 81 7.103 7.192 -4.820 602 HG12 VAL 81 2HG1 VAL 81 5.678 6.238 -5.234 603 HG13 VAL 81 3HG1 VAL 81 6.228 7.519 -6.315 604 HG21 VAL 81 1HG2 VAL 81 4.890 9.194 -6.415 605 HG22 VAL 81 2HG2 VAL 81 4.165 10.001 -5.024 606 HG23 VAL 81 3HG2 VAL 81 5.903 10.109 -5.299 607 H ALA 82 H ALA 82 4.802 7.364 -1.830 608 HA ALA 82 HA ALA 82 5.676 4.722 -1.773 609 HB1 ALA 82 1HB ALA 82 5.447 6.872 0.068 610 HB2 ALA 82 2HB ALA 82 4.809 5.416 0.835 611 HB3 ALA 82 3HB ALA 82 6.448 5.424 0.183 612 H GLN 83 H GLN 83 2.633 6.043 -0.458 613 HA GLN 83 HA GLN 83 1.504 3.642 0.360 614 HB2 GLN 83 1HB GLN 83 -0.496 4.798 0.607 615 HB3 GLN 83 2HB GLN 83 0.699 6.085 0.697 616 HG2 GLN 83 1HG GLN 83 0.257 6.749 -1.552 617 HG3 GLN 83 2HG GLN 83 -0.774 5.344 -1.817 618 HE21 GLN 83 1HE2 GLN 83 -2.874 5.432 -1.250 619 HE22 GLN 83 2HE2 GLN 83 -3.634 6.807 -0.532 620 H GLU 84 H GLU 84 1.327 5.249 -2.793 621 HA GLU 84 HA GLU 84 -0.458 3.441 -4.000 622 HB2 GLU 84 1HB GLU 84 0.053 5.647 -4.946 623 HB3 GLU 84 2HB GLU 84 1.699 5.129 -5.279 624 HG2 GLU 84 1HG GLU 84 0.834 3.423 -6.817 625 HG3 GLU 84 2HG GLU 84 -0.803 3.997 -6.510 626 H GLN 85 H GLN 85 3.089 3.540 -3.939 627 HA GLN 85 HA GLN 85 3.587 1.373 -5.614 628 HB2 GLN 85 1HB GLN 85 5.101 2.656 -3.376 629 HB3 GLN 85 2HB GLN 85 5.702 1.158 -4.071 630 HG2 GLN 85 1HG GLN 85 5.438 2.401 -6.331 631 HG3 GLN 85 2HG GLN 85 5.429 3.851 -5.327 632 HE21 GLN 85 1HE2 GLN 85 7.332 4.767 -5.160 633 HE22 GLN 85 2HE2 GLN 85 8.861 3.965 -5.163 634 H ILE 86 H ILE 86 2.899 1.468 -2.153 635 HA ILE 86 HA ILE 86 3.352 -1.310 -1.714 636 HB ILE 86 HB ILE 86 1.699 0.602 -0.062 637 HG12 ILE 86 1HG1 ILE 86 4.562 -0.208 0.427 638 HG13 ILE 86 2HG1 ILE 86 4.143 1.221 -0.514 639 HG21 ILE 86 1HG2 ILE 86 1.130 -1.508 0.705 640 HG22 ILE 86 2HG2 ILE 86 2.737 -2.164 0.398 641 HG23 ILE 86 3HG2 ILE 86 2.478 -1.070 1.757 642 HD11 ILE 86 1HD1 ILE 86 4.665 1.426 2.020 643 HD12 ILE 86 2HD1 ILE 86 3.337 2.349 1.316 644 HD13 ILE 86 3HD1 ILE 86 3.003 0.870 2.217 645 H GLU 87 H GLU 87 0.510 0.645 -2.449 646 HA GLU 87 HA GLU 87 -1.454 -1.306 -2.025 647 HB2 GLU 87 1HB GLU 87 -1.299 1.174 -3.693 648 HB3 GLU 87 2HB GLU 87 -2.674 0.094 -3.882 649 HG2 GLU 87 1HG GLU 87 -2.746 0.298 -1.253 650 HG3 GLU 87 2HG GLU 87 -1.906 1.812 -1.588 651 H GLY 88 H GLY 88 0.883 -0.958 -4.527 652 HA2 GLY 88 1HA GLY 88 -0.554 -2.620 -6.424 653 HA3 GLY 88 2HA GLY 88 1.059 -1.954 -6.630 654 H MET 89 H MET 89 2.411 -2.916 -4.474 655 HA MET 89 HA MET 89 2.954 -5.581 -5.258 656 HB2 MET 89 1HB MET 89 4.478 -5.595 -3.280 657 HB3 MET 89 2HB MET 89 4.729 -4.232 -4.363 658 HG2 MET 89 1HG MET 89 4.777 -3.125 -2.394 659 HG3 MET 89 2HG MET 89 3.040 -3.069 -2.692 660 HE1 MET 89 1HE MET 89 4.834 -3.850 0.969 661 HE2 MET 89 2HE MET 89 5.723 -5.035 0.012 662 HE3 MET 89 3HE MET 89 5.602 -3.364 -0.543 663 H VAL 90 H VAL 90 0.902 -4.179 -2.829 664 HA VAL 90 HA VAL 90 0.594 -6.534 -1.245 665 HB VAL 90 HB VAL 90 -0.949 -3.961 -1.436 666 HG11 VAL 90 1HG1 VAL 90 -1.808 -6.519 -0.274 667 HG12 VAL 90 2HG1 VAL 90 -1.955 -5.123 0.795 668 HG13 VAL 90 3HG1 VAL 90 -2.759 -5.122 -0.775 669 HG21 VAL 90 1HG2 VAL 90 0.745 -3.409 -0.070 670 HG22 VAL 90 2HG2 VAL 90 -0.161 -4.303 1.150 671 HG23 VAL 90 3HG2 VAL 90 1.149 -5.091 0.272 672 H LYS 91 H LYS 91 -1.607 -4.894 -3.527 673 HA LYS 91 HA LYS 91 -3.620 -6.800 -3.556 674 HB2 LYS 91 1HB LYS 91 -3.391 -4.434 -4.707 675 HB3 LYS 91 2HB LYS 91 -2.902 -5.397 -6.095 676 HG2 LYS 91 1HG LYS 91 -5.074 -6.729 -5.621 677 HG3 LYS 91 2HG LYS 91 -5.539 -5.299 -4.698 678 HD2 LYS 91 1HD LYS 91 -6.410 -4.912 -6.835 679 HD3 LYS 91 2HD LYS 91 -4.916 -3.973 -6.803 680 HE2 LYS 91 1HE LYS 91 -3.881 -6.169 -7.786 681 HE3 LYS 91 2HE LYS 91 -5.547 -6.502 -8.258 682 HZ1 LYS 91 1HZ LYS 91 -4.130 -3.985 -8.934 683 HZ2 LYS 91 2HZ LYS 91 -5.614 -4.525 -9.540 684 HZ3 LYS 91 3HZ LYS 91 -4.187 -5.327 -9.963 685 H ASP 92 H ASP 92 -0.754 -6.568 -5.640 686 HA ASP 92 HA ASP 92 -1.317 -8.805 -7.244 687 HB2 ASP 92 1HB ASP 92 0.477 -6.939 -7.523 688 HB3 ASP 92 2HB ASP 92 1.492 -8.002 -6.552 689 H LEU 93 H LEU 93 0.477 -8.489 -4.211 690 HA LEU 93 HA LEU 93 1.467 -11.098 -4.051 691 HB2 LEU 93 1HB LEU 93 0.811 -8.994 -2.033 692 HB3 LEU 93 2HB LEU 93 1.275 -10.607 -1.496 693 HG LEU 93 HG LEU 93 3.015 -9.032 -3.366 694 HD11 LEU 93 1HD1 LEU 93 3.837 -8.957 -0.587 695 HD12 LEU 93 2HD1 LEU 93 2.311 -8.114 -0.857 696 HD13 LEU 93 3HD1 LEU 93 3.745 -7.658 -1.777 697 HD21 LEU 93 1HD2 LEU 93 3.749 -11.071 -1.281 698 HD22 LEU 93 2HD2 LEU 93 4.730 -10.475 -2.620 699 HD23 LEU 93 3HD2 LEU 93 3.333 -11.505 -2.940 700 H ILE 94 H ILE 94 -1.608 -9.731 -2.947 701 HA ILE 94 HA ILE 94 -2.534 -12.172 -1.785 702 HB ILE 94 HB ILE 94 -4.042 -9.682 -2.585 703 HG12 ILE 94 1HG1 ILE 94 -3.233 -10.649 0.161 704 HG13 ILE 94 2HG1 ILE 94 -2.304 -9.482 -0.773 705 HG21 ILE 94 1HG2 ILE 94 -5.733 -10.667 -0.907 706 HG22 ILE 94 2HG2 ILE 94 -5.694 -11.315 -2.546 707 HG23 ILE 94 3HG2 ILE 94 -4.925 -12.201 -1.231 708 HD11 ILE 94 1HD1 ILE 94 -5.006 -8.610 -0.672 709 HD12 ILE 94 2HD1 ILE 94 -4.473 -9.012 0.961 710 HD13 ILE 94 3HD1 ILE 94 -3.565 -7.846 -0.001 711 H ASN 95 H ASN 95 -2.989 -10.551 -4.886 712 HA ASN 95 HA ASN 95 -5.007 -12.201 -5.913 713 HB2 ASN 95 1HB ASN 95 -2.946 -10.397 -7.101 714 HB3 ASN 95 2HB ASN 95 -3.802 -11.502 -8.173 715 HD21 ASN 95 1HD2 ASN 95 -3.842 -8.500 -6.785 716 HD22 ASN 95 2HD2 ASN 95 -5.509 -8.109 -7.018 717 H ARG 96 H ARG 96 -1.632 -12.747 -5.454 718 HA ARG 96 HA ARG 96 -1.641 -15.081 -7.216 719 HB2 ARG 96 1HB ARG 96 0.758 -15.159 -6.853 720 HB3 ARG 96 2HB ARG 96 0.278 -13.533 -7.318 721 HG2 ARG 96 1HG ARG 96 0.743 -12.653 -5.257 722 HG3 ARG 96 2HG ARG 96 0.484 -14.188 -4.425 723 HD2 ARG 96 1HD ARG 96 2.825 -13.513 -6.205 724 HD3 ARG 96 2HD ARG 96 2.849 -13.554 -4.442 725 HE ARG 96 HE ARG 96 1.955 -16.034 -5.437 726 HH11 ARG 96 1HH1 ARG 96 4.837 -14.096 -5.188 727 HH12 ARG 96 2HH1 ARG 96 5.909 -15.457 -5.179 728 HH21 ARG 96 1HH2 ARG 96 3.356 -17.834 -5.426 729 HH22 ARG 96 2HH2 ARG 96 5.066 -17.583 -5.315 730 H SER 97 H SER 97 -3.346 -15.457 -5.154 731 HA SER 97 HA SER 97 -1.964 -16.867 -3.019 732 HB2 SER 97 1HB SER 97 -3.961 -15.417 -2.567 733 HB3 SER 97 2HB SER 97 -4.944 -16.575 -3.462 734 HG SER 97 HG SER 97 -3.738 -16.813 -0.957 735 H GLY 98 H GLY 98 -4.328 -17.599 -5.576 736 HA2 GLY 98 1HA GLY 98 -3.199 -20.209 -5.970 737 HA3 GLY 98 2HA GLY 98 -4.759 -20.268 -5.166 738 HA PRO 99 HA PRO 99 -5.391 -20.287 -9.785 739 HB2 PRO 99 1HB PRO 99 -6.981 -22.487 -9.817 740 HB3 PRO 99 2HB PRO 99 -5.218 -22.574 -9.921 741 HG2 PRO 99 1HG PRO 99 -6.999 -22.980 -7.549 742 HG3 PRO 99 2HG PRO 99 -5.582 -23.917 -8.057 743 HD2 PRO 99 1HD PRO 99 -5.471 -22.059 -6.091 744 HD3 PRO 99 2HD PRO 99 -4.099 -22.394 -7.167 745 H SER 100 H SER 100 -7.687 -21.020 -7.171 746 HA SER 100 HA SER 100 -10.103 -20.558 -8.227 747 HB2 SER 100 1HB SER 100 -9.304 -20.760 -5.711 748 HB3 SER 100 2HB SER 100 -9.501 -19.008 -5.742 749 HG SER 100 HG SER 100 -11.656 -19.333 -6.408 750 H SER 101 H SER 101 -10.396 -19.183 -9.899 751 HA SER 101 HA SER 101 -10.110 -16.318 -9.315 752 HB2 SER 101 1HB SER 101 -8.224 -16.809 -10.716 753 HB3 SER 101 2HB SER 101 -9.224 -17.743 -11.830 754 HG SER 101 HG SER 101 -9.355 -14.946 -11.358 755 H GLY 102 H GLY 102 -11.702 -14.998 -10.141 756 HA2 GLY 102 1HA GLY 102 -13.519 -14.544 -11.645 757 HA3 GLY 102 2HA GLY 102 -13.794 -16.275 -11.772 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -10.445 -26.995 -4.485 2 HA2 GLY 1 1HA GLY 1 -8.454 -27.573 -3.364 3 HA3 GLY 1 2HA GLY 1 -8.421 -25.817 -3.315 4 H SER 2 H SER 2 -7.077 -26.177 -1.398 5 HA SER 2 HA SER 2 -8.673 -26.846 0.985 6 HB2 SER 2 1HB SER 2 -6.505 -27.270 2.111 7 HB3 SER 2 2HB SER 2 -6.742 -28.311 0.707 8 HG SER 2 HG SER 2 -4.636 -27.360 0.804 9 H SER 3 H SER 3 -6.095 -24.667 -0.147 10 HA SER 3 HA SER 3 -7.310 -22.474 1.318 11 HB2 SER 3 1HB SER 3 -5.882 -23.286 3.049 12 HB3 SER 3 2HB SER 3 -4.541 -23.514 1.928 13 HG SER 3 HG SER 3 -5.596 -21.121 2.974 14 H GLY 4 H GLY 4 -7.251 -20.702 0.102 15 HA2 GLY 4 1HA GLY 4 -5.748 -19.122 -1.092 16 HA3 GLY 4 2HA GLY 4 -5.152 -20.521 -1.973 17 H SER 5 H SER 5 -6.917 -17.888 -2.397 18 HA SER 5 HA SER 5 -8.995 -19.167 -4.029 19 HB2 SER 5 1HB SER 5 -9.724 -17.459 -2.380 20 HB3 SER 5 2HB SER 5 -8.736 -16.262 -3.216 21 HG SER 5 HG SER 5 -10.102 -17.138 -5.126 22 H SER 6 H SER 6 -8.714 -19.312 -6.146 23 HA SER 6 HA SER 6 -6.641 -17.673 -7.415 24 HB2 SER 6 1HB SER 6 -6.718 -19.311 -9.240 25 HB3 SER 6 2HB SER 6 -6.467 -20.117 -7.692 26 HG SER 6 HG SER 6 -8.958 -20.201 -7.821 27 H GLY 7 H GLY 7 -7.060 -16.851 -9.610 28 HA2 GLY 7 1HA GLY 7 -9.542 -16.653 -10.824 29 HA3 GLY 7 2HA GLY 7 -9.463 -15.330 -9.671 30 H GLU 8 H GLU 8 -9.202 -15.863 -12.792 31 HA GLU 8 HA GLU 8 -6.855 -14.139 -13.198 32 HB2 GLU 8 1HB GLU 8 -6.944 -14.886 -15.551 33 HB3 GLU 8 2HB GLU 8 -6.753 -16.226 -14.430 34 HG2 GLU 8 1HG GLU 8 -9.307 -16.451 -14.590 35 HG3 GLU 8 2HG GLU 8 -9.156 -15.441 -16.026 36 HA PRO 9 HA PRO 9 -10.269 -11.167 -13.821 37 HB2 PRO 9 1HB PRO 9 -8.782 -9.005 -13.126 38 HB3 PRO 9 2HB PRO 9 -9.580 -10.044 -11.939 39 HG2 PRO 9 1HG PRO 9 -6.722 -10.035 -12.830 40 HG3 PRO 9 2HG PRO 9 -7.383 -10.189 -11.192 41 HD2 PRO 9 1HD PRO 9 -6.524 -12.322 -12.623 42 HD3 PRO 9 2HD PRO 9 -7.860 -12.429 -11.459 43 H GLU 10 H GLU 10 -9.857 -8.773 -14.867 44 HA GLU 10 HA GLU 10 -8.028 -9.010 -17.134 45 HB2 GLU 10 1HB GLU 10 -10.064 -8.088 -18.536 46 HB3 GLU 10 2HB GLU 10 -9.833 -9.815 -18.301 47 HG2 GLU 10 1HG GLU 10 -11.400 -9.634 -16.335 48 HG3 GLU 10 2HG GLU 10 -11.766 -8.002 -16.891 49 H LYS 11 H LYS 11 -7.437 -7.040 -18.068 50 HA LYS 11 HA LYS 11 -8.613 -4.567 -17.181 51 HB2 LYS 11 1HB LYS 11 -6.930 -5.427 -15.372 52 HB3 LYS 11 2HB LYS 11 -5.707 -4.882 -16.512 53 HG2 LYS 11 1HG LYS 11 -6.281 -2.661 -16.277 54 HG3 LYS 11 2HG LYS 11 -7.910 -3.035 -15.706 55 HD2 LYS 11 1HD LYS 11 -5.419 -3.674 -14.137 56 HD3 LYS 11 2HD LYS 11 -6.315 -2.164 -13.959 57 HE2 LYS 11 1HE LYS 11 -8.360 -3.703 -13.581 58 HE3 LYS 11 2HE LYS 11 -7.158 -4.958 -13.279 59 HZ1 LYS 11 1HZ LYS 11 -6.941 -2.388 -11.872 60 HZ2 LYS 11 2HZ LYS 11 -6.416 -3.922 -11.389 61 HZ3 LYS 11 3HZ LYS 11 -8.062 -3.534 -11.330 62 H LEU 12 H LEU 12 -7.914 -2.766 -18.386 63 HA LEU 12 HA LEU 12 -5.784 -2.932 -20.276 64 HB2 LEU 12 1HB LEU 12 -7.086 -2.873 -22.308 65 HB3 LEU 12 2HB LEU 12 -7.428 -4.347 -21.407 66 HG LEU 12 HG LEU 12 -9.224 -1.933 -21.314 67 HD11 LEU 12 1HD1 LEU 12 -10.621 -3.514 -22.873 68 HD12 LEU 12 2HD1 LEU 12 -9.027 -4.112 -23.333 69 HD13 LEU 12 3HD1 LEU 12 -9.424 -2.407 -23.545 70 HD21 LEU 12 1HD2 LEU 12 -10.835 -3.945 -20.828 71 HD22 LEU 12 2HD2 LEU 12 -9.837 -3.260 -19.545 72 HD23 LEU 12 3HD2 LEU 12 -9.341 -4.751 -20.349 73 H GLY 13 H GLY 13 -5.586 -0.967 -21.576 74 HA2 GLY 13 1HA GLY 13 -6.389 1.267 -22.083 75 HA3 GLY 13 2HA GLY 13 -7.169 1.283 -20.507 76 H GLN 14 H GLN 14 -5.937 3.422 -20.592 77 HA GLN 14 HA GLN 14 -3.709 3.212 -18.837 78 HB2 GLN 14 1HB GLN 14 -2.655 2.712 -21.067 79 HB3 GLN 14 2HB GLN 14 -3.097 4.337 -21.572 80 HG2 GLN 14 1HG GLN 14 -1.471 3.901 -19.103 81 HG3 GLN 14 2HG GLN 14 -0.716 3.893 -20.696 82 HE21 GLN 14 1HE2 GLN 14 -1.624 5.822 -22.087 83 HE22 GLN 14 2HE2 GLN 14 -1.530 7.359 -21.303 84 H ALA 15 H ALA 15 -3.135 5.201 -17.906 85 HA ALA 15 HA ALA 15 -4.355 7.643 -18.865 86 HB1 ALA 15 1HB ALA 15 -6.094 6.383 -17.472 87 HB2 ALA 15 2HB ALA 15 -5.081 6.783 -16.083 88 HB3 ALA 15 3HB ALA 15 -5.783 8.070 -17.064 89 H LEU 16 H LEU 16 -3.446 9.505 -17.972 90 HA LEU 16 HA LEU 16 -1.287 9.113 -16.022 91 HB2 LEU 16 1HB LEU 16 0.003 10.847 -17.390 92 HB3 LEU 16 2HB LEU 16 -0.049 9.189 -17.984 93 HG LEU 16 HG LEU 16 -1.967 11.252 -19.014 94 HD11 LEU 16 1HD1 LEU 16 -0.410 12.343 -20.155 95 HD12 LEU 16 2HD1 LEU 16 0.264 10.836 -20.772 96 HD13 LEU 16 3HD1 LEU 16 0.814 11.479 -19.225 97 HD21 LEU 16 1HD2 LEU 16 -1.282 9.576 -21.048 98 HD22 LEU 16 2HD2 LEU 16 -2.681 9.368 -19.995 99 HD23 LEU 16 3HD2 LEU 16 -1.182 8.503 -19.652 100 H THR 17 H THR 17 -2.642 10.035 -14.447 101 HA THR 17 HA THR 17 -2.738 12.953 -14.568 102 HB THR 17 HB THR 17 -5.034 13.052 -13.733 103 HG1 THR 17 1HG THR 17 -4.838 10.228 -13.926 104 HG21 THR 17 1HG2 THR 17 -4.878 11.377 -16.243 105 HG22 THR 17 2HG2 THR 17 -4.614 13.120 -16.174 106 HG23 THR 17 3HG2 THR 17 -6.195 12.450 -15.771 107 H GLU 18 H GLU 18 -2.034 13.828 -12.730 108 HA GLU 18 HA GLU 18 -2.439 12.446 -10.197 109 HB2 GLU 18 1HB GLU 18 0.249 13.038 -11.406 110 HB3 GLU 18 2HB GLU 18 0.042 12.955 -9.661 111 HG2 GLU 18 1HG GLU 18 -0.780 10.670 -9.860 112 HG3 GLU 18 2HG GLU 18 -0.595 10.751 -11.611 113 H VAL 19 H VAL 19 -3.229 13.888 -8.828 114 HA VAL 19 HA VAL 19 -3.526 16.581 -9.239 115 HB VAL 19 HB VAL 19 -4.790 15.597 -7.499 116 HG11 VAL 19 1HG1 VAL 19 -2.525 15.125 -5.658 117 HG12 VAL 19 2HG1 VAL 19 -4.025 14.219 -5.872 118 HG13 VAL 19 3HG1 VAL 19 -2.694 14.005 -7.009 119 HG21 VAL 19 1HG2 VAL 19 -3.895 17.973 -7.179 120 HG22 VAL 19 2HG2 VAL 19 -4.576 17.162 -5.769 121 HG23 VAL 19 3HG2 VAL 19 -2.826 17.271 -5.965 122 H TYR 20 H TYR 20 -2.494 18.454 -8.424 123 HA TYR 20 HA TYR 20 0.244 18.129 -7.439 124 HB2 TYR 20 1HB TYR 20 0.920 19.992 -9.063 125 HB3 TYR 20 2HB TYR 20 0.690 18.384 -9.740 126 HD1 TYR 20 2HD TYR 20 -1.736 17.909 -10.663 127 HD2 TYR 20 1HD TYR 20 -0.083 21.791 -10.114 128 HE1 TYR 20 2HE TYR 20 -3.345 18.817 -12.285 129 HE2 TYR 20 1HE TYR 20 -1.689 22.710 -11.735 130 HH TYR 20 HH TYR 20 -3.046 21.852 -13.671 131 H ALA 21 H ALA 21 0.721 19.508 -5.851 132 HA ALA 21 HA ALA 21 -0.582 22.099 -5.684 133 HB1 ALA 21 1HB ALA 21 -1.352 21.733 -3.372 134 HB2 ALA 21 2HB ALA 21 -2.178 20.692 -4.533 135 HB3 ALA 21 3HB ALA 21 -0.900 20.033 -3.510 136 H LYS 22 H LYS 22 0.158 23.016 -3.318 137 HA LYS 22 HA LYS 22 3.027 22.434 -3.037 138 HB2 LYS 22 1HB LYS 22 3.501 24.821 -2.829 139 HB3 LYS 22 2HB LYS 22 2.768 24.466 -4.387 140 HG2 LYS 22 1HG LYS 22 0.988 25.295 -2.159 141 HG3 LYS 22 2HG LYS 22 2.001 26.520 -2.927 142 HD2 LYS 22 1HD LYS 22 1.062 25.973 -5.098 143 HD3 LYS 22 2HD LYS 22 0.103 24.676 -4.379 144 HE2 LYS 22 1HE LYS 22 -1.185 26.250 -3.112 145 HE3 LYS 22 2HE LYS 22 -0.133 27.577 -3.600 146 HZ1 LYS 22 1HZ LYS 22 -1.669 27.898 -5.174 147 HZ2 LYS 22 2HZ LYS 22 -2.321 26.345 -5.021 148 HZ3 LYS 22 3HZ LYS 22 -0.941 26.592 -5.968 149 H ALA 23 H ALA 23 0.410 21.914 -1.513 150 HA ALA 23 HA ALA 23 0.344 23.357 0.863 151 HB1 ALA 23 1HB ALA 23 -0.513 21.015 1.759 152 HB2 ALA 23 2HB ALA 23 -1.486 22.014 0.678 153 HB3 ALA 23 3HB ALA 23 -0.565 20.657 0.032 154 H ASN 24 H ASN 24 1.734 23.550 2.484 155 HA ASN 24 HA ASN 24 3.880 21.560 2.740 156 HB2 ASN 24 1HB ASN 24 4.452 24.001 2.357 157 HB3 ASN 24 2HB ASN 24 3.815 24.318 3.968 158 HD21 ASN 24 1HD2 ASN 24 6.076 22.141 2.319 159 HD22 ASN 24 2HD2 ASN 24 7.275 22.166 3.564 160 H SER 25 H SER 25 1.406 20.838 3.756 161 HA SER 25 HA SER 25 1.839 21.040 6.665 162 HB2 SER 25 1HB SER 25 -0.319 22.038 5.557 163 HB3 SER 25 2HB SER 25 -0.839 20.353 5.500 164 HG SER 25 HG SER 25 -1.528 21.219 7.432 165 H PHE 26 H PHE 26 2.551 19.215 7.522 166 HA PHE 26 HA PHE 26 3.051 16.836 6.416 167 HB2 PHE 26 1HB PHE 26 3.304 17.653 8.894 168 HB3 PHE 26 2HB PHE 26 1.798 16.774 9.136 169 HD1 PHE 26 2HD PHE 26 5.141 16.272 7.558 170 HD2 PHE 26 1HD PHE 26 1.939 14.586 9.797 171 HE1 PHE 26 2HE PHE 26 6.408 14.175 7.782 172 HE2 PHE 26 1HE PHE 26 3.201 12.486 10.026 173 HZ PHE 26 HZ PHE 26 5.438 12.278 9.017 174 H THR 27 H THR 27 2.036 14.894 5.984 175 HA THR 27 HA THR 27 -0.891 14.830 6.257 176 HB THR 27 HB THR 27 0.698 14.217 3.766 177 HG1 THR 27 1HG THR 27 -0.327 15.939 2.977 178 HG21 THR 27 1HG2 THR 27 -1.390 13.416 2.770 179 HG22 THR 27 2HG2 THR 27 -2.208 13.606 4.321 180 HG23 THR 27 3HG2 THR 27 -0.919 12.415 4.143 181 H VAL 28 H VAL 28 -1.711 12.933 6.937 182 HA VAL 28 HA VAL 28 0.080 10.594 6.982 183 HB VAL 28 HB VAL 28 -1.852 11.408 9.158 184 HG11 VAL 28 1HG1 VAL 28 -1.136 8.871 8.500 185 HG12 VAL 28 2HG1 VAL 28 0.116 9.293 9.670 186 HG13 VAL 28 3HG1 VAL 28 -1.586 9.396 10.122 187 HG21 VAL 28 1HG2 VAL 28 -0.106 12.793 9.612 188 HG22 VAL 28 2HG2 VAL 28 0.506 11.335 10.394 189 HG23 VAL 28 3HG2 VAL 28 1.066 11.772 8.781 190 H SER 29 H SER 29 -0.726 9.091 5.681 191 HA SER 29 HA SER 29 -3.631 8.611 5.724 192 HB2 SER 29 1HB SER 29 -3.704 8.303 3.380 193 HB3 SER 29 2HB SER 29 -2.739 9.761 3.611 194 HG SER 29 HG SER 29 -0.873 8.309 3.489 195 H SER 30 H SER 30 -4.303 6.462 5.474 196 HA SER 30 HA SER 30 -2.177 4.477 5.948 197 HB2 SER 30 1HB SER 30 -3.880 3.145 7.133 198 HB3 SER 30 2HB SER 30 -3.698 4.743 7.856 199 HG SER 30 HG SER 30 -5.535 5.209 6.231 200 H VAL 31 H VAL 31 -2.455 2.362 5.040 201 HA VAL 31 HA VAL 31 -4.174 2.334 2.645 202 HB VAL 31 HB VAL 31 -1.395 1.203 2.969 203 HG11 VAL 31 1HG1 VAL 31 -1.825 -0.293 1.389 204 HG12 VAL 31 2HG1 VAL 31 -3.519 0.203 1.394 205 HG13 VAL 31 3HG1 VAL 31 -2.374 0.984 0.303 206 HG21 VAL 31 1HG2 VAL 31 -2.534 3.322 1.150 207 HG22 VAL 31 2HG2 VAL 31 -1.415 3.572 2.490 208 HG23 VAL 31 3HG2 VAL 31 -0.892 2.687 1.057 209 H ALA 32 H ALA 32 -5.602 0.732 2.554 210 HA ALA 32 HA ALA 32 -5.886 -1.164 4.619 211 HB1 ALA 32 1HB ALA 32 -7.686 -2.096 3.293 212 HB2 ALA 32 2HB ALA 32 -7.760 -0.334 3.259 213 HB3 ALA 32 3HB ALA 32 -7.125 -1.218 1.870 214 H ALA 33 H ALA 33 -4.181 -2.524 4.909 215 HA ALA 33 HA ALA 33 -3.694 -4.462 2.757 216 HB1 ALA 33 1HB ALA 33 -1.887 -2.542 3.178 217 HB2 ALA 33 2HB ALA 33 -1.349 -3.701 4.394 218 HB3 ALA 33 3HB ALA 33 -1.445 -4.182 2.700 219 HA PRO 34 HA PRO 34 -4.296 -7.418 5.965 220 HB2 PRO 34 1HB PRO 34 -3.071 -9.549 4.815 221 HB3 PRO 34 2HB PRO 34 -4.645 -8.945 4.284 222 HG2 PRO 34 1HG PRO 34 -1.934 -8.463 3.106 223 HG3 PRO 34 2HG PRO 34 -3.465 -8.816 2.284 224 HD2 PRO 34 1HD PRO 34 -2.458 -6.310 2.473 225 HD3 PRO 34 2HD PRO 34 -4.202 -6.639 2.450 226 H SER 35 H SER 35 -2.994 -9.091 7.224 227 HA SER 35 HA SER 35 -0.264 -8.077 7.681 228 HB2 SER 35 1HB SER 35 -0.555 -8.625 10.060 229 HB3 SER 35 2HB SER 35 -1.778 -7.474 9.523 230 HG SER 35 HG SER 35 -2.250 -10.261 9.564 231 H TRP 36 H TRP 36 -2.273 -10.791 7.088 232 HA TRP 36 HA TRP 36 -0.692 -12.868 8.113 233 HB2 TRP 36 1HB TRP 36 -1.859 -14.279 6.381 234 HB3 TRP 36 2HB TRP 36 -2.932 -13.348 7.422 235 HD1 TRP 36 HD TRP 36 -4.269 -11.309 6.301 236 HE1 TRP 36 1HE TRP 36 -4.851 -10.790 3.847 237 HE3 TRP 36 3HE TRP 36 -0.980 -14.474 4.000 238 HZ2 TRP 36 2HZ TRP 36 -4.025 -11.614 1.278 239 HZ3 TRP 36 3HZ TRP 36 -0.939 -14.549 1.540 240 HH2 TRP 36 HH TRP 36 -2.431 -13.149 0.210 241 H LEU 37 H LEU 37 -0.166 -10.761 5.484 242 HA LEU 37 HA LEU 37 1.912 -12.539 4.394 243 HB2 LEU 37 1HB LEU 37 1.809 -10.920 2.424 244 HB3 LEU 37 2HB LEU 37 0.469 -12.045 2.638 245 HG LEU 37 HG LEU 37 -0.744 -10.117 3.792 246 HD11 LEU 37 1HD1 LEU 37 1.361 -8.506 2.361 247 HD12 LEU 37 2HD1 LEU 37 1.279 -8.728 4.108 248 HD13 LEU 37 3HD1 LEU 37 -0.021 -7.885 3.264 249 HD21 LEU 37 1HD2 LEU 37 -0.727 -9.022 1.229 250 HD22 LEU 37 2HD2 LEU 37 -1.813 -10.266 1.849 251 HD23 LEU 37 3HD2 LEU 37 -0.335 -10.727 1.003 252 H HIS 38 H HIS 38 1.982 -10.649 6.750 253 HA HIS 38 HA HIS 38 3.534 -8.393 6.137 254 HB2 HIS 38 1HB HIS 38 3.020 -9.994 8.603 255 HB3 HIS 38 2HB HIS 38 4.344 -8.833 8.622 256 HD2 HIS 38 2HD HIS 38 2.141 -6.885 6.586 257 HE1 HIS 38 1HE HIS 38 0.481 -6.346 10.453 258 HE2 HIS 38 2HE HIS 38 0.490 -5.550 8.063 259 H ARG 39 H ARG 39 4.466 -11.701 6.991 260 HA ARG 39 HA ARG 39 7.230 -11.299 7.150 261 HB2 ARG 39 1HB ARG 39 7.454 -13.663 6.998 262 HB3 ARG 39 2HB ARG 39 5.952 -13.354 7.859 263 HG2 ARG 39 1HG ARG 39 4.648 -14.135 6.156 264 HG3 ARG 39 2HG ARG 39 5.836 -13.730 4.915 265 HD2 ARG 39 1HD ARG 39 5.904 -16.057 5.000 266 HD3 ARG 39 2HD ARG 39 7.279 -15.564 5.987 267 HE ARG 39 HE ARG 39 5.052 -15.867 7.655 268 HH11 ARG 39 1HH1 ARG 39 7.184 -17.795 5.692 269 HH12 ARG 39 2HH1 ARG 39 7.005 -19.218 6.663 270 HH21 ARG 39 1HH2 ARG 39 4.806 -17.734 8.942 271 HH22 ARG 39 2HH2 ARG 39 5.651 -19.183 8.512 272 H PHE 40 H PHE 40 5.149 -11.218 4.460 273 HA PHE 40 HA PHE 40 7.359 -11.666 2.582 274 HB2 PHE 40 1HB PHE 40 4.371 -11.538 2.138 275 HB3 PHE 40 2HB PHE 40 5.556 -11.717 0.848 276 HD1 PHE 40 2HD PHE 40 7.384 -13.671 1.574 277 HD2 PHE 40 1HD PHE 40 3.265 -13.474 2.626 278 HE1 PHE 40 2HE PHE 40 7.351 -16.111 1.882 279 HE2 PHE 40 1HE PHE 40 3.225 -15.915 2.937 280 HZ PHE 40 HZ PHE 40 5.269 -17.237 2.564 281 H ILE 41 H ILE 41 4.967 -9.298 3.597 282 HA ILE 41 HA ILE 41 5.561 -7.369 1.600 283 HB ILE 41 HB ILE 41 3.503 -7.533 3.192 284 HG12 ILE 41 1HG1 ILE 41 4.599 -4.762 2.781 285 HG13 ILE 41 2HG1 ILE 41 4.125 -5.762 1.413 286 HG21 ILE 41 1HG2 ILE 41 5.098 -5.575 4.806 287 HG22 ILE 41 2HG2 ILE 41 3.577 -6.368 5.211 288 HG23 ILE 41 3HG2 ILE 41 5.079 -7.293 5.205 289 HD11 ILE 41 1HD1 ILE 41 1.948 -5.946 3.052 290 HD12 ILE 41 2HD1 ILE 41 2.488 -4.287 3.312 291 HD13 ILE 41 3HD1 ILE 41 2.116 -4.849 1.682 292 H ILE 42 H ILE 42 6.805 -8.003 4.828 293 HA ILE 42 HA ILE 42 8.387 -5.609 4.933 294 HB ILE 42 HB ILE 42 8.392 -8.100 6.634 295 HG12 ILE 42 1HG1 ILE 42 7.590 -5.294 7.397 296 HG13 ILE 42 2HG1 ILE 42 6.448 -6.437 6.698 297 HG21 ILE 42 1HG2 ILE 42 9.960 -5.558 7.051 298 HG22 ILE 42 2HG2 ILE 42 9.882 -6.927 8.159 299 HG23 ILE 42 3HG2 ILE 42 10.636 -7.116 6.576 300 HD11 ILE 42 1HD1 ILE 42 7.017 -7.992 8.581 301 HD12 ILE 42 2HD1 ILE 42 7.906 -6.656 9.312 302 HD13 ILE 42 3HD1 ILE 42 6.169 -6.516 9.041 303 H GLY 43 H GLY 43 9.159 -9.076 4.584 304 HA2 GLY 43 1HA GLY 43 10.738 -9.713 2.824 305 HA3 GLY 43 2HA GLY 43 11.643 -8.257 3.211 306 H LYS 44 H LYS 44 12.423 -11.130 3.167 307 HA LYS 44 HA LYS 44 12.741 -12.233 5.681 308 HB2 LYS 44 1HB LYS 44 13.333 -13.507 3.745 309 HB3 LYS 44 2HB LYS 44 14.544 -12.327 3.263 310 HG2 LYS 44 1HG LYS 44 15.913 -13.882 4.175 311 HG3 LYS 44 2HG LYS 44 15.551 -12.957 5.635 312 HD2 LYS 44 1HD LYS 44 13.728 -15.191 4.911 313 HD3 LYS 44 2HD LYS 44 15.321 -15.598 5.552 314 HE2 LYS 44 1HE LYS 44 14.178 -15.447 7.514 315 HE3 LYS 44 2HE LYS 44 14.648 -13.758 7.343 316 HZ1 LYS 44 1HZ LYS 44 12.273 -14.054 5.957 317 HZ2 LYS 44 2HZ LYS 44 12.509 -13.248 7.425 318 HZ3 LYS 44 3HZ LYS 44 12.054 -14.876 7.419 319 H LYS 45 H LYS 45 15.098 -10.177 3.964 320 HA LYS 45 HA LYS 45 16.258 -9.490 6.584 321 HB2 LYS 45 1HB LYS 45 17.684 -10.726 4.834 322 HB3 LYS 45 2HB LYS 45 17.686 -9.207 3.949 323 HG2 LYS 45 1HG LYS 45 18.727 -8.088 5.844 324 HG3 LYS 45 2HG LYS 45 18.700 -9.597 6.758 325 HD2 LYS 45 1HD LYS 45 20.229 -10.628 5.237 326 HD3 LYS 45 2HD LYS 45 20.113 -9.270 4.115 327 HE2 LYS 45 1HE LYS 45 21.262 -7.829 5.612 328 HE3 LYS 45 2HE LYS 45 21.140 -8.991 6.931 329 HZ1 LYS 45 1HZ LYS 45 23.033 -9.911 6.292 330 HZ2 LYS 45 2HZ LYS 45 23.207 -8.721 5.103 331 HZ3 LYS 45 3HZ LYS 45 22.442 -10.182 4.730 332 H GLY 46 H GLY 46 14.009 -8.122 5.773 333 HA2 GLY 46 1HA GLY 46 13.187 -6.023 5.301 334 HA3 GLY 46 2HA GLY 46 14.655 -5.480 6.099 335 H GLN 47 H GLN 47 13.410 -6.560 2.955 336 HA GLN 47 HA GLN 47 15.403 -4.809 1.674 337 HB2 GLN 47 1HB GLN 47 15.347 -7.410 1.273 338 HB3 GLN 47 2HB GLN 47 14.028 -7.006 0.182 339 HG2 GLN 47 1HG GLN 47 16.251 -7.182 -0.910 340 HG3 GLN 47 2HG GLN 47 15.444 -5.633 -1.148 341 HE21 GLN 47 1HE2 GLN 47 17.365 -4.572 -1.590 342 HE22 GLN 47 2HE2 GLN 47 18.530 -4.218 -0.365 343 H ASN 48 H ASN 48 12.133 -6.148 1.201 344 HA ASN 48 HA ASN 48 11.279 -4.447 -0.807 345 HB2 ASN 48 1HB ASN 48 9.677 -5.661 1.455 346 HB3 ASN 48 2HB ASN 48 8.973 -4.915 0.024 347 HD21 ASN 48 1HD2 ASN 48 9.286 -7.752 1.263 348 HD22 ASN 48 2HD2 ASN 48 9.656 -8.723 -0.118 349 H LEU 49 H LEU 49 11.210 -3.962 2.698 350 HA LEU 49 HA LEU 49 9.964 -1.372 2.467 351 HB2 LEU 49 1HB LEU 49 11.054 -3.002 4.731 352 HB3 LEU 49 2HB LEU 49 10.640 -1.305 4.966 353 HG LEU 49 HG LEU 49 8.700 -3.405 4.008 354 HD11 LEU 49 1HD1 LEU 49 8.762 -2.201 6.753 355 HD12 LEU 49 2HD1 LEU 49 9.642 -3.681 6.371 356 HD13 LEU 49 3HD1 LEU 49 7.889 -3.625 6.185 357 HD21 LEU 49 1HD2 LEU 49 8.559 -0.687 3.766 358 HD22 LEU 49 2HD2 LEU 49 7.728 -0.967 5.296 359 HD23 LEU 49 3HD2 LEU 49 7.173 -1.777 3.830 360 H ALA 50 H ALA 50 13.177 -2.584 3.396 361 HA ALA 50 HA ALA 50 14.458 -0.220 3.954 362 HB1 ALA 50 1HB ALA 50 15.606 -2.604 2.507 363 HB2 ALA 50 2HB ALA 50 16.540 -1.335 3.300 364 HB3 ALA 50 3HB ALA 50 15.503 -2.396 4.256 365 H LYS 51 H LYS 51 13.407 -1.422 0.876 366 HA LYS 51 HA LYS 51 15.041 0.338 -0.698 367 HB2 LYS 51 1HB LYS 51 13.834 -1.942 -1.316 368 HB3 LYS 51 2HB LYS 51 12.530 -0.856 -1.780 369 HG2 LYS 51 1HG LYS 51 15.317 -0.428 -2.783 370 HG3 LYS 51 2HG LYS 51 14.231 -1.580 -3.563 371 HD2 LYS 51 1HD LYS 51 12.607 0.179 -3.960 372 HD3 LYS 51 2HD LYS 51 13.619 1.339 -3.097 373 HE2 LYS 51 1HE LYS 51 14.035 1.731 -5.377 374 HE3 LYS 51 2HE LYS 51 15.421 0.803 -4.808 375 HZ1 LYS 51 1HZ LYS 51 13.109 -0.558 -6.031 376 HZ2 LYS 51 2HZ LYS 51 14.710 -1.088 -5.905 377 HZ3 LYS 51 3HZ LYS 51 14.309 0.134 -7.004 378 H ILE 52 H ILE 52 11.517 0.170 -0.152 379 HA ILE 52 HA ILE 52 10.782 2.532 -1.352 380 HB ILE 52 HB ILE 52 9.596 1.391 1.181 381 HG12 ILE 52 1HG1 ILE 52 8.701 0.950 -1.671 382 HG13 ILE 52 2HG1 ILE 52 9.762 -0.163 -0.813 383 HG21 ILE 52 1HG2 ILE 52 8.579 3.394 -0.817 384 HG22 ILE 52 2HG2 ILE 52 7.515 2.522 0.285 385 HG23 ILE 52 3HG2 ILE 52 8.767 3.585 0.926 386 HD11 ILE 52 1HD1 ILE 52 7.686 -1.116 -0.530 387 HD12 ILE 52 2HD1 ILE 52 7.880 -0.193 0.961 388 HD13 ILE 52 3HD1 ILE 52 6.879 0.441 -0.344 389 H THR 53 H THR 53 11.463 2.124 2.128 390 HA THR 53 HA THR 53 11.273 4.753 2.918 391 HB THR 53 HB THR 53 11.558 3.058 4.582 392 HG1 THR 53 1HG THR 53 12.670 5.268 4.773 393 HG21 THR 53 1HG2 THR 53 14.393 2.531 4.283 394 HG22 THR 53 2HG2 THR 53 13.479 2.015 2.865 395 HG23 THR 53 3HG2 THR 53 13.052 1.401 4.462 396 H GLN 54 H GLN 54 14.007 3.114 1.406 397 HA GLN 54 HA GLN 54 15.896 5.176 1.725 398 HB2 GLN 54 1HB GLN 54 16.623 2.960 1.134 399 HB3 GLN 54 2HB GLN 54 15.672 2.989 -0.345 400 HG2 GLN 54 1HG GLN 54 17.763 3.415 -1.160 401 HG3 GLN 54 2HG GLN 54 17.159 5.053 -0.919 402 HE21 GLN 54 1HE2 GLN 54 17.831 6.190 0.987 403 HE22 GLN 54 2HE2 GLN 54 19.351 5.820 1.722 404 H GLN 55 H GLN 55 13.788 4.368 -1.028 405 HA GLN 55 HA GLN 55 14.587 6.552 -2.631 406 HB2 GLN 55 1HB GLN 55 13.216 4.353 -3.177 407 HB3 GLN 55 2HB GLN 55 11.841 5.409 -2.880 408 HG2 GLN 55 1HG GLN 55 13.852 5.480 -5.064 409 HG3 GLN 55 2HG GLN 55 12.100 5.657 -5.133 410 HE21 GLN 55 1HE2 GLN 55 11.172 7.661 -4.636 411 HE22 GLN 55 2HE2 GLN 55 12.096 9.120 -4.664 412 H MET 56 H MET 56 12.144 6.174 -0.151 413 HA MET 56 HA MET 56 11.612 9.059 -0.327 414 HB2 MET 56 1HB MET 56 9.587 6.844 -0.022 415 HB3 MET 56 2HB MET 56 9.232 8.522 0.364 416 HG2 MET 56 1HG MET 56 9.226 9.173 -1.818 417 HG3 MET 56 2HG MET 56 10.353 7.912 -2.313 418 HE1 MET 56 1HE MET 56 9.955 6.239 -3.492 419 HE2 MET 56 2HE MET 56 9.063 4.975 -2.647 420 HE3 MET 56 3HE MET 56 8.418 5.666 -4.137 421 HA PRO 57 HA PRO 57 12.952 7.946 3.939 422 HB2 PRO 57 1HB PRO 57 14.397 10.216 4.306 423 HB3 PRO 57 2HB PRO 57 15.051 8.779 3.512 424 HG2 PRO 57 1HG PRO 57 13.954 11.281 2.290 425 HG3 PRO 57 2HG PRO 57 15.399 10.357 1.841 426 HD2 PRO 57 1HD PRO 57 13.062 10.157 0.489 427 HD3 PRO 57 2HD PRO 57 14.185 8.793 0.662 428 H LYS 58 H LYS 58 11.683 10.957 2.600 429 HA LYS 58 HA LYS 58 10.922 12.195 4.993 430 HB2 LYS 58 1HB LYS 58 9.793 12.382 2.202 431 HB3 LYS 58 2HB LYS 58 9.231 13.391 3.527 432 HG2 LYS 58 1HG LYS 58 12.137 13.290 2.838 433 HG3 LYS 58 2HG LYS 58 11.027 14.299 1.908 434 HD2 LYS 58 1HD LYS 58 11.012 14.460 4.890 435 HD3 LYS 58 2HD LYS 58 12.287 15.279 3.983 436 HE2 LYS 58 1HE LYS 58 10.760 16.671 2.879 437 HE3 LYS 58 2HE LYS 58 9.389 15.644 3.293 438 HZ1 LYS 58 1HZ LYS 58 10.676 17.724 4.844 439 HZ2 LYS 58 2HZ LYS 58 10.279 16.331 5.715 440 HZ3 LYS 58 3HZ LYS 58 9.075 17.177 4.881 441 H VAL 59 H VAL 59 9.395 9.685 3.100 442 HA VAL 59 HA VAL 59 6.942 9.804 4.653 443 HB VAL 59 HB VAL 59 7.795 7.905 2.464 444 HG11 VAL 59 1HG1 VAL 59 5.949 6.687 2.790 445 HG12 VAL 59 2HG1 VAL 59 5.889 7.438 4.385 446 HG13 VAL 59 3HG1 VAL 59 4.949 8.114 3.056 447 HG21 VAL 59 1HG2 VAL 59 5.646 9.979 2.259 448 HG22 VAL 59 2HG2 VAL 59 7.334 10.401 1.975 449 HG23 VAL 59 3HG2 VAL 59 6.549 9.181 0.973 450 H HIS 60 H HIS 60 6.487 8.573 6.367 451 HA HIS 60 HA HIS 60 8.450 6.535 7.151 452 HB2 HIS 60 1HB HIS 60 6.648 8.369 8.652 453 HB3 HIS 60 2HB HIS 60 6.997 6.802 9.375 454 HD1 HIS 60 1HD HIS 60 9.945 6.479 8.746 455 HD2 HIS 60 2HD HIS 60 8.266 10.061 10.015 456 HE1 HIS 60 1HE HIS 60 11.841 7.793 9.746 457 H ILE 61 H ILE 61 7.930 4.448 7.133 458 HA ILE 61 HA ILE 61 5.159 3.711 6.543 459 HB ILE 61 HB ILE 61 7.626 1.972 6.449 460 HG12 ILE 61 1HG1 ILE 61 6.170 3.096 4.067 461 HG13 ILE 61 2HG1 ILE 61 7.479 3.986 4.838 462 HG21 ILE 61 1HG2 ILE 61 6.086 0.350 6.402 463 HG22 ILE 61 2HG2 ILE 61 4.772 1.481 6.089 464 HG23 ILE 61 3HG2 ILE 61 5.766 0.896 4.757 465 HD11 ILE 61 1HD1 ILE 61 7.673 1.244 3.616 466 HD12 ILE 61 2HD1 ILE 61 8.292 2.747 2.930 467 HD13 ILE 61 3HD1 ILE 61 8.986 2.104 4.419 468 H GLU 62 H GLU 62 3.908 2.562 7.903 469 HA GLU 62 HA GLU 62 5.144 1.446 10.326 470 HB2 GLU 62 1HB GLU 62 4.140 3.572 10.948 471 HB3 GLU 62 2HB GLU 62 2.621 3.104 10.196 472 HG2 GLU 62 1HG GLU 62 2.178 2.704 12.405 473 HG3 GLU 62 2HG GLU 62 2.718 1.114 11.867 474 H PHE 63 H PHE 63 4.226 -0.424 11.128 475 HA PHE 63 HA PHE 63 2.006 -1.572 9.575 476 HB2 PHE 63 1HB PHE 63 4.700 -2.720 10.146 477 HB3 PHE 63 2HB PHE 63 3.320 -3.814 10.125 478 HD1 PHE 63 2HD PHE 63 1.944 -4.007 8.056 479 HD2 PHE 63 1HD PHE 63 5.625 -1.872 8.153 480 HE1 PHE 63 2HE PHE 63 2.067 -4.115 5.602 481 HE2 PHE 63 1HE PHE 63 5.754 -1.976 5.698 482 HZ PHE 63 HZ PHE 63 3.974 -3.100 4.419 483 H THR 64 H THR 64 0.346 -2.014 10.848 484 HA THR 64 HA THR 64 0.660 -2.138 13.713 485 HB THR 64 HB THR 64 -1.817 -2.437 13.732 486 HG1 THR 64 1HG THR 64 -2.753 -3.019 11.934 487 HG21 THR 64 1HG2 THR 64 -2.132 -0.167 12.297 488 HG22 THR 64 2HG2 THR 64 -0.386 -0.151 12.542 489 HG23 THR 64 3HG2 THR 64 -1.471 -0.211 13.930 490 H GLU 65 H GLU 65 -0.018 -3.885 15.044 491 HA GLU 65 HA GLU 65 0.264 -6.500 13.728 492 HB2 GLU 65 1HB GLU 65 0.987 -7.353 15.905 493 HB3 GLU 65 2HB GLU 65 1.989 -6.002 15.390 494 HG2 GLU 65 1HG GLU 65 -0.347 -5.494 17.167 495 HG3 GLU 65 2HG GLU 65 1.135 -6.163 17.846 496 H GLY 66 H GLY 66 -2.221 -4.869 14.038 497 HA2 GLY 66 1HA GLY 66 -3.938 -7.023 14.830 498 HA3 GLY 66 2HA GLY 66 -3.947 -5.706 15.995 499 H GLU 67 H GLU 67 -3.554 -3.645 13.965 500 HA GLU 67 HA GLU 67 -6.318 -3.296 13.251 501 HB2 GLU 67 1HB GLU 67 -3.840 -1.624 12.921 502 HB3 GLU 67 2HB GLU 67 -5.357 -1.163 12.160 503 HG2 GLU 67 1HG GLU 67 -5.246 -1.748 15.089 504 HG3 GLU 67 2HG GLU 67 -4.742 -0.178 14.464 505 H ASP 68 H ASP 68 -3.689 -4.791 11.799 506 HA ASP 68 HA ASP 68 -3.197 -5.481 9.677 507 HB2 ASP 68 1HB ASP 68 -5.467 -5.986 8.371 508 HB3 ASP 68 2HB ASP 68 -4.912 -6.995 9.703 509 H LYS 69 H LYS 69 -2.752 -2.886 9.717 510 HA LYS 69 HA LYS 69 -3.486 -2.046 7.045 511 HB2 LYS 69 1HB LYS 69 -4.483 0.023 7.617 512 HB3 LYS 69 2HB LYS 69 -5.288 -1.184 8.610 513 HG2 LYS 69 1HG LYS 69 -4.097 -0.518 10.546 514 HG3 LYS 69 2HG LYS 69 -2.989 0.479 9.601 515 HD2 LYS 69 1HD LYS 69 -4.537 2.154 9.302 516 HD3 LYS 69 2HD LYS 69 -5.912 1.061 9.483 517 HE2 LYS 69 1HE LYS 69 -5.569 2.663 11.382 518 HE3 LYS 69 2HE LYS 69 -5.625 0.962 11.842 519 HZ1 LYS 69 1HZ LYS 69 -3.573 1.069 12.646 520 HZ2 LYS 69 2HZ LYS 69 -3.662 2.751 12.489 521 HZ3 LYS 69 3HZ LYS 69 -2.967 1.822 11.257 522 H ILE 70 H ILE 70 -2.255 -0.136 6.344 523 HA ILE 70 HA ILE 70 0.300 0.063 7.799 524 HB ILE 70 HB ILE 70 -0.178 0.466 4.844 525 HG12 ILE 70 1HG1 ILE 70 1.328 -1.787 6.174 526 HG13 ILE 70 2HG1 ILE 70 -0.375 -1.908 5.746 527 HG21 ILE 70 1HG2 ILE 70 1.944 1.171 4.637 528 HG22 ILE 70 2HG2 ILE 70 1.801 1.556 6.351 529 HG23 ILE 70 3HG2 ILE 70 2.545 0.038 5.847 530 HD11 ILE 70 1HD1 ILE 70 0.110 -1.703 3.434 531 HD12 ILE 70 2HD1 ILE 70 1.789 -1.271 3.763 532 HD13 ILE 70 3HD1 ILE 70 1.215 -2.904 4.101 533 H THR 71 H THR 71 0.586 1.941 8.784 534 HA THR 71 HA THR 71 -0.878 4.299 7.880 535 HB THR 71 HB THR 71 0.758 3.820 10.377 536 HG1 THR 71 1HG THR 71 -2.000 4.374 10.329 537 HG21 THR 71 1HG2 THR 71 -0.540 6.005 11.029 538 HG22 THR 71 2HG2 THR 71 -0.559 6.268 9.285 539 HG23 THR 71 3HG2 THR 71 0.977 6.102 10.135 540 H LEU 72 H LEU 72 0.036 5.963 6.849 541 HA LEU 72 HA LEU 72 2.972 5.981 6.602 542 HB2 LEU 72 1HB LEU 72 0.809 6.776 4.677 543 HB3 LEU 72 2HB LEU 72 2.477 7.310 4.480 544 HG LEU 72 HG LEU 72 1.988 5.402 3.051 545 HD11 LEU 72 1HD1 LEU 72 4.219 5.758 4.370 546 HD12 LEU 72 2HD1 LEU 72 3.954 4.286 3.437 547 HD13 LEU 72 3HD1 LEU 72 3.733 4.272 5.186 548 HD21 LEU 72 1HD2 LEU 72 1.109 3.411 3.754 549 HD22 LEU 72 2HD2 LEU 72 0.298 4.513 4.867 550 HD23 LEU 72 3HD2 LEU 72 1.710 3.598 5.402 551 H GLU 73 H GLU 73 4.056 7.987 6.624 552 HA GLU 73 HA GLU 73 2.502 10.327 7.448 553 HB2 GLU 73 1HB GLU 73 4.893 9.270 8.966 554 HB3 GLU 73 2HB GLU 73 4.083 10.798 9.282 555 HG2 GLU 73 1HG GLU 73 2.068 9.653 9.927 556 HG3 GLU 73 2HG GLU 73 2.772 8.098 9.485 557 H GLY 74 H GLY 74 3.180 12.152 6.503 558 HA2 GLY 74 1HA GLY 74 5.546 13.251 6.059 559 HA3 GLY 74 2HA GLY 74 5.560 12.008 4.818 560 HA PRO 75 HA PRO 75 3.663 15.883 3.072 561 HB2 PRO 75 1HB PRO 75 5.212 15.935 0.844 562 HB3 PRO 75 2HB PRO 75 5.698 16.686 2.368 563 HG2 PRO 75 1HG PRO 75 6.495 14.037 1.225 564 HG3 PRO 75 2HG PRO 75 7.500 15.257 2.030 565 HD2 PRO 75 1HD PRO 75 6.604 13.037 3.298 566 HD3 PRO 75 2HD PRO 75 6.850 14.583 4.136 567 H THR 76 H THR 76 1.838 15.613 1.967 568 HA THR 76 HA THR 76 0.791 13.348 0.951 569 HB THR 76 HB THR 76 -0.635 15.227 1.048 570 HG1 THR 76 1HG THR 76 -1.646 14.982 -0.865 571 HG21 THR 76 1HG2 THR 76 1.562 16.661 0.130 572 HG22 THR 76 2HG2 THR 76 -0.041 17.305 0.479 573 HG23 THR 76 3HG2 THR 76 0.372 16.810 -1.162 574 H GLU 77 H GLU 77 3.013 15.507 -0.726 575 HA GLU 77 HA GLU 77 2.845 14.510 -3.303 576 HB2 GLU 77 1HB GLU 77 4.166 16.494 -2.647 577 HB3 GLU 77 2HB GLU 77 5.345 15.440 -1.879 578 HG2 GLU 77 1HG GLU 77 6.195 14.701 -3.869 579 HG3 GLU 77 2HG GLU 77 4.695 15.000 -4.746 580 H ASP 78 H ASP 78 5.192 13.511 -0.806 581 HA ASP 78 HA ASP 78 6.067 11.251 -2.319 582 HB2 ASP 78 1HB ASP 78 6.480 11.799 0.626 583 HB3 ASP 78 2HB ASP 78 7.421 10.708 -0.387 584 H VAL 79 H VAL 79 4.063 11.642 0.592 585 HA VAL 79 HA VAL 79 3.538 9.030 1.222 586 HB VAL 79 HB VAL 79 1.542 11.298 1.266 587 HG11 VAL 79 1HG1 VAL 79 1.548 8.826 2.981 588 HG12 VAL 79 2HG1 VAL 79 0.280 10.044 2.828 589 HG13 VAL 79 3HG1 VAL 79 0.625 8.953 1.485 590 HG21 VAL 79 1HG2 VAL 79 3.951 11.002 2.656 591 HG22 VAL 79 2HG2 VAL 79 2.654 12.148 2.995 592 HG23 VAL 79 3HG2 VAL 79 2.683 10.585 3.809 593 H SER 80 H SER 80 2.139 10.943 -1.378 594 HA SER 80 HA SER 80 0.106 9.104 -2.094 595 HB2 SER 80 1HB SER 80 1.458 11.356 -3.576 596 HB3 SER 80 2HB SER 80 0.198 10.370 -4.319 597 HG SER 80 HG SER 80 -0.864 12.051 -3.413 598 H VAL 81 H VAL 81 3.478 9.454 -2.993 599 HA VAL 81 HA VAL 81 3.360 7.520 -5.114 600 HB VAL 81 HB VAL 81 5.731 8.726 -3.684 601 HG11 VAL 81 1HG1 VAL 81 5.512 6.652 -5.772 602 HG12 VAL 81 2HG1 VAL 81 6.721 7.909 -6.043 603 HG13 VAL 81 3HG1 VAL 81 6.777 6.932 -4.576 604 HG21 VAL 81 1HG2 VAL 81 5.900 10.247 -5.461 605 HG22 VAL 81 2HG2 VAL 81 4.783 9.328 -6.470 606 HG23 VAL 81 3HG2 VAL 81 4.181 10.212 -5.068 607 H ALA 82 H ALA 82 4.860 7.544 -1.879 608 HA ALA 82 HA ALA 82 5.728 4.900 -1.851 609 HB1 ALA 82 1HB ALA 82 6.587 6.206 -0.144 610 HB2 ALA 82 2HB ALA 82 5.004 6.842 0.305 611 HB3 ALA 82 3HB ALA 82 5.432 5.179 0.708 612 H GLN 83 H GLN 83 2.664 6.256 -0.645 613 HA GLN 83 HA GLN 83 1.550 3.874 0.289 614 HB2 GLN 83 1HB GLN 83 -0.475 5.024 0.450 615 HB3 GLN 83 2HB GLN 83 0.727 6.302 0.571 616 HG2 GLN 83 1HG GLN 83 0.378 6.910 -1.732 617 HG3 GLN 83 2HG GLN 83 -0.728 5.556 -1.955 618 HE21 GLN 83 1HE2 GLN 83 -2.802 5.683 -1.159 619 HE22 GLN 83 2HE2 GLN 83 -3.495 7.156 -0.582 620 H GLU 84 H GLU 84 1.454 5.347 -2.925 621 HA GLU 84 HA GLU 84 -0.332 3.475 -4.071 622 HB2 GLU 84 1HB GLU 84 0.389 5.788 -4.954 623 HB3 GLU 84 2HB GLU 84 1.783 4.949 -5.619 624 HG2 GLU 84 1HG GLU 84 0.258 3.466 -6.865 625 HG3 GLU 84 2HG GLU 84 -1.106 4.399 -6.252 626 H GLN 85 H GLN 85 3.202 3.653 -3.932 627 HA GLN 85 HA GLN 85 3.810 1.507 -5.594 628 HB2 GLN 85 1HB GLN 85 5.212 2.737 -3.243 629 HB3 GLN 85 2HB GLN 85 5.878 1.315 -4.033 630 HG2 GLN 85 1HG GLN 85 5.514 2.799 -6.192 631 HG3 GLN 85 2HG GLN 85 5.648 4.102 -5.011 632 HE21 GLN 85 1HE2 GLN 85 7.589 4.814 -5.891 633 HE22 GLN 85 2HE2 GLN 85 9.070 3.953 -5.670 634 H ILE 86 H ILE 86 2.994 1.557 -2.159 635 HA ILE 86 HA ILE 86 3.460 -1.227 -1.745 636 HB ILE 86 HB ILE 86 1.825 0.724 -0.120 637 HG12 ILE 86 1HG1 ILE 86 4.679 -0.242 0.117 638 HG13 ILE 86 2HG1 ILE 86 4.138 1.402 -0.207 639 HG21 ILE 86 1HG2 ILE 86 1.723 -0.861 1.602 640 HG22 ILE 86 2HG2 ILE 86 1.327 -1.765 0.142 641 HG23 ILE 86 3HG2 ILE 86 2.940 -1.889 0.845 642 HD11 ILE 86 1HD1 ILE 86 3.093 1.432 2.043 643 HD12 ILE 86 2HD1 ILE 86 3.823 -0.144 2.351 644 HD13 ILE 86 3HD1 ILE 86 4.847 1.262 2.064 645 H GLU 87 H GLU 87 0.674 0.714 -2.642 646 HA GLU 87 HA GLU 87 -1.359 -1.145 -2.223 647 HB2 GLU 87 1HB GLU 87 -1.023 1.148 -4.125 648 HB3 GLU 87 2HB GLU 87 -2.436 0.109 -4.242 649 HG2 GLU 87 1HG GLU 87 -1.730 1.244 -1.589 650 HG3 GLU 87 2HG GLU 87 -2.453 2.303 -2.798 651 H GLY 88 H GLY 88 1.030 -0.923 -4.753 652 HA2 GLY 88 1HA GLY 88 -0.291 -2.743 -6.541 653 HA3 GLY 88 2HA GLY 88 1.366 -2.171 -6.670 654 H MET 89 H MET 89 2.638 -3.036 -4.522 655 HA MET 89 HA MET 89 3.061 -5.760 -5.007 656 HB2 MET 89 1HB MET 89 4.421 -5.698 -2.914 657 HB3 MET 89 2HB MET 89 4.820 -4.428 -4.062 658 HG2 MET 89 1HG MET 89 3.205 -2.974 -2.690 659 HG3 MET 89 2HG MET 89 3.370 -4.218 -1.455 660 HE1 MET 89 1HE MET 89 6.461 -3.567 0.298 661 HE2 MET 89 2HE MET 89 4.881 -2.833 0.570 662 HE3 MET 89 3HE MET 89 4.994 -4.512 0.040 663 H VAL 90 H VAL 90 0.915 -4.117 -2.813 664 HA VAL 90 HA VAL 90 0.387 -6.263 -1.054 665 HB VAL 90 HB VAL 90 -1.166 -3.794 -1.786 666 HG11 VAL 90 1HG1 VAL 90 -2.034 -6.127 -0.131 667 HG12 VAL 90 2HG1 VAL 90 -2.564 -4.497 0.294 668 HG13 VAL 90 3HG1 VAL 90 -2.956 -5.169 -1.289 669 HG21 VAL 90 1HG2 VAL 90 -0.541 -3.019 0.360 670 HG22 VAL 90 2HG2 VAL 90 -0.005 -4.621 0.865 671 HG23 VAL 90 3HG2 VAL 90 0.914 -3.724 -0.344 672 H LYS 91 H LYS 91 -1.420 -5.070 -3.885 673 HA LYS 91 HA LYS 91 -3.380 -7.093 -3.850 674 HB2 LYS 91 1HB LYS 91 -3.815 -5.085 -5.073 675 HB3 LYS 91 2HB LYS 91 -2.373 -5.298 -6.056 676 HG2 LYS 91 1HG LYS 91 -3.934 -6.014 -7.536 677 HG3 LYS 91 2HG LYS 91 -3.602 -7.545 -6.722 678 HD2 LYS 91 1HD LYS 91 -5.943 -7.403 -6.794 679 HD3 LYS 91 2HD LYS 91 -5.516 -6.925 -5.149 680 HE2 LYS 91 1HE LYS 91 -6.009 -4.700 -5.530 681 HE3 LYS 91 2HE LYS 91 -5.793 -4.842 -7.273 682 HZ1 LYS 91 1HZ LYS 91 -7.891 -5.593 -7.567 683 HZ2 LYS 91 2HZ LYS 91 -8.168 -4.709 -6.152 684 HZ3 LYS 91 3HZ LYS 91 -7.957 -6.385 -6.074 685 H ASP 92 H ASP 92 -0.300 -6.814 -5.574 686 HA ASP 92 HA ASP 92 -0.524 -9.134 -7.131 687 HB2 ASP 92 1HB ASP 92 1.182 -7.445 -7.565 688 HB3 ASP 92 2HB ASP 92 1.954 -7.800 -6.023 689 H LEU 93 H LEU 93 0.780 -8.638 -3.877 690 HA LEU 93 HA LEU 93 1.758 -11.240 -3.479 691 HB2 LEU 93 1HB LEU 93 0.852 -9.070 -1.620 692 HB3 LEU 93 2HB LEU 93 1.370 -10.638 -1.006 693 HG LEU 93 HG LEU 93 3.091 -8.817 -2.686 694 HD11 LEU 93 1HD1 LEU 93 2.612 -7.744 -0.572 695 HD12 LEU 93 2HD1 LEU 93 4.273 -8.335 -0.584 696 HD13 LEU 93 3HD1 LEU 93 3.030 -9.218 0.301 697 HD21 LEU 93 1HD2 LEU 93 4.377 -10.616 -2.884 698 HD22 LEU 93 2HD2 LEU 93 3.323 -11.553 -1.823 699 HD23 LEU 93 3HD2 LEU 93 4.620 -10.571 -1.138 700 H ILE 94 H ILE 94 -1.414 -9.805 -2.871 701 HA ILE 94 HA ILE 94 -2.529 -12.062 -1.571 702 HB ILE 94 HB ILE 94 -3.906 -9.829 -3.068 703 HG12 ILE 94 1HG1 ILE 94 -3.653 -10.169 -0.083 704 HG13 ILE 94 2HG1 ILE 94 -2.450 -9.293 -1.025 705 HG21 ILE 94 1HG2 ILE 94 -5.909 -10.488 -1.799 706 HG22 ILE 94 2HG2 ILE 94 -5.361 -11.756 -2.894 707 HG23 ILE 94 3HG2 ILE 94 -5.031 -11.881 -1.167 708 HD11 ILE 94 1HD1 ILE 94 -5.263 -8.497 -1.418 709 HD12 ILE 94 2HD1 ILE 94 -4.536 -8.118 0.145 710 HD13 ILE 94 3HD1 ILE 94 -3.800 -7.516 -1.340 711 H ASN 95 H ASN 95 -2.731 -10.899 -4.928 712 HA ASN 95 HA ASN 95 -4.404 -12.848 -5.962 713 HB2 ASN 95 1HB ASN 95 -2.142 -11.295 -7.212 714 HB3 ASN 95 2HB ASN 95 -3.137 -12.410 -8.145 715 HD21 ASN 95 1HD2 ASN 95 -3.498 -10.322 -9.305 716 HD22 ASN 95 2HD2 ASN 95 -4.822 -9.346 -8.778 717 H ARG 96 H ARG 96 -1.007 -13.015 -5.166 718 HA ARG 96 HA ARG 96 -0.791 -15.682 -6.352 719 HB2 ARG 96 1HB ARG 96 1.601 -15.487 -5.935 720 HB3 ARG 96 2HB ARG 96 1.017 -14.074 -6.802 721 HG2 ARG 96 1HG ARG 96 0.905 -12.885 -4.598 722 HG3 ARG 96 2HG ARG 96 1.735 -14.272 -3.892 723 HD2 ARG 96 1HD ARG 96 2.904 -12.989 -6.309 724 HD3 ARG 96 2HD ARG 96 3.062 -12.163 -4.759 725 HE ARG 96 HE ARG 96 3.828 -14.876 -4.518 726 HH11 ARG 96 1HH1 ARG 96 4.910 -11.825 -5.797 727 HH12 ARG 96 2HH1 ARG 96 6.593 -12.214 -5.655 728 HH21 ARG 96 1HH2 ARG 96 6.039 -15.400 -4.325 729 HH22 ARG 96 2HH2 ARG 96 7.234 -14.248 -4.818 730 H SER 97 H SER 97 -2.517 -15.602 -4.223 731 HA SER 97 HA SER 97 -0.970 -16.825 -2.032 732 HB2 SER 97 1HB SER 97 -2.187 -14.815 -1.330 733 HB3 SER 97 2HB SER 97 -3.696 -15.507 -1.928 734 HG SER 97 HG SER 97 -3.830 -16.236 0.045 735 H GLY 98 H GLY 98 -1.635 -18.296 -4.338 736 HA2 GLY 98 1HA GLY 98 -3.480 -20.260 -3.149 737 HA3 GLY 98 2HA GLY 98 -3.679 -19.775 -4.826 738 HA PRO 99 HA PRO 99 -0.796 -23.479 -4.442 739 HB2 PRO 99 1HB PRO 99 -2.342 -25.222 -5.838 740 HB3 PRO 99 2HB PRO 99 -2.472 -25.010 -4.087 741 HG2 PRO 99 1HG PRO 99 -4.168 -23.854 -6.267 742 HG3 PRO 99 2HG PRO 99 -4.665 -24.556 -4.716 743 HD2 PRO 99 1HD PRO 99 -4.510 -21.883 -5.123 744 HD3 PRO 99 2HD PRO 99 -4.180 -22.630 -3.545 745 H SER 100 H SER 100 -2.222 -21.529 -6.800 746 HA SER 100 HA SER 100 -0.805 -22.781 -9.025 747 HB2 SER 100 1HB SER 100 -3.148 -21.990 -9.335 748 HB3 SER 100 2HB SER 100 -2.597 -20.341 -9.038 749 HG SER 100 HG SER 100 -2.619 -20.657 -11.237 750 H SER 101 H SER 101 1.341 -22.346 -8.596 751 HA SER 101 HA SER 101 2.305 -19.773 -7.864 752 HB2 SER 101 1HB SER 101 4.501 -20.698 -8.115 753 HB3 SER 101 2HB SER 101 3.482 -21.972 -7.444 754 HG SER 101 HG SER 101 3.319 -22.857 -9.525 755 H GLY 102 H GLY 102 2.212 -21.561 -10.933 756 HA2 GLY 102 1HA GLY 102 2.901 -19.040 -12.311 757 HA3 GLY 102 2HA GLY 102 3.282 -20.638 -12.933 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -8.767 36.387 -2.648 2 HA2 GLY 1 1HA GLY 1 -9.965 33.753 -2.072 3 HA3 GLY 1 2HA GLY 1 -8.328 34.123 -1.552 4 H SER 2 H SER 2 -10.745 33.433 0.005 5 HA SER 2 HA SER 2 -11.318 35.891 1.459 6 HB2 SER 2 1HB SER 2 -13.035 34.033 0.843 7 HB3 SER 2 2HB SER 2 -12.358 33.179 2.230 8 HG SER 2 HG SER 2 -12.807 35.203 3.411 9 H SER 3 H SER 3 -10.762 36.274 3.578 10 HA SER 3 HA SER 3 -8.686 34.496 4.672 11 HB2 SER 3 1HB SER 3 -7.869 36.743 4.169 12 HB3 SER 3 2HB SER 3 -9.151 37.450 5.153 13 HG SER 3 HG SER 3 -8.110 35.935 6.837 14 H GLY 4 H GLY 4 -9.772 33.112 5.978 15 HA2 GLY 4 1HA GLY 4 -10.571 32.551 8.105 16 HA3 GLY 4 2HA GLY 4 -10.955 34.244 8.382 17 H SER 5 H SER 5 -12.009 31.328 6.687 18 HA SER 5 HA SER 5 -14.767 32.008 7.218 19 HB2 SER 5 1HB SER 5 -13.725 31.808 4.384 20 HB3 SER 5 2HB SER 5 -15.435 31.743 4.812 21 HG SER 5 HG SER 5 -15.434 33.829 5.146 22 H SER 6 H SER 6 -15.912 30.220 7.614 23 HA SER 6 HA SER 6 -14.654 27.638 7.028 24 HB2 SER 6 1HB SER 6 -15.355 28.312 9.398 25 HB3 SER 6 2HB SER 6 -17.016 28.087 8.851 26 HG SER 6 HG SER 6 -15.037 26.085 8.561 27 H GLY 7 H GLY 7 -15.284 26.888 5.095 28 HA2 GLY 7 1HA GLY 7 -17.825 25.871 4.639 29 HA3 GLY 7 2HA GLY 7 -17.794 27.464 3.899 30 H GLU 8 H GLU 8 -16.037 24.380 3.987 31 HA GLU 8 HA GLU 8 -15.297 24.839 1.171 32 HB2 GLU 8 1HB GLU 8 -13.320 24.813 2.573 33 HB3 GLU 8 2HB GLU 8 -13.818 23.295 3.307 34 HG2 GLU 8 1HG GLU 8 -12.207 22.643 1.786 35 HG3 GLU 8 2HG GLU 8 -13.715 22.346 0.923 36 HA PRO 9 HA PRO 9 -18.181 21.239 1.229 37 HB2 PRO 9 1HB PRO 9 -19.397 21.904 -1.105 38 HB3 PRO 9 2HB PRO 9 -19.889 22.568 0.458 39 HG2 PRO 9 1HG PRO 9 -18.160 23.789 -1.659 40 HG3 PRO 9 2HG PRO 9 -19.449 24.537 -0.698 41 HD2 PRO 9 1HD PRO 9 -16.825 24.865 -0.119 42 HD3 PRO 9 2HD PRO 9 -18.083 24.839 1.132 43 H GLU 10 H GLU 10 -18.636 19.706 -0.700 44 HA GLU 10 HA GLU 10 -16.487 19.583 -2.648 45 HB2 GLU 10 1HB GLU 10 -15.611 18.455 -0.593 46 HB3 GLU 10 2HB GLU 10 -16.927 17.296 -0.723 47 HG2 GLU 10 1HG GLU 10 -15.107 17.712 -3.046 48 HG3 GLU 10 2HG GLU 10 -14.570 16.738 -1.678 49 H LYS 11 H LYS 11 -17.625 19.361 -4.457 50 HA LYS 11 HA LYS 11 -19.604 17.195 -4.597 51 HB2 LYS 11 1HB LYS 11 -19.968 20.034 -5.554 52 HB3 LYS 11 2HB LYS 11 -20.976 18.702 -6.105 53 HG2 LYS 11 1HG LYS 11 -22.272 19.495 -4.415 54 HG3 LYS 11 2HG LYS 11 -21.299 18.327 -3.516 55 HD2 LYS 11 1HD LYS 11 -19.912 20.015 -2.627 56 HD3 LYS 11 2HD LYS 11 -20.501 21.215 -3.780 57 HE2 LYS 11 1HE LYS 11 -22.320 19.911 -1.776 58 HE3 LYS 11 2HE LYS 11 -21.370 21.342 -1.375 59 HZ1 LYS 11 1HZ LYS 11 -23.355 22.232 -2.086 60 HZ2 LYS 11 2HZ LYS 11 -23.588 21.069 -3.292 61 HZ3 LYS 11 3HZ LYS 11 -22.438 22.291 -3.506 62 H LEU 12 H LEU 12 -19.059 15.817 -6.143 63 HA LEU 12 HA LEU 12 -16.980 16.274 -7.983 64 HB2 LEU 12 1HB LEU 12 -17.604 14.151 -8.964 65 HB3 LEU 12 2HB LEU 12 -17.623 14.050 -7.205 66 HG LEU 12 HG LEU 12 -20.194 14.509 -7.532 67 HD11 LEU 12 1HD1 LEU 12 -21.007 13.361 -9.580 68 HD12 LEU 12 2HD1 LEU 12 -19.351 13.357 -10.184 69 HD13 LEU 12 3HD1 LEU 12 -20.179 14.886 -9.896 70 HD21 LEU 12 1HD2 LEU 12 -20.053 11.811 -8.215 71 HD22 LEU 12 2HD2 LEU 12 -20.096 12.498 -6.590 72 HD23 LEU 12 3HD2 LEU 12 -18.547 12.146 -7.360 73 H GLY 13 H GLY 13 -17.242 16.002 -10.395 74 HA2 GLY 13 1HA GLY 13 -18.765 16.273 -12.298 75 HA3 GLY 13 2HA GLY 13 -19.637 17.456 -11.334 76 H GLN 14 H GLN 14 -18.671 19.511 -10.950 77 HA GLN 14 HA GLN 14 -16.298 20.168 -12.516 78 HB2 GLN 14 1HB GLN 14 -18.997 21.463 -12.905 79 HB3 GLN 14 2HB GLN 14 -17.491 22.167 -13.480 80 HG2 GLN 14 1HG GLN 14 -17.145 19.968 -14.726 81 HG3 GLN 14 2HG GLN 14 -18.846 19.653 -14.384 82 HE21 GLN 14 1HE2 GLN 14 -16.956 22.480 -15.412 83 HE22 GLN 14 2HE2 GLN 14 -17.958 22.871 -16.763 84 H ALA 15 H ALA 15 -14.993 21.424 -11.368 85 HA ALA 15 HA ALA 15 -16.006 22.688 -8.946 86 HB1 ALA 15 1HB ALA 15 -13.198 23.106 -9.368 87 HB2 ALA 15 2HB ALA 15 -14.015 22.194 -8.099 88 HB3 ALA 15 3HB ALA 15 -13.606 21.409 -9.625 89 H LEU 16 H LEU 16 -16.631 24.736 -8.960 90 HA LEU 16 HA LEU 16 -15.820 26.497 -11.128 91 HB2 LEU 16 1HB LEU 16 -17.727 26.960 -8.839 92 HB3 LEU 16 2HB LEU 16 -17.480 28.041 -10.209 93 HG LEU 16 HG LEU 16 -18.213 25.916 -11.587 94 HD11 LEU 16 1HD1 LEU 16 -18.900 24.195 -10.371 95 HD12 LEU 16 2HD1 LEU 16 -20.201 25.201 -9.737 96 HD13 LEU 16 3HD1 LEU 16 -18.665 25.103 -8.879 97 HD21 LEU 16 1HD2 LEU 16 -19.340 28.107 -11.522 98 HD22 LEU 16 2HD2 LEU 16 -20.190 27.606 -10.059 99 HD23 LEU 16 3HD2 LEU 16 -20.478 26.761 -11.581 100 H THR 17 H THR 17 -13.720 25.814 -9.420 101 HA THR 17 HA THR 17 -13.166 28.417 -8.160 102 HB THR 17 HB THR 17 -11.776 27.225 -6.469 103 HG1 THR 17 1HG THR 17 -11.889 25.211 -7.954 104 HG21 THR 17 1HG2 THR 17 -14.558 26.131 -6.281 105 HG22 THR 17 2HG2 THR 17 -14.286 27.873 -6.233 106 HG23 THR 17 3HG2 THR 17 -13.544 26.832 -5.021 107 H GLU 18 H GLU 18 -10.866 28.946 -8.008 108 HA GLU 18 HA GLU 18 -9.292 27.658 -10.140 109 HB2 GLU 18 1HB GLU 18 -8.277 29.834 -10.608 110 HB3 GLU 18 2HB GLU 18 -10.022 29.896 -10.807 111 HG2 GLU 18 1HG GLU 18 -10.242 30.953 -8.621 112 HG3 GLU 18 2HG GLU 18 -8.494 30.883 -8.410 113 H VAL 19 H VAL 19 -9.161 26.708 -7.557 114 HA VAL 19 HA VAL 19 -6.553 27.716 -6.618 115 HB VAL 19 HB VAL 19 -7.280 26.516 -4.427 116 HG11 VAL 19 1HG1 VAL 19 -8.369 29.152 -5.387 117 HG12 VAL 19 2HG1 VAL 19 -8.502 28.608 -3.713 118 HG13 VAL 19 3HG1 VAL 19 -6.913 28.855 -4.438 119 HG21 VAL 19 1HG2 VAL 19 -9.429 25.922 -4.126 120 HG22 VAL 19 2HG2 VAL 19 -10.046 27.280 -5.068 121 HG23 VAL 19 3HG2 VAL 19 -9.458 25.833 -5.888 122 H TYR 20 H TYR 20 -5.034 26.170 -5.850 123 HA TYR 20 HA TYR 20 -5.256 23.607 -7.231 124 HB2 TYR 20 1HB TYR 20 -2.766 23.526 -6.295 125 HB3 TYR 20 2HB TYR 20 -3.179 24.416 -7.755 126 HD1 TYR 20 1HD TYR 20 -3.521 25.207 -4.115 127 HD2 TYR 20 2HD TYR 20 -1.899 26.332 -7.885 128 HE1 TYR 20 1HE TYR 20 -2.623 27.262 -3.108 129 HE2 TYR 20 2HE TYR 20 -0.995 28.390 -6.887 130 HH TYR 20 HH TYR 20 -0.364 28.936 -4.049 131 H ALA 21 H ALA 21 -5.779 24.862 -4.174 132 HA ALA 21 HA ALA 21 -5.722 23.974 -2.036 133 HB1 ALA 21 1HB ALA 21 -6.985 21.518 -2.557 134 HB2 ALA 21 2HB ALA 21 -7.735 23.043 -2.086 135 HB3 ALA 21 3HB ALA 21 -7.549 22.642 -3.793 136 H LYS 22 H LYS 22 -3.283 23.394 -3.432 137 HA LYS 22 HA LYS 22 -2.659 20.691 -2.449 138 HB2 LYS 22 1HB LYS 22 -0.886 20.585 -4.017 139 HB3 LYS 22 2HB LYS 22 -2.263 21.245 -4.891 140 HG2 LYS 22 1HG LYS 22 -1.358 23.466 -4.748 141 HG3 LYS 22 2HG LYS 22 -0.040 22.903 -3.717 142 HD2 LYS 22 1HD LYS 22 0.742 21.462 -5.570 143 HD3 LYS 22 2HD LYS 22 -0.531 22.130 -6.594 144 HE2 LYS 22 1HE LYS 22 1.304 23.418 -7.170 145 HE3 LYS 22 2HE LYS 22 0.500 24.419 -5.961 146 HZ1 LYS 22 1HZ LYS 22 2.659 22.543 -5.220 147 HZ2 LYS 22 2HZ LYS 22 2.082 23.878 -4.358 148 HZ3 LYS 22 3HZ LYS 22 3.001 24.109 -5.759 149 H ALA 23 H ALA 23 -1.026 20.368 -0.997 150 HA ALA 23 HA ALA 23 0.771 22.499 -0.254 151 HB1 ALA 23 1HB ALA 23 -1.352 22.994 0.989 152 HB2 ALA 23 2HB ALA 23 -1.117 21.477 1.857 153 HB3 ALA 23 3HB ALA 23 0.073 22.769 2.003 154 H ASN 24 H ASN 24 2.422 21.806 1.239 155 HA ASN 24 HA ASN 24 2.608 18.884 1.538 156 HB2 ASN 24 1HB ASN 24 4.656 20.808 0.465 157 HB3 ASN 24 2HB ASN 24 5.145 19.281 1.193 158 HD21 ASN 24 1HD2 ASN 24 3.584 17.423 0.345 159 HD22 ASN 24 2HD2 ASN 24 3.497 17.337 -1.378 160 H SER 25 H SER 25 1.655 20.531 3.540 161 HA SER 25 HA SER 25 3.768 21.285 5.334 162 HB2 SER 25 1HB SER 25 1.856 21.622 6.955 163 HB3 SER 25 2HB SER 25 1.738 22.550 5.461 164 HG SER 25 HG SER 25 -0.241 21.584 5.881 165 H PHE 26 H PHE 26 1.135 18.894 5.640 166 HA PHE 26 HA PHE 26 2.831 16.791 6.462 167 HB2 PHE 26 1HB PHE 26 2.909 18.345 8.479 168 HB3 PHE 26 2HB PHE 26 1.211 17.953 8.726 169 HD1 PHE 26 2HD PHE 26 4.110 15.831 7.739 170 HD2 PHE 26 1HD PHE 26 1.068 16.633 10.607 171 HE1 PHE 26 2HE PHE 26 4.763 13.816 8.991 172 HE2 PHE 26 1HE PHE 26 1.717 14.619 11.863 173 HZ PHE 26 HZ PHE 26 3.566 13.207 11.055 174 H THR 27 H THR 27 1.783 15.061 5.770 175 HA THR 27 HA THR 27 -1.127 14.902 6.182 176 HB THR 27 HB THR 27 0.399 14.355 3.645 177 HG1 THR 27 1HG THR 27 -1.202 15.713 2.798 178 HG21 THR 27 1HG2 THR 27 -2.274 13.247 4.488 179 HG22 THR 27 2HG2 THR 27 -0.863 12.360 3.911 180 HG23 THR 27 3HG2 THR 27 -1.779 13.380 2.801 181 H VAL 28 H VAL 28 -1.815 13.043 7.050 182 HA VAL 28 HA VAL 28 0.018 10.735 7.034 183 HB VAL 28 HB VAL 28 -1.713 11.650 9.336 184 HG11 VAL 28 1HG1 VAL 28 -1.118 9.744 10.513 185 HG12 VAL 28 2HG1 VAL 28 -1.394 9.118 8.886 186 HG13 VAL 28 3HG1 VAL 28 0.252 9.397 9.457 187 HG21 VAL 28 1HG2 VAL 28 0.181 13.034 9.309 188 HG22 VAL 28 2HG2 VAL 28 0.573 11.766 10.468 189 HG23 VAL 28 3HG2 VAL 28 1.249 11.712 8.840 190 H SER 29 H SER 29 -0.872 9.173 5.864 191 HA SER 29 HA SER 29 -3.742 8.624 6.212 192 HB2 SER 29 1HB SER 29 -2.917 9.731 3.954 193 HB3 SER 29 2HB SER 29 -2.448 8.075 3.573 194 HG SER 29 HG SER 29 -4.882 9.183 3.508 195 H SER 30 H SER 30 -4.360 6.398 5.688 196 HA SER 30 HA SER 30 -2.152 4.518 6.214 197 HB2 SER 30 1HB SER 30 -3.489 4.380 8.126 198 HB3 SER 30 2HB SER 30 -4.984 4.596 7.215 199 HG SER 30 HG SER 30 -3.322 2.318 6.944 200 H VAL 31 H VAL 31 -2.336 2.394 5.280 201 HA VAL 31 HA VAL 31 -3.975 2.354 2.829 202 HB VAL 31 HB VAL 31 -1.190 1.270 3.256 203 HG11 VAL 31 1HG1 VAL 31 -2.025 1.026 0.555 204 HG12 VAL 31 2HG1 VAL 31 -1.557 -0.250 1.681 205 HG13 VAL 31 3HG1 VAL 31 -3.242 0.259 1.574 206 HG21 VAL 31 1HG2 VAL 31 -1.898 3.772 2.568 207 HG22 VAL 31 2HG2 VAL 31 -0.425 2.986 2.000 208 HG23 VAL 31 3HG2 VAL 31 -1.860 3.017 0.974 209 H ALA 32 H ALA 32 -5.469 0.820 2.826 210 HA ALA 32 HA ALA 32 -5.766 -1.123 4.809 211 HB1 ALA 32 1HB ALA 32 -7.494 -2.088 3.380 212 HB2 ALA 32 2HB ALA 32 -7.619 -0.329 3.433 213 HB3 ALA 32 3HB ALA 32 -6.918 -1.121 2.022 214 H ALA 33 H ALA 33 -4.199 -2.584 5.180 215 HA ALA 33 HA ALA 33 -3.568 -4.453 3.015 216 HB1 ALA 33 1HB ALA 33 -1.560 -3.475 2.794 217 HB2 ALA 33 2HB ALA 33 -1.674 -2.658 4.354 218 HB3 ALA 33 3HB ALA 33 -1.165 -4.344 4.278 219 HA PRO 34 HA PRO 34 -4.354 -7.458 6.137 220 HB2 PRO 34 1HB PRO 34 -3.086 -9.579 5.013 221 HB3 PRO 34 2HB PRO 34 -4.628 -8.954 4.414 222 HG2 PRO 34 1HG PRO 34 -1.858 -8.472 3.384 223 HG3 PRO 34 2HG PRO 34 -3.348 -8.801 2.479 224 HD2 PRO 34 1HD PRO 34 -2.335 -6.305 2.762 225 HD3 PRO 34 2HD PRO 34 -4.078 -6.620 2.645 226 H SER 35 H SER 35 -3.104 -9.205 7.388 227 HA SER 35 HA SER 35 -0.411 -8.190 8.031 228 HB2 SER 35 1HB SER 35 -2.122 -7.706 9.788 229 HB3 SER 35 2HB SER 35 -2.371 -9.443 9.968 230 HG SER 35 HG SER 35 -0.170 -9.616 10.565 231 H TRP 36 H TRP 36 -2.386 -10.905 7.283 232 HA TRP 36 HA TRP 36 -0.802 -12.993 8.287 233 HB2 TRP 36 1HB TRP 36 -1.929 -14.381 6.532 234 HB3 TRP 36 2HB TRP 36 -3.039 -13.447 7.529 235 HD1 TRP 36 HD TRP 36 -4.312 -11.390 6.353 236 HE1 TRP 36 1HE TRP 36 -4.804 -10.881 3.879 237 HE3 TRP 36 3HE TRP 36 -0.983 -14.607 4.185 238 HZ2 TRP 36 2HZ TRP 36 -3.903 -11.733 1.343 239 HZ3 TRP 36 3HZ TRP 36 -0.861 -14.699 1.729 240 HH2 TRP 36 HH TRP 36 -2.291 -13.292 0.340 241 H LEU 37 H LEU 37 -0.290 -10.834 5.679 242 HA LEU 37 HA LEU 37 1.869 -12.540 4.632 243 HB2 LEU 37 1HB LEU 37 1.741 -11.051 2.617 244 HB3 LEU 37 2HB LEU 37 0.341 -12.085 2.892 245 HG LEU 37 HG LEU 37 -0.739 -10.033 3.971 246 HD11 LEU 37 1HD1 LEU 37 1.617 -8.762 2.600 247 HD12 LEU 37 2HD1 LEU 37 1.132 -8.614 4.288 248 HD13 LEU 37 3HD1 LEU 37 0.148 -7.881 3.021 249 HD21 LEU 37 1HD2 LEU 37 -0.771 -9.055 1.391 250 HD22 LEU 37 2HD2 LEU 37 -1.837 -10.297 2.049 251 HD23 LEU 37 3HD2 LEU 37 -0.372 -10.761 1.183 252 H HIS 38 H HIS 38 1.747 -10.540 6.945 253 HA HIS 38 HA HIS 38 3.311 -8.296 6.275 254 HB2 HIS 38 1HB HIS 38 2.542 -9.681 8.794 255 HB3 HIS 38 2HB HIS 38 3.916 -8.582 8.865 256 HD2 HIS 38 2HD HIS 38 1.677 -6.956 6.422 257 HE1 HIS 38 1HE HIS 38 0.283 -5.603 10.194 258 HE2 HIS 38 2HE HIS 38 0.145 -5.307 7.696 259 H ARG 39 H ARG 39 4.114 -11.599 6.666 260 HA ARG 39 HA ARG 39 6.872 -11.205 7.357 261 HB2 ARG 39 1HB ARG 39 6.172 -13.282 8.059 262 HB3 ARG 39 2HB ARG 39 5.151 -13.532 6.648 263 HG2 ARG 39 1HG ARG 39 6.963 -15.072 6.536 264 HG3 ARG 39 2HG ARG 39 7.215 -13.845 5.293 265 HD2 ARG 39 1HD ARG 39 8.650 -12.657 7.076 266 HD3 ARG 39 2HD ARG 39 8.646 -14.215 7.901 267 HE ARG 39 HE ARG 39 10.193 -13.503 5.635 268 HH11 ARG 39 1HH1 ARG 39 8.437 -16.157 7.048 269 HH12 ARG 39 2HH1 ARG 39 9.401 -17.374 6.279 270 HH21 ARG 39 1HH2 ARG 39 11.469 -15.096 4.618 271 HH22 ARG 39 2HH2 ARG 39 11.125 -16.771 4.898 272 H PHE 40 H PHE 40 5.039 -11.720 4.400 273 HA PHE 40 HA PHE 40 7.429 -11.897 2.775 274 HB2 PHE 40 1HB PHE 40 4.494 -12.117 2.290 275 HB3 PHE 40 2HB PHE 40 5.529 -11.693 0.929 276 HD1 PHE 40 2HD PHE 40 7.341 -13.251 0.237 277 HD2 PHE 40 1HD PHE 40 4.403 -14.318 3.126 278 HE1 PHE 40 2HE PHE 40 7.896 -15.628 -0.081 279 HE2 PHE 40 1HE PHE 40 4.953 -16.696 2.814 280 HZ PHE 40 HZ PHE 40 6.701 -17.354 1.207 281 H ILE 41 H ILE 41 4.977 -9.526 3.590 282 HA ILE 41 HA ILE 41 5.586 -7.616 1.615 283 HB ILE 41 HB ILE 41 3.593 -7.717 3.290 284 HG12 ILE 41 1HG1 ILE 41 4.777 -4.994 2.771 285 HG13 ILE 41 2HG1 ILE 41 4.124 -5.990 1.475 286 HG21 ILE 41 1HG2 ILE 41 5.482 -5.942 4.827 287 HG22 ILE 41 2HG2 ILE 41 3.809 -6.314 5.237 288 HG23 ILE 41 3HG2 ILE 41 5.035 -7.581 5.296 289 HD11 ILE 41 1HD1 ILE 41 2.747 -4.441 3.542 290 HD12 ILE 41 2HD1 ILE 41 2.231 -4.887 1.916 291 HD13 ILE 41 3HD1 ILE 41 2.077 -6.043 3.239 292 H ILE 42 H ILE 42 6.918 -8.207 4.825 293 HA ILE 42 HA ILE 42 8.604 -5.871 4.755 294 HB ILE 42 HB ILE 42 8.655 -8.232 6.638 295 HG12 ILE 42 1HG1 ILE 42 7.548 -5.478 7.173 296 HG13 ILE 42 2HG1 ILE 42 6.549 -6.784 6.544 297 HG21 ILE 42 1HG2 ILE 42 9.788 -5.538 7.254 298 HG22 ILE 42 2HG2 ILE 42 10.179 -7.107 7.956 299 HG23 ILE 42 3HG2 ILE 42 10.738 -6.704 6.333 300 HD11 ILE 42 1HD1 ILE 42 7.194 -8.127 8.544 301 HD12 ILE 42 2HD1 ILE 42 7.976 -6.682 9.185 302 HD13 ILE 42 3HD1 ILE 42 6.236 -6.688 8.893 303 H GLY 43 H GLY 43 9.100 -9.386 4.505 304 HA2 GLY 43 1HA GLY 43 10.652 -10.421 3.066 305 HA3 GLY 43 2HA GLY 43 11.482 -8.881 2.891 306 H LYS 44 H LYS 44 13.175 -10.788 3.209 307 HA LYS 44 HA LYS 44 13.675 -11.578 5.907 308 HB2 LYS 44 1HB LYS 44 15.143 -11.800 3.312 309 HB3 LYS 44 2HB LYS 44 16.021 -12.087 4.808 310 HG2 LYS 44 1HG LYS 44 15.341 -14.206 4.254 311 HG3 LYS 44 2HG LYS 44 14.046 -13.696 5.341 312 HD2 LYS 44 1HD LYS 44 12.968 -14.684 3.492 313 HD3 LYS 44 2HD LYS 44 12.799 -12.943 3.259 314 HE2 LYS 44 1HE LYS 44 15.012 -13.216 1.891 315 HE3 LYS 44 2HE LYS 44 14.507 -14.902 1.790 316 HZ1 LYS 44 1HZ LYS 44 13.107 -12.510 0.761 317 HZ2 LYS 44 2HZ LYS 44 12.307 -13.985 0.974 318 HZ3 LYS 44 3HZ LYS 44 13.616 -13.879 -0.094 319 H LYS 45 H LYS 45 14.686 -10.501 7.469 320 HA LYS 45 HA LYS 45 15.672 -8.761 8.572 321 HB2 LYS 45 1HB LYS 45 17.582 -9.195 6.274 322 HB3 LYS 45 2HB LYS 45 17.936 -8.136 7.634 323 HG2 LYS 45 1HG LYS 45 17.249 -11.043 7.968 324 HG3 LYS 45 2HG LYS 45 18.900 -10.459 7.748 325 HD2 LYS 45 1HD LYS 45 18.710 -9.094 9.748 326 HD3 LYS 45 2HD LYS 45 17.026 -9.585 9.946 327 HE2 LYS 45 1HE LYS 45 19.299 -11.555 9.898 328 HE3 LYS 45 2HE LYS 45 18.742 -10.785 11.383 329 HZ1 LYS 45 1HZ LYS 45 17.304 -12.461 11.496 330 HZ2 LYS 45 2HZ LYS 45 17.572 -12.937 9.896 331 HZ3 LYS 45 3HZ LYS 45 16.457 -11.711 10.238 332 H GLY 46 H GLY 46 13.577 -7.900 6.950 333 HA2 GLY 46 1HA GLY 46 12.697 -6.025 5.954 334 HA3 GLY 46 2HA GLY 46 13.895 -5.161 6.907 335 H GLN 47 H GLN 47 13.210 -6.623 3.796 336 HA GLN 47 HA GLN 47 15.528 -5.196 2.670 337 HB2 GLN 47 1HB GLN 47 15.594 -7.654 2.398 338 HB3 GLN 47 2HB GLN 47 14.064 -7.586 1.534 339 HG2 GLN 47 1HG GLN 47 16.008 -7.789 0.044 340 HG3 GLN 47 2HG GLN 47 15.063 -6.330 -0.250 341 HE21 GLN 47 1HE2 GLN 47 16.753 -5.240 -1.208 342 HE22 GLN 47 2HE2 GLN 47 18.118 -4.664 -0.319 343 H ASN 48 H ASN 48 12.242 -6.264 1.780 344 HA ASN 48 HA ASN 48 11.911 -4.590 -0.420 345 HB2 ASN 48 1HB ASN 48 9.842 -5.655 1.513 346 HB3 ASN 48 2HB ASN 48 9.461 -4.893 -0.028 347 HD21 ASN 48 1HD2 ASN 48 10.283 -7.759 1.555 348 HD22 ASN 48 2HD2 ASN 48 10.482 -8.761 0.161 349 H LEU 49 H LEU 49 11.180 -4.017 2.998 350 HA LEU 49 HA LEU 49 10.008 -1.469 2.638 351 HB2 LEU 49 1HB LEU 49 11.169 -2.951 4.954 352 HB3 LEU 49 2HB LEU 49 10.771 -1.244 5.127 353 HG LEU 49 HG LEU 49 8.819 -3.414 4.362 354 HD11 LEU 49 1HD1 LEU 49 8.148 -2.220 6.814 355 HD12 LEU 49 2HD1 LEU 49 9.861 -2.627 6.908 356 HD13 LEU 49 3HD1 LEU 49 8.678 -3.877 6.524 357 HD21 LEU 49 1HD2 LEU 49 8.619 -0.452 4.680 358 HD22 LEU 49 2HD2 LEU 49 7.235 -1.469 5.081 359 HD23 LEU 49 3HD2 LEU 49 7.913 -1.502 3.452 360 H ALA 50 H ALA 50 13.286 -2.443 3.624 361 HA ALA 50 HA ALA 50 14.468 -0.022 4.042 362 HB1 ALA 50 1HB ALA 50 16.333 -1.231 4.148 363 HB2 ALA 50 2HB ALA 50 15.358 -2.625 3.679 364 HB3 ALA 50 3HB ALA 50 16.214 -1.692 2.450 365 H LYS 51 H LYS 51 14.003 -1.612 0.899 366 HA LYS 51 HA LYS 51 15.289 0.277 -0.698 367 HB2 LYS 51 1HB LYS 51 14.169 -2.070 -1.229 368 HB3 LYS 51 2HB LYS 51 12.820 -1.052 -1.718 369 HG2 LYS 51 1HG LYS 51 14.019 -1.397 -3.680 370 HG3 LYS 51 2HG LYS 51 14.522 0.209 -3.148 371 HD2 LYS 51 1HD LYS 51 16.581 -0.641 -2.290 372 HD3 LYS 51 2HD LYS 51 16.054 -2.310 -2.519 373 HE2 LYS 51 1HE LYS 51 17.477 -1.922 -4.325 374 HE3 LYS 51 2HE LYS 51 15.867 -1.700 -5.004 375 HZ1 LYS 51 1HZ LYS 51 16.117 0.658 -4.866 376 HZ2 LYS 51 2HZ LYS 51 17.472 0.035 -5.664 377 HZ3 LYS 51 3HZ LYS 51 17.591 0.518 -4.047 378 H ILE 52 H ILE 52 11.764 -0.029 -0.215 379 HA ILE 52 HA ILE 52 10.973 2.297 -1.448 380 HB ILE 52 HB ILE 52 9.756 1.096 1.042 381 HG12 ILE 52 1HG1 ILE 52 8.969 0.666 -1.843 382 HG13 ILE 52 2HG1 ILE 52 10.023 -0.429 -0.954 383 HG21 ILE 52 1HG2 ILE 52 9.167 3.522 0.073 384 HG22 ILE 52 2HG2 ILE 52 8.107 2.540 -0.937 385 HG23 ILE 52 3HG2 ILE 52 7.969 2.464 0.820 386 HD11 ILE 52 1HD1 ILE 52 8.302 -1.421 0.028 387 HD12 ILE 52 2HD1 ILE 52 7.570 0.119 0.479 388 HD13 ILE 52 3HD1 ILE 52 7.277 -0.562 -1.121 389 H THR 53 H THR 53 11.541 1.930 2.058 390 HA THR 53 HA THR 53 11.247 4.589 2.776 391 HB THR 53 HB THR 53 12.789 4.044 4.705 392 HG1 THR 53 1HG THR 53 13.435 1.851 4.862 393 HG21 THR 53 1HG2 THR 53 10.948 3.307 5.725 394 HG22 THR 53 2HG2 THR 53 11.019 1.775 4.853 395 HG23 THR 53 3HG2 THR 53 10.192 3.159 4.139 396 H GLN 54 H GLN 54 14.096 2.907 1.546 397 HA GLN 54 HA GLN 54 15.961 4.968 1.965 398 HB2 GLN 54 1HB GLN 54 16.579 2.639 1.428 399 HB3 GLN 54 2HB GLN 54 15.952 2.857 -0.200 400 HG2 GLN 54 1HG GLN 54 18.151 3.227 -0.598 401 HG3 GLN 54 2HG GLN 54 17.652 4.873 -0.208 402 HE21 GLN 54 1HE2 GLN 54 18.677 1.939 1.514 403 HE22 GLN 54 2HE2 GLN 54 19.764 2.745 2.588 404 H GLN 55 H GLN 55 13.827 4.246 -0.760 405 HA GLN 55 HA GLN 55 14.836 6.394 -2.372 406 HB2 GLN 55 1HB GLN 55 13.893 4.424 -3.437 407 HB3 GLN 55 2HB GLN 55 12.350 4.695 -2.637 408 HG2 GLN 55 1HG GLN 55 12.072 5.448 -4.840 409 HG3 GLN 55 2HG GLN 55 12.247 6.901 -3.857 410 HE21 GLN 55 1HE2 GLN 55 13.896 4.740 -6.073 411 HE22 GLN 55 2HE2 GLN 55 15.080 5.880 -6.603 412 H MET 56 H MET 56 12.276 5.979 -0.043 413 HA MET 56 HA MET 56 11.598 8.823 -0.363 414 HB2 MET 56 1HB MET 56 9.667 6.553 0.137 415 HB3 MET 56 2HB MET 56 9.246 8.258 0.212 416 HG2 MET 56 1HG MET 56 8.556 7.724 -1.899 417 HG3 MET 56 2HG MET 56 10.188 8.310 -2.213 418 HE1 MET 56 1HE MET 56 8.254 4.772 -3.600 419 HE2 MET 56 2HE MET 56 8.343 4.397 -1.879 420 HE3 MET 56 3HE MET 56 7.642 5.925 -2.413 421 HA PRO 57 HA PRO 57 12.911 7.995 3.980 422 HB2 PRO 57 1HB PRO 57 14.251 10.341 4.249 423 HB3 PRO 57 2HB PRO 57 14.982 8.892 3.549 424 HG2 PRO 57 1HG PRO 57 13.808 11.276 2.171 425 HG3 PRO 57 2HG PRO 57 15.299 10.391 1.800 426 HD2 PRO 57 1HD PRO 57 13.003 10.018 0.416 427 HD3 PRO 57 2HD PRO 57 14.177 8.714 0.686 428 H LYS 58 H LYS 58 11.475 10.810 2.428 429 HA LYS 58 HA LYS 58 10.648 12.199 4.714 430 HB2 LYS 58 1HB LYS 58 9.563 12.078 1.907 431 HB3 LYS 58 2HB LYS 58 8.838 13.104 3.138 432 HG2 LYS 58 1HG LYS 58 10.974 14.267 3.420 433 HG3 LYS 58 2HG LYS 58 11.687 13.248 2.169 434 HD2 LYS 58 1HD LYS 58 9.194 14.729 1.510 435 HD3 LYS 58 2HD LYS 58 10.697 15.649 1.629 436 HE2 LYS 58 1HE LYS 58 10.725 13.131 0.051 437 HE3 LYS 58 2HE LYS 58 9.902 14.528 -0.642 438 HZ1 LYS 58 1HZ LYS 58 12.750 14.191 0.007 439 HZ2 LYS 58 2HZ LYS 58 12.079 15.743 -0.010 440 HZ3 LYS 58 3HZ LYS 58 12.038 14.788 -1.406 441 H VAL 59 H VAL 59 9.070 9.632 2.861 442 HA VAL 59 HA VAL 59 6.683 9.675 4.456 443 HB VAL 59 HB VAL 59 7.692 7.622 2.483 444 HG11 VAL 59 1HG1 VAL 59 6.179 6.568 4.040 445 HG12 VAL 59 2HG1 VAL 59 5.008 7.872 3.836 446 HG13 VAL 59 3HG1 VAL 59 5.365 6.787 2.492 447 HG21 VAL 59 1HG2 VAL 59 5.527 9.695 2.162 448 HG22 VAL 59 2HG2 VAL 59 7.180 9.888 1.578 449 HG23 VAL 59 3HG2 VAL 59 6.158 8.608 0.924 450 H HIS 60 H HIS 60 6.047 8.241 6.041 451 HA HIS 60 HA HIS 60 8.174 6.520 7.136 452 HB2 HIS 60 1HB HIS 60 7.288 8.648 8.428 453 HB3 HIS 60 2HB HIS 60 5.974 7.563 8.869 454 HD1 HIS 60 1HD HIS 60 8.075 5.055 8.990 455 HD2 HIS 60 2HD HIS 60 8.213 8.637 11.089 456 HE1 HIS 60 1HE HIS 60 9.460 4.582 11.035 457 H ILE 61 H ILE 61 7.707 4.477 6.647 458 HA ILE 61 HA ILE 61 4.936 3.598 6.479 459 HB ILE 61 HB ILE 61 7.484 2.070 5.936 460 HG12 ILE 61 1HG1 ILE 61 5.533 3.008 3.856 461 HG13 ILE 61 2HG1 ILE 61 6.782 4.097 4.450 462 HG21 ILE 61 1HG2 ILE 61 4.967 1.159 4.745 463 HG22 ILE 61 2HG2 ILE 61 6.269 0.237 5.493 464 HG23 ILE 61 3HG2 ILE 61 5.045 1.010 6.500 465 HD11 ILE 61 1HD1 ILE 61 7.944 3.237 2.736 466 HD12 ILE 61 2HD1 ILE 61 8.274 1.938 3.883 467 HD13 ILE 61 3HD1 ILE 61 6.989 1.755 2.689 468 H GLU 62 H GLU 62 3.909 2.514 8.029 469 HA GLU 62 HA GLU 62 5.511 1.288 10.176 470 HB2 GLU 62 1HB GLU 62 4.464 3.358 10.972 471 HB3 GLU 62 2HB GLU 62 2.888 2.763 10.469 472 HG2 GLU 62 1HG GLU 62 2.939 2.387 12.761 473 HG3 GLU 62 2HG GLU 62 3.308 0.815 12.057 474 H PHE 63 H PHE 63 4.612 -0.566 11.185 475 HA PHE 63 HA PHE 63 2.438 -1.853 9.672 476 HB2 PHE 63 1HB PHE 63 5.156 -2.861 10.340 477 HB3 PHE 63 2HB PHE 63 3.825 -4.011 10.428 478 HD1 PHE 63 2HD PHE 63 2.163 -3.765 8.297 479 HD2 PHE 63 1HD PHE 63 6.316 -2.831 8.374 480 HE1 PHE 63 2HE PHE 63 2.277 -4.083 5.860 481 HE2 PHE 63 1HE PHE 63 6.436 -3.148 5.937 482 HZ PHE 63 HZ PHE 63 4.415 -3.775 4.677 483 H THR 64 H THR 64 0.752 -1.992 10.992 484 HA THR 64 HA THR 64 1.059 -2.118 13.853 485 HB THR 64 HB THR 64 -0.795 -0.855 12.767 486 HG1 THR 64 1HG THR 64 -1.509 -1.195 14.734 487 HG21 THR 64 1HG2 THR 64 -2.481 -1.840 11.568 488 HG22 THR 64 2HG2 THR 64 -2.289 -3.399 12.371 489 HG23 THR 64 3HG2 THR 64 -1.145 -2.902 11.125 490 H GLU 65 H GLU 65 -0.765 -3.749 14.846 491 HA GLU 65 HA GLU 65 0.096 -6.415 13.944 492 HB2 GLU 65 1HB GLU 65 -0.611 -5.321 16.651 493 HB3 GLU 65 2HB GLU 65 -0.685 -7.049 16.335 494 HG2 GLU 65 1HG GLU 65 1.738 -5.281 16.095 495 HG3 GLU 65 2HG GLU 65 1.426 -6.485 17.344 496 H GLY 66 H GLY 66 -2.677 -4.962 15.668 497 HA2 GLY 66 1HA GLY 66 -4.430 -6.978 14.491 498 HA3 GLY 66 2HA GLY 66 -4.856 -5.845 15.765 499 H GLU 67 H GLU 67 -4.082 -3.450 14.552 500 HA GLU 67 HA GLU 67 -6.323 -2.660 13.203 501 HB2 GLU 67 1HB GLU 67 -3.524 -1.628 13.275 502 HB3 GLU 67 2HB GLU 67 -4.644 -0.927 12.115 503 HG2 GLU 67 1HG GLU 67 -4.789 -0.906 15.105 504 HG3 GLU 67 2HG GLU 67 -4.773 0.457 13.987 505 H ASP 68 H ASP 68 -3.742 -4.568 12.002 506 HA ASP 68 HA ASP 68 -3.172 -5.325 9.916 507 HB2 ASP 68 1HB ASP 68 -6.146 -5.496 10.111 508 HB3 ASP 68 2HB ASP 68 -5.387 -5.873 8.566 509 H LYS 69 H LYS 69 -2.636 -2.768 9.823 510 HA LYS 69 HA LYS 69 -3.264 -2.033 7.105 511 HB2 LYS 69 1HB LYS 69 -4.456 -0.102 7.456 512 HB3 LYS 69 2HB LYS 69 -5.063 -1.081 8.785 513 HG2 LYS 69 1HG LYS 69 -3.303 0.002 10.229 514 HG3 LYS 69 2HG LYS 69 -3.024 1.122 8.894 515 HD2 LYS 69 1HD LYS 69 -5.082 2.128 9.132 516 HD3 LYS 69 2HD LYS 69 -5.809 0.705 9.882 517 HE2 LYS 69 1HE LYS 69 -4.493 1.122 11.913 518 HE3 LYS 69 2HE LYS 69 -3.793 2.554 11.159 519 HZ1 LYS 69 1HZ LYS 69 -6.427 3.002 10.883 520 HZ2 LYS 69 2HZ LYS 69 -5.483 3.603 12.152 521 HZ3 LYS 69 3HZ LYS 69 -6.389 2.190 12.366 522 H ILE 70 H ILE 70 -2.079 0.021 6.489 523 HA ILE 70 HA ILE 70 0.465 0.155 7.971 524 HB ILE 70 HB ILE 70 -0.028 0.529 5.016 525 HG12 ILE 70 1HG1 ILE 70 1.749 -1.497 6.366 526 HG13 ILE 70 2HG1 ILE 70 0.053 -1.823 6.025 527 HG21 ILE 70 1HG2 ILE 70 1.910 1.602 4.826 528 HG22 ILE 70 2HG2 ILE 70 1.918 1.755 6.582 529 HG23 ILE 70 3HG2 ILE 70 2.743 0.400 5.812 530 HD11 ILE 70 1HD1 ILE 70 1.552 -2.736 4.320 531 HD12 ILE 70 2HD1 ILE 70 0.444 -1.533 3.660 532 HD13 ILE 70 3HD1 ILE 70 2.127 -1.107 3.968 533 H THR 71 H THR 71 0.813 2.015 8.968 534 HA THR 71 HA THR 71 -0.713 4.378 8.215 535 HB THR 71 HB THR 71 1.146 3.900 10.550 536 HG1 THR 71 1HG THR 71 -1.640 4.300 10.720 537 HG21 THR 71 1HG2 THR 71 -0.090 6.000 11.403 538 HG22 THR 71 2HG2 THR 71 -0.461 6.288 9.703 539 HG23 THR 71 3HG2 THR 71 1.218 6.213 10.240 540 H LEU 72 H LEU 72 0.081 5.967 7.008 541 HA LEU 72 HA LEU 72 2.990 6.066 6.567 542 HB2 LEU 72 1HB LEU 72 0.660 6.874 4.852 543 HB3 LEU 72 2HB LEU 72 2.302 7.420 4.518 544 HG LEU 72 HG LEU 72 1.775 5.555 3.095 545 HD11 LEU 72 1HD1 LEU 72 3.984 5.709 4.742 546 HD12 LEU 72 2HD1 LEU 72 3.821 4.704 3.304 547 HD13 LEU 72 3HD1 LEU 72 3.465 4.030 4.894 548 HD21 LEU 72 1HD2 LEU 72 0.804 3.601 3.744 549 HD22 LEU 72 2HD2 LEU 72 0.107 4.674 4.959 550 HD23 LEU 72 3HD2 LEU 72 1.496 3.664 5.366 551 H GLU 73 H GLU 73 4.007 8.143 6.387 552 HA GLU 73 HA GLU 73 2.530 10.446 7.383 553 HB2 GLU 73 1HB GLU 73 3.299 9.454 9.443 554 HB3 GLU 73 2HB GLU 73 4.925 9.275 8.802 555 HG2 GLU 73 1HG GLU 73 5.046 11.766 8.638 556 HG3 GLU 73 2HG GLU 73 3.508 11.833 9.497 557 H GLY 74 H GLY 74 3.045 12.130 6.160 558 HA2 GLY 74 1HA GLY 74 5.428 13.289 5.683 559 HA3 GLY 74 2HA GLY 74 5.389 12.027 4.461 560 HA PRO 75 HA PRO 75 3.370 15.882 2.785 561 HB2 PRO 75 1HB PRO 75 4.859 15.988 0.518 562 HB3 PRO 75 2HB PRO 75 5.361 16.745 2.034 563 HG2 PRO 75 1HG PRO 75 6.203 14.126 0.857 564 HG3 PRO 75 2HG PRO 75 7.194 15.368 1.644 565 HD2 PRO 75 1HD PRO 75 6.394 13.119 2.921 566 HD3 PRO 75 2HD PRO 75 6.616 14.668 3.761 567 H THR 76 H THR 76 1.564 15.649 1.627 568 HA THR 76 HA THR 76 0.505 13.355 0.672 569 HB THR 76 HB THR 76 -0.850 15.336 0.768 570 HG1 THR 76 1HG THR 76 -1.603 15.281 -1.583 571 HG21 THR 76 1HG2 THR 76 -0.477 17.297 -0.365 572 HG22 THR 76 2HG2 THR 76 0.366 16.499 -1.691 573 HG23 THR 76 3HG2 THR 76 1.184 16.748 -0.149 574 H GLU 77 H GLU 77 2.689 15.503 -1.082 575 HA GLU 77 HA GLU 77 2.517 14.403 -3.620 576 HB2 GLU 77 1HB GLU 77 3.777 16.456 -3.061 577 HB3 GLU 77 2HB GLU 77 5.000 15.473 -2.266 578 HG2 GLU 77 1HG GLU 77 5.749 16.119 -4.464 579 HG3 GLU 77 2HG GLU 77 5.493 14.375 -4.399 580 H ASP 78 H ASP 78 4.856 13.555 -1.065 581 HA ASP 78 HA ASP 78 5.865 11.302 -2.501 582 HB2 ASP 78 1HB ASP 78 6.987 12.734 -0.621 583 HB3 ASP 78 2HB ASP 78 6.170 11.615 0.466 584 H VAL 79 H VAL 79 3.756 11.653 0.344 585 HA VAL 79 HA VAL 79 3.296 9.038 0.991 586 HB VAL 79 HB VAL 79 1.230 11.243 0.922 587 HG11 VAL 79 1HG1 VAL 79 1.241 8.701 2.544 588 HG12 VAL 79 2HG1 VAL 79 -0.005 9.951 2.540 589 HG13 VAL 79 3HG1 VAL 79 0.266 8.969 1.099 590 HG21 VAL 79 1HG2 VAL 79 2.738 10.328 3.341 591 HG22 VAL 79 2HG2 VAL 79 3.434 11.523 2.247 592 HG23 VAL 79 3HG2 VAL 79 1.905 11.856 3.058 593 H SER 80 H SER 80 1.751 10.896 -1.595 594 HA SER 80 HA SER 80 -0.135 8.985 -2.383 595 HB2 SER 80 1HB SER 80 0.055 11.426 -3.127 596 HB3 SER 80 2HB SER 80 1.252 10.863 -4.294 597 HG SER 80 HG SER 80 -1.397 10.791 -4.488 598 H VAL 81 H VAL 81 3.257 9.380 -3.226 599 HA VAL 81 HA VAL 81 3.226 7.326 -5.237 600 HB VAL 81 HB VAL 81 5.554 8.659 -3.845 601 HG11 VAL 81 1HG1 VAL 81 5.638 6.295 -5.196 602 HG12 VAL 81 2HG1 VAL 81 5.965 7.456 -6.485 603 HG13 VAL 81 3HG1 VAL 81 6.988 7.420 -5.048 604 HG21 VAL 81 1HG2 VAL 81 4.275 10.260 -5.101 605 HG22 VAL 81 2HG2 VAL 81 5.754 9.900 -5.991 606 HG23 VAL 81 3HG2 VAL 81 4.224 9.186 -6.500 607 H ALA 82 H ALA 82 4.705 7.580 -1.999 608 HA ALA 82 HA ALA 82 5.641 4.968 -1.811 609 HB1 ALA 82 1HB ALA 82 5.683 5.315 0.603 610 HB2 ALA 82 2HB ALA 82 6.277 6.739 -0.252 611 HB3 ALA 82 3HB ALA 82 4.649 6.732 0.426 612 H GLN 83 H GLN 83 2.527 6.302 -0.717 613 HA GLN 83 HA GLN 83 1.486 3.915 0.320 614 HB2 GLN 83 1HB GLN 83 -0.514 5.047 0.559 615 HB3 GLN 83 2HB GLN 83 0.630 6.381 0.483 616 HG2 GLN 83 1HG GLN 83 0.079 6.814 -1.799 617 HG3 GLN 83 2HG GLN 83 -0.905 5.355 -1.890 618 HE21 GLN 83 1HE2 GLN 83 -2.999 5.506 -1.448 619 HE22 GLN 83 2HE2 GLN 83 -3.781 6.881 -0.753 620 H GLU 84 H GLU 84 1.401 5.282 -2.931 621 HA GLU 84 HA GLU 84 -0.394 3.379 -4.024 622 HB2 GLU 84 1HB GLU 84 -0.069 5.459 -5.172 623 HB3 GLU 84 2HB GLU 84 1.663 5.183 -5.301 624 HG2 GLU 84 1HG GLU 84 0.959 4.664 -7.415 625 HG3 GLU 84 2HG GLU 84 0.952 3.077 -6.650 626 H GLN 85 H GLN 85 3.132 3.547 -3.824 627 HA GLN 85 HA GLN 85 3.743 1.349 -5.436 628 HB2 GLN 85 1HB GLN 85 5.162 2.619 -3.106 629 HB3 GLN 85 2HB GLN 85 5.834 1.225 -3.942 630 HG2 GLN 85 1HG GLN 85 5.451 2.698 -6.069 631 HG3 GLN 85 2HG GLN 85 5.469 4.018 -4.901 632 HE21 GLN 85 1HE2 GLN 85 7.364 4.190 -6.667 633 HE22 GLN 85 2HE2 GLN 85 8.899 3.695 -6.050 634 H ILE 86 H ILE 86 2.853 1.537 -2.034 635 HA ILE 86 HA ILE 86 3.354 -1.231 -1.500 636 HB ILE 86 HB ILE 86 1.664 0.720 0.068 637 HG12 ILE 86 1HG1 ILE 86 4.553 -0.070 0.489 638 HG13 ILE 86 2HG1 ILE 86 4.035 1.434 -0.263 639 HG21 ILE 86 1HG2 ILE 86 2.630 -1.039 1.872 640 HG22 ILE 86 2HG2 ILE 86 1.059 -1.193 1.089 641 HG23 ILE 86 3HG2 ILE 86 2.444 -2.088 0.468 642 HD11 ILE 86 1HD1 ILE 86 4.565 1.075 2.390 643 HD12 ILE 86 2HD1 ILE 86 3.612 2.390 1.702 644 HD13 ILE 86 3HD1 ILE 86 2.807 0.954 2.334 645 H GLU 87 H GLU 87 0.644 0.637 -2.640 646 HA GLU 87 HA GLU 87 -1.367 -1.308 -2.126 647 HB2 GLU 87 1HB GLU 87 -1.185 1.164 -3.802 648 HB3 GLU 87 2HB GLU 87 -2.535 0.063 -4.043 649 HG2 GLU 87 1HG GLU 87 -2.700 0.276 -1.412 650 HG3 GLU 87 2HG GLU 87 -1.894 1.810 -1.737 651 H GLY 88 H GLY 88 1.043 -0.949 -4.561 652 HA2 GLY 88 1HA GLY 88 -0.313 -2.653 -6.480 653 HA3 GLY 88 2HA GLY 88 1.292 -1.960 -6.650 654 H MET 89 H MET 89 2.586 -2.876 -4.428 655 HA MET 89 HA MET 89 3.254 -5.512 -5.178 656 HB2 MET 89 1HB MET 89 4.649 -5.506 -3.120 657 HB3 MET 89 2HB MET 89 4.901 -4.091 -4.135 658 HG2 MET 89 1HG MET 89 3.278 -2.879 -2.630 659 HG3 MET 89 2HG MET 89 3.390 -4.267 -1.549 660 HE1 MET 89 1HE MET 89 4.592 -4.506 0.080 661 HE2 MET 89 2HE MET 89 6.349 -4.578 -0.062 662 HE3 MET 89 3HE MET 89 5.587 -3.232 0.788 663 H VAL 90 H VAL 90 1.160 -4.202 -2.679 664 HA VAL 90 HA VAL 90 0.763 -6.634 -1.269 665 HB VAL 90 HB VAL 90 -0.891 -4.114 -1.398 666 HG11 VAL 90 1HG1 VAL 90 -1.553 -5.476 0.930 667 HG12 VAL 90 2HG1 VAL 90 -2.567 -5.275 -0.501 668 HG13 VAL 90 3HG1 VAL 90 -1.562 -6.715 -0.324 669 HG21 VAL 90 1HG2 VAL 90 1.525 -4.558 -0.210 670 HG22 VAL 90 2HG2 VAL 90 0.357 -3.340 0.298 671 HG23 VAL 90 3HG2 VAL 90 0.403 -4.907 1.105 672 H LYS 91 H LYS 91 -1.080 -4.976 -3.806 673 HA LYS 91 HA LYS 91 -3.202 -6.837 -3.912 674 HB2 LYS 91 1HB LYS 91 -3.530 -4.665 -4.857 675 HB3 LYS 91 2HB LYS 91 -2.148 -4.855 -5.928 676 HG2 LYS 91 1HG LYS 91 -3.816 -5.267 -7.407 677 HG3 LYS 91 2HG LYS 91 -3.570 -6.908 -6.802 678 HD2 LYS 91 1HD LYS 91 -5.460 -6.782 -5.399 679 HD3 LYS 91 2HD LYS 91 -5.568 -5.028 -5.569 680 HE2 LYS 91 1HE LYS 91 -6.547 -5.154 -7.634 681 HE3 LYS 91 2HE LYS 91 -5.788 -6.698 -8.020 682 HZ1 LYS 91 1HZ LYS 91 -8.077 -7.108 -7.693 683 HZ2 LYS 91 2HZ LYS 91 -8.120 -6.223 -6.254 684 HZ3 LYS 91 3HZ LYS 91 -7.296 -7.700 -6.314 685 H ASP 92 H ASP 92 -0.167 -6.567 -5.713 686 HA ASP 92 HA ASP 92 -0.659 -8.705 -7.493 687 HB2 ASP 92 1HB ASP 92 1.104 -6.901 -7.735 688 HB3 ASP 92 2HB ASP 92 2.054 -7.783 -6.542 689 H LEU 93 H LEU 93 0.582 -8.553 -4.233 690 HA LEU 93 HA LEU 93 1.594 -11.232 -4.197 691 HB2 LEU 93 1HB LEU 93 1.033 -9.182 -2.079 692 HB3 LEU 93 2HB LEU 93 1.539 -10.819 -1.668 693 HG LEU 93 HG LEU 93 3.165 -9.034 -3.463 694 HD11 LEU 93 1HD1 LEU 93 3.454 -7.724 -1.666 695 HD12 LEU 93 2HD1 LEU 93 4.490 -9.032 -1.094 696 HD13 LEU 93 3HD1 LEU 93 2.814 -8.934 -0.553 697 HD21 LEU 93 1HD2 LEU 93 3.966 -11.176 -3.719 698 HD22 LEU 93 2HD2 LEU 93 3.561 -11.642 -2.067 699 HD23 LEU 93 3HD2 LEU 93 4.949 -10.597 -2.374 700 H ILE 94 H ILE 94 -1.317 -9.647 -2.913 701 HA ILE 94 HA ILE 94 -2.463 -11.930 -1.749 702 HB ILE 94 HB ILE 94 -3.810 -9.470 -2.867 703 HG12 ILE 94 1HG1 ILE 94 -3.348 -10.127 0.032 704 HG13 ILE 94 2HG1 ILE 94 -2.107 -9.322 -0.923 705 HG21 ILE 94 1HG2 ILE 94 -4.927 -11.574 -1.019 706 HG22 ILE 94 2HG2 ILE 94 -5.746 -10.102 -1.536 707 HG23 ILE 94 3HG2 ILE 94 -5.364 -11.358 -2.713 708 HD11 ILE 94 1HD1 ILE 94 -3.748 -7.538 -1.441 709 HD12 ILE 94 2HD1 ILE 94 -4.879 -8.320 -0.336 710 HD13 ILE 94 3HD1 ILE 94 -3.354 -7.676 0.273 711 H ASN 95 H ASN 95 -2.550 -10.677 -5.029 712 HA ASN 95 HA ASN 95 -4.590 -12.465 -5.939 713 HB2 ASN 95 1HB ASN 95 -2.611 -10.688 -7.362 714 HB3 ASN 95 2HB ASN 95 -3.735 -11.728 -8.232 715 HD21 ASN 95 1HD2 ASN 95 -4.153 -9.371 -8.961 716 HD22 ASN 95 2HD2 ASN 95 -5.450 -8.575 -8.144 717 H ARG 96 H ARG 96 -1.149 -12.625 -5.569 718 HA ARG 96 HA ARG 96 -1.046 -15.125 -7.106 719 HB2 ARG 96 1HB ARG 96 1.139 -13.276 -6.144 720 HB3 ARG 96 2HB ARG 96 1.446 -14.837 -6.894 721 HG2 ARG 96 1HG ARG 96 -0.296 -12.947 -8.364 722 HG3 ARG 96 2HG ARG 96 1.425 -12.567 -8.267 723 HD2 ARG 96 1HD ARG 96 1.384 -13.840 -10.172 724 HD3 ARG 96 2HD ARG 96 1.695 -15.083 -8.961 725 HE ARG 96 HE ARG 96 -0.768 -14.674 -10.456 726 HH11 ARG 96 1HH1 ARG 96 0.904 -16.343 -7.898 727 HH12 ARG 96 2HH1 ARG 96 -0.239 -17.643 -7.822 728 HH21 ARG 96 1HH2 ARG 96 -2.280 -16.380 -10.366 729 HH22 ARG 96 2HH2 ARG 96 -2.049 -17.664 -9.226 730 H SER 97 H SER 97 -2.233 -16.128 -5.278 731 HA SER 97 HA SER 97 -0.422 -16.798 -3.052 732 HB2 SER 97 1HB SER 97 -2.493 -15.620 -2.363 733 HB3 SER 97 2HB SER 97 -3.448 -16.915 -3.086 734 HG SER 97 HG SER 97 -3.268 -17.777 -1.175 735 H GLY 98 H GLY 98 -0.837 -19.012 -2.111 736 HA2 GLY 98 1HA GLY 98 -1.620 -20.942 -4.196 737 HA3 GLY 98 2HA GLY 98 -0.076 -21.109 -3.373 738 HA PRO 99 HA PRO 99 -3.815 -22.996 -0.995 739 HB2 PRO 99 1HB PRO 99 -3.863 -25.512 -2.013 740 HB3 PRO 99 2HB PRO 99 -4.844 -24.194 -2.664 741 HG2 PRO 99 1HG PRO 99 -2.243 -25.290 -3.661 742 HG3 PRO 99 2HG PRO 99 -3.687 -24.821 -4.580 743 HD2 PRO 99 1HD PRO 99 -1.507 -23.226 -4.375 744 HD3 PRO 99 2HD PRO 99 -3.156 -22.579 -4.511 745 H SER 100 H SER 100 -3.017 -23.478 0.944 746 HA SER 100 HA SER 100 -0.501 -24.195 1.643 747 HB2 SER 100 1HB SER 100 -1.321 -24.794 3.773 748 HB3 SER 100 2HB SER 100 -2.506 -23.643 3.155 749 HG SER 100 HG SER 100 -3.041 -25.983 4.058 750 H SER 101 H SER 101 0.433 -26.217 2.431 751 HA SER 101 HA SER 101 -0.695 -28.698 1.464 752 HB2 SER 101 1HB SER 101 1.191 -29.283 0.030 753 HB3 SER 101 2HB SER 101 0.442 -27.793 -0.544 754 HG SER 101 HG SER 101 2.428 -27.088 -0.449 755 H GLY 102 H GLY 102 0.219 -30.523 2.419 756 HA2 GLY 102 1HA GLY 102 1.109 -30.419 4.979 757 HA3 GLY 102 2HA GLY 102 1.521 -31.737 3.891 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 12.261 19.953 14.517 2 HA2 GLY 1 1HA GLY 1 10.014 20.690 14.931 3 HA3 GLY 1 2HA GLY 1 9.585 20.167 13.309 4 H SER 2 H SER 2 9.885 19.267 16.611 5 HA SER 2 HA SER 2 8.791 16.615 15.957 6 HB2 SER 2 1HB SER 2 11.157 16.403 16.655 7 HB3 SER 2 2HB SER 2 10.765 17.205 18.176 8 HG SER 2 HG SER 2 9.200 15.017 17.510 9 H SER 3 H SER 3 9.174 19.082 18.480 10 HA SER 3 HA SER 3 7.152 18.071 20.179 11 HB2 SER 3 1HB SER 3 8.551 20.722 19.944 12 HB3 SER 3 2HB SER 3 7.205 20.514 21.066 13 HG SER 3 HG SER 3 9.406 20.089 21.888 14 H GLY 4 H GLY 4 5.239 19.602 20.789 15 HA2 GLY 4 1HA GLY 4 3.616 21.193 19.868 16 HA3 GLY 4 2HA GLY 4 3.926 20.481 18.291 17 H SER 5 H SER 5 1.418 20.544 18.663 18 HA SER 5 HA SER 5 0.623 17.946 19.806 19 HB2 SER 5 1HB SER 5 -0.314 20.046 20.901 20 HB3 SER 5 2HB SER 5 -1.214 20.310 19.407 21 HG SER 5 HG SER 5 -2.611 18.939 20.139 22 H SER 6 H SER 6 -1.487 17.134 18.767 23 HA SER 6 HA SER 6 -1.383 17.579 15.856 24 HB2 SER 6 1HB SER 6 -1.727 14.943 17.306 25 HB3 SER 6 2HB SER 6 -1.894 15.161 15.563 26 HG SER 6 HG SER 6 0.361 14.955 17.088 27 H GLY 7 H GLY 7 -3.343 17.384 14.721 28 HA2 GLY 7 1HA GLY 7 -5.789 16.530 15.496 29 HA3 GLY 7 2HA GLY 7 -5.661 18.090 16.296 30 H GLU 8 H GLU 8 -6.132 16.437 13.303 31 HA GLU 8 HA GLU 8 -6.397 19.017 11.910 32 HB2 GLU 8 1HB GLU 8 -6.123 17.750 9.817 33 HB3 GLU 8 2HB GLU 8 -4.738 17.563 10.884 34 HG2 GLU 8 1HG GLU 8 -5.919 15.411 11.671 35 HG3 GLU 8 2HG GLU 8 -6.861 15.578 10.189 36 HA PRO 9 HA PRO 9 -10.757 18.345 11.812 37 HB2 PRO 9 1HB PRO 9 -11.369 20.146 9.874 38 HB3 PRO 9 2HB PRO 9 -10.938 20.617 11.523 39 HG2 PRO 9 1HG PRO 9 -9.236 20.571 9.061 40 HG3 PRO 9 2HG PRO 9 -9.335 21.806 10.331 41 HD2 PRO 9 1HD PRO 9 -7.344 19.972 10.232 42 HD3 PRO 9 2HD PRO 9 -7.968 20.622 11.761 43 H GLU 10 H GLU 10 -12.505 18.048 10.058 44 HA GLU 10 HA GLU 10 -11.943 15.753 8.582 45 HB2 GLU 10 1HB GLU 10 -14.128 15.956 7.658 46 HB3 GLU 10 2HB GLU 10 -14.213 16.568 9.304 47 HG2 GLU 10 1HG GLU 10 -14.250 18.824 8.545 48 HG3 GLU 10 2HG GLU 10 -13.894 18.331 6.890 49 H LYS 11 H LYS 11 -11.483 15.350 6.450 50 HA LYS 11 HA LYS 11 -10.676 17.688 4.845 51 HB2 LYS 11 1HB LYS 11 -9.101 16.026 3.718 52 HB3 LYS 11 2HB LYS 11 -8.693 16.519 5.356 53 HG2 LYS 11 1HG LYS 11 -9.628 14.447 6.227 54 HG3 LYS 11 2HG LYS 11 -10.076 13.954 4.593 55 HD2 LYS 11 1HD LYS 11 -8.069 12.836 4.939 56 HD3 LYS 11 2HD LYS 11 -7.564 14.282 4.061 57 HE2 LYS 11 1HE LYS 11 -7.202 15.314 6.387 58 HE3 LYS 11 2HE LYS 11 -7.283 13.657 6.983 59 HZ1 LYS 11 1HZ LYS 11 -5.299 13.135 6.072 60 HZ2 LYS 11 2HZ LYS 11 -5.026 14.796 6.226 61 HZ3 LYS 11 3HZ LYS 11 -5.498 14.152 4.735 62 H LEU 12 H LEU 12 -11.877 18.023 3.105 63 HA LEU 12 HA LEU 12 -13.154 15.706 1.806 64 HB2 LEU 12 1HB LEU 12 -14.228 18.440 2.399 65 HB3 LEU 12 2HB LEU 12 -14.885 17.476 1.077 66 HG LEU 12 HG LEU 12 -14.789 16.482 3.916 67 HD11 LEU 12 1HD1 LEU 12 -16.288 18.069 4.395 68 HD12 LEU 12 2HD1 LEU 12 -17.404 17.107 3.427 69 HD13 LEU 12 3HD1 LEU 12 -16.551 18.468 2.697 70 HD21 LEU 12 1HD2 LEU 12 -16.874 15.621 2.036 71 HD22 LEU 12 2HD2 LEU 12 -15.906 14.681 3.172 72 HD23 LEU 12 3HD2 LEU 12 -15.235 15.135 1.605 73 H GLY 13 H GLY 13 -12.278 15.346 -0.118 74 HA2 GLY 13 1HA GLY 13 -10.739 17.335 -1.493 75 HA3 GLY 13 2HA GLY 13 -11.100 15.715 -2.069 76 H GLN 14 H GLN 14 -12.423 18.974 -1.736 77 HA GLN 14 HA GLN 14 -14.490 18.372 -3.706 78 HB2 GLN 14 1HB GLN 14 -14.893 19.722 -1.569 79 HB3 GLN 14 2HB GLN 14 -14.021 21.027 -2.361 80 HG2 GLN 14 1HG GLN 14 -16.379 21.360 -2.632 81 HG3 GLN 14 2HG GLN 14 -15.660 20.976 -4.195 82 HE21 GLN 14 1HE2 GLN 14 -16.917 19.134 -1.429 83 HE22 GLN 14 2HE2 GLN 14 -17.921 18.087 -2.367 84 H ALA 15 H ALA 15 -14.290 18.841 -5.792 85 HA ALA 15 HA ALA 15 -13.344 19.517 -7.757 86 HB1 ALA 15 1HB ALA 15 -14.364 21.552 -7.579 87 HB2 ALA 15 2HB ALA 15 -13.531 21.963 -6.078 88 HB3 ALA 15 3HB ALA 15 -12.677 22.064 -7.618 89 H LEU 16 H LEU 16 -11.545 18.109 -6.182 90 HA LEU 16 HA LEU 16 -9.314 17.883 -5.608 91 HB2 LEU 16 1HB LEU 16 -9.112 18.861 -8.452 92 HB3 LEU 16 2HB LEU 16 -7.917 17.890 -7.594 93 HG LEU 16 HG LEU 16 -10.708 16.938 -8.217 94 HD11 LEU 16 1HD1 LEU 16 -8.623 15.651 -9.720 95 HD12 LEU 16 2HD1 LEU 16 -8.640 17.385 -10.041 96 HD13 LEU 16 3HD1 LEU 16 -10.101 16.428 -10.288 97 HD21 LEU 16 1HD2 LEU 16 -9.864 15.670 -6.443 98 HD22 LEU 16 2HD2 LEU 16 -8.229 15.661 -7.107 99 HD23 LEU 16 3HD2 LEU 16 -9.499 14.709 -7.876 100 H THR 17 H THR 17 -10.140 20.306 -4.601 101 HA THR 17 HA THR 17 -8.252 22.348 -5.431 102 HB THR 17 HB THR 17 -9.299 23.664 -3.536 103 HG1 THR 17 1HG THR 17 -10.141 21.447 -2.686 104 HG21 THR 17 1HG2 THR 17 -10.544 22.779 -6.037 105 HG22 THR 17 2HG2 THR 17 -10.319 24.407 -5.396 106 HG23 THR 17 3HG2 THR 17 -11.682 23.427 -4.856 107 H GLU 18 H GLU 18 -7.169 23.571 -3.516 108 HA GLU 18 HA GLU 18 -5.686 21.558 -1.979 109 HB2 GLU 18 1HB GLU 18 -4.282 22.932 -3.375 110 HB3 GLU 18 2HB GLU 18 -5.007 24.401 -2.736 111 HG2 GLU 18 1HG GLU 18 -2.971 24.271 -1.640 112 HG3 GLU 18 2HG GLU 18 -4.116 23.627 -0.466 113 H VAL 19 H VAL 19 -7.231 21.308 -0.318 114 HA VAL 19 HA VAL 19 -8.401 23.354 1.171 115 HB VAL 19 HB VAL 19 -7.589 20.637 2.214 116 HG11 VAL 19 1HG1 VAL 19 -9.700 21.035 3.609 117 HG12 VAL 19 2HG1 VAL 19 -8.242 21.922 4.057 118 HG13 VAL 19 3HG1 VAL 19 -9.525 22.729 3.154 119 HG21 VAL 19 1HG2 VAL 19 -10.147 21.462 0.844 120 HG22 VAL 19 2HG2 VAL 19 -8.877 20.471 0.127 121 HG23 VAL 19 3HG2 VAL 19 -9.786 19.870 1.513 122 H TYR 20 H TYR 20 -7.943 23.863 3.482 123 HA TYR 20 HA TYR 20 -5.175 24.666 3.742 124 HB2 TYR 20 1HB TYR 20 -6.077 25.731 5.895 125 HB3 TYR 20 2HB TYR 20 -6.688 26.356 4.367 126 HD1 TYR 20 1HD TYR 20 -7.569 23.564 6.702 127 HD2 TYR 20 2HD TYR 20 -8.931 26.853 4.372 128 HE1 TYR 20 1HE TYR 20 -9.871 23.135 7.454 129 HE2 TYR 20 2HE TYR 20 -11.237 26.435 5.119 130 HH TYR 20 HH TYR 20 -12.557 25.222 6.430 131 H ALA 21 H ALA 21 -6.347 21.809 4.139 132 HA ALA 21 HA ALA 21 -5.681 21.195 6.871 133 HB1 ALA 21 1HB ALA 21 -7.349 19.821 5.997 134 HB2 ALA 21 2HB ALA 21 -6.470 19.549 4.492 135 HB3 ALA 21 3HB ALA 21 -5.913 18.797 5.987 136 H LYS 22 H LYS 22 -3.530 22.475 5.745 137 HA LYS 22 HA LYS 22 -1.566 20.306 5.400 138 HB2 LYS 22 1HB LYS 22 -1.607 23.105 4.280 139 HB3 LYS 22 2HB LYS 22 -0.153 22.117 4.299 140 HG2 LYS 22 1HG LYS 22 -2.726 21.281 2.984 141 HG3 LYS 22 2HG LYS 22 -1.405 22.097 2.146 142 HD2 LYS 22 1HD LYS 22 0.008 20.135 3.225 143 HD3 LYS 22 2HD LYS 22 -1.560 19.325 3.216 144 HE2 LYS 22 1HE LYS 22 -0.748 18.718 1.157 145 HE3 LYS 22 2HE LYS 22 -1.640 20.180 0.740 146 HZ1 LYS 22 1HZ LYS 22 0.907 19.729 0.065 147 HZ2 LYS 22 2HZ LYS 22 1.121 20.602 1.498 148 HZ3 LYS 22 3HZ LYS 22 0.232 21.272 0.225 149 H ALA 23 H ALA 23 -1.099 20.042 7.577 150 HA ALA 23 HA ALA 23 -0.323 22.323 9.185 151 HB1 ALA 23 1HB ALA 23 -1.585 20.539 10.233 152 HB2 ALA 23 2HB ALA 23 -0.328 19.374 9.816 153 HB3 ALA 23 3HB ALA 23 0.013 20.664 10.969 154 H ASN 24 H ASN 24 1.480 22.987 7.844 155 HA ASN 24 HA ASN 24 3.707 23.196 7.431 156 HB2 ASN 24 1HB ASN 24 3.651 21.531 9.904 157 HB3 ASN 24 2HB ASN 24 5.178 21.658 9.035 158 HD21 ASN 24 1HD2 ASN 24 5.468 24.095 8.247 159 HD22 ASN 24 2HD2 ASN 24 5.344 25.243 9.533 160 H SER 25 H SER 25 2.287 21.468 5.793 161 HA SER 25 HA SER 25 2.551 19.840 4.227 162 HB2 SER 25 1HB SER 25 5.344 20.673 4.863 163 HB3 SER 25 2HB SER 25 5.120 19.220 3.889 164 HG SER 25 HG SER 25 4.721 21.855 3.236 165 H PHE 26 H PHE 26 1.801 18.896 6.687 166 HA PHE 26 HA PHE 26 3.243 16.331 6.838 167 HB2 PHE 26 1HB PHE 26 3.462 17.969 8.839 168 HB3 PHE 26 2HB PHE 26 1.801 17.508 9.198 169 HD1 PHE 26 2HD PHE 26 4.883 15.678 8.145 170 HD2 PHE 26 1HD PHE 26 1.659 15.997 10.906 171 HE1 PHE 26 2HE PHE 26 5.698 13.677 9.324 172 HE2 PHE 26 1HE PHE 26 2.469 13.998 12.089 173 HZ PHE 26 HZ PHE 26 4.490 12.835 11.297 174 H THR 27 H THR 27 2.012 14.753 6.082 175 HA THR 27 HA THR 27 -0.851 14.743 6.758 176 HB THR 27 HB THR 27 0.333 14.111 4.050 177 HG1 THR 27 1HG THR 27 -0.240 16.102 3.661 178 HG21 THR 27 1HG2 THR 27 -1.472 12.527 4.758 179 HG22 THR 27 2HG2 THR 27 -1.868 13.484 3.331 180 HG23 THR 27 3HG2 THR 27 -2.555 13.910 4.899 181 H VAL 28 H VAL 28 -1.671 12.809 7.377 182 HA VAL 28 HA VAL 28 0.091 10.456 7.160 183 HB VAL 28 HB VAL 28 -1.670 11.162 9.513 184 HG11 VAL 28 1HG1 VAL 28 -1.184 9.142 10.453 185 HG12 VAL 28 2HG1 VAL 28 -1.163 8.675 8.751 186 HG13 VAL 28 3HG1 VAL 28 0.351 8.988 9.600 187 HG21 VAL 28 1HG2 VAL 28 0.139 12.562 9.787 188 HG22 VAL 28 2HG2 VAL 28 0.692 11.115 10.630 189 HG23 VAL 28 3HG2 VAL 28 1.256 11.452 8.993 190 H SER 29 H SER 29 -0.824 9.020 5.857 191 HA SER 29 HA SER 29 -3.738 8.621 6.035 192 HB2 SER 29 1HB SER 29 -2.732 9.691 3.872 193 HB3 SER 29 2HB SER 29 -2.214 8.044 3.513 194 HG SER 29 HG SER 29 -4.184 8.082 2.654 195 H SER 30 H SER 30 -4.446 6.436 5.337 196 HA SER 30 HA SER 30 -2.435 4.400 6.046 197 HB2 SER 30 1HB SER 30 -4.405 3.070 6.928 198 HB3 SER 30 2HB SER 30 -3.991 4.510 7.857 199 HG SER 30 HG SER 30 -6.170 4.582 7.572 200 H VAL 31 H VAL 31 -2.709 2.303 5.077 201 HA VAL 31 HA VAL 31 -4.263 2.351 2.573 202 HB VAL 31 HB VAL 31 -1.475 1.266 2.985 203 HG11 VAL 31 1HG1 VAL 31 -2.345 1.158 0.265 204 HG12 VAL 31 2HG1 VAL 31 -1.786 -0.154 1.306 205 HG13 VAL 31 3HG1 VAL 31 -3.495 0.285 1.279 206 HG21 VAL 31 1HG2 VAL 31 -2.334 3.234 0.897 207 HG22 VAL 31 2HG2 VAL 31 -1.943 3.769 2.531 208 HG23 VAL 31 3HG2 VAL 31 -0.726 2.942 1.560 209 H ALA 32 H ALA 32 -5.670 0.741 2.400 210 HA ALA 32 HA ALA 32 -6.088 -1.198 4.352 211 HB1 ALA 32 1HB ALA 32 -7.907 -0.681 2.965 212 HB2 ALA 32 2HB ALA 32 -6.989 -1.003 1.493 213 HB3 ALA 32 3HB ALA 32 -7.473 -2.337 2.540 214 H ALA 33 H ALA 33 -4.768 -2.797 4.905 215 HA ALA 33 HA ALA 33 -3.798 -4.628 2.876 216 HB1 ALA 33 1HB ALA 33 -1.472 -4.455 4.140 217 HB2 ALA 33 2HB ALA 33 -1.861 -3.441 2.750 218 HB3 ALA 33 3HB ALA 33 -2.018 -2.796 4.384 219 HA PRO 34 HA PRO 34 -4.704 -7.510 6.082 220 HB2 PRO 34 1HB PRO 34 -3.310 -9.641 5.140 221 HB3 PRO 34 2HB PRO 34 -4.826 -9.089 4.418 222 HG2 PRO 34 1HG PRO 34 -2.011 -8.573 3.540 223 HG3 PRO 34 2HG PRO 34 -3.431 -8.986 2.561 224 HD2 PRO 34 1HD PRO 34 -2.505 -6.451 2.788 225 HD3 PRO 34 2HD PRO 34 -4.228 -6.823 2.578 226 H SER 35 H SER 35 -3.226 -9.443 7.154 227 HA SER 35 HA SER 35 -0.733 -8.177 8.072 228 HB2 SER 35 1HB SER 35 -1.219 -8.885 10.366 229 HB3 SER 35 2HB SER 35 -2.498 -7.830 9.764 230 HG SER 35 HG SER 35 -2.799 -10.581 9.406 231 H TRP 36 H TRP 36 -2.559 -11.091 7.457 232 HA TRP 36 HA TRP 36 -0.849 -13.043 8.403 233 HB2 TRP 36 1HB TRP 36 -1.779 -14.480 6.564 234 HB3 TRP 36 2HB TRP 36 -2.997 -13.658 7.534 235 HD1 TRP 36 HD TRP 36 -4.357 -11.652 6.353 236 HE1 TRP 36 1HE TRP 36 -4.796 -11.129 3.871 237 HE3 TRP 36 3HE TRP 36 -0.752 -14.606 4.252 238 HZ2 TRP 36 2HZ TRP 36 -3.753 -11.872 1.356 239 HZ3 TRP 36 3HZ TRP 36 -0.539 -14.644 1.801 240 HH2 TRP 36 HH TRP 36 -2.010 -13.305 0.385 241 H LEU 37 H LEU 37 -0.393 -10.863 5.784 242 HA LEU 37 HA LEU 37 1.940 -12.397 4.853 243 HB2 LEU 37 1HB LEU 37 1.816 -10.925 2.843 244 HB3 LEU 37 2HB LEU 37 0.439 -12.004 3.059 245 HG LEU 37 HG LEU 37 -0.670 -9.918 4.162 246 HD11 LEU 37 1HD1 LEU 37 1.598 -8.719 2.598 247 HD12 LEU 37 2HD1 LEU 37 1.148 -8.421 4.276 248 HD13 LEU 37 3HD1 LEU 37 0.120 -7.832 2.971 249 HD21 LEU 37 1HD2 LEU 37 -1.873 -10.318 2.333 250 HD22 LEU 37 2HD2 LEU 37 -0.458 -10.867 1.434 251 HD23 LEU 37 3HD2 LEU 37 -0.845 -9.148 1.507 252 H HIS 38 H HIS 38 1.898 -10.756 7.251 253 HA HIS 38 HA HIS 38 3.190 -8.271 6.719 254 HB2 HIS 38 1HB HIS 38 2.573 -9.892 9.137 255 HB3 HIS 38 2HB HIS 38 3.857 -8.694 9.272 256 HD2 HIS 38 2HD HIS 38 1.521 -7.020 6.991 257 HE1 HIS 38 1HE HIS 38 -0.028 -6.165 10.847 258 HE2 HIS 38 2HE HIS 38 -0.151 -5.628 8.389 259 H ARG 39 H ARG 39 4.253 -11.537 6.973 260 HA ARG 39 HA ARG 39 7.015 -10.857 7.500 261 HB2 ARG 39 1HB ARG 39 6.503 -12.914 8.432 262 HB3 ARG 39 2HB ARG 39 5.485 -13.390 7.079 263 HG2 ARG 39 1HG ARG 39 7.424 -14.748 7.016 264 HG3 ARG 39 2HG ARG 39 7.564 -13.584 5.698 265 HD2 ARG 39 1HD ARG 39 9.661 -13.409 6.579 266 HD3 ARG 39 2HD ARG 39 8.836 -12.189 7.548 267 HE ARG 39 HE ARG 39 8.638 -14.637 8.878 268 HH11 ARG 39 1HH1 ARG 39 11.068 -12.322 7.953 269 HH12 ARG 39 2HH1 ARG 39 12.112 -12.690 9.286 270 HH21 ARG 39 1HH2 ARG 39 10.004 -15.132 10.636 271 HH22 ARG 39 2HH2 ARG 39 11.506 -14.290 10.811 272 H PHE 40 H PHE 40 4.987 -11.572 4.754 273 HA PHE 40 HA PHE 40 7.227 -11.856 2.942 274 HB2 PHE 40 1HB PHE 40 4.238 -11.814 2.510 275 HB3 PHE 40 2HB PHE 40 5.400 -11.965 1.197 276 HD1 PHE 40 2HD PHE 40 6.842 -13.967 1.050 277 HD2 PHE 40 1HD PHE 40 3.705 -13.649 3.910 278 HE1 PHE 40 2HE PHE 40 6.913 -16.402 1.395 279 HE2 PHE 40 1HE PHE 40 3.771 -16.084 4.259 280 HZ PHE 40 HZ PHE 40 5.376 -17.464 3.000 281 H ILE 41 H ILE 41 4.695 -9.485 3.637 282 HA ILE 41 HA ILE 41 5.255 -7.671 1.589 283 HB ILE 41 HB ILE 41 3.314 -7.698 3.322 284 HG12 ILE 41 1HG1 ILE 41 4.446 -4.992 2.630 285 HG13 ILE 41 2HG1 ILE 41 3.780 -6.063 1.402 286 HG21 ILE 41 1HG2 ILE 41 3.566 -6.194 5.186 287 HG22 ILE 41 2HG2 ILE 41 4.811 -7.439 5.276 288 HG23 ILE 41 3HG2 ILE 41 5.222 -5.821 4.708 289 HD11 ILE 41 1HD1 ILE 41 1.808 -6.015 3.308 290 HD12 ILE 41 2HD1 ILE 41 2.431 -4.364 3.328 291 HD13 ILE 41 3HD1 ILE 41 1.842 -5.066 1.821 292 H ILE 42 H ILE 42 6.894 -8.298 4.586 293 HA ILE 42 HA ILE 42 8.467 -5.858 4.430 294 HB ILE 42 HB ILE 42 8.574 -8.168 6.371 295 HG12 ILE 42 1HG1 ILE 42 7.676 -5.319 6.822 296 HG13 ILE 42 2HG1 ILE 42 6.570 -6.630 6.428 297 HG21 ILE 42 1HG2 ILE 42 9.870 -5.999 7.508 298 HG22 ILE 42 2HG2 ILE 42 10.623 -7.462 6.875 299 HG23 ILE 42 3HG2 ILE 42 10.463 -6.037 5.848 300 HD11 ILE 42 1HD1 ILE 42 6.628 -6.166 8.821 301 HD12 ILE 42 2HD1 ILE 42 7.204 -7.794 8.460 302 HD13 ILE 42 3HD1 ILE 42 8.357 -6.516 8.847 303 H GLY 43 H GLY 43 9.084 -9.372 4.369 304 HA2 GLY 43 1HA GLY 43 10.523 -10.254 2.608 305 HA3 GLY 43 2HA GLY 43 11.495 -8.797 2.763 306 H LYS 44 H LYS 44 11.983 -11.805 3.092 307 HA LYS 44 HA LYS 44 12.509 -12.605 5.637 308 HB2 LYS 44 1HB LYS 44 13.063 -13.676 3.279 309 HB3 LYS 44 2HB LYS 44 14.665 -13.036 3.616 310 HG2 LYS 44 1HG LYS 44 14.322 -14.249 5.916 311 HG3 LYS 44 2HG LYS 44 13.157 -15.200 4.991 312 HD2 LYS 44 1HD LYS 44 15.896 -14.751 3.887 313 HD3 LYS 44 2HD LYS 44 15.656 -15.960 5.151 314 HE2 LYS 44 1HE LYS 44 14.089 -15.863 2.578 315 HE3 LYS 44 2HE LYS 44 15.526 -16.854 2.823 316 HZ1 LYS 44 1HZ LYS 44 14.106 -17.613 4.909 317 HZ2 LYS 44 2HZ LYS 44 13.963 -18.360 3.399 318 HZ3 LYS 44 3HZ LYS 44 12.831 -17.197 3.878 319 H LYS 45 H LYS 45 14.698 -10.653 3.617 320 HA LYS 45 HA LYS 45 16.124 -9.871 6.075 321 HB2 LYS 45 1HB LYS 45 17.366 -11.133 4.201 322 HB3 LYS 45 2HB LYS 45 17.251 -9.629 3.296 323 HG2 LYS 45 1HG LYS 45 18.533 -8.463 4.944 324 HG3 LYS 45 2HG LYS 45 18.509 -9.863 6.020 325 HD2 LYS 45 1HD LYS 45 19.637 -10.140 3.267 326 HD3 LYS 45 2HD LYS 45 20.604 -9.374 4.530 327 HE2 LYS 45 1HE LYS 45 19.278 -12.020 4.997 328 HE3 LYS 45 2HE LYS 45 20.822 -11.923 4.154 329 HZ1 LYS 45 1HZ LYS 45 21.566 -10.560 6.159 330 HZ2 LYS 45 2HZ LYS 45 21.394 -12.229 6.370 331 HZ3 LYS 45 3HZ LYS 45 20.199 -11.178 6.942 332 H GLY 46 H GLY 46 13.770 -8.565 5.471 333 HA2 GLY 46 1HA GLY 46 12.858 -6.522 4.836 334 HA3 GLY 46 2HA GLY 46 14.228 -5.945 5.773 335 H GLN 47 H GLN 47 12.959 -6.502 2.579 336 HA GLN 47 HA GLN 47 15.120 -4.823 1.497 337 HB2 GLN 47 1HB GLN 47 14.096 -7.442 0.528 338 HB3 GLN 47 2HB GLN 47 14.519 -6.239 -0.683 339 HG2 GLN 47 1HG GLN 47 16.731 -6.065 0.698 340 HG3 GLN 47 2HG GLN 47 16.260 -7.669 1.261 341 HE21 GLN 47 1HE2 GLN 47 18.454 -6.636 -0.519 342 HE22 GLN 47 2HE2 GLN 47 18.354 -7.618 -1.937 343 H ASN 48 H ASN 48 11.881 -6.123 0.764 344 HA ASN 48 HA ASN 48 11.118 -4.294 -1.161 345 HB2 ASN 48 1HB ASN 48 9.301 -5.470 0.953 346 HB3 ASN 48 2HB ASN 48 8.826 -4.881 -0.637 347 HD21 ASN 48 1HD2 ASN 48 9.962 -7.517 1.173 348 HD22 ASN 48 2HD2 ASN 48 10.151 -8.636 -0.130 349 H LEU 49 H LEU 49 11.079 -3.980 2.343 350 HA LEU 49 HA LEU 49 9.738 -1.425 2.275 351 HB2 LEU 49 1HB LEU 49 10.923 -3.145 4.414 352 HB3 LEU 49 2HB LEU 49 10.521 -1.464 4.757 353 HG LEU 49 HG LEU 49 8.508 -3.434 3.695 354 HD11 LEU 49 1HD1 LEU 49 7.726 -3.399 6.142 355 HD12 LEU 49 2HD1 LEU 49 9.372 -2.882 6.510 356 HD13 LEU 49 3HD1 LEU 49 9.092 -4.431 5.714 357 HD21 LEU 49 1HD2 LEU 49 8.497 -0.640 4.136 358 HD22 LEU 49 2HD2 LEU 49 7.456 -1.375 5.356 359 HD23 LEU 49 3HD2 LEU 49 7.157 -1.677 3.644 360 H ALA 50 H ALA 50 12.967 -2.493 3.361 361 HA ALA 50 HA ALA 50 14.155 -0.090 3.843 362 HB1 ALA 50 1HB ALA 50 15.532 -2.344 2.395 363 HB2 ALA 50 2HB ALA 50 16.269 -1.127 3.437 364 HB3 ALA 50 3HB ALA 50 15.194 -2.343 4.127 365 H LYS 51 H LYS 51 13.779 -1.650 0.681 366 HA LYS 51 HA LYS 51 15.217 0.205 -0.841 367 HB2 LYS 51 1HB LYS 51 14.075 -2.116 -1.437 368 HB3 LYS 51 2HB LYS 51 12.777 -1.067 -1.995 369 HG2 LYS 51 1HG LYS 51 15.628 -0.752 -2.891 370 HG3 LYS 51 2HG LYS 51 14.458 -1.774 -3.729 371 HD2 LYS 51 1HD LYS 51 13.042 0.114 -4.174 372 HD3 LYS 51 2HD LYS 51 14.049 1.162 -3.172 373 HE2 LYS 51 1HE LYS 51 15.867 1.005 -4.715 374 HE3 LYS 51 2HE LYS 51 15.047 -0.253 -5.638 375 HZ1 LYS 51 1HZ LYS 51 14.626 2.630 -5.645 376 HZ2 LYS 51 2HZ LYS 51 13.245 1.667 -5.799 377 HZ3 LYS 51 3HZ LYS 51 14.509 1.515 -6.912 378 H ILE 52 H ILE 52 11.681 0.003 -0.394 379 HA ILE 52 HA ILE 52 10.940 2.291 -1.726 380 HB ILE 52 HB ILE 52 9.732 1.158 0.799 381 HG12 ILE 52 1HG1 ILE 52 8.780 0.867 -2.052 382 HG13 ILE 52 2HG1 ILE 52 9.864 -0.292 -1.289 383 HG21 ILE 52 1HG2 ILE 52 7.657 2.362 -0.138 384 HG22 ILE 52 2HG2 ILE 52 8.871 3.316 0.713 385 HG23 ILE 52 3HG2 ILE 52 8.816 3.330 -1.049 386 HD11 ILE 52 1HD1 ILE 52 7.714 -1.196 -1.087 387 HD12 ILE 52 2HD1 ILE 52 8.092 -0.538 0.505 388 HD13 ILE 52 3HD1 ILE 52 7.021 0.344 -0.583 389 H THR 53 H THR 53 11.507 2.074 1.793 390 HA THR 53 HA THR 53 11.310 4.780 2.367 391 HB THR 53 HB THR 53 11.388 3.087 4.124 392 HG1 THR 53 1HG THR 53 11.975 4.827 5.185 393 HG21 THR 53 1HG2 THR 53 14.208 2.716 3.149 394 HG22 THR 53 2HG2 THR 53 12.956 1.497 3.396 395 HG23 THR 53 3HG2 THR 53 13.727 2.264 4.785 396 H GLN 54 H GLN 54 13.987 2.958 1.044 397 HA GLN 54 HA GLN 54 16.058 4.788 1.483 398 HB2 GLN 54 1HB GLN 54 16.154 2.374 0.576 399 HB3 GLN 54 2HB GLN 54 15.866 3.102 -1.000 400 HG2 GLN 54 1HG GLN 54 18.092 4.077 0.738 401 HG3 GLN 54 2HG GLN 54 18.285 2.626 -0.245 402 HE21 GLN 54 1HE2 GLN 54 17.895 2.848 -2.558 403 HE22 GLN 54 2HE2 GLN 54 18.290 4.342 -3.331 404 H GLN 55 H GLN 55 13.931 4.409 -1.348 405 HA GLN 55 HA GLN 55 14.993 6.676 -2.705 406 HB2 GLN 55 1HB GLN 55 13.927 4.868 -3.937 407 HB3 GLN 55 2HB GLN 55 12.405 5.167 -3.108 408 HG2 GLN 55 1HG GLN 55 12.313 6.088 -5.323 409 HG3 GLN 55 2HG GLN 55 12.306 7.395 -4.140 410 HE21 GLN 55 1HE2 GLN 55 14.117 5.777 -6.620 411 HE22 GLN 55 2HE2 GLN 55 15.337 6.987 -6.805 412 H MET 56 H MET 56 12.328 6.154 -0.490 413 HA MET 56 HA MET 56 11.823 9.056 -0.516 414 HB2 MET 56 1HB MET 56 9.795 6.855 -0.082 415 HB3 MET 56 2HB MET 56 9.468 8.580 0.029 416 HG2 MET 56 1HG MET 56 8.724 8.126 -2.081 417 HG3 MET 56 2HG MET 56 10.382 8.622 -2.409 418 HE1 MET 56 1HE MET 56 8.289 4.722 -2.599 419 HE2 MET 56 2HE MET 56 7.706 6.385 -2.548 420 HE3 MET 56 3HE MET 56 8.196 5.667 -4.084 421 HA PRO 57 HA PRO 57 13.207 7.852 3.714 422 HB2 PRO 57 1HB PRO 57 14.625 10.129 4.129 423 HB3 PRO 57 2HB PRO 57 15.293 8.720 3.298 424 HG2 PRO 57 1HG PRO 57 14.160 11.239 2.143 425 HG3 PRO 57 2HG PRO 57 15.613 10.344 1.664 426 HD2 PRO 57 1HD PRO 57 13.272 10.148 0.318 427 HD3 PRO 57 2HD PRO 57 14.412 8.793 0.453 428 H LYS 58 H LYS 58 11.902 10.886 2.459 429 HA LYS 58 HA LYS 58 11.148 12.077 4.866 430 HB2 LYS 58 1HB LYS 58 9.911 12.242 2.116 431 HB3 LYS 58 2HB LYS 58 9.413 13.257 3.462 432 HG2 LYS 58 1HG LYS 58 12.269 13.153 2.567 433 HG3 LYS 58 2HG LYS 58 11.091 14.209 1.783 434 HD2 LYS 58 1HD LYS 58 11.260 14.271 4.749 435 HD3 LYS 58 2HD LYS 58 12.566 15.025 3.832 436 HE2 LYS 58 1HE LYS 58 9.769 15.647 3.048 437 HE3 LYS 58 2HE LYS 58 10.383 16.358 4.539 438 HZ1 LYS 58 1HZ LYS 58 10.683 17.681 2.416 439 HZ2 LYS 58 2HZ LYS 58 11.873 16.556 1.993 440 HZ3 LYS 58 3HZ LYS 58 12.052 17.491 3.391 441 H VAL 59 H VAL 59 9.622 9.551 2.987 442 HA VAL 59 HA VAL 59 7.179 9.611 4.532 443 HB VAL 59 HB VAL 59 8.157 7.619 2.482 444 HG11 VAL 59 1HG1 VAL 59 6.083 6.562 2.557 445 HG12 VAL 59 2HG1 VAL 59 6.460 6.845 4.258 446 HG13 VAL 59 3HG1 VAL 59 5.324 7.901 3.418 447 HG21 VAL 59 1HG2 VAL 59 7.785 9.736 1.448 448 HG22 VAL 59 2HG2 VAL 59 6.402 8.712 1.064 449 HG23 VAL 59 3HG2 VAL 59 6.260 9.955 2.307 450 H HIS 60 H HIS 60 6.553 8.187 6.105 451 HA HIS 60 HA HIS 60 8.611 6.304 7.059 452 HB2 HIS 60 1HB HIS 60 6.933 8.286 8.512 453 HB3 HIS 60 2HB HIS 60 7.242 6.749 9.314 454 HD1 HIS 60 1HD HIS 60 10.091 6.182 8.882 455 HD2 HIS 60 2HD HIS 60 8.723 10.062 9.454 456 HE1 HIS 60 1HE HIS 60 12.088 7.488 9.676 457 H ILE 61 H ILE 61 7.987 4.292 6.658 458 HA ILE 61 HA ILE 61 5.187 3.609 6.408 459 HB ILE 61 HB ILE 61 7.598 1.797 6.242 460 HG12 ILE 61 1HG1 ILE 61 6.052 2.842 3.887 461 HG13 ILE 61 2HG1 ILE 61 7.362 3.792 4.583 462 HG21 ILE 61 1HG2 ILE 61 5.517 0.819 4.666 463 HG22 ILE 61 2HG2 ILE 61 6.090 0.166 6.200 464 HG23 ILE 61 3HG2 ILE 61 4.756 1.320 6.176 465 HD11 ILE 61 1HD1 ILE 61 7.578 1.015 3.445 466 HD12 ILE 61 2HD1 ILE 61 8.163 2.507 2.708 467 HD13 ILE 61 3HD1 ILE 61 8.896 1.913 4.198 468 H GLU 62 H GLU 62 3.949 2.827 7.977 469 HA GLU 62 HA GLU 62 5.252 1.592 10.313 470 HB2 GLU 62 1HB GLU 62 4.429 3.813 10.906 471 HB3 GLU 62 2HB GLU 62 2.832 3.404 10.296 472 HG2 GLU 62 1HG GLU 62 2.347 2.038 12.078 473 HG3 GLU 62 2HG GLU 62 4.045 1.738 12.446 474 H PHE 63 H PHE 63 4.391 -0.276 11.072 475 HA PHE 63 HA PHE 63 2.013 -1.306 9.671 476 HB2 PHE 63 1HB PHE 63 4.623 -2.569 10.335 477 HB3 PHE 63 2HB PHE 63 3.186 -3.582 10.440 478 HD1 PHE 63 2HD PHE 63 1.739 -3.854 8.414 479 HD2 PHE 63 1HD PHE 63 5.573 -2.010 8.262 480 HE1 PHE 63 2HE PHE 63 1.807 -4.204 5.981 481 HE2 PHE 63 1HE PHE 63 5.646 -2.357 5.828 482 HZ PHE 63 HZ PHE 63 3.763 -3.457 4.683 483 H THR 64 H THR 64 0.352 -2.025 10.866 484 HA THR 64 HA THR 64 0.632 -1.884 13.782 485 HB THR 64 HB THR 64 -1.917 -1.984 13.717 486 HG1 THR 64 1HG THR 64 -1.551 -1.236 11.000 487 HG21 THR 64 1HG2 THR 64 -2.073 0.323 13.562 488 HG22 THR 64 2HG2 THR 64 -0.919 0.414 12.232 489 HG23 THR 64 3HG2 THR 64 -0.352 0.095 13.870 490 H GLU 65 H GLU 65 0.727 -3.684 14.947 491 HA GLU 65 HA GLU 65 0.215 -6.245 13.683 492 HB2 GLU 65 1HB GLU 65 1.176 -7.209 15.718 493 HB3 GLU 65 2HB GLU 65 2.227 -5.972 15.045 494 HG2 GLU 65 1HG GLU 65 1.379 -4.370 16.698 495 HG3 GLU 65 2HG GLU 65 0.373 -5.640 17.391 496 H GLY 66 H GLY 66 -2.110 -4.743 13.971 497 HA2 GLY 66 1HA GLY 66 -3.788 -6.597 15.310 498 HA3 GLY 66 2HA GLY 66 -3.605 -5.142 16.279 499 H GLU 67 H GLU 67 -3.466 -3.258 14.182 500 HA GLU 67 HA GLU 67 -6.253 -2.935 13.653 501 HB2 GLU 67 1HB GLU 67 -3.791 -1.377 12.908 502 HB3 GLU 67 2HB GLU 67 -5.369 -0.947 12.265 503 HG2 GLU 67 1HG GLU 67 -6.168 -0.257 14.300 504 HG3 GLU 67 2HG GLU 67 -5.047 -1.273 15.205 505 H ASP 68 H ASP 68 -3.664 -4.425 11.995 506 HA ASP 68 HA ASP 68 -3.490 -5.459 9.977 507 HB2 ASP 68 1HB ASP 68 -6.483 -5.229 9.720 508 HB3 ASP 68 2HB ASP 68 -5.425 -6.480 9.073 509 H LYS 69 H LYS 69 -2.947 -2.817 9.866 510 HA LYS 69 HA LYS 69 -3.624 -2.189 7.130 511 HB2 LYS 69 1HB LYS 69 -4.671 -0.109 7.483 512 HB3 LYS 69 2HB LYS 69 -5.467 -1.208 8.600 513 HG2 LYS 69 1HG LYS 69 -4.370 -0.297 10.458 514 HG3 LYS 69 2HG LYS 69 -3.169 0.519 9.454 515 HD2 LYS 69 1HD LYS 69 -4.826 2.058 8.632 516 HD3 LYS 69 2HD LYS 69 -6.113 1.177 9.458 517 HE2 LYS 69 1HE LYS 69 -4.970 1.699 11.619 518 HE3 LYS 69 2HE LYS 69 -3.857 2.729 10.720 519 HZ1 LYS 69 1HZ LYS 69 -5.362 4.305 11.175 520 HZ2 LYS 69 2HZ LYS 69 -6.609 3.202 11.474 521 HZ3 LYS 69 3HZ LYS 69 -6.232 3.642 9.885 522 H ILE 70 H ILE 70 -2.395 -0.304 6.327 523 HA ILE 70 HA ILE 70 0.150 -0.046 7.785 524 HB ILE 70 HB ILE 70 -0.300 0.403 4.835 525 HG12 ILE 70 1HG1 ILE 70 1.031 -1.995 6.087 526 HG13 ILE 70 2HG1 ILE 70 -0.683 -1.979 5.687 527 HG21 ILE 70 1HG2 ILE 70 2.270 -0.029 4.944 528 HG22 ILE 70 2HG2 ILE 70 1.624 1.561 5.349 529 HG23 ILE 70 3HG2 ILE 70 2.082 0.442 6.633 530 HD11 ILE 70 1HD1 ILE 70 1.550 -1.527 3.724 531 HD12 ILE 70 2HD1 ILE 70 0.693 -3.050 3.963 532 HD13 ILE 70 3HD1 ILE 70 -0.171 -1.637 3.357 533 H THR 71 H THR 71 0.723 1.886 8.531 534 HA THR 71 HA THR 71 -0.835 4.226 7.677 535 HB THR 71 HB THR 71 0.467 5.166 9.821 536 HG1 THR 71 1HG THR 71 -0.046 2.560 10.724 537 HG21 THR 71 1HG2 THR 71 -1.909 3.391 10.280 538 HG22 THR 71 2HG2 THR 71 -2.048 4.864 9.320 539 HG23 THR 71 3HG2 THR 71 -1.535 4.955 11.004 540 H LEU 72 H LEU 72 0.134 6.059 6.913 541 HA LEU 72 HA LEU 72 3.054 5.946 6.527 542 HB2 LEU 72 1HB LEU 72 0.861 6.697 4.641 543 HB3 LEU 72 2HB LEU 72 2.461 7.412 4.457 544 HG LEU 72 HG LEU 72 2.151 5.510 2.962 545 HD11 LEU 72 1HD1 LEU 72 4.231 4.573 3.297 546 HD12 LEU 72 2HD1 LEU 72 4.062 4.563 5.053 547 HD13 LEU 72 3HD1 LEU 72 4.360 6.080 4.205 548 HD21 LEU 72 1HD2 LEU 72 0.836 4.371 5.153 549 HD22 LEU 72 2HD2 LEU 72 2.286 3.397 4.908 550 HD23 LEU 72 3HD2 LEU 72 1.145 3.629 3.582 551 H GLU 73 H GLU 73 4.202 7.877 6.684 552 HA GLU 73 HA GLU 73 2.697 10.226 7.609 553 HB2 GLU 73 1HB GLU 73 3.505 9.267 9.628 554 HB3 GLU 73 2HB GLU 73 5.085 8.945 8.928 555 HG2 GLU 73 1HG GLU 73 5.247 11.504 8.676 556 HG3 GLU 73 2HG GLU 73 3.927 11.542 9.843 557 H GLY 74 H GLY 74 3.194 11.991 6.492 558 HA2 GLY 74 1HA GLY 74 5.543 13.163 5.952 559 HA3 GLY 74 2HA GLY 74 5.470 11.944 4.688 560 HA PRO 75 HA PRO 75 3.368 15.853 3.237 561 HB2 PRO 75 1HB PRO 75 4.816 16.097 0.953 562 HB3 PRO 75 2HB PRO 75 5.330 16.791 2.495 563 HG2 PRO 75 1HG PRO 75 6.200 14.247 1.177 564 HG3 PRO 75 2HG PRO 75 7.181 15.470 2.006 565 HD2 PRO 75 1HD PRO 75 6.445 13.147 3.187 566 HD3 PRO 75 2HD PRO 75 6.654 14.656 4.098 567 H THR 76 H THR 76 1.540 15.626 2.117 568 HA THR 76 HA THR 76 0.501 13.371 1.068 569 HB THR 76 HB THR 76 0.061 16.115 -0.127 570 HG1 THR 76 1HG THR 76 -0.928 14.823 2.181 571 HG21 THR 76 1HG2 THR 76 -0.997 14.666 -1.596 572 HG22 THR 76 2HG2 THR 76 -2.284 15.030 -0.446 573 HG23 THR 76 3HG2 THR 76 -1.399 13.510 -0.328 574 H GLU 77 H GLU 77 2.566 15.661 -0.670 575 HA GLU 77 HA GLU 77 2.391 14.643 -3.231 576 HB2 GLU 77 1HB GLU 77 4.352 15.808 -3.721 577 HB3 GLU 77 2HB GLU 77 3.699 16.683 -2.342 578 HG2 GLU 77 1HG GLU 77 5.222 15.370 -0.875 579 HG3 GLU 77 2HG GLU 77 5.950 14.690 -2.330 580 H ASP 78 H ASP 78 4.490 13.583 -0.579 581 HA ASP 78 HA ASP 78 5.630 11.457 -2.172 582 HB2 ASP 78 1HB ASP 78 5.960 12.321 0.696 583 HB3 ASP 78 2HB ASP 78 6.683 10.835 0.084 584 H VAL 79 H VAL 79 3.383 11.752 0.551 585 HA VAL 79 HA VAL 79 2.967 9.132 1.219 586 HB VAL 79 HB VAL 79 0.796 11.217 0.960 587 HG11 VAL 79 1HG1 VAL 79 -0.306 9.925 2.748 588 HG12 VAL 79 2HG1 VAL 79 -0.116 8.995 1.261 589 HG13 VAL 79 3HG1 VAL 79 0.963 8.708 2.625 590 HG21 VAL 79 1HG2 VAL 79 1.465 12.166 2.901 591 HG22 VAL 79 2HG2 VAL 79 2.054 10.644 3.570 592 HG23 VAL 79 3HG2 VAL 79 3.035 11.535 2.407 593 H SER 80 H SER 80 1.508 10.909 -1.477 594 HA SER 80 HA SER 80 -0.181 8.813 -2.345 595 HB2 SER 80 1HB SER 80 -0.530 11.161 -3.003 596 HB3 SER 80 2HB SER 80 0.965 11.122 -3.936 597 HG SER 80 HG SER 80 -1.510 10.231 -4.602 598 H VAL 81 H VAL 81 3.185 9.446 -2.752 599 HA VAL 81 HA VAL 81 3.482 7.679 -5.028 600 HB VAL 81 HB VAL 81 5.623 8.955 -3.321 601 HG11 VAL 81 1HG1 VAL 81 5.783 7.745 -6.079 602 HG12 VAL 81 2HG1 VAL 81 7.110 8.481 -5.179 603 HG13 VAL 81 3HG1 VAL 81 6.369 6.990 -4.598 604 HG21 VAL 81 1HG2 VAL 81 3.835 10.098 -5.243 605 HG22 VAL 81 2HG2 VAL 81 5.101 10.882 -4.298 606 HG23 VAL 81 3HG2 VAL 81 5.486 10.160 -5.860 607 H ALA 82 H ALA 82 4.641 7.714 -1.656 608 HA ALA 82 HA ALA 82 5.742 5.131 -1.682 609 HB1 ALA 82 1HB ALA 82 6.421 6.563 0.055 610 HB2 ALA 82 2HB ALA 82 4.758 6.888 0.550 611 HB3 ALA 82 3HB ALA 82 5.470 5.300 0.839 612 H GLN 83 H GLN 83 2.551 6.277 -0.604 613 HA GLN 83 HA GLN 83 1.555 3.815 0.267 614 HB2 GLN 83 1HB GLN 83 -0.515 4.847 0.415 615 HB3 GLN 83 2HB GLN 83 0.584 6.218 0.499 616 HG2 GLN 83 1HG GLN 83 0.169 6.791 -1.772 617 HG3 GLN 83 2HG GLN 83 -0.724 5.295 -2.044 618 HE21 GLN 83 1HE2 GLN 83 -2.832 5.144 -1.405 619 HE22 GLN 83 2HE2 GLN 83 -3.747 6.489 -0.821 620 H GLU 84 H GLU 84 1.588 5.294 -2.933 621 HA GLU 84 HA GLU 84 -0.087 3.408 -4.203 622 HB2 GLU 84 1HB GLU 84 0.440 5.607 -5.173 623 HB3 GLU 84 2HB GLU 84 2.112 5.110 -5.389 624 HG2 GLU 84 1HG GLU 84 1.490 3.467 -7.005 625 HG3 GLU 84 2HG GLU 84 -0.223 3.728 -6.683 626 H GLN 85 H GLN 85 3.440 3.615 -3.876 627 HA GLN 85 HA GLN 85 4.108 1.401 -5.441 628 HB2 GLN 85 1HB GLN 85 5.447 2.831 -3.178 629 HB3 GLN 85 2HB GLN 85 6.136 1.328 -3.776 630 HG2 GLN 85 1HG GLN 85 6.099 2.377 -6.074 631 HG3 GLN 85 2HG GLN 85 5.731 3.901 -5.266 632 HE21 GLN 85 1HE2 GLN 85 7.765 4.521 -6.339 633 HE22 GLN 85 2HE2 GLN 85 9.251 4.214 -5.513 634 H ILE 86 H ILE 86 3.321 1.621 -1.996 635 HA ILE 86 HA ILE 86 3.840 -1.069 -1.350 636 HB ILE 86 HB ILE 86 1.943 0.897 -0.067 637 HG12 ILE 86 1HG1 ILE 86 4.666 -0.029 0.860 638 HG13 ILE 86 2HG1 ILE 86 4.416 1.426 -0.099 639 HG21 ILE 86 1HG2 ILE 86 2.328 -0.725 1.928 640 HG22 ILE 86 2HG2 ILE 86 1.124 -1.120 0.702 641 HG23 ILE 86 3HG2 ILE 86 2.707 -1.896 0.666 642 HD11 ILE 86 1HD1 ILE 86 2.792 1.185 2.347 643 HD12 ILE 86 2HD1 ILE 86 4.527 1.417 2.567 644 HD13 ILE 86 3HD1 ILE 86 3.590 2.590 1.641 645 H GLU 87 H GLU 87 0.845 0.576 -2.317 646 HA GLU 87 HA GLU 87 -0.905 -1.573 -2.070 647 HB2 GLU 87 1HB GLU 87 -0.886 0.850 -3.848 648 HB3 GLU 87 2HB GLU 87 -2.158 -0.355 -3.984 649 HG2 GLU 87 1HG GLU 87 -2.329 0.012 -1.387 650 HG3 GLU 87 2HG GLU 87 -1.584 1.559 -1.788 651 H GLY 88 H GLY 88 1.328 -0.739 -4.653 652 HA2 GLY 88 1HA GLY 88 0.352 -2.534 -6.601 653 HA3 GLY 88 2HA GLY 88 1.977 -1.870 -6.542 654 H MET 89 H MET 89 2.938 -2.899 -4.188 655 HA MET 89 HA MET 89 3.566 -5.567 -4.966 656 HB2 MET 89 1HB MET 89 5.051 -5.600 -3.113 657 HB3 MET 89 2HB MET 89 5.104 -3.965 -3.758 658 HG2 MET 89 1HG MET 89 4.058 -3.062 -1.942 659 HG3 MET 89 2HG MET 89 3.201 -4.552 -1.556 660 HE1 MET 89 1HE MET 89 6.221 -2.318 -0.340 661 HE2 MET 89 2HE MET 89 4.576 -2.489 0.272 662 HE3 MET 89 3HE MET 89 5.935 -3.119 1.205 663 H VAL 90 H VAL 90 1.306 -4.128 -2.740 664 HA VAL 90 HA VAL 90 0.771 -6.460 -1.204 665 HB VAL 90 HB VAL 90 -0.930 -4.008 -1.666 666 HG11 VAL 90 1HG1 VAL 90 -2.530 -5.377 -0.835 667 HG12 VAL 90 2HG1 VAL 90 -1.364 -6.469 -0.089 668 HG13 VAL 90 3HG1 VAL 90 -1.772 -4.943 0.696 669 HG21 VAL 90 1HG2 VAL 90 0.417 -2.971 -0.238 670 HG22 VAL 90 2HG2 VAL 90 0.132 -4.223 0.970 671 HG23 VAL 90 3HG2 VAL 90 1.451 -4.399 -0.187 672 H LYS 91 H LYS 91 -1.197 -4.834 -3.700 673 HA LYS 91 HA LYS 91 -3.221 -6.633 -3.984 674 HB2 LYS 91 1HB LYS 91 -2.582 -4.416 -5.302 675 HB3 LYS 91 2HB LYS 91 -2.015 -5.575 -6.498 676 HG2 LYS 91 1HG LYS 91 -4.143 -5.313 -7.231 677 HG3 LYS 91 2HG LYS 91 -4.411 -6.621 -6.076 678 HD2 LYS 91 1HD LYS 91 -4.582 -3.811 -5.107 679 HD3 LYS 91 2HD LYS 91 -5.915 -4.454 -6.069 680 HE2 LYS 91 1HE LYS 91 -6.003 -6.391 -4.483 681 HE3 LYS 91 2HE LYS 91 -4.827 -5.546 -3.479 682 HZ1 LYS 91 1HZ LYS 91 -6.345 -3.838 -3.029 683 HZ2 LYS 91 2HZ LYS 91 -7.245 -5.261 -2.873 684 HZ3 LYS 91 3HZ LYS 91 -7.398 -4.312 -4.265 685 H ASP 92 H ASP 92 0.016 -6.860 -5.382 686 HA ASP 92 HA ASP 92 -0.448 -9.165 -6.942 687 HB2 ASP 92 1HB ASP 92 1.499 -7.648 -7.230 688 HB3 ASP 92 2HB ASP 92 2.157 -8.248 -5.710 689 H LEU 93 H LEU 93 0.717 -8.729 -3.630 690 HA LEU 93 HA LEU 93 1.412 -11.355 -3.047 691 HB2 LEU 93 1HB LEU 93 0.302 -9.156 -1.325 692 HB3 LEU 93 2HB LEU 93 0.784 -10.719 -0.666 693 HG LEU 93 HG LEU 93 2.688 -8.975 -2.210 694 HD11 LEU 93 1HD1 LEU 93 3.080 -7.650 -0.460 695 HD12 LEU 93 2HD1 LEU 93 2.988 -8.985 0.688 696 HD13 LEU 93 3HD1 LEU 93 1.512 -8.189 0.140 697 HD21 LEU 93 1HD2 LEU 93 3.984 -10.764 -1.975 698 HD22 LEU 93 2HD2 LEU 93 2.793 -11.565 -0.950 699 HD23 LEU 93 3HD2 LEU 93 3.975 -10.468 -0.237 700 H ILE 94 H ILE 94 -1.738 -9.815 -3.134 701 HA ILE 94 HA ILE 94 -3.075 -12.133 -2.022 702 HB ILE 94 HB ILE 94 -4.184 -9.580 -3.195 703 HG12 ILE 94 1HG1 ILE 94 -4.127 -10.504 -0.318 704 HG13 ILE 94 2HG1 ILE 94 -2.904 -9.450 -1.019 705 HG21 ILE 94 1HG2 ILE 94 -5.600 -11.851 -1.806 706 HG22 ILE 94 2HG2 ILE 94 -6.328 -10.296 -2.210 707 HG23 ILE 94 3HG2 ILE 94 -5.778 -11.373 -3.495 708 HD11 ILE 94 1HD1 ILE 94 -4.630 -7.789 -1.511 709 HD12 ILE 94 2HD1 ILE 94 -5.841 -8.843 -0.780 710 HD13 ILE 94 3HD1 ILE 94 -4.546 -8.170 0.210 711 H ASN 95 H ASN 95 -3.020 -10.425 -5.148 712 HA ASN 95 HA ASN 95 -4.727 -12.041 -6.585 713 HB2 ASN 95 1HB ASN 95 -2.253 -10.536 -7.424 714 HB3 ASN 95 2HB ASN 95 -3.255 -11.401 -8.585 715 HD21 ASN 95 1HD2 ASN 95 -2.633 -8.465 -7.818 716 HD22 ASN 95 2HD2 ASN 95 -4.193 -7.724 -7.857 717 H ARG 96 H ARG 96 -1.257 -12.494 -6.010 718 HA ARG 96 HA ARG 96 -0.829 -14.719 -7.613 719 HB2 ARG 96 1HB ARG 96 1.096 -15.193 -6.210 720 HB3 ARG 96 2HB ARG 96 0.961 -13.459 -6.472 721 HG2 ARG 96 1HG ARG 96 0.335 -13.043 -4.290 722 HG3 ARG 96 2HG ARG 96 -0.227 -14.695 -4.029 723 HD2 ARG 96 1HD ARG 96 1.768 -14.606 -2.834 724 HD3 ARG 96 2HD ARG 96 2.235 -15.359 -4.358 725 HE ARG 96 HE ARG 96 2.551 -12.487 -4.261 726 HH11 ARG 96 1HH1 ARG 96 4.034 -15.596 -3.756 727 HH12 ARG 96 2HH1 ARG 96 5.651 -14.995 -3.909 728 HH21 ARG 96 1HH2 ARG 96 4.675 -11.684 -4.465 729 HH22 ARG 96 2HH2 ARG 96 6.016 -12.770 -4.311 730 H SER 97 H SER 97 -2.517 -14.442 -4.608 731 HA SER 97 HA SER 97 -2.471 -17.292 -4.078 732 HB2 SER 97 1HB SER 97 -2.465 -15.517 -2.266 733 HB3 SER 97 2HB SER 97 -4.148 -15.198 -2.685 734 HG SER 97 HG SER 97 -4.711 -17.196 -1.992 735 H GLY 98 H GLY 98 -4.923 -14.842 -4.903 736 HA2 GLY 98 1HA GLY 98 -6.481 -16.974 -6.197 737 HA3 GLY 98 2HA GLY 98 -7.269 -15.929 -5.025 738 HA PRO 99 HA PRO 99 -6.908 -14.055 -9.457 739 HB2 PRO 99 1HB PRO 99 -9.105 -15.087 -10.672 740 HB3 PRO 99 2HB PRO 99 -7.509 -15.838 -10.774 741 HG2 PRO 99 1HG PRO 99 -9.820 -16.536 -9.005 742 HG3 PRO 99 2HG PRO 99 -8.737 -17.612 -9.907 743 HD2 PRO 99 1HD PRO 99 -8.453 -17.147 -7.254 744 HD3 PRO 99 2HD PRO 99 -7.070 -17.469 -8.320 745 H SER 100 H SER 100 -7.627 -12.040 -9.230 746 HA SER 100 HA SER 100 -10.415 -11.623 -8.383 747 HB2 SER 100 1HB SER 100 -7.910 -10.360 -7.338 748 HB3 SER 100 2HB SER 100 -9.398 -9.415 -7.369 749 HG SER 100 HG SER 100 -8.904 -10.732 -5.413 750 H SER 101 H SER 101 -11.256 -9.453 -8.992 751 HA SER 101 HA SER 101 -10.078 -8.553 -11.540 752 HB2 SER 101 1HB SER 101 -12.895 -9.170 -10.783 753 HB3 SER 101 2HB SER 101 -12.620 -7.834 -11.901 754 HG SER 101 HG SER 101 -12.700 -10.371 -12.490 755 H GLY 102 H GLY 102 -9.297 -6.562 -11.424 756 HA2 GLY 102 1HA GLY 102 -8.954 -4.394 -10.748 757 HA3 GLY 102 2HA GLY 102 -10.707 -4.300 -10.676 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 18.972 17.259 18.093 2 HA2 GLY 1 1HA GLY 1 19.617 14.699 17.644 3 HA3 GLY 1 2HA GLY 1 21.114 15.311 18.331 4 H SER 2 H SER 2 18.351 13.726 19.066 5 HA SER 2 HA SER 2 18.632 14.381 21.905 6 HB2 SER 2 1HB SER 2 16.168 14.699 20.255 7 HB3 SER 2 2HB SER 2 15.984 14.086 21.899 8 HG SER 2 HG SER 2 16.148 16.086 22.492 9 H SER 3 H SER 3 18.190 12.691 23.305 10 HA SER 3 HA SER 3 17.634 10.093 22.027 11 HB2 SER 3 1HB SER 3 19.717 10.893 24.010 12 HB3 SER 3 2HB SER 3 19.031 9.274 24.133 13 HG SER 3 HG SER 3 20.849 10.212 22.392 14 H GLY 4 H GLY 4 16.281 8.671 23.084 15 HA2 GLY 4 1HA GLY 4 14.766 7.914 24.660 16 HA3 GLY 4 2HA GLY 4 15.333 9.172 25.749 17 H SER 5 H SER 5 12.621 8.398 25.396 18 HA SER 5 HA SER 5 11.505 10.796 24.097 19 HB2 SER 5 1HB SER 5 9.394 9.504 23.888 20 HB3 SER 5 2HB SER 5 10.735 8.749 23.025 21 HG SER 5 HG SER 5 10.992 7.403 24.929 22 H SER 6 H SER 6 11.242 8.651 26.899 23 HA SER 6 HA SER 6 10.328 8.932 28.968 24 HB2 SER 6 1HB SER 6 11.312 11.718 28.350 25 HB3 SER 6 2HB SER 6 10.620 11.288 29.914 26 HG SER 6 HG SER 6 13.074 11.054 29.332 27 H GLY 7 H GLY 7 8.391 8.771 27.070 28 HA2 GLY 7 1HA GLY 7 6.227 10.170 28.335 29 HA3 GLY 7 2HA GLY 7 6.562 10.775 26.718 30 H GLU 8 H GLU 8 5.468 9.855 25.122 31 HA GLU 8 HA GLU 8 3.925 8.484 24.118 32 HB2 GLU 8 1HB GLU 8 6.209 7.422 23.755 33 HB3 GLU 8 2HB GLU 8 5.782 6.293 25.033 34 HG2 GLU 8 1HG GLU 8 3.879 5.519 23.745 35 HG3 GLU 8 2HG GLU 8 4.244 6.685 22.476 36 HA PRO 9 HA PRO 9 2.226 7.002 28.285 37 HB2 PRO 9 1HB PRO 9 0.295 8.891 28.556 38 HB3 PRO 9 2HB PRO 9 1.933 9.093 29.190 39 HG2 PRO 9 1HG PRO 9 0.734 10.162 26.663 40 HG3 PRO 9 2HG PRO 9 1.787 10.977 27.835 41 HD2 PRO 9 1HD PRO 9 2.714 9.967 25.500 42 HD3 PRO 9 2HD PRO 9 3.699 10.017 26.976 43 H GLU 10 H GLU 10 -0.354 6.867 28.677 44 HA GLU 10 HA GLU 10 -1.323 5.314 26.453 45 HB2 GLU 10 1HB GLU 10 -2.467 5.941 29.174 46 HB3 GLU 10 2HB GLU 10 -3.315 4.965 27.983 47 HG2 GLU 10 1HG GLU 10 -2.154 3.587 29.621 48 HG3 GLU 10 2HG GLU 10 -1.518 3.339 27.996 49 H LYS 11 H LYS 11 -2.434 6.117 24.813 50 HA LYS 11 HA LYS 11 -4.640 7.872 25.143 51 HB2 LYS 11 1HB LYS 11 -2.421 9.317 25.263 52 HB3 LYS 11 2HB LYS 11 -2.503 9.170 23.513 53 HG2 LYS 11 1HG LYS 11 -3.612 11.155 23.926 54 HG3 LYS 11 2HG LYS 11 -4.930 9.991 23.775 55 HD2 LYS 11 1HD LYS 11 -5.220 9.886 26.132 56 HD3 LYS 11 2HD LYS 11 -3.719 10.769 26.420 57 HE2 LYS 11 1HE LYS 11 -5.297 12.420 26.733 58 HE3 LYS 11 2HE LYS 11 -4.883 12.644 25.034 59 HZ1 LYS 11 1HZ LYS 11 -7.339 12.591 25.687 60 HZ2 LYS 11 2HZ LYS 11 -7.141 10.918 25.828 61 HZ3 LYS 11 3HZ LYS 11 -6.859 11.679 24.344 62 H LEU 12 H LEU 12 -5.888 8.050 23.271 63 HA LEU 12 HA LEU 12 -4.971 6.377 21.026 64 HB2 LEU 12 1HB LEU 12 -7.395 6.013 20.574 65 HB3 LEU 12 2HB LEU 12 -6.816 5.329 22.092 66 HG LEU 12 HG LEU 12 -8.081 8.022 22.161 67 HD11 LEU 12 1HD1 LEU 12 -9.385 5.715 21.065 68 HD12 LEU 12 2HD1 LEU 12 -10.005 7.351 21.289 69 HD13 LEU 12 3HD1 LEU 12 -10.139 6.171 22.593 70 HD21 LEU 12 1HD2 LEU 12 -7.053 6.829 24.134 71 HD22 LEU 12 2HD2 LEU 12 -8.373 5.665 24.009 72 HD23 LEU 12 3HD2 LEU 12 -8.721 7.362 24.340 73 H GLY 13 H GLY 13 -6.438 9.405 21.972 74 HA2 GLY 13 1HA GLY 13 -6.742 11.366 20.816 75 HA3 GLY 13 2HA GLY 13 -5.614 10.734 19.627 76 H GLN 14 H GLN 14 -8.214 12.249 19.425 77 HA GLN 14 HA GLN 14 -9.197 10.918 17.116 78 HB2 GLN 14 1HB GLN 14 -11.435 10.379 17.866 79 HB3 GLN 14 2HB GLN 14 -10.263 9.520 18.857 80 HG2 GLN 14 1HG GLN 14 -10.521 11.498 20.485 81 HG3 GLN 14 2HG GLN 14 -11.991 11.851 19.578 82 HE21 GLN 14 1HE2 GLN 14 -13.600 10.153 19.443 83 HE22 GLN 14 2HE2 GLN 14 -13.766 9.039 20.753 84 H ALA 15 H ALA 15 -10.704 12.177 15.941 85 HA ALA 15 HA ALA 15 -11.791 14.603 16.968 86 HB1 ALA 15 1HB ALA 15 -9.111 14.705 15.956 87 HB2 ALA 15 2HB ALA 15 -10.179 15.662 14.929 88 HB3 ALA 15 3HB ALA 15 -10.090 15.993 16.660 89 H LEU 16 H LEU 16 -13.385 15.383 15.663 90 HA LEU 16 HA LEU 16 -13.778 13.977 13.108 91 HB2 LEU 16 1HB LEU 16 -15.799 15.259 14.940 92 HB3 LEU 16 2HB LEU 16 -16.171 14.505 13.391 93 HG LEU 16 HG LEU 16 -14.870 12.937 15.591 94 HD11 LEU 16 1HD1 LEU 16 -17.193 12.183 16.180 95 HD12 LEU 16 2HD1 LEU 16 -17.795 13.564 15.263 96 HD13 LEU 16 3HD1 LEU 16 -16.781 13.822 16.683 97 HD21 LEU 16 1HD2 LEU 16 -15.178 11.198 14.233 98 HD22 LEU 16 2HD2 LEU 16 -15.525 12.375 12.966 99 HD23 LEU 16 3HD2 LEU 16 -16.846 11.659 13.892 100 H THR 17 H THR 17 -13.163 15.200 11.452 101 HA THR 17 HA THR 17 -14.107 17.981 11.353 102 HB THR 17 HB THR 17 -11.996 18.695 10.307 103 HG1 THR 17 1HG THR 17 -10.962 16.159 11.087 104 HG21 THR 17 1HG2 THR 17 -11.062 19.179 12.301 105 HG22 THR 17 2HG2 THR 17 -10.957 17.484 12.777 106 HG23 THR 17 3HG2 THR 17 -12.475 18.360 12.963 107 H GLU 18 H GLU 18 -14.595 18.771 9.298 108 HA GLU 18 HA GLU 18 -15.814 17.188 7.484 109 HB2 GLU 18 1HB GLU 18 -15.614 18.955 5.864 110 HB3 GLU 18 2HB GLU 18 -15.802 19.678 7.455 111 HG2 GLU 18 1HG GLU 18 -13.047 19.239 6.450 112 HG3 GLU 18 2HG GLU 18 -14.001 20.533 5.725 113 H VAL 19 H VAL 19 -15.292 16.270 5.451 114 HA VAL 19 HA VAL 19 -12.547 15.260 5.336 115 HB VAL 19 HB VAL 19 -14.966 14.335 3.781 116 HG11 VAL 19 1HG1 VAL 19 -12.161 13.749 3.578 117 HG12 VAL 19 2HG1 VAL 19 -13.060 12.297 4.018 118 HG13 VAL 19 3HG1 VAL 19 -13.495 13.199 2.565 119 HG21 VAL 19 1HG2 VAL 19 -15.487 12.866 5.422 120 HG22 VAL 19 2HG2 VAL 19 -13.809 12.662 5.925 121 HG23 VAL 19 3HG2 VAL 19 -14.719 14.082 6.441 122 H TYR 20 H TYR 20 -13.812 17.926 4.288 123 HA TYR 20 HA TYR 20 -12.705 17.734 1.564 124 HB2 TYR 20 1HB TYR 20 -14.198 19.434 0.857 125 HB3 TYR 20 2HB TYR 20 -15.167 18.328 1.824 126 HD1 TYR 20 1HD TYR 20 -13.535 21.635 1.785 127 HD2 TYR 20 2HD TYR 20 -16.193 19.040 3.860 128 HE1 TYR 20 1HE TYR 20 -14.258 23.514 3.197 129 HE2 TYR 20 2HE TYR 20 -16.924 20.913 5.276 130 HH TYR 20 HH TYR 20 -16.697 23.898 4.643 131 H ALA 21 H ALA 21 -12.093 18.881 4.619 132 HA ALA 21 HA ALA 21 -9.890 20.484 3.700 133 HB1 ALA 21 1HB ALA 21 -10.631 22.556 4.079 134 HB2 ALA 21 2HB ALA 21 -12.247 21.849 4.029 135 HB3 ALA 21 3HB ALA 21 -11.437 22.089 5.577 136 H LYS 22 H LYS 22 -8.590 21.322 5.559 137 HA LYS 22 HA LYS 22 -9.035 20.458 8.202 138 HB2 LYS 22 1HB LYS 22 -7.295 18.688 8.327 139 HB3 LYS 22 2HB LYS 22 -8.688 18.222 7.360 140 HG2 LYS 22 1HG LYS 22 -7.395 18.828 5.322 141 HG3 LYS 22 2HG LYS 22 -5.989 19.096 6.356 142 HD2 LYS 22 1HD LYS 22 -5.843 16.833 6.937 143 HD3 LYS 22 2HD LYS 22 -7.493 16.499 6.406 144 HE2 LYS 22 1HE LYS 22 -6.011 15.571 4.786 145 HE3 LYS 22 2HE LYS 22 -6.754 17.001 4.071 146 HZ1 LYS 22 1HZ LYS 22 -4.667 18.195 4.903 147 HZ2 LYS 22 2HZ LYS 22 -4.524 17.210 3.536 148 HZ3 LYS 22 3HZ LYS 22 -3.990 16.651 5.041 149 H ALA 23 H ALA 23 -7.219 20.909 9.617 150 HA ALA 23 HA ALA 23 -5.310 22.791 8.390 151 HB1 ALA 23 1HB ALA 23 -5.234 23.897 10.610 152 HB2 ALA 23 2HB ALA 23 -6.825 23.954 9.849 153 HB3 ALA 23 3HB ALA 23 -6.510 22.810 11.155 154 H ASN 24 H ASN 24 -3.705 21.250 7.992 155 HA ASN 24 HA ASN 24 -1.875 20.805 10.086 156 HB2 ASN 24 1HB ASN 24 -3.545 19.096 10.747 157 HB3 ASN 24 2HB ASN 24 -3.355 18.327 9.176 158 HD21 ASN 24 1HD2 ASN 24 -1.196 19.588 11.700 159 HD22 ASN 24 2HD2 ASN 24 -0.192 18.184 11.777 160 H SER 25 H SER 25 0.033 20.858 9.116 161 HA SER 25 HA SER 25 0.328 20.666 6.311 162 HB2 SER 25 1HB SER 25 2.365 20.707 8.545 163 HB3 SER 25 2HB SER 25 2.797 20.745 6.836 164 HG SER 25 HG SER 25 2.311 22.803 8.267 165 H PHE 26 H PHE 26 1.734 18.594 8.856 166 HA PHE 26 HA PHE 26 2.740 16.597 7.254 167 HB2 PHE 26 1HB PHE 26 2.775 16.952 9.869 168 HB3 PHE 26 2HB PHE 26 1.420 15.827 9.824 169 HD1 PHE 26 2HD PHE 26 4.659 16.023 7.980 170 HD2 PHE 26 1HD PHE 26 2.085 13.738 10.484 171 HE1 PHE 26 2HE PHE 26 6.235 14.137 7.873 172 HE2 PHE 26 1HE PHE 26 3.658 11.848 10.381 173 HZ PHE 26 HZ PHE 26 5.735 12.046 9.074 174 H THR 27 H THR 27 1.961 14.833 6.217 175 HA THR 27 HA THR 27 -0.966 14.474 6.228 176 HB THR 27 HB THR 27 0.963 13.855 3.982 177 HG1 THR 27 1HG THR 27 0.739 16.001 3.862 178 HG21 THR 27 1HG2 THR 27 -0.688 12.479 3.331 179 HG22 THR 27 2HG2 THR 27 -1.569 13.954 2.930 180 HG23 THR 27 3HG2 THR 27 -1.833 13.164 4.483 181 H VAL 28 H VAL 28 -1.553 12.709 7.297 182 HA VAL 28 HA VAL 28 0.156 10.313 7.102 183 HB VAL 28 HB VAL 28 -1.671 11.018 9.401 184 HG11 VAL 28 1HG1 VAL 28 -1.039 9.073 10.410 185 HG12 VAL 28 2HG1 VAL 28 -0.945 8.562 8.723 186 HG13 VAL 28 3HG1 VAL 28 0.521 9.023 9.590 187 HG21 VAL 28 1HG2 VAL 28 0.607 11.247 10.596 188 HG22 VAL 28 2HG2 VAL 28 1.261 11.473 8.973 189 HG23 VAL 28 3HG2 VAL 28 0.040 12.585 9.594 190 H SER 29 H SER 29 -0.770 8.956 5.709 191 HA SER 29 HA SER 29 -3.661 8.455 5.979 192 HB2 SER 29 1HB SER 29 -3.692 7.972 3.528 193 HB3 SER 29 2HB SER 29 -3.306 9.652 3.901 194 HG SER 29 HG SER 29 -1.143 9.209 3.504 195 H SER 30 H SER 30 -4.358 6.329 5.755 196 HA SER 30 HA SER 30 -2.222 4.323 6.003 197 HB2 SER 30 1HB SER 30 -3.995 2.908 7.071 198 HB3 SER 30 2HB SER 30 -3.643 4.393 7.954 199 HG SER 30 HG SER 30 -5.897 3.730 6.409 200 H VAL 31 H VAL 31 -2.373 2.348 4.890 201 HA VAL 31 HA VAL 31 -4.176 2.407 2.556 202 HB VAL 31 HB VAL 31 -1.363 1.344 2.780 203 HG11 VAL 31 1HG1 VAL 31 -2.030 -0.258 1.361 204 HG12 VAL 31 2HG1 VAL 31 -3.543 0.570 0.986 205 HG13 VAL 31 3HG1 VAL 31 -2.053 1.032 0.161 206 HG21 VAL 31 1HG2 VAL 31 -0.760 3.266 1.846 207 HG22 VAL 31 2HG2 VAL 31 -1.878 3.001 0.508 208 HG23 VAL 31 3HG2 VAL 31 -2.430 3.824 1.967 209 H ALA 32 H ALA 32 -5.632 0.836 2.479 210 HA ALA 32 HA ALA 32 -5.934 -1.155 4.386 211 HB1 ALA 32 1HB ALA 32 -7.788 -0.476 3.029 212 HB2 ALA 32 2HB ALA 32 -6.980 -1.035 1.563 213 HB3 ALA 32 3HB ALA 32 -7.515 -2.200 2.775 214 H ALA 33 H ALA 33 -4.445 -2.658 4.822 215 HA ALA 33 HA ALA 33 -3.689 -4.511 2.708 216 HB1 ALA 33 1HB ALA 33 -1.843 -3.099 2.484 217 HB2 ALA 33 2HB ALA 33 -1.721 -2.829 4.223 218 HB3 ALA 33 3HB ALA 33 -1.269 -4.391 3.540 219 HA PRO 34 HA PRO 34 -4.325 -7.392 5.982 220 HB2 PRO 34 1HB PRO 34 -3.071 -9.538 4.888 221 HB3 PRO 34 2HB PRO 34 -4.647 -8.958 4.333 222 HG2 PRO 34 1HG PRO 34 -1.931 -8.479 3.166 223 HG3 PRO 34 2HG PRO 34 -3.453 -8.864 2.340 224 HD2 PRO 34 1HD PRO 34 -2.468 -6.346 2.482 225 HD3 PRO 34 2HD PRO 34 -4.210 -6.690 2.451 226 H SER 35 H SER 35 -2.940 -9.157 7.155 227 HA SER 35 HA SER 35 -0.255 -8.054 7.666 228 HB2 SER 35 1HB SER 35 -1.622 -7.433 9.539 229 HB3 SER 35 2HB SER 35 -2.296 -9.059 9.659 230 HG SER 35 HG SER 35 -0.241 -8.158 10.949 231 H TRP 36 H TRP 36 -2.210 -10.798 7.052 232 HA TRP 36 HA TRP 36 -0.633 -12.860 8.095 233 HB2 TRP 36 1HB TRP 36 -1.727 -14.282 6.350 234 HB3 TRP 36 2HB TRP 36 -2.858 -13.323 7.300 235 HD1 TRP 36 HD TRP 36 -4.168 -11.364 6.047 236 HE1 TRP 36 1HE TRP 36 -4.578 -10.885 3.552 237 HE3 TRP 36 3HE TRP 36 -0.636 -14.464 4.035 238 HZ2 TRP 36 2HZ TRP 36 -3.541 -11.711 1.060 239 HZ3 TRP 36 3HZ TRP 36 -0.410 -14.561 1.586 240 HH2 TRP 36 HH TRP 36 -1.833 -13.212 0.131 241 H LEU 37 H LEU 37 -0.072 -10.743 5.464 242 HA LEU 37 HA LEU 37 2.113 -12.461 4.492 243 HB2 LEU 37 1HB LEU 37 2.004 -10.912 2.467 244 HB3 LEU 37 2HB LEU 37 0.714 -12.096 2.671 245 HG LEU 37 HG LEU 37 -0.687 -10.255 3.650 246 HD11 LEU 37 1HD1 LEU 37 1.067 -8.722 4.290 247 HD12 LEU 37 2HD1 LEU 37 -0.007 -7.948 3.125 248 HD13 LEU 37 3HD1 LEU 37 1.569 -8.549 2.608 249 HD21 LEU 37 1HD2 LEU 37 -1.222 -9.270 1.473 250 HD22 LEU 37 2HD2 LEU 37 -0.980 -11.012 1.355 251 HD23 LEU 37 3HD2 LEU 37 0.285 -9.906 0.815 252 H HIS 38 H HIS 38 2.010 -10.497 6.784 253 HA HIS 38 HA HIS 38 3.521 -8.210 6.106 254 HB2 HIS 38 1HB HIS 38 2.798 -9.618 8.625 255 HB3 HIS 38 2HB HIS 38 4.149 -8.491 8.688 256 HD2 HIS 38 2HD HIS 38 2.000 -6.788 6.287 257 HE1 HIS 38 1HE HIS 38 0.359 -5.678 10.039 258 HE2 HIS 38 2HE HIS 38 0.368 -5.235 7.559 259 H ARG 39 H ARG 39 4.429 -11.460 7.124 260 HA ARG 39 HA ARG 39 7.170 -10.976 7.534 261 HB2 ARG 39 1HB ARG 39 7.443 -13.324 7.572 262 HB3 ARG 39 2HB ARG 39 5.836 -13.026 8.219 263 HG2 ARG 39 1HG ARG 39 4.781 -13.831 6.312 264 HG3 ARG 39 2HG ARG 39 6.227 -13.648 5.319 265 HD2 ARG 39 1HD ARG 39 7.307 -15.444 6.632 266 HD3 ARG 39 2HD ARG 39 5.804 -15.657 7.529 267 HE ARG 39 HE ARG 39 6.385 -16.588 4.875 268 HH11 ARG 39 1HH1 ARG 39 3.864 -15.658 7.088 269 HH12 ARG 39 2HH1 ARG 39 2.642 -16.592 6.292 270 HH21 ARG 39 1HH2 ARG 39 4.785 -17.823 3.818 271 HH22 ARG 39 2HH2 ARG 39 3.167 -17.824 4.433 272 H PHE 40 H PHE 40 5.288 -11.339 4.662 273 HA PHE 40 HA PHE 40 7.650 -11.772 3.002 274 HB2 PHE 40 1HB PHE 40 4.711 -12.001 2.601 275 HB3 PHE 40 2HB PHE 40 5.687 -11.594 1.193 276 HD1 PHE 40 2HD PHE 40 8.032 -13.125 1.319 277 HD2 PHE 40 1HD PHE 40 4.130 -14.210 2.624 278 HE1 PHE 40 2HE PHE 40 8.599 -15.502 1.025 279 HE2 PHE 40 1HE PHE 40 4.689 -16.588 2.334 280 HZ PHE 40 HZ PHE 40 6.926 -17.237 1.532 281 H ILE 41 H ILE 41 5.055 -9.400 3.461 282 HA ILE 41 HA ILE 41 5.818 -7.585 1.481 283 HB ILE 41 HB ILE 41 3.715 -7.626 3.034 284 HG12 ILE 41 1HG1 ILE 41 4.838 -4.903 2.413 285 HG13 ILE 41 2HG1 ILE 41 4.378 -6.014 1.128 286 HG21 ILE 41 1HG2 ILE 41 5.331 -5.575 4.518 287 HG22 ILE 41 2HG2 ILE 41 3.752 -6.242 4.932 288 HG23 ILE 41 3HG2 ILE 41 5.196 -7.245 5.069 289 HD11 ILE 41 1HD1 ILE 41 2.378 -5.048 1.286 290 HD12 ILE 41 2HD1 ILE 41 2.170 -6.049 2.724 291 HD13 ILE 41 3HD1 ILE 41 2.722 -4.382 2.882 292 H ILE 42 H ILE 42 6.958 -8.004 4.782 293 HA ILE 42 HA ILE 42 8.567 -5.624 4.762 294 HB ILE 42 HB ILE 42 8.550 -7.981 6.649 295 HG12 ILE 42 1HG1 ILE 42 7.559 -5.179 7.154 296 HG13 ILE 42 2HG1 ILE 42 6.516 -6.433 6.493 297 HG21 ILE 42 1HG2 ILE 42 9.658 -5.818 7.968 298 HG22 ILE 42 2HG2 ILE 42 10.522 -7.228 7.358 299 HG23 ILE 42 3HG2 ILE 42 10.405 -5.770 6.372 300 HD11 ILE 42 1HD1 ILE 42 7.216 -7.801 8.548 301 HD12 ILE 42 2HD1 ILE 42 7.763 -6.257 9.203 302 HD13 ILE 42 3HD1 ILE 42 6.069 -6.479 8.764 303 H GLY 43 H GLY 43 9.305 -9.116 4.725 304 HA2 GLY 43 1HA GLY 43 10.928 -9.935 3.098 305 HA3 GLY 43 2HA GLY 43 11.826 -8.445 3.341 306 H LYS 44 H LYS 44 12.752 -11.195 3.581 307 HA LYS 44 HA LYS 44 12.984 -12.028 6.243 308 HB2 LYS 44 1HB LYS 44 14.729 -12.469 3.827 309 HB3 LYS 44 2HB LYS 44 15.095 -13.193 5.388 310 HG2 LYS 44 1HG LYS 44 12.409 -13.572 4.128 311 HG3 LYS 44 2HG LYS 44 13.786 -14.563 3.642 312 HD2 LYS 44 1HD LYS 44 13.997 -15.517 5.764 313 HD3 LYS 44 2HD LYS 44 13.051 -14.241 6.534 314 HE2 LYS 44 1HE LYS 44 11.707 -16.218 6.441 315 HE3 LYS 44 2HE LYS 44 11.057 -15.055 5.285 316 HZ1 LYS 44 1HZ LYS 44 12.527 -17.554 4.771 317 HZ2 LYS 44 2HZ LYS 44 12.554 -16.312 3.623 318 HZ3 LYS 44 3HZ LYS 44 11.082 -17.004 4.085 319 H LYS 45 H LYS 45 15.015 -9.875 4.306 320 HA LYS 45 HA LYS 45 16.446 -9.129 6.772 321 HB2 LYS 45 1HB LYS 45 17.388 -9.271 3.916 322 HB3 LYS 45 2HB LYS 45 18.247 -8.328 5.127 323 HG2 LYS 45 1HG LYS 45 17.665 -11.269 5.387 324 HG3 LYS 45 2HG LYS 45 19.168 -10.606 4.741 325 HD2 LYS 45 1HD LYS 45 19.270 -9.281 6.954 326 HD3 LYS 45 2HD LYS 45 18.081 -10.451 7.532 327 HE2 LYS 45 1HE LYS 45 19.582 -12.274 7.112 328 HE3 LYS 45 2HE LYS 45 20.734 -11.203 6.316 329 HZ1 LYS 45 1HZ LYS 45 20.023 -11.273 9.193 330 HZ2 LYS 45 2HZ LYS 45 20.911 -10.014 8.493 331 HZ3 LYS 45 3HZ LYS 45 21.531 -11.588 8.491 332 H GLY 46 H GLY 46 13.971 -7.983 6.091 333 HA2 GLY 46 1HA GLY 46 12.951 -5.977 5.496 334 HA3 GLY 46 2HA GLY 46 14.202 -5.363 6.567 335 H GLN 47 H GLN 47 14.055 -6.575 3.213 336 HA GLN 47 HA GLN 47 15.857 -4.409 2.421 337 HB2 GLN 47 1HB GLN 47 16.074 -6.965 1.799 338 HB3 GLN 47 2HB GLN 47 14.941 -6.529 0.527 339 HG2 GLN 47 1HG GLN 47 16.947 -6.245 -0.536 340 HG3 GLN 47 2HG GLN 47 16.634 -4.614 0.051 341 HE21 GLN 47 1HE2 GLN 47 18.920 -4.286 -0.164 342 HE22 GLN 47 2HE2 GLN 47 19.990 -4.826 1.079 343 H ASN 48 H ASN 48 12.756 -5.861 1.469 344 HA ASN 48 HA ASN 48 12.071 -4.168 -0.601 345 HB2 ASN 48 1HB ASN 48 10.179 -5.299 1.473 346 HB3 ASN 48 2HB ASN 48 9.749 -4.760 -0.147 347 HD21 ASN 48 1HD2 ASN 48 11.501 -7.167 1.694 348 HD22 ASN 48 2HD2 ASN 48 11.521 -8.374 0.458 349 H LEU 49 H LEU 49 11.519 -3.720 2.875 350 HA LEU 49 HA LEU 49 10.208 -1.206 2.577 351 HB2 LEU 49 1HB LEU 49 11.394 -2.695 4.890 352 HB3 LEU 49 2HB LEU 49 10.813 -1.041 5.082 353 HG LEU 49 HG LEU 49 9.084 -3.301 4.087 354 HD11 LEU 49 1HD1 LEU 49 9.146 -4.098 6.167 355 HD12 LEU 49 2HD1 LEU 49 8.233 -2.661 6.624 356 HD13 LEU 49 3HD1 LEU 49 9.990 -2.674 6.779 357 HD21 LEU 49 1HD2 LEU 49 8.356 -1.036 3.499 358 HD22 LEU 49 2HD2 LEU 49 8.416 -0.577 5.201 359 HD23 LEU 49 3HD2 LEU 49 7.262 -1.794 4.655 360 H ALA 50 H ALA 50 13.451 -2.087 3.775 361 HA ALA 50 HA ALA 50 14.511 0.391 4.218 362 HB1 ALA 50 1HB ALA 50 16.631 -0.569 4.085 363 HB2 ALA 50 2HB ALA 50 15.581 -1.925 4.499 364 HB3 ALA 50 3HB ALA 50 16.137 -1.716 2.839 365 H LYS 51 H LYS 51 14.481 -1.343 1.110 366 HA LYS 51 HA LYS 51 15.822 0.514 -0.441 367 HB2 LYS 51 1HB LYS 51 13.787 -1.587 -0.985 368 HB3 LYS 51 2HB LYS 51 14.091 -0.411 -2.257 369 HG2 LYS 51 1HG LYS 51 16.402 -1.780 -0.968 370 HG3 LYS 51 2HG LYS 51 15.429 -2.651 -2.157 371 HD2 LYS 51 1HD LYS 51 16.092 -1.309 -3.884 372 HD3 LYS 51 2HD LYS 51 16.334 0.096 -2.843 373 HE2 LYS 51 1HE LYS 51 18.438 -0.600 -2.176 374 HE3 LYS 51 2HE LYS 51 18.115 -2.289 -2.565 375 HZ1 LYS 51 1HZ LYS 51 17.896 -0.989 -4.956 376 HZ2 LYS 51 2HZ LYS 51 19.219 -1.905 -4.438 377 HZ3 LYS 51 3HZ LYS 51 19.213 -0.230 -4.212 378 H ILE 52 H ILE 52 12.274 0.206 -0.188 379 HA ILE 52 HA ILE 52 11.585 2.489 -1.581 380 HB ILE 52 HB ILE 52 10.149 1.335 0.813 381 HG12 ILE 52 1HG1 ILE 52 9.733 0.814 -2.138 382 HG13 ILE 52 2HG1 ILE 52 10.565 -0.277 -1.036 383 HG21 ILE 52 1HG2 ILE 52 8.827 2.843 -1.402 384 HG22 ILE 52 2HG2 ILE 52 8.282 2.573 0.253 385 HG23 ILE 52 3HG2 ILE 52 9.586 3.715 -0.071 386 HD11 ILE 52 1HD1 ILE 52 8.453 -1.181 -1.144 387 HD12 ILE 52 2HD1 ILE 52 8.360 -0.190 0.313 388 HD13 ILE 52 3HD1 ILE 52 7.666 0.397 -1.198 389 H THR 53 H THR 53 11.834 2.206 1.968 390 HA THR 53 HA THR 53 11.425 4.842 2.642 391 HB THR 53 HB THR 53 12.904 4.388 4.644 392 HG1 THR 53 1HG THR 53 13.051 1.779 3.509 393 HG21 THR 53 1HG2 THR 53 10.903 2.193 4.136 394 HG22 THR 53 2HG2 THR 53 10.435 3.860 4.478 395 HG23 THR 53 3HG2 THR 53 11.338 2.933 5.676 396 H GLN 54 H GLN 54 14.385 3.306 1.504 397 HA GLN 54 HA GLN 54 16.175 5.391 2.026 398 HB2 GLN 54 1HB GLN 54 16.798 3.076 1.331 399 HB3 GLN 54 2HB GLN 54 16.273 3.466 -0.301 400 HG2 GLN 54 1HG GLN 54 18.338 5.137 1.068 401 HG3 GLN 54 2HG GLN 54 18.778 3.614 0.297 402 HE21 GLN 54 1HE2 GLN 54 18.452 6.873 -0.150 403 HE22 GLN 54 2HE2 GLN 54 18.386 6.914 -1.876 404 H GLN 55 H GLN 55 14.170 4.737 -0.824 405 HA GLN 55 HA GLN 55 15.113 7.007 -2.278 406 HB2 GLN 55 1HB GLN 55 14.248 5.147 -3.517 407 HB3 GLN 55 2HB GLN 55 12.722 5.204 -2.646 408 HG2 GLN 55 1HG GLN 55 12.190 6.171 -4.668 409 HG3 GLN 55 2HG GLN 55 12.500 7.571 -3.642 410 HE21 GLN 55 1HE2 GLN 55 14.279 8.844 -4.026 411 HE22 GLN 55 2HE2 GLN 55 15.246 8.704 -5.451 412 H MET 56 H MET 56 12.483 6.396 -0.056 413 HA MET 56 HA MET 56 11.804 9.256 -0.174 414 HB2 MET 56 1HB MET 56 9.835 6.979 0.104 415 HB3 MET 56 2HB MET 56 9.437 8.690 0.184 416 HG2 MET 56 1HG MET 56 8.896 8.291 -1.977 417 HG3 MET 56 2HG MET 56 10.596 8.704 -2.187 418 HE1 MET 56 1HE MET 56 8.526 4.695 -2.635 419 HE2 MET 56 2HE MET 56 7.916 6.178 -1.900 420 HE3 MET 56 3HE MET 56 8.125 6.081 -3.649 421 HA PRO 57 HA PRO 57 12.918 8.104 4.142 422 HB2 PRO 57 1HB PRO 57 14.152 10.463 4.677 423 HB3 PRO 57 2HB PRO 57 14.969 9.108 3.890 424 HG2 PRO 57 1HG PRO 57 13.765 11.562 2.668 425 HG3 PRO 57 2HG PRO 57 15.305 10.766 2.294 426 HD2 PRO 57 1HD PRO 57 13.089 10.435 0.776 427 HD3 PRO 57 2HD PRO 57 14.301 9.156 0.987 428 H LYS 58 H LYS 58 11.474 11.021 2.787 429 HA LYS 58 HA LYS 58 10.483 12.160 5.140 430 HB2 LYS 58 1HB LYS 58 9.391 12.239 2.323 431 HB3 LYS 58 2HB LYS 58 8.794 13.247 3.636 432 HG2 LYS 58 1HG LYS 58 11.644 13.249 2.668 433 HG3 LYS 58 2HG LYS 58 10.404 14.379 2.122 434 HD2 LYS 58 1HD LYS 58 10.074 14.955 4.580 435 HD3 LYS 58 2HD LYS 58 11.578 14.080 4.875 436 HE2 LYS 58 1HE LYS 58 11.248 16.432 3.015 437 HE3 LYS 58 2HE LYS 58 11.943 16.497 4.634 438 HZ1 LYS 58 1HZ LYS 58 13.058 14.715 2.560 439 HZ2 LYS 58 2HZ LYS 58 13.799 15.292 3.967 440 HZ3 LYS 58 3HZ LYS 58 13.527 16.337 2.664 441 H VAL 59 H VAL 59 9.078 9.729 2.987 442 HA VAL 59 HA VAL 59 6.643 9.539 4.515 443 HB VAL 59 HB VAL 59 7.715 7.750 2.329 444 HG11 VAL 59 1HG1 VAL 59 4.831 7.815 2.832 445 HG12 VAL 59 2HG1 VAL 59 5.898 6.447 2.508 446 HG13 VAL 59 3HG1 VAL 59 5.779 7.107 4.139 447 HG21 VAL 59 1HG2 VAL 59 6.350 8.948 0.819 448 HG22 VAL 59 2HG2 VAL 59 5.521 9.798 2.123 449 HG23 VAL 59 3HG2 VAL 59 7.207 10.169 1.762 450 H HIS 60 H HIS 60 6.259 8.272 6.214 451 HA HIS 60 HA HIS 60 8.287 6.262 6.926 452 HB2 HIS 60 1HB HIS 60 7.735 8.269 8.473 453 HB3 HIS 60 2HB HIS 60 6.266 7.374 8.852 454 HD1 HIS 60 1HD HIS 60 10.024 6.771 8.879 455 HD2 HIS 60 2HD HIS 60 6.577 5.639 10.903 456 HE1 HIS 60 1HE HIS 60 10.807 5.330 10.786 457 H ILE 61 H ILE 61 7.673 4.286 6.342 458 HA ILE 61 HA ILE 61 4.867 3.574 6.191 459 HB ILE 61 HB ILE 61 7.324 1.909 5.629 460 HG12 ILE 61 1HG1 ILE 61 5.412 3.197 3.673 461 HG13 ILE 61 2HG1 ILE 61 6.947 3.914 4.148 462 HG21 ILE 61 1HG2 ILE 61 4.692 1.211 4.485 463 HG22 ILE 61 2HG2 ILE 61 6.003 0.170 5.037 464 HG23 ILE 61 3HG2 ILE 61 4.910 0.909 6.208 465 HD11 ILE 61 1HD1 ILE 61 7.116 1.144 3.204 466 HD12 ILE 61 2HD1 ILE 61 6.598 2.323 1.999 467 HD13 ILE 61 3HD1 ILE 61 8.133 2.537 2.841 468 H GLU 62 H GLU 62 3.844 3.012 7.995 469 HA GLU 62 HA GLU 62 5.305 1.445 10.014 470 HB2 GLU 62 1HB GLU 62 4.301 3.727 10.619 471 HB3 GLU 62 2HB GLU 62 2.735 2.937 10.495 472 HG2 GLU 62 1HG GLU 62 3.357 2.946 12.781 473 HG3 GLU 62 2HG GLU 62 3.512 1.291 12.196 474 H PHE 63 H PHE 63 4.486 -0.469 10.750 475 HA PHE 63 HA PHE 63 2.152 -1.514 9.292 476 HB2 PHE 63 1HB PHE 63 4.725 -2.737 10.154 477 HB3 PHE 63 2HB PHE 63 3.294 -3.762 10.182 478 HD1 PHE 63 2HD PHE 63 1.820 -3.585 7.971 479 HD2 PHE 63 1HD PHE 63 5.976 -2.708 8.238 480 HE1 PHE 63 2HE PHE 63 2.055 -3.979 5.554 481 HE2 PHE 63 1HE PHE 63 6.218 -3.100 5.821 482 HZ PHE 63 HZ PHE 63 4.256 -3.737 4.476 483 H THR 64 H THR 64 0.370 -1.816 10.436 484 HA THR 64 HA THR 64 0.472 -1.735 13.337 485 HB THR 64 HB THR 64 -2.051 -1.824 13.135 486 HG1 THR 64 1HG THR 64 -1.919 -2.769 10.938 487 HG21 THR 64 1HG2 THR 64 -0.361 0.275 12.977 488 HG22 THR 64 2HG2 THR 64 -2.118 0.433 12.982 489 HG23 THR 64 3HG2 THR 64 -1.233 0.461 11.456 490 H GLU 65 H GLU 65 -1.238 -3.260 14.426 491 HA GLU 65 HA GLU 65 -0.606 -5.991 13.531 492 HB2 GLU 65 1HB GLU 65 -1.232 -4.901 16.277 493 HB3 GLU 65 2HB GLU 65 -1.117 -6.618 15.918 494 HG2 GLU 65 1HG GLU 65 1.219 -6.158 15.081 495 HG3 GLU 65 2HG GLU 65 1.057 -4.553 15.789 496 H GLY 66 H GLY 66 -3.176 -4.314 15.364 497 HA2 GLY 66 1HA GLY 66 -5.118 -6.272 14.435 498 HA3 GLY 66 2HA GLY 66 -5.404 -4.991 15.604 499 H GLU 67 H GLU 67 -4.346 -2.876 13.936 500 HA GLU 67 HA GLU 67 -6.673 -2.067 12.637 501 HB2 GLU 67 1HB GLU 67 -3.813 -1.172 12.274 502 HB3 GLU 67 2HB GLU 67 -5.181 -0.371 11.515 503 HG2 GLU 67 1HG GLU 67 -4.343 0.682 13.627 504 HG3 GLU 67 2HG GLU 67 -6.065 0.308 13.595 505 H ASP 68 H ASP 68 -4.218 -4.214 11.607 506 HA ASP 68 HA ASP 68 -3.730 -5.226 9.616 507 HB2 ASP 68 1HB ASP 68 -6.710 -5.080 9.760 508 HB3 ASP 68 2HB ASP 68 -5.971 -5.668 8.273 509 H LYS 69 H LYS 69 -3.093 -2.613 9.421 510 HA LYS 69 HA LYS 69 -3.437 -2.127 6.599 511 HB2 LYS 69 1HB LYS 69 -4.458 -0.001 6.715 512 HB3 LYS 69 2HB LYS 69 -5.424 -1.038 7.756 513 HG2 LYS 69 1HG LYS 69 -4.051 -0.145 9.687 514 HG3 LYS 69 2HG LYS 69 -3.439 1.067 8.558 515 HD2 LYS 69 1HD LYS 69 -5.763 1.770 8.106 516 HD3 LYS 69 2HD LYS 69 -6.327 0.606 9.306 517 HE2 LYS 69 1HE LYS 69 -5.307 1.780 11.074 518 HE3 LYS 69 2HE LYS 69 -4.323 2.744 9.973 519 HZ1 LYS 69 1HZ LYS 69 -6.499 3.673 9.136 520 HZ2 LYS 69 2HZ LYS 69 -6.037 4.148 10.691 521 HZ3 LYS 69 3HZ LYS 69 -7.229 2.965 10.488 522 H ILE 70 H ILE 70 -2.134 -0.203 5.892 523 HA ILE 70 HA ILE 70 0.283 -0.012 7.559 524 HB ILE 70 HB ILE 70 -0.028 0.401 4.584 525 HG12 ILE 70 1HG1 ILE 70 1.533 -1.745 6.021 526 HG13 ILE 70 2HG1 ILE 70 -0.138 -1.968 5.515 527 HG21 ILE 70 1HG2 ILE 70 1.868 1.550 4.660 528 HG22 ILE 70 2HG2 ILE 70 1.981 1.312 6.403 529 HG23 ILE 70 3HG2 ILE 70 2.676 0.121 5.304 530 HD11 ILE 70 1HD1 ILE 70 0.553 -2.563 3.506 531 HD12 ILE 70 2HD1 ILE 70 1.337 -0.997 3.296 532 HD13 ILE 70 3HD1 ILE 70 2.226 -2.339 4.016 533 H THR 71 H THR 71 0.410 1.816 8.671 534 HA THR 71 HA THR 71 -0.952 4.211 7.764 535 HB THR 71 HB THR 71 0.284 5.078 9.967 536 HG1 THR 71 1HG THR 71 0.083 3.026 11.377 537 HG21 THR 71 1HG2 THR 71 -2.061 3.201 10.202 538 HG22 THR 71 2HG2 THR 71 -2.191 4.806 9.484 539 HG23 THR 71 3HG2 THR 71 -1.708 4.631 11.170 540 H LEU 72 H LEU 72 -0.026 5.827 6.688 541 HA LEU 72 HA LEU 72 2.904 5.841 6.448 542 HB2 LEU 72 1HB LEU 72 0.722 6.867 4.655 543 HB3 LEU 72 2HB LEU 72 2.411 7.322 4.441 544 HG LEU 72 HG LEU 72 1.600 5.495 2.935 545 HD11 LEU 72 1HD1 LEU 72 3.579 3.974 3.482 546 HD12 LEU 72 2HD1 LEU 72 3.909 5.091 4.806 547 HD13 LEU 72 3HD1 LEU 72 3.920 5.670 3.140 548 HD21 LEU 72 1HD2 LEU 72 1.244 3.296 3.802 549 HD22 LEU 72 2HD2 LEU 72 0.173 4.399 4.666 550 HD23 LEU 72 3HD2 LEU 72 1.650 3.817 5.438 551 H GLU 73 H GLU 73 4.024 7.864 6.470 552 HA GLU 73 HA GLU 73 2.581 10.165 7.535 553 HB2 GLU 73 1HB GLU 73 4.735 8.659 8.984 554 HB3 GLU 73 2HB GLU 73 4.535 10.387 9.243 555 HG2 GLU 73 1HG GLU 73 2.230 10.021 9.949 556 HG3 GLU 73 2HG GLU 73 2.420 8.290 9.678 557 H GLY 74 H GLY 74 3.233 11.959 6.546 558 HA2 GLY 74 1HA GLY 74 5.618 13.073 6.180 559 HA3 GLY 74 2HA GLY 74 5.640 11.864 4.905 560 HA PRO 75 HA PRO 75 3.797 15.769 3.201 561 HB2 PRO 75 1HB PRO 75 5.302 15.776 0.941 562 HB3 PRO 75 2HB PRO 75 5.841 16.508 2.457 563 HG2 PRO 75 1HG PRO 75 6.529 13.837 1.293 564 HG3 PRO 75 2HG PRO 75 7.589 15.021 2.080 565 HD2 PRO 75 1HD PRO 75 6.649 12.830 3.362 566 HD3 PRO 75 2HD PRO 75 6.960 14.365 4.197 567 H THR 76 H THR 76 1.934 15.549 2.148 568 HA THR 76 HA THR 76 0.846 13.288 1.117 569 HB THR 76 HB THR 76 -0.469 15.314 1.421 570 HG1 THR 76 1HG THR 76 -0.631 14.709 -1.341 571 HG21 THR 76 1HG2 THR 76 1.146 16.335 -0.910 572 HG22 THR 76 2HG2 THR 76 0.995 17.040 0.700 573 HG23 THR 76 3HG2 THR 76 -0.378 17.063 -0.406 574 H GLU 77 H GLU 77 3.127 15.411 -0.461 575 HA GLU 77 HA GLU 77 2.804 14.598 -3.113 576 HB2 GLU 77 1HB GLU 77 4.165 16.511 -2.588 577 HB3 GLU 77 2HB GLU 77 5.264 15.529 -1.630 578 HG2 GLU 77 1HG GLU 77 6.255 14.585 -3.486 579 HG3 GLU 77 2HG GLU 77 4.875 14.927 -4.526 580 H ASP 78 H ASP 78 5.280 13.456 -0.809 581 HA ASP 78 HA ASP 78 6.018 11.247 -2.455 582 HB2 ASP 78 1HB ASP 78 6.601 11.738 0.474 583 HB3 ASP 78 2HB ASP 78 7.413 10.563 -0.557 584 H VAL 79 H VAL 79 4.108 11.570 0.519 585 HA VAL 79 HA VAL 79 3.589 8.966 1.143 586 HB VAL 79 HB VAL 79 1.623 11.259 1.198 587 HG11 VAL 79 1HG1 VAL 79 1.060 8.569 1.532 588 HG12 VAL 79 2HG1 VAL 79 1.242 9.176 3.178 589 HG13 VAL 79 3HG1 VAL 79 0.076 9.923 2.086 590 HG21 VAL 79 1HG2 VAL 79 2.593 11.953 3.093 591 HG22 VAL 79 2HG2 VAL 79 2.788 10.310 3.704 592 HG23 VAL 79 3HG2 VAL 79 3.972 10.979 2.581 593 H SER 80 H SER 80 1.965 10.912 -1.333 594 HA SER 80 HA SER 80 0.018 9.045 -2.076 595 HB2 SER 80 1HB SER 80 -0.141 11.339 -2.821 596 HB3 SER 80 2HB SER 80 1.379 11.202 -3.705 597 HG SER 80 HG SER 80 -1.145 10.427 -4.428 598 H VAL 81 H VAL 81 3.278 9.598 -3.371 599 HA VAL 81 HA VAL 81 3.170 7.602 -5.361 600 HB VAL 81 HB VAL 81 5.582 8.730 -3.933 601 HG11 VAL 81 1HG1 VAL 81 6.039 7.847 -6.633 602 HG12 VAL 81 2HG1 VAL 81 6.875 7.391 -5.148 603 HG13 VAL 81 3HG1 VAL 81 5.421 6.525 -5.644 604 HG21 VAL 81 1HG2 VAL 81 4.403 9.496 -6.601 605 HG22 VAL 81 2HG2 VAL 81 4.148 10.392 -5.102 606 HG23 VAL 81 3HG2 VAL 81 5.770 10.255 -5.782 607 H ALA 82 H ALA 82 4.617 7.562 -2.105 608 HA ALA 82 HA ALA 82 5.488 4.904 -2.147 609 HB1 ALA 82 1HB ALA 82 5.056 5.246 0.469 610 HB2 ALA 82 2HB ALA 82 6.422 5.970 -0.380 611 HB3 ALA 82 3HB ALA 82 4.980 6.930 -0.053 612 H GLN 83 H GLN 83 2.557 6.228 -0.592 613 HA GLN 83 HA GLN 83 1.401 3.880 0.236 614 HB2 GLN 83 1HB GLN 83 -0.631 5.043 0.410 615 HB3 GLN 83 2HB GLN 83 0.600 6.286 0.584 616 HG2 GLN 83 1HG GLN 83 0.230 7.104 -1.589 617 HG3 GLN 83 2HG GLN 83 -0.708 5.684 -2.047 618 HE21 GLN 83 1HE2 GLN 83 -2.849 5.660 -1.691 619 HE22 GLN 83 2HE2 GLN 83 -3.732 6.938 -0.934 620 H GLU 84 H GLU 84 1.492 5.240 -2.991 621 HA GLU 84 HA GLU 84 -0.428 3.441 -4.107 622 HB2 GLU 84 1HB GLU 84 0.410 5.755 -4.986 623 HB3 GLU 84 2HB GLU 84 1.685 4.806 -5.737 624 HG2 GLU 84 1HG GLU 84 -0.140 3.409 -6.778 625 HG3 GLU 84 2HG GLU 84 -1.272 4.641 -6.222 626 H GLN 85 H GLN 85 3.098 3.532 -3.920 627 HA GLN 85 HA GLN 85 3.652 1.363 -5.597 628 HB2 GLN 85 1HB GLN 85 5.117 2.579 -3.271 629 HB3 GLN 85 2HB GLN 85 5.752 1.168 -4.107 630 HG2 GLN 85 1HG GLN 85 5.535 2.542 -6.240 631 HG3 GLN 85 2HG GLN 85 5.317 3.932 -5.178 632 HE21 GLN 85 1HE2 GLN 85 7.109 5.046 -4.976 633 HE22 GLN 85 2HE2 GLN 85 8.710 4.403 -4.877 634 H ILE 86 H ILE 86 2.751 1.495 -2.203 635 HA ILE 86 HA ILE 86 3.233 -1.287 -1.714 636 HB ILE 86 HB ILE 86 1.564 0.658 -0.115 637 HG12 ILE 86 1HG1 ILE 86 4.421 -0.198 0.371 638 HG13 ILE 86 2HG1 ILE 86 3.985 1.289 -0.463 639 HG21 ILE 86 1HG2 ILE 86 2.312 -2.169 0.241 640 HG22 ILE 86 2HG2 ILE 86 2.488 -1.143 1.664 641 HG23 ILE 86 3HG2 ILE 86 0.924 -1.273 0.858 642 HD11 ILE 86 1HD1 ILE 86 4.491 1.781 1.823 643 HD12 ILE 86 2HD1 ILE 86 2.761 2.005 1.563 644 HD13 ILE 86 3HD1 ILE 86 3.350 0.559 2.383 645 H GLU 87 H GLU 87 0.536 0.635 -2.807 646 HA GLU 87 HA GLU 87 -1.537 -1.202 -2.305 647 HB2 GLU 87 1HB GLU 87 -1.190 1.103 -4.186 648 HB3 GLU 87 2HB GLU 87 -2.595 0.058 -4.342 649 HG2 GLU 87 1HG GLU 87 -2.820 0.520 -1.767 650 HG3 GLU 87 2HG GLU 87 -1.867 1.947 -2.168 651 H GLY 88 H GLY 88 0.954 -1.124 -4.689 652 HA2 GLY 88 1HA GLY 88 -0.410 -2.916 -6.515 653 HA3 GLY 88 2HA GLY 88 1.234 -2.317 -6.671 654 H MET 89 H MET 89 2.500 -3.128 -4.465 655 HA MET 89 HA MET 89 2.987 -5.852 -4.945 656 HB2 MET 89 1HB MET 89 4.388 -5.750 -2.902 657 HB3 MET 89 2HB MET 89 4.709 -4.428 -4.018 658 HG2 MET 89 1HG MET 89 3.039 -3.103 -2.567 659 HG3 MET 89 2HG MET 89 3.321 -4.368 -1.373 660 HE1 MET 89 1HE MET 89 4.394 -3.482 0.474 661 HE2 MET 89 2HE MET 89 5.698 -4.584 0.035 662 HE3 MET 89 3HE MET 89 6.070 -2.934 0.537 663 H VAL 90 H VAL 90 0.804 -4.226 -2.784 664 HA VAL 90 HA VAL 90 0.322 -6.437 -1.048 665 HB VAL 90 HB VAL 90 -1.186 -3.887 -1.579 666 HG11 VAL 90 1HG1 VAL 90 -2.182 -6.324 -0.386 667 HG12 VAL 90 2HG1 VAL 90 -2.204 -4.985 0.764 668 HG13 VAL 90 3HG1 VAL 90 -3.036 -4.833 -0.784 669 HG21 VAL 90 1HG2 VAL 90 -0.304 -3.130 0.420 670 HG22 VAL 90 2HG2 VAL 90 -0.002 -4.758 1.026 671 HG23 VAL 90 3HG2 VAL 90 1.029 -4.081 -0.234 672 H LYS 91 H LYS 91 -1.421 -5.078 -3.831 673 HA LYS 91 HA LYS 91 -3.554 -6.914 -3.804 674 HB2 LYS 91 1HB LYS 91 -3.346 -4.692 -5.079 675 HB3 LYS 91 2HB LYS 91 -2.478 -5.615 -6.299 676 HG2 LYS 91 1HG LYS 91 -4.446 -7.094 -6.524 677 HG3 LYS 91 2HG LYS 91 -5.311 -6.063 -5.383 678 HD2 LYS 91 1HD LYS 91 -4.988 -4.152 -6.906 679 HD3 LYS 91 2HD LYS 91 -4.189 -5.226 -8.057 680 HE2 LYS 91 1HE LYS 91 -6.261 -6.581 -8.157 681 HE3 LYS 91 2HE LYS 91 -7.045 -5.407 -7.101 682 HZ1 LYS 91 1HZ LYS 91 -5.834 -4.679 -9.706 683 HZ2 LYS 91 2HZ LYS 91 -6.864 -3.742 -8.747 684 HZ3 LYS 91 3HZ LYS 91 -7.460 -5.114 -9.537 685 H ASP 92 H ASP 92 -0.481 -6.908 -5.579 686 HA ASP 92 HA ASP 92 -0.887 -9.206 -7.103 687 HB2 ASP 92 1HB ASP 92 1.018 -7.532 -7.281 688 HB3 ASP 92 2HB ASP 92 1.775 -8.388 -5.939 689 H LEU 93 H LEU 93 0.471 -8.853 -3.845 690 HA LEU 93 HA LEU 93 1.168 -11.530 -3.430 691 HB2 LEU 93 1HB LEU 93 0.333 -9.372 -1.507 692 HB3 LEU 93 2HB LEU 93 0.906 -10.956 -0.989 693 HG LEU 93 HG LEU 93 2.594 -9.211 -2.751 694 HD11 LEU 93 1HD1 LEU 93 2.892 -9.161 0.217 695 HD12 LEU 93 2HD1 LEU 93 1.739 -8.080 -0.563 696 HD13 LEU 93 3HD1 LEU 93 3.448 -8.003 -0.992 697 HD21 LEU 93 1HD2 LEU 93 3.465 -11.131 -0.619 698 HD22 LEU 93 2HD2 LEU 93 4.365 -10.538 -2.015 699 HD23 LEU 93 3HD2 LEU 93 3.044 -11.686 -2.238 700 H ILE 94 H ILE 94 -1.871 -9.815 -2.848 701 HA ILE 94 HA ILE 94 -3.197 -12.022 -1.635 702 HB ILE 94 HB ILE 94 -4.345 -9.569 -2.973 703 HG12 ILE 94 1HG1 ILE 94 -4.117 -10.128 -0.020 704 HG13 ILE 94 2HG1 ILE 94 -2.838 -9.315 -0.916 705 HG21 ILE 94 1HG2 ILE 94 -6.188 -10.427 -1.137 706 HG22 ILE 94 2HG2 ILE 94 -6.272 -10.697 -2.878 707 HG23 ILE 94 3HG2 ILE 94 -5.598 -11.940 -1.824 708 HD11 ILE 94 1HD1 ILE 94 -4.592 -7.642 -1.629 709 HD12 ILE 94 2HD1 ILE 94 -5.639 -8.375 -0.413 710 HD13 ILE 94 3HD1 ILE 94 -4.122 -7.619 0.070 711 H ASN 95 H ASN 95 -3.069 -10.745 -4.932 712 HA ASN 95 HA ASN 95 -5.023 -12.287 -6.132 713 HB2 ASN 95 1HB ASN 95 -2.486 -11.039 -7.093 714 HB3 ASN 95 2HB ASN 95 -3.322 -12.160 -8.162 715 HD21 ASN 95 1HD2 ASN 95 -2.975 -9.530 -8.844 716 HD22 ASN 95 2HD2 ASN 95 -4.503 -8.725 -8.837 717 H ARG 96 H ARG 96 -1.648 -13.112 -5.460 718 HA ARG 96 HA ARG 96 -1.379 -15.488 -6.795 719 HB2 ARG 96 1HB ARG 96 -0.373 -14.764 -4.038 720 HB3 ARG 96 2HB ARG 96 0.166 -16.172 -4.944 721 HG2 ARG 96 1HG ARG 96 0.906 -14.615 -6.757 722 HG3 ARG 96 2HG ARG 96 0.549 -13.278 -5.662 723 HD2 ARG 96 1HD ARG 96 2.217 -13.940 -4.142 724 HD3 ARG 96 2HD ARG 96 2.369 -15.535 -4.881 725 HE ARG 96 HE ARG 96 3.052 -13.309 -6.597 726 HH11 ARG 96 1HH1 ARG 96 4.188 -15.694 -4.329 727 HH12 ARG 96 2HH1 ARG 96 5.829 -15.624 -4.878 728 HH21 ARG 96 1HH2 ARG 96 5.210 -13.208 -7.329 729 HH22 ARG 96 2HH2 ARG 96 6.410 -14.209 -6.584 730 H SER 97 H SER 97 -2.590 -15.132 -3.457 731 HA SER 97 HA SER 97 -3.776 -17.812 -3.680 732 HB2 SER 97 1HB SER 97 -2.382 -17.751 -1.775 733 HB3 SER 97 2HB SER 97 -2.939 -16.143 -1.314 734 HG SER 97 HG SER 97 -4.485 -17.047 -0.231 735 H GLY 98 H GLY 98 -5.843 -17.810 -4.261 736 HA2 GLY 98 1HA GLY 98 -7.524 -15.517 -4.024 737 HA3 GLY 98 2HA GLY 98 -8.020 -17.119 -4.551 738 HA PRO 99 HA PRO 99 -9.869 -16.160 -0.363 739 HB2 PRO 99 1HB PRO 99 -12.445 -16.593 -1.099 740 HB3 PRO 99 2HB PRO 99 -11.656 -15.020 -1.250 741 HG2 PRO 99 1HG PRO 99 -12.123 -17.112 -3.338 742 HG3 PRO 99 2HG PRO 99 -12.317 -15.353 -3.453 743 HD2 PRO 99 1HD PRO 99 -10.143 -16.645 -4.423 744 HD3 PRO 99 2HD PRO 99 -10.061 -14.997 -3.765 745 H SER 100 H SER 100 -9.488 -18.730 -2.459 746 HA SER 100 HA SER 100 -11.037 -20.803 -1.815 747 HB2 SER 100 1HB SER 100 -8.013 -20.938 -1.739 748 HB3 SER 100 2HB SER 100 -9.106 -22.294 -2.014 749 HG SER 100 HG SER 100 -8.166 -21.271 -3.938 750 H SER 101 H SER 101 -8.442 -19.596 0.288 751 HA SER 101 HA SER 101 -9.046 -21.456 2.388 752 HB2 SER 101 1HB SER 101 -7.291 -20.425 3.604 753 HB3 SER 101 2HB SER 101 -6.777 -20.376 1.918 754 HG SER 101 HG SER 101 -6.881 -18.359 3.505 755 H GLY 102 H GLY 102 -9.974 -21.012 4.408 756 HA2 GLY 102 1HA GLY 102 -10.894 -19.270 5.915 757 HA3 GLY 102 2HA GLY 102 -11.609 -18.550 4.480 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -18.150 28.542 -16.398 2 HA2 GLY 1 1HA GLY 1 -16.863 26.456 -15.670 3 HA3 GLY 1 2HA GLY 1 -15.499 27.251 -16.441 4 H SER 2 H SER 2 -15.825 26.431 -13.657 5 HA SER 2 HA SER 2 -15.252 29.029 -12.431 6 HB2 SER 2 1HB SER 2 -17.346 27.074 -11.578 7 HB3 SER 2 2HB SER 2 -16.466 27.961 -10.333 8 HG SER 2 HG SER 2 -17.407 29.468 -12.456 9 H SER 3 H SER 3 -14.069 28.833 -10.380 10 HA SER 3 HA SER 3 -12.222 26.567 -10.500 11 HB2 SER 3 1HB SER 3 -10.715 27.945 -9.160 12 HB3 SER 3 2HB SER 3 -11.273 28.855 -10.564 13 HG SER 3 HG SER 3 -11.435 29.574 -8.056 14 H GLY 4 H GLY 4 -11.380 25.748 -8.381 15 HA2 GLY 4 1HA GLY 4 -13.609 24.941 -6.751 16 HA3 GLY 4 2HA GLY 4 -11.935 24.444 -6.552 17 H SER 5 H SER 5 -14.072 25.451 -4.660 18 HA SER 5 HA SER 5 -12.383 27.476 -3.355 19 HB2 SER 5 1HB SER 5 -15.301 27.611 -3.980 20 HB3 SER 5 2HB SER 5 -14.734 28.327 -2.471 21 HG SER 5 HG SER 5 -14.742 29.784 -4.291 22 H SER 6 H SER 6 -11.854 26.964 -1.337 23 HA SER 6 HA SER 6 -12.325 24.576 -0.114 24 HB2 SER 6 1HB SER 6 -11.564 27.272 0.904 25 HB3 SER 6 2HB SER 6 -12.007 26.043 2.091 26 HG SER 6 HG SER 6 -9.873 26.063 0.258 27 H GLY 7 H GLY 7 -13.531 24.141 1.951 28 HA2 GLY 7 1HA GLY 7 -15.885 25.634 2.551 29 HA3 GLY 7 2HA GLY 7 -16.264 24.229 1.566 30 H GLU 8 H GLU 8 -16.405 22.264 2.508 31 HA GLU 8 HA GLU 8 -16.840 21.979 5.205 32 HB2 GLU 8 1HB GLU 8 -15.827 19.874 3.286 33 HB3 GLU 8 2HB GLU 8 -16.540 19.549 4.859 34 HG2 GLU 8 1HG GLU 8 -18.661 20.324 4.164 35 HG3 GLU 8 2HG GLU 8 -17.998 21.020 2.686 36 HA PRO 9 HA PRO 9 -12.905 22.084 7.167 37 HB2 PRO 9 1HB PRO 9 -13.487 20.658 9.403 38 HB3 PRO 9 2HB PRO 9 -14.059 22.309 9.140 39 HG2 PRO 9 1HG PRO 9 -15.504 19.717 8.742 40 HG3 PRO 9 2HG PRO 9 -16.089 21.224 9.473 41 HD2 PRO 9 1HD PRO 9 -16.682 20.512 6.928 42 HD3 PRO 9 2HD PRO 9 -16.494 22.206 7.427 43 H GLU 10 H GLU 10 -11.466 20.420 8.487 44 HA GLU 10 HA GLU 10 -10.984 18.216 6.659 45 HB2 GLU 10 1HB GLU 10 -9.421 19.393 8.950 46 HB3 GLU 10 2HB GLU 10 -8.936 17.899 8.161 47 HG2 GLU 10 1HG GLU 10 -7.716 19.795 7.272 48 HG3 GLU 10 2HG GLU 10 -8.741 19.067 6.036 49 H LYS 11 H LYS 11 -10.981 16.054 7.203 50 HA LYS 11 HA LYS 11 -11.658 15.230 9.899 51 HB2 LYS 11 1HB LYS 11 -13.526 14.832 7.563 52 HB3 LYS 11 2HB LYS 11 -13.607 13.853 9.022 53 HG2 LYS 11 1HG LYS 11 -15.147 15.430 9.553 54 HG3 LYS 11 2HG LYS 11 -13.704 16.233 10.175 55 HD2 LYS 11 1HD LYS 11 -14.580 17.944 8.945 56 HD3 LYS 11 2HD LYS 11 -13.606 17.165 7.695 57 HE2 LYS 11 1HE LYS 11 -16.460 16.367 8.131 58 HE3 LYS 11 2HE LYS 11 -16.064 17.795 7.175 59 HZ1 LYS 11 1HZ LYS 11 -14.653 16.358 5.776 60 HZ2 LYS 11 2HZ LYS 11 -16.285 15.918 5.730 61 HZ3 LYS 11 3HZ LYS 11 -15.189 15.008 6.643 62 H LEU 12 H LEU 12 -11.530 12.902 10.190 63 HA LEU 12 HA LEU 12 -9.327 11.766 8.859 64 HB2 LEU 12 1HB LEU 12 -11.437 10.336 10.466 65 HB3 LEU 12 2HB LEU 12 -9.810 9.757 10.113 66 HG LEU 12 HG LEU 12 -10.118 12.313 11.612 67 HD11 LEU 12 1HD1 LEU 12 -10.638 11.351 13.628 68 HD12 LEU 12 2HD1 LEU 12 -10.110 9.746 13.124 69 HD13 LEU 12 3HD1 LEU 12 -11.640 10.395 12.535 70 HD21 LEU 12 1HD2 LEU 12 -8.038 11.672 12.571 71 HD22 LEU 12 2HD2 LEU 12 -7.921 11.380 10.836 72 HD23 LEU 12 3HD2 LEU 12 -8.180 10.031 11.942 73 H GLY 13 H GLY 13 -9.638 9.321 8.066 74 HA2 GLY 13 1HA GLY 13 -10.617 9.371 5.508 75 HA3 GLY 13 2HA GLY 13 -10.454 7.897 6.452 76 H GLN 14 H GLN 14 -12.593 9.889 4.836 77 HA GLN 14 HA GLN 14 -14.871 8.496 6.061 78 HB2 GLN 14 1HB GLN 14 -14.559 11.434 5.547 79 HB3 GLN 14 2HB GLN 14 -16.156 10.697 5.508 80 HG2 GLN 14 1HG GLN 14 -14.253 10.593 7.837 81 HG3 GLN 14 2HG GLN 14 -15.620 11.694 7.683 82 HE21 GLN 14 1HE2 GLN 14 -17.709 10.897 7.881 83 HE22 GLN 14 2HE2 GLN 14 -18.041 9.344 8.563 84 H ALA 15 H ALA 15 -16.893 8.855 4.599 85 HA ALA 15 HA ALA 15 -16.504 7.556 2.195 86 HB1 ALA 15 1HB ALA 15 -18.714 7.476 2.329 87 HB2 ALA 15 2HB ALA 15 -18.697 8.711 3.589 88 HB3 ALA 15 3HB ALA 15 -18.799 9.184 1.893 89 H LEU 16 H LEU 16 -16.875 8.332 -0.017 90 HA LEU 16 HA LEU 16 -15.325 10.737 -0.506 91 HB2 LEU 16 1HB LEU 16 -16.400 8.573 -2.298 92 HB3 LEU 16 2HB LEU 16 -15.587 10.009 -2.917 93 HG LEU 16 HG LEU 16 -14.193 8.289 -0.912 94 HD11 LEU 16 1HD1 LEU 16 -15.141 7.341 -3.428 95 HD12 LEU 16 2HD1 LEU 16 -14.143 6.513 -2.233 96 HD13 LEU 16 3HD1 LEU 16 -13.384 7.486 -3.492 97 HD21 LEU 16 1HD2 LEU 16 -13.097 9.721 -3.315 98 HD22 LEU 16 2HD2 LEU 16 -12.241 9.176 -1.872 99 HD23 LEU 16 3HD2 LEU 16 -13.361 10.536 -1.774 100 H THR 17 H THR 17 -17.761 11.327 0.656 101 HA THR 17 HA THR 17 -19.742 11.988 -1.295 102 HB THR 17 HB THR 17 -19.447 13.072 1.512 103 HG1 THR 17 1HG THR 17 -20.898 10.818 0.536 104 HG21 THR 17 1HG2 THR 17 -21.193 14.349 0.964 105 HG22 THR 17 2HG2 THR 17 -22.139 12.872 0.778 106 HG23 THR 17 3HG2 THR 17 -21.326 13.579 -0.617 107 H GLU 18 H GLU 18 -16.769 13.303 -0.646 108 HA GLU 18 HA GLU 18 -17.374 15.676 -2.173 109 HB2 GLU 18 1HB GLU 18 -16.703 17.299 -0.579 110 HB3 GLU 18 2HB GLU 18 -17.871 16.268 0.236 111 HG2 GLU 18 1HG GLU 18 -14.997 15.584 0.492 112 HG3 GLU 18 2HG GLU 18 -15.599 16.990 1.369 113 H VAL 19 H VAL 19 -15.545 16.632 -3.095 114 HA VAL 19 HA VAL 19 -13.454 15.006 -3.819 115 HB VAL 19 HB VAL 19 -12.235 17.031 -4.501 116 HG11 VAL 19 1HG1 VAL 19 -14.337 18.093 -5.729 117 HG12 VAL 19 2HG1 VAL 19 -13.691 16.512 -6.173 118 HG13 VAL 19 3HG1 VAL 19 -15.106 16.623 -5.127 119 HG21 VAL 19 1HG2 VAL 19 -13.397 18.224 -2.345 120 HG22 VAL 19 2HG2 VAL 19 -12.599 19.083 -3.663 121 HG23 VAL 19 3HG2 VAL 19 -14.352 18.882 -3.673 122 H TYR 20 H TYR 20 -11.174 15.066 -3.296 123 HA TYR 20 HA TYR 20 -10.746 15.452 -0.417 124 HB2 TYR 20 1HB TYR 20 -8.729 13.975 -0.818 125 HB3 TYR 20 2HB TYR 20 -10.293 13.205 -1.059 126 HD1 TYR 20 2HD TYR 20 -11.058 12.620 -3.308 127 HD2 TYR 20 1HD TYR 20 -7.227 14.355 -2.671 128 HE1 TYR 20 2HE TYR 20 -10.380 11.937 -5.571 129 HE2 TYR 20 1HE TYR 20 -6.538 13.679 -4.932 130 HH TYR 20 HH TYR 20 -7.542 11.563 -6.607 131 H ALA 21 H ALA 21 -10.475 17.348 -2.894 132 HA ALA 21 HA ALA 21 -7.724 18.095 -2.945 133 HB1 ALA 21 1HB ALA 21 -8.440 19.987 -4.260 134 HB2 ALA 21 2HB ALA 21 -9.290 18.540 -4.803 135 HB3 ALA 21 3HB ALA 21 -10.120 19.720 -3.789 136 H LYS 22 H LYS 22 -6.806 18.748 -1.091 137 HA LYS 22 HA LYS 22 -7.916 21.123 0.204 138 HB2 LYS 22 1HB LYS 22 -7.512 18.463 1.470 139 HB3 LYS 22 2HB LYS 22 -7.070 19.879 2.414 140 HG2 LYS 22 1HG LYS 22 -9.728 19.863 1.095 141 HG3 LYS 22 2HG LYS 22 -9.490 18.835 2.510 142 HD2 LYS 22 1HD LYS 22 -10.234 20.809 3.461 143 HD3 LYS 22 2HD LYS 22 -8.481 20.981 3.575 144 HE2 LYS 22 1HE LYS 22 -9.646 23.024 2.766 145 HE3 LYS 22 2HE LYS 22 -8.433 22.402 1.648 146 HZ1 LYS 22 1HZ LYS 22 -11.128 21.408 1.249 147 HZ2 LYS 22 2HZ LYS 22 -9.977 21.907 0.114 148 HZ3 LYS 22 3HZ LYS 22 -10.913 23.055 0.930 149 H ALA 23 H ALA 23 -6.342 22.226 1.592 150 HA ALA 23 HA ALA 23 -3.593 21.768 0.637 151 HB1 ALA 23 1HB ALA 23 -5.214 24.161 0.882 152 HB2 ALA 23 2HB ALA 23 -3.655 24.324 1.690 153 HB3 ALA 23 3HB ALA 23 -3.721 23.893 -0.019 154 H ASN 24 H ASN 24 -2.599 20.573 2.161 155 HA ASN 24 HA ASN 24 -2.524 21.671 4.883 156 HB2 ASN 24 1HB ASN 24 -4.031 19.537 4.479 157 HB3 ASN 24 2HB ASN 24 -2.481 18.702 4.529 158 HD21 ASN 24 1HD2 ASN 24 -4.262 21.192 6.322 159 HD22 ASN 24 2HD2 ASN 24 -3.823 20.616 7.891 160 H SER 25 H SER 25 -0.608 21.196 6.064 161 HA SER 25 HA SER 25 1.722 21.002 4.377 162 HB2 SER 25 1HB SER 25 1.246 21.583 7.281 163 HB3 SER 25 2HB SER 25 2.870 21.180 6.725 164 HG SER 25 HG SER 25 1.720 23.518 6.628 165 H PHE 26 H PHE 26 0.719 19.266 7.330 166 HA PHE 26 HA PHE 26 2.379 17.001 6.500 167 HB2 PHE 26 1HB PHE 26 2.247 18.161 8.907 168 HB3 PHE 26 2HB PHE 26 0.948 16.989 9.108 169 HD1 PHE 26 1HD PHE 26 2.068 14.748 7.481 170 HD2 PHE 26 2HD PHE 26 3.881 17.320 10.346 171 HE1 PHE 26 1HE PHE 26 3.724 13.002 7.996 172 HE2 PHE 26 2HE PHE 26 5.541 15.579 10.865 173 HZ PHE 26 HZ PHE 26 5.463 13.417 9.688 174 H THR 27 H THR 27 1.505 15.267 5.597 175 HA THR 27 HA THR 27 -1.393 14.829 5.913 176 HB THR 27 HB THR 27 0.392 14.043 3.601 177 HG1 THR 27 1HG THR 27 -0.532 15.713 2.552 178 HG21 THR 27 1HG2 THR 27 -1.521 13.127 2.541 179 HG22 THR 27 2HG2 THR 27 -2.604 13.776 3.771 180 HG23 THR 27 3HG2 THR 27 -1.504 12.457 4.171 181 H VAL 28 H VAL 28 -1.973 13.078 7.005 182 HA VAL 28 HA VAL 28 -0.128 10.781 7.078 183 HB VAL 28 HB VAL 28 -1.847 11.768 9.359 184 HG11 VAL 28 1HG1 VAL 28 -1.539 9.274 9.145 185 HG12 VAL 28 2HG1 VAL 28 0.185 9.548 9.404 186 HG13 VAL 28 3HG1 VAL 28 -0.978 9.987 10.656 187 HG21 VAL 28 1HG2 VAL 28 1.152 11.646 9.298 188 HG22 VAL 28 2HG2 VAL 28 0.269 13.072 8.756 189 HG23 VAL 28 3HG2 VAL 28 0.105 12.515 10.421 190 H SER 29 H SER 29 -1.053 9.241 5.888 191 HA SER 29 HA SER 29 -3.864 8.577 6.434 192 HB2 SER 29 1HB SER 29 -2.545 9.021 3.776 193 HB3 SER 29 2HB SER 29 -3.886 7.884 3.910 194 HG SER 29 HG SER 29 -3.937 10.613 4.697 195 H SER 30 H SER 30 -4.435 6.354 5.942 196 HA SER 30 HA SER 30 -2.112 4.555 6.164 197 HB2 SER 30 1HB SER 30 -4.923 4.202 7.234 198 HB3 SER 30 2HB SER 30 -3.647 2.988 7.336 199 HG SER 30 HG SER 30 -3.917 5.418 8.696 200 H VAL 31 H VAL 31 -2.263 2.480 5.141 201 HA VAL 31 HA VAL 31 -4.083 2.475 2.820 202 HB VAL 31 HB VAL 31 -1.281 1.364 3.027 203 HG11 VAL 31 1HG1 VAL 31 -3.391 0.409 1.467 204 HG12 VAL 31 2HG1 VAL 31 -2.400 1.377 0.374 205 HG13 VAL 31 3HG1 VAL 31 -1.676 0.048 1.280 206 HG21 VAL 31 1HG2 VAL 31 -1.483 3.822 2.737 207 HG22 VAL 31 2HG2 VAL 31 -0.700 3.017 1.377 208 HG23 VAL 31 3HG2 VAL 31 -2.380 3.535 1.246 209 H ALA 32 H ALA 32 -5.502 0.868 2.746 210 HA ALA 32 HA ALA 32 -5.762 -1.091 4.707 211 HB1 ALA 32 1HB ALA 32 -6.851 -1.128 1.893 212 HB2 ALA 32 2HB ALA 32 -7.419 -2.123 3.234 213 HB3 ALA 32 3HB ALA 32 -7.614 -0.371 3.292 214 H ALA 33 H ALA 33 -4.288 -2.606 5.129 215 HA ALA 33 HA ALA 33 -3.484 -4.401 2.969 216 HB1 ALA 33 1HB ALA 33 -1.294 -3.703 4.813 217 HB2 ALA 33 2HB ALA 33 -1.261 -4.037 3.080 218 HB3 ALA 33 3HB ALA 33 -1.762 -2.450 3.662 219 HA PRO 34 HA PRO 34 -4.355 -7.430 6.051 220 HB2 PRO 34 1HB PRO 34 -3.101 -9.546 4.902 221 HB3 PRO 34 2HB PRO 34 -4.633 -8.898 4.305 222 HG2 PRO 34 1HG PRO 34 -1.855 -8.426 3.295 223 HG3 PRO 34 2HG PRO 34 -3.343 -8.728 2.378 224 HD2 PRO 34 1HD PRO 34 -2.311 -6.246 2.702 225 HD3 PRO 34 2HD PRO 34 -4.055 -6.544 2.572 226 H SER 35 H SER 35 -3.144 -9.175 7.313 227 HA SER 35 HA SER 35 -0.424 -8.231 7.944 228 HB2 SER 35 1HB SER 35 -0.828 -8.703 10.282 229 HB3 SER 35 2HB SER 35 -2.118 -7.656 9.692 230 HG SER 35 HG SER 35 -2.211 -10.434 10.213 231 H TRP 36 H TRP 36 -2.440 -10.859 7.126 232 HA TRP 36 HA TRP 36 -0.976 -13.005 8.213 233 HB2 TRP 36 1HB TRP 36 -2.105 -14.366 6.445 234 HB3 TRP 36 2HB TRP 36 -3.211 -13.368 7.386 235 HD1 TRP 36 HD TRP 36 -4.313 -11.245 6.133 236 HE1 TRP 36 1HE TRP 36 -4.709 -10.772 3.634 237 HE3 TRP 36 3HE TRP 36 -1.138 -14.718 4.138 238 HZ2 TRP 36 2HZ TRP 36 -3.796 -11.744 1.146 239 HZ3 TRP 36 3HZ TRP 36 -0.958 -14.883 1.689 240 HH2 TRP 36 HH TRP 36 -2.261 -13.426 0.226 241 H LEU 37 H LEU 37 -0.160 -10.801 5.797 242 HA LEU 37 HA LEU 37 1.921 -12.615 4.765 243 HB2 LEU 37 1HB LEU 37 1.906 -10.968 2.783 244 HB3 LEU 37 2HB LEU 37 0.633 -12.181 2.900 245 HG LEU 37 HG LEU 37 -0.687 -10.241 4.071 246 HD11 LEU 37 1HD1 LEU 37 0.697 -8.433 2.225 247 HD12 LEU 37 2HD1 LEU 37 1.628 -8.889 3.650 248 HD13 LEU 37 3HD1 LEU 37 0.045 -8.136 3.836 249 HD21 LEU 37 1HD2 LEU 37 -0.521 -11.269 1.448 250 HD22 LEU 37 2HD2 LEU 37 -0.706 -9.521 1.307 251 HD23 LEU 37 3HD2 LEU 37 -1.887 -10.463 2.218 252 H HIS 38 H HIS 38 1.971 -10.845 7.124 253 HA HIS 38 HA HIS 38 3.442 -8.504 6.608 254 HB2 HIS 38 1HB HIS 38 2.909 -10.198 8.995 255 HB3 HIS 38 2HB HIS 38 4.263 -9.077 9.089 256 HD2 HIS 38 2HD HIS 38 1.781 -7.255 7.041 257 HE1 HIS 38 1HE HIS 38 0.710 -6.367 11.048 258 HE2 HIS 38 2HE HIS 38 0.339 -5.803 8.622 259 H ARG 39 H ARG 39 4.377 -11.846 6.847 260 HA ARG 39 HA ARG 39 7.187 -11.313 7.135 261 HB2 ARG 39 1HB ARG 39 6.666 -13.375 8.027 262 HB3 ARG 39 2HB ARG 39 5.497 -13.744 6.767 263 HG2 ARG 39 1HG ARG 39 7.076 -14.562 5.342 264 HG3 ARG 39 2HG ARG 39 8.358 -13.545 6.002 265 HD2 ARG 39 1HD ARG 39 8.971 -15.616 6.796 266 HD3 ARG 39 2HD ARG 39 8.015 -14.998 8.142 267 HE ARG 39 HE ARG 39 6.258 -16.368 6.514 268 HH11 ARG 39 1HH1 ARG 39 9.130 -17.090 8.343 269 HH12 ARG 39 2HH1 ARG 39 8.681 -18.734 8.648 270 HH21 ARG 39 1HH2 ARG 39 5.654 -18.532 6.909 271 HH22 ARG 39 2HH2 ARG 39 6.704 -19.555 7.831 272 H PHE 40 H PHE 40 4.953 -11.599 4.525 273 HA PHE 40 HA PHE 40 7.053 -12.010 2.548 274 HB2 PHE 40 1HB PHE 40 4.052 -11.744 2.282 275 HB3 PHE 40 2HB PHE 40 5.145 -11.981 0.922 276 HD1 PHE 40 2HD PHE 40 6.726 -14.059 1.112 277 HD2 PHE 40 1HD PHE 40 3.097 -13.579 3.284 278 HE1 PHE 40 2HE PHE 40 6.604 -16.494 1.440 279 HE2 PHE 40 1HE PHE 40 2.969 -16.013 3.615 280 HZ PHE 40 HZ PHE 40 4.723 -17.474 2.692 281 H ILE 41 H ILE 41 4.902 -9.499 3.717 282 HA ILE 41 HA ILE 41 5.370 -7.625 1.651 283 HB ILE 41 HB ILE 41 3.552 -7.633 3.519 284 HG12 ILE 41 1HG1 ILE 41 4.775 -4.953 2.900 285 HG13 ILE 41 2HG1 ILE 41 4.022 -5.926 1.642 286 HG21 ILE 41 1HG2 ILE 41 5.508 -7.440 5.242 287 HG22 ILE 41 2HG2 ILE 41 5.392 -5.719 4.876 288 HG23 ILE 41 3HG2 ILE 41 3.993 -6.581 5.516 289 HD11 ILE 41 1HD1 ILE 41 2.046 -5.130 2.216 290 HD12 ILE 41 2HD1 ILE 41 2.236 -5.794 3.838 291 HD13 ILE 41 3HD1 ILE 41 2.802 -4.163 3.481 292 H ILE 42 H ILE 42 7.126 -8.491 4.530 293 HA ILE 42 HA ILE 42 8.852 -6.163 4.391 294 HB ILE 42 HB ILE 42 8.890 -8.588 6.187 295 HG12 ILE 42 1HG1 ILE 42 8.264 -5.681 6.749 296 HG13 ILE 42 2HG1 ILE 42 7.066 -6.956 6.564 297 HG21 ILE 42 1HG2 ILE 42 10.578 -7.207 7.492 298 HG22 ILE 42 2HG2 ILE 42 11.151 -7.965 6.007 299 HG23 ILE 42 3HG2 ILE 42 10.764 -6.246 6.026 300 HD11 ILE 42 1HD1 ILE 42 8.120 -8.108 8.511 301 HD12 ILE 42 2HD1 ILE 42 9.113 -6.668 8.743 302 HD13 ILE 42 3HD1 ILE 42 7.358 -6.562 8.882 303 H GLY 43 H GLY 43 9.222 -9.694 4.052 304 HA2 GLY 43 1HA GLY 43 10.490 -10.521 2.131 305 HA3 GLY 43 2HA GLY 43 11.581 -9.162 2.356 306 H LYS 44 H LYS 44 12.498 -11.776 2.168 307 HA LYS 44 HA LYS 44 12.868 -13.391 4.254 308 HB2 LYS 44 1HB LYS 44 15.350 -13.511 3.568 309 HB3 LYS 44 2HB LYS 44 14.135 -13.905 2.359 310 HG2 LYS 44 1HG LYS 44 14.387 -11.317 1.822 311 HG3 LYS 44 2HG LYS 44 15.986 -11.600 2.514 312 HD2 LYS 44 1HD LYS 44 16.548 -13.164 0.868 313 HD3 LYS 44 2HD LYS 44 14.864 -13.409 0.399 314 HE2 LYS 44 1HE LYS 44 14.906 -10.949 -0.316 315 HE3 LYS 44 2HE LYS 44 16.660 -11.077 -0.196 316 HZ1 LYS 44 1HZ LYS 44 16.523 -11.764 -2.303 317 HZ2 LYS 44 2HZ LYS 44 14.874 -12.125 -2.200 318 HZ3 LYS 44 3HZ LYS 44 16.020 -13.245 -1.660 319 H LYS 45 H LYS 45 14.290 -10.177 3.975 320 HA LYS 45 HA LYS 45 14.920 -10.288 6.844 321 HB2 LYS 45 1HB LYS 45 16.940 -10.524 5.230 322 HB3 LYS 45 2HB LYS 45 16.693 -8.810 4.920 323 HG2 LYS 45 1HG LYS 45 16.879 -9.709 7.744 324 HG3 LYS 45 2HG LYS 45 18.356 -9.663 6.778 325 HD2 LYS 45 1HD LYS 45 17.967 -7.319 6.259 326 HD3 LYS 45 2HD LYS 45 16.449 -7.354 7.158 327 HE2 LYS 45 1HE LYS 45 17.962 -6.409 8.660 328 HE3 LYS 45 2HE LYS 45 17.881 -8.100 9.154 329 HZ1 LYS 45 1HZ LYS 45 19.990 -6.939 7.414 330 HZ2 LYS 45 2HZ LYS 45 19.929 -8.529 7.988 331 HZ3 LYS 45 3HZ LYS 45 20.162 -7.249 9.069 332 H GLY 46 H GLY 46 14.761 -8.051 4.062 333 HA2 GLY 46 1HA GLY 46 12.682 -6.482 4.751 334 HA3 GLY 46 2HA GLY 46 13.960 -5.870 5.791 335 H GLN 47 H GLN 47 14.173 -7.056 2.457 336 HA GLN 47 HA GLN 47 15.673 -4.717 1.698 337 HB2 GLN 47 1HB GLN 47 14.955 -7.309 0.430 338 HB3 GLN 47 2HB GLN 47 15.342 -5.968 -0.639 339 HG2 GLN 47 1HG GLN 47 17.385 -6.979 -0.383 340 HG3 GLN 47 2HG GLN 47 17.447 -5.718 0.846 341 HE21 GLN 47 1HE2 GLN 47 19.017 -6.894 1.984 342 HE22 GLN 47 2HE2 GLN 47 18.599 -8.278 2.929 343 H ASN 48 H ASN 48 12.488 -6.080 0.986 344 HA ASN 48 HA ASN 48 11.674 -4.308 -0.993 345 HB2 ASN 48 1HB ASN 48 10.070 -5.721 1.143 346 HB3 ASN 48 2HB ASN 48 9.340 -4.833 -0.191 347 HD21 ASN 48 1HD2 ASN 48 10.540 -7.783 0.843 348 HD22 ASN 48 2HD2 ASN 48 10.579 -8.594 -0.683 349 H LEU 49 H LEU 49 11.380 -4.030 2.532 350 HA LEU 49 HA LEU 49 10.056 -1.511 2.465 351 HB2 LEU 49 1HB LEU 49 11.375 -3.164 4.569 352 HB3 LEU 49 2HB LEU 49 10.968 -1.485 4.920 353 HG LEU 49 HG LEU 49 8.862 -3.330 3.870 354 HD11 LEU 49 1HD1 LEU 49 9.582 -4.677 5.619 355 HD12 LEU 49 2HD1 LEU 49 8.320 -3.692 6.360 356 HD13 LEU 49 3HD1 LEU 49 10.018 -3.300 6.632 357 HD21 LEU 49 1HD2 LEU 49 8.436 -0.913 4.067 358 HD22 LEU 49 2HD2 LEU 49 8.794 -1.006 5.792 359 HD23 LEU 49 3HD2 LEU 49 7.403 -1.867 5.132 360 H ALA 50 H ALA 50 13.392 -2.425 3.337 361 HA ALA 50 HA ALA 50 14.495 0.019 3.817 362 HB1 ALA 50 1HB ALA 50 15.898 -2.078 2.177 363 HB2 ALA 50 2HB ALA 50 16.615 -0.899 3.275 364 HB3 ALA 50 3HB ALA 50 15.638 -2.220 3.916 365 H LYS 51 H LYS 51 13.923 -1.446 0.644 366 HA LYS 51 HA LYS 51 15.171 0.511 -0.921 367 HB2 LYS 51 1HB LYS 51 13.099 -1.572 -1.386 368 HB3 LYS 51 2HB LYS 51 13.254 -0.307 -2.596 369 HG2 LYS 51 1HG LYS 51 15.651 -1.828 -1.652 370 HG3 LYS 51 2HG LYS 51 14.588 -2.481 -2.900 371 HD2 LYS 51 1HD LYS 51 14.939 -0.444 -4.236 372 HD3 LYS 51 2HD LYS 51 16.038 0.165 -2.996 373 HE2 LYS 51 1HE LYS 51 16.424 -2.410 -4.519 374 HE3 LYS 51 2HE LYS 51 17.192 -0.878 -4.934 375 HZ1 LYS 51 1HZ LYS 51 17.499 -2.148 -2.275 376 HZ2 LYS 51 2HZ LYS 51 18.417 -0.893 -2.940 377 HZ3 LYS 51 3HZ LYS 51 18.554 -2.461 -3.561 378 H ILE 52 H ILE 52 11.706 0.166 -0.139 379 HA ILE 52 HA ILE 52 10.792 2.483 -1.343 380 HB ILE 52 HB ILE 52 9.773 1.213 1.202 381 HG12 ILE 52 1HG1 ILE 52 8.636 0.904 -1.569 382 HG13 ILE 52 2HG1 ILE 52 9.907 -0.160 -0.974 383 HG21 ILE 52 1HG2 ILE 52 7.608 2.313 0.471 384 HG22 ILE 52 2HG2 ILE 52 8.850 3.378 1.126 385 HG23 ILE 52 3HG2 ILE 52 8.591 3.292 -0.616 386 HD11 ILE 52 1HD1 ILE 52 8.238 -0.439 1.046 387 HD12 ILE 52 2HD1 ILE 52 7.059 0.029 -0.179 388 HD13 ILE 52 3HD1 ILE 52 8.078 -1.388 -0.433 389 H THR 53 H THR 53 11.570 2.101 2.121 390 HA THR 53 HA THR 53 11.309 4.751 2.871 391 HB THR 53 HB THR 53 11.588 2.994 4.525 392 HG1 THR 53 1HG THR 53 13.851 4.682 4.798 393 HG21 THR 53 1HG2 THR 53 13.279 1.698 3.176 394 HG22 THR 53 2HG2 THR 53 13.638 1.836 4.898 395 HG23 THR 53 3HG2 THR 53 14.493 2.847 3.735 396 H GLN 54 H GLN 54 14.116 3.088 1.507 397 HA GLN 54 HA GLN 54 16.018 5.094 1.824 398 HB2 GLN 54 1HB GLN 54 16.460 2.760 1.047 399 HB3 GLN 54 2HB GLN 54 15.801 3.202 -0.522 400 HG2 GLN 54 1HG GLN 54 17.560 4.783 -0.885 401 HG3 GLN 54 2HG GLN 54 18.164 4.554 0.755 402 HE21 GLN 54 1HE2 GLN 54 20.036 3.548 0.652 403 HE22 GLN 54 2HE2 GLN 54 20.398 2.169 -0.324 404 H GLN 55 H GLN 55 13.764 4.537 -0.863 405 HA GLN 55 HA GLN 55 14.640 6.822 -2.336 406 HB2 GLN 55 1HB GLN 55 13.575 4.821 -3.372 407 HB3 GLN 55 2HB GLN 55 12.055 5.282 -2.615 408 HG2 GLN 55 1HG GLN 55 11.974 6.016 -4.861 409 HG3 GLN 55 2HG GLN 55 12.191 7.447 -3.853 410 HE21 GLN 55 1HE2 GLN 55 14.181 5.012 -5.506 411 HE22 GLN 55 2HE2 GLN 55 15.332 6.134 -6.137 412 H MET 56 H MET 56 12.158 6.199 0.047 413 HA MET 56 HA MET 56 11.481 9.063 -0.001 414 HB2 MET 56 1HB MET 56 9.644 6.692 0.219 415 HB3 MET 56 2HB MET 56 9.173 8.274 0.825 416 HG2 MET 56 1HG MET 56 9.165 9.221 -1.304 417 HG3 MET 56 2HG MET 56 10.123 7.910 -1.988 418 HE1 MET 56 1HE MET 56 7.633 5.733 -3.562 419 HE2 MET 56 2HE MET 56 9.042 6.775 -3.767 420 HE3 MET 56 3HE MET 56 9.081 5.457 -2.593 421 HA PRO 57 HA PRO 57 13.045 7.967 4.188 422 HB2 PRO 57 1HB PRO 57 14.314 10.336 4.567 423 HB3 PRO 57 2HB PRO 57 15.053 8.976 3.714 424 HG2 PRO 57 1HG PRO 57 13.717 11.409 2.596 425 HG3 PRO 57 2HG PRO 57 15.214 10.616 2.075 426 HD2 PRO 57 1HD PRO 57 12.854 10.259 0.796 427 HD3 PRO 57 2HD PRO 57 14.089 8.987 0.896 428 H LYS 58 H LYS 58 11.641 11.020 3.043 429 HA LYS 58 HA LYS 58 10.807 12.035 5.505 430 HB2 LYS 58 1HB LYS 58 9.621 12.365 2.746 431 HB3 LYS 58 2HB LYS 58 9.098 13.291 4.146 432 HG2 LYS 58 1HG LYS 58 11.989 13.278 3.457 433 HG3 LYS 58 2HG LYS 58 10.883 14.232 2.466 434 HD2 LYS 58 1HD LYS 58 10.339 15.649 4.203 435 HD3 LYS 58 2HD LYS 58 10.751 14.460 5.441 436 HE2 LYS 58 1HE LYS 58 12.534 15.880 5.639 437 HE3 LYS 58 2HE LYS 58 13.168 14.756 4.438 438 HZ1 LYS 58 1HZ LYS 58 12.110 16.448 2.790 439 HZ2 LYS 58 2HZ LYS 58 13.627 16.760 3.469 440 HZ3 LYS 58 3HZ LYS 58 12.250 17.522 4.089 441 H VAL 59 H VAL 59 9.309 9.686 3.365 442 HA VAL 59 HA VAL 59 6.849 9.584 4.859 443 HB VAL 59 HB VAL 59 7.904 7.706 2.739 444 HG11 VAL 59 1HG1 VAL 59 5.851 6.650 2.695 445 HG12 VAL 59 2HG1 VAL 59 6.071 6.940 4.422 446 HG13 VAL 59 3HG1 VAL 59 5.023 7.997 3.476 447 HG21 VAL 59 1HG2 VAL 59 7.619 9.930 1.851 448 HG22 VAL 59 2HG2 VAL 59 6.315 8.901 1.261 449 HG23 VAL 59 3HG2 VAL 59 6.011 10.048 2.564 450 H HIS 60 H HIS 60 6.538 8.497 6.679 451 HA HIS 60 HA HIS 60 8.494 6.466 7.474 452 HB2 HIS 60 1HB HIS 60 6.645 8.283 8.940 453 HB3 HIS 60 2HB HIS 60 7.036 6.737 9.688 454 HD1 HIS 60 1HD HIS 60 9.935 6.393 9.310 455 HD2 HIS 60 2HD HIS 60 8.271 10.131 10.032 456 HE1 HIS 60 1HE HIS 60 11.809 7.797 10.227 457 H ILE 61 H ILE 61 8.009 4.410 7.131 458 HA ILE 61 HA ILE 61 5.243 3.614 6.697 459 HB ILE 61 HB ILE 61 7.751 1.944 6.499 460 HG12 ILE 61 1HG1 ILE 61 6.210 2.948 4.136 461 HG13 ILE 61 2HG1 ILE 61 7.364 4.019 4.925 462 HG21 ILE 61 1HG2 ILE 61 5.449 1.154 4.912 463 HG22 ILE 61 2HG2 ILE 61 6.465 0.196 5.988 464 HG23 ILE 61 3HG2 ILE 61 5.121 1.130 6.644 465 HD11 ILE 61 1HD1 ILE 61 9.174 2.653 4.378 466 HD12 ILE 61 2HD1 ILE 61 8.136 1.272 4.017 467 HD13 ILE 61 3HD1 ILE 61 8.168 2.660 2.929 468 H GLU 62 H GLU 62 4.058 2.354 8.030 469 HA GLU 62 HA GLU 62 5.362 1.146 10.362 470 HB2 GLU 62 1HB GLU 62 4.539 3.235 11.212 471 HB3 GLU 62 2HB GLU 62 2.980 3.001 10.433 472 HG2 GLU 62 1HG GLU 62 2.545 2.491 12.641 473 HG3 GLU 62 2HG GLU 62 2.794 0.906 11.911 474 H PHE 63 H PHE 63 4.331 -0.673 11.198 475 HA PHE 63 HA PHE 63 2.120 -1.719 9.555 476 HB2 PHE 63 1HB PHE 63 4.650 -2.982 10.478 477 HB3 PHE 63 2HB PHE 63 3.208 -3.992 10.450 478 HD1 PHE 63 2HD PHE 63 1.770 -3.464 8.148 479 HD2 PHE 63 1HD PHE 63 5.991 -3.250 8.651 480 HE1 PHE 63 2HE PHE 63 2.072 -3.829 5.734 481 HE2 PHE 63 1HE PHE 63 6.300 -3.614 6.238 482 HZ PHE 63 HZ PHE 63 4.340 -3.905 4.776 483 H THR 64 H THR 64 0.365 -2.504 10.582 484 HA THR 64 HA THR 64 0.423 -2.495 13.528 485 HB THR 64 HB THR 64 -2.095 -2.196 13.323 486 HG1 THR 64 1HG THR 64 -2.407 -1.008 11.122 487 HG21 THR 64 1HG2 THR 64 -0.955 0.208 12.070 488 HG22 THR 64 2HG2 THR 64 -0.087 -0.371 13.492 489 HG23 THR 64 3HG2 THR 64 -1.802 0.022 13.604 490 H GLU 65 H GLU 65 -0.593 -4.156 14.662 491 HA GLU 65 HA GLU 65 -0.755 -6.666 13.213 492 HB2 GLU 65 1HB GLU 65 0.461 -6.727 15.278 493 HB3 GLU 65 2HB GLU 65 -0.872 -5.984 16.151 494 HG2 GLU 65 1HG GLU 65 -0.856 -8.288 16.698 495 HG3 GLU 65 2HG GLU 65 -2.238 -8.007 15.639 496 H GLY 66 H GLY 66 -2.848 -4.774 15.391 497 HA2 GLY 66 1HA GLY 66 -5.130 -6.451 14.778 498 HA3 GLY 66 2HA GLY 66 -5.114 -5.056 15.847 499 H GLU 67 H GLU 67 -4.503 -2.950 14.465 500 HA GLU 67 HA GLU 67 -6.699 -2.179 13.068 501 HB2 GLU 67 1HB GLU 67 -3.871 -1.275 12.493 502 HB3 GLU 67 2HB GLU 67 -5.336 -0.404 12.059 503 HG2 GLU 67 1HG GLU 67 -5.887 -0.186 14.445 504 HG3 GLU 67 2HG GLU 67 -4.377 -0.999 14.849 505 H ASP 68 H ASP 68 -3.912 -3.909 11.808 506 HA ASP 68 HA ASP 68 -3.554 -5.022 9.857 507 HB2 ASP 68 1HB ASP 68 -6.521 -4.986 10.082 508 HB3 ASP 68 2HB ASP 68 -5.835 -5.436 8.523 509 H LYS 69 H LYS 69 -2.956 -2.411 9.709 510 HA LYS 69 HA LYS 69 -3.371 -1.848 6.911 511 HB2 LYS 69 1HB LYS 69 -4.426 0.248 7.103 512 HB3 LYS 69 2HB LYS 69 -5.334 -0.809 8.177 513 HG2 LYS 69 1HG LYS 69 -4.248 0.110 10.102 514 HG3 LYS 69 2HG LYS 69 -3.147 1.048 9.088 515 HD2 LYS 69 1HD LYS 69 -4.712 2.641 9.653 516 HD3 LYS 69 2HD LYS 69 -5.360 2.050 8.121 517 HE2 LYS 69 1HE LYS 69 -6.206 0.928 10.780 518 HE3 LYS 69 2HE LYS 69 -7.006 2.312 10.038 519 HZ1 LYS 69 1HZ LYS 69 -8.272 0.589 9.266 520 HZ2 LYS 69 2HZ LYS 69 -6.978 -0.496 9.183 521 HZ3 LYS 69 3HZ LYS 69 -7.148 0.710 8.008 522 H ILE 70 H ILE 70 -2.017 -0.058 6.152 523 HA ILE 70 HA ILE 70 0.398 0.179 7.807 524 HB ILE 70 HB ILE 70 0.082 0.657 4.841 525 HG12 ILE 70 1HG1 ILE 70 1.454 -1.645 6.239 526 HG13 ILE 70 2HG1 ILE 70 -0.191 -1.727 5.619 527 HG21 ILE 70 1HG2 ILE 70 1.960 1.761 6.400 528 HG22 ILE 70 2HG2 ILE 70 2.730 0.210 6.070 529 HG23 ILE 70 3HG2 ILE 70 2.260 1.262 4.736 530 HD11 ILE 70 1HD1 ILE 70 2.149 -1.023 3.880 531 HD12 ILE 70 2HD1 ILE 70 1.627 -2.686 4.155 532 HD13 ILE 70 3HD1 ILE 70 0.532 -1.533 3.393 533 H THR 71 H THR 71 0.612 2.018 8.881 534 HA THR 71 HA THR 71 -0.816 4.401 8.060 535 HB THR 71 HB THR 71 1.041 3.987 10.412 536 HG1 THR 71 1HG THR 71 -0.717 2.733 10.798 537 HG21 THR 71 1HG2 THR 71 -1.061 6.105 10.246 538 HG22 THR 71 2HG2 THR 71 0.501 6.370 9.473 539 HG23 THR 71 3HG2 THR 71 0.416 6.064 11.208 540 H LEU 72 H LEU 72 0.009 5.922 6.793 541 HA LEU 72 HA LEU 72 2.933 6.059 6.481 542 HB2 LEU 72 1HB LEU 72 0.666 6.662 4.613 543 HB3 LEU 72 2HB LEU 72 2.277 7.324 4.339 544 HG LEU 72 HG LEU 72 1.913 5.347 2.980 545 HD11 LEU 72 1HD1 LEU 72 4.159 5.873 4.005 546 HD12 LEU 72 2HD1 LEU 72 3.918 4.205 3.485 547 HD13 LEU 72 3HD1 LEU 72 3.811 4.618 5.196 548 HD21 LEU 72 1HD2 LEU 72 1.883 3.508 5.287 549 HD22 LEU 72 2HD2 LEU 72 1.084 3.381 3.719 550 HD23 LEU 72 3HD2 LEU 72 0.391 4.398 4.983 551 H GLU 73 H GLU 73 3.995 7.915 6.899 552 HA GLU 73 HA GLU 73 2.384 10.297 7.539 553 HB2 GLU 73 1HB GLU 73 3.173 9.351 9.615 554 HB3 GLU 73 2HB GLU 73 4.811 9.237 8.989 555 HG2 GLU 73 1HG GLU 73 4.933 11.677 8.871 556 HG3 GLU 73 2HG GLU 73 3.296 11.783 9.518 557 H GLY 74 H GLY 74 2.865 12.007 6.335 558 HA2 GLY 74 1HA GLY 74 5.211 13.225 5.849 559 HA3 GLY 74 2HA GLY 74 5.216 11.954 4.637 560 HA PRO 75 HA PRO 75 3.057 15.755 2.973 561 HB2 PRO 75 1HB PRO 75 4.618 16.007 0.765 562 HB3 PRO 75 2HB PRO 75 5.016 16.758 2.315 563 HG2 PRO 75 1HG PRO 75 6.063 14.225 1.113 564 HG3 PRO 75 2HG PRO 75 6.945 15.508 1.963 565 HD2 PRO 75 1HD PRO 75 6.243 13.184 3.161 566 HD3 PRO 75 2HD PRO 75 6.336 14.722 4.043 567 H THR 76 H THR 76 1.348 15.502 1.668 568 HA THR 76 HA THR 76 0.446 13.153 0.650 569 HB THR 76 HB THR 76 -1.007 15.071 0.724 570 HG1 THR 76 1HG THR 76 -1.737 14.979 -1.597 571 HG21 THR 76 1HG2 THR 76 -0.248 17.071 0.098 572 HG22 THR 76 2HG2 THR 76 -0.373 16.546 -1.582 573 HG23 THR 76 3HG2 THR 76 1.141 16.338 -0.703 574 H GLU 77 H GLU 77 2.795 15.290 -0.796 575 HA GLU 77 HA GLU 77 2.742 14.324 -3.427 576 HB2 GLU 77 1HB GLU 77 3.926 16.379 -2.710 577 HB3 GLU 77 2HB GLU 77 5.121 15.383 -1.890 578 HG2 GLU 77 1HG GLU 77 5.866 14.456 -3.967 579 HG3 GLU 77 2HG GLU 77 4.562 15.255 -4.842 580 H ASP 78 H ASP 78 4.965 13.449 -0.777 581 HA ASP 78 HA ASP 78 6.057 11.236 -2.222 582 HB2 ASP 78 1HB ASP 78 6.307 12.200 0.619 583 HB3 ASP 78 2HB ASP 78 7.038 10.687 0.094 584 H VAL 79 H VAL 79 3.838 11.537 0.539 585 HA VAL 79 HA VAL 79 3.407 8.918 1.180 586 HB VAL 79 HB VAL 79 1.290 11.066 1.001 587 HG11 VAL 79 1HG1 VAL 79 -0.128 9.753 2.240 588 HG12 VAL 79 2HG1 VAL 79 0.671 8.528 1.254 589 HG13 VAL 79 3HG1 VAL 79 1.181 8.790 2.922 590 HG21 VAL 79 1HG2 VAL 79 3.407 11.464 2.400 591 HG22 VAL 79 2HG2 VAL 79 1.843 11.697 3.180 592 HG23 VAL 79 3HG2 VAL 79 2.763 10.222 3.473 593 H SER 80 H SER 80 1.975 10.721 -1.504 594 HA SER 80 HA SER 80 0.181 8.723 -2.355 595 HB2 SER 80 1HB SER 80 0.322 11.216 -3.046 596 HB3 SER 80 2HB SER 80 1.488 10.664 -4.248 597 HG SER 80 HG SER 80 -0.914 9.267 -4.064 598 H VAL 81 H VAL 81 3.523 9.448 -3.279 599 HA VAL 81 HA VAL 81 3.711 7.457 -5.291 600 HB VAL 81 HB VAL 81 5.897 8.776 -3.676 601 HG11 VAL 81 1HG1 VAL 81 6.570 7.781 -6.332 602 HG12 VAL 81 2HG1 VAL 81 7.437 7.612 -4.803 603 HG13 VAL 81 3HG1 VAL 81 6.124 6.503 -5.202 604 HG21 VAL 81 1HG2 VAL 81 4.777 9.400 -6.406 605 HG22 VAL 81 2HG2 VAL 81 4.591 10.376 -4.949 606 HG23 VAL 81 3HG2 VAL 81 6.184 10.178 -5.681 607 H ALA 82 H ALA 82 4.727 7.529 -1.885 608 HA ALA 82 HA ALA 82 5.813 4.927 -1.834 609 HB1 ALA 82 1HB ALA 82 5.160 7.005 0.114 610 HB2 ALA 82 2HB ALA 82 5.026 5.364 0.745 611 HB3 ALA 82 3HB ALA 82 6.544 5.915 0.036 612 H GLN 83 H GLN 83 2.702 6.103 -0.532 613 HA GLN 83 HA GLN 83 1.619 3.690 0.222 614 HB2 GLN 83 1HB GLN 83 -0.443 4.759 0.329 615 HB3 GLN 83 2HB GLN 83 0.691 6.097 0.461 616 HG2 GLN 83 1HG GLN 83 0.384 6.623 -1.884 617 HG3 GLN 83 2HG GLN 83 -0.699 5.245 -2.068 618 HE21 GLN 83 1HE2 GLN 83 -2.788 5.389 -1.368 619 HE22 GLN 83 2HE2 GLN 83 -3.505 6.859 -0.812 620 H GLU 84 H GLU 84 1.448 5.236 -2.969 621 HA GLU 84 HA GLU 84 -0.176 3.345 -4.227 622 HB2 GLU 84 1HB GLU 84 0.532 5.607 -5.119 623 HB3 GLU 84 2HB GLU 84 2.064 4.866 -5.561 624 HG2 GLU 84 1HG GLU 84 0.725 3.201 -6.907 625 HG3 GLU 84 2HG GLU 84 -0.669 4.245 -6.636 626 H GLN 85 H GLN 85 3.360 3.497 -3.956 627 HA GLN 85 HA GLN 85 4.022 1.316 -5.533 628 HB2 GLN 85 1HB GLN 85 5.311 2.554 -3.122 629 HB3 GLN 85 2HB GLN 85 5.998 1.110 -3.854 630 HG2 GLN 85 1HG GLN 85 5.848 2.508 -6.053 631 HG3 GLN 85 2HG GLN 85 5.795 3.875 -4.942 632 HE21 GLN 85 1HE2 GLN 85 7.805 4.524 -5.882 633 HE22 GLN 85 2HE2 GLN 85 9.282 3.793 -5.366 634 H ILE 86 H ILE 86 3.270 1.381 -2.059 635 HA ILE 86 HA ILE 86 3.556 -1.423 -1.695 636 HB ILE 86 HB ILE 86 2.027 0.570 -0.017 637 HG12 ILE 86 1HG1 ILE 86 4.774 -0.558 0.511 638 HG13 ILE 86 2HG1 ILE 86 4.531 0.934 -0.392 639 HG21 ILE 86 1HG2 ILE 86 2.426 -1.155 1.785 640 HG22 ILE 86 2HG2 ILE 86 1.244 -1.586 0.551 641 HG23 ILE 86 3HG2 ILE 86 2.867 -2.271 0.493 642 HD11 ILE 86 1HD1 ILE 86 4.826 1.809 1.671 643 HD12 ILE 86 2HD1 ILE 86 3.086 1.532 1.752 644 HD13 ILE 86 3HD1 ILE 86 4.198 0.380 2.491 645 H GLU 87 H GLU 87 0.896 0.655 -2.617 646 HA GLU 87 HA GLU 87 -1.227 -1.126 -2.163 647 HB2 GLU 87 1HB GLU 87 -0.845 1.215 -4.003 648 HB3 GLU 87 2HB GLU 87 -2.313 0.250 -4.078 649 HG2 GLU 87 1HG GLU 87 -1.344 1.448 -1.509 650 HG3 GLU 87 2HG GLU 87 -2.342 2.354 -2.643 651 H GLY 88 H GLY 88 1.171 -0.974 -4.661 652 HA2 GLY 88 1HA GLY 88 -0.291 -2.677 -6.488 653 HA3 GLY 88 2HA GLY 88 1.358 -2.103 -6.686 654 H MET 89 H MET 89 2.672 -3.028 -4.537 655 HA MET 89 HA MET 89 3.086 -5.743 -5.156 656 HB2 MET 89 1HB MET 89 4.544 -5.738 -3.123 657 HB3 MET 89 2HB MET 89 4.899 -4.450 -4.267 658 HG2 MET 89 1HG MET 89 4.942 -3.240 -2.360 659 HG3 MET 89 2HG MET 89 3.220 -3.119 -2.711 660 HE1 MET 89 1HE MET 89 5.094 -3.562 0.757 661 HE2 MET 89 2HE MET 89 5.494 -5.254 0.467 662 HE3 MET 89 3HE MET 89 5.961 -4.023 -0.707 663 H VAL 90 H VAL 90 1.011 -4.156 -2.871 664 HA VAL 90 HA VAL 90 0.573 -6.354 -1.133 665 HB VAL 90 HB VAL 90 -0.972 -3.837 -1.690 666 HG11 VAL 90 1HG1 VAL 90 -1.889 -6.278 -0.320 667 HG12 VAL 90 2HG1 VAL 90 -2.154 -4.765 0.550 668 HG13 VAL 90 3HG1 VAL 90 -2.815 -4.979 -1.072 669 HG21 VAL 90 1HG2 VAL 90 0.257 -4.774 0.887 670 HG22 VAL 90 2HG2 VAL 90 1.185 -3.903 -0.334 671 HG23 VAL 90 3HG2 VAL 90 -0.212 -3.138 0.423 672 H LYS 91 H LYS 91 -1.573 -4.959 -3.622 673 HA LYS 91 HA LYS 91 -3.470 -6.995 -3.611 674 HB2 LYS 91 1HB LYS 91 -3.551 -4.696 -4.756 675 HB3 LYS 91 2HB LYS 91 -2.713 -5.469 -6.095 676 HG2 LYS 91 1HG LYS 91 -4.568 -7.107 -6.244 677 HG3 LYS 91 2HG LYS 91 -5.421 -6.193 -4.996 678 HD2 LYS 91 1HD LYS 91 -5.819 -4.404 -6.391 679 HD3 LYS 91 2HD LYS 91 -4.433 -4.766 -7.424 680 HE2 LYS 91 1HE LYS 91 -5.600 -6.674 -8.363 681 HE3 LYS 91 2HE LYS 91 -6.962 -6.404 -7.277 682 HZ1 LYS 91 1HZ LYS 91 -7.470 -4.374 -8.366 683 HZ2 LYS 91 2HZ LYS 91 -7.277 -5.542 -9.573 684 HZ3 LYS 91 3HZ LYS 91 -6.048 -4.417 -9.280 685 H ASP 92 H ASP 92 -0.609 -6.608 -5.685 686 HA ASP 92 HA ASP 92 -0.955 -8.866 -7.274 687 HB2 ASP 92 1HB ASP 92 0.809 -6.942 -7.389 688 HB3 ASP 92 2HB ASP 92 1.781 -8.015 -6.386 689 H LEU 93 H LEU 93 0.651 -8.531 -4.135 690 HA LEU 93 HA LEU 93 1.593 -11.185 -3.968 691 HB2 LEU 93 1HB LEU 93 1.085 -9.007 -1.987 692 HB3 LEU 93 2HB LEU 93 1.487 -10.629 -1.425 693 HG LEU 93 HG LEU 93 3.224 -9.001 -3.275 694 HD11 LEU 93 1HD1 LEU 93 3.661 -7.774 -1.456 695 HD12 LEU 93 2HD1 LEU 93 4.558 -9.187 -0.903 696 HD13 LEU 93 3HD1 LEU 93 2.896 -8.935 -0.370 697 HD21 LEU 93 1HD2 LEU 93 4.937 -10.671 -2.458 698 HD22 LEU 93 2HD2 LEU 93 3.699 -11.300 -3.547 699 HD23 LEU 93 3HD2 LEU 93 3.587 -11.604 -1.812 700 H ILE 94 H ILE 94 -1.481 -9.704 -3.234 701 HA ILE 94 HA ILE 94 -2.492 -12.008 -1.817 702 HB ILE 94 HB ILE 94 -3.953 -9.573 -2.849 703 HG12 ILE 94 1HG1 ILE 94 -3.187 -10.184 0.002 704 HG13 ILE 94 2HG1 ILE 94 -2.133 -9.270 -1.071 705 HG21 ILE 94 1HG2 ILE 94 -5.409 -10.573 -0.761 706 HG22 ILE 94 2HG2 ILE 94 -5.766 -10.826 -2.469 707 HG23 ILE 94 3HG2 ILE 94 -4.855 -12.039 -1.570 708 HD11 ILE 94 1HD1 ILE 94 -3.481 -7.827 0.371 709 HD12 ILE 94 2HD1 ILE 94 -3.838 -7.575 -1.338 710 HD13 ILE 94 3HD1 ILE 94 -4.948 -8.506 -0.333 711 H ASN 95 H ASN 95 -2.594 -10.717 -5.066 712 HA ASN 95 HA ASN 95 -4.727 -12.271 -6.056 713 HB2 ASN 95 1HB ASN 95 -2.444 -10.783 -7.288 714 HB3 ASN 95 2HB ASN 95 -3.378 -11.888 -8.294 715 HD21 ASN 95 1HD2 ASN 95 -3.398 -9.350 -9.028 716 HD22 ASN 95 2HD2 ASN 95 -4.903 -8.590 -8.653 717 H ARG 96 H ARG 96 -1.270 -12.882 -5.767 718 HA ARG 96 HA ARG 96 -0.920 -15.097 -7.330 719 HB2 ARG 96 1HB ARG 96 0.238 -14.294 -4.686 720 HB3 ARG 96 2HB ARG 96 0.647 -15.861 -5.371 721 HG2 ARG 96 1HG ARG 96 0.919 -13.462 -7.101 722 HG3 ARG 96 2HG ARG 96 2.112 -13.721 -5.827 723 HD2 ARG 96 1HD ARG 96 3.100 -14.868 -7.543 724 HD3 ARG 96 2HD ARG 96 2.145 -16.159 -6.817 725 HE ARG 96 HE ARG 96 0.831 -16.209 -8.700 726 HH11 ARG 96 1HH1 ARG 96 2.799 -13.338 -8.728 727 HH12 ARG 96 2HH1 ARG 96 2.388 -12.914 -10.357 728 HH21 ARG 96 1HH2 ARG 96 0.281 -15.661 -10.845 729 HH22 ARG 96 2HH2 ARG 96 0.956 -14.235 -11.560 730 H SER 97 H SER 97 -1.830 -15.218 -3.879 731 HA SER 97 HA SER 97 -2.458 -17.988 -3.949 732 HB2 SER 97 1HB SER 97 -1.851 -17.103 -1.834 733 HB3 SER 97 2HB SER 97 -3.026 -15.794 -1.957 734 HG SER 97 HG SER 97 -4.124 -17.164 -0.751 735 H GLY 98 H GLY 98 -4.443 -19.029 -3.987 736 HA2 GLY 98 1HA GLY 98 -6.961 -18.412 -3.779 737 HA3 GLY 98 2HA GLY 98 -6.601 -17.457 -5.209 738 HA PRO 99 HA PRO 99 -6.312 -22.205 -6.271 739 HB2 PRO 99 1HB PRO 99 -7.916 -23.751 -4.717 740 HB3 PRO 99 2HB PRO 99 -6.215 -23.447 -4.340 741 HG2 PRO 99 1HG PRO 99 -8.666 -22.143 -3.221 742 HG3 PRO 99 2HG PRO 99 -7.207 -22.693 -2.377 743 HD2 PRO 99 1HD PRO 99 -7.630 -20.095 -3.013 744 HD3 PRO 99 2HD PRO 99 -6.007 -20.814 -2.963 745 H SER 100 H SER 100 -8.746 -20.030 -5.841 746 HA SER 100 HA SER 100 -10.927 -21.561 -6.946 747 HB2 SER 100 1HB SER 100 -11.404 -19.747 -5.379 748 HB3 SER 100 2HB SER 100 -10.637 -18.585 -6.462 749 HG SER 100 HG SER 100 -12.674 -20.145 -7.532 750 H SER 101 H SER 101 -10.442 -22.275 -8.969 751 HA SER 101 HA SER 101 -10.058 -20.201 -11.018 752 HB2 SER 101 1HB SER 101 -7.906 -21.166 -10.893 753 HB3 SER 101 2HB SER 101 -8.556 -22.794 -10.700 754 HG SER 101 HG SER 101 -9.129 -21.347 -13.035 755 H GLY 102 H GLY 102 -11.052 -20.574 -13.007 756 HA2 GLY 102 1HA GLY 102 -12.380 -23.013 -13.647 757 HA3 GLY 102 2HA GLY 102 -13.515 -21.832 -13.008 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -28.672 -11.438 -50.947 2 HA2 GLY 1 1HA GLY 1 -27.125 -11.657 -48.673 3 HA3 GLY 1 2HA GLY 1 -26.154 -12.349 -49.964 4 H SER 2 H SER 2 -25.595 -9.984 -48.400 5 HA SER 2 HA SER 2 -24.931 -8.214 -50.552 6 HB2 SER 2 1HB SER 2 -26.149 -6.262 -49.813 7 HB3 SER 2 2HB SER 2 -27.302 -7.572 -50.061 8 HG SER 2 HG SER 2 -27.818 -7.430 -48.038 9 H SER 3 H SER 3 -23.651 -6.341 -49.792 10 HA SER 3 HA SER 3 -22.732 -6.229 -47.096 11 HB2 SER 3 1HB SER 3 -21.596 -8.313 -48.198 12 HB3 SER 3 2HB SER 3 -20.586 -7.111 -49.001 13 HG SER 3 HG SER 3 -20.871 -7.596 -46.229 14 H GLY 4 H GLY 4 -22.481 -4.114 -46.852 15 HA2 GLY 4 1HA GLY 4 -21.412 -2.556 -49.116 16 HA3 GLY 4 2HA GLY 4 -22.460 -1.912 -47.860 17 H SER 5 H SER 5 -20.769 -0.236 -47.765 18 HA SER 5 HA SER 5 -19.084 -0.628 -45.533 19 HB2 SER 5 1HB SER 5 -17.736 -1.859 -47.226 20 HB3 SER 5 2HB SER 5 -17.631 -0.377 -48.176 21 HG SER 5 HG SER 5 -16.863 -0.284 -45.491 22 H SER 6 H SER 6 -18.816 1.287 -44.585 23 HA SER 6 HA SER 6 -18.533 3.708 -46.162 24 HB2 SER 6 1HB SER 6 -20.397 4.865 -45.064 25 HB3 SER 6 2HB SER 6 -20.977 3.459 -45.957 26 HG SER 6 HG SER 6 -21.547 3.954 -43.533 27 H GLY 7 H GLY 7 -18.511 5.662 -44.485 28 HA2 GLY 7 1HA GLY 7 -17.860 5.526 -41.866 29 HA3 GLY 7 2HA GLY 7 -16.373 5.012 -42.649 30 H GLU 8 H GLU 8 -16.857 7.375 -41.016 31 HA GLU 8 HA GLU 8 -15.903 9.365 -42.940 32 HB2 GLU 8 1HB GLU 8 -18.073 9.871 -40.895 33 HB3 GLU 8 2HB GLU 8 -17.289 11.115 -41.860 34 HG2 GLU 8 1HG GLU 8 -18.378 10.522 -43.772 35 HG3 GLU 8 2HG GLU 8 -18.559 8.838 -43.278 36 HA PRO 9 HA PRO 9 -12.826 10.062 -39.873 37 HB2 PRO 9 1HB PRO 9 -12.023 12.545 -40.619 38 HB3 PRO 9 2HB PRO 9 -11.616 11.088 -41.535 39 HG2 PRO 9 1HG PRO 9 -13.772 13.104 -42.039 40 HG3 PRO 9 2HG PRO 9 -12.672 12.330 -43.194 41 HD2 PRO 9 1HD PRO 9 -15.233 11.518 -42.854 42 HD3 PRO 9 2HD PRO 9 -13.925 10.398 -43.286 43 H GLU 10 H GLU 10 -12.161 11.734 -38.230 44 HA GLU 10 HA GLU 10 -13.879 13.820 -37.448 45 HB2 GLU 10 1HB GLU 10 -14.901 12.825 -35.450 46 HB3 GLU 10 2HB GLU 10 -15.446 12.027 -36.919 47 HG2 GLU 10 1HG GLU 10 -13.210 10.952 -35.229 48 HG3 GLU 10 2HG GLU 10 -14.901 10.539 -34.955 49 H LYS 11 H LYS 11 -12.823 15.120 -36.070 50 HA LYS 11 HA LYS 11 -10.762 14.014 -34.320 51 HB2 LYS 11 1HB LYS 11 -9.891 14.874 -36.659 52 HB3 LYS 11 2HB LYS 11 -10.057 16.452 -35.900 53 HG2 LYS 11 1HG LYS 11 -8.594 14.329 -34.426 54 HG3 LYS 11 2HG LYS 11 -7.803 15.102 -35.801 55 HD2 LYS 11 1HD LYS 11 -9.102 16.744 -33.656 56 HD3 LYS 11 2HD LYS 11 -7.471 16.103 -33.438 57 HE2 LYS 11 1HE LYS 11 -8.210 17.630 -35.910 58 HE3 LYS 11 2HE LYS 11 -7.764 18.473 -34.427 59 HZ1 LYS 11 1HZ LYS 11 -6.107 16.641 -36.053 60 HZ2 LYS 11 2HZ LYS 11 -5.695 17.045 -34.464 61 HZ3 LYS 11 3HZ LYS 11 -5.793 18.253 -35.645 62 H LEU 12 H LEU 12 -11.429 14.672 -32.383 63 HA LEU 12 HA LEU 12 -12.504 17.393 -32.102 64 HB2 LEU 12 1HB LEU 12 -12.708 15.086 -30.175 65 HB3 LEU 12 2HB LEU 12 -13.525 16.642 -30.046 66 HG LEU 12 HG LEU 12 -14.544 15.883 -32.374 67 HD11 LEU 12 1HD1 LEU 12 -14.758 13.605 -32.700 68 HD12 LEU 12 2HD1 LEU 12 -14.343 13.220 -31.031 69 HD13 LEU 12 3HD1 LEU 12 -13.087 13.749 -32.151 70 HD21 LEU 12 1HD2 LEU 12 -15.589 16.331 -30.030 71 HD22 LEU 12 2HD2 LEU 12 -15.676 14.571 -29.940 72 HD23 LEU 12 3HD2 LEU 12 -16.502 15.431 -31.242 73 H GLY 13 H GLY 13 -11.278 18.892 -31.177 74 HA2 GLY 13 1HA GLY 13 -8.937 18.004 -29.620 75 HA3 GLY 13 2HA GLY 13 -9.059 19.534 -30.477 76 H GLN 14 H GLN 14 -10.407 17.713 -27.752 77 HA GLN 14 HA GLN 14 -10.796 20.279 -26.362 78 HB2 GLN 14 1HB GLN 14 -12.593 17.851 -26.292 79 HB3 GLN 14 2HB GLN 14 -12.747 19.227 -25.207 80 HG2 GLN 14 1HG GLN 14 -13.075 20.677 -27.203 81 HG3 GLN 14 2HG GLN 14 -13.097 19.219 -28.194 82 HE21 GLN 14 1HE2 GLN 14 -15.210 19.686 -28.861 83 HE22 GLN 14 2HE2 GLN 14 -16.567 19.425 -27.824 84 H ALA 15 H ALA 15 -8.689 19.935 -25.457 85 HA ALA 15 HA ALA 15 -8.720 17.980 -23.254 86 HB1 ALA 15 1HB ALA 15 -6.769 18.304 -25.398 87 HB2 ALA 15 2HB ALA 15 -6.053 18.310 -23.787 88 HB3 ALA 15 3HB ALA 15 -7.042 16.946 -24.307 89 H LEU 16 H LEU 16 -8.453 18.854 -21.307 90 HA LEU 16 HA LEU 16 -7.023 21.411 -21.077 91 HB2 LEU 16 1HB LEU 16 -8.663 22.374 -19.719 92 HB3 LEU 16 2HB LEU 16 -9.548 21.653 -21.062 93 HG LEU 16 HG LEU 16 -9.756 19.639 -19.336 94 HD11 LEU 16 1HD1 LEU 16 -8.392 20.861 -17.642 95 HD12 LEU 16 2HD1 LEU 16 -9.988 20.371 -17.077 96 HD13 LEU 16 3HD1 LEU 16 -9.691 22.049 -17.531 97 HD21 LEU 16 1HD2 LEU 16 -11.955 20.368 -18.889 98 HD22 LEU 16 2HD2 LEU 16 -11.542 21.026 -20.473 99 HD23 LEU 16 3HD2 LEU 16 -11.508 22.066 -19.047 100 H THR 17 H THR 17 -5.703 21.600 -19.337 101 HA THR 17 HA THR 17 -5.603 19.297 -17.503 102 HB THR 17 HB THR 17 -3.204 19.917 -17.145 103 HG1 THR 17 1HG THR 17 -2.288 21.333 -18.733 104 HG21 THR 17 1HG2 THR 17 -2.525 18.580 -18.854 105 HG22 THR 17 2HG2 THR 17 -3.422 19.492 -20.068 106 HG23 THR 17 3HG2 THR 17 -4.262 18.336 -19.034 107 H GLU 18 H GLU 18 -5.027 19.698 -15.295 108 HA GLU 18 HA GLU 18 -5.699 22.427 -14.407 109 HB2 GLU 18 1HB GLU 18 -6.477 21.281 -12.280 110 HB3 GLU 18 2HB GLU 18 -7.472 21.027 -13.706 111 HG2 GLU 18 1HG GLU 18 -5.345 19.043 -13.129 112 HG3 GLU 18 2HG GLU 18 -6.779 19.048 -12.102 113 H VAL 19 H VAL 19 -3.174 22.300 -14.922 114 HA VAL 19 HA VAL 19 -1.639 21.276 -12.680 115 HB VAL 19 HB VAL 19 -0.644 22.913 -15.014 116 HG11 VAL 19 1HG1 VAL 19 1.381 21.271 -14.259 117 HG12 VAL 19 2HG1 VAL 19 1.184 22.934 -13.706 118 HG13 VAL 19 3HG1 VAL 19 0.609 21.598 -12.708 119 HG21 VAL 19 1HG2 VAL 19 -1.311 21.138 -16.230 120 HG22 VAL 19 2HG2 VAL 19 0.139 20.384 -15.565 121 HG23 VAL 19 3HG2 VAL 19 -1.433 20.084 -14.822 122 H TYR 20 H TYR 20 -3.589 23.725 -12.745 123 HA TYR 20 HA TYR 20 -1.772 25.783 -11.742 124 HB2 TYR 20 1HB TYR 20 -3.836 26.105 -13.366 125 HB3 TYR 20 2HB TYR 20 -4.731 26.169 -11.853 126 HD1 TYR 20 1HD TYR 20 -2.071 27.796 -13.829 127 HD2 TYR 20 2HD TYR 20 -4.624 28.082 -10.437 128 HE1 TYR 20 1HE TYR 20 -1.459 30.165 -13.575 129 HE2 TYR 20 2HE TYR 20 -4.021 30.451 -10.175 130 HH TYR 20 HH TYR 20 -3.156 32.295 -11.560 131 H ALA 21 H ALA 21 -2.383 23.275 -10.278 132 HA ALA 21 HA ALA 21 -3.618 24.438 -7.868 133 HB1 ALA 21 1HB ALA 21 -4.132 22.129 -7.187 134 HB2 ALA 21 2HB ALA 21 -4.894 22.564 -8.718 135 HB3 ALA 21 3HB ALA 21 -3.455 21.547 -8.709 136 H LYS 22 H LYS 22 -2.589 24.240 -5.903 137 HA LYS 22 HA LYS 22 0.065 22.980 -5.889 138 HB2 LYS 22 1HB LYS 22 0.884 24.923 -4.520 139 HB3 LYS 22 2HB LYS 22 0.549 25.296 -6.205 140 HG2 LYS 22 1HG LYS 22 -1.611 25.744 -4.219 141 HG3 LYS 22 2HG LYS 22 -0.250 26.867 -4.247 142 HD2 LYS 22 1HD LYS 22 -0.678 27.481 -6.488 143 HD3 LYS 22 2HD LYS 22 -1.778 26.122 -6.730 144 HE2 LYS 22 1HE LYS 22 -3.266 27.853 -6.452 145 HE3 LYS 22 2HE LYS 22 -3.128 27.259 -4.799 146 HZ1 LYS 22 1HZ LYS 22 -2.966 29.735 -5.109 147 HZ2 LYS 22 2HZ LYS 22 -1.461 29.476 -5.836 148 HZ3 LYS 22 3HZ LYS 22 -1.711 29.026 -4.224 149 H ALA 23 H ALA 23 0.441 21.748 -4.154 150 HA ALA 23 HA ALA 23 -0.838 22.281 -1.617 151 HB1 ALA 23 1HB ALA 23 -2.293 20.744 -3.288 152 HB2 ALA 23 2HB ALA 23 -1.324 19.509 -2.483 153 HB3 ALA 23 3HB ALA 23 -2.332 20.599 -1.530 154 H ASN 24 H ASN 24 0.530 21.786 -0.028 155 HA ASN 24 HA ASN 24 2.182 19.460 -0.051 156 HB2 ASN 24 1HB ASN 24 3.330 21.282 -1.562 157 HB3 ASN 24 2HB ASN 24 3.789 21.987 -0.014 158 HD21 ASN 24 1HD2 ASN 24 3.572 18.677 -1.280 159 HD22 ASN 24 2HD2 ASN 24 5.181 18.225 -0.841 160 H SER 25 H SER 25 1.915 18.858 1.990 161 HA SER 25 HA SER 25 2.931 20.351 4.157 162 HB2 SER 25 1HB SER 25 0.013 20.580 3.593 163 HB3 SER 25 2HB SER 25 0.507 20.398 5.277 164 HG SER 25 HG SER 25 1.910 22.252 3.755 165 H PHE 26 H PHE 26 2.389 19.290 6.290 166 HA PHE 26 HA PHE 26 3.006 16.616 6.267 167 HB2 PHE 26 1HB PHE 26 3.010 18.230 8.243 168 HB3 PHE 26 2HB PHE 26 1.299 17.859 8.420 169 HD1 PHE 26 2HD PHE 26 4.334 15.796 7.739 170 HD2 PHE 26 1HD PHE 26 0.938 16.481 10.212 171 HE1 PHE 26 2HE PHE 26 4.908 13.808 9.072 172 HE2 PHE 26 1HE PHE 26 1.507 14.496 11.549 173 HZ PHE 26 HZ PHE 26 3.493 13.156 10.979 174 H THR 27 H THR 27 1.952 14.932 5.471 175 HA THR 27 HA THR 27 -0.971 14.809 5.801 176 HB THR 27 HB THR 27 0.594 14.043 3.331 177 HG1 THR 27 1HG THR 27 -1.561 15.881 3.633 178 HG21 THR 27 1HG2 THR 27 -2.383 13.793 3.709 179 HG22 THR 27 2HG2 THR 27 -1.275 12.452 4.006 180 HG23 THR 27 3HG2 THR 27 -1.390 13.161 2.396 181 H VAL 28 H VAL 28 -1.624 13.040 6.828 182 HA VAL 28 HA VAL 28 0.114 10.659 6.773 183 HB VAL 28 HB VAL 28 -1.610 11.515 9.098 184 HG11 VAL 28 1HG1 VAL 28 0.613 9.511 9.172 185 HG12 VAL 28 2HG1 VAL 28 -0.751 9.704 10.274 186 HG13 VAL 28 3HG1 VAL 28 -1.006 9.041 8.660 187 HG21 VAL 28 1HG2 VAL 28 0.994 11.641 9.948 188 HG22 VAL 28 2HG2 VAL 28 1.089 12.303 8.315 189 HG23 VAL 28 3HG2 VAL 28 -0.005 13.022 9.497 190 H SER 29 H SER 29 -0.850 9.127 5.619 191 HA SER 29 HA SER 29 -3.738 8.695 6.005 192 HB2 SER 29 1HB SER 29 -2.143 8.655 3.445 193 HB3 SER 29 2HB SER 29 -3.707 7.852 3.585 194 HG SER 29 HG SER 29 -4.317 10.090 4.474 195 H SER 30 H SER 30 -4.436 6.464 5.458 196 HA SER 30 HA SER 30 -2.339 4.525 6.187 197 HB2 SER 30 1HB SER 30 -4.450 3.163 6.944 198 HB3 SER 30 2HB SER 30 -3.809 4.434 7.983 199 HG SER 30 HG SER 30 -5.807 4.992 6.075 200 H VAL 31 H VAL 31 -2.491 2.399 5.272 201 HA VAL 31 HA VAL 31 -3.986 2.315 2.732 202 HB VAL 31 HB VAL 31 -1.227 1.204 3.267 203 HG11 VAL 31 1HG1 VAL 31 -2.740 -0.167 1.769 204 HG12 VAL 31 2HG1 VAL 31 -2.708 1.196 0.649 205 HG13 VAL 31 3HG1 VAL 31 -1.213 0.358 1.062 206 HG21 VAL 31 1HG2 VAL 31 -0.484 2.826 1.602 207 HG22 VAL 31 2HG2 VAL 31 -2.132 3.430 1.440 208 HG23 VAL 31 3HG2 VAL 31 -1.265 3.633 2.962 209 H ALA 32 H ALA 32 -5.504 0.805 2.796 210 HA ALA 32 HA ALA 32 -5.765 -1.161 4.756 211 HB1 ALA 32 1HB ALA 32 -6.951 -1.068 1.985 212 HB2 ALA 32 2HB ALA 32 -7.472 -2.154 3.273 213 HB3 ALA 32 3HB ALA 32 -7.659 -0.410 3.460 214 H ALA 33 H ALA 33 -4.122 -2.564 5.086 215 HA ALA 33 HA ALA 33 -3.547 -4.455 2.924 216 HB1 ALA 33 1HB ALA 33 -1.110 -4.404 3.672 217 HB2 ALA 33 2HB ALA 33 -1.685 -3.046 2.705 218 HB3 ALA 33 3HB ALA 33 -1.503 -2.872 4.450 219 HA PRO 34 HA PRO 34 -4.137 -7.421 6.127 220 HB2 PRO 34 1HB PRO 34 -2.881 -9.537 4.980 221 HB3 PRO 34 2HB PRO 34 -4.459 -8.949 4.442 222 HG2 PRO 34 1HG PRO 34 -1.748 -8.436 3.280 223 HG3 PRO 34 2HG PRO 34 -3.271 -8.806 2.448 224 HD2 PRO 34 1HD PRO 34 -2.293 -6.289 2.646 225 HD3 PRO 34 2HD PRO 34 -4.034 -6.636 2.612 226 H SER 35 H SER 35 -2.849 -9.032 7.435 227 HA SER 35 HA SER 35 -0.115 -8.021 7.877 228 HB2 SER 35 1HB SER 35 -0.388 -8.308 10.229 229 HB3 SER 35 2HB SER 35 -1.833 -7.467 9.667 230 HG SER 35 HG SER 35 -2.617 -9.822 9.471 231 H TRP 36 H TRP 36 -2.044 -10.697 7.130 232 HA TRP 36 HA TRP 36 -0.486 -12.776 8.263 233 HB2 TRP 36 1HB TRP 36 -1.678 -14.237 6.642 234 HB3 TRP 36 2HB TRP 36 -2.765 -13.202 7.564 235 HD1 TRP 36 HD TRP 36 -4.122 -11.350 6.237 236 HE1 TRP 36 1HE TRP 36 -4.557 -10.969 3.730 237 HE3 TRP 36 3HE TRP 36 -0.560 -14.472 4.313 238 HZ2 TRP 36 2HZ TRP 36 -3.526 -11.873 1.261 239 HZ3 TRP 36 3HZ TRP 36 -0.351 -14.657 1.868 240 HH2 TRP 36 HH TRP 36 -1.804 -13.384 0.376 241 H LEU 37 H LEU 37 -0.020 -10.722 5.567 242 HA LEU 37 HA LEU 37 2.052 -12.505 4.481 243 HB2 LEU 37 1HB LEU 37 1.946 -10.893 2.511 244 HB3 LEU 37 2HB LEU 37 0.588 -11.991 2.745 245 HG LEU 37 HG LEU 37 -0.597 -10.058 3.884 246 HD11 LEU 37 1HD1 LEU 37 0.211 -7.809 3.215 247 HD12 LEU 37 2HD1 LEU 37 1.704 -8.556 2.649 248 HD13 LEU 37 3HD1 LEU 37 1.272 -8.634 4.357 249 HD21 LEU 37 1HD2 LEU 37 -0.130 -10.592 1.081 250 HD22 LEU 37 2HD2 LEU 37 -0.533 -8.898 1.360 251 HD23 LEU 37 3HD2 LEU 37 -1.626 -10.167 1.914 252 H HIS 38 H HIS 38 2.185 -10.642 6.842 253 HA HIS 38 HA HIS 38 3.725 -8.383 6.243 254 HB2 HIS 38 1HB HIS 38 3.243 -10.034 8.670 255 HB3 HIS 38 2HB HIS 38 4.629 -8.947 8.695 256 HD2 HIS 38 2HD HIS 38 2.238 -6.990 6.735 257 HE1 HIS 38 1HE HIS 38 1.138 -6.192 10.754 258 HE2 HIS 38 2HE HIS 38 0.832 -5.531 8.343 259 H ARG 39 H ARG 39 4.696 -11.706 6.996 260 HA ARG 39 HA ARG 39 7.466 -11.285 7.043 261 HB2 ARG 39 1HB ARG 39 7.694 -13.656 6.839 262 HB3 ARG 39 2HB ARG 39 6.266 -13.347 7.818 263 HG2 ARG 39 1HG ARG 39 4.822 -14.084 6.195 264 HG3 ARG 39 2HG ARG 39 5.949 -13.733 4.883 265 HD2 ARG 39 1HD ARG 39 6.091 -16.017 4.941 266 HD3 ARG 39 2HD ARG 39 7.385 -15.594 6.062 267 HE ARG 39 HE ARG 39 6.208 -16.643 7.703 268 HH11 ARG 39 1HH1 ARG 39 3.997 -15.743 5.170 269 HH12 ARG 39 2HH1 ARG 39 2.633 -16.516 5.907 270 HH21 ARG 39 1HH2 ARG 39 4.421 -17.666 8.683 271 HH22 ARG 39 2HH2 ARG 39 2.874 -17.609 7.906 272 H PHE 40 H PHE 40 5.275 -11.155 4.459 273 HA PHE 40 HA PHE 40 7.382 -11.629 2.472 274 HB2 PHE 40 1HB PHE 40 4.376 -11.524 2.262 275 HB3 PHE 40 2HB PHE 40 5.419 -11.510 0.844 276 HD1 PHE 40 2HD PHE 40 7.340 -13.431 1.024 277 HD2 PHE 40 1HD PHE 40 3.471 -13.551 2.794 278 HE1 PHE 40 2HE PHE 40 7.444 -15.888 1.074 279 HE2 PHE 40 1HE PHE 40 3.569 -16.009 2.848 280 HZ PHE 40 HZ PHE 40 5.556 -17.181 1.987 281 H ILE 41 H ILE 41 5.094 -9.219 3.621 282 HA ILE 41 HA ILE 41 5.655 -7.280 1.620 283 HB ILE 41 HB ILE 41 3.649 -7.421 3.281 284 HG12 ILE 41 1HG1 ILE 41 4.787 -4.668 2.861 285 HG13 ILE 41 2HG1 ILE 41 4.246 -5.644 1.499 286 HG21 ILE 41 1HG2 ILE 41 3.830 -6.135 5.274 287 HG22 ILE 41 2HG2 ILE 41 5.162 -7.290 5.277 288 HG23 ILE 41 3HG2 ILE 41 5.459 -5.603 4.857 289 HD11 ILE 41 1HD1 ILE 41 2.126 -5.797 3.224 290 HD12 ILE 41 2HD1 ILE 41 2.707 -4.148 3.458 291 HD13 ILE 41 3HD1 ILE 41 2.262 -4.706 1.845 292 H ILE 42 H ILE 42 6.979 -7.962 4.810 293 HA ILE 42 HA ILE 42 8.635 -5.611 4.853 294 HB ILE 42 HB ILE 42 8.736 -8.083 6.587 295 HG12 ILE 42 1HG1 ILE 42 7.594 -5.363 7.240 296 HG13 ILE 42 2HG1 ILE 42 6.616 -6.703 6.648 297 HG21 ILE 42 1HG2 ILE 42 9.908 -5.399 7.240 298 HG22 ILE 42 2HG2 ILE 42 10.210 -6.953 8.015 299 HG23 ILE 42 3HG2 ILE 42 10.835 -6.639 6.395 300 HD11 ILE 42 1HD1 ILE 42 6.337 -7.281 8.766 301 HD12 ILE 42 2HD1 ILE 42 8.032 -7.771 8.777 302 HD13 ILE 42 3HD1 ILE 42 7.577 -6.152 9.309 303 H GLY 43 H GLY 43 9.211 -9.098 4.416 304 HA2 GLY 43 1HA GLY 43 10.754 -9.779 2.649 305 HA3 GLY 43 2HA GLY 43 11.743 -8.389 3.071 306 H LYS 44 H LYS 44 12.316 -11.325 2.957 307 HA LYS 44 HA LYS 44 12.579 -12.554 5.388 308 HB2 LYS 44 1HB LYS 44 14.172 -12.596 2.877 309 HB3 LYS 44 2HB LYS 44 14.894 -13.333 4.300 310 HG2 LYS 44 1HG LYS 44 13.831 -15.145 3.447 311 HG3 LYS 44 2HG LYS 44 12.526 -14.503 4.447 312 HD2 LYS 44 1HD LYS 44 11.414 -14.829 2.467 313 HD3 LYS 44 2HD LYS 44 11.949 -13.159 2.262 314 HE2 LYS 44 1HE LYS 44 12.582 -14.070 0.251 315 HE3 LYS 44 2HE LYS 44 14.057 -14.284 1.193 316 HZ1 LYS 44 1HZ LYS 44 12.811 -16.554 1.747 317 HZ2 LYS 44 2HZ LYS 44 13.856 -16.380 0.429 318 HZ3 LYS 44 3HZ LYS 44 12.183 -16.275 0.201 319 H LYS 45 H LYS 45 14.909 -10.292 3.927 320 HA LYS 45 HA LYS 45 15.991 -9.818 6.627 321 HB2 LYS 45 1HB LYS 45 18.175 -9.387 5.599 322 HB3 LYS 45 2HB LYS 45 17.617 -11.018 5.253 323 HG2 LYS 45 1HG LYS 45 16.698 -9.903 3.065 324 HG3 LYS 45 2HG LYS 45 17.927 -8.689 3.427 325 HD2 LYS 45 1HD LYS 45 19.587 -10.567 3.599 326 HD3 LYS 45 2HD LYS 45 18.331 -11.644 2.982 327 HE2 LYS 45 1HE LYS 45 18.176 -10.318 0.947 328 HE3 LYS 45 2HE LYS 45 19.382 -9.193 1.569 329 HZ1 LYS 45 1HZ LYS 45 19.990 -11.211 -0.019 330 HZ2 LYS 45 2HZ LYS 45 20.144 -12.002 1.468 331 HZ3 LYS 45 3HZ LYS 45 21.063 -10.619 1.147 332 H GLY 46 H GLY 46 13.851 -8.346 5.771 333 HA2 GLY 46 1HA GLY 46 13.119 -6.209 5.317 334 HA3 GLY 46 2HA GLY 46 14.561 -5.741 6.205 335 H GLN 47 H GLN 47 13.293 -6.467 2.997 336 HA GLN 47 HA GLN 47 15.473 -4.841 1.864 337 HB2 GLN 47 1HB GLN 47 14.056 -7.208 0.628 338 HB3 GLN 47 2HB GLN 47 15.196 -6.174 -0.224 339 HG2 GLN 47 1HG GLN 47 17.001 -6.897 1.102 340 HG3 GLN 47 2HG GLN 47 15.930 -7.653 2.281 341 HE21 GLN 47 1HE2 GLN 47 17.554 -7.984 -0.730 342 HE22 GLN 47 2HE2 GLN 47 17.130 -9.632 -1.028 343 H ASN 48 H ASN 48 12.102 -5.871 1.428 344 HA ASN 48 HA ASN 48 11.399 -4.097 -0.601 345 HB2 ASN 48 1HB ASN 48 9.849 -5.481 1.564 346 HB3 ASN 48 2HB ASN 48 9.047 -4.309 0.523 347 HD21 ASN 48 1HD2 ASN 48 9.945 -7.499 0.888 348 HD22 ASN 48 2HD2 ASN 48 9.678 -8.037 -0.732 349 H LEU 49 H LEU 49 11.069 -3.700 2.922 350 HA LEU 49 HA LEU 49 10.055 -1.065 2.803 351 HB2 LEU 49 1HB LEU 49 11.312 -2.734 4.943 352 HB3 LEU 49 2HB LEU 49 10.976 -1.028 5.232 353 HG LEU 49 HG LEU 49 8.819 -2.908 4.324 354 HD11 LEU 49 1HD1 LEU 49 9.104 -2.290 7.206 355 HD12 LEU 49 2HD1 LEU 49 10.167 -3.524 6.530 356 HD13 LEU 49 3HD1 LEU 49 8.417 -3.705 6.410 357 HD21 LEU 49 1HD2 LEU 49 8.840 -0.221 4.555 358 HD22 LEU 49 2HD2 LEU 49 8.324 -0.674 6.179 359 HD23 LEU 49 3HD2 LEU 49 7.400 -1.217 4.777 360 H ALA 50 H ALA 50 13.310 -2.241 3.670 361 HA ALA 50 HA ALA 50 14.629 0.118 4.015 362 HB1 ALA 50 1HB ALA 50 16.512 -1.324 2.661 363 HB2 ALA 50 2HB ALA 50 16.138 -1.495 4.376 364 HB3 ALA 50 3HB ALA 50 15.399 -2.581 3.199 365 H LYS 51 H LYS 51 14.149 -1.544 0.902 366 HA LYS 51 HA LYS 51 15.457 0.299 -0.725 367 HB2 LYS 51 1HB LYS 51 13.292 -1.712 -1.168 368 HB3 LYS 51 2HB LYS 51 13.653 -0.566 -2.451 369 HG2 LYS 51 1HG LYS 51 16.113 -1.341 -2.063 370 HG3 LYS 51 2HG LYS 51 15.341 -2.750 -1.331 371 HD2 LYS 51 1HD LYS 51 15.587 -3.400 -3.544 372 HD3 LYS 51 2HD LYS 51 13.929 -2.794 -3.507 373 HE2 LYS 51 1HE LYS 51 14.951 -1.899 -5.455 374 HE3 LYS 51 2HE LYS 51 14.833 -0.583 -4.288 375 HZ1 LYS 51 1HZ LYS 51 16.977 -0.311 -4.883 376 HZ2 LYS 51 2HZ LYS 51 17.190 -1.925 -5.340 377 HZ3 LYS 51 3HZ LYS 51 17.243 -1.495 -3.704 378 H ILE 52 H ILE 52 11.936 0.054 -0.188 379 HA ILE 52 HA ILE 52 11.174 2.356 -1.509 380 HB ILE 52 HB ILE 52 9.922 1.224 0.996 381 HG12 ILE 52 1HG1 ILE 52 9.032 0.739 -1.838 382 HG13 ILE 52 2HG1 ILE 52 10.240 -0.286 -1.072 383 HG21 ILE 52 1HG2 ILE 52 8.374 2.809 0.859 384 HG22 ILE 52 2HG2 ILE 52 9.352 3.595 -0.378 385 HG23 ILE 52 3HG2 ILE 52 8.093 2.452 -0.845 386 HD11 ILE 52 1HD1 ILE 52 8.235 -0.226 0.791 387 HD12 ILE 52 2HD1 ILE 52 7.355 -0.224 -0.739 388 HD13 ILE 52 3HD1 ILE 52 8.514 -1.507 -0.389 389 H THR 53 H THR 53 11.661 2.062 2.017 390 HA THR 53 HA THR 53 11.408 4.737 2.669 391 HB THR 53 HB THR 53 12.876 4.224 4.646 392 HG1 THR 53 1HG THR 53 13.269 1.815 4.767 393 HG21 THR 53 1HG2 THR 53 11.199 3.087 5.731 394 HG22 THR 53 2HG2 THR 53 10.941 1.971 4.390 395 HG23 THR 53 3HG2 THR 53 10.331 3.621 4.292 396 H GLN 54 H GLN 54 14.272 2.979 1.570 397 HA GLN 54 HA GLN 54 16.209 4.918 1.989 398 HB2 GLN 54 1HB GLN 54 16.741 2.643 1.276 399 HB3 GLN 54 2HB GLN 54 15.998 2.942 -0.290 400 HG2 GLN 54 1HG GLN 54 17.689 4.562 -0.838 401 HG3 GLN 54 2HG GLN 54 18.391 4.423 0.773 402 HE21 GLN 54 1HE2 GLN 54 20.389 3.784 0.030 403 HE22 GLN 54 2HE2 GLN 54 20.673 2.233 -0.675 404 H GLN 55 H GLN 55 14.130 4.445 -0.854 405 HA GLN 55 HA GLN 55 15.164 6.749 -2.208 406 HB2 GLN 55 1HB GLN 55 14.319 4.962 -3.555 407 HB3 GLN 55 2HB GLN 55 12.775 4.978 -2.715 408 HG2 GLN 55 1HG GLN 55 12.197 6.082 -4.612 409 HG3 GLN 55 2HG GLN 55 12.692 7.447 -3.613 410 HE21 GLN 55 1HE2 GLN 55 13.204 5.739 -6.487 411 HE22 GLN 55 2HE2 GLN 55 14.591 6.606 -7.043 412 H MET 56 H MET 56 12.481 6.083 -0.073 413 HA MET 56 HA MET 56 11.794 8.943 -0.141 414 HB2 MET 56 1HB MET 56 9.934 6.572 -0.078 415 HB3 MET 56 2HB MET 56 9.421 8.182 0.410 416 HG2 MET 56 1HG MET 56 9.663 9.043 -1.745 417 HG3 MET 56 2HG MET 56 10.659 7.688 -2.270 418 HE1 MET 56 1HE MET 56 9.507 5.315 -3.284 419 HE2 MET 56 2HE MET 56 9.544 5.236 -1.523 420 HE3 MET 56 3HE MET 56 8.082 4.776 -2.396 421 HA PRO 57 HA PRO 57 12.951 7.721 4.158 422 HB2 PRO 57 1HB PRO 57 14.284 10.026 4.686 423 HB3 PRO 57 2HB PRO 57 15.039 8.641 3.889 424 HG2 PRO 57 1HG PRO 57 13.923 11.145 2.684 425 HG3 PRO 57 2HG PRO 57 15.428 10.288 2.294 426 HD2 PRO 57 1HD PRO 57 13.185 10.051 0.794 427 HD3 PRO 57 2HD PRO 57 14.345 8.723 0.992 428 H LYS 58 H LYS 58 11.689 10.760 2.862 429 HA LYS 58 HA LYS 58 10.748 11.915 5.207 430 HB2 LYS 58 1HB LYS 58 9.725 12.043 2.373 431 HB3 LYS 58 2HB LYS 58 9.015 12.991 3.673 432 HG2 LYS 58 1HG LYS 58 11.207 14.038 4.074 433 HG3 LYS 58 2HG LYS 58 11.865 13.130 2.710 434 HD2 LYS 58 1HD LYS 58 9.429 14.800 2.296 435 HD3 LYS 58 2HD LYS 58 11.003 15.594 2.402 436 HE2 LYS 58 1HE LYS 58 10.752 13.226 0.624 437 HE3 LYS 58 2HE LYS 58 10.000 14.732 0.099 438 HZ1 LYS 58 1HZ LYS 58 12.067 15.021 -0.752 439 HZ2 LYS 58 2HZ LYS 58 12.829 14.084 0.432 440 HZ3 LYS 58 3HZ LYS 58 12.351 15.668 0.785 441 H VAL 59 H VAL 59 9.278 9.462 3.144 442 HA VAL 59 HA VAL 59 6.798 9.420 4.586 443 HB VAL 59 HB VAL 59 7.921 7.384 2.656 444 HG11 VAL 59 1HG1 VAL 59 6.106 6.155 3.016 445 HG12 VAL 59 2HG1 VAL 59 5.706 7.221 4.365 446 HG13 VAL 59 3HG1 VAL 59 5.055 7.547 2.758 447 HG21 VAL 59 1HG2 VAL 59 7.623 9.728 1.777 448 HG22 VAL 59 2HG2 VAL 59 6.704 8.480 0.935 449 HG23 VAL 59 3HG2 VAL 59 5.898 9.542 2.090 450 H HIS 60 H HIS 60 6.307 8.311 6.366 451 HA HIS 60 HA HIS 60 8.278 6.378 7.379 452 HB2 HIS 60 1HB HIS 60 7.552 8.516 8.694 453 HB3 HIS 60 2HB HIS 60 6.113 7.576 9.073 454 HD1 HIS 60 1HD HIS 60 9.596 6.135 8.911 455 HD2 HIS 60 2HD HIS 60 6.689 7.096 11.719 456 HE1 HIS 60 1HE HIS 60 10.417 5.172 11.085 457 H ILE 61 H ILE 61 7.729 4.348 6.935 458 HA ILE 61 HA ILE 61 4.929 3.594 6.698 459 HB ILE 61 HB ILE 61 7.402 1.908 6.292 460 HG12 ILE 61 1HG1 ILE 61 5.625 3.135 4.180 461 HG13 ILE 61 2HG1 ILE 61 7.109 3.896 4.742 462 HG21 ILE 61 1HG2 ILE 61 4.862 1.198 4.988 463 HG22 ILE 61 2HG2 ILE 61 6.082 0.170 5.738 464 HG23 ILE 61 3HG2 ILE 61 4.897 1.006 6.741 465 HD11 ILE 61 1HD1 ILE 61 8.349 1.875 4.033 466 HD12 ILE 61 2HD1 ILE 61 6.848 1.240 3.358 467 HD13 ILE 61 3HD1 ILE 61 7.550 2.721 2.707 468 H GLU 62 H GLU 62 3.807 2.486 8.178 469 HA GLU 62 HA GLU 62 5.278 1.306 10.440 470 HB2 GLU 62 1HB GLU 62 4.257 3.342 11.228 471 HB3 GLU 62 2HB GLU 62 2.714 2.899 10.512 472 HG2 GLU 62 1HG GLU 62 2.500 1.048 12.067 473 HG3 GLU 62 2HG GLU 62 4.070 1.437 12.766 474 H PHE 63 H PHE 63 4.421 -0.576 11.346 475 HA PHE 63 HA PHE 63 2.267 -1.852 9.792 476 HB2 PHE 63 1HB PHE 63 4.954 -2.875 10.577 477 HB3 PHE 63 2HB PHE 63 3.611 -4.013 10.575 478 HD1 PHE 63 2HD PHE 63 2.070 -3.725 8.362 479 HD2 PHE 63 1HD PHE 63 6.217 -2.822 8.676 480 HE1 PHE 63 2HE PHE 63 2.313 -4.008 5.929 481 HE2 PHE 63 1HE PHE 63 6.467 -3.103 6.245 482 HZ PHE 63 HZ PHE 63 4.513 -3.697 4.868 483 H THR 64 H THR 64 0.563 -2.409 10.963 484 HA THR 64 HA THR 64 0.787 -2.437 13.877 485 HB THR 64 HB THR 64 -1.761 -2.596 13.740 486 HG1 THR 64 1HG THR 64 -2.464 -2.948 11.776 487 HG21 THR 64 1HG2 THR 64 -2.012 -0.218 13.353 488 HG22 THR 64 2HG2 THR 64 -0.463 -0.163 12.512 489 HG23 THR 64 3HG2 THR 64 -0.518 -0.515 14.239 490 H GLU 65 H GLU 65 0.197 -4.171 15.153 491 HA GLU 65 HA GLU 65 0.176 -6.756 13.781 492 HB2 GLU 65 1HB GLU 65 0.672 -7.695 16.018 493 HB3 GLU 65 2HB GLU 65 1.862 -6.512 15.498 494 HG2 GLU 65 1HG GLU 65 -0.410 -5.584 17.170 495 HG3 GLU 65 2HG GLU 65 0.882 -6.507 17.936 496 H GLY 66 H GLY 66 -2.129 -4.734 14.394 497 HA2 GLY 66 1HA GLY 66 -4.071 -6.826 14.974 498 HA3 GLY 66 2HA GLY 66 -4.012 -5.494 16.118 499 H GLU 67 H GLU 67 -3.460 -3.431 14.224 500 HA GLU 67 HA GLU 67 -6.122 -2.870 13.382 501 HB2 GLU 67 1HB GLU 67 -3.543 -1.435 12.727 502 HB3 GLU 67 2HB GLU 67 -5.159 -0.807 12.439 503 HG2 GLU 67 1HG GLU 67 -4.045 -1.501 15.147 504 HG3 GLU 67 2HG GLU 67 -4.088 0.120 14.456 505 H ASP 68 H ASP 68 -3.562 -4.576 11.971 506 HA ASP 68 HA ASP 68 -3.117 -5.338 9.862 507 HB2 ASP 68 1HB ASP 68 -5.251 -6.018 8.608 508 HB3 ASP 68 2HB ASP 68 -4.976 -6.744 10.189 509 H LYS 69 H LYS 69 -2.629 -2.739 9.826 510 HA LYS 69 HA LYS 69 -3.304 -1.987 7.125 511 HB2 LYS 69 1HB LYS 69 -4.175 0.243 7.739 512 HB3 LYS 69 2HB LYS 69 -5.223 -1.061 8.281 513 HG2 LYS 69 1HG LYS 69 -4.810 -0.669 10.484 514 HG3 LYS 69 2HG LYS 69 -3.189 -0.040 10.183 515 HD2 LYS 69 1HD LYS 69 -4.441 1.920 9.029 516 HD3 LYS 69 2HD LYS 69 -5.835 1.345 9.947 517 HE2 LYS 69 1HE LYS 69 -3.236 1.783 11.347 518 HE3 LYS 69 2HE LYS 69 -4.238 3.174 10.937 519 HZ1 LYS 69 1HZ LYS 69 -4.750 1.010 12.840 520 HZ2 LYS 69 2HZ LYS 69 -6.078 1.694 12.045 521 HZ3 LYS 69 3HZ LYS 69 -5.060 2.667 12.982 522 H ILE 70 H ILE 70 -2.086 -0.081 6.403 523 HA ILE 70 HA ILE 70 0.411 0.210 7.938 524 HB ILE 70 HB ILE 70 -0.013 0.563 4.968 525 HG12 ILE 70 1HG1 ILE 70 1.595 -1.584 6.345 526 HG13 ILE 70 2HG1 ILE 70 -0.104 -1.802 5.945 527 HG21 ILE 70 1HG2 ILE 70 2.718 0.255 5.822 528 HG22 ILE 70 2HG2 ILE 70 1.980 1.537 4.863 529 HG23 ILE 70 3HG2 ILE 70 1.963 1.633 6.624 530 HD11 ILE 70 1HD1 ILE 70 0.367 -1.545 3.605 531 HD12 ILE 70 2HD1 ILE 70 2.053 -1.161 3.951 532 HD13 ILE 70 3HD1 ILE 70 1.430 -2.777 4.285 533 H THR 71 H THR 71 0.799 2.128 8.808 534 HA THR 71 HA THR 71 -0.752 4.442 7.897 535 HB THR 71 HB THR 71 0.947 4.248 10.386 536 HG1 THR 71 1HG THR 71 -1.159 3.911 11.405 537 HG21 THR 71 1HG2 THR 71 -0.489 6.115 11.140 538 HG22 THR 71 2HG2 THR 71 -1.265 6.131 9.556 539 HG23 THR 71 3HG2 THR 71 0.448 6.523 9.704 540 H LEU 72 H LEU 72 0.167 5.933 6.659 541 HA LEU 72 HA LEU 72 3.102 6.054 6.544 542 HB2 LEU 72 1HB LEU 72 0.994 6.887 4.563 543 HB3 LEU 72 2HB LEU 72 2.710 7.244 4.373 544 HG LEU 72 HG LEU 72 1.925 5.312 3.029 545 HD11 LEU 72 1HD1 LEU 72 4.149 5.048 3.224 546 HD12 LEU 72 2HD1 LEU 72 3.702 3.703 4.272 547 HD13 LEU 72 3HD1 LEU 72 4.130 5.263 4.974 548 HD21 LEU 72 1HD2 LEU 72 1.813 3.642 5.483 549 HD22 LEU 72 2HD2 LEU 72 1.024 3.417 3.923 550 HD23 LEU 72 3HD2 LEU 72 0.396 4.604 5.066 551 H GLU 73 H GLU 73 4.153 8.090 6.493 552 HA GLU 73 HA GLU 73 2.548 10.404 7.304 553 HB2 GLU 73 1HB GLU 73 3.316 9.522 9.397 554 HB3 GLU 73 2HB GLU 73 4.948 9.321 8.778 555 HG2 GLU 73 1HG GLU 73 5.204 11.734 8.620 556 HG3 GLU 73 2HG GLU 73 3.554 11.955 9.200 557 H GLY 74 H GLY 74 3.019 12.091 6.065 558 HA2 GLY 74 1HA GLY 74 5.401 13.281 5.579 559 HA3 GLY 74 2HA GLY 74 5.339 12.031 4.345 560 HA PRO 75 HA PRO 75 3.264 15.904 2.768 561 HB2 PRO 75 1HB PRO 75 4.724 16.069 0.484 562 HB3 PRO 75 2HB PRO 75 5.237 16.804 2.008 563 HG2 PRO 75 1HG PRO 75 6.094 14.217 0.771 564 HG3 PRO 75 2HG PRO 75 7.080 15.457 1.567 565 HD2 PRO 75 1HD PRO 75 6.323 13.175 2.813 566 HD3 PRO 75 2HD PRO 75 6.538 14.710 3.679 567 H THR 76 H THR 76 1.490 15.746 1.534 568 HA THR 76 HA THR 76 0.384 13.462 0.598 569 HB THR 76 HB THR 76 -1.021 15.339 0.589 570 HG1 THR 76 1HG THR 76 -1.107 13.870 -1.360 571 HG21 THR 76 1HG2 THR 76 0.588 17.111 0.420 572 HG22 THR 76 2HG2 THR 76 -0.592 17.325 -0.873 573 HG23 THR 76 3HG2 THR 76 0.997 16.649 -1.231 574 H GLU 77 H GLU 77 2.748 15.454 -1.070 575 HA GLU 77 HA GLU 77 2.554 14.316 -3.622 576 HB2 GLU 77 1HB GLU 77 4.514 15.441 -4.134 577 HB3 GLU 77 2HB GLU 77 3.896 16.383 -2.784 578 HG2 GLU 77 1HG GLU 77 5.401 15.193 -1.268 579 HG3 GLU 77 2HG GLU 77 6.027 14.263 -2.628 580 H ASP 78 H ASP 78 4.512 13.396 -0.819 581 HA ASP 78 HA ASP 78 5.671 11.144 -2.217 582 HB2 ASP 78 1HB ASP 78 5.912 12.214 0.588 583 HB3 ASP 78 2HB ASP 78 6.608 10.661 0.130 584 H VAL 79 H VAL 79 3.416 11.635 0.484 585 HA VAL 79 HA VAL 79 2.894 9.067 1.245 586 HB VAL 79 HB VAL 79 0.860 11.274 0.904 587 HG11 VAL 79 1HG1 VAL 79 0.502 8.543 1.606 588 HG12 VAL 79 2HG1 VAL 79 0.227 9.527 3.045 589 HG13 VAL 79 3HG1 VAL 79 -0.694 9.838 1.573 590 HG21 VAL 79 1HG2 VAL 79 1.377 11.987 3.050 591 HG22 VAL 79 2HG2 VAL 79 2.149 10.461 3.481 592 HG23 VAL 79 3HG2 VAL 79 2.962 11.582 2.389 593 H SER 80 H SER 80 1.851 10.672 -1.684 594 HA SER 80 HA SER 80 -0.048 8.677 -2.447 595 HB2 SER 80 1HB SER 80 1.215 11.036 -3.791 596 HB3 SER 80 2HB SER 80 0.356 9.848 -4.770 597 HG SER 80 HG SER 80 -0.857 11.732 -3.833 598 H VAL 81 H VAL 81 3.372 9.184 -2.953 599 HA VAL 81 HA VAL 81 3.600 7.140 -4.976 600 HB VAL 81 HB VAL 81 5.839 8.410 -3.401 601 HG11 VAL 81 1HG1 VAL 81 6.730 6.592 -4.542 602 HG12 VAL 81 2HG1 VAL 81 5.672 6.819 -5.935 603 HG13 VAL 81 3HG1 VAL 81 7.011 7.933 -5.651 604 HG21 VAL 81 1HG2 VAL 81 5.581 10.326 -4.500 605 HG22 VAL 81 2HG2 VAL 81 5.465 9.490 -6.049 606 HG23 VAL 81 3HG2 VAL 81 4.021 9.725 -5.063 607 H ALA 82 H ALA 82 4.536 7.476 -1.563 608 HA ALA 82 HA ALA 82 5.655 4.907 -1.283 609 HB1 ALA 82 1HB ALA 82 6.230 5.781 0.670 610 HB2 ALA 82 2HB ALA 82 5.161 7.154 0.382 611 HB3 ALA 82 3HB ALA 82 4.549 5.716 1.199 612 H GLN 83 H GLN 83 2.380 6.132 -0.705 613 HA GLN 83 HA GLN 83 1.366 3.657 0.278 614 HB2 GLN 83 1HB GLN 83 -0.674 4.727 0.465 615 HB3 GLN 83 2HB GLN 83 0.438 6.087 0.543 616 HG2 GLN 83 1HG GLN 83 0.013 6.655 -1.736 617 HG3 GLN 83 2HG GLN 83 -0.928 5.184 -1.978 618 HE21 GLN 83 1HE2 GLN 83 -3.037 5.140 -1.404 619 HE22 GLN 83 2HE2 GLN 83 -3.896 6.498 -0.768 620 H GLU 84 H GLU 84 1.462 5.211 -2.883 621 HA GLU 84 HA GLU 84 -0.231 3.358 -4.201 622 HB2 GLU 84 1HB GLU 84 0.099 5.470 -5.240 623 HB3 GLU 84 2HB GLU 84 1.849 5.299 -5.195 624 HG2 GLU 84 1HG GLU 84 1.500 3.289 -6.742 625 HG3 GLU 84 2HG GLU 84 -0.122 3.935 -6.987 626 H GLN 85 H GLN 85 3.212 3.453 -3.544 627 HA GLN 85 HA GLN 85 3.966 1.368 -5.306 628 HB2 GLN 85 1HB GLN 85 5.216 2.768 -2.995 629 HB3 GLN 85 2HB GLN 85 5.902 1.223 -3.480 630 HG2 GLN 85 1HG GLN 85 5.844 2.317 -5.866 631 HG3 GLN 85 2HG GLN 85 5.840 3.812 -4.933 632 HE21 GLN 85 1HE2 GLN 85 7.885 4.348 -5.740 633 HE22 GLN 85 2HE2 GLN 85 9.319 3.576 -5.161 634 H ILE 86 H ILE 86 3.205 1.407 -1.835 635 HA ILE 86 HA ILE 86 3.604 -1.367 -1.433 636 HB ILE 86 HB ILE 86 1.861 0.511 0.166 637 HG12 ILE 86 1HG1 ILE 86 4.729 -0.283 0.689 638 HG13 ILE 86 2HG1 ILE 86 4.269 1.211 -0.119 639 HG21 ILE 86 1HG2 ILE 86 1.390 -1.215 1.479 640 HG22 ILE 86 2HG2 ILE 86 2.216 -2.275 0.338 641 HG23 ILE 86 3HG2 ILE 86 3.106 -1.567 1.687 642 HD11 ILE 86 1HD1 ILE 86 3.292 2.083 1.814 643 HD12 ILE 86 2HD1 ILE 86 3.241 0.507 2.605 644 HD13 ILE 86 3HD1 ILE 86 4.785 1.324 2.363 645 H GLU 87 H GLU 87 0.858 0.545 -2.466 646 HA GLU 87 HA GLU 87 -1.178 -1.338 -2.070 647 HB2 GLU 87 1HB GLU 87 -0.851 0.942 -4.005 648 HB3 GLU 87 2HB GLU 87 -2.283 -0.077 -4.025 649 HG2 GLU 87 1HG GLU 87 -1.449 1.116 -1.439 650 HG3 GLU 87 2HG GLU 87 -2.189 2.164 -2.647 651 H GLY 88 H GLY 88 1.101 -0.892 -4.722 652 HA2 GLY 88 1HA GLY 88 -0.092 -2.693 -6.540 653 HA3 GLY 88 2HA GLY 88 1.593 -2.193 -6.548 654 H MET 89 H MET 89 2.658 -3.186 -4.320 655 HA MET 89 HA MET 89 2.969 -5.924 -4.894 656 HB2 MET 89 1HB MET 89 4.330 -6.007 -2.857 657 HB3 MET 89 2HB MET 89 4.730 -4.601 -3.835 658 HG2 MET 89 1HG MET 89 3.465 -3.167 -2.368 659 HG3 MET 89 2HG MET 89 2.921 -4.557 -1.432 660 HE1 MET 89 1HE MET 89 5.419 -2.193 -2.480 661 HE2 MET 89 2HE MET 89 6.428 -1.979 -1.049 662 HE3 MET 89 3HE MET 89 6.921 -3.104 -2.316 663 H VAL 90 H VAL 90 1.080 -4.216 -2.450 664 HA VAL 90 HA VAL 90 0.297 -6.398 -0.895 665 HB VAL 90 HB VAL 90 -1.225 -3.862 -1.508 666 HG11 VAL 90 1HG1 VAL 90 -2.912 -4.562 -0.237 667 HG12 VAL 90 2HG1 VAL 90 -2.203 -6.175 -0.312 668 HG13 VAL 90 3HG1 VAL 90 -1.816 -5.102 1.034 669 HG21 VAL 90 1HG2 VAL 90 0.005 -4.274 1.128 670 HG22 VAL 90 2HG2 VAL 90 1.145 -4.106 -0.208 671 HG23 VAL 90 3HG2 VAL 90 -0.038 -2.837 0.106 672 H LYS 91 H LYS 91 -1.383 -4.900 -3.656 673 HA LYS 91 HA LYS 91 -3.526 -6.727 -3.722 674 HB2 LYS 91 1HB LYS 91 -2.393 -4.702 -5.583 675 HB3 LYS 91 2HB LYS 91 -3.470 -5.913 -6.268 676 HG2 LYS 91 1HG LYS 91 -5.191 -5.274 -4.627 677 HG3 LYS 91 2HG LYS 91 -4.112 -4.016 -4.019 678 HD2 LYS 91 1HD LYS 91 -4.063 -3.065 -6.338 679 HD3 LYS 91 2HD LYS 91 -5.321 -4.225 -6.774 680 HE2 LYS 91 1HE LYS 91 -5.570 -2.215 -4.541 681 HE3 LYS 91 2HE LYS 91 -6.164 -1.948 -6.179 682 HZ1 LYS 91 1HZ LYS 91 -7.000 -4.302 -4.601 683 HZ2 LYS 91 2HZ LYS 91 -7.753 -3.617 -5.951 684 HZ3 LYS 91 3HZ LYS 91 -7.801 -2.818 -4.461 685 H ASP 92 H ASP 92 -0.683 -6.520 -5.871 686 HA ASP 92 HA ASP 92 -1.081 -8.808 -7.340 687 HB2 ASP 92 1HB ASP 92 0.715 -7.154 -7.761 688 HB3 ASP 92 2HB ASP 92 1.589 -7.773 -6.362 689 H LEU 93 H LEU 93 0.213 -8.496 -4.091 690 HA LEU 93 HA LEU 93 1.269 -11.058 -3.762 691 HB2 LEU 93 1HB LEU 93 0.221 -8.957 -1.948 692 HB3 LEU 93 2HB LEU 93 0.439 -10.574 -1.283 693 HG LEU 93 HG LEU 93 2.624 -8.972 -2.609 694 HD11 LEU 93 1HD1 LEU 93 3.220 -8.083 -0.625 695 HD12 LEU 93 2HD1 LEU 93 2.674 -9.484 0.294 696 HD13 LEU 93 3HD1 LEU 93 1.505 -8.288 -0.265 697 HD21 LEU 93 1HD2 LEU 93 3.266 -11.190 -2.773 698 HD22 LEU 93 2HD2 LEU 93 2.488 -11.637 -1.256 699 HD23 LEU 93 3HD2 LEU 93 3.982 -10.700 -1.238 700 H ILE 94 H ILE 94 -2.033 -9.871 -3.401 701 HA ILE 94 HA ILE 94 -3.008 -12.446 -2.511 702 HB ILE 94 HB ILE 94 -4.511 -9.935 -3.260 703 HG12 ILE 94 1HG1 ILE 94 -4.004 -11.098 -0.518 704 HG13 ILE 94 2HG1 ILE 94 -2.995 -9.847 -1.236 705 HG21 ILE 94 1HG2 ILE 94 -5.518 -12.481 -3.170 706 HG22 ILE 94 2HG2 ILE 94 -5.845 -11.881 -1.545 707 HG23 ILE 94 3HG2 ILE 94 -6.451 -11.001 -2.948 708 HD11 ILE 94 1HD1 ILE 94 -4.382 -8.495 -0.100 709 HD12 ILE 94 2HD1 ILE 94 -5.406 -8.710 -1.520 710 HD13 ILE 94 3HD1 ILE 94 -5.690 -9.677 -0.073 711 H ASN 95 H ASN 95 -3.214 -10.438 -5.423 712 HA ASN 95 HA ASN 95 -4.957 -12.029 -6.906 713 HB2 ASN 95 1HB ASN 95 -2.649 -10.547 -8.151 714 HB3 ASN 95 2HB ASN 95 -4.264 -10.809 -8.803 715 HD21 ASN 95 1HD2 ASN 95 -3.393 -8.331 -8.917 716 HD22 ASN 95 2HD2 ASN 95 -4.139 -7.328 -7.723 717 H ARG 96 H ARG 96 -1.476 -12.271 -6.436 718 HA ARG 96 HA ARG 96 -0.975 -14.230 -8.400 719 HB2 ARG 96 1HB ARG 96 1.135 -14.592 -7.266 720 HB3 ARG 96 2HB ARG 96 0.786 -12.870 -7.322 721 HG2 ARG 96 1HG ARG 96 0.498 -12.709 -5.070 722 HG3 ARG 96 2HG ARG 96 -0.063 -14.375 -4.912 723 HD2 ARG 96 1HD ARG 96 2.776 -13.486 -5.412 724 HD3 ARG 96 2HD ARG 96 2.129 -14.090 -3.887 725 HE ARG 96 HE ARG 96 1.732 -15.964 -5.984 726 HH11 ARG 96 1HH1 ARG 96 4.154 -14.685 -3.834 727 HH12 ARG 96 2HH1 ARG 96 5.117 -16.125 -3.851 728 HH21 ARG 96 1HH2 ARG 96 2.992 -17.865 -6.016 729 HH22 ARG 96 2HH2 ARG 96 4.454 -17.933 -5.093 730 H SER 97 H SER 97 -2.726 -14.414 -5.546 731 HA SER 97 HA SER 97 -2.280 -17.313 -5.304 732 HB2 SER 97 1HB SER 97 -1.933 -15.863 -3.263 733 HB3 SER 97 2HB SER 97 -3.662 -15.520 -3.300 734 HG SER 97 HG SER 97 -2.752 -17.401 -1.987 735 H GLY 98 H GLY 98 -4.996 -15.063 -4.740 736 HA2 GLY 98 1HA GLY 98 -7.032 -16.924 -5.126 737 HA3 GLY 98 2HA GLY 98 -7.210 -15.188 -5.331 738 HA PRO 99 HA PRO 99 -7.147 -17.694 -9.452 739 HB2 PRO 99 1HB PRO 99 -9.753 -18.414 -9.695 740 HB3 PRO 99 2HB PRO 99 -8.534 -19.456 -8.951 741 HG2 PRO 99 1HG PRO 99 -10.549 -17.668 -7.646 742 HG3 PRO 99 2HG PRO 99 -10.067 -19.317 -7.208 743 HD2 PRO 99 1HD PRO 99 -9.131 -17.133 -5.910 744 HD3 PRO 99 2HD PRO 99 -8.164 -18.607 -6.120 745 H SER 100 H SER 100 -7.855 -16.798 -11.399 746 HA SER 100 HA SER 100 -8.411 -14.090 -11.460 747 HB2 SER 100 1HB SER 100 -9.068 -14.485 -13.863 748 HB3 SER 100 2HB SER 100 -7.504 -15.163 -13.409 749 HG SER 100 HG SER 100 -8.688 -17.179 -13.064 750 H SER 101 H SER 101 -10.590 -16.790 -11.214 751 HA SER 101 HA SER 101 -12.875 -16.948 -11.181 752 HB2 SER 101 1HB SER 101 -12.156 -14.610 -9.460 753 HB3 SER 101 2HB SER 101 -13.861 -14.961 -9.743 754 HG SER 101 HG SER 101 -13.172 -16.067 -7.916 755 H GLY 102 H GLY 102 -12.136 -16.000 -13.615 756 HA2 GLY 102 1HA GLY 102 -13.061 -15.009 -15.471 757 HA3 GLY 102 2HA GLY 102 -14.486 -14.684 -14.494 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 6.464 5.812 23.241 2 HA2 GLY 1 1HA GLY 1 5.789 3.422 21.848 3 HA3 GLY 1 2HA GLY 1 4.523 3.857 22.987 4 H SER 2 H SER 2 3.369 3.916 20.821 5 HA SER 2 HA SER 2 3.571 6.640 19.714 6 HB2 SER 2 1HB SER 2 4.228 4.550 18.235 7 HB3 SER 2 2HB SER 2 2.480 4.404 18.052 8 HG SER 2 HG SER 2 4.218 6.337 17.084 9 H SER 3 H SER 3 1.471 7.268 18.563 10 HA SER 3 HA SER 3 -0.811 6.380 20.206 11 HB2 SER 3 1HB SER 3 -0.060 9.117 19.198 12 HB3 SER 3 2HB SER 3 -1.716 8.735 19.667 13 HG SER 3 HG SER 3 0.507 9.143 21.226 14 H GLY 4 H GLY 4 -2.936 6.565 19.175 15 HA2 GLY 4 1HA GLY 4 -2.754 6.187 16.248 16 HA3 GLY 4 2HA GLY 4 -3.804 5.219 17.272 17 H SER 5 H SER 5 -5.609 5.839 16.013 18 HA SER 5 HA SER 5 -6.741 8.386 16.852 19 HB2 SER 5 1HB SER 5 -5.617 8.877 14.698 20 HB3 SER 5 2HB SER 5 -6.577 7.614 13.928 21 HG SER 5 HG SER 5 -8.197 8.944 13.825 22 H SER 6 H SER 6 -9.024 8.480 16.684 23 HA SER 6 HA SER 6 -10.453 6.311 17.434 24 HB2 SER 6 1HB SER 6 -11.351 8.673 15.780 25 HB3 SER 6 2HB SER 6 -12.477 7.473 16.412 26 HG SER 6 HG SER 6 -11.879 9.513 17.690 27 H GLY 7 H GLY 7 -10.123 7.419 14.062 28 HA2 GLY 7 1HA GLY 7 -9.813 4.928 12.905 29 HA3 GLY 7 2HA GLY 7 -11.547 5.205 12.973 30 H GLU 8 H GLU 8 -10.342 4.866 10.551 31 HA GLU 8 HA GLU 8 -9.730 7.446 9.397 32 HB2 GLU 8 1HB GLU 8 -9.364 6.243 7.336 33 HB3 GLU 8 2HB GLU 8 -8.585 5.376 8.650 34 HG2 GLU 8 1HG GLU 8 -10.509 3.838 8.739 35 HG3 GLU 8 2HG GLU 8 -11.211 4.679 7.357 36 HA PRO 9 HA PRO 9 -13.810 8.538 8.176 37 HB2 PRO 9 1HB PRO 9 -13.242 10.099 6.029 38 HB3 PRO 9 2HB PRO 9 -12.954 10.615 7.694 39 HG2 PRO 9 1HG PRO 9 -11.023 9.501 5.698 40 HG3 PRO 9 2HG PRO 9 -10.813 10.857 6.820 41 HD2 PRO 9 1HD PRO 9 -9.807 8.392 7.311 42 HD3 PRO 9 2HD PRO 9 -10.359 9.473 8.605 43 H GLU 10 H GLU 10 -15.308 8.459 6.322 44 HA GLU 10 HA GLU 10 -14.673 6.171 4.592 45 HB2 GLU 10 1HB GLU 10 -17.319 7.346 5.456 46 HB3 GLU 10 2HB GLU 10 -17.164 6.057 4.272 47 HG2 GLU 10 1HG GLU 10 -16.027 5.810 7.034 48 HG3 GLU 10 2HG GLU 10 -17.704 5.404 6.671 49 H LYS 11 H LYS 11 -15.904 6.242 2.434 50 HA LYS 11 HA LYS 11 -15.403 8.870 1.213 51 HB2 LYS 11 1HB LYS 11 -15.215 6.062 0.182 52 HB3 LYS 11 2HB LYS 11 -15.458 7.393 -0.941 53 HG2 LYS 11 1HG LYS 11 -13.175 7.201 -0.950 54 HG3 LYS 11 2HG LYS 11 -13.411 8.436 0.289 55 HD2 LYS 11 1HD LYS 11 -11.950 7.029 1.366 56 HD3 LYS 11 2HD LYS 11 -13.494 6.354 1.890 57 HE2 LYS 11 1HE LYS 11 -13.333 4.544 0.423 58 HE3 LYS 11 2HE LYS 11 -12.116 5.341 -0.572 59 HZ1 LYS 11 1HZ LYS 11 -10.639 5.195 1.458 60 HZ2 LYS 11 2HZ LYS 11 -10.965 3.740 0.660 61 HZ3 LYS 11 3HZ LYS 11 -11.773 4.114 2.098 62 H LEU 12 H LEU 12 -17.456 9.728 1.746 63 HA LEU 12 HA LEU 12 -19.591 8.765 -0.021 64 HB2 LEU 12 1HB LEU 12 -21.248 9.207 1.752 65 HB3 LEU 12 2HB LEU 12 -20.149 7.885 2.137 66 HG LEU 12 HG LEU 12 -18.855 9.802 3.419 67 HD11 LEU 12 1HD1 LEU 12 -21.186 11.144 2.576 68 HD12 LEU 12 2HD1 LEU 12 -19.921 11.729 3.655 69 HD13 LEU 12 3HD1 LEU 12 -21.330 10.901 4.317 70 HD21 LEU 12 1HD2 LEU 12 -20.127 7.660 4.209 71 HD22 LEU 12 2HD2 LEU 12 -21.341 8.821 4.746 72 HD23 LEU 12 3HD2 LEU 12 -19.693 8.916 5.369 73 H GLY 13 H GLY 13 -21.221 10.389 -0.508 74 HA2 GLY 13 1HA GLY 13 -21.217 13.033 0.288 75 HA3 GLY 13 2HA GLY 13 -20.043 12.936 -1.016 76 H GLN 14 H GLN 14 -23.091 13.790 -0.418 77 HA GLN 14 HA GLN 14 -24.051 12.897 -3.057 78 HB2 GLN 14 1HB GLN 14 -25.524 13.356 -0.477 79 HB3 GLN 14 2HB GLN 14 -26.363 13.410 -2.022 80 HG2 GLN 14 1HG GLN 14 -24.756 11.065 -1.033 81 HG3 GLN 14 2HG GLN 14 -26.506 11.224 -0.878 82 HE21 GLN 14 1HE2 GLN 14 -27.787 11.181 -2.760 83 HE22 GLN 14 2HE2 GLN 14 -27.205 10.466 -4.222 84 H ALA 15 H ALA 15 -22.410 15.157 -2.748 85 HA ALA 15 HA ALA 15 -23.951 17.109 -4.098 86 HB1 ALA 15 1HB ALA 15 -24.297 17.263 -1.383 87 HB2 ALA 15 2HB ALA 15 -23.016 18.440 -1.678 88 HB3 ALA 15 3HB ALA 15 -24.554 18.580 -2.528 89 H LEU 16 H LEU 16 -22.658 19.138 -4.483 90 HA LEU 16 HA LEU 16 -19.863 18.387 -4.873 91 HB2 LEU 16 1HB LEU 16 -19.759 20.029 -6.540 92 HB3 LEU 16 2HB LEU 16 -21.339 19.272 -6.730 93 HG LEU 16 HG LEU 16 -22.085 21.320 -5.216 94 HD11 LEU 16 1HD1 LEU 16 -19.522 22.199 -6.508 95 HD12 LEU 16 2HD1 LEU 16 -20.020 22.363 -4.825 96 HD13 LEU 16 3HD1 LEU 16 -20.796 23.337 -6.073 97 HD21 LEU 16 1HD2 LEU 16 -23.115 20.968 -7.292 98 HD22 LEU 16 2HD2 LEU 16 -21.614 21.231 -8.181 99 HD23 LEU 16 3HD2 LEU 16 -22.429 22.589 -7.403 100 H THR 17 H THR 17 -18.135 19.604 -4.149 101 HA THR 17 HA THR 17 -18.675 21.926 -2.459 102 HB THR 17 HB THR 17 -17.272 21.081 -0.634 103 HG1 THR 17 1HG THR 17 -17.024 18.896 -2.384 104 HG21 THR 17 1HG2 THR 17 -19.585 20.755 -0.277 105 HG22 THR 17 2HG2 THR 17 -18.827 19.215 0.128 106 HG23 THR 17 3HG2 THR 17 -19.652 19.413 -1.418 107 H GLU 18 H GLU 18 -16.692 23.109 -1.883 108 HA GLU 18 HA GLU 18 -14.938 23.280 -4.148 109 HB2 GLU 18 1HB GLU 18 -15.314 24.822 -1.618 110 HB3 GLU 18 2HB GLU 18 -13.809 25.014 -2.505 111 HG2 GLU 18 1HG GLU 18 -14.894 25.889 -4.385 112 HG3 GLU 18 2HG GLU 18 -16.475 25.334 -3.836 113 H VAL 19 H VAL 19 -13.204 22.058 -4.427 114 HA VAL 19 HA VAL 19 -12.148 20.246 -2.636 115 HB VAL 19 HB VAL 19 -10.498 21.632 -4.744 116 HG11 VAL 19 1HG1 VAL 19 -9.015 20.223 -3.762 117 HG12 VAL 19 2HG1 VAL 19 -10.272 19.140 -3.163 118 HG13 VAL 19 3HG1 VAL 19 -9.773 19.065 -4.853 119 HG21 VAL 19 1HG2 VAL 19 -12.867 19.946 -5.023 120 HG22 VAL 19 2HG2 VAL 19 -12.076 20.993 -6.201 121 HG23 VAL 19 3HG2 VAL 19 -11.468 19.361 -5.925 122 H TYR 20 H TYR 20 -10.023 20.214 -1.589 123 HA TYR 20 HA TYR 20 -9.509 22.770 -0.252 124 HB2 TYR 20 1HB TYR 20 -8.049 21.067 1.193 125 HB3 TYR 20 2HB TYR 20 -9.775 21.280 1.463 126 HD1 TYR 20 1HD TYR 20 -7.849 19.349 -1.094 127 HD2 TYR 20 2HD TYR 20 -10.698 19.251 2.064 128 HE1 TYR 20 1HE TYR 20 -8.202 16.948 -1.496 129 HE2 TYR 20 2HE TYR 20 -11.058 16.850 1.673 130 HH TYR 20 HH TYR 20 -9.869 14.946 0.684 131 H ALA 21 H ALA 21 -8.401 23.453 -2.284 132 HA ALA 21 HA ALA 21 -5.897 22.235 -2.965 133 HB1 ALA 21 1HB ALA 21 -6.235 24.982 -3.861 134 HB2 ALA 21 2HB ALA 21 -6.020 23.502 -4.797 135 HB3 ALA 21 3HB ALA 21 -7.625 23.963 -4.233 136 H LYS 22 H LYS 22 -5.710 22.622 -0.322 137 HA LYS 22 HA LYS 22 -3.369 24.157 -0.037 138 HB2 LYS 22 1HB LYS 22 -4.747 26.109 -0.105 139 HB3 LYS 22 2HB LYS 22 -5.910 25.402 1.010 140 HG2 LYS 22 1HG LYS 22 -4.343 25.547 2.824 141 HG3 LYS 22 2HG LYS 22 -3.069 26.089 1.729 142 HD2 LYS 22 1HD LYS 22 -5.609 27.644 1.870 143 HD3 LYS 22 2HD LYS 22 -4.433 27.810 3.176 144 HE2 LYS 22 1HE LYS 22 -3.644 28.083 0.291 145 HE3 LYS 22 2HE LYS 22 -4.286 29.445 1.207 146 HZ1 LYS 22 1HZ LYS 22 -1.682 28.251 1.299 147 HZ2 LYS 22 2HZ LYS 22 -2.366 28.424 2.835 148 HZ3 LYS 22 3HZ LYS 22 -2.189 29.774 1.833 149 H ALA 23 H ALA 23 -2.379 22.682 1.190 150 HA ALA 23 HA ALA 23 -3.676 21.908 3.717 151 HB1 ALA 23 1HB ALA 23 -2.271 19.715 3.339 152 HB2 ALA 23 2HB ALA 23 -3.876 19.905 2.630 153 HB3 ALA 23 3HB ALA 23 -2.438 20.172 1.643 154 H ASN 24 H ASN 24 -2.070 21.056 5.330 155 HA ASN 24 HA ASN 24 0.100 22.930 5.546 156 HB2 ASN 24 1HB ASN 24 -0.998 20.762 7.316 157 HB3 ASN 24 2HB ASN 24 0.535 21.542 7.697 158 HD21 ASN 24 1HD2 ASN 24 0.442 23.978 7.673 159 HD22 ASN 24 2HD2 ASN 24 -0.946 24.706 8.402 160 H SER 25 H SER 25 2.256 21.968 6.450 161 HA SER 25 HA SER 25 3.293 20.258 4.359 162 HB2 SER 25 1HB SER 25 4.679 21.603 6.692 163 HB3 SER 25 2HB SER 25 5.495 20.736 5.391 164 HG SER 25 HG SER 25 4.401 23.256 5.415 165 H PHE 26 H PHE 26 1.568 18.728 5.670 166 HA PHE 26 HA PHE 26 3.141 16.570 6.591 167 HB2 PHE 26 1HB PHE 26 3.106 18.155 8.608 168 HB3 PHE 26 2HB PHE 26 1.401 17.741 8.754 169 HD1 PHE 26 2HD PHE 26 4.398 15.677 7.951 170 HD2 PHE 26 1HD PHE 26 1.144 16.394 10.599 171 HE1 PHE 26 2HE PHE 26 5.001 13.665 9.233 172 HE2 PHE 26 1HE PHE 26 1.743 14.384 11.885 173 HZ PHE 26 HZ PHE 26 3.673 13.015 11.202 174 H THR 27 H THR 27 2.083 14.921 5.734 175 HA THR 27 HA THR 27 -0.847 14.826 6.004 176 HB THR 27 HB THR 27 0.747 14.060 3.551 177 HG1 THR 27 1HG THR 27 0.088 16.365 4.060 178 HG21 THR 27 1HG2 THR 27 -1.230 13.255 2.568 179 HG22 THR 27 2HG2 THR 27 -2.245 13.962 3.825 180 HG23 THR 27 3HG2 THR 27 -1.232 12.566 4.191 181 H VAL 28 H VAL 28 -1.528 13.054 7.004 182 HA VAL 28 HA VAL 28 0.207 10.670 6.976 183 HB VAL 28 HB VAL 28 -1.662 11.559 9.178 184 HG11 VAL 28 1HG1 VAL 28 -1.152 9.020 8.653 185 HG12 VAL 28 2HG1 VAL 28 0.342 9.389 9.518 186 HG13 VAL 28 3HG1 VAL 28 -1.219 9.624 10.308 187 HG21 VAL 28 1HG2 VAL 28 0.612 12.766 8.747 188 HG22 VAL 28 2HG2 VAL 28 0.160 12.295 10.386 189 HG23 VAL 28 3HG2 VAL 28 1.300 11.311 9.468 190 H SER 29 H SER 29 -0.653 9.210 5.649 191 HA SER 29 HA SER 29 -3.556 8.731 5.807 192 HB2 SER 29 1HB SER 29 -2.752 9.788 3.643 193 HB3 SER 29 2HB SER 29 -1.877 8.290 3.333 194 HG SER 29 HG SER 29 -4.672 8.476 3.792 195 H SER 30 H SER 30 -4.204 6.514 5.207 196 HA SER 30 HA SER 30 -2.124 4.548 5.917 197 HB2 SER 30 1HB SER 30 -4.940 4.846 6.893 198 HB3 SER 30 2HB SER 30 -4.230 3.234 6.797 199 HG SER 30 HG SER 30 -2.810 3.743 8.332 200 H VAL 31 H VAL 31 -2.389 2.419 5.028 201 HA VAL 31 HA VAL 31 -4.026 2.369 2.577 202 HB VAL 31 HB VAL 31 -1.257 1.239 2.985 203 HG11 VAL 31 1HG1 VAL 31 -1.685 -0.267 1.414 204 HG12 VAL 31 2HG1 VAL 31 -3.351 0.304 1.299 205 HG13 VAL 31 3HG1 VAL 31 -2.097 1.027 0.290 206 HG21 VAL 31 1HG2 VAL 31 -1.677 3.734 2.444 207 HG22 VAL 31 2HG2 VAL 31 -0.488 2.843 1.494 208 HG23 VAL 31 3HG2 VAL 31 -2.095 3.145 0.835 209 H ALA 32 H ALA 32 -5.519 0.834 2.586 210 HA ALA 32 HA ALA 32 -5.837 -1.059 4.613 211 HB1 ALA 32 1HB ALA 32 -7.696 -0.322 3.252 212 HB2 ALA 32 2HB ALA 32 -6.976 -1.062 1.821 213 HB3 ALA 32 3HB ALA 32 -7.538 -2.076 3.151 214 H ALA 33 H ALA 33 -4.266 -2.508 5.027 215 HA ALA 33 HA ALA 33 -3.663 -4.462 2.935 216 HB1 ALA 33 1HB ALA 33 -1.224 -4.333 4.015 217 HB2 ALA 33 2HB ALA 33 -1.702 -3.376 2.613 218 HB3 ALA 33 3HB ALA 33 -1.711 -2.650 4.221 219 HA PRO 34 HA PRO 34 -4.343 -7.306 6.229 220 HB2 PRO 34 1HB PRO 34 -3.105 -9.480 5.172 221 HB3 PRO 34 2HB PRO 34 -4.667 -8.887 4.593 222 HG2 PRO 34 1HG PRO 34 -1.934 -8.455 3.450 223 HG3 PRO 34 2HG PRO 34 -3.451 -8.829 2.611 224 HD2 PRO 34 1HD PRO 34 -2.437 -6.322 2.736 225 HD3 PRO 34 2HD PRO 34 -4.182 -6.645 2.692 226 H SER 35 H SER 35 -3.010 -9.047 7.465 227 HA SER 35 HA SER 35 -0.313 -7.980 7.984 228 HB2 SER 35 1HB SER 35 -1.723 -7.329 9.827 229 HB3 SER 35 2HB SER 35 -2.372 -8.963 9.971 230 HG SER 35 HG SER 35 -0.607 -8.282 11.464 231 H TRP 36 H TRP 36 -2.273 -10.700 7.335 232 HA TRP 36 HA TRP 36 -0.671 -12.752 8.420 233 HB2 TRP 36 1HB TRP 36 -1.868 -14.231 6.829 234 HB3 TRP 36 2HB TRP 36 -2.959 -13.184 7.734 235 HD1 TRP 36 HD TRP 36 -4.249 -11.282 6.372 236 HE1 TRP 36 1HE TRP 36 -4.709 -10.974 3.859 237 HE3 TRP 36 3HE TRP 36 -0.845 -14.611 4.509 238 HZ2 TRP 36 2HZ TRP 36 -3.755 -12.004 1.410 239 HZ3 TRP 36 3HZ TRP 36 -0.682 -14.890 2.071 240 HH2 TRP 36 HH TRP 36 -2.109 -13.614 0.554 241 H LEU 37 H LEU 37 -0.215 -10.687 5.743 242 HA LEU 37 HA LEU 37 1.893 -12.449 4.681 243 HB2 LEU 37 1HB LEU 37 1.707 -11.005 2.623 244 HB3 LEU 37 2HB LEU 37 0.338 -12.061 2.961 245 HG LEU 37 HG LEU 37 -0.703 -9.955 4.058 246 HD11 LEU 37 1HD1 LEU 37 1.110 -8.460 4.102 247 HD12 LEU 37 2HD1 LEU 37 0.065 -7.885 2.803 248 HD13 LEU 37 3HD1 LEU 37 1.530 -8.789 2.421 249 HD21 LEU 37 1HD2 LEU 37 -1.061 -9.164 1.471 250 HD22 LEU 37 2HD2 LEU 37 -1.946 -10.465 2.266 251 HD23 LEU 37 3HD2 LEU 37 -0.536 -10.836 1.273 252 H HIS 38 H HIS 38 2.134 -10.677 6.983 253 HA HIS 38 HA HIS 38 3.557 -8.328 6.215 254 HB2 HIS 38 1HB HIS 38 3.046 -9.776 8.773 255 HB3 HIS 38 2HB HIS 38 4.367 -8.612 8.726 256 HD2 HIS 38 2HD HIS 38 1.884 -7.038 6.521 257 HE1 HIS 38 1HE HIS 38 0.699 -5.852 10.419 258 HE2 HIS 38 2HE HIS 38 0.374 -5.496 7.946 259 H ARG 39 H ARG 39 4.428 -11.646 6.774 260 HA ARG 39 HA ARG 39 7.215 -11.247 7.143 261 HB2 ARG 39 1HB ARG 39 5.873 -13.719 6.047 262 HB3 ARG 39 2HB ARG 39 7.430 -13.620 6.858 263 HG2 ARG 39 1HG ARG 39 5.023 -12.710 8.339 264 HG3 ARG 39 2HG ARG 39 5.261 -14.444 8.106 265 HD2 ARG 39 1HD ARG 39 7.330 -14.412 9.242 266 HD3 ARG 39 2HD ARG 39 7.418 -12.652 9.186 267 HE ARG 39 HE ARG 39 5.140 -13.244 10.613 268 HH11 ARG 39 1HH1 ARG 39 8.549 -13.891 10.902 269 HH12 ARG 39 2HH1 ARG 39 8.523 -13.951 12.633 270 HH21 ARG 39 1HH2 ARG 39 5.095 -13.318 12.893 271 HH22 ARG 39 2HH2 ARG 39 6.558 -13.625 13.765 272 H PHE 40 H PHE 40 5.162 -11.675 4.332 273 HA PHE 40 HA PHE 40 7.441 -11.841 2.537 274 HB2 PHE 40 1HB PHE 40 4.482 -12.125 2.254 275 HB3 PHE 40 2HB PHE 40 5.420 -11.695 0.827 276 HD1 PHE 40 2HD PHE 40 7.470 -13.204 0.316 277 HD2 PHE 40 1HD PHE 40 4.226 -14.342 2.824 278 HE1 PHE 40 2HE PHE 40 8.046 -15.573 -0.021 279 HE2 PHE 40 1HE PHE 40 4.796 -16.713 2.493 280 HZ PHE 40 HZ PHE 40 6.707 -17.331 1.067 281 H ILE 41 H ILE 41 4.935 -9.553 3.462 282 HA ILE 41 HA ILE 41 5.451 -7.621 1.469 283 HB ILE 41 HB ILE 41 3.454 -7.811 3.131 284 HG12 ILE 41 1HG1 ILE 41 4.501 -5.028 2.651 285 HG13 ILE 41 2HG1 ILE 41 3.955 -6.046 1.324 286 HG21 ILE 41 1HG2 ILE 41 3.572 -6.578 5.127 287 HG22 ILE 41 2HG2 ILE 41 5.037 -7.559 5.104 288 HG23 ILE 41 3HG2 ILE 41 5.115 -5.849 4.683 289 HD11 ILE 41 1HD1 ILE 41 2.422 -4.542 3.279 290 HD12 ILE 41 2HD1 ILE 41 1.951 -5.162 1.696 291 HD13 ILE 41 3HD1 ILE 41 1.883 -6.213 3.111 292 H ILE 42 H ILE 42 6.804 -8.171 4.674 293 HA ILE 42 HA ILE 42 8.371 -5.754 4.636 294 HB ILE 42 HB ILE 42 8.502 -8.142 6.481 295 HG12 ILE 42 1HG1 ILE 42 7.379 -5.399 7.046 296 HG13 ILE 42 2HG1 ILE 42 6.386 -6.722 6.446 297 HG21 ILE 42 1HG2 ILE 42 10.516 -7.283 6.987 298 HG22 ILE 42 2HG2 ILE 42 10.154 -5.728 6.241 299 HG23 ILE 42 3HG2 ILE 42 9.577 -6.079 7.869 300 HD11 ILE 42 1HD1 ILE 42 7.057 -8.044 8.434 301 HD12 ILE 42 2HD1 ILE 42 7.887 -6.614 9.047 302 HD13 ILE 42 3HD1 ILE 42 6.140 -6.587 8.813 303 H GLY 43 H GLY 43 9.061 -9.236 4.353 304 HA2 GLY 43 1HA GLY 43 10.652 -10.144 2.853 305 HA3 GLY 43 2HA GLY 43 11.424 -8.568 2.758 306 H LYS 44 H LYS 44 13.078 -10.619 3.039 307 HA LYS 44 HA LYS 44 13.614 -11.538 5.628 308 HB2 LYS 44 1HB LYS 44 15.331 -11.187 3.184 309 HB3 LYS 44 2HB LYS 44 16.004 -11.795 4.690 310 HG2 LYS 44 1HG LYS 44 14.011 -13.485 4.545 311 HG3 LYS 44 2HG LYS 44 14.060 -13.067 2.830 312 HD2 LYS 44 1HD LYS 44 16.485 -13.954 4.381 313 HD3 LYS 44 2HD LYS 44 15.433 -15.073 3.512 314 HE2 LYS 44 1HE LYS 44 15.842 -13.464 1.505 315 HE3 LYS 44 2HE LYS 44 17.244 -12.948 2.441 316 HZ1 LYS 44 1HZ LYS 44 18.291 -14.670 1.542 317 HZ2 LYS 44 2HZ LYS 44 16.864 -15.330 0.918 318 HZ3 LYS 44 3HZ LYS 44 17.335 -15.681 2.505 319 H LYS 45 H LYS 45 14.494 -10.621 7.369 320 HA LYS 45 HA LYS 45 15.181 -8.915 8.739 321 HB2 LYS 45 1HB LYS 45 17.273 -9.962 7.558 322 HB3 LYS 45 2HB LYS 45 17.365 -8.400 6.753 323 HG2 LYS 45 1HG LYS 45 18.788 -8.246 8.612 324 HG3 LYS 45 2HG LYS 45 17.328 -7.362 9.061 325 HD2 LYS 45 1HD LYS 45 16.610 -9.703 10.030 326 HD3 LYS 45 2HD LYS 45 18.354 -9.976 10.059 327 HE2 LYS 45 1HE LYS 45 17.047 -7.550 11.270 328 HE3 LYS 45 2HE LYS 45 17.340 -9.036 12.174 329 HZ1 LYS 45 1HZ LYS 45 19.129 -6.941 11.627 330 HZ2 LYS 45 2HZ LYS 45 19.714 -8.346 10.888 331 HZ3 LYS 45 3HZ LYS 45 19.392 -8.337 12.548 332 H GLY 46 H GLY 46 13.269 -8.105 6.700 333 HA2 GLY 46 1HA GLY 46 12.291 -6.155 5.983 334 HA3 GLY 46 2HA GLY 46 13.392 -5.309 7.060 335 H GLN 47 H GLN 47 13.370 -6.975 3.913 336 HA GLN 47 HA GLN 47 15.497 -5.187 2.995 337 HB2 GLN 47 1HB GLN 47 15.525 -6.715 0.993 338 HB3 GLN 47 2HB GLN 47 15.952 -7.475 2.521 339 HG2 GLN 47 1HG GLN 47 13.771 -8.472 2.692 340 HG3 GLN 47 2HG GLN 47 13.228 -7.615 1.252 341 HE21 GLN 47 1HE2 GLN 47 12.824 -10.170 1.117 342 HE22 GLN 47 2HE2 GLN 47 13.989 -10.985 0.136 343 H ASN 48 H ASN 48 12.184 -6.151 2.246 344 HA ASN 48 HA ASN 48 11.914 -4.560 -0.081 345 HB2 ASN 48 1HB ASN 48 9.702 -5.450 1.778 346 HB3 ASN 48 2HB ASN 48 9.552 -5.019 0.078 347 HD21 ASN 48 1HD2 ASN 48 8.660 -7.430 1.151 348 HD22 ASN 48 2HD2 ASN 48 9.597 -8.714 0.476 349 H LEU 49 H LEU 49 11.098 -4.012 3.324 350 HA LEU 49 HA LEU 49 9.869 -1.506 2.993 351 HB2 LEU 49 1HB LEU 49 11.176 -2.917 5.279 352 HB3 LEU 49 2HB LEU 49 10.707 -1.226 5.452 353 HG LEU 49 HG LEU 49 8.826 -3.484 4.765 354 HD11 LEU 49 1HD1 LEU 49 9.191 -2.007 7.368 355 HD12 LEU 49 2HD1 LEU 49 9.722 -3.658 7.047 356 HD13 LEU 49 3HD1 LEU 49 8.003 -3.266 7.032 357 HD21 LEU 49 1HD2 LEU 49 7.335 -1.920 4.264 358 HD22 LEU 49 2HD2 LEU 49 8.587 -0.691 4.448 359 HD23 LEU 49 3HD2 LEU 49 7.585 -1.143 5.828 360 H ALA 50 H ALA 50 13.214 -2.324 3.905 361 HA ALA 50 HA ALA 50 14.260 0.203 4.191 362 HB1 ALA 50 1HB ALA 50 15.301 -2.445 3.734 363 HB2 ALA 50 2HB ALA 50 16.272 -1.230 2.901 364 HB3 ALA 50 3HB ALA 50 16.001 -1.103 4.639 365 H LYS 51 H LYS 51 13.711 -1.607 1.208 366 HA LYS 51 HA LYS 51 15.035 0.065 -0.582 367 HB2 LYS 51 1HB LYS 51 12.741 -1.835 -0.807 368 HB3 LYS 51 2HB LYS 51 13.106 -0.787 -2.170 369 HG2 LYS 51 1HG LYS 51 15.541 -1.695 -1.808 370 HG3 LYS 51 2HG LYS 51 14.690 -3.025 -1.018 371 HD2 LYS 51 1HD LYS 51 14.836 -3.755 -3.213 372 HD3 LYS 51 2HD LYS 51 13.227 -3.033 -3.158 373 HE2 LYS 51 1HE LYS 51 14.342 -2.317 -5.167 374 HE3 LYS 51 2HE LYS 51 14.185 -0.942 -4.077 375 HZ1 LYS 51 1HZ LYS 51 16.392 -0.769 -3.846 376 HZ2 LYS 51 2HZ LYS 51 16.462 -1.653 -5.286 377 HZ3 LYS 51 3HZ LYS 51 16.642 -2.441 -3.800 378 H ILE 52 H ILE 52 11.540 0.054 0.149 379 HA ILE 52 HA ILE 52 10.799 2.289 -1.272 380 HB ILE 52 HB ILE 52 9.719 1.419 1.412 381 HG12 ILE 52 1HG1 ILE 52 8.655 0.819 -1.353 382 HG13 ILE 52 2HG1 ILE 52 9.698 -0.280 -0.455 383 HG21 ILE 52 1HG2 ILE 52 7.903 2.744 -0.447 384 HG22 ILE 52 2HG2 ILE 52 8.140 2.997 1.281 385 HG23 ILE 52 3HG2 ILE 52 9.211 3.781 0.120 386 HD11 ILE 52 1HD1 ILE 52 7.967 -0.244 1.368 387 HD12 ILE 52 2HD1 ILE 52 6.914 0.600 0.233 388 HD13 ILE 52 3HD1 ILE 52 7.487 -1.026 -0.138 389 H THR 53 H THR 53 11.575 2.265 2.213 390 HA THR 53 HA THR 53 11.519 4.985 2.664 391 HB THR 53 HB THR 53 13.208 4.537 4.498 392 HG1 THR 53 1HG THR 53 12.865 1.803 3.868 393 HG21 THR 53 1HG2 THR 53 11.043 4.409 5.274 394 HG22 THR 53 2HG2 THR 53 11.604 2.770 5.600 395 HG23 THR 53 3HG2 THR 53 10.614 3.096 4.178 396 H GLN 54 H GLN 54 14.001 3.064 1.133 397 HA GLN 54 HA GLN 54 16.141 4.868 1.290 398 HB2 GLN 54 1HB GLN 54 16.073 2.405 0.468 399 HB3 GLN 54 2HB GLN 54 15.697 3.106 -1.100 400 HG2 GLN 54 1HG GLN 54 17.769 4.131 -1.281 401 HG3 GLN 54 2HG GLN 54 18.076 4.036 0.452 402 HE21 GLN 54 1HE2 GLN 54 18.143 1.725 1.296 403 HE22 GLN 54 2HE2 GLN 54 19.040 0.595 0.345 404 H GLN 55 H GLN 55 13.655 4.454 -1.215 405 HA GLN 55 HA GLN 55 14.628 6.712 -2.722 406 HB2 GLN 55 1HB GLN 55 13.607 4.756 -3.833 407 HB3 GLN 55 2HB GLN 55 12.078 5.120 -3.044 408 HG2 GLN 55 1HG GLN 55 11.853 5.978 -5.198 409 HG3 GLN 55 2HG GLN 55 12.207 7.383 -4.193 410 HE21 GLN 55 1HE2 GLN 55 13.691 5.006 -6.335 411 HE22 GLN 55 2HE2 GLN 55 14.941 6.046 -6.920 412 H MET 56 H MET 56 12.163 6.083 -0.338 413 HA MET 56 HA MET 56 11.438 8.934 -0.416 414 HB2 MET 56 1HB MET 56 9.634 6.544 -0.089 415 HB3 MET 56 2HB MET 56 9.150 8.158 0.416 416 HG2 MET 56 1HG MET 56 9.104 8.963 -1.761 417 HG3 MET 56 2HG MET 56 10.113 7.652 -2.368 418 HE1 MET 56 1HE MET 56 8.052 4.726 -2.867 419 HE2 MET 56 2HE MET 56 8.444 5.860 -4.159 420 HE3 MET 56 3HE MET 56 9.605 5.562 -2.865 421 HA PRO 57 HA PRO 57 13.068 7.892 3.770 422 HB2 PRO 57 1HB PRO 57 14.365 10.255 4.089 423 HB3 PRO 57 2HB PRO 57 15.080 8.872 3.254 424 HG2 PRO 57 1HG PRO 57 13.754 11.298 2.106 425 HG3 PRO 57 2HG PRO 57 15.237 10.480 1.582 426 HD2 PRO 57 1HD PRO 57 12.858 10.123 0.338 427 HD3 PRO 57 2HD PRO 57 14.081 8.840 0.447 428 H LYS 58 H LYS 58 11.636 10.903 2.564 429 HA LYS 58 HA LYS 58 10.842 11.953 5.045 430 HB2 LYS 58 1HB LYS 58 9.630 12.332 2.301 431 HB3 LYS 58 2HB LYS 58 9.231 13.306 3.711 432 HG2 LYS 58 1HG LYS 58 12.079 13.083 2.872 433 HG3 LYS 58 2HG LYS 58 10.990 14.129 1.959 434 HD2 LYS 58 1HD LYS 58 10.347 14.969 4.384 435 HD3 LYS 58 2HD LYS 58 11.966 14.374 4.759 436 HE2 LYS 58 1HE LYS 58 12.476 16.516 4.164 437 HE3 LYS 58 2HE LYS 58 12.583 15.742 2.584 438 HZ1 LYS 58 1HZ LYS 58 10.632 16.679 1.889 439 HZ2 LYS 58 2HZ LYS 58 11.211 17.911 2.893 440 HZ3 LYS 58 3HZ LYS 58 10.010 16.858 3.452 441 H VAL 59 H VAL 59 9.512 9.442 3.072 442 HA VAL 59 HA VAL 59 6.950 9.461 4.445 443 HB VAL 59 HB VAL 59 8.047 7.573 2.356 444 HG11 VAL 59 1HG1 VAL 59 5.998 7.088 4.146 445 HG12 VAL 59 2HG1 VAL 59 5.164 7.642 2.693 446 HG13 VAL 59 3HG1 VAL 59 6.260 6.263 2.609 447 HG21 VAL 59 1HG2 VAL 59 6.558 8.714 0.822 448 HG22 VAL 59 2HG2 VAL 59 5.988 9.766 2.117 449 HG23 VAL 59 3HG2 VAL 59 7.659 9.874 1.565 450 H HIS 60 H HIS 60 6.381 8.160 6.086 451 HA HIS 60 HA HIS 60 8.351 6.161 6.980 452 HB2 HIS 60 1HB HIS 60 7.732 8.261 8.426 453 HB3 HIS 60 2HB HIS 60 6.290 7.329 8.815 454 HD1 HIS 60 1HD HIS 60 9.664 5.725 8.405 455 HD2 HIS 60 2HD HIS 60 7.035 6.810 11.433 456 HE1 HIS 60 1HE HIS 60 10.572 4.662 10.495 457 H ILE 61 H ILE 61 7.744 4.108 6.876 458 HA ILE 61 HA ILE 61 4.909 3.490 6.477 459 HB ILE 61 HB ILE 61 7.344 1.746 6.089 460 HG12 ILE 61 1HG1 ILE 61 5.511 2.970 4.020 461 HG13 ILE 61 2HG1 ILE 61 7.066 3.654 4.482 462 HG21 ILE 61 1HG2 ILE 61 5.274 0.609 4.694 463 HG22 ILE 61 2HG2 ILE 61 5.876 0.072 6.263 464 HG23 ILE 61 3HG2 ILE 61 4.491 1.160 6.175 465 HD11 ILE 61 1HD1 ILE 61 8.213 2.171 3.264 466 HD12 ILE 61 2HD1 ILE 61 7.152 0.832 3.703 467 HD13 ILE 61 3HD1 ILE 61 6.680 1.949 2.422 468 H GLU 62 H GLU 62 3.733 2.281 7.867 469 HA GLU 62 HA GLU 62 5.113 1.128 10.197 470 HB2 GLU 62 1HB GLU 62 3.882 3.362 10.599 471 HB3 GLU 62 2HB GLU 62 2.407 2.421 10.422 472 HG2 GLU 62 1HG GLU 62 3.060 1.005 12.279 473 HG3 GLU 62 2HG GLU 62 4.578 1.889 12.438 474 H PHE 63 H PHE 63 4.085 -0.674 11.169 475 HA PHE 63 HA PHE 63 1.984 -1.928 9.532 476 HB2 PHE 63 1HB PHE 63 4.621 -3.010 10.393 477 HB3 PHE 63 2HB PHE 63 3.251 -4.115 10.385 478 HD1 PHE 63 2HD PHE 63 1.772 -3.893 8.146 479 HD2 PHE 63 1HD PHE 63 5.909 -2.959 8.508 480 HE1 PHE 63 2HE PHE 63 2.055 -4.225 5.725 481 HE2 PHE 63 1HE PHE 63 6.198 -3.289 6.087 482 HZ PHE 63 HZ PHE 63 4.270 -3.923 4.692 483 H THR 64 H THR 64 0.231 -2.423 10.659 484 HA THR 64 HA THR 64 0.424 -2.547 13.585 485 HB THR 64 HB THR 64 -2.151 -2.407 13.389 486 HG1 THR 64 1HG THR 64 -1.553 -1.215 10.890 487 HG21 THR 64 1HG2 THR 64 -0.309 -0.130 12.673 488 HG22 THR 64 2HG2 THR 64 -0.926 -0.561 14.267 489 HG23 THR 64 3HG2 THR 64 -2.018 0.088 13.044 490 H GLU 65 H GLU 65 -0.317 -4.282 14.750 491 HA GLU 65 HA GLU 65 -0.500 -6.785 13.315 492 HB2 GLU 65 1HB GLU 65 -0.518 -7.811 15.549 493 HB3 GLU 65 2HB GLU 65 0.817 -6.684 15.361 494 HG2 GLU 65 1HG GLU 65 -0.392 -5.000 16.617 495 HG3 GLU 65 2HG GLU 65 -1.778 -6.079 16.759 496 H GLY 66 H GLY 66 -2.605 -4.749 15.293 497 HA2 GLY 66 1HA GLY 66 -4.835 -6.601 14.861 498 HA3 GLY 66 2HA GLY 66 -4.824 -5.237 15.969 499 H GLU 67 H GLU 67 -4.227 -3.101 14.529 500 HA GLU 67 HA GLU 67 -6.549 -2.387 13.240 501 HB2 GLU 67 1HB GLU 67 -3.793 -1.288 12.664 502 HB3 GLU 67 2HB GLU 67 -5.319 -0.486 12.324 503 HG2 GLU 67 1HG GLU 67 -5.780 -0.171 14.613 504 HG3 GLU 67 2HG GLU 67 -4.501 -1.281 15.099 505 H ASP 68 H ASP 68 -3.838 -4.153 11.995 506 HA ASP 68 HA ASP 68 -3.380 -5.086 9.969 507 HB2 ASP 68 1HB ASP 68 -6.354 -5.174 10.181 508 HB3 ASP 68 2HB ASP 68 -5.622 -5.597 8.636 509 H LYS 69 H LYS 69 -2.836 -2.497 9.850 510 HA LYS 69 HA LYS 69 -3.442 -1.837 7.095 511 HB2 LYS 69 1HB LYS 69 -4.490 0.202 7.429 512 HB3 LYS 69 2HB LYS 69 -5.203 -0.782 8.700 513 HG2 LYS 69 1HG LYS 69 -3.806 0.209 10.355 514 HG3 LYS 69 2HG LYS 69 -2.847 1.039 9.128 515 HD2 LYS 69 1HD LYS 69 -4.258 2.714 9.897 516 HD3 LYS 69 2HD LYS 69 -5.096 2.133 8.456 517 HE2 LYS 69 1HE LYS 69 -6.832 2.163 9.943 518 HE3 LYS 69 2HE LYS 69 -6.246 0.519 10.190 519 HZ1 LYS 69 1HZ LYS 69 -5.993 2.863 11.938 520 HZ2 LYS 69 2HZ LYS 69 -4.789 1.677 11.993 521 HZ3 LYS 69 3HZ LYS 69 -6.394 1.266 12.331 522 H ILE 70 H ILE 70 -2.187 0.148 6.406 523 HA ILE 70 HA ILE 70 0.381 0.230 7.852 524 HB ILE 70 HB ILE 70 -0.120 0.543 4.890 525 HG12 ILE 70 1HG1 ILE 70 1.430 -1.578 6.390 526 HG13 ILE 70 2HG1 ILE 70 -0.216 -1.784 5.801 527 HG21 ILE 70 1HG2 ILE 70 2.642 0.272 5.730 528 HG22 ILE 70 2HG2 ILE 70 1.902 1.446 4.643 529 HG23 ILE 70 3HG2 ILE 70 1.884 1.723 6.384 530 HD11 ILE 70 1HD1 ILE 70 0.480 -1.685 3.551 531 HD12 ILE 70 2HD1 ILE 70 2.086 -1.106 3.999 532 HD13 ILE 70 3HD1 ILE 70 1.608 -2.761 4.376 533 H THR 71 H THR 71 0.596 2.085 8.906 534 HA THR 71 HA THR 71 -0.775 4.480 8.038 535 HB THR 71 HB THR 71 1.168 4.210 10.336 536 HG1 THR 71 1HG THR 71 -1.662 3.845 10.305 537 HG21 THR 71 1HG2 THR 71 0.841 6.434 10.372 538 HG22 THR 71 2HG2 THR 71 -0.748 6.038 11.027 539 HG23 THR 71 3HG2 THR 71 -0.556 6.339 9.301 540 H LEU 72 H LEU 72 0.113 6.257 7.118 541 HA LEU 72 HA LEU 72 3.005 6.176 6.555 542 HB2 LEU 72 1HB LEU 72 0.700 6.989 4.815 543 HB3 LEU 72 2HB LEU 72 2.341 7.543 4.492 544 HG LEU 72 HG LEU 72 1.915 5.689 3.068 545 HD11 LEU 72 1HD1 LEU 72 3.531 4.635 5.380 546 HD12 LEU 72 2HD1 LEU 72 4.132 5.798 4.199 547 HD13 LEU 72 3HD1 LEU 72 3.662 4.179 3.682 548 HD21 LEU 72 1HD2 LEU 72 0.040 4.841 4.630 549 HD22 LEU 72 2HD2 LEU 72 1.321 3.905 5.399 550 HD23 LEU 72 3HD2 LEU 72 0.961 3.667 3.688 551 H GLU 73 H GLU 73 4.156 8.092 6.673 552 HA GLU 73 HA GLU 73 2.698 10.472 7.587 553 HB2 GLU 73 1HB GLU 73 3.508 9.553 9.621 554 HB3 GLU 73 2HB GLU 73 5.071 9.172 8.912 555 HG2 GLU 73 1HG GLU 73 5.522 11.589 8.695 556 HG3 GLU 73 2HG GLU 73 3.994 11.917 9.513 557 H GLY 74 H GLY 74 3.169 12.155 6.346 558 HA2 GLY 74 1HA GLY 74 5.551 13.295 5.785 559 HA3 GLY 74 2HA GLY 74 5.434 12.053 4.547 560 HA PRO 75 HA PRO 75 3.398 15.962 3.025 561 HB2 PRO 75 1HB PRO 75 4.774 16.073 0.688 562 HB3 PRO 75 2HB PRO 75 5.365 16.801 2.186 563 HG2 PRO 75 1HG PRO 75 6.100 14.184 0.933 564 HG3 PRO 75 2HG PRO 75 7.151 15.399 1.685 565 HD2 PRO 75 1HD PRO 75 6.376 13.146 2.972 566 HD3 PRO 75 2HD PRO 75 6.668 14.678 3.820 567 H THR 76 H THR 76 1.546 15.799 1.927 568 HA THR 76 HA THR 76 0.426 13.503 0.985 569 HB THR 76 HB THR 76 -0.884 15.532 1.277 570 HG1 THR 76 1HG THR 76 -1.263 13.795 -0.543 571 HG21 THR 76 1HG2 THR 76 -0.715 17.056 -0.944 572 HG22 THR 76 2HG2 THR 76 0.969 16.557 -0.780 573 HG23 THR 76 3HG2 THR 76 0.165 17.400 0.544 574 H GLU 77 H GLU 77 2.779 15.485 -0.610 575 HA GLU 77 HA GLU 77 2.355 14.585 -3.260 576 HB2 GLU 77 1HB GLU 77 3.637 16.618 -2.711 577 HB3 GLU 77 2HB GLU 77 4.891 15.624 -1.985 578 HG2 GLU 77 1HG GLU 77 5.434 14.651 -4.103 579 HG3 GLU 77 2HG GLU 77 4.062 15.449 -4.871 580 H ASP 78 H ASP 78 4.927 13.708 -0.947 581 HA ASP 78 HA ASP 78 5.804 11.483 -2.486 582 HB2 ASP 78 1HB ASP 78 6.299 12.110 0.434 583 HB3 ASP 78 2HB ASP 78 7.194 10.942 -0.535 584 H VAL 79 H VAL 79 3.866 11.768 0.480 585 HA VAL 79 HA VAL 79 3.476 9.149 1.138 586 HB VAL 79 HB VAL 79 1.367 11.312 1.166 587 HG11 VAL 79 1HG1 VAL 79 -0.048 9.858 2.073 588 HG12 VAL 79 2HG1 VAL 79 1.100 8.573 1.689 589 HG13 VAL 79 3HG1 VAL 79 1.153 9.362 3.266 590 HG21 VAL 79 1HG2 VAL 79 2.178 12.024 3.186 591 HG22 VAL 79 2HG2 VAL 79 2.904 10.463 3.572 592 HG23 VAL 79 3HG2 VAL 79 3.682 11.534 2.406 593 H SER 80 H SER 80 1.923 10.950 -1.460 594 HA SER 80 HA SER 80 -0.024 9.036 -2.144 595 HB2 SER 80 1HB SER 80 0.017 11.419 -2.926 596 HB3 SER 80 2HB SER 80 1.330 10.985 -4.022 597 HG SER 80 HG SER 80 -1.299 10.680 -4.370 598 H VAL 81 H VAL 81 3.333 9.452 -3.129 599 HA VAL 81 HA VAL 81 3.273 7.416 -5.132 600 HB VAL 81 HB VAL 81 5.656 8.593 -3.695 601 HG11 VAL 81 1HG1 VAL 81 5.356 6.596 -5.827 602 HG12 VAL 81 2HG1 VAL 81 6.522 7.877 -6.166 603 HG13 VAL 81 3HG1 VAL 81 6.698 6.884 -4.719 604 HG21 VAL 81 1HG2 VAL 81 4.415 9.373 -6.332 605 HG22 VAL 81 2HG2 VAL 81 4.293 10.292 -4.832 606 HG23 VAL 81 3HG2 VAL 81 5.861 10.079 -5.610 607 H ALA 82 H ALA 82 4.765 7.552 -1.893 608 HA ALA 82 HA ALA 82 5.642 4.927 -1.753 609 HB1 ALA 82 1HB ALA 82 4.823 6.912 0.331 610 HB2 ALA 82 2HB ALA 82 5.284 5.272 0.786 611 HB3 ALA 82 3HB ALA 82 6.431 6.306 -0.065 612 H GLN 83 H GLN 83 2.553 6.253 -0.564 613 HA GLN 83 HA GLN 83 1.439 3.909 0.395 614 HB2 GLN 83 1HB GLN 83 -0.618 5.016 0.410 615 HB3 GLN 83 2HB GLN 83 0.552 6.324 0.511 616 HG2 GLN 83 1HG GLN 83 0.248 6.892 -1.767 617 HG3 GLN 83 2HG GLN 83 -0.675 5.423 -2.077 618 HE21 GLN 83 1HE2 GLN 83 -2.810 5.299 -1.414 619 HE22 GLN 83 2HE2 GLN 83 -3.715 6.692 -0.941 620 H GLU 84 H GLU 84 1.539 5.149 -2.902 621 HA GLU 84 HA GLU 84 -0.197 3.190 -4.009 622 HB2 GLU 84 1HB GLU 84 0.355 5.396 -5.064 623 HB3 GLU 84 2HB GLU 84 1.953 4.762 -5.434 624 HG2 GLU 84 1HG GLU 84 1.113 3.213 -6.967 625 HG3 GLU 84 2HG GLU 84 -0.535 3.378 -6.364 626 H GLN 85 H GLN 85 3.327 3.463 -3.761 627 HA GLN 85 HA GLN 85 4.022 1.208 -5.243 628 HB2 GLN 85 1HB GLN 85 5.429 2.344 -2.820 629 HB3 GLN 85 2HB GLN 85 6.139 1.245 -3.995 630 HG2 GLN 85 1HG GLN 85 4.988 3.811 -4.958 631 HG3 GLN 85 2HG GLN 85 6.543 3.832 -4.126 632 HE21 GLN 85 1HE2 GLN 85 7.764 4.375 -5.876 633 HE22 GLN 85 2HE2 GLN 85 8.002 3.334 -7.235 634 H ILE 86 H ILE 86 2.930 1.514 -1.927 635 HA ILE 86 HA ILE 86 3.535 -1.204 -1.224 636 HB ILE 86 HB ILE 86 1.692 0.735 0.178 637 HG12 ILE 86 1HG1 ILE 86 4.571 0.131 0.853 638 HG13 ILE 86 2HG1 ILE 86 4.098 1.491 -0.159 639 HG21 ILE 86 1HG2 ILE 86 3.151 -1.573 1.417 640 HG22 ILE 86 2HG2 ILE 86 1.764 -0.678 2.036 641 HG23 ILE 86 3HG2 ILE 86 1.566 -1.778 0.672 642 HD11 ILE 86 1HD1 ILE 86 4.062 1.221 2.714 643 HD12 ILE 86 2HD1 ILE 86 3.943 2.667 1.710 644 HD13 ILE 86 3HD1 ILE 86 2.497 1.730 2.083 645 H GLU 87 H GLU 87 0.723 0.558 -2.384 646 HA GLU 87 HA GLU 87 -1.215 -1.424 -1.914 647 HB2 GLU 87 1HB GLU 87 -1.012 0.930 -3.747 648 HB3 GLU 87 2HB GLU 87 -2.316 -0.223 -3.988 649 HG2 GLU 87 1HG GLU 87 -2.679 0.141 -1.413 650 HG3 GLU 87 2HG GLU 87 -1.833 1.653 -1.735 651 H GLY 88 H GLY 88 1.045 -0.916 -4.561 652 HA2 GLY 88 1HA GLY 88 -0.079 -2.776 -6.369 653 HA3 GLY 88 2HA GLY 88 1.581 -2.201 -6.387 654 H MET 89 H MET 89 2.681 -3.123 -4.137 655 HA MET 89 HA MET 89 3.168 -5.828 -4.690 656 HB2 MET 89 1HB MET 89 4.420 -5.841 -2.566 657 HB3 MET 89 2HB MET 89 4.812 -4.444 -3.559 658 HG2 MET 89 1HG MET 89 3.822 -2.968 -2.127 659 HG3 MET 89 2HG MET 89 2.688 -4.164 -1.504 660 HE1 MET 89 1HE MET 89 6.794 -3.011 -0.144 661 HE2 MET 89 2HE MET 89 5.752 -2.347 -1.403 662 HE3 MET 89 3HE MET 89 5.377 -2.059 0.297 663 H VAL 90 H VAL 90 0.847 -4.268 -2.621 664 HA VAL 90 HA VAL 90 0.203 -6.516 -1.009 665 HB VAL 90 HB VAL 90 -1.333 -4.004 -1.661 666 HG11 VAL 90 1HG1 VAL 90 -2.196 -6.453 -0.272 667 HG12 VAL 90 2HG1 VAL 90 -2.542 -4.937 0.563 668 HG13 VAL 90 3HG1 VAL 90 -3.148 -5.203 -1.073 669 HG21 VAL 90 1HG2 VAL 90 0.837 -4.327 -0.077 670 HG22 VAL 90 2HG2 VAL 90 -0.401 -3.099 0.180 671 HG23 VAL 90 3HG2 VAL 90 -0.462 -4.613 1.082 672 H LYS 91 H LYS 91 -1.664 -4.993 -3.645 673 HA LYS 91 HA LYS 91 -3.550 -7.039 -3.903 674 HB2 LYS 91 1HB LYS 91 -3.665 -4.704 -4.875 675 HB3 LYS 91 2HB LYS 91 -2.592 -5.266 -6.151 676 HG2 LYS 91 1HG LYS 91 -4.442 -7.146 -6.371 677 HG3 LYS 91 2HG LYS 91 -5.449 -5.884 -5.658 678 HD2 LYS 91 1HD LYS 91 -3.704 -5.449 -8.075 679 HD3 LYS 91 2HD LYS 91 -5.399 -5.933 -8.175 680 HE2 LYS 91 1HE LYS 91 -6.050 -3.913 -6.968 681 HE3 LYS 91 2HE LYS 91 -4.359 -3.436 -6.837 682 HZ1 LYS 91 1HZ LYS 91 -4.357 -3.539 -9.361 683 HZ2 LYS 91 2HZ LYS 91 -5.177 -2.244 -8.645 684 HZ3 LYS 91 3HZ LYS 91 -6.046 -3.559 -9.259 685 H ASP 92 H ASP 92 -0.435 -6.561 -5.500 686 HA ASP 92 HA ASP 92 -0.638 -8.675 -7.344 687 HB2 ASP 92 1HB ASP 92 1.064 -7.020 -7.662 688 HB3 ASP 92 2HB ASP 92 1.761 -7.347 -6.077 689 H LEU 93 H LEU 93 0.664 -8.552 -4.050 690 HA LEU 93 HA LEU 93 1.618 -11.199 -3.965 691 HB2 LEU 93 1HB LEU 93 0.779 -9.245 -1.847 692 HB3 LEU 93 2HB LEU 93 1.321 -10.872 -1.440 693 HG LEU 93 HG LEU 93 3.044 -9.050 -3.080 694 HD11 LEU 93 1HD1 LEU 93 3.357 -9.196 -0.120 695 HD12 LEU 93 2HD1 LEU 93 2.202 -8.058 -0.812 696 HD13 LEU 93 3HD1 LEU 93 3.906 -7.961 -1.253 697 HD21 LEU 93 1HD2 LEU 93 3.710 -11.360 -2.990 698 HD22 LEU 93 2HD2 LEU 93 3.571 -11.373 -1.232 699 HD23 LEU 93 3HD2 LEU 93 4.823 -10.404 -2.010 700 H ILE 94 H ILE 94 -1.548 -9.813 -3.451 701 HA ILE 94 HA ILE 94 -2.674 -12.186 -2.286 702 HB ILE 94 HB ILE 94 -4.051 -9.770 -3.468 703 HG12 ILE 94 1HG1 ILE 94 -3.694 -10.422 -0.547 704 HG13 ILE 94 2HG1 ILE 94 -2.504 -9.478 -1.437 705 HG21 ILE 94 1HG2 ILE 94 -5.254 -12.106 -3.137 706 HG22 ILE 94 2HG2 ILE 94 -5.349 -11.541 -1.470 707 HG23 ILE 94 3HG2 ILE 94 -6.062 -10.583 -2.767 708 HD11 ILE 94 1HD1 ILE 94 -4.919 -8.262 -2.029 709 HD12 ILE 94 2HD1 ILE 94 -5.038 -8.676 -0.319 710 HD13 ILE 94 3HD1 ILE 94 -3.693 -7.691 -0.896 711 H ASN 95 H ASN 95 -2.777 -10.632 -5.474 712 HA ASN 95 HA ASN 95 -4.557 -12.359 -6.733 713 HB2 ASN 95 1HB ASN 95 -2.151 -11.103 -8.063 714 HB3 ASN 95 2HB ASN 95 -3.683 -11.543 -8.812 715 HD21 ASN 95 1HD2 ASN 95 -2.535 -9.011 -8.999 716 HD22 ASN 95 2HD2 ASN 95 -3.555 -7.882 -8.181 717 H ARG 96 H ARG 96 -1.102 -12.688 -6.145 718 HA ARG 96 HA ARG 96 -0.915 -15.134 -7.675 719 HB2 ARG 96 1HB ARG 96 1.421 -15.179 -6.867 720 HB3 ARG 96 2HB ARG 96 1.002 -13.651 -7.629 721 HG2 ARG 96 1HG ARG 96 2.070 -12.842 -5.808 722 HG3 ARG 96 2HG ARG 96 0.454 -12.994 -5.113 723 HD2 ARG 96 1HD ARG 96 2.135 -13.916 -3.612 724 HD3 ARG 96 2HD ARG 96 1.055 -15.181 -4.199 725 HE ARG 96 HE ARG 96 3.287 -15.071 -5.883 726 HH11 ARG 96 1HH1 ARG 96 2.475 -15.913 -2.603 727 HH12 ARG 96 2HH1 ARG 96 3.750 -17.075 -2.448 728 HH21 ARG 96 1HH2 ARG 96 4.970 -16.599 -5.691 729 HH22 ARG 96 2HH2 ARG 96 5.168 -17.464 -4.204 730 H SER 97 H SER 97 -1.649 -14.215 -4.453 731 HA SER 97 HA SER 97 -0.805 -16.503 -3.054 732 HB2 SER 97 1HB SER 97 -1.558 -14.340 -2.018 733 HB3 SER 97 2HB SER 97 -3.217 -14.794 -2.408 734 HG SER 97 HG SER 97 -1.504 -15.792 -0.465 735 H GLY 98 H GLY 98 -1.663 -18.488 -2.773 736 HA2 GLY 98 1HA GLY 98 -3.527 -19.999 -2.656 737 HA3 GLY 98 2HA GLY 98 -4.357 -19.003 -3.844 738 HA PRO 99 HA PRO 99 -1.734 -22.587 -5.720 739 HB2 PRO 99 1HB PRO 99 -3.510 -24.639 -5.662 740 HB3 PRO 99 2HB PRO 99 -2.334 -24.349 -4.374 741 HG2 PRO 99 1HG PRO 99 -5.235 -23.620 -4.489 742 HG3 PRO 99 2HG PRO 99 -4.305 -24.301 -3.142 743 HD2 PRO 99 1HD PRO 99 -4.917 -21.668 -3.308 744 HD3 PRO 99 2HD PRO 99 -3.419 -22.255 -2.556 745 H SER 100 H SER 100 -2.023 -21.334 -7.597 746 HA SER 100 HA SER 100 -4.551 -21.322 -8.981 747 HB2 SER 100 1HB SER 100 -1.833 -20.170 -9.501 748 HB3 SER 100 2HB SER 100 -2.997 -20.273 -10.823 749 HG SER 100 HG SER 100 -4.282 -18.853 -9.830 750 H SER 101 H SER 101 -4.472 -21.860 -11.419 751 HA SER 101 HA SER 101 -4.432 -24.531 -11.837 752 HB2 SER 101 1HB SER 101 -3.665 -22.429 -13.877 753 HB3 SER 101 2HB SER 101 -4.186 -24.071 -14.252 754 HG SER 101 HG SER 101 -6.201 -23.576 -13.725 755 H GLY 102 H GLY 102 -2.989 -25.986 -12.971 756 HA2 GLY 102 1HA GLY 102 -0.704 -26.298 -13.875 757 HA3 GLY 102 2HA GLY 102 -0.145 -25.303 -12.538 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 25.590 34.442 -44.185 2 HA2 GLY 1 1HA GLY 1 25.659 33.724 -47.050 3 HA3 GLY 1 2HA GLY 1 24.855 32.769 -45.811 4 H SER 2 H SER 2 22.947 32.862 -47.116 5 HA SER 2 HA SER 2 21.275 35.105 -46.428 6 HB2 SER 2 1HB SER 2 22.395 35.904 -48.497 7 HB3 SER 2 2HB SER 2 21.765 34.498 -49.354 8 HG SER 2 HG SER 2 19.648 35.424 -48.372 9 H SER 3 H SER 3 19.098 34.618 -46.497 10 HA SER 3 HA SER 3 17.987 32.415 -47.874 11 HB2 SER 3 1HB SER 3 19.410 31.377 -45.933 12 HB3 SER 3 2HB SER 3 18.059 31.889 -44.922 13 HG SER 3 HG SER 3 17.311 30.586 -47.220 14 H GLY 4 H GLY 4 15.780 32.496 -47.858 15 HA2 GLY 4 1HA GLY 4 14.608 34.711 -46.327 16 HA3 GLY 4 2HA GLY 4 13.925 33.991 -47.776 17 H SER 5 H SER 5 12.242 34.386 -45.741 18 HA SER 5 HA SER 5 11.280 31.778 -45.184 19 HB2 SER 5 1HB SER 5 13.213 32.260 -43.457 20 HB3 SER 5 2HB SER 5 11.970 33.214 -42.650 21 HG SER 5 HG SER 5 11.385 30.595 -43.471 22 H SER 6 H SER 6 9.185 31.784 -44.292 23 HA SER 6 HA SER 6 7.966 34.290 -43.515 24 HB2 SER 6 1HB SER 6 6.424 34.498 -45.280 25 HB3 SER 6 2HB SER 6 7.946 34.134 -46.093 26 HG SER 6 HG SER 6 5.633 32.684 -45.982 27 H GLY 7 H GLY 7 6.635 33.855 -41.892 28 HA2 GLY 7 1HA GLY 7 4.711 31.755 -41.976 29 HA3 GLY 7 2HA GLY 7 6.053 31.334 -40.922 30 H GLU 8 H GLU 8 3.395 31.621 -40.045 31 HA GLU 8 HA GLU 8 3.574 34.074 -38.422 32 HB2 GLU 8 1HB GLU 8 1.234 32.636 -39.614 33 HB3 GLU 8 2HB GLU 8 1.015 33.560 -38.135 34 HG2 GLU 8 1HG GLU 8 0.508 35.167 -39.648 35 HG3 GLU 8 2HG GLU 8 2.248 35.425 -39.540 36 HA PRO 9 HA PRO 9 4.139 30.544 -35.509 37 HB2 PRO 9 1HB PRO 9 5.953 31.838 -33.956 38 HB3 PRO 9 2HB PRO 9 6.399 30.951 -35.419 39 HG2 PRO 9 1HG PRO 9 5.986 33.892 -35.038 40 HG3 PRO 9 2HG PRO 9 7.262 33.048 -35.937 41 HD2 PRO 9 1HD PRO 9 5.118 34.168 -37.154 42 HD3 PRO 9 2HD PRO 9 5.914 32.708 -37.775 43 H GLU 10 H GLU 10 4.214 30.784 -32.969 44 HA GLU 10 HA GLU 10 2.238 32.828 -32.195 45 HB2 GLU 10 1HB GLU 10 1.288 31.181 -30.618 46 HB3 GLU 10 2HB GLU 10 1.146 30.666 -32.293 47 HG2 GLU 10 1HG GLU 10 3.268 29.327 -31.897 48 HG3 GLU 10 2HG GLU 10 3.012 29.641 -30.182 49 H LYS 11 H LYS 11 3.224 34.253 -30.929 50 HA LYS 11 HA LYS 11 5.060 33.244 -28.855 51 HB2 LYS 11 1HB LYS 11 6.187 34.546 -30.675 52 HB3 LYS 11 2HB LYS 11 5.216 35.939 -30.215 53 HG2 LYS 11 1HG LYS 11 7.344 36.199 -29.210 54 HG3 LYS 11 2HG LYS 11 6.214 35.765 -27.925 55 HD2 LYS 11 1HD LYS 11 8.170 34.478 -27.563 56 HD3 LYS 11 2HD LYS 11 6.967 33.376 -28.234 57 HE2 LYS 11 1HE LYS 11 8.003 33.371 -30.349 58 HE3 LYS 11 2HE LYS 11 8.986 34.782 -29.959 59 HZ1 LYS 11 1HZ LYS 11 10.481 33.076 -29.723 60 HZ2 LYS 11 2HZ LYS 11 9.336 31.989 -29.114 61 HZ3 LYS 11 3HZ LYS 11 9.929 33.231 -28.131 62 H LEU 12 H LEU 12 4.534 33.713 -26.819 63 HA LEU 12 HA LEU 12 3.453 34.570 -25.011 64 HB2 LEU 12 1HB LEU 12 3.660 36.901 -26.844 65 HB3 LEU 12 2HB LEU 12 2.615 37.044 -25.432 66 HG LEU 12 HG LEU 12 5.512 36.257 -25.230 67 HD11 LEU 12 1HD1 LEU 12 5.607 38.758 -24.403 68 HD12 LEU 12 2HD1 LEU 12 4.268 38.939 -25.536 69 HD13 LEU 12 3HD1 LEU 12 5.827 38.342 -26.103 70 HD21 LEU 12 1HD2 LEU 12 5.275 36.502 -22.971 71 HD22 LEU 12 2HD2 LEU 12 3.653 35.948 -23.384 72 HD23 LEU 12 3HD2 LEU 12 3.959 37.666 -23.120 73 H GLY 13 H GLY 13 1.938 32.954 -26.684 74 HA2 GLY 13 1HA GLY 13 -0.720 33.859 -25.979 75 HA3 GLY 13 2HA GLY 13 -0.433 33.730 -27.708 76 H GLN 14 H GLN 14 -0.076 31.841 -24.711 77 HA GLN 14 HA GLN 14 -0.761 29.436 -26.268 78 HB2 GLN 14 1HB GLN 14 1.516 29.712 -24.963 79 HB3 GLN 14 2HB GLN 14 0.529 29.264 -23.578 80 HG2 GLN 14 1HG GLN 14 0.120 27.143 -24.384 81 HG3 GLN 14 2HG GLN 14 0.463 27.599 -26.053 82 HE21 GLN 14 1HE2 GLN 14 1.998 26.114 -26.508 83 HE22 GLN 14 2HE2 GLN 14 3.529 26.026 -25.712 84 H ALA 15 H ALA 15 -1.946 27.750 -25.033 85 HA ALA 15 HA ALA 15 -3.946 29.009 -23.277 86 HB1 ALA 15 1HB ALA 15 -4.262 27.486 -25.611 87 HB2 ALA 15 2HB ALA 15 -4.788 26.457 -24.278 88 HB3 ALA 15 3HB ALA 15 -5.520 28.045 -24.508 89 H LEU 16 H LEU 16 -1.499 28.145 -22.196 90 HA LEU 16 HA LEU 16 -2.371 25.821 -20.609 91 HB2 LEU 16 1HB LEU 16 0.462 26.587 -21.293 92 HB3 LEU 16 2HB LEU 16 -0.042 25.190 -20.347 93 HG LEU 16 HG LEU 16 -1.000 25.462 -23.161 94 HD11 LEU 16 1HD1 LEU 16 0.953 24.861 -24.138 95 HD12 LEU 16 2HD1 LEU 16 1.536 24.006 -22.710 96 HD13 LEU 16 3HD1 LEU 16 1.622 25.766 -22.780 97 HD21 LEU 16 1HD2 LEU 16 -1.742 23.687 -21.485 98 HD22 LEU 16 2HD2 LEU 16 -0.122 23.011 -21.665 99 HD23 LEU 16 3HD2 LEU 16 -1.190 23.129 -23.065 100 H THR 17 H THR 17 -3.282 27.046 -18.968 101 HA THR 17 HA THR 17 -2.289 29.311 -17.755 102 HB THR 17 HB THR 17 -3.648 27.100 -16.216 103 HG1 THR 17 1HG THR 17 -4.599 28.760 -18.249 104 HG21 THR 17 1HG2 THR 17 -3.616 30.107 -15.945 105 HG22 THR 17 2HG2 THR 17 -2.908 28.933 -14.836 106 HG23 THR 17 3HG2 THR 17 -4.660 29.032 -15.015 107 H GLU 18 H GLU 18 -1.287 29.559 -15.607 108 HA GLU 18 HA GLU 18 0.625 27.414 -14.981 109 HB2 GLU 18 1HB GLU 18 2.359 29.124 -14.572 110 HB3 GLU 18 2HB GLU 18 1.834 29.090 -16.250 111 HG2 GLU 18 1HG GLU 18 0.220 30.983 -15.508 112 HG3 GLU 18 2HG GLU 18 1.337 31.152 -14.155 113 H VAL 19 H VAL 19 -0.389 26.734 -13.140 114 HA VAL 19 HA VAL 19 -1.396 28.543 -11.164 115 HB VAL 19 HB VAL 19 -1.726 26.534 -9.776 116 HG11 VAL 19 1HG1 VAL 19 -2.609 26.186 -12.640 117 HG12 VAL 19 2HG1 VAL 19 -3.342 25.419 -11.229 118 HG13 VAL 19 3HG1 VAL 19 -3.417 27.172 -11.421 119 HG21 VAL 19 1HG2 VAL 19 0.252 25.455 -11.570 120 HG22 VAL 19 2HG2 VAL 19 -0.349 24.807 -10.044 121 HG23 VAL 19 3HG2 VAL 19 -1.192 24.442 -11.549 122 H TYR 20 H TYR 20 -0.665 28.409 -8.860 123 HA TYR 20 HA TYR 20 2.251 28.086 -8.649 124 HB2 TYR 20 1HB TYR 20 2.371 30.124 -7.285 125 HB3 TYR 20 2HB TYR 20 1.754 30.474 -8.897 126 HD1 TYR 20 2HD TYR 20 -0.695 30.886 -9.206 127 HD2 TYR 20 1HD TYR 20 1.075 30.571 -5.350 128 HE1 TYR 20 2HE TYR 20 -2.666 31.978 -8.219 129 HE2 TYR 20 1HE TYR 20 -0.891 31.662 -4.352 130 HH TYR 20 HH TYR 20 -2.770 33.390 -5.406 131 H ALA 21 H ALA 21 2.824 26.799 -7.034 132 HA ALA 21 HA ALA 21 0.866 26.265 -4.904 133 HB1 ALA 21 1HB ALA 21 1.450 24.298 -6.173 134 HB2 ALA 21 2HB ALA 21 3.168 24.587 -5.894 135 HB3 ALA 21 3HB ALA 21 2.114 24.163 -4.545 136 H LYS 22 H LYS 22 1.258 27.085 -2.965 137 HA LYS 22 HA LYS 22 3.507 28.587 -2.298 138 HB2 LYS 22 1HB LYS 22 1.312 27.325 -0.693 139 HB3 LYS 22 2HB LYS 22 2.658 28.103 0.129 140 HG2 LYS 22 1HG LYS 22 2.070 30.081 -1.507 141 HG3 LYS 22 2HG LYS 22 0.491 29.293 -1.516 142 HD2 LYS 22 1HD LYS 22 1.813 29.748 1.108 143 HD3 LYS 22 2HD LYS 22 1.120 31.142 0.275 144 HE2 LYS 22 1HE LYS 22 -0.982 29.680 0.029 145 HE3 LYS 22 2HE LYS 22 -0.251 28.668 1.273 146 HZ1 LYS 22 1HZ LYS 22 -0.061 30.791 2.611 147 HZ2 LYS 22 2HZ LYS 22 -1.619 30.164 2.410 148 HZ3 LYS 22 3HZ LYS 22 -1.114 31.489 1.487 149 H ALA 23 H ALA 23 2.630 25.412 -0.920 150 HA ALA 23 HA ALA 23 5.179 24.270 -1.270 151 HB1 ALA 23 1HB ALA 23 5.427 24.263 1.437 152 HB2 ALA 23 2HB ALA 23 6.290 25.353 0.350 153 HB3 ALA 23 3HB ALA 23 4.810 25.890 1.144 154 H ASN 24 H ASN 24 5.411 22.199 -0.049 155 HA ASN 24 HA ASN 24 3.034 20.693 -0.222 156 HB2 ASN 24 1HB ASN 24 5.743 20.078 0.960 157 HB3 ASN 24 2HB ASN 24 4.438 18.895 0.907 158 HD21 ASN 24 1HD2 ASN 24 3.334 19.098 -1.459 159 HD22 ASN 24 2HD2 ASN 24 4.473 18.845 -2.734 160 H SER 25 H SER 25 2.220 19.293 1.598 161 HA SER 25 HA SER 25 2.290 20.676 4.187 162 HB2 SER 25 1HB SER 25 -0.120 20.539 4.419 163 HB3 SER 25 2HB SER 25 0.260 21.390 2.922 164 HG SER 25 HG SER 25 0.076 19.107 2.009 165 H PHE 26 H PHE 26 1.998 19.371 5.988 166 HA PHE 26 HA PHE 26 2.854 16.702 5.766 167 HB2 PHE 26 1HB PHE 26 2.858 18.410 7.791 168 HB3 PHE 26 2HB PHE 26 1.349 17.593 8.185 169 HD1 PHE 26 2HD PHE 26 4.588 16.340 6.830 170 HD2 PHE 26 1HD PHE 26 1.717 16.193 9.969 171 HE1 PHE 26 2HE PHE 26 5.856 14.524 7.901 172 HE2 PHE 26 1HE PHE 26 2.980 14.377 11.045 173 HZ PHE 26 HZ PHE 26 5.053 13.538 10.010 174 H THR 27 H THR 27 1.784 14.907 5.288 175 HA THR 27 HA THR 27 -1.119 14.816 5.762 176 HB THR 27 HB THR 27 0.363 14.079 3.251 177 HG1 THR 27 1HG THR 27 -0.917 16.158 3.801 178 HG21 THR 27 1HG2 THR 27 -1.661 12.925 2.471 179 HG22 THR 27 2HG2 THR 27 -2.384 13.121 4.067 180 HG23 THR 27 3HG2 THR 27 -0.951 12.113 3.866 181 H VAL 28 H VAL 28 -1.797 13.056 6.814 182 HA VAL 28 HA VAL 28 -0.014 10.711 6.915 183 HB VAL 28 HB VAL 28 -1.670 11.776 9.207 184 HG11 VAL 28 1HG1 VAL 28 0.429 9.682 9.492 185 HG12 VAL 28 2HG1 VAL 28 -1.017 9.971 10.462 186 HG13 VAL 28 3HG1 VAL 28 -1.155 9.221 8.871 187 HG21 VAL 28 1HG2 VAL 28 0.329 12.511 10.222 188 HG22 VAL 28 2HG2 VAL 28 1.331 11.682 9.031 189 HG23 VAL 28 3HG2 VAL 28 0.394 13.101 8.561 190 H SER 29 H SER 29 -1.001 9.155 5.805 191 HA SER 29 HA SER 29 -3.821 8.594 6.415 192 HB2 SER 29 1HB SER 29 -2.564 9.063 3.758 193 HB3 SER 29 2HB SER 29 -3.775 7.785 3.866 194 HG SER 29 HG SER 29 -4.666 9.857 3.359 195 H SER 30 H SER 30 -4.456 6.354 5.737 196 HA SER 30 HA SER 30 -2.188 4.500 6.073 197 HB2 SER 30 1HB SER 30 -3.720 3.006 7.304 198 HB3 SER 30 2HB SER 30 -3.561 4.572 8.099 199 HG SER 30 HG SER 30 -5.749 3.842 7.938 200 H VAL 31 H VAL 31 -2.428 2.399 5.101 201 HA VAL 31 HA VAL 31 -4.273 2.403 2.800 202 HB VAL 31 HB VAL 31 -1.452 1.350 2.977 203 HG11 VAL 31 1HG1 VAL 31 -2.370 1.029 0.364 204 HG12 VAL 31 2HG1 VAL 31 -2.026 -0.246 1.537 205 HG13 VAL 31 3HG1 VAL 31 -3.662 0.397 1.386 206 HG21 VAL 31 1HG2 VAL 31 -2.439 3.823 2.226 207 HG22 VAL 31 2HG2 VAL 31 -0.847 3.171 1.840 208 HG23 VAL 31 3HG2 VAL 31 -2.174 2.988 0.695 209 H ALA 32 H ALA 32 -5.746 0.849 2.847 210 HA ALA 32 HA ALA 32 -5.964 -1.098 4.811 211 HB1 ALA 32 1HB ALA 32 -7.859 -0.390 3.477 212 HB2 ALA 32 2HB ALA 32 -7.139 -1.106 2.034 213 HB3 ALA 32 3HB ALA 32 -7.660 -2.139 3.365 214 H ALA 33 H ALA 33 -4.499 -2.629 5.208 215 HA ALA 33 HA ALA 33 -3.825 -4.498 3.079 216 HB1 ALA 33 1HB ALA 33 -1.900 -2.649 4.336 217 HB2 ALA 33 2HB ALA 33 -1.376 -4.324 4.162 218 HB3 ALA 33 3HB ALA 33 -1.877 -3.406 2.743 219 HA PRO 34 HA PRO 34 -4.423 -7.386 6.352 220 HB2 PRO 34 1HB PRO 34 -3.182 -9.533 5.248 221 HB3 PRO 34 2HB PRO 34 -4.759 -8.951 4.704 222 HG2 PRO 34 1HG PRO 34 -2.053 -8.475 3.517 223 HG3 PRO 34 2HG PRO 34 -3.580 -8.857 2.702 224 HD2 PRO 34 1HD PRO 34 -2.591 -6.339 2.839 225 HD3 PRO 34 2HD PRO 34 -4.333 -6.681 2.822 226 H SER 35 H SER 35 -3.079 -9.080 7.592 227 HA SER 35 HA SER 35 -0.371 -8.010 8.055 228 HB2 SER 35 1HB SER 35 -1.718 -7.368 9.930 229 HB3 SER 35 2HB SER 35 -2.412 -8.984 10.060 230 HG SER 35 HG SER 35 -0.269 -9.725 10.563 231 H TRP 36 H TRP 36 -2.343 -10.755 7.484 232 HA TRP 36 HA TRP 36 -0.732 -12.801 8.526 233 HB2 TRP 36 1HB TRP 36 -1.926 -14.285 6.977 234 HB3 TRP 36 2HB TRP 36 -3.037 -13.174 7.773 235 HD1 TRP 36 HD TRP 36 -4.327 -11.434 6.263 236 HE1 TRP 36 1HE TRP 36 -4.608 -11.191 3.716 237 HE3 TRP 36 3HE TRP 36 -0.639 -14.626 4.730 238 HZ2 TRP 36 2HZ TRP 36 -3.423 -12.217 1.368 239 HZ3 TRP 36 3HZ TRP 36 -0.278 -14.939 2.316 240 HH2 TRP 36 HH TRP 36 -1.643 -13.759 0.671 241 H LEU 37 H LEU 37 -0.177 -10.672 5.950 242 HA LEU 37 HA LEU 37 1.915 -12.438 4.861 243 HB2 LEU 37 1HB LEU 37 1.773 -10.893 2.849 244 HB3 LEU 37 2HB LEU 37 0.440 -12.017 3.104 245 HG LEU 37 HG LEU 37 -0.714 -10.001 4.258 246 HD11 LEU 37 1HD1 LEU 37 1.290 -8.560 2.527 247 HD12 LEU 37 2HD1 LEU 37 1.294 -8.579 4.290 248 HD13 LEU 37 3HD1 LEU 37 -0.046 -7.833 3.420 249 HD21 LEU 37 1HD2 LEU 37 -0.530 -10.880 1.517 250 HD22 LEU 37 2HD2 LEU 37 -0.909 -9.160 1.607 251 HD23 LEU 37 3HD2 LEU 37 -1.935 -10.336 2.431 252 H HIS 38 H HIS 38 2.085 -10.672 7.204 253 HA HIS 38 HA HIS 38 3.526 -8.324 6.541 254 HB2 HIS 38 1HB HIS 38 3.013 -9.886 9.024 255 HB3 HIS 38 2HB HIS 38 4.362 -8.752 9.038 256 HD2 HIS 38 2HD HIS 38 1.933 -6.992 6.924 257 HE1 HIS 38 1HE HIS 38 0.750 -6.009 10.877 258 HE2 HIS 38 2HE HIS 38 0.453 -5.498 8.429 259 H ARG 39 H ARG 39 4.544 -11.582 7.510 260 HA ARG 39 HA ARG 39 7.298 -11.109 7.607 261 HB2 ARG 39 1HB ARG 39 7.571 -13.500 7.457 262 HB3 ARG 39 2HB ARG 39 6.167 -13.152 8.456 263 HG2 ARG 39 1HG ARG 39 4.670 -13.831 6.788 264 HG3 ARG 39 2HG ARG 39 5.912 -13.775 5.535 265 HD2 ARG 39 1HD ARG 39 7.088 -15.623 6.770 266 HD3 ARG 39 2HD ARG 39 5.655 -15.753 7.790 267 HE ARG 39 HE ARG 39 5.941 -16.659 5.072 268 HH11 ARG 39 1HH1 ARG 39 3.711 -15.704 7.569 269 HH12 ARG 39 2HH1 ARG 39 2.376 -16.574 6.891 270 HH21 ARG 39 1HH2 ARG 39 4.190 -17.809 4.169 271 HH22 ARG 39 2HH2 ARG 39 2.650 -17.773 4.958 272 H PHE 40 H PHE 40 5.182 -11.182 4.946 273 HA PHE 40 HA PHE 40 7.362 -11.690 3.052 274 HB2 PHE 40 1HB PHE 40 4.383 -11.827 2.885 275 HB3 PHE 40 2HB PHE 40 5.292 -11.500 1.414 276 HD1 PHE 40 2HD PHE 40 7.615 -13.148 1.575 277 HD2 PHE 40 1HD PHE 40 3.648 -13.998 2.864 278 HE1 PHE 40 2HE PHE 40 8.048 -15.555 1.311 279 HE2 PHE 40 1HE PHE 40 4.075 -16.406 2.601 280 HZ PHE 40 HZ PHE 40 6.276 -17.188 1.823 281 H ILE 41 H ILE 41 4.875 -9.303 3.856 282 HA ILE 41 HA ILE 41 5.492 -7.443 1.843 283 HB ILE 41 HB ILE 41 3.477 -7.524 3.492 284 HG12 ILE 41 1HG1 ILE 41 4.585 -4.781 2.948 285 HG13 ILE 41 2HG1 ILE 41 4.068 -5.828 1.631 286 HG21 ILE 41 1HG2 ILE 41 5.025 -7.259 5.477 287 HG22 ILE 41 2HG2 ILE 41 5.205 -5.574 4.990 288 HG23 ILE 41 3HG2 ILE 41 3.618 -6.196 5.439 289 HD11 ILE 41 1HD1 ILE 41 1.846 -5.992 2.860 290 HD12 ILE 41 2HD1 ILE 41 2.419 -4.628 3.823 291 HD13 ILE 41 3HD1 ILE 41 2.233 -4.460 2.077 292 H ILE 42 H ILE 42 6.947 -8.099 4.943 293 HA ILE 42 HA ILE 42 8.528 -5.669 4.917 294 HB ILE 42 HB ILE 42 8.706 -8.048 6.770 295 HG12 ILE 42 1HG1 ILE 42 7.421 -5.375 7.328 296 HG13 ILE 42 2HG1 ILE 42 6.510 -6.757 6.728 297 HG21 ILE 42 1HG2 ILE 42 9.648 -5.322 7.494 298 HG22 ILE 42 2HG2 ILE 42 10.219 -6.898 8.041 299 HG23 ILE 42 3HG2 ILE 42 10.659 -6.309 6.438 300 HD11 ILE 42 1HD1 ILE 42 6.338 -7.593 8.766 301 HD12 ILE 42 2HD1 ILE 42 8.085 -7.511 9.004 302 HD13 ILE 42 3HD1 ILE 42 7.076 -6.112 9.378 303 H GLY 43 H GLY 43 9.112 -9.167 4.625 304 HA2 GLY 43 1HA GLY 43 10.661 -9.895 2.873 305 HA3 GLY 43 2HA GLY 43 11.661 -8.508 3.283 306 H LYS 44 H LYS 44 12.441 -11.291 3.179 307 HA LYS 44 HA LYS 44 12.584 -12.714 5.475 308 HB2 LYS 44 1HB LYS 44 13.717 -13.210 3.259 309 HB3 LYS 44 2HB LYS 44 15.036 -12.180 3.799 310 HG2 LYS 44 1HG LYS 44 15.016 -13.746 5.888 311 HG3 LYS 44 2HG LYS 44 14.192 -14.858 4.792 312 HD2 LYS 44 1HD LYS 44 16.125 -14.352 3.169 313 HD3 LYS 44 2HD LYS 44 16.957 -13.709 4.585 314 HE2 LYS 44 1HE LYS 44 17.016 -15.786 5.642 315 HE3 LYS 44 2HE LYS 44 15.730 -16.442 4.630 316 HZ1 LYS 44 1HZ LYS 44 17.830 -17.366 3.974 317 HZ2 LYS 44 2HZ LYS 44 18.506 -15.829 3.774 318 HZ3 LYS 44 3HZ LYS 44 17.274 -16.352 2.739 319 H LYS 45 H LYS 45 14.621 -9.916 4.680 320 HA LYS 45 HA LYS 45 15.323 -9.731 7.536 321 HB2 LYS 45 1HB LYS 45 17.293 -10.335 6.259 322 HB3 LYS 45 2HB LYS 45 17.004 -9.021 5.126 323 HG2 LYS 45 1HG LYS 45 18.738 -8.306 6.550 324 HG3 LYS 45 2HG LYS 45 17.288 -7.439 7.065 325 HD2 LYS 45 1HD LYS 45 16.977 -9.238 8.807 326 HD3 LYS 45 2HD LYS 45 18.590 -9.818 8.380 327 HE2 LYS 45 1HE LYS 45 19.632 -8.003 9.298 328 HE3 LYS 45 2HE LYS 45 18.263 -6.931 9.007 329 HZ1 LYS 45 1HZ LYS 45 17.081 -7.996 10.818 330 HZ2 LYS 45 2HZ LYS 45 18.561 -7.383 11.363 331 HZ3 LYS 45 3HZ LYS 45 18.382 -9.044 11.091 332 H GLY 46 H GLY 46 14.823 -7.887 4.541 333 HA2 GLY 46 1HA GLY 46 13.072 -6.037 5.178 334 HA3 GLY 46 2HA GLY 46 14.437 -5.446 6.114 335 H GLN 47 H GLN 47 13.880 -6.668 2.806 336 HA GLN 47 HA GLN 47 15.600 -4.500 1.821 337 HB2 GLN 47 1HB GLN 47 15.014 -7.261 0.873 338 HB3 GLN 47 2HB GLN 47 15.368 -6.038 -0.341 339 HG2 GLN 47 1HG GLN 47 17.424 -7.032 0.109 340 HG3 GLN 47 2HG GLN 47 17.454 -5.524 1.021 341 HE21 GLN 47 1HE2 GLN 47 18.076 -8.759 1.156 342 HE22 GLN 47 2HE2 GLN 47 18.064 -8.979 2.869 343 H ASN 48 H ASN 48 12.487 -6.091 1.322 344 HA ASN 48 HA ASN 48 11.608 -4.587 -0.868 345 HB2 ASN 48 1HB ASN 48 9.720 -5.529 1.270 346 HB3 ASN 48 2HB ASN 48 9.486 -5.491 -0.475 347 HD21 ASN 48 1HD2 ASN 48 9.199 -7.671 1.484 348 HD22 ASN 48 2HD2 ASN 48 10.211 -8.947 0.905 349 H LEU 49 H LEU 49 11.379 -3.977 2.604 350 HA LEU 49 HA LEU 49 9.869 -1.550 2.248 351 HB2 LEU 49 1HB LEU 49 11.049 -3.007 4.568 352 HB3 LEU 49 2HB LEU 49 10.573 -1.322 4.760 353 HG LEU 49 HG LEU 49 8.648 -3.389 3.742 354 HD11 LEU 49 1HD1 LEU 49 9.749 -3.939 6.021 355 HD12 LEU 49 2HD1 LEU 49 7.992 -3.991 5.874 356 HD13 LEU 49 3HD1 LEU 49 8.773 -2.599 6.622 357 HD21 LEU 49 1HD2 LEU 49 6.993 -1.836 4.305 358 HD22 LEU 49 2HD2 LEU 49 8.271 -0.863 3.577 359 HD23 LEU 49 3HD2 LEU 49 8.086 -0.906 5.331 360 H ALA 50 H ALA 50 13.163 -2.331 3.357 361 HA ALA 50 HA ALA 50 14.179 0.161 3.800 362 HB1 ALA 50 1HB ALA 50 16.337 -0.933 2.677 363 HB2 ALA 50 2HB ALA 50 15.745 -1.412 4.268 364 HB3 ALA 50 3HB ALA 50 15.352 -2.385 2.850 365 H LYS 51 H LYS 51 13.910 -1.470 0.658 366 HA LYS 51 HA LYS 51 15.165 0.462 -0.911 367 HB2 LYS 51 1HB LYS 51 13.181 -1.698 -1.408 368 HB3 LYS 51 2HB LYS 51 13.377 -0.479 -2.661 369 HG2 LYS 51 1HG LYS 51 15.919 -1.002 -2.356 370 HG3 LYS 51 2HG LYS 51 15.314 -2.513 -1.672 371 HD2 LYS 51 1HD LYS 51 13.827 -2.484 -3.862 372 HD3 LYS 51 2HD LYS 51 15.151 -1.479 -4.458 373 HE2 LYS 51 1HE LYS 51 15.598 -3.773 -5.021 374 HE3 LYS 51 2HE LYS 51 16.740 -3.257 -3.780 375 HZ1 LYS 51 1HZ LYS 51 14.977 -5.423 -3.709 376 HZ2 LYS 51 2HZ LYS 51 14.477 -4.328 -2.522 377 HZ3 LYS 51 3HZ LYS 51 16.061 -4.921 -2.511 378 H ILE 52 H ILE 52 11.657 0.032 -0.407 379 HA ILE 52 HA ILE 52 10.754 2.263 -1.739 380 HB ILE 52 HB ILE 52 9.638 1.083 0.807 381 HG12 ILE 52 1HG1 ILE 52 8.739 0.640 -2.042 382 HG13 ILE 52 2HG1 ILE 52 9.879 -0.421 -1.221 383 HG21 ILE 52 1HG2 ILE 52 7.505 2.123 0.064 384 HG22 ILE 52 2HG2 ILE 52 8.745 3.290 0.519 385 HG23 ILE 52 3HG2 ILE 52 8.408 2.981 -1.184 386 HD11 ILE 52 1HD1 ILE 52 7.484 0.026 0.343 387 HD12 ILE 52 2HD1 ILE 52 7.138 -0.663 -1.244 388 HD13 ILE 52 3HD1 ILE 52 8.253 -1.482 -0.150 389 H THR 53 H THR 53 11.438 2.076 1.759 390 HA THR 53 HA THR 53 11.067 4.797 2.299 391 HB THR 53 HB THR 53 11.158 3.100 4.072 392 HG1 THR 53 1HG THR 53 11.979 5.479 4.247 393 HG21 THR 53 1HG2 THR 53 12.945 1.696 3.207 394 HG22 THR 53 2HG2 THR 53 13.346 2.248 4.834 395 HG23 THR 53 3HG2 THR 53 14.108 3.002 3.434 396 H GLN 54 H GLN 54 13.869 3.024 1.151 397 HA GLN 54 HA GLN 54 15.856 4.926 1.599 398 HB2 GLN 54 1HB GLN 54 16.288 2.610 0.856 399 HB3 GLN 54 2HB GLN 54 15.629 3.006 -0.726 400 HG2 GLN 54 1HG GLN 54 17.415 4.691 -1.005 401 HG3 GLN 54 2HG GLN 54 18.099 4.172 0.534 402 HE21 GLN 54 1HE2 GLN 54 17.342 3.156 -2.737 403 HE22 GLN 54 2HE2 GLN 54 18.506 1.882 -2.812 404 H GLN 55 H GLN 55 13.642 4.550 -1.140 405 HA GLN 55 HA GLN 55 14.740 6.743 -2.607 406 HB2 GLN 55 1HB GLN 55 13.551 4.881 -3.703 407 HB3 GLN 55 2HB GLN 55 12.062 5.370 -2.903 408 HG2 GLN 55 1HG GLN 55 11.799 7.231 -4.224 409 HG3 GLN 55 2HG GLN 55 13.518 7.336 -4.601 410 HE21 GLN 55 1HE2 GLN 55 12.502 7.639 -6.779 411 HE22 GLN 55 2HE2 GLN 55 12.230 6.219 -7.725 412 H MET 56 H MET 56 12.221 6.358 -0.224 413 HA MET 56 HA MET 56 11.846 9.271 -0.232 414 HB2 MET 56 1HB MET 56 9.676 7.174 -0.142 415 HB3 MET 56 2HB MET 56 9.413 8.854 0.310 416 HG2 MET 56 1HG MET 56 9.663 9.616 -1.854 417 HG3 MET 56 2HG MET 56 10.566 8.190 -2.361 418 HE1 MET 56 1HE MET 56 8.864 5.516 -2.439 419 HE2 MET 56 2HE MET 56 8.223 6.045 -3.994 420 HE3 MET 56 3HE MET 56 9.859 6.498 -3.514 421 HA PRO 57 HA PRO 57 12.930 7.772 3.991 422 HB2 PRO 57 1HB PRO 57 14.509 9.904 4.573 423 HB3 PRO 57 2HB PRO 57 15.098 8.481 3.706 424 HG2 PRO 57 1HG PRO 57 14.227 11.133 2.625 425 HG3 PRO 57 2HG PRO 57 15.624 10.141 2.165 426 HD2 PRO 57 1HD PRO 57 13.339 10.199 0.714 427 HD3 PRO 57 2HD PRO 57 14.358 8.751 0.832 428 H LYS 58 H LYS 58 11.490 10.614 2.673 429 HA LYS 58 HA LYS 58 10.868 11.912 5.136 430 HB2 LYS 58 1HB LYS 58 9.803 12.191 2.330 431 HB3 LYS 58 2HB LYS 58 9.181 13.147 3.669 432 HG2 LYS 58 1HG LYS 58 11.626 13.830 4.051 433 HG3 LYS 58 2HG LYS 58 11.902 13.204 2.423 434 HD2 LYS 58 1HD LYS 58 10.631 14.846 1.433 435 HD3 LYS 58 2HD LYS 58 9.652 15.109 2.878 436 HE2 LYS 58 1HE LYS 58 11.665 16.107 3.965 437 HE3 LYS 58 2HE LYS 58 12.503 15.978 2.420 438 HZ1 LYS 58 1HZ LYS 58 11.711 18.100 2.307 439 HZ2 LYS 58 2HZ LYS 58 10.316 17.767 3.204 440 HZ3 LYS 58 3HZ LYS 58 10.417 17.283 1.586 441 H VAL 59 H VAL 59 9.421 9.365 3.286 442 HA VAL 59 HA VAL 59 6.899 9.527 4.734 443 HB VAL 59 HB VAL 59 7.789 7.497 2.680 444 HG11 VAL 59 1HG1 VAL 59 5.325 7.885 4.263 445 HG12 VAL 59 2HG1 VAL 59 5.109 7.497 2.555 446 HG13 VAL 59 3HG1 VAL 59 6.029 6.411 3.598 447 HG21 VAL 59 1HG2 VAL 59 6.551 8.754 1.058 448 HG22 VAL 59 2HG2 VAL 59 5.990 9.886 2.289 449 HG23 VAL 59 3HG2 VAL 59 7.696 9.844 1.841 450 H HIS 60 H HIS 60 6.527 8.464 6.558 451 HA HIS 60 HA HIS 60 8.416 6.388 7.395 452 HB2 HIS 60 1HB HIS 60 6.615 8.283 8.828 453 HB3 HIS 60 2HB HIS 60 6.975 6.744 9.605 454 HD1 HIS 60 1HD HIS 60 9.841 6.306 9.311 455 HD2 HIS 60 2HD HIS 60 8.309 10.138 9.789 456 HE1 HIS 60 1HE HIS 60 11.754 7.692 10.174 457 H ILE 61 H ILE 61 7.845 4.379 6.897 458 HA ILE 61 HA ILE 61 5.054 3.662 6.569 459 HB ILE 61 HB ILE 61 7.505 1.919 6.298 460 HG12 ILE 61 1HG1 ILE 61 5.925 3.058 4.011 461 HG13 ILE 61 2HG1 ILE 61 7.216 3.996 4.755 462 HG21 ILE 61 1HG2 ILE 61 6.023 0.263 6.198 463 HG22 ILE 61 2HG2 ILE 61 4.667 1.389 6.186 464 HG23 ILE 61 3HG2 ILE 61 5.467 0.958 4.675 465 HD11 ILE 61 1HD1 ILE 61 8.818 2.268 4.217 466 HD12 ILE 61 2HD1 ILE 61 7.537 1.262 3.542 467 HD13 ILE 61 3HD1 ILE 61 7.962 2.787 2.765 468 H GLU 62 H GLU 62 3.836 2.599 8.004 469 HA GLU 62 HA GLU 62 5.173 1.432 10.357 470 HB2 GLU 62 1HB GLU 62 3.758 3.621 10.608 471 HB3 GLU 62 2HB GLU 62 2.388 2.526 10.501 472 HG2 GLU 62 1HG GLU 62 2.998 1.396 12.467 473 HG3 GLU 62 2HG GLU 62 4.611 2.109 12.470 474 H PHE 63 H PHE 63 4.205 -0.418 11.287 475 HA PHE 63 HA PHE 63 2.158 -1.745 9.649 476 HB2 PHE 63 1HB PHE 63 4.899 -2.701 10.304 477 HB3 PHE 63 2HB PHE 63 3.600 -3.890 10.341 478 HD1 PHE 63 2HD PHE 63 1.950 -3.629 8.207 479 HD2 PHE 63 1HD PHE 63 6.066 -2.555 8.348 480 HE1 PHE 63 2HE PHE 63 2.090 -3.857 5.761 481 HE2 PHE 63 1HE PHE 63 6.212 -2.781 5.902 482 HZ PHE 63 HZ PHE 63 4.222 -3.433 4.606 483 H THR 64 H THR 64 0.470 -2.159 10.896 484 HA THR 64 HA THR 64 0.943 -2.890 13.714 485 HB THR 64 HB THR 64 -1.623 -1.654 12.750 486 HG1 THR 64 1HG THR 64 -0.783 0.327 12.976 487 HG21 THR 64 1HG2 THR 64 -2.056 -2.349 14.872 488 HG22 THR 64 2HG2 THR 64 -1.284 -0.814 15.272 489 HG23 THR 64 3HG2 THR 64 -0.358 -2.313 15.347 490 H GLU 65 H GLU 65 0.261 -4.839 14.319 491 HA GLU 65 HA GLU 65 -0.929 -6.634 12.482 492 HB2 GLU 65 1HB GLU 65 0.541 -7.442 14.233 493 HB3 GLU 65 2HB GLU 65 -0.548 -6.835 15.473 494 HG2 GLU 65 1HG GLU 65 -2.233 -8.433 14.844 495 HG3 GLU 65 2HG GLU 65 -1.250 -8.985 13.488 496 H GLY 66 H GLY 66 -2.244 -5.847 15.694 497 HA2 GLY 66 1HA GLY 66 -4.800 -6.659 15.408 498 HA3 GLY 66 2HA GLY 66 -4.384 -5.208 16.310 499 H GLU 67 H GLU 67 -3.868 -3.288 14.689 500 HA GLU 67 HA GLU 67 -6.307 -2.586 13.505 501 HB2 GLU 67 1HB GLU 67 -3.603 -1.394 12.878 502 HB3 GLU 67 2HB GLU 67 -5.171 -0.624 12.671 503 HG2 GLU 67 1HG GLU 67 -5.441 -0.251 14.922 504 HG3 GLU 67 2HG GLU 67 -4.341 -1.549 15.378 505 H ASP 68 H ASP 68 -3.646 -4.394 12.294 506 HA ASP 68 HA ASP 68 -3.108 -5.220 10.231 507 HB2 ASP 68 1HB ASP 68 -5.069 -6.156 8.989 508 HB3 ASP 68 2HB ASP 68 -5.019 -6.609 10.690 509 H LYS 69 H LYS 69 -2.780 -2.565 10.141 510 HA LYS 69 HA LYS 69 -3.467 -1.952 7.386 511 HB2 LYS 69 1HB LYS 69 -4.528 0.107 7.786 512 HB3 LYS 69 2HB LYS 69 -5.275 -1.003 8.929 513 HG2 LYS 69 1HG LYS 69 -4.017 -0.113 10.739 514 HG3 LYS 69 2HG LYS 69 -3.000 0.829 9.647 515 HD2 LYS 69 1HD LYS 69 -4.648 2.390 9.244 516 HD3 LYS 69 2HD LYS 69 -5.952 1.265 9.630 517 HE2 LYS 69 1HE LYS 69 -5.129 1.340 12.021 518 HE3 LYS 69 2HE LYS 69 -4.104 2.689 11.532 519 HZ1 LYS 69 1HZ LYS 69 -6.043 3.650 12.383 520 HZ2 LYS 69 2HZ LYS 69 -7.060 2.562 11.580 521 HZ3 LYS 69 3HZ LYS 69 -6.230 3.748 10.705 522 H ILE 70 H ILE 70 -2.209 -0.178 6.510 523 HA ILE 70 HA ILE 70 0.339 0.142 7.945 524 HB ILE 70 HB ILE 70 -0.202 0.466 4.990 525 HG12 ILE 70 1HG1 ILE 70 1.365 -1.742 6.317 526 HG13 ILE 70 2HG1 ILE 70 -0.359 -1.886 5.996 527 HG21 ILE 70 1HG2 ILE 70 2.546 0.050 5.831 528 HG22 ILE 70 2HG2 ILE 70 1.865 1.270 4.757 529 HG23 ILE 70 3HG2 ILE 70 1.849 1.523 6.502 530 HD11 ILE 70 1HD1 ILE 70 0.856 -2.956 4.240 531 HD12 ILE 70 2HD1 ILE 70 0.113 -1.491 3.597 532 HD13 ILE 70 3HD1 ILE 70 1.835 -1.514 3.975 533 H THR 71 H THR 71 0.745 2.060 8.800 534 HA THR 71 HA THR 71 -0.805 4.381 7.935 535 HB THR 71 HB THR 71 1.062 4.083 10.298 536 HG1 THR 71 1HG THR 71 -1.784 4.182 10.272 537 HG21 THR 71 1HG2 THR 71 -0.564 6.338 9.232 538 HG22 THR 71 2HG2 THR 71 1.010 6.358 10.029 539 HG23 THR 71 3HG2 THR 71 -0.459 6.140 10.981 540 H LEU 72 H LEU 72 0.061 6.179 7.018 541 HA LEU 72 HA LEU 72 2.960 6.150 6.489 542 HB2 LEU 72 1HB LEU 72 0.680 6.902 4.681 543 HB3 LEU 72 2HB LEU 72 2.340 7.398 4.365 544 HG LEU 72 HG LEU 72 1.737 5.460 3.027 545 HD11 LEU 72 1HD1 LEU 72 3.501 3.956 4.664 546 HD12 LEU 72 2HD1 LEU 72 3.963 5.655 4.769 547 HD13 LEU 72 3HD1 LEU 72 3.861 4.864 3.196 548 HD21 LEU 72 1HD2 LEU 72 1.618 3.625 5.325 549 HD22 LEU 72 2HD2 LEU 72 0.726 3.603 3.804 550 HD23 LEU 72 3HD2 LEU 72 0.214 4.670 5.112 551 H GLU 73 H GLU 73 4.072 7.997 6.850 552 HA GLU 73 HA GLU 73 2.537 10.418 7.514 553 HB2 GLU 73 1HB GLU 73 3.226 9.441 9.612 554 HB3 GLU 73 2HB GLU 73 4.875 9.258 9.034 555 HG2 GLU 73 1HG GLU 73 5.289 11.557 9.136 556 HG3 GLU 73 2HG GLU 73 3.574 11.948 9.242 557 H GLY 74 H GLY 74 3.213 12.218 6.526 558 HA2 GLY 74 1HA GLY 74 5.577 13.307 6.052 559 HA3 GLY 74 2HA GLY 74 5.590 12.036 4.837 560 HA PRO 75 HA PRO 75 3.678 15.878 3.025 561 HB2 PRO 75 1HB PRO 75 5.250 15.922 0.811 562 HB3 PRO 75 2HB PRO 75 5.710 16.698 2.331 563 HG2 PRO 75 1HG PRO 75 6.551 14.045 1.229 564 HG3 PRO 75 2HG PRO 75 7.533 15.286 2.029 565 HD2 PRO 75 1HD PRO 75 6.651 13.073 3.315 566 HD3 PRO 75 2HD PRO 75 6.869 14.631 4.137 567 H THR 76 H THR 76 1.881 15.598 1.874 568 HA THR 76 HA THR 76 0.853 13.308 0.891 569 HB THR 76 HB THR 76 -0.426 15.398 0.978 570 HG1 THR 76 1HG THR 76 -0.356 13.804 -1.324 571 HG21 THR 76 1HG2 THR 76 0.866 16.190 -1.621 572 HG22 THR 76 2HG2 THR 76 1.464 16.764 -0.064 573 HG23 THR 76 3HG2 THR 76 -0.179 17.152 -0.576 574 H GLU 77 H GLU 77 2.913 15.547 -0.936 575 HA GLU 77 HA GLU 77 2.843 14.410 -3.430 576 HB2 GLU 77 1HB GLU 77 4.753 15.604 -3.915 577 HB3 GLU 77 2HB GLU 77 4.195 16.448 -2.478 578 HG2 GLU 77 1HG GLU 77 5.757 15.149 -1.114 579 HG3 GLU 77 2HG GLU 77 6.326 14.324 -2.564 580 H ASP 78 H ASP 78 4.884 13.444 -0.694 581 HA ASP 78 HA ASP 78 6.026 11.238 -2.163 582 HB2 ASP 78 1HB ASP 78 6.260 12.130 0.714 583 HB3 ASP 78 2HB ASP 78 7.063 10.694 0.083 584 H VAL 79 H VAL 79 3.781 11.627 0.563 585 HA VAL 79 HA VAL 79 3.300 9.014 1.230 586 HB VAL 79 HB VAL 79 1.262 11.238 1.053 587 HG11 VAL 79 1HG1 VAL 79 0.995 8.449 1.762 588 HG12 VAL 79 2HG1 VAL 79 0.557 9.503 3.107 589 HG13 VAL 79 3HG1 VAL 79 -0.249 9.679 1.548 590 HG21 VAL 79 1HG2 VAL 79 1.709 11.414 3.504 591 HG22 VAL 79 2HG2 VAL 79 3.060 10.302 3.285 592 HG23 VAL 79 3HG2 VAL 79 3.072 11.872 2.484 593 H SER 80 H SER 80 1.895 10.844 -1.452 594 HA SER 80 HA SER 80 0.078 8.854 -2.294 595 HB2 SER 80 1HB SER 80 -0.336 11.021 -3.121 596 HB3 SER 80 2HB SER 80 1.329 11.226 -3.663 597 HG SER 80 HG SER 80 -0.194 10.774 -5.368 598 H VAL 81 H VAL 81 3.481 9.293 -2.776 599 HA VAL 81 HA VAL 81 3.630 7.409 -4.973 600 HB VAL 81 HB VAL 81 5.857 8.694 -3.387 601 HG11 VAL 81 1HG1 VAL 81 6.174 7.591 -6.139 602 HG12 VAL 81 2HG1 VAL 81 7.376 7.801 -4.864 603 HG13 VAL 81 3HG1 VAL 81 6.201 6.490 -4.763 604 HG21 VAL 81 1HG2 VAL 81 5.685 9.664 -6.048 605 HG22 VAL 81 2HG2 VAL 81 4.085 9.792 -5.319 606 HG23 VAL 81 3HG2 VAL 81 5.471 10.552 -4.539 607 H ALA 82 H ALA 82 4.536 7.524 -1.549 608 HA ALA 82 HA ALA 82 5.658 4.913 -1.480 609 HB1 ALA 82 1HB ALA 82 5.041 5.328 1.092 610 HB2 ALA 82 2HB ALA 82 6.439 6.061 0.305 611 HB3 ALA 82 3HB ALA 82 4.951 6.987 0.501 612 H GLN 83 H GLN 83 2.481 6.220 -0.584 613 HA GLN 83 HA GLN 83 1.389 3.824 0.394 614 HB2 GLN 83 1HB GLN 83 -0.664 4.928 0.437 615 HB3 GLN 83 2HB GLN 83 0.496 6.243 0.575 616 HG2 GLN 83 1HG GLN 83 0.202 6.857 -1.695 617 HG3 GLN 83 2HG GLN 83 -0.726 5.396 -2.035 618 HE21 GLN 83 1HE2 GLN 83 -2.862 5.273 -1.402 619 HE22 GLN 83 2HE2 GLN 83 -3.762 6.655 -0.888 620 H GLU 84 H GLU 84 1.514 5.201 -2.851 621 HA GLU 84 HA GLU 84 -0.208 3.324 -4.078 622 HB2 GLU 84 1HB GLU 84 0.502 5.546 -5.032 623 HB3 GLU 84 2HB GLU 84 2.060 4.817 -5.397 624 HG2 GLU 84 1HG GLU 84 1.088 3.302 -6.940 625 HG3 GLU 84 2HG GLU 84 -0.544 3.730 -6.429 626 H GLN 85 H GLN 85 3.326 3.467 -3.768 627 HA GLN 85 HA GLN 85 4.003 1.243 -5.267 628 HB2 GLN 85 1HB GLN 85 5.245 2.658 -2.961 629 HB3 GLN 85 2HB GLN 85 5.891 1.082 -3.398 630 HG2 GLN 85 1HG GLN 85 6.060 2.009 -5.771 631 HG3 GLN 85 2HG GLN 85 5.817 3.590 -5.031 632 HE21 GLN 85 1HE2 GLN 85 7.336 4.215 -3.339 633 HE22 GLN 85 2HE2 GLN 85 8.974 3.679 -3.450 634 H ILE 86 H ILE 86 3.224 1.390 -1.800 635 HA ILE 86 HA ILE 86 3.528 -1.351 -1.275 636 HB ILE 86 HB ILE 86 1.744 0.658 0.104 637 HG12 ILE 86 1HG1 ILE 86 4.480 -0.362 0.890 638 HG13 ILE 86 2HG1 ILE 86 4.199 1.164 0.060 639 HG21 ILE 86 1HG2 ILE 86 1.733 -0.889 1.987 640 HG22 ILE 86 2HG2 ILE 86 1.042 -1.642 0.550 641 HG23 ILE 86 3HG2 ILE 86 2.683 -2.046 1.054 642 HD11 ILE 86 1HD1 ILE 86 2.792 1.872 1.981 643 HD12 ILE 86 2HD1 ILE 86 3.278 0.395 2.815 644 HD13 ILE 86 3HD1 ILE 86 4.489 1.603 2.383 645 H GLU 87 H GLU 87 0.756 0.529 -2.386 646 HA GLU 87 HA GLU 87 -1.199 -1.469 -2.134 647 HB2 GLU 87 1HB GLU 87 -0.939 0.985 -3.839 648 HB3 GLU 87 2HB GLU 87 -2.283 -0.122 -4.088 649 HG2 GLU 87 1HG GLU 87 -2.540 0.166 -1.476 650 HG3 GLU 87 2HG GLU 87 -1.706 1.683 -1.807 651 H GLY 88 H GLY 88 1.352 -1.034 -4.419 652 HA2 GLY 88 1HA GLY 88 0.202 -2.659 -6.491 653 HA3 GLY 88 2HA GLY 88 1.867 -2.103 -6.404 654 H MET 89 H MET 89 2.630 -3.186 -3.957 655 HA MET 89 HA MET 89 3.126 -5.894 -4.735 656 HB2 MET 89 1HB MET 89 4.504 -6.027 -2.763 657 HB3 MET 89 2HB MET 89 4.786 -4.476 -3.541 658 HG2 MET 89 1HG MET 89 3.563 -3.314 -1.903 659 HG3 MET 89 2HG MET 89 2.863 -4.799 -1.264 660 HE1 MET 89 1HE MET 89 5.438 -2.218 -1.173 661 HE2 MET 89 2HE MET 89 4.721 -2.314 0.435 662 HE3 MET 89 3HE MET 89 6.440 -2.644 0.214 663 H VAL 90 H VAL 90 0.748 -4.320 -2.836 664 HA VAL 90 HA VAL 90 0.070 -6.574 -1.190 665 HB VAL 90 HB VAL 90 -1.350 -3.976 -1.760 666 HG11 VAL 90 1HG1 VAL 90 -3.222 -5.091 -1.195 667 HG12 VAL 90 2HG1 VAL 90 -2.331 -6.427 -0.465 668 HG13 VAL 90 3HG1 VAL 90 -2.590 -4.938 0.444 669 HG21 VAL 90 1HG2 VAL 90 -0.132 -3.171 -0.086 670 HG22 VAL 90 2HG2 VAL 90 -0.693 -4.457 0.983 671 HG23 VAL 90 3HG2 VAL 90 0.740 -4.702 -0.015 672 H LYS 91 H LYS 91 -1.385 -5.015 -4.037 673 HA LYS 91 HA LYS 91 -3.489 -6.918 -4.284 674 HB2 LYS 91 1HB LYS 91 -3.767 -4.709 -5.213 675 HB3 LYS 91 2HB LYS 91 -2.350 -4.914 -6.236 676 HG2 LYS 91 1HG LYS 91 -3.968 -5.334 -7.767 677 HG3 LYS 91 2HG LYS 91 -3.752 -6.969 -7.139 678 HD2 LYS 91 1HD LYS 91 -5.805 -5.035 -6.077 679 HD3 LYS 91 2HD LYS 91 -6.139 -6.206 -7.355 680 HE2 LYS 91 1HE LYS 91 -5.173 -7.923 -5.650 681 HE3 LYS 91 2HE LYS 91 -5.532 -6.669 -4.463 682 HZ1 LYS 91 1HZ LYS 91 -7.442 -8.030 -6.277 683 HZ2 LYS 91 2HZ LYS 91 -7.840 -6.660 -5.371 684 HZ3 LYS 91 3HZ LYS 91 -7.403 -8.094 -4.588 685 H ASP 92 H ASP 92 -0.215 -6.729 -5.453 686 HA ASP 92 HA ASP 92 -0.533 -8.808 -7.419 687 HB2 ASP 92 1HB ASP 92 1.187 -6.913 -7.476 688 HB3 ASP 92 2HB ASP 92 2.081 -7.838 -6.272 689 H LEU 93 H LEU 93 0.698 -8.558 -4.122 690 HA LEU 93 HA LEU 93 1.750 -11.170 -3.943 691 HB2 LEU 93 1HB LEU 93 0.956 -9.055 -2.014 692 HB3 LEU 93 2HB LEU 93 1.182 -10.691 -1.397 693 HG LEU 93 HG LEU 93 3.283 -9.138 -2.905 694 HD11 LEU 93 1HD1 LEU 93 3.581 -7.977 -1.035 695 HD12 LEU 93 2HD1 LEU 93 4.099 -9.482 -0.274 696 HD13 LEU 93 3HD1 LEU 93 2.416 -8.966 -0.153 697 HD21 LEU 93 1HD2 LEU 93 4.544 -10.973 -2.824 698 HD22 LEU 93 2HD2 LEU 93 3.064 -11.850 -2.434 699 HD23 LEU 93 3HD2 LEU 93 4.121 -11.285 -1.140 700 H ILE 94 H ILE 94 -1.459 -9.849 -3.417 701 HA ILE 94 HA ILE 94 -2.519 -12.267 -2.287 702 HB ILE 94 HB ILE 94 -3.869 -9.782 -3.335 703 HG12 ILE 94 1HG1 ILE 94 -3.629 -10.815 -0.506 704 HG13 ILE 94 2HG1 ILE 94 -2.506 -9.658 -1.213 705 HG21 ILE 94 1HG2 ILE 94 -5.633 -11.205 -1.682 706 HG22 ILE 94 2HG2 ILE 94 -5.776 -10.914 -3.415 707 HG23 ILE 94 3HG2 ILE 94 -4.982 -12.375 -2.829 708 HD11 ILE 94 1HD1 ILE 94 -4.325 -8.078 -1.535 709 HD12 ILE 94 2HD1 ILE 94 -5.464 -9.241 -0.855 710 HD13 ILE 94 3HD1 ILE 94 -4.190 -8.561 0.156 711 H ASN 95 H ASN 95 -2.516 -10.727 -5.462 712 HA ASN 95 HA ASN 95 -4.315 -12.511 -6.710 713 HB2 ASN 95 1HB ASN 95 -2.325 -10.496 -7.626 714 HB3 ASN 95 2HB ASN 95 -2.865 -11.691 -8.803 715 HD21 ASN 95 1HD2 ASN 95 -4.241 -9.578 -6.304 716 HD22 ASN 95 2HD2 ASN 95 -5.596 -9.066 -7.246 717 H ARG 96 H ARG 96 -0.825 -12.561 -6.246 718 HA ARG 96 HA ARG 96 -0.501 -14.951 -7.848 719 HB2 ARG 96 1HB ARG 96 1.866 -14.799 -7.195 720 HB3 ARG 96 2HB ARG 96 1.271 -13.278 -7.847 721 HG2 ARG 96 1HG ARG 96 2.384 -12.471 -6.052 722 HG3 ARG 96 2HG ARG 96 0.832 -12.792 -5.274 723 HD2 ARG 96 1HD ARG 96 2.611 -13.654 -3.895 724 HD3 ARG 96 2HD ARG 96 1.685 -14.998 -4.564 725 HE ARG 96 HE ARG 96 3.716 -14.694 -6.330 726 HH11 ARG 96 1HH1 ARG 96 3.570 -15.081 -2.873 727 HH12 ARG 96 2HH1 ARG 96 5.097 -15.892 -2.768 728 HH21 ARG 96 1HH2 ARG 96 5.729 -15.761 -6.204 729 HH22 ARG 96 2HH2 ARG 96 6.325 -16.278 -4.664 730 H SER 97 H SER 97 -1.238 -14.180 -4.610 731 HA SER 97 HA SER 97 -0.147 -16.543 -3.405 732 HB2 SER 97 1HB SER 97 -1.867 -14.277 -2.509 733 HB3 SER 97 2HB SER 97 -1.913 -15.766 -1.566 734 HG SER 97 HG SER 97 -0.286 -14.544 -0.719 735 H GLY 98 H GLY 98 -0.926 -18.347 -4.446 736 HA2 GLY 98 1HA GLY 98 -3.007 -19.767 -3.613 737 HA3 GLY 98 2HA GLY 98 -3.808 -18.686 -4.744 738 HA PRO 99 HA PRO 99 -1.701 -22.468 -6.811 739 HB2 PRO 99 1HB PRO 99 -3.806 -24.178 -6.927 740 HB3 PRO 99 2HB PRO 99 -2.649 -24.169 -5.590 741 HG2 PRO 99 1HG PRO 99 -5.373 -22.937 -5.745 742 HG3 PRO 99 2HG PRO 99 -4.628 -23.843 -4.414 743 HD2 PRO 99 1HD PRO 99 -4.768 -21.138 -4.439 744 HD3 PRO 99 2HD PRO 99 -3.425 -22.018 -3.681 745 H SER 100 H SER 100 -4.873 -20.976 -7.080 746 HA SER 100 HA SER 100 -5.726 -21.684 -9.563 747 HB2 SER 100 1HB SER 100 -5.761 -18.901 -8.369 748 HB3 SER 100 2HB SER 100 -6.739 -19.420 -9.741 749 HG SER 100 HG SER 100 -7.962 -19.612 -7.878 750 H SER 101 H SER 101 -5.390 -21.010 -11.681 751 HA SER 101 HA SER 101 -3.149 -19.224 -12.233 752 HB2 SER 101 1HB SER 101 -3.283 -22.110 -13.116 753 HB3 SER 101 2HB SER 101 -2.250 -20.917 -13.903 754 HG SER 101 HG SER 101 -0.912 -21.033 -12.286 755 H GLY 102 H GLY 102 -3.513 -17.962 -13.957 756 HA2 GLY 102 1HA GLY 102 -4.475 -18.320 -16.384 757 HA3 GLY 102 2HA GLY 102 -5.972 -18.427 -15.471 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -66.132 17.722 3.026 2 HA2 GLY 1 1HA GLY 1 -66.313 18.270 0.246 3 HA3 GLY 1 2HA GLY 1 -65.807 19.711 1.117 4 H SER 2 H SER 2 -64.007 19.045 -0.572 5 HA SER 2 HA SER 2 -61.850 17.945 1.034 6 HB2 SER 2 1HB SER 2 -62.654 16.759 -1.631 7 HB3 SER 2 2HB SER 2 -61.115 16.439 -0.833 8 HG SER 2 HG SER 2 -63.704 15.858 0.178 9 H SER 3 H SER 3 -59.719 18.138 -0.194 10 HA SER 3 HA SER 3 -59.507 19.933 -2.378 11 HB2 SER 3 1HB SER 3 -59.299 21.057 0.393 12 HB3 SER 3 2HB SER 3 -58.279 21.714 -0.885 13 HG SER 3 HG SER 3 -60.067 22.349 -1.994 14 H GLY 4 H GLY 4 -57.114 20.832 -2.438 15 HA2 GLY 4 1HA GLY 4 -55.149 19.233 -1.090 16 HA3 GLY 4 2HA GLY 4 -55.385 18.734 -2.759 17 H SER 5 H SER 5 -52.989 19.394 -2.589 18 HA SER 5 HA SER 5 -52.647 21.778 -4.068 19 HB2 SER 5 1HB SER 5 -52.993 22.664 -1.698 20 HB3 SER 5 2HB SER 5 -51.440 21.926 -1.305 21 HG SER 5 HG SER 5 -51.317 24.165 -1.948 22 H SER 6 H SER 6 -50.129 22.361 -4.016 23 HA SER 6 HA SER 6 -48.370 20.153 -3.547 24 HB2 SER 6 1HB SER 6 -49.549 19.449 -5.647 25 HB3 SER 6 2HB SER 6 -48.891 20.882 -6.437 26 HG SER 6 HG SER 6 -47.715 18.713 -6.513 27 H GLY 7 H GLY 7 -46.158 20.638 -4.649 28 HA2 GLY 7 1HA GLY 7 -45.639 23.438 -5.152 29 HA3 GLY 7 2HA GLY 7 -45.016 22.858 -3.614 30 H GLU 8 H GLU 8 -44.070 23.561 -6.604 31 HA GLU 8 HA GLU 8 -42.295 21.260 -6.955 32 HB2 GLU 8 1HB GLU 8 -43.149 23.534 -8.711 33 HB3 GLU 8 2HB GLU 8 -41.665 22.663 -9.072 34 HG2 GLU 8 1HG GLU 8 -42.891 20.584 -9.249 35 HG3 GLU 8 2HG GLU 8 -44.386 21.407 -8.809 36 HA PRO 9 HA PRO 9 -39.027 23.483 -4.935 37 HB2 PRO 9 1HB PRO 9 -37.058 21.698 -5.487 38 HB3 PRO 9 2HB PRO 9 -38.279 21.426 -4.238 39 HG2 PRO 9 1HG PRO 9 -38.167 20.373 -7.040 40 HG3 PRO 9 2HG PRO 9 -38.602 19.527 -5.543 41 HD2 PRO 9 1HD PRO 9 -40.457 20.448 -7.288 42 HD3 PRO 9 2HD PRO 9 -40.746 20.376 -5.538 43 H GLU 10 H GLU 10 -36.740 24.157 -5.522 44 HA GLU 10 HA GLU 10 -36.170 24.365 -8.352 45 HB2 GLU 10 1HB GLU 10 -36.951 26.747 -6.683 46 HB3 GLU 10 2HB GLU 10 -35.947 26.911 -8.117 47 HG2 GLU 10 1HG GLU 10 -38.729 25.767 -8.030 48 HG3 GLU 10 2HG GLU 10 -38.279 27.368 -8.612 49 H LYS 11 H LYS 11 -34.033 24.451 -8.721 50 HA LYS 11 HA LYS 11 -32.224 25.472 -6.685 51 HB2 LYS 11 1HB LYS 11 -32.216 22.608 -7.633 52 HB3 LYS 11 2HB LYS 11 -30.819 23.366 -6.878 53 HG2 LYS 11 1HG LYS 11 -33.529 23.119 -5.592 54 HG3 LYS 11 2HG LYS 11 -32.179 22.014 -5.320 55 HD2 LYS 11 1HD LYS 11 -30.831 23.894 -4.486 56 HD3 LYS 11 2HD LYS 11 -32.205 24.975 -4.729 57 HE2 LYS 11 1HE LYS 11 -33.515 23.627 -3.139 58 HE3 LYS 11 2HE LYS 11 -32.111 22.594 -2.877 59 HZ1 LYS 11 1HZ LYS 11 -30.907 24.482 -2.005 60 HZ2 LYS 11 2HZ LYS 11 -32.350 24.278 -1.146 61 HZ3 LYS 11 3HZ LYS 11 -32.221 25.507 -2.301 62 H LEU 12 H LEU 12 -30.474 26.431 -7.551 63 HA LEU 12 HA LEU 12 -29.623 25.738 -10.253 64 HB2 LEU 12 1HB LEU 12 -30.239 28.584 -9.485 65 HB3 LEU 12 2HB LEU 12 -29.703 27.995 -11.057 66 HG LEU 12 HG LEU 12 -32.350 27.257 -9.822 67 HD11 LEU 12 1HD1 LEU 12 -32.251 29.673 -10.150 68 HD12 LEU 12 2HD1 LEU 12 -33.348 28.916 -11.303 69 HD13 LEU 12 3HD1 LEU 12 -31.743 29.431 -11.822 70 HD21 LEU 12 1HD2 LEU 12 -30.924 26.217 -11.988 71 HD22 LEU 12 2HD2 LEU 12 -32.175 27.238 -12.695 72 HD23 LEU 12 3HD2 LEU 12 -32.618 25.937 -11.589 73 H GLY 13 H GLY 13 -27.603 27.039 -10.847 74 HA2 GLY 13 1HA GLY 13 -25.812 28.431 -9.727 75 HA3 GLY 13 2HA GLY 13 -25.922 27.251 -8.429 76 H GLN 14 H GLN 14 -25.204 27.570 -11.887 77 HA GLN 14 HA GLN 14 -23.528 25.162 -11.697 78 HB2 GLN 14 1HB GLN 14 -24.995 26.474 -13.947 79 HB3 GLN 14 2HB GLN 14 -23.566 25.515 -14.306 80 HG2 GLN 14 1HG GLN 14 -25.983 24.527 -12.809 81 HG3 GLN 14 2HG GLN 14 -25.654 24.240 -14.517 82 HE21 GLN 14 1HE2 GLN 14 -25.445 22.939 -11.513 83 HE22 GLN 14 2HE2 GLN 14 -24.198 21.775 -11.784 84 H ALA 15 H ALA 15 -21.437 25.516 -11.416 85 HA ALA 15 HA ALA 15 -20.052 27.480 -13.028 86 HB1 ALA 15 1HB ALA 15 -19.834 29.076 -11.508 87 HB2 ALA 15 2HB ALA 15 -20.848 28.153 -10.398 88 HB3 ALA 15 3HB ALA 15 -19.099 27.930 -10.386 89 H LEU 16 H LEU 16 -17.669 27.350 -12.709 90 HA LEU 16 HA LEU 16 -16.739 24.863 -11.493 91 HB2 LEU 16 1HB LEU 16 -16.151 25.597 -14.356 92 HB3 LEU 16 2HB LEU 16 -15.529 24.195 -13.488 93 HG LEU 16 HG LEU 16 -18.459 24.626 -14.042 94 HD11 LEU 16 1HD1 LEU 16 -16.768 24.368 -16.053 95 HD12 LEU 16 2HD1 LEU 16 -18.317 23.524 -16.033 96 HD13 LEU 16 3HD1 LEU 16 -16.841 22.669 -15.584 97 HD21 LEU 16 1HD2 LEU 16 -18.668 22.297 -13.501 98 HD22 LEU 16 2HD2 LEU 16 -17.821 23.107 -12.183 99 HD23 LEU 16 3HD2 LEU 16 -16.920 22.131 -13.342 100 H THR 17 H THR 17 -14.874 25.147 -10.452 101 HA THR 17 HA THR 17 -12.996 27.196 -11.349 102 HB THR 17 HB THR 17 -12.724 27.996 -8.972 103 HG1 THR 17 1HG THR 17 -14.087 27.316 -7.465 104 HG21 THR 17 1HG2 THR 17 -14.870 29.381 -9.042 105 HG22 THR 17 2HG2 THR 17 -15.260 28.488 -10.512 106 HG23 THR 17 3HG2 THR 17 -13.805 29.483 -10.443 107 H GLU 18 H GLU 18 -10.888 26.700 -10.960 108 HA GLU 18 HA GLU 18 -10.354 24.279 -9.367 109 HB2 GLU 18 1HB GLU 18 -9.329 25.067 -12.076 110 HB3 GLU 18 2HB GLU 18 -8.382 24.009 -11.041 111 HG2 GLU 18 1HG GLU 18 -9.588 22.576 -12.432 112 HG3 GLU 18 2HG GLU 18 -10.448 22.547 -10.894 113 H VAL 19 H VAL 19 -9.770 25.492 -7.553 114 HA VAL 19 HA VAL 19 -7.776 27.552 -7.700 115 HB VAL 19 HB VAL 19 -7.845 27.516 -5.236 116 HG11 VAL 19 1HG1 VAL 19 -9.611 28.855 -5.383 117 HG12 VAL 19 2HG1 VAL 19 -9.905 28.223 -7.004 118 HG13 VAL 19 3HG1 VAL 19 -10.690 27.480 -5.611 119 HG21 VAL 19 1HG2 VAL 19 -9.819 26.004 -4.355 120 HG22 VAL 19 2HG2 VAL 19 -9.371 25.012 -5.742 121 HG23 VAL 19 3HG2 VAL 19 -8.176 25.376 -4.497 122 H TYR 20 H TYR 20 -5.879 27.349 -6.053 123 HA TYR 20 HA TYR 20 -4.695 24.685 -6.036 124 HB2 TYR 20 1HB TYR 20 -2.544 25.630 -6.965 125 HB3 TYR 20 2HB TYR 20 -3.860 25.484 -8.124 126 HD1 TYR 20 2HD TYR 20 -5.155 27.549 -8.758 127 HD2 TYR 20 1HD TYR 20 -1.548 27.724 -6.507 128 HE1 TYR 20 2HE TYR 20 -4.918 29.929 -9.333 129 HE2 TYR 20 1HE TYR 20 -1.303 30.104 -7.074 130 HH TYR 20 HH TYR 20 -3.789 31.947 -8.384 131 H ALA 21 H ALA 21 -3.054 24.413 -4.500 132 HA ALA 21 HA ALA 21 -2.300 26.682 -2.840 133 HB1 ALA 21 1HB ALA 21 -3.110 24.481 -1.137 134 HB2 ALA 21 2HB ALA 21 -3.522 26.195 -1.044 135 HB3 ALA 21 3HB ALA 21 -4.457 25.118 -2.083 136 H LYS 22 H LYS 22 -0.293 26.480 -2.009 137 HA LYS 22 HA LYS 22 1.554 24.715 -2.975 138 HB2 LYS 22 1HB LYS 22 3.036 25.431 -1.235 139 HB3 LYS 22 2HB LYS 22 2.027 26.804 -1.674 140 HG2 LYS 22 1HG LYS 22 0.599 26.339 0.282 141 HG3 LYS 22 2HG LYS 22 1.694 25.032 0.738 142 HD2 LYS 22 1HD LYS 22 3.532 26.645 0.924 143 HD3 LYS 22 2HD LYS 22 2.428 27.949 0.476 144 HE2 LYS 22 1HE LYS 22 1.706 26.202 2.775 145 HE3 LYS 22 2HE LYS 22 2.976 27.403 3.002 146 HZ1 LYS 22 1HZ LYS 22 0.821 28.290 3.609 147 HZ2 LYS 22 2HZ LYS 22 0.213 27.959 2.067 148 HZ3 LYS 22 3HZ LYS 22 1.431 29.115 2.264 149 H ALA 23 H ALA 23 2.665 22.897 -2.081 150 HA ALA 23 HA ALA 23 0.877 21.153 -0.553 151 HB1 ALA 23 1HB ALA 23 3.373 20.459 -2.097 152 HB2 ALA 23 2HB ALA 23 2.252 19.317 -1.354 153 HB3 ALA 23 3HB ALA 23 1.721 20.324 -2.702 154 H ASN 24 H ASN 24 2.040 23.111 0.988 155 HA ASN 24 HA ASN 24 4.283 21.814 2.358 156 HB2 ASN 24 1HB ASN 24 4.360 24.270 1.653 157 HB3 ASN 24 2HB ASN 24 3.189 24.564 2.936 158 HD21 ASN 24 1HD2 ASN 24 6.272 22.876 2.449 159 HD22 ASN 24 2HD2 ASN 24 6.982 23.390 3.938 160 H SER 25 H SER 25 3.045 20.178 3.377 161 HA SER 25 HA SER 25 2.128 20.842 5.962 162 HB2 SER 25 1HB SER 25 -0.243 20.253 5.744 163 HB3 SER 25 2HB SER 25 0.147 21.642 4.730 164 HG SER 25 HG SER 25 -0.376 18.980 3.975 165 H PHE 26 H PHE 26 1.769 19.016 7.253 166 HA PHE 26 HA PHE 26 2.965 16.603 6.229 167 HB2 PHE 26 1HB PHE 26 3.157 17.699 8.619 168 HB3 PHE 26 2HB PHE 26 1.706 16.755 8.939 169 HD1 PHE 26 2HD PHE 26 4.954 16.168 7.189 170 HD2 PHE 26 1HD PHE 26 2.112 14.798 10.044 171 HE1 PHE 26 2HE PHE 26 6.346 14.186 7.617 172 HE2 PHE 26 1HE PHE 26 3.500 12.812 10.477 173 HZ PHE 26 HZ PHE 26 5.619 12.503 9.262 174 H THR 27 H THR 27 1.836 15.139 5.151 175 HA THR 27 HA THR 27 -1.041 14.882 5.652 176 HB THR 27 HB THR 27 0.649 13.843 3.370 177 HG1 THR 27 1HG THR 27 -1.431 15.778 3.287 178 HG21 THR 27 1HG2 THR 27 -1.395 12.455 4.082 179 HG22 THR 27 2HG2 THR 27 -1.283 12.945 2.391 180 HG23 THR 27 3HG2 THR 27 -2.353 13.813 3.491 181 H VAL 28 H VAL 28 -1.886 13.151 6.630 182 HA VAL 28 HA VAL 28 -0.185 10.767 6.963 183 HB VAL 28 HB VAL 28 -2.094 11.876 9.026 184 HG11 VAL 28 1HG1 VAL 28 -1.995 9.880 9.990 185 HG12 VAL 28 2HG1 VAL 28 -1.003 9.282 8.659 186 HG13 VAL 28 3HG1 VAL 28 -0.238 10.001 10.077 187 HG21 VAL 28 1HG2 VAL 28 0.045 13.179 8.625 188 HG22 VAL 28 2HG2 VAL 28 -0.228 12.611 10.272 189 HG23 VAL 28 3HG2 VAL 28 0.906 11.760 9.222 190 H SER 29 H SER 29 -1.066 9.228 5.741 191 HA SER 29 HA SER 29 -3.965 8.771 5.970 192 HB2 SER 29 1HB SER 29 -3.052 9.799 3.729 193 HB3 SER 29 2HB SER 29 -2.539 8.143 3.410 194 HG SER 29 HG SER 29 -4.598 7.496 3.337 195 H SER 30 H SER 30 -4.635 6.564 5.583 196 HA SER 30 HA SER 30 -2.500 4.633 6.212 197 HB2 SER 30 1HB SER 30 -4.368 3.264 7.234 198 HB3 SER 30 2HB SER 30 -3.994 4.768 8.075 199 HG SER 30 HG SER 30 -6.050 5.136 7.844 200 H VAL 31 H VAL 31 -2.430 2.683 5.132 201 HA VAL 31 HA VAL 31 -4.134 2.514 2.734 202 HB VAL 31 HB VAL 31 -1.328 1.504 3.200 203 HG11 VAL 31 1HG1 VAL 31 -3.354 0.440 1.493 204 HG12 VAL 31 2HG1 VAL 31 -2.087 1.170 0.502 205 HG13 VAL 31 3HG1 VAL 31 -1.678 -0.076 1.682 206 HG21 VAL 31 1HG2 VAL 31 -2.267 3.331 1.015 207 HG22 VAL 31 2HG2 VAL 31 -1.824 3.955 2.603 208 HG23 VAL 31 3HG2 VAL 31 -0.634 3.090 1.633 209 H ALA 32 H ALA 32 -5.342 0.741 2.393 210 HA ALA 32 HA ALA 32 -5.730 -1.123 4.508 211 HB1 ALA 32 1HB ALA 32 -7.522 -0.359 2.968 212 HB2 ALA 32 2HB ALA 32 -6.765 -1.301 1.684 213 HB3 ALA 32 3HB ALA 32 -7.411 -2.113 3.109 214 H ALA 33 H ALA 33 -4.304 -2.668 4.963 215 HA ALA 33 HA ALA 33 -3.497 -4.509 2.866 216 HB1 ALA 33 1HB ALA 33 -1.493 -2.951 4.490 217 HB2 ALA 33 2HB ALA 33 -1.101 -4.387 3.542 218 HB3 ALA 33 3HB ALA 33 -1.698 -2.935 2.738 219 HA PRO 34 HA PRO 34 -4.182 -7.356 6.165 220 HB2 PRO 34 1HB PRO 34 -2.995 -9.533 5.058 221 HB3 PRO 34 2HB PRO 34 -4.564 -8.919 4.524 222 HG2 PRO 34 1HG PRO 34 -1.857 -8.504 3.315 223 HG3 PRO 34 2HG PRO 34 -3.398 -8.857 2.513 224 HD2 PRO 34 1HD PRO 34 -2.356 -6.361 2.634 225 HD3 PRO 34 2HD PRO 34 -4.105 -6.665 2.630 226 H SER 35 H SER 35 -2.852 -9.096 7.376 227 HA SER 35 HA SER 35 -0.111 -8.098 7.801 228 HB2 SER 35 1HB SER 35 -0.408 -8.629 10.216 229 HB3 SER 35 2HB SER 35 -1.499 -7.363 9.656 230 HG SER 35 HG SER 35 -3.171 -8.668 9.903 231 H TRP 36 H TRP 36 -2.042 -10.697 6.979 232 HA TRP 36 HA TRP 36 -0.527 -12.812 8.166 233 HB2 TRP 36 1HB TRP 36 -1.810 -14.275 6.638 234 HB3 TRP 36 2HB TRP 36 -2.849 -13.172 7.534 235 HD1 TRP 36 HD TRP 36 -4.200 -11.363 6.156 236 HE1 TRP 36 1HE TRP 36 -4.653 -11.056 3.642 237 HE3 TRP 36 3HE TRP 36 -0.699 -14.594 4.302 238 HZ2 TRP 36 2HZ TRP 36 -3.657 -12.052 1.195 239 HZ3 TRP 36 3HZ TRP 36 -0.514 -14.860 1.862 240 HH2 TRP 36 HH TRP 36 -1.964 -13.615 0.343 241 H LEU 37 H LEU 37 -0.073 -10.779 5.467 242 HA LEU 37 HA LEU 37 1.925 -12.622 4.336 243 HB2 LEU 37 1HB LEU 37 1.773 -11.107 2.319 244 HB3 LEU 37 2HB LEU 37 0.369 -12.117 2.656 245 HG LEU 37 HG LEU 37 -0.607 -10.037 3.802 246 HD11 LEU 37 1HD1 LEU 37 0.232 -7.905 2.927 247 HD12 LEU 37 2HD1 LEU 37 1.572 -8.754 2.159 248 HD13 LEU 37 3HD1 LEU 37 1.435 -8.731 3.918 249 HD21 LEU 37 1HD2 LEU 37 -1.852 -10.196 1.971 250 HD22 LEU 37 2HD2 LEU 37 -0.507 -10.875 1.053 251 HD23 LEU 37 3HD2 LEU 37 -0.710 -9.125 1.160 252 H HIS 38 H HIS 38 2.021 -10.544 6.606 253 HA HIS 38 HA HIS 38 3.671 -8.414 5.831 254 HB2 HIS 38 1HB HIS 38 3.093 -9.791 8.421 255 HB3 HIS 38 2HB HIS 38 4.434 -8.651 8.348 256 HD2 HIS 38 2HD HIS 38 2.000 -7.080 6.095 257 HE1 HIS 38 1HE HIS 38 0.794 -5.798 9.955 258 HE2 HIS 38 2HE HIS 38 0.503 -5.483 7.474 259 H ARG 39 H ARG 39 4.419 -11.720 6.787 260 HA ARG 39 HA ARG 39 7.191 -11.462 7.079 261 HB2 ARG 39 1HB ARG 39 7.292 -13.869 6.794 262 HB3 ARG 39 2HB ARG 39 5.899 -13.446 7.782 263 HG2 ARG 39 1HG ARG 39 4.402 -13.819 5.961 264 HG3 ARG 39 2HG ARG 39 5.745 -14.012 4.831 265 HD2 ARG 39 1HD ARG 39 5.154 -15.819 7.174 266 HD3 ARG 39 2HD ARG 39 4.755 -16.165 5.492 267 HE ARG 39 HE ARG 39 7.444 -15.684 5.476 268 HH11 ARG 39 1HH1 ARG 39 5.336 -17.870 7.179 269 HH12 ARG 39 2HH1 ARG 39 6.533 -19.114 7.330 270 HH21 ARG 39 1HH2 ARG 39 9.028 -17.313 5.670 271 HH22 ARG 39 2HH2 ARG 39 8.633 -18.795 6.472 272 H PHE 40 H PHE 40 5.253 -11.237 4.301 273 HA PHE 40 HA PHE 40 7.551 -11.747 2.539 274 HB2 PHE 40 1HB PHE 40 4.585 -11.886 2.121 275 HB3 PHE 40 2HB PHE 40 5.652 -11.622 0.745 276 HD1 PHE 40 2HD PHE 40 7.286 -13.342 0.097 277 HD2 PHE 40 1HD PHE 40 4.438 -14.005 3.189 278 HE1 PHE 40 2HE PHE 40 7.694 -15.763 -0.051 279 HE2 PHE 40 1HE PHE 40 4.842 -16.428 3.047 280 HZ PHE 40 HZ PHE 40 6.471 -17.310 1.424 281 H ILE 41 H ILE 41 5.263 -9.352 3.596 282 HA ILE 41 HA ILE 41 5.830 -7.444 1.542 283 HB ILE 41 HB ILE 41 3.768 -7.595 3.143 284 HG12 ILE 41 1HG1 ILE 41 4.865 -4.831 2.683 285 HG13 ILE 41 2HG1 ILE 41 4.388 -5.854 1.332 286 HG21 ILE 41 1HG2 ILE 41 3.852 -6.471 5.161 287 HG22 ILE 41 2HG2 ILE 41 5.414 -7.288 5.127 288 HG23 ILE 41 3HG2 ILE 41 5.305 -5.575 4.721 289 HD11 ILE 41 1HD1 ILE 41 2.238 -5.970 3.075 290 HD12 ILE 41 2HD1 ILE 41 2.764 -4.287 3.124 291 HD13 ILE 41 3HD1 ILE 41 2.348 -5.036 1.583 292 H ILE 42 H ILE 42 7.110 -8.137 4.732 293 HA ILE 42 HA ILE 42 8.708 -5.736 4.829 294 HB ILE 42 HB ILE 42 8.729 -8.193 6.585 295 HG12 ILE 42 1HG1 ILE 42 7.699 -5.421 7.201 296 HG13 ILE 42 2HG1 ILE 42 6.672 -6.713 6.589 297 HG21 ILE 42 1HG2 ILE 42 10.176 -7.039 8.072 298 HG22 ILE 42 2HG2 ILE 42 10.900 -6.932 6.470 299 HG23 ILE 42 3HG2 ILE 42 10.046 -5.545 7.143 300 HD11 ILE 42 1HD1 ILE 42 6.760 -7.892 8.548 301 HD12 ILE 42 2HD1 ILE 42 8.307 -7.194 9.027 302 HD13 ILE 42 3HD1 ILE 42 6.833 -6.234 9.144 303 H GLY 43 H GLY 43 9.443 -9.226 4.644 304 HA2 GLY 43 1HA GLY 43 11.015 -9.978 2.927 305 HA3 GLY 43 2HA GLY 43 11.923 -8.501 3.211 306 H LYS 44 H LYS 44 12.663 -11.397 3.365 307 HA LYS 44 HA LYS 44 13.015 -12.290 5.962 308 HB2 LYS 44 1HB LYS 44 14.494 -12.713 3.404 309 HB3 LYS 44 2HB LYS 44 15.217 -13.300 4.895 310 HG2 LYS 44 1HG LYS 44 12.396 -13.992 4.165 311 HG3 LYS 44 2HG LYS 44 13.765 -14.906 3.527 312 HD2 LYS 44 1HD LYS 44 14.442 -15.584 5.687 313 HD3 LYS 44 2HD LYS 44 13.384 -14.408 6.469 314 HE2 LYS 44 1HE LYS 44 11.447 -15.629 5.907 315 HE3 LYS 44 2HE LYS 44 12.320 -16.628 4.746 316 HZ1 LYS 44 1HZ LYS 44 11.864 -17.125 7.461 317 HZ2 LYS 44 2HZ LYS 44 13.531 -16.926 7.251 318 HZ3 LYS 44 3HZ LYS 44 12.699 -18.088 6.347 319 H LYS 45 H LYS 45 15.234 -10.298 4.019 320 HA LYS 45 HA LYS 45 16.622 -9.565 6.512 321 HB2 LYS 45 1HB LYS 45 17.860 -10.744 4.548 322 HB3 LYS 45 2HB LYS 45 17.791 -9.165 3.775 323 HG2 LYS 45 1HG LYS 45 18.897 -8.237 5.842 324 HG3 LYS 45 2HG LYS 45 19.169 -9.909 6.340 325 HD2 LYS 45 1HD LYS 45 20.488 -10.335 4.374 326 HD3 LYS 45 2HD LYS 45 20.098 -8.744 3.716 327 HE2 LYS 45 1HE LYS 45 22.156 -8.302 4.601 328 HE3 LYS 45 2HE LYS 45 21.149 -7.933 5.999 329 HZ1 LYS 45 1HZ LYS 45 23.240 -9.646 5.987 330 HZ2 LYS 45 2HZ LYS 45 21.922 -10.697 5.838 331 HZ3 LYS 45 3HZ LYS 45 22.007 -9.626 7.144 332 H GLY 46 H GLY 46 14.227 -8.290 5.840 333 HA2 GLY 46 1HA GLY 46 13.305 -6.237 5.271 334 HA3 GLY 46 2HA GLY 46 14.635 -5.671 6.269 335 H GLN 47 H GLN 47 13.956 -6.712 2.933 336 HA GLN 47 HA GLN 47 15.944 -4.749 2.012 337 HB2 GLN 47 1HB GLN 47 16.009 -7.313 1.417 338 HB3 GLN 47 2HB GLN 47 14.806 -6.854 0.219 339 HG2 GLN 47 1HG GLN 47 16.382 -5.187 -0.682 340 HG3 GLN 47 2HG GLN 47 17.592 -5.746 0.474 341 HE21 GLN 47 1HE2 GLN 47 16.382 -6.097 -2.606 342 HE22 GLN 47 2HE2 GLN 47 17.125 -7.602 -3.018 343 H ASN 48 H ASN 48 12.684 -5.992 1.394 344 HA ASN 48 HA ASN 48 11.981 -4.284 -0.694 345 HB2 ASN 48 1HB ASN 48 10.424 -5.769 1.392 346 HB3 ASN 48 2HB ASN 48 9.591 -4.630 0.338 347 HD21 ASN 48 1HD2 ASN 48 9.647 -7.647 0.640 348 HD22 ASN 48 2HD2 ASN 48 9.866 -8.221 -0.975 349 H LEU 49 H LEU 49 11.493 -3.876 2.806 350 HA LEU 49 HA LEU 49 10.327 -1.297 2.588 351 HB2 LEU 49 1HB LEU 49 11.468 -2.924 4.816 352 HB3 LEU 49 2HB LEU 49 11.100 -1.221 5.084 353 HG LEU 49 HG LEU 49 9.050 -3.183 4.080 354 HD11 LEU 49 1HD1 LEU 49 8.795 -2.408 6.862 355 HD12 LEU 49 2HD1 LEU 49 10.268 -3.327 6.559 356 HD13 LEU 49 3HD1 LEU 49 8.701 -4.005 6.118 357 HD21 LEU 49 1HD2 LEU 49 8.833 -0.615 3.888 358 HD22 LEU 49 2HD2 LEU 49 8.570 -0.666 5.631 359 HD23 LEU 49 3HD2 LEU 49 7.483 -1.537 4.549 360 H ALA 50 H ALA 50 13.566 -2.332 3.667 361 HA ALA 50 HA ALA 50 14.749 0.088 4.108 362 HB1 ALA 50 1HB ALA 50 15.851 -2.065 4.496 363 HB2 ALA 50 2HB ALA 50 16.046 -2.274 2.754 364 HB3 ALA 50 3HB ALA 50 16.881 -0.961 3.583 365 H LYS 51 H LYS 51 14.456 -1.568 0.977 366 HA LYS 51 HA LYS 51 15.831 0.310 -0.571 367 HB2 LYS 51 1HB LYS 51 14.802 -2.073 -1.123 368 HB3 LYS 51 2HB LYS 51 13.470 -1.098 -1.730 369 HG2 LYS 51 1HG LYS 51 14.708 -0.223 -3.445 370 HG3 LYS 51 2HG LYS 51 16.239 -0.427 -2.591 371 HD2 LYS 51 1HD LYS 51 15.965 -2.901 -2.871 372 HD3 LYS 51 2HD LYS 51 14.571 -2.570 -3.903 373 HE2 LYS 51 1HE LYS 51 16.186 -1.078 -5.239 374 HE3 LYS 51 2HE LYS 51 17.464 -1.936 -4.380 375 HZ1 LYS 51 1HZ LYS 51 15.953 -3.965 -5.242 376 HZ2 LYS 51 2HZ LYS 51 17.284 -3.355 -6.091 377 HZ3 LYS 51 3HZ LYS 51 15.720 -2.857 -6.500 378 H ILE 52 H ILE 52 12.288 -0.074 -0.354 379 HA ILE 52 HA ILE 52 11.558 2.230 -1.678 380 HB ILE 52 HB ILE 52 10.135 1.010 0.691 381 HG12 ILE 52 1HG1 ILE 52 9.763 0.500 -2.267 382 HG13 ILE 52 2HG1 ILE 52 10.598 -0.583 -1.159 383 HG21 ILE 52 1HG2 ILE 52 9.578 3.404 -0.379 384 HG22 ILE 52 2HG2 ILE 52 8.649 2.371 -1.466 385 HG23 ILE 52 3HG2 ILE 52 8.343 2.324 0.271 386 HD11 ILE 52 1HD1 ILE 52 8.257 -1.229 -1.686 387 HD12 ILE 52 2HD1 ILE 52 8.586 -1.022 0.035 388 HD13 ILE 52 3HD1 ILE 52 7.721 0.232 -0.855 389 H THR 53 H THR 53 11.754 1.880 1.870 390 HA THR 53 HA THR 53 11.312 4.490 2.597 391 HB THR 53 HB THR 53 12.718 4.034 4.616 392 HG1 THR 53 1HG THR 53 13.400 1.799 3.045 393 HG21 THR 53 1HG2 THR 53 10.275 3.161 4.103 394 HG22 THR 53 2HG2 THR 53 11.128 2.687 5.573 395 HG23 THR 53 3HG2 THR 53 11.071 1.591 4.192 396 H GLN 54 H GLN 54 14.269 3.050 1.365 397 HA GLN 54 HA GLN 54 16.028 5.157 1.968 398 HB2 GLN 54 1HB GLN 54 16.674 2.845 1.223 399 HB3 GLN 54 2HB GLN 54 16.202 3.303 -0.409 400 HG2 GLN 54 1HG GLN 54 18.571 3.506 -0.213 401 HG3 GLN 54 2HG GLN 54 17.877 5.123 -0.334 402 HE21 GLN 54 1HE2 GLN 54 19.572 6.151 0.653 403 HE22 GLN 54 2HE2 GLN 54 19.939 5.971 2.332 404 H GLN 55 H GLN 55 13.908 4.573 -0.788 405 HA GLN 55 HA GLN 55 14.861 6.825 -2.282 406 HB2 GLN 55 1HB GLN 55 13.860 4.859 -3.377 407 HB3 GLN 55 2HB GLN 55 12.320 5.216 -2.605 408 HG2 GLN 55 1HG GLN 55 12.133 6.025 -4.794 409 HG3 GLN 55 2HG GLN 55 12.398 7.448 -3.787 410 HE21 GLN 55 1HE2 GLN 55 13.375 5.783 -6.512 411 HE22 GLN 55 2HE2 GLN 55 14.858 6.616 -6.813 412 H MET 56 H MET 56 12.227 6.215 -0.041 413 HA MET 56 HA MET 56 11.661 9.100 -0.032 414 HB2 MET 56 1HB MET 56 9.620 6.872 0.029 415 HB3 MET 56 2HB MET 56 9.255 8.567 0.321 416 HG2 MET 56 1HG MET 56 8.684 8.349 -1.885 417 HG3 MET 56 2HG MET 56 10.344 8.927 -2.009 418 HE1 MET 56 1HE MET 56 8.359 5.877 -1.307 419 HE2 MET 56 2HE MET 56 8.090 5.509 -3.011 420 HE3 MET 56 3HE MET 56 9.224 4.542 -2.068 421 HA PRO 57 HA PRO 57 12.642 7.625 4.231 422 HB2 PRO 57 1HB PRO 57 14.086 9.826 4.893 423 HB3 PRO 57 2HB PRO 57 14.783 8.438 4.051 424 HG2 PRO 57 1HG PRO 57 13.839 11.051 2.937 425 HG3 PRO 57 2HG PRO 57 15.302 10.130 2.542 426 HD2 PRO 57 1HD PRO 57 13.088 10.086 0.983 427 HD3 PRO 57 2HD PRO 57 14.168 8.687 1.147 428 H LYS 58 H LYS 58 11.335 10.590 2.924 429 HA LYS 58 HA LYS 58 10.459 11.741 5.356 430 HB2 LYS 58 1HB LYS 58 9.673 12.111 2.478 431 HB3 LYS 58 2HB LYS 58 8.814 12.946 3.765 432 HG2 LYS 58 1HG LYS 58 11.268 13.633 4.467 433 HG3 LYS 58 2HG LYS 58 11.575 13.339 2.753 434 HD2 LYS 58 1HD LYS 58 10.981 15.542 2.656 435 HD3 LYS 58 2HD LYS 58 9.385 14.807 2.489 436 HE2 LYS 58 1HE LYS 58 8.985 15.097 4.871 437 HE3 LYS 58 2HE LYS 58 10.601 15.770 5.077 438 HZ1 LYS 58 1HZ LYS 58 8.595 16.986 3.271 439 HZ2 LYS 58 2HZ LYS 58 10.024 17.676 3.857 440 HZ3 LYS 58 3HZ LYS 58 8.720 17.413 4.903 441 H VAL 59 H VAL 59 9.267 9.155 3.431 442 HA VAL 59 HA VAL 59 6.605 9.263 4.616 443 HB VAL 59 HB VAL 59 7.757 7.261 2.668 444 HG11 VAL 59 1HG1 VAL 59 4.842 7.692 2.946 445 HG12 VAL 59 2HG1 VAL 59 5.745 6.216 2.597 446 HG13 VAL 59 3HG1 VAL 59 5.650 6.822 4.250 447 HG21 VAL 59 1HG2 VAL 59 7.687 9.438 1.648 448 HG22 VAL 59 2HG2 VAL 59 6.365 8.467 1.000 449 HG23 VAL 59 3HG2 VAL 59 6.039 9.699 2.220 450 H HIS 60 H HIS 60 6.242 8.350 6.518 451 HA HIS 60 HA HIS 60 8.049 6.280 7.504 452 HB2 HIS 60 1HB HIS 60 7.411 8.280 8.908 453 HB3 HIS 60 2HB HIS 60 5.782 7.617 8.988 454 HD1 HIS 60 1HD HIS 60 9.317 6.799 10.044 455 HD2 HIS 60 2HD HIS 60 5.406 5.687 10.896 456 HE1 HIS 60 1HE HIS 60 9.467 5.303 12.061 457 H ILE 61 H ILE 61 7.556 4.248 7.031 458 HA ILE 61 HA ILE 61 4.756 3.482 6.666 459 HB ILE 61 HB ILE 61 7.270 1.907 6.099 460 HG12 ILE 61 1HG1 ILE 61 5.377 3.214 4.141 461 HG13 ILE 61 2HG1 ILE 61 6.880 3.954 4.680 462 HG21 ILE 61 1HG2 ILE 61 4.738 1.157 4.815 463 HG22 ILE 61 2HG2 ILE 61 6.010 0.145 5.499 464 HG23 ILE 61 3HG2 ILE 61 4.805 0.882 6.555 465 HD11 ILE 61 1HD1 ILE 61 7.983 1.784 3.845 466 HD12 ILE 61 2HD1 ILE 61 6.473 1.544 2.965 467 HD13 ILE 61 3HD1 ILE 61 7.451 2.981 2.665 468 H GLU 62 H GLU 62 3.659 2.407 8.167 469 HA GLU 62 HA GLU 62 5.176 1.052 10.301 470 HB2 GLU 62 1HB GLU 62 4.036 3.070 11.118 471 HB3 GLU 62 2HB GLU 62 2.504 2.451 10.518 472 HG2 GLU 62 1HG GLU 62 2.294 0.932 12.200 473 HG3 GLU 62 2HG GLU 62 4.035 0.763 12.416 474 H PHE 63 H PHE 63 4.411 -0.922 11.056 475 HA PHE 63 HA PHE 63 2.260 -2.149 9.461 476 HB2 PHE 63 1HB PHE 63 5.011 -3.117 10.054 477 HB3 PHE 63 2HB PHE 63 3.718 -4.313 10.040 478 HD1 PHE 63 2HD PHE 63 2.045 -3.912 7.927 479 HD2 PHE 63 1HD PHE 63 6.181 -2.920 8.105 480 HE1 PHE 63 2HE PHE 63 2.175 -4.022 5.472 481 HE2 PHE 63 1HE PHE 63 6.317 -3.027 5.651 482 HZ PHE 63 HZ PHE 63 4.312 -3.580 4.331 483 H THR 64 H THR 64 0.661 -1.947 10.982 484 HA THR 64 HA THR 64 0.987 -2.484 13.741 485 HB THR 64 HB THR 64 -0.856 -1.108 13.027 486 HG1 THR 64 1HG THR 64 -1.763 -1.951 14.742 487 HG21 THR 64 1HG2 THR 64 -2.008 -1.563 11.177 488 HG22 THR 64 2HG2 THR 64 -2.684 -2.997 11.948 489 HG23 THR 64 3HG2 THR 64 -1.180 -3.113 11.034 490 H GLU 65 H GLU 65 -0.607 -4.181 14.774 491 HA GLU 65 HA GLU 65 -0.226 -6.752 13.386 492 HB2 GLU 65 1HB GLU 65 0.108 -7.775 15.641 493 HB3 GLU 65 2HB GLU 65 1.388 -6.670 15.159 494 HG2 GLU 65 1HG GLU 65 -0.898 -5.793 16.889 495 HG3 GLU 65 2HG GLU 65 0.555 -6.534 17.556 496 H GLY 66 H GLY 66 -2.372 -4.596 14.831 497 HA2 GLY 66 1HA GLY 66 -4.449 -6.692 14.911 498 HA3 GLY 66 2HA GLY 66 -4.348 -5.464 16.162 499 H GLU 67 H GLU 67 -3.446 -3.753 13.631 500 HA GLU 67 HA GLU 67 -6.184 -2.866 13.074 501 HB2 GLU 67 1HB GLU 67 -3.510 -1.525 13.022 502 HB3 GLU 67 2HB GLU 67 -4.813 -0.881 12.033 503 HG2 GLU 67 1HG GLU 67 -4.913 -1.287 15.014 504 HG3 GLU 67 2HG GLU 67 -4.650 0.249 14.190 505 H ASP 68 H ASP 68 -3.841 -4.769 11.722 506 HA ASP 68 HA ASP 68 -3.245 -5.339 9.565 507 HB2 ASP 68 1HB ASP 68 -5.277 -6.042 8.254 508 HB3 ASP 68 2HB ASP 68 -5.196 -6.690 9.889 509 H LYS 69 H LYS 69 -2.671 -2.790 9.604 510 HA LYS 69 HA LYS 69 -3.346 -1.894 6.946 511 HB2 LYS 69 1HB LYS 69 -4.231 0.257 7.562 512 HB3 LYS 69 2HB LYS 69 -5.195 -0.986 8.350 513 HG2 LYS 69 1HG LYS 69 -4.930 0.465 10.081 514 HG3 LYS 69 2HG LYS 69 -3.514 -0.558 10.331 515 HD2 LYS 69 1HD LYS 69 -2.055 1.042 9.460 516 HD3 LYS 69 2HD LYS 69 -3.353 1.913 8.638 517 HE2 LYS 69 1HE LYS 69 -4.218 2.218 11.122 518 HE3 LYS 69 2HE LYS 69 -2.509 1.988 11.490 519 HZ1 LYS 69 1HZ LYS 69 -2.868 3.812 9.336 520 HZ2 LYS 69 2HZ LYS 69 -2.056 4.033 10.803 521 HZ3 LYS 69 3HZ LYS 69 -3.719 4.323 10.707 522 H ILE 70 H ILE 70 -2.051 -0.020 6.284 523 HA ILE 70 HA ILE 70 0.472 0.105 7.800 524 HB ILE 70 HB ILE 70 0.021 0.538 4.845 525 HG12 ILE 70 1HG1 ILE 70 1.594 -1.656 6.198 526 HG13 ILE 70 2HG1 ILE 70 -0.098 -1.837 5.746 527 HG21 ILE 70 1HG2 ILE 70 2.754 0.191 5.468 528 HG22 ILE 70 2HG2 ILE 70 1.955 1.622 4.819 529 HG23 ILE 70 3HG2 ILE 70 2.117 1.418 6.562 530 HD11 ILE 70 1HD1 ILE 70 0.480 -1.461 3.412 531 HD12 ILE 70 2HD1 ILE 70 2.174 -1.258 3.861 532 HD13 ILE 70 3HD1 ILE 70 1.381 -2.818 4.088 533 H THR 71 H THR 71 0.737 1.941 8.867 534 HA THR 71 HA THR 71 -0.725 4.326 8.140 535 HB THR 71 HB THR 71 1.385 4.192 10.280 536 HG1 THR 71 1HG THR 71 -0.470 2.482 10.245 537 HG21 THR 71 1HG2 THR 71 -0.778 6.012 9.497 538 HG22 THR 71 2HG2 THR 71 0.690 6.327 10.424 539 HG23 THR 71 3HG2 THR 71 -0.727 5.645 11.220 540 H LEU 72 H LEU 72 0.006 5.942 6.923 541 HA LEU 72 HA LEU 72 2.903 6.098 6.406 542 HB2 LEU 72 1HB LEU 72 0.569 6.649 4.589 543 HB3 LEU 72 2HB LEU 72 2.213 7.169 4.224 544 HG LEU 72 HG LEU 72 1.783 5.177 2.991 545 HD11 LEU 72 1HD1 LEU 72 3.904 5.465 4.674 546 HD12 LEU 72 2HD1 LEU 72 3.751 4.211 3.444 547 HD13 LEU 72 3HD1 LEU 72 3.308 3.864 5.115 548 HD21 LEU 72 1HD2 LEU 72 1.195 3.662 5.511 549 HD22 LEU 72 2HD2 LEU 72 0.872 3.205 3.838 550 HD23 LEU 72 3HD2 LEU 72 -0.087 4.471 4.607 551 H GLU 73 H GLU 73 3.904 8.001 6.729 552 HA GLU 73 HA GLU 73 2.242 10.380 7.211 553 HB2 GLU 73 1HB GLU 73 4.588 9.448 8.873 554 HB3 GLU 73 2HB GLU 73 3.815 11.019 9.035 555 HG2 GLU 73 1HG GLU 73 1.739 9.969 9.691 556 HG3 GLU 73 2HG GLU 73 2.442 8.372 9.440 557 H GLY 74 H GLY 74 2.947 12.228 6.291 558 HA2 GLY 74 1HA GLY 74 5.327 13.290 5.810 559 HA3 GLY 74 2HA GLY 74 5.304 12.034 4.580 560 HA PRO 75 HA PRO 75 3.427 15.929 2.842 561 HB2 PRO 75 1HB PRO 75 4.978 15.986 0.615 562 HB3 PRO 75 2HB PRO 75 5.461 16.734 2.141 563 HG2 PRO 75 1HG PRO 75 6.260 14.088 0.993 564 HG3 PRO 75 2HG PRO 75 7.265 15.305 1.802 565 HD2 PRO 75 1HD PRO 75 6.368 13.084 3.064 566 HD3 PRO 75 2HD PRO 75 6.612 14.628 3.906 567 H THR 76 H THR 76 1.602 15.662 1.734 568 HA THR 76 HA THR 76 0.569 13.389 0.707 569 HB THR 76 HB THR 76 -0.758 15.420 0.890 570 HG1 THR 76 1HG THR 76 -1.913 15.158 -1.066 571 HG21 THR 76 1HG2 THR 76 0.175 16.538 -1.678 572 HG22 THR 76 2HG2 THR 76 1.280 16.716 -0.314 573 HG23 THR 76 3HG2 THR 76 -0.358 17.358 -0.211 574 H GLU 77 H GLU 77 3.007 15.368 -0.767 575 HA GLU 77 HA GLU 77 2.762 14.462 -3.427 576 HB2 GLU 77 1HB GLU 77 4.051 16.464 -2.788 577 HB3 GLU 77 2HB GLU 77 5.227 15.439 -1.976 578 HG2 GLU 77 1HG GLU 77 6.179 15.983 -4.045 579 HG3 GLU 77 2HG GLU 77 5.608 14.324 -4.208 580 H ASP 78 H ASP 78 5.043 13.470 -0.872 581 HA ASP 78 HA ASP 78 5.952 11.210 -2.393 582 HB2 ASP 78 1HB ASP 78 6.417 11.870 0.524 583 HB3 ASP 78 2HB ASP 78 7.311 10.690 -0.432 584 H VAL 79 H VAL 79 3.814 11.720 0.376 585 HA VAL 79 HA VAL 79 3.363 9.148 1.214 586 HB VAL 79 HB VAL 79 1.286 11.325 0.938 587 HG11 VAL 79 1HG1 VAL 79 -0.185 10.058 2.067 588 HG12 VAL 79 2HG1 VAL 79 0.800 8.709 1.493 589 HG13 VAL 79 3HG1 VAL 79 1.057 9.366 3.110 590 HG21 VAL 79 1HG2 VAL 79 2.206 12.344 2.692 591 HG22 VAL 79 2HG2 VAL 79 2.327 10.833 3.593 592 HG23 VAL 79 3HG2 VAL 79 3.605 11.293 2.469 593 H SER 80 H SER 80 1.845 10.823 -1.514 594 HA SER 80 HA SER 80 0.038 8.777 -2.206 595 HB2 SER 80 1HB SER 80 -0.275 11.010 -3.075 596 HB3 SER 80 2HB SER 80 1.289 10.960 -3.888 597 HG SER 80 HG SER 80 -0.208 10.470 -5.423 598 H VAL 81 H VAL 81 3.400 9.345 -3.026 599 HA VAL 81 HA VAL 81 3.545 7.366 -5.077 600 HB VAL 81 HB VAL 81 5.750 8.626 -3.439 601 HG11 VAL 81 1HG1 VAL 81 7.175 7.891 -5.390 602 HG12 VAL 81 2HG1 VAL 81 6.611 6.603 -4.323 603 HG13 VAL 81 3HG1 VAL 81 5.826 6.868 -5.880 604 HG21 VAL 81 1HG2 VAL 81 4.845 10.387 -4.624 605 HG22 VAL 81 2HG2 VAL 81 6.074 9.800 -5.745 606 HG23 VAL 81 3HG2 VAL 81 4.380 9.370 -5.989 607 H ALA 82 H ALA 82 4.789 7.439 -1.733 608 HA ALA 82 HA ALA 82 5.687 4.798 -1.643 609 HB1 ALA 82 1HB ALA 82 4.860 5.380 0.946 610 HB2 ALA 82 2HB ALA 82 6.460 5.659 0.257 611 HB3 ALA 82 3HB ALA 82 5.256 6.947 0.240 612 H GLN 83 H GLN 83 2.596 6.135 -0.468 613 HA GLN 83 HA GLN 83 1.451 3.741 0.367 614 HB2 GLN 83 1HB GLN 83 -0.586 4.887 0.483 615 HB3 GLN 83 2HB GLN 83 0.617 6.153 0.688 616 HG2 GLN 83 1HG GLN 83 0.357 6.839 -1.603 617 HG3 GLN 83 2HG GLN 83 -0.744 5.496 -1.913 618 HE21 GLN 83 1HE2 GLN 83 -2.855 5.721 -1.457 619 HE22 GLN 83 2HE2 GLN 83 -3.562 7.133 -0.755 620 H GLU 84 H GLU 84 1.333 5.314 -2.810 621 HA GLU 84 HA GLU 84 -0.402 3.485 -4.045 622 HB2 GLU 84 1HB GLU 84 0.171 5.688 -4.994 623 HB3 GLU 84 2HB GLU 84 1.808 5.124 -5.302 624 HG2 GLU 84 1HG GLU 84 1.037 3.543 -6.914 625 HG3 GLU 84 2HG GLU 84 -0.645 3.863 -6.499 626 H GLN 85 H GLN 85 3.145 3.581 -3.891 627 HA GLN 85 HA GLN 85 3.685 1.383 -5.509 628 HB2 GLN 85 1HB GLN 85 5.159 2.560 -3.162 629 HB3 GLN 85 2HB GLN 85 5.791 1.189 -4.064 630 HG2 GLN 85 1HG GLN 85 5.871 2.495 -6.085 631 HG3 GLN 85 2HG GLN 85 5.103 3.858 -5.272 632 HE21 GLN 85 1HE2 GLN 85 7.128 4.828 -6.237 633 HE22 GLN 85 2HE2 GLN 85 8.527 4.857 -5.224 634 H ILE 86 H ILE 86 2.950 1.533 -2.055 635 HA ILE 86 HA ILE 86 3.368 -1.234 -1.559 636 HB ILE 86 HB ILE 86 1.751 0.799 -0.017 637 HG12 ILE 86 1HG1 ILE 86 4.512 -0.325 0.503 638 HG13 ILE 86 2HG1 ILE 86 4.193 1.250 -0.214 639 HG21 ILE 86 1HG2 ILE 86 2.066 -2.078 0.311 640 HG22 ILE 86 2HG2 ILE 86 2.511 -1.162 1.750 641 HG23 ILE 86 3HG2 ILE 86 0.905 -0.973 1.047 642 HD11 ILE 86 1HD1 ILE 86 2.851 0.769 2.345 643 HD12 ILE 86 2HD1 ILE 86 4.612 0.817 2.416 644 HD13 ILE 86 3HD1 ILE 86 3.719 2.188 1.761 645 H GLU 87 H GLU 87 0.589 0.685 -2.528 646 HA GLU 87 HA GLU 87 -1.437 -1.185 -2.073 647 HB2 GLU 87 1HB GLU 87 -1.127 1.096 -3.999 648 HB3 GLU 87 2HB GLU 87 -2.538 0.051 -4.083 649 HG2 GLU 87 1HG GLU 87 -1.771 1.273 -1.476 650 HG3 GLU 87 2HG GLU 87 -2.602 2.246 -2.689 651 H GLY 88 H GLY 88 0.903 -0.913 -4.659 652 HA2 GLY 88 1HA GLY 88 -0.403 -2.786 -6.399 653 HA3 GLY 88 2HA GLY 88 1.233 -2.168 -6.570 654 H MET 89 H MET 89 2.616 -2.988 -4.504 655 HA MET 89 HA MET 89 3.097 -5.695 -4.966 656 HB2 MET 89 1HB MET 89 4.513 -5.590 -2.923 657 HB3 MET 89 2HB MET 89 4.820 -4.277 -4.052 658 HG2 MET 89 1HG MET 89 3.184 -2.927 -2.607 659 HG3 MET 89 2HG MET 89 3.426 -4.194 -1.407 660 HE1 MET 89 1HE MET 89 5.146 -4.600 -0.082 661 HE2 MET 89 2HE MET 89 6.663 -3.721 0.115 662 HE3 MET 89 3HE MET 89 5.147 -2.997 0.655 663 H VAL 90 H VAL 90 1.040 -4.104 -2.619 664 HA VAL 90 HA VAL 90 0.581 -6.335 -0.944 665 HB VAL 90 HB VAL 90 -1.012 -3.828 -1.443 666 HG11 VAL 90 1HG1 VAL 90 -2.796 -4.792 -0.534 667 HG12 VAL 90 2HG1 VAL 90 -1.897 -6.280 -0.222 668 HG13 VAL 90 3HG1 VAL 90 -1.873 -4.969 0.958 669 HG21 VAL 90 1HG2 VAL 90 1.270 -3.979 -0.166 670 HG22 VAL 90 2HG2 VAL 90 -0.047 -2.994 0.472 671 HG23 VAL 90 3HG2 VAL 90 0.261 -4.596 1.143 672 H LYS 91 H LYS 91 -1.582 -4.866 -3.375 673 HA LYS 91 HA LYS 91 -3.511 -6.861 -3.389 674 HB2 LYS 91 1HB LYS 91 -3.360 -4.513 -4.596 675 HB3 LYS 91 2HB LYS 91 -2.815 -5.493 -5.952 676 HG2 LYS 91 1HG LYS 91 -4.878 -6.826 -5.787 677 HG3 LYS 91 2HG LYS 91 -5.428 -5.774 -4.481 678 HD2 LYS 91 1HD LYS 91 -5.248 -3.845 -6.048 679 HD3 LYS 91 2HD LYS 91 -4.872 -4.986 -7.340 680 HE2 LYS 91 1HE LYS 91 -7.068 -6.144 -6.665 681 HE3 LYS 91 2HE LYS 91 -7.428 -4.647 -5.806 682 HZ1 LYS 91 1HZ LYS 91 -8.250 -4.895 -8.197 683 HZ2 LYS 91 2HZ LYS 91 -6.645 -4.614 -8.652 684 HZ3 LYS 91 3HZ LYS 91 -7.492 -3.443 -7.772 685 H ASP 92 H ASP 92 -0.761 -6.487 -5.628 686 HA ASP 92 HA ASP 92 -1.105 -8.707 -7.193 687 HB2 ASP 92 1HB ASP 92 0.717 -6.921 -7.334 688 HB3 ASP 92 2HB ASP 92 1.609 -7.891 -6.166 689 H LEU 93 H LEU 93 0.594 -8.564 -4.073 690 HA LEU 93 HA LEU 93 1.396 -11.221 -3.922 691 HB2 LEU 93 1HB LEU 93 0.687 -9.192 -1.831 692 HB3 LEU 93 2HB LEU 93 1.179 -10.826 -1.389 693 HG LEU 93 HG LEU 93 2.942 -9.196 -3.166 694 HD11 LEU 93 1HD1 LEU 93 3.489 -7.706 -1.616 695 HD12 LEU 93 2HD1 LEU 93 3.690 -8.964 -0.397 696 HD13 LEU 93 3HD1 LEU 93 2.101 -8.254 -0.676 697 HD21 LEU 93 1HD2 LEU 93 3.432 -11.294 -1.055 698 HD22 LEU 93 2HD2 LEU 93 4.680 -10.500 -2.016 699 HD23 LEU 93 3HD2 LEU 93 3.484 -11.532 -2.802 700 H ILE 94 H ILE 94 -1.596 -9.733 -2.696 701 HA ILE 94 HA ILE 94 -2.735 -12.078 -1.661 702 HB ILE 94 HB ILE 94 -4.188 -9.680 -2.783 703 HG12 ILE 94 1HG1 ILE 94 -3.491 -10.184 0.105 704 HG13 ILE 94 2HG1 ILE 94 -2.422 -9.286 -0.965 705 HG21 ILE 94 1HG2 ILE 94 -5.665 -10.665 -0.696 706 HG22 ILE 94 2HG2 ILE 94 -5.985 -10.954 -2.406 707 HG23 ILE 94 3HG2 ILE 94 -5.064 -12.132 -1.470 708 HD11 ILE 94 1HD1 ILE 94 -4.010 -7.565 -1.254 709 HD12 ILE 94 2HD1 ILE 94 -5.289 -8.524 -0.508 710 HD13 ILE 94 3HD1 ILE 94 -3.956 -7.916 0.473 711 H ASN 95 H ASN 95 -3.014 -10.571 -4.857 712 HA ASN 95 HA ASN 95 -4.948 -12.187 -5.986 713 HB2 ASN 95 1HB ASN 95 -2.605 -10.693 -7.092 714 HB3 ASN 95 2HB ASN 95 -3.498 -11.778 -8.154 715 HD21 ASN 95 1HD2 ASN 95 -4.117 -9.248 -5.745 716 HD22 ASN 95 2HD2 ASN 95 -5.386 -8.478 -6.630 717 H ARG 96 H ARG 96 -1.462 -12.765 -5.731 718 HA ARG 96 HA ARG 96 -1.183 -15.032 -7.248 719 HB2 ARG 96 1HB ARG 96 0.128 -14.223 -4.661 720 HB3 ARG 96 2HB ARG 96 0.584 -15.695 -5.508 721 HG2 ARG 96 1HG ARG 96 0.952 -14.177 -7.542 722 HG3 ARG 96 2HG ARG 96 0.915 -12.851 -6.378 723 HD2 ARG 96 1HD ARG 96 2.850 -13.554 -5.320 724 HD3 ARG 96 2HD ARG 96 2.677 -15.214 -5.888 725 HE ARG 96 HE ARG 96 3.074 -13.818 -8.170 726 HH11 ARG 96 1HH1 ARG 96 4.782 -13.988 -5.141 727 HH12 ARG 96 2HH1 ARG 96 6.329 -13.659 -5.847 728 HH21 ARG 96 1HH2 ARG 96 5.105 -13.383 -9.111 729 HH22 ARG 96 2HH2 ARG 96 6.512 -13.314 -8.105 730 H SER 97 H SER 97 -2.237 -14.835 -3.862 731 HA SER 97 HA SER 97 -2.555 -17.629 -3.513 732 HB2 SER 97 1HB SER 97 -3.534 -15.210 -2.021 733 HB3 SER 97 2HB SER 97 -4.084 -16.824 -1.571 734 HG SER 97 HG SER 97 -1.345 -16.146 -1.823 735 H GLY 98 H GLY 98 -4.729 -18.611 -2.946 736 HA2 GLY 98 1HA GLY 98 -6.944 -19.071 -3.443 737 HA3 GLY 98 2HA GLY 98 -7.050 -17.513 -4.249 738 HA PRO 99 HA PRO 99 -7.346 -20.642 -7.582 739 HB2 PRO 99 1HB PRO 99 -9.059 -19.173 -9.092 740 HB3 PRO 99 2HB PRO 99 -9.596 -20.214 -7.768 741 HG2 PRO 99 1HG PRO 99 -9.164 -17.251 -7.794 742 HG3 PRO 99 2HG PRO 99 -10.492 -18.182 -7.076 743 HD2 PRO 99 1HD PRO 99 -8.431 -17.217 -5.610 744 HD3 PRO 99 2HD PRO 99 -9.263 -18.732 -5.206 745 H SER 100 H SER 100 -6.169 -20.699 -9.427 746 HA SER 100 HA SER 100 -4.954 -18.169 -10.325 747 HB2 SER 100 1HB SER 100 -3.399 -19.866 -9.281 748 HB3 SER 100 2HB SER 100 -3.760 -20.929 -10.642 749 HG SER 100 HG SER 100 -1.854 -19.640 -10.935 750 H SER 101 H SER 101 -5.862 -21.415 -11.480 751 HA SER 101 HA SER 101 -6.067 -20.405 -14.204 752 HB2 SER 101 1HB SER 101 -5.082 -22.717 -13.418 753 HB3 SER 101 2HB SER 101 -6.774 -23.215 -13.442 754 HG SER 101 HG SER 101 -5.356 -22.057 -15.614 755 H GLY 102 H GLY 102 -7.967 -20.584 -15.469 756 HA2 GLY 102 1HA GLY 102 -10.383 -21.501 -15.211 757 HA3 GLY 102 2HA GLY 102 -10.414 -20.384 -13.854 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 3.490 21.927 -66.533 2 HA2 GLY 1 1HA GLY 1 2.134 21.595 -64.701 3 HA3 GLY 1 2HA GLY 1 2.173 19.874 -65.057 4 H SER 2 H SER 2 3.050 18.652 -63.539 5 HA SER 2 HA SER 2 4.020 18.180 -61.498 6 HB2 SER 2 1HB SER 2 6.500 18.324 -61.641 7 HB3 SER 2 2HB SER 2 5.774 17.624 -63.087 8 HG SER 2 HG SER 2 6.475 19.257 -64.218 9 H SER 3 H SER 3 2.699 20.608 -61.291 10 HA SER 3 HA SER 3 4.483 22.553 -60.107 11 HB2 SER 3 1HB SER 3 2.386 23.119 -61.439 12 HB3 SER 3 2HB SER 3 1.464 22.591 -60.033 13 HG SER 3 HG SER 3 2.508 24.956 -60.440 14 H GLY 4 H GLY 4 1.696 20.652 -58.938 15 HA2 GLY 4 1HA GLY 4 1.237 19.776 -56.866 16 HA3 GLY 4 2HA GLY 4 2.958 19.894 -56.527 17 H SER 5 H SER 5 0.332 20.571 -55.055 18 HA SER 5 HA SER 5 1.394 22.883 -53.708 19 HB2 SER 5 1HB SER 5 -0.448 24.377 -54.082 20 HB3 SER 5 2HB SER 5 0.119 23.840 -55.664 21 HG SER 5 HG SER 5 -1.604 22.363 -55.712 22 H SER 6 H SER 6 0.386 23.285 -51.691 23 HA SER 6 HA SER 6 -1.883 21.824 -50.793 24 HB2 SER 6 1HB SER 6 -0.880 20.229 -49.344 25 HB3 SER 6 2HB SER 6 -0.051 20.049 -50.889 26 HG SER 6 HG SER 6 1.484 21.662 -49.866 27 H GLY 7 H GLY 7 -1.922 21.915 -48.243 28 HA2 GLY 7 1HA GLY 7 -0.448 23.857 -46.863 29 HA3 GLY 7 2HA GLY 7 -1.868 24.642 -47.539 30 H GLU 8 H GLU 8 -3.191 24.978 -45.866 31 HA GLU 8 HA GLU 8 -4.409 24.620 -43.966 32 HB2 GLU 8 1HB GLU 8 -4.721 21.880 -45.204 33 HB3 GLU 8 2HB GLU 8 -5.780 22.597 -43.998 34 HG2 GLU 8 1HG GLU 8 -6.668 24.129 -45.503 35 HG3 GLU 8 2HG GLU 8 -5.333 23.930 -46.637 36 HA PRO 9 HA PRO 9 -0.887 22.138 -42.029 37 HB2 PRO 9 1HB PRO 9 0.295 24.217 -40.742 38 HB3 PRO 9 2HB PRO 9 0.726 23.734 -42.388 39 HG2 PRO 9 1HG PRO 9 -1.070 25.946 -41.472 40 HG3 PRO 9 2HG PRO 9 0.154 25.958 -42.754 41 HD2 PRO 9 1HD PRO 9 -2.491 25.700 -43.270 42 HD3 PRO 9 2HD PRO 9 -1.243 24.932 -44.273 43 H GLU 10 H GLU 10 -0.236 22.455 -39.550 44 HA GLU 10 HA GLU 10 -2.785 22.627 -38.103 45 HB2 GLU 10 1HB GLU 10 -0.212 21.165 -37.546 46 HB3 GLU 10 2HB GLU 10 -1.437 21.388 -36.304 47 HG2 GLU 10 1HG GLU 10 -3.067 20.298 -37.887 48 HG3 GLU 10 2HG GLU 10 -1.677 19.871 -38.883 49 H LYS 11 H LYS 11 -2.337 23.164 -35.647 50 HA LYS 11 HA LYS 11 -0.295 24.993 -34.993 51 HB2 LYS 11 1HB LYS 11 -1.627 27.072 -34.905 52 HB3 LYS 11 2HB LYS 11 -1.410 26.485 -36.548 53 HG2 LYS 11 1HG LYS 11 -3.619 26.988 -36.625 54 HG3 LYS 11 2HG LYS 11 -3.734 25.322 -36.052 55 HD2 LYS 11 1HD LYS 11 -5.167 26.558 -34.653 56 HD3 LYS 11 2HD LYS 11 -3.705 26.299 -33.700 57 HE2 LYS 11 1HE LYS 11 -4.096 28.538 -33.334 58 HE3 LYS 11 2HE LYS 11 -2.989 28.600 -34.704 59 HZ1 LYS 11 1HZ LYS 11 -5.831 29.239 -34.583 60 HZ2 LYS 11 2HZ LYS 11 -5.275 28.509 -36.003 61 HZ3 LYS 11 3HZ LYS 11 -4.595 29.967 -35.481 62 H LEU 12 H LEU 12 -0.362 25.611 -32.827 63 HA LEU 12 HA LEU 12 -2.719 24.955 -31.252 64 HB2 LEU 12 1HB LEU 12 -0.027 23.677 -30.819 65 HB3 LEU 12 2HB LEU 12 -1.336 23.644 -29.641 66 HG LEU 12 HG LEU 12 -1.718 22.537 -32.403 67 HD11 LEU 12 1HD1 LEU 12 -1.132 20.550 -30.374 68 HD12 LEU 12 2HD1 LEU 12 0.245 21.605 -30.695 69 HD13 LEU 12 3HD1 LEU 12 -0.507 20.711 -32.016 70 HD21 LEU 12 1HD2 LEU 12 -3.569 21.491 -31.526 71 HD22 LEU 12 2HD2 LEU 12 -3.558 22.994 -30.604 72 HD23 LEU 12 3HD2 LEU 12 -2.937 21.510 -29.880 73 H GLY 13 H GLY 13 -2.084 25.376 -28.794 74 HA2 GLY 13 1HA GLY 13 -0.121 27.040 -27.926 75 HA3 GLY 13 2HA GLY 13 -1.243 28.134 -28.722 76 H GLN 14 H GLN 14 -0.437 26.727 -25.828 77 HA GLN 14 HA GLN 14 -2.752 27.803 -24.527 78 HB2 GLN 14 1HB GLN 14 -3.515 25.536 -25.337 79 HB3 GLN 14 2HB GLN 14 -2.313 24.829 -24.267 80 HG2 GLN 14 1HG GLN 14 -4.392 24.749 -23.143 81 HG3 GLN 14 2HG GLN 14 -3.431 26.008 -22.369 82 HE21 GLN 14 1HE2 GLN 14 -5.504 26.745 -21.568 83 HE22 GLN 14 2HE2 GLN 14 -6.484 27.762 -22.564 84 H ALA 15 H ALA 15 -2.433 28.138 -22.340 85 HA ALA 15 HA ALA 15 -0.007 27.062 -21.112 86 HB1 ALA 15 1HB ALA 15 0.264 29.547 -20.217 87 HB2 ALA 15 2HB ALA 15 1.015 29.001 -21.717 88 HB3 ALA 15 3HB ALA 15 -0.494 29.912 -21.767 89 H LEU 16 H LEU 16 -0.361 26.446 -19.077 90 HA LEU 16 HA LEU 16 -2.799 27.417 -17.744 91 HB2 LEU 16 1HB LEU 16 -1.253 24.863 -17.324 92 HB3 LEU 16 2HB LEU 16 -2.687 25.345 -16.419 93 HG LEU 16 HG LEU 16 -2.658 24.844 -19.392 94 HD11 LEU 16 1HD1 LEU 16 -3.945 22.971 -17.485 95 HD12 LEU 16 2HD1 LEU 16 -2.193 22.890 -17.667 96 HD13 LEU 16 3HD1 LEU 16 -3.236 22.667 -19.072 97 HD21 LEU 16 1HD2 LEU 16 -4.718 25.662 -19.372 98 HD22 LEU 16 2HD2 LEU 16 -4.526 26.082 -17.670 99 HD23 LEU 16 3HD2 LEU 16 -5.187 24.510 -18.121 100 H THR 17 H THR 17 -1.693 29.296 -16.961 101 HA THR 17 HA THR 17 -0.047 28.709 -14.594 102 HB THR 17 HB THR 17 1.238 30.810 -15.040 103 HG1 THR 17 1HG THR 17 1.155 31.480 -17.323 104 HG21 THR 17 1HG2 THR 17 1.522 28.252 -16.235 105 HG22 THR 17 2HG2 THR 17 2.783 29.420 -15.839 106 HG23 THR 17 3HG2 THR 17 2.014 29.456 -17.425 107 H GLU 18 H GLU 18 -1.050 29.408 -12.835 108 HA GLU 18 HA GLU 18 -2.405 32.000 -12.891 109 HB2 GLU 18 1HB GLU 18 -3.662 29.422 -11.942 110 HB3 GLU 18 2HB GLU 18 -4.305 31.016 -11.574 111 HG2 GLU 18 1HG GLU 18 -4.933 31.415 -13.766 112 HG3 GLU 18 2HG GLU 18 -3.831 30.198 -14.407 113 H VAL 19 H VAL 19 -3.123 32.574 -10.562 114 HA VAL 19 HA VAL 19 -0.799 32.574 -8.937 115 HB VAL 19 HB VAL 19 -2.525 33.491 -7.188 116 HG11 VAL 19 1HG1 VAL 19 -1.030 34.634 -9.320 117 HG12 VAL 19 2HG1 VAL 19 -2.545 35.525 -9.161 118 HG13 VAL 19 3HG1 VAL 19 -1.471 35.354 -7.773 119 HG21 VAL 19 1HG2 VAL 19 -4.371 32.617 -8.878 120 HG22 VAL 19 2HG2 VAL 19 -4.617 34.064 -7.901 121 HG23 VAL 19 3HG2 VAL 19 -4.123 34.212 -9.587 122 H TYR 20 H TYR 20 -0.103 30.802 -7.929 123 HA TYR 20 HA TYR 20 -1.671 29.566 -5.901 124 HB2 TYR 20 1HB TYR 20 -2.302 28.520 -8.281 125 HB3 TYR 20 2HB TYR 20 -0.875 27.549 -7.939 126 HD1 TYR 20 1HD TYR 20 -3.495 28.828 -5.615 127 HD2 TYR 20 2HD TYR 20 -1.684 25.429 -7.424 128 HE1 TYR 20 1HE TYR 20 -4.849 27.354 -4.186 129 HE2 TYR 20 2HE TYR 20 -3.033 23.946 -6.000 130 HH TYR 20 HH TYR 20 -4.245 23.985 -3.929 131 H ALA 21 H ALA 21 -0.447 27.534 -5.055 132 HA ALA 21 HA ALA 21 2.297 27.212 -5.593 133 HB1 ALA 21 1HB ALA 21 3.364 28.685 -4.303 134 HB2 ALA 21 2HB ALA 21 1.831 29.556 -4.226 135 HB3 ALA 21 3HB ALA 21 2.266 28.420 -2.948 136 H LYS 22 H LYS 22 3.287 25.636 -4.256 137 HA LYS 22 HA LYS 22 1.386 23.855 -3.008 138 HB2 LYS 22 1HB LYS 22 3.433 23.246 -4.499 139 HB3 LYS 22 2HB LYS 22 4.357 23.426 -3.013 140 HG2 LYS 22 1HG LYS 22 3.863 21.138 -3.192 141 HG3 LYS 22 2HG LYS 22 2.756 21.769 -1.971 142 HD2 LYS 22 1HD LYS 22 1.010 21.955 -3.727 143 HD3 LYS 22 2HD LYS 22 2.122 21.192 -4.865 144 HE2 LYS 22 1HE LYS 22 1.506 19.850 -2.268 145 HE3 LYS 22 2HE LYS 22 0.345 19.761 -3.592 146 HZ1 LYS 22 1HZ LYS 22 2.436 18.092 -3.243 147 HZ2 LYS 22 2HZ LYS 22 3.052 19.182 -4.380 148 HZ3 LYS 22 3HZ LYS 22 1.626 18.334 -4.708 149 H ALA 23 H ALA 23 0.739 24.344 -1.007 150 HA ALA 23 HA ALA 23 2.449 25.695 0.873 151 HB1 ALA 23 1HB ALA 23 0.565 25.676 2.352 152 HB2 ALA 23 2HB ALA 23 -0.007 26.078 0.732 153 HB3 ALA 23 3HB ALA 23 -0.251 24.454 1.376 154 H ASN 24 H ASN 24 4.144 24.456 1.516 155 HA ASN 24 HA ASN 24 4.284 21.744 1.882 156 HB2 ASN 24 1HB ASN 24 5.731 24.063 3.060 157 HB3 ASN 24 2HB ASN 24 5.958 22.494 3.828 158 HD21 ASN 24 1HD2 ASN 24 5.583 23.517 0.452 159 HD22 ASN 24 2HD2 ASN 24 7.041 22.780 -0.110 160 H SER 25 H SER 25 2.972 20.471 3.004 161 HA SER 25 HA SER 25 2.430 21.118 5.803 162 HB2 SER 25 1HB SER 25 0.368 20.752 3.661 163 HB3 SER 25 2HB SER 25 0.014 20.207 5.301 164 HG SER 25 HG SER 25 0.819 22.465 5.844 165 H PHE 26 H PHE 26 1.720 19.271 7.058 166 HA PHE 26 HA PHE 26 2.974 16.827 6.114 167 HB2 PHE 26 1HB PHE 26 3.128 17.944 8.502 168 HB3 PHE 26 2HB PHE 26 1.645 17.038 8.784 169 HD1 PHE 26 1HD PHE 26 1.919 14.509 7.670 170 HD2 PHE 26 2HD PHE 26 4.976 16.930 9.377 171 HE1 PHE 26 1HE PHE 26 3.243 12.492 8.153 172 HE2 PHE 26 2HE PHE 26 6.305 14.917 9.862 173 HZ PHE 26 HZ PHE 26 5.439 12.694 9.248 174 H THR 27 H THR 27 1.935 15.040 5.477 175 HA THR 27 HA THR 27 -0.980 14.905 5.889 176 HB THR 27 HB THR 27 0.530 14.115 3.390 177 HG1 THR 27 1HG THR 27 -1.107 16.294 4.106 178 HG21 THR 27 1HG2 THR 27 -1.195 12.543 3.551 179 HG22 THR 27 2HG2 THR 27 -1.886 13.815 2.543 180 HG23 THR 27 3HG2 THR 27 -2.318 13.710 4.250 181 H VAL 28 H VAL 28 -1.745 13.035 6.674 182 HA VAL 28 HA VAL 28 0.072 10.715 6.730 183 HB VAL 28 HB VAL 28 -1.887 11.517 8.886 184 HG11 VAL 28 1HG1 VAL 28 -1.326 9.610 10.048 185 HG12 VAL 28 2HG1 VAL 28 -1.315 9.016 8.385 186 HG13 VAL 28 3HG1 VAL 28 0.204 9.409 9.194 187 HG21 VAL 28 1HG2 VAL 28 -0.232 12.952 9.411 188 HG22 VAL 28 2HG2 VAL 28 0.542 11.513 10.074 189 HG23 VAL 28 3HG2 VAL 28 0.971 12.080 8.461 190 H SER 29 H SER 29 -0.705 9.182 5.446 191 HA SER 29 HA SER 29 -3.617 8.725 5.415 192 HB2 SER 29 1HB SER 29 -2.414 9.616 3.268 193 HB3 SER 29 2HB SER 29 -1.863 7.949 3.107 194 HG SER 29 HG SER 29 -3.748 7.544 2.300 195 H SER 30 H SER 30 -4.234 6.474 4.855 196 HA SER 30 HA SER 30 -2.266 4.538 5.886 197 HB2 SER 30 1HB SER 30 -4.279 3.276 6.778 198 HB3 SER 30 2HB SER 30 -3.912 4.794 7.597 199 HG SER 30 HG SER 30 -6.198 4.160 6.664 200 H VAL 31 H VAL 31 -2.441 2.374 5.081 201 HA VAL 31 HA VAL 31 -3.897 2.157 2.528 202 HB VAL 31 HB VAL 31 -1.109 1.155 3.119 203 HG11 VAL 31 1HG1 VAL 31 -3.018 0.021 1.432 204 HG12 VAL 31 2HG1 VAL 31 -1.952 0.943 0.369 205 HG13 VAL 31 3HG1 VAL 31 -1.282 -0.290 1.438 206 HG21 VAL 31 1HG2 VAL 31 -0.551 3.211 2.438 207 HG22 VAL 31 2HG2 VAL 31 -1.028 2.671 0.828 208 HG23 VAL 31 3HG2 VAL 31 -2.176 3.548 1.840 209 H ALA 32 H ALA 32 -5.370 0.607 2.640 210 HA ALA 32 HA ALA 32 -5.593 -1.265 4.704 211 HB1 ALA 32 1HB ALA 32 -7.319 -2.321 3.341 212 HB2 ALA 32 2HB ALA 32 -7.485 -0.564 3.328 213 HB3 ALA 32 3HB ALA 32 -6.787 -1.395 1.938 214 H ALA 33 H ALA 33 -4.019 -2.702 5.109 215 HA ALA 33 HA ALA 33 -3.368 -4.626 3.003 216 HB1 ALA 33 1HB ALA 33 -1.569 -2.624 3.886 217 HB2 ALA 33 2HB ALA 33 -0.987 -4.176 4.492 218 HB3 ALA 33 3HB ALA 33 -1.269 -3.952 2.764 219 HA PRO 34 HA PRO 34 -4.037 -7.508 6.268 220 HB2 PRO 34 1HB PRO 34 -2.790 -9.661 5.182 221 HB3 PRO 34 2HB PRO 34 -4.356 -9.071 4.614 222 HG2 PRO 34 1HG PRO 34 -1.630 -8.608 3.469 223 HG3 PRO 34 2HG PRO 34 -3.147 -8.982 2.630 224 HD2 PRO 34 1HD PRO 34 -2.147 -6.471 2.781 225 HD3 PRO 34 2HD PRO 34 -3.891 -6.804 2.738 226 H SER 35 H SER 35 -2.676 -9.279 7.454 227 HA SER 35 HA SER 35 0.008 -8.186 7.994 228 HB2 SER 35 1HB SER 35 -1.902 -9.367 10.025 229 HB3 SER 35 2HB SER 35 -0.296 -8.721 10.360 230 HG SER 35 HG SER 35 -1.393 -6.767 9.186 231 H TRP 36 H TRP 36 -1.981 -10.955 7.462 232 HA TRP 36 HA TRP 36 -0.334 -12.991 8.447 233 HB2 TRP 36 1HB TRP 36 -1.517 -14.454 6.814 234 HB3 TRP 36 2HB TRP 36 -2.608 -13.455 7.770 235 HD1 TRP 36 HD TRP 36 -3.909 -11.485 6.491 236 HE1 TRP 36 1HE TRP 36 -4.433 -11.121 3.998 237 HE3 TRP 36 3HE TRP 36 -0.586 -14.803 4.470 238 HZ2 TRP 36 2HZ TRP 36 -3.554 -12.110 1.504 239 HZ3 TRP 36 3HZ TRP 36 -0.491 -15.034 2.023 240 HH2 TRP 36 HH TRP 36 -1.946 -13.714 0.572 241 H LEU 37 H LEU 37 0.209 -10.825 5.916 242 HA LEU 37 HA LEU 37 2.295 -12.575 4.787 243 HB2 LEU 37 1HB LEU 37 2.099 -11.044 2.765 244 HB3 LEU 37 2HB LEU 37 0.798 -12.199 3.040 245 HG LEU 37 HG LEU 37 -0.349 -10.162 4.228 246 HD11 LEU 37 1HD1 LEU 37 0.418 -8.090 3.815 247 HD12 LEU 37 2HD1 LEU 37 0.972 -8.503 2.193 248 HD13 LEU 37 3HD1 LEU 37 1.962 -8.913 3.593 249 HD21 LEU 37 1HD2 LEU 37 -0.621 -9.520 1.481 250 HD22 LEU 37 2HD2 LEU 37 -1.700 -10.474 2.498 251 HD23 LEU 37 3HD2 LEU 37 -0.398 -11.266 1.610 252 H HIS 38 H HIS 38 2.229 -10.536 7.062 253 HA HIS 38 HA HIS 38 3.728 -8.278 6.329 254 HB2 HIS 38 1HB HIS 38 3.166 -9.706 8.887 255 HB3 HIS 38 2HB HIS 38 4.473 -8.525 8.868 256 HD2 HIS 38 2HD HIS 38 2.214 -6.849 6.598 257 HE1 HIS 38 1HE HIS 38 0.593 -5.910 10.404 258 HE2 HIS 38 2HE HIS 38 0.550 -5.393 7.939 259 H ARG 39 H ARG 39 4.657 -11.566 7.038 260 HA ARG 39 HA ARG 39 7.411 -11.126 7.472 261 HB2 ARG 39 1HB ARG 39 6.088 -13.597 6.338 262 HB3 ARG 39 2HB ARG 39 7.675 -13.510 7.090 263 HG2 ARG 39 1HG ARG 39 6.272 -12.573 9.122 264 HG3 ARG 39 2HG ARG 39 4.982 -13.483 8.331 265 HD2 ARG 39 1HD ARG 39 7.639 -14.767 8.794 266 HD3 ARG 39 2HD ARG 39 6.492 -14.629 10.125 267 HE ARG 39 HE ARG 39 6.352 -16.437 7.928 268 HH11 ARG 39 1HH1 ARG 39 4.419 -14.580 10.149 269 HH12 ARG 39 2HH1 ARG 39 3.052 -15.639 10.049 270 HH21 ARG 39 1HH2 ARG 39 4.558 -17.840 7.788 271 HH22 ARG 39 2HH2 ARG 39 3.132 -17.494 8.706 272 H PHE 40 H PHE 40 5.493 -11.605 4.567 273 HA PHE 40 HA PHE 40 7.835 -11.725 2.866 274 HB2 PHE 40 1HB PHE 40 4.870 -11.766 2.314 275 HB3 PHE 40 2HB PHE 40 6.069 -11.714 1.025 276 HD1 PHE 40 1HD PHE 40 4.968 -13.702 3.956 277 HD2 PHE 40 2HD PHE 40 7.076 -13.669 0.258 278 HE1 PHE 40 1HE PHE 40 5.173 -16.152 4.053 279 HE2 PHE 40 2HE PHE 40 7.283 -16.118 0.350 280 HZ PHE 40 HZ PHE 40 6.330 -17.364 2.249 281 H ILE 41 H ILE 41 5.213 -9.461 3.578 282 HA ILE 41 HA ILE 41 5.908 -7.501 1.683 283 HB ILE 41 HB ILE 41 3.773 -7.723 3.165 284 HG12 ILE 41 1HG1 ILE 41 4.842 -4.931 2.779 285 HG13 ILE 41 2HG1 ILE 41 4.398 -5.950 1.413 286 HG21 ILE 41 1HG2 ILE 41 5.248 -5.734 4.859 287 HG22 ILE 41 2HG2 ILE 41 3.708 -6.530 5.177 288 HG23 ILE 41 3HG2 ILE 41 5.208 -7.450 5.263 289 HD11 ILE 41 1HD1 ILE 41 2.409 -4.951 1.657 290 HD12 ILE 41 2HD1 ILE 41 2.175 -6.155 2.925 291 HD13 ILE 41 3HD1 ILE 41 2.710 -4.527 3.342 292 H ILE 42 H ILE 42 7.080 -8.176 4.912 293 HA ILE 42 HA ILE 42 8.577 -5.711 5.093 294 HB ILE 42 HB ILE 42 8.558 -8.165 6.850 295 HG12 ILE 42 1HG1 ILE 42 7.509 -5.389 7.415 296 HG13 ILE 42 2HG1 ILE 42 6.506 -6.687 6.775 297 HG21 ILE 42 1HG2 ILE 42 9.630 -5.851 8.137 298 HG22 ILE 42 2HG2 ILE 42 10.377 -7.427 7.882 299 HG23 ILE 42 3HG2 ILE 42 10.536 -6.168 6.657 300 HD11 ILE 42 1HD1 ILE 42 7.831 -6.506 9.456 301 HD12 ILE 42 2HD1 ILE 42 6.115 -6.664 9.081 302 HD13 ILE 42 3HD1 ILE 42 7.205 -8.024 8.812 303 H GLY 43 H GLY 43 9.363 -9.171 4.771 304 HA2 GLY 43 1HA GLY 43 11.061 -9.851 3.179 305 HA3 GLY 43 2HA GLY 43 11.915 -8.357 3.535 306 H LYS 44 H LYS 44 12.391 -11.437 3.796 307 HA LYS 44 HA LYS 44 12.740 -12.270 6.358 308 HB2 LYS 44 1HB LYS 44 14.399 -12.673 3.896 309 HB3 LYS 44 2HB LYS 44 14.941 -13.341 5.430 310 HG2 LYS 44 1HG LYS 44 12.149 -13.886 4.581 311 HG3 LYS 44 2HG LYS 44 13.457 -14.729 3.747 312 HD2 LYS 44 1HD LYS 44 12.966 -16.182 5.479 313 HD3 LYS 44 2HD LYS 44 14.302 -15.245 6.152 314 HE2 LYS 44 1HE LYS 44 11.532 -14.261 6.595 315 HE3 LYS 44 2HE LYS 44 12.064 -15.673 7.505 316 HZ1 LYS 44 1HZ LYS 44 12.458 -13.200 8.340 317 HZ2 LYS 44 2HZ LYS 44 13.880 -13.398 7.446 318 HZ3 LYS 44 3HZ LYS 44 13.520 -14.464 8.710 319 H LYS 45 H LYS 45 14.916 -10.134 4.550 320 HA LYS 45 HA LYS 45 16.187 -9.410 7.109 321 HB2 LYS 45 1HB LYS 45 17.572 -10.718 5.335 322 HB3 LYS 45 2HB LYS 45 17.618 -9.181 4.480 323 HG2 LYS 45 1HG LYS 45 18.657 -8.129 6.425 324 HG3 LYS 45 2HG LYS 45 18.611 -9.671 7.282 325 HD2 LYS 45 1HD LYS 45 20.015 -9.301 4.644 326 HD3 LYS 45 2HD LYS 45 20.816 -9.067 6.200 327 HE2 LYS 45 1HE LYS 45 19.421 -11.604 5.358 328 HE3 LYS 45 2HE LYS 45 21.155 -11.327 5.214 329 HZ1 LYS 45 1HZ LYS 45 19.686 -12.169 7.467 330 HZ2 LYS 45 2HZ LYS 45 20.455 -10.705 7.825 331 HZ3 LYS 45 3HZ LYS 45 21.362 -12.028 7.289 332 H GLY 46 H GLY 46 13.930 -8.086 6.290 333 HA2 GLY 46 1HA GLY 46 13.090 -6.036 5.625 334 HA3 GLY 46 2HA GLY 46 14.485 -5.446 6.517 335 H GLN 47 H GLN 47 13.562 -6.690 3.315 336 HA GLN 47 HA GLN 47 15.583 -4.895 2.144 337 HB2 GLN 47 1HB GLN 47 14.547 -7.578 1.294 338 HB3 GLN 47 2HB GLN 47 15.233 -6.479 0.105 339 HG2 GLN 47 1HG GLN 47 16.579 -7.768 2.452 340 HG3 GLN 47 2HG GLN 47 16.988 -7.888 0.741 341 HE21 GLN 47 1HE2 GLN 47 18.610 -7.096 3.061 342 HE22 GLN 47 2HE2 GLN 47 19.230 -5.528 2.684 343 H ASN 48 H ASN 48 12.349 -6.269 1.592 344 HA ASN 48 HA ASN 48 11.629 -4.656 -0.572 345 HB2 ASN 48 1HB ASN 48 9.900 -5.908 1.573 346 HB3 ASN 48 2HB ASN 48 9.276 -5.182 0.095 347 HD21 ASN 48 1HD2 ASN 48 11.208 -7.785 1.408 348 HD22 ASN 48 2HD2 ASN 48 11.076 -8.830 0.037 349 H LEU 49 H LEU 49 11.312 -4.119 2.907 350 HA LEU 49 HA LEU 49 9.910 -1.640 2.620 351 HB2 LEU 49 1HB LEU 49 11.158 -3.133 4.881 352 HB3 LEU 49 2HB LEU 49 10.720 -1.440 5.102 353 HG LEU 49 HG LEU 49 8.810 -3.643 4.322 354 HD11 LEU 49 1HD1 LEU 49 8.980 -2.203 6.956 355 HD12 LEU 49 2HD1 LEU 49 9.768 -3.752 6.655 356 HD13 LEU 49 3HD1 LEU 49 8.013 -3.619 6.545 357 HD21 LEU 49 1HD2 LEU 49 7.656 -1.243 5.422 358 HD22 LEU 49 2HD2 LEU 49 7.303 -2.066 3.902 359 HD23 LEU 49 3HD2 LEU 49 8.608 -0.882 3.982 360 H ALA 50 H ALA 50 13.230 -2.486 3.599 361 HA ALA 50 HA ALA 50 14.315 -0.022 4.013 362 HB1 ALA 50 1HB ALA 50 16.260 -1.116 4.058 363 HB2 ALA 50 2HB ALA 50 15.316 -2.564 3.709 364 HB3 ALA 50 3HB ALA 50 16.085 -1.675 2.395 365 H LYS 51 H LYS 51 13.734 -1.573 0.887 366 HA LYS 51 HA LYS 51 15.013 0.289 -0.753 367 HB2 LYS 51 1HB LYS 51 13.805 -2.021 -1.251 368 HB3 LYS 51 2HB LYS 51 12.465 -0.962 -1.674 369 HG2 LYS 51 1HG LYS 51 13.669 -1.446 -3.664 370 HG3 LYS 51 2HG LYS 51 14.001 0.233 -3.235 371 HD2 LYS 51 1HD LYS 51 16.141 -0.401 -2.287 372 HD3 LYS 51 2HD LYS 51 15.801 -2.105 -2.601 373 HE2 LYS 51 1HE LYS 51 15.536 -1.339 -5.062 374 HE3 LYS 51 2HE LYS 51 16.418 0.094 -4.539 375 HZ1 LYS 51 1HZ LYS 51 17.510 -2.285 -5.331 376 HZ2 LYS 51 2HZ LYS 51 17.667 -2.312 -3.647 377 HZ3 LYS 51 3HZ LYS 51 18.319 -1.029 -4.537 378 H ILE 52 H ILE 52 11.522 0.094 -0.028 379 HA ILE 52 HA ILE 52 10.700 2.417 -1.246 380 HB ILE 52 HB ILE 52 9.651 1.328 1.369 381 HG12 ILE 52 1HG1 ILE 52 8.630 0.795 -1.423 382 HG13 ILE 52 2HG1 ILE 52 9.745 -0.279 -0.587 383 HG21 ILE 52 1HG2 ILE 52 8.284 3.064 -0.682 384 HG22 ILE 52 2HG2 ILE 52 7.595 2.476 0.830 385 HG23 ILE 52 3HG2 ILE 52 8.928 3.631 0.860 386 HD11 ILE 52 1HD1 ILE 52 6.919 0.396 0.172 387 HD12 ILE 52 2HD1 ILE 52 7.576 -1.169 -0.308 388 HD13 ILE 52 3HD1 ILE 52 8.035 -0.458 1.240 389 H THR 53 H THR 53 11.510 2.113 2.217 390 HA THR 53 HA THR 53 11.348 4.767 2.925 391 HB THR 53 HB THR 53 11.683 3.069 4.609 392 HG1 THR 53 1HG THR 53 12.975 4.286 5.875 393 HG21 THR 53 1HG2 THR 53 13.129 1.546 3.394 394 HG22 THR 53 2HG2 THR 53 13.894 2.000 4.918 395 HG23 THR 53 3HG2 THR 53 14.434 2.732 3.407 396 H GLN 54 H GLN 54 14.061 3.061 1.437 397 HA GLN 54 HA GLN 54 15.961 5.116 1.623 398 HB2 GLN 54 1HB GLN 54 16.349 2.691 0.975 399 HB3 GLN 54 2HB GLN 54 15.783 3.122 -0.633 400 HG2 GLN 54 1HG GLN 54 18.071 3.276 -0.844 401 HG3 GLN 54 2HG GLN 54 17.602 4.947 -0.536 402 HE21 GLN 54 1HE2 GLN 54 19.240 2.160 0.675 403 HE22 GLN 54 2HE2 GLN 54 19.952 2.915 2.056 404 H GLN 55 H GLN 55 13.700 4.298 -0.996 405 HA GLN 55 HA GLN 55 14.487 6.456 -2.669 406 HB2 GLN 55 1HB GLN 55 13.335 4.359 -3.434 407 HB3 GLN 55 2HB GLN 55 11.856 4.974 -2.708 408 HG2 GLN 55 1HG GLN 55 11.530 5.669 -4.837 409 HG3 GLN 55 2HG GLN 55 12.410 7.067 -4.220 410 HE21 GLN 55 1HE2 GLN 55 12.931 3.946 -5.808 411 HE22 GLN 55 2HE2 GLN 55 14.250 4.471 -6.793 412 H MET 56 H MET 56 12.178 6.102 -0.083 413 HA MET 56 HA MET 56 11.554 8.962 -0.322 414 HB2 MET 56 1HB MET 56 9.591 6.714 0.127 415 HB3 MET 56 2HB MET 56 9.216 8.399 0.465 416 HG2 MET 56 1HG MET 56 9.289 8.994 -1.783 417 HG3 MET 56 2HG MET 56 10.187 7.547 -2.232 418 HE1 MET 56 1HE MET 56 7.619 4.835 -1.344 419 HE2 MET 56 2HE MET 56 8.438 4.978 -2.899 420 HE3 MET 56 3HE MET 56 9.313 5.323 -1.405 421 HA PRO 57 HA PRO 57 13.081 7.984 3.915 422 HB2 PRO 57 1HB PRO 57 14.486 10.292 4.171 423 HB3 PRO 57 2HB PRO 57 15.144 8.851 3.388 424 HG2 PRO 57 1HG PRO 57 13.944 11.298 2.150 425 HG3 PRO 57 2HG PRO 57 15.391 10.395 1.667 426 HD2 PRO 57 1HD PRO 57 13.009 10.109 0.412 427 HD3 PRO 57 2HD PRO 57 14.170 8.775 0.574 428 H LYS 58 H LYS 58 11.749 10.977 2.575 429 HA LYS 58 HA LYS 58 11.034 12.233 4.963 430 HB2 LYS 58 1HB LYS 58 10.053 12.386 2.144 431 HB3 LYS 58 2HB LYS 58 9.137 13.199 3.405 432 HG2 LYS 58 1HG LYS 58 12.067 13.669 3.265 433 HG3 LYS 58 2HG LYS 58 11.028 14.435 2.061 434 HD2 LYS 58 1HD LYS 58 9.698 15.443 3.846 435 HD3 LYS 58 2HD LYS 58 10.719 14.664 5.056 436 HE2 LYS 58 1HE LYS 58 12.585 15.977 4.475 437 HE3 LYS 58 2HE LYS 58 11.842 16.510 2.967 438 HZ1 LYS 58 1HZ LYS 58 11.489 18.330 4.260 439 HZ2 LYS 58 2HZ LYS 58 11.380 17.450 5.700 440 HZ3 LYS 58 3HZ LYS 58 10.074 17.477 4.626 441 H VAL 59 H VAL 59 9.365 9.784 3.063 442 HA VAL 59 HA VAL 59 6.989 9.866 4.694 443 HB VAL 59 HB VAL 59 7.844 7.830 2.631 444 HG11 VAL 59 1HG1 VAL 59 5.734 6.886 2.745 445 HG12 VAL 59 2HG1 VAL 59 6.083 7.231 4.440 446 HG13 VAL 59 3HG1 VAL 59 5.028 8.305 3.519 447 HG21 VAL 59 1HG2 VAL 59 5.985 10.193 2.392 448 HG22 VAL 59 2HG2 VAL 59 7.599 10.073 1.691 449 HG23 VAL 59 3HG2 VAL 59 6.312 9.004 1.131 450 H HIS 60 H HIS 60 6.360 8.427 6.257 451 HA HIS 60 HA HIS 60 8.441 6.572 7.210 452 HB2 HIS 60 1HB HIS 60 6.535 8.367 8.646 453 HB3 HIS 60 2HB HIS 60 7.003 6.854 9.416 454 HD1 HIS 60 1HD HIS 60 9.873 6.595 9.166 455 HD2 HIS 60 2HD HIS 60 8.124 10.345 9.540 456 HE1 HIS 60 1HE HIS 60 11.700 8.108 10.002 457 H ILE 61 H ILE 61 7.980 4.484 7.069 458 HA ILE 61 HA ILE 61 5.227 3.664 6.544 459 HB ILE 61 HB ILE 61 7.742 1.993 6.464 460 HG12 ILE 61 1HG1 ILE 61 6.258 3.004 4.055 461 HG13 ILE 61 2HG1 ILE 61 7.485 4.002 4.828 462 HG21 ILE 61 1HG2 ILE 61 6.374 0.430 5.166 463 HG22 ILE 61 2HG2 ILE 61 5.718 0.684 6.783 464 HG23 ILE 61 3HG2 ILE 61 4.971 1.474 5.393 465 HD11 ILE 61 1HD1 ILE 61 8.642 1.475 4.499 466 HD12 ILE 61 2HD1 ILE 61 7.800 1.837 2.991 467 HD13 ILE 61 3HD1 ILE 61 9.008 2.958 3.619 468 H GLU 62 H GLU 62 4.020 2.443 7.893 469 HA GLU 62 HA GLU 62 5.282 1.380 10.323 470 HB2 GLU 62 1HB GLU 62 4.221 3.544 10.865 471 HB3 GLU 62 2HB GLU 62 2.689 2.931 10.259 472 HG2 GLU 62 1HG GLU 62 2.694 2.816 12.649 473 HG3 GLU 62 2HG GLU 62 2.740 1.180 11.995 474 H PHE 63 H PHE 63 4.389 -0.495 11.140 475 HA PHE 63 HA PHE 63 2.222 -1.696 9.545 476 HB2 PHE 63 1HB PHE 63 4.887 -2.784 10.306 477 HB3 PHE 63 2HB PHE 63 3.524 -3.899 10.319 478 HD1 PHE 63 2HD PHE 63 2.028 -3.841 8.162 479 HD2 PHE 63 1HD PHE 63 6.059 -2.487 8.354 480 HE1 PHE 63 2HE PHE 63 2.235 -4.123 5.726 481 HE2 PHE 63 1HE PHE 63 6.272 -2.766 5.919 482 HZ PHE 63 HZ PHE 63 4.359 -3.586 4.601 483 H THR 64 H THR 64 0.585 -2.617 10.645 484 HA THR 64 HA THR 64 0.907 -3.112 13.518 485 HB THR 64 HB THR 64 -1.461 -1.627 12.365 486 HG1 THR 64 1HG THR 64 0.416 -0.502 14.149 487 HG21 THR 64 1HG2 THR 64 -0.684 -2.066 15.248 488 HG22 THR 64 2HG2 THR 64 -1.857 -3.062 14.385 489 HG23 THR 64 3HG2 THR 64 -2.171 -1.345 14.634 490 H GLU 65 H GLU 65 0.345 -5.141 13.912 491 HA GLU 65 HA GLU 65 -0.993 -6.795 12.070 492 HB2 GLU 65 1HB GLU 65 -0.253 -7.076 14.964 493 HB3 GLU 65 2HB GLU 65 -1.241 -8.300 14.179 494 HG2 GLU 65 1HG GLU 65 0.477 -8.835 12.644 495 HG3 GLU 65 2HG GLU 65 1.421 -7.419 13.104 496 H GLY 66 H GLY 66 -2.120 -5.502 15.202 497 HA2 GLY 66 1HA GLY 66 -4.700 -6.460 15.183 498 HA3 GLY 66 2HA GLY 66 -4.231 -4.931 15.909 499 H GLU 67 H GLU 67 -4.061 -3.061 14.369 500 HA GLU 67 HA GLU 67 -6.490 -2.615 13.099 501 HB2 GLU 67 1HB GLU 67 -3.823 -1.258 12.685 502 HB3 GLU 67 2HB GLU 67 -5.341 -0.660 12.030 503 HG2 GLU 67 1HG GLU 67 -5.052 -1.161 14.960 504 HG3 GLU 67 2HG GLU 67 -4.436 0.324 14.236 505 H ASP 68 H ASP 68 -3.755 -4.335 11.998 506 HA ASP 68 HA ASP 68 -3.157 -5.249 9.993 507 HB2 ASP 68 1HB ASP 68 -6.154 -5.400 10.007 508 HB3 ASP 68 2HB ASP 68 -5.246 -5.980 8.613 509 H LYS 69 H LYS 69 -2.759 -2.614 9.847 510 HA LYS 69 HA LYS 69 -3.258 -2.062 7.048 511 HB2 LYS 69 1HB LYS 69 -4.344 0.021 7.318 512 HB3 LYS 69 2HB LYS 69 -5.207 -1.098 8.366 513 HG2 LYS 69 1HG LYS 69 -4.237 -0.190 10.308 514 HG3 LYS 69 2HG LYS 69 -3.018 0.688 9.381 515 HD2 LYS 69 1HD LYS 69 -4.554 2.279 8.640 516 HD3 LYS 69 2HD LYS 69 -5.939 1.244 8.995 517 HE2 LYS 69 1HE LYS 69 -6.044 2.747 10.733 518 HE3 LYS 69 2HE LYS 69 -5.092 1.452 11.457 519 HZ1 LYS 69 1HZ LYS 69 -4.265 3.827 11.736 520 HZ2 LYS 69 2HZ LYS 69 -3.800 3.744 10.111 521 HZ3 LYS 69 3HZ LYS 69 -3.136 2.670 11.237 522 H ILE 70 H ILE 70 -2.028 -0.150 6.294 523 HA ILE 70 HA ILE 70 0.446 0.135 7.860 524 HB ILE 70 HB ILE 70 0.033 0.584 4.902 525 HG12 ILE 70 1HG1 ILE 70 1.541 -1.655 6.256 526 HG13 ILE 70 2HG1 ILE 70 -0.129 -1.806 5.723 527 HG21 ILE 70 1HG2 ILE 70 1.970 1.655 6.522 528 HG22 ILE 70 2HG2 ILE 70 2.747 0.202 5.894 529 HG23 ILE 70 3HG2 ILE 70 2.106 1.410 4.780 530 HD11 ILE 70 1HD1 ILE 70 1.919 -0.906 3.768 531 HD12 ILE 70 2HD1 ILE 70 1.848 -2.610 4.217 532 HD13 ILE 70 3HD1 ILE 70 0.436 -1.824 3.511 533 H THR 71 H THR 71 0.820 2.023 8.798 534 HA THR 71 HA THR 71 -0.746 4.355 7.994 535 HB THR 71 HB THR 71 1.109 4.159 10.366 536 HG1 THR 71 1HG THR 71 -1.692 3.790 10.513 537 HG21 THR 71 1HG2 THR 71 0.601 6.372 10.287 538 HG22 THR 71 2HG2 THR 71 -0.862 5.823 11.103 539 HG23 THR 71 3HG2 THR 71 -0.877 6.112 9.364 540 H LEU 72 H LEU 72 0.088 5.915 6.778 541 HA LEU 72 HA LEU 72 3.014 6.065 6.503 542 HB2 LEU 72 1HB LEU 72 0.781 6.776 4.623 543 HB3 LEU 72 2HB LEU 72 2.437 7.322 4.370 544 HG LEU 72 HG LEU 72 2.175 5.442 2.987 545 HD11 LEU 72 1HD1 LEU 72 3.818 3.957 3.762 546 HD12 LEU 72 2HD1 LEU 72 3.402 4.242 5.451 547 HD13 LEU 72 3HD1 LEU 72 4.205 5.503 4.516 548 HD21 LEU 72 1HD2 LEU 72 0.975 4.000 5.349 549 HD22 LEU 72 2HD2 LEU 72 1.278 3.301 3.758 550 HD23 LEU 72 3HD2 LEU 72 0.096 4.599 3.942 551 H GLU 73 H GLU 73 4.057 8.053 6.594 552 HA GLU 73 HA GLU 73 2.446 10.384 7.348 553 HB2 GLU 73 1HB GLU 73 4.753 9.235 8.915 554 HB3 GLU 73 2HB GLU 73 4.211 10.896 9.109 555 HG2 GLU 73 1HG GLU 73 1.995 10.094 9.760 556 HG3 GLU 73 2HG GLU 73 2.550 8.430 9.582 557 H GLY 74 H GLY 74 3.039 12.157 6.279 558 HA2 GLY 74 1HA GLY 74 5.428 13.291 5.845 559 HA3 GLY 74 2HA GLY 74 5.404 12.055 4.596 560 HA PRO 75 HA PRO 75 3.468 15.941 2.923 561 HB2 PRO 75 1HB PRO 75 4.952 16.000 0.652 562 HB3 PRO 75 2HB PRO 75 5.482 16.744 2.166 563 HG2 PRO 75 1HG PRO 75 6.241 14.098 0.987 564 HG3 PRO 75 2HG PRO 75 7.271 15.310 1.770 565 HD2 PRO 75 1HD PRO 75 6.407 13.088 3.051 566 HD3 PRO 75 2HD PRO 75 6.680 14.629 3.890 567 H THR 76 H THR 76 1.646 15.750 1.787 568 HA THR 76 HA THR 76 0.524 13.487 0.829 569 HB THR 76 HB THR 76 -0.727 15.571 0.963 570 HG1 THR 76 1HG THR 76 -1.296 13.814 -0.597 571 HG21 THR 76 1HG2 THR 76 1.330 16.789 -0.235 572 HG22 THR 76 2HG2 THR 76 -0.303 17.454 -0.245 573 HG23 THR 76 3HG2 THR 76 0.293 16.556 -1.641 574 H GLU 77 H GLU 77 2.962 15.404 -0.761 575 HA GLU 77 HA GLU 77 2.678 14.359 -3.367 576 HB2 GLU 77 1HB GLU 77 3.943 16.390 -2.959 577 HB3 GLU 77 2HB GLU 77 5.097 15.509 -1.968 578 HG2 GLU 77 1HG GLU 77 5.862 16.056 -4.285 579 HG3 GLU 77 2HG GLU 77 5.966 14.355 -3.837 580 H ASP 78 H ASP 78 5.048 13.541 -0.828 581 HA ASP 78 HA ASP 78 5.993 11.238 -2.231 582 HB2 ASP 78 1HB ASP 78 6.372 12.060 0.657 583 HB3 ASP 78 2HB ASP 78 7.260 10.777 -0.162 584 H VAL 79 H VAL 79 3.997 11.683 0.683 585 HA VAL 79 HA VAL 79 3.520 9.093 1.403 586 HB VAL 79 HB VAL 79 1.495 11.335 1.361 587 HG11 VAL 79 1HG1 VAL 79 1.442 8.973 3.207 588 HG12 VAL 79 2HG1 VAL 79 0.149 10.110 2.816 589 HG13 VAL 79 3HG1 VAL 79 0.663 8.915 1.625 590 HG21 VAL 79 1HG2 VAL 79 3.596 11.802 2.596 591 HG22 VAL 79 2HG2 VAL 79 2.170 11.764 3.632 592 HG23 VAL 79 3HG2 VAL 79 3.277 10.390 3.603 593 H SER 80 H SER 80 1.938 10.908 -1.188 594 HA SER 80 HA SER 80 0.011 8.968 -1.855 595 HB2 SER 80 1HB SER 80 -0.257 11.215 -2.666 596 HB3 SER 80 2HB SER 80 1.291 11.153 -3.506 597 HG SER 80 HG SER 80 -0.532 9.186 -4.189 598 H VAL 81 H VAL 81 3.338 9.457 -2.899 599 HA VAL 81 HA VAL 81 3.292 7.483 -4.952 600 HB VAL 81 HB VAL 81 5.653 8.632 -3.455 601 HG11 VAL 81 1HG1 VAL 81 7.022 7.818 -5.248 602 HG12 VAL 81 2HG1 VAL 81 6.082 6.467 -4.611 603 HG13 VAL 81 3HG1 VAL 81 5.608 7.235 -6.127 604 HG21 VAL 81 1HG2 VAL 81 5.752 10.339 -4.981 605 HG22 VAL 81 2HG2 VAL 81 4.902 9.425 -6.227 606 HG23 VAL 81 3HG2 VAL 81 4.005 10.116 -4.874 607 H ALA 82 H ALA 82 4.674 7.494 -1.665 608 HA ALA 82 HA ALA 82 5.569 4.856 -1.633 609 HB1 ALA 82 1HB ALA 82 4.501 5.964 0.896 610 HB2 ALA 82 2HB ALA 82 6.055 5.203 0.555 611 HB3 ALA 82 3HB ALA 82 5.774 6.881 0.090 612 H GLN 83 H GLN 83 2.523 6.143 -0.288 613 HA GLN 83 HA GLN 83 1.385 3.767 0.524 614 HB2 GLN 83 1HB GLN 83 -0.684 4.888 0.582 615 HB3 GLN 83 2HB GLN 83 0.515 6.147 0.839 616 HG2 GLN 83 1HG GLN 83 0.253 6.994 -1.331 617 HG3 GLN 83 2HG GLN 83 -0.607 5.555 -1.876 618 HE21 GLN 83 1HE2 GLN 83 -2.770 5.425 -1.609 619 HE22 GLN 83 2HE2 GLN 83 -3.741 6.676 -0.918 620 H GLU 84 H GLU 84 1.649 5.093 -2.700 621 HA GLU 84 HA GLU 84 -0.199 3.263 -3.900 622 HB2 GLU 84 1HB GLU 84 0.674 5.595 -4.741 623 HB3 GLU 84 2HB GLU 84 1.962 4.633 -5.454 624 HG2 GLU 84 1HG GLU 84 -0.987 4.398 -5.990 625 HG3 GLU 84 2HG GLU 84 0.255 4.992 -7.090 626 H GLN 85 H GLN 85 3.320 3.436 -3.581 627 HA GLN 85 HA GLN 85 3.995 1.268 -5.202 628 HB2 GLN 85 1HB GLN 85 5.376 2.228 -2.690 629 HB3 GLN 85 2HB GLN 85 6.086 1.169 -3.902 630 HG2 GLN 85 1HG GLN 85 5.022 3.794 -4.788 631 HG3 GLN 85 2HG GLN 85 6.534 3.765 -3.882 632 HE21 GLN 85 1HE2 GLN 85 7.827 4.380 -5.562 633 HE22 GLN 85 2HE2 GLN 85 8.128 3.387 -6.942 634 H ILE 86 H ILE 86 3.041 1.380 -1.805 635 HA ILE 86 HA ILE 86 3.522 -1.373 -1.283 636 HB ILE 86 HB ILE 86 1.701 0.558 0.159 637 HG12 ILE 86 1HG1 ILE 86 4.476 -0.336 0.943 638 HG13 ILE 86 2HG1 ILE 86 4.175 1.127 0.010 639 HG21 ILE 86 1HG2 ILE 86 2.184 -2.275 0.491 640 HG22 ILE 86 2HG2 ILE 86 2.602 -1.366 1.943 641 HG23 ILE 86 3HG2 ILE 86 0.981 -1.239 1.258 642 HD11 ILE 86 1HD1 ILE 86 2.665 0.816 2.529 643 HD12 ILE 86 2HD1 ILE 86 4.398 1.119 2.656 644 HD13 ILE 86 3HD1 ILE 86 3.365 2.256 1.789 645 H GLU 87 H GLU 87 0.667 0.475 -2.251 646 HA GLU 87 HA GLU 87 -1.244 -1.546 -2.007 647 HB2 GLU 87 1HB GLU 87 -1.036 0.901 -3.731 648 HB3 GLU 87 2HB GLU 87 -2.376 -0.219 -3.942 649 HG2 GLU 87 1HG GLU 87 -2.587 0.088 -1.332 650 HG3 GLU 87 2HG GLU 87 -1.760 1.605 -1.684 651 H GLY 88 H GLY 88 1.123 -0.912 -4.507 652 HA2 GLY 88 1HA GLY 88 0.001 -2.626 -6.481 653 HA3 GLY 88 2HA GLY 88 1.655 -2.031 -6.445 654 H MET 89 H MET 89 2.723 -3.088 -4.225 655 HA MET 89 HA MET 89 3.291 -5.729 -4.956 656 HB2 MET 89 1HB MET 89 4.382 -5.874 -2.702 657 HB3 MET 89 2HB MET 89 4.893 -4.502 -3.673 658 HG2 MET 89 1HG MET 89 3.417 -3.040 -2.406 659 HG3 MET 89 2HG MET 89 2.873 -4.413 -1.446 660 HE1 MET 89 1HE MET 89 5.759 -2.553 -2.796 661 HE2 MET 89 2HE MET 89 5.902 -1.556 -1.347 662 HE3 MET 89 3HE MET 89 7.102 -2.807 -1.680 663 H VAL 90 H VAL 90 1.129 -4.430 -2.470 664 HA VAL 90 HA VAL 90 0.395 -6.884 -1.312 665 HB VAL 90 HB VAL 90 -1.119 -4.279 -1.481 666 HG11 VAL 90 1HG1 VAL 90 -2.554 -5.129 0.284 667 HG12 VAL 90 2HG1 VAL 90 -2.654 -6.169 -1.139 668 HG13 VAL 90 3HG1 VAL 90 -1.702 -6.672 0.259 669 HG21 VAL 90 1HG2 VAL 90 0.472 -3.663 -0.033 670 HG22 VAL 90 2HG2 VAL 90 -0.373 -4.689 1.125 671 HG23 VAL 90 3HG2 VAL 90 1.006 -5.324 0.226 672 H LYS 91 H LYS 91 -1.415 -4.887 -3.651 673 HA LYS 91 HA LYS 91 -3.532 -6.544 -4.151 674 HB2 LYS 91 1HB LYS 91 -2.784 -4.211 -5.179 675 HB3 LYS 91 2HB LYS 91 -2.250 -5.235 -6.505 676 HG2 LYS 91 1HG LYS 91 -4.355 -4.794 -7.217 677 HG3 LYS 91 2HG LYS 91 -4.693 -6.223 -6.236 678 HD2 LYS 91 1HD LYS 91 -5.082 -4.570 -4.313 679 HD3 LYS 91 2HD LYS 91 -5.154 -3.332 -5.568 680 HE2 LYS 91 1HE LYS 91 -7.381 -3.934 -5.287 681 HE3 LYS 91 2HE LYS 91 -6.882 -4.883 -6.687 682 HZ1 LYS 91 1HZ LYS 91 -6.458 -6.224 -4.179 683 HZ2 LYS 91 2HZ LYS 91 -7.198 -6.784 -5.593 684 HZ3 LYS 91 3HZ LYS 91 -8.086 -5.872 -4.478 685 H ASP 92 H ASP 92 -0.395 -6.602 -5.833 686 HA ASP 92 HA ASP 92 -0.979 -8.797 -7.493 687 HB2 ASP 92 1HB ASP 92 0.931 -7.161 -7.760 688 HB3 ASP 92 2HB ASP 92 1.760 -8.035 -6.475 689 H LEU 93 H LEU 93 0.532 -8.599 -4.299 690 HA LEU 93 HA LEU 93 1.279 -11.271 -4.024 691 HB2 LEU 93 1HB LEU 93 0.508 -9.154 -2.047 692 HB3 LEU 93 2HB LEU 93 0.926 -10.784 -1.523 693 HG LEU 93 HG LEU 93 2.810 -9.169 -3.210 694 HD11 LEU 93 1HD1 LEU 93 2.757 -7.656 -1.526 695 HD12 LEU 93 2HD1 LEU 93 3.845 -8.823 -0.776 696 HD13 LEU 93 3HD1 LEU 93 2.133 -8.814 -0.351 697 HD21 LEU 93 1HD2 LEU 93 3.327 -11.290 -1.135 698 HD22 LEU 93 2HD2 LEU 93 4.467 -10.622 -2.303 699 HD23 LEU 93 3HD2 LEU 93 3.128 -11.629 -2.854 700 H ILE 94 H ILE 94 -1.793 -9.670 -3.321 701 HA ILE 94 HA ILE 94 -3.014 -12.057 -2.286 702 HB ILE 94 HB ILE 94 -4.238 -9.424 -3.118 703 HG12 ILE 94 1HG1 ILE 94 -3.769 -10.514 -0.340 704 HG13 ILE 94 2HG1 ILE 94 -2.634 -9.446 -1.159 705 HG21 ILE 94 1HG2 ILE 94 -5.920 -11.118 -3.279 706 HG22 ILE 94 2HG2 ILE 94 -5.450 -11.802 -1.724 707 HG23 ILE 94 3HG2 ILE 94 -6.200 -10.208 -1.794 708 HD11 ILE 94 1HD1 ILE 94 -5.183 -8.849 0.145 709 HD12 ILE 94 2HD1 ILE 94 -3.767 -7.830 -0.116 710 HD13 ILE 94 3HD1 ILE 94 -4.943 -8.052 -1.411 711 H ASN 95 H ASN 95 -2.934 -10.360 -5.363 712 HA ASN 95 HA ASN 95 -5.013 -11.798 -6.625 713 HB2 ASN 95 1HB ASN 95 -2.714 -10.137 -7.596 714 HB3 ASN 95 2HB ASN 95 -3.667 -11.065 -8.749 715 HD21 ASN 95 1HD2 ASN 95 -3.417 -8.216 -8.570 716 HD22 ASN 95 2HD2 ASN 95 -4.999 -7.586 -8.281 717 H ARG 96 H ARG 96 -1.513 -12.300 -6.462 718 HA ARG 96 HA ARG 96 -1.486 -14.549 -8.202 719 HB2 ARG 96 1HB ARG 96 0.798 -14.888 -7.416 720 HB3 ARG 96 2HB ARG 96 0.516 -13.190 -7.774 721 HG2 ARG 96 1HG ARG 96 0.094 -12.860 -5.312 722 HG3 ARG 96 2HG ARG 96 0.696 -14.502 -5.078 723 HD2 ARG 96 1HD ARG 96 2.218 -12.251 -6.389 724 HD3 ARG 96 2HD ARG 96 2.440 -12.800 -4.728 725 HE ARG 96 HE ARG 96 2.751 -14.936 -6.579 726 HH11 ARG 96 1HH1 ARG 96 4.361 -12.150 -5.249 727 HH12 ARG 96 2HH1 ARG 96 5.953 -12.777 -5.521 728 HH21 ARG 96 1HH2 ARG 96 4.842 -15.773 -6.942 729 HH22 ARG 96 2HH2 ARG 96 6.226 -14.838 -6.485 730 H SER 97 H SER 97 -1.612 -14.169 -4.687 731 HA SER 97 HA SER 97 -1.265 -16.765 -3.856 732 HB2 SER 97 1HB SER 97 -3.037 -14.572 -2.788 733 HB3 SER 97 2HB SER 97 -2.905 -16.134 -1.981 734 HG SER 97 HG SER 97 -1.274 -15.153 -1.052 735 H GLY 98 H GLY 98 -4.421 -15.248 -4.568 736 HA2 GLY 98 1HA GLY 98 -6.027 -17.475 -4.293 737 HA3 GLY 98 2HA GLY 98 -6.364 -16.151 -5.398 738 HA PRO 99 HA PRO 99 -5.119 -20.257 -7.560 739 HB2 PRO 99 1HB PRO 99 -7.569 -21.352 -7.973 740 HB3 PRO 99 2HB PRO 99 -6.581 -21.714 -6.552 741 HG2 PRO 99 1HG PRO 99 -8.875 -19.811 -6.829 742 HG3 PRO 99 2HG PRO 99 -8.516 -20.947 -5.516 743 HD2 PRO 99 1HD PRO 99 -7.961 -18.302 -5.347 744 HD3 PRO 99 2HD PRO 99 -6.966 -19.539 -4.553 745 H SER 100 H SER 100 -6.964 -17.506 -7.993 746 HA SER 100 HA SER 100 -7.684 -18.061 -10.760 747 HB2 SER 100 1HB SER 100 -9.130 -16.748 -9.058 748 HB3 SER 100 2HB SER 100 -8.033 -15.407 -9.383 749 HG SER 100 HG SER 100 -9.568 -16.817 -11.314 750 H SER 101 H SER 101 -6.623 -17.315 -12.502 751 HA SER 101 HA SER 101 -3.967 -16.450 -12.302 752 HB2 SER 101 1HB SER 101 -5.149 -17.575 -14.288 753 HB3 SER 101 2HB SER 101 -5.696 -15.956 -14.722 754 HG SER 101 HG SER 101 -3.820 -16.143 -15.783 755 H GLY 102 H GLY 102 -3.116 -14.528 -11.874 756 HA2 GLY 102 1HA GLY 102 -4.702 -12.244 -11.364 757 HA3 GLY 102 2HA GLY 102 -2.947 -12.274 -11.464 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -27.687 18.012 -29.698 2 HA2 GLY 1 1HA GLY 1 -27.867 16.697 -32.168 3 HA3 GLY 1 2HA GLY 1 -29.260 16.230 -31.204 4 H SER 2 H SER 2 -30.905 17.675 -30.860 5 HA SER 2 HA SER 2 -30.888 20.008 -32.603 6 HB2 SER 2 1HB SER 2 -33.113 18.712 -31.011 7 HB3 SER 2 2HB SER 2 -33.322 20.107 -32.070 8 HG SER 2 HG SER 2 -33.818 18.094 -33.092 9 H SER 3 H SER 3 -31.693 22.080 -31.852 10 HA SER 3 HA SER 3 -30.759 22.643 -29.129 11 HB2 SER 3 1HB SER 3 -30.764 25.039 -29.927 12 HB3 SER 3 2HB SER 3 -29.643 23.978 -30.780 13 HG SER 3 HG SER 3 -31.045 25.426 -32.081 14 H GLY 4 H GLY 4 -33.368 23.707 -31.327 15 HA2 GLY 4 1HA GLY 4 -35.650 23.838 -30.824 16 HA3 GLY 4 2HA GLY 4 -35.276 23.517 -29.138 17 H SER 5 H SER 5 -37.051 25.345 -29.281 18 HA SER 5 HA SER 5 -35.764 27.974 -29.445 19 HB2 SER 5 1HB SER 5 -38.630 27.062 -29.482 20 HB3 SER 5 2HB SER 5 -38.226 28.739 -29.115 21 HG SER 5 HG SER 5 -38.624 28.318 -31.369 22 H SER 6 H SER 6 -34.722 28.359 -27.572 23 HA SER 6 HA SER 6 -36.251 28.897 -25.228 24 HB2 SER 6 1HB SER 6 -35.834 26.326 -25.252 25 HB3 SER 6 2HB SER 6 -34.184 26.757 -24.803 26 HG SER 6 HG SER 6 -35.161 26.588 -22.889 27 H GLY 7 H GLY 7 -34.981 29.892 -23.539 28 HA2 GLY 7 1HA GLY 7 -32.574 31.155 -24.638 29 HA3 GLY 7 2HA GLY 7 -33.528 31.752 -23.289 30 H GLU 8 H GLU 8 -30.706 30.205 -24.161 31 HA GLU 8 HA GLU 8 -30.373 29.068 -21.463 32 HB2 GLU 8 1HB GLU 8 -28.367 27.893 -22.706 33 HB3 GLU 8 2HB GLU 8 -29.999 27.246 -22.808 34 HG2 GLU 8 1HG GLU 8 -30.310 28.061 -24.980 35 HG3 GLU 8 2HG GLU 8 -28.927 29.148 -24.861 36 HA PRO 9 HA PRO 9 -27.642 32.781 -21.595 37 HB2 PRO 9 1HB PRO 9 -28.077 33.457 -19.002 38 HB3 PRO 9 2HB PRO 9 -29.146 33.959 -20.317 39 HG2 PRO 9 1HG PRO 9 -29.462 31.702 -18.375 40 HG3 PRO 9 2HG PRO 9 -30.673 32.863 -18.948 41 HD2 PRO 9 1HD PRO 9 -30.487 30.346 -19.930 42 HD3 PRO 9 2HD PRO 9 -31.017 31.721 -20.921 43 H GLU 10 H GLU 10 -25.923 33.375 -19.839 44 HA GLU 10 HA GLU 10 -24.842 30.987 -18.540 45 HB2 GLU 10 1HB GLU 10 -22.542 31.713 -19.453 46 HB3 GLU 10 2HB GLU 10 -23.625 30.836 -20.525 47 HG2 GLU 10 1HG GLU 10 -24.356 33.054 -21.439 48 HG3 GLU 10 2HG GLU 10 -23.053 33.787 -20.505 49 H LYS 11 H LYS 11 -23.385 31.415 -16.839 50 HA LYS 11 HA LYS 11 -22.593 34.063 -16.141 51 HB2 LYS 11 1HB LYS 11 -25.100 33.912 -15.550 52 HB3 LYS 11 2HB LYS 11 -24.590 32.846 -14.248 53 HG2 LYS 11 1HG LYS 11 -23.271 35.500 -14.533 54 HG3 LYS 11 2HG LYS 11 -24.895 35.414 -13.849 55 HD2 LYS 11 1HD LYS 11 -24.015 33.689 -12.244 56 HD3 LYS 11 2HD LYS 11 -22.396 34.065 -12.840 57 HE2 LYS 11 1HE LYS 11 -22.528 35.446 -11.007 58 HE3 LYS 11 2HE LYS 11 -23.086 36.525 -12.284 59 HZ1 LYS 11 1HZ LYS 11 -25.219 36.470 -11.530 60 HZ2 LYS 11 2HZ LYS 11 -24.411 36.261 -10.059 61 HZ3 LYS 11 3HZ LYS 11 -25.079 34.925 -10.855 62 H LEU 12 H LEU 12 -20.615 33.623 -15.431 63 HA LEU 12 HA LEU 12 -20.284 31.760 -13.220 64 HB2 LEU 12 1HB LEU 12 -18.403 30.620 -14.276 65 HB3 LEU 12 2HB LEU 12 -19.903 30.370 -15.166 66 HG LEU 12 HG LEU 12 -18.961 32.402 -16.589 67 HD11 LEU 12 1HD1 LEU 12 -16.826 32.922 -16.294 68 HD12 LEU 12 2HD1 LEU 12 -16.346 31.229 -16.409 69 HD13 LEU 12 3HD1 LEU 12 -16.827 31.905 -14.853 70 HD21 LEU 12 1HD2 LEU 12 -17.565 30.361 -17.746 71 HD22 LEU 12 2HD2 LEU 12 -19.291 30.659 -17.956 72 HD23 LEU 12 3HD2 LEU 12 -18.737 29.491 -16.756 73 H GLY 13 H GLY 13 -18.083 31.918 -12.253 74 HA2 GLY 13 1HA GLY 13 -16.316 33.138 -11.433 75 HA3 GLY 13 2HA GLY 13 -16.332 34.042 -12.940 76 H GLN 14 H GLN 14 -17.762 33.818 -9.727 77 HA GLN 14 HA GLN 14 -18.658 36.608 -9.985 78 HB2 GLN 14 1HB GLN 14 -20.332 34.777 -9.392 79 HB3 GLN 14 2HB GLN 14 -19.508 34.666 -7.842 80 HG2 GLN 14 1HG GLN 14 -19.941 37.234 -7.750 81 HG3 GLN 14 2HG GLN 14 -21.184 36.868 -8.944 82 HE21 GLN 14 1HE2 GLN 14 -19.983 35.615 -5.847 83 HE22 GLN 14 2HE2 GLN 14 -21.543 35.329 -5.163 84 H ALA 15 H ALA 15 -17.145 34.354 -7.685 85 HA ALA 15 HA ALA 15 -15.808 36.671 -6.444 86 HB1 ALA 15 1HB ALA 15 -16.395 34.085 -5.027 87 HB2 ALA 15 2HB ALA 15 -15.910 35.632 -4.330 88 HB3 ALA 15 3HB ALA 15 -17.518 35.446 -5.029 89 H LEU 16 H LEU 16 -14.078 36.432 -7.968 90 HA LEU 16 HA LEU 16 -12.574 34.001 -8.111 91 HB2 LEU 16 1HB LEU 16 -10.929 35.409 -9.346 92 HB3 LEU 16 2HB LEU 16 -12.559 35.416 -10.017 93 HG LEU 16 HG LEU 16 -12.711 37.618 -8.502 94 HD11 LEU 16 1HD1 LEU 16 -10.676 38.009 -7.620 95 HD12 LEU 16 2HD1 LEU 16 -10.353 38.701 -9.209 96 HD13 LEU 16 3HD1 LEU 16 -9.840 37.054 -8.845 97 HD21 LEU 16 1HD2 LEU 16 -12.986 37.188 -11.042 98 HD22 LEU 16 2HD2 LEU 16 -11.342 37.819 -11.156 99 HD23 LEU 16 3HD2 LEU 16 -12.627 38.821 -10.480 100 H THR 17 H THR 17 -12.678 34.250 -5.534 101 HA THR 17 HA THR 17 -10.579 35.859 -4.409 102 HB THR 17 HB THR 17 -11.107 34.772 -2.293 103 HG1 THR 17 1HG THR 17 -12.590 33.025 -3.964 104 HG21 THR 17 1HG2 THR 17 -13.249 35.652 -1.996 105 HG22 THR 17 2HG2 THR 17 -13.754 35.226 -3.631 106 HG23 THR 17 3HG2 THR 17 -12.626 36.556 -3.375 107 H GLU 18 H GLU 18 -8.750 34.992 -3.227 108 HA GLU 18 HA GLU 18 -7.806 32.406 -4.273 109 HB2 GLU 18 1HB GLU 18 -6.372 35.040 -4.123 110 HB3 GLU 18 2HB GLU 18 -5.472 33.530 -4.095 111 HG2 GLU 18 1HG GLU 18 -6.600 32.914 -6.237 112 HG3 GLU 18 2HG GLU 18 -7.271 34.543 -6.280 113 H VAL 19 H VAL 19 -8.084 31.165 -2.492 114 HA VAL 19 HA VAL 19 -7.544 32.065 0.160 115 HB VAL 19 HB VAL 19 -7.872 29.723 0.824 116 HG11 VAL 19 1HG1 VAL 19 -9.985 30.306 -1.212 117 HG12 VAL 19 2HG1 VAL 19 -10.154 29.672 0.426 118 HG13 VAL 19 3HG1 VAL 19 -9.764 31.373 0.175 119 HG21 VAL 19 1HG2 VAL 19 -8.529 28.089 -0.969 120 HG22 VAL 19 2HG2 VAL 19 -7.899 29.238 -2.148 121 HG23 VAL 19 3HG2 VAL 19 -6.822 28.530 -0.945 122 H TYR 20 H TYR 20 -5.768 31.815 1.416 123 HA TYR 20 HA TYR 20 -3.491 30.315 0.324 124 HB2 TYR 20 1HB TYR 20 -2.007 32.187 1.194 125 HB3 TYR 20 2HB TYR 20 -2.940 32.548 -0.254 126 HD1 TYR 20 2HD TYR 20 -4.917 34.032 -0.113 127 HD2 TYR 20 1HD TYR 20 -2.378 33.372 3.238 128 HE1 TYR 20 2HE TYR 20 -5.862 36.019 0.987 129 HE2 TYR 20 1HE TYR 20 -3.317 35.356 4.347 130 HH TYR 20 HH TYR 20 -4.607 37.674 3.189 131 H ALA 21 H ALA 21 -3.188 28.735 1.751 132 HA ALA 21 HA ALA 21 -3.015 29.453 4.599 133 HB1 ALA 21 1HB ALA 21 -3.877 26.879 4.727 134 HB2 ALA 21 2HB ALA 21 -4.916 28.296 4.885 135 HB3 ALA 21 3HB ALA 21 -4.771 27.478 3.329 136 H LYS 22 H LYS 22 -0.903 29.271 5.018 137 HA LYS 22 HA LYS 22 0.764 27.331 3.701 138 HB2 LYS 22 1HB LYS 22 1.310 29.292 5.933 139 HB3 LYS 22 2HB LYS 22 2.536 28.245 5.231 140 HG2 LYS 22 1HG LYS 22 2.862 30.218 4.093 141 HG3 LYS 22 2HG LYS 22 1.820 29.320 2.987 142 HD2 LYS 22 1HD LYS 22 0.011 30.666 3.382 143 HD3 LYS 22 2HD LYS 22 0.533 31.070 5.019 144 HE2 LYS 22 1HE LYS 22 2.047 32.677 4.267 145 HE3 LYS 22 2HE LYS 22 2.073 32.022 2.631 146 HZ1 LYS 22 1HZ LYS 22 0.294 33.216 2.047 147 HZ2 LYS 22 2HZ LYS 22 0.636 34.159 3.408 148 HZ3 LYS 22 3HZ LYS 22 -0.522 32.930 3.500 149 H ALA 23 H ALA 23 -0.259 25.370 4.352 150 HA ALA 23 HA ALA 23 -0.423 24.650 7.124 151 HB1 ALA 23 1HB ALA 23 -2.009 23.716 5.565 152 HB2 ALA 23 2HB ALA 23 -0.706 22.985 4.627 153 HB3 ALA 23 3HB ALA 23 -1.039 22.419 6.263 154 H ASN 24 H ASN 24 1.372 24.329 8.270 155 HA ASN 24 HA ASN 24 3.840 23.491 7.087 156 HB2 ASN 24 1HB ASN 24 2.968 23.926 9.945 157 HB3 ASN 24 2HB ASN 24 4.589 23.385 9.519 158 HD21 ASN 24 1HD2 ASN 24 5.382 24.809 7.493 159 HD22 ASN 24 2HD2 ASN 24 5.334 26.506 7.816 160 H SER 25 H SER 25 1.868 22.006 9.666 161 HA SER 25 HA SER 25 3.040 19.606 9.964 162 HB2 SER 25 1HB SER 25 0.774 18.638 10.392 163 HB3 SER 25 2HB SER 25 1.046 20.176 11.212 164 HG SER 25 HG SER 25 -0.839 20.557 10.285 165 H PHE 26 H PHE 26 2.992 17.565 9.005 166 HA PHE 26 HA PHE 26 2.690 17.614 6.125 167 HB2 PHE 26 1HB PHE 26 3.686 15.342 6.231 168 HB3 PHE 26 2HB PHE 26 4.673 16.557 7.036 169 HD1 PHE 26 2HD PHE 26 1.918 14.180 7.867 170 HD2 PHE 26 1HD PHE 26 5.580 15.993 9.060 171 HE1 PHE 26 2HE PHE 26 1.923 12.814 9.913 172 HE2 PHE 26 1HE PHE 26 5.591 14.629 11.108 173 HZ PHE 26 HZ PHE 26 3.761 13.039 11.537 174 H THR 27 H THR 27 1.937 15.184 5.367 175 HA THR 27 HA THR 27 -0.816 14.958 6.388 176 HB THR 27 HB THR 27 0.346 14.486 3.655 177 HG1 THR 27 1HG THR 27 -1.812 16.017 4.709 178 HG21 THR 27 1HG2 THR 27 -2.175 13.348 4.828 179 HG22 THR 27 2HG2 THR 27 -0.929 12.533 3.882 180 HG23 THR 27 3HG2 THR 27 -2.028 13.670 3.101 181 H VAL 28 H VAL 28 -1.750 12.881 6.625 182 HA VAL 28 HA VAL 28 0.189 10.667 6.775 183 HB VAL 28 HB VAL 28 -2.082 11.100 8.716 184 HG11 VAL 28 1HG1 VAL 28 0.201 9.366 9.383 185 HG12 VAL 28 2HG1 VAL 28 -1.524 9.142 9.682 186 HG13 VAL 28 3HG1 VAL 28 -0.848 8.780 8.093 187 HG21 VAL 28 1HG2 VAL 28 0.261 12.556 8.612 188 HG22 VAL 28 2HG2 VAL 28 -0.781 12.360 10.021 189 HG23 VAL 28 3HG2 VAL 28 0.608 11.296 9.797 190 H SER 29 H SER 29 -0.343 9.200 5.303 191 HA SER 29 HA SER 29 -3.194 8.740 4.729 192 HB2 SER 29 1HB SER 29 -1.402 9.443 2.911 193 HB3 SER 29 2HB SER 29 -1.039 7.718 2.928 194 HG SER 29 HG SER 29 -3.560 7.692 2.784 195 H SER 30 H SER 30 -3.877 6.543 4.327 196 HA SER 30 HA SER 30 -2.183 4.518 5.629 197 HB2 SER 30 1HB SER 30 -4.597 3.588 6.309 198 HB3 SER 30 2HB SER 30 -3.716 4.732 7.321 199 HG SER 30 HG SER 30 -5.784 5.509 7.037 200 H VAL 31 H VAL 31 -2.329 2.423 4.829 201 HA VAL 31 HA VAL 31 -3.911 2.097 2.363 202 HB VAL 31 HB VAL 31 -1.098 1.115 2.864 203 HG11 VAL 31 1HG1 VAL 31 -3.029 0.569 0.623 204 HG12 VAL 31 2HG1 VAL 31 -1.286 0.345 0.461 205 HG13 VAL 31 3HG1 VAL 31 -2.190 -0.594 1.649 206 HG21 VAL 31 1HG2 VAL 31 -2.258 3.404 1.415 207 HG22 VAL 31 2HG2 VAL 31 -0.667 3.215 2.152 208 HG23 VAL 31 3HG2 VAL 31 -0.993 2.518 0.565 209 H ALA 32 H ALA 32 -5.266 0.436 2.419 210 HA ALA 32 HA ALA 32 -5.433 -1.318 4.630 211 HB1 ALA 32 1HB ALA 32 -7.389 -0.679 3.323 212 HB2 ALA 32 2HB ALA 32 -6.744 -1.538 1.925 213 HB3 ALA 32 3HB ALA 32 -7.206 -2.433 3.373 214 H ALA 33 H ALA 33 -4.159 -2.986 5.057 215 HA ALA 33 HA ALA 33 -3.468 -4.870 2.963 216 HB1 ALA 33 1HB ALA 33 -1.047 -4.826 3.569 217 HB2 ALA 33 2HB ALA 33 -1.617 -3.376 2.743 218 HB3 ALA 33 3HB ALA 33 -1.360 -3.353 4.488 219 HA PRO 34 HA PRO 34 -4.089 -7.685 6.292 220 HB2 PRO 34 1HB PRO 34 -2.858 -9.865 5.240 221 HB3 PRO 34 2HB PRO 34 -4.430 -9.283 4.677 222 HG2 PRO 34 1HG PRO 34 -1.715 -8.852 3.490 223 HG3 PRO 34 2HG PRO 34 -3.243 -9.240 2.677 224 HD2 PRO 34 1HD PRO 34 -2.236 -6.729 2.764 225 HD3 PRO 34 2HD PRO 34 -3.981 -7.057 2.747 226 H SER 35 H SER 35 -2.845 -9.192 7.718 227 HA SER 35 HA SER 35 -0.091 -8.211 8.099 228 HB2 SER 35 1HB SER 35 -0.390 -8.556 10.497 229 HB3 SER 35 2HB SER 35 -1.658 -7.494 9.881 230 HG SER 35 HG SER 35 -1.867 -9.925 11.069 231 H TRP 36 H TRP 36 -2.116 -10.935 7.647 232 HA TRP 36 HA TRP 36 -0.554 -12.957 8.815 233 HB2 TRP 36 1HB TRP 36 -1.750 -14.482 7.244 234 HB3 TRP 36 2HB TRP 36 -2.826 -13.410 8.137 235 HD1 TRP 36 HD TRP 36 -4.126 -11.536 6.754 236 HE1 TRP 36 1HE TRP 36 -4.599 -11.263 4.239 237 HE3 TRP 36 3HE TRP 36 -0.730 -14.890 4.922 238 HZ2 TRP 36 2HZ TRP 36 -3.657 -12.330 1.800 239 HZ3 TRP 36 3HZ TRP 36 -0.580 -15.205 2.486 240 HH2 TRP 36 HH TRP 36 -2.014 -13.951 0.959 241 H LEU 37 H LEU 37 -0.007 -11.020 6.067 242 HA LEU 37 HA LEU 37 2.060 -12.880 5.097 243 HB2 LEU 37 1HB LEU 37 1.947 -11.427 3.007 244 HB3 LEU 37 2HB LEU 37 0.604 -12.526 3.315 245 HG LEU 37 HG LEU 37 -0.591 -10.502 4.321 246 HD11 LEU 37 1HD1 LEU 37 1.754 -9.185 2.996 247 HD12 LEU 37 2HD1 LEU 37 1.106 -8.923 4.614 248 HD13 LEU 37 3HD1 LEU 37 0.215 -8.349 3.204 249 HD21 LEU 37 1HD2 LEU 37 -1.686 -10.805 2.412 250 HD22 LEU 37 2HD2 LEU 37 -0.225 -11.361 1.595 251 HD23 LEU 37 3HD2 LEU 37 -0.593 -9.637 1.668 252 H HIS 38 H HIS 38 2.168 -10.858 7.311 253 HA HIS 38 HA HIS 38 3.626 -8.597 6.599 254 HB2 HIS 38 1HB HIS 38 3.327 -10.205 9.089 255 HB3 HIS 38 2HB HIS 38 4.645 -9.038 9.022 256 HD2 HIS 38 2HD HIS 38 2.181 -7.183 7.130 257 HE1 HIS 38 1HE HIS 38 0.996 -6.506 11.146 258 HE2 HIS 38 2HE HIS 38 0.695 -5.814 8.743 259 H ARG 39 H ARG 39 4.646 -11.917 7.022 260 HA ARG 39 HA ARG 39 7.434 -11.435 7.124 261 HB2 ARG 39 1HB ARG 39 7.694 -13.797 6.749 262 HB3 ARG 39 2HB ARG 39 6.327 -13.556 7.828 263 HG2 ARG 39 1HG ARG 39 4.814 -13.802 5.876 264 HG3 ARG 39 2HG ARG 39 6.224 -14.198 4.891 265 HD2 ARG 39 1HD ARG 39 5.268 -15.711 7.318 266 HD3 ARG 39 2HD ARG 39 5.078 -16.217 5.640 267 HE ARG 39 HE ARG 39 7.752 -15.902 5.889 268 HH11 ARG 39 1HH1 ARG 39 5.368 -17.652 7.728 269 HH12 ARG 39 2HH1 ARG 39 6.471 -18.892 8.225 270 HH21 ARG 39 1HH2 ARG 39 9.214 -17.529 6.538 271 HH22 ARG 39 2HH2 ARG 39 8.659 -18.820 7.548 272 H PHE 40 H PHE 40 5.153 -11.388 4.566 273 HA PHE 40 HA PHE 40 7.251 -11.621 2.533 274 HB2 PHE 40 1HB PHE 40 4.238 -11.562 2.275 275 HB3 PHE 40 2HB PHE 40 5.355 -11.683 0.919 276 HD1 PHE 40 2HD PHE 40 7.185 -13.638 1.297 277 HD2 PHE 40 1HD PHE 40 3.269 -13.514 2.961 278 HE1 PHE 40 2HE PHE 40 7.214 -16.086 1.539 279 HE2 PHE 40 1HE PHE 40 3.293 -15.961 3.207 280 HZ PHE 40 HZ PHE 40 5.266 -17.252 2.495 281 H ILE 41 H ILE 41 4.615 -9.457 3.528 282 HA ILE 41 HA ILE 41 5.044 -7.413 1.691 283 HB ILE 41 HB ILE 41 3.171 -7.710 3.479 284 HG12 ILE 41 1HG1 ILE 41 4.184 -4.911 2.964 285 HG13 ILE 41 2HG1 ILE 41 3.425 -5.897 1.718 286 HG21 ILE 41 1HG2 ILE 41 3.412 -6.485 5.496 287 HG22 ILE 41 2HG2 ILE 41 4.826 -7.530 5.366 288 HG23 ILE 41 3HG2 ILE 41 4.959 -5.814 4.982 289 HD11 ILE 41 1HD1 ILE 41 1.576 -6.072 3.667 290 HD12 ILE 41 2HD1 ILE 41 2.236 -4.468 3.988 291 HD13 ILE 41 3HD1 ILE 41 1.569 -4.846 2.401 292 H ILE 42 H ILE 42 6.601 -8.042 4.793 293 HA ILE 42 HA ILE 42 8.122 -5.605 4.758 294 HB ILE 42 HB ILE 42 8.371 -8.085 6.459 295 HG12 ILE 42 1HG1 ILE 42 7.349 -5.316 7.121 296 HG13 ILE 42 2HG1 ILE 42 6.326 -6.705 6.771 297 HG21 ILE 42 1HG2 ILE 42 9.634 -5.986 7.763 298 HG22 ILE 42 2HG2 ILE 42 10.408 -7.371 6.997 299 HG23 ILE 42 3HG2 ILE 42 10.194 -5.872 6.095 300 HD11 ILE 42 1HD1 ILE 42 6.407 -6.452 9.122 301 HD12 ILE 42 2HD1 ILE 42 7.395 -7.857 8.719 302 HD13 ILE 42 3HD1 ILE 42 8.166 -6.320 9.113 303 H GLY 43 H GLY 43 8.930 -9.054 4.331 304 HA2 GLY 43 1HA GLY 43 10.394 -9.788 2.581 305 HA3 GLY 43 2HA GLY 43 11.175 -8.215 2.624 306 H LYS 44 H LYS 44 13.121 -9.626 2.661 307 HA LYS 44 HA LYS 44 13.686 -11.066 5.090 308 HB2 LYS 44 1HB LYS 44 15.281 -10.387 2.631 309 HB3 LYS 44 2HB LYS 44 16.040 -11.126 4.036 310 HG2 LYS 44 1HG LYS 44 14.268 -12.940 3.841 311 HG3 LYS 44 2HG LYS 44 13.917 -12.265 2.248 312 HD2 LYS 44 1HD LYS 44 15.948 -12.907 1.379 313 HD3 LYS 44 2HD LYS 44 16.743 -12.903 2.954 314 HE2 LYS 44 1HE LYS 44 14.604 -14.891 2.246 315 HE3 LYS 44 2HE LYS 44 16.304 -15.169 1.867 316 HZ1 LYS 44 1HZ LYS 44 15.912 -14.355 4.580 317 HZ2 LYS 44 2HZ LYS 44 16.735 -15.700 3.968 318 HZ3 LYS 44 3HZ LYS 44 15.063 -15.772 4.217 319 H LYS 45 H LYS 45 14.121 -10.039 6.921 320 HA LYS 45 HA LYS 45 14.810 -8.438 8.397 321 HB2 LYS 45 1HB LYS 45 17.176 -8.349 6.516 322 HB3 LYS 45 2HB LYS 45 17.163 -7.796 8.186 323 HG2 LYS 45 1HG LYS 45 16.385 -10.287 8.621 324 HG3 LYS 45 2HG LYS 45 17.235 -10.552 7.096 325 HD2 LYS 45 1HD LYS 45 18.557 -8.963 9.250 326 HD3 LYS 45 2HD LYS 45 18.507 -10.722 9.383 327 HE2 LYS 45 1HE LYS 45 19.398 -9.475 6.823 328 HE3 LYS 45 2HE LYS 45 20.511 -9.523 8.190 329 HZ1 LYS 45 1HZ LYS 45 20.518 -11.457 6.527 330 HZ2 LYS 45 2HZ LYS 45 19.108 -11.964 7.313 331 HZ3 LYS 45 3HZ LYS 45 20.554 -11.822 8.179 332 H GLY 46 H GLY 46 13.053 -7.416 6.474 333 HA2 GLY 46 1HA GLY 46 12.226 -5.331 5.932 334 HA3 GLY 46 2HA GLY 46 13.638 -4.622 6.701 335 H GLN 47 H GLN 47 13.063 -6.702 3.858 336 HA GLN 47 HA GLN 47 15.069 -5.214 2.376 337 HB2 GLN 47 1HB GLN 47 15.063 -7.641 2.187 338 HB3 GLN 47 2HB GLN 47 13.399 -7.616 1.617 339 HG2 GLN 47 1HG GLN 47 14.188 -6.278 -0.345 340 HG3 GLN 47 2HG GLN 47 15.837 -6.577 0.200 341 HE21 GLN 47 1HE2 GLN 47 12.839 -8.331 -0.511 342 HE22 GLN 47 2HE2 GLN 47 13.605 -9.683 -1.266 343 H ASN 48 H ASN 48 11.660 -6.137 1.866 344 HA ASN 48 HA ASN 48 11.259 -4.461 -0.361 345 HB2 ASN 48 1HB ASN 48 9.420 -5.831 1.578 346 HB3 ASN 48 2HB ASN 48 8.772 -4.717 0.377 347 HD21 ASN 48 1HD2 ASN 48 9.661 -7.868 1.004 348 HD22 ASN 48 2HD2 ASN 48 9.674 -8.467 -0.616 349 H LEU 49 H LEU 49 10.932 -3.930 3.093 350 HA LEU 49 HA LEU 49 9.586 -1.435 2.908 351 HB2 LEU 49 1HB LEU 49 11.082 -2.873 5.058 352 HB3 LEU 49 2HB LEU 49 10.604 -1.194 5.293 353 HG LEU 49 HG LEU 49 8.669 -3.418 4.664 354 HD11 LEU 49 1HD1 LEU 49 8.086 -2.897 7.174 355 HD12 LEU 49 2HD1 LEU 49 9.788 -2.441 7.241 356 HD13 LEU 49 3HD1 LEU 49 9.332 -4.072 6.751 357 HD21 LEU 49 1HD2 LEU 49 8.418 -0.516 5.354 358 HD22 LEU 49 2HD2 LEU 49 7.122 -1.647 5.744 359 HD23 LEU 49 3HD2 LEU 49 7.630 -1.432 4.069 360 H ALA 50 H ALA 50 12.990 -2.286 3.509 361 HA ALA 50 HA ALA 50 14.077 0.227 3.762 362 HB1 ALA 50 1HB ALA 50 15.433 -1.696 4.139 363 HB2 ALA 50 2HB ALA 50 15.244 -2.229 2.469 364 HB3 ALA 50 3HB ALA 50 16.173 -0.774 2.830 365 H LYS 51 H LYS 51 13.461 -1.567 0.759 366 HA LYS 51 HA LYS 51 14.570 0.144 -1.085 367 HB2 LYS 51 1HB LYS 51 12.228 -1.709 -1.149 368 HB3 LYS 51 2HB LYS 51 12.481 -0.630 -2.515 369 HG2 LYS 51 1HG LYS 51 14.896 -1.559 -2.491 370 HG3 LYS 51 2HG LYS 51 14.198 -2.869 -1.534 371 HD2 LYS 51 1HD LYS 51 12.449 -3.039 -3.404 372 HD3 LYS 51 2HD LYS 51 13.564 -2.055 -4.355 373 HE2 LYS 51 1HE LYS 51 14.440 -4.578 -2.979 374 HE3 LYS 51 2HE LYS 51 13.728 -4.596 -4.591 375 HZ1 LYS 51 1HZ LYS 51 15.792 -2.646 -4.381 376 HZ2 LYS 51 2HZ LYS 51 15.632 -3.924 -5.477 377 HZ3 LYS 51 3HZ LYS 51 16.367 -4.184 -3.975 378 H ILE 52 H ILE 52 11.142 0.191 -0.083 379 HA ILE 52 HA ILE 52 10.430 2.543 -1.379 380 HB ILE 52 HB ILE 52 9.318 1.517 1.235 381 HG12 ILE 52 1HG1 ILE 52 8.247 1.026 -1.543 382 HG13 ILE 52 2HG1 ILE 52 9.348 -0.090 -0.742 383 HG21 ILE 52 1HG2 ILE 52 8.274 3.513 1.152 384 HG22 ILE 52 2HG2 ILE 52 8.573 3.717 -0.573 385 HG23 ILE 52 3HG2 ILE 52 7.246 2.694 -0.023 386 HD11 ILE 52 1HD1 ILE 52 6.602 -0.117 -0.603 387 HD12 ILE 52 2HD1 ILE 52 7.712 -0.968 0.472 388 HD13 ILE 52 3HD1 ILE 52 7.086 0.616 0.927 389 H THR 53 H THR 53 11.342 2.150 2.047 390 HA THR 53 HA THR 53 11.299 4.840 2.752 391 HB THR 53 HB THR 53 12.804 4.245 4.607 392 HG1 THR 53 1HG THR 53 13.651 2.136 4.702 393 HG21 THR 53 1HG2 THR 53 11.419 2.379 5.555 394 HG22 THR 53 2HG2 THR 53 10.615 2.264 3.989 395 HG23 THR 53 3HG2 THR 53 10.489 3.744 4.938 396 H GLN 54 H GLN 54 13.587 3.083 0.862 397 HA GLN 54 HA GLN 54 15.774 4.900 1.215 398 HB2 GLN 54 1HB GLN 54 16.017 2.497 0.544 399 HB3 GLN 54 2HB GLN 54 15.342 2.919 -1.024 400 HG2 GLN 54 1HG GLN 54 17.707 2.837 -1.238 401 HG3 GLN 54 2HG GLN 54 17.213 4.527 -1.325 402 HE21 GLN 54 1HE2 GLN 54 18.798 2.096 0.591 403 HE22 GLN 54 2HE2 GLN 54 19.562 3.178 1.698 404 H GLN 55 H GLN 55 13.136 4.543 -1.074 405 HA GLN 55 HA GLN 55 14.078 6.354 -3.020 406 HB2 GLN 55 1HB GLN 55 11.290 5.447 -2.304 407 HB3 GLN 55 2HB GLN 55 11.638 6.495 -3.673 408 HG2 GLN 55 1HG GLN 55 12.270 3.614 -3.278 409 HG3 GLN 55 2HG GLN 55 11.568 4.435 -4.671 410 HE21 GLN 55 1HE2 GLN 55 14.499 3.631 -2.988 411 HE22 GLN 55 2HE2 GLN 55 15.587 4.041 -4.265 412 H MET 56 H MET 56 12.414 6.788 0.013 413 HA MET 56 HA MET 56 13.032 9.559 0.093 414 HB2 MET 56 1HB MET 56 10.885 10.546 -0.074 415 HB3 MET 56 2HB MET 56 11.036 9.488 -1.470 416 HG2 MET 56 1HG MET 56 9.439 9.043 1.030 417 HG3 MET 56 2HG MET 56 8.859 9.188 -0.627 418 HE1 MET 56 1HE MET 56 9.034 5.771 -2.083 419 HE2 MET 56 2HE MET 56 8.004 7.173 -1.797 420 HE3 MET 56 3HE MET 56 9.590 7.382 -2.539 421 HA PRO 57 HA PRO 57 12.752 8.075 4.301 422 HB2 PRO 57 1HB PRO 57 13.895 10.269 5.420 423 HB3 PRO 57 2HB PRO 57 14.830 9.004 4.612 424 HG2 PRO 57 1HG PRO 57 13.942 11.665 3.566 425 HG3 PRO 57 2HG PRO 57 15.511 10.859 3.385 426 HD2 PRO 57 1HD PRO 57 13.641 10.860 1.427 427 HD3 PRO 57 2HD PRO 57 14.761 9.506 1.676 428 H LYS 58 H LYS 58 11.875 11.396 3.371 429 HA LYS 58 HA LYS 58 10.481 12.350 5.445 430 HB2 LYS 58 1HB LYS 58 9.934 12.435 2.512 431 HB3 LYS 58 2HB LYS 58 8.717 13.084 3.605 432 HG2 LYS 58 1HG LYS 58 11.548 13.950 3.924 433 HG3 LYS 58 2HG LYS 58 10.585 14.618 2.604 434 HD2 LYS 58 1HD LYS 58 10.286 16.124 4.376 435 HD3 LYS 58 2HD LYS 58 8.825 15.133 4.384 436 HE2 LYS 58 1HE LYS 58 9.510 13.936 6.269 437 HE3 LYS 58 2HE LYS 58 11.194 14.425 6.082 438 HZ1 LYS 58 1HZ LYS 58 9.730 16.753 6.390 439 HZ2 LYS 58 2HZ LYS 58 10.786 16.050 7.509 440 HZ3 LYS 58 3HZ LYS 58 9.136 15.681 7.557 441 H VAL 59 H VAL 59 9.323 9.817 3.267 442 HA VAL 59 HA VAL 59 6.788 9.579 4.616 443 HB VAL 59 HB VAL 59 8.013 7.633 2.661 444 HG11 VAL 59 1HG1 VAL 59 6.167 6.617 3.691 445 HG12 VAL 59 2HG1 VAL 59 5.230 8.112 3.682 446 HG13 VAL 59 3HG1 VAL 59 5.538 7.254 2.171 447 HG21 VAL 59 1HG2 VAL 59 6.145 9.890 1.979 448 HG22 VAL 59 2HG2 VAL 59 7.898 10.024 1.841 449 HG23 VAL 59 3HG2 VAL 59 7.027 8.833 0.876 450 H HIS 60 H HIS 60 6.307 8.318 6.298 451 HA HIS 60 HA HIS 60 8.337 6.380 7.195 452 HB2 HIS 60 1HB HIS 60 6.562 8.272 8.658 453 HB3 HIS 60 2HB HIS 60 6.913 6.726 9.424 454 HD1 HIS 60 1HD HIS 60 9.699 6.218 9.351 455 HD2 HIS 60 2HD HIS 60 8.357 10.150 9.364 456 HE1 HIS 60 1HE HIS 60 11.652 7.592 10.138 457 H ILE 61 H ILE 61 7.798 4.296 7.300 458 HA ILE 61 HA ILE 61 4.997 3.573 6.797 459 HB ILE 61 HB ILE 61 7.445 1.819 6.572 460 HG12 ILE 61 1HG1 ILE 61 5.867 3.075 4.322 461 HG13 ILE 61 2HG1 ILE 61 7.346 3.779 4.968 462 HG21 ILE 61 1HG2 ILE 61 6.087 0.115 6.073 463 HG22 ILE 61 2HG2 ILE 61 4.813 1.090 6.803 464 HG23 ILE 61 3HG2 ILE 61 5.054 1.118 5.056 465 HD11 ILE 61 1HD1 ILE 61 7.221 0.985 3.880 466 HD12 ILE 61 2HD1 ILE 61 7.586 2.394 2.883 467 HD13 ILE 61 3HD1 ILE 61 8.647 1.963 4.224 468 H GLU 62 H GLU 62 3.817 2.437 8.228 469 HA GLU 62 HA GLU 62 5.179 1.291 10.567 470 HB2 GLU 62 1HB GLU 62 4.286 3.432 11.277 471 HB3 GLU 62 2HB GLU 62 2.710 3.032 10.606 472 HG2 GLU 62 1HG GLU 62 2.304 1.407 12.261 473 HG3 GLU 62 2HG GLU 62 3.986 1.416 12.788 474 H PHE 63 H PHE 63 4.248 -0.547 11.438 475 HA PHE 63 HA PHE 63 2.025 -1.698 9.883 476 HB2 PHE 63 1HB PHE 63 4.608 -2.860 10.792 477 HB3 PHE 63 2HB PHE 63 3.196 -3.911 10.824 478 HD1 PHE 63 2HD PHE 63 1.733 -3.758 8.588 479 HD2 PHE 63 1HD PHE 63 5.887 -2.882 8.897 480 HE1 PHE 63 2HE PHE 63 2.000 -4.188 6.180 481 HE2 PHE 63 1HE PHE 63 6.160 -3.310 6.490 482 HZ PHE 63 HZ PHE 63 4.216 -3.965 5.128 483 H THR 64 H THR 64 0.311 -2.491 10.967 484 HA THR 64 HA THR 64 0.390 -2.308 13.902 485 HB THR 64 HB THR 64 -2.146 -2.282 13.688 486 HG1 THR 64 1HG THR 64 -2.656 -2.841 11.671 487 HG21 THR 64 1HG2 THR 64 -2.199 0.117 13.028 488 HG22 THR 64 2HG2 THR 64 -0.521 -0.030 12.504 489 HG23 THR 64 3HG2 THR 64 -0.939 -0.258 14.203 490 H GLU 65 H GLU 65 -1.403 -3.807 14.900 491 HA GLU 65 HA GLU 65 -0.969 -6.501 13.789 492 HB2 GLU 65 1HB GLU 65 -1.167 -7.354 16.067 493 HB3 GLU 65 2HB GLU 65 0.112 -6.152 15.964 494 HG2 GLU 65 1HG GLU 65 -0.929 -5.539 17.905 495 HG3 GLU 65 2HG GLU 65 -1.747 -4.505 16.735 496 H GLY 66 H GLY 66 -3.302 -4.531 15.622 497 HA2 GLY 66 1HA GLY 66 -5.436 -6.396 14.887 498 HA3 GLY 66 2HA GLY 66 -5.558 -5.091 16.059 499 H GLU 67 H GLU 67 -4.408 -3.083 14.313 500 HA GLU 67 HA GLU 67 -6.769 -2.183 13.060 501 HB2 GLU 67 1HB GLU 67 -3.912 -1.262 12.706 502 HB3 GLU 67 2HB GLU 67 -5.324 -0.402 12.107 503 HG2 GLU 67 1HG GLU 67 -4.646 0.644 14.121 504 HG3 GLU 67 2HG GLU 67 -6.133 -0.240 14.458 505 H ASP 68 H ASP 68 -4.183 -4.190 11.981 506 HA ASP 68 HA ASP 68 -3.646 -5.113 9.961 507 HB2 ASP 68 1HB ASP 68 -6.660 -5.000 9.803 508 HB3 ASP 68 2HB ASP 68 -5.663 -5.855 8.627 509 H LYS 69 H LYS 69 -3.024 -2.553 9.797 510 HA LYS 69 HA LYS 69 -3.507 -1.937 7.018 511 HB2 LYS 69 1HB LYS 69 -4.451 0.223 7.303 512 HB3 LYS 69 2HB LYS 69 -5.410 -0.866 8.297 513 HG2 LYS 69 1HG LYS 69 -4.609 0.004 10.268 514 HG3 LYS 69 2HG LYS 69 -3.125 0.604 9.525 515 HD2 LYS 69 1HD LYS 69 -4.207 2.451 8.583 516 HD3 LYS 69 2HD LYS 69 -5.805 1.729 8.778 517 HE2 LYS 69 1HE LYS 69 -5.719 3.342 10.458 518 HE3 LYS 69 2HE LYS 69 -5.323 1.844 11.299 519 HZ1 LYS 69 1HZ LYS 69 -3.845 3.662 11.924 520 HZ2 LYS 69 2HZ LYS 69 -3.346 3.831 10.317 521 HZ3 LYS 69 3HZ LYS 69 -2.989 2.413 11.167 522 H ILE 70 H ILE 70 -2.108 -0.219 6.225 523 HA ILE 70 HA ILE 70 0.324 0.015 7.865 524 HB ILE 70 HB ILE 70 -0.012 0.190 4.870 525 HG12 ILE 70 1HG1 ILE 70 1.498 -1.825 6.544 526 HG13 ILE 70 2HG1 ILE 70 -0.123 -2.089 5.910 527 HG21 ILE 70 1HG2 ILE 70 2.697 -0.013 5.506 528 HG22 ILE 70 2HG2 ILE 70 1.856 1.391 4.852 529 HG23 ILE 70 3HG2 ILE 70 2.053 1.215 6.596 530 HD11 ILE 70 1HD1 ILE 70 1.549 -1.282 3.766 531 HD12 ILE 70 2HD1 ILE 70 2.358 -2.570 4.658 532 HD13 ILE 70 3HD1 ILE 70 0.735 -2.825 4.018 533 H THR 71 H THR 71 0.383 1.903 8.898 534 HA THR 71 HA THR 71 -0.889 4.264 7.841 535 HB THR 71 HB THR 71 0.921 4.116 10.253 536 HG1 THR 71 1HG THR 71 -1.268 3.938 11.315 537 HG21 THR 71 1HG2 THR 71 0.533 6.341 10.082 538 HG22 THR 71 2HG2 THR 71 -1.004 5.915 10.836 539 HG23 THR 71 3HG2 THR 71 -0.906 6.120 9.088 540 H LEU 72 H LEU 72 0.072 6.070 7.009 541 HA LEU 72 HA LEU 72 2.990 5.972 6.622 542 HB2 LEU 72 1HB LEU 72 0.830 6.671 4.655 543 HB3 LEU 72 2HB LEU 72 2.502 7.184 4.433 544 HG LEU 72 HG LEU 72 2.059 5.223 3.100 545 HD11 LEU 72 1HD1 LEU 72 3.862 3.835 3.820 546 HD12 LEU 72 2HD1 LEU 72 3.716 4.411 5.479 547 HD13 LEU 72 3HD1 LEU 72 4.273 5.505 4.213 548 HD21 LEU 72 1HD2 LEU 72 1.603 3.529 5.504 549 HD22 LEU 72 2HD2 LEU 72 1.080 3.291 3.836 550 HD23 LEU 72 3HD2 LEU 72 0.252 4.465 4.862 551 H GLU 73 H GLU 73 4.097 7.816 7.009 552 HA GLU 73 HA GLU 73 2.538 10.254 7.557 553 HB2 GLU 73 1HB GLU 73 3.109 9.775 9.714 554 HB3 GLU 73 2HB GLU 73 4.524 8.842 9.247 555 HG2 GLU 73 1HG GLU 73 5.726 10.918 8.762 556 HG3 GLU 73 2HG GLU 73 4.309 11.844 9.254 557 H GLY 74 H GLY 74 3.245 12.065 6.598 558 HA2 GLY 74 1HA GLY 74 5.665 13.077 6.123 559 HA3 GLY 74 2HA GLY 74 5.571 11.859 4.859 560 HA PRO 75 HA PRO 75 3.783 15.871 3.294 561 HB2 PRO 75 1HB PRO 75 5.302 15.970 1.046 562 HB3 PRO 75 2HB PRO 75 5.827 16.649 2.591 563 HG2 PRO 75 1HG PRO 75 6.539 14.027 1.335 564 HG3 PRO 75 2HG PRO 75 7.586 15.188 2.173 565 HD2 PRO 75 1HD PRO 75 6.652 12.945 3.367 566 HD3 PRO 75 2HD PRO 75 6.948 14.450 4.260 567 H THR 76 H THR 76 1.876 15.550 2.349 568 HA THR 76 HA THR 76 0.862 13.347 1.174 569 HB THR 76 HB THR 76 -0.497 15.331 1.617 570 HG1 THR 76 1HG THR 76 -1.640 14.128 0.256 571 HG21 THR 76 1HG2 THR 76 -0.521 17.132 -0.174 572 HG22 THR 76 2HG2 THR 76 1.022 16.474 -0.719 573 HG23 THR 76 3HG2 THR 76 0.869 17.132 0.910 574 H GLU 77 H GLU 77 3.159 15.522 -0.242 575 HA GLU 77 HA GLU 77 2.789 14.873 -2.958 576 HB2 GLU 77 1HB GLU 77 4.081 16.820 -2.264 577 HB3 GLU 77 2HB GLU 77 5.276 15.781 -1.503 578 HG2 GLU 77 1HG GLU 77 6.123 16.560 -3.604 579 HG3 GLU 77 2HG GLU 77 5.815 14.827 -3.708 580 H ASP 78 H ASP 78 5.096 13.600 -0.565 581 HA ASP 78 HA ASP 78 5.932 11.505 -2.383 582 HB2 ASP 78 1HB ASP 78 6.719 12.227 0.440 583 HB3 ASP 78 2HB ASP 78 7.334 10.795 -0.380 584 H VAL 79 H VAL 79 4.022 11.829 0.563 585 HA VAL 79 HA VAL 79 3.671 9.212 1.311 586 HB VAL 79 HB VAL 79 1.511 11.325 1.271 587 HG11 VAL 79 1HG1 VAL 79 0.700 9.025 1.662 588 HG12 VAL 79 2HG1 VAL 79 1.805 8.893 3.032 589 HG13 VAL 79 3HG1 VAL 79 0.492 10.070 3.068 590 HG21 VAL 79 1HG2 VAL 79 3.055 10.724 3.724 591 HG22 VAL 79 2HG2 VAL 79 3.884 11.638 2.463 592 HG23 VAL 79 3HG2 VAL 79 2.381 12.251 3.152 593 H SER 80 H SER 80 1.951 10.979 -1.232 594 HA SER 80 HA SER 80 0.121 8.943 -1.888 595 HB2 SER 80 1HB SER 80 -0.454 10.247 -3.749 596 HB3 SER 80 2HB SER 80 0.149 11.439 -2.598 597 HG SER 80 HG SER 80 2.230 11.152 -3.711 598 H VAL 81 H VAL 81 3.406 9.605 -2.947 599 HA VAL 81 HA VAL 81 3.428 7.689 -5.058 600 HB VAL 81 HB VAL 81 5.735 8.929 -3.551 601 HG11 VAL 81 1HG1 VAL 81 6.684 7.068 -4.550 602 HG12 VAL 81 2HG1 VAL 81 5.605 7.137 -5.944 603 HG13 VAL 81 3HG1 VAL 81 6.911 8.312 -5.778 604 HG21 VAL 81 1HG2 VAL 81 3.961 10.247 -5.084 605 HG22 VAL 81 2HG2 VAL 81 5.662 10.694 -4.963 606 HG23 VAL 81 3HG2 VAL 81 5.101 9.721 -6.322 607 H ALA 82 H ALA 82 4.487 7.652 -1.680 608 HA ALA 82 HA ALA 82 5.604 5.044 -1.757 609 HB1 ALA 82 1HB ALA 82 5.813 7.022 -0.004 610 HB2 ALA 82 2HB ALA 82 4.528 6.115 0.794 611 HB3 ALA 82 3HB ALA 82 6.075 5.338 0.452 612 H GLN 83 H GLN 83 2.570 6.210 -0.274 613 HA GLN 83 HA GLN 83 1.492 3.797 0.466 614 HB2 GLN 83 1HB GLN 83 -0.571 4.874 0.644 615 HB3 GLN 83 2HB GLN 83 0.588 6.186 0.807 616 HG2 GLN 83 1HG GLN 83 0.205 6.908 -1.425 617 HG3 GLN 83 2HG GLN 83 -0.749 5.470 -1.787 618 HE21 GLN 83 1HE2 GLN 83 -2.877 5.511 -1.436 619 HE22 GLN 83 2HE2 GLN 83 -3.732 6.802 -0.670 620 H GLU 84 H GLU 84 1.576 5.256 -2.725 621 HA GLU 84 HA GLU 84 -0.231 3.437 -3.952 622 HB2 GLU 84 1HB GLU 84 0.317 5.654 -4.899 623 HB3 GLU 84 2HB GLU 84 1.954 5.098 -5.218 624 HG2 GLU 84 1HG GLU 84 1.161 3.485 -6.803 625 HG3 GLU 84 2HG GLU 84 -0.515 3.852 -6.400 626 H GLN 85 H GLN 85 3.323 3.645 -3.928 627 HA GLN 85 HA GLN 85 3.900 1.437 -5.486 628 HB2 GLN 85 1HB GLN 85 5.337 2.771 -3.220 629 HB3 GLN 85 2HB GLN 85 5.987 1.293 -3.916 630 HG2 GLN 85 1HG GLN 85 5.948 2.407 -6.143 631 HG3 GLN 85 2HG GLN 85 5.484 3.900 -5.327 632 HE21 GLN 85 1HE2 GLN 85 6.983 4.322 -3.336 633 HE22 GLN 85 2HE2 GLN 85 8.673 4.227 -3.681 634 H ILE 86 H ILE 86 3.130 1.586 -2.044 635 HA ILE 86 HA ILE 86 3.642 -1.157 -1.510 636 HB ILE 86 HB ILE 86 1.866 0.774 -0.013 637 HG12 ILE 86 1HG1 ILE 86 4.689 -0.063 0.653 638 HG13 ILE 86 2HG1 ILE 86 4.322 1.378 -0.289 639 HG21 ILE 86 1HG2 ILE 86 1.201 -1.275 0.799 640 HG22 ILE 86 2HG2 ILE 86 2.786 -2.008 0.549 641 HG23 ILE 86 3HG2 ILE 86 2.534 -0.887 1.887 642 HD11 ILE 86 1HD1 ILE 86 2.724 1.504 2.018 643 HD12 ILE 86 2HD1 ILE 86 4.342 1.031 2.538 644 HD13 ILE 86 3HD1 ILE 86 4.114 2.504 1.597 645 H GLU 87 H GLU 87 0.692 0.664 -2.259 646 HA GLU 87 HA GLU 87 -1.187 -1.341 -1.932 647 HB2 GLU 87 1HB GLU 87 -1.038 1.052 -3.728 648 HB3 GLU 87 2HB GLU 87 -2.374 -0.079 -3.893 649 HG2 GLU 87 1HG GLU 87 -2.561 0.273 -1.296 650 HG3 GLU 87 2HG GLU 87 -1.722 1.778 -1.669 651 H GLY 88 H GLY 88 1.085 -0.820 -4.540 652 HA2 GLY 88 1HA GLY 88 -0.121 -2.595 -6.408 653 HA3 GLY 88 2HA GLY 88 1.539 -2.018 -6.450 654 H MET 89 H MET 89 2.542 -3.004 -4.088 655 HA MET 89 HA MET 89 3.050 -5.708 -4.785 656 HB2 MET 89 1HB MET 89 4.521 -5.759 -2.916 657 HB3 MET 89 2HB MET 89 4.647 -4.149 -3.611 658 HG2 MET 89 1HG MET 89 3.655 -3.145 -1.824 659 HG3 MET 89 2HG MET 89 2.699 -4.567 -1.415 660 HE1 MET 89 1HE MET 89 6.489 -3.087 0.306 661 HE2 MET 89 2HE MET 89 5.291 -2.337 -0.749 662 HE3 MET 89 3HE MET 89 4.876 -2.725 0.922 663 H VAL 90 H VAL 90 0.677 -4.185 -2.830 664 HA VAL 90 HA VAL 90 0.110 -6.343 -1.071 665 HB VAL 90 HB VAL 90 -1.473 -3.932 -1.926 666 HG11 VAL 90 1HG1 VAL 90 -3.349 -4.997 -1.365 667 HG12 VAL 90 2HG1 VAL 90 -2.461 -6.376 -0.711 668 HG13 VAL 90 3HG1 VAL 90 -2.756 -4.957 0.296 669 HG21 VAL 90 1HG2 VAL 90 0.251 -4.689 0.345 670 HG22 VAL 90 2HG2 VAL 90 -0.026 -3.112 -0.394 671 HG23 VAL 90 3HG2 VAL 90 -1.201 -3.770 0.745 672 H LYS 91 H LYS 91 -1.795 -5.114 -3.829 673 HA LYS 91 HA LYS 91 -3.565 -7.248 -3.999 674 HB2 LYS 91 1HB LYS 91 -3.844 -6.528 -6.404 675 HB3 LYS 91 2HB LYS 91 -4.068 -5.262 -5.203 676 HG2 LYS 91 1HG LYS 91 -1.489 -4.875 -5.687 677 HG3 LYS 91 2HG LYS 91 -1.936 -5.606 -7.231 678 HD2 LYS 91 1HD LYS 91 -3.627 -3.417 -6.108 679 HD3 LYS 91 2HD LYS 91 -2.093 -3.010 -6.883 680 HE2 LYS 91 1HE LYS 91 -2.785 -3.794 -8.952 681 HE3 LYS 91 2HE LYS 91 -4.035 -4.824 -8.255 682 HZ1 LYS 91 1HZ LYS 91 -4.628 -2.578 -9.431 683 HZ2 LYS 91 2HZ LYS 91 -4.279 -1.927 -7.910 684 HZ3 LYS 91 3HZ LYS 91 -5.488 -3.099 -8.071 685 H ASP 92 H ASP 92 -0.479 -6.764 -5.689 686 HA ASP 92 HA ASP 92 -0.525 -9.075 -7.252 687 HB2 ASP 92 1HB ASP 92 1.143 -7.043 -7.187 688 HB3 ASP 92 2HB ASP 92 2.053 -8.084 -6.096 689 H LEU 93 H LEU 93 0.810 -8.561 -4.000 690 HA LEU 93 HA LEU 93 1.880 -11.098 -3.596 691 HB2 LEU 93 1HB LEU 93 0.913 -8.914 -1.839 692 HB3 LEU 93 2HB LEU 93 1.155 -10.497 -1.105 693 HG LEU 93 HG LEU 93 3.271 -8.925 -2.575 694 HD11 LEU 93 1HD1 LEU 93 3.480 -7.753 -0.703 695 HD12 LEU 93 2HD1 LEU 93 3.971 -9.241 0.103 696 HD13 LEU 93 3HD1 LEU 93 2.279 -8.745 0.125 697 HD21 LEU 93 1HD2 LEU 93 4.620 -10.697 -2.393 698 HD22 LEU 93 2HD2 LEU 93 3.147 -11.632 -2.139 699 HD23 LEU 93 3HD2 LEU 93 4.075 -11.057 -0.754 700 H ILE 94 H ILE 94 -1.345 -9.885 -2.694 701 HA ILE 94 HA ILE 94 -2.307 -12.328 -1.678 702 HB ILE 94 HB ILE 94 -3.905 -10.071 -2.893 703 HG12 ILE 94 1HG1 ILE 94 -3.245 -10.561 0.016 704 HG13 ILE 94 2HG1 ILE 94 -2.354 -9.441 -1.008 705 HG21 ILE 94 1HG2 ILE 94 -5.604 -11.020 -1.168 706 HG22 ILE 94 2HG2 ILE 94 -5.415 -11.808 -2.734 707 HG23 ILE 94 3HG2 ILE 94 -4.641 -12.491 -1.304 708 HD11 ILE 94 1HD1 ILE 94 -5.256 -9.269 -0.239 709 HD12 ILE 94 2HD1 ILE 94 -3.943 -8.222 0.299 710 HD13 ILE 94 3HD1 ILE 94 -4.457 -8.196 -1.388 711 H ASN 95 H ASN 95 -2.435 -10.893 -4.906 712 HA ASN 95 HA ASN 95 -4.185 -12.612 -6.166 713 HB2 ASN 95 1HB ASN 95 -1.747 -11.144 -7.135 714 HB3 ASN 95 2HB ASN 95 -2.657 -12.185 -8.224 715 HD21 ASN 95 1HD2 ASN 95 -2.284 -9.354 -8.420 716 HD22 ASN 95 2HD2 ASN 95 -3.851 -8.630 -8.343 717 H ARG 96 H ARG 96 -0.703 -13.040 -5.636 718 HA ARG 96 HA ARG 96 -0.384 -15.442 -7.019 719 HB2 ARG 96 1HB ARG 96 1.076 -14.121 -4.767 720 HB3 ARG 96 2HB ARG 96 1.491 -15.774 -5.202 721 HG2 ARG 96 1HG ARG 96 1.443 -13.532 -7.200 722 HG3 ARG 96 2HG ARG 96 2.876 -13.955 -6.261 723 HD2 ARG 96 1HD ARG 96 2.986 -16.113 -7.234 724 HD3 ARG 96 2HD ARG 96 1.377 -15.953 -7.937 725 HE ARG 96 HE ARG 96 2.318 -14.879 -9.717 726 HH11 ARG 96 1HH1 ARG 96 4.548 -14.780 -7.045 727 HH12 ARG 96 2HH1 ARG 96 5.830 -14.072 -7.971 728 HH21 ARG 96 1HH2 ARG 96 3.998 -13.947 -10.947 729 HH22 ARG 96 2HH2 ARG 96 5.516 -13.598 -10.191 730 H SER 97 H SER 97 -1.318 -14.839 -3.659 731 HA SER 97 HA SER 97 -2.613 -17.424 -3.542 732 HB2 SER 97 1HB SER 97 -0.244 -17.887 -2.878 733 HB3 SER 97 2HB SER 97 -0.447 -16.764 -1.533 734 HG SER 97 HG SER 97 -2.347 -18.779 -1.800 735 H GLY 98 H GLY 98 -4.253 -17.510 -2.040 736 HA2 GLY 98 1HA GLY 98 -4.707 -16.185 0.252 737 HA3 GLY 98 2HA GLY 98 -5.064 -14.950 -0.945 738 HA PRO 99 HA PRO 99 -9.009 -17.177 -0.142 739 HB2 PRO 99 1HB PRO 99 -10.545 -14.940 -0.264 740 HB3 PRO 99 2HB PRO 99 -9.723 -15.462 1.211 741 HG2 PRO 99 1HG PRO 99 -8.906 -13.379 -0.777 742 HG3 PRO 99 2HG PRO 99 -8.846 -13.319 0.994 743 HD2 PRO 99 1HD PRO 99 -6.663 -13.837 -0.522 744 HD3 PRO 99 2HD PRO 99 -6.893 -14.538 1.094 745 H SER 100 H SER 100 -11.062 -17.087 -1.460 746 HA SER 100 HA SER 100 -10.347 -16.777 -4.287 747 HB2 SER 100 1HB SER 100 -11.102 -18.981 -3.851 748 HB3 SER 100 2HB SER 100 -12.451 -18.410 -2.869 749 HG SER 100 HG SER 100 -12.324 -17.592 -5.537 750 H SER 101 H SER 101 -11.424 -15.444 -5.647 751 HA SER 101 HA SER 101 -12.787 -13.223 -4.650 752 HB2 SER 101 1HB SER 101 -12.707 -14.392 -7.439 753 HB3 SER 101 2HB SER 101 -13.436 -12.832 -7.056 754 HG SER 101 HG SER 101 -11.453 -12.055 -6.466 755 H GLY 102 H GLY 102 -14.682 -13.263 -3.634 756 HA2 GLY 102 1HA GLY 102 -16.963 -14.491 -4.976 757 HA3 GLY 102 2HA GLY 102 -16.583 -15.091 -3.369
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