NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19213 | 2eed | 10163 | 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 H GLY 1 5.045 20.827 -8.362 2 HA2 GLY 1 1HA GLY 1 5.224 21.845 -5.743 3 HA3 GLY 1 2HA GLY 1 4.724 20.162 -5.659 4 H SER 2 H SER 2 7.335 22.181 -5.633 5 HA SER 2 HA SER 2 9.181 20.373 -6.963 6 HB2 SER 2 1HB SER 2 10.888 22.060 -6.420 7 HB3 SER 2 2HB SER 2 9.498 22.796 -7.218 8 HG SER 2 HG SER 2 9.128 23.928 -5.487 9 H SER 3 H SER 3 8.598 21.622 -3.691 10 HA SER 3 HA SER 3 10.195 19.376 -2.644 11 HB2 SER 3 1HB SER 3 11.171 21.631 -2.200 12 HB3 SER 3 2HB SER 3 9.712 22.045 -1.298 13 HG SER 3 HG SER 3 10.284 19.995 -0.088 14 H GLY 4 H GLY 4 9.399 18.215 -0.891 15 HA2 GLY 4 1HA GLY 4 6.566 18.744 -0.235 16 HA3 GLY 4 2HA GLY 4 7.209 17.123 -0.456 17 H SER 5 H SER 5 9.189 16.682 1.022 18 HA SER 5 HA SER 5 9.574 16.057 3.216 19 HB2 SER 5 1HB SER 5 10.672 17.817 4.413 20 HB3 SER 5 2HB SER 5 10.983 18.093 2.699 21 HG SER 5 HG SER 5 8.899 19.445 2.997 22 H SER 6 H SER 6 6.805 16.166 2.772 23 HA SER 6 HA SER 6 5.882 16.491 5.467 24 HB2 SER 6 1HB SER 6 5.112 18.465 3.349 25 HB3 SER 6 2HB SER 6 3.929 18.013 4.576 26 HG SER 6 HG SER 6 4.993 19.140 5.996 27 H GLY 7 H GLY 7 3.997 15.356 5.873 28 HA2 GLY 7 1HA GLY 7 1.994 14.241 5.210 29 HA3 GLY 7 2HA GLY 7 2.630 14.139 3.575 30 H SER 8 H SER 8 3.632 13.096 6.837 31 HA SER 8 HA SER 8 5.039 10.827 5.902 32 HB2 SER 8 1HB SER 8 5.193 12.073 8.189 33 HB3 SER 8 2HB SER 8 3.892 10.986 8.674 34 HG SER 8 HG SER 8 6.517 10.481 8.469 35 H SER 9 H SER 9 4.327 8.906 5.265 36 HA SER 9 HA SER 9 1.493 8.285 5.550 37 HB2 SER 9 1HB SER 9 3.682 6.976 3.922 38 HB3 SER 9 2HB SER 9 2.001 6.443 3.938 39 HG SER 9 HG SER 9 3.157 8.597 2.681 40 H ASP 10 H ASP 10 0.707 6.795 6.896 41 HA ASP 10 HA ASP 10 2.631 5.081 8.326 42 HB2 ASP 10 1HB ASP 10 0.207 6.567 9.215 43 HB3 ASP 10 2HB ASP 10 0.540 5.016 9.981 44 H ALA 11 H ALA 11 2.178 2.915 8.609 45 HA ALA 11 HA ALA 11 0.258 1.804 6.722 46 HB1 ALA 11 3HB ALA 11 2.760 0.938 7.898 47 HB2 ALA 11 1HB ALA 11 1.522 -0.317 7.976 48 HB3 ALA 11 2HB ALA 11 1.958 0.398 6.423 49 H SER 12 H SER 12 0.980 1.694 10.191 50 HA SER 12 HA SER 12 -0.835 -0.154 11.073 51 HB2 SER 12 1HB SER 12 -0.154 2.487 12.390 52 HB3 SER 12 2HB SER 12 -0.910 1.113 13.198 53 HG SER 12 HG SER 12 1.031 -0.082 12.464 54 H LYS 13 H LYS 13 -1.480 2.922 9.673 55 HA LYS 13 HA LYS 13 -4.162 3.161 10.690 56 HB2 LYS 13 1HB LYS 13 -2.853 4.617 8.387 57 HB3 LYS 13 2HB LYS 13 -4.346 5.077 9.195 58 HG2 LYS 13 1HG LYS 13 -1.660 4.948 10.548 59 HG3 LYS 13 2HG LYS 13 -2.369 6.415 9.868 60 HD2 LYS 13 1HD LYS 13 -3.970 4.811 11.804 61 HD3 LYS 13 2HD LYS 13 -2.656 5.816 12.418 62 HE2 LYS 13 1HE LYS 13 -4.564 7.030 10.490 63 HE3 LYS 13 2HE LYS 13 -5.124 6.743 12.136 64 HZ1 LYS 13 3HZ LYS 13 -3.883 8.405 12.918 65 HZ2 LYS 13 1HZ LYS 13 -3.753 8.920 11.312 66 HZ3 LYS 13 2HZ LYS 13 -2.529 7.976 11.999 67 H VAL 14 H VAL 14 -2.658 2.181 7.638 68 HA VAL 14 HA VAL 14 -4.879 1.882 6.038 69 HB VAL 14 HB VAL 14 -2.362 0.229 6.168 70 HG11 VAL 14 1HG1 VAL 14 -3.371 -1.313 4.919 71 HG12 VAL 14 2HG1 VAL 14 -4.818 -0.320 4.737 72 HG13 VAL 14 3HG1 VAL 14 -3.455 -0.103 3.639 73 HG21 VAL 14 3HG2 VAL 14 -3.325 2.439 4.359 74 HG22 VAL 14 1HG2 VAL 14 -1.969 2.484 5.486 75 HG23 VAL 14 2HG2 VAL 14 -1.886 1.469 4.046 76 H THR 15 H THR 15 -6.673 0.729 6.216 77 HA THR 15 HA THR 15 -6.649 -1.664 7.932 78 HB THR 15 HB THR 15 -9.147 -1.330 8.043 79 HG1 THR 15 1HG THR 15 -10.012 0.505 7.237 80 HG21 THR 15 3HG2 THR 15 -7.721 1.094 9.092 81 HG22 THR 15 1HG2 THR 15 -7.389 -0.510 9.743 82 HG23 THR 15 2HG2 THR 15 -9.017 0.161 9.839 83 H SER 16 H SER 16 -7.769 -3.531 7.260 84 HA SER 16 HA SER 16 -8.628 -3.621 4.460 85 HB2 SER 16 1HB SER 16 -7.353 -5.691 4.073 86 HB3 SER 16 2HB SER 16 -6.281 -4.348 4.471 87 HG SER 16 HG SER 16 -7.216 -6.004 6.531 88 H LYS 17 H LYS 17 -10.265 -5.045 4.035 89 HA LYS 17 HA LYS 17 -11.137 -6.833 6.190 90 HB2 LYS 17 1HB LYS 17 -13.378 -6.074 6.138 91 HB3 LYS 17 2HB LYS 17 -12.389 -4.623 6.239 92 HG2 LYS 17 1HG LYS 17 -13.323 -5.652 3.590 93 HG3 LYS 17 2HG LYS 17 -14.378 -4.668 4.608 94 HD2 LYS 17 1HD LYS 17 -11.609 -3.703 4.104 95 HD3 LYS 17 2HD LYS 17 -12.786 -3.582 2.794 96 HE2 LYS 17 1HE LYS 17 -13.149 -2.481 5.579 97 HE3 LYS 17 2HE LYS 17 -12.685 -1.538 4.163 98 HZ1 LYS 17 3HZ LYS 17 -14.857 -2.540 3.190 99 HZ2 LYS 17 1HZ LYS 17 -14.936 -1.206 4.228 100 HZ3 LYS 17 2HZ LYS 17 -15.277 -2.756 4.814 101 H GLY 18 H GLY 18 -12.677 -8.483 5.462 102 HA2 GLY 18 1HA GLY 18 -13.799 -9.332 3.350 103 HA3 GLY 18 2HA GLY 18 -12.207 -9.156 2.627 104 H ALA 19 H ALA 19 -13.046 -11.543 2.278 105 HA ALA 19 HA ALA 19 -12.441 -13.274 4.531 106 HB1 ALA 19 3HB ALA 19 -13.574 -14.893 3.440 107 HB2 ALA 19 1HB ALA 19 -14.231 -13.524 2.542 108 HB3 ALA 19 2HB ALA 19 -12.897 -14.461 1.870 109 H GLY 20 H GLY 20 -11.239 -12.849 1.196 110 HA2 GLY 20 1HA GLY 20 -9.211 -14.589 1.007 111 HA3 GLY 20 2HA GLY 20 -9.040 -12.932 0.447 112 H LEU 21 H LEU 21 -9.134 -11.685 3.012 113 HA LEU 21 HA LEU 21 -6.398 -11.910 3.734 114 HB2 LEU 21 1HB LEU 21 -8.621 -10.552 5.249 115 HB3 LEU 21 2HB LEU 21 -6.892 -10.263 5.433 116 HG LEU 21 HG LEU 21 -8.206 -9.765 2.794 117 HD11 LEU 21 1HD1 LEU 21 -8.387 -8.054 5.250 118 HD12 LEU 21 2HD1 LEU 21 -9.666 -8.528 4.134 119 HD13 LEU 21 3HD1 LEU 21 -8.445 -7.361 3.629 120 HD21 LEU 21 3HD2 LEU 21 -5.631 -9.623 3.623 121 HD22 LEU 21 1HD2 LEU 21 -6.166 -7.967 3.904 122 HD23 LEU 21 2HD2 LEU 21 -6.304 -8.677 2.296 123 H SER 22 H SER 22 -9.412 -12.999 5.227 124 HA SER 22 HA SER 22 -8.058 -14.114 7.516 125 HB2 SER 22 1HB SER 22 -10.457 -13.178 7.448 126 HB3 SER 22 2HB SER 22 -10.898 -14.717 6.706 127 HG SER 22 HG SER 22 -9.587 -15.522 8.687 128 H LYS 23 H LYS 23 -9.989 -15.512 4.861 129 HA LYS 23 HA LYS 23 -8.162 -17.750 4.671 130 HB2 LYS 23 1HB LYS 23 -9.901 -19.453 4.993 131 HB3 LYS 23 2HB LYS 23 -9.656 -18.500 6.450 132 HG2 LYS 23 1HG LYS 23 -11.678 -17.362 6.189 133 HG3 LYS 23 2HG LYS 23 -11.826 -17.834 4.494 134 HD2 LYS 23 1HD LYS 23 -13.358 -19.211 5.593 135 HD3 LYS 23 2HD LYS 23 -11.939 -20.242 5.387 136 HE2 LYS 23 1HE LYS 23 -11.306 -19.294 7.752 137 HE3 LYS 23 2HE LYS 23 -13.038 -18.982 7.858 138 HZ1 LYS 23 3HZ LYS 23 -11.813 -21.624 7.274 139 HZ2 LYS 23 1HZ LYS 23 -13.466 -21.308 7.447 140 HZ3 LYS 23 2HZ LYS 23 -12.431 -21.147 8.775 141 H ALA 24 H ALA 24 -8.540 -19.069 2.789 142 HA ALA 24 HA ALA 24 -10.349 -17.854 0.810 143 HB1 ALA 24 3HB ALA 24 -7.687 -18.929 -0.025 144 HB2 ALA 24 1HB ALA 24 -8.732 -17.764 -0.840 145 HB3 ALA 24 2HB ALA 24 -7.827 -17.285 0.597 146 H PHE 25 H PHE 25 -10.542 -19.353 -1.170 147 HA PHE 25 HA PHE 25 -10.479 -22.176 -0.378 148 HB2 PHE 25 1HB PHE 25 -12.880 -20.703 -1.472 149 HB3 PHE 25 2HB PHE 25 -12.763 -22.457 -1.381 150 HD1 PHE 25 2HD PHE 25 -12.259 -19.511 0.857 151 HD2 PHE 25 1HD PHE 25 -13.781 -23.459 0.404 152 HE1 PHE 25 2HE PHE 25 -13.111 -19.443 3.164 153 HE2 PHE 25 1HE PHE 25 -14.636 -23.398 2.710 154 HZ PHE 25 HZ PHE 25 -14.300 -21.389 4.094 155 H VAL 26 H VAL 26 -9.759 -23.491 -1.935 156 HA VAL 26 HA VAL 26 -8.517 -22.648 -4.221 157 HB VAL 26 HB VAL 26 -9.889 -25.320 -3.900 158 HG11 VAL 26 1HG1 VAL 26 -7.361 -24.924 -5.418 159 HG12 VAL 26 2HG1 VAL 26 -8.643 -26.114 -5.647 160 HG13 VAL 26 3HG1 VAL 26 -8.881 -24.448 -6.175 161 HG21 VAL 26 3HG2 VAL 26 -8.507 -25.592 -2.165 162 HG22 VAL 26 1HG2 VAL 26 -7.210 -25.665 -3.358 163 HG23 VAL 26 2HG2 VAL 26 -7.590 -24.138 -2.561 164 H GLY 27 H GLY 27 -9.107 -22.013 -6.205 165 HA2 GLY 27 1HA GLY 27 -10.412 -21.897 -8.140 166 HA3 GLY 27 2HA GLY 27 -11.679 -22.789 -7.310 167 H GLN 28 H GLN 28 -12.161 -21.253 -5.108 168 HA GLN 28 HA GLN 28 -13.821 -19.233 -6.131 169 HB2 GLN 28 1HB GLN 28 -12.808 -19.548 -3.300 170 HB3 GLN 28 2HB GLN 28 -14.209 -18.610 -3.801 171 HG2 GLN 28 1HG GLN 28 -15.203 -20.744 -4.666 172 HG3 GLN 28 2HG GLN 28 -13.871 -21.594 -3.885 173 HE21 GLN 28 1HE2 GLN 28 -14.530 -22.500 -2.082 174 HE22 GLN 28 2HE2 GLN 28 -15.601 -21.804 -0.919 175 H LYS 29 H LYS 29 -13.506 -17.140 -6.566 176 HA LYS 29 HA LYS 29 -10.836 -16.074 -6.459 177 HB2 LYS 29 1HB LYS 29 -12.781 -15.706 -8.221 178 HB3 LYS 29 2HB LYS 29 -13.191 -14.374 -7.148 179 HG2 LYS 29 1HG LYS 29 -10.719 -13.703 -7.380 180 HG3 LYS 29 2HG LYS 29 -10.714 -14.783 -8.776 181 HD2 LYS 29 1HD LYS 29 -12.895 -12.771 -8.558 182 HD3 LYS 29 2HD LYS 29 -11.284 -12.211 -9.014 183 HE2 LYS 29 1HE LYS 29 -12.223 -12.669 -11.070 184 HE3 LYS 29 2HE LYS 29 -11.382 -14.178 -10.716 185 HZ1 LYS 29 3HZ LYS 29 -14.240 -13.762 -10.060 186 HZ2 LYS 29 1HZ LYS 29 -13.386 -15.221 -10.125 187 HZ3 LYS 29 2HZ LYS 29 -13.733 -14.381 -11.551 188 H SER 30 H SER 30 -10.094 -15.455 -4.523 189 HA SER 30 HA SER 30 -11.853 -14.196 -2.588 190 HB2 SER 30 1HB SER 30 -9.064 -15.272 -2.544 191 HB3 SER 30 2HB SER 30 -9.533 -14.091 -1.321 192 HG SER 30 HG SER 30 -11.178 -16.313 -1.833 193 H SER 31 H SER 31 -12.023 -12.077 -2.243 194 HA SER 31 HA SER 31 -9.963 -10.301 -3.371 195 HB2 SER 31 1HB SER 31 -11.512 -8.938 -4.402 196 HB3 SER 31 2HB SER 31 -12.318 -10.497 -4.573 197 HG SER 31 HG SER 31 -13.335 -9.891 -2.467 198 H PHE 32 H PHE 32 -9.709 -8.268 -2.309 199 HA PHE 32 HA PHE 32 -11.071 -7.855 0.220 200 HB2 PHE 32 1HB PHE 32 -8.973 -7.719 1.512 201 HB3 PHE 32 2HB PHE 32 -9.245 -9.337 0.873 202 HD1 PHE 32 1HD PHE 32 -7.259 -6.264 0.514 203 HD2 PHE 32 2HD PHE 32 -7.755 -10.312 -0.703 204 HE1 PHE 32 1HE PHE 32 -5.030 -6.220 -0.528 205 HE2 PHE 32 2HE PHE 32 -5.527 -10.275 -1.746 206 HZ PHE 32 HZ PHE 32 -4.161 -8.228 -1.659 207 H LEU 33 H LEU 33 -11.053 -5.738 0.897 208 HA LEU 33 HA LEU 33 -9.883 -3.827 -1.002 209 HB2 LEU 33 1HB LEU 33 -12.413 -3.962 -0.341 210 HB3 LEU 33 2HB LEU 33 -11.881 -3.066 1.080 211 HG LEU 33 HG LEU 33 -12.825 -1.668 -0.769 212 HD11 LEU 33 1HD1 LEU 33 -11.533 0.064 -0.136 213 HD12 LEU 33 2HD1 LEU 33 -10.031 -0.768 -0.536 214 HD13 LEU 33 3HD1 LEU 33 -10.853 -1.118 0.984 215 HD21 LEU 33 3HD2 LEU 33 -10.234 -2.147 -2.201 216 HD22 LEU 33 1HD2 LEU 33 -11.700 -1.365 -2.790 217 HD23 LEU 33 2HD2 LEU 33 -11.670 -3.112 -2.547 218 H VAL 34 H VAL 34 -8.646 -2.096 -0.312 219 HA VAL 34 HA VAL 34 -7.792 -2.164 2.509 220 HB VAL 34 HB VAL 34 -6.027 -1.535 0.140 221 HG11 VAL 34 1HG1 VAL 34 -4.273 -1.220 1.622 222 HG12 VAL 34 2HG1 VAL 34 -5.626 -0.463 2.465 223 HG13 VAL 34 3HG1 VAL 34 -5.089 -2.078 2.929 224 HG21 VAL 34 3HG2 VAL 34 -5.208 -3.820 1.669 225 HG22 VAL 34 1HG2 VAL 34 -6.862 -4.038 1.095 226 HG23 VAL 34 2HG2 VAL 34 -5.567 -3.701 -0.054 227 H ASP 35 H ASP 35 -8.562 -0.394 3.455 228 HA ASP 35 HA ASP 35 -9.004 2.043 1.960 229 HB2 ASP 35 1HB ASP 35 -10.546 1.139 3.776 230 HB3 ASP 35 2HB ASP 35 -9.330 1.666 4.936 231 H CYS 36 H CYS 36 -7.632 3.688 1.807 232 HA CYS 36 HA CYS 36 -5.519 3.966 3.833 233 HB2 CYS 36 1HB CYS 36 -5.188 4.123 0.832 234 HB3 CYS 36 2HB CYS 36 -3.965 4.645 1.984 235 HG CYS 36 HG CYS 36 -4.878 1.521 1.098 236 H SER 37 H SER 37 -8.084 5.337 3.456 237 HA SER 37 HA SER 37 -7.738 7.872 2.289 238 HB2 SER 37 1HB SER 37 -9.954 6.982 2.813 239 HB3 SER 37 2HB SER 37 -9.584 7.027 4.536 240 HG SER 37 HG SER 37 -9.185 9.387 4.062 241 H LYS 38 H LYS 38 -7.360 6.770 5.642 242 HA LYS 38 HA LYS 38 -6.024 9.321 6.260 243 HB2 LYS 38 1HB LYS 38 -6.606 8.983 8.564 244 HB3 LYS 38 2HB LYS 38 -8.058 8.759 7.598 245 HG2 LYS 38 1HG LYS 38 -7.413 6.244 7.687 246 HG3 LYS 38 2HG LYS 38 -6.436 6.735 9.072 247 HD2 LYS 38 1HD LYS 38 -8.624 7.903 9.861 248 HD3 LYS 38 2HD LYS 38 -9.408 6.800 8.727 249 HE2 LYS 38 1HE LYS 38 -7.529 5.923 10.914 250 HE3 LYS 38 2HE LYS 38 -9.283 5.963 11.080 251 HZ1 LYS 38 3HZ LYS 38 -8.124 3.783 10.380 252 HZ2 LYS 38 1HZ LYS 38 -8.056 4.492 8.845 253 HZ3 LYS 38 2HZ LYS 38 -9.551 4.242 9.596 254 H ALA 39 H ALA 39 -4.771 7.059 4.923 255 HA ALA 39 HA ALA 39 -2.947 6.032 6.974 256 HB1 ALA 39 3HB ALA 39 -3.691 5.153 4.227 257 HB2 ALA 39 1HB ALA 39 -2.112 4.704 4.871 258 HB3 ALA 39 2HB ALA 39 -3.580 4.220 5.720 259 H GLY 40 H GLY 40 -2.714 7.370 3.667 260 HA2 GLY 40 1HA GLY 40 -0.986 9.433 4.117 261 HA3 GLY 40 2HA GLY 40 0.063 8.028 4.019 262 H SER 41 H SER 41 0.510 9.929 2.215 263 HA SER 41 HA SER 41 -0.976 9.324 -0.216 264 HB2 SER 41 1HB SER 41 0.331 11.150 -1.219 265 HB3 SER 41 2HB SER 41 -0.439 11.673 0.279 266 HG SER 41 HG SER 41 2.123 11.763 -0.333 267 H ASN 42 H ASN 42 0.556 7.199 0.869 268 HA ASN 42 HA ASN 42 2.924 6.999 -0.821 269 HB2 ASN 42 1HB ASN 42 1.865 5.512 1.533 270 HB3 ASN 42 2HB ASN 42 2.895 4.630 0.409 271 HD21 ASN 42 1HD2 ASN 42 4.115 4.588 2.540 272 HD22 ASN 42 2HD2 ASN 42 5.277 5.845 2.776 273 H MET 43 H MET 43 3.177 4.539 -1.629 274 HA MET 43 HA MET 43 0.879 4.119 -3.401 275 HB2 MET 43 1HB MET 43 2.343 3.103 -4.935 276 HB3 MET 43 2HB MET 43 3.250 4.467 -4.294 277 HG2 MET 43 1HG MET 43 4.814 2.786 -4.266 278 HG3 MET 43 2HG MET 43 4.193 2.740 -2.618 279 HE1 MET 43 3HE MET 43 3.465 -0.365 -5.925 280 HE2 MET 43 1HE MET 43 3.024 1.329 -6.142 281 HE3 MET 43 2HE MET 43 4.715 0.880 -5.924 282 H LEU 44 H LEU 44 -0.041 2.074 -3.692 283 HA LEU 44 HA LEU 44 0.418 0.229 -1.451 284 HB2 LEU 44 1HB LEU 44 -1.859 1.285 -1.850 285 HB3 LEU 44 2HB LEU 44 -1.965 0.264 -3.283 286 HG LEU 44 HG LEU 44 -1.588 -1.696 -1.654 287 HD11 LEU 44 1HD1 LEU 44 -2.539 -1.173 0.623 288 HD12 LEU 44 2HD1 LEU 44 -2.287 0.530 0.243 289 HD13 LEU 44 3HD1 LEU 44 -0.911 -0.571 0.310 290 HD21 LEU 44 3HD2 LEU 44 -3.696 -1.195 -2.830 291 HD22 LEU 44 1HD2 LEU 44 -4.160 -0.127 -1.506 292 HD23 LEU 44 2HD2 LEU 44 -3.962 -1.856 -1.216 293 H LEU 45 H LEU 45 1.158 -1.772 -1.801 294 HA LEU 45 HA LEU 45 0.954 -2.953 -4.463 295 HB2 LEU 45 1HB LEU 45 3.252 -3.419 -4.675 296 HB3 LEU 45 2HB LEU 45 3.132 -1.711 -4.258 297 HG LEU 45 HG LEU 45 4.941 -2.487 -3.008 298 HD11 LEU 45 1HD1 LEU 45 4.322 -2.090 -0.807 299 HD12 LEU 45 2HD1 LEU 45 2.759 -2.884 -0.997 300 HD13 LEU 45 3HD1 LEU 45 3.041 -1.306 -1.732 301 HD21 LEU 45 3HD2 LEU 45 3.849 -4.980 -3.347 302 HD22 LEU 45 1HD2 LEU 45 3.689 -4.721 -1.610 303 HD23 LEU 45 2HD2 LEU 45 5.274 -4.605 -2.376 304 H ILE 46 H ILE 46 1.861 -5.272 -4.393 305 HA ILE 46 HA ILE 46 1.383 -6.503 -1.769 306 HB ILE 46 HB ILE 46 0.303 -7.752 -4.280 307 HG12 ILE 46 1HG1 ILE 46 -0.679 -5.446 -3.874 308 HG13 ILE 46 2HG1 ILE 46 -1.834 -6.773 -3.914 309 HG21 ILE 46 1HG2 ILE 46 0.118 -9.419 -2.791 310 HG22 ILE 46 2HG2 ILE 46 0.291 -8.337 -1.410 311 HG23 ILE 46 3HG2 ILE 46 -1.276 -8.515 -2.200 312 HD11 ILE 46 3HD1 ILE 46 -2.451 -6.454 -1.793 313 HD12 ILE 46 1HD1 ILE 46 -0.800 -6.157 -1.250 314 HD13 ILE 46 2HD1 ILE 46 -1.729 -4.859 -2.001 315 H GLY 47 H GLY 47 2.336 -8.586 -1.484 316 HA2 GLY 47 1HA GLY 47 4.296 -9.363 -3.538 317 HA3 GLY 47 2HA GLY 47 4.835 -9.093 -1.887 318 H VAL 48 H VAL 48 2.122 -10.819 -3.435 319 HA VAL 48 HA VAL 48 1.673 -12.755 -1.575 320 HB VAL 48 HB VAL 48 1.049 -14.276 -3.505 321 HG11 VAL 48 1HG1 VAL 48 -0.810 -12.754 -4.262 322 HG12 VAL 48 2HG1 VAL 48 -0.644 -12.939 -2.515 323 HG13 VAL 48 3HG1 VAL 48 -0.049 -11.480 -3.309 324 HG21 VAL 48 3HG2 VAL 48 1.851 -13.854 -5.532 325 HG22 VAL 48 1HG2 VAL 48 1.019 -12.299 -5.537 326 HG23 VAL 48 2HG2 VAL 48 2.667 -12.415 -4.920 327 H HIS 49 H HIS 49 3.165 -13.899 -0.518 328 HA HIS 49 HA HIS 49 5.601 -14.777 -1.776 329 HB2 HIS 49 1HB HIS 49 5.132 -14.092 0.730 330 HB3 HIS 49 2HB HIS 49 4.720 -15.797 0.893 331 HD1 HIS 49 1HD HIS 49 7.541 -13.523 0.932 332 HD2 HIS 49 2HD HIS 49 6.949 -17.551 0.100 333 HE1 HIS 49 1HE HIS 49 9.820 -14.579 1.065 334 H GLY 50 H GLY 50 6.240 -16.898 -2.189 335 HA2 GLY 50 1HA GLY 50 4.010 -18.832 -2.339 336 HA3 GLY 50 2HA GLY 50 5.305 -18.740 -3.524 337 HA PRO 51 HA PRO 51 7.359 -20.562 0.448 338 HB2 PRO 51 1HB PRO 51 5.727 -21.092 2.552 339 HB3 PRO 51 2HB PRO 51 6.543 -19.539 2.337 340 HG2 PRO 51 1HG PRO 51 3.722 -20.302 1.691 341 HG3 PRO 51 2HG PRO 51 4.334 -18.823 2.454 342 HD2 PRO 51 1HD PRO 51 3.647 -18.935 -0.162 343 HD3 PRO 51 2HD PRO 51 4.948 -17.887 0.440 344 H THR 52 H THR 52 4.073 -21.541 -0.339 345 HA THR 52 HA THR 52 4.947 -24.356 -0.260 346 HB THR 52 HB THR 52 3.245 -23.992 1.426 347 HG1 THR 52 1HG THR 52 1.533 -25.378 0.336 348 HG21 THR 52 3HG2 THR 52 1.315 -23.159 -0.722 349 HG22 THR 52 1HG2 THR 52 2.265 -21.977 0.177 350 HG23 THR 52 2HG2 THR 52 1.138 -23.034 1.028 351 H THR 53 H THR 53 2.585 -22.189 -1.823 352 HA THR 53 HA THR 53 3.264 -23.337 -4.409 353 HB THR 53 HB THR 53 0.813 -23.613 -4.971 354 HG1 THR 53 1HG THR 53 -0.650 -23.527 -3.383 355 HG21 THR 53 3HG2 THR 53 0.717 -25.846 -4.178 356 HG22 THR 53 1HG2 THR 53 1.731 -25.472 -2.785 357 HG23 THR 53 2HG2 THR 53 2.428 -25.483 -4.405 358 HA PRO 54 HA PRO 54 2.752 -19.119 -5.592 359 HB2 PRO 54 1HB PRO 54 2.637 -19.472 -8.282 360 HB3 PRO 54 2HB PRO 54 4.138 -19.611 -7.358 361 HG2 PRO 54 1HG PRO 54 2.320 -21.771 -8.353 362 HG3 PRO 54 2HG PRO 54 4.092 -21.702 -8.373 363 HD2 PRO 54 1HD PRO 54 2.709 -23.111 -6.519 364 HD3 PRO 54 2HD PRO 54 4.266 -22.337 -6.164 365 H CYS 55 H CYS 55 1.285 -17.740 -6.919 366 HA CYS 55 HA CYS 55 -1.452 -18.795 -6.784 367 HB2 CYS 55 1HB CYS 55 -0.571 -16.616 -5.565 368 HB3 CYS 55 2HB CYS 55 -0.879 -15.885 -7.135 369 HG CYS 55 HG CYS 55 -3.596 -16.626 -7.164 370 H GLU 56 H GLU 56 -2.955 -18.288 -8.465 371 HA GLU 56 HA GLU 56 -1.949 -18.701 -11.056 372 HB2 GLU 56 1HB GLU 56 -4.651 -17.814 -10.055 373 HB3 GLU 56 2HB GLU 56 -4.317 -18.077 -11.760 374 HG2 GLU 56 1HG GLU 56 -3.974 -20.161 -9.618 375 HG3 GLU 56 2HG GLU 56 -5.400 -19.997 -10.641 376 H GLU 57 H GLU 57 -3.182 -15.779 -9.465 377 HA GLU 57 HA GLU 57 -1.472 -14.060 -10.913 378 HB2 GLU 57 1HB GLU 57 -3.077 -12.890 -12.307 379 HB3 GLU 57 2HB GLU 57 -3.036 -14.592 -12.746 380 HG2 GLU 57 1HG GLU 57 -5.065 -14.936 -11.352 381 HG3 GLU 57 2HG GLU 57 -5.136 -13.191 -11.112 382 H VAL 58 H VAL 58 -2.337 -11.672 -10.671 383 HA VAL 58 HA VAL 58 -3.851 -11.345 -8.192 384 HB VAL 58 HB VAL 58 -1.097 -10.169 -8.597 385 HG11 VAL 58 1HG1 VAL 58 -1.949 -9.797 -5.961 386 HG12 VAL 58 2HG1 VAL 58 -1.754 -8.563 -7.207 387 HG13 VAL 58 3HG1 VAL 58 -3.321 -9.338 -6.969 388 HG21 VAL 58 3HG2 VAL 58 -0.966 -11.519 -6.270 389 HG22 VAL 58 1HG2 VAL 58 -2.110 -12.531 -7.152 390 HG23 VAL 58 2HG2 VAL 58 -0.512 -12.211 -7.827 391 H SER 59 H SER 59 -5.483 -10.143 -8.961 392 HA SER 59 HA SER 59 -4.972 -8.022 -10.886 393 HB2 SER 59 1HB SER 59 -6.909 -9.310 -11.385 394 HB3 SER 59 2HB SER 59 -7.499 -9.199 -9.727 395 HG SER 59 HG SER 59 -8.482 -7.756 -11.364 396 H MET 60 H MET 60 -4.250 -6.158 -10.092 397 HA MET 60 HA MET 60 -5.461 -5.140 -7.606 398 HB2 MET 60 1HB MET 60 -2.768 -4.325 -8.687 399 HB3 MET 60 2HB MET 60 -3.424 -4.030 -7.082 400 HG2 MET 60 1HG MET 60 -3.118 -6.245 -6.420 401 HG3 MET 60 2HG MET 60 -2.940 -6.810 -8.079 402 HE1 MET 60 3HE MET 60 -1.131 -3.494 -6.961 403 HE2 MET 60 1HE MET 60 -1.405 -4.366 -5.453 404 HE3 MET 60 2HE MET 60 0.237 -4.148 -6.058 405 H LYS 61 H LYS 61 -6.707 -3.411 -7.829 406 HA LYS 61 HA LYS 61 -6.073 -1.416 -9.868 407 HB2 LYS 61 1HB LYS 61 -8.529 -3.095 -9.774 408 HB3 LYS 61 2HB LYS 61 -8.723 -1.398 -10.194 409 HG2 LYS 61 1HG LYS 61 -6.629 -2.954 -11.610 410 HG3 LYS 61 2HG LYS 61 -8.318 -3.252 -12.025 411 HD2 LYS 61 1HD LYS 61 -8.462 -0.660 -12.181 412 HD3 LYS 61 2HD LYS 61 -6.704 -0.748 -12.320 413 HE2 LYS 61 1HE LYS 61 -7.271 -2.567 -14.134 414 HE3 LYS 61 2HE LYS 61 -8.815 -1.718 -14.188 415 HZ1 LYS 61 3HZ LYS 61 -6.389 -0.989 -15.385 416 HZ2 LYS 61 1HZ LYS 61 -6.775 0.190 -14.235 417 HZ3 LYS 61 2HZ LYS 61 -7.878 -0.189 -15.460 418 H HIS 62 H HIS 62 -6.458 0.634 -9.224 419 HA HIS 62 HA HIS 62 -7.388 1.016 -6.495 420 HB2 HIS 62 1HB HIS 62 -5.344 2.154 -7.123 421 HB3 HIS 62 2HB HIS 62 -6.148 2.925 -8.487 422 HD1 HIS 62 1HD HIS 62 -6.366 5.324 -7.954 423 HD2 HIS 62 2HD HIS 62 -7.155 2.935 -4.648 424 HE1 HIS 62 1HE HIS 62 -7.042 6.911 -6.124 425 H VAL 63 H VAL 63 -9.618 0.617 -6.766 426 HA VAL 63 HA VAL 63 -11.320 1.730 -8.639 427 HB VAL 63 HB VAL 63 -13.069 1.609 -6.745 428 HG11 VAL 63 1HG1 VAL 63 -13.439 -0.589 -7.259 429 HG12 VAL 63 2HG1 VAL 63 -12.303 -0.165 -8.541 430 HG13 VAL 63 3HG1 VAL 63 -11.737 -1.026 -7.109 431 HG21 VAL 63 3HG2 VAL 63 -11.155 1.714 -5.011 432 HG22 VAL 63 1HG2 VAL 63 -12.504 0.615 -4.722 433 HG23 VAL 63 2HG2 VAL 63 -10.974 -0.009 -5.340 434 H GLY 64 H GLY 64 -9.607 3.295 -6.134 435 HA2 GLY 64 1HA GLY 64 -9.393 5.666 -6.076 436 HA3 GLY 64 2HA GLY 64 -11.002 5.798 -6.770 437 H ASN 65 H ASN 65 -11.176 7.414 -4.987 438 HA ASN 65 HA ASN 65 -11.907 8.079 -2.932 439 HB2 ASN 65 1HB ASN 65 -13.392 5.570 -3.536 440 HB3 ASN 65 2HB ASN 65 -13.522 6.216 -1.903 441 HD21 ASN 65 1HD2 ASN 65 -14.359 8.339 -1.627 442 HD22 ASN 65 2HD2 ASN 65 -15.415 9.025 -2.810 443 H GLN 66 H GLN 66 -9.399 6.508 -3.073 444 HA GLN 66 HA GLN 66 -7.806 5.850 -1.579 445 HB2 GLN 66 1HB GLN 66 -9.845 6.121 0.621 446 HB3 GLN 66 2HB GLN 66 -8.094 6.224 0.746 447 HG2 GLN 66 1HG GLN 66 -9.892 8.213 -0.622 448 HG3 GLN 66 2HG GLN 66 -9.122 8.412 0.951 449 HE21 GLN 66 1HE2 GLN 66 -7.142 9.253 1.036 450 HE22 GLN 66 2HE2 GLN 66 -6.137 9.577 -0.332 451 H GLN 67 H GLN 67 -9.703 4.032 -2.873 452 HA GLN 67 HA GLN 67 -9.485 1.771 -0.997 453 HB2 GLN 67 1HB GLN 67 -11.628 2.183 -3.088 454 HB3 GLN 67 2HB GLN 67 -11.496 0.808 -2.000 455 HG2 GLN 67 1HG GLN 67 -12.019 2.126 -0.114 456 HG3 GLN 67 2HG GLN 67 -11.820 3.626 -1.019 457 HE21 GLN 67 1HE2 GLN 67 -13.637 0.603 -1.443 458 HE22 GLN 67 2HE2 GLN 67 -15.152 1.363 -1.781 459 H TYR 68 H TYR 68 -8.385 0.048 -1.697 460 HA TYR 68 HA TYR 68 -7.690 -0.068 -4.559 461 HB2 TYR 68 1HB TYR 68 -6.035 -0.852 -2.154 462 HB3 TYR 68 2HB TYR 68 -5.586 -1.211 -3.818 463 HD1 TYR 68 1HD TYR 68 -6.034 1.470 -1.338 464 HD2 TYR 68 2HD TYR 68 -4.720 0.499 -5.267 465 HE1 TYR 68 1HE TYR 68 -4.950 3.670 -1.513 466 HE2 TYR 68 2HE TYR 68 -3.631 2.696 -5.452 467 HH TYR 68 HH TYR 68 -3.448 4.745 -4.519 468 H ASN 69 H ASN 69 -8.674 -1.694 -5.543 469 HA ASN 69 HA ASN 69 -9.603 -3.993 -4.032 470 HB2 ASN 69 1HB ASN 69 -10.836 -2.693 -5.962 471 HB3 ASN 69 2HB ASN 69 -9.898 -3.762 -7.002 472 HD21 ASN 69 1HD2 ASN 69 -9.941 -5.901 -4.977 473 HD22 ASN 69 2HD2 ASN 69 -11.524 -6.587 -5.066 474 H VAL 70 H VAL 70 -8.525 -5.839 -3.867 475 HA VAL 70 HA VAL 70 -6.616 -6.575 -5.976 476 HB VAL 70 HB VAL 70 -6.054 -6.779 -3.014 477 HG11 VAL 70 1HG1 VAL 70 -3.715 -7.195 -4.460 478 HG12 VAL 70 2HG1 VAL 70 -4.657 -8.411 -3.596 479 HG13 VAL 70 3HG1 VAL 70 -4.942 -8.130 -5.314 480 HG21 VAL 70 3HG2 VAL 70 -4.246 -5.233 -4.730 481 HG22 VAL 70 1HG2 VAL 70 -5.855 -4.538 -4.543 482 HG23 VAL 70 2HG2 VAL 70 -4.869 -4.873 -3.120 483 H THR 71 H THR 71 -7.227 -8.458 -6.790 484 HA THR 71 HA THR 71 -8.300 -10.504 -4.960 485 HB THR 71 HB THR 71 -9.169 -10.447 -7.821 486 HG1 THR 71 1HG THR 71 -9.908 -8.641 -5.815 487 HG21 THR 71 3HG2 THR 71 -11.122 -11.556 -6.947 488 HG22 THR 71 1HG2 THR 71 -10.608 -11.246 -5.290 489 HG23 THR 71 2HG2 THR 71 -9.687 -12.355 -6.306 490 H TYR 72 H TYR 72 -7.736 -12.645 -5.380 491 HA TYR 72 HA TYR 72 -5.844 -13.145 -7.558 492 HB2 TYR 72 1HB TYR 72 -4.328 -14.347 -6.013 493 HB3 TYR 72 2HB TYR 72 -4.441 -12.630 -5.642 494 HD1 TYR 72 1HD TYR 72 -5.779 -15.951 -4.626 495 HD2 TYR 72 2HD TYR 72 -4.999 -11.927 -3.485 496 HE1 TYR 72 1HE TYR 72 -6.378 -16.500 -2.305 497 HE2 TYR 72 2HE TYR 72 -5.594 -12.465 -1.160 498 HH TYR 72 HH TYR 72 -6.781 -14.060 0.114 499 H VAL 73 H VAL 73 -5.259 -15.609 -7.507 500 HA VAL 73 HA VAL 73 -7.549 -17.233 -6.684 501 HB VAL 73 HB VAL 73 -6.497 -17.143 -9.515 502 HG11 VAL 73 1HG1 VAL 73 -8.682 -18.759 -9.576 503 HG12 VAL 73 2HG1 VAL 73 -7.014 -19.329 -9.504 504 HG13 VAL 73 3HG1 VAL 73 -7.967 -19.198 -8.025 505 HG21 VAL 73 3HG2 VAL 73 -8.975 -16.162 -8.181 506 HG22 VAL 73 1HG2 VAL 73 -7.995 -15.406 -9.438 507 HG23 VAL 73 2HG2 VAL 73 -9.073 -16.743 -9.843 508 H VAL 74 H VAL 74 -6.953 -19.155 -5.895 509 HA VAL 74 HA VAL 74 -4.160 -19.997 -6.302 510 HB VAL 74 HB VAL 74 -4.468 -21.321 -4.200 511 HG11 VAL 74 1HG1 VAL 74 -4.571 -19.203 -2.715 512 HG12 VAL 74 2HG1 VAL 74 -3.263 -19.362 -3.890 513 HG13 VAL 74 3HG1 VAL 74 -4.651 -18.333 -4.247 514 HG21 VAL 74 3HG2 VAL 74 -7.171 -20.592 -4.584 515 HG22 VAL 74 1HG2 VAL 74 -6.476 -21.560 -3.283 516 HG23 VAL 74 2HG2 VAL 74 -6.627 -19.812 -3.098 517 H LYS 75 H LYS 75 -3.777 -22.356 -6.251 518 HA LYS 75 HA LYS 75 -5.998 -23.826 -7.514 519 HB2 LYS 75 1HB LYS 75 -3.075 -23.727 -8.170 520 HB3 LYS 75 2HB LYS 75 -4.005 -25.170 -8.548 521 HG2 LYS 75 1HG LYS 75 -4.589 -22.384 -9.532 522 HG3 LYS 75 2HG LYS 75 -3.856 -23.689 -10.468 523 HD2 LYS 75 1HD LYS 75 -5.997 -25.008 -9.851 524 HD3 LYS 75 2HD LYS 75 -6.672 -23.421 -9.476 525 HE2 LYS 75 1HE LYS 75 -5.344 -24.021 -12.105 526 HE3 LYS 75 2HE LYS 75 -7.058 -24.329 -11.827 527 HZ1 LYS 75 3HZ LYS 75 -5.747 -21.687 -11.483 528 HZ2 LYS 75 1HZ LYS 75 -7.403 -22.015 -11.363 529 HZ3 LYS 75 2HZ LYS 75 -6.619 -22.155 -12.855 530 H GLU 76 H GLU 76 -3.486 -23.820 -5.131 531 HA GLU 76 HA GLU 76 -4.191 -26.576 -4.368 532 HB2 GLU 76 1HB GLU 76 -1.737 -25.820 -4.941 533 HB3 GLU 76 2HB GLU 76 -1.768 -25.182 -3.303 534 HG2 GLU 76 1HG GLU 76 -0.834 -27.307 -3.099 535 HG3 GLU 76 2HG GLU 76 -2.507 -27.504 -2.580 536 H ARG 77 H ARG 77 -4.286 -27.042 -2.062 537 HA ARG 77 HA ARG 77 -5.310 -24.735 -0.546 538 HB2 ARG 77 1HB ARG 77 -6.607 -26.386 0.760 539 HB3 ARG 77 2HB ARG 77 -7.017 -26.406 -0.950 540 HG2 ARG 77 1HG ARG 77 -4.949 -28.305 0.016 541 HG3 ARG 77 2HG ARG 77 -6.638 -28.627 0.412 542 HD2 ARG 77 1HD ARG 77 -7.228 -28.969 -1.775 543 HD3 ARG 77 2HD ARG 77 -5.952 -27.923 -2.395 544 HE ARG 77 HE ARG 77 -4.711 -30.116 -1.236 545 HH11 ARG 77 1HH1 ARG 77 -6.889 -29.470 -3.873 546 HH12 ARG 77 2HH1 ARG 77 -6.342 -30.809 -4.826 547 HH21 ARG 77 1HH2 ARG 77 -3.982 -31.883 -2.480 548 HH22 ARG 77 2HH2 ARG 77 -4.689 -32.182 -4.032 549 H GLY 78 H GLY 78 -5.010 -24.845 1.828 550 HA2 GLY 78 1HA GLY 78 -3.636 -26.224 3.519 551 HA3 GLY 78 2HA GLY 78 -2.310 -25.853 2.426 552 H ASP 79 H ASP 79 -1.085 -24.604 3.756 553 HA ASP 79 HA ASP 79 -2.348 -22.289 5.037 554 HB2 ASP 79 1HB ASP 79 0.472 -23.319 5.399 555 HB3 ASP 79 2HB ASP 79 -0.355 -22.122 6.392 556 H TYR 80 H TYR 80 -2.182 -20.340 4.162 557 HA TYR 80 HA TYR 80 -0.061 -19.876 2.170 558 HB2 TYR 80 1HB TYR 80 -2.923 -19.022 2.293 559 HB3 TYR 80 2HB TYR 80 -1.762 -17.979 1.479 560 HD1 TYR 80 1HD TYR 80 -3.124 -21.436 1.506 561 HD2 TYR 80 2HD TYR 80 -1.076 -18.441 -0.717 562 HE1 TYR 80 1HE TYR 80 -3.315 -22.817 -0.520 563 HE2 TYR 80 2HE TYR 80 -1.263 -19.814 -2.750 564 HH TYR 80 HH TYR 80 -3.247 -22.631 -2.889 565 H VAL 81 H VAL 81 0.634 -17.586 1.969 566 HA VAL 81 HA VAL 81 0.471 -16.123 4.515 567 HB VAL 81 HB VAL 81 2.989 -16.688 2.947 568 HG11 VAL 81 1HG1 VAL 81 3.924 -15.390 5.058 569 HG12 VAL 81 2HG1 VAL 81 3.433 -14.543 3.589 570 HG13 VAL 81 3HG1 VAL 81 2.342 -14.615 4.974 571 HG21 VAL 81 3HG2 VAL 81 2.625 -18.529 4.322 572 HG22 VAL 81 1HG2 VAL 81 3.677 -17.503 5.298 573 HG23 VAL 81 2HG2 VAL 81 1.944 -17.549 5.621 574 H LEU 82 H LEU 82 -0.597 -14.324 3.983 575 HA LEU 82 HA LEU 82 -0.180 -13.066 1.394 576 HB2 LEU 82 1HB LEU 82 -2.448 -13.229 2.105 577 HB3 LEU 82 2HB LEU 82 -2.069 -12.512 3.670 578 HG LEU 82 HG LEU 82 -1.567 -10.372 2.491 579 HD11 LEU 82 1HD1 LEU 82 -1.978 -12.080 0.183 580 HD12 LEU 82 2HD1 LEU 82 -1.223 -10.490 0.296 581 HD13 LEU 82 3HD1 LEU 82 -2.973 -10.625 0.129 582 HD21 LEU 82 3HD2 LEU 82 -4.315 -11.578 2.237 583 HD22 LEU 82 1HD2 LEU 82 -3.968 -9.870 1.969 584 HD23 LEU 82 2HD2 LEU 82 -3.685 -10.589 3.555 585 H ALA 83 H ALA 83 1.247 -11.500 1.085 586 HA ALA 83 HA ALA 83 2.183 -9.967 3.422 587 HB1 ALA 83 3HB ALA 83 3.813 -10.068 0.944 588 HB2 ALA 83 1HB ALA 83 4.318 -9.996 2.632 589 HB3 ALA 83 2HB ALA 83 3.747 -11.518 1.947 590 H VAL 84 H VAL 84 1.166 -8.063 3.452 591 HA VAL 84 HA VAL 84 0.898 -6.588 0.913 592 HB VAL 84 HB VAL 84 -0.792 -6.177 3.379 593 HG11 VAL 84 1HG1 VAL 84 -1.921 -5.417 0.826 594 HG12 VAL 84 2HG1 VAL 84 -1.713 -4.462 2.296 595 HG13 VAL 84 3HG1 VAL 84 -0.393 -4.593 1.133 596 HG21 VAL 84 3HG2 VAL 84 -1.312 -8.370 2.655 597 HG22 VAL 84 1HG2 VAL 84 -2.578 -7.327 2.007 598 HG23 VAL 84 2HG2 VAL 84 -1.280 -7.896 0.957 599 H LYS 85 H LYS 85 2.176 -4.882 0.734 600 HA LYS 85 HA LYS 85 3.191 -3.609 3.185 601 HB2 LYS 85 1HB LYS 85 4.341 -3.907 0.424 602 HB3 LYS 85 2HB LYS 85 4.925 -2.657 1.514 603 HG2 LYS 85 1HG LYS 85 5.485 -4.393 3.167 604 HG3 LYS 85 2HG LYS 85 4.961 -5.626 2.018 605 HD2 LYS 85 1HD LYS 85 7.233 -5.588 1.638 606 HD3 LYS 85 2HD LYS 85 6.661 -4.444 0.421 607 HE2 LYS 85 1HE LYS 85 7.328 -2.587 1.715 608 HE3 LYS 85 2HE LYS 85 7.546 -3.573 3.159 609 HZ1 LYS 85 3HZ LYS 85 9.180 -4.508 1.034 610 HZ2 LYS 85 1HZ LYS 85 9.629 -3.998 2.583 611 HZ3 LYS 85 2HZ LYS 85 9.478 -2.870 1.332 612 H TRP 86 H TRP 86 3.418 -1.295 3.210 613 HA TRP 86 HA TRP 86 1.687 0.118 1.299 614 HB2 TRP 86 1HB TRP 86 0.288 -0.073 3.195 615 HB3 TRP 86 2HB TRP 86 1.615 0.248 4.308 616 HD1 TRP 86 HD TRP 86 1.565 2.599 5.295 617 HE1 TRP 86 1HE TRP 86 0.629 4.889 4.582 618 HE3 TRP 86 3HE TRP 86 -0.279 1.327 0.699 619 HZ2 TRP 86 2HZ TRP 86 -0.714 6.007 2.365 620 HZ3 TRP 86 3HZ TRP 86 -1.375 3.065 -0.654 621 HH2 TRP 86 HH TRP 86 -1.588 5.356 0.164 622 H GLY 87 H GLY 87 3.534 0.891 0.226 623 HA2 GLY 87 1HA GLY 87 5.257 2.350 -0.190 624 HA3 GLY 87 2HA GLY 87 4.490 3.377 1.013 625 H GLU 88 H GLU 88 6.625 0.545 0.738 626 HA GLU 88 HA GLU 88 8.455 -0.095 1.928 627 HB2 GLU 88 1HB GLU 88 8.468 2.859 2.533 628 HB3 GLU 88 2HB GLU 88 9.716 1.769 3.121 629 HG2 GLU 88 1HG GLU 88 9.898 1.101 0.600 630 HG3 GLU 88 2HG GLU 88 9.142 2.673 0.345 631 H GLU 89 H GLU 89 6.027 -0.629 3.107 632 HA GLU 89 HA GLU 89 6.803 -0.854 5.868 633 HB2 GLU 89 1HB GLU 89 4.439 0.838 5.067 634 HB3 GLU 89 2HB GLU 89 4.602 0.136 6.671 635 HG2 GLU 89 1HG GLU 89 6.955 1.320 6.570 636 HG3 GLU 89 2HG GLU 89 6.124 2.343 5.400 637 H HIS 90 H HIS 90 4.903 -1.945 7.129 638 HA HIS 90 HA HIS 90 3.553 -3.859 5.345 639 HB2 HIS 90 1HB HIS 90 5.237 -4.375 7.767 640 HB3 HIS 90 2HB HIS 90 3.909 -5.469 7.390 641 HD1 HIS 90 1HD HIS 90 4.691 -7.429 6.125 642 HD2 HIS 90 2HD HIS 90 6.888 -4.029 5.191 643 HE1 HIS 90 1HE HIS 90 6.388 -8.171 4.425 644 H ILE 91 H ILE 91 1.433 -3.614 5.528 645 HA ILE 91 HA ILE 91 0.058 -2.121 7.368 646 HB ILE 91 HB ILE 91 -1.966 -3.312 6.724 647 HG12 ILE 91 1HG1 ILE 91 -0.239 -5.236 5.171 648 HG13 ILE 91 2HG1 ILE 91 -0.806 -5.592 6.799 649 HG21 ILE 91 1HG2 ILE 91 -1.203 -1.691 5.159 650 HG22 ILE 91 2HG2 ILE 91 -0.009 -2.804 4.493 651 HG23 ILE 91 3HG2 ILE 91 -1.729 -3.098 4.234 652 HD11 ILE 91 3HD1 ILE 91 -3.081 -5.537 6.088 653 HD12 ILE 91 1HD1 ILE 91 -2.620 -4.946 4.492 654 HD13 ILE 91 2HD1 ILE 91 -2.182 -6.581 4.988 655 HA PRO 92 HA PRO 92 -0.036 -4.326 11.167 656 HB2 PRO 92 1HB PRO 92 -2.437 -3.522 12.147 657 HB3 PRO 92 2HB PRO 92 -1.025 -2.461 12.074 658 HG2 PRO 92 1HG PRO 92 -3.362 -2.634 10.211 659 HG3 PRO 92 2HG PRO 92 -2.546 -1.196 10.852 660 HD2 PRO 92 1HD PRO 92 -2.079 -2.148 8.360 661 HD3 PRO 92 2HD PRO 92 -0.827 -1.336 9.322 662 H GLY 93 H GLY 93 -0.152 -6.497 10.614 663 HA2 GLY 93 1HA GLY 93 -1.964 -8.192 11.433 664 HA3 GLY 93 2HA GLY 93 -2.793 -7.616 9.995 665 H SER 94 H SER 94 0.128 -7.351 8.892 666 HA SER 94 HA SER 94 0.170 -10.082 7.830 667 HB2 SER 94 1HB SER 94 0.218 -8.749 5.966 668 HB3 SER 94 2HB SER 94 1.019 -7.421 6.806 669 HG SER 94 HG SER 94 2.902 -8.216 6.273 670 HA PRO 95 HA PRO 95 1.773 -11.073 6.401 671 HB2 PRO 95 1HB PRO 95 2.604 -13.609 6.900 672 HB3 PRO 95 2HB PRO 95 3.662 -12.368 6.218 673 HG2 PRO 95 1HG PRO 95 3.440 -13.323 9.047 674 HG3 PRO 95 2HG PRO 95 4.894 -12.963 8.099 675 HD2 PRO 95 1HD PRO 95 3.875 -11.234 9.915 676 HD3 PRO 95 2HD PRO 95 4.712 -10.692 8.447 677 H PHE 96 H PHE 96 -0.281 -11.691 6.202 678 HA PHE 96 HA PHE 96 -1.799 -12.524 8.487 679 HB2 PHE 96 1HB PHE 96 -2.437 -12.006 5.600 680 HB3 PHE 96 2HB PHE 96 -3.620 -12.790 6.641 681 HD1 PHE 96 1HD PHE 96 -4.693 -11.582 8.439 682 HD2 PHE 96 2HD PHE 96 -1.832 -9.689 5.919 683 HE1 PHE 96 1HE PHE 96 -5.425 -9.383 9.265 684 HE2 PHE 96 2HE PHE 96 -2.558 -7.488 6.742 685 HZ PHE 96 HZ PHE 96 -4.357 -7.332 8.418 686 H HIS 97 H HIS 97 -2.952 -14.482 8.731 687 HA HIS 97 HA HIS 97 -1.633 -16.760 7.433 688 HB2 HIS 97 1HB HIS 97 -1.473 -16.851 9.824 689 HB3 HIS 97 2HB HIS 97 -3.196 -16.537 10.008 690 HD1 HIS 97 1HD HIS 97 -3.394 -18.746 11.393 691 HD2 HIS 97 2HD HIS 97 -2.219 -19.268 7.443 692 HE1 HIS 97 1HE HIS 97 -3.676 -21.201 10.927 693 H VAL 98 H VAL 98 -2.734 -17.133 5.575 694 HA VAL 98 HA VAL 98 -5.660 -17.294 5.681 695 HB VAL 98 HB VAL 98 -3.825 -17.323 3.281 696 HG11 VAL 98 1HG1 VAL 98 -6.150 -18.480 3.208 697 HG12 VAL 98 2HG1 VAL 98 -6.772 -16.829 3.183 698 HG13 VAL 98 3HG1 VAL 98 -5.685 -17.382 1.909 699 HG21 VAL 98 3HG2 VAL 98 -5.498 -15.132 4.499 700 HG22 VAL 98 1HG2 VAL 98 -3.746 -15.164 4.302 701 HG23 VAL 98 2HG2 VAL 98 -4.791 -15.049 2.886 702 H THR 99 H THR 99 -6.600 -19.205 5.887 703 HA THR 99 HA THR 99 -5.080 -21.615 5.144 704 HB THR 99 HB THR 99 -7.393 -21.388 7.080 705 HG1 THR 99 1HG THR 99 -5.916 -21.002 8.540 706 HG21 THR 99 3HG2 THR 99 -7.428 -23.625 7.214 707 HG22 THR 99 1HG2 THR 99 -5.668 -23.734 7.234 708 HG23 THR 99 2HG2 THR 99 -6.527 -23.611 5.698 709 H VAL 100 H VAL 100 -5.761 -22.754 3.458 710 HA VAL 100 HA VAL 100 -8.498 -22.300 2.471 711 HB VAL 100 HB VAL 100 -6.015 -23.166 0.989 712 HG11 VAL 100 1HG1 VAL 100 -7.699 -22.853 -1.001 713 HG12 VAL 100 2HG1 VAL 100 -7.596 -24.389 -0.138 714 HG13 VAL 100 3HG1 VAL 100 -8.895 -23.254 0.231 715 HG21 VAL 100 3HG2 VAL 100 -5.924 -20.846 1.241 716 HG22 VAL 100 1HG2 VAL 100 -6.658 -21.068 -0.347 717 HG23 VAL 100 2HG2 VAL 100 -7.667 -20.662 1.042 718 HA PRO 101 HA PRO 101 -9.310 -26.495 3.693 719 HB2 PRO 101 1HB PRO 101 -11.805 -26.634 2.632 720 HB3 PRO 101 2HB PRO 101 -11.448 -25.782 4.138 721 HG2 PRO 101 1HG PRO 101 -11.797 -24.682 1.376 722 HG3 PRO 101 2HG PRO 101 -12.416 -24.057 2.916 723 HD2 PRO 101 1HD PRO 101 -10.223 -23.030 1.704 724 HD3 PRO 101 2HD PRO 101 -10.407 -23.072 3.469 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.749 27.567 -5.961 2 HA2 GLY 1 1HA GLY 1 4.109 26.731 -8.235 3 HA3 GLY 1 2HA GLY 1 5.005 25.734 -7.100 4 H SER 2 H SER 2 4.527 23.612 -6.929 5 HA SER 2 HA SER 2 2.188 22.645 -8.439 6 HB2 SER 2 1HB SER 2 4.317 22.116 -9.578 7 HB3 SER 2 2HB SER 2 4.870 21.271 -8.132 8 HG SER 2 HG SER 2 2.638 20.151 -8.566 9 H SER 3 H SER 3 0.796 22.392 -6.738 10 HA SER 3 HA SER 3 1.535 21.230 -4.250 11 HB2 SER 3 1HB SER 3 -0.786 21.343 -3.685 12 HB3 SER 3 2HB SER 3 -0.432 22.775 -4.653 13 HG SER 3 HG SER 3 -1.140 21.207 -6.457 14 H GLY 4 H GLY 4 0.992 19.184 -3.405 15 HA2 GLY 4 1HA GLY 4 -0.116 17.151 -5.134 16 HA3 GLY 4 2HA GLY 4 1.604 16.966 -4.827 17 H SER 5 H SER 5 -0.211 15.018 -4.086 18 HA SER 5 HA SER 5 -1.425 14.943 -1.703 19 HB2 SER 5 1HB SER 5 0.502 12.907 -2.829 20 HB3 SER 5 2HB SER 5 -0.489 12.600 -1.403 21 HG SER 5 HG SER 5 -1.675 13.511 -3.786 22 H SER 6 H SER 6 -0.979 15.354 0.360 23 HA SER 6 HA SER 6 1.784 15.164 1.310 24 HB2 SER 6 1HB SER 6 1.149 17.562 0.593 25 HB3 SER 6 2HB SER 6 0.113 17.568 2.021 26 HG SER 6 HG SER 6 2.895 17.555 1.831 27 H GLY 7 H GLY 7 1.898 14.147 3.204 28 HA2 GLY 7 1HA GLY 7 0.611 14.447 5.518 29 HA3 GLY 7 2HA GLY 7 -0.577 13.526 4.607 30 H SER 8 H SER 8 1.737 13.212 6.850 31 HA SER 8 HA SER 8 3.458 11.211 6.220 32 HB2 SER 8 1HB SER 8 3.039 12.357 8.495 33 HB3 SER 8 2HB SER 8 1.878 11.061 8.780 34 HG SER 8 HG SER 8 3.469 9.635 8.906 35 H SER 9 H SER 9 3.182 9.355 5.193 36 HA SER 9 HA SER 9 0.601 8.027 5.212 37 HB2 SER 9 1HB SER 9 1.761 6.468 3.574 38 HB3 SER 9 2HB SER 9 1.628 8.151 3.064 39 HG SER 9 HG SER 9 3.917 7.366 4.463 40 H ASP 10 H ASP 10 0.226 6.896 7.025 41 HA ASP 10 HA ASP 10 2.355 5.148 8.054 42 HB2 ASP 10 1HB ASP 10 1.012 6.922 9.486 43 HB3 ASP 10 2HB ASP 10 -0.179 5.627 9.562 44 H ALA 11 H ALA 11 2.146 2.987 8.023 45 HA ALA 11 HA ALA 11 -0.009 1.830 6.517 46 HB1 ALA 11 3HB ALA 11 1.205 -0.202 6.616 47 HB2 ALA 11 1HB ALA 11 2.395 1.085 6.423 48 HB3 ALA 11 2HB ALA 11 2.144 0.346 8.005 49 H SER 12 H SER 12 0.814 2.177 9.879 50 HA SER 12 HA SER 12 -0.706 0.124 10.999 51 HB2 SER 12 1HB SER 12 0.942 1.811 12.109 52 HB3 SER 12 2HB SER 12 -0.494 2.812 12.325 53 HG SER 12 HG SER 12 -0.378 1.582 14.131 54 H LYS 13 H LYS 13 -1.642 3.281 9.803 55 HA LYS 13 HA LYS 13 -4.316 3.136 10.860 56 HB2 LYS 13 1HB LYS 13 -3.200 4.981 8.741 57 HB3 LYS 13 2HB LYS 13 -4.706 5.196 9.623 58 HG2 LYS 13 1HG LYS 13 -1.984 5.155 10.907 59 HG3 LYS 13 2HG LYS 13 -2.844 6.621 10.429 60 HD2 LYS 13 1HD LYS 13 -3.954 4.563 12.332 61 HD3 LYS 13 2HD LYS 13 -3.081 6.009 12.846 62 HE2 LYS 13 1HE LYS 13 -4.791 7.324 11.497 63 HE3 LYS 13 2HE LYS 13 -5.720 5.828 11.415 64 HZ1 LYS 13 3HZ LYS 13 -5.045 7.442 13.795 65 HZ2 LYS 13 1HZ LYS 13 -5.502 5.819 13.938 66 HZ3 LYS 13 2HZ LYS 13 -6.568 6.941 13.255 67 H VAL 14 H VAL 14 -2.689 2.110 7.994 68 HA VAL 14 HA VAL 14 -4.774 2.040 6.147 69 HB VAL 14 HB VAL 14 -2.501 0.070 6.438 70 HG11 VAL 14 1HG1 VAL 14 -3.449 -1.045 4.768 71 HG12 VAL 14 2HG1 VAL 14 -4.736 0.156 4.637 72 HG13 VAL 14 3HG1 VAL 14 -3.228 0.378 3.750 73 HG21 VAL 14 3HG2 VAL 14 -2.651 2.455 4.609 74 HG22 VAL 14 1HG2 VAL 14 -1.912 2.518 6.209 75 HG23 VAL 14 2HG2 VAL 14 -1.251 1.447 4.974 76 H THR 15 H THR 15 -6.520 0.792 5.874 77 HA THR 15 HA THR 15 -6.854 -1.516 7.679 78 HB THR 15 HB THR 15 -9.299 -1.111 7.541 79 HG1 THR 15 1HG THR 15 -8.866 0.278 5.511 80 HG21 THR 15 3HG2 THR 15 -8.791 -0.145 9.498 81 HG22 THR 15 1HG2 THR 15 -8.918 1.388 8.638 82 HG23 THR 15 2HG2 THR 15 -7.344 0.619 8.841 83 H SER 16 H SER 16 -7.966 -3.346 6.876 84 HA SER 16 HA SER 16 -8.516 -3.453 4.014 85 HB2 SER 16 1HB SER 16 -7.147 -5.473 3.702 86 HB3 SER 16 2HB SER 16 -6.152 -4.106 4.204 87 HG SER 16 HG SER 16 -6.205 -4.948 6.328 88 H LYS 17 H LYS 17 -10.219 -4.710 3.542 89 HA LYS 17 HA LYS 17 -11.163 -6.597 5.595 90 HB2 LYS 17 1HB LYS 17 -13.435 -5.924 5.242 91 HB3 LYS 17 2HB LYS 17 -12.492 -4.474 5.562 92 HG2 LYS 17 1HG LYS 17 -12.913 -5.293 2.735 93 HG3 LYS 17 2HG LYS 17 -14.256 -4.563 3.618 94 HD2 LYS 17 1HD LYS 17 -11.587 -3.247 3.744 95 HD3 LYS 17 2HD LYS 17 -12.537 -3.087 2.265 96 HE2 LYS 17 1HE LYS 17 -13.709 -2.519 4.971 97 HE3 LYS 17 2HE LYS 17 -12.818 -1.292 4.072 98 HZ1 LYS 17 3HZ LYS 17 -14.820 -0.849 3.204 99 HZ2 LYS 17 1HZ LYS 17 -15.466 -2.359 3.611 100 HZ3 LYS 17 2HZ LYS 17 -14.525 -2.190 2.215 101 H GLY 18 H GLY 18 -12.477 -8.354 4.793 102 HA2 GLY 18 1HA GLY 18 -13.425 -9.282 2.623 103 HA3 GLY 18 2HA GLY 18 -11.806 -9.014 1.996 104 H ALA 19 H ALA 19 -13.634 -11.440 2.647 105 HA ALA 19 HA ALA 19 -12.562 -13.025 4.626 106 HB1 ALA 19 3HB ALA 19 -13.253 -14.286 2.015 107 HB2 ALA 19 1HB ALA 19 -13.654 -14.796 3.655 108 HB3 ALA 19 2HB ALA 19 -14.507 -13.438 2.920 109 H GLY 20 H GLY 20 -11.418 -12.643 1.284 110 HA2 GLY 20 1HA GLY 20 -9.482 -14.522 1.060 111 HA3 GLY 20 2HA GLY 20 -9.275 -12.887 0.449 112 H LEU 21 H LEU 21 -9.298 -11.629 3.053 113 HA LEU 21 HA LEU 21 -6.531 -11.883 3.667 114 HB2 LEU 21 1HB LEU 21 -8.684 -10.471 5.234 115 HB3 LEU 21 2HB LEU 21 -6.945 -10.218 5.376 116 HG LEU 21 HG LEU 21 -8.365 -9.689 2.789 117 HD11 LEU 21 1HD1 LEU 21 -8.223 -7.912 5.208 118 HD12 LEU 21 2HD1 LEU 21 -9.642 -8.376 4.270 119 HD13 LEU 21 3HD1 LEU 21 -8.444 -7.285 3.574 120 HD21 LEU 21 3HD2 LEU 21 -5.711 -9.244 3.945 121 HD22 LEU 21 1HD2 LEU 21 -6.392 -7.840 3.124 122 HD23 LEU 21 2HD2 LEU 21 -6.211 -9.366 2.257 123 H SER 22 H SER 22 -9.503 -13.020 5.168 124 HA SER 22 HA SER 22 -8.123 -14.081 7.475 125 HB2 SER 22 1HB SER 22 -10.482 -13.183 7.539 126 HB3 SER 22 2HB SER 22 -10.977 -14.608 6.625 127 HG SER 22 HG SER 22 -10.342 -14.359 9.278 128 H LYS 23 H LYS 23 -10.043 -15.516 4.832 129 HA LYS 23 HA LYS 23 -8.228 -17.804 4.805 130 HB2 LYS 23 1HB LYS 23 -10.046 -19.421 4.878 131 HB3 LYS 23 2HB LYS 23 -10.054 -18.433 6.333 132 HG2 LYS 23 1HG LYS 23 -11.901 -17.138 5.513 133 HG3 LYS 23 2HG LYS 23 -11.835 -17.960 3.953 134 HD2 LYS 23 1HD LYS 23 -12.635 -19.968 4.845 135 HD3 LYS 23 2HD LYS 23 -12.250 -19.491 6.500 136 HE2 LYS 23 1HE LYS 23 -13.978 -17.600 6.083 137 HE3 LYS 23 2HE LYS 23 -14.524 -18.625 4.757 138 HZ1 LYS 23 3HZ LYS 23 -14.817 -20.432 6.379 139 HZ2 LYS 23 1HZ LYS 23 -15.799 -19.097 6.716 140 HZ3 LYS 23 2HZ LYS 23 -14.402 -19.370 7.629 141 H ALA 24 H ALA 24 -8.763 -19.285 2.921 142 HA ALA 24 HA ALA 24 -10.044 -17.879 0.695 143 HB1 ALA 24 3HB ALA 24 -7.319 -17.815 0.978 144 HB2 ALA 24 1HB ALA 24 -7.560 -19.183 -0.109 145 HB3 ALA 24 2HB ALA 24 -8.199 -17.594 -0.534 146 H PHE 25 H PHE 25 -10.520 -19.270 -1.132 147 HA PHE 25 HA PHE 25 -10.630 -22.122 -0.404 148 HB2 PHE 25 1HB PHE 25 -12.747 -20.399 -1.689 149 HB3 PHE 25 2HB PHE 25 -12.793 -22.158 -1.750 150 HD1 PHE 25 2HD PHE 25 -12.489 -19.370 0.703 151 HD2 PHE 25 1HD PHE 25 -13.914 -23.300 -0.098 152 HE1 PHE 25 2HE PHE 25 -13.599 -19.412 2.898 153 HE2 PHE 25 1HE PHE 25 -15.027 -23.348 2.095 154 HZ PHE 25 HZ PHE 25 -14.870 -21.403 3.598 155 H VAL 26 H VAL 26 -10.105 -23.587 -1.954 156 HA VAL 26 HA VAL 26 -8.483 -22.819 -4.096 157 HB VAL 26 HB VAL 26 -9.957 -25.418 -3.653 158 HG11 VAL 26 1HG1 VAL 26 -9.362 -25.964 -5.726 159 HG12 VAL 26 2HG1 VAL 26 -8.422 -24.483 -5.915 160 HG13 VAL 26 3HG1 VAL 26 -7.686 -25.908 -5.181 161 HG21 VAL 26 3HG2 VAL 26 -7.064 -25.383 -3.339 162 HG22 VAL 26 1HG2 VAL 26 -7.888 -24.299 -2.218 163 HG23 VAL 26 2HG2 VAL 26 -8.311 -26.010 -2.262 164 H GLY 27 H GLY 27 -8.827 -22.461 -6.235 165 HA2 GLY 27 1HA GLY 27 -9.963 -22.236 -8.236 166 HA3 GLY 27 2HA GLY 27 -11.302 -23.128 -7.530 167 H GLN 28 H GLN 28 -12.005 -21.571 -5.400 168 HA GLN 28 HA GLN 28 -13.678 -19.671 -6.494 169 HB2 GLN 28 1HB GLN 28 -12.522 -19.671 -3.701 170 HB3 GLN 28 2HB GLN 28 -13.962 -18.803 -4.216 171 HG2 GLN 28 1HG GLN 28 -13.845 -21.746 -4.623 172 HG3 GLN 28 2HG GLN 28 -14.124 -21.119 -2.999 173 HE21 GLN 28 1HE2 GLN 28 -16.190 -21.161 -2.521 174 HE22 GLN 28 2HE2 GLN 28 -17.495 -20.771 -3.584 175 H LYS 29 H LYS 29 -13.601 -17.261 -5.655 176 HA LYS 29 HA LYS 29 -10.943 -16.179 -6.328 177 HB2 LYS 29 1HB LYS 29 -12.922 -15.941 -8.023 178 HB3 LYS 29 2HB LYS 29 -13.470 -14.681 -6.925 179 HG2 LYS 29 1HG LYS 29 -11.480 -13.414 -7.264 180 HG3 LYS 29 2HG LYS 29 -10.728 -14.735 -8.162 181 HD2 LYS 29 1HD LYS 29 -13.290 -13.469 -9.083 182 HD3 LYS 29 2HD LYS 29 -11.719 -12.780 -9.499 183 HE2 LYS 29 1HE LYS 29 -12.051 -14.144 -11.305 184 HE3 LYS 29 2HE LYS 29 -11.203 -15.255 -10.231 185 HZ1 LYS 29 3HZ LYS 29 -14.102 -15.184 -9.992 186 HZ2 LYS 29 1HZ LYS 29 -13.041 -16.499 -9.918 187 HZ3 LYS 29 2HZ LYS 29 -13.489 -15.857 -11.417 188 H SER 30 H SER 30 -10.098 -15.389 -4.513 189 HA SER 30 HA SER 30 -11.835 -14.155 -2.515 190 HB2 SER 30 1HB SER 30 -9.012 -15.179 -2.496 191 HB3 SER 30 2HB SER 30 -9.552 -14.056 -1.248 192 HG SER 30 HG SER 30 -9.807 -16.365 -0.781 193 H SER 31 H SER 31 -12.040 -12.029 -2.314 194 HA SER 31 HA SER 31 -9.961 -10.297 -3.480 195 HB2 SER 31 1HB SER 31 -11.525 -8.928 -4.513 196 HB3 SER 31 2HB SER 31 -12.275 -10.512 -4.708 197 HG SER 31 HG SER 31 -13.346 -8.426 -3.596 198 H PHE 32 H PHE 32 -9.596 -8.307 -2.444 199 HA PHE 32 HA PHE 32 -11.016 -7.694 0.004 200 HB2 PHE 32 1HB PHE 32 -8.999 -7.712 1.410 201 HB3 PHE 32 2HB PHE 32 -9.357 -9.318 0.784 202 HD1 PHE 32 2HD PHE 32 -7.951 -10.321 -0.943 203 HD2 PHE 32 1HD PHE 32 -7.025 -6.530 0.756 204 HE1 PHE 32 2HE PHE 32 -5.669 -10.476 -1.848 205 HE2 PHE 32 1HE PHE 32 -4.741 -6.679 -0.147 206 HZ PHE 32 HZ PHE 32 -4.060 -8.655 -1.451 207 H LEU 33 H LEU 33 -10.907 -5.558 0.543 208 HA LEU 33 HA LEU 33 -9.374 -3.847 -1.290 209 HB2 LEU 33 1HB LEU 33 -11.845 -3.612 -1.261 210 HB3 LEU 33 2HB LEU 33 -11.741 -3.123 0.429 211 HG LEU 33 HG LEU 33 -10.121 -1.285 -0.607 212 HD11 LEU 33 1HD1 LEU 33 -10.327 -0.854 -2.793 213 HD12 LEU 33 2HD1 LEU 33 -12.058 -1.185 -2.797 214 HD13 LEU 33 3HD1 LEU 33 -10.907 -2.516 -2.909 215 HD21 LEU 33 3HD2 LEU 33 -11.729 -0.082 0.336 216 HD22 LEU 33 1HD2 LEU 33 -12.863 -1.425 0.193 217 HD23 LEU 33 2HD2 LEU 33 -12.695 -0.269 -1.129 218 H VAL 34 H VAL 34 -8.312 -1.975 -0.471 219 HA VAL 34 HA VAL 34 -7.715 -2.077 2.413 220 HB VAL 34 HB VAL 34 -5.793 -1.762 0.118 221 HG11 VAL 34 1HG1 VAL 34 -5.669 -0.584 2.804 222 HG12 VAL 34 2HG1 VAL 34 -4.230 -1.482 2.319 223 HG13 VAL 34 3HG1 VAL 34 -4.810 -0.143 1.328 224 HG21 VAL 34 3HG2 VAL 34 -6.511 -3.892 1.828 225 HG22 VAL 34 1HG2 VAL 34 -5.234 -3.853 0.612 226 HG23 VAL 34 2HG2 VAL 34 -4.880 -3.391 2.277 227 H ASP 35 H ASP 35 -8.550 -0.300 3.287 228 HA ASP 35 HA ASP 35 -8.747 2.157 1.744 229 HB2 ASP 35 1HB ASP 35 -9.571 2.012 4.608 230 HB3 ASP 35 2HB ASP 35 -10.332 2.857 3.263 231 H CYS 36 H CYS 36 -7.329 3.763 1.860 232 HA CYS 36 HA CYS 36 -5.461 3.813 4.138 233 HB2 CYS 36 1HB CYS 36 -3.922 5.024 2.504 234 HB3 CYS 36 2HB CYS 36 -4.177 3.307 2.217 235 HG CYS 36 HG CYS 36 -6.211 3.889 0.238 236 H SER 37 H SER 37 -8.146 5.212 3.374 237 HA SER 37 HA SER 37 -7.689 7.949 3.066 238 HB2 SER 37 1HB SER 37 -9.975 8.092 4.342 239 HB3 SER 37 2HB SER 37 -9.910 7.340 2.748 240 HG SER 37 HG SER 37 -11.038 6.161 4.502 241 H LYS 38 H LYS 38 -7.395 5.899 5.844 242 HA LYS 38 HA LYS 38 -7.201 8.178 7.661 243 HB2 LYS 38 1HB LYS 38 -7.383 5.206 8.031 244 HB3 LYS 38 2HB LYS 38 -6.789 6.221 9.339 245 HG2 LYS 38 1HG LYS 38 -8.847 7.411 9.455 246 HG3 LYS 38 2HG LYS 38 -9.437 6.646 7.978 247 HD2 LYS 38 1HD LYS 38 -9.560 4.510 9.060 248 HD3 LYS 38 2HD LYS 38 -8.760 5.140 10.501 249 HE2 LYS 38 1HE LYS 38 -10.754 6.801 10.565 250 HE3 LYS 38 2HE LYS 38 -11.541 5.631 9.507 251 HZ1 LYS 38 3HZ LYS 38 -10.353 4.301 11.696 252 HZ2 LYS 38 1HZ LYS 38 -11.982 4.356 11.245 253 HZ3 LYS 38 2HZ LYS 38 -11.348 5.543 12.269 254 H ALA 39 H ALA 39 -5.201 6.441 5.650 255 HA ALA 39 HA ALA 39 -2.856 6.458 7.349 256 HB1 ALA 39 3HB ALA 39 -1.702 5.663 5.271 257 HB2 ALA 39 1HB ALA 39 -3.024 4.636 5.826 258 HB3 ALA 39 2HB ALA 39 -3.266 5.723 4.457 259 H GLY 40 H GLY 40 -3.418 7.825 4.097 260 HA2 GLY 40 1HA GLY 40 -3.041 10.471 4.504 261 HA3 GLY 40 2HA GLY 40 -1.401 9.843 4.563 262 H SER 41 H SER 41 -0.527 8.828 2.683 263 HA SER 41 HA SER 41 -1.909 8.693 0.219 264 HB2 SER 41 1HB SER 41 -0.448 11.217 0.849 265 HB3 SER 41 2HB SER 41 -0.320 10.576 -0.789 266 HG SER 41 HG SER 41 -2.208 11.413 -1.116 267 H ASN 42 H ASN 42 -0.944 6.897 -0.466 268 HA ASN 42 HA ASN 42 1.820 6.927 -1.197 269 HB2 ASN 42 1HB ASN 42 1.600 6.305 1.370 270 HB3 ASN 42 2HB ASN 42 1.197 4.720 0.717 271 HD21 ASN 42 1HD2 ASN 42 3.664 6.802 1.600 272 HD22 ASN 42 2HD2 ASN 42 4.991 5.942 0.903 273 H MET 43 H MET 43 2.451 4.528 -1.864 274 HA MET 43 HA MET 43 0.253 3.614 -3.570 275 HB2 MET 43 1HB MET 43 2.056 2.393 -4.799 276 HB3 MET 43 2HB MET 43 2.256 4.140 -4.782 277 HG2 MET 43 1HG MET 43 4.062 4.055 -3.350 278 HG3 MET 43 2HG MET 43 3.621 2.468 -2.724 279 HE1 MET 43 3HE MET 43 4.832 0.018 -4.128 280 HE2 MET 43 1HE MET 43 3.190 0.602 -4.399 281 HE3 MET 43 2HE MET 43 4.228 0.221 -5.773 282 H LEU 44 H LEU 44 -0.418 1.478 -3.641 283 HA LEU 44 HA LEU 44 0.385 -0.144 -1.321 284 HB2 LEU 44 1HB LEU 44 -2.004 0.600 -1.522 285 HB3 LEU 44 2HB LEU 44 -2.125 -0.405 -2.965 286 HG LEU 44 HG LEU 44 -1.390 -2.328 -1.390 287 HD11 LEU 44 1HD1 LEU 44 -2.194 -1.986 0.934 288 HD12 LEU 44 2HD1 LEU 44 -2.354 -0.265 0.583 289 HD13 LEU 44 3HD1 LEU 44 -0.767 -1.032 0.528 290 HD21 LEU 44 3HD2 LEU 44 -4.130 -1.121 -1.046 291 HD22 LEU 44 1HD2 LEU 44 -3.682 -2.819 -0.887 292 HD23 LEU 44 2HD2 LEU 44 -3.614 -2.034 -2.465 293 H LEU 45 H LEU 45 1.614 -1.849 -1.722 294 HA LEU 45 HA LEU 45 1.376 -3.174 -4.343 295 HB2 LEU 45 1HB LEU 45 3.692 -3.541 -4.424 296 HB3 LEU 45 2HB LEU 45 3.494 -1.855 -3.950 297 HG LEU 45 HG LEU 45 5.290 -2.772 -2.680 298 HD11 LEU 45 1HD1 LEU 45 3.008 -2.845 -0.744 299 HD12 LEU 45 2HD1 LEU 45 3.459 -1.347 -1.557 300 HD13 LEU 45 3HD1 LEU 45 4.629 -2.182 -0.535 301 HD21 LEU 45 3HD2 LEU 45 4.096 -5.174 -2.964 302 HD22 LEU 45 1HD2 LEU 45 3.688 -4.814 -1.287 303 HD23 LEU 45 2HD2 LEU 45 5.377 -4.843 -1.796 304 H ILE 46 H ILE 46 2.125 -5.469 -4.313 305 HA ILE 46 HA ILE 46 1.618 -6.754 -1.714 306 HB ILE 46 HB ILE 46 0.577 -7.748 -4.369 307 HG12 ILE 46 1HG1 ILE 46 -0.616 -5.735 -3.557 308 HG13 ILE 46 2HG1 ILE 46 -1.639 -7.167 -3.542 309 HG21 ILE 46 1HG2 ILE 46 0.637 -8.866 -1.615 310 HG22 ILE 46 2HG2 ILE 46 -0.776 -9.185 -2.619 311 HG23 ILE 46 3HG2 ILE 46 0.825 -9.677 -3.170 312 HD11 ILE 46 3HD1 ILE 46 -0.878 -7.344 -1.063 313 HD12 ILE 46 1HD1 ILE 46 -0.491 -5.635 -1.262 314 HD13 ILE 46 2HD1 ILE 46 -2.140 -6.202 -1.525 315 H GLY 47 H GLY 47 2.658 -8.748 -1.360 316 HA2 GLY 47 1HA GLY 47 4.779 -9.392 -3.314 317 HA3 GLY 47 2HA GLY 47 5.094 -9.332 -1.587 318 H VAL 48 H VAL 48 2.474 -10.775 -3.522 319 HA VAL 48 HA VAL 48 1.951 -12.961 -1.980 320 HB VAL 48 HB VAL 48 1.265 -14.144 -4.080 321 HG11 VAL 48 1HG1 VAL 48 0.013 -12.206 -2.774 322 HG12 VAL 48 2HG1 VAL 48 0.206 -11.382 -4.323 323 HG13 VAL 48 3HG1 VAL 48 -0.650 -12.922 -4.243 324 HG21 VAL 48 3HG2 VAL 48 2.949 -12.071 -5.237 325 HG22 VAL 48 1HG2 VAL 48 2.387 -13.593 -5.930 326 HG23 VAL 48 2HG2 VAL 48 1.358 -12.162 -5.991 327 H HIS 49 H HIS 49 3.670 -13.976 -1.025 328 HA HIS 49 HA HIS 49 5.917 -14.911 -2.568 329 HB2 HIS 49 1HB HIS 49 5.766 -14.183 -0.026 330 HB3 HIS 49 2HB HIS 49 5.382 -15.886 0.204 331 HD1 HIS 49 1HD HIS 49 8.171 -13.680 0.144 332 HD2 HIS 49 2HD HIS 49 7.504 -17.574 -1.139 333 HE1 HIS 49 1HE HIS 49 10.453 -14.714 -0.079 334 H GLY 50 H GLY 50 6.521 -17.106 -2.859 335 HA2 GLY 50 1HA GLY 50 4.218 -18.958 -2.811 336 HA3 GLY 50 2HA GLY 50 5.443 -18.959 -4.072 337 HA PRO 51 HA PRO 51 7.687 -20.692 -0.167 338 HB2 PRO 51 1HB PRO 51 6.195 -21.034 2.075 339 HB3 PRO 51 2HB PRO 51 7.062 -19.536 1.718 340 HG2 PRO 51 1HG PRO 51 4.168 -20.192 1.320 341 HG3 PRO 51 2HG PRO 51 4.902 -18.708 1.957 342 HD2 PRO 51 1HD PRO 51 4.017 -18.918 -0.594 343 HD3 PRO 51 2HD PRO 51 5.404 -17.906 -0.145 344 H THR 52 H THR 52 4.244 -21.564 -0.301 345 HA THR 52 HA THR 52 5.033 -24.403 -0.315 346 HB THR 52 HB THR 52 3.592 -23.849 1.578 347 HG1 THR 52 1HG THR 52 2.906 -25.805 1.161 348 HG21 THR 52 3HG2 THR 52 2.456 -21.939 0.252 349 HG22 THR 52 1HG2 THR 52 1.488 -22.859 1.403 350 HG23 THR 52 2HG2 THR 52 1.364 -23.199 -0.323 351 H THR 53 H THR 53 2.609 -22.162 -1.656 352 HA THR 53 HA THR 53 2.838 -23.482 -4.238 353 HB THR 53 HB THR 53 0.206 -23.291 -2.763 354 HG1 THR 53 1HG THR 53 0.259 -25.529 -2.903 355 HG21 THR 53 3HG2 THR 53 0.571 -22.921 -5.464 356 HG22 THR 53 1HG2 THR 53 -0.917 -23.474 -4.696 357 HG23 THR 53 2HG2 THR 53 0.228 -24.647 -5.349 358 HA PRO 54 HA PRO 54 2.517 -19.239 -5.457 359 HB2 PRO 54 1HB PRO 54 2.356 -19.665 -8.133 360 HB3 PRO 54 2HB PRO 54 3.865 -19.815 -7.226 361 HG2 PRO 54 1HG PRO 54 1.981 -21.956 -8.134 362 HG3 PRO 54 2HG PRO 54 3.753 -21.933 -8.180 363 HD2 PRO 54 1HD PRO 54 2.362 -23.253 -6.268 364 HD3 PRO 54 2HD PRO 54 3.943 -22.508 -5.956 365 H CYS 55 H CYS 55 1.051 -17.833 -6.697 366 HA CYS 55 HA CYS 55 -1.703 -18.824 -6.528 367 HB2 CYS 55 1HB CYS 55 -0.452 -16.108 -6.349 368 HB3 CYS 55 2HB CYS 55 -2.142 -16.251 -6.819 369 HG CYS 55 HG CYS 55 -0.964 -16.094 -3.846 370 H GLU 56 H GLU 56 -3.227 -18.311 -8.193 371 HA GLU 56 HA GLU 56 -2.289 -18.834 -10.789 372 HB2 GLU 56 1HB GLU 56 -4.686 -19.050 -9.653 373 HB3 GLU 56 2HB GLU 56 -4.921 -17.488 -10.425 374 HG2 GLU 56 1HG GLU 56 -3.811 -19.691 -12.069 375 HG3 GLU 56 2HG GLU 56 -5.517 -19.760 -11.632 376 H GLU 57 H GLU 57 -3.384 -15.823 -9.265 377 HA GLU 57 HA GLU 57 -1.641 -14.212 -10.796 378 HB2 GLU 57 1HB GLU 57 -3.230 -13.025 -12.195 379 HB3 GLU 57 2HB GLU 57 -3.256 -14.739 -12.584 380 HG2 GLU 57 1HG GLU 57 -5.312 -15.055 -11.441 381 HG3 GLU 57 2HG GLU 57 -5.240 -13.439 -10.740 382 H VAL 58 H VAL 58 -2.350 -11.795 -10.584 383 HA VAL 58 HA VAL 58 -3.815 -11.339 -8.090 384 HB VAL 58 HB VAL 58 -1.071 -10.184 -8.602 385 HG11 VAL 58 1HG1 VAL 58 -3.212 -9.609 -6.674 386 HG12 VAL 58 2HG1 VAL 58 -1.603 -9.790 -5.973 387 HG13 VAL 58 3HG1 VAL 58 -1.886 -8.593 -7.237 388 HG21 VAL 58 3HG2 VAL 58 -0.895 -11.633 -6.293 389 HG22 VAL 58 1HG2 VAL 58 -1.951 -12.642 -7.281 390 HG23 VAL 58 2HG2 VAL 58 -0.356 -12.184 -7.880 391 H SER 59 H SER 59 -5.433 -10.111 -8.847 392 HA SER 59 HA SER 59 -4.853 -7.996 -10.783 393 HB2 SER 59 1HB SER 59 -6.768 -9.585 -11.156 394 HB3 SER 59 2HB SER 59 -7.552 -8.882 -9.742 395 HG SER 59 HG SER 59 -6.653 -7.151 -11.741 396 H MET 60 H MET 60 -4.212 -6.141 -9.901 397 HA MET 60 HA MET 60 -5.602 -5.194 -7.481 398 HB2 MET 60 1HB MET 60 -2.847 -4.364 -8.394 399 HB3 MET 60 2HB MET 60 -3.614 -4.006 -6.852 400 HG2 MET 60 1HG MET 60 -3.404 -6.225 -6.111 401 HG3 MET 60 2HG MET 60 -3.026 -6.812 -7.729 402 HE1 MET 60 3HE MET 60 -1.610 -3.528 -6.177 403 HE2 MET 60 1HE MET 60 -1.716 -4.559 -4.749 404 HE3 MET 60 2HE MET 60 -0.138 -4.087 -5.380 405 H LYS 61 H LYS 61 -6.889 -3.508 -7.771 406 HA LYS 61 HA LYS 61 -6.216 -1.542 -9.850 407 HB2 LYS 61 1HB LYS 61 -8.753 -3.070 -9.492 408 HB3 LYS 61 2HB LYS 61 -8.862 -1.397 -10.024 409 HG2 LYS 61 1HG LYS 61 -7.170 -3.468 -11.401 410 HG3 LYS 61 2HG LYS 61 -8.837 -3.102 -11.853 411 HD2 LYS 61 1HD LYS 61 -6.936 -0.831 -11.628 412 HD3 LYS 61 2HD LYS 61 -6.762 -1.913 -13.012 413 HE2 LYS 61 1HE LYS 61 -8.252 -0.438 -13.897 414 HE3 LYS 61 2HE LYS 61 -9.388 -1.553 -13.139 415 HZ1 LYS 61 3HZ LYS 61 -8.400 0.978 -11.938 416 HZ2 LYS 61 1HZ LYS 61 -9.507 -0.087 -11.229 417 HZ3 LYS 61 2HZ LYS 61 -9.924 0.751 -12.637 418 H HIS 62 H HIS 62 -6.814 0.586 -9.418 419 HA HIS 62 HA HIS 62 -7.325 1.134 -6.594 420 HB2 HIS 62 1HB HIS 62 -5.418 2.283 -7.487 421 HB3 HIS 62 2HB HIS 62 -6.348 2.876 -8.860 422 HD1 HIS 62 1HD HIS 62 -6.803 5.282 -8.614 423 HD2 HIS 62 2HD HIS 62 -6.852 3.332 -4.945 424 HE1 HIS 62 1HE HIS 62 -7.334 7.058 -6.916 425 H VAL 63 H VAL 63 -9.594 0.466 -6.852 426 HA VAL 63 HA VAL 63 -11.526 1.454 -8.460 427 HB VAL 63 HB VAL 63 -12.983 1.541 -6.275 428 HG11 VAL 63 1HG1 VAL 63 -12.190 -0.471 -8.068 429 HG12 VAL 63 2HG1 VAL 63 -12.159 -1.198 -6.460 430 HG13 VAL 63 3HG1 VAL 63 -13.633 -0.434 -7.055 431 HG21 VAL 63 3HG2 VAL 63 -12.100 0.554 -4.359 432 HG22 VAL 63 1HG2 VAL 63 -10.724 -0.126 -5.227 433 HG23 VAL 63 2HG2 VAL 63 -10.796 1.607 -4.907 434 H GLY 64 H GLY 64 -9.910 3.191 -5.868 435 HA2 GLY 64 1HA GLY 64 -9.675 5.620 -6.259 436 HA3 GLY 64 2HA GLY 64 -11.378 5.620 -6.695 437 H ASN 65 H ASN 65 -11.164 7.409 -4.991 438 HA ASN 65 HA ASN 65 -11.589 8.201 -2.898 439 HB2 ASN 65 1HB ASN 65 -13.190 5.696 -3.117 440 HB3 ASN 65 2HB ASN 65 -13.078 6.462 -1.535 441 HD21 ASN 65 1HD2 ASN 65 -15.162 7.136 -1.403 442 HD22 ASN 65 2HD2 ASN 65 -15.848 8.338 -2.438 443 H GLN 66 H GLN 66 -9.134 6.666 -3.282 444 HA GLN 66 HA GLN 66 -7.356 6.046 -1.997 445 HB2 GLN 66 1HB GLN 66 -9.004 6.294 0.496 446 HB3 GLN 66 2HB GLN 66 -7.287 6.599 0.269 447 HG2 GLN 66 1HG GLN 66 -9.591 8.314 -0.610 448 HG3 GLN 66 2HG GLN 66 -8.351 8.691 0.585 449 HE21 GLN 66 1HE2 GLN 66 -9.333 9.461 -2.373 450 HE22 GLN 66 2HE2 GLN 66 -7.829 9.865 -3.121 451 H GLN 67 H GLN 67 -9.426 4.188 -2.954 452 HA GLN 67 HA GLN 67 -9.062 2.017 -0.996 453 HB2 GLN 67 1HB GLN 67 -11.217 2.345 -3.090 454 HB3 GLN 67 2HB GLN 67 -11.046 0.958 -2.023 455 HG2 GLN 67 1HG GLN 67 -11.476 2.333 -0.093 456 HG3 GLN 67 2HG GLN 67 -11.519 3.781 -1.097 457 HE21 GLN 67 1HE2 GLN 67 -13.568 2.767 0.653 458 HE22 GLN 67 2HE2 GLN 67 -14.959 2.467 -0.327 459 H TYR 68 H TYR 68 -8.305 0.038 -1.685 460 HA TYR 68 HA TYR 68 -7.434 -0.130 -4.492 461 HB2 TYR 68 1HB TYR 68 -5.859 -0.809 -2.008 462 HB3 TYR 68 2HB TYR 68 -5.403 -1.368 -3.613 463 HD1 TYR 68 2HD TYR 68 -4.772 0.303 -5.361 464 HD2 TYR 68 1HD TYR 68 -5.392 1.409 -1.299 465 HE1 TYR 68 2HE TYR 68 -3.562 2.408 -5.755 466 HE2 TYR 68 1HE TYR 68 -4.185 3.517 -1.682 467 HH TYR 68 HH TYR 68 -3.757 4.982 -4.078 468 H ASN 69 H ASN 69 -8.469 -1.751 -5.433 469 HA ASN 69 HA ASN 69 -9.470 -3.978 -3.854 470 HB2 ASN 69 1HB ASN 69 -10.676 -2.679 -5.809 471 HB3 ASN 69 2HB ASN 69 -9.796 -3.819 -6.822 472 HD21 ASN 69 1HD2 ASN 69 -9.859 -5.997 -5.002 473 HD22 ASN 69 2HD2 ASN 69 -11.485 -6.578 -4.943 474 H VAL 70 H VAL 70 -8.559 -5.929 -3.755 475 HA VAL 70 HA VAL 70 -6.603 -6.695 -5.810 476 HB VAL 70 HB VAL 70 -6.169 -7.093 -2.847 477 HG11 VAL 70 1HG1 VAL 70 -5.166 -8.871 -4.082 478 HG12 VAL 70 2HG1 VAL 70 -4.490 -7.746 -5.262 479 HG13 VAL 70 3HG1 VAL 70 -3.881 -7.762 -3.606 480 HG21 VAL 70 3HG2 VAL 70 -5.628 -4.897 -2.961 481 HG22 VAL 70 1HG2 VAL 70 -4.120 -5.540 -3.611 482 HG23 VAL 70 2HG2 VAL 70 -5.366 -4.939 -4.704 483 H THR 71 H THR 71 -7.101 -8.596 -6.659 484 HA THR 71 HA THR 71 -8.452 -10.596 -4.973 485 HB THR 71 HB THR 71 -9.084 -10.428 -7.895 486 HG1 THR 71 1HG THR 71 -9.815 -8.460 -7.441 487 HG21 THR 71 3HG2 THR 71 -11.238 -11.375 -7.080 488 HG22 THR 71 1HG2 THR 71 -10.566 -11.401 -5.451 489 HG23 THR 71 2HG2 THR 71 -9.842 -12.390 -6.719 490 H TYR 72 H TYR 72 -7.876 -12.724 -5.297 491 HA TYR 72 HA TYR 72 -5.912 -13.320 -7.385 492 HB2 TYR 72 1HB TYR 72 -4.493 -14.525 -5.747 493 HB3 TYR 72 2HB TYR 72 -4.567 -12.795 -5.435 494 HD1 TYR 72 1HD TYR 72 -6.060 -16.035 -4.371 495 HD2 TYR 72 2HD TYR 72 -5.170 -12.009 -3.321 496 HE1 TYR 72 1HE TYR 72 -6.764 -16.489 -2.059 497 HE2 TYR 72 2HE TYR 72 -5.870 -12.452 -1.005 498 HH TYR 72 HH TYR 72 -7.530 -14.222 0.108 499 H VAL 73 H VAL 73 -5.387 -15.795 -7.255 500 HA VAL 73 HA VAL 73 -7.751 -17.342 -6.493 501 HB VAL 73 HB VAL 73 -6.597 -17.242 -9.277 502 HG11 VAL 73 1HG1 VAL 73 -8.753 -19.037 -9.208 503 HG12 VAL 73 2HG1 VAL 73 -7.054 -19.404 -9.512 504 HG13 VAL 73 3HG1 VAL 73 -7.696 -19.489 -7.871 505 HG21 VAL 73 3HG2 VAL 73 -8.247 -15.701 -9.384 506 HG22 VAL 73 1HG2 VAL 73 -9.271 -17.126 -9.558 507 HG23 VAL 73 2HG2 VAL 73 -9.095 -16.353 -7.982 508 H VAL 74 H VAL 74 -7.048 -18.961 -5.280 509 HA VAL 74 HA VAL 74 -4.332 -19.982 -5.664 510 HB VAL 74 HB VAL 74 -4.757 -21.185 -3.499 511 HG11 VAL 74 1HG1 VAL 74 -5.213 -18.247 -3.132 512 HG12 VAL 74 2HG1 VAL 74 -4.191 -19.343 -2.199 513 HG13 VAL 74 3HG1 VAL 74 -3.706 -18.849 -3.822 514 HG21 VAL 74 3HG2 VAL 74 -6.883 -19.529 -2.563 515 HG22 VAL 74 1HG2 VAL 74 -7.412 -20.371 -4.019 516 HG23 VAL 74 2HG2 VAL 74 -6.804 -21.289 -2.642 517 H LYS 75 H LYS 75 -4.105 -21.670 -6.964 518 HA LYS 75 HA LYS 75 -6.317 -23.449 -7.517 519 HB2 LYS 75 1HB LYS 75 -3.482 -23.315 -8.543 520 HB3 LYS 75 2HB LYS 75 -4.620 -24.565 -9.031 521 HG2 LYS 75 1HG LYS 75 -5.314 -21.671 -9.329 522 HG3 LYS 75 2HG LYS 75 -4.315 -22.494 -10.530 523 HD2 LYS 75 1HD LYS 75 -6.855 -23.790 -9.679 524 HD3 LYS 75 2HD LYS 75 -6.950 -22.390 -10.750 525 HE2 LYS 75 1HE LYS 75 -6.819 -24.099 -12.278 526 HE3 LYS 75 2HE LYS 75 -5.115 -23.682 -12.099 527 HZ1 LYS 75 3HZ LYS 75 -4.673 -25.695 -11.312 528 HZ2 LYS 75 1HZ LYS 75 -6.241 -26.158 -11.746 529 HZ3 LYS 75 2HZ LYS 75 -5.923 -25.618 -10.175 530 H GLU 76 H GLU 76 -4.848 -23.327 -4.846 531 HA GLU 76 HA GLU 76 -4.864 -26.167 -4.388 532 HB2 GLU 76 1HB GLU 76 -2.511 -25.493 -5.258 533 HB3 GLU 76 2HB GLU 76 -2.304 -24.775 -3.667 534 HG2 GLU 76 1HG GLU 76 -2.509 -26.860 -2.588 535 HG3 GLU 76 2HG GLU 76 -3.109 -27.640 -4.051 536 H ARG 77 H ARG 77 -4.331 -26.643 -2.033 537 HA ARG 77 HA ARG 77 -5.369 -24.442 -0.373 538 HB2 ARG 77 1HB ARG 77 -6.207 -26.217 1.147 539 HB3 ARG 77 2HB ARG 77 -6.924 -26.289 -0.457 540 HG2 ARG 77 1HG ARG 77 -5.187 -28.050 -1.002 541 HG3 ARG 77 2HG ARG 77 -4.840 -28.093 0.728 542 HD2 ARG 77 1HD ARG 77 -7.442 -28.380 0.918 543 HD3 ARG 77 2HD ARG 77 -7.289 -28.943 -0.746 544 HE ARG 77 HE ARG 77 -5.489 -30.188 1.145 545 HH11 ARG 77 1HH1 ARG 77 -8.573 -30.326 -0.466 546 HH12 ARG 77 2HH1 ARG 77 -8.765 -32.032 -0.232 547 HH21 ARG 77 1HH2 ARG 77 -5.731 -32.434 1.459 548 HH22 ARG 77 2HH2 ARG 77 -7.148 -33.230 0.864 549 H GLY 78 H GLY 78 -4.811 -25.046 2.093 550 HA2 GLY 78 1HA GLY 78 -2.950 -26.078 3.406 551 HA3 GLY 78 2HA GLY 78 -1.885 -25.466 2.149 552 H ASP 79 H ASP 79 -0.709 -24.354 3.795 553 HA ASP 79 HA ASP 79 -2.101 -22.110 5.063 554 HB2 ASP 79 1HB ASP 79 0.249 -21.883 6.190 555 HB3 ASP 79 2HB ASP 79 -0.845 -23.164 6.704 556 H TYR 80 H TYR 80 -2.264 -20.478 3.628 557 HA TYR 80 HA TYR 80 -0.033 -19.808 1.894 558 HB2 TYR 80 1HB TYR 80 -2.875 -18.876 2.135 559 HB3 TYR 80 2HB TYR 80 -1.708 -17.920 1.227 560 HD1 TYR 80 1HD TYR 80 -3.517 -21.119 1.365 561 HD2 TYR 80 2HD TYR 80 -0.876 -18.671 -0.902 562 HE1 TYR 80 1HE TYR 80 -3.880 -22.555 -0.599 563 HE2 TYR 80 2HE TYR 80 -1.233 -20.099 -2.872 564 HH TYR 80 HH TYR 80 -3.094 -23.077 -2.670 565 H VAL 81 H VAL 81 0.693 -17.536 1.729 566 HA VAL 81 HA VAL 81 0.597 -16.119 4.306 567 HB VAL 81 HB VAL 81 3.077 -16.574 2.640 568 HG11 VAL 81 1HG1 VAL 81 2.771 -15.069 5.237 569 HG12 VAL 81 2HG1 VAL 81 4.264 -15.312 4.328 570 HG13 VAL 81 3HG1 VAL 81 2.969 -14.324 3.651 571 HG21 VAL 81 3HG2 VAL 81 2.143 -17.675 5.274 572 HG22 VAL 81 1HG2 VAL 81 2.691 -18.550 3.844 573 HG23 VAL 81 2HG2 VAL 81 3.848 -17.650 4.825 574 H LEU 82 H LEU 82 -0.611 -14.393 3.744 575 HA LEU 82 HA LEU 82 -0.163 -13.035 1.216 576 HB2 LEU 82 1HB LEU 82 -2.440 -13.299 1.873 577 HB3 LEU 82 2HB LEU 82 -2.120 -12.608 3.462 578 HG LEU 82 HG LEU 82 -1.652 -10.426 2.325 579 HD11 LEU 82 1HD1 LEU 82 -2.951 -10.494 -0.021 580 HD12 LEU 82 2HD1 LEU 82 -2.233 -12.105 -0.030 581 HD13 LEU 82 3HD1 LEU 82 -1.203 -10.682 0.129 582 HD21 LEU 82 3HD2 LEU 82 -4.398 -11.589 1.873 583 HD22 LEU 82 1HD2 LEU 82 -3.993 -9.877 1.992 584 HD23 LEU 82 2HD2 LEU 82 -3.804 -10.927 3.396 585 H ALA 83 H ALA 83 1.290 -11.479 1.006 586 HA ALA 83 HA ALA 83 2.117 -9.981 3.402 587 HB1 ALA 83 3HB ALA 83 3.706 -10.050 0.867 588 HB2 ALA 83 1HB ALA 83 4.249 -9.763 2.521 589 HB3 ALA 83 2HB ALA 83 3.786 -11.388 2.013 590 H VAL 84 H VAL 84 1.264 -8.020 3.548 591 HA VAL 84 HA VAL 84 0.815 -6.492 1.066 592 HB VAL 84 HB VAL 84 -0.751 -6.038 3.592 593 HG11 VAL 84 1HG1 VAL 84 -2.247 -4.846 2.221 594 HG12 VAL 84 2HG1 VAL 84 -0.638 -4.345 1.699 595 HG13 VAL 84 3HG1 VAL 84 -1.553 -5.513 0.744 596 HG21 VAL 84 3HG2 VAL 84 -0.958 -8.422 2.767 597 HG22 VAL 84 1HG2 VAL 84 -2.461 -7.506 2.876 598 HG23 VAL 84 2HG2 VAL 84 -1.693 -7.756 1.308 599 H LYS 85 H LYS 85 2.104 -4.794 0.883 600 HA LYS 85 HA LYS 85 3.179 -3.561 3.331 601 HB2 LYS 85 1HB LYS 85 4.284 -3.859 0.554 602 HB3 LYS 85 2HB LYS 85 4.884 -2.599 1.624 603 HG2 LYS 85 1HG LYS 85 5.334 -4.436 3.308 604 HG3 LYS 85 2HG LYS 85 5.033 -5.574 1.992 605 HD2 LYS 85 1HD LYS 85 7.333 -5.312 1.904 606 HD3 LYS 85 2HD LYS 85 6.777 -4.145 0.702 607 HE2 LYS 85 1HE LYS 85 7.212 -2.330 2.082 608 HE3 LYS 85 2HE LYS 85 7.184 -3.310 3.547 609 HZ1 LYS 85 3HZ LYS 85 9.234 -4.276 1.927 610 HZ2 LYS 85 1HZ LYS 85 9.372 -3.474 3.410 611 HZ3 LYS 85 2HZ LYS 85 9.392 -2.593 1.967 612 H TRP 86 H TRP 86 3.360 -1.266 3.425 613 HA TRP 86 HA TRP 86 1.661 0.194 1.520 614 HB2 TRP 86 1HB TRP 86 0.289 -0.159 3.474 615 HB3 TRP 86 2HB TRP 86 1.584 0.386 4.537 616 HD1 TRP 86 HD TRP 86 1.361 2.809 5.311 617 HE1 TRP 86 1HE TRP 86 0.143 4.914 4.469 618 HE3 TRP 86 3HE TRP 86 -0.558 0.948 0.953 619 HZ2 TRP 86 2HZ TRP 86 -1.425 5.684 2.252 620 HZ3 TRP 86 3HZ TRP 86 -1.907 2.434 -0.471 621 HH2 TRP 86 HH TRP 86 -2.331 4.752 0.167 622 H GLY 87 H GLY 87 3.342 1.188 0.471 623 HA2 GLY 87 1HA GLY 87 5.081 2.651 0.121 624 HA3 GLY 87 2HA GLY 87 4.347 3.575 1.423 625 H GLU 88 H GLU 88 6.446 0.746 0.902 626 HA GLU 88 HA GLU 88 8.296 0.008 2.002 627 HB2 GLU 88 1HB GLU 88 8.411 2.942 2.678 628 HB3 GLU 88 2HB GLU 88 9.643 1.809 3.217 629 HG2 GLU 88 1HG GLU 88 9.806 1.176 0.713 630 HG3 GLU 88 2HG GLU 88 8.998 2.720 0.449 631 H GLU 89 H GLU 89 6.014 -0.647 3.260 632 HA GLU 89 HA GLU 89 6.868 -0.914 5.981 633 HB2 GLU 89 1HB GLU 89 4.423 0.748 5.359 634 HB3 GLU 89 2HB GLU 89 4.765 0.069 6.944 635 HG2 GLU 89 1HG GLU 89 7.013 1.318 6.742 636 HG3 GLU 89 2HG GLU 89 6.203 2.235 5.473 637 H HIS 90 H HIS 90 4.909 -1.967 7.276 638 HA HIS 90 HA HIS 90 3.548 -3.868 5.488 639 HB2 HIS 90 1HB HIS 90 5.193 -4.444 7.938 640 HB3 HIS 90 2HB HIS 90 3.928 -5.553 7.416 641 HD1 HIS 90 1HD HIS 90 4.635 -7.279 5.787 642 HD2 HIS 90 2HD HIS 90 7.191 -4.003 5.785 643 HE1 HIS 90 1HE HIS 90 6.506 -7.887 4.221 644 H ILE 91 H ILE 91 1.447 -3.457 5.681 645 HA ILE 91 HA ILE 91 0.127 -2.043 7.604 646 HB ILE 91 HB ILE 91 -1.936 -3.178 6.938 647 HG12 ILE 91 1HG1 ILE 91 -0.207 -5.021 5.283 648 HG13 ILE 91 2HG1 ILE 91 -0.869 -5.472 6.850 649 HG21 ILE 91 1HG2 ILE 91 -1.360 -1.501 5.439 650 HG22 ILE 91 2HG2 ILE 91 0.032 -2.391 4.825 651 HG23 ILE 91 3HG2 ILE 91 -1.601 -2.900 4.393 652 HD11 ILE 91 3HD1 ILE 91 -2.469 -4.701 4.422 653 HD12 ILE 91 1HD1 ILE 91 -2.216 -6.340 5.023 654 HD13 ILE 91 2HD1 ILE 91 -3.125 -5.176 5.988 655 HA PRO 92 HA PRO 92 0.000 -4.410 11.303 656 HB2 PRO 92 1HB PRO 92 -2.368 -3.582 12.339 657 HB3 PRO 92 2HB PRO 92 -0.927 -2.559 12.300 658 HG2 PRO 92 1HG PRO 92 -3.283 -2.584 10.453 659 HG3 PRO 92 2HG PRO 92 -2.421 -1.199 11.148 660 HD2 PRO 92 1HD PRO 92 -2.002 -2.054 8.613 661 HD3 PRO 92 2HD PRO 92 -0.720 -1.320 9.598 662 H GLY 93 H GLY 93 -0.180 -6.525 10.449 663 HA2 GLY 93 1HA GLY 93 -2.082 -8.192 11.282 664 HA3 GLY 93 2HA GLY 93 -2.834 -7.551 9.829 665 H SER 94 H SER 94 0.064 -7.339 8.759 666 HA SER 94 HA SER 94 0.092 -10.061 7.683 667 HB2 SER 94 1HB SER 94 0.196 -8.714 5.833 668 HB3 SER 94 2HB SER 94 0.994 -7.403 6.701 669 HG SER 94 HG SER 94 2.865 -8.191 6.147 670 HA PRO 95 HA PRO 95 1.705 -11.057 6.264 671 HB2 PRO 95 1HB PRO 95 2.489 -13.612 6.740 672 HB3 PRO 95 2HB PRO 95 3.577 -12.377 6.094 673 HG2 PRO 95 1HG PRO 95 3.293 -13.369 8.904 674 HG3 PRO 95 2HG PRO 95 4.768 -13.018 7.985 675 HD2 PRO 95 1HD PRO 95 3.745 -11.299 9.810 676 HD3 PRO 95 2HD PRO 95 4.615 -10.749 8.363 677 H PHE 96 H PHE 96 -0.297 -11.823 5.936 678 HA PHE 96 HA PHE 96 -1.889 -12.611 8.213 679 HB2 PHE 96 1HB PHE 96 -2.453 -11.987 5.338 680 HB3 PHE 96 2HB PHE 96 -3.659 -12.847 6.289 681 HD1 PHE 96 2HD PHE 96 -1.667 -9.733 6.134 682 HD2 PHE 96 1HD PHE 96 -5.059 -11.708 7.779 683 HE1 PHE 96 2HE PHE 96 -2.465 -7.593 7.047 684 HE2 PHE 96 1HE PHE 96 -5.864 -9.570 8.695 685 HZ PHE 96 HZ PHE 96 -4.566 -7.509 8.330 686 H HIS 97 H HIS 97 -2.594 -14.610 8.714 687 HA HIS 97 HA HIS 97 -1.487 -16.836 7.188 688 HB2 HIS 97 1HB HIS 97 -1.121 -16.833 9.605 689 HB3 HIS 97 2HB HIS 97 -2.859 -16.774 9.884 690 HD1 HIS 97 1HD HIS 97 -2.883 -19.006 11.151 691 HD2 HIS 97 2HD HIS 97 -1.417 -19.297 7.274 692 HE1 HIS 97 1HE HIS 97 -2.777 -21.469 10.656 693 H VAL 98 H VAL 98 -2.757 -17.274 5.468 694 HA VAL 98 HA VAL 98 -5.659 -17.413 5.833 695 HB VAL 98 HB VAL 98 -3.970 -17.508 3.331 696 HG11 VAL 98 1HG1 VAL 98 -5.695 -18.339 2.209 697 HG12 VAL 98 2HG1 VAL 98 -6.548 -18.566 3.737 698 HG13 VAL 98 3HG1 VAL 98 -6.751 -17.068 2.827 699 HG21 VAL 98 3HG2 VAL 98 -4.567 -15.319 2.944 700 HG22 VAL 98 1HG2 VAL 98 -6.014 -15.424 3.947 701 HG23 VAL 98 2HG2 VAL 98 -4.423 -15.325 4.702 702 H THR 99 H THR 99 -6.641 -19.289 6.155 703 HA THR 99 HA THR 99 -5.189 -21.767 5.516 704 HB THR 99 HB THR 99 -7.473 -21.382 7.461 705 HG1 THR 99 1HG THR 99 -5.134 -20.563 7.857 706 HG21 THR 99 3HG2 THR 99 -7.585 -23.617 6.806 707 HG22 THR 99 1HG2 THR 99 -6.560 -23.674 8.240 708 HG23 THR 99 2HG2 THR 99 -5.836 -23.755 6.634 709 H VAL 100 H VAL 100 -5.908 -22.977 3.896 710 HA VAL 100 HA VAL 100 -8.581 -22.444 2.813 711 HB VAL 100 HB VAL 100 -6.263 -23.934 1.573 712 HG11 VAL 100 1HG1 VAL 100 -7.541 -24.387 -0.250 713 HG12 VAL 100 2HG1 VAL 100 -8.820 -24.383 0.966 714 HG13 VAL 100 3HG1 VAL 100 -8.550 -22.957 -0.036 715 HG21 VAL 100 3HG2 VAL 100 -5.504 -21.987 0.806 716 HG22 VAL 100 1HG2 VAL 100 -7.103 -21.530 0.221 717 HG23 VAL 100 2HG2 VAL 100 -6.643 -21.187 1.888 718 HA PRO 101 HA PRO 101 -10.067 -26.259 4.486 719 HB2 PRO 101 1HB PRO 101 -12.353 -26.413 3.029 720 HB3 PRO 101 2HB PRO 101 -12.153 -25.301 4.388 721 HG2 PRO 101 1HG PRO 101 -11.913 -24.767 1.452 722 HG3 PRO 101 2HG PRO 101 -12.702 -23.792 2.706 723 HD2 PRO 101 1HD PRO 101 -10.236 -23.215 1.747 724 HD3 PRO 101 2HD PRO 101 -10.711 -22.878 3.424 Start of MODEL 3 1 H1 GLY 1 H GLY 1 10.711 19.799 4.469 2 HA2 GLY 1 1HA GLY 1 9.052 20.861 6.644 3 HA3 GLY 1 2HA GLY 1 9.459 19.170 6.390 4 H SER 2 H SER 2 10.574 22.241 7.633 5 HA SER 2 HA SER 2 13.156 21.831 8.320 6 HB2 SER 2 1HB SER 2 10.918 23.143 9.837 7 HB3 SER 2 2HB SER 2 12.539 23.066 10.527 8 HG SER 2 HG SER 2 11.577 24.581 8.437 9 H SER 3 H SER 3 10.347 20.560 10.070 10 HA SER 3 HA SER 3 12.000 19.165 11.980 11 HB2 SER 3 1HB SER 3 9.037 19.348 11.492 12 HB3 SER 3 2HB SER 3 9.695 18.147 12.604 13 HG SER 3 HG SER 3 9.143 20.094 13.671 14 H GLY 4 H GLY 4 9.845 18.243 9.302 15 HA2 GLY 4 1HA GLY 4 11.500 15.996 8.639 16 HA3 GLY 4 2HA GLY 4 10.000 15.510 9.417 17 H SER 5 H SER 5 7.979 16.426 8.425 18 HA SER 5 HA SER 5 8.062 17.293 5.702 19 HB2 SER 5 1HB SER 5 6.914 15.276 4.765 20 HB3 SER 5 2HB SER 5 8.579 14.971 5.262 21 HG SER 5 HG SER 5 6.571 14.535 7.145 22 H SER 6 H SER 6 5.903 17.601 4.798 23 HA SER 6 HA SER 6 4.085 18.553 6.786 24 HB2 SER 6 1HB SER 6 4.153 18.519 3.796 25 HB3 SER 6 2HB SER 6 2.619 18.843 4.604 26 HG SER 6 HG SER 6 4.963 20.232 5.328 27 H GLY 7 H GLY 7 4.025 15.891 4.437 28 HA2 GLY 7 1HA GLY 7 1.785 14.731 5.977 29 HA3 GLY 7 2HA GLY 7 1.884 14.618 4.226 30 H SER 8 H SER 8 2.240 12.868 6.924 31 HA SER 8 HA SER 8 4.500 11.290 5.899 32 HB2 SER 8 1HB SER 8 4.648 12.094 8.255 33 HB3 SER 8 2HB SER 8 3.203 11.157 8.632 34 HG SER 8 HG SER 8 5.317 9.830 7.389 35 H SER 9 H SER 9 4.305 9.086 5.549 36 HA SER 9 HA SER 9 1.539 8.136 5.263 37 HB2 SER 9 1HB SER 9 4.093 7.263 3.897 38 HB3 SER 9 2HB SER 9 2.540 6.454 3.690 39 HG SER 9 HG SER 9 2.617 9.211 3.296 40 H ASP 10 H ASP 10 0.854 6.846 6.827 41 HA ASP 10 HA ASP 10 2.797 5.070 8.149 42 HB2 ASP 10 1HB ASP 10 0.419 6.569 9.140 43 HB3 ASP 10 2HB ASP 10 0.780 5.014 9.884 44 H ALA 11 H ALA 11 2.230 2.915 8.560 45 HA ALA 11 HA ALA 11 0.273 1.840 6.677 46 HB1 ALA 11 3HB ALA 11 1.370 -0.247 6.906 47 HB2 ALA 11 1HB ALA 11 2.637 0.977 6.801 48 HB3 ALA 11 2HB ALA 11 2.213 0.276 8.364 49 H SER 12 H SER 12 1.014 1.847 10.131 50 HA SER 12 HA SER 12 -0.794 0.008 11.080 51 HB2 SER 12 1HB SER 12 0.160 2.621 12.243 52 HB3 SER 12 2HB SER 12 -0.932 1.556 13.129 53 HG SER 12 HG SER 12 1.660 0.921 12.160 54 H LYS 13 H LYS 13 -1.420 3.096 9.666 55 HA LYS 13 HA LYS 13 -4.110 3.320 10.678 56 HB2 LYS 13 1HB LYS 13 -2.705 4.838 8.471 57 HB3 LYS 13 2HB LYS 13 -4.275 5.250 9.148 58 HG2 LYS 13 1HG LYS 13 -1.670 5.218 10.659 59 HG3 LYS 13 2HG LYS 13 -2.496 6.655 10.051 60 HD2 LYS 13 1HD LYS 13 -4.496 5.869 11.442 61 HD3 LYS 13 2HD LYS 13 -3.356 4.779 12.235 62 HE2 LYS 13 1HE LYS 13 -2.010 6.635 12.962 63 HE3 LYS 13 2HE LYS 13 -2.995 7.766 12.034 64 HZ1 LYS 13 3HZ LYS 13 -3.485 6.594 14.624 65 HZ2 LYS 13 1HZ LYS 13 -4.825 6.563 13.593 66 HZ3 LYS 13 2HZ LYS 13 -4.074 8.033 13.958 67 H VAL 14 H VAL 14 -2.543 2.221 7.728 68 HA VAL 14 HA VAL 14 -4.829 1.995 6.109 69 HB VAL 14 HB VAL 14 -2.191 0.542 6.069 70 HG11 VAL 14 1HG1 VAL 14 -4.654 -0.162 4.716 71 HG12 VAL 14 2HG1 VAL 14 -3.354 0.194 3.577 72 HG13 VAL 14 3HG1 VAL 14 -3.129 -1.043 4.815 73 HG21 VAL 14 3HG2 VAL 14 -1.997 1.883 3.920 74 HG22 VAL 14 1HG2 VAL 14 -3.419 2.770 4.468 75 HG23 VAL 14 2HG2 VAL 14 -1.940 2.797 5.427 76 H THR 15 H THR 15 -6.445 0.567 6.043 77 HA THR 15 HA THR 15 -6.205 -1.879 7.673 78 HB THR 15 HB THR 15 -8.606 -1.751 8.131 79 HG1 THR 15 1HG THR 15 -8.804 -0.272 6.100 80 HG21 THR 15 3HG2 THR 15 -7.655 -0.764 9.933 81 HG22 THR 15 1HG2 THR 15 -8.428 0.682 9.285 82 HG23 THR 15 2HG2 THR 15 -6.724 0.369 8.954 83 H SER 16 H SER 16 -7.527 -3.694 6.964 84 HA SER 16 HA SER 16 -8.246 -3.615 4.117 85 HB2 SER 16 1HB SER 16 -7.202 -5.839 3.802 86 HB3 SER 16 2HB SER 16 -6.019 -4.609 4.245 87 HG SER 16 HG SER 16 -6.669 -5.499 6.514 88 H LYS 17 H LYS 17 -9.977 -4.869 3.526 89 HA LYS 17 HA LYS 17 -11.249 -6.496 5.618 90 HB2 LYS 17 1HB LYS 17 -13.455 -5.603 4.935 91 HB3 LYS 17 2HB LYS 17 -12.409 -4.370 5.626 92 HG2 LYS 17 1HG LYS 17 -11.796 -3.994 3.076 93 HG3 LYS 17 2HG LYS 17 -13.405 -4.683 2.853 94 HD2 LYS 17 1HD LYS 17 -13.970 -2.482 3.055 95 HD3 LYS 17 2HD LYS 17 -14.009 -2.942 4.758 96 HE2 LYS 17 1HE LYS 17 -11.447 -1.975 3.582 97 HE3 LYS 17 2HE LYS 17 -12.708 -0.800 3.955 98 HZ1 LYS 17 3HZ LYS 17 -11.413 -0.917 5.872 99 HZ2 LYS 17 1HZ LYS 17 -11.274 -2.602 5.807 100 HZ3 LYS 17 2HZ LYS 17 -12.748 -1.891 6.234 101 H GLY 18 H GLY 18 -12.503 -8.237 4.882 102 HA2 GLY 18 1HA GLY 18 -13.548 -9.060 2.648 103 HA3 GLY 18 2HA GLY 18 -11.869 -9.040 2.128 104 H ALA 19 H ALA 19 -12.829 -11.381 1.798 105 HA ALA 19 HA ALA 19 -12.607 -12.999 4.209 106 HB1 ALA 19 3HB ALA 19 -13.710 -14.644 3.090 107 HB2 ALA 19 1HB ALA 19 -14.275 -13.255 2.161 108 HB3 ALA 19 2HB ALA 19 -12.957 -14.253 1.544 109 H GLY 20 H GLY 20 -11.008 -12.697 1.044 110 HA2 GLY 20 1HA GLY 20 -9.147 -14.672 1.126 111 HA3 GLY 20 2HA GLY 20 -8.800 -13.073 0.483 112 H LEU 21 H LEU 21 -9.116 -11.730 3.043 113 HA LEU 21 HA LEU 21 -6.454 -11.948 3.971 114 HB2 LEU 21 1HB LEU 21 -8.820 -10.639 5.302 115 HB3 LEU 21 2HB LEU 21 -7.125 -10.364 5.699 116 HG LEU 21 HG LEU 21 -8.156 -9.771 2.949 117 HD11 LEU 21 1HD1 LEU 21 -9.312 -7.981 3.576 118 HD12 LEU 21 2HD1 LEU 21 -8.029 -7.448 4.661 119 HD13 LEU 21 3HD1 LEU 21 -9.237 -8.603 5.225 120 HD21 LEU 21 3HD2 LEU 21 -6.011 -8.420 4.570 121 HD22 LEU 21 1HD2 LEU 21 -6.298 -8.311 2.833 122 HD23 LEU 21 2HD2 LEU 21 -5.702 -9.816 3.536 123 H SER 22 H SER 22 -9.531 -13.180 5.171 124 HA SER 22 HA SER 22 -8.337 -14.283 7.559 125 HB2 SER 22 1HB SER 22 -10.746 -13.421 7.325 126 HB3 SER 22 2HB SER 22 -11.081 -14.943 6.500 127 HG SER 22 HG SER 22 -11.265 -15.774 8.409 128 H LYS 23 H LYS 23 -9.938 -15.655 4.683 129 HA LYS 23 HA LYS 23 -8.053 -17.846 4.637 130 HB2 LYS 23 1HB LYS 23 -10.011 -19.517 4.566 131 HB3 LYS 23 2HB LYS 23 -9.503 -18.906 6.135 132 HG2 LYS 23 1HG LYS 23 -11.343 -17.297 6.104 133 HG3 LYS 23 2HG LYS 23 -11.854 -17.917 4.533 134 HD2 LYS 23 1HD LYS 23 -12.603 -19.915 5.418 135 HD3 LYS 23 2HD LYS 23 -11.555 -19.799 6.834 136 HE2 LYS 23 1HE LYS 23 -13.636 -19.346 7.730 137 HE3 LYS 23 2HE LYS 23 -13.008 -17.728 7.418 138 HZ1 LYS 23 3HZ LYS 23 -15.302 -17.972 6.677 139 HZ2 LYS 23 1HZ LYS 23 -14.852 -19.226 5.635 140 HZ3 LYS 23 2HZ LYS 23 -14.273 -17.659 5.371 141 H ALA 24 H ALA 24 -8.496 -19.321 2.754 142 HA ALA 24 HA ALA 24 -9.961 -17.957 0.601 143 HB1 ALA 24 3HB ALA 24 -7.911 -17.309 -0.119 144 HB2 ALA 24 1HB ALA 24 -7.082 -18.634 0.699 145 HB3 ALA 24 2HB ALA 24 -7.923 -18.925 -0.825 146 H PHE 25 H PHE 25 -10.339 -19.391 -1.293 147 HA PHE 25 HA PHE 25 -10.463 -22.232 -0.544 148 HB2 PHE 25 1HB PHE 25 -12.693 -20.737 -1.935 149 HB3 PHE 25 2HB PHE 25 -12.710 -22.420 -1.418 150 HD1 PHE 25 1HD PHE 25 -12.195 -22.734 1.178 151 HD2 PHE 25 2HD PHE 25 -13.772 -19.210 -0.614 152 HE1 PHE 25 1HE PHE 25 -13.142 -22.059 3.346 153 HE2 PHE 25 2HE PHE 25 -14.720 -18.529 1.551 154 HZ PHE 25 HZ PHE 25 -14.405 -19.954 3.535 155 H VAL 26 H VAL 26 -9.811 -23.608 -2.084 156 HA VAL 26 HA VAL 26 -8.447 -22.774 -4.351 157 HB VAL 26 HB VAL 26 -9.762 -25.456 -3.894 158 HG11 VAL 26 1HG1 VAL 26 -8.392 -26.345 -5.578 159 HG12 VAL 26 2HG1 VAL 26 -9.031 -24.850 -6.263 160 HG13 VAL 26 3HG1 VAL 26 -7.382 -24.901 -5.639 161 HG21 VAL 26 3HG2 VAL 26 -7.383 -26.072 -3.229 162 HG22 VAL 26 1HG2 VAL 26 -7.083 -24.338 -3.119 163 HG23 VAL 26 2HG2 VAL 26 -8.299 -25.090 -2.086 164 H GLY 27 H GLY 27 -8.946 -22.541 -6.495 165 HA2 GLY 27 1HA GLY 27 -10.245 -22.451 -8.411 166 HA3 GLY 27 2HA GLY 27 -11.531 -23.270 -7.536 167 H GLN 28 H GLN 28 -12.132 -21.630 -5.501 168 HA GLN 28 HA GLN 28 -13.744 -19.679 -6.655 169 HB2 GLN 28 1HB GLN 28 -12.723 -20.004 -3.837 170 HB3 GLN 28 2HB GLN 28 -13.865 -18.745 -4.288 171 HG2 GLN 28 1HG GLN 28 -15.325 -20.622 -5.194 172 HG3 GLN 28 2HG GLN 28 -14.258 -21.716 -4.315 173 HE21 GLN 28 1HE2 GLN 28 -15.759 -22.411 -2.857 174 HE22 GLN 28 2HE2 GLN 28 -16.447 -21.396 -1.640 175 H LYS 29 H LYS 29 -13.576 -17.288 -5.667 176 HA LYS 29 HA LYS 29 -10.861 -16.303 -6.251 177 HB2 LYS 29 1HB LYS 29 -12.558 -15.943 -8.106 178 HB3 LYS 29 2HB LYS 29 -13.400 -14.857 -7.008 179 HG2 LYS 29 1HG LYS 29 -11.421 -13.438 -6.880 180 HG3 LYS 29 2HG LYS 29 -10.562 -14.533 -7.967 181 HD2 LYS 29 1HD LYS 29 -12.603 -14.093 -9.543 182 HD3 LYS 29 2HD LYS 29 -12.809 -12.650 -8.548 183 HE2 LYS 29 1HE LYS 29 -11.469 -11.994 -10.378 184 HE3 LYS 29 2HE LYS 29 -10.373 -12.147 -9.006 185 HZ1 LYS 29 3HZ LYS 29 -10.589 -13.806 -11.406 186 HZ2 LYS 29 1HZ LYS 29 -10.134 -14.565 -9.964 187 HZ3 LYS 29 2HZ LYS 29 -9.211 -13.286 -10.573 188 H SER 30 H SER 30 -10.033 -15.398 -4.495 189 HA SER 30 HA SER 30 -11.816 -14.238 -2.488 190 HB2 SER 30 1HB SER 30 -8.944 -15.138 -2.448 191 HB3 SER 30 2HB SER 30 -9.592 -14.109 -1.170 192 HG SER 30 HG SER 30 -9.711 -16.453 -0.820 193 H SER 31 H SER 31 -11.927 -12.114 -2.060 194 HA SER 31 HA SER 31 -9.950 -10.330 -3.310 195 HB2 SER 31 1HB SER 31 -11.545 -8.994 -4.303 196 HB3 SER 31 2HB SER 31 -12.344 -10.561 -4.427 197 HG SER 31 HG SER 31 -13.467 -10.028 -2.488 198 H PHE 32 H PHE 32 -9.592 -8.347 -2.244 199 HA PHE 32 HA PHE 32 -10.900 -7.900 0.316 200 HB2 PHE 32 1HB PHE 32 -8.777 -7.764 1.544 201 HB3 PHE 32 2HB PHE 32 -9.031 -9.378 0.889 202 HD1 PHE 32 1HD PHE 32 -7.116 -6.260 0.535 203 HD2 PHE 32 2HD PHE 32 -7.566 -10.293 -0.749 204 HE1 PHE 32 1HE PHE 32 -4.916 -6.152 -0.563 205 HE2 PHE 32 2HE PHE 32 -5.367 -10.192 -1.848 206 HZ PHE 32 HZ PHE 32 -4.039 -8.121 -1.755 207 H LEU 33 H LEU 33 -11.048 -5.782 0.830 208 HA LEU 33 HA LEU 33 -9.817 -3.883 -1.038 209 HB2 LEU 33 1HB LEU 33 -12.347 -4.018 -0.610 210 HB3 LEU 33 2HB LEU 33 -11.988 -3.243 0.932 211 HG LEU 33 HG LEU 33 -12.777 -1.712 -0.896 212 HD11 LEU 33 1HD1 LEU 33 -11.013 -1.288 1.119 213 HD12 LEU 33 2HD1 LEU 33 -11.665 -0.024 0.076 214 HD13 LEU 33 3HD1 LEU 33 -10.085 -0.726 -0.272 215 HD21 LEU 33 3HD2 LEU 33 -11.119 -3.045 -2.521 216 HD22 LEU 33 1HD2 LEU 33 -10.061 -1.709 -2.064 217 HD23 LEU 33 2HD2 LEU 33 -11.623 -1.380 -2.815 218 H VAL 34 H VAL 34 -8.627 -2.134 -0.339 219 HA VAL 34 HA VAL 34 -7.928 -2.100 2.525 220 HB VAL 34 HB VAL 34 -6.032 -1.455 0.266 221 HG11 VAL 34 1HG1 VAL 34 -5.447 -1.979 3.174 222 HG12 VAL 34 2HG1 VAL 34 -4.331 -1.396 1.938 223 HG13 VAL 34 3HG1 VAL 34 -5.654 -0.367 2.490 224 HG21 VAL 34 3HG2 VAL 34 -6.593 -4.009 1.706 225 HG22 VAL 34 1HG2 VAL 34 -6.255 -3.731 -0.002 226 HG23 VAL 34 2HG2 VAL 34 -4.948 -3.652 1.180 227 H ASP 35 H ASP 35 -8.644 -0.292 3.424 228 HA ASP 35 HA ASP 35 -9.022 2.102 1.807 229 HB2 ASP 35 1HB ASP 35 -10.865 1.512 3.245 230 HB3 ASP 35 2HB ASP 35 -9.804 1.431 4.649 231 H CYS 36 H CYS 36 -7.545 3.647 1.702 232 HA CYS 36 HA CYS 36 -5.660 3.947 3.947 233 HB2 CYS 36 1HB CYS 36 -3.873 4.349 2.468 234 HB3 CYS 36 2HB CYS 36 -4.725 2.981 1.763 235 HG CYS 36 HG CYS 36 -5.610 4.172 -0.417 236 H SER 37 H SER 37 -8.121 5.316 3.739 237 HA SER 37 HA SER 37 -7.934 7.853 2.555 238 HB2 SER 37 1HB SER 37 -10.093 7.134 3.219 239 HB3 SER 37 2HB SER 37 -9.562 6.802 4.868 240 HG SER 37 HG SER 37 -9.270 9.061 5.133 241 H LYS 38 H LYS 38 -7.454 6.933 5.967 242 HA LYS 38 HA LYS 38 -5.978 9.440 6.368 243 HB2 LYS 38 1HB LYS 38 -6.316 9.044 8.772 244 HB3 LYS 38 2HB LYS 38 -7.842 9.094 7.898 245 HG2 LYS 38 1HG LYS 38 -7.684 6.546 7.834 246 HG3 LYS 38 2HG LYS 38 -6.429 6.721 9.062 247 HD2 LYS 38 1HD LYS 38 -8.281 6.478 10.393 248 HD3 LYS 38 2HD LYS 38 -8.240 8.235 10.226 249 HE2 LYS 38 1HE LYS 38 -9.872 6.392 8.485 250 HE3 LYS 38 2HE LYS 38 -10.497 7.232 9.903 251 HZ1 LYS 38 3HZ LYS 38 -11.069 8.643 8.197 252 HZ2 LYS 38 1HZ LYS 38 -9.660 8.344 7.310 253 HZ3 LYS 38 2HZ LYS 38 -9.598 9.314 8.694 254 H ALA 39 H ALA 39 -4.803 7.189 5.005 255 HA ALA 39 HA ALA 39 -2.869 6.166 6.957 256 HB1 ALA 39 3HB ALA 39 -3.949 5.189 4.411 257 HB2 ALA 39 1HB ALA 39 -2.216 4.940 4.624 258 HB3 ALA 39 2HB ALA 39 -3.352 4.298 5.811 259 H GLY 40 H GLY 40 -2.918 7.644 3.708 260 HA2 GLY 40 1HA GLY 40 -1.106 9.631 4.048 261 HA3 GLY 40 2HA GLY 40 -0.090 8.215 3.821 262 H SER 41 H SER 41 0.549 9.720 1.970 263 HA SER 41 HA SER 41 -1.239 9.322 -0.334 264 HB2 SER 41 1HB SER 41 -0.024 11.174 -1.404 265 HB3 SER 41 2HB SER 41 -0.702 11.673 0.146 266 HG SER 41 HG SER 41 1.979 11.146 -0.536 267 H ASN 42 H ASN 42 0.568 7.305 0.766 268 HA ASN 42 HA ASN 42 2.733 7.123 -1.162 269 HB2 ASN 42 1HB ASN 42 2.666 6.372 1.393 270 HB3 ASN 42 2HB ASN 42 2.083 4.871 0.679 271 HD21 ASN 42 1HD2 ASN 42 4.776 6.748 1.418 272 HD22 ASN 42 2HD2 ASN 42 5.968 5.819 0.580 273 H MET 43 H MET 43 2.998 4.608 -1.873 274 HA MET 43 HA MET 43 0.541 4.027 -3.379 275 HB2 MET 43 1HB MET 43 1.942 2.939 -5.023 276 HB3 MET 43 2HB MET 43 2.565 4.553 -4.711 277 HG2 MET 43 1HG MET 43 4.458 3.783 -3.705 278 HG3 MET 43 2HG MET 43 3.693 2.296 -3.152 279 HE1 MET 43 3HE MET 43 2.882 0.574 -4.528 280 HE2 MET 43 1HE MET 43 3.396 0.135 -6.158 281 HE3 MET 43 2HE MET 43 4.445 -0.206 -4.782 282 H LEU 44 H LEU 44 -0.329 1.979 -3.415 283 HA LEU 44 HA LEU 44 0.573 0.209 -1.266 284 HB2 LEU 44 1HB LEU 44 -1.831 1.037 -1.516 285 HB3 LEU 44 2HB LEU 44 -1.947 -0.079 -2.874 286 HG LEU 44 HG LEU 44 -1.122 -1.817 -1.059 287 HD11 LEU 44 1HD1 LEU 44 -2.011 0.539 0.492 288 HD12 LEU 44 2HD1 LEU 44 -0.843 -0.718 0.900 289 HD13 LEU 44 3HD1 LEU 44 -2.571 -1.040 1.043 290 HD21 LEU 44 3HD2 LEU 44 -3.124 -2.265 -2.139 291 HD22 LEU 44 1HD2 LEU 44 -3.870 -0.761 -1.600 292 HD23 LEU 44 2HD2 LEU 44 -3.625 -2.082 -0.458 293 H LEU 45 H LEU 45 1.225 -1.867 -1.595 294 HA LEU 45 HA LEU 45 1.113 -2.971 -4.302 295 HB2 LEU 45 1HB LEU 45 3.433 -3.540 -4.330 296 HB3 LEU 45 2HB LEU 45 3.281 -1.809 -4.036 297 HG LEU 45 HG LEU 45 3.493 -2.624 -1.508 298 HD11 LEU 45 1HD1 LEU 45 3.934 -4.807 -1.387 299 HD12 LEU 45 2HD1 LEU 45 5.540 -4.392 -1.984 300 HD13 LEU 45 3HD1 LEU 45 4.291 -4.920 -3.111 301 HD21 LEU 45 3HD2 LEU 45 5.739 -2.193 -3.470 302 HD22 LEU 45 1HD2 LEU 45 5.939 -2.199 -1.718 303 HD23 LEU 45 2HD2 LEU 45 4.926 -0.975 -2.485 304 H ILE 46 H ILE 46 1.827 -5.303 -4.314 305 HA ILE 46 HA ILE 46 1.208 -6.615 -1.752 306 HB ILE 46 HB ILE 46 0.308 -7.705 -4.411 307 HG12 ILE 46 1HG1 ILE 46 -0.716 -5.441 -3.809 308 HG13 ILE 46 2HG1 ILE 46 -1.840 -6.763 -4.108 309 HG21 ILE 46 1HG2 ILE 46 -0.546 -8.316 -1.584 310 HG22 ILE 46 2HG2 ILE 46 -1.142 -9.102 -3.045 311 HG23 ILE 46 3HG2 ILE 46 0.543 -9.299 -2.563 312 HD11 ILE 46 3HD1 ILE 46 -2.447 -5.364 -2.172 313 HD12 ILE 46 1HD1 ILE 46 -2.195 -7.059 -1.755 314 HD13 ILE 46 2HD1 ILE 46 -0.953 -5.863 -1.380 315 H GLY 47 H GLY 47 2.287 -8.529 -1.313 316 HA2 GLY 47 1HA GLY 47 4.317 -9.363 -3.285 317 HA3 GLY 47 2HA GLY 47 4.758 -9.080 -1.608 318 H VAL 48 H VAL 48 2.059 -10.784 -3.197 319 HA VAL 48 HA VAL 48 1.569 -12.725 -1.373 320 HB VAL 48 HB VAL 48 0.992 -14.248 -3.314 321 HG11 VAL 48 1HG1 VAL 48 -0.162 -11.740 -2.510 322 HG12 VAL 48 2HG1 VAL 48 -0.517 -12.068 -4.207 323 HG13 VAL 48 3HG1 VAL 48 -0.960 -13.244 -2.969 324 HG21 VAL 48 3HG2 VAL 48 2.319 -13.751 -5.103 325 HG22 VAL 48 1HG2 VAL 48 0.917 -12.759 -5.503 326 HG23 VAL 48 2HG2 VAL 48 2.333 -12.022 -4.754 327 H HIS 49 H HIS 49 2.815 -14.135 -0.352 328 HA HIS 49 HA HIS 49 5.367 -14.932 -1.486 329 HB2 HIS 49 1HB HIS 49 4.857 -14.280 0.993 330 HB3 HIS 49 2HB HIS 49 4.306 -15.947 1.129 331 HD1 HIS 49 1HD HIS 49 7.185 -14.031 1.745 332 HD2 HIS 49 2HD HIS 49 6.532 -17.740 -0.010 333 HE1 HIS 49 1HE HIS 49 9.392 -15.230 1.865 334 H GLY 50 H GLY 50 5.953 -16.999 -2.058 335 HA2 GLY 50 1HA GLY 50 3.714 -18.907 -2.312 336 HA3 GLY 50 2HA GLY 50 5.070 -18.810 -3.426 337 HA PRO 51 HA PRO 51 6.866 -20.785 0.601 338 HB2 PRO 51 1HB PRO 51 5.103 -21.362 2.582 339 HB3 PRO 51 2HB PRO 51 5.949 -19.814 2.470 340 HG2 PRO 51 1HG PRO 51 3.163 -20.516 1.628 341 HG3 PRO 51 2HG PRO 51 3.745 -19.072 2.478 342 HD2 PRO 51 1HD PRO 51 3.218 -19.086 -0.178 343 HD3 PRO 51 2HD PRO 51 4.492 -18.077 0.538 344 H THR 52 H THR 52 3.682 -21.678 -0.544 345 HA THR 52 HA THR 52 4.506 -24.507 -0.489 346 HB THR 52 HB THR 52 2.727 -24.188 1.139 347 HG1 THR 52 1HG THR 52 1.072 -25.536 -0.113 348 HG21 THR 52 3HG2 THR 52 0.847 -23.354 -1.040 349 HG22 THR 52 1HG2 THR 52 1.805 -22.150 -0.180 350 HG23 THR 52 2HG2 THR 52 0.678 -23.178 0.706 351 H THR 53 H THR 53 2.250 -22.234 -2.055 352 HA THR 53 HA THR 53 3.041 -23.241 -4.661 353 HB THR 53 HB THR 53 0.160 -23.390 -3.751 354 HG1 THR 53 1HG THR 53 2.140 -25.347 -4.313 355 HG21 THR 53 3HG2 THR 53 1.190 -24.366 -6.389 356 HG22 THR 53 1HG2 THR 53 0.737 -22.674 -6.185 357 HG23 THR 53 2HG2 THR 53 -0.457 -23.944 -5.920 358 HA PRO 54 HA PRO 54 2.486 -18.965 -5.601 359 HB2 PRO 54 1HB PRO 54 2.567 -19.152 -8.308 360 HB3 PRO 54 2HB PRO 54 4.005 -19.304 -7.292 361 HG2 PRO 54 1HG PRO 54 2.333 -21.450 -8.541 362 HG3 PRO 54 2HG PRO 54 4.098 -21.328 -8.432 363 HD2 PRO 54 1HD PRO 54 2.640 -22.890 -6.769 364 HD3 PRO 54 2HD PRO 54 4.143 -22.094 -6.259 365 H CYS 55 H CYS 55 0.992 -17.516 -6.629 366 HA CYS 55 HA CYS 55 -1.691 -18.631 -6.774 367 HB2 CYS 55 1HB CYS 55 -2.464 -16.337 -6.657 368 HB3 CYS 55 2HB CYS 55 -1.243 -16.600 -5.418 369 HG CYS 55 HG CYS 55 -0.978 -14.018 -6.524 370 H GLU 56 H GLU 56 -3.146 -18.145 -8.508 371 HA GLU 56 HA GLU 56 -2.054 -18.585 -11.060 372 HB2 GLU 56 1HB GLU 56 -4.797 -17.598 -10.261 373 HB3 GLU 56 2HB GLU 56 -4.359 -18.110 -11.885 374 HG2 GLU 56 1HG GLU 56 -4.623 -19.757 -9.403 375 HG3 GLU 56 2HG GLU 56 -5.415 -19.963 -10.964 376 H GLU 57 H GLU 57 -3.302 -15.648 -9.519 377 HA GLU 57 HA GLU 57 -1.570 -13.950 -10.966 378 HB2 GLU 57 1HB GLU 57 -3.090 -12.819 -12.431 379 HB3 GLU 57 2HB GLU 57 -3.191 -14.539 -12.778 380 HG2 GLU 57 1HG GLU 57 -5.179 -14.431 -11.062 381 HG3 GLU 57 2HG GLU 57 -5.191 -12.732 -11.530 382 H VAL 58 H VAL 58 -2.352 -11.562 -10.715 383 HA VAL 58 HA VAL 58 -3.900 -11.208 -8.254 384 HB VAL 58 HB VAL 58 -1.155 -10.013 -8.667 385 HG11 VAL 58 1HG1 VAL 58 -3.362 -9.161 -7.085 386 HG12 VAL 58 2HG1 VAL 58 -2.088 -9.738 -6.009 387 HG13 VAL 58 3HG1 VAL 58 -1.743 -8.470 -7.185 388 HG21 VAL 58 3HG2 VAL 58 -0.299 -11.511 -7.141 389 HG22 VAL 58 1HG2 VAL 58 -1.874 -11.835 -6.416 390 HG23 VAL 58 2HG2 VAL 58 -1.470 -12.521 -7.990 391 H SER 59 H SER 59 -5.493 -9.896 -8.853 392 HA SER 59 HA SER 59 -4.981 -7.810 -10.841 393 HB2 SER 59 1HB SER 59 -6.985 -9.484 -10.887 394 HB3 SER 59 2HB SER 59 -7.689 -8.402 -9.685 395 HG SER 59 HG SER 59 -7.997 -8.055 -12.129 396 H MET 60 H MET 60 -4.242 -5.973 -9.989 397 HA MET 60 HA MET 60 -5.507 -4.977 -7.521 398 HB2 MET 60 1HB MET 60 -2.754 -4.320 -8.583 399 HB3 MET 60 2HB MET 60 -3.448 -3.753 -7.070 400 HG2 MET 60 1HG MET 60 -3.315 -5.860 -6.080 401 HG3 MET 60 2HG MET 60 -3.112 -6.673 -7.630 402 HE1 MET 60 3HE MET 60 -1.622 -3.966 -5.348 403 HE2 MET 60 1HE MET 60 0.108 -4.018 -5.686 404 HE3 MET 60 2HE MET 60 -1.002 -3.342 -6.877 405 H LYS 61 H LYS 61 -6.736 -3.235 -7.735 406 HA LYS 61 HA LYS 61 -6.070 -1.224 -9.747 407 HB2 LYS 61 1HB LYS 61 -8.530 -2.896 -9.702 408 HB3 LYS 61 2HB LYS 61 -8.720 -1.192 -10.094 409 HG2 LYS 61 1HG LYS 61 -6.642 -2.785 -11.515 410 HG3 LYS 61 2HG LYS 61 -8.337 -2.961 -11.975 411 HD2 LYS 61 1HD LYS 61 -8.288 -0.344 -12.009 412 HD3 LYS 61 2HD LYS 61 -6.547 -0.578 -12.182 413 HE2 LYS 61 1HE LYS 61 -7.279 -0.481 -14.381 414 HE3 LYS 61 2HE LYS 61 -7.188 -2.215 -14.073 415 HZ1 LYS 61 3HZ LYS 61 -9.739 -1.252 -13.354 416 HZ2 LYS 61 1HZ LYS 61 -9.332 -2.404 -14.524 417 HZ3 LYS 61 2HZ LYS 61 -9.388 -0.764 -14.935 418 H HIS 62 H HIS 62 -6.922 0.851 -9.315 419 HA HIS 62 HA HIS 62 -7.671 1.224 -6.504 420 HB2 HIS 62 1HB HIS 62 -5.730 2.484 -7.080 421 HB3 HIS 62 2HB HIS 62 -6.477 3.087 -8.556 422 HD1 HIS 62 1HD HIS 62 -6.936 5.492 -8.290 423 HD2 HIS 62 2HD HIS 62 -7.649 3.396 -4.774 424 HE1 HIS 62 1HE HIS 62 -7.787 7.199 -6.651 425 H VAL 63 H VAL 63 -9.881 0.569 -6.942 426 HA VAL 63 HA VAL 63 -11.657 1.607 -8.731 427 HB VAL 63 HB VAL 63 -13.363 1.455 -6.765 428 HG11 VAL 63 1HG1 VAL 63 -11.990 -0.547 -8.354 429 HG12 VAL 63 2HG1 VAL 63 -12.640 -1.213 -6.855 430 HG13 VAL 63 3HG1 VAL 63 -13.706 -0.378 -7.986 431 HG21 VAL 63 3HG2 VAL 63 -12.695 0.558 -4.765 432 HG22 VAL 63 1HG2 VAL 63 -11.275 -0.221 -5.463 433 HG23 VAL 63 2HG2 VAL 63 -11.269 1.517 -5.164 434 H GLY 64 H GLY 64 -10.246 3.215 -5.981 435 HA2 GLY 64 1HA GLY 64 -10.139 5.685 -6.252 436 HA3 GLY 64 2HA GLY 64 -11.856 5.610 -6.623 437 H ASN 65 H ASN 65 -11.350 7.326 -4.747 438 HA ASN 65 HA ASN 65 -11.798 7.948 -2.606 439 HB2 ASN 65 1HB ASN 65 -13.832 6.427 -3.214 440 HB3 ASN 65 2HB ASN 65 -13.086 5.285 -2.099 441 HD21 ASN 65 1HD2 ASN 65 -15.081 7.970 -2.413 442 HD22 ASN 65 2HD2 ASN 65 -15.223 8.377 -0.740 443 H GLN 66 H GLN 66 -9.366 6.379 -3.252 444 HA GLN 66 HA GLN 66 -7.521 5.676 -2.115 445 HB2 GLN 66 1HB GLN 66 -9.094 6.023 0.435 446 HB3 GLN 66 2HB GLN 66 -7.346 6.024 0.242 447 HG2 GLN 66 1HG GLN 66 -9.239 8.113 -0.813 448 HG3 GLN 66 2HG GLN 66 -8.209 8.267 0.610 449 HE21 GLN 66 1HE2 GLN 66 -8.458 9.388 -2.328 450 HE22 GLN 66 2HE2 GLN 66 -6.802 9.504 -2.805 451 H GLN 67 H GLN 67 -9.801 3.922 -2.906 452 HA GLN 67 HA GLN 67 -9.346 1.688 -1.045 453 HB2 GLN 67 1HB GLN 67 -11.553 1.911 -3.091 454 HB3 GLN 67 2HB GLN 67 -11.422 0.745 -1.781 455 HG2 GLN 67 1HG GLN 67 -11.865 2.393 -0.145 456 HG3 GLN 67 2HG GLN 67 -11.675 3.700 -1.312 457 HE21 GLN 67 1HE2 GLN 67 -13.920 3.191 0.402 458 HE22 GLN 67 2HE2 GLN 67 -15.287 2.929 -0.621 459 H TYR 68 H TYR 68 -8.068 0.103 -1.709 460 HA TYR 68 HA TYR 68 -7.528 -0.155 -4.588 461 HB2 TYR 68 1HB TYR 68 -5.898 -0.949 -2.172 462 HB3 TYR 68 2HB TYR 68 -5.479 -1.413 -3.817 463 HD1 TYR 68 2HD TYR 68 -4.885 0.355 -5.478 464 HD2 TYR 68 1HD TYR 68 -5.420 1.227 -1.348 465 HE1 TYR 68 2HE TYR 68 -3.686 2.482 -5.777 466 HE2 TYR 68 1HE TYR 68 -4.224 3.357 -1.636 467 HH TYR 68 HH TYR 68 -2.681 4.199 -4.688 468 H ASN 69 H ASN 69 -8.566 -1.751 -5.566 469 HA ASN 69 HA ASN 69 -9.587 -4.002 -4.042 470 HB2 ASN 69 1HB ASN 69 -10.793 -2.679 -5.954 471 HB3 ASN 69 2HB ASN 69 -9.869 -3.737 -7.016 472 HD21 ASN 69 1HD2 ASN 69 -9.989 -5.847 -4.872 473 HD22 ASN 69 2HD2 ASN 69 -11.564 -6.537 -5.042 474 H VAL 70 H VAL 70 -8.347 -5.716 -3.703 475 HA VAL 70 HA VAL 70 -6.516 -6.573 -5.850 476 HB VAL 70 HB VAL 70 -6.058 -6.806 -2.872 477 HG11 VAL 70 1HG1 VAL 70 -4.532 -7.830 -5.246 478 HG12 VAL 70 2HG1 VAL 70 -3.755 -7.556 -3.686 479 HG13 VAL 70 3HG1 VAL 70 -5.080 -8.712 -3.821 480 HG21 VAL 70 3HG2 VAL 70 -5.475 -4.635 -3.229 481 HG22 VAL 70 1HG2 VAL 70 -3.969 -5.401 -3.736 482 HG23 VAL 70 2HG2 VAL 70 -5.148 -4.889 -4.943 483 H THR 71 H THR 71 -7.217 -8.401 -6.720 484 HA THR 71 HA THR 71 -8.369 -10.454 -4.947 485 HB THR 71 HB THR 71 -9.221 -10.337 -7.804 486 HG1 THR 71 1HG THR 71 -10.494 -8.646 -7.500 487 HG21 THR 71 3HG2 THR 71 -10.598 -11.111 -5.230 488 HG22 THR 71 1HG2 THR 71 -9.907 -12.217 -6.416 489 HG23 THR 71 2HG2 THR 71 -11.306 -11.230 -6.840 490 H TYR 72 H TYR 72 -7.726 -12.544 -5.271 491 HA TYR 72 HA TYR 72 -5.949 -13.116 -7.532 492 HB2 TYR 72 1HB TYR 72 -4.363 -14.270 -6.027 493 HB3 TYR 72 2HB TYR 72 -4.467 -12.546 -5.687 494 HD1 TYR 72 1HD TYR 72 -5.904 -15.805 -4.569 495 HD2 TYR 72 2HD TYR 72 -4.776 -11.844 -3.499 496 HE1 TYR 72 1HE TYR 72 -6.399 -16.307 -2.212 497 HE2 TYR 72 2HE TYR 72 -5.268 -12.335 -1.140 498 HH TYR 72 HH TYR 72 -6.729 -13.956 0.137 499 H VAL 73 H VAL 73 -5.363 -15.579 -7.437 500 HA VAL 73 HA VAL 73 -7.655 -17.155 -6.510 501 HB VAL 73 HB VAL 73 -6.576 -17.207 -9.332 502 HG11 VAL 73 1HG1 VAL 73 -7.785 -19.280 -7.780 503 HG12 VAL 73 2HG1 VAL 73 -8.882 -18.809 -9.080 504 HG13 VAL 73 3HG1 VAL 73 -7.236 -19.322 -9.456 505 HG21 VAL 73 3HG2 VAL 73 -8.080 -15.419 -9.199 506 HG22 VAL 73 1HG2 VAL 73 -9.054 -16.757 -9.809 507 HG23 VAL 73 2HG2 VAL 73 -9.161 -16.290 -8.111 508 H VAL 74 H VAL 74 -7.099 -19.072 -5.665 509 HA VAL 74 HA VAL 74 -4.298 -19.931 -5.970 510 HB VAL 74 HB VAL 74 -4.577 -21.115 -3.824 511 HG11 VAL 74 1HG1 VAL 74 -4.061 -18.498 -4.206 512 HG12 VAL 74 2HG1 VAL 74 -5.440 -18.390 -3.110 513 HG13 VAL 74 3HG1 VAL 74 -4.000 -19.289 -2.632 514 HG21 VAL 74 3HG2 VAL 74 -6.509 -21.148 -2.594 515 HG22 VAL 74 1HG2 VAL 74 -7.109 -19.643 -3.293 516 HG23 VAL 74 2HG2 VAL 74 -7.182 -21.139 -4.224 517 H LYS 75 H LYS 75 -3.823 -22.104 -6.318 518 HA LYS 75 HA LYS 75 -6.090 -23.715 -7.288 519 HB2 LYS 75 1HB LYS 75 -4.063 -22.926 -8.803 520 HB3 LYS 75 2HB LYS 75 -3.276 -24.322 -8.080 521 HG2 LYS 75 1HG LYS 75 -4.183 -25.143 -10.055 522 HG3 LYS 75 2HG LYS 75 -5.343 -25.638 -8.820 523 HD2 LYS 75 1HD LYS 75 -6.457 -23.325 -9.437 524 HD3 LYS 75 2HD LYS 75 -5.595 -23.578 -10.956 525 HE2 LYS 75 1HE LYS 75 -7.284 -25.747 -9.764 526 HE3 LYS 75 2HE LYS 75 -8.014 -24.460 -10.722 527 HZ1 LYS 75 3HZ LYS 75 -7.580 -26.130 -12.253 528 HZ2 LYS 75 1HZ LYS 75 -6.079 -26.519 -11.576 529 HZ3 LYS 75 2HZ LYS 75 -6.265 -25.085 -12.454 530 H GLU 76 H GLU 76 -3.551 -23.534 -5.004 531 HA GLU 76 HA GLU 76 -3.914 -26.375 -4.314 532 HB2 GLU 76 1HB GLU 76 -1.605 -25.824 -4.895 533 HB3 GLU 76 2HB GLU 76 -1.595 -24.536 -3.699 534 HG2 GLU 76 1HG GLU 76 -2.237 -27.284 -2.784 535 HG3 GLU 76 2HG GLU 76 -0.566 -26.912 -3.204 536 H ARG 77 H ARG 77 -4.070 -26.935 -2.082 537 HA ARG 77 HA ARG 77 -5.145 -24.749 -0.428 538 HB2 ARG 77 1HB ARG 77 -6.494 -26.432 0.713 539 HB3 ARG 77 2HB ARG 77 -6.801 -26.463 -1.018 540 HG2 ARG 77 1HG ARG 77 -4.948 -28.334 -0.968 541 HG3 ARG 77 2HG ARG 77 -5.467 -28.473 0.712 542 HD2 ARG 77 1HD ARG 77 -7.806 -28.714 -0.093 543 HD3 ARG 77 2HD ARG 77 -7.194 -28.722 -1.747 544 HE ARG 77 HE ARG 77 -5.905 -30.700 -0.173 545 HH11 ARG 77 1HH1 ARG 77 -8.885 -29.991 -1.826 546 HH12 ARG 77 2HH1 ARG 77 -9.284 -31.655 -2.096 547 HH21 ARG 77 1HH2 ARG 77 -6.419 -32.895 -0.521 548 HH22 ARG 77 2HH2 ARG 77 -7.881 -33.307 -1.352 549 H GLY 78 H GLY 78 -4.509 -24.548 1.706 550 HA2 GLY 78 1HA GLY 78 -3.251 -26.177 3.416 551 HA3 GLY 78 2HA GLY 78 -1.938 -25.752 2.327 552 H ASP 79 H ASP 79 -0.711 -24.568 3.721 553 HA ASP 79 HA ASP 79 -1.967 -22.325 5.122 554 HB2 ASP 79 1HB ASP 79 0.786 -23.552 5.370 555 HB3 ASP 79 2HB ASP 79 0.243 -22.146 6.282 556 H TYR 80 H TYR 80 -1.955 -20.393 4.204 557 HA TYR 80 HA TYR 80 0.188 -19.758 2.285 558 HB2 TYR 80 1HB TYR 80 -2.718 -19.014 2.367 559 HB3 TYR 80 2HB TYR 80 -1.568 -17.989 1.516 560 HD1 TYR 80 2HD TYR 80 -0.299 -18.909 -0.421 561 HD2 TYR 80 1HD TYR 80 -3.449 -21.080 1.441 562 HE1 TYR 80 2HE TYR 80 -0.455 -20.366 -2.397 563 HE2 TYR 80 1HE TYR 80 -3.613 -22.543 -0.529 564 HH TYR 80 HH TYR 80 -2.945 -22.170 -3.160 565 H VAL 81 H VAL 81 0.752 -17.432 2.143 566 HA VAL 81 HA VAL 81 0.365 -15.975 4.661 567 HB VAL 81 HB VAL 81 3.018 -16.594 3.371 568 HG11 VAL 81 1HG1 VAL 81 2.203 -14.301 5.059 569 HG12 VAL 81 2HG1 VAL 81 3.749 -15.067 5.427 570 HG13 VAL 81 3HG1 VAL 81 3.450 -14.409 3.818 571 HG21 VAL 81 3HG2 VAL 81 1.615 -17.386 5.833 572 HG22 VAL 81 1HG2 VAL 81 2.850 -18.236 4.903 573 HG23 VAL 81 2HG2 VAL 81 3.317 -16.967 6.035 574 H LEU 82 H LEU 82 -0.742 -14.252 3.954 575 HA LEU 82 HA LEU 82 -0.154 -13.024 1.402 576 HB2 LEU 82 1HB LEU 82 -2.438 -13.088 1.929 577 HB3 LEU 82 2HB LEU 82 -2.162 -12.510 3.571 578 HG LEU 82 HG LEU 82 -1.474 -10.301 2.523 579 HD11 LEU 82 1HD1 LEU 82 -2.577 -9.951 0.258 580 HD12 LEU 82 2HD1 LEU 82 -2.593 -11.708 0.118 581 HD13 LEU 82 3HD1 LEU 82 -1.061 -10.851 0.280 582 HD21 LEU 82 3HD2 LEU 82 -4.309 -11.279 2.194 583 HD22 LEU 82 1HD2 LEU 82 -3.809 -9.588 2.218 584 HD23 LEU 82 2HD2 LEU 82 -3.598 -10.590 3.654 585 H ALA 83 H ALA 83 1.518 -11.695 1.209 586 HA ALA 83 HA ALA 83 2.338 -10.071 3.511 587 HB1 ALA 83 3HB ALA 83 4.012 -11.538 2.372 588 HB2 ALA 83 1HB ALA 83 3.852 -10.514 0.945 589 HB3 ALA 83 2HB ALA 83 4.464 -9.835 2.454 590 H VAL 84 H VAL 84 1.406 -8.132 3.572 591 HA VAL 84 HA VAL 84 1.099 -6.647 1.043 592 HB VAL 84 HB VAL 84 -0.535 -6.324 3.564 593 HG11 VAL 84 1HG1 VAL 84 -1.579 -4.558 2.617 594 HG12 VAL 84 2HG1 VAL 84 -0.058 -4.413 1.733 595 HG13 VAL 84 3HG1 VAL 84 -1.441 -5.213 0.985 596 HG21 VAL 84 3HG2 VAL 84 -0.767 -8.173 1.372 597 HG22 VAL 84 1HG2 VAL 84 -1.728 -8.057 2.846 598 HG23 VAL 84 2HG2 VAL 84 -2.168 -7.103 1.429 599 H LYS 85 H LYS 85 2.122 -4.755 0.849 600 HA LYS 85 HA LYS 85 3.277 -3.547 3.276 601 HB2 LYS 85 1HB LYS 85 4.470 -3.840 0.521 602 HB3 LYS 85 2HB LYS 85 5.105 -2.714 1.714 603 HG2 LYS 85 1HG LYS 85 5.533 -4.577 3.241 604 HG3 LYS 85 2HG LYS 85 4.908 -5.703 2.033 605 HD2 LYS 85 1HD LYS 85 7.249 -5.778 1.797 606 HD3 LYS 85 2HD LYS 85 6.683 -4.763 0.469 607 HE2 LYS 85 1HE LYS 85 7.212 -2.764 1.809 608 HE3 LYS 85 2HE LYS 85 7.831 -3.805 3.090 609 HZ1 LYS 85 3HZ LYS 85 8.941 -4.167 0.414 610 HZ2 LYS 85 1HZ LYS 85 9.694 -4.292 1.923 611 HZ3 LYS 85 2HZ LYS 85 9.391 -2.769 1.252 612 H TRP 86 H TRP 86 3.466 -1.259 3.305 613 HA TRP 86 HA TRP 86 1.916 0.166 1.256 614 HB2 TRP 86 1HB TRP 86 0.329 -0.055 2.999 615 HB3 TRP 86 2HB TRP 86 1.531 0.278 4.243 616 HD1 TRP 86 HD TRP 86 1.378 2.634 5.211 617 HE1 TRP 86 1HE TRP 86 0.488 4.912 4.408 618 HE3 TRP 86 3HE TRP 86 -0.024 1.333 0.470 619 HZ2 TRP 86 2HZ TRP 86 -0.658 6.011 2.074 620 HZ3 TRP 86 3HZ TRP 86 -1.009 3.056 -0.984 621 HH2 TRP 86 HH TRP 86 -1.319 5.346 -0.196 622 H GLY 87 H GLY 87 3.737 1.085 0.352 623 HA2 GLY 87 1HA GLY 87 5.436 2.609 0.110 624 HA3 GLY 87 2HA GLY 87 4.666 3.492 1.420 625 H GLU 88 H GLU 88 6.849 0.765 0.784 626 HA GLU 88 HA GLU 88 8.599 -0.090 1.965 627 HB2 GLU 88 1HB GLU 88 8.774 2.831 2.691 628 HB3 GLU 88 2HB GLU 88 9.973 1.657 3.214 629 HG2 GLU 88 1HG GLU 88 10.090 1.081 0.670 630 HG3 GLU 88 2HG GLU 88 9.399 2.691 0.482 631 H GLU 89 H GLU 89 6.110 -0.455 3.180 632 HA GLU 89 HA GLU 89 6.950 -0.850 5.920 633 HB2 GLU 89 1HB GLU 89 4.523 0.832 5.268 634 HB3 GLU 89 2HB GLU 89 4.925 0.224 6.868 635 HG2 GLU 89 1HG GLU 89 7.151 1.470 6.549 636 HG3 GLU 89 2HG GLU 89 6.316 2.317 5.248 637 H HIS 90 H HIS 90 5.019 -1.911 7.170 638 HA HIS 90 HA HIS 90 3.609 -3.741 5.343 639 HB2 HIS 90 1HB HIS 90 5.224 -4.364 7.796 640 HB3 HIS 90 2HB HIS 90 3.905 -5.425 7.311 641 HD1 HIS 90 1HD HIS 90 4.687 -7.317 5.946 642 HD2 HIS 90 2HD HIS 90 7.033 -3.937 5.365 643 HE1 HIS 90 1HE HIS 90 6.463 -8.005 4.303 644 H ILE 91 H ILE 91 1.491 -3.515 5.540 645 HA ILE 91 HA ILE 91 0.164 -1.994 7.424 646 HB ILE 91 HB ILE 91 -1.896 -3.029 6.694 647 HG12 ILE 91 1HG1 ILE 91 -0.297 -5.046 5.128 648 HG13 ILE 91 2HG1 ILE 91 -0.862 -5.383 6.761 649 HG21 ILE 91 1HG2 ILE 91 0.170 -2.526 4.580 650 HG22 ILE 91 2HG2 ILE 91 -1.501 -2.901 4.164 651 HG23 ILE 91 3HG2 ILE 91 -1.133 -1.472 5.130 652 HD11 ILE 91 3HD1 ILE 91 -2.263 -5.597 4.294 653 HD12 ILE 91 1HD1 ILE 91 -2.788 -6.048 5.916 654 HD13 ILE 91 2HD1 ILE 91 -3.073 -4.413 5.319 655 HA PRO 92 HA PRO 92 -0.054 -4.361 11.119 656 HB2 PRO 92 1HB PRO 92 -2.433 -3.509 12.113 657 HB3 PRO 92 2HB PRO 92 -0.981 -2.501 12.099 658 HG2 PRO 92 1HG PRO 92 -3.304 -2.502 10.211 659 HG3 PRO 92 2HG PRO 92 -2.441 -1.126 10.922 660 HD2 PRO 92 1HD PRO 92 -1.985 -1.983 8.395 661 HD3 PRO 92 2HD PRO 92 -0.713 -1.263 9.403 662 H GLY 93 H GLY 93 -0.240 -6.482 10.316 663 HA2 GLY 93 1HA GLY 93 -2.208 -8.104 11.096 664 HA3 GLY 93 2HA GLY 93 -2.875 -7.485 9.593 665 H SER 94 H SER 94 0.115 -7.348 8.721 666 HA SER 94 HA SER 94 0.163 -10.110 7.730 667 HB2 SER 94 1HB SER 94 0.272 -8.814 5.831 668 HB3 SER 94 2HB SER 94 1.106 -7.494 6.650 669 HG SER 94 HG SER 94 2.952 -8.354 6.128 670 HA PRO 95 HA PRO 95 1.795 -11.192 6.434 671 HB2 PRO 95 1HB PRO 95 2.574 -13.706 7.099 672 HB3 PRO 95 2HB PRO 95 3.673 -12.516 6.393 673 HG2 PRO 95 1HG PRO 95 3.333 -13.314 9.258 674 HG3 PRO 95 2HG PRO 95 4.826 -13.022 8.347 675 HD2 PRO 95 1HD PRO 95 3.764 -11.185 10.029 676 HD3 PRO 95 2HD PRO 95 4.662 -10.734 8.565 677 H PHE 96 H PHE 96 -0.233 -11.879 6.157 678 HA PHE 96 HA PHE 96 -1.856 -12.545 8.437 679 HB2 PHE 96 1HB PHE 96 -2.342 -12.062 5.531 680 HB3 PHE 96 2HB PHE 96 -3.559 -12.949 6.443 681 HD1 PHE 96 2HD PHE 96 -1.691 -9.761 6.293 682 HD2 PHE 96 1HD PHE 96 -5.059 -11.837 7.861 683 HE1 PHE 96 2HE PHE 96 -2.611 -7.635 7.120 684 HE2 PHE 96 1HE PHE 96 -5.986 -9.713 8.689 685 HZ PHE 96 HZ PHE 96 -4.761 -7.609 8.321 686 H HIS 97 H HIS 97 -3.126 -14.474 8.643 687 HA HIS 97 HA HIS 97 -1.759 -16.829 7.533 688 HB2 HIS 97 1HB HIS 97 -1.650 -16.825 9.923 689 HB3 HIS 97 2HB HIS 97 -3.366 -16.455 10.062 690 HD1 HIS 97 1HD HIS 97 -4.302 -18.475 11.168 691 HD2 HIS 97 2HD HIS 97 -1.768 -19.446 8.022 692 HE1 HIS 97 1HE HIS 97 -4.479 -20.970 10.907 693 H VAL 98 H VAL 98 -2.827 -17.243 5.658 694 HA VAL 98 HA VAL 98 -5.757 -17.398 5.722 695 HB VAL 98 HB VAL 98 -3.881 -17.470 3.354 696 HG11 VAL 98 1HG1 VAL 98 -5.719 -17.570 1.949 697 HG12 VAL 98 2HG1 VAL 98 -6.182 -18.662 3.256 698 HG13 VAL 98 3HG1 VAL 98 -6.835 -17.024 3.200 699 HG21 VAL 98 3HG2 VAL 98 -4.038 -15.294 4.604 700 HG22 VAL 98 1HG2 VAL 98 -4.530 -15.224 2.912 701 HG23 VAL 98 2HG2 VAL 98 -5.750 -15.258 4.185 702 H THR 99 H THR 99 -6.631 -19.316 6.090 703 HA THR 99 HA THR 99 -5.124 -21.733 5.354 704 HB THR 99 HB THR 99 -7.382 -21.428 7.344 705 HG1 THR 99 1HG THR 99 -4.737 -22.173 7.980 706 HG21 THR 99 3HG2 THR 99 -5.629 -23.840 7.118 707 HG22 THR 99 1HG2 THR 99 -7.014 -23.667 6.041 708 HG23 THR 99 2HG2 THR 99 -7.254 -23.694 7.788 709 H VAL 100 H VAL 100 -5.861 -23.016 3.789 710 HA VAL 100 HA VAL 100 -8.567 -22.514 2.746 711 HB VAL 100 HB VAL 100 -6.208 -23.776 1.342 712 HG11 VAL 100 1HG1 VAL 100 -8.844 -24.177 0.791 713 HG12 VAL 100 2HG1 VAL 100 -8.474 -22.787 -0.233 714 HG13 VAL 100 3HG1 VAL 100 -7.541 -24.276 -0.393 715 HG21 VAL 100 3HG2 VAL 100 -7.453 -21.077 0.847 716 HG22 VAL 100 1HG2 VAL 100 -6.007 -21.328 1.825 717 HG23 VAL 100 2HG2 VAL 100 -5.994 -21.741 0.111 718 HA PRO 101 HA PRO 101 -9.690 -26.524 4.266 719 HB2 PRO 101 1HB PRO 101 -12.099 -26.676 3.024 720 HB3 PRO 101 2HB PRO 101 -11.817 -25.677 4.455 721 HG2 PRO 101 1HG PRO 101 -11.895 -24.876 1.572 722 HG3 PRO 101 2HG PRO 101 -12.599 -24.059 2.979 723 HD2 PRO 101 1HD PRO 101 -10.270 -23.266 1.849 724 HD3 PRO 101 2HD PRO 101 -10.591 -23.104 3.587 Start of MODEL 4 1 H1 GLY 1 H GLY 1 18.771 13.679 -8.896 2 HA2 GLY 1 1HA GLY 1 19.820 11.135 -7.864 3 HA3 GLY 1 2HA GLY 1 20.017 12.708 -7.104 4 H SER 2 H SER 2 19.322 11.122 -5.292 5 HA SER 2 HA SER 2 16.383 11.069 -5.125 6 HB2 SER 2 1HB SER 2 18.416 9.431 -3.592 7 HB3 SER 2 2HB SER 2 16.665 9.316 -3.413 8 HG SER 2 HG SER 2 17.496 7.718 -4.828 9 H SER 3 H SER 3 16.329 13.298 -4.497 10 HA SER 3 HA SER 3 17.325 13.810 -1.774 11 HB2 SER 3 1HB SER 3 17.128 16.215 -2.342 12 HB3 SER 3 2HB SER 3 18.223 15.363 -3.430 13 HG SER 3 HG SER 3 15.815 16.587 -3.950 14 H GLY 4 H GLY 4 15.618 12.942 -0.614 15 HA2 GLY 4 1HA GLY 4 12.895 13.307 -1.150 16 HA3 GLY 4 2HA GLY 4 13.574 12.939 0.429 17 H SER 5 H SER 5 11.362 14.755 -0.466 18 HA SER 5 HA SER 5 12.414 17.316 0.520 19 HB2 SER 5 1HB SER 5 9.815 16.747 -0.926 20 HB3 SER 5 2HB SER 5 10.411 18.339 -0.458 21 HG SER 5 HG SER 5 11.937 16.624 -2.099 22 H SER 6 H SER 6 9.361 15.478 0.724 23 HA SER 6 HA SER 6 9.365 15.493 3.579 24 HB2 SER 6 1HB SER 6 7.789 17.556 2.097 25 HB3 SER 6 2HB SER 6 7.078 16.829 3.538 26 HG SER 6 HG SER 6 9.438 17.386 4.317 27 H GLY 7 H GLY 7 8.561 13.548 3.988 28 HA2 GLY 7 1HA GLY 7 6.109 12.725 2.576 29 HA3 GLY 7 2HA GLY 7 7.473 11.623 2.689 30 H SER 8 H SER 8 4.645 11.560 3.746 31 HA SER 8 HA SER 8 5.343 10.532 6.363 32 HB2 SER 8 1HB SER 8 4.650 13.085 6.447 33 HB3 SER 8 2HB SER 8 3.022 12.417 6.335 34 HG SER 8 HG SER 8 4.774 11.282 8.187 35 H SER 9 H SER 9 4.556 8.540 6.182 36 HA SER 9 HA SER 9 1.720 8.194 5.633 37 HB2 SER 9 1HB SER 9 3.879 6.817 4.020 38 HB3 SER 9 2HB SER 9 2.180 6.343 4.012 39 HG SER 9 HG SER 9 3.092 7.943 2.360 40 H ASP 10 H ASP 10 0.865 6.770 6.999 41 HA ASP 10 HA ASP 10 2.690 4.949 8.423 42 HB2 ASP 10 1HB ASP 10 0.323 6.533 9.289 43 HB3 ASP 10 2HB ASP 10 0.569 4.961 10.045 44 H ALA 11 H ALA 11 2.277 2.801 8.474 45 HA ALA 11 HA ALA 11 0.288 1.793 6.629 46 HB1 ALA 11 3HB ALA 11 1.351 -0.327 6.876 47 HB2 ALA 11 1HB ALA 11 2.618 0.894 6.757 48 HB3 ALA 11 2HB ALA 11 2.201 0.203 8.326 49 H SER 12 H SER 12 0.890 1.790 10.099 50 HA SER 12 HA SER 12 -0.896 -0.087 10.996 51 HB2 SER 12 1HB SER 12 -0.293 2.622 12.207 52 HB3 SER 12 2HB SER 12 -1.106 1.305 13.053 53 HG SER 12 HG SER 12 1.449 1.016 11.870 54 H LYS 13 H LYS 13 -1.566 3.036 9.617 55 HA LYS 13 HA LYS 13 -4.307 3.135 10.460 56 HB2 LYS 13 1HB LYS 13 -2.919 4.684 8.265 57 HB3 LYS 13 2HB LYS 13 -4.481 5.068 8.977 58 HG2 LYS 13 1HG LYS 13 -1.892 5.019 10.511 59 HG3 LYS 13 2HG LYS 13 -2.605 6.470 9.803 60 HD2 LYS 13 1HD LYS 13 -4.297 4.789 11.583 61 HD3 LYS 13 2HD LYS 13 -3.048 5.796 12.321 62 HE2 LYS 13 1HE LYS 13 -4.829 7.036 10.291 63 HE3 LYS 13 2HE LYS 13 -5.504 6.694 11.883 64 HZ1 LYS 13 3HZ LYS 13 -2.937 7.949 12.030 65 HZ2 LYS 13 1HZ LYS 13 -4.394 8.386 12.770 66 HZ3 LYS 13 2HZ LYS 13 -4.060 8.899 11.194 67 H VAL 14 H VAL 14 -2.585 2.176 7.531 68 HA VAL 14 HA VAL 14 -4.733 1.847 5.802 69 HB VAL 14 HB VAL 14 -2.148 0.306 5.990 70 HG11 VAL 14 1HG1 VAL 14 -3.130 -1.213 4.671 71 HG12 VAL 14 2HG1 VAL 14 -4.503 -0.161 4.323 72 HG13 VAL 14 3HG1 VAL 14 -3.003 0.014 3.411 73 HG21 VAL 14 3HG2 VAL 14 -1.770 1.685 3.838 74 HG22 VAL 14 1HG2 VAL 14 -3.096 2.683 4.436 75 HG23 VAL 14 2HG2 VAL 14 -1.631 2.495 5.399 76 H THR 15 H THR 15 -6.516 0.694 6.078 77 HA THR 15 HA THR 15 -6.391 -1.777 7.664 78 HB THR 15 HB THR 15 -8.856 -1.588 7.823 79 HG1 THR 15 1HG THR 15 -9.507 -0.405 6.112 80 HG21 THR 15 3HG2 THR 15 -8.445 0.993 8.865 81 HG22 THR 15 1HG2 THR 15 -6.905 0.149 9.015 82 HG23 THR 15 2HG2 THR 15 -8.362 -0.542 9.728 83 H SER 16 H SER 16 -7.642 -3.625 6.947 84 HA SER 16 HA SER 16 -8.238 -3.702 4.081 85 HB2 SER 16 1HB SER 16 -7.043 -5.901 3.904 86 HB3 SER 16 2HB SER 16 -5.972 -4.528 4.186 87 HG SER 16 HG SER 16 -6.451 -5.256 6.549 88 H LYS 17 H LYS 17 -10.028 -4.826 3.609 89 HA LYS 17 HA LYS 17 -11.129 -6.614 5.676 90 HB2 LYS 17 1HB LYS 17 -13.381 -5.831 5.084 91 HB3 LYS 17 2HB LYS 17 -12.378 -4.517 5.684 92 HG2 LYS 17 1HG LYS 17 -11.901 -4.182 3.107 93 HG3 LYS 17 2HG LYS 17 -13.462 -4.993 2.964 94 HD2 LYS 17 1HD LYS 17 -14.311 -3.295 4.666 95 HD3 LYS 17 2HD LYS 17 -12.816 -2.409 4.359 96 HE2 LYS 17 1HE LYS 17 -14.527 -1.495 2.958 97 HE3 LYS 17 2HE LYS 17 -13.404 -2.393 1.938 98 HZ1 LYS 17 3HZ LYS 17 -16.105 -2.687 1.971 99 HZ2 LYS 17 1HZ LYS 17 -15.574 -4.005 2.889 100 HZ3 LYS 17 2HZ LYS 17 -15.003 -3.788 1.312 101 H GLY 18 H GLY 18 -12.420 -8.361 4.921 102 HA2 GLY 18 1HA GLY 18 -13.431 -9.291 2.770 103 HA3 GLY 18 2HA GLY 18 -11.807 -9.090 2.129 104 H ALA 19 H ALA 19 -13.207 -11.542 2.200 105 HA ALA 19 HA ALA 19 -12.397 -13.133 4.417 106 HB1 ALA 19 3HB ALA 19 -12.838 -14.627 1.970 107 HB2 ALA 19 1HB ALA 19 -13.721 -14.669 3.496 108 HB3 ALA 19 2HB ALA 19 -14.119 -13.456 2.279 109 H GLY 20 H GLY 20 -11.191 -12.868 1.070 110 HA2 GLY 20 1HA GLY 20 -9.214 -14.671 0.933 111 HA3 GLY 20 2HA GLY 20 -8.996 -13.036 0.327 112 H LEU 21 H LEU 21 -9.125 -11.793 2.946 113 HA LEU 21 HA LEU 21 -6.372 -12.037 3.650 114 HB2 LEU 21 1HB LEU 21 -8.588 -10.599 5.102 115 HB3 LEU 21 2HB LEU 21 -6.858 -10.367 5.348 116 HG LEU 21 HG LEU 21 -8.085 -9.841 2.668 117 HD11 LEU 21 1HD1 LEU 21 -8.014 -7.920 4.990 118 HD12 LEU 21 2HD1 LEU 21 -9.459 -8.599 4.240 119 HD13 LEU 21 3HD1 LEU 21 -8.421 -7.507 3.324 120 HD21 LEU 21 3HD2 LEU 21 -6.097 -7.989 3.411 121 HD22 LEU 21 1HD2 LEU 21 -5.988 -9.279 2.213 122 HD23 LEU 21 2HD2 LEU 21 -5.511 -9.584 3.884 123 H SER 22 H SER 22 -9.415 -13.017 5.167 124 HA SER 22 HA SER 22 -8.098 -14.123 7.476 125 HB2 SER 22 1HB SER 22 -10.435 -13.160 7.483 126 HB3 SER 22 2HB SER 22 -10.951 -14.590 6.591 127 HG SER 22 HG SER 22 -9.785 -14.514 9.178 128 H LYS 23 H LYS 23 -9.944 -15.508 4.760 129 HA LYS 23 HA LYS 23 -8.191 -17.819 4.735 130 HB2 LYS 23 1HB LYS 23 -10.092 -19.419 4.849 131 HB3 LYS 23 2HB LYS 23 -9.823 -18.548 6.353 132 HG2 LYS 23 1HG LYS 23 -11.718 -17.200 6.039 133 HG3 LYS 23 2HG LYS 23 -11.859 -17.654 4.339 134 HD2 LYS 23 1HD LYS 23 -13.496 -18.973 5.249 135 HD3 LYS 23 2HD LYS 23 -12.118 -20.071 5.354 136 HE2 LYS 23 1HE LYS 23 -12.658 -18.230 7.631 137 HE3 LYS 23 2HE LYS 23 -13.695 -19.640 7.424 138 HZ1 LYS 23 3HZ LYS 23 -11.525 -19.779 8.839 139 HZ2 LYS 23 1HZ LYS 23 -10.787 -20.007 7.334 140 HZ3 LYS 23 2HZ LYS 23 -11.990 -21.075 7.856 141 H ALA 24 H ALA 24 -8.528 -19.186 2.850 142 HA ALA 24 HA ALA 24 -10.066 -17.895 0.701 143 HB1 ALA 24 3HB ALA 24 -7.391 -17.629 0.816 144 HB2 ALA 24 1HB ALA 24 -7.513 -19.131 -0.100 145 HB3 ALA 24 2HB ALA 24 -8.306 -17.671 -0.691 146 H PHE 25 H PHE 25 -10.493 -19.331 -1.142 147 HA PHE 25 HA PHE 25 -10.567 -22.165 -0.338 148 HB2 PHE 25 1HB PHE 25 -12.685 -20.493 -1.681 149 HB3 PHE 25 2HB PHE 25 -12.705 -22.252 -1.741 150 HD1 PHE 25 2HD PHE 25 -12.277 -19.567 0.819 151 HD2 PHE 25 1HD PHE 25 -14.042 -23.301 -0.211 152 HE1 PHE 25 2HE PHE 25 -13.422 -19.623 2.996 153 HE2 PHE 25 1HE PHE 25 -15.191 -23.362 1.964 154 HZ PHE 25 HZ PHE 25 -14.881 -21.522 3.571 155 H VAL 26 H VAL 26 -9.991 -23.666 -1.832 156 HA VAL 26 HA VAL 26 -8.293 -23.025 -3.913 157 HB VAL 26 HB VAL 26 -10.002 -25.496 -3.605 158 HG11 VAL 26 1HG1 VAL 26 -8.501 -26.588 -5.148 159 HG12 VAL 26 2HG1 VAL 26 -9.205 -25.168 -5.924 160 HG13 VAL 26 3HG1 VAL 26 -7.550 -25.113 -5.318 161 HG21 VAL 26 3HG2 VAL 26 -7.537 -26.297 -2.977 162 HG22 VAL 26 1HG2 VAL 26 -7.405 -24.606 -2.494 163 HG23 VAL 26 2HG2 VAL 26 -8.650 -25.632 -1.782 164 H GLY 27 H GLY 27 -8.558 -22.246 -5.902 165 HA2 GLY 27 1HA GLY 27 -9.535 -21.937 -7.992 166 HA3 GLY 27 2HA GLY 27 -10.938 -22.842 -7.440 167 H GLN 28 H GLN 28 -11.832 -21.466 -5.308 168 HA GLN 28 HA GLN 28 -13.344 -19.427 -6.360 169 HB2 GLN 28 1HB GLN 28 -12.430 -19.612 -3.485 170 HB3 GLN 28 2HB GLN 28 -13.858 -18.773 -4.078 171 HG2 GLN 28 1HG GLN 28 -14.712 -20.983 -4.882 172 HG3 GLN 28 2HG GLN 28 -13.361 -21.737 -4.037 173 HE21 GLN 28 1HE2 GLN 28 -15.160 -22.837 -2.932 174 HE22 GLN 28 2HE2 GLN 28 -15.856 -22.075 -1.547 175 H LYS 29 H LYS 29 -13.145 -17.264 -6.644 176 HA LYS 29 HA LYS 29 -10.465 -16.165 -6.524 177 HB2 LYS 29 1HB LYS 29 -12.279 -15.881 -8.404 178 HB3 LYS 29 2HB LYS 29 -12.860 -14.582 -7.371 179 HG2 LYS 29 1HG LYS 29 -10.415 -13.759 -7.419 180 HG3 LYS 29 2HG LYS 29 -10.258 -14.815 -8.824 181 HD2 LYS 29 1HD LYS 29 -12.551 -12.913 -8.699 182 HD3 LYS 29 2HD LYS 29 -10.947 -12.291 -9.096 183 HE2 LYS 29 1HE LYS 29 -11.744 -12.790 -11.189 184 HE3 LYS 29 2HE LYS 29 -10.927 -14.298 -10.782 185 HZ1 LYS 29 3HZ LYS 29 -13.028 -14.878 -11.638 186 HZ2 LYS 29 1HZ LYS 29 -13.833 -13.729 -10.693 187 HZ3 LYS 29 2HZ LYS 29 -13.148 -15.093 -9.965 188 H SER 30 H SER 30 -9.866 -15.571 -4.518 189 HA SER 30 HA SER 30 -11.725 -14.314 -2.699 190 HB2 SER 30 1HB SER 30 -8.861 -15.193 -2.535 191 HB3 SER 30 2HB SER 30 -9.512 -14.097 -1.316 192 HG SER 30 HG SER 30 -9.763 -16.263 -0.679 193 H SER 31 H SER 31 -11.949 -12.198 -2.307 194 HA SER 31 HA SER 31 -9.998 -10.350 -3.516 195 HB2 SER 31 1HB SER 31 -11.654 -9.027 -4.432 196 HB3 SER 31 2HB SER 31 -12.409 -10.614 -4.577 197 HG SER 31 HG SER 31 -13.708 -8.858 -3.617 198 H PHE 32 H PHE 32 -9.771 -8.298 -2.467 199 HA PHE 32 HA PHE 32 -11.008 -7.875 0.103 200 HB2 PHE 32 1HB PHE 32 -8.904 -7.835 1.375 201 HB3 PHE 32 2HB PHE 32 -9.222 -9.435 0.715 202 HD1 PHE 32 2HD PHE 32 -7.895 -10.294 -1.154 203 HD2 PHE 32 1HD PHE 32 -7.030 -6.541 0.658 204 HE1 PHE 32 2HE PHE 32 -5.673 -10.301 -2.210 205 HE2 PHE 32 1HE PHE 32 -4.806 -6.541 -0.396 206 HZ PHE 32 HZ PHE 32 -4.125 -8.423 -1.831 207 H LEU 33 H LEU 33 -11.092 -5.754 0.602 208 HA LEU 33 HA LEU 33 -9.671 -3.911 -1.191 209 HB2 LEU 33 1HB LEU 33 -12.243 -3.973 -0.952 210 HB3 LEU 33 2HB LEU 33 -11.964 -3.152 0.582 211 HG LEU 33 HG LEU 33 -10.603 -1.487 -0.950 212 HD11 LEU 33 1HD1 LEU 33 -10.702 -2.162 -3.093 213 HD12 LEU 33 2HD1 LEU 33 -12.282 -1.380 -3.058 214 HD13 LEU 33 3HD1 LEU 33 -12.158 -3.124 -2.835 215 HD21 LEU 33 3HD2 LEU 33 -12.251 -0.383 0.110 216 HD22 LEU 33 1HD2 LEU 33 -13.429 -1.668 -0.162 217 HD23 LEU 33 2HD2 LEU 33 -13.079 -0.507 -1.443 218 H VAL 34 H VAL 34 -8.553 -2.136 -0.384 219 HA VAL 34 HA VAL 34 -8.045 -2.165 2.520 220 HB VAL 34 HB VAL 34 -6.040 -1.574 0.338 221 HG11 VAL 34 1HG1 VAL 34 -4.440 -1.183 2.010 222 HG12 VAL 34 2HG1 VAL 34 -5.868 -0.289 2.536 223 HG13 VAL 34 3HG1 VAL 34 -5.475 -1.842 3.275 224 HG21 VAL 34 3HG2 VAL 34 -6.735 -4.008 1.844 225 HG22 VAL 34 1HG2 VAL 34 -5.975 -3.827 0.263 226 HG23 VAL 34 2HG2 VAL 34 -5.012 -3.647 1.730 227 H ASP 35 H ASP 35 -8.501 -0.324 3.520 228 HA ASP 35 HA ASP 35 -9.086 2.052 1.944 229 HB2 ASP 35 1HB ASP 35 -10.737 1.525 3.588 230 HB3 ASP 35 2HB ASP 35 -9.519 1.355 4.849 231 H CYS 36 H CYS 36 -7.617 3.570 1.604 232 HA CYS 36 HA CYS 36 -5.544 4.014 3.645 233 HB2 CYS 36 1HB CYS 36 -5.173 3.986 0.643 234 HB3 CYS 36 2HB CYS 36 -3.952 4.515 1.794 235 HG CYS 36 HG CYS 36 -4.744 1.446 0.817 236 H SER 37 H SER 37 -7.863 5.457 3.650 237 HA SER 37 HA SER 37 -7.616 7.873 2.126 238 HB2 SER 37 1HB SER 37 -9.817 7.025 2.828 239 HB3 SER 37 2HB SER 37 -9.367 7.252 4.518 240 HG SER 37 HG SER 37 -9.689 9.335 4.333 241 H LYS 38 H LYS 38 -7.217 7.050 5.565 242 HA LYS 38 HA LYS 38 -5.701 9.553 5.905 243 HB2 LYS 38 1HB LYS 38 -7.218 7.905 7.935 244 HB3 LYS 38 2HB LYS 38 -6.213 9.291 8.338 245 HG2 LYS 38 1HG LYS 38 -8.578 9.423 6.483 246 HG3 LYS 38 2HG LYS 38 -8.657 9.766 8.213 247 HD2 LYS 38 1HD LYS 38 -7.114 11.599 7.970 248 HD3 LYS 38 2HD LYS 38 -6.844 11.198 6.272 249 HE2 LYS 38 1HE LYS 38 -9.587 11.843 7.295 250 HE3 LYS 38 2HE LYS 38 -8.460 13.124 6.854 251 HZ1 LYS 38 3HZ LYS 38 -10.112 11.680 5.165 252 HZ2 LYS 38 1HZ LYS 38 -8.538 11.166 4.821 253 HZ3 LYS 38 2HZ LYS 38 -8.930 12.808 4.728 254 H ALA 39 H ALA 39 -4.485 7.269 4.789 255 HA ALA 39 HA ALA 39 -2.836 6.206 6.972 256 HB1 ALA 39 3HB ALA 39 -2.697 4.292 5.831 257 HB2 ALA 39 1HB ALA 39 -4.004 4.934 4.834 258 HB3 ALA 39 2HB ALA 39 -2.327 5.121 4.318 259 H GLY 40 H GLY 40 -2.494 7.585 3.700 260 HA2 GLY 40 1HA GLY 40 -0.585 9.459 4.189 261 HA3 GLY 40 2HA GLY 40 0.341 7.974 4.032 262 H SER 41 H SER 41 0.973 9.840 2.281 263 HA SER 41 HA SER 41 -0.590 9.440 -0.153 264 HB2 SER 41 1HB SER 41 1.742 11.270 0.458 265 HB3 SER 41 2HB SER 41 0.935 11.178 -1.107 266 HG SER 41 HG SER 41 -0.305 12.654 -0.254 267 H ASN 42 H ASN 42 0.748 7.167 0.799 268 HA ASN 42 HA ASN 42 3.062 6.876 -0.978 269 HB2 ASN 42 1HB ASN 42 2.135 5.492 1.491 270 HB3 ASN 42 2HB ASN 42 3.050 4.545 0.322 271 HD21 ASN 42 1HD2 ASN 42 4.152 4.804 2.703 272 HD22 ASN 42 2HD2 ASN 42 5.472 5.919 2.681 273 H MET 43 H MET 43 3.221 4.516 -1.880 274 HA MET 43 HA MET 43 0.737 4.052 -3.360 275 HB2 MET 43 1HB MET 43 2.066 2.944 -5.012 276 HB3 MET 43 2HB MET 43 2.883 4.445 -4.596 277 HG2 MET 43 1HG MET 43 4.617 2.936 -4.662 278 HG3 MET 43 2HG MET 43 4.224 2.984 -2.945 279 HE1 MET 43 3HE MET 43 4.027 1.118 -6.268 280 HE2 MET 43 1HE MET 43 3.294 -0.437 -5.873 281 HE3 MET 43 2HE MET 43 2.301 1.020 -5.916 282 H LEU 44 H LEU 44 -0.170 1.987 -3.569 283 HA LEU 44 HA LEU 44 0.466 0.191 -1.344 284 HB2 LEU 44 1HB LEU 44 -1.883 1.143 -1.859 285 HB3 LEU 44 2HB LEU 44 -1.919 -0.071 -3.136 286 HG LEU 44 HG LEU 44 -1.347 -1.714 -1.177 287 HD11 LEU 44 1HD1 LEU 44 -1.040 -0.445 0.696 288 HD12 LEU 44 2HD1 LEU 44 -2.766 -0.779 0.835 289 HD13 LEU 44 3HD1 LEU 44 -2.216 0.773 0.202 290 HD21 LEU 44 3HD2 LEU 44 -3.326 -2.217 -2.167 291 HD22 LEU 44 1HD2 LEU 44 -3.918 -0.558 -2.084 292 HD23 LEU 44 2HD2 LEU 44 -3.958 -1.581 -0.648 293 H LEU 45 H LEU 45 1.276 -1.797 -1.641 294 HA LEU 45 HA LEU 45 1.199 -2.989 -4.315 295 HB2 LEU 45 1HB LEU 45 3.510 -3.458 -4.363 296 HB3 LEU 45 2HB LEU 45 3.354 -1.749 -3.963 297 HG LEU 45 HG LEU 45 3.557 -2.719 -1.490 298 HD11 LEU 45 1HD1 LEU 45 4.651 -4.827 -3.280 299 HD12 LEU 45 2HD1 LEU 45 3.815 -4.976 -1.734 300 HD13 LEU 45 3HD1 LEU 45 5.503 -4.465 -1.778 301 HD21 LEU 45 3HD2 LEU 45 6.017 -2.297 -1.681 302 HD22 LEU 45 1HD2 LEU 45 4.996 -1.014 -2.332 303 HD23 LEU 45 2HD2 LEU 45 5.794 -2.145 -3.425 304 H ILE 46 H ILE 46 1.799 -5.303 -4.294 305 HA ILE 46 HA ILE 46 1.215 -6.558 -1.692 306 HB ILE 46 HB ILE 46 0.339 -7.647 -4.365 307 HG12 ILE 46 1HG1 ILE 46 -0.741 -5.431 -3.529 308 HG13 ILE 46 2HG1 ILE 46 -1.787 -6.742 -4.064 309 HG21 ILE 46 1HG2 ILE 46 0.702 -9.278 -2.538 310 HG22 ILE 46 2HG2 ILE 46 -0.488 -8.409 -1.569 311 HG23 ILE 46 3HG2 ILE 46 -0.978 -9.194 -3.070 312 HD11 ILE 46 3HD1 ILE 46 -1.067 -6.495 -1.181 313 HD12 ILE 46 1HD1 ILE 46 -2.324 -5.472 -1.875 314 HD13 ILE 46 2HD1 ILE 46 -2.487 -7.228 -1.925 315 H GLY 47 H GLY 47 2.236 -8.529 -1.240 316 HA2 GLY 47 1HA GLY 47 4.350 -9.338 -3.131 317 HA3 GLY 47 2HA GLY 47 4.728 -9.061 -1.437 318 H VAL 48 H VAL 48 2.350 -10.884 -3.375 319 HA VAL 48 HA VAL 48 1.706 -12.810 -1.501 320 HB VAL 48 HB VAL 48 1.238 -14.313 -3.487 321 HG11 VAL 48 1HG1 VAL 48 -0.712 -13.306 -3.049 322 HG12 VAL 48 2HG1 VAL 48 0.047 -11.730 -2.821 323 HG13 VAL 48 3HG1 VAL 48 -0.344 -12.295 -4.445 324 HG21 VAL 48 3HG2 VAL 48 2.994 -12.541 -4.761 325 HG22 VAL 48 1HG2 VAL 48 2.061 -13.844 -5.498 326 HG23 VAL 48 2HG2 VAL 48 1.401 -12.209 -5.442 327 H HIS 49 H HIS 49 2.815 -14.369 -0.533 328 HA HIS 49 HA HIS 49 5.479 -15.039 -1.500 329 HB2 HIS 49 1HB HIS 49 4.695 -14.555 0.985 330 HB3 HIS 49 2HB HIS 49 4.312 -16.273 0.957 331 HD1 HIS 49 1HD HIS 49 6.912 -14.161 1.973 332 HD2 HIS 49 2HD HIS 49 6.801 -17.720 -0.168 333 HE1 HIS 49 1HE HIS 49 9.221 -15.137 2.170 334 H GLY 50 H GLY 50 6.132 -17.060 -2.150 335 HA2 GLY 50 1HA GLY 50 3.955 -19.006 -2.598 336 HA3 GLY 50 2HA GLY 50 5.314 -18.784 -3.690 337 HA PRO 51 HA PRO 51 7.184 -20.945 0.199 338 HB2 PRO 51 1HB PRO 51 5.459 -21.667 2.168 339 HB3 PRO 51 2HB PRO 51 6.268 -20.096 2.128 340 HG2 PRO 51 1HG PRO 51 3.489 -20.817 1.282 341 HG3 PRO 51 2HG PRO 51 4.049 -19.407 2.200 342 HD2 PRO 51 1HD PRO 51 3.489 -19.293 -0.446 343 HD3 PRO 51 2HD PRO 51 4.748 -18.294 0.307 344 H THR 52 H THR 52 3.942 -21.875 -0.811 345 HA THR 52 HA THR 52 4.873 -24.665 -1.017 346 HB THR 52 HB THR 52 3.210 -24.558 0.736 347 HG1 THR 52 1HG THR 52 1.724 -25.549 -1.439 348 HG21 THR 52 3HG2 THR 52 1.171 -23.497 0.603 349 HG22 THR 52 1HG2 THR 52 1.105 -23.609 -1.155 350 HG23 THR 52 2HG2 THR 52 2.161 -22.425 -0.386 351 H THR 53 H THR 53 2.414 -22.404 -2.268 352 HA THR 53 HA THR 53 3.042 -23.263 -4.982 353 HB THR 53 HB THR 53 0.508 -23.392 -5.442 354 HG1 THR 53 1HG THR 53 0.243 -24.322 -2.820 355 HG21 THR 53 3HG2 THR 53 0.579 -25.699 -5.300 356 HG22 THR 53 1HG2 THR 53 1.441 -25.683 -3.762 357 HG23 THR 53 2HG2 THR 53 2.294 -25.292 -5.256 358 HA PRO 54 HA PRO 54 2.551 -18.912 -5.603 359 HB2 PRO 54 1HB PRO 54 2.630 -18.932 -8.317 360 HB3 PRO 54 2HB PRO 54 4.068 -19.150 -7.313 361 HG2 PRO 54 1HG PRO 54 2.389 -21.211 -8.691 362 HG3 PRO 54 2HG PRO 54 4.155 -21.101 -8.576 363 HD2 PRO 54 1HD PRO 54 2.694 -22.759 -7.011 364 HD3 PRO 54 2HD PRO 54 4.199 -22.000 -6.454 365 H CYS 55 H CYS 55 1.158 -17.428 -6.957 366 HA CYS 55 HA CYS 55 -1.568 -18.509 -7.030 367 HB2 CYS 55 1HB CYS 55 -2.342 -16.238 -6.788 368 HB3 CYS 55 2HB CYS 55 -1.103 -16.536 -5.575 369 HG CYS 55 HG CYS 55 0.723 -15.384 -7.802 370 H GLU 56 H GLU 56 -2.990 -17.942 -8.764 371 HA GLU 56 HA GLU 56 -1.853 -18.258 -11.314 372 HB2 GLU 56 1HB GLU 56 -4.591 -17.568 -10.315 373 HB3 GLU 56 2HB GLU 56 -4.242 -17.462 -12.035 374 HG2 GLU 56 1HG GLU 56 -3.294 -19.895 -11.623 375 HG3 GLU 56 2HG GLU 56 -4.432 -19.841 -10.278 376 H GLU 57 H GLU 57 -3.175 -15.401 -9.679 377 HA GLU 57 HA GLU 57 -1.406 -13.624 -10.980 378 HB2 GLU 57 1HB GLU 57 -2.920 -12.422 -12.425 379 HB3 GLU 57 2HB GLU 57 -2.905 -14.116 -12.895 380 HG2 GLU 57 1HG GLU 57 -5.025 -12.743 -11.260 381 HG3 GLU 57 2HG GLU 57 -5.154 -13.224 -12.951 382 H VAL 58 H VAL 58 -2.115 -11.275 -10.598 383 HA VAL 58 HA VAL 58 -3.769 -11.052 -8.179 384 HB VAL 58 HB VAL 58 -1.078 -9.723 -8.524 385 HG11 VAL 58 1HG1 VAL 58 -1.588 -9.314 -5.981 386 HG12 VAL 58 2HG1 VAL 58 -2.235 -8.232 -7.216 387 HG13 VAL 58 3HG1 VAL 58 -3.262 -9.481 -6.511 388 HG21 VAL 58 3HG2 VAL 58 -1.221 -11.382 -6.220 389 HG22 VAL 58 1HG2 VAL 58 -1.728 -12.329 -7.619 390 HG23 VAL 58 2HG2 VAL 58 -0.156 -11.529 -7.618 391 H SER 59 H SER 59 -5.446 -9.964 -9.073 392 HA SER 59 HA SER 59 -4.994 -7.759 -10.893 393 HB2 SER 59 1HB SER 59 -7.362 -9.275 -9.915 394 HB3 SER 59 2HB SER 59 -7.631 -7.623 -10.470 395 HG SER 59 HG SER 59 -6.943 -8.170 -12.470 396 H MET 60 H MET 60 -4.361 -5.870 -10.089 397 HA MET 60 HA MET 60 -5.610 -4.930 -7.590 398 HB2 MET 60 1HB MET 60 -2.917 -4.050 -8.623 399 HB3 MET 60 2HB MET 60 -3.605 -3.770 -7.029 400 HG2 MET 60 1HG MET 60 -3.223 -5.944 -6.338 401 HG3 MET 60 2HG MET 60 -3.108 -6.554 -7.987 402 HE1 MET 60 3HE MET 60 0.092 -3.661 -6.445 403 HE2 MET 60 1HE MET 60 -1.642 -3.369 -6.585 404 HE3 MET 60 2HE MET 60 -1.014 -4.321 -5.240 405 H LYS 61 H LYS 61 -6.730 -3.087 -7.679 406 HA LYS 61 HA LYS 61 -6.170 -1.111 -9.738 407 HB2 LYS 61 1HB LYS 61 -8.617 -2.802 -9.654 408 HB3 LYS 61 2HB LYS 61 -8.823 -1.100 -10.045 409 HG2 LYS 61 1HG LYS 61 -6.857 -2.846 -11.491 410 HG3 LYS 61 2HG LYS 61 -8.546 -2.706 -11.986 411 HD2 LYS 61 1HD LYS 61 -8.137 -0.177 -11.990 412 HD3 LYS 61 2HD LYS 61 -6.421 -0.583 -11.934 413 HE2 LYS 61 1HE LYS 61 -7.096 -0.231 -14.226 414 HE3 LYS 61 2HE LYS 61 -6.707 -1.933 -13.980 415 HZ1 LYS 61 3HZ LYS 61 -9.088 -0.830 -14.939 416 HZ2 LYS 61 1HZ LYS 61 -9.432 -1.560 -13.452 417 HZ3 LYS 61 2HZ LYS 61 -8.718 -2.462 -14.692 418 H HIS 62 H HIS 62 -7.014 0.956 -9.279 419 HA HIS 62 HA HIS 62 -7.671 1.330 -6.452 420 HB2 HIS 62 1HB HIS 62 -5.845 2.687 -7.092 421 HB3 HIS 62 2HB HIS 62 -6.626 3.173 -8.594 422 HD1 HIS 62 1HD HIS 62 -7.893 5.320 -8.548 423 HD2 HIS 62 2HD HIS 62 -7.095 3.881 -4.733 424 HE1 HIS 62 1HE HIS 62 -8.639 7.135 -6.975 425 H VAL 63 H VAL 63 -9.870 0.501 -6.889 426 HA VAL 63 HA VAL 63 -11.787 1.442 -8.538 427 HB VAL 63 HB VAL 63 -13.360 1.295 -6.446 428 HG11 VAL 63 1HG1 VAL 63 -13.787 -0.625 -7.474 429 HG12 VAL 63 2HG1 VAL 63 -12.184 -0.616 -8.210 430 HG13 VAL 63 3HG1 VAL 63 -12.425 -1.361 -6.630 431 HG21 VAL 63 3HG2 VAL 63 -11.222 1.452 -4.970 432 HG22 VAL 63 1HG2 VAL 63 -12.519 0.347 -4.512 433 HG23 VAL 63 2HG2 VAL 63 -11.077 -0.271 -5.317 434 H GLY 64 H GLY 64 -10.492 3.120 -5.723 435 HA2 GLY 64 1HA GLY 64 -10.450 5.617 -6.130 436 HA3 GLY 64 2HA GLY 64 -12.176 5.447 -6.412 437 H ASN 65 H ASN 65 -12.131 7.147 -4.671 438 HA ASN 65 HA ASN 65 -12.422 7.818 -2.510 439 HB2 ASN 65 1HB ASN 65 -14.265 6.005 -2.997 440 HB3 ASN 65 2HB ASN 65 -13.358 5.058 -1.822 441 HD21 ASN 65 1HD2 ASN 65 -14.934 8.178 -2.301 442 HD22 ASN 65 2HD2 ASN 65 -15.393 8.400 -0.650 443 H GLN 66 H GLN 66 -9.817 6.813 -3.113 444 HA GLN 66 HA GLN 66 -7.869 6.286 -2.065 445 HB2 GLN 66 1HB GLN 66 -9.498 6.650 0.456 446 HB3 GLN 66 2HB GLN 66 -7.742 6.602 0.364 447 HG2 GLN 66 1HG GLN 66 -8.242 8.864 0.506 448 HG3 GLN 66 2HG GLN 66 -7.948 8.599 -1.212 449 HE21 GLN 66 1HE2 GLN 66 -10.430 9.031 1.227 450 HE22 GLN 66 2HE2 GLN 66 -11.660 9.586 0.149 451 H GLN 67 H GLN 67 -9.818 4.202 -2.777 452 HA GLN 67 HA GLN 67 -9.071 2.128 -0.825 453 HB2 GLN 67 1HB GLN 67 -11.307 2.031 -2.854 454 HB3 GLN 67 2HB GLN 67 -10.982 0.853 -1.589 455 HG2 GLN 67 1HG GLN 67 -11.825 2.184 0.065 456 HG3 GLN 67 2HG GLN 67 -11.475 3.676 -0.806 457 HE21 GLN 67 1HE2 GLN 67 -13.942 2.417 0.465 458 HE22 GLN 67 2HE2 GLN 67 -15.159 2.588 -0.749 459 H TYR 68 H TYR 68 -8.716 -0.059 -1.765 460 HA TYR 68 HA TYR 68 -7.703 -0.035 -4.508 461 HB2 TYR 68 1HB TYR 68 -6.079 -0.707 -2.058 462 HB3 TYR 68 2HB TYR 68 -5.640 -1.282 -3.662 463 HD1 TYR 68 2HD TYR 68 -4.841 0.270 -5.366 464 HD2 TYR 68 1HD TYR 68 -5.841 1.628 -1.459 465 HE1 TYR 68 2HE TYR 68 -3.662 2.383 -5.805 466 HE2 TYR 68 1HE TYR 68 -4.666 3.746 -1.888 467 HH TYR 68 HH TYR 68 -3.290 4.838 -3.287 468 H ASN 69 H ASN 69 -8.625 -1.681 -5.515 469 HA ASN 69 HA ASN 69 -9.621 -3.955 -4.002 470 HB2 ASN 69 1HB ASN 69 -10.816 -2.669 -5.954 471 HB3 ASN 69 2HB ASN 69 -9.848 -3.723 -6.981 472 HD21 ASN 69 1HD2 ASN 69 -9.843 -6.048 -5.556 473 HD22 ASN 69 2HD2 ASN 69 -11.449 -6.679 -5.460 474 H VAL 70 H VAL 70 -8.602 -5.839 -3.838 475 HA VAL 70 HA VAL 70 -6.635 -6.588 -5.885 476 HB VAL 70 HB VAL 70 -6.131 -6.890 -2.923 477 HG11 VAL 70 1HG1 VAL 70 -3.865 -7.509 -3.636 478 HG12 VAL 70 2HG1 VAL 70 -5.081 -8.613 -4.281 479 HG13 VAL 70 3HG1 VAL 70 -4.367 -7.380 -5.321 480 HG21 VAL 70 3HG2 VAL 70 -5.932 -4.561 -4.440 481 HG22 VAL 70 1HG2 VAL 70 -5.211 -4.865 -2.859 482 HG23 VAL 70 2HG2 VAL 70 -4.282 -5.173 -4.327 483 H THR 71 H THR 71 -7.175 -8.494 -6.692 484 HA THR 71 HA THR 71 -8.299 -10.532 -4.890 485 HB THR 71 HB THR 71 -9.207 -10.354 -7.745 486 HG1 THR 71 1HG THR 71 -10.723 -8.895 -7.228 487 HG21 THR 71 3HG2 THR 71 -9.599 -12.367 -6.233 488 HG22 THR 71 1HG2 THR 71 -11.021 -11.679 -7.016 489 HG23 THR 71 2HG2 THR 71 -10.695 -11.331 -5.318 490 H TYR 72 H TYR 72 -7.626 -12.617 -5.225 491 HA TYR 72 HA TYR 72 -5.824 -13.130 -7.485 492 HB2 TYR 72 1HB TYR 72 -4.268 -14.321 -5.970 493 HB3 TYR 72 2HB TYR 72 -4.379 -12.603 -5.605 494 HD1 TYR 72 1HD TYR 72 -5.930 -15.847 -4.583 495 HD2 TYR 72 2HD TYR 72 -4.640 -11.970 -3.398 496 HE1 TYR 72 1HE TYR 72 -6.474 -16.387 -2.246 497 HE2 TYR 72 2HE TYR 72 -5.179 -12.499 -1.058 498 HH TYR 72 HH TYR 72 -6.852 -14.182 0.109 499 H VAL 73 H VAL 73 -5.222 -15.590 -7.442 500 HA VAL 73 HA VAL 73 -7.534 -17.199 -6.619 501 HB VAL 73 HB VAL 73 -6.338 -17.229 -9.394 502 HG11 VAL 73 1HG1 VAL 73 -6.898 -19.412 -9.259 503 HG12 VAL 73 2HG1 VAL 73 -8.010 -19.154 -7.913 504 HG13 VAL 73 3HG1 VAL 73 -8.521 -18.794 -9.563 505 HG21 VAL 73 3HG2 VAL 73 -8.510 -15.760 -8.240 506 HG22 VAL 73 1HG2 VAL 73 -7.879 -15.708 -9.886 507 HG23 VAL 73 2HG2 VAL 73 -9.127 -16.878 -9.456 508 H VAL 74 H VAL 74 -7.076 -19.303 -6.079 509 HA VAL 74 HA VAL 74 -4.267 -20.157 -6.317 510 HB VAL 74 HB VAL 74 -4.401 -21.189 -4.101 511 HG11 VAL 74 1HG1 VAL 74 -5.243 -18.405 -3.537 512 HG12 VAL 74 2HG1 VAL 74 -3.822 -19.296 -2.986 513 HG13 VAL 74 3HG1 VAL 74 -3.869 -18.630 -4.619 514 HG21 VAL 74 3HG2 VAL 74 -7.203 -20.548 -4.397 515 HG22 VAL 74 1HG2 VAL 74 -6.412 -21.645 -3.264 516 HG23 VAL 74 2HG2 VAL 74 -6.560 -19.931 -2.875 517 H LYS 75 H LYS 75 -3.966 -22.508 -6.107 518 HA LYS 75 HA LYS 75 -6.329 -24.008 -7.030 519 HB2 LYS 75 1HB LYS 75 -3.554 -23.897 -8.103 520 HB3 LYS 75 2HB LYS 75 -4.379 -25.449 -8.141 521 HG2 LYS 75 1HG LYS 75 -4.950 -24.616 -10.188 522 HG3 LYS 75 2HG LYS 75 -6.312 -24.047 -9.219 523 HD2 LYS 75 1HD LYS 75 -5.673 -22.168 -10.451 524 HD3 LYS 75 2HD LYS 75 -4.919 -21.917 -8.874 525 HE2 LYS 75 1HE LYS 75 -3.171 -21.431 -10.286 526 HE3 LYS 75 2HE LYS 75 -2.892 -23.145 -9.978 527 HZ1 LYS 75 3HZ LYS 75 -3.428 -21.839 -12.436 528 HZ2 LYS 75 1HZ LYS 75 -4.591 -23.033 -12.147 529 HZ3 LYS 75 2HZ LYS 75 -2.949 -23.438 -12.159 530 H GLU 76 H GLU 76 -3.669 -23.807 -4.875 531 HA GLU 76 HA GLU 76 -4.126 -26.565 -3.958 532 HB2 GLU 76 1HB GLU 76 -1.782 -25.780 -4.613 533 HB3 GLU 76 2HB GLU 76 -1.822 -24.797 -3.156 534 HG2 GLU 76 1HG GLU 76 -0.677 -27.037 -2.978 535 HG3 GLU 76 2HG GLU 76 -1.894 -26.675 -1.755 536 H ARG 77 H ARG 77 -4.231 -26.960 -1.666 537 HA ARG 77 HA ARG 77 -5.342 -24.668 -0.186 538 HB2 ARG 77 1HB ARG 77 -6.639 -26.319 1.107 539 HB3 ARG 77 2HB ARG 77 -7.014 -26.378 -0.610 540 HG2 ARG 77 1HG ARG 77 -5.323 -28.289 -0.731 541 HG3 ARG 77 2HG ARG 77 -5.441 -28.330 1.030 542 HD2 ARG 77 1HD ARG 77 -7.990 -28.432 0.622 543 HD3 ARG 77 2HD ARG 77 -7.550 -28.899 -1.020 544 HE ARG 77 HE ARG 77 -6.113 -30.619 0.445 545 HH11 ARG 77 1HH1 ARG 77 -9.460 -29.674 0.599 546 HH12 ARG 77 2HH1 ARG 77 -10.000 -31.205 1.204 547 HH21 ARG 77 1HH2 ARG 77 -6.812 -32.640 1.240 548 HH22 ARG 77 2HH2 ARG 77 -8.493 -32.891 1.569 549 H GLY 78 H GLY 78 -5.328 -25.401 2.337 550 HA2 GLY 78 1HA GLY 78 -3.907 -26.497 4.006 551 HA3 GLY 78 2HA GLY 78 -2.548 -26.208 2.930 552 H ASP 79 H ASP 79 -1.237 -24.773 3.833 553 HA ASP 79 HA ASP 79 -2.416 -22.503 5.285 554 HB2 ASP 79 1HB ASP 79 -0.873 -23.935 6.582 555 HB3 ASP 79 2HB ASP 79 0.405 -23.590 5.420 556 H TYR 80 H TYR 80 -2.128 -20.470 4.587 557 HA TYR 80 HA TYR 80 -0.261 -20.037 2.349 558 HB2 TYR 80 1HB TYR 80 -3.123 -19.277 2.658 559 HB3 TYR 80 2HB TYR 80 -2.062 -18.132 1.845 560 HD1 TYR 80 1HD TYR 80 -3.249 -21.650 1.750 561 HD2 TYR 80 2HD TYR 80 -1.461 -18.446 -0.403 562 HE1 TYR 80 1HE TYR 80 -3.475 -22.934 -0.335 563 HE2 TYR 80 2HE TYR 80 -1.683 -19.720 -2.495 564 HH TYR 80 HH TYR 80 -1.880 -22.542 -2.918 565 H VAL 81 H VAL 81 0.276 -17.667 2.066 566 HA VAL 81 HA VAL 81 0.283 -16.184 4.592 567 HB VAL 81 HB VAL 81 2.774 -16.748 2.978 568 HG11 VAL 81 1HG1 VAL 81 2.420 -14.424 4.082 569 HG12 VAL 81 2HG1 VAL 81 2.724 -15.291 5.589 570 HG13 VAL 81 3HG1 VAL 81 3.948 -15.272 4.318 571 HG21 VAL 81 3HG2 VAL 81 2.584 -18.647 4.236 572 HG22 VAL 81 1HG2 VAL 81 3.413 -17.608 5.395 573 HG23 VAL 81 2HG2 VAL 81 1.669 -17.843 5.512 574 H LEU 82 H LEU 82 -0.478 -14.224 4.192 575 HA LEU 82 HA LEU 82 -0.153 -13.088 1.505 576 HB2 LEU 82 1HB LEU 82 -2.437 -13.246 2.218 577 HB3 LEU 82 2HB LEU 82 -2.065 -12.444 3.742 578 HG LEU 82 HG LEU 82 -1.544 -10.377 2.443 579 HD11 LEU 82 1HD1 LEU 82 -2.363 -10.235 0.137 580 HD12 LEU 82 2HD1 LEU 82 -2.709 -11.964 0.159 581 HD13 LEU 82 3HD1 LEU 82 -1.045 -11.397 0.297 582 HD21 LEU 82 3HD2 LEU 82 -4.021 -11.478 3.163 583 HD22 LEU 82 1HD2 LEU 82 -4.257 -10.735 1.581 584 HD23 LEU 82 2HD2 LEU 82 -3.626 -9.775 2.921 585 H ALA 83 H ALA 83 1.401 -11.643 1.237 586 HA ALA 83 HA ALA 83 2.285 -10.064 3.559 587 HB1 ALA 83 3HB ALA 83 4.026 -9.969 1.233 588 HB2 ALA 83 1HB ALA 83 4.397 -10.368 2.911 589 HB3 ALA 83 2HB ALA 83 3.770 -11.610 1.827 590 H VAL 84 H VAL 84 1.334 -8.130 3.585 591 HA VAL 84 HA VAL 84 1.072 -6.668 1.038 592 HB VAL 84 HB VAL 84 -0.621 -6.366 3.522 593 HG11 VAL 84 1HG1 VAL 84 -0.552 -4.252 2.516 594 HG12 VAL 84 2HG1 VAL 84 -0.587 -4.928 0.886 595 HG13 VAL 84 3HG1 VAL 84 -2.031 -4.985 1.898 596 HG21 VAL 84 3HG2 VAL 84 -0.867 -8.447 1.979 597 HG22 VAL 84 1HG2 VAL 84 -2.305 -7.558 2.481 598 HG23 VAL 84 2HG2 VAL 84 -1.631 -7.308 0.870 599 H LYS 85 H LYS 85 2.103 -4.782 0.848 600 HA LYS 85 HA LYS 85 3.241 -3.575 3.285 601 HB2 LYS 85 1HB LYS 85 4.392 -3.771 0.502 602 HB3 LYS 85 2HB LYS 85 5.039 -2.693 1.732 603 HG2 LYS 85 1HG LYS 85 5.514 -4.606 3.170 604 HG3 LYS 85 2HG LYS 85 4.854 -5.692 1.945 605 HD2 LYS 85 1HD LYS 85 7.169 -5.777 1.607 606 HD3 LYS 85 2HD LYS 85 6.590 -4.662 0.367 607 HE2 LYS 85 1HE LYS 85 7.265 -2.767 1.696 608 HE3 LYS 85 2HE LYS 85 7.705 -3.819 3.040 609 HZ1 LYS 85 3HZ LYS 85 9.720 -3.403 2.035 610 HZ2 LYS 85 1HZ LYS 85 9.083 -3.427 0.467 611 HZ3 LYS 85 2HZ LYS 85 9.287 -4.874 1.320 612 H TRP 86 H TRP 86 3.477 -1.263 3.285 613 HA TRP 86 HA TRP 86 1.787 0.146 1.338 614 HB2 TRP 86 1HB TRP 86 0.324 -0.039 3.181 615 HB3 TRP 86 2HB TRP 86 1.613 0.261 4.342 616 HD1 TRP 86 HD TRP 86 1.580 2.612 5.334 617 HE1 TRP 86 1HE TRP 86 0.674 4.911 4.616 618 HE3 TRP 86 3HE TRP 86 -0.192 1.376 0.701 619 HZ2 TRP 86 2HZ TRP 86 -0.622 6.051 2.382 620 HZ3 TRP 86 3HZ TRP 86 -1.252 3.129 -0.663 621 HH2 TRP 86 HH TRP 86 -1.462 5.417 0.163 622 H GLY 87 H GLY 87 3.652 0.937 0.322 623 HA2 GLY 87 1HA GLY 87 5.360 2.425 -0.048 624 HA3 GLY 87 2HA GLY 87 4.594 3.413 1.187 625 H GLU 88 H GLU 88 6.758 0.624 0.786 626 HA GLU 88 HA GLU 88 8.567 -0.079 1.973 627 HB2 GLU 88 1HB GLU 88 8.604 2.854 2.674 628 HB3 GLU 88 2HB GLU 88 9.854 1.735 3.198 629 HG2 GLU 88 1HG GLU 88 10.190 1.168 0.761 630 HG3 GLU 88 2HG GLU 88 9.156 2.547 0.394 631 H GLU 89 H GLU 89 5.988 -0.384 3.157 632 HA GLU 89 HA GLU 89 6.816 -0.723 5.925 633 HB2 GLU 89 1HB GLU 89 4.326 0.805 5.149 634 HB3 GLU 89 2HB GLU 89 4.694 0.255 6.777 635 HG2 GLU 89 1HG GLU 89 6.863 1.607 6.520 636 HG3 GLU 89 2HG GLU 89 6.046 2.378 5.162 637 H HIS 90 H HIS 90 4.881 -1.833 7.154 638 HA HIS 90 HA HIS 90 3.620 -3.790 5.353 639 HB2 HIS 90 1HB HIS 90 5.289 -4.271 7.792 640 HB3 HIS 90 2HB HIS 90 3.991 -5.395 7.400 641 HD1 HIS 90 1HD HIS 90 4.832 -7.334 6.140 642 HD2 HIS 90 2HD HIS 90 6.960 -3.882 5.236 643 HE1 HIS 90 1HE HIS 90 6.564 -8.033 4.457 644 H ILE 91 H ILE 91 1.496 -3.550 5.503 645 HA ILE 91 HA ILE 91 0.055 -2.105 7.311 646 HB ILE 91 HB ILE 91 -1.923 -3.377 6.675 647 HG12 ILE 91 1HG1 ILE 91 -0.114 -5.268 5.175 648 HG13 ILE 91 2HG1 ILE 91 -0.694 -5.615 6.800 649 HG21 ILE 91 1HG2 ILE 91 -1.253 -1.769 5.079 650 HG22 ILE 91 2HG2 ILE 91 0.044 -2.799 4.477 651 HG23 ILE 91 3HG2 ILE 91 -1.638 -3.228 4.167 652 HD11 ILE 91 3HD1 ILE 91 -2.420 -5.153 4.379 653 HD12 ILE 91 1HD1 ILE 91 -2.049 -6.715 5.107 654 HD13 ILE 91 2HD1 ILE 91 -2.992 -5.525 6.005 655 HA PRO 92 HA PRO 92 0.014 -4.239 11.152 656 HB2 PRO 92 1HB PRO 92 -2.405 -3.468 12.112 657 HB3 PRO 92 2HB PRO 92 -1.016 -2.379 12.022 658 HG2 PRO 92 1HG PRO 92 -3.346 -2.638 10.159 659 HG3 PRO 92 2HG PRO 92 -2.562 -1.170 10.774 660 HD2 PRO 92 1HD PRO 92 -2.070 -2.159 8.301 661 HD3 PRO 92 2HD PRO 92 -0.838 -1.302 9.250 662 H GLY 93 H GLY 93 -0.077 -6.423 10.851 663 HA2 GLY 93 1HA GLY 93 -1.802 -8.154 11.625 664 HA3 GLY 93 2HA GLY 93 -2.703 -7.606 10.220 665 H SER 94 H SER 94 0.159 -7.279 8.992 666 HA SER 94 HA SER 94 0.190 -9.980 7.881 667 HB2 SER 94 1HB SER 94 0.227 -8.495 6.104 668 HB3 SER 94 2HB SER 94 1.207 -7.315 6.975 669 HG SER 94 HG SER 94 2.972 -8.305 6.348 670 HA PRO 95 HA PRO 95 1.714 -11.042 6.488 671 HB2 PRO 95 1HB PRO 95 2.438 -13.610 6.993 672 HB3 PRO 95 2HB PRO 95 3.543 -12.419 6.297 673 HG2 PRO 95 1HG PRO 95 3.303 -13.351 9.132 674 HG3 PRO 95 2HG PRO 95 4.764 -13.060 8.170 675 HD2 PRO 95 1HD PRO 95 3.837 -11.279 9.986 676 HD3 PRO 95 2HD PRO 95 4.685 -10.781 8.508 677 H PHE 96 H PHE 96 -0.335 -11.690 6.253 678 HA PHE 96 HA PHE 96 -1.895 -12.385 8.566 679 HB2 PHE 96 1HB PHE 96 -2.478 -11.847 5.683 680 HB3 PHE 96 2HB PHE 96 -3.688 -12.679 6.653 681 HD1 PHE 96 1HD PHE 96 -4.813 -11.548 8.481 682 HD2 PHE 96 2HD PHE 96 -1.942 -9.533 6.069 683 HE1 PHE 96 1HE PHE 96 -5.603 -9.386 9.352 684 HE2 PHE 96 2HE PHE 96 -2.726 -7.369 6.937 685 HZ PHE 96 HZ PHE 96 -4.558 -7.293 8.582 686 H HIS 97 H HIS 97 -3.275 -14.280 8.686 687 HA HIS 97 HA HIS 97 -1.936 -16.645 7.568 688 HB2 HIS 97 1HB HIS 97 -1.991 -16.597 9.999 689 HB3 HIS 97 2HB HIS 97 -3.737 -16.365 9.982 690 HD1 HIS 97 1HD HIS 97 -4.612 -18.477 10.957 691 HD2 HIS 97 2HD HIS 97 -1.721 -19.172 8.055 692 HE1 HIS 97 1HE HIS 97 -4.564 -20.971 10.640 693 H VAL 98 H VAL 98 -2.890 -17.336 5.767 694 HA VAL 98 HA VAL 98 -5.830 -17.265 5.613 695 HB VAL 98 HB VAL 98 -3.778 -17.356 3.399 696 HG11 VAL 98 1HG1 VAL 98 -5.788 -17.123 1.906 697 HG12 VAL 98 2HG1 VAL 98 -5.603 -18.698 2.680 698 HG13 VAL 98 3HG1 VAL 98 -6.782 -17.542 3.301 699 HG21 VAL 98 3HG2 VAL 98 -3.929 -15.153 4.250 700 HG22 VAL 98 1HG2 VAL 98 -4.914 -15.181 2.787 701 HG23 VAL 98 2HG2 VAL 98 -5.686 -15.242 4.371 702 H THR 99 H THR 99 -6.709 -19.157 6.120 703 HA THR 99 HA THR 99 -5.266 -21.633 5.515 704 HB THR 99 HB THR 99 -7.731 -21.201 7.214 705 HG1 THR 99 1HG THR 99 -6.237 -20.575 8.584 706 HG21 THR 99 3HG2 THR 99 -6.774 -23.578 8.000 707 HG22 THR 99 1HG2 THR 99 -6.285 -23.621 6.306 708 HG23 THR 99 2HG2 THR 99 -7.984 -23.407 6.729 709 H VAL 100 H VAL 100 -5.914 -23.029 3.991 710 HA VAL 100 HA VAL 100 -8.474 -22.483 2.634 711 HB VAL 100 HB VAL 100 -5.954 -23.680 1.473 712 HG11 VAL 100 1HG1 VAL 100 -8.609 -23.075 0.174 713 HG12 VAL 100 2HG1 VAL 100 -7.151 -23.602 -0.670 714 HG13 VAL 100 3HG1 VAL 100 -7.939 -24.676 0.486 715 HG21 VAL 100 3HG2 VAL 100 -6.903 -21.323 0.150 716 HG22 VAL 100 1HG2 VAL 100 -6.693 -20.997 1.871 717 HG23 VAL 100 2HG2 VAL 100 -5.343 -21.616 0.920 718 HA PRO 101 HA PRO 101 -9.705 -26.507 4.018 719 HB2 PRO 101 1HB PRO 101 -11.950 -26.704 2.504 720 HB3 PRO 101 2HB PRO 101 -11.853 -25.693 3.951 721 HG2 PRO 101 1HG PRO 101 -11.605 -24.910 1.072 722 HG3 PRO 101 2HG PRO 101 -12.481 -24.096 2.381 723 HD2 PRO 101 1HD PRO 101 -10.048 -23.272 1.525 724 HD3 PRO 101 2HD PRO 101 -10.573 -23.106 3.213 Start of MODEL 5 1 H1 GLY 1 H GLY 1 17.926 11.427 3.742 2 HA2 GLY 1 1HA GLY 1 17.297 9.804 1.530 3 HA3 GLY 1 2HA GLY 1 15.815 10.534 2.129 4 H SER 2 H SER 2 18.648 10.989 0.286 5 HA SER 2 HA SER 2 19.210 13.627 0.256 6 HB2 SER 2 1HB SER 2 18.828 11.845 -2.160 7 HB3 SER 2 2HB SER 2 19.626 13.417 -2.202 8 HG SER 2 HG SER 2 21.073 11.605 -1.969 9 H SER 3 H SER 3 16.494 12.142 -1.497 10 HA SER 3 HA SER 3 15.472 14.588 -2.500 11 HB2 SER 3 1HB SER 3 13.498 13.297 -3.119 12 HB3 SER 3 2HB SER 3 14.953 12.373 -3.492 13 HG SER 3 HG SER 3 14.465 11.583 -1.149 14 H GLY 4 H GLY 4 13.069 15.161 -1.973 15 HA2 GLY 4 1HA GLY 4 12.799 15.266 0.969 16 HA3 GLY 4 2HA GLY 4 12.452 16.644 -0.065 17 H SER 5 H SER 5 11.450 13.315 0.625 18 HA SER 5 HA SER 5 8.915 13.685 -0.711 19 HB2 SER 5 1HB SER 5 10.137 11.414 0.852 20 HB3 SER 5 2HB SER 5 8.462 11.370 0.302 21 HG SER 5 HG SER 5 9.487 10.498 -1.370 22 H SER 6 H SER 6 7.900 15.350 0.406 23 HA SER 6 HA SER 6 7.570 15.316 3.244 24 HB2 SER 6 1HB SER 6 6.428 16.962 1.005 25 HB3 SER 6 2HB SER 6 5.764 17.095 2.634 26 HG SER 6 HG SER 6 8.163 17.989 1.627 27 H GLY 7 H GLY 7 5.850 14.667 4.469 28 HA2 GLY 7 1HA GLY 7 3.357 14.180 4.325 29 HA3 GLY 7 2HA GLY 7 3.820 13.058 3.054 30 H SER 8 H SER 8 2.510 12.673 5.717 31 HA SER 8 HA SER 8 4.480 10.870 6.952 32 HB2 SER 8 1HB SER 8 2.112 12.361 8.040 33 HB3 SER 8 2HB SER 8 2.693 10.911 8.859 34 HG SER 8 HG SER 8 4.488 12.960 8.157 35 H SER 9 H SER 9 4.079 9.269 5.304 36 HA SER 9 HA SER 9 1.445 8.079 5.155 37 HB2 SER 9 1HB SER 9 4.059 7.207 3.899 38 HB3 SER 9 2HB SER 9 2.468 6.547 3.523 39 HG SER 9 HG SER 9 3.167 9.279 3.215 40 H ASP 10 H ASP 10 0.831 6.931 6.878 41 HA ASP 10 HA ASP 10 2.772 5.118 8.136 42 HB2 ASP 10 1HB ASP 10 0.345 6.550 9.119 43 HB3 ASP 10 2HB ASP 10 0.765 5.011 9.867 44 H ALA 11 H ALA 11 2.242 2.950 8.534 45 HA ALA 11 HA ALA 11 0.312 1.853 6.634 46 HB1 ALA 11 3HB ALA 11 1.469 -0.186 6.787 47 HB2 ALA 11 1HB ALA 11 2.722 1.055 6.802 48 HB3 ALA 11 2HB ALA 11 2.241 0.269 8.306 49 H SER 12 H SER 12 1.061 1.826 10.088 50 HA SER 12 HA SER 12 -0.743 -0.052 10.993 51 HB2 SER 12 1HB SER 12 0.967 1.241 12.355 52 HB3 SER 12 2HB SER 12 -0.207 2.556 12.422 53 HG SER 12 HG SER 12 -1.484 1.379 13.693 54 H LYS 13 H LYS 13 -1.365 3.036 9.620 55 HA LYS 13 HA LYS 13 -4.014 3.327 10.712 56 HB2 LYS 13 1HB LYS 13 -2.632 4.768 8.441 57 HB3 LYS 13 2HB LYS 13 -4.196 5.214 9.111 58 HG2 LYS 13 1HG LYS 13 -1.543 5.265 10.531 59 HG3 LYS 13 2HG LYS 13 -2.503 6.653 10.014 60 HD2 LYS 13 1HD LYS 13 -4.334 5.812 11.523 61 HD3 LYS 13 2HD LYS 13 -3.176 4.637 12.151 62 HE2 LYS 13 1HE LYS 13 -2.439 7.527 12.092 63 HE3 LYS 13 2HE LYS 13 -3.532 6.945 13.346 64 HZ1 LYS 13 3HZ LYS 13 -1.880 5.375 14.059 65 HZ2 LYS 13 1HZ LYS 13 -1.187 6.918 14.026 66 HZ3 LYS 13 2HZ LYS 13 -0.844 5.811 12.794 67 H VAL 14 H VAL 14 -2.591 2.224 7.677 68 HA VAL 14 HA VAL 14 -4.836 2.014 6.087 69 HB VAL 14 HB VAL 14 -2.361 0.314 6.238 70 HG11 VAL 14 1HG1 VAL 14 -4.865 -0.289 4.875 71 HG12 VAL 14 2HG1 VAL 14 -3.474 -0.246 3.790 72 HG13 VAL 14 3HG1 VAL 14 -3.469 -1.319 5.190 73 HG21 VAL 14 3HG2 VAL 14 -3.368 2.527 4.495 74 HG22 VAL 14 1HG2 VAL 14 -1.818 2.370 5.320 75 HG23 VAL 14 2HG2 VAL 14 -2.157 1.397 3.889 76 H THR 15 H THR 15 -6.531 0.650 5.914 77 HA THR 15 HA THR 15 -6.685 -1.567 7.851 78 HB THR 15 HB THR 15 -9.131 -1.210 7.932 79 HG1 THR 15 1HG THR 15 -8.466 0.735 6.045 80 HG21 THR 15 3HG2 THR 15 -7.180 0.842 8.825 81 HG22 THR 15 1HG2 THR 15 -8.236 -0.203 9.774 82 HG23 THR 15 2HG2 THR 15 -8.894 1.227 8.979 83 H SER 16 H SER 16 -7.652 -3.483 7.186 84 HA SER 16 HA SER 16 -8.349 -3.683 4.336 85 HB2 SER 16 1HB SER 16 -7.173 -5.879 4.258 86 HB3 SER 16 2HB SER 16 -6.081 -4.524 4.543 87 HG SER 16 HG SER 16 -6.744 -5.244 6.911 88 H LYS 17 H LYS 17 -10.132 -4.843 3.900 89 HA LYS 17 HA LYS 17 -11.205 -6.638 5.953 90 HB2 LYS 17 1HB LYS 17 -13.518 -5.637 5.300 91 HB3 LYS 17 2HB LYS 17 -12.511 -4.793 6.470 92 HG2 LYS 17 1HG LYS 17 -13.145 -3.058 5.131 93 HG3 LYS 17 2HG LYS 17 -11.638 -3.534 4.343 94 HD2 LYS 17 1HD LYS 17 -12.718 -4.470 2.543 95 HD3 LYS 17 2HD LYS 17 -14.186 -4.807 3.463 96 HE2 LYS 17 1HE LYS 17 -14.618 -3.038 1.881 97 HE3 LYS 17 2HE LYS 17 -14.665 -2.384 3.517 98 HZ1 LYS 17 3HZ LYS 17 -12.906 -1.740 1.345 99 HZ2 LYS 17 1HZ LYS 17 -12.073 -2.065 2.781 100 HZ3 LYS 17 2HZ LYS 17 -13.259 -0.859 2.746 101 H GLY 18 H GLY 18 -13.076 -7.944 5.070 102 HA2 GLY 18 1HA GLY 18 -14.124 -8.503 2.811 103 HA3 GLY 18 2HA GLY 18 -12.457 -8.674 2.280 104 H ALA 19 H ALA 19 -12.452 -10.819 1.793 105 HA ALA 19 HA ALA 19 -12.919 -12.658 4.048 106 HB1 ALA 19 3HB ALA 19 -14.187 -12.622 1.479 107 HB2 ALA 19 1HB ALA 19 -13.266 -14.114 1.671 108 HB3 ALA 19 2HB ALA 19 -14.493 -13.675 2.860 109 H GLY 20 H GLY 20 -11.279 -12.327 0.898 110 HA2 GLY 20 1HA GLY 20 -9.537 -14.421 0.963 111 HA3 GLY 20 2HA GLY 20 -9.111 -12.847 0.308 112 H LEU 21 H LEU 21 -9.324 -11.473 2.861 113 HA LEU 21 HA LEU 21 -6.667 -11.873 3.773 114 HB2 LEU 21 1HB LEU 21 -8.910 -10.326 5.064 115 HB3 LEU 21 2HB LEU 21 -7.196 -10.185 5.452 116 HG LEU 21 HG LEU 21 -8.082 -9.626 2.661 117 HD11 LEU 21 1HD1 LEU 21 -8.409 -7.726 4.978 118 HD12 LEU 21 2HD1 LEU 21 -9.694 -8.390 3.970 119 HD13 LEU 21 3HD1 LEU 21 -8.512 -7.281 3.275 120 HD21 LEU 21 3HD2 LEU 21 -5.839 -9.349 2.709 121 HD22 LEU 21 1HD2 LEU 21 -5.804 -9.022 4.441 122 HD23 LEU 21 2HD2 LEU 21 -6.279 -7.751 3.315 123 H SER 22 H SER 22 -9.842 -12.725 5.078 124 HA SER 22 HA SER 22 -8.762 -13.848 7.489 125 HB2 SER 22 1HB SER 22 -11.122 -12.861 7.122 126 HB3 SER 22 2HB SER 22 -11.513 -14.427 6.411 127 HG SER 22 HG SER 22 -10.234 -14.425 8.886 128 H LYS 23 H LYS 23 -10.394 -15.255 4.648 129 HA LYS 23 HA LYS 23 -8.622 -17.530 4.689 130 HB2 LYS 23 1HB LYS 23 -10.296 -19.224 5.023 131 HB3 LYS 23 2HB LYS 23 -10.354 -18.113 6.385 132 HG2 LYS 23 1HG LYS 23 -12.310 -17.033 5.471 133 HG3 LYS 23 2HG LYS 23 -12.224 -18.042 4.026 134 HD2 LYS 23 1HD LYS 23 -13.804 -19.173 5.257 135 HD3 LYS 23 2HD LYS 23 -12.330 -20.003 5.763 136 HE2 LYS 23 1HE LYS 23 -13.290 -17.621 7.290 137 HE3 LYS 23 2HE LYS 23 -14.062 -19.186 7.541 138 HZ1 LYS 23 3HZ LYS 23 -12.400 -19.198 9.109 139 HZ2 LYS 23 1HZ LYS 23 -11.298 -18.367 8.129 140 HZ3 LYS 23 2HZ LYS 23 -11.638 -19.996 7.826 141 H ALA 24 H ALA 24 -9.171 -19.078 2.893 142 HA ALA 24 HA ALA 24 -10.704 -17.831 0.729 143 HB1 ALA 24 3HB ALA 24 -8.361 -19.003 -0.401 144 HB2 ALA 24 1HB ALA 24 -8.924 -17.334 -0.495 145 HB3 ALA 24 2HB ALA 24 -7.884 -17.841 0.837 146 H PHE 25 H PHE 25 -10.855 -19.393 -1.187 147 HA PHE 25 HA PHE 25 -10.927 -22.183 -0.273 148 HB2 PHE 25 1HB PHE 25 -13.164 -20.702 -1.668 149 HB3 PHE 25 2HB PHE 25 -13.124 -22.448 -1.439 150 HD1 PHE 25 2HD PHE 25 -12.705 -19.358 0.615 151 HD2 PHE 25 1HD PHE 25 -14.336 -23.278 0.313 152 HE1 PHE 25 2HE PHE 25 -13.755 -19.087 2.824 153 HE2 PHE 25 1HE PHE 25 -15.389 -23.013 2.521 154 HZ PHE 25 HZ PHE 25 -15.099 -20.917 3.780 155 H VAL 26 H VAL 26 -10.183 -23.624 -1.713 156 HA VAL 26 HA VAL 26 -8.742 -22.872 -3.957 157 HB VAL 26 HB VAL 26 -10.033 -25.570 -3.540 158 HG11 VAL 26 1HG1 VAL 26 -9.158 -25.499 -5.719 159 HG12 VAL 26 2HG1 VAL 26 -7.725 -24.606 -5.205 160 HG13 VAL 26 3HG1 VAL 26 -7.918 -26.301 -4.756 161 HG21 VAL 26 3HG2 VAL 26 -8.858 -25.065 -1.536 162 HG22 VAL 26 1HG2 VAL 26 -7.825 -26.142 -2.476 163 HG23 VAL 26 2HG2 VAL 26 -7.484 -24.412 -2.430 164 H GLY 27 H GLY 27 -9.179 -22.602 -6.084 165 HA2 GLY 27 1HA GLY 27 -10.380 -22.648 -8.072 166 HA3 GLY 27 2HA GLY 27 -11.666 -23.511 -7.242 167 H GLN 28 H GLN 28 -12.097 -21.650 -5.147 168 HA GLN 28 HA GLN 28 -13.793 -19.801 -6.522 169 HB2 GLN 28 1HB GLN 28 -13.128 -20.075 -3.586 170 HB3 GLN 28 2HB GLN 28 -14.374 -19.017 -4.236 171 HG2 GLN 28 1HG GLN 28 -15.534 -20.984 -5.150 172 HG3 GLN 28 2HG GLN 28 -14.309 -22.020 -4.420 173 HE21 GLN 28 1HE2 GLN 28 -16.420 -19.330 -3.461 174 HE22 GLN 28 2HE2 GLN 28 -16.923 -20.035 -1.966 175 H LYS 29 H LYS 29 -13.683 -17.552 -6.552 176 HA LYS 29 HA LYS 29 -10.982 -16.490 -6.458 177 HB2 LYS 29 1HB LYS 29 -12.733 -16.087 -8.319 178 HB3 LYS 29 2HB LYS 29 -13.439 -14.925 -7.202 179 HG2 LYS 29 1HG LYS 29 -11.361 -13.673 -7.153 180 HG3 LYS 29 2HG LYS 29 -10.604 -14.860 -8.218 181 HD2 LYS 29 1HD LYS 29 -12.687 -14.270 -9.746 182 HD3 LYS 29 2HD LYS 29 -12.622 -12.763 -8.830 183 HE2 LYS 29 1HE LYS 29 -10.219 -12.569 -9.446 184 HE3 LYS 29 2HE LYS 29 -10.408 -13.991 -10.470 185 HZ1 LYS 29 3HZ LYS 29 -10.598 -11.924 -11.727 186 HZ2 LYS 29 1HZ LYS 29 -11.914 -11.449 -10.776 187 HZ3 LYS 29 2HZ LYS 29 -12.041 -12.805 -11.778 188 H SER 30 H SER 30 -10.186 -15.398 -4.794 189 HA SER 30 HA SER 30 -12.067 -14.298 -2.813 190 HB2 SER 30 1HB SER 30 -9.369 -15.570 -2.563 191 HB3 SER 30 2HB SER 30 -9.861 -14.372 -1.366 192 HG SER 30 HG SER 30 -11.080 -16.845 -1.990 193 H SER 31 H SER 31 -12.074 -12.175 -2.424 194 HA SER 31 HA SER 31 -9.834 -10.561 -3.452 195 HB2 SER 31 1HB SER 31 -11.370 -8.869 -4.218 196 HB3 SER 31 2HB SER 31 -11.884 -10.414 -4.895 197 HG SER 31 HG SER 31 -13.552 -10.490 -3.469 198 H PHE 32 H PHE 32 -9.562 -8.478 -2.396 199 HA PHE 32 HA PHE 32 -10.879 -8.105 0.165 200 HB2 PHE 32 1HB PHE 32 -8.762 -8.001 1.420 201 HB3 PHE 32 2HB PHE 32 -9.036 -9.603 0.744 202 HD1 PHE 32 2HD PHE 32 -7.717 -10.380 -1.177 203 HD2 PHE 32 1HD PHE 32 -6.924 -6.657 0.727 204 HE1 PHE 32 2HE PHE 32 -5.507 -10.303 -2.256 205 HE2 PHE 32 1HE PHE 32 -4.713 -6.573 -0.350 206 HZ PHE 32 HZ PHE 32 -4.001 -8.398 -1.843 207 H LEU 33 H LEU 33 -11.030 -6.000 0.721 208 HA LEU 33 HA LEU 33 -9.732 -4.064 -1.065 209 HB2 LEU 33 1HB LEU 33 -12.256 -4.164 -0.813 210 HB3 LEU 33 2HB LEU 33 -12.017 -3.532 0.815 211 HG LEU 33 HG LEU 33 -12.673 -1.814 -0.853 212 HD11 LEU 33 1HD1 LEU 33 -10.793 -1.671 1.167 213 HD12 LEU 33 2HD1 LEU 33 -11.595 -0.311 0.383 214 HD13 LEU 33 3HD1 LEU 33 -10.018 -0.855 -0.190 215 HD21 LEU 33 3HD2 LEU 33 -11.346 -1.215 -2.650 216 HD22 LEU 33 1HD2 LEU 33 -11.214 -2.974 -2.657 217 HD23 LEU 33 2HD2 LEU 33 -9.910 -1.995 -1.985 218 H VAL 34 H VAL 34 -8.582 -2.322 -0.276 219 HA VAL 34 HA VAL 34 -8.018 -2.338 2.617 220 HB VAL 34 HB VAL 34 -5.995 -1.709 0.467 221 HG11 VAL 34 1HG1 VAL 34 -5.880 -1.911 3.459 222 HG12 VAL 34 2HG1 VAL 34 -4.435 -2.087 2.461 223 HG13 VAL 34 3HG1 VAL 34 -5.360 -0.585 2.419 224 HG21 VAL 34 3HG2 VAL 34 -4.999 -3.930 1.435 225 HG22 VAL 34 1HG2 VAL 34 -6.681 -4.261 1.849 226 HG23 VAL 34 2HG2 VAL 34 -6.225 -3.978 0.169 227 H ASP 35 H ASP 35 -8.802 -0.534 3.471 228 HA ASP 35 HA ASP 35 -9.109 1.865 1.873 229 HB2 ASP 35 1HB ASP 35 -10.039 0.955 4.558 230 HB3 ASP 35 2HB ASP 35 -9.950 2.688 4.253 231 H CYS 36 H CYS 36 -7.612 3.386 1.726 232 HA CYS 36 HA CYS 36 -5.677 3.672 3.931 233 HB2 CYS 36 1HB CYS 36 -3.955 4.197 2.360 234 HB3 CYS 36 2HB CYS 36 -4.736 2.726 1.793 235 HG CYS 36 HG CYS 36 -4.638 5.781 0.383 236 H SER 37 H SER 37 -8.171 5.043 3.746 237 HA SER 37 HA SER 37 -7.993 7.598 2.617 238 HB2 SER 37 1HB SER 37 -10.117 6.678 3.388 239 HB3 SER 37 2HB SER 37 -9.541 6.685 5.055 240 HG SER 37 HG SER 37 -9.449 9.093 3.657 241 H LYS 38 H LYS 38 -7.603 6.727 6.057 242 HA LYS 38 HA LYS 38 -6.122 9.210 6.484 243 HB2 LYS 38 1HB LYS 38 -7.137 7.158 8.460 244 HB3 LYS 38 2HB LYS 38 -6.341 8.668 8.884 245 HG2 LYS 38 1HG LYS 38 -8.919 8.493 7.341 246 HG3 LYS 38 2HG LYS 38 -8.814 8.723 9.088 247 HD2 LYS 38 1HD LYS 38 -7.452 10.558 7.130 248 HD3 LYS 38 2HD LYS 38 -9.112 10.815 7.673 249 HE2 LYS 38 1HE LYS 38 -6.917 10.425 9.667 250 HE3 LYS 38 2HE LYS 38 -7.151 11.998 8.906 251 HZ1 LYS 38 3HZ LYS 38 -8.698 10.711 10.950 252 HZ2 LYS 38 1HZ LYS 38 -9.653 11.288 9.678 253 HZ3 LYS 38 2HZ LYS 38 -8.631 12.345 10.514 254 H ALA 39 H ALA 39 -4.980 6.926 5.020 255 HA ALA 39 HA ALA 39 -2.920 5.936 6.837 256 HB1 ALA 39 3HB ALA 39 -3.327 5.279 3.924 257 HB2 ALA 39 1HB ALA 39 -2.297 4.427 5.075 258 HB3 ALA 39 2HB ALA 39 -4.051 4.386 5.262 259 H GLY 40 H GLY 40 -3.032 7.490 3.620 260 HA2 GLY 40 1HA GLY 40 -1.346 9.581 4.023 261 HA3 GLY 40 2HA GLY 40 -0.250 8.228 3.784 262 H SER 41 H SER 41 0.463 9.525 1.928 263 HA SER 41 HA SER 41 -1.344 9.244 -0.382 264 HB2 SER 41 1HB SER 41 0.939 11.181 0.062 265 HB3 SER 41 2HB SER 41 0.028 11.037 -1.440 266 HG SER 41 HG SER 41 -0.939 12.650 -0.305 267 H ASN 42 H ASN 42 0.619 7.305 0.864 268 HA ASN 42 HA ASN 42 2.696 7.020 -1.117 269 HB2 ASN 42 1HB ASN 42 2.639 6.315 1.447 270 HB3 ASN 42 2HB ASN 42 2.022 4.810 0.770 271 HD21 ASN 42 1HD2 ASN 42 4.756 6.638 1.461 272 HD22 ASN 42 2HD2 ASN 42 5.922 5.674 0.626 273 H MET 43 H MET 43 2.946 4.527 -1.832 274 HA MET 43 HA MET 43 0.456 3.914 -3.273 275 HB2 MET 43 1HB MET 43 1.871 2.781 -4.925 276 HB3 MET 43 2HB MET 43 2.348 4.461 -4.719 277 HG2 MET 43 1HG MET 43 4.341 3.929 -3.753 278 HG3 MET 43 2HG MET 43 3.741 2.407 -3.096 279 HE1 MET 43 3HE MET 43 4.513 -0.043 -4.459 280 HE2 MET 43 1HE MET 43 2.871 0.587 -4.588 281 HE3 MET 43 2HE MET 43 3.714 0.021 -6.030 282 H LEU 44 H LEU 44 -0.448 1.911 -3.176 283 HA LEU 44 HA LEU 44 0.569 0.137 -1.096 284 HB2 LEU 44 1HB LEU 44 -1.825 0.873 -1.177 285 HB3 LEU 44 2HB LEU 44 -2.002 -0.075 -2.652 286 HG LEU 44 HG LEU 44 -1.097 -2.002 -1.054 287 HD11 LEU 44 1HD1 LEU 44 -0.840 -1.151 1.019 288 HD12 LEU 44 2HD1 LEU 44 -2.575 -1.453 1.119 289 HD13 LEU 44 3HD1 LEU 44 -1.982 0.164 0.742 290 HD21 LEU 44 3HD2 LEU 44 -3.071 -2.548 -2.015 291 HD22 LEU 44 1HD2 LEU 44 -3.793 -0.973 -1.688 292 HD23 LEU 44 2HD2 LEU 44 -3.691 -2.179 -0.405 293 H LEU 45 H LEU 45 1.207 -1.951 -1.426 294 HA LEU 45 HA LEU 45 1.059 -3.065 -4.124 295 HB2 LEU 45 1HB LEU 45 3.380 -3.562 -4.248 296 HB3 LEU 45 2HB LEU 45 3.216 -1.843 -3.896 297 HG LEU 45 HG LEU 45 3.528 -2.730 -1.403 298 HD11 LEU 45 1HD1 LEU 45 4.934 -4.763 -3.124 299 HD12 LEU 45 2HD1 LEU 45 3.673 -5.064 -1.930 300 HD13 LEU 45 3HD1 LEU 45 5.263 -4.506 -1.411 301 HD21 LEU 45 3HD2 LEU 45 5.846 -2.102 -1.571 302 HD22 LEU 45 1HD2 LEU 45 4.887 -1.049 -2.612 303 HD23 LEU 45 2HD2 LEU 45 5.830 -2.363 -3.316 304 H ILE 46 H ILE 46 1.755 -5.381 -4.157 305 HA ILE 46 HA ILE 46 1.234 -6.684 -1.566 306 HB ILE 46 HB ILE 46 0.305 -7.707 -4.250 307 HG12 ILE 46 1HG1 ILE 46 -0.911 -5.665 -3.566 308 HG13 ILE 46 2HG1 ILE 46 -1.946 -7.089 -3.550 309 HG21 ILE 46 1HG2 ILE 46 0.080 -8.710 -1.439 310 HG22 ILE 46 2HG2 ILE 46 -1.121 -9.150 -2.651 311 HG23 ILE 46 3HG2 ILE 46 0.573 -9.573 -2.895 312 HD11 ILE 46 3HD1 ILE 46 -0.640 -5.884 -1.123 313 HD12 ILE 46 1HD1 ILE 46 -2.308 -5.607 -1.625 314 HD13 ILE 46 2HD1 ILE 46 -1.786 -7.224 -1.151 315 H GLY 47 H GLY 47 2.333 -8.604 -1.137 316 HA2 GLY 47 1HA GLY 47 4.424 -9.344 -3.085 317 HA3 GLY 47 2HA GLY 47 4.810 -9.110 -1.387 318 H VAL 48 H VAL 48 2.274 -10.846 -3.199 319 HA VAL 48 HA VAL 48 1.731 -12.850 -1.438 320 HB VAL 48 HB VAL 48 1.321 -14.325 -3.479 321 HG11 VAL 48 1HG1 VAL 48 -0.561 -13.255 -2.656 322 HG12 VAL 48 2HG1 VAL 48 0.067 -11.647 -3.021 323 HG13 VAL 48 3HG1 VAL 48 -0.502 -12.689 -4.326 324 HG21 VAL 48 3HG2 VAL 48 1.887 -11.795 -5.007 325 HG22 VAL 48 1HG2 VAL 48 3.060 -13.103 -4.852 326 HG23 VAL 48 2HG2 VAL 48 1.513 -13.395 -5.647 327 H HIS 49 H HIS 49 2.566 -14.827 -0.879 328 HA HIS 49 HA HIS 49 5.398 -15.147 -1.161 329 HB2 HIS 49 1HB HIS 49 5.141 -17.076 0.279 330 HB3 HIS 49 2HB HIS 49 4.158 -15.757 0.907 331 HD1 HIS 49 1HD HIS 49 1.517 -15.938 0.210 332 HD2 HIS 49 2HD HIS 49 3.791 -19.407 -0.034 333 HE1 HIS 49 1HE HIS 49 -0.142 -17.828 0.169 334 H GLY 50 H GLY 50 6.463 -17.047 -2.003 335 HA2 GLY 50 1HA GLY 50 4.957 -18.738 -3.828 336 HA3 GLY 50 2HA GLY 50 6.116 -17.653 -4.583 337 HA PRO 51 HA PRO 51 8.852 -20.530 -1.866 338 HB2 PRO 51 1HB PRO 51 7.607 -22.415 -0.360 339 HB3 PRO 51 2HB PRO 51 7.940 -20.781 0.228 340 HG2 PRO 51 1HG PRO 51 5.398 -21.918 -0.872 341 HG3 PRO 51 2HG PRO 51 5.636 -20.860 0.531 342 HD2 PRO 51 1HD PRO 51 4.797 -19.929 -1.869 343 HD3 PRO 51 2HD PRO 51 5.800 -18.963 -0.768 344 H THR 52 H THR 52 5.882 -22.349 -2.657 345 HA THR 52 HA THR 52 7.476 -23.994 -4.502 346 HB THR 52 HB THR 52 6.003 -25.951 -3.829 347 HG1 THR 52 1HG THR 52 5.381 -24.098 -1.772 348 HG21 THR 52 3HG2 THR 52 7.498 -26.655 -2.180 349 HG22 THR 52 1HG2 THR 52 7.696 -25.029 -1.529 350 HG23 THR 52 2HG2 THR 52 8.423 -25.453 -3.079 351 H THR 53 H THR 53 4.153 -23.228 -3.468 352 HA THR 53 HA THR 53 3.383 -23.187 -6.311 353 HB THR 53 HB THR 53 1.598 -24.107 -4.052 354 HG1 THR 53 1HG THR 53 1.926 -26.165 -5.401 355 HG21 THR 53 3HG2 THR 53 1.243 -24.276 -7.046 356 HG22 THR 53 1HG2 THR 53 0.449 -23.102 -5.997 357 HG23 THR 53 2HG2 THR 53 0.099 -24.822 -5.821 358 HA PRO 54 HA PRO 54 2.454 -19.039 -4.605 359 HB2 PRO 54 1HB PRO 54 2.861 -17.755 -6.962 360 HB3 PRO 54 2HB PRO 54 4.174 -18.169 -5.854 361 HG2 PRO 54 1HG PRO 54 3.267 -19.585 -8.331 362 HG3 PRO 54 2HG PRO 54 4.917 -19.237 -7.781 363 HD2 PRO 54 1HD PRO 54 3.759 -21.665 -7.469 364 HD3 PRO 54 2HD PRO 54 4.937 -21.013 -6.311 365 H CYS 55 H CYS 55 0.984 -17.290 -5.674 366 HA CYS 55 HA CYS 55 -1.540 -18.526 -6.172 367 HB2 CYS 55 1HB CYS 55 -0.651 -15.639 -6.202 368 HB3 CYS 55 2HB CYS 55 -2.317 -16.140 -6.464 369 HG CYS 55 HG CYS 55 -2.934 -16.713 -3.982 370 H GLU 56 H GLU 56 -2.875 -18.270 -8.026 371 HA GLU 56 HA GLU 56 -1.571 -18.750 -10.468 372 HB2 GLU 56 1HB GLU 56 -4.408 -18.169 -9.696 373 HB3 GLU 56 2HB GLU 56 -3.960 -18.233 -11.395 374 HG2 GLU 56 1HG GLU 56 -2.882 -20.523 -10.676 375 HG3 GLU 56 2HG GLU 56 -4.065 -20.406 -9.374 376 H GLU 57 H GLU 57 -3.032 -15.837 -9.113 377 HA GLU 57 HA GLU 57 -1.390 -14.125 -10.666 378 HB2 GLU 57 1HB GLU 57 -2.998 -13.117 -12.121 379 HB3 GLU 57 2HB GLU 57 -3.058 -14.853 -12.390 380 HG2 GLU 57 1HG GLU 57 -5.009 -14.870 -10.753 381 HG3 GLU 57 2HG GLU 57 -5.032 -13.119 -10.949 382 H VAL 58 H VAL 58 -2.286 -11.761 -10.486 383 HA VAL 58 HA VAL 58 -3.830 -11.337 -8.052 384 HB VAL 58 HB VAL 58 -1.035 -10.230 -8.359 385 HG11 VAL 58 1HG1 VAL 58 -3.289 -9.632 -6.527 386 HG12 VAL 58 2HG1 VAL 58 -1.665 -9.673 -5.836 387 HG13 VAL 58 3HG1 VAL 58 -2.033 -8.571 -7.164 388 HG21 VAL 58 3HG2 VAL 58 -1.216 -12.667 -7.748 389 HG22 VAL 58 1HG2 VAL 58 -0.377 -11.652 -6.574 390 HG23 VAL 58 2HG2 VAL 58 -2.039 -12.157 -6.274 391 H SER 59 H SER 59 -5.383 -10.082 -8.888 392 HA SER 59 HA SER 59 -4.692 -7.990 -10.802 393 HB2 SER 59 1HB SER 59 -6.650 -9.530 -11.184 394 HB3 SER 59 2HB SER 59 -7.441 -8.763 -9.806 395 HG SER 59 HG SER 59 -6.433 -7.113 -11.819 396 H MET 60 H MET 60 -3.917 -6.210 -9.841 397 HA MET 60 HA MET 60 -5.313 -5.190 -7.460 398 HB2 MET 60 1HB MET 60 -2.593 -4.336 -8.447 399 HB3 MET 60 2HB MET 60 -3.313 -4.025 -6.873 400 HG2 MET 60 1HG MET 60 -2.965 -6.190 -6.138 401 HG3 MET 60 2HG MET 60 -2.818 -6.827 -7.775 402 HE1 MET 60 3HE MET 60 -0.945 -4.417 -5.130 403 HE2 MET 60 1HE MET 60 0.417 -3.984 -6.164 404 HE3 MET 60 2HE MET 60 -1.224 -3.547 -6.640 405 H LYS 61 H LYS 61 -6.526 -3.430 -7.655 406 HA LYS 61 HA LYS 61 -5.900 -1.455 -9.718 407 HB2 LYS 61 1HB LYS 61 -8.370 -3.108 -9.563 408 HB3 LYS 61 2HB LYS 61 -8.555 -1.414 -9.996 409 HG2 LYS 61 1HG LYS 61 -6.683 -1.928 -11.726 410 HG3 LYS 61 2HG LYS 61 -7.173 -3.605 -11.474 411 HD2 LYS 61 1HD LYS 61 -9.251 -3.279 -12.399 412 HD3 LYS 61 2HD LYS 61 -9.277 -1.560 -11.997 413 HE2 LYS 61 1HE LYS 61 -7.458 -1.253 -13.715 414 HE3 LYS 61 2HE LYS 61 -7.751 -2.920 -14.208 415 HZ1 LYS 61 3HZ LYS 61 -9.043 -1.635 -15.640 416 HZ2 LYS 61 1HZ LYS 61 -9.573 -0.601 -14.410 417 HZ3 LYS 61 2HZ LYS 61 -10.153 -2.188 -14.489 418 H HIS 62 H HIS 62 -6.889 0.619 -9.353 419 HA HIS 62 HA HIS 62 -7.508 1.056 -6.513 420 HB2 HIS 62 1HB HIS 62 -5.574 2.296 -7.165 421 HB3 HIS 62 2HB HIS 62 -6.363 2.883 -8.626 422 HD1 HIS 62 1HD HIS 62 -6.770 5.300 -8.365 423 HD2 HIS 62 2HD HIS 62 -7.462 3.235 -4.827 424 HE1 HIS 62 1HE HIS 62 -7.579 7.027 -6.726 425 H VAL 63 H VAL 63 -9.728 0.393 -6.899 426 HA VAL 63 HA VAL 63 -11.530 1.429 -8.677 427 HB VAL 63 HB VAL 63 -13.230 1.223 -6.745 428 HG11 VAL 63 1HG1 VAL 63 -12.418 -1.417 -6.739 429 HG12 VAL 63 2HG1 VAL 63 -13.475 -0.653 -7.929 430 HG13 VAL 63 3HG1 VAL 63 -11.742 -0.776 -8.237 431 HG21 VAL 63 3HG2 VAL 63 -12.577 0.477 -4.697 432 HG22 VAL 63 1HG2 VAL 63 -11.170 -0.375 -5.334 433 HG23 VAL 63 2HG2 VAL 63 -11.122 1.376 -5.126 434 H GLY 64 H GLY 64 -9.930 3.087 -6.125 435 HA2 GLY 64 1HA GLY 64 -9.873 5.517 -6.264 436 HA3 GLY 64 2HA GLY 64 -11.577 5.470 -6.692 437 H ASN 65 H ASN 65 -11.348 7.155 -4.849 438 HA ASN 65 HA ASN 65 -11.803 7.776 -2.706 439 HB2 ASN 65 1HB ASN 65 -13.344 5.263 -3.120 440 HB3 ASN 65 2HB ASN 65 -13.225 5.876 -1.473 441 HD21 ASN 65 1HD2 ASN 65 -13.619 8.333 -1.361 442 HD22 ASN 65 2HD2 ASN 65 -15.007 8.896 -2.222 443 H GLN 66 H GLN 66 -9.284 6.478 -3.158 444 HA GLN 66 HA GLN 66 -7.494 5.726 -1.973 445 HB2 GLN 66 1HB GLN 66 -9.190 6.006 0.505 446 HB3 GLN 66 2HB GLN 66 -7.437 6.075 0.385 447 HG2 GLN 66 1HG GLN 66 -9.125 8.079 -1.048 448 HG3 GLN 66 2HG GLN 66 -8.785 8.259 0.673 449 HE21 GLN 66 1HE2 GLN 66 -7.829 9.238 -2.256 450 HE22 GLN 66 2HE2 GLN 66 -6.161 9.566 -1.950 451 H GLN 67 H GLN 67 -9.685 3.915 -2.880 452 HA GLN 67 HA GLN 67 -9.223 1.677 -1.024 453 HB2 GLN 67 1HB GLN 67 -11.434 1.986 -3.061 454 HB3 GLN 67 2HB GLN 67 -11.255 0.666 -1.913 455 HG2 GLN 67 1HG GLN 67 -11.701 2.099 -0.070 456 HG3 GLN 67 2HG GLN 67 -11.617 3.533 -1.092 457 HE21 GLN 67 1HE2 GLN 67 -13.506 0.748 -0.205 458 HE22 GLN 67 2HE2 GLN 67 -14.994 1.287 -0.896 459 H TYR 68 H TYR 68 -8.103 -0.037 -1.709 460 HA TYR 68 HA TYR 68 -7.461 -0.196 -4.580 461 HB2 TYR 68 1HB TYR 68 -5.828 -0.916 -2.149 462 HB3 TYR 68 2HB TYR 68 -5.407 -1.468 -3.766 463 HD1 TYR 68 2HD TYR 68 -4.583 0.094 -5.440 464 HD2 TYR 68 1HD TYR 68 -5.581 1.416 -1.521 465 HE1 TYR 68 2HE TYR 68 -3.383 2.201 -5.852 466 HE2 TYR 68 1HE TYR 68 -4.386 3.528 -1.923 467 HH TYR 68 HH TYR 68 -2.892 4.224 -5.065 468 H ASN 69 H ASN 69 -8.475 -1.801 -5.569 469 HA ASN 69 HA ASN 69 -9.462 -4.078 -4.063 470 HB2 ASN 69 1HB ASN 69 -10.656 -2.747 -5.999 471 HB3 ASN 69 2HB ASN 69 -9.742 -3.841 -7.034 472 HD21 ASN 69 1HD2 ASN 69 -9.819 -6.029 -5.141 473 HD22 ASN 69 2HD2 ASN 69 -11.429 -6.655 -5.182 474 H VAL 70 H VAL 70 -8.465 -5.975 -3.927 475 HA VAL 70 HA VAL 70 -6.528 -6.723 -6.007 476 HB VAL 70 HB VAL 70 -6.041 -7.094 -3.050 477 HG11 VAL 70 1HG1 VAL 70 -3.805 -7.798 -3.750 478 HG12 VAL 70 2HG1 VAL 70 -5.053 -8.837 -4.441 479 HG13 VAL 70 3HG1 VAL 70 -4.274 -7.609 -5.440 480 HG21 VAL 70 3HG2 VAL 70 -5.544 -4.836 -4.785 481 HG22 VAL 70 1HG2 VAL 70 -5.350 -4.977 -3.038 482 HG23 VAL 70 2HG2 VAL 70 -4.044 -5.475 -4.114 483 H THR 71 H THR 71 -7.081 -8.606 -6.859 484 HA THR 71 HA THR 71 -8.353 -10.624 -5.127 485 HB THR 71 HB THR 71 -8.990 -10.518 -8.050 486 HG1 THR 71 1HG THR 71 -10.941 -9.276 -7.156 487 HG21 THR 71 3HG2 THR 71 -11.186 -11.391 -7.106 488 HG22 THR 71 1HG2 THR 71 -10.347 -11.533 -5.562 489 HG23 THR 71 2HG2 THR 71 -9.788 -12.456 -6.957 490 H TYR 72 H TYR 72 -7.786 -12.766 -5.470 491 HA TYR 72 HA TYR 72 -5.797 -13.350 -7.533 492 HB2 TYR 72 1HB TYR 72 -4.366 -14.523 -5.880 493 HB3 TYR 72 2HB TYR 72 -4.460 -12.790 -5.587 494 HD1 TYR 72 1HD TYR 72 -6.205 -15.936 -4.560 495 HD2 TYR 72 2HD TYR 72 -4.788 -12.092 -3.413 496 HE1 TYR 72 1HE TYR 72 -6.908 -16.374 -2.244 497 HE2 TYR 72 2HE TYR 72 -5.485 -12.520 -1.094 498 HH TYR 72 HH TYR 72 -7.424 -14.209 -0.039 499 H VAL 73 H VAL 73 -5.243 -15.816 -7.382 500 HA VAL 73 HA VAL 73 -7.601 -17.379 -6.623 501 HB VAL 73 HB VAL 73 -6.359 -17.416 -9.376 502 HG11 VAL 73 1HG1 VAL 73 -7.925 -19.411 -7.907 503 HG12 VAL 73 2HG1 VAL 73 -8.544 -19.032 -9.516 504 HG13 VAL 73 3HG1 VAL 73 -6.884 -19.597 -9.318 505 HG21 VAL 73 3HG2 VAL 73 -8.954 -17.058 -9.833 506 HG22 VAL 73 1HG2 VAL 73 -8.867 -16.317 -8.235 507 HG23 VAL 73 2HG2 VAL 73 -7.857 -15.708 -9.546 508 H VAL 74 H VAL 74 -7.105 -19.299 -5.751 509 HA VAL 74 HA VAL 74 -4.326 -20.250 -6.019 510 HB VAL 74 HB VAL 74 -4.536 -21.231 -3.777 511 HG11 VAL 74 1HG1 VAL 74 -3.554 -19.021 -4.002 512 HG12 VAL 74 2HG1 VAL 74 -5.151 -18.279 -3.881 513 HG13 VAL 74 3HG1 VAL 74 -4.468 -19.136 -2.498 514 HG21 VAL 74 3HG2 VAL 74 -6.991 -19.664 -3.205 515 HG22 VAL 74 1HG2 VAL 74 -7.173 -21.183 -4.083 516 HG23 VAL 74 2HG2 VAL 74 -6.416 -21.170 -2.490 517 H LYS 75 H LYS 75 -3.973 -22.490 -6.130 518 HA LYS 75 HA LYS 75 -6.339 -24.031 -6.965 519 HB2 LYS 75 1HB LYS 75 -3.439 -24.517 -7.671 520 HB3 LYS 75 2HB LYS 75 -4.826 -25.401 -8.296 521 HG2 LYS 75 1HG LYS 75 -4.393 -22.454 -8.718 522 HG3 LYS 75 2HG LYS 75 -3.872 -23.702 -9.852 523 HD2 LYS 75 1HD LYS 75 -6.704 -23.725 -8.944 524 HD3 LYS 75 2HD LYS 75 -6.211 -22.482 -10.096 525 HE2 LYS 75 1HE LYS 75 -5.801 -23.996 -11.761 526 HE3 LYS 75 2HE LYS 75 -5.398 -25.290 -10.634 527 HZ1 LYS 75 3HZ LYS 75 -7.781 -24.941 -11.960 528 HZ2 LYS 75 1HZ LYS 75 -8.115 -24.503 -10.361 529 HZ3 LYS 75 2HZ LYS 75 -7.473 -26.030 -10.703 530 H GLU 76 H GLU 76 -3.610 -23.935 -4.816 531 HA GLU 76 HA GLU 76 -4.195 -26.637 -3.843 532 HB2 GLU 76 1HB GLU 76 -1.819 -25.825 -4.384 533 HB3 GLU 76 2HB GLU 76 -1.940 -24.875 -2.909 534 HG2 GLU 76 1HG GLU 76 -0.781 -27.022 -2.592 535 HG3 GLU 76 2HG GLU 76 -2.220 -26.855 -1.587 536 H ARG 77 H ARG 77 -4.158 -26.950 -1.453 537 HA ARG 77 HA ARG 77 -5.531 -24.712 -0.116 538 HB2 ARG 77 1HB ARG 77 -6.582 -26.506 1.309 539 HB3 ARG 77 2HB ARG 77 -7.081 -26.500 -0.378 540 HG2 ARG 77 1HG ARG 77 -5.328 -28.287 -0.759 541 HG3 ARG 77 2HG ARG 77 -5.213 -28.403 0.998 542 HD2 ARG 77 1HD ARG 77 -7.764 -28.701 0.938 543 HD3 ARG 77 2HD ARG 77 -7.546 -29.022 -0.782 544 HE ARG 77 HE ARG 77 -5.792 -30.621 0.763 545 HH11 ARG 77 1HH1 ARG 77 -9.134 -30.313 -0.162 546 HH12 ARG 77 2HH1 ARG 77 -9.473 -32.003 0.007 547 HH21 ARG 77 1HH2 ARG 77 -6.225 -32.849 0.988 548 HH22 ARG 77 2HH2 ARG 77 -7.818 -33.445 0.662 549 H GLY 78 H GLY 78 -5.282 -24.661 2.268 550 HA2 GLY 78 1HA GLY 78 -3.837 -25.733 4.086 551 HA3 GLY 78 2HA GLY 78 -2.514 -25.378 2.985 552 H ASP 79 H ASP 79 -1.478 -24.031 4.465 553 HA ASP 79 HA ASP 79 -2.904 -21.639 5.352 554 HB2 ASP 79 1HB ASP 79 -1.729 -22.372 7.180 555 HB3 ASP 79 2HB ASP 79 -0.433 -23.060 6.206 556 H TYR 80 H TYR 80 -2.662 -19.720 4.410 557 HA TYR 80 HA TYR 80 -0.482 -19.406 2.454 558 HB2 TYR 80 1HB TYR 80 -3.314 -18.416 2.488 559 HB3 TYR 80 2HB TYR 80 -2.089 -17.552 1.565 560 HD1 TYR 80 1HD TYR 80 -3.128 -21.114 2.079 561 HD2 TYR 80 2HD TYR 80 -2.008 -18.069 -0.674 562 HE1 TYR 80 1HE TYR 80 -3.425 -22.695 0.218 563 HE2 TYR 80 2HE TYR 80 -2.303 -19.641 -2.542 564 HH TYR 80 HH TYR 80 -2.307 -22.064 -2.925 565 H VAL 81 H VAL 81 0.743 -17.549 2.451 566 HA VAL 81 HA VAL 81 0.429 -15.824 4.818 567 HB VAL 81 HB VAL 81 2.932 -16.432 3.239 568 HG11 VAL 81 1HG1 VAL 81 3.995 -14.781 4.308 569 HG12 VAL 81 2HG1 VAL 81 2.385 -14.149 4.661 570 HG13 VAL 81 3HG1 VAL 81 3.218 -15.157 5.845 571 HG21 VAL 81 3HG2 VAL 81 3.592 -17.404 5.534 572 HG22 VAL 81 1HG2 VAL 81 1.858 -17.424 5.854 573 HG23 VAL 81 2HG2 VAL 81 2.516 -18.345 4.502 574 H LEU 82 H LEU 82 -0.716 -14.097 4.136 575 HA LEU 82 HA LEU 82 -0.183 -12.887 1.554 576 HB2 LEU 82 1HB LEU 82 -2.466 -12.983 2.149 577 HB3 LEU 82 2HB LEU 82 -2.151 -12.323 3.753 578 HG LEU 82 HG LEU 82 -1.547 -10.157 2.644 579 HD11 LEU 82 1HD1 LEU 82 -1.101 -10.367 0.452 580 HD12 LEU 82 2HD1 LEU 82 -2.845 -10.183 0.273 581 HD13 LEU 82 3HD1 LEU 82 -2.124 -11.792 0.271 582 HD21 LEU 82 3HD2 LEU 82 -3.682 -10.336 3.671 583 HD22 LEU 82 1HD2 LEU 82 -4.318 -11.293 2.333 584 HD23 LEU 82 2HD2 LEU 82 -3.933 -9.589 2.093 585 H ALA 83 H ALA 83 1.527 -11.601 1.368 586 HA ALA 83 HA ALA 83 2.324 -9.936 3.651 587 HB1 ALA 83 3HB ALA 83 3.846 -11.541 2.073 588 HB2 ALA 83 1HB ALA 83 4.072 -9.974 1.296 589 HB3 ALA 83 2HB ALA 83 4.460 -10.175 3.005 590 H VAL 84 H VAL 84 1.294 -8.033 3.613 591 HA VAL 84 HA VAL 84 1.145 -6.587 1.048 592 HB VAL 84 HB VAL 84 -0.611 -6.162 3.469 593 HG11 VAL 84 1HG1 VAL 84 -1.415 -4.365 2.434 594 HG12 VAL 84 2HG1 VAL 84 -0.082 -4.512 1.287 595 HG13 VAL 84 3HG1 VAL 84 -1.641 -5.258 0.930 596 HG21 VAL 84 3HG2 VAL 84 -2.219 -7.115 1.457 597 HG22 VAL 84 1HG2 VAL 84 -0.763 -8.098 1.293 598 HG23 VAL 84 2HG2 VAL 84 -1.627 -8.051 2.830 599 H LYS 85 H LYS 85 2.401 -4.862 0.869 600 HA LYS 85 HA LYS 85 3.399 -3.585 3.327 601 HB2 LYS 85 1HB LYS 85 4.609 -3.916 0.593 602 HB3 LYS 85 2HB LYS 85 5.197 -2.690 1.708 603 HG2 LYS 85 1HG LYS 85 5.729 -4.413 3.343 604 HG3 LYS 85 2HG LYS 85 5.109 -5.652 2.249 605 HD2 LYS 85 1HD LYS 85 7.369 -5.758 1.816 606 HD3 LYS 85 2HD LYS 85 6.835 -4.620 0.577 607 HE2 LYS 85 1HE LYS 85 7.588 -2.756 1.864 608 HE3 LYS 85 2HE LYS 85 7.895 -3.777 3.268 609 HZ1 LYS 85 3HZ LYS 85 9.400 -3.679 0.721 610 HZ2 LYS 85 1HZ LYS 85 9.557 -4.965 1.809 611 HZ3 LYS 85 2HZ LYS 85 9.974 -3.397 2.288 612 H TRP 86 H TRP 86 3.583 -1.294 3.384 613 HA TRP 86 HA TRP 86 2.030 0.151 1.352 614 HB2 TRP 86 1HB TRP 86 0.449 -0.128 3.106 615 HB3 TRP 86 2HB TRP 86 1.645 0.250 4.343 616 HD1 TRP 86 HD TRP 86 1.600 2.658 5.216 617 HE1 TRP 86 1HE TRP 86 0.582 4.884 4.422 618 HE3 TRP 86 3HE TRP 86 -0.182 1.159 0.665 619 HZ2 TRP 86 2HZ TRP 86 -0.795 5.874 2.166 620 HZ3 TRP 86 3HZ TRP 86 -1.339 2.807 -0.750 621 HH2 TRP 86 HH TRP 86 -1.638 5.115 -0.013 622 H GLY 87 H GLY 87 3.851 1.092 0.469 623 HA2 GLY 87 1HA GLY 87 5.552 2.619 0.258 624 HA3 GLY 87 2HA GLY 87 4.758 3.492 1.561 625 H GLU 88 H GLU 88 6.905 0.712 0.995 626 HA GLU 88 HA GLU 88 8.647 -0.130 2.194 627 HB2 GLU 88 1HB GLU 88 8.858 2.788 2.938 628 HB3 GLU 88 2HB GLU 88 10.061 1.588 3.389 629 HG2 GLU 88 1HG GLU 88 10.469 1.108 1.029 630 HG3 GLU 88 2HG GLU 88 9.267 2.316 0.579 631 H GLU 89 H GLU 89 6.283 -0.667 3.384 632 HA GLU 89 HA GLU 89 7.050 -0.934 6.140 633 HB2 GLU 89 1HB GLU 89 4.741 0.833 5.355 634 HB3 GLU 89 2HB GLU 89 4.825 0.061 6.932 635 HG2 GLU 89 1HG GLU 89 7.212 1.171 6.969 636 HG3 GLU 89 2HG GLU 89 6.465 2.264 5.806 637 H HIS 90 H HIS 90 5.113 -2.002 7.384 638 HA HIS 90 HA HIS 90 3.780 -3.901 5.569 639 HB2 HIS 90 1HB HIS 90 5.343 -4.423 8.076 640 HB3 HIS 90 2HB HIS 90 4.047 -5.517 7.603 641 HD1 HIS 90 1HD HIS 90 4.793 -7.403 6.201 642 HD2 HIS 90 2HD HIS 90 7.279 -4.099 5.784 643 HE1 HIS 90 1HE HIS 90 6.630 -8.135 4.647 644 H ILE 91 H ILE 91 1.668 -3.537 5.658 645 HA ILE 91 HA ILE 91 0.256 -2.043 7.455 646 HB ILE 91 HB ILE 91 -1.768 -3.193 6.736 647 HG12 ILE 91 1HG1 ILE 91 -0.028 -5.142 5.230 648 HG13 ILE 91 2HG1 ILE 91 -0.647 -5.495 6.840 649 HG21 ILE 91 1HG2 ILE 91 -1.147 -1.639 5.149 650 HG22 ILE 91 2HG2 ILE 91 0.319 -2.515 4.712 651 HG23 ILE 91 3HG2 ILE 91 -1.254 -3.111 4.184 652 HD11 ILE 91 3HD1 ILE 91 -2.904 -5.382 6.061 653 HD12 ILE 91 1HD1 ILE 91 -2.377 -4.816 4.476 654 HD13 ILE 91 2HD1 ILE 91 -1.994 -6.456 4.999 655 HA PRO 92 HA PRO 92 -0.028 -4.248 11.244 656 HB2 PRO 92 1HB PRO 92 -2.448 -3.395 12.133 657 HB3 PRO 92 2HB PRO 92 -1.013 -2.363 12.115 658 HG2 PRO 92 1HG PRO 92 -3.281 -2.488 10.165 659 HG3 PRO 92 2HG PRO 92 -2.461 -1.067 10.838 660 HD2 PRO 92 1HD PRO 92 -1.919 -2.027 8.364 661 HD3 PRO 92 2HD PRO 92 -0.688 -1.241 9.374 662 H GLY 93 H GLY 93 -0.210 -6.419 10.950 663 HA2 GLY 93 1HA GLY 93 -2.014 -8.096 11.605 664 HA3 GLY 93 2HA GLY 93 -2.859 -7.476 10.194 665 H SER 94 H SER 94 0.053 -7.241 9.053 666 HA SER 94 HA SER 94 0.006 -9.924 7.889 667 HB2 SER 94 1HB SER 94 0.106 -8.439 6.122 668 HB3 SER 94 2HB SER 94 1.077 -7.272 7.020 669 HG SER 94 HG SER 94 2.844 -8.259 6.404 670 HA PRO 95 HA PRO 95 1.529 -10.990 6.483 671 HB2 PRO 95 1HB PRO 95 2.193 -13.583 6.942 672 HB3 PRO 95 2HB PRO 95 3.331 -12.402 6.284 673 HG2 PRO 95 1HG PRO 95 3.037 -13.386 9.096 674 HG3 PRO 95 2HG PRO 95 4.515 -13.106 8.158 675 HD2 PRO 95 1HD PRO 95 3.604 -11.343 10.000 676 HD3 PRO 95 2HD PRO 95 4.480 -10.834 8.542 677 H PHE 96 H PHE 96 -0.564 -11.454 6.278 678 HA PHE 96 HA PHE 96 -2.177 -12.149 8.515 679 HB2 PHE 96 1HB PHE 96 -2.665 -11.728 5.593 680 HB3 PHE 96 2HB PHE 96 -3.915 -12.496 6.566 681 HD1 PHE 96 2HD PHE 96 -1.871 -9.437 6.215 682 HD2 PHE 96 1HD PHE 96 -5.303 -11.234 7.979 683 HE1 PHE 96 2HE PHE 96 -2.643 -7.223 6.961 684 HE2 PHE 96 1HE PHE 96 -6.081 -9.023 8.727 685 HZ PHE 96 HZ PHE 96 -4.750 -7.014 8.219 686 H HIS 97 H HIS 97 -3.526 -14.029 8.730 687 HA HIS 97 HA HIS 97 -2.228 -16.444 7.665 688 HB2 HIS 97 1HB HIS 97 -2.193 -16.308 10.094 689 HB3 HIS 97 2HB HIS 97 -3.937 -16.065 10.133 690 HD1 HIS 97 1HD HIS 97 -4.803 -18.135 11.197 691 HD2 HIS 97 2HD HIS 97 -1.989 -18.954 8.253 692 HE1 HIS 97 1HE HIS 97 -4.774 -20.640 10.973 693 H VAL 98 H VAL 98 -3.285 -16.834 5.777 694 HA VAL 98 HA VAL 98 -6.220 -16.917 5.818 695 HB VAL 98 HB VAL 98 -4.288 -16.908 3.498 696 HG11 VAL 98 1HG1 VAL 98 -5.892 -17.701 2.185 697 HG12 VAL 98 2HG1 VAL 98 -6.908 -17.954 3.606 698 HG13 VAL 98 3HG1 VAL 98 -6.992 -16.431 2.721 699 HG21 VAL 98 3HG2 VAL 98 -4.661 -14.763 4.751 700 HG22 VAL 98 1HG2 VAL 98 -5.089 -14.713 3.041 701 HG23 VAL 98 2HG2 VAL 98 -6.353 -14.852 4.263 702 H THR 99 H THR 99 -7.106 -18.829 6.201 703 HA THR 99 HA THR 99 -5.622 -21.266 5.525 704 HB THR 99 HB THR 99 -8.065 -20.921 7.274 705 HG1 THR 99 1HG THR 99 -5.509 -21.702 8.177 706 HG21 THR 99 3HG2 THR 99 -8.323 -23.118 6.886 707 HG22 THR 99 1HG2 THR 99 -6.911 -23.321 7.922 708 HG23 THR 99 2HG2 THR 99 -6.720 -23.273 6.169 709 H VAL 100 H VAL 100 -6.416 -22.815 4.166 710 HA VAL 100 HA VAL 100 -8.985 -22.246 2.840 711 HB VAL 100 HB VAL 100 -6.413 -23.147 1.541 712 HG11 VAL 100 1HG1 VAL 100 -7.703 -23.219 -0.557 713 HG12 VAL 100 2HG1 VAL 100 -8.251 -24.423 0.612 714 HG13 VAL 100 3HG1 VAL 100 -9.182 -22.945 0.363 715 HG21 VAL 100 3HG2 VAL 100 -7.066 -21.085 0.089 716 HG22 VAL 100 1HG2 VAL 100 -8.034 -20.637 1.494 717 HG23 VAL 100 2HG2 VAL 100 -6.290 -20.842 1.654 718 HA PRO 101 HA PRO 101 -9.910 -26.399 4.076 719 HB2 PRO 101 1HB PRO 101 -12.223 -26.649 2.676 720 HB3 PRO 101 2HB PRO 101 -12.099 -25.710 4.169 721 HG2 PRO 101 1HG PRO 101 -12.060 -24.765 1.329 722 HG3 PRO 101 2HG PRO 101 -12.904 -24.073 2.726 723 HD2 PRO 101 1HD PRO 101 -10.573 -23.065 1.786 724 HD3 PRO 101 2HD PRO 101 -11.010 -23.017 3.507 Start of MODEL 6 1 H1 GLY 1 H GLY 1 14.292 17.186 -0.341 2 HA2 GLY 1 1HA GLY 1 15.086 19.227 0.463 3 HA3 GLY 1 2HA GLY 1 16.077 19.382 -0.980 4 H SER 2 H SER 2 15.358 20.583 -2.664 5 HA SER 2 HA SER 2 13.071 22.265 -2.188 6 HB2 SER 2 1HB SER 2 15.314 22.933 -3.289 7 HB3 SER 2 2HB SER 2 14.652 22.199 -4.750 8 HG SER 2 HG SER 2 12.739 23.663 -4.097 9 H SER 3 H SER 3 11.249 22.480 -3.541 10 HA SER 3 HA SER 3 9.398 21.539 -4.512 11 HB2 SER 3 1HB SER 3 11.553 20.834 -6.516 12 HB3 SER 3 2HB SER 3 9.823 20.756 -6.845 13 HG SER 3 HG SER 3 11.457 22.881 -6.918 14 H GLY 4 H GLY 4 10.302 19.885 -2.517 15 HA2 GLY 4 1HA GLY 4 9.671 17.241 -3.653 16 HA3 GLY 4 2HA GLY 4 11.025 17.419 -2.546 17 H SER 5 H SER 5 8.204 16.094 -2.550 18 HA SER 5 HA SER 5 7.231 17.233 -0.025 19 HB2 SER 5 1HB SER 5 5.174 15.914 -0.469 20 HB3 SER 5 2HB SER 5 5.542 17.044 -1.771 21 HG SER 5 HG SER 5 5.589 15.395 -3.053 22 H SER 6 H SER 6 6.832 15.920 1.779 23 HA SER 6 HA SER 6 8.652 13.688 2.023 24 HB2 SER 6 1HB SER 6 8.040 13.724 4.399 25 HB3 SER 6 2HB SER 6 8.456 15.343 3.839 26 HG SER 6 HG SER 6 6.598 15.715 4.836 27 H GLY 7 H GLY 7 7.883 11.686 3.194 28 HA2 GLY 7 1HA GLY 7 5.849 10.443 1.651 29 HA3 GLY 7 2HA GLY 7 6.662 9.744 3.043 30 H SER 8 H SER 8 5.969 11.314 5.105 31 HA SER 8 HA SER 8 4.297 11.308 6.686 32 HB2 SER 8 1HB SER 8 3.472 13.080 4.438 33 HB3 SER 8 2HB SER 8 2.284 12.762 5.702 34 HG SER 8 HG SER 8 4.000 13.405 7.204 35 H SER 9 H SER 9 4.229 8.879 5.520 36 HA SER 9 HA SER 9 1.343 8.348 5.296 37 HB2 SER 9 1HB SER 9 3.545 7.027 3.691 38 HB3 SER 9 2HB SER 9 1.850 6.541 3.677 39 HG SER 9 HG SER 9 2.628 8.047 1.969 40 H ASP 10 H ASP 10 0.609 6.912 6.716 41 HA ASP 10 HA ASP 10 2.570 5.219 8.118 42 HB2 ASP 10 1HB ASP 10 0.052 6.571 9.036 43 HB3 ASP 10 2HB ASP 10 0.648 5.144 9.879 44 H ALA 11 H ALA 11 2.018 3.064 8.606 45 HA ALA 11 HA ALA 11 0.137 1.897 6.697 46 HB1 ALA 11 3HB ALA 11 2.467 1.052 6.813 47 HB2 ALA 11 1HB ALA 11 2.144 0.494 8.455 48 HB3 ALA 11 2HB ALA 11 1.251 -0.194 7.098 49 H SER 12 H SER 12 0.843 1.913 10.169 50 HA SER 12 HA SER 12 -0.987 0.092 11.096 51 HB2 SER 12 1HB SER 12 -0.234 2.749 12.337 52 HB3 SER 12 2HB SER 12 -1.060 1.442 13.185 53 HG SER 12 HG SER 12 0.930 0.216 12.262 54 H LYS 13 H LYS 13 -1.572 3.252 9.775 55 HA LYS 13 HA LYS 13 -4.278 3.452 10.725 56 HB2 LYS 13 1HB LYS 13 -2.844 4.997 8.556 57 HB3 LYS 13 2HB LYS 13 -4.415 5.409 9.232 58 HG2 LYS 13 1HG LYS 13 -1.817 5.333 10.754 59 HG3 LYS 13 2HG LYS 13 -2.630 6.785 10.167 60 HD2 LYS 13 1HD LYS 13 -4.622 6.091 11.545 61 HD3 LYS 13 2HD LYS 13 -3.596 4.846 12.261 62 HE2 LYS 13 1HE LYS 13 -1.984 6.836 12.732 63 HE3 LYS 13 2HE LYS 13 -3.429 7.821 12.512 64 HZ1 LYS 13 3HZ LYS 13 -2.750 6.863 14.851 65 HZ2 LYS 13 1HZ LYS 13 -3.617 5.518 14.301 66 HZ3 LYS 13 2HZ LYS 13 -4.372 7.028 14.401 67 H VAL 14 H VAL 14 -2.670 2.225 7.880 68 HA VAL 14 HA VAL 14 -4.828 2.130 6.103 69 HB VAL 14 HB VAL 14 -2.388 0.382 6.361 70 HG11 VAL 14 1HG1 VAL 14 -4.794 -0.095 4.823 71 HG12 VAL 14 2HG1 VAL 14 -3.371 0.054 3.789 72 HG13 VAL 14 3HG1 VAL 14 -3.399 -1.140 5.088 73 HG21 VAL 14 3HG2 VAL 14 -1.811 1.580 4.219 74 HG22 VAL 14 1HG2 VAL 14 -3.193 2.631 4.530 75 HG23 VAL 14 2HG2 VAL 14 -1.846 2.586 5.667 76 H THR 15 H THR 15 -6.624 0.952 6.041 77 HA THR 15 HA THR 15 -6.828 -1.372 7.842 78 HB THR 15 HB THR 15 -9.285 -0.990 7.801 79 HG1 THR 15 1HG THR 15 -10.048 0.958 6.916 80 HG21 THR 15 3HG2 THR 15 -9.200 0.465 9.547 81 HG22 THR 15 1HG2 THR 15 -8.192 1.621 8.677 82 HG23 THR 15 2HG2 THR 15 -7.468 0.177 9.384 83 H SER 16 H SER 16 -7.917 -3.235 7.117 84 HA SER 16 HA SER 16 -8.458 -3.385 4.235 85 HB2 SER 16 1HB SER 16 -7.254 -5.482 4.038 86 HB3 SER 16 2HB SER 16 -6.166 -4.256 4.690 87 HG SER 16 HG SER 16 -6.456 -5.138 6.737 88 H LYS 17 H LYS 17 -10.139 -4.688 3.655 89 HA LYS 17 HA LYS 17 -11.425 -6.289 5.756 90 HB2 LYS 17 1HB LYS 17 -13.642 -5.488 4.931 91 HB3 LYS 17 2HB LYS 17 -12.677 -4.240 5.709 92 HG2 LYS 17 1HG LYS 17 -11.951 -3.522 3.410 93 HG3 LYS 17 2HG LYS 17 -13.176 -4.620 2.770 94 HD2 LYS 17 1HD LYS 17 -14.802 -3.366 4.325 95 HD3 LYS 17 2HD LYS 17 -13.542 -2.133 4.410 96 HE2 LYS 17 1HE LYS 17 -14.370 -3.133 1.732 97 HE3 LYS 17 2HE LYS 17 -15.456 -2.041 2.589 98 HZ1 LYS 17 3HZ LYS 17 -13.085 -0.809 2.865 99 HZ2 LYS 17 1HZ LYS 17 -14.210 -0.457 1.652 100 HZ3 LYS 17 2HZ LYS 17 -12.917 -1.498 1.330 101 H GLY 18 H GLY 18 -12.748 -8.017 4.989 102 HA2 GLY 18 1HA GLY 18 -13.662 -8.966 2.790 103 HA3 GLY 18 2HA GLY 18 -11.984 -8.880 2.276 104 H ALA 19 H ALA 19 -12.869 -11.269 1.995 105 HA ALA 19 HA ALA 19 -12.485 -12.811 4.446 106 HB1 ALA 19 3HB ALA 19 -14.210 -13.875 3.481 107 HB2 ALA 19 1HB ALA 19 -13.816 -13.269 1.872 108 HB3 ALA 19 2HB ALA 19 -12.959 -14.667 2.523 109 H GLY 20 H GLY 20 -11.101 -12.462 1.199 110 HA2 GLY 20 1HA GLY 20 -9.241 -14.428 1.081 111 HA3 GLY 20 2HA GLY 20 -8.920 -12.797 0.509 112 H LEU 21 H LEU 21 -9.168 -11.681 3.237 113 HA LEU 21 HA LEU 21 -6.427 -12.047 4.010 114 HB2 LEU 21 1HB LEU 21 -8.570 -10.536 5.488 115 HB3 LEU 21 2HB LEU 21 -6.825 -10.333 5.628 116 HG LEU 21 HG LEU 21 -8.112 -9.822 2.990 117 HD11 LEU 21 1HD1 LEU 21 -8.430 -7.437 3.736 118 HD12 LEU 21 2HD1 LEU 21 -8.285 -8.022 5.393 119 HD13 LEU 21 3HD1 LEU 21 -9.597 -8.599 4.366 120 HD21 LEU 21 3HD2 LEU 21 -6.091 -9.032 2.533 121 HD22 LEU 21 1HD2 LEU 21 -5.560 -9.523 4.142 122 HD23 LEU 21 2HD2 LEU 21 -6.194 -7.898 3.880 123 H SER 22 H SER 22 -9.569 -13.038 5.234 124 HA SER 22 HA SER 22 -8.460 -14.165 7.653 125 HB2 SER 22 1HB SER 22 -10.792 -13.159 7.440 126 HB3 SER 22 2HB SER 22 -11.239 -14.621 6.560 127 HG SER 22 HG SER 22 -11.641 -15.303 8.524 128 H LYS 23 H LYS 23 -10.108 -15.478 4.777 129 HA LYS 23 HA LYS 23 -8.367 -17.780 4.775 130 HB2 LYS 23 1HB LYS 23 -10.149 -19.441 4.954 131 HB3 LYS 23 2HB LYS 23 -10.064 -18.461 6.412 132 HG2 LYS 23 1HG LYS 23 -11.993 -17.207 5.763 133 HG3 LYS 23 2HG LYS 23 -12.020 -17.982 4.177 134 HD2 LYS 23 1HD LYS 23 -13.647 -19.157 5.336 135 HD3 LYS 23 2HD LYS 23 -12.224 -20.183 5.534 136 HE2 LYS 23 1HE LYS 23 -13.190 -20.056 7.672 137 HE3 LYS 23 2HE LYS 23 -11.827 -18.939 7.717 138 HZ1 LYS 23 3HZ LYS 23 -13.800 -17.977 8.726 139 HZ2 LYS 23 1HZ LYS 23 -14.665 -18.177 7.286 140 HZ3 LYS 23 2HZ LYS 23 -13.355 -17.109 7.344 141 H ALA 24 H ALA 24 -8.606 -19.087 2.862 142 HA ALA 24 HA ALA 24 -10.113 -17.750 0.711 143 HB1 ALA 24 3HB ALA 24 -7.281 -18.256 0.917 144 HB2 ALA 24 1HB ALA 24 -7.966 -19.038 -0.508 145 HB3 ALA 24 2HB ALA 24 -8.170 -17.302 -0.270 146 H PHE 25 H PHE 25 -10.245 -19.282 -1.275 147 HA PHE 25 HA PHE 25 -10.640 -22.063 -0.440 148 HB2 PHE 25 1HB PHE 25 -12.719 -20.330 -1.786 149 HB3 PHE 25 2HB PHE 25 -12.832 -22.082 -1.666 150 HD1 PHE 25 2HD PHE 25 -12.330 -19.091 0.502 151 HD2 PHE 25 1HD PHE 25 -13.992 -22.989 0.097 152 HE1 PHE 25 2HE PHE 25 -13.389 -18.865 2.711 153 HE2 PHE 25 1HE PHE 25 -15.055 -22.769 2.306 154 HZ PHE 25 HZ PHE 25 -14.753 -20.705 3.616 155 H VAL 26 H VAL 26 -10.263 -23.570 -2.011 156 HA VAL 26 HA VAL 26 -8.637 -22.863 -4.189 157 HB VAL 26 HB VAL 26 -10.172 -25.424 -3.722 158 HG11 VAL 26 1HG1 VAL 26 -7.855 -25.940 -5.195 159 HG12 VAL 26 2HG1 VAL 26 -9.523 -26.018 -5.765 160 HG13 VAL 26 3HG1 VAL 26 -8.592 -24.532 -5.959 161 HG21 VAL 26 3HG2 VAL 26 -7.245 -25.218 -3.309 162 HG22 VAL 26 1HG2 VAL 26 -8.286 -24.452 -2.109 163 HG23 VAL 26 2HG2 VAL 26 -8.448 -26.176 -2.446 164 H GLY 27 H GLY 27 -9.032 -22.481 -6.307 165 HA2 GLY 27 1HA GLY 27 -10.212 -22.283 -8.290 166 HA3 GLY 27 2HA GLY 27 -11.559 -23.117 -7.531 167 H GLN 28 H GLN 28 -12.129 -21.487 -5.403 168 HA GLN 28 HA GLN 28 -13.759 -19.540 -6.511 169 HB2 GLN 28 1HB GLN 28 -12.628 -19.826 -3.732 170 HB3 GLN 28 2HB GLN 28 -13.782 -18.568 -4.156 171 HG2 GLN 28 1HG GLN 28 -15.281 -20.456 -4.979 172 HG3 GLN 28 2HG GLN 28 -14.186 -21.537 -4.118 173 HE21 GLN 28 1HE2 GLN 28 -16.010 -18.538 -3.602 174 HE22 GLN 28 2HE2 GLN 28 -16.507 -18.915 -1.991 175 H LYS 29 H LYS 29 -13.529 -17.137 -5.503 176 HA LYS 29 HA LYS 29 -10.861 -16.163 -6.289 177 HB2 LYS 29 1HB LYS 29 -12.950 -15.782 -7.863 178 HB3 LYS 29 2HB LYS 29 -13.289 -14.479 -6.732 179 HG2 LYS 29 1HG LYS 29 -11.123 -13.486 -7.186 180 HG3 LYS 29 2HG LYS 29 -10.724 -14.819 -8.273 181 HD2 LYS 29 1HD LYS 29 -12.872 -14.141 -9.531 182 HD3 LYS 29 2HD LYS 29 -12.738 -12.626 -8.634 183 HE2 LYS 29 1HE LYS 29 -11.570 -12.103 -10.539 184 HE3 LYS 29 2HE LYS 29 -10.267 -12.689 -9.506 185 HZ1 LYS 29 3HZ LYS 29 -9.798 -14.114 -11.122 186 HZ2 LYS 29 1HZ LYS 29 -11.204 -13.730 -11.980 187 HZ3 LYS 29 2HZ LYS 29 -11.245 -14.919 -10.778 188 H SER 30 H SER 30 -9.928 -15.534 -4.446 189 HA SER 30 HA SER 30 -11.482 -14.368 -2.299 190 HB2 SER 30 1HB SER 30 -8.665 -15.304 -2.631 191 HB3 SER 30 2HB SER 30 -9.014 -14.141 -1.352 192 HG SER 30 HG SER 30 -9.864 -16.789 -1.643 193 H SER 31 H SER 31 -11.872 -12.274 -2.099 194 HA SER 31 HA SER 31 -10.007 -10.367 -3.352 195 HB2 SER 31 1HB SER 31 -11.781 -9.026 -4.106 196 HB3 SER 31 2HB SER 31 -12.344 -10.666 -4.428 197 HG SER 31 HG SER 31 -13.009 -9.101 -2.153 198 H PHE 32 H PHE 32 -9.696 -8.374 -2.290 199 HA PHE 32 HA PHE 32 -10.896 -7.958 0.314 200 HB2 PHE 32 1HB PHE 32 -8.726 -7.818 1.483 201 HB3 PHE 32 2HB PHE 32 -9.044 -9.440 0.876 202 HD1 PHE 32 2HD PHE 32 -7.749 -10.362 -0.951 203 HD2 PHE 32 1HD PHE 32 -6.969 -6.456 0.551 204 HE1 PHE 32 2HE PHE 32 -5.585 -10.347 -2.122 205 HE2 PHE 32 1HE PHE 32 -4.804 -6.435 -0.618 206 HZ PHE 32 HZ PHE 32 -4.109 -8.383 -1.956 207 H LEU 33 H LEU 33 -11.033 -5.840 0.822 208 HA LEU 33 HA LEU 33 -9.820 -3.948 -1.063 209 HB2 LEU 33 1HB LEU 33 -12.346 -4.076 -0.566 210 HB3 LEU 33 2HB LEU 33 -11.938 -3.275 0.950 211 HG LEU 33 HG LEU 33 -12.764 -1.738 -0.815 212 HD11 LEU 33 1HD1 LEU 33 -11.534 -0.104 0.078 213 HD12 LEU 33 2HD1 LEU 33 -10.024 -0.791 -0.520 214 HD13 LEU 33 3HD1 LEU 33 -10.726 -1.382 0.986 215 HD21 LEU 33 3HD2 LEU 33 -11.443 -1.241 -2.737 216 HD22 LEU 33 1HD2 LEU 33 -11.698 -2.986 -2.704 217 HD23 LEU 33 2HD2 LEU 33 -10.149 -2.312 -2.197 218 H VAL 34 H VAL 34 -8.648 -2.168 -0.372 219 HA VAL 34 HA VAL 34 -7.897 -2.136 2.477 220 HB VAL 34 HB VAL 34 -6.043 -1.691 0.132 221 HG11 VAL 34 1HG1 VAL 34 -4.662 -2.010 2.586 222 HG12 VAL 34 2HG1 VAL 34 -4.709 -0.599 1.528 223 HG13 VAL 34 3HG1 VAL 34 -5.898 -0.774 2.819 224 HG21 VAL 34 3HG2 VAL 34 -4.957 -3.716 1.548 225 HG22 VAL 34 1HG2 VAL 34 -6.673 -4.028 1.811 226 HG23 VAL 34 2HG2 VAL 34 -6.032 -3.948 0.169 227 H ASP 35 H ASP 35 -8.629 -0.311 3.334 228 HA ASP 35 HA ASP 35 -9.008 2.056 1.701 229 HB2 ASP 35 1HB ASP 35 -9.796 1.224 4.462 230 HB3 ASP 35 2HB ASP 35 -9.752 2.942 4.077 231 H CYS 36 H CYS 36 -7.789 3.862 1.734 232 HA CYS 36 HA CYS 36 -5.645 4.059 3.733 233 HB2 CYS 36 1HB CYS 36 -5.391 4.321 0.739 234 HB3 CYS 36 2HB CYS 36 -4.196 4.985 1.846 235 HG CYS 36 HG CYS 36 -4.753 1.790 0.961 236 H SER 37 H SER 37 -8.223 5.371 3.585 237 HA SER 37 HA SER 37 -8.098 7.956 2.530 238 HB2 SER 37 1HB SER 37 -9.730 6.597 4.614 239 HB3 SER 37 2HB SER 37 -9.742 8.360 4.606 240 HG SER 37 HG SER 37 -10.050 7.149 2.139 241 H LYS 38 H LYS 38 -7.508 6.901 5.885 242 HA LYS 38 HA LYS 38 -6.038 9.408 6.336 243 HB2 LYS 38 1HB LYS 38 -7.256 7.479 8.320 244 HB3 LYS 38 2HB LYS 38 -6.354 8.927 8.749 245 HG2 LYS 38 1HG LYS 38 -8.026 10.348 7.951 246 HG3 LYS 38 2HG LYS 38 -8.797 9.063 7.019 247 HD2 LYS 38 1HD LYS 38 -9.067 7.970 9.407 248 HD3 LYS 38 2HD LYS 38 -8.935 9.648 9.936 249 HE2 LYS 38 1HE LYS 38 -10.732 10.130 8.163 250 HE3 LYS 38 2HE LYS 38 -11.003 8.388 8.165 251 HZ1 LYS 38 3HZ LYS 38 -10.929 9.320 10.819 252 HZ2 LYS 38 1HZ LYS 38 -12.212 8.592 9.991 253 HZ3 LYS 38 2HZ LYS 38 -12.018 10.271 9.941 254 H ALA 39 H ALA 39 -4.924 7.113 4.948 255 HA ALA 39 HA ALA 39 -2.979 6.070 6.876 256 HB1 ALA 39 3HB ALA 39 -2.314 4.695 4.757 257 HB2 ALA 39 1HB ALA 39 -3.757 4.269 5.677 258 HB3 ALA 39 2HB ALA 39 -3.905 5.191 4.180 259 H GLY 40 H GLY 40 -2.873 7.238 3.498 260 HA2 GLY 40 1HA GLY 40 -1.166 9.346 3.746 261 HA3 GLY 40 2HA GLY 40 -0.096 7.952 3.750 262 H SER 41 H SER 41 0.214 9.780 1.788 263 HA SER 41 HA SER 41 -1.258 8.898 -0.561 264 HB2 SER 41 1HB SER 41 -0.066 10.694 -1.730 265 HB3 SER 41 2HB SER 41 -0.807 11.303 -0.250 266 HG SER 41 HG SER 41 1.106 11.697 0.548 267 H ASN 42 H ASN 42 0.354 6.920 0.643 268 HA ASN 42 HA ASN 42 2.741 6.694 -1.008 269 HB2 ASN 42 1HB ASN 42 1.670 5.287 1.389 270 HB3 ASN 42 2HB ASN 42 2.742 4.380 0.326 271 HD21 ASN 42 1HD2 ASN 42 3.881 4.491 2.523 272 HD22 ASN 42 2HD2 ASN 42 5.023 5.774 2.708 273 H MET 43 H MET 43 3.031 4.136 -1.611 274 HA MET 43 HA MET 43 0.787 3.598 -3.430 275 HB2 MET 43 1HB MET 43 2.335 2.434 -4.841 276 HB3 MET 43 2HB MET 43 3.057 3.980 -4.414 277 HG2 MET 43 1HG MET 43 4.843 2.604 -4.116 278 HG3 MET 43 2HG MET 43 4.157 2.575 -2.494 279 HE1 MET 43 3HE MET 43 4.302 -0.639 -5.660 280 HE2 MET 43 1HE MET 43 2.739 0.177 -5.703 281 HE3 MET 43 2HE MET 43 4.225 1.109 -5.891 282 H LEU 44 H LEU 44 -0.072 1.519 -3.629 283 HA LEU 44 HA LEU 44 0.460 -0.230 -1.324 284 HB2 LEU 44 1HB LEU 44 -1.849 0.803 -1.727 285 HB3 LEU 44 2HB LEU 44 -1.982 -0.334 -3.067 286 HG LEU 44 HG LEU 44 -1.532 -2.153 -1.315 287 HD11 LEU 44 1HD1 LEU 44 -2.461 -1.389 0.955 288 HD12 LEU 44 2HD1 LEU 44 -2.038 0.237 0.419 289 HD13 LEU 44 3HD1 LEU 44 -0.786 -0.997 0.562 290 HD21 LEU 44 3HD2 LEU 44 -3.885 -2.270 -0.733 291 HD22 LEU 44 1HD2 LEU 44 -3.694 -1.766 -2.413 292 HD23 LEU 44 2HD2 LEU 44 -4.100 -0.575 -1.176 293 H LEU 45 H LEU 45 1.617 -1.978 -1.758 294 HA LEU 45 HA LEU 45 1.277 -3.278 -4.380 295 HB2 LEU 45 1HB LEU 45 3.571 -3.770 -4.499 296 HB3 LEU 45 2HB LEU 45 3.465 -2.071 -4.045 297 HG LEU 45 HG LEU 45 5.238 -3.055 -2.796 298 HD11 LEU 45 1HD1 LEU 45 3.006 -3.013 -0.805 299 HD12 LEU 45 2HD1 LEU 45 3.478 -1.543 -1.657 300 HD13 LEU 45 3HD1 LEU 45 4.652 -2.396 -0.656 301 HD21 LEU 45 3HD2 LEU 45 3.989 -5.406 -3.047 302 HD22 LEU 45 1HD2 LEU 45 3.527 -5.016 -1.390 303 HD23 LEU 45 2HD2 LEU 45 5.233 -5.105 -1.832 304 H ILE 46 H ILE 46 2.045 -5.612 -4.322 305 HA ILE 46 HA ILE 46 1.411 -6.856 -1.730 306 HB ILE 46 HB ILE 46 0.483 -7.909 -4.403 307 HG12 ILE 46 1HG1 ILE 46 -0.652 -5.785 -3.670 308 HG13 ILE 46 2HG1 ILE 46 -1.726 -7.170 -3.839 309 HG21 ILE 46 1HG2 ILE 46 0.568 -9.788 -3.120 310 HG22 ILE 46 2HG2 ILE 46 0.370 -8.900 -1.610 311 HG23 ILE 46 3HG2 ILE 46 -1.025 -9.198 -2.646 312 HD11 ILE 46 3HD1 ILE 46 -1.506 -7.502 -1.360 313 HD12 ILE 46 1HD1 ILE 46 -0.685 -5.942 -1.305 314 HD13 ILE 46 2HD1 ILE 46 -2.355 -6.041 -1.865 315 H GLY 47 H GLY 47 2.438 -8.822 -1.281 316 HA2 GLY 47 1HA GLY 47 4.547 -9.618 -3.186 317 HA3 GLY 47 2HA GLY 47 4.909 -9.387 -1.482 318 H VAL 48 H VAL 48 2.283 -11.030 -3.248 319 HA VAL 48 HA VAL 48 1.744 -13.034 -1.483 320 HB VAL 48 HB VAL 48 1.164 -14.462 -3.501 321 HG11 VAL 48 1HG1 VAL 48 -0.267 -12.092 -4.198 322 HG12 VAL 48 2HG1 VAL 48 -0.818 -13.488 -3.271 323 HG13 VAL 48 3HG1 VAL 48 -0.038 -12.136 -2.450 324 HG21 VAL 48 3HG2 VAL 48 1.490 -12.094 -5.237 325 HG22 VAL 48 1HG2 VAL 48 2.959 -12.982 -4.834 326 HG23 VAL 48 2HG2 VAL 48 1.617 -13.810 -5.621 327 H HIS 49 H HIS 49 2.756 -14.766 -0.697 328 HA HIS 49 HA HIS 49 5.470 -15.261 -1.156 329 HB2 HIS 49 1HB HIS 49 5.187 -17.244 0.208 330 HB3 HIS 49 2HB HIS 49 4.237 -15.930 0.894 331 HD1 HIS 49 1HD HIS 49 1.590 -16.035 0.273 332 HD2 HIS 49 2HD HIS 49 3.783 -19.526 -0.243 333 HE1 HIS 49 1HE HIS 49 -0.109 -17.886 0.159 334 H GLY 50 H GLY 50 6.510 -17.126 -2.086 335 HA2 GLY 50 1HA GLY 50 4.971 -18.732 -3.961 336 HA3 GLY 50 2HA GLY 50 6.141 -17.636 -4.680 337 HA PRO 51 HA PRO 51 8.844 -20.655 -2.086 338 HB2 PRO 51 1HB PRO 51 7.576 -22.584 -0.657 339 HB3 PRO 51 2HB PRO 51 7.931 -20.981 -0.003 340 HG2 PRO 51 1HG PRO 51 5.373 -22.037 -1.144 341 HG3 PRO 51 2HG PRO 51 5.627 -21.041 0.301 342 HD2 PRO 51 1HD PRO 51 4.798 -20.001 -2.058 343 HD3 PRO 51 2HD PRO 51 5.815 -19.095 -0.919 344 H THR 52 H THR 52 5.845 -22.377 -2.975 345 HA THR 52 HA THR 52 7.429 -23.996 -4.853 346 HB THR 52 HB THR 52 6.016 -25.962 -4.303 347 HG1 THR 52 1HG THR 52 4.227 -25.228 -3.317 348 HG21 THR 52 3HG2 THR 52 7.084 -26.473 -2.133 349 HG22 THR 52 1HG2 THR 52 7.562 -24.782 -1.992 350 HG23 THR 52 2HG2 THR 52 8.215 -25.777 -3.294 351 H THR 53 H THR 53 4.058 -23.348 -3.871 352 HA THR 53 HA THR 53 3.402 -22.978 -6.719 353 HB THR 53 HB THR 53 1.548 -24.250 -4.701 354 HG1 THR 53 1HG THR 53 3.619 -25.322 -6.074 355 HG21 THR 53 3HG2 THR 53 0.007 -24.421 -6.365 356 HG22 THR 53 1HG2 THR 53 1.227 -24.588 -7.627 357 HG23 THR 53 2HG2 THR 53 0.855 -22.996 -6.966 358 HA PRO 54 HA PRO 54 2.196 -19.129 -4.573 359 HB2 PRO 54 1HB PRO 54 2.538 -17.562 -6.763 360 HB3 PRO 54 2HB PRO 54 3.869 -18.027 -5.697 361 HG2 PRO 54 1HG PRO 54 3.052 -19.197 -8.329 362 HG3 PRO 54 2HG PRO 54 4.677 -18.824 -7.727 363 HD2 PRO 54 1HD PRO 54 3.657 -21.332 -7.706 364 HD3 PRO 54 2HD PRO 54 4.792 -20.752 -6.470 365 H CYS 55 H CYS 55 0.799 -17.242 -5.873 366 HA CYS 55 HA CYS 55 -1.742 -18.526 -6.297 367 HB2 CYS 55 1HB CYS 55 -2.644 -16.263 -6.404 368 HB3 CYS 55 2HB CYS 55 -1.559 -16.419 -5.027 369 HG CYS 55 HG CYS 55 -0.397 -15.141 -7.960 370 H GLU 56 H GLU 56 -3.082 -18.238 -8.158 371 HA GLU 56 HA GLU 56 -1.751 -18.709 -10.596 372 HB2 GLU 56 1HB GLU 56 -4.592 -18.226 -9.803 373 HB3 GLU 56 2HB GLU 56 -4.167 -18.183 -11.509 374 HG2 GLU 56 1HG GLU 56 -3.353 -20.501 -9.811 375 HG3 GLU 56 2HG GLU 56 -4.991 -20.391 -10.454 376 H GLU 57 H GLU 57 -3.250 -15.825 -9.227 377 HA GLU 57 HA GLU 57 -1.633 -14.075 -10.751 378 HB2 GLU 57 1HB GLU 57 -3.340 -13.042 -12.158 379 HB3 GLU 57 2HB GLU 57 -3.145 -14.742 -12.563 380 HG2 GLU 57 1HG GLU 57 -5.132 -15.180 -11.050 381 HG3 GLU 57 2HG GLU 57 -5.390 -13.436 -11.063 382 H VAL 58 H VAL 58 -2.359 -11.750 -10.471 383 HA VAL 58 HA VAL 58 -4.006 -11.374 -8.073 384 HB VAL 58 HB VAL 58 -1.280 -10.122 -8.430 385 HG11 VAL 58 1HG1 VAL 58 -3.540 -9.376 -6.860 386 HG12 VAL 58 2HG1 VAL 58 -2.245 -9.904 -5.784 387 HG13 VAL 58 3HG1 VAL 58 -1.953 -8.612 -6.949 388 HG21 VAL 58 3HG2 VAL 58 -1.847 -11.890 -6.135 389 HG22 VAL 58 1HG2 VAL 58 -1.685 -12.676 -7.705 390 HG23 VAL 58 2HG2 VAL 58 -0.368 -11.687 -7.074 391 H SER 59 H SER 59 -5.619 -10.159 -8.835 392 HA SER 59 HA SER 59 -5.110 -8.120 -10.848 393 HB2 SER 59 1HB SER 59 -7.071 -9.390 -11.275 394 HB3 SER 59 2HB SER 59 -7.629 -9.230 -9.609 395 HG SER 59 HG SER 59 -8.705 -7.589 -10.351 396 H MET 60 H MET 60 -4.215 -6.323 -10.022 397 HA MET 60 HA MET 60 -5.403 -5.173 -7.588 398 HB2 MET 60 1HB MET 60 -2.711 -4.562 -8.819 399 HB3 MET 60 2HB MET 60 -3.321 -3.956 -7.285 400 HG2 MET 60 1HG MET 60 -3.178 -6.076 -6.273 401 HG3 MET 60 2HG MET 60 -2.955 -6.884 -7.823 402 HE1 MET 60 3HE MET 60 -1.242 -4.531 -5.113 403 HE2 MET 60 1HE MET 60 0.226 -4.092 -5.986 404 HE3 MET 60 2HE MET 60 -1.347 -3.569 -6.588 405 H LYS 61 H LYS 61 -6.583 -3.390 -7.778 406 HA LYS 61 HA LYS 61 -6.023 -1.476 -9.902 407 HB2 LYS 61 1HB LYS 61 -8.482 -3.142 -9.713 408 HB3 LYS 61 2HB LYS 61 -8.679 -1.454 -10.168 409 HG2 LYS 61 1HG LYS 61 -6.733 -3.249 -11.576 410 HG3 LYS 61 2HG LYS 61 -8.435 -3.169 -12.037 411 HD2 LYS 61 1HD LYS 61 -8.137 -0.672 -12.248 412 HD3 LYS 61 2HD LYS 61 -6.402 -0.945 -12.068 413 HE2 LYS 61 1HE LYS 61 -6.754 -2.655 -14.002 414 HE3 LYS 61 2HE LYS 61 -8.230 -1.738 -14.298 415 HZ1 LYS 61 3HZ LYS 61 -5.633 -0.363 -14.045 416 HZ2 LYS 61 1HZ LYS 61 -7.043 0.162 -14.819 417 HZ3 LYS 61 2HZ LYS 61 -6.099 -1.055 -15.516 418 H HIS 62 H HIS 62 -6.371 0.589 -9.291 419 HA HIS 62 HA HIS 62 -7.247 1.038 -6.555 420 HB2 HIS 62 1HB HIS 62 -5.233 2.174 -7.156 421 HB3 HIS 62 2HB HIS 62 -5.961 2.823 -8.622 422 HD1 HIS 62 1HD HIS 62 -6.232 5.256 -8.333 423 HD2 HIS 62 2HD HIS 62 -7.110 3.186 -4.839 424 HE1 HIS 62 1HE HIS 62 -6.972 7.004 -6.684 425 H VAL 63 H VAL 63 -9.493 0.498 -7.006 426 HA VAL 63 HA VAL 63 -11.208 1.627 -8.793 427 HB VAL 63 HB VAL 63 -12.952 1.542 -6.916 428 HG11 VAL 63 1HG1 VAL 63 -11.359 -0.714 -8.011 429 HG12 VAL 63 2HG1 VAL 63 -12.547 -1.068 -6.755 430 HG13 VAL 63 3HG1 VAL 63 -13.054 -0.300 -8.260 431 HG21 VAL 63 3HG2 VAL 63 -12.399 0.746 -4.824 432 HG22 VAL 63 1HG2 VAL 63 -10.898 0.010 -5.385 433 HG23 VAL 63 2HG2 VAL 63 -11.003 1.759 -5.190 434 H GLY 64 H GLY 64 -9.579 3.217 -6.198 435 HA2 GLY 64 1HA GLY 64 -9.330 5.616 -6.293 436 HA3 GLY 64 2HA GLY 64 -10.969 5.713 -6.921 437 H ASN 65 H ASN 65 -10.960 7.388 -5.125 438 HA ASN 65 HA ASN 65 -11.623 8.086 -3.061 439 HB2 ASN 65 1HB ASN 65 -13.170 5.588 -3.558 440 HB3 ASN 65 2HB ASN 65 -13.231 6.280 -1.940 441 HD21 ASN 65 1HD2 ASN 65 -13.788 6.958 -5.343 442 HD22 ASN 65 2HD2 ASN 65 -14.966 8.197 -5.092 443 H GLN 66 H GLN 66 -9.121 6.609 -3.235 444 HA GLN 66 HA GLN 66 -7.490 5.890 -1.821 445 HB2 GLN 66 1HB GLN 66 -9.469 6.310 0.419 446 HB3 GLN 66 2HB GLN 66 -7.716 6.253 0.542 447 HG2 GLN 66 1HG GLN 66 -9.240 8.359 -0.971 448 HG3 GLN 66 2HG GLN 66 -8.680 8.533 0.692 449 HE21 GLN 66 1HE2 GLN 66 -7.897 8.859 -2.573 450 HE22 GLN 66 2HE2 GLN 66 -6.217 9.219 -2.391 451 H GLN 67 H GLN 67 -9.510 4.087 -2.976 452 HA GLN 67 HA GLN 67 -9.286 1.873 -1.044 453 HB2 GLN 67 1HB GLN 67 -11.409 2.271 -3.159 454 HB3 GLN 67 2HB GLN 67 -11.301 0.906 -2.055 455 HG2 GLN 67 1HG GLN 67 -11.591 2.468 -0.162 456 HG3 GLN 67 2HG GLN 67 -11.816 3.778 -1.321 457 HE21 GLN 67 1HE2 GLN 67 -13.652 2.781 0.688 458 HE22 GLN 67 2HE2 GLN 67 -15.074 2.281 -0.155 459 H TYR 68 H TYR 68 -8.230 0.095 -1.681 460 HA TYR 68 HA TYR 68 -7.485 -0.108 -4.526 461 HB2 TYR 68 1HB TYR 68 -5.911 -0.880 -2.064 462 HB3 TYR 68 2HB TYR 68 -5.441 -1.316 -3.703 463 HD1 TYR 68 1HD TYR 68 -5.778 1.438 -1.302 464 HD2 TYR 68 2HD TYR 68 -4.541 0.337 -5.221 465 HE1 TYR 68 1HE TYR 68 -4.607 3.589 -1.530 466 HE2 TYR 68 2HE TYR 68 -3.366 2.484 -5.460 467 HH TYR 68 HH TYR 68 -2.338 4.259 -3.396 468 H ASN 69 H ASN 69 -8.502 -1.721 -5.498 469 HA ASN 69 HA ASN 69 -9.500 -3.974 -3.953 470 HB2 ASN 69 1HB ASN 69 -10.712 -2.637 -5.886 471 HB3 ASN 69 2HB ASN 69 -9.844 -3.773 -6.915 472 HD21 ASN 69 1HD2 ASN 69 -9.924 -5.920 -4.982 473 HD22 ASN 69 2HD2 ASN 69 -11.548 -6.510 -4.971 474 H VAL 70 H VAL 70 -8.412 -5.808 -3.754 475 HA VAL 70 HA VAL 70 -6.588 -6.624 -5.912 476 HB VAL 70 HB VAL 70 -5.957 -6.826 -2.964 477 HG11 VAL 70 1HG1 VAL 70 -5.000 -8.689 -4.080 478 HG12 VAL 70 2HG1 VAL 70 -4.460 -7.688 -5.430 479 HG13 VAL 70 3HG1 VAL 70 -3.702 -7.519 -3.846 480 HG21 VAL 70 3HG2 VAL 70 -4.375 -5.106 -3.247 481 HG22 VAL 70 1HG2 VAL 70 -4.505 -5.165 -5.005 482 HG23 VAL 70 2HG2 VAL 70 -5.837 -4.523 -4.043 483 H THR 71 H THR 71 -7.207 -8.525 -6.674 484 HA THR 71 HA THR 71 -8.321 -10.506 -4.799 485 HB THR 71 HB THR 71 -9.188 -10.489 -7.663 486 HG1 THR 71 1HG THR 71 -9.509 -8.358 -6.370 487 HG21 THR 71 3HG2 THR 71 -11.202 -11.497 -6.717 488 HG22 THR 71 1HG2 THR 71 -10.559 -11.280 -5.090 489 HG23 THR 71 2HG2 THR 71 -9.763 -12.383 -6.212 490 H TYR 72 H TYR 72 -7.824 -12.677 -5.193 491 HA TYR 72 HA TYR 72 -5.928 -13.257 -7.347 492 HB2 TYR 72 1HB TYR 72 -4.452 -14.472 -5.766 493 HB3 TYR 72 2HB TYR 72 -4.514 -12.743 -5.444 494 HD1 TYR 72 1HD TYR 72 -5.968 -15.988 -4.342 495 HD2 TYR 72 2HD TYR 72 -5.043 -11.966 -3.306 496 HE1 TYR 72 1HE TYR 72 -6.590 -16.452 -2.008 497 HE2 TYR 72 2HE TYR 72 -5.661 -12.420 -0.969 498 HH TYR 72 HH TYR 72 -7.386 -14.366 0.132 499 H VAL 73 H VAL 73 -5.399 -15.732 -7.249 500 HA VAL 73 HA VAL 73 -7.777 -17.261 -6.464 501 HB VAL 73 HB VAL 73 -6.539 -17.246 -9.216 502 HG11 VAL 73 1HG1 VAL 73 -6.892 -19.476 -9.119 503 HG12 VAL 73 2HG1 VAL 73 -8.049 -19.346 -7.793 504 HG13 VAL 73 3HG1 VAL 73 -8.558 -19.002 -9.447 505 HG21 VAL 73 3HG2 VAL 73 -8.145 -15.617 -9.291 506 HG22 VAL 73 1HG2 VAL 73 -9.127 -17.028 -9.684 507 HG23 VAL 73 2HG2 VAL 73 -9.134 -16.378 -8.045 508 H VAL 74 H VAL 74 -7.284 -19.117 -5.486 509 HA VAL 74 HA VAL 74 -4.527 -20.128 -5.745 510 HB VAL 74 HB VAL 74 -4.778 -21.097 -3.510 511 HG11 VAL 74 1HG1 VAL 74 -5.486 -18.166 -3.512 512 HG12 VAL 74 2HG1 VAL 74 -4.644 -19.053 -2.240 513 HG13 VAL 74 3HG1 VAL 74 -3.872 -18.811 -3.807 514 HG21 VAL 74 3HG2 VAL 74 -7.082 -19.640 -2.619 515 HG22 VAL 74 1HG2 VAL 74 -7.517 -20.684 -3.972 516 HG23 VAL 74 2HG2 VAL 74 -6.758 -21.371 -2.537 517 H LYS 75 H LYS 75 -4.186 -22.249 -6.205 518 HA LYS 75 HA LYS 75 -6.577 -23.855 -6.811 519 HB2 LYS 75 1HB LYS 75 -3.781 -24.012 -7.951 520 HB3 LYS 75 2HB LYS 75 -5.083 -25.127 -8.345 521 HG2 LYS 75 1HG LYS 75 -5.554 -22.218 -8.726 522 HG3 LYS 75 2HG LYS 75 -4.521 -23.067 -9.879 523 HD2 LYS 75 1HD LYS 75 -6.635 -23.252 -10.830 524 HD3 LYS 75 2HD LYS 75 -6.445 -24.789 -9.982 525 HE2 LYS 75 1HE LYS 75 -7.910 -24.176 -8.286 526 HE3 LYS 75 2HE LYS 75 -7.733 -22.455 -8.621 527 HZ1 LYS 75 3HZ LYS 75 -9.825 -23.899 -9.401 528 HZ2 LYS 75 1HZ LYS 75 -8.848 -24.049 -10.774 529 HZ3 LYS 75 2HZ LYS 75 -9.295 -22.516 -10.218 530 H GLU 76 H GLU 76 -4.075 -23.551 -4.622 531 HA GLU 76 HA GLU 76 -4.331 -26.380 -3.838 532 HB2 GLU 76 1HB GLU 76 -2.030 -25.426 -4.732 533 HB3 GLU 76 2HB GLU 76 -1.901 -24.818 -3.087 534 HG2 GLU 76 1HG GLU 76 -2.487 -27.273 -2.437 535 HG3 GLU 76 2HG GLU 76 -1.928 -27.629 -4.070 536 H ARG 77 H ARG 77 -4.164 -26.806 -1.548 537 HA ARG 77 HA ARG 77 -5.227 -24.577 0.037 538 HB2 ARG 77 1HB ARG 77 -5.220 -27.436 0.945 539 HB3 ARG 77 2HB ARG 77 -6.320 -26.137 1.386 540 HG2 ARG 77 1HG ARG 77 -7.700 -27.255 -0.001 541 HG3 ARG 77 2HG ARG 77 -6.871 -26.287 -1.223 542 HD2 ARG 77 1HD ARG 77 -6.627 -28.340 -2.172 543 HD3 ARG 77 2HD ARG 77 -5.188 -28.337 -1.153 544 HE ARG 77 HE ARG 77 -7.119 -29.423 0.428 545 HH11 ARG 77 1HH1 ARG 77 -5.868 -30.139 -2.741 546 HH12 ARG 77 2HH1 ARG 77 -6.185 -31.839 -2.624 547 HH21 ARG 77 1HH2 ARG 77 -7.540 -31.658 0.594 548 HH22 ARG 77 2HH2 ARG 77 -7.137 -32.702 -0.727 549 H GLY 78 H GLY 78 -4.683 -24.954 2.513 550 HA2 GLY 78 1HA GLY 78 -2.813 -25.841 3.932 551 HA3 GLY 78 2HA GLY 78 -1.747 -25.253 2.665 552 H ASP 79 H ASP 79 -0.964 -24.279 4.864 553 HA ASP 79 HA ASP 79 -2.390 -21.979 5.801 554 HB2 ASP 79 1HB ASP 79 0.534 -22.471 6.296 555 HB3 ASP 79 2HB ASP 79 -0.650 -21.702 7.349 556 H TYR 80 H TYR 80 -2.693 -20.462 4.241 557 HA TYR 80 HA TYR 80 -0.534 -19.653 2.500 558 HB2 TYR 80 1HB TYR 80 -3.432 -19.005 2.757 559 HB3 TYR 80 2HB TYR 80 -2.396 -17.836 1.946 560 HD1 TYR 80 1HD TYR 80 -3.002 -21.530 1.931 561 HD2 TYR 80 2HD TYR 80 -2.215 -18.020 -0.342 562 HE1 TYR 80 1HE TYR 80 -3.152 -22.846 -0.142 563 HE2 TYR 80 2HE TYR 80 -2.364 -19.326 -2.421 564 HH TYR 80 HH TYR 80 -2.431 -21.414 -3.283 565 H VAL 81 H VAL 81 0.503 -17.668 2.489 566 HA VAL 81 HA VAL 81 0.158 -16.034 4.919 567 HB VAL 81 HB VAL 81 2.738 -16.611 3.455 568 HG11 VAL 81 1HG1 VAL 81 2.171 -14.314 4.739 569 HG12 VAL 81 2HG1 VAL 81 2.758 -15.287 6.090 570 HG13 VAL 81 3HG1 VAL 81 3.783 -15.027 4.677 571 HG21 VAL 81 3HG2 VAL 81 1.378 -17.930 5.646 572 HG22 VAL 81 1HG2 VAL 81 2.794 -18.440 4.727 573 HG23 VAL 81 2HG2 VAL 81 2.982 -17.367 6.114 574 H LEU 82 H LEU 82 -0.968 -14.317 4.187 575 HA LEU 82 HA LEU 82 -0.362 -13.116 1.622 576 HB2 LEU 82 1HB LEU 82 -2.663 -13.227 2.204 577 HB3 LEU 82 2HB LEU 82 -2.364 -12.489 3.776 578 HG LEU 82 HG LEU 82 -1.763 -10.376 2.584 579 HD11 LEU 82 1HD1 LEU 82 -1.199 -11.394 0.421 580 HD12 LEU 82 2HD1 LEU 82 -2.403 -10.116 0.263 581 HD13 LEU 82 3HD1 LEU 82 -2.897 -11.807 0.185 582 HD21 LEU 82 3HD2 LEU 82 -4.207 -11.355 3.307 583 HD22 LEU 82 1HD2 LEU 82 -4.483 -10.874 1.633 584 HD23 LEU 82 2HD2 LEU 82 -3.885 -9.696 2.801 585 H ALA 83 H ALA 83 1.215 -11.689 1.385 586 HA ALA 83 HA ALA 83 2.012 -10.058 3.702 587 HB1 ALA 83 3HB ALA 83 4.140 -10.420 3.159 588 HB2 ALA 83 1HB ALA 83 3.551 -11.642 2.031 589 HB3 ALA 83 2HB ALA 83 3.858 -9.998 1.470 590 H VAL 84 H VAL 84 1.059 -8.125 3.643 591 HA VAL 84 HA VAL 84 0.942 -6.709 1.059 592 HB VAL 84 HB VAL 84 -0.910 -6.306 3.411 593 HG11 VAL 84 1HG1 VAL 84 -2.153 -5.292 1.212 594 HG12 VAL 84 2HG1 VAL 84 -1.221 -4.341 2.369 595 HG13 VAL 84 3HG1 VAL 84 -0.467 -4.902 0.876 596 HG21 VAL 84 3HG2 VAL 84 -2.486 -7.259 1.432 597 HG22 VAL 84 1HG2 VAL 84 -1.001 -8.163 1.130 598 HG23 VAL 84 2HG2 VAL 84 -1.788 -8.260 2.705 599 H LYS 85 H LYS 85 2.363 -5.112 0.955 600 HA LYS 85 HA LYS 85 3.217 -3.789 3.432 601 HB2 LYS 85 1HB LYS 85 4.482 -4.145 0.735 602 HB3 LYS 85 2HB LYS 85 5.013 -2.846 1.795 603 HG2 LYS 85 1HG LYS 85 5.443 -4.568 3.554 604 HG3 LYS 85 2HG LYS 85 5.105 -5.803 2.340 605 HD2 LYS 85 1HD LYS 85 7.415 -5.619 2.246 606 HD3 LYS 85 2HD LYS 85 6.894 -4.559 0.935 607 HE2 LYS 85 1HE LYS 85 7.387 -2.632 2.128 608 HE3 LYS 85 2HE LYS 85 7.316 -3.458 3.684 609 HZ1 LYS 85 3HZ LYS 85 9.443 -4.125 3.526 610 HZ2 LYS 85 1HZ LYS 85 9.587 -2.820 2.458 611 HZ3 LYS 85 2HZ LYS 85 9.371 -4.386 1.856 612 H TRP 86 H TRP 86 3.457 -1.479 3.468 613 HA TRP 86 HA TRP 86 1.805 -0.059 1.490 614 HB2 TRP 86 1HB TRP 86 0.380 -0.260 3.389 615 HB3 TRP 86 2HB TRP 86 1.685 0.154 4.498 616 HD1 TRP 86 HD TRP 86 1.517 2.537 5.387 617 HE1 TRP 86 1HE TRP 86 0.536 4.765 4.549 618 HE3 TRP 86 3HE TRP 86 -0.148 1.015 0.799 619 HZ2 TRP 86 2HZ TRP 86 -0.772 5.746 2.247 620 HZ3 TRP 86 3HZ TRP 86 -1.254 2.660 -0.659 621 HH2 TRP 86 HH TRP 86 -1.559 4.975 0.052 622 H GLY 87 H GLY 87 3.747 0.621 0.478 623 HA2 GLY 87 1HA GLY 87 5.480 2.073 0.086 624 HA3 GLY 87 2HA GLY 87 4.694 3.125 1.254 625 H GLU 88 H GLU 88 6.824 0.288 1.044 626 HA GLU 88 HA GLU 88 8.605 -0.369 2.298 627 HB2 GLU 88 1HB GLU 88 8.623 2.593 2.842 628 HB3 GLU 88 2HB GLU 88 9.822 1.514 3.542 629 HG2 GLU 88 1HG GLU 88 10.102 0.762 1.031 630 HG3 GLU 88 2HG GLU 88 9.452 2.372 0.727 631 H GLU 89 H GLU 89 6.063 -0.758 3.409 632 HA GLU 89 HA GLU 89 6.781 -1.035 6.191 633 HB2 GLU 89 1HB GLU 89 4.442 0.684 5.356 634 HB3 GLU 89 2HB GLU 89 4.658 0.052 6.982 635 HG2 GLU 89 1HG GLU 89 6.965 1.217 6.866 636 HG3 GLU 89 2HG GLU 89 6.247 2.125 5.537 637 H HIS 90 H HIS 90 4.789 -2.039 7.401 638 HA HIS 90 HA HIS 90 3.428 -3.916 5.587 639 HB2 HIS 90 1HB HIS 90 5.001 -4.490 8.076 640 HB3 HIS 90 2HB HIS 90 3.674 -5.550 7.611 641 HD1 HIS 90 1HD HIS 90 4.455 -7.495 6.321 642 HD2 HIS 90 2HD HIS 90 6.824 -4.152 5.635 643 HE1 HIS 90 1HE HIS 90 6.233 -8.250 4.712 644 H ILE 91 H ILE 91 1.324 -3.519 5.699 645 HA ILE 91 HA ILE 91 -0.046 -1.997 7.500 646 HB ILE 91 HB ILE 91 -2.095 -3.115 6.810 647 HG12 ILE 91 1HG1 ILE 91 -0.422 -5.116 5.301 648 HG13 ILE 91 2HG1 ILE 91 -1.000 -5.436 6.932 649 HG21 ILE 91 1HG2 ILE 91 -0.039 -2.640 4.671 650 HG22 ILE 91 2HG2 ILE 91 -1.726 -2.990 4.298 651 HG23 ILE 91 3HG2 ILE 91 -1.310 -1.555 5.234 652 HD11 ILE 91 3HD1 ILE 91 -3.273 -5.311 6.221 653 HD12 ILE 91 1HD1 ILE 91 -2.793 -4.753 4.618 654 HD13 ILE 91 2HD1 ILE 91 -2.410 -6.397 5.132 655 HA PRO 92 HA PRO 92 -0.315 -4.169 11.310 656 HB2 PRO 92 1HB PRO 92 -2.705 -3.262 12.226 657 HB3 PRO 92 2HB PRO 92 -1.250 -2.259 12.181 658 HG2 PRO 92 1HG PRO 92 -3.547 -2.352 10.263 659 HG3 PRO 92 2HG PRO 92 -2.690 -0.943 10.914 660 HD2 PRO 92 1HD PRO 92 -2.202 -1.932 8.441 661 HD3 PRO 92 2HD PRO 92 -0.942 -1.163 9.427 662 H GLY 93 H GLY 93 -0.504 -6.337 10.757 663 HA2 GLY 93 1HA GLY 93 -2.393 -7.958 11.546 664 HA3 GLY 93 2HA GLY 93 -3.176 -7.352 10.094 665 H SER 94 H SER 94 -0.246 -7.200 9.019 666 HA SER 94 HA SER 94 -0.284 -9.938 7.975 667 HB2 SER 94 1HB SER 94 -0.182 -8.606 6.109 668 HB3 SER 94 2HB SER 94 0.681 -7.316 6.946 669 HG SER 94 HG SER 94 2.541 -8.246 6.498 670 HA PRO 95 HA PRO 95 1.285 -11.008 6.580 671 HB2 PRO 95 1HB PRO 95 2.016 -13.567 7.120 672 HB3 PRO 95 2HB PRO 95 3.125 -12.376 6.430 673 HG2 PRO 95 1HG PRO 95 2.847 -13.283 9.269 674 HG3 PRO 95 2HG PRO 95 4.320 -12.992 8.327 675 HD2 PRO 95 1HD PRO 95 3.355 -11.199 10.112 676 HD3 PRO 95 2HD PRO 95 4.223 -10.711 8.642 677 H PHE 96 H PHE 96 -0.751 -11.688 6.312 678 HA PHE 96 HA PHE 96 -2.366 -12.323 8.595 679 HB2 PHE 96 1HB PHE 96 -2.884 -12.016 5.655 680 HB3 PHE 96 2HB PHE 96 -4.116 -12.717 6.699 681 HD1 PHE 96 2HD PHE 96 -1.969 -9.715 6.294 682 HD2 PHE 96 1HD PHE 96 -5.556 -11.349 7.900 683 HE1 PHE 96 2HE PHE 96 -2.709 -7.457 6.928 684 HE2 PHE 96 1HE PHE 96 -6.303 -9.092 8.536 685 HZ PHE 96 HZ PHE 96 -4.878 -7.143 8.052 686 H HIS 97 H HIS 97 -3.560 -14.244 8.938 687 HA HIS 97 HA HIS 97 -2.218 -16.630 7.881 688 HB2 HIS 97 1HB HIS 97 -2.182 -16.498 10.289 689 HB3 HIS 97 2HB HIS 97 -3.920 -16.221 10.345 690 HD1 HIS 97 1HD HIS 97 -4.457 -18.287 11.731 691 HD2 HIS 97 2HD HIS 97 -2.411 -19.147 8.219 692 HE1 HIS 97 1HE HIS 97 -4.571 -20.786 11.481 693 H VAL 98 H VAL 98 -3.229 -17.206 6.037 694 HA VAL 98 HA VAL 98 -6.166 -17.360 6.048 695 HB VAL 98 HB VAL 98 -4.245 -17.356 3.716 696 HG11 VAL 98 1HG1 VAL 98 -5.889 -18.021 2.367 697 HG12 VAL 98 2HG1 VAL 98 -6.763 -18.501 3.823 698 HG13 VAL 98 3HG1 VAL 98 -7.045 -16.914 3.107 699 HG21 VAL 98 3HG2 VAL 98 -6.124 -15.280 4.822 700 HG22 VAL 98 1HG2 VAL 98 -4.375 -15.167 4.624 701 HG23 VAL 98 2HG2 VAL 98 -5.424 -15.188 3.206 702 H THR 99 H THR 99 -7.085 -19.287 6.227 703 HA THR 99 HA THR 99 -5.466 -21.678 5.653 704 HB THR 99 HB THR 99 -7.889 -21.417 7.446 705 HG1 THR 99 1HG THR 99 -5.329 -22.127 8.359 706 HG21 THR 99 3HG2 THR 99 -6.592 -23.766 8.070 707 HG22 THR 99 1HG2 THR 99 -6.500 -23.718 6.310 708 HG23 THR 99 2HG2 THR 99 -8.067 -23.627 7.114 709 H VAL 100 H VAL 100 -6.043 -22.968 4.029 710 HA VAL 100 HA VAL 100 -8.575 -22.434 2.657 711 HB VAL 100 HB VAL 100 -6.255 -24.117 1.704 712 HG11 VAL 100 1HG1 VAL 100 -8.350 -22.845 -0.015 713 HG12 VAL 100 2HG1 VAL 100 -7.299 -24.218 -0.368 714 HG13 VAL 100 3HG1 VAL 100 -8.644 -24.402 0.759 715 HG21 VAL 100 3HG2 VAL 100 -6.051 -21.484 2.126 716 HG22 VAL 100 1HG2 VAL 100 -5.264 -22.301 0.775 717 HG23 VAL 100 2HG2 VAL 100 -6.791 -21.455 0.525 718 HA PRO 101 HA PRO 101 -10.358 -26.138 4.284 719 HB2 PRO 101 1HB PRO 101 -12.454 -26.307 2.567 720 HB3 PRO 101 2HB PRO 101 -12.389 -25.139 3.891 721 HG2 PRO 101 1HG PRO 101 -11.781 -24.745 0.987 722 HG3 PRO 101 2HG PRO 101 -12.688 -23.696 2.092 723 HD2 PRO 101 1HD PRO 101 -10.109 -23.219 1.418 724 HD3 PRO 101 2HD PRO 101 -10.774 -22.796 3.009 Start of MODEL 7 1 H1 GLY 1 H GLY 1 23.134 10.808 -5.826 2 HA2 GLY 1 1HA GLY 1 21.281 12.425 -5.141 3 HA3 GLY 1 2HA GLY 1 20.779 11.109 -6.193 4 H SER 2 H SER 2 19.237 12.618 -4.207 5 HA SER 2 HA SER 2 18.498 10.397 -2.416 6 HB2 SER 2 1HB SER 2 17.868 11.942 -0.741 7 HB3 SER 2 2HB SER 2 19.398 12.559 -1.365 8 HG SER 2 HG SER 2 18.029 14.279 -1.307 9 H SER 3 H SER 3 16.147 10.520 -1.718 10 HA SER 3 HA SER 3 14.494 11.154 -4.073 11 HB2 SER 3 1HB SER 3 12.960 9.375 -3.261 12 HB3 SER 3 2HB SER 3 14.572 8.762 -3.629 13 HG SER 3 HG SER 3 13.482 9.338 -1.075 14 H GLY 4 H GLY 4 12.412 12.034 -3.755 15 HA2 GLY 4 1HA GLY 4 12.266 13.891 -1.579 16 HA3 GLY 4 2HA GLY 4 11.058 13.660 -2.835 17 H SER 5 H SER 5 11.685 13.339 0.411 18 HA SER 5 HA SER 5 9.683 11.215 0.761 19 HB2 SER 5 1HB SER 5 11.927 12.229 2.473 20 HB3 SER 5 2HB SER 5 10.555 11.414 3.224 21 HG SER 5 HG SER 5 12.398 10.059 2.566 22 H SER 6 H SER 6 7.722 12.157 0.732 23 HA SER 6 HA SER 6 7.126 14.074 2.845 24 HB2 SER 6 1HB SER 6 6.834 14.626 -0.090 25 HB3 SER 6 2HB SER 6 5.703 15.348 1.055 26 HG SER 6 HG SER 6 7.899 15.875 2.162 27 H GLY 7 H GLY 7 4.633 14.553 2.753 28 HA2 GLY 7 1HA GLY 7 2.477 13.746 2.831 29 HA3 GLY 7 2HA GLY 7 2.949 12.536 1.647 30 H SER 8 H SER 8 3.037 13.321 5.094 31 HA SER 8 HA SER 8 4.090 11.159 6.275 32 HB2 SER 8 1HB SER 8 2.435 11.404 8.098 33 HB3 SER 8 2HB SER 8 3.044 12.966 7.548 34 HG SER 8 HG SER 8 1.143 13.311 6.458 35 H SER 9 H SER 9 3.987 9.202 5.278 36 HA SER 9 HA SER 9 1.332 8.036 4.802 37 HB2 SER 9 1HB SER 9 2.540 6.369 3.412 38 HB3 SER 9 2HB SER 9 2.792 8.022 2.852 39 HG SER 9 HG SER 9 4.828 7.534 3.009 40 H ASP 10 H ASP 10 0.612 6.952 6.514 41 HA ASP 10 HA ASP 10 2.516 5.322 8.057 42 HB2 ASP 10 1HB ASP 10 0.042 6.814 8.783 43 HB3 ASP 10 2HB ASP 10 0.386 5.326 9.661 44 H ALA 11 H ALA 11 2.153 3.166 8.390 45 HA ALA 11 HA ALA 11 0.172 1.931 6.631 46 HB1 ALA 11 3HB ALA 11 2.476 0.694 8.132 47 HB2 ALA 11 1HB ALA 11 1.425 -0.137 6.985 48 HB3 ALA 11 2HB ALA 11 2.478 1.166 6.433 49 H SER 12 H SER 12 0.964 2.307 10.007 50 HA SER 12 HA SER 12 -0.597 0.240 11.082 51 HB2 SER 12 1HB SER 12 0.181 2.926 12.238 52 HB3 SER 12 2HB SER 12 -0.600 1.646 13.167 53 HG SER 12 HG SER 12 1.221 0.579 13.233 54 H LYS 13 H LYS 13 -1.480 3.227 9.638 55 HA LYS 13 HA LYS 13 -4.121 3.285 10.846 56 HB2 LYS 13 1HB LYS 13 -2.997 5.013 8.634 57 HB3 LYS 13 2HB LYS 13 -4.463 5.315 9.557 58 HG2 LYS 13 1HG LYS 13 -1.680 5.254 10.705 59 HG3 LYS 13 2HG LYS 13 -2.578 6.713 10.279 60 HD2 LYS 13 1HD LYS 13 -3.653 4.672 12.208 61 HD3 LYS 13 2HD LYS 13 -2.613 6.001 12.727 62 HE2 LYS 13 1HE LYS 13 -4.197 7.606 12.234 63 HE3 LYS 13 2HE LYS 13 -5.023 6.581 11.061 64 HZ1 LYS 13 3HZ LYS 13 -6.428 5.962 12.635 65 HZ2 LYS 13 1HZ LYS 13 -5.652 6.967 13.753 66 HZ3 LYS 13 2HZ LYS 13 -5.163 5.357 13.581 67 H VAL 14 H VAL 14 -2.579 2.151 7.961 68 HA VAL 14 HA VAL 14 -4.749 2.056 6.201 69 HB VAL 14 HB VAL 14 -2.334 0.265 6.434 70 HG11 VAL 14 1HG1 VAL 14 -3.301 -1.168 5.039 71 HG12 VAL 14 2HG1 VAL 14 -4.736 -0.149 4.917 72 HG13 VAL 14 3HG1 VAL 14 -3.370 0.116 3.832 73 HG21 VAL 14 3HG2 VAL 14 -3.050 2.638 4.734 74 HG22 VAL 14 1HG2 VAL 14 -1.669 2.432 5.812 75 HG23 VAL 14 2HG2 VAL 14 -1.750 1.529 4.299 76 H THR 15 H THR 15 -6.493 0.787 6.032 77 HA THR 15 HA THR 15 -6.687 -1.536 7.837 78 HB THR 15 HB THR 15 -9.091 -1.145 8.003 79 HG1 THR 15 1HG THR 15 -8.679 1.295 6.603 80 HG21 THR 15 3HG2 THR 15 -7.683 1.452 8.593 81 HG22 THR 15 1HG2 THR 15 -7.446 -0.005 9.556 82 HG23 THR 15 2HG2 THR 15 -9.044 0.734 9.453 83 H SER 16 H SER 16 -7.636 -3.407 7.062 84 HA SER 16 HA SER 16 -8.314 -3.446 4.197 85 HB2 SER 16 1HB SER 16 -7.229 -5.723 4.105 86 HB3 SER 16 2HB SER 16 -6.108 -4.381 4.334 87 HG SER 16 HG SER 16 -6.106 -4.878 6.572 88 H LYS 17 H LYS 17 -9.970 -4.795 3.585 89 HA LYS 17 HA LYS 17 -11.258 -6.412 5.667 90 HB2 LYS 17 1HB LYS 17 -13.446 -5.547 5.126 91 HB3 LYS 17 2HB LYS 17 -12.392 -4.205 5.555 92 HG2 LYS 17 1HG LYS 17 -12.013 -3.944 3.037 93 HG3 LYS 17 2HG LYS 17 -13.422 -4.991 2.854 94 HD2 LYS 17 1HD LYS 17 -14.867 -3.422 3.699 95 HD3 LYS 17 2HD LYS 17 -13.621 -2.645 4.678 96 HE2 LYS 17 1HE LYS 17 -13.717 -2.516 1.669 97 HE3 LYS 17 2HE LYS 17 -14.430 -1.298 2.725 98 HZ1 LYS 17 3HZ LYS 17 -11.610 -1.882 2.201 99 HZ2 LYS 17 1HZ LYS 17 -12.028 -1.322 3.742 100 HZ3 LYS 17 2HZ LYS 17 -12.389 -0.390 2.377 101 H GLY 18 H GLY 18 -12.813 -7.983 4.794 102 HA2 GLY 18 1HA GLY 18 -13.692 -8.884 2.602 103 HA3 GLY 18 2HA GLY 18 -12.016 -8.824 2.077 104 H ALA 19 H ALA 19 -13.203 -11.182 1.819 105 HA ALA 19 HA ALA 19 -12.852 -12.820 4.172 106 HB1 ALA 19 3HB ALA 19 -13.120 -14.399 1.819 107 HB2 ALA 19 1HB ALA 19 -14.287 -14.137 3.114 108 HB3 ALA 19 2HB ALA 19 -14.251 -13.050 1.725 109 H GLY 20 H GLY 20 -11.263 -12.488 1.004 110 HA2 GLY 20 1HA GLY 20 -9.387 -14.444 1.059 111 HA3 GLY 20 2HA GLY 20 -9.048 -12.833 0.444 112 H LEU 21 H LEU 21 -9.351 -11.513 3.002 113 HA LEU 21 HA LEU 21 -6.692 -11.810 3.953 114 HB2 LEU 21 1HB LEU 21 -8.993 -10.370 5.261 115 HB3 LEU 21 2HB LEU 21 -7.278 -10.131 5.591 116 HG LEU 21 HG LEU 21 -8.389 -9.608 2.858 117 HD11 LEU 21 1HD1 LEU 21 -8.414 -7.703 5.194 118 HD12 LEU 21 2HD1 LEU 21 -9.820 -8.349 4.348 119 HD13 LEU 21 3HD1 LEU 21 -8.712 -7.261 3.513 120 HD21 LEU 21 3HD2 LEU 21 -5.854 -9.600 3.853 121 HD22 LEU 21 1HD2 LEU 21 -6.312 -7.906 4.029 122 HD23 LEU 21 2HD2 LEU 21 -6.390 -8.681 2.446 123 H SER 22 H SER 22 -9.846 -12.841 5.154 124 HA SER 22 HA SER 22 -8.731 -13.952 7.575 125 HB2 SER 22 1HB SER 22 -11.072 -12.960 7.344 126 HB3 SER 22 2HB SER 22 -11.505 -14.442 6.491 127 HG SER 22 HG SER 22 -11.466 -14.062 9.081 128 H LYS 23 H LYS 23 -10.452 -15.328 4.770 129 HA LYS 23 HA LYS 23 -8.668 -17.605 4.749 130 HB2 LYS 23 1HB LYS 23 -10.505 -19.259 4.908 131 HB3 LYS 23 2HB LYS 23 -10.274 -18.353 6.397 132 HG2 LYS 23 1HG LYS 23 -12.219 -17.084 6.055 133 HG3 LYS 23 2HG LYS 23 -12.337 -17.572 4.363 134 HD2 LYS 23 1HD LYS 23 -13.179 -19.650 4.881 135 HD3 LYS 23 2HD LYS 23 -12.437 -19.668 6.483 136 HE2 LYS 23 1HE LYS 23 -14.767 -19.416 6.824 137 HE3 LYS 23 2HE LYS 23 -14.045 -17.835 7.120 138 HZ1 LYS 23 3HZ LYS 23 -14.780 -18.133 4.391 139 HZ2 LYS 23 1HZ LYS 23 -15.254 -16.951 5.504 140 HZ3 LYS 23 2HZ LYS 23 -16.110 -18.405 5.400 141 H ALA 24 H ALA 24 -9.007 -18.992 2.873 142 HA ALA 24 HA ALA 24 -10.575 -17.715 0.735 143 HB1 ALA 24 3HB ALA 24 -7.714 -17.999 0.880 144 HB2 ALA 24 1HB ALA 24 -8.359 -18.863 -0.516 145 HB3 ALA 24 2HB ALA 24 -8.699 -17.145 -0.308 146 H PHE 25 H PHE 25 -10.459 -19.314 -1.285 147 HA PHE 25 HA PHE 25 -10.784 -22.079 -0.369 148 HB2 PHE 25 1HB PHE 25 -12.844 -20.467 -1.879 149 HB3 PHE 25 2HB PHE 25 -12.877 -22.224 -1.784 150 HD1 PHE 25 2HD PHE 25 -12.665 -19.249 0.453 151 HD2 PHE 25 1HD PHE 25 -14.126 -23.204 -0.126 152 HE1 PHE 25 2HE PHE 25 -13.886 -19.106 2.584 153 HE2 PHE 25 1HE PHE 25 -15.351 -23.067 2.004 154 HZ PHE 25 HZ PHE 25 -15.231 -21.017 3.362 155 H VAL 26 H VAL 26 -10.195 -23.614 -1.835 156 HA VAL 26 HA VAL 26 -8.455 -22.930 -3.913 157 HB VAL 26 HB VAL 26 -9.961 -25.520 -3.519 158 HG11 VAL 26 1HG1 VAL 26 -8.318 -26.550 -4.929 159 HG12 VAL 26 2HG1 VAL 26 -9.022 -25.188 -5.804 160 HG13 VAL 26 3HG1 VAL 26 -7.424 -25.037 -5.073 161 HG21 VAL 26 3HG2 VAL 26 -8.724 -25.386 -1.599 162 HG22 VAL 26 1HG2 VAL 26 -7.530 -26.111 -2.676 163 HG23 VAL 26 2HG2 VAL 26 -7.478 -24.381 -2.340 164 H GLY 27 H GLY 27 -8.744 -22.401 -5.989 165 HA2 GLY 27 1HA GLY 27 -9.751 -22.342 -8.089 166 HA3 GLY 27 2HA GLY 27 -11.124 -23.217 -7.427 167 H GLN 28 H GLN 28 -11.952 -21.610 -5.391 168 HA GLN 28 HA GLN 28 -13.550 -19.733 -6.637 169 HB2 GLN 28 1HB GLN 28 -12.597 -19.792 -3.769 170 HB3 GLN 28 2HB GLN 28 -13.909 -18.781 -4.361 171 HG2 GLN 28 1HG GLN 28 -14.942 -21.005 -5.172 172 HG3 GLN 28 2HG GLN 28 -13.812 -21.749 -4.042 173 HE21 GLN 28 1HE2 GLN 28 -16.266 -22.289 -3.463 174 HE22 GLN 28 2HE2 GLN 28 -16.885 -21.335 -2.163 175 H LYS 29 H LYS 29 -13.525 -17.309 -5.813 176 HA LYS 29 HA LYS 29 -10.837 -16.242 -6.386 177 HB2 LYS 29 1HB LYS 29 -12.727 -15.952 -8.133 178 HB3 LYS 29 2HB LYS 29 -13.381 -14.766 -7.011 179 HG2 LYS 29 1HG LYS 29 -11.547 -13.341 -7.265 180 HG3 LYS 29 2HG LYS 29 -10.549 -14.609 -7.980 181 HD2 LYS 29 1HD LYS 29 -13.064 -13.823 -9.368 182 HD3 LYS 29 2HD LYS 29 -11.672 -12.742 -9.469 183 HE2 LYS 29 1HE LYS 29 -10.325 -14.747 -10.201 184 HE3 LYS 29 2HE LYS 29 -11.851 -15.619 -10.342 185 HZ1 LYS 29 3HZ LYS 29 -10.677 -14.029 -12.253 186 HZ2 LYS 29 1HZ LYS 29 -11.977 -13.114 -11.675 187 HZ3 LYS 29 2HZ LYS 29 -12.244 -14.667 -12.290 188 H SER 30 H SER 30 -10.020 -15.524 -4.525 189 HA SER 30 HA SER 30 -11.760 -14.328 -2.519 190 HB2 SER 30 1HB SER 30 -8.993 -15.424 -2.550 191 HB3 SER 30 2HB SER 30 -9.350 -14.164 -1.370 192 HG SER 30 HG SER 30 -10.909 -16.510 -1.701 193 H SER 31 H SER 31 -12.047 -12.213 -2.328 194 HA SER 31 HA SER 31 -10.021 -10.409 -3.482 195 HB2 SER 31 1HB SER 31 -11.636 -9.080 -4.465 196 HB3 SER 31 2HB SER 31 -12.398 -10.663 -4.613 197 HG SER 31 HG SER 31 -13.470 -10.144 -2.582 198 H PHE 32 H PHE 32 -9.959 -8.251 -2.511 199 HA PHE 32 HA PHE 32 -11.220 -7.781 0.012 200 HB2 PHE 32 1HB PHE 32 -9.163 -7.748 1.372 201 HB3 PHE 32 2HB PHE 32 -9.517 -9.361 0.761 202 HD1 PHE 32 2HD PHE 32 -8.261 -10.161 -1.293 203 HD2 PHE 32 1HD PHE 32 -7.107 -6.736 0.955 204 HE1 PHE 32 2HE PHE 32 -6.002 -10.291 -2.260 205 HE2 PHE 32 1HE PHE 32 -4.847 -6.860 -0.009 206 HZ PHE 32 HZ PHE 32 -4.291 -8.640 -1.617 207 H LEU 33 H LEU 33 -11.129 -5.650 0.599 208 HA LEU 33 HA LEU 33 -9.646 -3.883 -1.228 209 HB2 LEU 33 1HB LEU 33 -12.169 -3.786 -1.176 210 HB3 LEU 33 2HB LEU 33 -12.026 -3.145 0.459 211 HG LEU 33 HG LEU 33 -10.579 -1.305 -0.627 212 HD11 LEU 33 1HD1 LEU 33 -10.805 -2.800 -2.855 213 HD12 LEU 33 2HD1 LEU 33 -10.522 -1.060 -2.863 214 HD13 LEU 33 3HD1 LEU 33 -12.155 -1.688 -3.084 215 HD21 LEU 33 3HD2 LEU 33 -12.398 -0.140 -0.124 216 HD22 LEU 33 1HD2 LEU 33 -13.375 -1.607 -0.199 217 HD23 LEU 33 2HD2 LEU 33 -13.133 -0.634 -1.650 218 H VAL 34 H VAL 34 -8.580 -2.051 -0.397 219 HA VAL 34 HA VAL 34 -8.134 -2.067 2.515 220 HB VAL 34 HB VAL 34 -6.049 -1.750 0.354 221 HG11 VAL 34 1HG1 VAL 34 -4.722 -1.782 2.760 222 HG12 VAL 34 2HG1 VAL 34 -5.031 -0.353 1.772 223 HG13 VAL 34 3HG1 VAL 34 -6.122 -0.764 3.096 224 HG21 VAL 34 3HG2 VAL 34 -7.001 -4.014 1.660 225 HG22 VAL 34 1HG2 VAL 34 -5.507 -3.875 0.734 226 HG23 VAL 34 2HG2 VAL 34 -5.489 -3.627 2.480 227 H ASP 35 H ASP 35 -8.324 -0.147 3.488 228 HA ASP 35 HA ASP 35 -8.680 2.220 1.786 229 HB2 ASP 35 1HB ASP 35 -10.608 1.889 3.119 230 HB3 ASP 35 2HB ASP 35 -9.651 1.532 4.554 231 H CYS 36 H CYS 36 -7.068 3.622 1.678 232 HA CYS 36 HA CYS 36 -5.112 3.698 3.873 233 HB2 CYS 36 1HB CYS 36 -4.885 4.321 0.935 234 HB3 CYS 36 2HB CYS 36 -3.679 4.874 2.091 235 HG CYS 36 HG CYS 36 -4.127 1.849 0.770 236 H SER 37 H SER 37 -7.786 5.185 3.355 237 HA SER 37 HA SER 37 -7.351 7.882 2.916 238 HB2 SER 37 1HB SER 37 -9.374 6.418 4.599 239 HB3 SER 37 2HB SER 37 -9.382 8.177 4.483 240 HG SER 37 HG SER 37 -9.689 6.297 2.384 241 H LYS 38 H LYS 38 -7.604 6.312 6.111 242 HA LYS 38 HA LYS 38 -6.673 8.569 7.540 243 HB2 LYS 38 1HB LYS 38 -7.011 5.663 8.223 244 HB3 LYS 38 2HB LYS 38 -6.265 6.774 9.365 245 HG2 LYS 38 1HG LYS 38 -8.249 8.092 9.490 246 HG3 LYS 38 2HG LYS 38 -8.992 7.195 8.164 247 HD2 LYS 38 1HD LYS 38 -8.617 5.135 9.723 248 HD3 LYS 38 2HD LYS 38 -8.514 6.355 10.995 249 HE2 LYS 38 1HE LYS 38 -10.806 6.152 9.050 250 HE3 LYS 38 2HE LYS 38 -10.798 5.377 10.634 251 HZ1 LYS 38 3HZ LYS 38 -10.933 8.236 9.967 252 HZ2 LYS 38 1HZ LYS 38 -10.251 7.766 11.443 253 HZ3 LYS 38 2HZ LYS 38 -11.849 7.349 11.078 254 H ALA 39 H ALA 39 -5.056 6.253 5.664 255 HA ALA 39 HA ALA 39 -2.577 6.149 7.042 256 HB1 ALA 39 3HB ALA 39 -3.693 5.019 4.692 257 HB2 ALA 39 1HB ALA 39 -2.159 5.776 4.259 258 HB3 ALA 39 2HB ALA 39 -2.215 4.561 5.538 259 H GLY 40 H GLY 40 -3.236 7.704 3.896 260 HA2 GLY 40 1HA GLY 40 -2.585 10.276 4.312 261 HA3 GLY 40 2HA GLY 40 -1.003 9.509 4.317 262 H SER 41 H SER 41 -0.201 8.580 2.404 263 HA SER 41 HA SER 41 -1.646 8.495 -0.025 264 HB2 SER 41 1HB SER 41 -0.169 11.000 0.614 265 HB3 SER 41 2HB SER 41 -0.028 10.375 -1.029 266 HG SER 41 HG SER 41 -2.578 10.495 0.089 267 H ASN 42 H ASN 42 -0.722 6.669 -0.702 268 HA ASN 42 HA ASN 42 2.014 6.677 -1.541 269 HB2 ASN 42 1HB ASN 42 1.884 6.072 1.036 270 HB3 ASN 42 2HB ASN 42 1.448 4.486 0.408 271 HD21 ASN 42 1HD2 ASN 42 3.957 6.643 1.084 272 HD22 ASN 42 2HD2 ASN 42 5.253 5.739 0.385 273 H MET 43 H MET 43 2.587 4.214 -2.145 274 HA MET 43 HA MET 43 0.336 3.332 -3.801 275 HB2 MET 43 1HB MET 43 1.991 2.175 -5.157 276 HB3 MET 43 2HB MET 43 2.452 3.859 -4.949 277 HG2 MET 43 1HG MET 43 4.140 3.298 -3.387 278 HG3 MET 43 2HG MET 43 3.554 1.642 -3.252 279 HE1 MET 43 3HE MET 43 3.048 0.402 -5.526 280 HE2 MET 43 1HE MET 43 4.309 0.192 -6.742 281 HE3 MET 43 2HE MET 43 4.565 -0.389 -5.097 282 H LEU 44 H LEU 44 -0.588 1.368 -3.589 283 HA LEU 44 HA LEU 44 0.319 -0.290 -1.351 284 HB2 LEU 44 1HB LEU 44 -2.055 0.568 -1.520 285 HB3 LEU 44 2HB LEU 44 -2.261 -0.537 -2.877 286 HG LEU 44 HG LEU 44 -1.494 -2.345 -1.156 287 HD11 LEU 44 1HD1 LEU 44 -2.359 -0.065 0.603 288 HD12 LEU 44 2HD1 LEU 44 -0.859 -0.989 0.672 289 HD13 LEU 44 3HD1 LEU 44 -2.384 -1.748 1.128 290 HD21 LEU 44 3HD2 LEU 44 -3.920 -1.504 -2.143 291 HD22 LEU 44 1HD2 LEU 44 -4.184 -1.530 -0.399 292 HD23 LEU 44 2HD2 LEU 44 -3.631 -2.985 -1.229 293 H LEU 45 H LEU 45 1.599 -1.936 -1.846 294 HA LEU 45 HA LEU 45 1.111 -3.385 -4.366 295 HB2 LEU 45 1HB LEU 45 3.399 -3.741 -4.655 296 HB3 LEU 45 2HB LEU 45 3.266 -2.052 -4.170 297 HG LEU 45 HG LEU 45 5.155 -2.972 -3.058 298 HD11 LEU 45 1HD1 LEU 45 2.992 -3.026 -0.976 299 HD12 LEU 45 2HD1 LEU 45 3.510 -1.533 -1.758 300 HD13 LEU 45 3HD1 LEU 45 4.662 -2.481 -0.817 301 HD21 LEU 45 3HD2 LEU 45 5.329 -5.062 -2.259 302 HD22 LEU 45 1HD2 LEU 45 3.897 -5.372 -3.241 303 HD23 LEU 45 2HD2 LEU 45 3.727 -5.023 -1.521 304 H ILE 46 H ILE 46 1.777 -5.680 -4.320 305 HA ILE 46 HA ILE 46 1.525 -6.860 -1.633 306 HB ILE 46 HB ILE 46 0.247 -7.975 -4.131 307 HG12 ILE 46 1HG1 ILE 46 -0.807 -5.853 -3.328 308 HG13 ILE 46 2HG1 ILE 46 -1.877 -7.248 -3.246 309 HG21 ILE 46 1HG2 ILE 46 0.632 -9.795 -2.759 310 HG22 ILE 46 2HG2 ILE 46 0.396 -8.863 -1.281 311 HG23 ILE 46 3HG2 ILE 46 -0.991 -9.305 -2.277 312 HD11 ILE 46 3HD1 ILE 46 -1.153 -7.431 -0.808 313 HD12 ILE 46 1HD1 ILE 46 -0.513 -5.801 -1.010 314 HD13 ILE 46 2HD1 ILE 46 -2.233 -6.109 -1.249 315 H GLY 47 H GLY 47 2.513 -8.915 -1.339 316 HA2 GLY 47 1HA GLY 47 4.380 -9.722 -3.471 317 HA3 GLY 47 2HA GLY 47 4.972 -9.454 -1.838 318 H VAL 48 H VAL 48 2.218 -11.178 -3.315 319 HA VAL 48 HA VAL 48 1.767 -13.099 -1.462 320 HB VAL 48 HB VAL 48 1.200 -14.657 -3.384 321 HG11 VAL 48 1HG1 VAL 48 -0.579 -13.422 -2.518 322 HG12 VAL 48 2HG1 VAL 48 0.070 -11.893 -3.113 323 HG13 VAL 48 3HG1 VAL 48 -0.618 -13.059 -4.243 324 HG21 VAL 48 3HG2 VAL 48 1.791 -12.260 -5.103 325 HG22 VAL 48 1HG2 VAL 48 2.920 -13.601 -4.910 326 HG23 VAL 48 2HG2 VAL 48 1.328 -13.882 -5.616 327 H HIS 49 H HIS 49 2.653 -14.991 -0.778 328 HA HIS 49 HA HIS 49 5.436 -15.386 -1.152 329 HB2 HIS 49 1HB HIS 49 5.183 -17.313 0.292 330 HB3 HIS 49 2HB HIS 49 4.209 -15.989 0.926 331 HD1 HIS 49 1HD HIS 49 1.563 -16.162 0.266 332 HD2 HIS 49 2HD HIS 49 3.820 -19.637 -0.028 333 HE1 HIS 49 1HE HIS 49 -0.103 -18.045 0.235 334 H GLY 50 H GLY 50 6.492 -17.282 -2.006 335 HA2 GLY 50 1HA GLY 50 4.966 -18.973 -3.815 336 HA3 GLY 50 2HA GLY 50 6.122 -17.893 -4.580 337 HA PRO 51 HA PRO 51 8.873 -20.772 -1.883 338 HB2 PRO 51 1HB PRO 51 7.637 -22.648 -0.358 339 HB3 PRO 51 2HB PRO 51 7.981 -21.013 0.221 340 HG2 PRO 51 1HG PRO 51 5.425 -22.144 -0.849 341 HG3 PRO 51 2HG PRO 51 5.680 -21.083 0.548 342 HD2 PRO 51 1HD PRO 51 4.821 -20.157 -1.848 343 HD3 PRO 51 2HD PRO 51 5.838 -19.191 -0.760 344 H THR 52 H THR 52 5.878 -22.529 -2.708 345 HA THR 52 HA THR 52 7.470 -24.235 -4.500 346 HB THR 52 HB THR 52 7.089 -25.632 -2.606 347 HG1 THR 52 1HG THR 52 4.987 -26.325 -4.384 348 HG21 THR 52 3HG2 THR 52 5.154 -25.781 -1.371 349 HG22 THR 52 1HG2 THR 52 4.125 -25.315 -2.725 350 HG23 THR 52 2HG2 THR 52 5.079 -24.095 -1.882 351 H THR 53 H THR 53 4.103 -23.509 -3.565 352 HA THR 53 HA THR 53 3.439 -23.397 -6.435 353 HB THR 53 HB THR 53 1.132 -24.118 -5.804 354 HG1 THR 53 1HG THR 53 2.167 -25.073 -3.367 355 HG21 THR 53 3HG2 THR 53 3.485 -25.686 -6.029 356 HG22 THR 53 1HG2 THR 53 1.831 -26.134 -6.443 357 HG23 THR 53 2HG2 THR 53 2.449 -26.446 -4.821 358 HA PRO 54 HA PRO 54 2.561 -19.207 -4.858 359 HB2 PRO 54 1HB PRO 54 2.907 -18.007 -7.268 360 HB3 PRO 54 2HB PRO 54 4.251 -18.405 -6.191 361 HG2 PRO 54 1HG PRO 54 3.242 -19.888 -8.588 362 HG3 PRO 54 2HG PRO 54 4.914 -19.548 -8.105 363 HD2 PRO 54 1HD PRO 54 3.732 -21.945 -7.673 364 HD3 PRO 54 2HD PRO 54 4.957 -21.273 -6.578 365 H CYS 55 H CYS 55 1.079 -17.473 -5.928 366 HA CYS 55 HA CYS 55 -1.465 -18.726 -6.367 367 HB2 CYS 55 1HB CYS 55 -0.834 -16.455 -5.154 368 HB3 CYS 55 2HB CYS 55 -1.066 -15.794 -6.768 369 HG CYS 55 HG CYS 55 -3.613 -17.729 -6.127 370 H GLU 56 H GLU 56 -2.854 -18.356 -8.181 371 HA GLU 56 HA GLU 56 -1.609 -18.780 -10.665 372 HB2 GLU 56 1HB GLU 56 -4.427 -18.089 -9.871 373 HB3 GLU 56 2HB GLU 56 -3.969 -18.257 -11.560 374 HG2 GLU 56 1HG GLU 56 -3.775 -20.371 -9.429 375 HG3 GLU 56 2HG GLU 56 -4.932 -20.311 -10.758 376 H GLU 57 H GLU 57 -3.038 -15.887 -9.216 377 HA GLU 57 HA GLU 57 -1.356 -14.135 -10.661 378 HB2 GLU 57 1HB GLU 57 -2.868 -13.110 -12.186 379 HB3 GLU 57 2HB GLU 57 -2.962 -14.843 -12.469 380 HG2 GLU 57 1HG GLU 57 -4.901 -13.573 -10.600 381 HG3 GLU 57 2HG GLU 57 -5.124 -13.385 -12.339 382 H VAL 58 H VAL 58 -2.241 -11.780 -10.452 383 HA VAL 58 HA VAL 58 -3.865 -11.446 -8.043 384 HB VAL 58 HB VAL 58 -1.164 -10.126 -8.330 385 HG11 VAL 58 1HG1 VAL 58 -2.016 -10.019 -5.690 386 HG12 VAL 58 2HG1 VAL 58 -2.010 -8.691 -6.852 387 HG13 VAL 58 3HG1 VAL 58 -3.463 -9.667 -6.634 388 HG21 VAL 58 3HG2 VAL 58 -0.918 -11.646 -6.129 389 HG22 VAL 58 1HG2 VAL 58 -1.990 -12.671 -7.083 390 HG23 VAL 58 2HG2 VAL 58 -0.427 -12.182 -7.736 391 H SER 59 H SER 59 -5.441 -10.130 -8.668 392 HA SER 59 HA SER 59 -4.913 -8.088 -10.692 393 HB2 SER 59 1HB SER 59 -6.900 -9.667 -10.840 394 HB3 SER 59 2HB SER 59 -7.586 -8.793 -9.470 395 HG SER 59 HG SER 59 -7.036 -6.880 -10.985 396 H MET 60 H MET 60 -4.122 -6.255 -9.874 397 HA MET 60 HA MET 60 -5.363 -5.174 -7.430 398 HB2 MET 60 1HB MET 60 -2.630 -4.497 -8.522 399 HB3 MET 60 2HB MET 60 -3.300 -4.016 -6.970 400 HG2 MET 60 1HG MET 60 -3.090 -6.151 -6.076 401 HG3 MET 60 2HG MET 60 -2.949 -6.902 -7.663 402 HE1 MET 60 3HE MET 60 0.347 -4.127 -6.065 403 HE2 MET 60 1HE MET 60 -1.342 -3.708 -6.349 404 HE3 MET 60 2HE MET 60 -0.899 -4.676 -4.943 405 H LYS 61 H LYS 61 -6.649 -3.493 -7.744 406 HA LYS 61 HA LYS 61 -5.943 -1.488 -9.750 407 HB2 LYS 61 1HB LYS 61 -8.377 -3.198 -9.767 408 HB3 LYS 61 2HB LYS 61 -8.582 -1.501 -10.182 409 HG2 LYS 61 1HG LYS 61 -6.456 -3.116 -11.518 410 HG3 LYS 61 2HG LYS 61 -8.135 -3.242 -12.048 411 HD2 LYS 61 1HD LYS 61 -8.101 -0.694 -12.190 412 HD3 LYS 61 2HD LYS 61 -6.347 -0.824 -12.048 413 HE2 LYS 61 1HE LYS 61 -6.592 -0.827 -14.329 414 HE3 LYS 61 2HE LYS 61 -6.632 -2.557 -13.995 415 HZ1 LYS 61 3HZ LYS 61 -9.236 -1.513 -13.791 416 HZ2 LYS 61 1HZ LYS 61 -8.643 -2.667 -14.877 417 HZ3 LYS 61 2HZ LYS 61 -8.570 -1.023 -15.267 418 H HIS 62 H HIS 62 -6.504 0.575 -9.202 419 HA HIS 62 HA HIS 62 -7.425 0.970 -6.475 420 HB2 HIS 62 1HB HIS 62 -5.520 2.271 -7.052 421 HB3 HIS 62 2HB HIS 62 -6.258 2.818 -8.554 422 HD1 HIS 62 1HD HIS 62 -6.956 5.172 -8.410 423 HD2 HIS 62 2HD HIS 62 -7.310 3.246 -4.747 424 HE1 HIS 62 1HE HIS 62 -7.823 6.913 -6.816 425 H VAL 63 H VAL 63 -9.622 0.278 -6.872 426 HA VAL 63 HA VAL 63 -11.433 1.212 -8.674 427 HB VAL 63 HB VAL 63 -13.140 1.088 -6.750 428 HG11 VAL 63 1HG1 VAL 63 -13.196 -0.795 -8.022 429 HG12 VAL 63 2HG1 VAL 63 -11.461 -1.080 -7.876 430 HG13 VAL 63 3HG1 VAL 63 -12.539 -1.496 -6.543 431 HG21 VAL 63 3HG2 VAL 63 -11.178 1.460 -5.076 432 HG22 VAL 63 1HG2 VAL 63 -12.487 0.354 -4.661 433 HG23 VAL 63 2HG2 VAL 63 -10.949 -0.280 -5.246 434 H GLY 64 H GLY 64 -9.975 2.985 -6.068 435 HA2 GLY 64 1HA GLY 64 -9.898 5.421 -6.370 436 HA3 GLY 64 2HA GLY 64 -11.589 5.336 -6.842 437 H ASN 65 H ASN 65 -11.447 7.107 -5.082 438 HA ASN 65 HA ASN 65 -11.965 7.827 -2.985 439 HB2 ASN 65 1HB ASN 65 -13.422 5.224 -3.232 440 HB3 ASN 65 2HB ASN 65 -13.432 6.067 -1.686 441 HD21 ASN 65 1HD2 ASN 65 -14.965 7.511 -1.386 442 HD22 ASN 65 2HD2 ASN 65 -15.897 8.274 -2.625 443 H GLN 66 H GLN 66 -9.431 6.447 -3.340 444 HA GLN 66 HA GLN 66 -7.659 5.826 -2.053 445 HB2 GLN 66 1HB GLN 66 -9.452 6.179 0.347 446 HB3 GLN 66 2HB GLN 66 -7.695 6.239 0.303 447 HG2 GLN 66 1HG GLN 66 -8.294 8.464 0.450 448 HG3 GLN 66 2HG GLN 66 -8.016 8.242 -1.276 449 HE21 GLN 66 1HE2 GLN 66 -9.437 9.316 -2.426 450 HE22 GLN 66 2HE2 GLN 66 -11.116 9.502 -2.066 451 H GLN 67 H GLN 67 -9.733 3.930 -2.991 452 HA GLN 67 HA GLN 67 -9.271 1.764 -1.048 453 HB2 GLN 67 1HB GLN 67 -11.512 2.036 -3.059 454 HB3 GLN 67 2HB GLN 67 -11.285 0.682 -1.959 455 HG2 GLN 67 1HG GLN 67 -11.743 2.031 -0.065 456 HG3 GLN 67 2HG GLN 67 -11.676 3.509 -1.023 457 HE21 GLN 67 1HE2 GLN 67 -13.815 3.524 0.300 458 HE22 GLN 67 2HE2 GLN 67 -15.205 2.980 -0.569 459 H TYR 68 H TYR 68 -8.221 -0.020 -1.705 460 HA TYR 68 HA TYR 68 -7.537 -0.210 -4.565 461 HB2 TYR 68 1HB TYR 68 -5.923 -0.933 -2.118 462 HB3 TYR 68 2HB TYR 68 -5.486 -1.454 -3.742 463 HD1 TYR 68 2HD TYR 68 -4.748 0.187 -5.416 464 HD2 TYR 68 1HD TYR 68 -5.601 1.343 -1.411 465 HE1 TYR 68 2HE TYR 68 -3.557 2.308 -5.780 466 HE2 TYR 68 1HE TYR 68 -4.413 3.467 -1.765 467 HH TYR 68 HH TYR 68 -3.814 4.808 -4.482 468 H ASN 69 H ASN 69 -8.516 -1.839 -5.547 469 HA ASN 69 HA ASN 69 -9.552 -4.077 -4.014 470 HB2 ASN 69 1HB ASN 69 -10.678 -2.779 -6.021 471 HB3 ASN 69 2HB ASN 69 -9.761 -3.926 -6.993 472 HD21 ASN 69 1HD2 ASN 69 -9.911 -6.069 -5.093 473 HD22 ASN 69 2HD2 ASN 69 -11.536 -6.655 -5.123 474 H VAL 70 H VAL 70 -8.386 -5.838 -3.667 475 HA VAL 70 HA VAL 70 -6.447 -6.676 -5.722 476 HB VAL 70 HB VAL 70 -6.098 -6.942 -2.732 477 HG11 VAL 70 1HG1 VAL 70 -3.824 -7.717 -3.334 478 HG12 VAL 70 2HG1 VAL 70 -5.097 -8.805 -3.890 479 HG13 VAL 70 3HG1 VAL 70 -4.305 -7.716 -5.031 480 HG21 VAL 70 3HG2 VAL 70 -5.148 -4.948 -4.717 481 HG22 VAL 70 1HG2 VAL 70 -5.584 -4.740 -3.021 482 HG23 VAL 70 2HG2 VAL 70 -4.027 -5.448 -3.451 483 H THR 71 H THR 71 -7.354 -8.398 -6.659 484 HA THR 71 HA THR 71 -8.501 -10.481 -4.914 485 HB THR 71 HB THR 71 -9.207 -10.343 -7.815 486 HG1 THR 71 1HG THR 71 -9.517 -8.209 -6.720 487 HG21 THR 71 3HG2 THR 71 -10.002 -12.251 -6.613 488 HG22 THR 71 1HG2 THR 71 -11.381 -11.187 -6.883 489 HG23 THR 71 2HG2 THR 71 -10.607 -11.242 -5.299 490 H TYR 72 H TYR 72 -7.833 -12.564 -5.165 491 HA TYR 72 HA TYR 72 -5.974 -13.180 -7.348 492 HB2 TYR 72 1HB TYR 72 -4.463 -14.327 -5.753 493 HB3 TYR 72 2HB TYR 72 -4.556 -12.593 -5.467 494 HD1 TYR 72 1HD TYR 72 -5.998 -15.826 -4.299 495 HD2 TYR 72 2HD TYR 72 -5.022 -11.800 -3.329 496 HE1 TYR 72 1HE TYR 72 -6.591 -16.254 -1.951 497 HE2 TYR 72 2HE TYR 72 -5.611 -12.217 -0.978 498 HH TYR 72 HH TYR 72 -7.394 -14.282 0.132 499 H VAL 73 H VAL 73 -5.404 -15.642 -7.194 500 HA VAL 73 HA VAL 73 -7.736 -17.197 -6.334 501 HB VAL 73 HB VAL 73 -6.532 -17.372 -9.100 502 HG11 VAL 73 1HG1 VAL 73 -8.429 -19.089 -7.583 503 HG12 VAL 73 2HG1 VAL 73 -8.691 -18.872 -9.315 504 HG13 VAL 73 3HG1 VAL 73 -7.166 -19.538 -8.729 505 HG21 VAL 73 3HG2 VAL 73 -9.006 -16.105 -8.019 506 HG22 VAL 73 1HG2 VAL 73 -7.891 -15.526 -9.258 507 HG23 VAL 73 2HG2 VAL 73 -9.037 -16.813 -9.634 508 H VAL 74 H VAL 74 -6.974 -18.701 -5.011 509 HA VAL 74 HA VAL 74 -4.251 -19.695 -5.331 510 HB VAL 74 HB VAL 74 -4.630 -20.822 -3.163 511 HG11 VAL 74 1HG1 VAL 74 -3.773 -18.478 -3.350 512 HG12 VAL 74 2HG1 VAL 74 -5.416 -17.916 -3.034 513 HG13 VAL 74 3HG1 VAL 74 -4.554 -18.855 -1.814 514 HG21 VAL 74 3HG2 VAL 74 -6.732 -21.286 -2.585 515 HG22 VAL 74 1HG2 VAL 74 -6.908 -19.582 -2.168 516 HG23 VAL 74 2HG2 VAL 74 -7.380 -20.151 -3.769 517 H LYS 75 H LYS 75 -3.909 -21.409 -6.567 518 HA LYS 75 HA LYS 75 -6.059 -23.277 -7.136 519 HB2 LYS 75 1HB LYS 75 -3.382 -22.683 -8.291 520 HB3 LYS 75 2HB LYS 75 -4.005 -24.315 -8.495 521 HG2 LYS 75 1HG LYS 75 -5.508 -21.831 -9.284 522 HG3 LYS 75 2HG LYS 75 -4.500 -22.775 -10.384 523 HD2 LYS 75 1HD LYS 75 -5.968 -24.770 -9.576 524 HD3 LYS 75 2HD LYS 75 -7.097 -23.503 -9.091 525 HE2 LYS 75 1HE LYS 75 -7.240 -22.682 -11.334 526 HE3 LYS 75 2HE LYS 75 -5.933 -23.742 -11.860 527 HZ1 LYS 75 3HZ LYS 75 -8.454 -24.812 -10.744 528 HZ2 LYS 75 1HZ LYS 75 -7.288 -25.619 -11.667 529 HZ3 LYS 75 2HZ LYS 75 -8.287 -24.462 -12.391 530 H GLU 76 H GLU 76 -4.613 -23.077 -4.475 531 HA GLU 76 HA GLU 76 -4.358 -25.934 -4.082 532 HB2 GLU 76 1HB GLU 76 -2.057 -24.808 -4.723 533 HB3 GLU 76 2HB GLU 76 -2.080 -24.308 -3.038 534 HG2 GLU 76 1HG GLU 76 -2.606 -26.859 -2.645 535 HG3 GLU 76 2HG GLU 76 -1.814 -27.021 -4.211 536 H ARG 77 H ARG 77 -4.347 -26.542 -1.832 537 HA ARG 77 HA ARG 77 -5.616 -24.495 -0.152 538 HB2 ARG 77 1HB ARG 77 -6.557 -26.334 1.128 539 HB3 ARG 77 2HB ARG 77 -6.916 -26.547 -0.580 540 HG2 ARG 77 1HG ARG 77 -4.843 -28.058 -0.623 541 HG3 ARG 77 2HG ARG 77 -4.986 -28.059 1.136 542 HD2 ARG 77 1HD ARG 77 -7.396 -28.769 0.796 543 HD3 ARG 77 2HD ARG 77 -6.975 -29.045 -0.893 544 HE ARG 77 HE ARG 77 -6.308 -30.703 1.341 545 HH11 ARG 77 1HH1 ARG 77 -5.300 -29.696 -1.835 546 HH12 ARG 77 2HH1 ARG 77 -4.396 -31.141 -2.149 547 HH21 ARG 77 1HH2 ARG 77 -5.122 -32.610 0.940 548 HH22 ARG 77 2HH2 ARG 77 -4.297 -32.798 -0.570 549 H GLY 78 H GLY 78 -5.249 -25.023 2.307 550 HA2 GLY 78 1HA GLY 78 -3.588 -25.871 3.903 551 HA3 GLY 78 2HA GLY 78 -2.359 -25.492 2.705 552 H ASP 79 H ASP 79 -1.499 -24.403 4.723 553 HA ASP 79 HA ASP 79 -2.763 -21.959 5.543 554 HB2 ASP 79 1HB ASP 79 0.100 -22.755 6.066 555 HB3 ASP 79 2HB ASP 79 -0.917 -21.678 7.020 556 H TYR 80 H TYR 80 -2.638 -20.055 4.568 557 HA TYR 80 HA TYR 80 -0.482 -19.625 2.608 558 HB2 TYR 80 1HB TYR 80 -3.355 -18.801 2.672 559 HB3 TYR 80 2HB TYR 80 -2.198 -17.781 1.825 560 HD1 TYR 80 1HD TYR 80 -2.963 -21.438 2.082 561 HD2 TYR 80 2HD TYR 80 -2.051 -18.136 -0.441 562 HE1 TYR 80 1HE TYR 80 -3.121 -22.906 0.114 563 HE2 TYR 80 2HE TYR 80 -2.208 -19.594 -2.416 564 HH TYR 80 HH TYR 80 -2.513 -21.662 -3.158 565 H VAL 81 H VAL 81 0.613 -17.663 2.569 566 HA VAL 81 HA VAL 81 0.273 -16.002 4.981 567 HB VAL 81 HB VAL 81 2.803 -16.529 3.416 568 HG11 VAL 81 1HG1 VAL 81 2.159 -14.287 4.899 569 HG12 VAL 81 2HG1 VAL 81 3.089 -15.282 6.021 570 HG13 VAL 81 3HG1 VAL 81 3.782 -14.822 4.465 571 HG21 VAL 81 3HG2 VAL 81 3.401 -17.422 5.828 572 HG22 VAL 81 1HG2 VAL 81 1.656 -17.658 5.917 573 HG23 VAL 81 2HG2 VAL 81 2.588 -18.447 4.646 574 H LEU 82 H LEU 82 -0.862 -14.263 4.347 575 HA LEU 82 HA LEU 82 -0.414 -13.049 1.754 576 HB2 LEU 82 1HB LEU 82 -2.676 -13.161 2.465 577 HB3 LEU 82 2HB LEU 82 -2.287 -12.442 4.027 578 HG LEU 82 HG LEU 82 -1.817 -10.303 2.902 579 HD11 LEU 82 1HD1 LEU 82 -3.068 -11.317 0.401 580 HD12 LEU 82 2HD1 LEU 82 -1.351 -11.615 0.673 581 HD13 LEU 82 3HD1 LEU 82 -1.965 -9.962 0.647 582 HD21 LEU 82 3HD2 LEU 82 -4.490 -10.859 1.853 583 HD22 LEU 82 1HD2 LEU 82 -3.967 -9.707 3.083 584 HD23 LEU 82 2HD2 LEU 82 -4.246 -11.393 3.517 585 H ALA 83 H ALA 83 1.047 -11.525 1.399 586 HA ALA 83 HA ALA 83 2.032 -9.956 3.688 587 HB1 ALA 83 3HB ALA 83 3.577 -11.508 2.267 588 HB2 ALA 83 1HB ALA 83 3.545 -10.166 1.124 589 HB3 ALA 83 2HB ALA 83 4.141 -9.913 2.765 590 H VAL 84 H VAL 84 1.030 -8.046 3.743 591 HA VAL 84 HA VAL 84 0.673 -6.586 1.206 592 HB VAL 84 HB VAL 84 -0.927 -6.223 3.742 593 HG11 VAL 84 1HG1 VAL 84 -0.538 -4.451 1.695 594 HG12 VAL 84 2HG1 VAL 84 -2.018 -5.275 1.201 595 HG13 VAL 84 3HG1 VAL 84 -1.934 -4.475 2.771 596 HG21 VAL 84 3HG2 VAL 84 -2.645 -7.507 2.833 597 HG22 VAL 84 1HG2 VAL 84 -1.971 -7.430 1.205 598 HG23 VAL 84 2HG2 VAL 84 -1.195 -8.428 2.434 599 H LYS 85 H LYS 85 2.063 -4.976 0.973 600 HA LYS 85 HA LYS 85 3.101 -3.633 3.377 601 HB2 LYS 85 1HB LYS 85 4.244 -4.113 0.645 602 HB3 LYS 85 2HB LYS 85 4.838 -2.779 1.625 603 HG2 LYS 85 1HG LYS 85 5.345 -4.412 3.431 604 HG3 LYS 85 2HG LYS 85 4.896 -5.707 2.318 605 HD2 LYS 85 1HD LYS 85 7.158 -5.648 1.969 606 HD3 LYS 85 2HD LYS 85 6.631 -4.489 0.746 607 HE2 LYS 85 1HE LYS 85 7.345 -2.665 1.984 608 HE3 LYS 85 2HE LYS 85 7.306 -3.555 3.506 609 HZ1 LYS 85 3HZ LYS 85 9.556 -3.024 2.317 610 HZ2 LYS 85 1HZ LYS 85 9.188 -4.418 1.432 611 HZ3 LYS 85 2HZ LYS 85 9.329 -4.499 3.115 612 H TRP 86 H TRP 86 3.339 -1.338 3.360 613 HA TRP 86 HA TRP 86 1.713 0.070 1.358 614 HB2 TRP 86 1HB TRP 86 0.262 -0.164 3.261 615 HB3 TRP 86 2HB TRP 86 1.535 0.358 4.361 616 HD1 TRP 86 HD TRP 86 1.244 2.767 5.139 617 HE1 TRP 86 1HE TRP 86 0.185 4.910 4.182 618 HE3 TRP 86 3HE TRP 86 -0.270 0.968 0.599 619 HZ2 TRP 86 2HZ TRP 86 -1.120 5.728 1.816 620 HZ3 TRP 86 3HZ TRP 86 -1.417 2.495 -0.952 621 HH2 TRP 86 HH TRP 86 -1.832 4.826 -0.354 622 H GLY 87 H GLY 87 3.491 0.944 0.335 623 HA2 GLY 87 1HA GLY 87 5.242 2.387 -0.021 624 HA3 GLY 87 2HA GLY 87 4.498 3.366 1.234 625 H GLU 88 H GLU 88 6.565 0.496 0.832 626 HA GLU 88 HA GLU 88 8.350 -0.267 2.017 627 HB2 GLU 88 1HB GLU 88 8.563 2.687 2.587 628 HB3 GLU 88 2HB GLU 88 9.760 1.525 3.140 629 HG2 GLU 88 1HG GLU 88 10.051 0.836 0.746 630 HG3 GLU 88 2HG GLU 88 9.041 2.211 0.306 631 H GLU 89 H GLU 89 6.040 -0.797 3.268 632 HA GLU 89 HA GLU 89 6.839 -0.946 6.014 633 HB2 GLU 89 1HB GLU 89 4.492 0.787 5.241 634 HB3 GLU 89 2HB GLU 89 4.703 0.129 6.858 635 HG2 GLU 89 1HG GLU 89 7.011 1.258 6.787 636 HG3 GLU 89 2HG GLU 89 6.356 2.171 5.429 637 H HIS 90 H HIS 90 5.033 -2.026 7.342 638 HA HIS 90 HA HIS 90 3.555 -3.910 5.626 639 HB2 HIS 90 1HB HIS 90 5.261 -4.427 8.038 640 HB3 HIS 90 2HB HIS 90 3.924 -5.509 7.660 641 HD1 HIS 90 1HD HIS 90 4.609 -7.445 6.302 642 HD2 HIS 90 2HD HIS 90 7.000 -4.129 5.560 643 HE1 HIS 90 1HE HIS 90 6.321 -8.212 4.628 644 H ILE 91 H ILE 91 1.447 -3.612 5.858 645 HA ILE 91 HA ILE 91 0.149 -2.053 7.694 646 HB ILE 91 HB ILE 91 -1.913 -3.223 7.137 647 HG12 ILE 91 1HG1 ILE 91 -0.257 -5.221 5.599 648 HG13 ILE 91 2HG1 ILE 91 -0.802 -5.521 7.246 649 HG21 ILE 91 1HG2 ILE 91 -1.331 -1.697 5.481 650 HG22 ILE 91 2HG2 ILE 91 0.033 -2.669 4.929 651 HG23 ILE 91 3HG2 ILE 91 -1.617 -3.184 4.578 652 HD11 ILE 91 3HD1 ILE 91 -3.089 -5.435 6.573 653 HD12 ILE 91 1HD1 ILE 91 -2.643 -4.904 4.952 654 HD13 ILE 91 2HD1 ILE 91 -2.231 -6.532 5.491 655 HA PRO 92 HA PRO 92 0.131 -4.153 11.554 656 HB2 PRO 92 1HB PRO 92 -2.213 -3.256 12.588 657 HB3 PRO 92 2HB PRO 92 -0.776 -2.238 12.441 658 HG2 PRO 92 1HG PRO 92 -3.177 -2.393 10.660 659 HG3 PRO 92 2HG PRO 92 -2.301 -0.963 11.234 660 HD2 PRO 92 1HD PRO 92 -1.943 -1.993 8.756 661 HD3 PRO 92 2HD PRO 92 -0.638 -1.191 9.654 662 H GLY 93 H GLY 93 -0.064 -6.326 10.882 663 HA2 GLY 93 1HA GLY 93 -1.850 -7.982 11.859 664 HA3 GLY 93 2HA GLY 93 -2.770 -7.376 10.489 665 H SER 94 H SER 94 0.087 -7.183 9.194 666 HA SER 94 HA SER 94 -0.038 -9.893 8.090 667 HB2 SER 94 1HB SER 94 -0.056 -8.502 6.261 668 HB3 SER 94 2HB SER 94 0.891 -7.252 7.069 669 HG SER 94 HG SER 94 2.674 -8.158 6.389 670 HA PRO 95 HA PRO 95 1.420 -10.946 6.575 671 HB2 PRO 95 1HB PRO 95 2.160 -13.521 7.010 672 HB3 PRO 95 2HB PRO 95 3.232 -12.326 6.270 673 HG2 PRO 95 1HG PRO 95 3.138 -13.291 9.102 674 HG3 PRO 95 2HG PRO 95 4.547 -12.992 8.068 675 HD2 PRO 95 1HD PRO 95 3.724 -11.231 9.952 676 HD3 PRO 95 2HD PRO 95 4.494 -10.718 8.437 677 H PHE 96 H PHE 96 -0.633 -11.615 6.427 678 HA PHE 96 HA PHE 96 -2.081 -12.311 8.812 679 HB2 PHE 96 1HB PHE 96 -2.817 -11.820 5.948 680 HB3 PHE 96 2HB PHE 96 -3.977 -12.589 7.026 681 HD1 PHE 96 2HD PHE 96 -1.946 -9.543 6.519 682 HD2 PHE 96 1HD PHE 96 -5.215 -11.333 8.575 683 HE1 PHE 96 2HE PHE 96 -2.623 -7.332 7.359 684 HE2 PHE 96 1HE PHE 96 -5.899 -9.124 9.417 685 HZ PHE 96 HZ PHE 96 -4.602 -7.120 8.810 686 H HIS 97 H HIS 97 -3.443 -14.210 9.005 687 HA HIS 97 HA HIS 97 -2.145 -16.573 7.839 688 HB2 HIS 97 1HB HIS 97 -2.113 -16.548 10.259 689 HB3 HIS 97 2HB HIS 97 -3.850 -16.266 10.318 690 HD1 HIS 97 1HD HIS 97 -4.593 -18.373 11.460 691 HD2 HIS 97 2HD HIS 97 -2.149 -19.111 8.182 692 HE1 HIS 97 1HE HIS 97 -4.668 -20.862 11.113 693 H VAL 98 H VAL 98 -3.163 -17.116 6.002 694 HA VAL 98 HA VAL 98 -6.102 -17.094 5.957 695 HB VAL 98 HB VAL 98 -4.120 -17.230 3.682 696 HG11 VAL 98 1HG1 VAL 98 -5.929 -17.282 2.167 697 HG12 VAL 98 2HG1 VAL 98 -6.275 -18.527 3.369 698 HG13 VAL 98 3HG1 VAL 98 -7.106 -16.972 3.442 699 HG21 VAL 98 3HG2 VAL 98 -5.310 -15.023 3.121 700 HG22 VAL 98 1HG2 VAL 98 -5.865 -15.059 4.795 701 HG23 VAL 98 2HG2 VAL 98 -4.138 -15.020 4.439 702 H THR 99 H THR 99 -7.242 -18.930 5.823 703 HA THR 99 HA THR 99 -5.742 -21.446 5.488 704 HB THR 99 HB THR 99 -8.316 -21.023 7.019 705 HG1 THR 99 1HG THR 99 -7.086 -20.744 8.728 706 HG21 THR 99 3HG2 THR 99 -8.298 -23.274 7.555 707 HG22 THR 99 1HG2 THR 99 -6.581 -23.454 7.196 708 HG23 THR 99 2HG2 THR 99 -7.746 -23.302 5.881 709 H VAL 100 H VAL 100 -6.346 -22.830 3.928 710 HA VAL 100 HA VAL 100 -8.834 -22.235 2.459 711 HB VAL 100 HB VAL 100 -6.226 -23.287 1.355 712 HG11 VAL 100 1HG1 VAL 100 -7.779 -24.379 0.047 713 HG12 VAL 100 2HG1 VAL 100 -8.969 -23.084 0.191 714 HG13 VAL 100 3HG1 VAL 100 -7.559 -22.876 -0.849 715 HG21 VAL 100 3HG2 VAL 100 -6.696 -20.744 1.919 716 HG22 VAL 100 1HG2 VAL 100 -5.834 -21.225 0.458 717 HG23 VAL 100 2HG2 VAL 100 -7.546 -20.811 0.376 718 HA PRO 101 HA PRO 101 -9.945 -26.356 3.706 719 HB2 PRO 101 1HB PRO 101 -12.280 -26.459 2.326 720 HB3 PRO 101 2HB PRO 101 -12.097 -25.563 3.838 721 HG2 PRO 101 1HG PRO 101 -12.038 -24.554 1.021 722 HG3 PRO 101 2HG PRO 101 -12.834 -23.855 2.443 723 HD2 PRO 101 1HD PRO 101 -10.466 -22.940 1.502 724 HD3 PRO 101 2HD PRO 101 -10.884 -22.912 3.228 Start of MODEL 8 1 H1 GLY 1 H GLY 1 13.741 24.367 5.696 2 HA2 GLY 1 1HA GLY 1 12.732 23.644 3.517 3 HA3 GLY 1 2HA GLY 1 13.089 22.006 4.043 4 H SER 2 H SER 2 11.035 21.214 4.118 5 HA SER 2 HA SER 2 8.733 22.462 4.955 6 HB2 SER 2 1HB SER 2 8.668 20.276 3.910 7 HB3 SER 2 2HB SER 2 9.517 19.555 5.277 8 HG SER 2 HG SER 2 7.384 19.148 5.612 9 H SER 3 H SER 3 7.976 23.194 6.828 10 HA SER 3 HA SER 3 9.529 22.720 9.249 11 HB2 SER 3 1HB SER 3 9.037 25.020 8.889 12 HB3 SER 3 2HB SER 3 7.341 24.679 8.549 13 HG SER 3 HG SER 3 7.450 25.424 10.630 14 H GLY 4 H GLY 4 8.930 20.592 9.749 15 HA2 GLY 4 1HA GLY 4 7.591 19.502 11.450 16 HA3 GLY 4 2HA GLY 4 6.193 20.363 10.825 17 H SER 5 H SER 5 7.029 17.416 11.188 18 HA SER 5 HA SER 5 7.011 16.344 8.528 19 HB2 SER 5 1HB SER 5 6.798 14.154 9.667 20 HB3 SER 5 2HB SER 5 8.113 15.123 10.331 21 HG SER 5 HG SER 5 5.523 15.128 11.464 22 H SER 6 H SER 6 5.172 17.078 7.492 23 HA SER 6 HA SER 6 2.567 16.568 8.683 24 HB2 SER 6 1HB SER 6 3.145 18.690 7.397 25 HB3 SER 6 2HB SER 6 3.111 17.701 5.937 26 HG SER 6 HG SER 6 0.916 17.067 6.851 27 H GLY 7 H GLY 7 4.163 15.801 5.580 28 HA2 GLY 7 1HA GLY 7 2.232 13.747 4.987 29 HA3 GLY 7 2HA GLY 7 3.655 14.149 4.037 30 H SER 8 H SER 8 2.521 12.401 6.882 31 HA SER 8 HA SER 8 4.981 10.786 6.803 32 HB2 SER 8 1HB SER 8 3.071 11.457 9.030 33 HB3 SER 8 2HB SER 8 4.138 10.057 9.141 34 HG SER 8 HG SER 8 5.761 11.857 8.437 35 H SER 9 H SER 9 4.481 9.237 5.315 36 HA SER 9 HA SER 9 1.984 7.970 5.049 37 HB2 SER 9 1HB SER 9 4.615 6.689 4.319 38 HB3 SER 9 2HB SER 9 3.048 6.490 3.535 39 HG SER 9 HG SER 9 4.905 8.124 2.807 40 H ASP 10 H ASP 10 1.064 6.973 6.736 41 HA ASP 10 HA ASP 10 2.699 5.169 8.379 42 HB2 ASP 10 1HB ASP 10 1.142 7.085 9.305 43 HB3 ASP 10 2HB ASP 10 -0.122 5.879 9.076 44 H ALA 11 H ALA 11 2.243 3.022 8.565 45 HA ALA 11 HA ALA 11 0.380 1.931 6.593 46 HB1 ALA 11 3HB ALA 11 2.296 0.764 6.270 47 HB2 ALA 11 1HB ALA 11 2.820 0.943 7.944 48 HB3 ALA 11 2HB ALA 11 1.593 -0.254 7.527 49 H SER 12 H SER 12 0.984 2.003 10.051 50 HA SER 12 HA SER 12 -0.705 -0.001 10.933 51 HB2 SER 12 1HB SER 12 0.274 2.561 12.102 52 HB3 SER 12 2HB SER 12 -1.050 1.736 12.925 53 HG SER 12 HG SER 12 0.238 0.032 13.325 54 H LYS 13 H LYS 13 -1.479 3.141 9.658 55 HA LYS 13 HA LYS 13 -4.196 3.171 10.567 56 HB2 LYS 13 1HB LYS 13 -2.811 4.770 8.407 57 HB3 LYS 13 2HB LYS 13 -4.440 5.079 8.994 58 HG2 LYS 13 1HG LYS 13 -1.923 5.228 10.642 59 HG3 LYS 13 2HG LYS 13 -2.816 6.603 9.986 60 HD2 LYS 13 1HD LYS 13 -4.816 5.434 11.281 61 HD3 LYS 13 2HD LYS 13 -3.486 4.799 12.252 62 HE2 LYS 13 1HE LYS 13 -4.109 6.782 13.330 63 HE3 LYS 13 2HE LYS 13 -2.674 7.215 12.402 64 HZ1 LYS 13 3HZ LYS 13 -4.171 8.077 10.660 65 HZ2 LYS 13 1HZ LYS 13 -4.326 8.904 12.128 66 HZ3 LYS 13 2HZ LYS 13 -5.496 7.773 11.667 67 H VAL 14 H VAL 14 -2.528 2.168 7.638 68 HA VAL 14 HA VAL 14 -4.709 1.846 5.935 69 HB VAL 14 HB VAL 14 -2.118 0.310 6.092 70 HG11 VAL 14 1HG1 VAL 14 -3.074 0.029 3.520 71 HG12 VAL 14 2HG1 VAL 14 -3.067 -1.217 4.769 72 HG13 VAL 14 3HG1 VAL 14 -4.504 -0.225 4.520 73 HG21 VAL 14 3HG2 VAL 14 -3.099 2.677 4.544 74 HG22 VAL 14 1HG2 VAL 14 -1.607 2.483 5.463 75 HG23 VAL 14 2HG2 VAL 14 -1.798 1.670 3.910 76 H THR 15 H THR 15 -6.473 0.660 6.187 77 HA THR 15 HA THR 15 -6.317 -1.797 7.798 78 HB THR 15 HB THR 15 -8.815 -1.592 7.951 79 HG1 THR 15 1HG THR 15 -8.285 0.960 6.790 80 HG21 THR 15 3HG2 THR 15 -8.108 -0.804 9.929 81 HG22 THR 15 1HG2 THR 15 -8.446 0.794 9.264 82 HG23 THR 15 2HG2 THR 15 -6.812 0.136 9.190 83 H SER 16 H SER 16 -7.520 -3.658 7.100 84 HA SER 16 HA SER 16 -8.191 -3.715 4.243 85 HB2 SER 16 1HB SER 16 -6.992 -5.811 3.930 86 HB3 SER 16 2HB SER 16 -5.880 -4.579 4.526 87 HG SER 16 HG SER 16 -6.296 -5.492 6.660 88 H LYS 17 H LYS 17 -10.019 -4.782 3.792 89 HA LYS 17 HA LYS 17 -11.136 -6.567 5.851 90 HB2 LYS 17 1HB LYS 17 -13.396 -5.704 5.214 91 HB3 LYS 17 2HB LYS 17 -12.370 -4.516 6.007 92 HG2 LYS 17 1HG LYS 17 -13.343 -3.327 4.272 93 HG3 LYS 17 2HG LYS 17 -11.756 -3.760 3.631 94 HD2 LYS 17 1HD LYS 17 -12.620 -5.270 2.139 95 HD3 LYS 17 2HD LYS 17 -14.032 -5.615 3.141 96 HE2 LYS 17 1HE LYS 17 -13.546 -3.104 1.541 97 HE3 LYS 17 2HE LYS 17 -14.670 -4.399 1.130 98 HZ1 LYS 17 3HZ LYS 17 -16.086 -2.977 2.158 99 HZ2 LYS 17 1HZ LYS 17 -14.898 -2.315 3.165 100 HZ3 LYS 17 2HZ LYS 17 -15.566 -3.827 3.525 101 H GLY 18 H GLY 18 -12.735 -8.114 5.019 102 HA2 GLY 18 1HA GLY 18 -13.716 -8.925 2.817 103 HA3 GLY 18 2HA GLY 18 -12.049 -8.911 2.261 104 H ALA 19 H ALA 19 -13.060 -11.227 1.884 105 HA ALA 19 HA ALA 19 -12.694 -12.907 4.251 106 HB1 ALA 19 3HB ALA 19 -14.465 -13.018 2.100 107 HB2 ALA 19 1HB ALA 19 -13.349 -14.361 1.850 108 HB3 ALA 19 2HB ALA 19 -14.244 -14.229 3.363 109 H GLY 20 H GLY 20 -11.389 -12.411 1.000 110 HA2 GLY 20 1HA GLY 20 -9.665 -14.524 0.742 111 HA3 GLY 20 2HA GLY 20 -9.309 -12.909 0.149 112 H LEU 21 H LEU 21 -9.350 -11.791 2.891 113 HA LEU 21 HA LEU 21 -6.584 -12.245 3.491 114 HB2 LEU 21 1HB LEU 21 -8.590 -10.715 5.133 115 HB3 LEU 21 2HB LEU 21 -6.835 -10.551 5.158 116 HG LEU 21 HG LEU 21 -8.333 -9.950 2.643 117 HD11 LEU 21 1HD1 LEU 21 -9.094 -7.922 3.313 118 HD12 LEU 21 2HD1 LEU 21 -7.841 -7.728 4.538 119 HD13 LEU 21 3HD1 LEU 21 -9.228 -8.770 4.854 120 HD21 LEU 21 3HD2 LEU 21 -5.681 -9.936 3.338 121 HD22 LEU 21 1HD2 LEU 21 -6.137 -8.242 3.525 122 HD23 LEU 21 2HD2 LEU 21 -6.392 -9.059 1.982 123 H SER 22 H SER 22 -9.666 -13.159 4.923 124 HA SER 22 HA SER 22 -8.486 -14.312 7.272 125 HB2 SER 22 1HB SER 22 -10.873 -13.386 7.028 126 HB3 SER 22 2HB SER 22 -11.252 -14.916 6.237 127 HG SER 22 HG SER 22 -11.684 -15.090 8.433 128 H LYS 23 H LYS 23 -10.066 -15.656 4.377 129 HA LYS 23 HA LYS 23 -8.255 -17.884 4.328 130 HB2 LYS 23 1HB LYS 23 -10.007 -19.623 4.533 131 HB3 LYS 23 2HB LYS 23 -9.767 -18.719 6.022 132 HG2 LYS 23 1HG LYS 23 -11.788 -17.585 5.806 133 HG3 LYS 23 2HG LYS 23 -11.918 -17.955 4.085 134 HD2 LYS 23 1HD LYS 23 -13.434 -19.442 4.964 135 HD3 LYS 23 2HD LYS 23 -11.974 -20.434 4.940 136 HE2 LYS 23 1HE LYS 23 -12.826 -20.802 7.069 137 HE3 LYS 23 2HE LYS 23 -11.608 -19.555 7.337 138 HZ1 LYS 23 3HZ LYS 23 -14.534 -19.112 7.083 139 HZ2 LYS 23 1HZ LYS 23 -13.379 -17.892 7.282 140 HZ3 LYS 23 2HZ LYS 23 -13.632 -19.025 8.512 141 H ALA 24 H ALA 24 -8.745 -19.367 2.491 142 HA ALA 24 HA ALA 24 -10.451 -18.180 0.429 143 HB1 ALA 24 3HB ALA 24 -7.507 -18.361 0.352 144 HB2 ALA 24 1HB ALA 24 -8.356 -18.847 -1.116 145 HB3 ALA 24 2HB ALA 24 -8.599 -17.232 -0.449 146 H PHE 25 H PHE 25 -10.826 -19.641 -1.402 147 HA PHE 25 HA PHE 25 -10.580 -22.467 -0.601 148 HB2 PHE 25 1HB PHE 25 -12.825 -21.073 -2.068 149 HB3 PHE 25 2HB PHE 25 -12.695 -22.822 -1.915 150 HD1 PHE 25 2HD PHE 25 -12.397 -19.890 0.381 151 HD2 PHE 25 1HD PHE 25 -14.096 -23.723 -0.353 152 HE1 PHE 25 2HE PHE 25 -13.564 -19.782 2.544 153 HE2 PHE 25 1HE PHE 25 -15.267 -23.621 1.809 154 HZ PHE 25 HZ PHE 25 -15.001 -21.650 3.261 155 H VAL 26 H VAL 26 -10.246 -24.013 -2.246 156 HA VAL 26 HA VAL 26 -8.556 -23.109 -4.364 157 HB VAL 26 HB VAL 26 -9.691 -25.866 -3.872 158 HG11 VAL 26 1HG1 VAL 26 -7.205 -25.987 -5.175 159 HG12 VAL 26 2HG1 VAL 26 -8.788 -26.420 -5.824 160 HG13 VAL 26 3HG1 VAL 26 -8.161 -24.785 -6.041 161 HG21 VAL 26 3HG2 VAL 26 -7.178 -26.128 -3.108 162 HG22 VAL 26 1HG2 VAL 26 -7.340 -24.401 -2.789 163 HG23 VAL 26 2HG2 VAL 26 -8.418 -25.549 -1.996 164 H GLY 27 H GLY 27 -9.152 -22.435 -6.311 165 HA2 GLY 27 1HA GLY 27 -10.257 -22.722 -8.394 166 HA3 GLY 27 2HA GLY 27 -11.527 -23.611 -7.567 167 H GLN 28 H GLN 28 -11.604 -21.481 -5.447 168 HA GLN 28 HA GLN 28 -13.490 -19.765 -6.835 169 HB2 GLN 28 1HB GLN 28 -12.774 -19.926 -3.902 170 HB3 GLN 28 2HB GLN 28 -14.086 -18.973 -4.581 171 HG2 GLN 28 1HG GLN 28 -15.263 -20.793 -3.935 172 HG3 GLN 28 2HG GLN 28 -14.806 -21.322 -5.553 173 HE21 GLN 28 1HE2 GLN 28 -15.455 -22.859 -3.133 174 HE22 GLN 28 2HE2 GLN 28 -14.092 -23.884 -2.853 175 H LYS 29 H LYS 29 -13.506 -17.409 -6.332 176 HA LYS 29 HA LYS 29 -10.758 -16.361 -6.414 177 HB2 LYS 29 1HB LYS 29 -12.342 -16.019 -8.395 178 HB3 LYS 29 2HB LYS 29 -13.226 -14.911 -7.355 179 HG2 LYS 29 1HG LYS 29 -11.511 -13.364 -7.320 180 HG3 LYS 29 2HG LYS 29 -10.289 -14.557 -7.763 181 HD2 LYS 29 1HD LYS 29 -11.760 -14.704 -9.961 182 HD3 LYS 29 2HD LYS 29 -12.209 -13.067 -9.477 183 HE2 LYS 29 1HE LYS 29 -10.065 -12.260 -9.739 184 HE3 LYS 29 2HE LYS 29 -9.328 -13.846 -9.514 185 HZ1 LYS 29 3HZ LYS 29 -9.771 -12.606 -11.900 186 HZ2 LYS 29 1HZ LYS 29 -11.017 -13.748 -11.819 187 HZ3 LYS 29 2HZ LYS 29 -9.406 -14.244 -11.686 188 H SER 30 H SER 30 -10.077 -15.314 -4.675 189 HA SER 30 HA SER 30 -12.074 -14.176 -2.840 190 HB2 SER 30 1HB SER 30 -9.404 -15.438 -2.449 191 HB3 SER 30 2HB SER 30 -9.867 -14.151 -1.335 192 HG SER 30 HG SER 30 -11.311 -16.535 -1.875 193 H SER 31 H SER 31 -12.178 -12.045 -2.542 194 HA SER 31 HA SER 31 -9.965 -10.391 -3.569 195 HB2 SER 31 1HB SER 31 -11.468 -8.845 -4.465 196 HB3 SER 31 2HB SER 31 -12.264 -10.382 -4.800 197 HG SER 31 HG SER 31 -12.966 -8.358 -3.035 198 H PHE 32 H PHE 32 -9.603 -8.366 -2.492 199 HA PHE 32 HA PHE 32 -10.879 -7.922 0.070 200 HB2 PHE 32 1HB PHE 32 -8.761 -7.945 1.332 201 HB3 PHE 32 2HB PHE 32 -9.143 -9.531 0.669 202 HD1 PHE 32 2HD PHE 32 -7.827 -10.475 -1.137 203 HD2 PHE 32 1HD PHE 32 -6.883 -6.673 0.527 204 HE1 PHE 32 2HE PHE 32 -5.615 -10.558 -2.211 205 HE2 PHE 32 1HE PHE 32 -4.670 -6.749 -0.546 206 HZ PHE 32 HZ PHE 32 -4.033 -8.694 -1.916 207 H LEU 33 H LEU 33 -10.916 -5.809 0.602 208 HA LEU 33 HA LEU 33 -9.452 -3.970 -1.159 209 HB2 LEU 33 1HB LEU 33 -12.000 -3.941 -0.972 210 HB3 LEU 33 2HB LEU 33 -11.753 -3.249 0.631 211 HG LEU 33 HG LEU 33 -10.365 -1.456 -0.638 212 HD11 LEU 33 1HD1 LEU 33 -10.958 -3.042 -2.789 213 HD12 LEU 33 2HD1 LEU 33 -10.458 -1.353 -2.867 214 HD13 LEU 33 3HD1 LEU 33 -12.172 -1.767 -2.908 215 HD21 LEU 33 3HD2 LEU 33 -12.734 -0.430 -1.328 216 HD22 LEU 33 1HD2 LEU 33 -12.189 -0.542 0.345 217 HD23 LEU 33 2HD2 LEU 33 -13.289 -1.757 -0.306 218 H VAL 34 H VAL 34 -8.361 -2.172 -0.306 219 HA VAL 34 HA VAL 34 -7.785 -2.323 2.582 220 HB VAL 34 HB VAL 34 -5.833 -1.589 0.395 221 HG11 VAL 34 1HG1 VAL 34 -4.190 -1.355 2.082 222 HG12 VAL 34 2HG1 VAL 34 -5.590 -0.430 2.628 223 HG13 VAL 34 3HG1 VAL 34 -5.259 -2.019 3.317 224 HG21 VAL 34 3HG2 VAL 34 -5.100 -3.850 2.024 225 HG22 VAL 34 1HG2 VAL 34 -6.657 -4.120 1.241 226 HG23 VAL 34 2HG2 VAL 34 -5.237 -3.730 0.270 227 H ASP 35 H ASP 35 -8.591 -0.596 3.562 228 HA ASP 35 HA ASP 35 -9.094 1.858 2.131 229 HB2 ASP 35 1HB ASP 35 -10.787 1.483 3.656 230 HB3 ASP 35 2HB ASP 35 -9.693 0.818 4.866 231 H CYS 36 H CYS 36 -7.702 3.470 1.918 232 HA CYS 36 HA CYS 36 -5.660 3.866 3.997 233 HB2 CYS 36 1HB CYS 36 -5.225 3.950 1.005 234 HB3 CYS 36 2HB CYS 36 -4.043 4.474 2.198 235 HG CYS 36 HG CYS 36 -4.727 1.419 1.104 236 H SER 37 H SER 37 -8.092 5.225 3.861 237 HA SER 37 HA SER 37 -7.875 7.692 2.464 238 HB2 SER 37 1HB SER 37 -10.015 6.603 3.310 239 HB3 SER 37 2HB SER 37 -9.571 7.192 4.912 240 HG SER 37 HG SER 37 -9.437 9.323 3.839 241 H LYS 38 H LYS 38 -7.253 6.718 5.812 242 HA LYS 38 HA LYS 38 -5.959 9.325 6.263 243 HB2 LYS 38 1HB LYS 38 -7.223 7.394 8.211 244 HB3 LYS 38 2HB LYS 38 -6.260 8.780 8.707 245 HG2 LYS 38 1HG LYS 38 -8.780 8.930 7.066 246 HG3 LYS 38 2HG LYS 38 -8.680 9.205 8.806 247 HD2 LYS 38 1HD LYS 38 -7.141 11.073 8.416 248 HD3 LYS 38 2HD LYS 38 -7.251 10.797 6.676 249 HE2 LYS 38 1HE LYS 38 -8.736 12.570 7.146 250 HE3 LYS 38 2HE LYS 38 -9.746 11.144 6.914 251 HZ1 LYS 38 3HZ LYS 38 -10.469 12.406 8.828 252 HZ2 LYS 38 1HZ LYS 38 -8.933 12.294 9.529 253 HZ3 LYS 38 2HZ LYS 38 -9.873 10.903 9.324 254 H ALA 39 H ALA 39 -4.654 7.188 4.907 255 HA ALA 39 HA ALA 39 -2.817 6.036 6.855 256 HB1 ALA 39 3HB ALA 39 -2.640 5.659 3.886 257 HB2 ALA 39 1HB ALA 39 -2.098 4.586 5.177 258 HB3 ALA 39 2HB ALA 39 -3.821 4.780 4.856 259 H GLY 40 H GLY 40 -2.581 7.953 3.850 260 HA2 GLY 40 1HA GLY 40 -0.886 9.917 4.742 261 HA3 GLY 40 2HA GLY 40 0.177 8.589 4.298 262 H SER 41 H SER 41 1.127 9.275 2.474 263 HA SER 41 HA SER 41 -0.630 9.885 0.200 264 HB2 SER 41 1HB SER 41 0.556 11.930 1.335 265 HB3 SER 41 2HB SER 41 1.981 11.333 0.485 266 HG SER 41 HG SER 41 -0.131 12.704 -0.482 267 H ASN 42 H ASN 42 0.783 7.459 1.027 268 HA ASN 42 HA ASN 42 2.850 7.222 -1.039 269 HB2 ASN 42 1HB ASN 42 3.035 6.427 1.483 270 HB3 ASN 42 2HB ASN 42 2.225 4.997 0.852 271 HD21 ASN 42 1HD2 ASN 42 5.143 6.780 1.017 272 HD22 ASN 42 2HD2 ASN 42 6.128 5.679 0.121 273 H MET 43 H MET 43 2.839 4.687 -1.782 274 HA MET 43 HA MET 43 0.234 4.369 -3.097 275 HB2 MET 43 1HB MET 43 1.426 3.014 -4.753 276 HB3 MET 43 2HB MET 43 2.155 4.606 -4.593 277 HG2 MET 43 1HG MET 43 4.021 3.305 -4.623 278 HG3 MET 43 2HG MET 43 3.716 3.373 -2.888 279 HE1 MET 43 3HE MET 43 2.856 0.129 -1.703 280 HE2 MET 43 1HE MET 43 4.543 0.616 -1.876 281 HE3 MET 43 2HE MET 43 3.314 1.818 -1.482 282 H LEU 44 H LEU 44 -0.032 1.883 -3.759 283 HA LEU 44 HA LEU 44 0.387 0.274 -1.330 284 HB2 LEU 44 1HB LEU 44 -1.962 1.164 -1.636 285 HB3 LEU 44 2HB LEU 44 -2.070 0.132 -3.061 286 HG LEU 44 HG LEU 44 -1.479 -1.783 -1.415 287 HD11 LEU 44 1HD1 LEU 44 -2.453 -1.297 0.863 288 HD12 LEU 44 2HD1 LEU 44 -2.339 0.413 0.449 289 HD13 LEU 44 3HD1 LEU 44 -0.880 -0.575 0.523 290 HD21 LEU 44 3HD2 LEU 44 -3.975 -1.768 -0.675 291 HD22 LEU 44 1HD2 LEU 44 -3.567 -1.916 -2.385 292 HD23 LEU 44 2HD2 LEU 44 -4.087 -0.361 -1.734 293 H LEU 45 H LEU 45 1.601 -1.434 -1.763 294 HA LEU 45 HA LEU 45 1.335 -2.720 -4.400 295 HB2 LEU 45 1HB LEU 45 3.660 -3.195 -4.430 296 HB3 LEU 45 2HB LEU 45 3.473 -1.478 -4.081 297 HG LEU 45 HG LEU 45 3.683 -2.386 -1.578 298 HD11 LEU 45 1HD1 LEU 45 5.772 -4.119 -2.620 299 HD12 LEU 45 2HD1 LEU 45 4.149 -4.701 -2.987 300 HD13 LEU 45 3HD1 LEU 45 4.617 -4.391 -1.315 301 HD21 LEU 45 3HD2 LEU 45 5.651 -1.286 -1.574 302 HD22 LEU 45 1HD2 LEU 45 5.175 -0.853 -3.216 303 HD23 LEU 45 2HD2 LEU 45 6.287 -2.196 -2.946 304 H ILE 46 H ILE 46 1.896 -5.025 -4.428 305 HA ILE 46 HA ILE 46 1.398 -6.328 -1.832 306 HB ILE 46 HB ILE 46 0.375 -7.284 -4.507 307 HG12 ILE 46 1HG1 ILE 46 -0.820 -5.277 -3.805 308 HG13 ILE 46 2HG1 ILE 46 -1.858 -6.688 -3.634 309 HG21 ILE 46 1HG2 ILE 46 0.327 -8.391 -1.744 310 HG22 ILE 46 2HG2 ILE 46 -1.045 -8.696 -2.807 311 HG23 ILE 46 3HG2 ILE 46 0.572 -9.213 -3.284 312 HD11 ILE 46 3HD1 ILE 46 -1.091 -4.765 -1.676 313 HD12 ILE 46 1HD1 ILE 46 -2.243 -6.094 -1.544 314 HD13 ILE 46 2HD1 ILE 46 -0.538 -6.363 -1.176 315 H GLY 47 H GLY 47 2.391 -8.347 -1.485 316 HA2 GLY 47 1HA GLY 47 4.409 -9.144 -3.476 317 HA3 GLY 47 2HA GLY 47 4.888 -8.872 -1.807 318 H VAL 48 H VAL 48 2.168 -10.563 -3.377 319 HA VAL 48 HA VAL 48 1.754 -12.523 -1.515 320 HB VAL 48 HB VAL 48 1.019 -13.989 -3.460 321 HG11 VAL 48 1HG1 VAL 48 -0.922 -12.581 -3.959 322 HG12 VAL 48 2HG1 VAL 48 -0.520 -12.544 -2.241 323 HG13 VAL 48 3HG1 VAL 48 -0.084 -11.187 -3.279 324 HG21 VAL 48 3HG2 VAL 48 1.075 -13.195 -5.650 325 HG22 VAL 48 1HG2 VAL 48 1.418 -11.541 -5.143 326 HG23 VAL 48 2HG2 VAL 48 2.670 -12.778 -5.025 327 H HIS 49 H HIS 49 2.940 -14.110 -0.697 328 HA HIS 49 HA HIS 49 5.345 -14.965 -2.146 329 HB2 HIS 49 1HB HIS 49 5.274 -14.089 0.342 330 HB3 HIS 49 2HB HIS 49 4.801 -15.750 0.689 331 HD1 HIS 49 1HD HIS 49 7.640 -13.833 -0.936 332 HD2 HIS 49 2HD HIS 49 6.875 -17.511 0.838 333 HE1 HIS 49 1HE HIS 49 9.875 -14.971 -0.759 334 H GLY 50 H GLY 50 5.767 -17.112 -2.585 335 HA2 GLY 50 1HA GLY 50 3.472 -18.934 -2.211 336 HA3 GLY 50 2HA GLY 50 4.539 -18.973 -3.607 337 HA PRO 51 HA PRO 51 7.203 -20.685 0.033 338 HB2 PRO 51 1HB PRO 51 5.981 -20.975 2.440 339 HB3 PRO 51 2HB PRO 51 6.819 -19.494 1.961 340 HG2 PRO 51 1HG PRO 51 3.890 -20.113 1.915 341 HG3 PRO 51 2HG PRO 51 4.713 -18.632 2.438 342 HD2 PRO 51 1HD PRO 51 3.532 -18.863 0.012 343 HD3 PRO 51 2HD PRO 51 4.976 -17.865 0.280 344 H THR 52 H THR 52 3.862 -21.509 -0.387 345 HA THR 52 HA THR 52 4.568 -24.358 -0.177 346 HB THR 52 HB THR 52 2.181 -24.747 0.599 347 HG1 THR 52 1HG THR 52 2.365 -21.928 0.879 348 HG21 THR 52 3HG2 THR 52 4.358 -24.628 2.027 349 HG22 THR 52 1HG2 THR 52 2.790 -24.639 2.834 350 HG23 THR 52 2HG2 THR 52 3.666 -23.122 2.628 351 H THR 53 H THR 53 2.439 -21.915 -1.575 352 HA THR 53 HA THR 53 2.382 -23.323 -4.081 353 HB THR 53 HB THR 53 -0.255 -22.915 -2.661 354 HG1 THR 53 1HG THR 53 0.651 -24.673 -1.695 355 HG21 THR 53 3HG2 THR 53 -0.496 -24.733 -4.773 356 HG22 THR 53 1HG2 THR 53 0.486 -23.413 -5.405 357 HG23 THR 53 2HG2 THR 53 -1.103 -23.078 -4.718 358 HA PRO 54 HA PRO 54 2.239 -18.978 -5.092 359 HB2 PRO 54 1HB PRO 54 2.536 -19.318 -7.769 360 HB3 PRO 54 2HB PRO 54 3.883 -19.436 -6.630 361 HG2 PRO 54 1HG PRO 54 2.274 -21.621 -7.894 362 HG3 PRO 54 2HG PRO 54 4.027 -21.523 -7.646 363 HD2 PRO 54 1HD PRO 54 2.405 -22.965 -6.027 364 HD3 PRO 54 2HD PRO 54 3.877 -22.166 -5.438 365 H CYS 55 H CYS 55 0.767 -17.562 -6.048 366 HA CYS 55 HA CYS 55 -1.870 -18.675 -6.492 367 HB2 CYS 55 1HB CYS 55 -0.774 -15.905 -6.128 368 HB3 CYS 55 2HB CYS 55 -2.395 -16.132 -6.776 369 HG CYS 55 HG CYS 55 -1.806 -17.867 -3.975 370 H GLU 56 H GLU 56 -3.172 -18.182 -8.341 371 HA GLU 56 HA GLU 56 -1.864 -18.605 -10.793 372 HB2 GLU 56 1HB GLU 56 -4.658 -17.925 -9.984 373 HB3 GLU 56 2HB GLU 56 -4.216 -17.798 -11.681 374 HG2 GLU 56 1HG GLU 56 -3.612 -20.294 -10.160 375 HG3 GLU 56 2HG GLU 56 -5.237 -19.997 -10.776 376 H GLU 57 H GLU 57 -3.227 -15.681 -9.333 377 HA GLU 57 HA GLU 57 -1.392 -13.973 -10.634 378 HB2 GLU 57 1HB GLU 57 -2.884 -12.784 -12.143 379 HB3 GLU 57 2HB GLU 57 -2.793 -14.481 -12.593 380 HG2 GLU 57 1HG GLU 57 -4.931 -14.853 -11.383 381 HG3 GLU 57 2HG GLU 57 -5.034 -13.112 -11.127 382 H VAL 58 H VAL 58 -2.019 -11.617 -10.317 383 HA VAL 58 HA VAL 58 -3.797 -11.270 -8.003 384 HB VAL 58 HB VAL 58 -1.026 -10.083 -8.222 385 HG11 VAL 58 1HG1 VAL 58 -3.134 -9.838 -6.078 386 HG12 VAL 58 2HG1 VAL 58 -1.473 -9.259 -5.935 387 HG13 VAL 58 3HG1 VAL 58 -2.553 -8.554 -7.139 388 HG21 VAL 58 3HG2 VAL 58 -1.706 -12.630 -7.424 389 HG22 VAL 58 1HG2 VAL 58 -0.231 -11.767 -6.989 390 HG23 VAL 58 2HG2 VAL 58 -1.620 -11.741 -5.903 391 H SER 59 H SER 59 -5.372 -10.130 -9.006 392 HA SER 59 HA SER 59 -4.696 -7.955 -10.810 393 HB2 SER 59 1HB SER 59 -6.620 -9.573 -11.198 394 HB3 SER 59 2HB SER 59 -7.457 -8.753 -9.880 395 HG SER 59 HG SER 59 -6.794 -6.788 -11.287 396 H MET 60 H MET 60 -4.122 -6.076 -9.944 397 HA MET 60 HA MET 60 -5.540 -5.152 -7.533 398 HB2 MET 60 1HB MET 60 -2.836 -4.199 -8.471 399 HB3 MET 60 2HB MET 60 -3.594 -3.915 -6.910 400 HG2 MET 60 1HG MET 60 -3.205 -6.087 -6.184 401 HG3 MET 60 2HG MET 60 -2.959 -6.690 -7.821 402 HE1 MET 60 3HE MET 60 -1.331 -3.280 -6.933 403 HE2 MET 60 1HE MET 60 -1.542 -3.991 -5.333 404 HE3 MET 60 2HE MET 60 0.079 -3.757 -5.987 405 H LYS 61 H LYS 61 -6.777 -3.402 -7.713 406 HA LYS 61 HA LYS 61 -6.198 -1.410 -9.768 407 HB2 LYS 61 1HB LYS 61 -8.615 -3.144 -9.661 408 HB3 LYS 61 2HB LYS 61 -8.847 -1.455 -10.093 409 HG2 LYS 61 1HG LYS 61 -6.720 -2.974 -11.500 410 HG3 LYS 61 2HG LYS 61 -8.403 -3.310 -11.912 411 HD2 LYS 61 1HD LYS 61 -8.549 -0.683 -12.029 412 HD3 LYS 61 2HD LYS 61 -6.809 -0.819 -12.289 413 HE2 LYS 61 1HE LYS 61 -7.467 -2.584 -14.070 414 HE3 LYS 61 2HE LYS 61 -9.063 -1.841 -13.975 415 HZ1 LYS 61 3HZ LYS 61 -6.514 -0.561 -14.777 416 HZ2 LYS 61 1HZ LYS 61 -7.908 0.326 -14.410 417 HZ3 LYS 61 2HZ LYS 61 -7.914 -0.760 -15.706 418 H HIS 62 H HIS 62 -6.603 0.631 -9.119 419 HA HIS 62 HA HIS 62 -7.451 1.033 -6.386 420 HB2 HIS 62 1HB HIS 62 -5.592 2.350 -7.087 421 HB3 HIS 62 2HB HIS 62 -6.437 2.898 -8.532 422 HD1 HIS 62 1HD HIS 62 -7.154 5.243 -8.324 423 HD2 HIS 62 2HD HIS 62 -7.229 3.289 -4.658 424 HE1 HIS 62 1HE HIS 62 -7.929 6.963 -6.661 425 H VAL 63 H VAL 63 -9.658 0.313 -6.660 426 HA VAL 63 HA VAL 63 -11.574 1.226 -8.366 427 HB VAL 63 HB VAL 63 -13.179 1.061 -6.365 428 HG11 VAL 63 1HG1 VAL 63 -12.762 -1.463 -6.224 429 HG12 VAL 63 2HG1 VAL 63 -13.083 -0.772 -7.816 430 HG13 VAL 63 3HG1 VAL 63 -11.431 -1.173 -7.344 431 HG21 VAL 63 3HG2 VAL 63 -10.904 -0.267 -4.959 432 HG22 VAL 63 1HG2 VAL 63 -11.139 1.472 -4.790 433 HG23 VAL 63 2HG2 VAL 63 -12.417 0.358 -4.305 434 H GLY 64 H GLY 64 -9.977 3.018 -5.867 435 HA2 GLY 64 1HA GLY 64 -9.945 5.441 -6.101 436 HA3 GLY 64 2HA GLY 64 -11.640 5.357 -6.560 437 H ASN 65 H ASN 65 -11.743 7.057 -4.848 438 HA ASN 65 HA ASN 65 -12.196 7.773 -2.727 439 HB2 ASN 65 1HB ASN 65 -13.597 5.165 -3.050 440 HB3 ASN 65 2HB ASN 65 -13.557 5.871 -1.437 441 HD21 ASN 65 1HD2 ASN 65 -14.398 8.030 -1.182 442 HD22 ASN 65 2HD2 ASN 65 -15.663 8.579 -2.223 443 H GLN 66 H GLN 66 -9.602 6.621 -3.043 444 HA GLN 66 HA GLN 66 -7.809 6.024 -1.778 445 HB2 GLN 66 1HB GLN 66 -9.681 6.390 0.566 446 HB3 GLN 66 2HB GLN 66 -7.925 6.336 0.636 447 HG2 GLN 66 1HG GLN 66 -8.344 8.591 0.738 448 HG3 GLN 66 2HG GLN 66 -8.046 8.352 -0.983 449 HE21 GLN 66 1HE2 GLN 66 -10.753 8.202 1.311 450 HE22 GLN 66 2HE2 GLN 66 -11.884 9.018 0.291 451 H GLN 67 H GLN 67 -9.651 4.015 -2.784 452 HA GLN 67 HA GLN 67 -9.074 1.866 -0.854 453 HB2 GLN 67 1HB GLN 67 -11.459 2.046 -2.703 454 HB3 GLN 67 2HB GLN 67 -11.101 0.713 -1.613 455 HG2 GLN 67 1HG GLN 67 -11.416 2.131 0.304 456 HG3 GLN 67 2HG GLN 67 -11.630 3.541 -0.733 457 HE21 GLN 67 1HE2 GLN 67 -13.309 1.765 1.222 458 HE22 GLN 67 2HE2 GLN 67 -14.825 1.649 0.402 459 H TYR 68 H TYR 68 -8.333 -0.080 -1.672 460 HA TYR 68 HA TYR 68 -7.730 -0.126 -4.555 461 HB2 TYR 68 1HB TYR 68 -5.922 -0.956 -2.277 462 HB3 TYR 68 2HB TYR 68 -5.587 -1.273 -3.976 463 HD1 TYR 68 1HD TYR 68 -5.924 1.375 -1.429 464 HD2 TYR 68 2HD TYR 68 -4.745 0.441 -5.409 465 HE1 TYR 68 1HE TYR 68 -4.845 3.577 -1.620 466 HE2 TYR 68 2HE TYR 68 -3.661 2.640 -5.610 467 HH TYR 68 HH TYR 68 -2.698 4.363 -4.092 468 H ASN 69 H ASN 69 -8.697 -1.777 -5.509 469 HA ASN 69 HA ASN 69 -9.611 -4.047 -3.943 470 HB2 ASN 69 1HB ASN 69 -10.874 -2.749 -5.867 471 HB3 ASN 69 2HB ASN 69 -9.994 -3.870 -6.902 472 HD21 ASN 69 1HD2 ASN 69 -9.983 -6.121 -5.304 473 HD22 ASN 69 2HD2 ASN 69 -11.601 -6.703 -5.138 474 H VAL 70 H VAL 70 -8.467 -5.844 -3.731 475 HA VAL 70 HA VAL 70 -6.606 -6.601 -5.885 476 HB VAL 70 HB VAL 70 -6.093 -6.908 -2.923 477 HG11 VAL 70 1HG1 VAL 70 -4.534 -7.733 -5.358 478 HG12 VAL 70 2HG1 VAL 70 -3.792 -7.560 -3.766 479 HG13 VAL 70 3HG1 VAL 70 -5.081 -8.738 -4.016 480 HG21 VAL 70 3HG2 VAL 70 -5.524 -4.735 -3.128 481 HG22 VAL 70 1HG2 VAL 70 -4.061 -5.394 -3.860 482 HG23 VAL 70 2HG2 VAL 70 -5.382 -4.828 -4.883 483 H THR 71 H THR 71 -7.302 -8.421 -6.775 484 HA THR 71 HA THR 71 -8.457 -10.492 -5.022 485 HB THR 71 HB THR 71 -9.169 -10.406 -7.921 486 HG1 THR 71 1HG THR 71 -10.956 -9.019 -7.329 487 HG21 THR 71 3HG2 THR 71 -11.332 -11.258 -6.966 488 HG22 THR 71 1HG2 THR 71 -10.551 -11.279 -5.386 489 HG23 THR 71 2HG2 THR 71 -9.938 -12.302 -6.685 490 H TYR 72 H TYR 72 -7.938 -12.647 -5.463 491 HA TYR 72 HA TYR 72 -5.980 -13.187 -7.561 492 HB2 TYR 72 1HB TYR 72 -4.498 -14.371 -5.962 493 HB3 TYR 72 2HB TYR 72 -4.588 -12.641 -5.653 494 HD1 TYR 72 1HD TYR 72 -6.279 -15.805 -4.595 495 HD2 TYR 72 2HD TYR 72 -4.867 -11.953 -3.468 496 HE1 TYR 72 1HE TYR 72 -6.912 -16.262 -2.263 497 HE2 TYR 72 2HE TYR 72 -5.495 -12.400 -1.133 498 HH TYR 72 HH TYR 72 -7.144 -13.894 0.076 499 H VAL 73 H VAL 73 -5.407 -15.651 -7.451 500 HA VAL 73 HA VAL 73 -7.732 -17.237 -6.641 501 HB VAL 73 HB VAL 73 -6.562 -17.287 -9.426 502 HG11 VAL 73 1HG1 VAL 73 -7.131 -19.476 -9.200 503 HG12 VAL 73 2HG1 VAL 73 -8.323 -19.151 -7.939 504 HG13 VAL 73 3HG1 VAL 73 -8.717 -18.835 -9.629 505 HG21 VAL 73 3HG2 VAL 73 -9.088 -16.786 -9.903 506 HG22 VAL 73 1HG2 VAL 73 -9.062 -16.156 -8.256 507 HG23 VAL 73 2HG2 VAL 73 -7.985 -15.478 -9.476 508 H VAL 74 H VAL 74 -7.076 -18.962 -5.552 509 HA VAL 74 HA VAL 74 -4.296 -19.830 -5.782 510 HB VAL 74 HB VAL 74 -4.840 -21.241 -3.781 511 HG11 VAL 74 1HG1 VAL 74 -4.292 -19.542 -2.397 512 HG12 VAL 74 2HG1 VAL 74 -4.120 -18.652 -3.911 513 HG13 VAL 74 3HG1 VAL 74 -5.603 -18.510 -2.967 514 HG21 VAL 74 3HG2 VAL 74 -6.901 -21.390 -2.899 515 HG22 VAL 74 1HG2 VAL 74 -7.252 -19.685 -3.180 516 HG23 VAL 74 2HG2 VAL 74 -7.438 -20.851 -4.490 517 H LYS 75 H LYS 75 -3.694 -21.966 -6.195 518 HA LYS 75 HA LYS 75 -5.780 -23.607 -7.477 519 HB2 LYS 75 1HB LYS 75 -2.945 -23.033 -8.218 520 HB3 LYS 75 2HB LYS 75 -3.613 -24.608 -8.624 521 HG2 LYS 75 1HG LYS 75 -4.722 -21.940 -9.474 522 HG3 LYS 75 2HG LYS 75 -3.817 -23.068 -10.487 523 HD2 LYS 75 1HD LYS 75 -5.673 -24.757 -9.826 524 HD3 LYS 75 2HD LYS 75 -6.593 -23.315 -9.387 525 HE2 LYS 75 1HE LYS 75 -6.006 -22.459 -11.727 526 HE3 LYS 75 2HE LYS 75 -5.532 -24.120 -12.080 527 HZ1 LYS 75 3HZ LYS 75 -8.207 -23.046 -11.485 528 HZ2 LYS 75 1HZ LYS 75 -7.865 -24.673 -11.170 529 HZ3 LYS 75 2HZ LYS 75 -7.721 -24.067 -12.743 530 H GLU 76 H GLU 76 -4.748 -23.526 -4.640 531 HA GLU 76 HA GLU 76 -4.723 -26.341 -4.216 532 HB2 GLU 76 1HB GLU 76 -2.358 -25.935 -4.934 533 HB3 GLU 76 2HB GLU 76 -2.164 -24.886 -3.536 534 HG2 GLU 76 1HG GLU 76 -2.173 -26.623 -2.052 535 HG3 GLU 76 2HG GLU 76 -3.133 -27.662 -3.104 536 H ARG 77 H ARG 77 -4.334 -26.842 -1.834 537 HA ARG 77 HA ARG 77 -5.361 -24.612 -0.203 538 HB2 ARG 77 1HB ARG 77 -6.495 -26.316 1.180 539 HB3 ARG 77 2HB ARG 77 -7.059 -26.320 -0.486 540 HG2 ARG 77 1HG ARG 77 -5.222 -28.186 -0.750 541 HG3 ARG 77 2HG ARG 77 -5.476 -28.354 0.989 542 HD2 ARG 77 1HD ARG 77 -8.006 -28.361 0.302 543 HD3 ARG 77 2HD ARG 77 -7.364 -28.845 -1.268 544 HE ARG 77 HE ARG 77 -7.576 -30.465 1.059 545 HH11 ARG 77 1HH1 ARG 77 -5.600 -29.874 -1.746 546 HH12 ARG 77 2HH1 ARG 77 -4.973 -31.488 -1.806 547 HH21 ARG 77 1HH2 ARG 77 -6.758 -32.593 0.990 548 HH22 ARG 77 2HH2 ARG 77 -5.634 -33.034 -0.250 549 H GLY 78 H GLY 78 -4.744 -24.603 2.053 550 HA2 GLY 78 1HA GLY 78 -3.171 -26.093 3.558 551 HA3 GLY 78 2HA GLY 78 -1.991 -25.531 2.383 552 H ASP 79 H ASP 79 -0.749 -24.242 3.644 553 HA ASP 79 HA ASP 79 -2.098 -22.076 5.111 554 HB2 ASP 79 1HB ASP 79 0.191 -21.880 6.260 555 HB3 ASP 79 2HB ASP 79 -0.799 -23.281 6.660 556 H TYR 80 H TYR 80 -2.242 -20.364 3.792 557 HA TYR 80 HA TYR 80 -0.051 -19.717 1.985 558 HB2 TYR 80 1HB TYR 80 -2.871 -18.734 2.304 559 HB3 TYR 80 2HB TYR 80 -1.706 -17.808 1.366 560 HD1 TYR 80 1HD TYR 80 -3.469 -21.048 1.587 561 HD2 TYR 80 2HD TYR 80 -1.073 -18.488 -0.822 562 HE1 TYR 80 1HE TYR 80 -3.921 -22.473 -0.366 563 HE2 TYR 80 2HE TYR 80 -1.519 -19.905 -2.782 564 HH TYR 80 HH TYR 80 -2.184 -22.204 -3.278 565 H VAL 81 H VAL 81 0.681 -17.439 1.840 566 HA VAL 81 HA VAL 81 0.635 -16.048 4.429 567 HB VAL 81 HB VAL 81 3.109 -16.595 2.784 568 HG11 VAL 81 1HG1 VAL 81 4.104 -15.480 4.968 569 HG12 VAL 81 2HG1 VAL 81 3.602 -14.513 3.579 570 HG13 VAL 81 3HG1 VAL 81 2.537 -14.672 4.976 571 HG21 VAL 81 3HG2 VAL 81 1.907 -17.857 5.135 572 HG22 VAL 81 1HG2 VAL 81 3.111 -18.475 4.004 573 HG23 VAL 81 2HG2 VAL 81 3.606 -17.432 5.337 574 H LEU 82 H LEU 82 -0.535 -14.299 3.849 575 HA LEU 82 HA LEU 82 -0.061 -12.955 1.326 576 HB2 LEU 82 1HB LEU 82 -2.333 -13.133 2.065 577 HB3 LEU 82 2HB LEU 82 -1.935 -12.401 3.617 578 HG LEU 82 HG LEU 82 -1.394 -10.287 2.357 579 HD11 LEU 82 1HD1 LEU 82 -1.626 -11.948 0.141 580 HD12 LEU 82 2HD1 LEU 82 -1.477 -10.191 0.140 581 HD13 LEU 82 3HD1 LEU 82 -3.073 -10.940 0.102 582 HD21 LEU 82 3HD2 LEU 82 -3.382 -9.947 3.348 583 HD22 LEU 82 1HD2 LEU 82 -4.031 -11.497 2.812 584 HD23 LEU 82 2HD2 LEU 82 -4.023 -10.118 1.713 585 H ALA 83 H ALA 83 1.486 -11.498 1.083 586 HA ALA 83 HA ALA 83 2.391 -9.987 3.444 587 HB1 ALA 83 3HB ALA 83 4.492 -9.631 2.145 588 HB2 ALA 83 1HB ALA 83 4.167 -11.315 2.553 589 HB3 ALA 83 2HB ALA 83 3.858 -10.728 0.919 590 H VAL 84 H VAL 84 1.453 -8.048 3.502 591 HA VAL 84 HA VAL 84 1.220 -6.535 0.981 592 HB VAL 84 HB VAL 84 -0.495 -6.273 3.456 593 HG11 VAL 84 1HG1 VAL 84 -0.154 -4.624 1.042 594 HG12 VAL 84 2HG1 VAL 84 -1.823 -4.967 1.500 595 HG13 VAL 84 3HG1 VAL 84 -0.736 -4.183 2.647 596 HG21 VAL 84 3HG2 VAL 84 -2.175 -6.947 1.433 597 HG22 VAL 84 1HG2 VAL 84 -0.735 -7.872 1.005 598 HG23 VAL 84 2HG2 VAL 84 -1.488 -8.094 2.584 599 H LYS 85 H LYS 85 2.281 -4.664 0.836 600 HA LYS 85 HA LYS 85 3.359 -3.482 3.313 601 HB2 LYS 85 1HB LYS 85 4.626 -3.774 0.594 602 HB3 LYS 85 2HB LYS 85 5.222 -2.627 1.786 603 HG2 LYS 85 1HG LYS 85 5.649 -4.450 3.344 604 HG3 LYS 85 2HG LYS 85 5.026 -5.609 2.168 605 HD2 LYS 85 1HD LYS 85 7.321 -5.743 1.852 606 HD3 LYS 85 2HD LYS 85 6.824 -4.609 0.594 607 HE2 LYS 85 1HE LYS 85 7.515 -2.738 1.943 608 HE3 LYS 85 2HE LYS 85 7.863 -3.800 3.307 609 HZ1 LYS 85 3HZ LYS 85 9.343 -4.819 1.247 610 HZ2 LYS 85 1HZ LYS 85 9.926 -3.878 2.526 611 HZ3 LYS 85 2HZ LYS 85 9.499 -3.144 1.063 612 H TRP 86 H TRP 86 3.558 -1.195 3.374 613 HA TRP 86 HA TRP 86 2.064 0.260 1.304 614 HB2 TRP 86 1HB TRP 86 0.435 0.034 3.004 615 HB3 TRP 86 2HB TRP 86 1.609 0.336 4.281 616 HD1 TRP 86 HD TRP 86 1.808 2.767 5.126 617 HE1 TRP 86 1HE TRP 86 0.823 5.031 4.400 618 HE3 TRP 86 3HE TRP 86 -0.333 1.342 0.707 619 HZ2 TRP 86 2HZ TRP 86 -0.666 6.075 2.241 620 HZ3 TRP 86 3HZ TRP 86 -1.519 3.034 -0.628 621 HH2 TRP 86 HH TRP 86 -1.682 5.351 0.125 622 H GLY 87 H GLY 87 3.856 1.237 0.438 623 HA2 GLY 87 1HA GLY 87 5.581 2.740 0.254 624 HA3 GLY 87 2HA GLY 87 4.789 3.605 1.562 625 H GLU 88 H GLU 88 6.935 0.835 0.959 626 HA GLU 88 HA GLU 88 8.681 -0.021 2.142 627 HB2 GLU 88 1HB GLU 88 8.828 2.898 2.847 628 HB3 GLU 88 2HB GLU 88 9.973 1.745 3.518 629 HG2 GLU 88 1HG GLU 88 10.536 1.076 1.173 630 HG3 GLU 88 2HG GLU 88 9.545 2.425 0.622 631 H GLU 89 H GLU 89 6.204 -0.476 3.288 632 HA GLU 89 HA GLU 89 6.971 -0.868 6.051 633 HB2 GLU 89 1HB GLU 89 4.523 0.745 5.315 634 HB3 GLU 89 2HB GLU 89 4.843 0.101 6.920 635 HG2 GLU 89 1HG GLU 89 7.033 1.412 6.809 636 HG3 GLU 89 2HG GLU 89 6.307 2.255 5.442 637 H HIS 90 H HIS 90 4.940 -1.945 7.213 638 HA HIS 90 HA HIS 90 3.667 -3.813 5.334 639 HB2 HIS 90 1HB HIS 90 5.294 -4.464 7.773 640 HB3 HIS 90 2HB HIS 90 4.024 -5.557 7.230 641 HD1 HIS 90 1HD HIS 90 4.799 -7.302 5.668 642 HD2 HIS 90 2HD HIS 90 7.207 -3.920 5.512 643 HE1 HIS 90 1HE HIS 90 6.643 -7.864 4.053 644 H ILE 91 H ILE 91 1.557 -3.454 5.506 645 HA ILE 91 HA ILE 91 0.144 -2.095 7.361 646 HB ILE 91 HB ILE 91 -1.849 -3.355 6.742 647 HG12 ILE 91 1HG1 ILE 91 -0.021 -5.235 5.241 648 HG13 ILE 91 2HG1 ILE 91 -0.697 -5.603 6.824 649 HG21 ILE 91 1HG2 ILE 91 0.065 -2.807 4.482 650 HG22 ILE 91 2HG2 ILE 91 -1.655 -3.125 4.259 651 HG23 ILE 91 3HG2 ILE 91 -1.132 -1.709 5.170 652 HD11 ILE 91 3HD1 ILE 91 -2.006 -6.665 5.120 653 HD12 ILE 91 1HD1 ILE 91 -2.957 -5.381 5.865 654 HD13 ILE 91 2HD1 ILE 91 -2.227 -5.131 4.279 655 HA PRO 92 HA PRO 92 0.162 -4.275 11.178 656 HB2 PRO 92 1HB PRO 92 -2.227 -3.482 12.196 657 HB3 PRO 92 2HB PRO 92 -0.825 -2.411 12.090 658 HG2 PRO 92 1HG PRO 92 -3.195 -2.614 10.273 659 HG3 PRO 92 2HG PRO 92 -2.378 -1.165 10.888 660 HD2 PRO 92 1HD PRO 92 -1.950 -2.130 8.395 661 HD3 PRO 92 2HD PRO 92 -0.686 -1.303 9.328 662 H GLY 93 H GLY 93 0.054 -6.442 10.510 663 HA2 GLY 93 1HA GLY 93 -1.721 -8.158 11.415 664 HA3 GLY 93 2HA GLY 93 -2.593 -7.583 10.001 665 H SER 94 H SER 94 0.257 -7.283 8.781 666 HA SER 94 HA SER 94 0.304 -10.010 7.719 667 HB2 SER 94 1HB SER 94 0.292 -8.660 5.866 668 HB3 SER 94 2HB SER 94 1.116 -7.337 6.691 669 HG SER 94 HG SER 94 2.956 -8.092 6.015 670 HA PRO 95 HA PRO 95 1.870 -10.988 6.246 671 HB2 PRO 95 1HB PRO 95 2.726 -13.522 6.711 672 HB3 PRO 95 2HB PRO 95 3.759 -12.273 6.006 673 HG2 PRO 95 1HG PRO 95 3.619 -13.241 8.835 674 HG3 PRO 95 2HG PRO 95 5.045 -12.871 7.849 675 HD2 PRO 95 1HD PRO 95 4.069 -11.153 9.700 676 HD3 PRO 95 2HD PRO 95 4.863 -10.602 8.211 677 H PHE 96 H PHE 96 -0.198 -11.572 6.124 678 HA PHE 96 HA PHE 96 -1.653 -12.418 8.434 679 HB2 PHE 96 1HB PHE 96 -2.339 -11.900 5.564 680 HB3 PHE 96 2HB PHE 96 -3.494 -12.743 6.592 681 HD1 PHE 96 2HD PHE 96 -1.714 -9.581 6.035 682 HD2 PHE 96 1HD PHE 96 -4.691 -11.599 8.312 683 HE1 PHE 96 2HE PHE 96 -2.507 -7.421 6.906 684 HE2 PHE 96 1HE PHE 96 -5.489 -9.442 9.186 685 HZ PHE 96 HZ PHE 96 -4.397 -7.349 8.484 686 H HIS 97 H HIS 97 -2.932 -14.368 8.588 687 HA HIS 97 HA HIS 97 -1.595 -16.657 7.308 688 HB2 HIS 97 1HB HIS 97 -1.304 -16.744 9.684 689 HB3 HIS 97 2HB HIS 97 -3.012 -16.420 9.965 690 HD1 HIS 97 1HD HIS 97 -3.523 -18.555 11.228 691 HD2 HIS 97 2HD HIS 97 -1.812 -19.235 7.504 692 HE1 HIS 97 1HE HIS 97 -3.745 -21.028 10.827 693 H VAL 98 H VAL 98 -2.778 -17.130 5.540 694 HA VAL 98 HA VAL 98 -5.700 -17.250 5.786 695 HB VAL 98 HB VAL 98 -3.961 -17.303 3.316 696 HG11 VAL 98 1HG1 VAL 98 -5.750 -17.799 2.065 697 HG12 VAL 98 2HG1 VAL 98 -6.459 -18.389 3.569 698 HG13 VAL 98 3HG1 VAL 98 -6.815 -16.755 3.006 699 HG21 VAL 98 3HG2 VAL 98 -5.181 -15.158 4.881 700 HG22 VAL 98 1HG2 VAL 98 -3.891 -15.095 3.680 701 HG23 VAL 98 2HG2 VAL 98 -5.577 -15.096 3.164 702 H THR 99 H THR 99 -6.665 -19.148 6.025 703 HA THR 99 HA THR 99 -5.165 -21.587 5.343 704 HB THR 99 HB THR 99 -7.493 -21.271 7.250 705 HG1 THR 99 1HG THR 99 -4.722 -21.725 7.759 706 HG21 THR 99 3HG2 THR 99 -6.605 -23.553 5.923 707 HG22 THR 99 1HG2 THR 99 -7.630 -23.498 7.357 708 HG23 THR 99 2HG2 THR 99 -5.882 -23.660 7.528 709 H VAL 100 H VAL 100 -5.902 -22.923 3.812 710 HA VAL 100 HA VAL 100 -8.574 -22.385 2.691 711 HB VAL 100 HB VAL 100 -6.143 -23.545 1.322 712 HG11 VAL 100 1HG1 VAL 100 -7.391 -24.034 -0.506 713 HG12 VAL 100 2HG1 VAL 100 -8.657 -24.222 0.709 714 HG13 VAL 100 3HG1 VAL 100 -8.534 -22.723 -0.214 715 HG21 VAL 100 3HG2 VAL 100 -6.987 -21.282 -0.037 716 HG22 VAL 100 1HG2 VAL 100 -7.134 -20.843 1.665 717 HG23 VAL 100 2HG2 VAL 100 -5.587 -21.405 1.029 718 HA PRO 101 HA PRO 101 -9.735 -26.434 4.033 719 HB2 PRO 101 1HB PRO 101 -11.999 -26.664 2.553 720 HB3 PRO 101 2HB PRO 101 -11.894 -25.649 3.996 721 HG2 PRO 101 1HG PRO 101 -11.700 -24.868 1.112 722 HG3 PRO 101 2HG PRO 101 -12.567 -24.064 2.433 723 HD2 PRO 101 1HD PRO 101 -10.159 -23.209 1.539 724 HD3 PRO 101 2HD PRO 101 -10.661 -23.046 3.235 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.513 22.722 1.059 2 HA2 GLY 1 1HA GLY 1 -11.166 20.420 0.803 3 HA3 GLY 1 2HA GLY 1 -11.271 20.687 -0.931 4 H SER 2 H SER 2 -9.327 20.847 -2.155 5 HA SER 2 HA SER 2 -7.224 19.171 -1.080 6 HB2 SER 2 1HB SER 2 -8.225 19.060 -3.465 7 HB3 SER 2 2HB SER 2 -7.189 20.445 -3.807 8 HG SER 2 HG SER 2 -5.402 19.207 -3.328 9 H SER 3 H SER 3 -5.796 20.145 0.211 10 HA SER 3 HA SER 3 -4.628 22.694 -0.701 11 HB2 SER 3 1HB SER 3 -4.249 23.259 1.674 12 HB3 SER 3 2HB SER 3 -5.962 23.038 1.322 13 HG SER 3 HG SER 3 -5.390 20.726 2.029 14 H GLY 4 H GLY 4 -4.033 19.685 1.081 15 HA2 GLY 4 1HA GLY 4 -1.751 18.851 -0.071 16 HA3 GLY 4 2HA GLY 4 -1.164 20.097 1.021 17 H SER 5 H SER 5 0.021 18.134 1.835 18 HA SER 5 HA SER 5 -1.576 16.896 3.970 19 HB2 SER 5 1HB SER 5 -0.436 14.765 3.638 20 HB3 SER 5 2HB SER 5 -1.240 15.251 2.145 21 HG SER 5 HG SER 5 1.517 15.545 2.757 22 H SER 6 H SER 6 0.027 15.738 5.556 23 HA SER 6 HA SER 6 2.551 17.143 5.854 24 HB2 SER 6 1HB SER 6 0.583 18.455 6.979 25 HB3 SER 6 2HB SER 6 0.704 17.206 8.218 26 HG SER 6 HG SER 6 2.099 19.330 8.174 27 H GLY 7 H GLY 7 3.920 15.514 6.150 28 HA2 GLY 7 1HA GLY 7 4.913 13.908 7.595 29 HA3 GLY 7 2HA GLY 7 3.323 13.560 8.256 30 H SER 8 H SER 8 5.560 11.932 6.929 31 HA SER 8 HA SER 8 4.677 10.915 4.485 32 HB2 SER 8 1HB SER 8 6.894 10.394 5.231 33 HB3 SER 8 2HB SER 8 6.284 9.628 6.698 34 HG SER 8 HG SER 8 5.451 8.639 4.215 35 H SER 9 H SER 9 3.563 8.986 3.952 36 HA SER 9 HA SER 9 1.194 8.566 5.426 37 HB2 SER 9 1HB SER 9 2.286 6.636 3.383 38 HB3 SER 9 2HB SER 9 0.601 6.992 3.760 39 HG SER 9 HG SER 9 2.476 8.601 2.387 40 H ASP 10 H ASP 10 0.602 7.043 6.880 41 HA ASP 10 HA ASP 10 2.737 5.314 7.911 42 HB2 ASP 10 1HB ASP 10 1.311 7.022 9.329 43 HB3 ASP 10 2HB ASP 10 0.141 5.706 9.343 44 H ALA 11 H ALA 11 2.366 3.118 8.351 45 HA ALA 11 HA ALA 11 0.376 1.902 6.598 46 HB1 ALA 11 3HB ALA 11 2.858 1.243 6.692 47 HB2 ALA 11 1HB ALA 11 2.429 0.391 8.176 48 HB3 ALA 11 2HB ALA 11 1.655 -0.046 6.652 49 H SER 12 H SER 12 1.287 2.016 10.004 50 HA SER 12 HA SER 12 -0.398 0.044 11.005 51 HB2 SER 12 1HB SER 12 1.395 1.378 12.246 52 HB3 SER 12 2HB SER 12 0.171 2.631 12.451 53 HG SER 12 HG SER 12 -1.104 1.132 13.565 54 H LYS 13 H LYS 13 -1.199 2.990 9.538 55 HA LYS 13 HA LYS 13 -3.781 3.235 10.856 56 HB2 LYS 13 1HB LYS 13 -2.623 4.844 8.573 57 HB3 LYS 13 2HB LYS 13 -4.071 5.236 9.491 58 HG2 LYS 13 1HG LYS 13 -1.280 5.103 10.614 59 HG3 LYS 13 2HG LYS 13 -2.142 6.579 10.174 60 HD2 LYS 13 1HD LYS 13 -3.171 4.593 12.193 61 HD3 LYS 13 2HD LYS 13 -2.185 5.993 12.622 62 HE2 LYS 13 1HE LYS 13 -3.885 7.449 11.551 63 HE3 LYS 13 2HE LYS 13 -4.884 6.024 11.274 64 HZ1 LYS 13 3HZ LYS 13 -4.126 6.085 13.975 65 HZ2 LYS 13 1HZ LYS 13 -5.679 6.217 13.315 66 HZ3 LYS 13 2HZ LYS 13 -4.747 7.605 13.567 67 H VAL 14 H VAL 14 -2.414 2.173 7.811 68 HA VAL 14 HA VAL 14 -4.740 2.043 6.267 69 HB VAL 14 HB VAL 14 -2.189 0.453 6.196 70 HG11 VAL 14 1HG1 VAL 14 -3.434 -1.163 5.209 71 HG12 VAL 14 2HG1 VAL 14 -4.723 -0.047 4.754 72 HG13 VAL 14 3HG1 VAL 14 -3.239 -0.115 3.804 73 HG21 VAL 14 3HG2 VAL 14 -1.684 2.502 5.326 74 HG22 VAL 14 1HG2 VAL 14 -2.275 1.711 3.865 75 HG23 VAL 14 2HG2 VAL 14 -3.331 2.796 4.769 76 H THR 15 H THR 15 -6.339 0.555 6.022 77 HA THR 15 HA THR 15 -6.290 -1.788 7.808 78 HB THR 15 HB THR 15 -8.711 -1.541 8.151 79 HG1 THR 15 1HG THR 15 -9.634 -0.354 6.643 80 HG21 THR 15 3HG2 THR 15 -6.988 -0.451 9.665 81 HG22 THR 15 1HG2 THR 15 -8.622 0.204 9.749 82 HG23 THR 15 2HG2 THR 15 -7.372 1.064 8.850 83 H SER 16 H SER 16 -7.219 -3.676 7.039 84 HA SER 16 HA SER 16 -8.141 -3.644 4.245 85 HB2 SER 16 1HB SER 16 -6.877 -5.671 3.777 86 HB3 SER 16 2HB SER 16 -5.781 -4.419 4.363 87 HG SER 16 HG SER 16 -5.727 -5.426 6.353 88 H LYS 17 H LYS 17 -9.826 -4.974 3.762 89 HA LYS 17 HA LYS 17 -10.779 -6.811 5.846 90 HB2 LYS 17 1HB LYS 17 -13.031 -6.026 5.668 91 HB3 LYS 17 2HB LYS 17 -12.007 -4.625 5.958 92 HG2 LYS 17 1HG LYS 17 -12.636 -5.341 3.146 93 HG3 LYS 17 2HG LYS 17 -13.903 -4.605 4.130 94 HD2 LYS 17 1HD LYS 17 -12.096 -2.857 4.732 95 HD3 LYS 17 2HD LYS 17 -11.247 -3.478 3.315 96 HE2 LYS 17 1HE LYS 17 -12.460 -1.756 2.392 97 HE3 LYS 17 2HE LYS 17 -13.552 -3.117 2.139 98 HZ1 LYS 17 3HZ LYS 17 -14.605 -1.064 3.054 99 HZ2 LYS 17 1HZ LYS 17 -13.729 -1.306 4.480 100 HZ3 LYS 17 2HZ LYS 17 -14.862 -2.457 3.979 101 H GLY 18 H GLY 18 -12.321 -8.422 5.045 102 HA2 GLY 18 1HA GLY 18 -13.390 -9.192 2.864 103 HA3 GLY 18 2HA GLY 18 -11.759 -9.070 2.222 104 H ALA 19 H ALA 19 -13.359 -11.421 2.232 105 HA ALA 19 HA ALA 19 -12.623 -13.156 4.360 106 HB1 ALA 19 3HB ALA 19 -13.660 -13.724 1.589 107 HB2 ALA 19 1HB ALA 19 -13.419 -14.957 2.827 108 HB3 ALA 19 2HB ALA 19 -14.584 -13.659 3.090 109 H GLY 20 H GLY 20 -11.410 -12.758 1.036 110 HA2 GLY 20 1HA GLY 20 -9.574 -14.724 0.800 111 HA3 GLY 20 2HA GLY 20 -9.266 -13.091 0.229 112 H LEU 21 H LEU 21 -9.241 -11.874 2.841 113 HA LEU 21 HA LEU 21 -6.507 -12.309 3.493 114 HB2 LEU 21 1HB LEU 21 -8.624 -10.772 4.991 115 HB3 LEU 21 2HB LEU 21 -6.888 -10.677 5.277 116 HG LEU 21 HG LEU 21 -8.124 -9.928 2.639 117 HD11 LEU 21 1HD1 LEU 21 -8.390 -8.565 5.143 118 HD12 LEU 21 2HD1 LEU 21 -9.014 -8.118 3.556 119 HD13 LEU 21 3HD1 LEU 21 -7.397 -7.609 4.044 120 HD21 LEU 21 3HD2 LEU 21 -5.446 -9.803 3.884 121 HD22 LEU 21 1HD2 LEU 21 -5.935 -8.413 2.914 122 HD23 LEU 21 2HD2 LEU 21 -5.907 -10.023 2.195 123 H SER 22 H SER 22 -9.566 -13.264 4.955 124 HA SER 22 HA SER 22 -8.297 -14.440 7.262 125 HB2 SER 22 1HB SER 22 -10.592 -13.437 7.326 126 HB3 SER 22 2HB SER 22 -11.154 -14.769 6.316 127 HG SER 22 HG SER 22 -11.534 -15.423 8.364 128 H LYS 23 H LYS 23 -10.195 -15.738 4.535 129 HA LYS 23 HA LYS 23 -8.466 -18.064 4.423 130 HB2 LYS 23 1HB LYS 23 -10.404 -19.639 4.526 131 HB3 LYS 23 2HB LYS 23 -10.053 -18.835 6.051 132 HG2 LYS 23 1HG LYS 23 -11.885 -17.278 5.666 133 HG3 LYS 23 2HG LYS 23 -12.227 -18.053 4.118 134 HD2 LYS 23 1HD LYS 23 -13.078 -19.955 5.107 135 HD3 LYS 23 2HD LYS 23 -12.175 -19.706 6.604 136 HE2 LYS 23 1HE LYS 23 -14.451 -19.261 7.098 137 HE3 LYS 23 2HE LYS 23 -13.635 -17.700 7.022 138 HZ1 LYS 23 3HZ LYS 23 -15.278 -17.143 5.643 139 HZ2 LYS 23 1HZ LYS 23 -15.743 -18.747 5.371 140 HZ3 LYS 23 2HZ LYS 23 -14.474 -18.070 4.479 141 H ALA 24 H ALA 24 -8.550 -19.156 2.451 142 HA ALA 24 HA ALA 24 -10.251 -17.914 0.389 143 HB1 ALA 24 3HB ALA 24 -8.480 -17.959 -1.178 144 HB2 ALA 24 1HB ALA 24 -7.815 -17.257 0.297 145 HB3 ALA 24 2HB ALA 24 -7.467 -18.936 -0.116 146 H PHE 25 H PHE 25 -10.908 -19.262 -1.344 147 HA PHE 25 HA PHE 25 -10.747 -22.140 -0.730 148 HB2 PHE 25 1HB PHE 25 -12.993 -20.777 -2.219 149 HB3 PHE 25 2HB PHE 25 -12.962 -22.422 -1.591 150 HD1 PHE 25 1HD PHE 25 -12.628 -22.616 1.001 151 HD2 PHE 25 2HD PHE 25 -14.048 -19.139 -1.000 152 HE1 PHE 25 1HE PHE 25 -13.661 -21.838 3.094 153 HE2 PHE 25 2HE PHE 25 -15.083 -18.354 1.089 154 HZ PHE 25 HZ PHE 25 -14.889 -19.704 3.140 155 H VAL 26 H VAL 26 -9.989 -23.470 -2.260 156 HA VAL 26 HA VAL 26 -8.552 -22.628 -4.442 157 HB VAL 26 HB VAL 26 -9.975 -25.269 -4.088 158 HG11 VAL 26 1HG1 VAL 26 -7.662 -24.667 -5.921 159 HG12 VAL 26 2HG1 VAL 26 -8.570 -26.174 -5.788 160 HG13 VAL 26 3HG1 VAL 26 -9.342 -24.735 -6.454 161 HG21 VAL 26 3HG2 VAL 26 -8.272 -25.930 -2.786 162 HG22 VAL 26 1HG2 VAL 26 -7.067 -25.125 -3.791 163 HG23 VAL 26 2HG2 VAL 26 -7.962 -24.206 -2.580 164 H GLY 27 H GLY 27 -8.952 -22.134 -6.535 165 HA2 GLY 27 1HA GLY 27 -10.134 -21.935 -8.526 166 HA3 GLY 27 2HA GLY 27 -11.481 -22.780 -7.778 167 H GLN 28 H GLN 28 -12.097 -21.228 -5.640 168 HA GLN 28 HA GLN 28 -13.597 -19.154 -6.788 169 HB2 GLN 28 1HB GLN 28 -12.826 -19.493 -3.885 170 HB3 GLN 28 2HB GLN 28 -14.154 -18.517 -4.498 171 HG2 GLN 28 1HG GLN 28 -15.172 -20.594 -5.412 172 HG3 GLN 28 2HG GLN 28 -13.901 -21.511 -4.604 173 HE21 GLN 28 1HE2 GLN 28 -15.866 -18.733 -3.609 174 HE22 GLN 28 2HE2 GLN 28 -16.493 -19.470 -2.177 175 H LYS 29 H LYS 29 -13.299 -16.983 -6.961 176 HA LYS 29 HA LYS 29 -10.568 -16.027 -6.686 177 HB2 LYS 29 1HB LYS 29 -12.298 -15.622 -8.651 178 HB3 LYS 29 2HB LYS 29 -12.794 -14.277 -7.632 179 HG2 LYS 29 1HG LYS 29 -10.351 -13.593 -7.600 180 HG3 LYS 29 2HG LYS 29 -10.120 -14.760 -8.904 181 HD2 LYS 29 1HD LYS 29 -12.311 -12.754 -9.146 182 HD3 LYS 29 2HD LYS 29 -10.647 -12.229 -9.414 183 HE2 LYS 29 1HE LYS 29 -11.578 -14.707 -10.769 184 HE3 LYS 29 2HE LYS 29 -12.157 -13.159 -11.381 185 HZ1 LYS 29 3HZ LYS 29 -10.263 -13.220 -12.553 186 HZ2 LYS 29 1HZ LYS 29 -9.512 -14.325 -11.515 187 HZ3 LYS 29 2HZ LYS 29 -9.540 -12.680 -11.121 188 H SER 30 H SER 30 -10.117 -15.575 -4.591 189 HA SER 30 HA SER 30 -12.004 -14.264 -2.866 190 HB2 SER 30 1HB SER 30 -9.222 -15.307 -2.601 191 HB3 SER 30 2HB SER 30 -9.762 -14.095 -1.438 192 HG SER 30 HG SER 30 -11.085 -16.541 -2.016 193 H SER 31 H SER 31 -12.227 -12.152 -2.476 194 HA SER 31 HA SER 31 -10.203 -10.321 -3.591 195 HB2 SER 31 1HB SER 31 -11.832 -8.928 -4.453 196 HB3 SER 31 2HB SER 31 -12.626 -10.491 -4.641 197 HG SER 31 HG SER 31 -13.425 -9.927 -2.370 198 H PHE 32 H PHE 32 -9.910 -8.310 -2.483 199 HA PHE 32 HA PHE 32 -11.120 -7.922 0.104 200 HB2 PHE 32 1HB PHE 32 -9.009 -7.985 1.366 201 HB3 PHE 32 2HB PHE 32 -9.388 -9.556 0.668 202 HD1 PHE 32 2HD PHE 32 -8.078 -10.445 -1.180 203 HD2 PHE 32 1HD PHE 32 -7.117 -6.710 0.621 204 HE1 PHE 32 2HE PHE 32 -5.863 -10.504 -2.248 205 HE2 PHE 32 1HE PHE 32 -4.900 -6.762 -0.446 206 HZ PHE 32 HZ PHE 32 -4.270 -8.662 -1.881 207 H LEU 33 H LEU 33 -11.132 -5.815 0.664 208 HA LEU 33 HA LEU 33 -9.693 -3.965 -1.103 209 HB2 LEU 33 1HB LEU 33 -12.236 -3.914 -0.802 210 HB3 LEU 33 2HB LEU 33 -11.905 -3.233 0.790 211 HG LEU 33 HG LEU 33 -10.590 -1.425 -0.475 212 HD11 LEU 33 1HD1 LEU 33 -12.362 -1.872 -2.780 213 HD12 LEU 33 2HD1 LEU 33 -11.003 -2.986 -2.634 214 HD13 LEU 33 3HD1 LEU 33 -10.714 -1.248 -2.714 215 HD21 LEU 33 3HD2 LEU 33 -12.394 -0.386 0.325 216 HD22 LEU 33 1HD2 LEU 33 -13.440 -1.767 -0.006 217 HD23 LEU 33 2HD2 LEU 33 -13.091 -0.600 -1.281 218 H VAL 34 H VAL 34 -8.595 -2.153 -0.246 219 HA VAL 34 HA VAL 34 -7.965 -2.299 2.626 220 HB VAL 34 HB VAL 34 -5.932 -1.782 0.452 221 HG11 VAL 34 1HG1 VAL 34 -5.810 -0.818 2.927 222 HG12 VAL 34 2HG1 VAL 34 -5.182 -2.436 3.246 223 HG13 VAL 34 3HG1 VAL 34 -4.381 -1.393 2.069 224 HG21 VAL 34 3HG2 VAL 34 -5.315 -4.086 1.983 225 HG22 VAL 34 1HG2 VAL 34 -6.979 -4.242 1.421 226 HG23 VAL 34 2HG2 VAL 34 -5.678 -3.980 0.261 227 H ASP 35 H ASP 35 -8.639 -0.470 3.517 228 HA ASP 35 HA ASP 35 -8.859 1.962 1.959 229 HB2 ASP 35 1HB ASP 35 -10.614 1.260 3.594 230 HB3 ASP 35 2HB ASP 35 -9.455 1.531 4.892 231 H CYS 36 H CYS 36 -7.177 3.261 1.701 232 HA CYS 36 HA CYS 36 -5.198 3.453 3.874 233 HB2 CYS 36 1HB CYS 36 -4.860 3.875 0.899 234 HB3 CYS 36 2HB CYS 36 -3.613 4.213 2.093 235 HG CYS 36 HG CYS 36 -4.185 1.436 0.543 236 H SER 37 H SER 37 -7.786 4.980 3.218 237 HA SER 37 HA SER 37 -7.204 7.591 2.443 238 HB2 SER 37 1HB SER 37 -9.498 6.631 2.722 239 HB3 SER 37 2HB SER 37 -9.294 6.762 4.469 240 HG SER 37 HG SER 37 -9.323 8.936 4.325 241 H LYS 38 H LYS 38 -7.704 6.467 5.794 242 HA LYS 38 HA LYS 38 -6.688 8.801 6.994 243 HB2 LYS 38 1HB LYS 38 -6.622 7.481 9.064 244 HB3 LYS 38 2HB LYS 38 -8.133 7.243 8.196 245 HG2 LYS 38 1HG LYS 38 -7.010 5.159 7.210 246 HG3 LYS 38 2HG LYS 38 -5.830 5.356 8.508 247 HD2 LYS 38 1HD LYS 38 -7.349 3.945 9.505 248 HD3 LYS 38 2HD LYS 38 -7.969 5.517 10.013 249 HE2 LYS 38 1HE LYS 38 -9.414 5.384 7.882 250 HE3 LYS 38 2HE LYS 38 -9.015 3.667 7.897 251 HZ1 LYS 38 3HZ LYS 38 -10.850 5.124 9.545 252 HZ2 LYS 38 1HZ LYS 38 -9.786 4.173 10.453 253 HZ3 LYS 38 2HZ LYS 38 -10.746 3.460 9.257 254 H ALA 39 H ALA 39 -5.111 6.211 5.458 255 HA ALA 39 HA ALA 39 -2.695 6.099 6.895 256 HB1 ALA 39 3HB ALA 39 -2.329 4.460 5.448 257 HB2 ALA 39 1HB ALA 39 -3.759 4.946 4.538 258 HB3 ALA 39 2HB ALA 39 -2.184 5.631 4.137 259 H GLY 40 H GLY 40 -3.018 7.504 3.637 260 HA2 GLY 40 1HA GLY 40 -2.251 10.090 4.099 261 HA3 GLY 40 2HA GLY 40 -0.739 9.196 4.060 262 H SER 41 H SER 41 0.188 9.682 2.175 263 HA SER 41 HA SER 41 -1.399 9.260 -0.269 264 HB2 SER 41 1HB SER 41 -0.126 11.116 -1.332 265 HB3 SER 41 2HB SER 41 -1.129 11.660 0.013 266 HG SER 41 HG SER 41 1.506 11.914 -0.302 267 H ASN 42 H ASN 42 -0.243 7.106 0.323 268 HA ASN 42 HA ASN 42 2.369 7.078 -1.043 269 HB2 ASN 42 1HB ASN 42 1.415 5.658 1.403 270 HB3 ASN 42 2HB ASN 42 2.547 4.820 0.346 271 HD21 ASN 42 1HD2 ASN 42 3.873 4.947 2.319 272 HD22 ASN 42 2HD2 ASN 42 4.843 6.356 2.558 273 H MET 43 H MET 43 2.814 4.612 -1.700 274 HA MET 43 HA MET 43 0.565 3.901 -3.436 275 HB2 MET 43 1HB MET 43 2.174 2.678 -4.768 276 HB3 MET 43 2HB MET 43 2.777 4.304 -4.474 277 HG2 MET 43 1HG MET 43 4.388 3.560 -2.959 278 HG3 MET 43 2HG MET 43 3.597 1.999 -2.750 279 HE1 MET 43 3HE MET 43 2.902 0.789 -4.949 280 HE2 MET 43 1HE MET 43 4.011 0.490 -6.288 281 HE3 MET 43 2HE MET 43 4.317 -0.237 -4.711 282 H LEU 44 H LEU 44 -0.127 1.724 -3.656 283 HA LEU 44 HA LEU 44 0.475 0.048 -1.308 284 HB2 LEU 44 1HB LEU 44 -1.810 0.967 -1.323 285 HB3 LEU 44 2HB LEU 44 -2.093 0.194 -2.882 286 HG LEU 44 HG LEU 44 -1.446 -1.976 -1.487 287 HD11 LEU 44 1HD1 LEU 44 -2.648 -0.135 0.576 288 HD12 LEU 44 2HD1 LEU 44 -0.992 -0.742 0.576 289 HD13 LEU 44 3HD1 LEU 44 -2.341 -1.861 0.771 290 HD21 LEU 44 3HD2 LEU 44 -4.035 -0.544 -1.852 291 HD22 LEU 44 1HD2 LEU 44 -3.997 -2.016 -0.880 292 HD23 LEU 44 2HD2 LEU 44 -3.471 -2.058 -2.563 293 H LEU 45 H LEU 45 1.489 -1.782 -1.760 294 HA LEU 45 HA LEU 45 1.005 -3.062 -4.366 295 HB2 LEU 45 1HB LEU 45 3.284 -3.585 -4.628 296 HB3 LEU 45 2HB LEU 45 3.221 -1.878 -4.193 297 HG LEU 45 HG LEU 45 5.065 -2.866 -3.050 298 HD11 LEU 45 1HD1 LEU 45 4.635 -2.140 -0.900 299 HD12 LEU 45 2HD1 LEU 45 2.986 -2.764 -0.905 300 HD13 LEU 45 3HD1 LEU 45 3.382 -1.315 -1.828 301 HD21 LEU 45 3HD2 LEU 45 3.829 -5.207 -3.188 302 HD22 LEU 45 1HD2 LEU 45 3.385 -4.786 -1.533 303 HD23 LEU 45 2HD2 LEU 45 5.085 -4.882 -1.992 304 H ILE 46 H ILE 46 1.795 -5.404 -4.334 305 HA ILE 46 HA ILE 46 1.318 -6.628 -1.702 306 HB ILE 46 HB ILE 46 0.198 -7.724 -4.280 307 HG12 ILE 46 1HG1 ILE 46 -0.830 -5.532 -3.553 308 HG13 ILE 46 2HG1 ILE 46 -1.949 -6.887 -3.655 309 HG21 ILE 46 1HG2 ILE 46 0.756 -9.217 -2.253 310 HG22 ILE 46 2HG2 ILE 46 -0.646 -8.456 -1.503 311 HG23 ILE 46 3HG2 ILE 46 -0.834 -9.367 -3.001 312 HD11 ILE 46 3HD1 ILE 46 -0.724 -6.493 -1.022 313 HD12 ILE 46 1HD1 ILE 46 -1.779 -5.189 -1.564 314 HD13 ILE 46 2HD1 ILE 46 -2.396 -6.838 -1.463 315 H GLY 47 H GLY 47 2.427 -8.524 -1.273 316 HA2 GLY 47 1HA GLY 47 4.347 -9.390 -3.344 317 HA3 GLY 47 2HA GLY 47 4.846 -9.135 -1.679 318 H VAL 48 H VAL 48 2.123 -10.813 -3.259 319 HA VAL 48 HA VAL 48 1.672 -12.773 -1.420 320 HB VAL 48 HB VAL 48 0.931 -14.233 -3.317 321 HG11 VAL 48 1HG1 VAL 48 -0.013 -11.371 -3.449 322 HG12 VAL 48 2HG1 VAL 48 -0.908 -12.796 -3.983 323 HG13 VAL 48 3HG1 VAL 48 -0.548 -12.569 -2.271 324 HG21 VAL 48 3HG2 VAL 48 2.017 -13.920 -5.250 325 HG22 VAL 48 1HG2 VAL 48 0.925 -12.556 -5.486 326 HG23 VAL 48 2HG2 VAL 48 2.530 -12.294 -4.803 327 H HIS 49 H HIS 49 3.237 -13.874 -0.399 328 HA HIS 49 HA HIS 49 5.562 -14.856 -1.805 329 HB2 HIS 49 1HB HIS 49 5.332 -13.998 0.682 330 HB3 HIS 49 2HB HIS 49 4.911 -15.679 0.994 331 HD1 HIS 49 1HD HIS 49 7.756 -13.469 0.647 332 HD2 HIS 49 2HD HIS 49 7.033 -17.525 0.105 333 HE1 HIS 49 1HE HIS 49 10.022 -14.561 0.640 334 H GLY 50 H GLY 50 6.048 -16.961 -2.300 335 HA2 GLY 50 1HA GLY 50 3.803 -18.862 -2.057 336 HA3 GLY 50 2HA GLY 50 4.980 -18.872 -3.361 337 HA PRO 51 HA PRO 51 7.352 -20.522 0.511 338 HB2 PRO 51 1HB PRO 51 5.898 -20.918 2.769 339 HB3 PRO 51 2HB PRO 51 6.714 -19.393 2.407 340 HG2 PRO 51 1HG PRO 51 3.837 -20.136 2.041 341 HG3 PRO 51 2HG PRO 51 4.532 -18.633 2.674 342 HD2 PRO 51 1HD PRO 51 3.624 -18.861 0.133 343 HD3 PRO 51 2HD PRO 51 4.985 -17.808 0.570 344 H THR 52 H THR 52 4.040 -21.478 -0.085 345 HA THR 52 HA THR 52 4.871 -24.301 0.092 346 HB THR 52 HB THR 52 2.603 -24.907 0.768 347 HG1 THR 52 1HG THR 52 1.223 -23.401 0.074 348 HG21 THR 52 3HG2 THR 52 3.143 -22.776 2.731 349 HG22 THR 52 1HG2 THR 52 4.504 -23.839 2.373 350 HG23 THR 52 2HG2 THR 52 2.986 -24.518 2.961 351 H THR 53 H THR 53 2.708 -21.970 -1.464 352 HA THR 53 HA THR 53 3.012 -23.317 -3.994 353 HB THR 53 HB THR 53 0.319 -23.254 -2.628 354 HG1 THR 53 1HG THR 53 1.717 -25.092 -2.271 355 HG21 THR 53 3HG2 THR 53 0.240 -24.487 -5.205 356 HG22 THR 53 1HG2 THR 53 0.875 -22.851 -5.372 357 HG23 THR 53 2HG2 THR 53 -0.692 -23.115 -4.608 358 HA PRO 54 HA PRO 54 2.662 -19.050 -5.145 359 HB2 PRO 54 1HB PRO 54 2.769 -19.428 -7.831 360 HB3 PRO 54 2HB PRO 54 4.192 -19.537 -6.788 361 HG2 PRO 54 1HG PRO 54 2.489 -21.732 -7.905 362 HG3 PRO 54 2HG PRO 54 4.256 -21.638 -7.783 363 HD2 PRO 54 1HD PRO 54 2.747 -23.050 -6.033 364 HD3 PRO 54 2HD PRO 54 4.260 -22.251 -5.561 365 H CYS 55 H CYS 55 1.172 -17.639 -6.153 366 HA CYS 55 HA CYS 55 -1.510 -18.745 -6.351 367 HB2 CYS 55 1HB CYS 55 -0.708 -16.531 -5.135 368 HB3 CYS 55 2HB CYS 55 -0.945 -15.838 -6.734 369 HG CYS 55 HG CYS 55 -3.633 -16.399 -6.895 370 H GLU 56 H GLU 56 -2.911 -18.342 -8.126 371 HA GLU 56 HA GLU 56 -1.744 -18.760 -10.648 372 HB2 GLU 56 1HB GLU 56 -4.528 -17.967 -9.809 373 HB3 GLU 56 2HB GLU 56 -4.093 -18.225 -11.493 374 HG2 GLU 56 1HG GLU 56 -4.070 -20.229 -9.258 375 HG3 GLU 56 2HG GLU 56 -5.081 -20.224 -10.702 376 H GLU 57 H GLU 57 -3.088 -15.856 -9.136 377 HA GLU 57 HA GLU 57 -1.393 -14.117 -10.579 378 HB2 GLU 57 1HB GLU 57 -2.981 -13.003 -12.020 379 HB3 GLU 57 2HB GLU 57 -2.947 -14.715 -12.416 380 HG2 GLU 57 1HG GLU 57 -4.972 -14.919 -10.862 381 HG3 GLU 57 2HG GLU 57 -5.073 -13.164 -10.992 382 H VAL 58 H VAL 58 -2.347 -11.743 -10.388 383 HA VAL 58 HA VAL 58 -3.925 -11.402 -7.963 384 HB VAL 58 HB VAL 58 -1.124 -10.296 -8.214 385 HG11 VAL 58 1HG1 VAL 58 -1.997 -8.608 -7.012 386 HG12 VAL 58 2HG1 VAL 58 -3.428 -9.535 -6.558 387 HG13 VAL 58 3HG1 VAL 58 -1.916 -9.757 -5.677 388 HG21 VAL 58 3HG2 VAL 58 -0.949 -11.603 -5.976 389 HG22 VAL 58 1HG2 VAL 58 -2.340 -12.495 -6.593 390 HG23 VAL 58 2HG2 VAL 58 -0.828 -12.479 -7.501 391 H SER 59 H SER 59 -5.489 -10.159 -8.801 392 HA SER 59 HA SER 59 -4.814 -8.018 -10.663 393 HB2 SER 59 1HB SER 59 -6.811 -9.665 -10.901 394 HB3 SER 59 2HB SER 59 -7.597 -8.636 -9.704 395 HG SER 59 HG SER 59 -7.556 -6.958 -11.102 396 H MET 60 H MET 60 -4.279 -6.103 -9.866 397 HA MET 60 HA MET 60 -5.623 -5.178 -7.413 398 HB2 MET 60 1HB MET 60 -2.896 -4.296 -8.353 399 HB3 MET 60 2HB MET 60 -3.645 -3.988 -6.792 400 HG2 MET 60 1HG MET 60 -3.199 -6.080 -6.004 401 HG3 MET 60 2HG MET 60 -3.212 -6.807 -7.609 402 HE1 MET 60 3HE MET 60 -1.643 -3.649 -6.452 403 HE2 MET 60 1HE MET 60 -0.660 -4.448 -5.224 404 HE3 MET 60 2HE MET 60 0.093 -3.845 -6.700 405 H LYS 61 H LYS 61 -6.968 -3.544 -7.734 406 HA LYS 61 HA LYS 61 -6.314 -1.545 -9.786 407 HB2 LYS 61 1HB LYS 61 -8.791 -3.173 -9.512 408 HB3 LYS 61 2HB LYS 61 -8.976 -1.488 -9.981 409 HG2 LYS 61 1HG LYS 61 -8.821 -2.465 -12.032 410 HG3 LYS 61 2HG LYS 61 -7.118 -2.111 -11.733 411 HD2 LYS 61 1HD LYS 61 -6.578 -4.308 -11.403 412 HD3 LYS 61 2HD LYS 61 -8.184 -4.724 -10.799 413 HE2 LYS 61 1HE LYS 61 -7.655 -4.008 -13.672 414 HE3 LYS 61 2HE LYS 61 -7.550 -5.660 -13.067 415 HZ1 LYS 61 3HZ LYS 61 -9.952 -3.915 -13.016 416 HZ2 LYS 61 1HZ LYS 61 -9.867 -5.457 -12.324 417 HZ3 LYS 61 2HZ LYS 61 -9.715 -5.272 -13.998 418 H HIS 62 H HIS 62 -7.324 0.539 -9.450 419 HA HIS 62 HA HIS 62 -7.833 1.048 -6.598 420 HB2 HIS 62 1HB HIS 62 -5.902 2.246 -7.376 421 HB3 HIS 62 2HB HIS 62 -6.774 2.847 -8.783 422 HD1 HIS 62 1HD HIS 62 -7.374 5.220 -8.530 423 HD2 HIS 62 2HD HIS 62 -7.398 3.237 -4.879 424 HE1 HIS 62 1HE HIS 62 -8.004 6.958 -6.825 425 H VAL 63 H VAL 63 -10.063 0.474 -6.780 426 HA VAL 63 HA VAL 63 -11.913 1.477 -8.571 427 HB VAL 63 HB VAL 63 -13.552 1.288 -6.580 428 HG11 VAL 63 1HG1 VAL 63 -13.758 -1.015 -6.931 429 HG12 VAL 63 2HG1 VAL 63 -13.000 -0.419 -8.409 430 HG13 VAL 63 3HG1 VAL 63 -12.024 -1.224 -7.179 431 HG21 VAL 63 3HG2 VAL 63 -11.366 -0.277 -5.283 432 HG22 VAL 63 1HG2 VAL 63 -11.485 1.458 -4.990 433 HG23 VAL 63 2HG2 VAL 63 -12.835 0.400 -4.579 434 H GLY 64 H GLY 64 -10.216 3.130 -6.085 435 HA2 GLY 64 1HA GLY 64 -10.135 5.546 -6.178 436 HA3 GLY 64 2HA GLY 64 -11.833 5.534 -6.631 437 H ASN 65 H ASN 65 -11.664 7.202 -4.796 438 HA ASN 65 HA ASN 65 -12.155 7.828 -2.663 439 HB2 ASN 65 1HB ASN 65 -13.604 5.225 -2.983 440 HB3 ASN 65 2HB ASN 65 -13.602 6.027 -1.414 441 HD21 ASN 65 1HD2 ASN 65 -14.689 7.958 -1.159 442 HD22 ASN 65 2HD2 ASN 65 -15.813 8.553 -2.328 443 H GLN 66 H GLN 66 -9.623 6.480 -3.117 444 HA GLN 66 HA GLN 66 -7.830 5.788 -1.899 445 HB2 GLN 66 1HB GLN 66 -9.562 6.086 0.554 446 HB3 GLN 66 2HB GLN 66 -7.806 6.136 0.468 447 HG2 GLN 66 1HG GLN 66 -8.437 8.359 0.714 448 HG3 GLN 66 2HG GLN 66 -8.107 8.190 -1.009 449 HE21 GLN 66 1HE2 GLN 66 -10.772 7.957 1.315 450 HE22 GLN 66 2HE2 GLN 66 -11.966 8.654 0.279 451 H GLN 67 H GLN 67 -9.948 3.938 -2.838 452 HA GLN 67 HA GLN 67 -9.498 1.721 -0.951 453 HB2 GLN 67 1HB GLN 67 -11.712 2.095 -2.975 454 HB3 GLN 67 2HB GLN 67 -11.496 0.666 -1.974 455 HG2 GLN 67 1HG GLN 67 -11.921 1.916 0.019 456 HG3 GLN 67 2HG GLN 67 -11.932 3.433 -0.880 457 HE21 GLN 67 1HE2 GLN 67 -13.496 3.047 -2.956 458 HE22 GLN 67 2HE2 GLN 67 -15.093 2.583 -2.488 459 H TYR 68 H TYR 68 -8.411 -0.028 -1.622 460 HA TYR 68 HA TYR 68 -7.742 -0.206 -4.487 461 HB2 TYR 68 1HB TYR 68 -6.058 -0.841 -2.064 462 HB3 TYR 68 2HB TYR 68 -5.631 -1.360 -3.690 463 HD1 TYR 68 2HD TYR 68 -5.233 0.406 -5.456 464 HD2 TYR 68 1HD TYR 68 -5.565 1.339 -1.318 465 HE1 TYR 68 2HE TYR 68 -4.131 2.568 -5.861 466 HE2 TYR 68 1HE TYR 68 -4.465 3.503 -1.711 467 HH TYR 68 HH TYR 68 -3.146 4.346 -4.870 468 H ASN 69 H ASN 69 -8.758 -1.853 -5.405 469 HA ASN 69 HA ASN 69 -9.612 -4.134 -3.825 470 HB2 ASN 69 1HB ASN 69 -10.914 -2.877 -5.745 471 HB3 ASN 69 2HB ASN 69 -10.008 -3.971 -6.786 472 HD21 ASN 69 1HD2 ASN 69 -9.942 -6.146 -4.933 473 HD22 ASN 69 2HD2 ASN 69 -11.539 -6.803 -4.864 474 H VAL 70 H VAL 70 -8.507 -5.965 -3.663 475 HA VAL 70 HA VAL 70 -6.596 -6.662 -5.792 476 HB VAL 70 HB VAL 70 -6.121 -6.968 -2.823 477 HG11 VAL 70 1HG1 VAL 70 -4.568 -7.871 -5.230 478 HG12 VAL 70 2HG1 VAL 70 -3.805 -7.639 -3.656 479 HG13 VAL 70 3HG1 VAL 70 -5.101 -8.820 -3.843 480 HG21 VAL 70 3HG2 VAL 70 -4.077 -5.490 -4.083 481 HG22 VAL 70 1HG2 VAL 70 -5.611 -4.807 -4.623 482 HG23 VAL 70 2HG2 VAL 70 -5.255 -4.923 -2.899 483 H THR 71 H THR 71 -7.384 -8.428 -6.731 484 HA THR 71 HA THR 71 -8.512 -10.543 -5.015 485 HB THR 71 HB THR 71 -9.156 -10.430 -7.930 486 HG1 THR 71 1HG THR 71 -9.983 -8.600 -5.984 487 HG21 THR 71 3HG2 THR 71 -9.820 -12.256 -6.212 488 HG22 THR 71 1HG2 THR 71 -11.041 -11.655 -7.332 489 HG23 THR 71 2HG2 THR 71 -11.011 -11.077 -5.667 490 H TYR 72 H TYR 72 -7.947 -12.682 -5.429 491 HA TYR 72 HA TYR 72 -5.978 -13.221 -7.514 492 HB2 TYR 72 1HB TYR 72 -4.451 -14.326 -5.924 493 HB3 TYR 72 2HB TYR 72 -4.615 -12.606 -5.587 494 HD1 TYR 72 1HD TYR 72 -6.038 -15.900 -4.556 495 HD2 TYR 72 2HD TYR 72 -5.052 -11.922 -3.416 496 HE1 TYR 72 1HE TYR 72 -6.648 -16.421 -2.231 497 HE2 TYR 72 2HE TYR 72 -5.659 -12.432 -1.088 498 HH TYR 72 HH TYR 72 -7.484 -14.678 -0.114 499 H VAL 73 H VAL 73 -5.363 -15.674 -7.359 500 HA VAL 73 HA VAL 73 -7.655 -17.286 -6.512 501 HB VAL 73 HB VAL 73 -6.509 -17.361 -9.307 502 HG11 VAL 73 1HG1 VAL 73 -7.301 -19.539 -8.059 503 HG12 VAL 73 2HG1 VAL 73 -8.902 -18.925 -8.478 504 HG13 VAL 73 3HG1 VAL 73 -7.721 -19.252 -9.747 505 HG21 VAL 73 3HG2 VAL 73 -7.956 -15.583 -9.402 506 HG22 VAL 73 1HG2 VAL 73 -9.062 -16.913 -9.749 507 HG23 VAL 73 2HG2 VAL 73 -8.996 -16.221 -8.128 508 H VAL 74 H VAL 74 -7.100 -19.230 -5.711 509 HA VAL 74 HA VAL 74 -4.285 -20.059 -5.998 510 HB VAL 74 HB VAL 74 -4.657 -21.275 -3.808 511 HG11 VAL 74 1HG1 VAL 74 -4.980 -18.308 -3.496 512 HG12 VAL 74 2HG1 VAL 74 -4.011 -19.425 -2.533 513 HG13 VAL 74 3HG1 VAL 74 -3.511 -19.010 -4.173 514 HG21 VAL 74 3HG2 VAL 74 -6.702 -19.507 -2.848 515 HG22 VAL 74 1HG2 VAL 74 -7.299 -20.424 -4.231 516 HG23 VAL 74 2HG2 VAL 74 -6.651 -21.269 -2.826 517 H LYS 75 H LYS 75 -4.014 -21.827 -7.173 518 HA LYS 75 HA LYS 75 -6.200 -23.530 -7.888 519 HB2 LYS 75 1HB LYS 75 -3.972 -22.901 -9.179 520 HB3 LYS 75 2HB LYS 75 -3.367 -24.337 -8.364 521 HG2 LYS 75 1HG LYS 75 -4.109 -25.133 -10.413 522 HG3 LYS 75 2HG LYS 75 -5.440 -25.510 -9.316 523 HD2 LYS 75 1HD LYS 75 -6.348 -23.184 -10.070 524 HD3 LYS 75 2HD LYS 75 -5.265 -23.415 -11.444 525 HE2 LYS 75 1HE LYS 75 -7.354 -25.407 -10.574 526 HE3 LYS 75 2HE LYS 75 -7.605 -24.195 -11.830 527 HZ1 LYS 75 3HZ LYS 75 -5.767 -26.511 -11.858 528 HZ2 LYS 75 1HZ LYS 75 -5.564 -25.207 -12.918 529 HZ3 LYS 75 2HZ LYS 75 -6.987 -26.120 -12.964 530 H GLU 76 H GLU 76 -3.826 -23.521 -5.397 531 HA GLU 76 HA GLU 76 -4.600 -26.265 -4.647 532 HB2 GLU 76 1HB GLU 76 -2.168 -25.878 -5.259 533 HB3 GLU 76 2HB GLU 76 -2.054 -24.874 -3.820 534 HG2 GLU 76 1HG GLU 76 -2.192 -26.648 -2.396 535 HG3 GLU 76 2HG GLU 76 -3.128 -27.625 -3.526 536 H ARG 77 H ARG 77 -4.194 -26.597 -2.179 537 HA ARG 77 HA ARG 77 -5.297 -24.272 -0.743 538 HB2 ARG 77 1HB ARG 77 -6.663 -25.739 0.582 539 HB3 ARG 77 2HB ARG 77 -6.963 -26.091 -1.114 540 HG2 ARG 77 1HG ARG 77 -5.188 -27.943 -0.800 541 HG3 ARG 77 2HG ARG 77 -5.506 -27.720 0.922 542 HD2 ARG 77 1HD ARG 77 -8.010 -27.917 0.155 543 HD3 ARG 77 2HD ARG 77 -7.298 -28.747 -1.228 544 HE ARG 77 HE ARG 77 -7.488 -29.721 1.475 545 HH11 ARG 77 1HH1 ARG 77 -5.824 -29.986 -1.571 546 HH12 ARG 77 2HH1 ARG 77 -5.290 -31.609 -1.287 547 HH21 ARG 77 1HH2 ARG 77 -6.790 -31.858 1.862 548 HH22 ARG 77 2HH2 ARG 77 -5.840 -32.673 0.666 549 H GLY 78 H GLY 78 -5.087 -24.725 1.757 550 HA2 GLY 78 1HA GLY 78 -3.610 -25.894 3.384 551 HA3 GLY 78 2HA GLY 78 -2.314 -25.638 2.225 552 H ASP 79 H ASP 79 -1.345 -24.692 4.242 553 HA ASP 79 HA ASP 79 -2.323 -22.217 5.246 554 HB2 ASP 79 1HB ASP 79 0.369 -23.571 5.446 555 HB3 ASP 79 2HB ASP 79 -0.003 -22.047 6.246 556 H TYR 80 H TYR 80 -2.229 -20.281 4.337 557 HA TYR 80 HA TYR 80 -0.218 -19.814 2.234 558 HB2 TYR 80 1HB TYR 80 -3.084 -19.050 2.482 559 HB3 TYR 80 2HB TYR 80 -2.005 -17.900 1.699 560 HD1 TYR 80 1HD TYR 80 -3.519 -21.237 1.476 561 HD2 TYR 80 2HD TYR 80 -1.022 -18.384 -0.454 562 HE1 TYR 80 1HE TYR 80 -3.698 -22.509 -0.621 563 HE2 TYR 80 2HE TYR 80 -1.195 -19.647 -2.558 564 HH TYR 80 HH TYR 80 -2.575 -22.804 -2.697 565 H VAL 81 H VAL 81 0.635 -17.647 2.052 566 HA VAL 81 HA VAL 81 0.521 -16.113 4.564 567 HB VAL 81 HB VAL 81 2.999 -16.661 2.925 568 HG11 VAL 81 1HG1 VAL 81 4.197 -15.384 4.598 569 HG12 VAL 81 2HG1 VAL 81 2.933 -14.387 3.874 570 HG13 VAL 81 3HG1 VAL 81 2.699 -15.083 5.478 571 HG21 VAL 81 3HG2 VAL 81 2.550 -17.439 5.787 572 HG22 VAL 81 1HG2 VAL 81 2.049 -18.488 4.460 573 HG23 VAL 81 2HG2 VAL 81 3.748 -18.052 4.646 574 H LEU 82 H LEU 82 -0.425 -14.240 4.101 575 HA LEU 82 HA LEU 82 -0.043 -13.029 1.469 576 HB2 LEU 82 1HB LEU 82 -2.316 -13.163 2.146 577 HB3 LEU 82 2HB LEU 82 -1.951 -12.477 3.727 578 HG LEU 82 HG LEU 82 -1.434 -10.318 2.617 579 HD11 LEU 82 1HD1 LEU 82 -2.022 -9.955 0.320 580 HD12 LEU 82 2HD1 LEU 82 -2.591 -11.615 0.156 581 HD13 LEU 82 3HD1 LEU 82 -0.876 -11.293 0.405 582 HD21 LEU 82 3HD2 LEU 82 -3.818 -9.813 1.998 583 HD22 LEU 82 1HD2 LEU 82 -3.590 -10.548 3.585 584 HD23 LEU 82 2HD2 LEU 82 -4.165 -11.527 2.235 585 H ALA 83 H ALA 83 1.371 -11.449 1.161 586 HA ALA 83 HA ALA 83 2.305 -9.924 3.504 587 HB1 ALA 83 3HB ALA 83 3.971 -10.031 1.056 588 HB2 ALA 83 1HB ALA 83 4.447 -9.992 2.754 589 HB3 ALA 83 2HB ALA 83 3.868 -11.494 2.034 590 H VAL 84 H VAL 84 1.341 -7.996 3.518 591 HA VAL 84 HA VAL 84 1.080 -6.547 0.964 592 HB VAL 84 HB VAL 84 -0.595 -6.143 3.444 593 HG11 VAL 84 1HG1 VAL 84 -0.257 -4.666 0.974 594 HG12 VAL 84 2HG1 VAL 84 -1.933 -5.156 1.229 595 HG13 VAL 84 3HG1 VAL 84 -1.094 -4.208 2.457 596 HG21 VAL 84 3HG2 VAL 84 -0.989 -8.347 2.408 597 HG22 VAL 84 1HG2 VAL 84 -2.385 -7.278 2.272 598 HG23 VAL 84 2HG2 VAL 84 -1.339 -7.544 0.877 599 H LYS 85 H LYS 85 2.145 -4.686 0.757 600 HA LYS 85 HA LYS 85 3.304 -3.476 3.182 601 HB2 LYS 85 1HB LYS 85 4.370 -3.710 0.376 602 HB3 LYS 85 2HB LYS 85 5.000 -2.516 1.503 603 HG2 LYS 85 1HG LYS 85 5.517 -4.381 3.076 604 HG3 LYS 85 2HG LYS 85 5.053 -5.510 1.800 605 HD2 LYS 85 1HD LYS 85 7.316 -5.400 1.451 606 HD3 LYS 85 2HD LYS 85 6.770 -4.102 0.387 607 HE2 LYS 85 1HE LYS 85 7.462 -2.439 1.862 608 HE3 LYS 85 2HE LYS 85 7.502 -3.541 3.237 609 HZ1 LYS 85 3HZ LYS 85 9.389 -3.556 0.944 610 HZ2 LYS 85 1HZ LYS 85 9.420 -4.639 2.243 611 HZ3 LYS 85 2HZ LYS 85 9.728 -2.997 2.504 612 H TRP 86 H TRP 86 3.504 -1.165 3.224 613 HA TRP 86 HA TRP 86 1.735 0.256 1.356 614 HB2 TRP 86 1HB TRP 86 0.378 -0.036 3.298 615 HB3 TRP 86 2HB TRP 86 1.704 0.405 4.371 616 HD1 TRP 86 HD TRP 86 1.662 2.822 5.207 617 HE1 TRP 86 1HE TRP 86 0.512 5.006 4.477 618 HE3 TRP 86 3HE TRP 86 -0.520 1.184 0.883 619 HZ2 TRP 86 2HZ TRP 86 -1.105 5.914 2.349 620 HZ3 TRP 86 3HZ TRP 86 -1.852 2.773 -0.441 621 HH2 TRP 86 HH TRP 86 -2.138 5.089 0.279 622 H GLY 87 H GLY 87 3.593 1.042 0.294 623 HA2 GLY 87 1HA GLY 87 5.277 2.548 -0.113 624 HA3 GLY 87 2HA GLY 87 4.521 3.533 1.131 625 H GLU 88 H GLU 88 6.693 0.749 0.721 626 HA GLU 88 HA GLU 88 8.535 0.078 1.875 627 HB2 GLU 88 1HB GLU 88 8.538 3.029 2.455 628 HB3 GLU 88 2HB GLU 88 9.762 1.966 3.136 629 HG2 GLU 88 1HG GLU 88 10.011 1.215 0.621 630 HG3 GLU 88 2HG GLU 88 9.334 2.815 0.326 631 H GLU 89 H GLU 89 6.142 -0.502 3.090 632 HA GLU 89 HA GLU 89 6.971 -0.775 5.830 633 HB2 GLU 89 1HB GLU 89 4.482 0.811 5.176 634 HB3 GLU 89 2HB GLU 89 4.910 0.232 6.779 635 HG2 GLU 89 1HG GLU 89 7.058 1.559 6.520 636 HG3 GLU 89 2HG GLU 89 6.291 2.316 5.125 637 H HIS 90 H HIS 90 5.029 -1.852 7.099 638 HA HIS 90 HA HIS 90 3.669 -3.746 5.307 639 HB2 HIS 90 1HB HIS 90 5.389 -4.334 7.694 640 HB3 HIS 90 2HB HIS 90 4.085 -5.433 7.253 641 HD1 HIS 90 1HD HIS 90 4.861 -7.289 5.836 642 HD2 HIS 90 2HD HIS 90 7.098 -3.845 5.208 643 HE1 HIS 90 1HE HIS 90 6.595 -7.916 4.125 644 H ILE 91 H ILE 91 1.563 -3.412 5.542 645 HA ILE 91 HA ILE 91 0.221 -1.996 7.425 646 HB ILE 91 HB ILE 91 -1.802 -3.225 6.866 647 HG12 ILE 91 1HG1 ILE 91 -0.056 -5.168 5.349 648 HG13 ILE 91 2HG1 ILE 91 -0.677 -5.492 6.963 649 HG21 ILE 91 1HG2 ILE 91 0.062 -2.763 4.546 650 HG22 ILE 91 2HG2 ILE 91 -1.670 -3.045 4.378 651 HG23 ILE 91 3HG2 ILE 91 -1.088 -1.624 5.245 652 HD11 ILE 91 3HD1 ILE 91 -2.410 -4.894 4.580 653 HD12 ILE 91 1HD1 ILE 91 -1.993 -6.518 5.128 654 HD13 ILE 91 2HD1 ILE 91 -2.929 -5.447 6.172 655 HA PRO 92 HA PRO 92 0.342 -4.151 11.254 656 HB2 PRO 92 1HB PRO 92 -1.995 -3.309 12.349 657 HB3 PRO 92 2HB PRO 92 -0.578 -2.264 12.187 658 HG2 PRO 92 1HG PRO 92 -3.013 -2.435 10.454 659 HG3 PRO 92 2HG PRO 92 -2.150 -0.998 11.031 660 HD2 PRO 92 1HD PRO 92 -1.826 -1.986 8.531 661 HD3 PRO 92 2HD PRO 92 -0.516 -1.176 9.414 662 H GLY 93 H GLY 93 0.171 -6.318 10.571 663 HA2 GLY 93 1HA GLY 93 -1.599 -7.999 11.560 664 HA3 GLY 93 2HA GLY 93 -2.513 -7.414 10.177 665 H SER 94 H SER 94 0.322 -7.174 8.878 666 HA SER 94 HA SER 94 0.270 -9.901 7.813 667 HB2 SER 94 1HB SER 94 0.232 -8.563 5.954 668 HB3 SER 94 2HB SER 94 1.093 -7.247 6.753 669 HG SER 94 HG SER 94 2.890 -8.010 5.993 670 HA PRO 95 HA PRO 95 1.774 -10.903 6.283 671 HB2 PRO 95 1HB PRO 95 2.596 -13.454 6.713 672 HB3 PRO 95 2HB PRO 95 3.630 -12.222 5.981 673 HG2 PRO 95 1HG PRO 95 3.560 -13.197 8.810 674 HG3 PRO 95 2HG PRO 95 4.962 -12.850 7.781 675 HD2 PRO 95 1HD PRO 95 4.075 -11.121 9.667 676 HD3 PRO 95 2HD PRO 95 4.833 -10.579 8.156 677 H PHE 96 H PHE 96 -0.235 -11.708 6.096 678 HA PHE 96 HA PHE 96 -1.662 -12.460 8.492 679 HB2 PHE 96 1HB PHE 96 -2.445 -11.949 5.638 680 HB3 PHE 96 2HB PHE 96 -3.575 -12.721 6.746 681 HD1 PHE 96 2HD PHE 96 -1.652 -9.652 6.083 682 HD2 PHE 96 1HD PHE 96 -4.706 -11.479 8.416 683 HE1 PHE 96 2HE PHE 96 -2.323 -7.441 6.929 684 HE2 PHE 96 1HE PHE 96 -5.384 -9.271 9.265 685 HZ PHE 96 HZ PHE 96 -4.191 -7.249 8.523 686 H HIS 97 H HIS 97 -3.008 -14.396 8.600 687 HA HIS 97 HA HIS 97 -1.665 -16.687 7.334 688 HB2 HIS 97 1HB HIS 97 -1.543 -16.675 9.779 689 HB3 HIS 97 2HB HIS 97 -3.298 -16.568 9.879 690 HD1 HIS 97 1HD HIS 97 -3.306 -18.804 11.232 691 HD2 HIS 97 2HD HIS 97 -1.875 -19.130 7.346 692 HE1 HIS 97 1HE HIS 97 -3.272 -21.268 10.733 693 H VAL 98 H VAL 98 -2.772 -17.102 5.501 694 HA VAL 98 HA VAL 98 -5.703 -17.179 5.604 695 HB VAL 98 HB VAL 98 -3.844 -17.267 3.224 696 HG11 VAL 98 1HG1 VAL 98 -5.585 -18.177 2.164 697 HG12 VAL 98 2HG1 VAL 98 -6.674 -17.870 3.518 698 HG13 VAL 98 3HG1 VAL 98 -6.365 -16.604 2.329 699 HG21 VAL 98 3HG2 VAL 98 -3.906 -15.042 3.193 700 HG22 VAL 98 1HG2 VAL 98 -5.662 -15.033 3.351 701 HG23 VAL 98 2HG2 VAL 98 -4.648 -15.102 4.792 702 H THR 99 H THR 99 -6.662 -19.067 5.911 703 HA THR 99 HA THR 99 -5.212 -21.527 5.203 704 HB THR 99 HB THR 99 -7.516 -21.168 7.130 705 HG1 THR 99 1HG THR 99 -5.040 -20.570 7.505 706 HG21 THR 99 3HG2 THR 99 -5.974 -23.569 6.205 707 HG22 THR 99 1HG2 THR 99 -7.718 -23.362 6.362 708 HG23 THR 99 2HG2 THR 99 -6.717 -23.531 7.804 709 H VAL 100 H VAL 100 -5.944 -22.774 3.608 710 HA VAL 100 HA VAL 100 -8.647 -22.244 2.560 711 HB VAL 100 HB VAL 100 -6.231 -23.310 1.092 712 HG11 VAL 100 1HG1 VAL 100 -7.590 -24.024 -0.511 713 HG12 VAL 100 2HG1 VAL 100 -8.965 -23.656 0.532 714 HG13 VAL 100 3HG1 VAL 100 -8.370 -22.445 -0.603 715 HG21 VAL 100 3HG2 VAL 100 -7.330 -20.623 1.500 716 HG22 VAL 100 1HG2 VAL 100 -5.710 -21.127 1.017 717 HG23 VAL 100 2HG2 VAL 100 -6.999 -21.029 -0.184 718 HA PRO 101 HA PRO 101 -9.593 -26.375 3.890 719 HB2 PRO 101 1HB PRO 101 -12.067 -26.490 2.778 720 HB3 PRO 101 2HB PRO 101 -11.721 -25.595 4.263 721 HG2 PRO 101 1HG PRO 101 -11.983 -24.583 1.458 722 HG3 PRO 101 2HG PRO 101 -12.619 -23.890 2.961 723 HD2 PRO 101 1HD PRO 101 -10.375 -22.960 1.764 724 HD3 PRO 101 2HD PRO 101 -10.598 -22.936 3.525 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.451 14.180 -7.433 2 HA2 GLY 1 1HA GLY 1 5.075 14.893 -5.599 3 HA3 GLY 1 2HA GLY 1 4.103 16.187 -6.284 4 H SER 2 H SER 2 4.026 17.464 -4.473 5 HA SER 2 HA SER 2 2.774 16.292 -2.081 6 HB2 SER 2 1HB SER 2 3.739 18.185 -0.836 7 HB3 SER 2 2HB SER 2 4.990 17.273 -1.680 8 HG SER 2 HG SER 2 4.427 19.002 -3.412 9 H SER 3 H SER 3 0.680 16.693 -1.901 10 HA SER 3 HA SER 3 -0.638 18.730 -3.402 11 HB2 SER 3 1HB SER 3 -2.670 17.978 -2.221 12 HB3 SER 3 2HB SER 3 -1.758 16.615 -2.870 13 HG SER 3 HG SER 3 -1.837 15.896 -0.900 14 H GLY 4 H GLY 4 0.026 18.279 0.066 15 HA2 GLY 4 1HA GLY 4 0.522 20.982 0.585 16 HA3 GLY 4 2HA GLY 4 -1.176 20.683 0.923 17 H SER 5 H SER 5 -1.078 20.962 3.120 18 HA SER 5 HA SER 5 0.900 19.882 4.804 19 HB2 SER 5 1HB SER 5 -0.559 20.468 6.635 20 HB3 SER 5 2HB SER 5 -0.682 21.732 5.412 21 HG SER 5 HG SER 5 -2.572 20.454 4.651 22 H SER 6 H SER 6 1.330 17.787 4.985 23 HA SER 6 HA SER 6 -0.741 15.960 5.817 24 HB2 SER 6 1HB SER 6 -0.252 14.308 4.006 25 HB3 SER 6 2HB SER 6 -1.038 15.775 3.422 26 HG SER 6 HG SER 6 0.872 16.466 2.577 27 H GLY 7 H GLY 7 0.174 13.774 6.312 28 HA2 GLY 7 1HA GLY 7 2.954 14.085 7.254 29 HA3 GLY 7 2HA GLY 7 1.735 13.102 8.050 30 H SER 8 H SER 8 4.323 12.213 7.285 31 HA SER 8 HA SER 8 4.628 10.911 4.912 32 HB2 SER 8 1HB SER 8 6.109 9.373 6.031 33 HB3 SER 8 2HB SER 8 6.274 10.947 6.809 34 HG SER 8 HG SER 8 4.791 8.715 7.742 35 H SER 9 H SER 9 4.348 8.644 4.308 36 HA SER 9 HA SER 9 1.649 7.819 4.616 37 HB2 SER 9 1HB SER 9 2.144 6.111 3.073 38 HB3 SER 9 2HB SER 9 3.236 7.420 2.621 39 HG SER 9 HG SER 9 4.667 6.174 4.264 40 H ASP 10 H ASP 10 0.763 6.655 6.179 41 HA ASP 10 HA ASP 10 2.527 5.105 7.950 42 HB2 ASP 10 1HB ASP 10 -0.142 6.429 8.399 43 HB3 ASP 10 2HB ASP 10 0.482 5.206 9.503 44 H ALA 11 H ALA 11 2.093 2.976 8.425 45 HA ALA 11 HA ALA 11 0.304 1.624 6.551 46 HB1 ALA 11 3HB ALA 11 2.413 0.495 8.388 47 HB2 ALA 11 1HB ALA 11 1.482 -0.419 7.201 48 HB3 ALA 11 2HB ALA 11 2.605 0.832 6.668 49 H SER 12 H SER 12 0.852 2.031 10.007 50 HA SER 12 HA SER 12 -0.916 0.126 10.996 51 HB2 SER 12 1HB SER 12 0.668 1.415 12.397 52 HB3 SER 12 2HB SER 12 -0.328 2.854 12.174 53 HG SER 12 HG SER 12 -0.591 1.195 14.086 54 H LYS 13 H LYS 13 -1.520 3.305 9.669 55 HA LYS 13 HA LYS 13 -4.249 3.449 10.524 56 HB2 LYS 13 1HB LYS 13 -2.791 4.985 8.365 57 HB3 LYS 13 2HB LYS 13 -4.387 5.379 8.990 58 HG2 LYS 13 1HG LYS 13 -1.834 5.375 10.588 59 HG3 LYS 13 2HG LYS 13 -2.652 6.803 9.949 60 HD2 LYS 13 1HD LYS 13 -4.628 6.260 11.305 61 HD3 LYS 13 2HD LYS 13 -3.786 4.853 11.956 62 HE2 LYS 13 1HE LYS 13 -2.586 7.588 12.177 63 HE3 LYS 13 2HE LYS 13 -3.819 7.056 13.320 64 HZ1 LYS 13 3HZ LYS 13 -2.357 5.782 14.379 65 HZ2 LYS 13 1HZ LYS 13 -1.143 6.576 13.507 66 HZ3 LYS 13 2HZ LYS 13 -1.762 5.104 12.947 67 H VAL 14 H VAL 14 -2.570 2.090 7.812 68 HA VAL 14 HA VAL 14 -4.747 1.946 6.005 69 HB VAL 14 HB VAL 14 -2.163 0.421 6.212 70 HG11 VAL 14 1HG1 VAL 14 -3.320 -1.243 5.177 71 HG12 VAL 14 2HG1 VAL 14 -4.536 -0.144 4.523 72 HG13 VAL 14 3HG1 VAL 14 -2.947 -0.255 3.765 73 HG21 VAL 14 3HG2 VAL 14 -1.830 1.605 3.982 74 HG22 VAL 14 1HG2 VAL 14 -3.249 2.563 4.406 75 HG23 VAL 14 2HG2 VAL 14 -1.813 2.612 5.430 76 H THR 15 H THR 15 -6.512 0.740 6.118 77 HA THR 15 HA THR 15 -6.460 -1.683 7.794 78 HB THR 15 HB THR 15 -8.961 -1.399 7.908 79 HG1 THR 15 1HG THR 15 -9.469 0.989 7.503 80 HG21 THR 15 3HG2 THR 15 -7.835 -0.769 9.854 81 HG22 THR 15 1HG2 THR 15 -8.784 0.662 9.453 82 HG23 THR 15 2HG2 THR 15 -7.062 0.611 9.074 83 H SER 16 H SER 16 -7.556 -3.548 7.067 84 HA SER 16 HA SER 16 -8.255 -3.575 4.210 85 HB2 SER 16 1HB SER 16 -7.110 -5.712 3.925 86 HB3 SER 16 2HB SER 16 -5.975 -4.498 4.514 87 HG SER 16 HG SER 16 -6.786 -5.474 6.684 88 H LYS 17 H LYS 17 -10.075 -4.651 3.710 89 HA LYS 17 HA LYS 17 -11.292 -6.349 5.786 90 HB2 LYS 17 1HB LYS 17 -13.513 -5.481 5.021 91 HB3 LYS 17 2HB LYS 17 -12.505 -4.283 5.821 92 HG2 LYS 17 1HG LYS 17 -13.222 -3.052 4.054 93 HG3 LYS 17 2HG LYS 17 -11.773 -3.760 3.338 94 HD2 LYS 17 1HD LYS 17 -12.966 -5.183 1.995 95 HD3 LYS 17 2HD LYS 17 -14.338 -5.252 3.104 96 HE2 LYS 17 1HE LYS 17 -15.253 -3.301 2.306 97 HE3 LYS 17 2HE LYS 17 -13.700 -2.669 1.762 98 HZ1 LYS 17 3HZ LYS 17 -15.455 -4.636 0.440 99 HZ2 LYS 17 1HZ LYS 17 -13.804 -4.575 0.075 100 HZ3 LYS 17 2HZ LYS 17 -14.780 -3.220 -0.193 101 H GLY 18 H GLY 18 -13.092 -7.741 4.842 102 HA2 GLY 18 1HA GLY 18 -13.928 -8.672 2.682 103 HA3 GLY 18 2HA GLY 18 -12.245 -8.705 2.179 104 H ALA 19 H ALA 19 -12.799 -10.996 1.756 105 HA ALA 19 HA ALA 19 -12.751 -12.629 4.203 106 HB1 ALA 19 3HB ALA 19 -13.220 -14.013 1.664 107 HB2 ALA 19 1HB ALA 19 -14.080 -14.130 3.200 108 HB3 ALA 19 2HB ALA 19 -14.446 -12.816 2.081 109 H GLY 20 H GLY 20 -11.287 -12.337 0.977 110 HA2 GLY 20 1HA GLY 20 -9.477 -14.381 0.990 111 HA3 GLY 20 2HA GLY 20 -9.139 -12.806 0.287 112 H LEU 21 H LEU 21 -9.497 -11.663 3.103 113 HA LEU 21 HA LEU 21 -6.709 -11.856 3.813 114 HB2 LEU 21 1HB LEU 21 -8.939 -10.387 5.209 115 HB3 LEU 21 2HB LEU 21 -7.210 -10.161 5.469 116 HG LEU 21 HG LEU 21 -8.418 -9.652 2.775 117 HD11 LEU 21 1HD1 LEU 21 -8.290 -7.662 5.035 118 HD12 LEU 21 2HD1 LEU 21 -9.764 -8.398 4.407 119 HD13 LEU 21 3HD1 LEU 21 -8.799 -7.341 3.377 120 HD21 LEU 21 3HD2 LEU 21 -6.285 -7.964 3.880 121 HD22 LEU 21 1HD2 LEU 21 -6.437 -8.712 2.290 122 HD23 LEU 21 2HD2 LEU 21 -5.852 -9.660 3.657 123 H SER 22 H SER 22 -9.790 -12.954 5.095 124 HA SER 22 HA SER 22 -8.583 -14.004 7.509 125 HB2 SER 22 1HB SER 22 -10.967 -13.043 7.284 126 HB3 SER 22 2HB SER 22 -11.380 -14.597 6.560 127 HG SER 22 HG SER 22 -11.746 -14.898 8.680 128 H LYS 23 H LYS 23 -9.989 -15.269 4.517 129 HA LYS 23 HA LYS 23 -8.343 -17.619 4.669 130 HB2 LYS 23 1HB LYS 23 -10.337 -19.179 4.504 131 HB3 LYS 23 2HB LYS 23 -10.036 -18.476 6.088 132 HG2 LYS 23 1HG LYS 23 -12.310 -18.242 5.896 133 HG3 LYS 23 2HG LYS 23 -11.745 -16.674 5.315 134 HD2 LYS 23 1HD LYS 23 -11.758 -17.964 2.992 135 HD3 LYS 23 2HD LYS 23 -12.978 -18.930 3.824 136 HE2 LYS 23 1HE LYS 23 -13.030 -15.928 3.529 137 HE3 LYS 23 2HE LYS 23 -13.954 -17.062 2.546 138 HZ1 LYS 23 3HZ LYS 23 -15.485 -17.254 4.127 139 HZ2 LYS 23 1HZ LYS 23 -14.768 -15.925 4.889 140 HZ3 LYS 23 2HZ LYS 23 -14.336 -17.495 5.344 141 H ALA 24 H ALA 24 -9.343 -19.235 2.834 142 HA ALA 24 HA ALA 24 -10.480 -17.880 0.581 143 HB1 ALA 24 3HB ALA 24 -8.232 -16.993 0.406 144 HB2 ALA 24 1HB ALA 24 -7.559 -18.623 0.466 145 HB3 ALA 24 2HB ALA 24 -8.539 -18.123 -0.913 146 H PHE 25 H PHE 25 -11.234 -19.292 -0.959 147 HA PHE 25 HA PHE 25 -10.889 -22.144 -0.330 148 HB2 PHE 25 1HB PHE 25 -13.098 -20.898 -1.971 149 HB3 PHE 25 2HB PHE 25 -13.041 -22.532 -1.317 150 HD1 PHE 25 1HD PHE 25 -11.935 -21.657 1.427 151 HD2 PHE 25 2HD PHE 25 -15.181 -20.306 -0.971 152 HE1 PHE 25 1HE PHE 25 -13.105 -20.888 3.450 153 HE2 PHE 25 2HE PHE 25 -16.356 -19.534 1.048 154 HZ PHE 25 HZ PHE 25 -15.318 -19.824 3.262 155 H VAL 26 H VAL 26 -9.820 -23.396 -1.706 156 HA VAL 26 HA VAL 26 -8.365 -22.588 -3.854 157 HB VAL 26 HB VAL 26 -9.667 -25.287 -3.478 158 HG11 VAL 26 1HG1 VAL 26 -7.574 -25.934 -4.917 159 HG12 VAL 26 2HG1 VAL 26 -9.066 -25.401 -5.694 160 HG13 VAL 26 3HG1 VAL 26 -7.721 -24.276 -5.499 161 HG21 VAL 26 3HG2 VAL 26 -7.756 -24.040 -1.944 162 HG22 VAL 26 1HG2 VAL 26 -8.032 -25.780 -2.035 163 HG23 VAL 26 2HG2 VAL 26 -6.796 -25.029 -3.043 164 H GLY 27 H GLY 27 -8.653 -22.223 -5.997 165 HA2 GLY 27 1HA GLY 27 -9.726 -22.159 -8.057 166 HA3 GLY 27 2HA GLY 27 -11.080 -23.026 -7.347 167 H GLN 28 H GLN 28 -11.925 -21.436 -5.348 168 HA GLN 28 HA GLN 28 -13.402 -19.458 -6.681 169 HB2 GLN 28 1HB GLN 28 -12.861 -19.820 -3.730 170 HB3 GLN 28 2HB GLN 28 -14.059 -18.716 -4.392 171 HG2 GLN 28 1HG GLN 28 -15.219 -20.627 -5.419 172 HG3 GLN 28 2HG GLN 28 -14.044 -21.712 -4.676 173 HE21 GLN 28 1HE2 GLN 28 -15.964 -18.927 -3.591 174 HE22 GLN 28 2HE2 GLN 28 -16.609 -19.702 -2.188 175 H LYS 29 H LYS 29 -13.150 -17.297 -6.941 176 HA LYS 29 HA LYS 29 -10.496 -16.223 -6.506 177 HB2 LYS 29 1HB LYS 29 -12.139 -15.907 -8.559 178 HB3 LYS 29 2HB LYS 29 -12.737 -14.570 -7.585 179 HG2 LYS 29 1HG LYS 29 -10.239 -13.897 -7.428 180 HG3 LYS 29 2HG LYS 29 -10.051 -14.946 -8.835 181 HD2 LYS 29 1HD LYS 29 -12.242 -12.933 -8.861 182 HD3 LYS 29 2HD LYS 29 -10.585 -12.367 -9.087 183 HE2 LYS 29 1HE LYS 29 -11.532 -14.706 -10.670 184 HE3 LYS 29 2HE LYS 29 -12.079 -13.095 -11.133 185 HZ1 LYS 29 3HZ LYS 29 -9.258 -13.995 -10.902 186 HZ2 LYS 29 1HZ LYS 29 -9.740 -12.411 -11.253 187 HZ3 LYS 29 2HZ LYS 29 -10.093 -13.662 -12.335 188 H SER 30 H SER 30 -9.988 -15.366 -4.607 189 HA SER 30 HA SER 30 -12.072 -14.149 -2.959 190 HB2 SER 30 1HB SER 30 -9.372 -15.293 -2.443 191 HB3 SER 30 2HB SER 30 -9.927 -14.007 -1.371 192 HG SER 30 HG SER 30 -11.338 -16.403 -1.948 193 H SER 31 H SER 31 -12.154 -12.023 -2.453 194 HA SER 31 HA SER 31 -10.030 -10.288 -3.529 195 HB2 SER 31 1HB SER 31 -11.555 -8.829 -4.482 196 HB3 SER 31 2HB SER 31 -12.374 -10.370 -4.733 197 HG SER 31 HG SER 31 -13.286 -9.769 -2.494 198 H PHE 32 H PHE 32 -9.893 -8.163 -2.483 199 HA PHE 32 HA PHE 32 -11.173 -7.756 0.050 200 HB2 PHE 32 1HB PHE 32 -9.136 -7.825 1.421 201 HB3 PHE 32 2HB PHE 32 -9.481 -9.401 0.715 202 HD1 PHE 32 1HD PHE 32 -7.228 -6.525 0.706 203 HD2 PHE 32 2HD PHE 32 -8.050 -10.343 -0.987 204 HE1 PHE 32 1HE PHE 32 -4.957 -6.591 -0.238 205 HE2 PHE 32 2HE PHE 32 -5.779 -10.416 -1.933 206 HZ PHE 32 HZ PHE 32 -4.229 -8.539 -1.558 207 H LEU 33 H LEU 33 -11.185 -5.641 0.584 208 HA LEU 33 HA LEU 33 -9.676 -3.828 -1.159 209 HB2 LEU 33 1HB LEU 33 -12.210 -3.721 -0.923 210 HB3 LEU 33 2HB LEU 33 -11.921 -3.079 0.692 211 HG LEU 33 HG LEU 33 -10.510 -1.286 -0.543 212 HD11 LEU 33 1HD1 LEU 33 -11.061 -2.780 -2.727 213 HD12 LEU 33 2HD1 LEU 33 -10.676 -1.060 -2.772 214 HD13 LEU 33 3HD1 LEU 33 -12.358 -1.588 -2.807 215 HD21 LEU 33 3HD2 LEU 33 -13.011 -0.361 -1.260 216 HD22 LEU 33 1HD2 LEU 33 -12.246 -0.187 0.320 217 HD23 LEU 33 2HD2 LEU 33 -13.349 -1.530 0.018 218 H VAL 34 H VAL 34 -8.527 -2.058 -0.314 219 HA VAL 34 HA VAL 34 -7.899 -2.234 2.560 220 HB VAL 34 HB VAL 34 -5.963 -1.677 0.309 221 HG11 VAL 34 1HG1 VAL 34 -5.868 -1.089 3.166 222 HG12 VAL 34 2HG1 VAL 34 -4.486 -2.025 2.592 223 HG13 VAL 34 3HG1 VAL 34 -4.872 -0.473 1.847 224 HG21 VAL 34 3HG2 VAL 34 -5.452 -3.856 2.213 225 HG22 VAL 34 1HG2 VAL 34 -6.840 -4.099 1.152 226 HG23 VAL 34 2HG2 VAL 34 -5.244 -3.804 0.462 227 H ASP 35 H ASP 35 -8.632 -0.466 3.527 228 HA ASP 35 HA ASP 35 -9.024 1.999 2.082 229 HB2 ASP 35 1HB ASP 35 -10.539 1.056 3.926 230 HB3 ASP 35 2HB ASP 35 -9.319 1.632 5.059 231 H CYS 36 H CYS 36 -7.650 3.647 1.954 232 HA CYS 36 HA CYS 36 -5.522 3.881 3.966 233 HB2 CYS 36 1HB CYS 36 -5.168 4.120 0.971 234 HB3 CYS 36 2HB CYS 36 -3.932 4.499 2.164 235 HG CYS 36 HG CYS 36 -4.575 1.642 0.753 236 H SER 37 H SER 37 -8.033 5.289 3.714 237 HA SER 37 HA SER 37 -7.781 7.796 2.494 238 HB2 SER 37 1HB SER 37 -9.388 6.976 4.925 239 HB3 SER 37 2HB SER 37 -9.579 8.509 4.074 240 HG SER 37 HG SER 37 -10.256 7.396 2.264 241 H LYS 38 H LYS 38 -7.260 6.900 5.905 242 HA LYS 38 HA LYS 38 -5.803 9.417 6.293 243 HB2 LYS 38 1HB LYS 38 -6.790 7.429 8.347 244 HB3 LYS 38 2HB LYS 38 -6.044 8.984 8.691 245 HG2 LYS 38 1HG LYS 38 -8.224 9.568 8.909 246 HG3 LYS 38 2HG LYS 38 -8.032 9.859 7.178 247 HD2 LYS 38 1HD LYS 38 -10.016 8.628 7.342 248 HD3 LYS 38 2HD LYS 38 -8.802 7.434 6.877 249 HE2 LYS 38 1HE LYS 38 -8.576 6.788 9.246 250 HE3 LYS 38 2HE LYS 38 -9.845 7.938 9.663 251 HZ1 LYS 38 3HZ LYS 38 -11.402 6.696 8.344 252 HZ2 LYS 38 1HZ LYS 38 -10.659 5.646 9.442 253 HZ3 LYS 38 2HZ LYS 38 -10.193 5.638 7.817 254 H ALA 39 H ALA 39 -4.742 7.019 4.899 255 HA ALA 39 HA ALA 39 -2.641 6.128 6.728 256 HB1 ALA 39 3HB ALA 39 -3.412 5.195 3.968 257 HB2 ALA 39 1HB ALA 39 -2.059 4.549 4.897 258 HB3 ALA 39 2HB ALA 39 -3.708 4.368 5.497 259 H GLY 40 H GLY 40 -2.768 7.199 3.318 260 HA2 GLY 40 1HA GLY 40 -1.105 9.356 3.410 261 HA3 GLY 40 2HA GLY 40 -0.002 7.988 3.378 262 H SER 41 H SER 41 0.119 9.789 1.360 263 HA SER 41 HA SER 41 -1.476 8.828 -0.869 264 HB2 SER 41 1HB SER 41 0.713 10.919 -0.821 265 HB3 SER 41 2HB SER 41 -0.401 10.609 -2.152 266 HG SER 41 HG SER 41 -1.270 12.284 -1.032 267 H ASN 42 H ASN 42 0.299 6.934 0.326 268 HA ASN 42 HA ASN 42 2.550 6.675 -1.491 269 HB2 ASN 42 1HB ASN 42 2.396 6.044 1.076 270 HB3 ASN 42 2HB ASN 42 1.790 4.520 0.433 271 HD21 ASN 42 1HD2 ASN 42 4.521 6.458 1.013 272 HD22 ASN 42 2HD2 ASN 42 5.705 5.411 0.314 273 H MET 43 H MET 43 2.854 4.141 -2.092 274 HA MET 43 HA MET 43 0.475 3.492 -3.693 275 HB2 MET 43 1HB MET 43 2.009 2.246 -5.157 276 HB3 MET 43 2HB MET 43 2.476 3.935 -5.009 277 HG2 MET 43 1HG MET 43 4.304 3.425 -3.634 278 HG3 MET 43 2HG MET 43 3.712 1.797 -3.312 279 HE1 MET 43 3HE MET 43 4.045 -0.255 -4.894 280 HE2 MET 43 1HE MET 43 2.908 0.570 -5.961 281 HE3 MET 43 2HE MET 43 4.408 -0.091 -6.613 282 H LEU 44 H LEU 44 -0.460 1.497 -3.605 283 HA LEU 44 HA LEU 44 0.386 -0.217 -1.390 284 HB2 LEU 44 1HB LEU 44 -1.998 0.667 -1.704 285 HB3 LEU 44 2HB LEU 44 -2.128 -0.519 -3.001 286 HG LEU 44 HG LEU 44 -1.408 -2.210 -1.147 287 HD11 LEU 44 1HD1 LEU 44 -2.141 0.235 0.385 288 HD12 LEU 44 2HD1 LEU 44 -0.904 -0.977 0.715 289 HD13 LEU 44 3HD1 LEU 44 -2.601 -1.343 1.023 290 HD21 LEU 44 3HD2 LEU 44 -3.845 -2.370 -0.454 291 HD22 LEU 44 1HD2 LEU 44 -3.510 -2.436 -2.184 292 HD23 LEU 44 2HD2 LEU 44 -4.119 -0.947 -1.460 293 H LEU 45 H LEU 45 1.494 -2.010 -1.767 294 HA LEU 45 HA LEU 45 1.176 -3.346 -4.371 295 HB2 LEU 45 1HB LEU 45 3.460 -3.710 -4.580 296 HB3 LEU 45 2HB LEU 45 3.349 -2.048 -4.005 297 HG LEU 45 HG LEU 45 5.157 -3.060 -2.857 298 HD11 LEU 45 1HD1 LEU 45 2.905 -3.255 -0.883 299 HD12 LEU 45 2HD1 LEU 45 3.444 -1.709 -1.537 300 HD13 LEU 45 3HD1 LEU 45 4.563 -2.716 -0.618 301 HD21 LEU 45 3HD2 LEU 45 3.955 -5.428 -3.300 302 HD22 LEU 45 1HD2 LEU 45 3.594 -5.212 -1.587 303 HD23 LEU 45 2HD2 LEU 45 5.267 -5.197 -2.143 304 H ILE 46 H ILE 46 1.890 -5.657 -4.316 305 HA ILE 46 HA ILE 46 1.397 -6.874 -1.679 306 HB ILE 46 HB ILE 46 0.357 -7.917 -4.316 307 HG12 ILE 46 1HG1 ILE 46 -0.765 -5.840 -3.348 308 HG13 ILE 46 2HG1 ILE 46 -1.809 -7.224 -3.654 309 HG21 ILE 46 1HG2 ILE 46 0.585 -9.837 -3.114 310 HG22 ILE 46 2HG2 ILE 46 0.461 -9.011 -1.562 311 HG23 ILE 46 3HG2 ILE 46 -0.990 -9.319 -2.514 312 HD11 ILE 46 3HD1 ILE 46 -0.796 -7.385 -0.993 313 HD12 ILE 46 1HD1 ILE 46 -1.485 -5.785 -1.265 314 HD13 ILE 46 2HD1 ILE 46 -2.463 -7.226 -1.546 315 H GLY 47 H GLY 47 2.395 -8.899 -1.297 316 HA2 GLY 47 1HA GLY 47 4.470 -9.661 -3.248 317 HA3 GLY 47 2HA GLY 47 4.884 -9.423 -1.557 318 H VAL 48 H VAL 48 2.205 -11.083 -3.222 319 HA VAL 48 HA VAL 48 1.731 -13.084 -1.443 320 HB VAL 48 HB VAL 48 1.099 -14.526 -3.427 321 HG11 VAL 48 1HG1 VAL 48 -0.891 -13.524 -3.339 322 HG12 VAL 48 2HG1 VAL 48 -0.125 -12.310 -2.313 323 HG13 VAL 48 3HG1 VAL 48 -0.261 -12.040 -4.051 324 HG21 VAL 48 3HG2 VAL 48 1.600 -13.958 -5.543 325 HG22 VAL 48 1HG2 VAL 48 1.325 -12.240 -5.250 326 HG23 VAL 48 2HG2 VAL 48 2.864 -12.976 -4.802 327 H HIS 49 H HIS 49 2.775 -14.806 -0.674 328 HA HIS 49 HA HIS 49 5.483 -15.288 -1.250 329 HB2 HIS 49 1HB HIS 49 5.287 -17.214 0.211 330 HB3 HIS 49 2HB HIS 49 4.379 -15.869 0.897 331 HD1 HIS 49 1HD HIS 49 1.698 -15.995 0.427 332 HD2 HIS 49 2HD HIS 49 3.861 -19.511 -0.039 333 HE1 HIS 49 1HE HIS 49 -0.004 -17.845 0.501 334 H GLY 50 H GLY 50 6.464 -17.220 -2.134 335 HA2 GLY 50 1HA GLY 50 4.824 -18.895 -3.853 336 HA3 GLY 50 2HA GLY 50 5.949 -17.833 -4.686 337 HA PRO 51 HA PRO 51 8.808 -20.731 -2.125 338 HB2 PRO 51 1HB PRO 51 7.635 -22.584 -0.525 339 HB3 PRO 51 2HB PRO 51 8.029 -20.951 0.025 340 HG2 PRO 51 1HG PRO 51 5.405 -22.057 -0.900 341 HG3 PRO 51 2HG PRO 51 5.748 -20.991 0.476 342 HD2 PRO 51 1HD PRO 51 4.771 -20.067 -1.875 343 HD3 PRO 51 2HD PRO 51 5.857 -19.108 -0.848 344 H THR 52 H THR 52 5.739 -22.366 -2.896 345 HA THR 52 HA THR 52 7.240 -24.173 -4.666 346 HB THR 52 HB THR 52 5.666 -26.009 -4.034 347 HG1 THR 52 1HG THR 52 4.748 -25.537 -1.789 348 HG21 THR 52 3HG2 THR 52 6.977 -26.735 -2.280 349 HG22 THR 52 1HG2 THR 52 7.044 -25.141 -1.530 350 HG23 THR 52 2HG2 THR 52 8.004 -25.479 -2.970 351 H THR 53 H THR 53 3.840 -23.571 -3.765 352 HA THR 53 HA THR 53 3.252 -23.207 -6.632 353 HB THR 53 HB THR 53 1.293 -24.265 -4.594 354 HG1 THR 53 1HG THR 53 2.913 -25.809 -4.793 355 HG21 THR 53 3HG2 THR 53 0.656 -25.172 -7.141 356 HG22 THR 53 1HG2 THR 53 1.158 -23.500 -7.388 357 HG23 THR 53 2HG2 THR 53 -0.145 -23.872 -6.259 358 HA PRO 54 HA PRO 54 2.186 -19.209 -4.689 359 HB2 PRO 54 1HB PRO 54 2.637 -17.763 -6.942 360 HB3 PRO 54 2HB PRO 54 3.927 -18.234 -5.829 361 HG2 PRO 54 1HG PRO 54 3.106 -19.491 -8.419 362 HG3 PRO 54 2HG PRO 54 4.736 -19.160 -7.803 363 HD2 PRO 54 1HD PRO 54 3.606 -21.618 -7.685 364 HD3 PRO 54 2HD PRO 54 4.742 -21.030 -6.455 365 H CYS 55 H CYS 55 0.833 -17.345 -5.944 366 HA CYS 55 HA CYS 55 -1.712 -18.577 -6.478 367 HB2 CYS 55 1HB CYS 55 -2.630 -16.399 -6.357 368 HB3 CYS 55 2HB CYS 55 -1.336 -16.425 -5.165 369 HG CYS 55 HG CYS 55 -1.798 -14.317 -7.584 370 H GLU 56 H GLU 56 -2.996 -18.220 -8.365 371 HA GLU 56 HA GLU 56 -1.614 -18.649 -10.778 372 HB2 GLU 56 1HB GLU 56 -4.485 -17.873 -10.252 373 HB3 GLU 56 2HB GLU 56 -3.867 -18.306 -11.840 374 HG2 GLU 56 1HG GLU 56 -4.090 -20.051 -9.407 375 HG3 GLU 56 2HG GLU 56 -4.916 -20.228 -10.955 376 H GLU 57 H GLU 57 -3.132 -15.768 -9.404 377 HA GLU 57 HA GLU 57 -1.417 -14.027 -10.861 378 HB2 GLU 57 1HB GLU 57 -2.959 -12.974 -12.330 379 HB3 GLU 57 2HB GLU 57 -3.108 -14.703 -12.610 380 HG2 GLU 57 1HG GLU 57 -4.949 -13.177 -10.794 381 HG3 GLU 57 2HG GLU 57 -5.258 -13.403 -12.515 382 H VAL 58 H VAL 58 -2.330 -11.656 -10.635 383 HA VAL 58 HA VAL 58 -3.835 -11.319 -8.156 384 HB VAL 58 HB VAL 58 -1.143 -10.005 -8.526 385 HG11 VAL 58 1HG1 VAL 58 -1.756 -8.675 -6.859 386 HG12 VAL 58 2HG1 VAL 58 -3.353 -9.425 -6.858 387 HG13 VAL 58 3HG1 VAL 58 -2.072 -10.076 -5.835 388 HG21 VAL 58 3HG2 VAL 58 -0.469 -11.502 -6.606 389 HG22 VAL 58 1HG2 VAL 58 -1.934 -12.431 -6.930 390 HG23 VAL 58 2HG2 VAL 58 -0.680 -12.302 -8.164 391 H SER 59 H SER 59 -5.462 -10.110 -8.918 392 HA SER 59 HA SER 59 -4.919 -7.973 -10.829 393 HB2 SER 59 1HB SER 59 -6.837 -9.561 -11.165 394 HB3 SER 59 2HB SER 59 -7.592 -8.869 -9.731 395 HG SER 59 HG SER 59 -6.747 -7.136 -11.756 396 H MET 60 H MET 60 -4.190 -6.160 -9.903 397 HA MET 60 HA MET 60 -5.572 -5.186 -7.490 398 HB2 MET 60 1HB MET 60 -2.791 -4.470 -8.430 399 HB3 MET 60 2HB MET 60 -3.549 -3.974 -6.922 400 HG2 MET 60 1HG MET 60 -3.300 -6.036 -5.955 401 HG3 MET 60 2HG MET 60 -3.257 -6.877 -7.502 402 HE1 MET 60 3HE MET 60 -1.706 -3.906 -5.966 403 HE2 MET 60 1HE MET 60 -0.481 -4.736 -5.004 404 HE3 MET 60 2HE MET 60 -0.027 -3.936 -6.509 405 H LYS 61 H LYS 61 -6.773 -3.422 -7.710 406 HA LYS 61 HA LYS 61 -6.054 -1.408 -9.700 407 HB2 LYS 61 1HB LYS 61 -8.522 -3.071 -9.721 408 HB3 LYS 61 2HB LYS 61 -8.692 -1.366 -10.120 409 HG2 LYS 61 1HG LYS 61 -6.558 -2.915 -11.485 410 HG3 LYS 61 2HG LYS 61 -8.234 -3.189 -11.967 411 HD2 LYS 61 1HD LYS 61 -8.350 -0.596 -12.085 412 HD3 LYS 61 2HD LYS 61 -6.589 -0.694 -12.155 413 HE2 LYS 61 1HE LYS 61 -7.439 -0.624 -14.396 414 HE3 LYS 61 2HE LYS 61 -6.812 -2.242 -14.087 415 HZ1 LYS 61 3HZ LYS 61 -8.785 -3.088 -14.567 416 HZ2 LYS 61 1HZ LYS 61 -9.355 -1.544 -14.958 417 HZ3 LYS 61 2HZ LYS 61 -9.538 -2.140 -13.386 418 H HIS 62 H HIS 62 -6.548 0.652 -9.102 419 HA HIS 62 HA HIS 62 -7.493 1.012 -6.374 420 HB2 HIS 62 1HB HIS 62 -5.471 2.198 -7.030 421 HB3 HIS 62 2HB HIS 62 -6.326 2.974 -8.360 422 HD1 HIS 62 1HD HIS 62 -6.932 5.302 -7.840 423 HD2 HIS 62 2HD HIS 62 -6.913 2.927 -4.430 424 HE1 HIS 62 1HE HIS 62 -7.528 6.843 -5.944 425 H VAL 63 H VAL 63 -9.710 0.458 -6.790 426 HA VAL 63 HA VAL 63 -11.437 1.519 -8.621 427 HB VAL 63 HB VAL 63 -13.158 1.447 -6.654 428 HG11 VAL 63 1HG1 VAL 63 -11.891 -0.585 -8.273 429 HG12 VAL 63 2HG1 VAL 63 -12.507 -1.252 -6.760 430 HG13 VAL 63 3HG1 VAL 63 -13.590 -0.382 -7.847 431 HG21 VAL 63 3HG2 VAL 63 -12.525 0.414 -4.677 432 HG22 VAL 63 1HG2 VAL 63 -11.053 -0.256 -5.381 433 HG23 VAL 63 2HG2 VAL 63 -11.149 1.466 -5.013 434 H GLY 64 H GLY 64 -9.841 3.177 -6.066 435 HA2 GLY 64 1HA GLY 64 -9.680 5.580 -6.171 436 HA3 GLY 64 2HA GLY 64 -11.329 5.619 -6.776 437 H ASN 65 H ASN 65 -11.412 7.294 -5.010 438 HA ASN 65 HA ASN 65 -12.049 7.985 -2.933 439 HB2 ASN 65 1HB ASN 65 -13.517 5.431 -3.396 440 HB3 ASN 65 2HB ASN 65 -13.590 6.141 -1.786 441 HD21 ASN 65 1HD2 ASN 65 -15.194 5.947 -4.575 442 HD22 ASN 65 2HD2 ASN 65 -16.023 7.463 -4.572 443 H GLN 66 H GLN 66 -9.507 6.565 -3.135 444 HA GLN 66 HA GLN 66 -7.838 5.906 -1.734 445 HB2 GLN 66 1HB GLN 66 -9.774 6.255 0.552 446 HB3 GLN 66 2HB GLN 66 -8.017 6.323 0.607 447 HG2 GLN 66 1HG GLN 66 -9.730 8.297 -0.880 448 HG3 GLN 66 2HG GLN 66 -9.150 8.530 0.769 449 HE21 GLN 66 1HE2 GLN 66 -7.363 9.659 0.957 450 HE22 GLN 66 2HE2 GLN 66 -6.135 9.838 -0.245 451 H GLN 67 H GLN 67 -9.728 4.020 -2.883 452 HA GLN 67 HA GLN 67 -9.434 1.833 -0.932 453 HB2 GLN 67 1HB GLN 67 -11.637 2.190 -2.971 454 HB3 GLN 67 2HB GLN 67 -11.446 0.798 -1.913 455 HG2 GLN 67 1HG GLN 67 -11.900 2.101 0.020 456 HG3 GLN 67 2HG GLN 67 -11.823 3.602 -0.901 457 HE21 GLN 67 1HE2 GLN 67 -13.958 3.754 0.282 458 HE22 GLN 67 2HE2 GLN 67 -15.349 3.170 -0.560 459 H TYR 68 H TYR 68 -8.347 0.083 -1.595 460 HA TYR 68 HA TYR 68 -7.634 -0.076 -4.450 461 HB2 TYR 68 1HB TYR 68 -6.070 -0.927 -2.008 462 HB3 TYR 68 2HB TYR 68 -5.597 -1.312 -3.659 463 HD1 TYR 68 1HD TYR 68 -5.949 1.373 -1.179 464 HD2 TYR 68 2HD TYR 68 -4.669 0.377 -5.112 465 HE1 TYR 68 1HE TYR 68 -4.771 3.527 -1.334 466 HE2 TYR 68 2HE TYR 68 -3.487 2.527 -5.278 467 HH TYR 68 HH TYR 68 -2.503 4.213 -3.721 468 H ASN 69 H ASN 69 -8.663 -1.655 -5.465 469 HA ASN 69 HA ASN 69 -9.701 -3.931 -3.988 470 HB2 ASN 69 1HB ASN 69 -10.849 -2.557 -5.931 471 HB3 ASN 69 2HB ASN 69 -9.958 -3.678 -6.956 472 HD21 ASN 69 1HD2 ASN 69 -10.073 -5.962 -5.404 473 HD22 ASN 69 2HD2 ASN 69 -11.712 -6.504 -5.320 474 H VAL 70 H VAL 70 -8.657 -5.793 -3.804 475 HA VAL 70 HA VAL 70 -6.746 -6.569 -5.902 476 HB VAL 70 HB VAL 70 -6.270 -6.942 -2.943 477 HG11 VAL 70 1HG1 VAL 70 -5.250 -8.709 -4.176 478 HG12 VAL 70 2HG1 VAL 70 -4.616 -7.583 -5.378 479 HG13 VAL 70 3HG1 VAL 70 -3.978 -7.572 -3.733 480 HG21 VAL 70 3HG2 VAL 70 -4.350 -5.327 -3.422 481 HG22 VAL 70 1HG2 VAL 70 -5.228 -4.910 -4.894 482 HG23 VAL 70 2HG2 VAL 70 -5.972 -4.643 -3.317 483 H THR 71 H THR 71 -6.928 -8.616 -6.589 484 HA THR 71 HA THR 71 -8.351 -10.563 -4.920 485 HB THR 71 HB THR 71 -8.952 -10.523 -7.848 486 HG1 THR 71 1HG THR 71 -10.908 -9.245 -7.039 487 HG21 THR 71 3HG2 THR 71 -9.628 -12.373 -6.250 488 HG22 THR 71 1HG2 THR 71 -10.929 -11.660 -7.202 489 HG23 THR 71 2HG2 THR 71 -10.724 -11.207 -5.510 490 H TYR 72 H TYR 72 -7.890 -12.757 -5.403 491 HA TYR 72 HA TYR 72 -5.847 -13.333 -7.389 492 HB2 TYR 72 1HB TYR 72 -4.377 -14.446 -5.732 493 HB3 TYR 72 2HB TYR 72 -4.496 -12.709 -5.471 494 HD1 TYR 72 1HD TYR 72 -5.683 -15.996 -4.243 495 HD2 TYR 72 2HD TYR 72 -5.299 -11.838 -3.425 496 HE1 TYR 72 1HE TYR 72 -6.347 -16.400 -1.909 497 HE2 TYR 72 2HE TYR 72 -5.961 -12.231 -1.089 498 HH TYR 72 HH TYR 72 -7.504 -14.383 0.049 499 H VAL 73 H VAL 73 -5.258 -15.788 -7.184 500 HA VAL 73 HA VAL 73 -7.599 -17.357 -6.376 501 HB VAL 73 HB VAL 73 -6.330 -17.490 -9.115 502 HG11 VAL 73 1HG1 VAL 73 -7.752 -19.320 -9.611 503 HG12 VAL 73 2HG1 VAL 73 -6.961 -19.703 -8.080 504 HG13 VAL 73 3HG1 VAL 73 -8.632 -19.137 -8.094 505 HG21 VAL 73 3HG2 VAL 73 -7.810 -15.713 -9.227 506 HG22 VAL 73 1HG2 VAL 73 -8.822 -17.070 -9.722 507 HG23 VAL 73 2HG2 VAL 73 -8.933 -16.441 -8.078 508 H VAL 74 H VAL 74 -6.797 -18.752 -4.950 509 HA VAL 74 HA VAL 74 -4.080 -19.752 -5.216 510 HB VAL 74 HB VAL 74 -4.485 -20.833 -3.033 511 HG11 VAL 74 1HG1 VAL 74 -5.271 -17.921 -3.075 512 HG12 VAL 74 2HG1 VAL 74 -4.572 -18.801 -1.714 513 HG13 VAL 74 3HG1 VAL 74 -3.620 -18.531 -3.174 514 HG21 VAL 74 3HG2 VAL 74 -6.876 -19.511 -2.253 515 HG22 VAL 74 1HG2 VAL 74 -7.202 -20.412 -3.734 516 HG23 VAL 74 2HG2 VAL 74 -6.549 -21.243 -2.322 517 H LYS 75 H LYS 75 -3.581 -21.628 -6.128 518 HA LYS 75 HA LYS 75 -5.736 -23.493 -6.795 519 HB2 LYS 75 1HB LYS 75 -2.979 -23.006 -7.863 520 HB3 LYS 75 2HB LYS 75 -3.752 -24.563 -8.133 521 HG2 LYS 75 1HG LYS 75 -4.973 -21.922 -8.901 522 HG3 LYS 75 2HG LYS 75 -4.028 -22.937 -9.993 523 HD2 LYS 75 1HD LYS 75 -5.638 -24.768 -9.649 524 HD3 LYS 75 2HD LYS 75 -6.592 -23.715 -8.601 525 HE2 LYS 75 1HE LYS 75 -7.154 -22.282 -10.390 526 HE3 LYS 75 2HE LYS 75 -5.923 -22.983 -11.439 527 HZ1 LYS 75 3HZ LYS 75 -7.896 -23.916 -12.183 528 HZ2 LYS 75 1HZ LYS 75 -8.517 -24.130 -10.623 529 HZ3 LYS 75 2HZ LYS 75 -7.267 -25.124 -11.179 530 H GLU 76 H GLU 76 -4.048 -23.101 -4.177 531 HA GLU 76 HA GLU 76 -3.758 -25.980 -3.702 532 HB2 GLU 76 1HB GLU 76 -1.533 -24.671 -4.169 533 HB3 GLU 76 2HB GLU 76 -1.748 -24.101 -2.520 534 HG2 GLU 76 1HG GLU 76 -1.982 -26.580 -1.906 535 HG3 GLU 76 2HG GLU 76 -1.284 -26.891 -3.495 536 H ARG 77 H ARG 77 -4.073 -26.633 -1.547 537 HA ARG 77 HA ARG 77 -5.455 -24.627 0.101 538 HB2 ARG 77 1HB ARG 77 -6.613 -26.515 1.155 539 HB3 ARG 77 2HB ARG 77 -6.857 -26.505 -0.587 540 HG2 ARG 77 1HG ARG 77 -4.767 -28.127 -0.520 541 HG3 ARG 77 2HG ARG 77 -5.369 -28.422 1.113 542 HD2 ARG 77 1HD ARG 77 -7.576 -28.963 0.187 543 HD3 ARG 77 2HD ARG 77 -6.954 -28.689 -1.440 544 HE ARG 77 HE ARG 77 -5.388 -30.617 -0.076 545 HH11 ARG 77 1HH1 ARG 77 -8.452 -30.187 -1.672 546 HH12 ARG 77 2HH1 ARG 77 -8.598 -31.852 -2.125 547 HH21 ARG 77 1HH2 ARG 77 -5.568 -32.813 -0.668 548 HH22 ARG 77 2HH2 ARG 77 -6.958 -33.346 -1.553 549 H GLY 78 H GLY 78 -5.255 -24.874 2.463 550 HA2 GLY 78 1HA GLY 78 -3.915 -26.067 4.228 551 HA3 GLY 78 2HA GLY 78 -2.535 -25.778 3.179 552 H ASP 79 H ASP 79 -1.320 -24.462 4.431 553 HA ASP 79 HA ASP 79 -2.570 -22.130 5.674 554 HB2 ASP 79 1HB ASP 79 -0.539 -21.884 6.934 555 HB3 ASP 79 2HB ASP 79 -0.997 -23.584 6.979 556 H TYR 80 H TYR 80 -2.442 -20.158 4.829 557 HA TYR 80 HA TYR 80 -0.457 -19.683 2.702 558 HB2 TYR 80 1HB TYR 80 -3.353 -19.007 2.890 559 HB3 TYR 80 2HB TYR 80 -2.296 -17.859 2.076 560 HD1 TYR 80 1HD TYR 80 -3.041 -21.522 2.110 561 HD2 TYR 80 2HD TYR 80 -1.951 -18.115 -0.193 562 HE1 TYR 80 1HE TYR 80 -3.159 -22.877 0.061 563 HE2 TYR 80 2HE TYR 80 -2.067 -19.460 -2.249 564 HH TYR 80 HH TYR 80 -2.317 -21.505 -3.099 565 H VAL 81 H VAL 81 0.546 -17.662 2.615 566 HA VAL 81 HA VAL 81 0.234 -16.007 5.035 567 HB VAL 81 HB VAL 81 2.767 -16.636 3.517 568 HG11 VAL 81 1HG1 VAL 81 2.132 -14.271 4.848 569 HG12 VAL 81 2HG1 VAL 81 3.132 -15.182 5.981 570 HG13 VAL 81 3HG1 VAL 81 3.736 -14.822 4.363 571 HG21 VAL 81 3HG2 VAL 81 1.531 -17.639 5.987 572 HG22 VAL 81 1HG2 VAL 81 2.711 -18.396 4.917 573 HG23 VAL 81 2HG2 VAL 81 3.239 -17.223 6.124 574 H LEU 82 H LEU 82 -0.878 -14.266 4.377 575 HA LEU 82 HA LEU 82 -0.385 -13.091 1.767 576 HB2 LEU 82 1HB LEU 82 -2.672 -13.261 2.471 577 HB3 LEU 82 2HB LEU 82 -2.318 -12.414 3.975 578 HG LEU 82 HG LEU 82 -1.841 -10.368 2.655 579 HD11 LEU 82 1HD1 LEU 82 -3.082 -10.716 0.266 580 HD12 LEU 82 2HD1 LEU 82 -2.244 -12.257 0.449 581 HD13 LEU 82 3HD1 LEU 82 -1.335 -10.747 0.505 582 HD21 LEU 82 3HD2 LEU 82 -3.996 -9.746 2.785 583 HD22 LEU 82 1HD2 LEU 82 -4.228 -11.352 3.476 584 HD23 LEU 82 2HD2 LEU 82 -4.551 -11.074 1.765 585 H ALA 83 H ALA 83 1.253 -11.730 1.524 586 HA ALA 83 HA ALA 83 2.075 -10.060 3.798 587 HB1 ALA 83 3HB ALA 83 3.671 -10.377 1.285 588 HB2 ALA 83 1HB ALA 83 4.219 -9.981 2.915 589 HB3 ALA 83 2HB ALA 83 3.696 -11.622 2.534 590 H VAL 84 H VAL 84 1.047 -8.159 3.778 591 HA VAL 84 HA VAL 84 0.813 -6.732 1.209 592 HB VAL 84 HB VAL 84 -0.895 -6.303 3.661 593 HG11 VAL 84 1HG1 VAL 84 -1.826 -4.580 2.591 594 HG12 VAL 84 2HG1 VAL 84 -0.439 -4.650 1.501 595 HG13 VAL 84 3HG1 VAL 84 -1.939 -5.477 1.077 596 HG21 VAL 84 3HG2 VAL 84 -0.995 -8.527 2.109 597 HG22 VAL 84 1HG2 VAL 84 -2.379 -7.841 2.961 598 HG23 VAL 84 2HG2 VAL 84 -2.119 -7.467 1.257 599 H LYS 85 H LYS 85 2.319 -5.213 1.041 600 HA LYS 85 HA LYS 85 3.204 -3.802 3.462 601 HB2 LYS 85 1HB LYS 85 4.482 -4.295 0.786 602 HB3 LYS 85 2HB LYS 85 5.055 -3.004 1.834 603 HG2 LYS 85 1HG LYS 85 5.345 -4.746 3.630 604 HG3 LYS 85 2HG LYS 85 5.044 -5.958 2.382 605 HD2 LYS 85 1HD LYS 85 7.376 -5.784 2.468 606 HD3 LYS 85 2HD LYS 85 6.919 -4.803 1.073 607 HE2 LYS 85 1HE LYS 85 7.333 -2.806 2.186 608 HE3 LYS 85 2HE LYS 85 7.206 -3.553 3.778 609 HZ1 LYS 85 3HZ LYS 85 9.296 -4.842 2.577 610 HZ2 LYS 85 1HZ LYS 85 9.411 -3.630 3.752 611 HZ3 LYS 85 2HZ LYS 85 9.498 -3.229 2.111 612 H TRP 86 H TRP 86 3.462 -1.510 3.418 613 HA TRP 86 HA TRP 86 1.963 -0.123 1.305 614 HB2 TRP 86 1HB TRP 86 0.367 -0.253 3.054 615 HB3 TRP 86 2HB TRP 86 1.572 0.119 4.284 616 HD1 TRP 86 HD TRP 86 1.578 2.546 5.093 617 HE1 TRP 86 1HE TRP 86 0.677 4.787 4.205 618 HE3 TRP 86 3HE TRP 86 -0.132 0.985 0.535 619 HZ2 TRP 86 2HZ TRP 86 -0.591 5.765 1.881 620 HZ3 TRP 86 3HZ TRP 86 -1.177 2.636 -0.961 621 HH2 TRP 86 HH TRP 86 -1.402 4.976 -0.300 622 H GLY 87 H GLY 87 3.733 0.804 0.359 623 HA2 GLY 87 1HA GLY 87 5.514 2.229 0.085 624 HA3 GLY 87 2HA GLY 87 4.730 3.199 1.323 625 H GLU 88 H GLU 88 6.760 0.290 0.996 626 HA GLU 88 HA GLU 88 8.507 -0.486 2.229 627 HB2 GLU 88 1HB GLU 88 8.712 2.473 2.707 628 HB3 GLU 88 2HB GLU 88 9.820 1.355 3.491 629 HG2 GLU 88 1HG GLU 88 10.225 0.465 1.094 630 HG3 GLU 88 2HG GLU 88 9.530 2.006 0.593 631 H GLU 89 H GLU 89 6.062 -0.884 3.384 632 HA GLU 89 HA GLU 89 6.784 -1.058 6.173 633 HB2 GLU 89 1HB GLU 89 4.346 0.514 5.320 634 HB3 GLU 89 2HB GLU 89 4.691 0.015 6.970 635 HG2 GLU 89 1HG GLU 89 6.886 1.301 6.702 636 HG3 GLU 89 2HG GLU 89 6.132 2.024 5.282 637 H HIS 90 H HIS 90 4.788 -2.061 7.405 638 HA HIS 90 HA HIS 90 3.485 -4.029 5.650 639 HB2 HIS 90 1HB HIS 90 5.080 -4.512 8.147 640 HB3 HIS 90 2HB HIS 90 3.797 -5.625 7.682 641 HD1 HIS 90 1HD HIS 90 4.491 -7.459 6.173 642 HD2 HIS 90 2HD HIS 90 7.080 -4.217 5.962 643 HE1 HIS 90 1HE HIS 90 6.352 -8.184 4.645 644 H ILE 91 H ILE 91 1.378 -3.627 5.766 645 HA ILE 91 HA ILE 91 -0.016 -2.125 7.547 646 HB ILE 91 HB ILE 91 -2.041 -3.329 6.919 647 HG12 ILE 91 1HG1 ILE 91 -0.258 -5.313 5.501 648 HG13 ILE 91 2HG1 ILE 91 -0.964 -5.613 7.085 649 HG21 ILE 91 1HG2 ILE 91 -1.402 -1.792 5.288 650 HG22 ILE 91 2HG2 ILE 91 -0.022 -2.764 4.778 651 HG23 ILE 91 3HG2 ILE 91 -1.660 -3.281 4.378 652 HD11 ILE 91 3HD1 ILE 91 -2.246 -6.661 5.298 653 HD12 ILE 91 1HD1 ILE 91 -3.192 -5.436 6.143 654 HD13 ILE 91 2HD1 ILE 91 -2.505 -5.082 4.557 655 HA PRO 92 HA PRO 92 -0.158 -4.197 11.420 656 HB2 PRO 92 1HB PRO 92 -2.538 -3.294 12.363 657 HB3 PRO 92 2HB PRO 92 -1.098 -2.275 12.260 658 HG2 PRO 92 1HG PRO 92 -3.434 -2.446 10.396 659 HG3 PRO 92 2HG PRO 92 -2.580 -1.011 10.990 660 HD2 PRO 92 1HD PRO 92 -2.133 -2.059 8.534 661 HD3 PRO 92 2HD PRO 92 -0.862 -1.250 9.472 662 H GLY 93 H GLY 93 -0.328 -6.372 10.725 663 HA2 GLY 93 1HA GLY 93 -2.165 -8.014 11.663 664 HA3 GLY 93 2HA GLY 93 -3.010 -7.431 10.236 665 H SER 94 H SER 94 -0.095 -7.257 9.085 666 HA SER 94 HA SER 94 -0.152 -9.994 8.039 667 HB2 SER 94 1HB SER 94 -0.112 -8.644 6.177 668 HB3 SER 94 2HB SER 94 0.795 -7.369 6.989 669 HG SER 94 HG SER 94 2.633 -8.339 6.501 670 HA PRO 95 HA PRO 95 1.375 -11.073 6.617 671 HB2 PRO 95 1HB PRO 95 2.121 -13.627 7.156 672 HB3 PRO 95 2HB PRO 95 3.210 -12.442 6.426 673 HG2 PRO 95 1HG PRO 95 3.011 -13.326 9.279 674 HG3 PRO 95 2HG PRO 95 4.458 -13.043 8.293 675 HD2 PRO 95 1HD PRO 95 3.543 -11.237 10.091 676 HD3 PRO 95 2HD PRO 95 4.369 -10.759 8.594 677 H PHE 96 H PHE 96 -0.714 -11.579 6.493 678 HA PHE 96 HA PHE 96 -2.224 -12.289 8.811 679 HB2 PHE 96 1HB PHE 96 -2.849 -11.831 5.921 680 HB3 PHE 96 2HB PHE 96 -4.046 -12.626 6.938 681 HD1 PHE 96 1HD PHE 96 -5.114 -11.433 8.769 682 HD2 PHE 96 2HD PHE 96 -2.316 -9.508 6.204 683 HE1 PHE 96 1HE PHE 96 -5.879 -9.241 9.586 684 HE2 PHE 96 2HE PHE 96 -3.075 -7.313 7.017 685 HZ PHE 96 HZ PHE 96 -4.858 -7.178 8.711 686 H HIS 97 H HIS 97 -3.469 -14.193 9.129 687 HA HIS 97 HA HIS 97 -2.160 -16.581 8.062 688 HB2 HIS 97 1HB HIS 97 -2.312 -16.466 10.479 689 HB3 HIS 97 2HB HIS 97 -4.052 -16.208 10.392 690 HD1 HIS 97 1HD HIS 97 -4.876 -18.284 11.527 691 HD2 HIS 97 2HD HIS 97 -2.134 -19.099 8.514 692 HE1 HIS 97 1HE HIS 97 -4.888 -20.785 11.266 693 H VAL 98 H VAL 98 -3.058 -16.961 6.087 694 HA VAL 98 HA VAL 98 -5.983 -17.077 5.885 695 HB VAL 98 HB VAL 98 -3.856 -17.085 3.742 696 HG11 VAL 98 1HG1 VAL 98 -5.355 -18.126 2.461 697 HG12 VAL 98 2HG1 VAL 98 -6.628 -17.940 3.669 698 HG13 VAL 98 3HG1 VAL 98 -6.298 -16.637 2.527 699 HG21 VAL 98 3HG2 VAL 98 -3.997 -14.883 4.331 700 HG22 VAL 98 1HG2 VAL 98 -5.327 -14.958 3.175 701 HG23 VAL 98 2HG2 VAL 98 -5.658 -15.028 4.905 702 H THR 99 H THR 99 -6.843 -18.994 6.318 703 HA THR 99 HA THR 99 -5.335 -21.426 5.656 704 HB THR 99 HB THR 99 -7.728 -21.084 7.473 705 HG1 THR 99 1HG THR 99 -4.939 -21.318 7.922 706 HG21 THR 99 3HG2 THR 99 -7.976 -23.295 7.419 707 HG22 THR 99 1HG2 THR 99 -6.294 -23.510 7.902 708 HG23 THR 99 2HG2 THR 99 -6.713 -23.401 6.192 709 H VAL 100 H VAL 100 -5.949 -22.674 4.015 710 HA VAL 100 HA VAL 100 -8.582 -22.177 2.797 711 HB VAL 100 HB VAL 100 -6.128 -23.410 1.538 712 HG11 VAL 100 1HG1 VAL 100 -8.926 -23.199 0.710 713 HG12 VAL 100 2HG1 VAL 100 -7.772 -22.616 -0.492 714 HG13 VAL 100 3HG1 VAL 100 -7.646 -24.263 0.127 715 HG21 VAL 100 3HG2 VAL 100 -5.613 -21.385 0.590 716 HG22 VAL 100 1HG2 VAL 100 -7.269 -20.789 0.702 717 HG23 VAL 100 2HG2 VAL 100 -6.255 -20.852 2.144 718 HA PRO 101 HA PRO 101 -9.678 -26.224 4.303 719 HB2 PRO 101 1HB PRO 101 -12.152 -26.275 3.186 720 HB3 PRO 101 2HB PRO 101 -11.776 -25.355 4.648 721 HG2 PRO 101 1HG PRO 101 -11.993 -24.407 1.817 722 HG3 PRO 101 2HG PRO 101 -12.607 -23.652 3.300 723 HD2 PRO 101 1HD PRO 101 -10.327 -22.838 2.087 724 HD3 PRO 101 2HD PRO 101 -10.553 -22.760 3.846 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -12.922 25.177 4.553 2 HA2 GLY 1 1HA GLY 1 -12.423 22.644 4.780 3 HA3 GLY 1 2HA GLY 1 -11.164 23.015 3.612 4 H SER 2 H SER 2 -10.087 21.967 5.658 5 HA SER 2 HA SER 2 -9.630 23.701 7.882 6 HB2 SER 2 1HB SER 2 -8.382 21.123 6.952 7 HB3 SER 2 2HB SER 2 -7.737 22.007 8.335 8 HG SER 2 HG SER 2 -10.483 21.529 8.275 9 H SER 3 H SER 3 -7.158 24.010 8.487 10 HA SER 3 HA SER 3 -5.983 25.490 6.235 11 HB2 SER 3 1HB SER 3 -4.716 26.717 8.025 12 HB3 SER 3 2HB SER 3 -6.466 26.919 8.115 13 HG SER 3 HG SER 3 -6.155 26.316 10.112 14 H GLY 4 H GLY 4 -4.908 23.648 9.101 15 HA2 GLY 4 1HA GLY 4 -2.333 23.138 7.891 16 HA3 GLY 4 2HA GLY 4 -2.883 22.567 9.460 17 H SER 5 H SER 5 -1.902 21.541 6.536 18 HA SER 5 HA SER 5 -3.740 19.262 6.402 19 HB2 SER 5 1HB SER 5 -1.589 20.116 4.449 20 HB3 SER 5 2HB SER 5 -2.762 18.822 4.201 21 HG SER 5 HG SER 5 -3.082 21.568 4.043 22 H SER 6 H SER 6 -2.970 17.117 6.362 23 HA SER 6 HA SER 6 -0.427 16.775 7.789 24 HB2 SER 6 1HB SER 6 -1.287 14.624 8.520 25 HB3 SER 6 2HB SER 6 -2.489 15.870 8.853 26 HG SER 6 HG SER 6 -3.229 13.842 7.813 27 H GLY 7 H GLY 7 1.270 16.134 6.650 28 HA2 GLY 7 1HA GLY 7 0.792 14.566 4.192 29 HA3 GLY 7 2HA GLY 7 2.137 15.676 4.408 30 H SER 8 H SER 8 0.781 12.593 5.447 31 HA SER 8 HA SER 8 3.424 11.464 5.644 32 HB2 SER 8 1HB SER 8 2.807 12.626 7.910 33 HB3 SER 8 2HB SER 8 1.777 11.213 8.139 34 HG SER 8 HG SER 8 4.578 11.219 7.679 35 H SER 9 H SER 9 3.393 9.147 5.921 36 HA SER 9 HA SER 9 0.770 7.951 5.307 37 HB2 SER 9 1HB SER 9 1.951 6.310 3.887 38 HB3 SER 9 2HB SER 9 2.190 7.960 3.311 39 HG SER 9 HG SER 9 4.209 7.890 4.548 40 H ASP 10 H ASP 10 0.133 6.825 7.019 41 HA ASP 10 HA ASP 10 2.147 5.294 8.529 42 HB2 ASP 10 1HB ASP 10 0.693 7.142 9.652 43 HB3 ASP 10 2HB ASP 10 -0.588 5.935 9.590 44 H ALA 11 H ALA 11 2.140 3.191 8.135 45 HA ALA 11 HA ALA 11 0.077 1.876 6.704 46 HB1 ALA 11 3HB ALA 11 1.369 -0.202 7.313 47 HB2 ALA 11 1HB ALA 11 2.279 1.044 6.458 48 HB3 ALA 11 2HB ALA 11 2.475 0.847 8.200 49 H SER 12 H SER 12 0.933 2.037 10.123 50 HA SER 12 HA SER 12 -0.651 0.034 11.161 51 HB2 SER 12 1HB SER 12 -0.075 2.762 12.340 52 HB3 SER 12 2HB SER 12 -0.739 1.400 13.242 53 HG SER 12 HG SER 12 1.729 1.317 11.847 54 H LYS 13 H LYS 13 -1.594 3.118 9.864 55 HA LYS 13 HA LYS 13 -4.273 3.013 10.934 56 HB2 LYS 13 1HB LYS 13 -3.112 4.806 8.793 57 HB3 LYS 13 2HB LYS 13 -4.658 5.030 9.601 58 HG2 LYS 13 1HG LYS 13 -1.968 5.100 10.951 59 HG3 LYS 13 2HG LYS 13 -2.915 6.512 10.479 60 HD2 LYS 13 1HD LYS 13 -4.713 5.821 11.973 61 HD3 LYS 13 2HD LYS 13 -3.801 4.378 12.422 62 HE2 LYS 13 1HE LYS 13 -2.040 5.773 13.367 63 HE3 LYS 13 2HE LYS 13 -2.915 7.225 12.884 64 HZ1 LYS 13 3HZ LYS 13 -3.447 5.379 15.080 65 HZ2 LYS 13 1HZ LYS 13 -4.791 6.052 14.302 66 HZ3 LYS 13 2HZ LYS 13 -3.631 7.060 15.010 67 H VAL 14 H VAL 14 -2.631 2.087 8.002 68 HA VAL 14 HA VAL 14 -4.802 1.874 6.257 69 HB VAL 14 HB VAL 14 -2.281 0.216 6.382 70 HG11 VAL 14 1HG1 VAL 14 -4.625 0.072 4.623 71 HG12 VAL 14 2HG1 VAL 14 -3.073 0.146 3.785 72 HG13 VAL 14 3HG1 VAL 14 -3.382 -1.132 4.961 73 HG21 VAL 14 3HG2 VAL 14 -1.664 1.705 4.434 74 HG22 VAL 14 1HG2 VAL 14 -3.050 2.703 4.874 75 HG23 VAL 14 2HG2 VAL 14 -1.721 2.488 6.014 76 H THR 15 H THR 15 -6.552 0.644 6.328 77 HA THR 15 HA THR 15 -6.464 -1.846 7.901 78 HB THR 15 HB THR 15 -8.939 -1.609 8.099 79 HG1 THR 15 1HG THR 15 -8.847 0.001 6.197 80 HG21 THR 15 3HG2 THR 15 -8.410 -0.726 10.073 81 HG22 THR 15 1HG2 THR 15 -8.380 0.872 9.329 82 HG23 THR 15 2HG2 THR 15 -6.904 -0.089 9.414 83 H SER 16 H SER 16 -7.534 -3.693 7.098 84 HA SER 16 HA SER 16 -8.239 -3.606 4.243 85 HB2 SER 16 1HB SER 16 -7.152 -5.859 4.009 86 HB3 SER 16 2HB SER 16 -6.021 -4.545 4.334 87 HG SER 16 HG SER 16 -5.545 -5.416 6.197 88 H LYS 17 H LYS 17 -9.917 -4.908 3.602 89 HA LYS 17 HA LYS 17 -11.191 -6.586 5.649 90 HB2 LYS 17 1HB LYS 17 -13.413 -5.748 4.850 91 HB3 LYS 17 2HB LYS 17 -12.448 -4.549 5.700 92 HG2 LYS 17 1HG LYS 17 -11.670 -3.968 3.237 93 HG3 LYS 17 2HG LYS 17 -13.239 -4.677 2.847 94 HD2 LYS 17 1HD LYS 17 -13.793 -2.457 3.141 95 HD3 LYS 17 2HD LYS 17 -14.101 -3.114 4.750 96 HE2 LYS 17 1HE LYS 17 -11.414 -1.989 4.077 97 HE3 LYS 17 2HE LYS 17 -12.744 -0.908 4.488 98 HZ1 LYS 17 3HZ LYS 17 -11.756 -1.296 6.517 99 HZ2 LYS 17 1HZ LYS 17 -11.403 -2.915 6.173 100 HZ3 LYS 17 2HZ LYS 17 -12.992 -2.451 6.519 101 H GLY 18 H GLY 18 -12.469 -8.310 4.844 102 HA2 GLY 18 1HA GLY 18 -13.451 -9.254 2.712 103 HA3 GLY 18 2HA GLY 18 -11.851 -8.986 2.036 104 H ALA 19 H ALA 19 -13.619 -11.426 2.665 105 HA ALA 19 HA ALA 19 -12.531 -13.017 4.636 106 HB1 ALA 19 3HB ALA 19 -13.560 -14.819 3.614 107 HB2 ALA 19 1HB ALA 19 -14.487 -13.454 2.989 108 HB3 ALA 19 2HB ALA 19 -13.245 -14.210 1.989 109 H GLY 20 H GLY 20 -11.375 -12.540 1.316 110 HA2 GLY 20 1HA GLY 20 -9.417 -14.417 1.085 111 HA3 GLY 20 2HA GLY 20 -9.248 -12.785 0.456 112 H LEU 21 H LEU 21 -9.370 -11.624 3.178 113 HA LEU 21 HA LEU 21 -6.565 -11.747 3.735 114 HB2 LEU 21 1HB LEU 21 -8.845 -10.371 5.140 115 HB3 LEU 21 2HB LEU 21 -7.156 -10.204 5.613 116 HG LEU 21 HG LEU 21 -8.029 -9.505 2.834 117 HD11 LEU 21 1HD1 LEU 21 -7.957 -7.460 5.015 118 HD12 LEU 21 2HD1 LEU 21 -9.434 -8.365 4.684 119 HD13 LEU 21 3HD1 LEU 21 -8.708 -7.373 3.421 120 HD21 LEU 21 3HD2 LEU 21 -5.646 -9.230 4.498 121 HD22 LEU 21 1HD2 LEU 21 -6.119 -7.736 3.688 122 HD23 LEU 21 2HD2 LEU 21 -5.817 -9.194 2.742 123 H SER 22 H SER 22 -9.476 -13.070 5.176 124 HA SER 22 HA SER 22 -8.039 -14.100 7.476 125 HB2 SER 22 1HB SER 22 -10.404 -13.257 7.622 126 HB3 SER 22 2HB SER 22 -10.901 -14.648 6.658 127 HG SER 22 HG SER 22 -10.232 -16.000 8.295 128 H LYS 23 H LYS 23 -9.927 -15.503 4.796 129 HA LYS 23 HA LYS 23 -8.053 -17.702 4.598 130 HB2 LYS 23 1HB LYS 23 -9.774 -19.441 4.848 131 HB3 LYS 23 2HB LYS 23 -9.558 -18.520 6.331 132 HG2 LYS 23 1HG LYS 23 -11.573 -17.294 5.943 133 HG3 LYS 23 2HG LYS 23 -11.749 -18.000 4.334 134 HD2 LYS 23 1HD LYS 23 -13.198 -19.314 5.540 135 HD3 LYS 23 2HD LYS 23 -11.714 -20.261 5.667 136 HE2 LYS 23 1HE LYS 23 -11.262 -19.224 7.849 137 HE3 LYS 23 2HE LYS 23 -12.768 -18.317 7.720 138 HZ1 LYS 23 3HZ LYS 23 -13.763 -20.035 8.672 139 HZ2 LYS 23 1HZ LYS 23 -12.359 -20.977 8.605 140 HZ3 LYS 23 2HZ LYS 23 -13.431 -20.962 7.296 141 H ALA 24 H ALA 24 -8.744 -19.226 2.790 142 HA ALA 24 HA ALA 24 -10.376 -17.884 0.760 143 HB1 ALA 24 3HB ALA 24 -8.530 -17.211 -0.303 144 HB2 ALA 24 1HB ALA 24 -7.487 -18.253 0.666 145 HB3 ALA 24 2HB ALA 24 -8.320 -18.906 -0.745 146 H PHE 25 H PHE 25 -10.866 -19.331 -1.097 147 HA PHE 25 HA PHE 25 -10.888 -22.163 -0.290 148 HB2 PHE 25 1HB PHE 25 -13.131 -20.489 -1.405 149 HB3 PHE 25 2HB PHE 25 -13.142 -22.246 -1.516 150 HD1 PHE 25 2HD PHE 25 -12.622 -19.572 1.033 151 HD2 PHE 25 1HD PHE 25 -14.215 -23.416 0.137 152 HE1 PHE 25 2HE PHE 25 -13.568 -19.704 3.300 153 HE2 PHE 25 1HE PHE 25 -15.165 -23.554 2.403 154 HZ PHE 25 HZ PHE 25 -14.841 -21.698 3.988 155 H VAL 26 H VAL 26 -10.474 -23.656 -1.856 156 HA VAL 26 HA VAL 26 -8.976 -22.957 -4.085 157 HB VAL 26 HB VAL 26 -10.582 -25.486 -3.694 158 HG11 VAL 26 1HG1 VAL 26 -8.132 -25.804 -5.153 159 HG12 VAL 26 2HG1 VAL 26 -9.780 -26.214 -5.633 160 HG13 VAL 26 3HG1 VAL 26 -9.149 -24.594 -5.934 161 HG21 VAL 26 3HG2 VAL 26 -7.725 -24.846 -2.965 162 HG22 VAL 26 1HG2 VAL 26 -9.063 -25.058 -1.836 163 HG23 VAL 26 2HG2 VAL 26 -8.501 -26.422 -2.803 164 H GLY 27 H GLY 27 -9.447 -22.276 -6.080 165 HA2 GLY 27 1HA GLY 27 -10.653 -22.048 -8.061 166 HA3 GLY 27 2HA GLY 27 -11.995 -22.901 -7.313 167 H GLN 28 H GLN 28 -12.562 -21.399 -5.126 168 HA GLN 28 HA GLN 28 -14.092 -19.308 -6.174 169 HB2 GLN 28 1HB GLN 28 -13.194 -19.851 -3.343 170 HB3 GLN 28 2HB GLN 28 -14.367 -18.615 -3.773 171 HG2 GLN 28 1HG GLN 28 -15.724 -20.462 -4.838 172 HG3 GLN 28 2HG GLN 28 -14.629 -21.592 -4.043 173 HE21 GLN 28 1HE2 GLN 28 -15.230 -22.284 -2.126 174 HE22 GLN 28 2HE2 GLN 28 -16.327 -21.491 -1.053 175 H LYS 29 H LYS 29 -13.678 -17.242 -6.632 176 HA LYS 29 HA LYS 29 -10.993 -16.258 -6.465 177 HB2 LYS 29 1HB LYS 29 -12.869 -15.789 -8.244 178 HB3 LYS 29 2HB LYS 29 -13.324 -14.503 -7.134 179 HG2 LYS 29 1HG LYS 29 -11.142 -13.501 -7.329 180 HG3 LYS 29 2HG LYS 29 -10.582 -14.841 -8.332 181 HD2 LYS 29 1HD LYS 29 -12.992 -13.314 -9.194 182 HD3 LYS 29 2HD LYS 29 -11.401 -12.579 -9.408 183 HE2 LYS 29 1HE LYS 29 -10.663 -14.494 -10.701 184 HE3 LYS 29 2HE LYS 29 -12.204 -15.304 -10.426 185 HZ1 LYS 29 3HZ LYS 29 -11.574 -13.659 -12.526 186 HZ2 LYS 29 1HZ LYS 29 -12.570 -12.710 -11.541 187 HZ3 LYS 29 2HZ LYS 29 -13.118 -14.206 -12.106 188 H SER 30 H SER 30 -10.144 -15.466 -4.663 189 HA SER 30 HA SER 30 -11.875 -14.294 -2.628 190 HB2 SER 30 1HB SER 30 -9.096 -15.387 -2.672 191 HB3 SER 30 2HB SER 30 -9.500 -14.188 -1.443 192 HG SER 30 HG SER 30 -10.372 -16.804 -1.735 193 H SER 31 H SER 31 -12.110 -12.178 -2.374 194 HA SER 31 HA SER 31 -10.062 -10.388 -3.507 195 HB2 SER 31 1HB SER 31 -11.659 -9.001 -4.457 196 HB3 SER 31 2HB SER 31 -12.409 -10.582 -4.680 197 HG SER 31 HG SER 31 -13.275 -9.935 -2.395 198 H PHE 32 H PHE 32 -9.969 -8.248 -2.503 199 HA PHE 32 HA PHE 32 -11.230 -7.839 0.045 200 HB2 PHE 32 1HB PHE 32 -9.165 -7.787 1.373 201 HB3 PHE 32 2HB PHE 32 -9.448 -9.391 0.703 202 HD1 PHE 32 1HD PHE 32 -7.392 -6.357 0.470 203 HD2 PHE 32 2HD PHE 32 -7.952 -10.352 -0.887 204 HE1 PHE 32 1HE PHE 32 -5.139 -6.333 -0.521 205 HE2 PHE 32 2HE PHE 32 -5.701 -10.335 -1.879 206 HZ PHE 32 HZ PHE 32 -4.291 -8.324 -1.696 207 H LEU 33 H LEU 33 -11.275 -5.715 0.590 208 HA LEU 33 HA LEU 33 -9.864 -3.874 -1.215 209 HB2 LEU 33 1HB LEU 33 -12.444 -3.941 -0.940 210 HB3 LEU 33 2HB LEU 33 -12.134 -3.085 0.569 211 HG LEU 33 HG LEU 33 -12.714 -1.478 -1.098 212 HD11 LEU 33 1HD1 LEU 33 -10.558 -1.255 0.452 213 HD12 LEU 33 2HD1 LEU 33 -11.060 0.010 -0.669 214 HD13 LEU 33 3HD1 LEU 33 -9.778 -1.112 -1.124 215 HD21 LEU 33 3HD2 LEU 33 -10.698 -2.935 -2.770 216 HD22 LEU 33 1HD2 LEU 33 -11.132 -1.261 -3.116 217 HD23 LEU 33 2HD2 LEU 33 -12.369 -2.517 -3.152 218 H VAL 34 H VAL 34 -8.504 -2.345 -0.448 219 HA VAL 34 HA VAL 34 -8.081 -2.276 2.469 220 HB VAL 34 HB VAL 34 -6.047 -1.767 0.293 221 HG11 VAL 34 1HG1 VAL 34 -5.123 -0.547 1.952 222 HG12 VAL 34 2HG1 VAL 34 -6.050 -1.361 3.214 223 HG13 VAL 34 3HG1 VAL 34 -4.612 -2.129 2.540 224 HG21 VAL 34 3HG2 VAL 34 -6.014 -4.011 0.200 225 HG22 VAL 34 1HG2 VAL 34 -5.138 -3.894 1.727 226 HG23 VAL 34 2HG2 VAL 34 -6.878 -4.187 1.728 227 H ASP 35 H ASP 35 -8.551 -0.420 3.428 228 HA ASP 35 HA ASP 35 -8.971 1.969 1.817 229 HB2 ASP 35 1HB ASP 35 -10.630 1.225 3.552 230 HB3 ASP 35 2HB ASP 35 -9.428 1.603 4.783 231 H CYS 36 H CYS 36 -7.307 3.269 1.453 232 HA CYS 36 HA CYS 36 -5.262 3.562 3.551 233 HB2 CYS 36 1HB CYS 36 -4.919 4.195 0.619 234 HB3 CYS 36 2HB CYS 36 -3.662 4.071 1.844 235 HG CYS 36 HG CYS 36 -5.461 1.515 0.464 236 H SER 37 H SER 37 -7.760 5.006 3.496 237 HA SER 37 HA SER 37 -7.235 7.657 2.516 238 HB2 SER 37 1HB SER 37 -9.531 6.453 2.859 239 HB3 SER 37 2HB SER 37 -9.382 7.032 4.518 240 HG SER 37 HG SER 37 -8.880 8.906 2.548 241 H LYS 38 H LYS 38 -7.829 6.399 5.803 242 HA LYS 38 HA LYS 38 -6.947 8.702 7.142 243 HB2 LYS 38 1HB LYS 38 -6.750 7.183 9.129 244 HB3 LYS 38 2HB LYS 38 -8.307 7.119 8.313 245 HG2 LYS 38 1HG LYS 38 -7.542 5.071 7.136 246 HG3 LYS 38 2HG LYS 38 -6.072 5.113 8.112 247 HD2 LYS 38 1HD LYS 38 -7.395 3.668 9.330 248 HD3 LYS 38 2HD LYS 38 -7.745 5.210 10.115 249 HE2 LYS 38 1HE LYS 38 -9.853 4.288 9.808 250 HE3 LYS 38 2HE LYS 38 -9.688 5.367 8.423 251 HZ1 LYS 38 3HZ LYS 38 -10.562 3.050 7.976 252 HZ2 LYS 38 1HZ LYS 38 -8.988 2.498 8.260 253 HZ3 LYS 38 2HZ LYS 38 -9.290 3.578 6.994 254 H ALA 39 H ALA 39 -5.224 5.979 5.826 255 HA ALA 39 HA ALA 39 -2.830 6.122 7.238 256 HB1 ALA 39 3HB ALA 39 -3.769 4.892 4.811 257 HB2 ALA 39 1HB ALA 39 -2.122 5.490 4.612 258 HB3 ALA 39 2HB ALA 39 -2.501 4.366 5.918 259 H GLY 40 H GLY 40 -3.316 7.445 3.955 260 HA2 GLY 40 1HA GLY 40 -2.642 10.038 4.250 261 HA3 GLY 40 2HA GLY 40 -1.077 9.243 4.326 262 H SER 41 H SER 41 -0.084 9.591 2.452 263 HA SER 41 HA SER 41 -1.548 8.948 -0.017 264 HB2 SER 41 1HB SER 41 0.009 11.413 0.645 265 HB3 SER 41 2HB SER 41 0.045 10.812 -1.012 266 HG SER 41 HG SER 41 -1.827 12.265 0.112 267 H ASN 42 H ASN 42 -0.550 6.894 0.019 268 HA ASN 42 HA ASN 42 2.222 6.950 -0.932 269 HB2 ASN 42 1HB ASN 42 1.173 5.515 1.455 270 HB3 ASN 42 2HB ASN 42 2.337 4.660 0.446 271 HD21 ASN 42 1HD2 ASN 42 3.859 4.694 2.109 272 HD22 ASN 42 2HD2 ASN 42 4.728 6.130 2.518 273 H MET 43 H MET 43 2.774 4.504 -1.586 274 HA MET 43 HA MET 43 0.645 3.747 -3.452 275 HB2 MET 43 1HB MET 43 2.444 2.474 -4.614 276 HB3 MET 43 2HB MET 43 2.757 4.202 -4.513 277 HG2 MET 43 1HG MET 43 4.413 3.927 -2.890 278 HG3 MET 43 2HG MET 43 3.889 2.289 -2.508 279 HE1 MET 43 3HE MET 43 4.113 0.819 -5.915 280 HE2 MET 43 1HE MET 43 5.199 -0.008 -4.798 281 HE3 MET 43 2HE MET 43 3.641 0.595 -4.230 282 H LEU 44 H LEU 44 -0.308 1.775 -3.436 283 HA LEU 44 HA LEU 44 0.396 -0.003 -1.206 284 HB2 LEU 44 1HB LEU 44 -1.912 0.953 -1.337 285 HB3 LEU 44 2HB LEU 44 -2.145 0.036 -2.824 286 HG LEU 44 HG LEU 44 -1.641 -2.038 -1.410 287 HD11 LEU 44 1HD1 LEU 44 -2.194 -0.043 0.780 288 HD12 LEU 44 2HD1 LEU 44 -0.700 -0.943 0.526 289 HD13 LEU 44 3HD1 LEU 44 -2.175 -1.795 0.983 290 HD21 LEU 44 3HD2 LEU 44 -4.118 -0.361 -1.169 291 HD22 LEU 44 1HD2 LEU 44 -4.006 -1.962 -0.437 292 HD23 LEU 44 2HD2 LEU 44 -3.832 -1.777 -2.183 293 H LEU 45 H LEU 45 1.720 -1.586 -1.821 294 HA LEU 45 HA LEU 45 1.192 -2.924 -4.393 295 HB2 LEU 45 1HB LEU 45 3.471 -3.341 -4.665 296 HB3 LEU 45 2HB LEU 45 3.387 -1.675 -4.098 297 HG LEU 45 HG LEU 45 5.225 -2.714 -3.007 298 HD11 LEU 45 1HD1 LEU 45 3.594 -1.289 -1.662 299 HD12 LEU 45 2HD1 LEU 45 4.718 -2.303 -0.758 300 HD13 LEU 45 3HD1 LEU 45 3.039 -2.805 -0.952 301 HD21 LEU 45 3HD2 LEU 45 3.991 -5.061 -3.365 302 HD22 LEU 45 1HD2 LEU 45 3.621 -4.800 -1.660 303 HD23 LEU 45 2HD2 LEU 45 5.299 -4.829 -2.203 304 H ILE 46 H ILE 46 1.894 -5.245 -4.428 305 HA ILE 46 HA ILE 46 1.480 -6.538 -1.815 306 HB ILE 46 HB ILE 46 0.318 -7.520 -4.423 307 HG12 ILE 46 1HG1 ILE 46 -0.773 -5.443 -3.598 308 HG13 ILE 46 2HG1 ILE 46 -1.847 -6.837 -3.572 309 HG21 ILE 46 1HG2 ILE 46 -0.104 -8.474 -1.594 310 HG22 ILE 46 2HG2 ILE 46 -0.855 -9.138 -3.044 311 HG23 ILE 46 3HG2 ILE 46 0.887 -9.280 -2.809 312 HD11 ILE 46 3HD1 ILE 46 -0.469 -6.577 -1.065 313 HD12 ILE 46 1HD1 ILE 46 -1.299 -5.080 -1.486 314 HD13 ILE 46 2HD1 ILE 46 -2.200 -6.594 -1.403 315 H GLY 47 H GLY 47 2.494 -8.553 -1.516 316 HA2 GLY 47 1HA GLY 47 4.389 -9.367 -3.617 317 HA3 GLY 47 2HA GLY 47 4.973 -9.071 -1.986 318 H VAL 48 H VAL 48 2.136 -10.773 -3.317 319 HA VAL 48 HA VAL 48 1.784 -12.694 -1.449 320 HB VAL 48 HB VAL 48 0.934 -14.196 -3.207 321 HG11 VAL 48 1HG1 VAL 48 -0.781 -12.693 -4.094 322 HG12 VAL 48 2HG1 VAL 48 -0.473 -12.380 -2.385 323 HG13 VAL 48 3HG1 VAL 48 0.189 -11.301 -3.614 324 HG21 VAL 48 3HG2 VAL 48 2.716 -12.612 -4.852 325 HG22 VAL 48 1HG2 VAL 48 1.968 -14.176 -5.181 326 HG23 VAL 48 2HG2 VAL 48 1.090 -12.687 -5.532 327 H HIS 49 H HIS 49 3.229 -13.930 -0.452 328 HA HIS 49 HA HIS 49 5.703 -14.711 -1.639 329 HB2 HIS 49 1HB HIS 49 4.350 -15.132 0.976 330 HB3 HIS 49 2HB HIS 49 5.613 -16.276 0.530 331 HD1 HIS 49 1HD HIS 49 5.157 -12.520 0.887 332 HD2 HIS 49 2HD HIS 49 8.123 -15.421 1.104 333 HE1 HIS 49 1HE HIS 49 7.222 -11.314 1.666 334 H GLY 50 H GLY 50 6.385 -16.727 -2.332 335 HA2 GLY 50 1HA GLY 50 4.333 -18.829 -2.529 336 HA3 GLY 50 2HA GLY 50 5.184 -18.306 -3.975 337 HA PRO 51 HA PRO 51 8.576 -20.377 -1.242 338 HB2 PRO 51 1HB PRO 51 7.784 -21.477 1.110 339 HB3 PRO 51 2HB PRO 51 8.316 -19.797 0.965 340 HG2 PRO 51 1HG PRO 51 5.535 -20.902 1.064 341 HG3 PRO 51 2HG PRO 51 6.202 -19.476 1.881 342 HD2 PRO 51 1HD PRO 51 4.717 -19.300 -0.377 343 HD3 PRO 51 2HD PRO 51 6.024 -18.159 -0.002 344 H THR 52 H THR 52 5.355 -21.826 -0.911 345 HA THR 52 HA THR 52 6.483 -24.369 -1.888 346 HB THR 52 HB THR 52 4.601 -25.508 -0.711 347 HG1 THR 52 1HG THR 52 3.081 -24.048 -0.252 348 HG21 THR 52 3HG2 THR 52 6.352 -23.863 1.118 349 HG22 THR 52 1HG2 THR 52 6.868 -25.327 0.283 350 HG23 THR 52 2HG2 THR 52 5.589 -25.407 1.495 351 H THR 53 H THR 53 3.359 -22.659 -1.639 352 HA THR 53 HA THR 53 2.848 -23.365 -4.449 353 HB THR 53 HB THR 53 0.416 -23.635 -3.837 354 HG1 THR 53 1HG THR 53 0.072 -22.949 -1.840 355 HG21 THR 53 3HG2 THR 53 2.614 -25.491 -3.184 356 HG22 THR 53 1HG2 THR 53 1.222 -25.711 -4.243 357 HG23 THR 53 2HG2 THR 53 1.041 -25.898 -2.499 358 HA PRO 54 HA PRO 54 2.342 -18.859 -4.154 359 HB2 PRO 54 1HB PRO 54 2.798 -18.430 -6.796 360 HB3 PRO 54 2HB PRO 54 4.099 -18.639 -5.618 361 HG2 PRO 54 1HG PRO 54 2.931 -20.630 -7.524 362 HG3 PRO 54 2HG PRO 54 4.632 -20.336 -7.116 363 HD2 PRO 54 1HD PRO 54 3.212 -22.384 -6.056 364 HD3 PRO 54 2HD PRO 54 4.505 -21.556 -5.164 365 H CYS 55 H CYS 55 1.033 -17.357 -5.686 366 HA CYS 55 HA CYS 55 -1.575 -18.612 -6.050 367 HB2 CYS 55 1HB CYS 55 -2.494 -16.411 -6.017 368 HB3 CYS 55 2HB CYS 55 -1.283 -16.471 -4.742 369 HG CYS 55 HG CYS 55 0.064 -15.415 -7.570 370 H GLU 56 H GLU 56 -2.837 -18.267 -7.958 371 HA GLU 56 HA GLU 56 -1.431 -18.730 -10.347 372 HB2 GLU 56 1HB GLU 56 -4.283 -18.132 -9.672 373 HB3 GLU 56 2HB GLU 56 -3.778 -18.105 -11.355 374 HG2 GLU 56 1HG GLU 56 -3.197 -20.456 -9.596 375 HG3 GLU 56 2HG GLU 56 -4.751 -20.273 -10.408 376 H GLU 57 H GLU 57 -3.000 -15.819 -9.076 377 HA GLU 57 HA GLU 57 -1.204 -14.081 -10.403 378 HB2 GLU 57 1HB GLU 57 -2.582 -13.101 -12.071 379 HB3 GLU 57 2HB GLU 57 -2.663 -14.839 -12.319 380 HG2 GLU 57 1HG GLU 57 -4.800 -14.764 -10.931 381 HG3 GLU 57 2HG GLU 57 -4.744 -13.018 -11.168 382 H VAL 58 H VAL 58 -2.121 -11.729 -10.315 383 HA VAL 58 HA VAL 58 -3.959 -11.351 -8.077 384 HB VAL 58 HB VAL 58 -1.151 -10.236 -8.100 385 HG11 VAL 58 1HG1 VAL 58 -3.510 -9.648 -6.327 386 HG12 VAL 58 2HG1 VAL 58 -1.846 -9.283 -5.869 387 HG13 VAL 58 3HG1 VAL 58 -2.560 -8.514 -7.287 388 HG21 VAL 58 3HG2 VAL 58 -2.529 -12.375 -6.540 389 HG22 VAL 58 1HG2 VAL 58 -0.908 -12.356 -7.235 390 HG23 VAL 58 2HG2 VAL 58 -1.252 -11.430 -5.774 391 H SER 59 H SER 59 -5.405 -9.909 -8.717 392 HA SER 59 HA SER 59 -4.620 -7.888 -10.700 393 HB2 SER 59 1HB SER 59 -6.515 -9.421 -11.266 394 HB3 SER 59 2HB SER 59 -7.414 -8.743 -9.909 395 HG SER 59 HG SER 59 -7.354 -7.821 -12.336 396 H MET 60 H MET 60 -4.052 -6.018 -9.805 397 HA MET 60 HA MET 60 -5.533 -5.079 -7.442 398 HB2 MET 60 1HB MET 60 -2.805 -4.228 -8.430 399 HB3 MET 60 2HB MET 60 -3.594 -3.663 -6.963 400 HG2 MET 60 1HG MET 60 -3.505 -5.895 -6.024 401 HG3 MET 60 2HG MET 60 -2.784 -6.508 -7.511 402 HE1 MET 60 3HE MET 60 -0.695 -3.515 -4.690 403 HE2 MET 60 1HE MET 60 -1.869 -2.991 -5.897 404 HE3 MET 60 2HE MET 60 -2.382 -4.016 -4.557 405 H LYS 61 H LYS 61 -6.807 -3.355 -7.628 406 HA LYS 61 HA LYS 61 -6.367 -1.498 -9.864 407 HB2 LYS 61 1HB LYS 61 -8.324 -3.279 -10.055 408 HB3 LYS 61 2HB LYS 61 -9.165 -2.120 -9.034 409 HG2 LYS 61 1HG LYS 61 -7.795 -1.089 -11.454 410 HG3 LYS 61 2HG LYS 61 -9.282 -2.015 -11.671 411 HD2 LYS 61 1HD LYS 61 -10.518 -0.494 -10.315 412 HD3 LYS 61 2HD LYS 61 -9.046 0.326 -9.788 413 HE2 LYS 61 1HE LYS 61 -8.657 1.064 -12.103 414 HE3 LYS 61 2HE LYS 61 -10.158 0.280 -12.593 415 HZ1 LYS 61 3HZ LYS 61 -10.900 1.867 -10.512 416 HZ2 LYS 61 1HZ LYS 61 -11.113 2.224 -12.152 417 HZ3 LYS 61 2HZ LYS 61 -9.761 2.816 -11.326 418 H HIS 62 H HIS 62 -6.976 0.648 -9.494 419 HA HIS 62 HA HIS 62 -7.285 1.324 -6.656 420 HB2 HIS 62 1HB HIS 62 -5.360 2.365 -7.599 421 HB3 HIS 62 2HB HIS 62 -6.257 2.892 -9.020 422 HD1 HIS 62 1HD HIS 62 -6.938 5.263 -8.967 423 HD2 HIS 62 2HD HIS 62 -6.444 3.717 -5.142 424 HE1 HIS 62 1HE HIS 62 -7.327 7.195 -7.405 425 H VAL 63 H VAL 63 -9.616 0.592 -7.145 426 HA VAL 63 HA VAL 63 -11.487 1.749 -8.664 427 HB VAL 63 HB VAL 63 -13.001 1.748 -6.545 428 HG11 VAL 63 1HG1 VAL 63 -12.731 -0.887 -6.558 429 HG12 VAL 63 2HG1 VAL 63 -13.418 -0.016 -7.930 430 HG13 VAL 63 3HG1 VAL 63 -11.731 -0.530 -7.966 431 HG21 VAL 63 3HG2 VAL 63 -10.670 1.663 -5.209 432 HG22 VAL 63 1HG2 VAL 63 -12.179 1.010 -4.572 433 HG23 VAL 63 2HG2 VAL 63 -11.007 -0.064 -5.337 434 H GLY 64 H GLY 64 -9.782 3.324 -6.049 435 HA2 GLY 64 1HA GLY 64 -9.502 5.759 -6.321 436 HA3 GLY 64 2HA GLY 64 -11.213 5.823 -6.719 437 H ASN 65 H ASN 65 -11.084 7.503 -4.976 438 HA ASN 65 HA ASN 65 -11.335 8.212 -2.813 439 HB2 ASN 65 1HB ASN 65 -13.062 5.758 -3.024 440 HB3 ASN 65 2HB ASN 65 -13.004 6.697 -1.536 441 HD21 ASN 65 1HD2 ASN 65 -15.306 6.954 -2.015 442 HD22 ASN 65 2HD2 ASN 65 -15.794 8.242 -3.058 443 H GLN 66 H GLN 66 -8.953 6.701 -3.216 444 HA GLN 66 HA GLN 66 -7.250 5.805 -2.003 445 HB2 GLN 66 1HB GLN 66 -8.999 6.239 0.420 446 HB3 GLN 66 2HB GLN 66 -7.249 6.069 0.389 447 HG2 GLN 66 1HG GLN 66 -8.599 8.299 -1.078 448 HG3 GLN 66 2HG GLN 66 -8.272 8.412 0.651 449 HE21 GLN 66 1HE2 GLN 66 -7.194 9.809 -1.793 450 HE22 GLN 66 2HE2 GLN 66 -5.479 9.694 -1.628 451 H GLN 67 H GLN 67 -9.224 4.090 -3.136 452 HA GLN 67 HA GLN 67 -9.148 1.845 -1.229 453 HB2 GLN 67 1HB GLN 67 -11.181 2.450 -3.380 454 HB3 GLN 67 2HB GLN 67 -11.123 0.944 -2.474 455 HG2 GLN 67 1HG GLN 67 -11.498 2.179 -0.399 456 HG3 GLN 67 2HG GLN 67 -11.566 3.685 -1.313 457 HE21 GLN 67 1HE2 GLN 67 -13.146 3.423 -3.291 458 HE22 GLN 67 2HE2 GLN 67 -14.707 2.818 -2.867 459 H TYR 68 H TYR 68 -8.376 -0.104 -1.921 460 HA TYR 68 HA TYR 68 -7.442 -0.259 -4.709 461 HB2 TYR 68 1HB TYR 68 -5.952 -0.972 -2.186 462 HB3 TYR 68 2HB TYR 68 -5.480 -1.590 -3.765 463 HD1 TYR 68 2HD TYR 68 -4.734 0.004 -5.535 464 HD2 TYR 68 1HD TYR 68 -5.423 1.248 -1.526 465 HE1 TYR 68 2HE TYR 68 -3.433 2.049 -5.953 466 HE2 TYR 68 1HE TYR 68 -4.125 3.298 -1.932 467 HH TYR 68 HH TYR 68 -3.251 4.334 -5.030 468 H ASN 69 H ASN 69 -8.563 -1.808 -5.679 469 HA ASN 69 HA ASN 69 -9.631 -4.042 -4.164 470 HB2 ASN 69 1HB ASN 69 -10.748 -2.664 -6.134 471 HB3 ASN 69 2HB ASN 69 -9.910 -3.849 -7.131 472 HD21 ASN 69 1HD2 ASN 69 -10.103 -6.028 -5.340 473 HD22 ASN 69 2HD2 ASN 69 -11.757 -6.523 -5.290 474 H VAL 70 H VAL 70 -8.449 -5.797 -3.836 475 HA VAL 70 HA VAL 70 -6.616 -6.679 -5.971 476 HB VAL 70 HB VAL 70 -6.185 -6.981 -2.995 477 HG11 VAL 70 1HG1 VAL 70 -4.447 -7.759 -5.335 478 HG12 VAL 70 2HG1 VAL 70 -3.978 -7.850 -3.636 479 HG13 VAL 70 3HG1 VAL 70 -5.289 -8.861 -4.246 480 HG21 VAL 70 3HG2 VAL 70 -4.085 -5.546 -3.818 481 HG22 VAL 70 1HG2 VAL 70 -5.285 -4.979 -4.980 482 HG23 VAL 70 2HG2 VAL 70 -5.582 -4.807 -3.250 483 H THR 71 H THR 71 -6.950 -8.669 -6.716 484 HA THR 71 HA THR 71 -8.325 -10.628 -5.018 485 HB THR 71 HB THR 71 -9.059 -10.560 -7.908 486 HG1 THR 71 1HG THR 71 -9.405 -8.404 -7.190 487 HG21 THR 71 3HG2 THR 71 -11.129 -11.500 -7.091 488 HG22 THR 71 1HG2 THR 71 -10.654 -11.191 -5.422 489 HG23 THR 71 2HG2 THR 71 -9.778 -12.383 -6.381 490 H TYR 72 H TYR 72 -7.727 -12.746 -5.334 491 HA TYR 72 HA TYR 72 -5.832 -13.340 -7.487 492 HB2 TYR 72 1HB TYR 72 -4.337 -14.506 -5.903 493 HB3 TYR 72 2HB TYR 72 -4.443 -12.781 -5.567 494 HD1 TYR 72 1HD TYR 72 -5.951 -16.032 -4.525 495 HD2 TYR 72 2HD TYR 72 -4.872 -12.074 -3.400 496 HE1 TYR 72 1HE TYR 72 -6.573 -16.531 -2.198 497 HE2 TYR 72 2HE TYR 72 -5.489 -12.562 -1.069 498 HH TYR 72 HH TYR 72 -7.218 -14.375 0.034 499 H VAL 73 H VAL 73 -5.280 -15.810 -7.355 500 HA VAL 73 HA VAL 73 -7.644 -17.351 -6.558 501 HB VAL 73 HB VAL 73 -6.371 -17.482 -9.295 502 HG11 VAL 73 1HG1 VAL 73 -8.662 -19.095 -8.178 503 HG12 VAL 73 2HG1 VAL 73 -7.994 -19.203 -9.807 504 HG13 VAL 73 3HG1 VAL 73 -7.022 -19.694 -8.420 505 HG21 VAL 73 3HG2 VAL 73 -8.815 -16.205 -8.220 506 HG22 VAL 73 1HG2 VAL 73 -7.786 -15.732 -9.572 507 HG23 VAL 73 2HG2 VAL 73 -8.965 -17.029 -9.772 508 H VAL 74 H VAL 74 -7.176 -19.275 -5.671 509 HA VAL 74 HA VAL 74 -4.382 -20.202 -5.830 510 HB VAL 74 HB VAL 74 -4.739 -21.274 -3.639 511 HG11 VAL 74 1HG1 VAL 74 -4.801 -19.196 -2.293 512 HG12 VAL 74 2HG1 VAL 74 -3.722 -19.088 -3.686 513 HG13 VAL 74 3HG1 VAL 74 -5.307 -18.314 -3.734 514 HG21 VAL 74 3HG2 VAL 74 -6.822 -20.266 -2.389 515 HG22 VAL 74 1HG2 VAL 74 -7.478 -20.169 -4.023 516 HG23 VAL 74 2HG2 VAL 74 -6.972 -21.726 -3.368 517 H LYS 75 H LYS 75 -4.114 -21.997 -6.963 518 HA LYS 75 HA LYS 75 -6.382 -23.738 -7.503 519 HB2 LYS 75 1HB LYS 75 -4.490 -22.896 -9.158 520 HB3 LYS 75 2HB LYS 75 -3.642 -24.307 -8.540 521 HG2 LYS 75 1HG LYS 75 -4.712 -25.061 -10.468 522 HG3 LYS 75 2HG LYS 75 -5.740 -25.623 -9.148 523 HD2 LYS 75 1HD LYS 75 -7.000 -23.375 -9.540 524 HD3 LYS 75 2HD LYS 75 -6.212 -23.422 -11.119 525 HE2 LYS 75 1HE LYS 75 -7.797 -25.732 -10.023 526 HE3 LYS 75 2HE LYS 75 -8.533 -24.440 -10.969 527 HZ1 LYS 75 3HZ LYS 75 -7.891 -26.409 -12.293 528 HZ2 LYS 75 1HZ LYS 75 -6.269 -26.110 -11.915 529 HZ3 LYS 75 2HZ LYS 75 -7.148 -24.983 -12.820 530 H GLU 76 H GLU 76 -4.953 -23.577 -4.849 531 HA GLU 76 HA GLU 76 -4.854 -26.428 -4.394 532 HB2 GLU 76 1HB GLU 76 -2.521 -25.724 -5.125 533 HB3 GLU 76 2HB GLU 76 -2.434 -24.798 -3.633 534 HG2 GLU 76 1HG GLU 76 -2.303 -26.659 -2.316 535 HG3 GLU 76 2HG GLU 76 -3.166 -27.673 -3.472 536 H ARG 77 H ARG 77 -4.505 -26.907 -2.031 537 HA ARG 77 HA ARG 77 -5.586 -24.719 -0.379 538 HB2 ARG 77 1HB ARG 77 -6.777 -26.447 0.932 539 HB3 ARG 77 2HB ARG 77 -7.309 -26.382 -0.743 540 HG2 ARG 77 1HG ARG 77 -5.166 -28.310 -0.033 541 HG3 ARG 77 2HG ARG 77 -6.817 -28.666 0.476 542 HD2 ARG 77 1HD ARG 77 -7.605 -28.616 -1.768 543 HD3 ARG 77 2HD ARG 77 -6.082 -27.948 -2.353 544 HE ARG 77 HE ARG 77 -5.199 -30.064 -2.379 545 HH11 ARG 77 1HH1 ARG 77 -8.162 -30.073 -0.552 546 HH12 ARG 77 2HH1 ARG 77 -8.226 -31.799 -0.416 547 HH21 ARG 77 1HH2 ARG 77 -5.272 -32.337 -2.207 548 HH22 ARG 77 2HH2 ARG 77 -6.581 -33.086 -1.357 549 H GLY 78 H GLY 78 -4.722 -24.411 1.638 550 HA2 GLY 78 1HA GLY 78 -3.336 -26.038 3.286 551 HA3 GLY 78 2HA GLY 78 -2.123 -25.599 2.092 552 H ASP 79 H ASP 79 -1.074 -24.727 4.075 553 HA ASP 79 HA ASP 79 -2.193 -22.365 5.269 554 HB2 ASP 79 1HB ASP 79 0.674 -23.287 5.463 555 HB3 ASP 79 2HB ASP 79 -0.224 -22.295 6.608 556 H TYR 80 H TYR 80 -2.468 -20.746 3.809 557 HA TYR 80 HA TYR 80 -0.299 -20.027 2.008 558 HB2 TYR 80 1HB TYR 80 -3.175 -19.264 2.281 559 HB3 TYR 80 2HB TYR 80 -2.086 -18.160 1.447 560 HD1 TYR 80 1HD TYR 80 -3.644 -21.487 1.358 561 HD2 TYR 80 2HD TYR 80 -1.172 -18.712 -0.713 562 HE1 TYR 80 1HE TYR 80 -3.881 -22.819 -0.697 563 HE2 TYR 80 2HE TYR 80 -1.402 -20.035 -2.774 564 HH TYR 80 HH TYR 80 -2.496 -21.727 -3.762 565 H VAL 81 H VAL 81 0.237 -17.662 1.797 566 HA VAL 81 HA VAL 81 0.161 -16.246 4.366 567 HB VAL 81 HB VAL 81 2.672 -16.675 2.741 568 HG11 VAL 81 1HG1 VAL 81 2.421 -14.413 3.790 569 HG12 VAL 81 2HG1 VAL 81 2.377 -15.218 5.360 570 HG13 VAL 81 3HG1 VAL 81 3.816 -15.337 4.347 571 HG21 VAL 81 3HG2 VAL 81 1.526 -18.015 5.090 572 HG22 VAL 81 1HG2 VAL 81 2.712 -18.590 3.919 573 HG23 VAL 81 2HG2 VAL 81 3.220 -17.552 5.250 574 H LEU 82 H LEU 82 -0.536 -14.240 4.082 575 HA LEU 82 HA LEU 82 -0.301 -13.029 1.415 576 HB2 LEU 82 1HB LEU 82 -2.570 -13.223 2.141 577 HB3 LEU 82 2HB LEU 82 -2.186 -12.499 3.701 578 HG LEU 82 HG LEU 82 -1.756 -10.352 2.577 579 HD11 LEU 82 1HD1 LEU 82 -2.338 -11.993 0.155 580 HD12 LEU 82 2HD1 LEU 82 -1.089 -10.777 0.419 581 HD13 LEU 82 3HD1 LEU 82 -2.763 -10.281 0.171 582 HD21 LEU 82 3HD2 LEU 82 -4.217 -10.120 1.694 583 HD22 LEU 82 1HD2 LEU 82 -3.892 -10.376 3.408 584 HD23 LEU 82 2HD2 LEU 82 -4.392 -11.730 2.393 585 H ALA 83 H ALA 83 1.091 -11.425 1.130 586 HA ALA 83 HA ALA 83 2.052 -9.962 3.501 587 HB1 ALA 83 3HB ALA 83 3.539 -10.273 0.904 588 HB2 ALA 83 1HB ALA 83 4.159 -9.689 2.448 589 HB3 ALA 83 2HB ALA 83 3.717 -11.386 2.260 590 H VAL 84 H VAL 84 0.995 -8.080 3.611 591 HA VAL 84 HA VAL 84 0.624 -6.539 1.127 592 HB VAL 84 HB VAL 84 -0.914 -6.270 3.714 593 HG11 VAL 84 1HG1 VAL 84 -1.644 -4.335 2.912 594 HG12 VAL 84 2HG1 VAL 84 -0.614 -4.524 1.491 595 HG13 VAL 84 3HG1 VAL 84 -2.260 -5.158 1.479 596 HG21 VAL 84 3HG2 VAL 84 -2.319 -7.159 1.297 597 HG22 VAL 84 1HG2 VAL 84 -1.149 -8.315 1.934 598 HG23 VAL 84 2HG2 VAL 84 -2.454 -7.724 2.962 599 H LYS 85 H LYS 85 1.829 -4.784 0.894 600 HA LYS 85 HA LYS 85 3.025 -3.570 3.297 601 HB2 LYS 85 1HB LYS 85 4.014 -3.823 0.467 602 HB3 LYS 85 2HB LYS 85 4.678 -2.616 1.560 603 HG2 LYS 85 1HG LYS 85 5.284 -4.421 3.131 604 HG3 LYS 85 2HG LYS 85 4.702 -5.601 1.954 605 HD2 LYS 85 1HD LYS 85 6.956 -5.562 1.480 606 HD3 LYS 85 2HD LYS 85 6.344 -4.362 0.340 607 HE2 LYS 85 1HE LYS 85 7.067 -2.567 1.701 608 HE3 LYS 85 2HE LYS 85 7.366 -3.633 3.073 609 HZ1 LYS 85 3HZ LYS 85 9.377 -2.874 1.791 610 HZ2 LYS 85 1HZ LYS 85 8.857 -3.869 0.526 611 HZ3 LYS 85 2HZ LYS 85 9.245 -4.544 2.027 612 H TRP 86 H TRP 86 3.257 -1.260 3.339 613 HA TRP 86 HA TRP 86 1.363 0.160 1.587 614 HB2 TRP 86 1HB TRP 86 0.287 -0.053 3.727 615 HB3 TRP 86 2HB TRP 86 1.741 0.475 4.569 616 HD1 TRP 86 HD TRP 86 1.371 2.820 5.500 617 HE1 TRP 86 1HE TRP 86 0.246 4.984 4.678 618 HE3 TRP 86 3HE TRP 86 -0.407 1.155 1.005 619 HZ2 TRP 86 2HZ TRP 86 -1.203 5.869 2.423 620 HZ3 TRP 86 3HZ TRP 86 -1.652 2.723 -0.425 621 HH2 TRP 86 HH TRP 86 -2.041 5.031 0.272 622 H GLY 87 H GLY 87 3.142 0.796 0.278 623 HA2 GLY 87 1HA GLY 87 4.887 2.147 -0.366 624 HA3 GLY 87 2HA GLY 87 4.167 3.311 0.736 625 H GLU 88 H GLU 88 6.422 0.588 0.567 626 HA GLU 88 HA GLU 88 8.329 0.122 1.717 627 HB2 GLU 88 1HB GLU 88 8.124 3.087 2.189 628 HB3 GLU 88 2HB GLU 88 9.437 2.136 2.870 629 HG2 GLU 88 1HG GLU 88 9.708 1.327 0.389 630 HG3 GLU 88 2HG GLU 88 8.871 2.838 0.038 631 H GLU 89 H GLU 89 5.906 -0.471 2.976 632 HA GLU 89 HA GLU 89 6.792 -0.671 5.702 633 HB2 GLU 89 1HB GLU 89 4.400 1.020 4.989 634 HB3 GLU 89 2HB GLU 89 4.606 0.307 6.583 635 HG2 GLU 89 1HG GLU 89 6.965 1.488 6.405 636 HG3 GLU 89 2HG GLU 89 6.082 2.528 5.289 637 H HIS 90 H HIS 90 4.931 -1.751 7.045 638 HA HIS 90 HA HIS 90 3.499 -3.666 5.331 639 HB2 HIS 90 1HB HIS 90 5.312 -4.215 7.658 640 HB3 HIS 90 2HB HIS 90 3.990 -5.319 7.293 641 HD1 HIS 90 1HD HIS 90 4.698 -7.200 5.872 642 HD2 HIS 90 2HD HIS 90 6.923 -3.777 5.102 643 HE1 HIS 90 1HE HIS 90 6.359 -7.862 4.104 644 H ILE 91 H ILE 91 1.393 -3.513 5.675 645 HA ILE 91 HA ILE 91 0.146 -2.023 7.635 646 HB ILE 91 HB ILE 91 -1.919 -3.144 7.064 647 HG12 ILE 91 1HG1 ILE 91 -0.483 -5.095 5.306 648 HG13 ILE 91 2HG1 ILE 91 -0.642 -5.449 7.023 649 HG21 ILE 91 1HG2 ILE 91 -0.075 -2.715 4.723 650 HG22 ILE 91 2HG2 ILE 91 -1.817 -2.936 4.572 651 HG23 ILE 91 3HG2 ILE 91 -1.177 -1.550 5.455 652 HD11 ILE 91 3HD1 ILE 91 -2.429 -6.194 5.177 653 HD12 ILE 91 1HD1 ILE 91 -2.843 -5.878 6.861 654 HD13 ILE 91 2HD1 ILE 91 -3.109 -4.635 5.639 655 HA PRO 92 HA PRO 92 0.286 -4.350 11.359 656 HB2 PRO 92 1HB PRO 92 -2.041 -3.566 12.518 657 HB3 PRO 92 2HB PRO 92 -0.629 -2.510 12.387 658 HG2 PRO 92 1HG PRO 92 -3.083 -2.611 10.676 659 HG3 PRO 92 2HG PRO 92 -2.217 -1.199 11.308 660 HD2 PRO 92 1HD PRO 92 -1.919 -2.072 8.762 661 HD3 PRO 92 2HD PRO 92 -0.602 -1.298 9.666 662 H GLY 93 H GLY 93 0.117 -6.508 10.843 663 HA2 GLY 93 1HA GLY 93 -1.657 -8.208 11.692 664 HA3 GLY 93 2HA GLY 93 -2.563 -7.593 10.317 665 H SER 94 H SER 94 0.233 -7.307 8.996 666 HA SER 94 HA SER 94 0.198 -10.002 7.865 667 HB2 SER 94 1HB SER 94 0.206 -8.588 6.060 668 HB3 SER 94 2HB SER 94 1.086 -7.323 6.918 669 HG SER 94 HG SER 94 2.936 -8.195 6.339 670 HA PRO 95 HA PRO 95 1.708 -10.980 6.336 671 HB2 PRO 95 1HB PRO 95 2.482 -13.556 6.701 672 HB3 PRO 95 2HB PRO 95 3.548 -12.320 6.023 673 HG2 PRO 95 1HG PRO 95 3.415 -13.379 8.819 674 HG3 PRO 95 2HG PRO 95 4.839 -13.024 7.824 675 HD2 PRO 95 1HD PRO 95 3.949 -11.339 9.748 676 HD3 PRO 95 2HD PRO 95 4.740 -10.764 8.266 677 H PHE 96 H PHE 96 -0.294 -11.798 6.070 678 HA PHE 96 HA PHE 96 -1.760 -12.619 8.434 679 HB2 PHE 96 1HB PHE 96 -2.569 -11.993 5.599 680 HB3 PHE 96 2HB PHE 96 -3.703 -12.664 6.767 681 HD1 PHE 96 2HD PHE 96 -1.338 -9.830 6.300 682 HD2 PHE 96 1HD PHE 96 -4.904 -11.248 8.142 683 HE1 PHE 96 2HE PHE 96 -1.799 -7.565 7.143 684 HE2 PHE 96 1HE PHE 96 -5.371 -8.985 8.988 685 HZ PHE 96 HZ PHE 96 -3.817 -7.141 8.490 686 H HIS 97 H HIS 97 -2.794 -14.589 8.713 687 HA HIS 97 HA HIS 97 -1.643 -16.791 7.170 688 HB2 HIS 97 1HB HIS 97 -1.405 -16.979 9.571 689 HB3 HIS 97 2HB HIS 97 -3.136 -16.749 9.800 690 HD1 HIS 97 1HD HIS 97 -4.075 -18.907 10.540 691 HD2 HIS 97 2HD HIS 97 -1.234 -19.409 7.550 692 HE1 HIS 97 1HE HIS 97 -4.048 -21.372 10.045 693 H VAL 98 H VAL 98 -2.788 -17.332 5.427 694 HA VAL 98 HA VAL 98 -5.725 -17.328 5.606 695 HB VAL 98 HB VAL 98 -3.946 -17.273 3.165 696 HG11 VAL 98 1HG1 VAL 98 -6.458 -18.356 3.320 697 HG12 VAL 98 2HG1 VAL 98 -6.787 -16.698 2.815 698 HG13 VAL 98 3HG1 VAL 98 -5.708 -17.715 1.859 699 HG21 VAL 98 3HG2 VAL 98 -3.952 -15.067 3.425 700 HG22 VAL 98 1HG2 VAL 98 -5.709 -15.076 3.267 701 HG23 VAL 98 2HG2 VAL 98 -4.966 -15.210 4.861 702 H THR 99 H THR 99 -6.584 -19.253 5.991 703 HA THR 99 HA THR 99 -5.172 -21.664 5.100 704 HB THR 99 HB THR 99 -7.462 -21.386 7.057 705 HG1 THR 99 1HG THR 99 -5.475 -22.262 8.364 706 HG21 THR 99 3HG2 THR 99 -5.746 -23.813 6.570 707 HG22 THR 99 1HG2 THR 99 -7.293 -23.563 5.762 708 HG23 THR 99 2HG2 THR 99 -7.228 -23.698 7.519 709 H VAL 100 H VAL 100 -6.016 -23.058 3.645 710 HA VAL 100 HA VAL 100 -8.681 -22.419 2.555 711 HB VAL 100 HB VAL 100 -6.296 -23.515 1.057 712 HG11 VAL 100 1HG1 VAL 100 -8.946 -22.655 -0.081 713 HG12 VAL 100 2HG1 VAL 100 -7.632 -23.503 -0.899 714 HG13 VAL 100 3HG1 VAL 100 -8.578 -24.327 0.341 715 HG21 VAL 100 3HG2 VAL 100 -7.372 -20.797 1.458 716 HG22 VAL 100 1HG2 VAL 100 -5.729 -21.329 1.099 717 HG23 VAL 100 2HG2 VAL 100 -6.923 -21.217 -0.195 718 HA PRO 101 HA PRO 101 -9.679 -26.551 3.838 719 HB2 PRO 101 1HB PRO 101 -12.142 -26.638 2.701 720 HB3 PRO 101 2HB PRO 101 -11.804 -25.753 4.194 721 HG2 PRO 101 1HG PRO 101 -12.028 -24.724 1.391 722 HG3 PRO 101 2HG PRO 101 -12.673 -24.034 2.891 723 HD2 PRO 101 1HD PRO 101 -10.409 -23.118 1.721 724 HD3 PRO 101 2HD PRO 101 -10.649 -23.101 3.480 Start of MODEL 12 1 H1 GLY 1 H GLY 1 6.714 9.858 -0.216 2 HA2 GLY 1 1HA GLY 1 8.655 11.696 -1.065 3 HA3 GLY 1 2HA GLY 1 7.317 12.060 0.014 4 H SER 2 H SER 2 10.451 12.477 -0.182 5 HA SER 2 HA SER 2 11.329 11.476 2.372 6 HB2 SER 2 1HB SER 2 13.411 12.725 1.876 7 HB3 SER 2 2HB SER 2 12.933 11.674 0.543 8 HG SER 2 HG SER 2 12.529 14.477 0.736 9 H SER 3 H SER 3 10.948 12.405 4.261 10 HA SER 3 HA SER 3 10.094 13.919 5.764 11 HB2 SER 3 1HB SER 3 12.124 15.691 4.385 12 HB3 SER 3 2HB SER 3 11.518 15.873 6.031 13 HG SER 3 HG SER 3 13.574 14.428 5.204 14 H GLY 4 H GLY 4 8.415 13.777 3.564 15 HA2 GLY 4 1HA GLY 4 7.750 16.574 2.942 16 HA3 GLY 4 2HA GLY 4 7.170 15.166 2.064 17 H SER 5 H SER 5 6.171 17.558 3.996 18 HA SER 5 HA SER 5 4.707 16.582 6.072 19 HB2 SER 5 1HB SER 5 4.785 18.964 5.507 20 HB3 SER 5 2HB SER 5 3.799 18.671 4.074 21 HG SER 5 HG SER 5 2.826 19.369 6.268 22 H SER 6 H SER 6 3.478 16.874 2.735 23 HA SER 6 HA SER 6 1.038 15.597 3.154 24 HB2 SER 6 1HB SER 6 1.100 15.153 0.674 25 HB3 SER 6 2HB SER 6 1.399 16.832 1.124 26 HG SER 6 HG SER 6 3.427 16.662 0.488 27 H GLY 7 H GLY 7 4.173 14.251 2.183 28 HA2 GLY 7 1HA GLY 7 3.237 11.584 1.871 29 HA3 GLY 7 2HA GLY 7 4.915 12.078 2.042 30 H SER 8 H SER 8 5.613 10.581 3.485 31 HA SER 8 HA SER 8 5.955 9.561 5.489 32 HB2 SER 8 1HB SER 8 4.348 11.876 6.597 33 HB3 SER 8 2HB SER 8 5.403 10.807 7.521 34 HG SER 8 HG SER 8 7.117 11.807 6.752 35 H SER 9 H SER 9 3.695 8.787 3.898 36 HA SER 9 HA SER 9 1.321 8.448 5.301 37 HB2 SER 9 1HB SER 9 2.440 6.368 3.423 38 HB3 SER 9 2HB SER 9 0.750 6.786 3.705 39 HG SER 9 HG SER 9 1.133 7.903 1.927 40 H ASP 10 H ASP 10 0.505 6.855 6.637 41 HA ASP 10 HA ASP 10 2.528 5.128 7.902 42 HB2 ASP 10 1HB ASP 10 1.416 6.942 9.299 43 HB3 ASP 10 2HB ASP 10 -0.072 6.012 9.151 44 H ALA 11 H ALA 11 2.071 2.978 8.291 45 HA ALA 11 HA ALA 11 -0.017 1.842 6.615 46 HB1 ALA 11 3HB ALA 11 1.727 0.081 8.229 47 HB2 ALA 11 1HB ALA 11 1.219 -0.055 6.545 48 HB3 ALA 11 2HB ALA 11 2.510 1.062 6.990 49 H SER 12 H SER 12 0.841 2.098 10.016 50 HA SER 12 HA SER 12 -0.828 0.257 11.179 51 HB2 SER 12 1HB SER 12 -0.070 3.032 12.099 52 HB3 SER 12 2HB SER 12 -0.978 1.907 13.109 53 HG SER 12 HG SER 12 1.664 2.003 12.645 54 H LYS 13 H LYS 13 -1.669 3.254 9.630 55 HA LYS 13 HA LYS 13 -4.375 3.275 10.647 56 HB2 LYS 13 1HB LYS 13 -3.136 4.919 8.433 57 HB3 LYS 13 2HB LYS 13 -4.683 5.226 9.211 58 HG2 LYS 13 1HG LYS 13 -1.994 5.319 10.564 59 HG3 LYS 13 2HG LYS 13 -2.933 6.716 10.034 60 HD2 LYS 13 1HD LYS 13 -4.795 5.835 11.527 61 HD3 LYS 13 2HD LYS 13 -3.589 4.742 12.208 62 HE2 LYS 13 1HE LYS 13 -2.190 6.725 12.751 63 HE3 LYS 13 2HE LYS 13 -3.508 7.757 12.197 64 HZ1 LYS 13 3HZ LYS 13 -3.388 7.336 14.658 65 HZ2 LYS 13 1HZ LYS 13 -3.857 5.742 14.339 66 HZ3 LYS 13 2HZ LYS 13 -4.885 7.023 13.937 67 H VAL 14 H VAL 14 -2.695 2.296 7.725 68 HA VAL 14 HA VAL 14 -4.833 1.981 5.983 69 HB VAL 14 HB VAL 14 -2.328 0.311 6.218 70 HG11 VAL 14 1HG1 VAL 14 -4.509 0.343 4.160 71 HG12 VAL 14 2HG1 VAL 14 -2.864 -0.144 3.748 72 HG13 VAL 14 3HG1 VAL 14 -3.769 -1.036 4.971 73 HG21 VAL 14 3HG2 VAL 14 -3.052 2.746 4.606 74 HG22 VAL 14 1HG2 VAL 14 -1.735 2.553 5.763 75 HG23 VAL 14 2HG2 VAL 14 -1.677 1.714 4.212 76 H THR 15 H THR 15 -6.554 0.700 5.969 77 HA THR 15 HA THR 15 -6.532 -1.693 7.690 78 HB THR 15 HB THR 15 -8.983 -1.453 7.862 79 HG1 THR 15 1HG THR 15 -8.457 0.736 6.169 80 HG21 THR 15 3HG2 THR 15 -7.010 0.322 8.992 81 HG22 THR 15 1HG2 THR 15 -8.428 -0.401 9.750 82 HG23 THR 15 2HG2 THR 15 -8.577 1.123 8.875 83 H SER 16 H SER 16 -7.745 -3.534 6.958 84 HA SER 16 HA SER 16 -8.347 -3.587 4.088 85 HB2 SER 16 1HB SER 16 -7.146 -5.688 3.793 86 HB3 SER 16 2HB SER 16 -6.043 -4.455 4.403 87 HG SER 16 HG SER 16 -6.875 -5.484 6.555 88 H LYS 17 H LYS 17 -10.196 -4.599 3.628 89 HA LYS 17 HA LYS 17 -11.363 -6.364 5.680 90 HB2 LYS 17 1HB LYS 17 -13.599 -5.543 4.869 91 HB3 LYS 17 2HB LYS 17 -12.632 -4.345 5.720 92 HG2 LYS 17 1HG LYS 17 -13.356 -3.099 3.957 93 HG3 LYS 17 2HG LYS 17 -11.848 -3.728 3.288 94 HD2 LYS 17 1HD LYS 17 -13.260 -4.218 1.561 95 HD3 LYS 17 2HD LYS 17 -13.443 -5.695 2.510 96 HE2 LYS 17 1HE LYS 17 -15.381 -4.410 3.661 97 HE3 LYS 17 2HE LYS 17 -15.312 -3.373 2.237 98 HZ1 LYS 17 3HZ LYS 17 -16.488 -5.922 2.508 99 HZ2 LYS 17 1HZ LYS 17 -15.281 -5.992 1.325 100 HZ3 LYS 17 2HZ LYS 17 -16.537 -4.868 1.186 101 H GLY 18 H GLY 18 -12.712 -8.074 4.917 102 HA2 GLY 18 1HA GLY 18 -13.682 -8.988 2.728 103 HA3 GLY 18 2HA GLY 18 -12.017 -8.896 2.172 104 H ALA 19 H ALA 19 -13.174 -11.285 1.982 105 HA ALA 19 HA ALA 19 -12.669 -12.864 4.359 106 HB1 ALA 19 3HB ALA 19 -14.488 -13.740 3.286 107 HB2 ALA 19 1HB ALA 19 -13.853 -13.380 1.680 108 HB3 ALA 19 2HB ALA 19 -13.214 -14.745 2.596 109 H GLY 20 H GLY 20 -11.349 -12.625 1.060 110 HA2 GLY 20 1HA GLY 20 -9.470 -14.562 0.991 111 HA3 GLY 20 2HA GLY 20 -9.171 -12.954 0.349 112 H LEU 21 H LEU 21 -9.351 -11.705 3.006 113 HA LEU 21 HA LEU 21 -6.602 -12.028 3.746 114 HB2 LEU 21 1HB LEU 21 -8.731 -10.480 5.207 115 HB3 LEU 21 2HB LEU 21 -6.986 -10.260 5.311 116 HG LEU 21 HG LEU 21 -8.428 -9.819 2.721 117 HD11 LEU 21 1HD1 LEU 21 -9.656 -8.443 4.227 118 HD12 LEU 21 2HD1 LEU 21 -8.524 -7.403 3.362 119 HD13 LEU 21 3HD1 LEU 21 -8.180 -7.893 5.021 120 HD21 LEU 21 3HD2 LEU 21 -6.538 -8.187 2.458 121 HD22 LEU 21 1HD2 LEU 21 -6.060 -9.883 2.535 122 HD23 LEU 21 2HD2 LEU 21 -5.855 -8.845 3.946 123 H SER 22 H SER 22 -9.711 -12.960 5.109 124 HA SER 22 HA SER 22 -8.507 -14.025 7.514 125 HB2 SER 22 1HB SER 22 -10.812 -12.969 7.415 126 HB3 SER 22 2HB SER 22 -11.350 -14.419 6.568 127 HG SER 22 HG SER 22 -11.675 -15.088 8.548 128 H LYS 23 H LYS 23 -10.346 -15.391 4.783 129 HA LYS 23 HA LYS 23 -8.664 -17.744 4.788 130 HB2 LYS 23 1HB LYS 23 -10.408 -19.350 5.155 131 HB3 LYS 23 2HB LYS 23 -10.417 -18.221 6.505 132 HG2 LYS 23 1HG LYS 23 -12.331 -17.079 5.603 133 HG3 LYS 23 2HG LYS 23 -12.278 -18.068 4.142 134 HD2 LYS 23 1HD LYS 23 -13.957 -19.049 5.447 135 HD3 LYS 23 2HD LYS 23 -12.544 -20.073 5.715 136 HE2 LYS 23 1HE LYS 23 -12.089 -18.664 7.770 137 HE3 LYS 23 2HE LYS 23 -13.695 -17.975 7.540 138 HZ1 LYS 23 3HZ LYS 23 -13.878 -19.756 9.077 139 HZ2 LYS 23 1HZ LYS 23 -13.020 -20.814 8.073 140 HZ3 LYS 23 2HZ LYS 23 -14.565 -20.290 7.626 141 H ALA 24 H ALA 24 -8.832 -18.974 2.881 142 HA ALA 24 HA ALA 24 -10.537 -17.812 0.779 143 HB1 ALA 24 3HB ALA 24 -7.991 -18.911 -0.157 144 HB2 ALA 24 1HB ALA 24 -8.817 -17.417 -0.600 145 HB3 ALA 24 2HB ALA 24 -7.832 -17.480 0.862 146 H PHE 25 H PHE 25 -10.780 -19.296 -1.122 147 HA PHE 25 HA PHE 25 -10.690 -22.124 -0.318 148 HB2 PHE 25 1HB PHE 25 -12.978 -20.984 -1.907 149 HB3 PHE 25 2HB PHE 25 -12.895 -22.521 -1.054 150 HD1 PHE 25 1HD PHE 25 -12.485 -22.279 1.556 151 HD2 PHE 25 2HD PHE 25 -14.179 -19.284 -0.950 152 HE1 PHE 25 1HE PHE 25 -13.556 -21.249 3.517 153 HE2 PHE 25 2HE PHE 25 -15.251 -18.249 1.007 154 HZ PHE 25 HZ PHE 25 -14.940 -19.231 3.245 155 H VAL 26 H VAL 26 -9.943 -23.500 -1.823 156 HA VAL 26 HA VAL 26 -8.491 -22.707 -4.007 157 HB VAL 26 HB VAL 26 -9.962 -25.332 -3.731 158 HG11 VAL 26 1HG1 VAL 26 -7.377 -25.231 -5.121 159 HG12 VAL 26 2HG1 VAL 26 -8.849 -26.119 -5.519 160 HG13 VAL 26 3HG1 VAL 26 -8.702 -24.416 -5.952 161 HG21 VAL 26 3HG2 VAL 26 -8.632 -25.651 -1.969 162 HG22 VAL 26 1HG2 VAL 26 -7.290 -25.713 -3.111 163 HG23 VAL 26 2HG2 VAL 26 -7.701 -24.194 -2.315 164 H GLY 27 H GLY 27 -8.889 -22.132 -6.064 165 HA2 GLY 27 1HA GLY 27 -10.039 -21.942 -8.078 166 HA3 GLY 27 2HA GLY 27 -11.380 -22.827 -7.365 167 H GLN 28 H GLN 28 -12.141 -21.358 -5.258 168 HA GLN 28 HA GLN 28 -13.675 -19.322 -6.361 169 HB2 GLN 28 1HB GLN 28 -12.818 -19.637 -3.479 170 HB3 GLN 28 2HB GLN 28 -14.158 -18.648 -4.046 171 HG2 GLN 28 1HG GLN 28 -15.122 -20.793 -5.013 172 HG3 GLN 28 2HG GLN 28 -13.920 -21.636 -4.038 173 HE21 GLN 28 1HE2 GLN 28 -15.280 -22.613 -2.628 174 HE22 GLN 28 2HE2 GLN 28 -16.280 -21.764 -1.504 175 H LYS 29 H LYS 29 -13.417 -17.178 -6.670 176 HA LYS 29 HA LYS 29 -10.738 -16.113 -6.497 177 HB2 LYS 29 1HB LYS 29 -12.586 -15.754 -8.348 178 HB3 LYS 29 2HB LYS 29 -13.091 -14.446 -7.285 179 HG2 LYS 29 1HG LYS 29 -10.596 -13.748 -7.376 180 HG3 LYS 29 2HG LYS 29 -10.550 -14.761 -8.821 181 HD2 LYS 29 1HD LYS 29 -12.701 -12.706 -8.506 182 HD3 LYS 29 2HD LYS 29 -11.088 -12.218 -9.031 183 HE2 LYS 29 1HE LYS 29 -11.252 -13.335 -11.026 184 HE3 LYS 29 2HE LYS 29 -12.382 -14.528 -10.388 185 HZ1 LYS 29 3HZ LYS 29 -13.078 -12.491 -11.978 186 HZ2 LYS 29 1HZ LYS 29 -13.383 -11.816 -10.457 187 HZ3 LYS 29 2HZ LYS 29 -14.138 -13.261 -10.908 188 H SER 30 H SER 30 -10.069 -15.468 -4.546 189 HA SER 30 HA SER 30 -11.921 -14.219 -2.685 190 HB2 SER 30 1HB SER 30 -9.145 -15.316 -2.507 191 HB3 SER 30 2HB SER 30 -9.663 -14.130 -1.309 192 HG SER 30 HG SER 30 -11.623 -15.854 -1.516 193 H SER 31 H SER 31 -12.125 -12.099 -2.404 194 HA SER 31 HA SER 31 -10.031 -10.338 -3.503 195 HB2 SER 31 1HB SER 31 -11.615 -8.903 -4.401 196 HB3 SER 31 2HB SER 31 -12.409 -10.461 -4.627 197 HG SER 31 HG SER 31 -13.872 -9.932 -3.193 198 H PHE 32 H PHE 32 -9.882 -8.209 -2.472 199 HA PHE 32 HA PHE 32 -11.080 -7.803 0.102 200 HB2 PHE 32 1HB PHE 32 -8.996 -7.837 1.401 201 HB3 PHE 32 2HB PHE 32 -9.346 -9.422 0.718 202 HD1 PHE 32 2HD PHE 32 -8.021 -10.285 -1.156 203 HD2 PHE 32 1HD PHE 32 -7.072 -6.595 0.740 204 HE1 PHE 32 2HE PHE 32 -5.785 -10.338 -2.181 205 HE2 PHE 32 1HE PHE 32 -4.834 -6.641 -0.282 206 HZ PHE 32 HZ PHE 32 -4.188 -8.515 -1.744 207 H LEU 33 H LEU 33 -11.059 -5.686 0.665 208 HA LEU 33 HA LEU 33 -9.627 -3.867 -1.142 209 HB2 LEU 33 1HB LEU 33 -12.180 -3.822 -0.820 210 HB3 LEU 33 2HB LEU 33 -11.826 -3.074 0.737 211 HG LEU 33 HG LEU 33 -10.559 -1.301 -0.576 212 HD11 LEU 33 1HD1 LEU 33 -10.356 -2.548 -2.667 213 HD12 LEU 33 2HD1 LEU 33 -11.196 -1.017 -2.909 214 HD13 LEU 33 3HD1 LEU 33 -12.109 -2.525 -2.854 215 HD21 LEU 33 3HD2 LEU 33 -12.443 -0.336 0.170 216 HD22 LEU 33 1HD2 LEU 33 -13.450 -1.705 -0.300 217 HD23 LEU 33 2HD2 LEU 33 -12.987 -0.499 -1.500 218 H VAL 34 H VAL 34 -8.559 -2.016 -0.302 219 HA VAL 34 HA VAL 34 -7.941 -2.107 2.571 220 HB VAL 34 HB VAL 34 -5.889 -1.729 0.384 221 HG11 VAL 34 1HG1 VAL 34 -4.377 -1.126 1.943 222 HG12 VAL 34 2HG1 VAL 34 -5.808 -0.631 2.850 223 HG13 VAL 34 3HG1 VAL 34 -5.057 -2.195 3.169 224 HG21 VAL 34 3HG2 VAL 34 -6.175 -3.999 0.344 225 HG22 VAL 34 1HG2 VAL 34 -4.997 -3.867 1.650 226 HG23 VAL 34 2HG2 VAL 34 -6.708 -4.074 2.023 227 H ASP 35 H ASP 35 -8.695 -0.253 3.355 228 HA ASP 35 HA ASP 35 -8.875 2.127 1.745 229 HB2 ASP 35 1HB ASP 35 -10.654 1.772 3.293 230 HB3 ASP 35 2HB ASP 35 -9.532 1.532 4.630 231 H CYS 36 H CYS 36 -7.378 3.649 1.538 232 HA CYS 36 HA CYS 36 -5.240 3.792 3.561 233 HB2 CYS 36 1HB CYS 36 -5.025 4.377 0.600 234 HB3 CYS 36 2HB CYS 36 -3.719 4.510 1.772 235 HG CYS 36 HG CYS 36 -5.301 1.575 0.999 236 H SER 37 H SER 37 -7.788 5.243 3.472 237 HA SER 37 HA SER 37 -7.344 7.900 2.577 238 HB2 SER 37 1HB SER 37 -9.393 6.523 4.249 239 HB3 SER 37 2HB SER 37 -9.291 8.280 4.358 240 HG SER 37 HG SER 37 -10.735 7.402 2.698 241 H LYS 38 H LYS 38 -7.431 6.520 5.865 242 HA LYS 38 HA LYS 38 -6.418 8.889 7.084 243 HB2 LYS 38 1HB LYS 38 -6.782 6.059 8.053 244 HB3 LYS 38 2HB LYS 38 -6.076 7.309 9.068 245 HG2 LYS 38 1HG LYS 38 -8.231 7.502 9.729 246 HG3 LYS 38 2HG LYS 38 -8.280 8.601 8.348 247 HD2 LYS 38 1HD LYS 38 -10.165 7.232 8.083 248 HD3 LYS 38 2HD LYS 38 -8.969 6.560 6.973 249 HE2 LYS 38 1HE LYS 38 -9.842 4.682 8.035 250 HE3 LYS 38 2HE LYS 38 -8.350 4.997 8.919 251 HZ1 LYS 38 3HZ LYS 38 -11.131 5.511 9.769 252 HZ2 LYS 38 1HZ LYS 38 -9.831 6.312 10.498 253 HZ3 LYS 38 2HZ LYS 38 -9.929 4.625 10.564 254 H ALA 39 H ALA 39 -4.971 6.230 5.483 255 HA ALA 39 HA ALA 39 -2.466 6.144 6.760 256 HB1 ALA 39 3HB ALA 39 -2.176 5.587 3.974 257 HB2 ALA 39 1HB ALA 39 -2.173 4.468 5.338 258 HB3 ALA 39 2HB ALA 39 -3.693 4.896 4.551 259 H GLY 40 H GLY 40 -3.091 7.518 3.525 260 HA2 GLY 40 1HA GLY 40 -2.269 10.079 3.804 261 HA3 GLY 40 2HA GLY 40 -0.750 9.197 3.753 262 H SER 41 H SER 41 0.119 9.520 1.814 263 HA SER 41 HA SER 41 -1.558 8.993 -0.545 264 HB2 SER 41 1HB SER 41 -1.277 11.413 -0.374 265 HB3 SER 41 2HB SER 41 0.472 11.222 -0.253 266 HG SER 41 HG SER 41 -0.221 11.744 -2.384 267 H ASN 42 H ASN 42 -0.291 6.905 0.247 268 HA ASN 42 HA ASN 42 2.263 6.813 -1.220 269 HB2 ASN 42 1HB ASN 42 1.336 5.505 1.291 270 HB3 ASN 42 2HB ASN 42 2.418 4.587 0.248 271 HD21 ASN 42 1HD2 ASN 42 3.800 4.762 2.175 272 HD22 ASN 42 2HD2 ASN 42 4.813 6.153 2.330 273 H MET 43 H MET 43 2.653 4.230 -1.668 274 HA MET 43 HA MET 43 0.396 3.491 -3.396 275 HB2 MET 43 1HB MET 43 2.037 2.141 -4.645 276 HB3 MET 43 2HB MET 43 2.494 3.837 -4.575 277 HG2 MET 43 1HG MET 43 4.141 3.391 -2.900 278 HG3 MET 43 2HG MET 43 3.599 1.722 -2.747 279 HE1 MET 43 3HE MET 43 3.184 0.406 -4.853 280 HE2 MET 43 1HE MET 43 4.182 0.434 -6.307 281 HE3 MET 43 2HE MET 43 4.791 -0.323 -4.835 282 H LEU 44 H LEU 44 -0.102 1.199 -3.637 283 HA LEU 44 HA LEU 44 0.485 -0.346 -1.198 284 HB2 LEU 44 1HB LEU 44 -1.842 0.571 -1.322 285 HB3 LEU 44 2HB LEU 44 -2.091 -0.419 -2.759 286 HG LEU 44 HG LEU 44 -1.437 -2.388 -1.181 287 HD11 LEU 44 1HD1 LEU 44 -0.733 -1.008 0.699 288 HD12 LEU 44 2HD1 LEU 44 -2.105 -2.024 1.139 289 HD13 LEU 44 3HD1 LEU 44 -2.349 -0.310 0.804 290 HD21 LEU 44 3HD2 LEU 44 -3.925 -2.232 -0.286 291 HD22 LEU 44 1HD2 LEU 44 -3.563 -2.556 -1.981 292 HD23 LEU 44 2HD2 LEU 44 -4.006 -0.927 -1.471 293 H LEU 45 H LEU 45 1.783 -1.968 -1.745 294 HA LEU 45 HA LEU 45 1.249 -3.399 -4.265 295 HB2 LEU 45 1HB LEU 45 3.529 -3.830 -4.525 296 HB3 LEU 45 2HB LEU 45 3.443 -2.141 -4.030 297 HG LEU 45 HG LEU 45 5.287 -3.135 -2.903 298 HD11 LEU 45 1HD1 LEU 45 3.086 -3.100 -0.858 299 HD12 LEU 45 2HD1 LEU 45 3.701 -1.632 -1.618 300 HD13 LEU 45 3HD1 LEU 45 4.779 -2.645 -0.658 301 HD21 LEU 45 3HD2 LEU 45 4.047 -5.492 -3.145 302 HD22 LEU 45 1HD2 LEU 45 3.680 -5.150 -1.454 303 HD23 LEU 45 2HD2 LEU 45 5.357 -5.209 -1.997 304 H ILE 46 H ILE 46 1.943 -5.719 -4.219 305 HA ILE 46 HA ILE 46 1.522 -6.913 -1.559 306 HB ILE 46 HB ILE 46 0.402 -7.999 -4.144 307 HG12 ILE 46 1HG1 ILE 46 -0.697 -5.889 -3.355 308 HG13 ILE 46 2HG1 ILE 46 -1.768 -7.286 -3.386 309 HG21 ILE 46 1HG2 ILE 46 -0.955 -9.293 -2.274 310 HG22 ILE 46 2HG2 ILE 46 0.602 -9.872 -2.864 311 HG23 ILE 46 3HG2 ILE 46 0.511 -8.980 -1.346 312 HD11 ILE 46 3HD1 ILE 46 -2.269 -6.224 -1.384 313 HD12 ILE 46 1HD1 ILE 46 -1.191 -7.535 -0.906 314 HD13 ILE 46 2HD1 ILE 46 -0.575 -5.887 -1.028 315 H GLY 47 H GLY 47 2.641 -8.802 -1.106 316 HA2 GLY 47 1HA GLY 47 4.600 -9.649 -3.148 317 HA3 GLY 47 2HA GLY 47 5.063 -9.400 -1.471 318 H VAL 48 H VAL 48 2.397 -11.095 -3.130 319 HA VAL 48 HA VAL 48 1.884 -13.061 -1.327 320 HB VAL 48 HB VAL 48 1.154 -14.498 -3.169 321 HG11 VAL 48 1HG1 VAL 48 0.063 -12.170 -2.454 322 HG12 VAL 48 2HG1 VAL 48 0.375 -11.817 -4.154 323 HG13 VAL 48 3HG1 VAL 48 -0.626 -13.199 -3.708 324 HG21 VAL 48 3HG2 VAL 48 1.658 -14.127 -5.416 325 HG22 VAL 48 1HG2 VAL 48 2.209 -12.479 -5.118 326 HG23 VAL 48 2HG2 VAL 48 3.194 -13.846 -4.597 327 H HIS 49 H HIS 49 2.634 -15.131 -0.872 328 HA HIS 49 HA HIS 49 5.460 -15.491 -1.116 329 HB2 HIS 49 1HB HIS 49 5.145 -17.481 0.215 330 HB3 HIS 49 2HB HIS 49 4.143 -16.195 0.880 331 HD1 HIS 49 1HD HIS 49 1.527 -16.327 0.044 332 HD2 HIS 49 2HD HIS 49 3.804 -19.792 -0.227 333 HE1 HIS 49 1HE HIS 49 -0.131 -18.209 -0.144 334 H GLY 50 H GLY 50 6.513 -17.370 -2.030 335 HA2 GLY 50 1HA GLY 50 5.031 -18.931 -3.982 336 HA3 GLY 50 2HA GLY 50 6.217 -17.820 -4.652 337 HA PRO 51 HA PRO 51 8.867 -20.871 -2.044 338 HB2 PRO 51 1HB PRO 51 7.573 -22.818 -0.663 339 HB3 PRO 51 2HB PRO 51 7.912 -21.222 0.016 340 HG2 PRO 51 1HG PRO 51 5.379 -22.268 -1.189 341 HG3 PRO 51 2HG PRO 51 5.602 -21.289 0.273 342 HD2 PRO 51 1HD PRO 51 4.820 -20.222 -2.090 343 HD3 PRO 51 2HD PRO 51 5.813 -19.328 -0.920 344 H THR 52 H THR 52 5.891 -22.601 -2.995 345 HA THR 52 HA THR 52 7.492 -24.150 -4.911 346 HB THR 52 HB THR 52 7.256 -25.709 -3.153 347 HG1 THR 52 1HG THR 52 6.282 -26.210 -5.422 348 HG21 THR 52 3HG2 THR 52 4.298 -25.472 -2.961 349 HG22 THR 52 1HG2 THR 52 5.275 -24.231 -2.178 350 HG23 THR 52 2HG2 THR 52 5.477 -25.925 -1.731 351 H THR 53 H THR 53 4.114 -23.735 -3.830 352 HA THR 53 HA THR 53 3.335 -23.540 -6.665 353 HB THR 53 HB THR 53 1.587 -24.374 -4.343 354 HG1 THR 53 1HG THR 53 2.206 -26.362 -4.750 355 HG21 THR 53 3HG2 THR 53 -0.151 -24.318 -5.747 356 HG22 THR 53 1HG2 THR 53 0.754 -25.141 -7.016 357 HG23 THR 53 2HG2 THR 53 0.877 -23.391 -6.838 358 HA PRO 54 HA PRO 54 2.573 -19.323 -5.076 359 HB2 PRO 54 1HB PRO 54 2.893 -18.134 -7.495 360 HB3 PRO 54 2HB PRO 54 4.250 -18.547 -6.440 361 HG2 PRO 54 1HG PRO 54 3.180 -20.022 -8.815 362 HG3 PRO 54 2HG PRO 54 4.864 -19.703 -8.362 363 HD2 PRO 54 1HD PRO 54 3.658 -22.084 -7.903 364 HD3 PRO 54 2HD PRO 54 4.911 -21.425 -6.831 365 H CYS 55 H CYS 55 1.127 -17.555 -6.217 366 HA CYS 55 HA CYS 55 -1.448 -18.797 -6.610 367 HB2 CYS 55 1HB CYS 55 -0.800 -16.565 -5.336 368 HB3 CYS 55 2HB CYS 55 -1.039 -15.857 -6.929 369 HG CYS 55 HG CYS 55 -3.272 -16.564 -4.682 370 H GLU 56 H GLU 56 -2.847 -18.368 -8.404 371 HA GLU 56 HA GLU 56 -1.620 -18.727 -10.906 372 HB2 GLU 56 1HB GLU 56 -4.408 -18.184 -9.984 373 HB3 GLU 56 2HB GLU 56 -4.043 -18.028 -11.696 374 HG2 GLU 56 1HG GLU 56 -3.182 -20.498 -10.288 375 HG3 GLU 56 2HG GLU 56 -4.892 -20.292 -10.665 376 H GLU 57 H GLU 57 -3.024 -15.869 -9.367 377 HA GLU 57 HA GLU 57 -1.341 -14.085 -10.770 378 HB2 GLU 57 1HB GLU 57 -2.851 -13.013 -12.261 379 HB3 GLU 57 2HB GLU 57 -2.965 -14.737 -12.587 380 HG2 GLU 57 1HG GLU 57 -4.955 -14.628 -10.901 381 HG3 GLU 57 2HG GLU 57 -4.945 -12.914 -11.313 382 H VAL 58 H VAL 58 -2.208 -11.733 -10.487 383 HA VAL 58 HA VAL 58 -3.800 -11.470 -8.043 384 HB VAL 58 HB VAL 58 -1.104 -10.149 -8.381 385 HG11 VAL 58 1HG1 VAL 58 -1.752 -9.860 -5.778 386 HG12 VAL 58 2HG1 VAL 58 -2.097 -8.651 -7.017 387 HG13 VAL 58 3HG1 VAL 58 -3.353 -9.783 -6.514 388 HG21 VAL 58 3HG2 VAL 58 -1.893 -12.709 -7.230 389 HG22 VAL 58 1HG2 VAL 58 -0.294 -12.106 -7.666 390 HG23 VAL 58 2HG2 VAL 58 -0.999 -11.686 -6.105 391 H SER 59 H SER 59 -5.450 -10.299 -8.816 392 HA SER 59 HA SER 59 -4.982 -8.164 -10.732 393 HB2 SER 59 1HB SER 59 -7.362 -9.631 -9.713 394 HB3 SER 59 2HB SER 59 -7.615 -7.981 -10.280 395 HG SER 59 HG SER 59 -7.456 -8.698 -12.238 396 H MET 60 H MET 60 -4.305 -6.276 -9.962 397 HA MET 60 HA MET 60 -5.530 -5.263 -7.480 398 HB2 MET 60 1HB MET 60 -2.785 -4.583 -8.547 399 HB3 MET 60 2HB MET 60 -3.478 -4.061 -7.017 400 HG2 MET 60 1HG MET 60 -3.221 -6.127 -6.039 401 HG3 MET 60 2HG MET 60 -3.195 -6.972 -7.585 402 HE1 MET 60 3HE MET 60 -1.599 -3.924 -6.180 403 HE2 MET 60 1HE MET 60 -0.564 -4.823 -5.069 404 HE3 MET 60 2HE MET 60 0.127 -4.083 -6.513 405 H LYS 61 H LYS 61 -6.804 -3.567 -7.763 406 HA LYS 61 HA LYS 61 -6.122 -1.571 -9.791 407 HB2 LYS 61 1HB LYS 61 -8.623 -3.201 -9.682 408 HB3 LYS 61 2HB LYS 61 -8.731 -1.526 -10.207 409 HG2 LYS 61 1HG LYS 61 -6.877 -3.548 -11.442 410 HG3 LYS 61 2HG LYS 61 -8.497 -3.191 -12.047 411 HD2 LYS 61 1HD LYS 61 -6.636 -0.914 -11.611 412 HD3 LYS 61 2HD LYS 61 -6.344 -1.968 -12.996 413 HE2 LYS 61 1HE LYS 61 -9.081 -0.877 -12.474 414 HE3 LYS 61 2HE LYS 61 -7.864 0.122 -13.268 415 HZ1 LYS 61 3HZ LYS 61 -9.323 -2.163 -14.278 416 HZ2 LYS 61 1HZ LYS 61 -7.674 -2.156 -14.657 417 HZ3 LYS 61 2HZ LYS 61 -8.651 -0.852 -15.110 418 H HIS 62 H HIS 62 -6.664 0.504 -9.252 419 HA HIS 62 HA HIS 62 -7.480 0.930 -6.495 420 HB2 HIS 62 1HB HIS 62 -5.578 2.201 -7.208 421 HB3 HIS 62 2HB HIS 62 -6.430 2.788 -8.633 422 HD1 HIS 62 1HD HIS 62 -6.997 5.167 -8.358 423 HD2 HIS 62 2HD HIS 62 -7.275 3.103 -4.764 424 HE1 HIS 62 1HE HIS 62 -7.749 6.866 -6.664 425 H VAL 63 H VAL 63 -9.692 0.267 -6.762 426 HA VAL 63 HA VAL 63 -11.571 1.180 -8.515 427 HB VAL 63 HB VAL 63 -13.197 1.088 -6.518 428 HG11 VAL 63 1HG1 VAL 63 -11.636 -1.057 -7.789 429 HG12 VAL 63 2HG1 VAL 63 -12.500 -1.517 -6.320 430 HG13 VAL 63 3HG1 VAL 63 -13.381 -0.829 -7.686 431 HG21 VAL 63 3HG2 VAL 63 -10.865 -0.204 -5.133 432 HG22 VAL 63 1HG2 VAL 63 -11.272 1.495 -4.887 433 HG23 VAL 63 2HG2 VAL 63 -12.437 0.239 -4.467 434 H GLY 64 H GLY 64 -9.927 3.003 -6.088 435 HA2 GLY 64 1HA GLY 64 -9.854 5.405 -6.306 436 HA3 GLY 64 2HA GLY 64 -11.525 5.360 -6.848 437 H ASN 65 H ASN 65 -11.556 7.116 -5.138 438 HA ASN 65 HA ASN 65 -12.115 7.871 -3.060 439 HB2 ASN 65 1HB ASN 65 -13.597 5.305 -3.398 440 HB3 ASN 65 2HB ASN 65 -13.623 6.070 -1.811 441 HD21 ASN 65 1HD2 ASN 65 -15.897 5.705 -3.358 442 HD22 ASN 65 2HD2 ASN 65 -16.496 7.251 -3.841 443 H GLN 66 H GLN 66 -9.559 6.609 -3.236 444 HA GLN 66 HA GLN 66 -7.854 5.967 -1.876 445 HB2 GLN 66 1HB GLN 66 -9.808 6.368 0.393 446 HB3 GLN 66 2HB GLN 66 -8.054 6.331 0.507 447 HG2 GLN 66 1HG GLN 66 -9.795 8.443 -0.717 448 HG3 GLN 66 2HG GLN 66 -8.667 8.593 0.629 449 HE21 GLN 66 1HE2 GLN 66 -8.907 10.000 -1.991 450 HE22 GLN 66 2HE2 GLN 66 -7.341 9.870 -2.708 451 H GLN 67 H GLN 67 -9.861 4.046 -2.908 452 HA GLN 67 HA GLN 67 -9.416 1.880 -0.960 453 HB2 GLN 67 1HB GLN 67 -11.680 2.142 -2.946 454 HB3 GLN 67 2HB GLN 67 -11.440 0.802 -1.833 455 HG2 GLN 67 1HG GLN 67 -11.713 2.346 0.057 456 HG3 GLN 67 2HG GLN 67 -12.014 3.658 -1.081 457 HE21 GLN 67 1HE2 GLN 67 -13.782 2.776 0.952 458 HE22 GLN 67 2HE2 GLN 67 -15.213 2.187 0.183 459 H TYR 68 H TYR 68 -8.286 0.166 -1.630 460 HA TYR 68 HA TYR 68 -7.666 -0.024 -4.504 461 HB2 TYR 68 1HB TYR 68 -6.022 -0.799 -2.091 462 HB3 TYR 68 2HB TYR 68 -5.591 -1.234 -3.741 463 HD1 TYR 68 1HD TYR 68 -5.845 1.501 -1.318 464 HD2 TYR 68 2HD TYR 68 -4.783 0.444 -5.300 465 HE1 TYR 68 1HE TYR 68 -4.695 3.660 -1.578 466 HE2 TYR 68 2HE TYR 68 -3.630 2.599 -5.571 467 HH TYR 68 HH TYR 68 -3.624 5.019 -2.974 468 H ASN 69 H ASN 69 -8.642 -1.653 -5.490 469 HA ASN 69 HA ASN 69 -9.648 -3.910 -3.965 470 HB2 ASN 69 1HB ASN 69 -10.798 -2.595 -5.956 471 HB3 ASN 69 2HB ASN 69 -9.897 -3.747 -6.937 472 HD21 ASN 69 1HD2 ASN 69 -10.019 -5.924 -5.137 473 HD22 ASN 69 2HD2 ASN 69 -11.651 -6.490 -5.105 474 H VAL 70 H VAL 70 -8.609 -5.774 -3.757 475 HA VAL 70 HA VAL 70 -6.666 -6.562 -5.819 476 HB VAL 70 HB VAL 70 -6.207 -6.808 -2.843 477 HG11 VAL 70 1HG1 VAL 70 -4.651 -7.725 -5.240 478 HG12 VAL 70 2HG1 VAL 70 -3.879 -7.460 -3.676 479 HG13 VAL 70 3HG1 VAL 70 -5.165 -8.657 -3.834 480 HG21 VAL 70 3HG2 VAL 70 -5.452 -4.715 -2.970 481 HG22 VAL 70 1HG2 VAL 70 -4.150 -5.330 -3.989 482 HG23 VAL 70 2HG2 VAL 70 -5.620 -4.692 -4.726 483 H THR 71 H THR 71 -7.144 -8.491 -6.615 484 HA THR 71 HA THR 71 -8.361 -10.501 -4.845 485 HB THR 71 HB THR 71 -9.185 -10.361 -7.722 486 HG1 THR 71 1HG THR 71 -10.736 -8.884 -7.266 487 HG21 THR 71 3HG2 THR 71 -10.683 -11.256 -5.261 488 HG22 THR 71 1HG2 THR 71 -9.707 -12.329 -6.264 489 HG23 THR 71 2HG2 THR 71 -11.126 -11.534 -6.945 490 H TYR 72 H TYR 72 -7.622 -12.556 -5.080 491 HA TYR 72 HA TYR 72 -5.775 -13.104 -7.302 492 HB2 TYR 72 1HB TYR 72 -4.353 -14.383 -5.669 493 HB3 TYR 72 2HB TYR 72 -4.348 -12.638 -5.437 494 HD1 TYR 72 1HD TYR 72 -5.913 -15.771 -4.178 495 HD2 TYR 72 2HD TYR 72 -4.884 -11.726 -3.352 496 HE1 TYR 72 1HE TYR 72 -6.568 -16.090 -1.829 497 HE2 TYR 72 2HE TYR 72 -5.535 -12.034 -1.000 498 HH TYR 72 HH TYR 72 -7.253 -13.751 0.222 499 H VAL 73 H VAL 73 -5.251 -15.536 -7.363 500 HA VAL 73 HA VAL 73 -7.589 -17.140 -6.592 501 HB VAL 73 HB VAL 73 -6.326 -17.129 -9.336 502 HG11 VAL 73 1HG1 VAL 73 -8.497 -18.685 -9.601 503 HG12 VAL 73 2HG1 VAL 73 -6.890 -19.317 -9.238 504 HG13 VAL 73 3HG1 VAL 73 -8.056 -19.069 -7.938 505 HG21 VAL 73 3HG2 VAL 73 -8.620 -15.771 -8.183 506 HG22 VAL 73 1HG2 VAL 73 -7.811 -15.511 -9.729 507 HG23 VAL 73 2HG2 VAL 73 -9.054 -16.753 -9.582 508 H VAL 74 H VAL 74 -6.828 -18.664 -5.285 509 HA VAL 74 HA VAL 74 -4.133 -19.725 -5.705 510 HB VAL 74 HB VAL 74 -4.426 -20.788 -3.488 511 HG11 VAL 74 1HG1 VAL 74 -4.963 -17.821 -3.579 512 HG12 VAL 74 2HG1 VAL 74 -4.368 -18.707 -2.173 513 HG13 VAL 74 3HG1 VAL 74 -3.384 -18.605 -3.633 514 HG21 VAL 74 3HG2 VAL 74 -6.704 -19.254 -2.626 515 HG22 VAL 74 1HG2 VAL 74 -7.140 -20.313 -3.967 516 HG23 VAL 74 2HG2 VAL 74 -6.414 -20.989 -2.509 517 H LYS 75 H LYS 75 -3.734 -21.749 -6.378 518 HA LYS 75 HA LYS 75 -6.044 -23.436 -7.025 519 HB2 LYS 75 1HB LYS 75 -4.108 -22.693 -8.676 520 HB3 LYS 75 2HB LYS 75 -3.284 -24.074 -7.964 521 HG2 LYS 75 1HG LYS 75 -4.410 -24.702 -10.015 522 HG3 LYS 75 2HG LYS 75 -5.133 -25.525 -8.631 523 HD2 LYS 75 1HD LYS 75 -7.075 -24.291 -8.742 524 HD3 LYS 75 2HD LYS 75 -6.289 -22.929 -9.544 525 HE2 LYS 75 1HE LYS 75 -6.454 -23.881 -11.619 526 HE3 LYS 75 2HE LYS 75 -6.415 -25.526 -10.987 527 HZ1 LYS 75 3HZ LYS 75 -8.621 -24.358 -11.890 528 HZ2 LYS 75 1HZ LYS 75 -8.734 -23.936 -10.255 529 HZ3 LYS 75 2HZ LYS 75 -8.634 -25.564 -10.703 530 H GLU 76 H GLU 76 -4.329 -23.093 -4.422 531 HA GLU 76 HA GLU 76 -4.196 -25.978 -3.884 532 HB2 GLU 76 1HB GLU 76 -1.907 -25.257 -4.229 533 HB3 GLU 76 2HB GLU 76 -2.124 -23.921 -3.107 534 HG2 GLU 76 1HG GLU 76 -2.301 -25.403 -1.253 535 HG3 GLU 76 2HG GLU 76 -2.364 -26.810 -2.314 536 H ARG 77 H ARG 77 -4.108 -26.422 -1.486 537 HA ARG 77 HA ARG 77 -5.677 -24.414 -0.007 538 HB2 ARG 77 1HB ARG 77 -6.845 -26.308 1.104 539 HB3 ARG 77 2HB ARG 77 -7.165 -26.208 -0.622 540 HG2 ARG 77 1HG ARG 77 -4.963 -27.971 0.321 541 HG3 ARG 77 2HG ARG 77 -6.633 -28.499 0.533 542 HD2 ARG 77 1HD ARG 77 -7.016 -28.652 -1.726 543 HD3 ARG 77 2HD ARG 77 -5.789 -27.449 -2.122 544 HE ARG 77 HE ARG 77 -4.645 -29.815 -1.019 545 HH11 ARG 77 1HH1 ARG 77 -5.956 -28.434 -3.933 546 HH12 ARG 77 2HH1 ARG 77 -5.050 -29.468 -4.987 547 HH21 ARG 77 1HH2 ARG 77 -3.446 -31.183 -2.396 548 HH22 ARG 77 2HH2 ARG 77 -3.623 -31.032 -4.112 549 H GLY 78 H GLY 78 -5.651 -24.929 2.428 550 HA2 GLY 78 1HA GLY 78 -4.363 -25.972 4.231 551 HA3 GLY 78 2HA GLY 78 -2.947 -25.835 3.199 552 H ASP 79 H ASP 79 -1.709 -24.623 4.582 553 HA ASP 79 HA ASP 79 -2.771 -22.164 5.699 554 HB2 ASP 79 1HB ASP 79 -1.365 -23.196 7.234 555 HB3 ASP 79 2HB ASP 79 -0.216 -23.699 5.997 556 H TYR 80 H TYR 80 -2.324 -20.133 5.024 557 HA TYR 80 HA TYR 80 -0.473 -19.825 2.755 558 HB2 TYR 80 1HB TYR 80 -3.310 -18.940 3.029 559 HB3 TYR 80 2HB TYR 80 -2.196 -17.901 2.147 560 HD1 TYR 80 1HD TYR 80 -3.034 -21.547 2.319 561 HD2 TYR 80 2HD TYR 80 -2.152 -18.185 -0.135 562 HE1 TYR 80 1HE TYR 80 -3.335 -22.939 0.314 563 HE2 TYR 80 2HE TYR 80 -2.451 -19.567 -2.147 564 HH TYR 80 HH TYR 80 -2.689 -21.669 -2.918 565 H VAL 81 H VAL 81 0.454 -17.705 2.516 566 HA VAL 81 HA VAL 81 0.404 -16.100 4.987 567 HB VAL 81 HB VAL 81 2.834 -16.752 3.314 568 HG11 VAL 81 1HG1 VAL 81 4.004 -15.537 5.231 569 HG12 VAL 81 2HG1 VAL 81 3.146 -14.545 4.050 570 HG13 VAL 81 3HG1 VAL 81 2.417 -14.876 5.622 571 HG21 VAL 81 3HG2 VAL 81 2.442 -18.635 4.634 572 HG22 VAL 81 1HG2 VAL 81 3.585 -17.691 5.590 573 HG23 VAL 81 2HG2 VAL 81 1.870 -17.677 5.999 574 H LEU 82 H LEU 82 -0.583 -14.258 4.460 575 HA LEU 82 HA LEU 82 -0.159 -13.088 1.815 576 HB2 LEU 82 1HB LEU 82 -2.448 -13.254 2.494 577 HB3 LEU 82 2HB LEU 82 -2.101 -12.462 4.030 578 HG LEU 82 HG LEU 82 -1.650 -10.365 2.836 579 HD11 LEU 82 1HD1 LEU 82 -2.596 -10.435 0.382 580 HD12 LEU 82 2HD1 LEU 82 -2.073 -12.117 0.470 581 HD13 LEU 82 3HD1 LEU 82 -0.908 -10.818 0.722 582 HD21 LEU 82 3HD2 LEU 82 -3.796 -10.131 3.423 583 HD22 LEU 82 1HD2 LEU 82 -4.221 -11.754 2.880 584 HD23 LEU 82 2HD2 LEU 82 -4.146 -10.428 1.720 585 H ALA 83 H ALA 83 1.343 -11.590 1.538 586 HA ALA 83 HA ALA 83 2.190 -9.992 3.864 587 HB1 ALA 83 3HB ALA 83 3.809 -10.430 1.370 588 HB2 ALA 83 1HB ALA 83 4.352 -9.837 2.940 589 HB3 ALA 83 2HB ALA 83 3.874 -11.524 2.751 590 H VAL 84 H VAL 84 1.155 -8.095 3.816 591 HA VAL 84 HA VAL 84 0.979 -6.672 1.240 592 HB VAL 84 HB VAL 84 -0.768 -6.229 3.662 593 HG11 VAL 84 1HG1 VAL 84 -0.463 -4.916 1.054 594 HG12 VAL 84 2HG1 VAL 84 -2.127 -5.282 1.513 595 HG13 VAL 84 3HG1 VAL 84 -1.116 -4.296 2.570 596 HG21 VAL 84 3HG2 VAL 84 -2.121 -7.878 3.018 597 HG22 VAL 84 1HG2 VAL 84 -2.095 -7.330 1.341 598 HG23 VAL 84 2HG2 VAL 84 -0.833 -8.409 1.937 599 H LYS 85 H LYS 85 2.278 -4.982 1.048 600 HA LYS 85 HA LYS 85 3.253 -3.660 3.490 601 HB2 LYS 85 1HB LYS 85 4.453 -4.026 0.758 602 HB3 LYS 85 2HB LYS 85 5.028 -2.760 1.836 603 HG2 LYS 85 1HG LYS 85 5.429 -4.555 3.552 604 HG3 LYS 85 2HG LYS 85 5.102 -5.732 2.278 605 HD2 LYS 85 1HD LYS 85 7.404 -5.551 2.183 606 HD3 LYS 85 2HD LYS 85 6.898 -4.391 0.953 607 HE2 LYS 85 1HE LYS 85 7.351 -2.558 2.330 608 HE3 LYS 85 2HE LYS 85 7.361 -3.543 3.792 609 HZ1 LYS 85 3HZ LYS 85 9.567 -2.729 2.566 610 HZ2 LYS 85 1HZ LYS 85 9.353 -4.216 1.787 611 HZ3 LYS 85 2HZ LYS 85 9.489 -4.155 3.472 612 H TRP 86 H TRP 86 3.483 -1.352 3.480 613 HA TRP 86 HA TRP 86 1.819 0.037 1.493 614 HB2 TRP 86 1HB TRP 86 0.403 -0.198 3.418 615 HB3 TRP 86 2HB TRP 86 1.692 0.327 4.498 616 HD1 TRP 86 HD TRP 86 1.386 2.729 5.292 617 HE1 TRP 86 1HE TRP 86 0.309 4.870 4.354 618 HE3 TRP 86 3HE TRP 86 -0.156 0.942 0.757 619 HZ2 TRP 86 2HZ TRP 86 -1.019 5.692 2.003 620 HZ3 TRP 86 3HZ TRP 86 -1.323 2.470 -0.777 621 HH2 TRP 86 HH TRP 86 -1.745 4.796 -0.166 622 H GLY 87 H GLY 87 3.652 0.839 0.454 623 HA2 GLY 87 1HA GLY 87 5.402 2.277 0.072 624 HA3 GLY 87 2HA GLY 87 4.613 3.312 1.254 625 H GLU 88 H GLU 88 6.790 0.518 0.992 626 HA GLU 88 HA GLU 88 8.573 -0.142 2.242 627 HB2 GLU 88 1HB GLU 88 8.579 2.828 2.667 628 HB3 GLU 88 2HB GLU 88 9.727 1.811 3.526 629 HG2 GLU 88 1HG GLU 88 10.170 0.878 1.094 630 HG3 GLU 88 2HG GLU 88 9.558 2.467 0.640 631 H GLU 89 H GLU 89 6.144 -0.683 3.385 632 HA GLU 89 HA GLU 89 6.865 -0.868 6.162 633 HB2 GLU 89 1HB GLU 89 4.480 0.777 5.314 634 HB3 GLU 89 2HB GLU 89 4.680 0.135 6.939 635 HG2 GLU 89 1HG GLU 89 6.980 1.358 6.831 636 HG3 GLU 89 2HG GLU 89 6.201 2.288 5.552 637 H HIS 90 H HIS 90 4.793 -1.845 7.373 638 HA HIS 90 HA HIS 90 3.522 -3.810 5.596 639 HB2 HIS 90 1HB HIS 90 5.133 -4.337 8.075 640 HB3 HIS 90 2HB HIS 90 3.852 -5.446 7.592 641 HD1 HIS 90 1HD HIS 90 4.566 -7.260 6.073 642 HD2 HIS 90 2HD HIS 90 7.101 -3.975 5.857 643 HE1 HIS 90 1HE HIS 90 6.419 -7.941 4.515 644 H ILE 91 H ILE 91 1.414 -3.427 5.735 645 HA ILE 91 HA ILE 91 0.016 -1.956 7.530 646 HB ILE 91 HB ILE 91 -1.998 -3.194 6.929 647 HG12 ILE 91 1HG1 ILE 91 -0.156 -5.157 5.550 648 HG13 ILE 91 2HG1 ILE 91 -0.956 -5.464 7.087 649 HG21 ILE 91 1HG2 ILE 91 -1.079 -1.588 5.337 650 HG22 ILE 91 2HG2 ILE 91 -0.114 -2.865 4.598 651 HG23 ILE 91 3HG2 ILE 91 -1.874 -2.925 4.505 652 HD11 ILE 91 3HD1 ILE 91 -2.277 -5.013 4.424 653 HD12 ILE 91 1HD1 ILE 91 -2.176 -6.528 5.321 654 HD13 ILE 91 2HD1 ILE 91 -3.133 -5.188 5.955 655 HA PRO 92 HA PRO 92 -0.044 -4.019 11.410 656 HB2 PRO 92 1HB PRO 92 -2.415 -3.129 12.388 657 HB3 PRO 92 2HB PRO 92 -0.982 -2.102 12.260 658 HG2 PRO 92 1HG PRO 92 -3.346 -2.291 10.433 659 HG3 PRO 92 2HG PRO 92 -2.491 -0.849 11.011 660 HD2 PRO 92 1HD PRO 92 -2.076 -1.900 8.550 661 HD3 PRO 92 2HD PRO 92 -0.795 -1.081 9.467 662 H GLY 93 H GLY 93 -0.211 -6.198 10.732 663 HA2 GLY 93 1HA GLY 93 -2.027 -7.847 11.698 664 HA3 GLY 93 2HA GLY 93 -2.892 -7.275 10.279 665 H SER 94 H SER 94 -0.005 -7.086 9.078 666 HA SER 94 HA SER 94 -0.068 -9.815 8.024 667 HB2 SER 94 1HB SER 94 0.009 -8.449 6.177 668 HB3 SER 94 2HB SER 94 0.916 -7.189 7.013 669 HG SER 94 HG SER 94 2.743 -8.139 6.493 670 HA PRO 95 HA PRO 95 1.460 -10.890 6.594 671 HB2 PRO 95 1HB PRO 95 2.170 -13.461 7.098 672 HB3 PRO 95 2HB PRO 95 3.280 -12.278 6.397 673 HG2 PRO 95 1HG PRO 95 3.045 -13.206 9.233 674 HG3 PRO 95 2HG PRO 95 4.504 -12.924 8.265 675 HD2 PRO 95 1HD PRO 95 3.595 -11.136 10.084 676 HD3 PRO 95 2HD PRO 95 4.440 -10.645 8.602 677 H PHE 96 H PHE 96 -0.586 -11.554 6.355 678 HA PHE 96 HA PHE 96 -2.134 -12.251 8.686 679 HB2 PHE 96 1HB PHE 96 -2.778 -11.727 5.800 680 HB3 PHE 96 2HB PHE 96 -3.983 -12.444 6.864 681 HD1 PHE 96 2HD PHE 96 -1.769 -9.497 6.469 682 HD2 PHE 96 1HD PHE 96 -5.268 -11.110 8.278 683 HE1 PHE 96 2HE PHE 96 -2.381 -7.255 7.277 684 HE2 PHE 96 1HE PHE 96 -5.886 -8.871 9.088 685 HZ PHE 96 HZ PHE 96 -4.441 -6.940 8.589 686 H HIS 97 H HIS 97 -3.199 -14.179 9.079 687 HA HIS 97 HA HIS 97 -2.032 -16.508 7.754 688 HB2 HIS 97 1HB HIS 97 -1.930 -16.486 10.185 689 HB3 HIS 97 2HB HIS 97 -3.675 -16.271 10.284 690 HD1 HIS 97 1HD HIS 97 -4.114 -18.441 11.542 691 HD2 HIS 97 2HD HIS 97 -2.114 -18.998 7.943 692 HE1 HIS 97 1HE HIS 97 -4.152 -20.921 11.128 693 H VAL 98 H VAL 98 -3.109 -17.043 5.952 694 HA VAL 98 HA VAL 98 -6.049 -17.048 6.018 695 HB VAL 98 HB VAL 98 -4.116 -16.981 3.705 696 HG11 VAL 98 1HG1 VAL 98 -7.118 -17.261 3.597 697 HG12 VAL 98 2HG1 VAL 98 -6.041 -17.049 2.215 698 HG13 VAL 98 3HG1 VAL 98 -5.953 -18.519 3.185 699 HG21 VAL 98 3HG2 VAL 98 -5.273 -14.881 3.177 700 HG22 VAL 98 1HG2 VAL 98 -6.276 -15.081 4.615 701 HG23 VAL 98 2HG2 VAL 98 -4.537 -14.838 4.779 702 H THR 99 H THR 99 -7.002 -18.940 6.316 703 HA THR 99 HA THR 99 -5.528 -21.399 5.691 704 HB THR 99 HB THR 99 -8.015 -21.040 7.375 705 HG1 THR 99 1HG THR 99 -6.129 -20.167 8.349 706 HG21 THR 99 3HG2 THR 99 -7.822 -23.319 7.972 707 HG22 THR 99 1HG2 THR 99 -6.230 -23.460 7.229 708 HG23 THR 99 2HG2 THR 99 -7.662 -23.279 6.217 709 H VAL 100 H VAL 100 -6.193 -22.795 4.163 710 HA VAL 100 HA VAL 100 -8.778 -22.259 2.849 711 HB VAL 100 HB VAL 100 -6.237 -23.230 1.532 712 HG11 VAL 100 1HG1 VAL 100 -8.711 -22.373 0.086 713 HG12 VAL 100 2HG1 VAL 100 -7.389 -23.403 -0.469 714 HG13 VAL 100 3HG1 VAL 100 -8.562 -24.022 0.694 715 HG21 VAL 100 3HG2 VAL 100 -6.006 -21.112 0.558 716 HG22 VAL 100 1HG2 VAL 100 -7.645 -20.633 1.001 717 HG23 VAL 100 2HG2 VAL 100 -6.402 -20.777 2.244 718 HA PRO 101 HA PRO 101 -9.539 -26.462 4.157 719 HB2 PRO 101 1HB PRO 101 -12.076 -26.576 3.197 720 HB3 PRO 101 2HB PRO 101 -11.654 -25.751 4.703 721 HG2 PRO 101 1HG PRO 101 -12.113 -24.601 1.977 722 HG3 PRO 101 2HG PRO 101 -12.666 -24.002 3.552 723 HD2 PRO 101 1HD PRO 101 -10.522 -22.960 2.269 724 HD3 PRO 101 2HD PRO 101 -10.632 -23.033 4.039 Start of MODEL 13 1 H1 GLY 1 H GLY 1 10.625 5.929 -7.245 2 HA2 GLY 1 1HA GLY 1 12.097 5.710 -9.167 3 HA3 GLY 1 2HA GLY 1 10.664 5.517 -10.167 4 H SER 2 H SER 2 10.858 7.195 -11.547 5 HA SER 2 HA SER 2 11.942 9.632 -11.314 6 HB2 SER 2 1HB SER 2 10.226 10.496 -12.885 7 HB3 SER 2 2HB SER 2 10.832 8.909 -13.360 8 HG SER 2 HG SER 2 8.316 9.662 -12.470 9 H SER 3 H SER 3 8.686 8.810 -10.160 10 HA SER 3 HA SER 3 8.681 11.322 -8.621 11 HB2 SER 3 1HB SER 3 6.863 11.212 -10.259 12 HB3 SER 3 2HB SER 3 6.332 9.671 -9.587 13 HG SER 3 HG SER 3 5.102 10.965 -8.445 14 H GLY 4 H GLY 4 8.468 11.254 -6.451 15 HA2 GLY 4 1HA GLY 4 8.445 8.592 -5.217 16 HA3 GLY 4 2HA GLY 4 9.007 10.074 -4.458 17 H SER 5 H SER 5 7.646 9.170 -2.680 18 HA SER 5 HA SER 5 4.775 9.557 -3.071 19 HB2 SER 5 1HB SER 5 6.389 8.360 -0.815 20 HB3 SER 5 2HB SER 5 4.650 8.635 -0.709 21 HG SER 5 HG SER 5 4.311 7.156 -2.289 22 H SER 6 H SER 6 3.779 11.362 -2.484 23 HA SER 6 HA SER 6 5.197 13.220 -0.692 24 HB2 SER 6 1HB SER 6 3.985 15.028 -1.780 25 HB3 SER 6 2HB SER 6 4.798 14.050 -3.002 26 HG SER 6 HG SER 6 2.356 13.054 -2.553 27 H GLY 7 H GLY 7 4.266 13.849 1.167 28 HA2 GLY 7 1HA GLY 7 2.344 14.442 2.483 29 HA3 GLY 7 2HA GLY 7 1.406 13.274 1.564 30 H SER 8 H SER 8 2.053 13.698 4.520 31 HA SER 8 HA SER 8 3.622 11.576 5.454 32 HB2 SER 8 1HB SER 8 2.553 11.935 7.605 33 HB3 SER 8 2HB SER 8 2.852 13.497 6.842 34 HG SER 8 HG SER 8 0.589 12.673 7.770 35 H SER 9 H SER 9 3.283 9.564 4.707 36 HA SER 9 HA SER 9 0.551 8.475 4.882 37 HB2 SER 9 1HB SER 9 2.838 7.821 3.030 38 HB3 SER 9 2HB SER 9 1.475 6.724 3.248 39 HG SER 9 HG SER 9 0.561 9.204 2.829 40 H ASP 10 H ASP 10 0.218 7.087 6.473 41 HA ASP 10 HA ASP 10 2.524 5.622 7.574 42 HB2 ASP 10 1HB ASP 10 0.116 6.849 8.820 43 HB3 ASP 10 2HB ASP 10 0.722 5.355 9.531 44 H ALA 11 H ALA 11 2.284 3.426 8.123 45 HA ALA 11 HA ALA 11 0.388 2.017 6.428 46 HB1 ALA 11 3HB ALA 11 2.887 1.469 6.673 47 HB2 ALA 11 1HB ALA 11 2.424 0.701 8.191 48 HB3 ALA 11 2HB ALA 11 1.737 0.132 6.669 49 H SER 12 H SER 12 1.195 2.303 9.862 50 HA SER 12 HA SER 12 -0.453 0.366 10.931 51 HB2 SER 12 1HB SER 12 1.133 1.677 12.274 52 HB3 SER 12 2HB SER 12 0.124 3.110 12.076 53 HG SER 12 HG SER 12 -0.551 0.704 13.419 54 H LYS 13 H LYS 13 -1.317 3.311 9.381 55 HA LYS 13 HA LYS 13 -3.976 3.439 10.502 56 HB2 LYS 13 1HB LYS 13 -2.857 4.926 8.120 57 HB3 LYS 13 2HB LYS 13 -4.309 5.329 9.026 58 HG2 LYS 13 1HG LYS 13 -1.530 5.343 10.182 59 HG3 LYS 13 2HG LYS 13 -2.362 6.766 9.550 60 HD2 LYS 13 1HD LYS 13 -3.766 5.118 11.587 61 HD3 LYS 13 2HD LYS 13 -2.425 6.132 12.124 62 HE2 LYS 13 1HE LYS 13 -4.477 7.346 10.350 63 HE3 LYS 13 2HE LYS 13 -4.917 7.030 12.028 64 HZ1 LYS 13 3HZ LYS 13 -3.268 9.087 10.959 65 HZ2 LYS 13 1HZ LYS 13 -2.441 8.208 12.144 66 HZ3 LYS 13 2HZ LYS 13 -3.923 8.937 12.512 67 H VAL 14 H VAL 14 -2.432 2.209 7.611 68 HA VAL 14 HA VAL 14 -4.609 1.867 5.933 69 HB VAL 14 HB VAL 14 -2.246 0.013 6.266 70 HG11 VAL 14 1HG1 VAL 14 -4.589 -0.186 4.631 71 HG12 VAL 14 2HG1 VAL 14 -3.167 0.037 3.610 72 HG13 VAL 14 3HG1 VAL 14 -3.225 -1.296 4.764 73 HG21 VAL 14 3HG2 VAL 14 -2.436 1.947 4.032 74 HG22 VAL 14 1HG2 VAL 14 -2.078 2.600 5.630 75 HG23 VAL 14 2HG2 VAL 14 -1.025 1.376 4.921 76 H THR 15 H THR 15 -6.280 0.477 5.807 77 HA THR 15 HA THR 15 -6.405 -1.705 7.784 78 HB THR 15 HB THR 15 -8.856 -1.328 7.934 79 HG1 THR 15 1HG THR 15 -9.793 0.212 6.789 80 HG21 THR 15 3HG2 THR 15 -7.470 1.236 8.650 81 HG22 THR 15 1HG2 THR 15 -7.080 -0.270 9.479 82 HG23 THR 15 2HG2 THR 15 -8.723 0.368 9.536 83 H SER 16 H SER 16 -7.334 -3.624 7.128 84 HA SER 16 HA SER 16 -8.176 -3.795 4.314 85 HB2 SER 16 1HB SER 16 -7.001 -5.983 4.160 86 HB3 SER 16 2HB SER 16 -5.897 -4.634 4.428 87 HG SER 16 HG SER 16 -6.397 -5.342 6.799 88 H LYS 17 H LYS 17 -9.890 -5.102 3.889 89 HA LYS 17 HA LYS 17 -10.909 -6.844 6.006 90 HB2 LYS 17 1HB LYS 17 -13.233 -5.925 5.558 91 HB3 LYS 17 2HB LYS 17 -12.148 -4.882 6.468 92 HG2 LYS 17 1HG LYS 17 -12.987 -3.361 5.010 93 HG3 LYS 17 2HG LYS 17 -11.617 -3.937 4.057 94 HD2 LYS 17 1HD LYS 17 -12.945 -5.080 2.588 95 HD3 LYS 17 2HD LYS 17 -14.203 -5.379 3.789 96 HE2 LYS 17 1HE LYS 17 -13.651 -2.617 2.756 97 HE3 LYS 17 2HE LYS 17 -14.700 -3.729 1.879 98 HZ1 LYS 17 3HZ LYS 17 -15.082 -2.708 4.638 99 HZ2 LYS 17 1HZ LYS 17 -16.017 -3.943 3.956 100 HZ3 LYS 17 2HZ LYS 17 -16.048 -2.391 3.285 101 H GLY 18 H GLY 18 -12.165 -8.566 5.279 102 HA2 GLY 18 1HA GLY 18 -13.534 -9.237 3.188 103 HA3 GLY 18 2HA GLY 18 -11.988 -9.027 2.380 104 H ALA 19 H ALA 19 -13.546 -11.433 2.509 105 HA ALA 19 HA ALA 19 -12.690 -13.264 4.428 106 HB1 ALA 19 3HB ALA 19 -13.770 -13.491 1.665 107 HB2 ALA 19 1HB ALA 19 -13.084 -14.928 2.425 108 HB3 ALA 19 2HB ALA 19 -14.430 -14.082 3.190 109 H GLY 20 H GLY 20 -11.333 -12.625 1.191 110 HA2 GLY 20 1HA GLY 20 -9.325 -14.428 1.016 111 HA3 GLY 20 2HA GLY 20 -9.134 -12.763 0.485 112 H LEU 21 H LEU 21 -9.404 -11.678 3.188 113 HA LEU 21 HA LEU 21 -6.654 -11.867 3.950 114 HB2 LEU 21 1HB LEU 21 -8.975 -10.527 5.330 115 HB3 LEU 21 2HB LEU 21 -7.276 -10.313 5.747 116 HG LEU 21 HG LEU 21 -8.212 -9.650 2.987 117 HD11 LEU 21 1HD1 LEU 21 -8.233 -7.518 5.052 118 HD12 LEU 21 2HD1 LEU 21 -9.628 -8.592 4.953 119 HD13 LEU 21 3HD1 LEU 21 -9.141 -7.648 3.546 120 HD21 LEU 21 3HD2 LEU 21 -6.358 -8.175 2.994 121 HD22 LEU 21 1HD2 LEU 21 -5.791 -9.693 3.690 122 HD23 LEU 21 2HD2 LEU 21 -6.155 -8.324 4.740 123 H SER 22 H SER 22 -9.700 -13.092 5.226 124 HA SER 22 HA SER 22 -8.453 -14.216 7.575 125 HB2 SER 22 1HB SER 22 -10.824 -13.362 7.522 126 HB3 SER 22 2HB SER 22 -11.236 -14.752 6.517 127 HG SER 22 HG SER 22 -11.442 -14.837 8.973 128 H LYS 23 H LYS 23 -10.127 -15.570 4.732 129 HA LYS 23 HA LYS 23 -8.231 -17.733 4.573 130 HB2 LYS 23 1HB LYS 23 -9.927 -19.521 4.777 131 HB3 LYS 23 2HB LYS 23 -9.700 -18.634 6.279 132 HG2 LYS 23 1HG LYS 23 -11.739 -17.441 5.970 133 HG3 LYS 23 2HG LYS 23 -11.924 -18.073 4.333 134 HD2 LYS 23 1HD LYS 23 -12.461 -20.212 5.090 135 HD3 LYS 23 2HD LYS 23 -11.769 -19.922 6.688 136 HE2 LYS 23 1HE LYS 23 -14.068 -19.843 7.060 137 HE3 LYS 23 2HE LYS 23 -13.607 -18.145 6.936 138 HZ1 LYS 23 3HZ LYS 23 -15.585 -18.536 5.662 139 HZ2 LYS 23 1HZ LYS 23 -14.852 -19.796 4.805 140 HZ3 LYS 23 2HZ LYS 23 -14.315 -18.206 4.595 141 H ALA 24 H ALA 24 -8.701 -19.174 2.706 142 HA ALA 24 HA ALA 24 -10.410 -17.900 0.682 143 HB1 ALA 24 3HB ALA 24 -7.493 -18.501 0.490 144 HB2 ALA 24 1HB ALA 24 -8.499 -18.590 -0.956 145 HB3 ALA 24 2HB ALA 24 -8.387 -17.080 -0.050 146 H PHE 25 H PHE 25 -10.730 -19.358 -1.244 147 HA PHE 25 HA PHE 25 -10.649 -22.198 -0.493 148 HB2 PHE 25 1HB PHE 25 -13.029 -20.678 -1.570 149 HB3 PHE 25 2HB PHE 25 -12.934 -22.435 -1.526 150 HD1 PHE 25 2HD PHE 25 -12.582 -19.484 0.723 151 HD2 PHE 25 1HD PHE 25 -13.788 -23.544 0.298 152 HE1 PHE 25 2HE PHE 25 -13.440 -19.467 3.028 153 HE2 PHE 25 1HE PHE 25 -14.649 -23.533 2.603 154 HZ PHE 25 HZ PHE 25 -14.475 -21.493 3.972 155 H VAL 26 H VAL 26 -9.944 -23.514 -2.056 156 HA VAL 26 HA VAL 26 -8.623 -22.752 -4.288 157 HB VAL 26 HB VAL 26 -10.263 -25.273 -4.005 158 HG11 VAL 26 1HG1 VAL 26 -9.526 -25.973 -5.988 159 HG12 VAL 26 2HG1 VAL 26 -9.052 -24.301 -6.297 160 HG13 VAL 26 3HG1 VAL 26 -7.879 -25.445 -5.645 161 HG21 VAL 26 3HG2 VAL 26 -8.762 -25.829 -2.460 162 HG22 VAL 26 1HG2 VAL 26 -7.530 -25.800 -3.721 163 HG23 VAL 26 2HG2 VAL 26 -7.838 -24.357 -2.757 164 H GLY 27 H GLY 27 -9.083 -21.924 -6.228 165 HA2 GLY 27 1HA GLY 27 -10.275 -21.474 -8.168 166 HA3 GLY 27 2HA GLY 27 -11.599 -22.446 -7.543 167 H GLN 28 H GLN 28 -12.185 -21.178 -5.183 168 HA GLN 28 HA GLN 28 -13.865 -19.118 -5.973 169 HB2 GLN 28 1HB GLN 28 -12.692 -19.503 -3.215 170 HB3 GLN 28 2HB GLN 28 -14.172 -18.641 -3.611 171 HG2 GLN 28 1HG GLN 28 -14.928 -20.905 -4.614 172 HG3 GLN 28 2HG GLN 28 -13.637 -21.576 -3.618 173 HE21 GLN 28 1HE2 GLN 28 -15.389 -22.710 -2.556 174 HE22 GLN 28 2HE2 GLN 28 -16.277 -21.915 -1.305 175 H LYS 29 H LYS 29 -13.291 -17.248 -6.852 176 HA LYS 29 HA LYS 29 -10.767 -16.048 -6.634 177 HB2 LYS 29 1HB LYS 29 -12.787 -15.680 -8.310 178 HB3 LYS 29 2HB LYS 29 -13.169 -14.368 -7.201 179 HG2 LYS 29 1HG LYS 29 -10.909 -13.454 -7.543 180 HG3 LYS 29 2HG LYS 29 -10.588 -14.740 -8.708 181 HD2 LYS 29 1HD LYS 29 -12.480 -13.935 -10.073 182 HD3 LYS 29 2HD LYS 29 -12.723 -12.616 -8.925 183 HE2 LYS 29 1HE LYS 29 -10.374 -11.895 -9.388 184 HE3 LYS 29 2HE LYS 29 -10.309 -13.112 -10.662 185 HZ1 LYS 29 3HZ LYS 29 -10.857 -10.975 -11.588 186 HZ2 LYS 29 1HZ LYS 29 -12.170 -10.801 -10.535 187 HZ3 LYS 29 2HZ LYS 29 -12.196 -11.999 -11.729 188 H SER 30 H SER 30 -10.030 -15.622 -4.614 189 HA SER 30 HA SER 30 -11.694 -14.368 -2.624 190 HB2 SER 30 1HB SER 30 -8.915 -15.436 -2.733 191 HB3 SER 30 2HB SER 30 -9.272 -14.222 -1.505 192 HG SER 30 HG SER 30 -11.000 -16.410 -1.842 193 H SER 31 H SER 31 -11.921 -12.262 -2.254 194 HA SER 31 HA SER 31 -9.952 -10.410 -3.425 195 HB2 SER 31 1HB SER 31 -11.601 -9.027 -4.295 196 HB3 SER 31 2HB SER 31 -12.319 -10.618 -4.547 197 HG SER 31 HG SER 31 -12.844 -8.869 -2.371 198 H PHE 32 H PHE 32 -9.836 -8.309 -2.368 199 HA PHE 32 HA PHE 32 -11.043 -7.983 0.225 200 HB2 PHE 32 1HB PHE 32 -8.914 -7.884 1.468 201 HB3 PHE 32 2HB PHE 32 -9.215 -9.489 0.812 202 HD1 PHE 32 1HD PHE 32 -7.155 -6.475 0.566 203 HD2 PHE 32 2HD PHE 32 -7.828 -10.403 -0.928 204 HE1 PHE 32 1HE PHE 32 -4.951 -6.433 -0.528 205 HE2 PHE 32 2HE PHE 32 -5.625 -10.368 -2.023 206 HZ PHE 32 HZ PHE 32 -4.183 -8.381 -1.824 207 H LEU 33 H LEU 33 -11.185 -5.876 0.769 208 HA LEU 33 HA LEU 33 -9.894 -3.953 -1.033 209 HB2 LEU 33 1HB LEU 33 -12.439 -4.079 -0.639 210 HB3 LEU 33 2HB LEU 33 -12.086 -3.307 0.906 211 HG LEU 33 HG LEU 33 -12.817 -1.676 -0.744 212 HD11 LEU 33 1HD1 LEU 33 -11.351 -0.091 -0.082 213 HD12 LEU 33 2HD1 LEU 33 -9.941 -1.035 -0.561 214 HD13 LEU 33 3HD1 LEU 33 -10.766 -1.391 0.956 215 HD21 LEU 33 3HD2 LEU 33 -11.892 -3.031 -2.693 216 HD22 LEU 33 1HD2 LEU 33 -10.339 -2.277 -2.332 217 HD23 LEU 33 2HD2 LEU 33 -11.721 -1.277 -2.782 218 H VAL 34 H VAL 34 -8.580 -2.350 -0.302 219 HA VAL 34 HA VAL 34 -7.989 -2.331 2.587 220 HB VAL 34 HB VAL 34 -6.054 -1.816 0.324 221 HG11 VAL 34 1HG1 VAL 34 -4.730 -0.846 1.817 222 HG12 VAL 34 2HG1 VAL 34 -5.992 -1.013 3.039 223 HG13 VAL 34 3HG1 VAL 34 -4.791 -2.288 2.830 224 HG21 VAL 34 3HG2 VAL 34 -6.723 -4.190 0.586 225 HG22 VAL 34 1HG2 VAL 34 -5.017 -3.904 0.926 226 HG23 VAL 34 2HG2 VAL 34 -6.155 -4.132 2.254 227 H ASP 35 H ASP 35 -8.676 -0.514 3.492 228 HA ASP 35 HA ASP 35 -9.017 1.895 1.909 229 HB2 ASP 35 1HB ASP 35 -9.502 1.844 4.854 230 HB3 ASP 35 2HB ASP 35 -10.405 2.662 3.582 231 H CYS 36 H CYS 36 -7.474 3.363 1.705 232 HA CYS 36 HA CYS 36 -5.444 3.575 3.830 233 HB2 CYS 36 1HB CYS 36 -3.868 4.326 2.120 234 HB3 CYS 36 2HB CYS 36 -4.530 2.751 1.698 235 HG CYS 36 HG CYS 36 -5.722 3.431 -0.518 236 H SER 37 H SER 37 -7.997 4.956 3.744 237 HA SER 37 HA SER 37 -7.614 7.635 2.864 238 HB2 SER 37 1HB SER 37 -9.858 6.684 3.119 239 HB3 SER 37 2HB SER 37 -9.598 6.503 4.853 240 HG SER 37 HG SER 37 -10.747 8.476 3.954 241 H LYS 38 H LYS 38 -7.651 6.166 6.110 242 HA LYS 38 HA LYS 38 -6.878 8.520 7.471 243 HB2 LYS 38 1HB LYS 38 -7.063 5.627 8.142 244 HB3 LYS 38 2HB LYS 38 -6.080 6.638 9.192 245 HG2 LYS 38 1HG LYS 38 -7.983 8.092 9.606 246 HG3 LYS 38 2HG LYS 38 -8.976 7.120 8.517 247 HD2 LYS 38 1HD LYS 38 -8.892 5.246 9.966 248 HD3 LYS 38 2HD LYS 38 -7.610 5.969 10.941 249 HE2 LYS 38 1HE LYS 38 -9.252 7.799 11.516 250 HE3 LYS 38 2HE LYS 38 -10.497 6.805 10.762 251 HZ1 LYS 38 3HZ LYS 38 -9.541 6.642 13.364 252 HZ2 LYS 38 1HZ LYS 38 -9.016 5.240 12.576 253 HZ3 LYS 38 2HZ LYS 38 -10.663 5.625 12.610 254 H ALA 39 H ALA 39 -5.088 6.018 5.840 255 HA ALA 39 HA ALA 39 -2.553 6.557 7.004 256 HB1 ALA 39 3HB ALA 39 -2.401 4.540 6.017 257 HB2 ALA 39 1HB ALA 39 -3.585 4.941 4.773 258 HB3 ALA 39 2HB ALA 39 -1.914 5.482 4.608 259 H GLY 40 H GLY 40 -3.430 7.085 3.591 260 HA2 GLY 40 1HA GLY 40 -3.057 9.807 3.411 261 HA3 GLY 40 2HA GLY 40 -1.445 9.117 3.286 262 H SER 41 H SER 41 -1.013 9.563 1.179 263 HA SER 41 HA SER 41 -2.811 8.340 -0.812 264 HB2 SER 41 1HB SER 41 -1.357 10.957 -0.828 265 HB3 SER 41 2HB SER 41 -1.643 10.127 -2.357 266 HG SER 41 HG SER 41 -3.374 11.515 -0.802 267 H ASN 42 H ASN 42 -0.833 6.839 0.401 268 HA ASN 42 HA ASN 42 1.511 6.826 -1.298 269 HB2 ASN 42 1HB ASN 42 1.358 6.233 1.243 270 HB3 ASN 42 2HB ASN 42 0.851 4.650 0.660 271 HD21 ASN 42 1HD2 ASN 42 3.422 7.044 0.503 272 HD22 ASN 42 2HD2 ASN 42 4.690 5.926 0.148 273 H MET 43 H MET 43 2.183 4.401 -1.914 274 HA MET 43 HA MET 43 0.019 3.455 -3.653 275 HB2 MET 43 1HB MET 43 1.809 2.332 -4.929 276 HB3 MET 43 2HB MET 43 2.064 4.068 -4.808 277 HG2 MET 43 1HG MET 43 3.780 3.799 -3.206 278 HG3 MET 43 2HG MET 43 3.386 2.098 -2.969 279 HE1 MET 43 3HE MET 43 4.350 0.539 -6.363 280 HE2 MET 43 1HE MET 43 4.643 0.082 -4.684 281 HE3 MET 43 2HE MET 43 3.056 0.676 -5.172 282 H LEU 44 H LEU 44 -0.898 1.515 -3.384 283 HA LEU 44 HA LEU 44 0.054 -0.156 -1.186 284 HB2 LEU 44 1HB LEU 44 -2.318 0.530 -1.284 285 HB3 LEU 44 2HB LEU 44 -2.485 -0.351 -2.801 286 HG LEU 44 HG LEU 44 -1.928 -2.445 -1.562 287 HD11 LEU 44 1HD1 LEU 44 -1.475 -2.507 0.641 288 HD12 LEU 44 2HD1 LEU 44 -2.589 -1.193 1.018 289 HD13 LEU 44 3HD1 LEU 44 -0.984 -0.833 0.383 290 HD21 LEU 44 3HD2 LEU 44 -4.192 -2.206 -1.984 291 HD22 LEU 44 1HD2 LEU 44 -4.344 -0.794 -0.939 292 HD23 LEU 44 2HD2 LEU 44 -4.150 -2.398 -0.231 293 H LEU 45 H LEU 45 1.537 -1.615 -1.745 294 HA LEU 45 HA LEU 45 1.217 -3.040 -4.300 295 HB2 LEU 45 1HB LEU 45 3.555 -3.460 -4.287 296 HB3 LEU 45 2HB LEU 45 3.317 -1.745 -3.955 297 HG LEU 45 HG LEU 45 3.506 -2.631 -1.441 298 HD11 LEU 45 1HD1 LEU 45 5.512 -4.399 -2.763 299 HD12 LEU 45 2HD1 LEU 45 3.866 -4.981 -2.514 300 HD13 LEU 45 3HD1 LEU 45 4.841 -4.477 -1.134 301 HD21 LEU 45 3HD2 LEU 45 5.603 -1.812 -3.410 302 HD22 LEU 45 1HD2 LEU 45 6.044 -2.202 -1.747 303 HD23 LEU 45 2HD2 LEU 45 4.902 -0.898 -2.074 304 H ILE 46 H ILE 46 1.867 -5.330 -4.306 305 HA ILE 46 HA ILE 46 1.359 -6.640 -1.716 306 HB ILE 46 HB ILE 46 0.385 -7.638 -4.394 307 HG12 ILE 46 1HG1 ILE 46 -0.777 -5.568 -3.562 308 HG13 ILE 46 2HG1 ILE 46 -1.824 -6.972 -3.741 309 HG21 ILE 46 1HG2 ILE 46 0.730 -9.501 -3.015 310 HG22 ILE 46 2HG2 ILE 46 0.137 -8.659 -1.583 311 HG23 ILE 46 3HG2 ILE 46 -0.989 -9.140 -2.853 312 HD11 ILE 46 3HD1 ILE 46 -0.647 -6.690 -1.082 313 HD12 ILE 46 1HD1 ILE 46 -1.713 -5.367 -1.555 314 HD13 ILE 46 2HD1 ILE 46 -2.310 -7.027 -1.563 315 H GLY 47 H GLY 47 2.560 -8.442 -1.237 316 HA2 GLY 47 1HA GLY 47 4.590 -9.222 -3.238 317 HA3 GLY 47 2HA GLY 47 4.988 -8.999 -1.541 318 H VAL 48 H VAL 48 2.358 -10.690 -3.254 319 HA VAL 48 HA VAL 48 1.890 -12.719 -1.514 320 HB VAL 48 HB VAL 48 1.202 -14.123 -3.416 321 HG11 VAL 48 1HG1 VAL 48 -0.172 -12.191 -2.541 322 HG12 VAL 48 2HG1 VAL 48 0.398 -11.270 -3.934 323 HG13 VAL 48 3HG1 VAL 48 -0.557 -12.733 -4.174 324 HG21 VAL 48 3HG2 VAL 48 1.444 -13.185 -5.717 325 HG22 VAL 48 1HG2 VAL 48 2.553 -11.985 -5.054 326 HG23 VAL 48 2HG2 VAL 48 2.963 -13.698 -4.984 327 H HIS 49 H HIS 49 3.000 -14.358 -0.678 328 HA HIS 49 HA HIS 49 5.593 -15.041 -1.866 329 HB2 HIS 49 1HB HIS 49 5.144 -14.371 0.658 330 HB3 HIS 49 2HB HIS 49 4.738 -16.078 0.801 331 HD1 HIS 49 1HD HIS 49 7.629 -13.963 -0.486 332 HD2 HIS 49 2HD HIS 49 6.888 -17.646 1.289 333 HE1 HIS 49 1HE HIS 49 9.893 -14.971 -0.058 334 H GLY 50 H GLY 50 6.142 -17.127 -2.421 335 HA2 GLY 50 1HA GLY 50 3.887 -19.032 -2.503 336 HA3 GLY 50 2HA GLY 50 5.153 -18.946 -3.718 337 HA PRO 51 HA PRO 51 7.255 -20.869 0.184 338 HB2 PRO 51 1HB PRO 51 5.648 -21.428 2.300 339 HB3 PRO 51 2HB PRO 51 6.478 -19.880 2.107 340 HG2 PRO 51 1HG PRO 51 3.639 -20.597 1.485 341 HG3 PRO 51 2HG PRO 51 4.279 -19.143 2.272 342 HD2 PRO 51 1HD PRO 51 3.554 -19.188 -0.336 343 HD3 PRO 51 2HD PRO 51 4.874 -18.168 0.270 344 H THR 52 H THR 52 3.859 -21.842 -0.215 345 HA THR 52 HA THR 52 4.723 -24.652 -0.299 346 HB THR 52 HB THR 52 2.205 -25.099 -0.086 347 HG1 THR 52 1HG THR 52 1.811 -22.719 -0.506 348 HG21 THR 52 3HG2 THR 52 4.200 -24.445 1.873 349 HG22 THR 52 1HG2 THR 52 2.902 -25.635 1.962 350 HG23 THR 52 2HG2 THR 52 2.606 -23.969 2.459 351 H THR 53 H THR 53 2.846 -22.205 -2.013 352 HA THR 53 HA THR 53 3.392 -23.416 -4.541 353 HB THR 53 HB THR 53 0.541 -23.525 -3.536 354 HG1 THR 53 1HG THR 53 1.102 -25.838 -4.361 355 HG21 THR 53 3HG2 THR 53 1.131 -22.861 -6.035 356 HG22 THR 53 1HG2 THR 53 -0.198 -23.958 -5.660 357 HG23 THR 53 2HG2 THR 53 1.356 -24.604 -6.187 358 HA PRO 54 HA PRO 54 2.868 -19.162 -5.607 359 HB2 PRO 54 1HB PRO 54 2.953 -19.439 -8.306 360 HB3 PRO 54 2HB PRO 54 4.389 -19.562 -7.283 361 HG2 PRO 54 1HG PRO 54 2.712 -21.742 -8.463 362 HG3 PRO 54 2HG PRO 54 4.477 -21.623 -8.355 363 HD2 PRO 54 1HD PRO 54 3.012 -23.125 -6.644 364 HD3 PRO 54 2HD PRO 54 4.516 -22.317 -6.158 365 H CYS 55 H CYS 55 1.374 -17.742 -6.662 366 HA CYS 55 HA CYS 55 -1.302 -18.890 -6.849 367 HB2 CYS 55 1HB CYS 55 -0.563 -16.734 -5.520 368 HB3 CYS 55 2HB CYS 55 -0.768 -15.957 -7.085 369 HG CYS 55 HG CYS 55 -3.461 -16.697 -7.339 370 H GLU 56 H GLU 56 -2.731 -18.363 -8.591 371 HA GLU 56 HA GLU 56 -1.584 -18.692 -11.136 372 HB2 GLU 56 1HB GLU 56 -4.340 -17.977 -10.183 373 HB3 GLU 56 2HB GLU 56 -3.963 -17.986 -11.899 374 HG2 GLU 56 1HG GLU 56 -3.692 -20.317 -10.015 375 HG3 GLU 56 2HG GLU 56 -4.969 -20.083 -11.208 376 H GLU 57 H GLU 57 -2.924 -15.833 -9.524 377 HA GLU 57 HA GLU 57 -1.185 -14.053 -10.859 378 HB2 GLU 57 1HB GLU 57 -2.842 -12.832 -12.220 379 HB3 GLU 57 2HB GLU 57 -2.592 -14.476 -12.790 380 HG2 GLU 57 1HG GLU 57 -4.651 -15.082 -11.413 381 HG3 GLU 57 2HG GLU 57 -4.944 -13.347 -11.319 382 H VAL 58 H VAL 58 -1.929 -11.704 -10.502 383 HA VAL 58 HA VAL 58 -3.552 -11.475 -8.064 384 HB VAL 58 HB VAL 58 -0.864 -10.153 -8.461 385 HG11 VAL 58 1HG1 VAL 58 -2.076 -8.607 -7.236 386 HG12 VAL 58 2HG1 VAL 58 -3.011 -9.849 -6.400 387 HG13 VAL 58 3HG1 VAL 58 -1.321 -9.579 -5.973 388 HG21 VAL 58 3HG2 VAL 58 -0.052 -12.066 -7.647 389 HG22 VAL 58 1HG2 VAL 58 -0.811 -11.621 -6.118 390 HG23 VAL 58 2HG2 VAL 58 -1.661 -12.671 -7.252 391 H SER 59 H SER 59 -5.251 -10.403 -8.923 392 HA SER 59 HA SER 59 -4.829 -8.193 -10.759 393 HB2 SER 59 1HB SER 59 -6.680 -9.739 -11.189 394 HB3 SER 59 2HB SER 59 -7.382 -9.357 -9.617 395 HG SER 59 HG SER 59 -8.398 -7.874 -10.711 396 H MET 60 H MET 60 -4.350 -6.252 -9.991 397 HA MET 60 HA MET 60 -5.676 -5.357 -7.517 398 HB2 MET 60 1HB MET 60 -2.883 -4.625 -8.410 399 HB3 MET 60 2HB MET 60 -3.677 -4.096 -6.933 400 HG2 MET 60 1HG MET 60 -3.530 -6.199 -5.952 401 HG3 MET 60 2HG MET 60 -3.257 -7.002 -7.497 402 HE1 MET 60 3HE MET 60 -0.157 -4.332 -5.388 403 HE2 MET 60 1HE MET 60 -1.211 -3.646 -6.625 404 HE3 MET 60 2HE MET 60 -1.903 -4.298 -5.139 405 H LYS 61 H LYS 61 -6.731 -3.468 -7.625 406 HA LYS 61 HA LYS 61 -6.085 -1.549 -9.723 407 HB2 LYS 61 1HB LYS 61 -8.604 -3.125 -9.557 408 HB3 LYS 61 2HB LYS 61 -8.738 -1.427 -9.996 409 HG2 LYS 61 1HG LYS 61 -6.936 -3.373 -11.414 410 HG3 LYS 61 2HG LYS 61 -8.590 -3.017 -11.918 411 HD2 LYS 61 1HD LYS 61 -7.940 -0.607 -12.066 412 HD3 LYS 61 2HD LYS 61 -6.271 -1.094 -11.757 413 HE2 LYS 61 1HE LYS 61 -6.250 -1.069 -14.040 414 HE3 LYS 61 2HE LYS 61 -6.751 -2.738 -13.767 415 HZ1 LYS 61 3HZ LYS 61 -8.054 -1.277 -15.428 416 HZ2 LYS 61 1HZ LYS 61 -8.782 -0.626 -14.047 417 HZ3 LYS 61 2HZ LYS 61 -8.910 -2.281 -14.369 418 H HIS 62 H HIS 62 -6.867 0.564 -9.319 419 HA HIS 62 HA HIS 62 -7.515 1.024 -6.495 420 HB2 HIS 62 1HB HIS 62 -5.561 2.216 -7.091 421 HB3 HIS 62 2HB HIS 62 -6.257 2.754 -8.617 422 HD1 HIS 62 1HD HIS 62 -6.838 5.144 -8.565 423 HD2 HIS 62 2HD HIS 62 -7.277 3.381 -4.828 424 HE1 HIS 62 1HE HIS 62 -7.601 6.989 -7.037 425 H VAL 63 H VAL 63 -9.760 0.452 -6.860 426 HA VAL 63 HA VAL 63 -11.524 1.567 -8.638 427 HB VAL 63 HB VAL 63 -13.261 1.343 -6.799 428 HG11 VAL 63 1HG1 VAL 63 -12.495 -0.443 -8.460 429 HG12 VAL 63 2HG1 VAL 63 -11.599 -1.138 -7.108 430 HG13 VAL 63 3HG1 VAL 63 -13.354 -0.987 -7.019 431 HG21 VAL 63 3HG2 VAL 63 -11.224 1.608 -5.082 432 HG22 VAL 63 1HG2 VAL 63 -12.716 0.758 -4.678 433 HG23 VAL 63 2HG2 VAL 63 -11.290 -0.152 -5.176 434 H GLY 64 H GLY 64 -9.981 3.082 -5.922 435 HA2 GLY 64 1HA GLY 64 -9.809 5.540 -6.102 436 HA3 GLY 64 2HA GLY 64 -11.525 5.539 -6.481 437 H ASN 65 H ASN 65 -11.322 7.172 -4.641 438 HA ASN 65 HA ASN 65 -11.659 7.769 -2.465 439 HB2 ASN 65 1HB ASN 65 -13.683 6.214 -3.165 440 HB3 ASN 65 2HB ASN 65 -12.992 5.144 -1.949 441 HD21 ASN 65 1HD2 ASN 65 -13.539 8.641 -2.250 442 HD22 ASN 65 2HD2 ASN 65 -14.317 8.821 -0.717 443 H GLN 66 H GLN 66 -9.158 6.604 -2.900 444 HA GLN 66 HA GLN 66 -7.370 5.738 -1.793 445 HB2 GLN 66 1HB GLN 66 -9.115 6.105 0.647 446 HB3 GLN 66 2HB GLN 66 -7.369 5.899 0.644 447 HG2 GLN 66 1HG GLN 66 -7.805 8.202 0.957 448 HG3 GLN 66 2HG GLN 66 -7.206 8.005 -0.690 449 HE21 GLN 66 1HE2 GLN 66 -10.211 8.190 1.169 450 HE22 GLN 66 2HE2 GLN 66 -11.116 9.023 -0.044 451 H GLN 67 H GLN 67 -9.593 3.972 -2.715 452 HA GLN 67 HA GLN 67 -9.172 1.692 -0.903 453 HB2 GLN 67 1HB GLN 67 -11.316 2.078 -2.999 454 HB3 GLN 67 2HB GLN 67 -11.175 0.705 -1.909 455 HG2 GLN 67 1HG GLN 67 -11.431 2.315 -0.005 456 HG3 GLN 67 2HG GLN 67 -11.817 3.553 -1.200 457 HE21 GLN 67 1HE2 GLN 67 -13.262 1.844 0.988 458 HE22 GLN 67 2HE2 GLN 67 -14.757 1.450 0.217 459 H TYR 68 H TYR 68 -8.426 -0.255 -1.685 460 HA TYR 68 HA TYR 68 -7.554 -0.291 -4.497 461 HB2 TYR 68 1HB TYR 68 -6.007 -1.027 -2.023 462 HB3 TYR 68 2HB TYR 68 -5.578 -1.681 -3.600 463 HD1 TYR 68 2HD TYR 68 -4.687 -0.224 -5.350 464 HD2 TYR 68 1HD TYR 68 -5.616 1.296 -1.486 465 HE1 TYR 68 2HE TYR 68 -3.378 1.801 -5.838 466 HE2 TYR 68 1HE TYR 68 -4.311 3.325 -1.963 467 HH TYR 68 HH TYR 68 -3.094 4.022 -5.137 468 H ASN 69 H ASN 69 -8.614 -1.838 -5.531 469 HA ASN 69 HA ASN 69 -9.684 -4.119 -4.088 470 HB2 ASN 69 1HB ASN 69 -10.796 -2.703 -6.027 471 HB3 ASN 69 2HB ASN 69 -9.924 -3.837 -7.054 472 HD21 ASN 69 1HD2 ASN 69 -10.121 -6.029 -5.187 473 HD22 ASN 69 2HD2 ASN 69 -11.760 -6.575 -5.240 474 H VAL 70 H VAL 70 -8.423 -5.820 -3.748 475 HA VAL 70 HA VAL 70 -6.611 -6.675 -5.911 476 HB VAL 70 HB VAL 70 -6.123 -6.931 -2.940 477 HG11 VAL 70 1HG1 VAL 70 -5.107 -8.803 -3.874 478 HG12 VAL 70 2HG1 VAL 70 -4.655 -7.944 -5.348 479 HG13 VAL 70 3HG1 VAL 70 -3.804 -7.616 -3.838 480 HG21 VAL 70 3HG2 VAL 70 -5.255 -4.972 -4.988 481 HG22 VAL 70 1HG2 VAL 70 -5.561 -4.752 -3.265 482 HG23 VAL 70 2HG2 VAL 70 -4.054 -5.492 -3.806 483 H THR 71 H THR 71 -6.997 -8.641 -6.678 484 HA THR 71 HA THR 71 -8.273 -10.632 -4.932 485 HB THR 71 HB THR 71 -9.061 -10.588 -7.809 486 HG1 THR 71 1HG THR 71 -9.881 -8.651 -7.550 487 HG21 THR 71 3HG2 THR 71 -11.118 -11.533 -6.929 488 HG22 THR 71 1HG2 THR 71 -10.568 -11.253 -5.277 489 HG23 THR 71 2HG2 THR 71 -9.732 -12.423 -6.298 490 H TYR 72 H TYR 72 -7.685 -12.758 -5.293 491 HA TYR 72 HA TYR 72 -5.740 -13.279 -7.428 492 HB2 TYR 72 1HB TYR 72 -4.343 -14.565 -5.826 493 HB3 TYR 72 2HB TYR 72 -4.404 -12.846 -5.454 494 HD1 TYR 72 1HD TYR 72 -5.612 -16.180 -4.432 495 HD2 TYR 72 2HD TYR 72 -5.339 -12.060 -3.403 496 HE1 TYR 72 1HE TYR 72 -6.336 -16.710 -2.142 497 HE2 TYR 72 2HE TYR 72 -6.062 -12.579 -1.110 498 HH TYR 72 HH TYR 72 -6.890 -14.157 0.246 499 H VAL 73 H VAL 73 -5.223 -15.754 -7.414 500 HA VAL 73 HA VAL 73 -7.596 -17.331 -6.739 501 HB VAL 73 HB VAL 73 -6.370 -17.259 -9.500 502 HG11 VAL 73 1HG1 VAL 73 -8.286 -18.833 -10.017 503 HG12 VAL 73 2HG1 VAL 73 -6.955 -19.507 -9.075 504 HG13 VAL 73 3HG1 VAL 73 -8.458 -19.044 -8.275 505 HG21 VAL 73 3HG2 VAL 73 -7.793 -15.532 -9.723 506 HG22 VAL 73 1HG2 VAL 73 -9.030 -16.786 -9.804 507 HG23 VAL 73 2HG2 VAL 73 -8.705 -15.966 -8.277 508 H VAL 74 H VAL 74 -7.065 -19.227 -5.869 509 HA VAL 74 HA VAL 74 -4.349 -20.272 -6.350 510 HB VAL 74 HB VAL 74 -4.437 -21.257 -4.083 511 HG11 VAL 74 1HG1 VAL 74 -4.065 -18.540 -4.788 512 HG12 VAL 74 2HG1 VAL 74 -4.829 -18.582 -3.198 513 HG13 VAL 74 3HG1 VAL 74 -3.315 -19.444 -3.473 514 HG21 VAL 74 3HG2 VAL 74 -6.263 -19.926 -2.636 515 HG22 VAL 74 1HG2 VAL 74 -7.141 -20.071 -4.158 516 HG23 VAL 74 2HG2 VAL 74 -6.559 -21.518 -3.335 517 H LYS 75 H LYS 75 -4.162 -22.336 -6.994 518 HA LYS 75 HA LYS 75 -6.633 -23.866 -7.354 519 HB2 LYS 75 1HB LYS 75 -3.994 -23.785 -8.724 520 HB3 LYS 75 2HB LYS 75 -4.842 -25.325 -8.699 521 HG2 LYS 75 1HG LYS 75 -5.349 -24.112 -10.727 522 HG3 LYS 75 2HG LYS 75 -6.795 -24.258 -9.725 523 HD2 LYS 75 1HD LYS 75 -6.311 -21.959 -8.852 524 HD3 LYS 75 2HD LYS 75 -5.030 -21.836 -10.060 525 HE2 LYS 75 1HE LYS 75 -7.830 -22.552 -10.853 526 HE3 LYS 75 2HE LYS 75 -7.367 -20.869 -10.601 527 HZ1 LYS 75 3HZ LYS 75 -6.609 -22.704 -12.728 528 HZ2 LYS 75 1HZ LYS 75 -5.397 -21.659 -12.179 529 HZ3 LYS 75 2HZ LYS 75 -6.849 -21.030 -12.776 530 H GLU 76 H GLU 76 -3.841 -23.748 -5.413 531 HA GLU 76 HA GLU 76 -4.222 -26.540 -4.564 532 HB2 GLU 76 1HB GLU 76 -1.935 -25.755 -5.390 533 HB3 GLU 76 2HB GLU 76 -1.844 -24.809 -3.911 534 HG2 GLU 76 1HG GLU 76 -0.714 -26.728 -3.341 535 HG3 GLU 76 2HG GLU 76 -2.334 -27.052 -2.726 536 H ARG 77 H ARG 77 -4.364 -27.032 -2.354 537 HA ARG 77 HA ARG 77 -5.200 -24.760 -0.680 538 HB2 ARG 77 1HB ARG 77 -6.467 -26.460 0.632 539 HB3 ARG 77 2HB ARG 77 -7.010 -26.301 -1.033 540 HG2 ARG 77 1HG ARG 77 -5.628 -28.300 -1.596 541 HG3 ARG 77 2HG ARG 77 -5.315 -28.496 0.129 542 HD2 ARG 77 1HD ARG 77 -7.910 -28.405 0.328 543 HD3 ARG 77 2HD ARG 77 -7.872 -28.817 -1.386 544 HE ARG 77 HE ARG 77 -6.254 -30.533 0.259 545 HH11 ARG 77 1HH1 ARG 77 -9.439 -29.959 -1.024 546 HH12 ARG 77 2HH1 ARG 77 -9.933 -31.614 -0.891 547 HH21 ARG 77 1HH2 ARG 77 -6.893 -32.715 0.439 548 HH22 ARG 77 2HH2 ARG 77 -8.485 -33.181 -0.058 549 H GLY 78 H GLY 78 -4.638 -24.780 1.568 550 HA2 GLY 78 1HA GLY 78 -3.225 -26.452 3.089 551 HA3 GLY 78 2HA GLY 78 -1.974 -25.873 1.999 552 H ASP 79 H ASP 79 -0.743 -24.500 3.102 553 HA ASP 79 HA ASP 79 -2.061 -22.530 4.847 554 HB2 ASP 79 1HB ASP 79 0.173 -22.291 5.926 555 HB3 ASP 79 2HB ASP 79 -0.497 -23.914 6.064 556 H TYR 80 H TYR 80 -2.365 -20.667 3.818 557 HA TYR 80 HA TYR 80 -0.272 -19.712 1.983 558 HB2 TYR 80 1HB TYR 80 -3.242 -19.293 2.074 559 HB3 TYR 80 2HB TYR 80 -2.209 -18.124 1.258 560 HD1 TYR 80 2HD TYR 80 -1.007 -18.732 -0.778 561 HD2 TYR 80 1HD TYR 80 -3.582 -21.509 1.162 562 HE1 TYR 80 2HE TYR 80 -1.003 -20.137 -2.796 563 HE2 TYR 80 1HE TYR 80 -3.584 -22.922 -0.851 564 HH TYR 80 HH TYR 80 -2.479 -21.861 -3.843 565 H VAL 81 H VAL 81 0.352 -17.509 2.051 566 HA VAL 81 HA VAL 81 -0.386 -16.053 4.497 567 HB VAL 81 HB VAL 81 2.431 -16.416 3.466 568 HG11 VAL 81 1HG1 VAL 81 3.164 -14.989 5.224 569 HG12 VAL 81 2HG1 VAL 81 1.887 -14.133 4.358 570 HG13 VAL 81 3HG1 VAL 81 1.541 -14.898 5.910 571 HG21 VAL 81 3HG2 VAL 81 2.280 -17.146 6.148 572 HG22 VAL 81 1HG2 VAL 81 0.840 -17.845 5.408 573 HG23 VAL 81 2HG2 VAL 81 2.437 -18.227 4.764 574 H LEU 82 H LEU 82 -0.994 -14.033 4.094 575 HA LEU 82 HA LEU 82 -0.492 -12.909 1.447 576 HB2 LEU 82 1HB LEU 82 -2.769 -12.839 2.105 577 HB3 LEU 82 2HB LEU 82 -2.361 -12.169 3.683 578 HG LEU 82 HG LEU 82 -1.610 -10.085 2.491 579 HD11 LEU 82 1HD1 LEU 82 -1.453 -10.076 0.283 580 HD12 LEU 82 2HD1 LEU 82 -3.187 -10.373 0.159 581 HD13 LEU 82 3HD1 LEU 82 -2.062 -11.730 0.217 582 HD21 LEU 82 3HD2 LEU 82 -3.744 -9.169 2.496 583 HD22 LEU 82 1HD2 LEU 82 -3.910 -10.565 3.561 584 HD23 LEU 82 2HD2 LEU 82 -4.491 -10.651 1.898 585 H ALA 83 H ALA 83 0.636 -11.055 1.074 586 HA ALA 83 HA ALA 83 1.881 -9.752 3.406 587 HB1 ALA 83 3HB ALA 83 3.961 -9.587 2.280 588 HB2 ALA 83 1HB ALA 83 3.432 -11.263 2.123 589 HB3 ALA 83 2HB ALA 83 3.262 -10.152 0.763 590 H VAL 84 H VAL 84 1.222 -7.718 3.552 591 HA VAL 84 HA VAL 84 0.814 -6.186 1.067 592 HB VAL 84 HB VAL 84 -0.804 -5.905 3.604 593 HG11 VAL 84 1HG1 VAL 84 -0.287 -3.994 1.718 594 HG12 VAL 84 2HG1 VAL 84 -1.795 -4.699 1.133 595 HG13 VAL 84 3HG1 VAL 84 -1.706 -4.035 2.765 596 HG21 VAL 84 3HG2 VAL 84 -1.284 -7.369 1.049 597 HG22 VAL 84 1HG2 VAL 84 -1.657 -7.843 2.707 598 HG23 VAL 84 2HG2 VAL 84 -2.648 -6.633 1.892 599 H LYS 85 H LYS 85 2.088 -4.471 0.908 600 HA LYS 85 HA LYS 85 3.231 -3.335 3.375 601 HB2 LYS 85 1HB LYS 85 4.351 -3.589 0.590 602 HB3 LYS 85 2HB LYS 85 5.026 -2.463 1.761 603 HG2 LYS 85 1HG LYS 85 5.428 -4.360 3.294 604 HG3 LYS 85 2HG LYS 85 4.851 -5.457 2.037 605 HD2 LYS 85 1HD LYS 85 7.134 -5.531 1.709 606 HD3 LYS 85 2HD LYS 85 6.654 -4.272 0.569 607 HE2 LYS 85 1HE LYS 85 7.448 -2.561 1.949 608 HE3 LYS 85 2HE LYS 85 7.481 -3.600 3.373 609 HZ1 LYS 85 3HZ LYS 85 9.445 -3.296 1.255 610 HZ2 LYS 85 1HZ LYS 85 9.196 -4.878 1.802 611 HZ3 LYS 85 2HZ LYS 85 9.663 -3.671 2.890 612 H TRP 86 H TRP 86 3.482 -1.059 3.510 613 HA TRP 86 HA TRP 86 1.913 0.499 1.574 614 HB2 TRP 86 1HB TRP 86 0.496 0.087 3.535 615 HB3 TRP 86 2HB TRP 86 1.747 0.748 4.586 616 HD1 TRP 86 HD TRP 86 1.448 3.215 5.187 617 HE1 TRP 86 1HE TRP 86 0.143 5.207 4.212 618 HE3 TRP 86 3HE TRP 86 -0.405 0.988 0.974 619 HZ2 TRP 86 2HZ TRP 86 -1.461 5.762 1.957 620 HZ3 TRP 86 3HZ TRP 86 -1.817 2.319 -0.539 621 HH2 TRP 86 HH TRP 86 -2.333 4.656 -0.056 622 H GLY 87 H GLY 87 3.643 1.485 0.616 623 HA2 GLY 87 1HA GLY 87 5.415 2.923 0.361 624 HA3 GLY 87 2HA GLY 87 4.719 3.785 1.725 625 H GLU 88 H GLU 88 6.775 0.994 0.945 626 HA GLU 88 HA GLU 88 8.547 0.062 2.028 627 HB2 GLU 88 1HB GLU 88 8.825 2.968 2.746 628 HB3 GLU 88 2HB GLU 88 9.975 1.774 3.333 629 HG2 GLU 88 1HG GLU 88 10.314 1.108 0.918 630 HG3 GLU 88 2HG GLU 88 9.409 2.560 0.493 631 H GLU 89 H GLU 89 6.239 -0.498 3.300 632 HA GLU 89 HA GLU 89 7.124 -0.882 6.009 633 HB2 GLU 89 1HB GLU 89 4.675 0.803 5.458 634 HB3 GLU 89 2HB GLU 89 5.085 0.129 7.029 635 HG2 GLU 89 1HG GLU 89 7.270 1.391 6.847 636 HG3 GLU 89 2HG GLU 89 6.555 2.231 5.473 637 H HIS 90 H HIS 90 5.107 -1.899 7.280 638 HA HIS 90 HA HIS 90 3.738 -3.754 5.452 639 HB2 HIS 90 1HB HIS 90 5.365 -4.385 7.895 640 HB3 HIS 90 2HB HIS 90 4.057 -5.454 7.397 641 HD1 HIS 90 1HD HIS 90 4.681 -7.209 5.765 642 HD2 HIS 90 2HD HIS 90 7.349 -4.024 5.716 643 HE1 HIS 90 1HE HIS 90 6.510 -7.888 4.178 644 H ILE 91 H ILE 91 1.666 -3.160 5.608 645 HA ILE 91 HA ILE 91 0.310 -1.774 7.455 646 HB ILE 91 HB ILE 91 -1.738 -2.921 6.840 647 HG12 ILE 91 1HG1 ILE 91 -0.170 -4.935 5.262 648 HG13 ILE 91 2HG1 ILE 91 -0.520 -5.227 6.962 649 HG21 ILE 91 1HG2 ILE 91 -1.587 -2.709 4.397 650 HG22 ILE 91 2HG2 ILE 91 -0.795 -1.372 5.229 651 HG23 ILE 91 3HG2 ILE 91 0.171 -2.665 4.520 652 HD11 ILE 91 3HD1 ILE 91 -2.825 -5.313 6.585 653 HD12 ILE 91 1HD1 ILE 91 -2.679 -4.569 4.993 654 HD13 ILE 91 2HD1 ILE 91 -2.109 -6.218 5.252 655 HA PRO 92 HA PRO 92 0.207 -3.905 11.296 656 HB2 PRO 92 1HB PRO 92 -2.177 -3.049 12.275 657 HB3 PRO 92 2HB PRO 92 -0.751 -2.009 12.172 658 HG2 PRO 92 1HG PRO 92 -3.102 -2.186 10.328 659 HG3 PRO 92 2HG PRO 92 -2.263 -0.747 10.936 660 HD2 PRO 92 1HD PRO 92 -1.825 -1.753 8.460 661 HD3 PRO 92 2HD PRO 92 -0.556 -0.940 9.399 662 H GLY 93 H GLY 93 0.059 -6.083 10.735 663 HA2 GLY 93 1HA GLY 93 -1.724 -7.765 11.609 664 HA3 GLY 93 2HA GLY 93 -2.620 -7.168 10.221 665 H SER 94 H SER 94 0.089 -6.895 8.818 666 HA SER 94 HA SER 94 0.089 -9.619 7.776 667 HB2 SER 94 1HB SER 94 0.042 -8.203 5.958 668 HB3 SER 94 2HB SER 94 0.998 -6.961 6.765 669 HG SER 94 HG SER 94 2.782 -7.887 6.097 670 HA PRO 95 HA PRO 95 1.562 -10.662 6.283 671 HB2 PRO 95 1HB PRO 95 2.339 -13.222 6.743 672 HB3 PRO 95 2HB PRO 95 3.395 -12.017 5.995 673 HG2 PRO 95 1HG PRO 95 3.309 -12.958 8.836 674 HG3 PRO 95 2HG PRO 95 4.716 -12.648 7.802 675 HD2 PRO 95 1HD PRO 95 3.862 -10.882 9.669 676 HD3 PRO 95 2HD PRO 95 4.628 -10.371 8.151 677 H PHE 96 H PHE 96 -0.388 -11.654 6.033 678 HA PHE 96 HA PHE 96 -1.831 -12.331 8.475 679 HB2 PHE 96 1HB PHE 96 -2.660 -11.703 5.657 680 HB3 PHE 96 2HB PHE 96 -3.785 -12.475 6.769 681 HD1 PHE 96 2HD PHE 96 -1.697 -9.466 6.260 682 HD2 PHE 96 1HD PHE 96 -4.932 -11.230 8.391 683 HE1 PHE 96 2HE PHE 96 -2.283 -7.263 7.187 684 HE2 PHE 96 1HE PHE 96 -5.524 -9.030 9.321 685 HZ PHE 96 HZ PHE 96 -4.198 -7.043 8.720 686 H HIS 97 H HIS 97 -2.959 -14.280 8.761 687 HA HIS 97 HA HIS 97 -1.776 -16.534 7.314 688 HB2 HIS 97 1HB HIS 97 -1.608 -16.602 9.750 689 HB3 HIS 97 2HB HIS 97 -3.357 -16.455 9.893 690 HD1 HIS 97 1HD HIS 97 -4.239 -18.638 10.627 691 HD2 HIS 97 2HD HIS 97 -1.204 -19.070 7.823 692 HE1 HIS 97 1HE HIS 97 -4.061 -21.110 10.205 693 H VAL 98 H VAL 98 -2.881 -17.467 5.736 694 HA VAL 98 HA VAL 98 -5.827 -17.362 5.823 695 HB VAL 98 HB VAL 98 -4.013 -17.226 3.414 696 HG11 VAL 98 1HG1 VAL 98 -6.559 -18.407 3.592 697 HG12 VAL 98 2HG1 VAL 98 -6.782 -16.850 2.793 698 HG13 VAL 98 3HG1 VAL 98 -5.643 -18.024 2.135 699 HG21 VAL 98 3HG2 VAL 98 -6.157 -15.275 4.187 700 HG22 VAL 98 1HG2 VAL 98 -4.524 -15.154 4.842 701 HG23 VAL 98 2HG2 VAL 98 -4.786 -15.043 3.102 702 H THR 99 H THR 99 -6.823 -19.264 5.867 703 HA THR 99 HA THR 99 -5.273 -21.669 5.176 704 HB THR 99 HB THR 99 -7.675 -21.414 6.996 705 HG1 THR 99 1HG THR 99 -4.948 -21.998 7.592 706 HG21 THR 99 3HG2 THR 99 -5.957 -23.849 6.820 707 HG22 THR 99 1HG2 THR 99 -7.223 -23.602 5.617 708 HG23 THR 99 2HG2 THR 99 -7.638 -23.695 7.329 709 H VAL 100 H VAL 100 -5.938 -22.964 3.574 710 HA VAL 100 HA VAL 100 -8.585 -22.431 2.387 711 HB VAL 100 HB VAL 100 -6.010 -23.228 1.031 712 HG11 VAL 100 1HG1 VAL 100 -8.730 -22.950 -0.239 713 HG12 VAL 100 2HG1 VAL 100 -7.224 -23.413 -1.033 714 HG13 VAL 100 3HG1 VAL 100 -7.965 -24.490 0.151 715 HG21 VAL 100 3HG2 VAL 100 -5.789 -21.033 0.752 716 HG22 VAL 100 1HG2 VAL 100 -7.239 -21.066 -0.252 717 HG23 VAL 100 2HG2 VAL 100 -7.369 -20.731 1.475 718 HA PRO 101 HA PRO 101 -9.431 -26.652 3.482 719 HB2 PRO 101 1HB PRO 101 -11.841 -26.808 2.242 720 HB3 PRO 101 2HB PRO 101 -11.604 -25.969 3.780 721 HG2 PRO 101 1HG PRO 101 -11.768 -24.841 1.012 722 HG3 PRO 101 2HG PRO 101 -12.504 -24.242 2.509 723 HD2 PRO 101 1HD PRO 101 -10.243 -23.175 1.469 724 HD3 PRO 101 2HD PRO 101 -10.552 -23.240 3.216 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -1.176 18.495 -10.769 2 HA2 GLY 1 1HA GLY 1 -0.192 21.235 -11.283 3 HA3 GLY 1 2HA GLY 1 -0.408 20.567 -9.672 4 H SER 2 H SER 2 1.974 21.665 -11.141 5 HA SER 2 HA SER 2 3.730 19.394 -11.454 6 HB2 SER 2 1HB SER 2 4.288 22.370 -11.500 7 HB3 SER 2 2HB SER 2 5.472 21.119 -11.878 8 HG SER 2 HG SER 2 4.457 21.970 -13.755 9 H SER 3 H SER 3 3.606 22.205 -9.265 10 HA SER 3 HA SER 3 5.664 21.274 -7.559 11 HB2 SER 3 1HB SER 3 3.497 23.346 -7.233 12 HB3 SER 3 2HB SER 3 4.639 22.983 -5.939 13 HG SER 3 HG SER 3 5.443 23.684 -8.564 14 H GLY 4 H GLY 4 5.494 19.381 -6.531 15 HA2 GLY 4 1HA GLY 4 3.254 19.020 -4.692 16 HA3 GLY 4 2HA GLY 4 3.487 17.774 -5.909 17 H SER 5 H SER 5 4.196 18.670 -2.798 18 HA SER 5 HA SER 5 6.275 16.620 -2.624 19 HB2 SER 5 1HB SER 5 6.530 19.444 -1.582 20 HB3 SER 5 2HB SER 5 7.536 18.116 -1.005 21 HG SER 5 HG SER 5 7.749 17.915 -3.540 22 H SER 6 H SER 6 6.453 15.629 -0.576 23 HA SER 6 HA SER 6 4.872 16.415 1.655 24 HB2 SER 6 1HB SER 6 3.217 15.390 -0.087 25 HB3 SER 6 2HB SER 6 3.907 13.850 0.427 26 HG SER 6 HG SER 6 1.961 14.881 1.580 27 H GLY 7 H GLY 7 4.859 14.650 3.367 28 HA2 GLY 7 1HA GLY 7 6.841 12.569 3.083 29 HA3 GLY 7 2HA GLY 7 7.353 13.900 4.110 30 H SER 8 H SER 8 4.469 11.848 3.659 31 HA SER 8 HA SER 8 4.576 11.023 6.424 32 HB2 SER 8 1HB SER 8 2.431 12.875 5.404 33 HB3 SER 8 2HB SER 8 2.132 11.781 6.754 34 HG SER 8 HG SER 8 3.644 14.081 6.643 35 H SER 9 H SER 9 3.778 9.023 6.652 36 HA SER 9 HA SER 9 1.596 7.980 5.179 37 HB2 SER 9 1HB SER 9 2.822 6.296 3.842 38 HB3 SER 9 2HB SER 9 3.199 7.943 3.334 39 HG SER 9 HG SER 9 4.955 6.216 3.826 40 H ASP 10 H ASP 10 0.711 6.815 6.745 41 HA ASP 10 HA ASP 10 2.462 5.147 8.426 42 HB2 ASP 10 1HB ASP 10 -0.221 6.405 9.012 43 HB3 ASP 10 2HB ASP 10 0.527 5.197 10.054 44 H ALA 11 H ALA 11 2.062 2.995 8.642 45 HA ALA 11 HA ALA 11 0.178 1.838 6.738 46 HB1 ALA 11 3HB ALA 11 2.332 0.539 8.402 47 HB2 ALA 11 1HB ALA 11 1.338 -0.276 7.194 48 HB3 ALA 11 2HB ALA 11 2.457 0.998 6.704 49 H SER 12 H SER 12 0.859 1.872 10.202 50 HA SER 12 HA SER 12 -0.873 -0.069 11.105 51 HB2 SER 12 1HB SER 12 0.021 2.543 12.298 52 HB3 SER 12 2HB SER 12 -1.117 1.505 13.156 53 HG SER 12 HG SER 12 1.572 1.219 12.797 54 H LYS 13 H LYS 13 -1.601 3.078 9.825 55 HA LYS 13 HA LYS 13 -4.315 3.137 10.772 56 HB2 LYS 13 1HB LYS 13 -2.959 4.784 8.629 57 HB3 LYS 13 2HB LYS 13 -4.540 5.114 9.324 58 HG2 LYS 13 1HG LYS 13 -1.943 5.105 10.848 59 HG3 LYS 13 2HG LYS 13 -2.782 6.543 10.260 60 HD2 LYS 13 1HD LYS 13 -4.706 6.009 11.656 61 HD3 LYS 13 2HD LYS 13 -3.909 4.536 12.214 62 HE2 LYS 13 1HE LYS 13 -2.495 7.134 12.545 63 HE3 LYS 13 2HE LYS 13 -3.838 6.765 13.626 64 HZ1 LYS 13 3HZ LYS 13 -1.573 4.904 13.193 65 HZ2 LYS 13 1HZ LYS 13 -2.742 4.853 14.416 66 HZ3 LYS 13 2HZ LYS 13 -1.573 6.075 14.414 67 H VAL 14 H VAL 14 -2.644 2.001 7.935 68 HA VAL 14 HA VAL 14 -4.798 1.844 6.145 69 HB VAL 14 HB VAL 14 -2.261 0.237 6.368 70 HG11 VAL 14 1HG1 VAL 14 -4.554 -0.078 4.472 71 HG12 VAL 14 2HG1 VAL 14 -2.905 -0.428 3.947 72 HG13 VAL 14 3HG1 VAL 14 -3.609 -1.316 5.299 73 HG21 VAL 14 3HG2 VAL 14 -1.982 1.508 4.092 74 HG22 VAL 14 1HG2 VAL 14 -3.196 2.584 4.784 75 HG23 VAL 14 2HG2 VAL 14 -1.665 2.328 5.621 76 H THR 15 H THR 15 -6.561 0.625 6.143 77 HA THR 15 HA THR 15 -6.579 -1.821 7.789 78 HB THR 15 HB THR 15 -9.009 -1.508 8.046 79 HG1 THR 15 1HG THR 15 -9.642 0.813 7.457 80 HG21 THR 15 3HG2 THR 15 -7.565 1.011 8.856 81 HG22 THR 15 1HG2 THR 15 -7.338 -0.537 9.668 82 HG23 THR 15 2HG2 THR 15 -8.924 0.235 9.668 83 H SER 16 H SER 16 -7.556 -3.670 6.972 84 HA SER 16 HA SER 16 -8.325 -3.582 4.131 85 HB2 SER 16 1HB SER 16 -7.203 -5.734 3.784 86 HB3 SER 16 2HB SER 16 -6.057 -4.524 4.359 87 HG SER 16 HG SER 16 -5.627 -5.944 5.843 88 H LYS 17 H LYS 17 -10.087 -4.751 3.551 89 HA LYS 17 HA LYS 17 -11.340 -6.441 5.611 90 HB2 LYS 17 1HB LYS 17 -13.481 -5.530 5.184 91 HB3 LYS 17 2HB LYS 17 -12.405 -4.149 5.352 92 HG2 LYS 17 1HG LYS 17 -12.241 -4.377 2.738 93 HG3 LYS 17 2HG LYS 17 -13.791 -5.196 2.940 94 HD2 LYS 17 1HD LYS 17 -14.389 -3.123 4.397 95 HD3 LYS 17 2HD LYS 17 -13.051 -2.359 3.535 96 HE2 LYS 17 1HE LYS 17 -14.800 -1.813 2.158 97 HE3 LYS 17 2HE LYS 17 -14.280 -3.331 1.427 98 HZ1 LYS 17 3HZ LYS 17 -16.046 -4.173 3.265 99 HZ2 LYS 17 1HZ LYS 17 -16.424 -3.881 1.642 100 HZ3 LYS 17 2HZ LYS 17 -16.735 -2.697 2.809 101 H GLY 18 H GLY 18 -12.623 -8.173 4.845 102 HA2 GLY 18 1HA GLY 18 -13.599 -9.079 2.651 103 HA3 GLY 18 2HA GLY 18 -11.937 -8.967 2.092 104 H ALA 19 H ALA 19 -13.108 -11.367 1.911 105 HA ALA 19 HA ALA 19 -12.622 -12.963 4.264 106 HB1 ALA 19 3HB ALA 19 -14.021 -14.368 3.270 107 HB2 ALA 19 1HB ALA 19 -14.122 -13.257 1.904 108 HB3 ALA 19 2HB ALA 19 -12.923 -14.551 1.902 109 H GLY 20 H GLY 20 -11.153 -12.654 1.035 110 HA2 GLY 20 1HA GLY 20 -9.226 -14.544 1.035 111 HA3 GLY 20 2HA GLY 20 -8.937 -12.923 0.424 112 H LEU 21 H LEU 21 -9.184 -11.611 2.981 113 HA LEU 21 HA LEU 21 -6.500 -11.880 3.868 114 HB2 LEU 21 1HB LEU 21 -8.713 -10.487 5.348 115 HB3 LEU 21 2HB LEU 21 -6.986 -10.145 5.406 116 HG LEU 21 HG LEU 21 -8.440 -9.800 2.824 117 HD11 LEU 21 1HD1 LEU 21 -8.673 -7.336 3.702 118 HD12 LEU 21 2HD1 LEU 21 -8.770 -8.137 5.270 119 HD13 LEU 21 3HD1 LEU 21 -9.933 -8.532 4.005 120 HD21 LEU 21 3HD2 LEU 21 -6.001 -8.708 4.164 121 HD22 LEU 21 1HD2 LEU 21 -6.780 -7.802 2.867 122 HD23 LEU 21 2HD2 LEU 21 -6.174 -9.430 2.564 123 H SER 22 H SER 22 -9.611 -12.958 5.128 124 HA SER 22 HA SER 22 -8.438 -14.036 7.537 125 HB2 SER 22 1HB SER 22 -10.811 -13.088 7.307 126 HB3 SER 22 2HB SER 22 -11.217 -14.611 6.515 127 HG SER 22 HG SER 22 -10.062 -15.450 8.585 128 H LYS 23 H LYS 23 -10.138 -15.437 4.732 129 HA LYS 23 HA LYS 23 -8.325 -17.683 4.697 130 HB2 LYS 23 1HB LYS 23 -10.243 -19.338 4.813 131 HB3 LYS 23 2HB LYS 23 -9.785 -18.578 6.332 132 HG2 LYS 23 1HG LYS 23 -11.679 -17.182 6.325 133 HG3 LYS 23 2HG LYS 23 -12.032 -17.540 4.633 134 HD2 LYS 23 1HD LYS 23 -12.754 -19.727 5.142 135 HD3 LYS 23 2HD LYS 23 -12.055 -19.665 6.761 136 HE2 LYS 23 1HE LYS 23 -14.391 -19.405 7.033 137 HE3 LYS 23 2HE LYS 23 -13.684 -17.806 7.263 138 HZ1 LYS 23 3HZ LYS 23 -14.678 -17.009 5.430 139 HZ2 LYS 23 1HZ LYS 23 -15.751 -18.298 5.655 140 HZ3 LYS 23 2HZ LYS 23 -14.480 -18.439 4.548 141 H ALA 24 H ALA 24 -8.749 -19.133 2.852 142 HA ALA 24 HA ALA 24 -10.354 -17.869 0.736 143 HB1 ALA 24 3HB ALA 24 -8.039 -19.101 -0.406 144 HB2 ALA 24 1HB ALA 24 -8.577 -17.425 -0.513 145 HB3 ALA 24 2HB ALA 24 -7.542 -17.936 0.821 146 H PHE 25 H PHE 25 -10.386 -19.455 -1.248 147 HA PHE 25 HA PHE 25 -10.586 -22.233 -0.344 148 HB2 PHE 25 1HB PHE 25 -12.798 -20.668 -1.682 149 HB3 PHE 25 2HB PHE 25 -12.790 -22.423 -1.542 150 HD1 PHE 25 2HD PHE 25 -12.408 -19.401 0.613 151 HD2 PHE 25 1HD PHE 25 -13.910 -23.365 0.224 152 HE1 PHE 25 2HE PHE 25 -13.445 -19.223 2.837 153 HE2 PHE 25 1HE PHE 25 -14.950 -23.192 2.447 154 HZ PHE 25 HZ PHE 25 -14.717 -21.120 3.757 155 H VAL 26 H VAL 26 -10.063 -23.731 -1.863 156 HA VAL 26 HA VAL 26 -8.509 -23.019 -4.056 157 HB VAL 26 HB VAL 26 -10.011 -25.594 -3.568 158 HG11 VAL 26 1HG1 VAL 26 -7.665 -25.182 -5.409 159 HG12 VAL 26 2HG1 VAL 26 -8.658 -26.629 -5.221 160 HG13 VAL 26 3HG1 VAL 26 -9.340 -25.179 -5.960 161 HG21 VAL 26 3HG2 VAL 26 -8.453 -26.035 -2.048 162 HG22 VAL 26 1HG2 VAL 26 -7.189 -25.802 -3.256 163 HG23 VAL 26 2HG2 VAL 26 -7.759 -24.433 -2.300 164 H GLY 27 H GLY 27 -8.910 -22.529 -6.135 165 HA2 GLY 27 1HA GLY 27 -10.069 -22.359 -8.140 166 HA3 GLY 27 2HA GLY 27 -11.405 -23.233 -7.407 167 H GLN 28 H GLN 28 -11.940 -21.601 -5.221 168 HA GLN 28 HA GLN 28 -13.630 -19.682 -6.332 169 HB2 GLN 28 1HB GLN 28 -12.518 -19.931 -3.536 170 HB3 GLN 28 2HB GLN 28 -13.769 -18.779 -3.984 171 HG2 GLN 28 1HG GLN 28 -15.060 -20.826 -4.839 172 HG3 GLN 28 2HG GLN 28 -13.913 -21.765 -3.884 173 HE21 GLN 28 1HE2 GLN 28 -15.660 -22.483 -2.597 174 HE22 GLN 28 2HE2 GLN 28 -16.339 -21.469 -1.375 175 H LYS 29 H LYS 29 -13.539 -17.292 -5.605 176 HA LYS 29 HA LYS 29 -10.838 -16.261 -6.181 177 HB2 LYS 29 1HB LYS 29 -12.755 -15.957 -7.908 178 HB3 LYS 29 2HB LYS 29 -13.355 -14.739 -6.791 179 HG2 LYS 29 1HG LYS 29 -11.323 -13.469 -7.005 180 HG3 LYS 29 2HG LYS 29 -10.599 -14.732 -8.002 181 HD2 LYS 29 1HD LYS 29 -13.180 -13.496 -8.852 182 HD3 LYS 29 2HD LYS 29 -11.673 -12.614 -9.109 183 HE2 LYS 29 1HE LYS 29 -10.774 -14.567 -10.319 184 HE3 LYS 29 2HE LYS 29 -12.320 -15.386 -10.109 185 HZ1 LYS 29 3HZ LYS 29 -13.384 -13.899 -11.526 186 HZ2 LYS 29 1HZ LYS 29 -11.905 -14.183 -12.296 187 HZ3 LYS 29 2HZ LYS 29 -12.146 -12.750 -11.431 188 H SER 30 H SER 30 -9.972 -15.439 -4.397 189 HA SER 30 HA SER 30 -11.685 -14.272 -2.344 190 HB2 SER 30 1HB SER 30 -8.897 -15.319 -2.435 191 HB3 SER 30 2HB SER 30 -9.258 -14.064 -1.249 192 HG SER 30 HG SER 30 -10.982 -16.264 -1.486 193 H SER 31 H SER 31 -11.816 -12.151 -1.910 194 HA SER 31 HA SER 31 -9.923 -10.336 -3.244 195 HB2 SER 31 1HB SER 31 -11.593 -9.001 -4.120 196 HB3 SER 31 2HB SER 31 -12.363 -10.583 -4.235 197 HG SER 31 HG SER 31 -13.096 -9.923 -1.948 198 H PHE 32 H PHE 32 -9.703 -8.242 -2.236 199 HA PHE 32 HA PHE 32 -10.813 -7.860 0.407 200 HB2 PHE 32 1HB PHE 32 -8.593 -7.657 1.498 201 HB3 PHE 32 2HB PHE 32 -8.932 -9.295 0.948 202 HD1 PHE 32 2HD PHE 32 -7.721 -10.256 -0.923 203 HD2 PHE 32 1HD PHE 32 -6.863 -6.330 0.481 204 HE1 PHE 32 2HE PHE 32 -5.604 -10.273 -2.178 205 HE2 PHE 32 1HE PHE 32 -4.746 -6.341 -0.772 206 HZ PHE 32 HZ PHE 32 -4.114 -8.314 -2.103 207 H LEU 33 H LEU 33 -10.961 -5.744 0.928 208 HA LEU 33 HA LEU 33 -9.829 -3.832 -0.990 209 HB2 LEU 33 1HB LEU 33 -12.360 -4.047 -0.369 210 HB3 LEU 33 2HB LEU 33 -11.888 -3.111 1.048 211 HG LEU 33 HG LEU 33 -12.839 -1.727 -0.760 212 HD11 LEU 33 1HD1 LEU 33 -11.429 0.025 -0.376 213 HD12 LEU 33 2HD1 LEU 33 -9.976 -0.944 -0.615 214 HD13 LEU 33 3HD1 LEU 33 -10.888 -1.078 0.889 215 HD21 LEU 33 3HD2 LEU 33 -10.352 -2.139 -2.355 216 HD22 LEU 33 1HD2 LEU 33 -11.936 -1.555 -2.867 217 HD23 LEU 33 2HD2 LEU 33 -11.694 -3.270 -2.534 218 H VAL 34 H VAL 34 -8.515 -2.185 -0.368 219 HA VAL 34 HA VAL 34 -7.713 -2.141 2.469 220 HB VAL 34 HB VAL 34 -6.048 -1.472 0.038 221 HG11 VAL 34 1HG1 VAL 34 -4.322 -1.679 2.138 222 HG12 VAL 34 2HG1 VAL 34 -4.944 -0.162 1.487 223 HG13 VAL 34 3HG1 VAL 34 -5.714 -0.901 2.892 224 HG21 VAL 34 3HG2 VAL 34 -6.413 -3.904 1.655 225 HG22 VAL 34 1HG2 VAL 34 -5.866 -3.717 -0.011 226 HG23 VAL 34 2HG2 VAL 34 -4.739 -3.462 1.321 227 H ASP 35 H ASP 35 -8.527 -0.421 3.461 228 HA ASP 35 HA ASP 35 -9.105 2.012 1.982 229 HB2 ASP 35 1HB ASP 35 -10.834 1.462 3.473 230 HB3 ASP 35 2HB ASP 35 -9.711 1.054 4.767 231 H CYS 36 H CYS 36 -7.440 3.328 1.620 232 HA CYS 36 HA CYS 36 -5.540 3.809 3.820 233 HB2 CYS 36 1HB CYS 36 -3.846 4.295 2.195 234 HB3 CYS 36 2HB CYS 36 -4.594 2.769 1.738 235 HG CYS 36 HG CYS 36 -4.506 5.682 0.091 236 H SER 37 H SER 37 -7.999 5.154 3.716 237 HA SER 37 HA SER 37 -7.814 7.675 2.436 238 HB2 SER 37 1HB SER 37 -9.958 6.672 3.169 239 HB3 SER 37 2HB SER 37 -9.472 6.901 4.849 240 HG SER 37 HG SER 37 -9.162 9.226 3.693 241 H LYS 38 H LYS 38 -7.600 6.874 5.907 242 HA LYS 38 HA LYS 38 -6.095 9.353 6.331 243 HB2 LYS 38 1HB LYS 38 -7.470 7.479 8.260 244 HB3 LYS 38 2HB LYS 38 -6.506 8.862 8.762 245 HG2 LYS 38 1HG LYS 38 -8.879 9.112 6.937 246 HG3 LYS 38 2HG LYS 38 -9.003 9.200 8.696 247 HD2 LYS 38 1HD LYS 38 -7.760 11.173 8.803 248 HD3 LYS 38 2HD LYS 38 -7.077 10.939 7.192 249 HE2 LYS 38 1HE LYS 38 -10.027 11.278 7.516 250 HE3 LYS 38 2HE LYS 38 -8.976 12.692 7.581 251 HZ1 LYS 38 3HZ LYS 38 -9.495 10.873 5.328 252 HZ2 LYS 38 1HZ LYS 38 -8.031 11.718 5.399 253 HZ3 LYS 38 2HZ LYS 38 -9.495 12.564 5.360 254 H ALA 39 H ALA 39 -4.866 7.061 5.068 255 HA ALA 39 HA ALA 39 -3.009 6.112 7.134 256 HB1 ALA 39 3HB ALA 39 -2.519 4.293 5.786 257 HB2 ALA 39 1HB ALA 39 -4.232 4.561 5.462 258 HB3 ALA 39 2HB ALA 39 -3.018 5.121 4.311 259 H GLY 40 H GLY 40 -2.920 7.369 3.791 260 HA2 GLY 40 1HA GLY 40 -1.099 9.378 4.122 261 HA3 GLY 40 2HA GLY 40 -0.108 7.937 3.946 262 H SER 41 H SER 41 0.268 9.835 2.118 263 HA SER 41 HA SER 41 -1.378 9.192 -0.213 264 HB2 SER 41 1HB SER 41 0.466 11.428 0.508 265 HB3 SER 41 2HB SER 41 0.242 11.049 -1.199 266 HG SER 41 HG SER 41 -1.483 12.233 -0.993 267 H ASN 42 H ASN 42 0.268 7.126 0.693 268 HA ASN 42 HA ASN 42 2.543 7.092 -1.151 269 HB2 ASN 42 1HB ASN 42 2.527 6.340 1.395 270 HB3 ASN 42 2HB ASN 42 1.965 4.822 0.700 271 HD21 ASN 42 1HD2 ASN 42 4.626 6.855 1.275 272 HD22 ASN 42 2HD2 ASN 42 5.826 5.906 0.472 273 H MET 43 H MET 43 2.893 4.573 -1.848 274 HA MET 43 HA MET 43 0.505 3.963 -3.439 275 HB2 MET 43 1HB MET 43 1.962 2.814 -4.967 276 HB3 MET 43 2HB MET 43 2.659 4.392 -4.622 277 HG2 MET 43 1HG MET 43 4.331 3.472 -3.253 278 HG3 MET 43 2HG MET 43 3.507 1.918 -3.157 279 HE1 MET 43 3HE MET 43 2.784 0.736 -5.200 280 HE2 MET 43 1HE MET 43 3.673 0.630 -6.720 281 HE3 MET 43 2HE MET 43 4.291 -0.178 -5.279 282 H LEU 44 H LEU 44 -0.287 1.840 -3.609 283 HA LEU 44 HA LEU 44 0.440 0.118 -1.337 284 HB2 LEU 44 1HB LEU 44 -1.916 1.061 -1.567 285 HB3 LEU 44 2HB LEU 44 -2.101 -0.035 -2.934 286 HG LEU 44 HG LEU 44 -1.425 -1.867 -1.210 287 HD11 LEU 44 1HD1 LEU 44 -0.818 -0.736 0.702 288 HD12 LEU 44 2HD1 LEU 44 -2.500 -1.137 1.046 289 HD13 LEU 44 3HD1 LEU 44 -2.074 0.487 0.508 290 HD21 LEU 44 3HD2 LEU 44 -3.604 -1.682 -2.320 291 HD22 LEU 44 1HD2 LEU 44 -4.122 -0.521 -1.098 292 HD23 LEU 44 2HD2 LEU 44 -3.767 -2.186 -0.637 293 H LEU 45 H LEU 45 1.556 -1.647 -1.803 294 HA LEU 45 HA LEU 45 1.140 -2.933 -4.420 295 HB2 LEU 45 1HB LEU 45 3.424 -3.355 -4.669 296 HB3 LEU 45 2HB LEU 45 3.328 -1.679 -4.133 297 HG LEU 45 HG LEU 45 5.164 -2.694 -3.012 298 HD11 LEU 45 1HD1 LEU 45 4.646 -2.227 -0.780 299 HD12 LEU 45 2HD1 LEU 45 2.971 -2.746 -0.965 300 HD13 LEU 45 3HD1 LEU 45 3.516 -1.243 -1.711 301 HD21 LEU 45 3HD2 LEU 45 3.579 -4.747 -1.608 302 HD22 LEU 45 1HD2 LEU 45 5.240 -4.797 -2.198 303 HD23 LEU 45 2HD2 LEU 45 3.899 -5.048 -3.316 304 H ILE 46 H ILE 46 1.893 -5.254 -4.418 305 HA ILE 46 HA ILE 46 1.406 -6.517 -1.802 306 HB ILE 46 HB ILE 46 0.362 -7.509 -4.457 307 HG12 ILE 46 1HG1 ILE 46 -0.862 -5.536 -3.649 308 HG13 ILE 46 2HG1 ILE 46 -1.859 -6.984 -3.560 309 HG21 ILE 46 1HG2 ILE 46 0.268 -8.618 -1.671 310 HG22 ILE 46 2HG2 ILE 46 -0.921 -9.073 -2.891 311 HG23 ILE 46 3HG2 ILE 46 0.789 -9.407 -3.159 312 HD11 ILE 46 3HD1 ILE 46 -0.984 -5.190 -1.458 313 HD12 ILE 46 1HD1 ILE 46 -2.308 -6.354 -1.480 314 HD13 ILE 46 2HD1 ILE 46 -0.673 -6.884 -1.083 315 H GLY 47 H GLY 47 2.388 -8.571 -1.477 316 HA2 GLY 47 1HA GLY 47 4.414 -9.350 -3.459 317 HA3 GLY 47 2HA GLY 47 4.920 -9.020 -1.809 318 H VAL 48 H VAL 48 2.252 -10.837 -3.330 319 HA VAL 48 HA VAL 48 1.847 -12.734 -1.411 320 HB VAL 48 HB VAL 48 1.208 -14.301 -3.297 321 HG11 VAL 48 1HG1 VAL 48 -0.313 -12.648 -2.176 322 HG12 VAL 48 2HG1 VAL 48 0.010 -11.546 -3.516 323 HG13 VAL 48 3HG1 VAL 48 -0.777 -13.096 -3.817 324 HG21 VAL 48 3HG2 VAL 48 1.014 -13.001 -5.529 325 HG22 VAL 48 1HG2 VAL 48 2.310 -12.004 -4.867 326 HG23 VAL 48 2HG2 VAL 48 2.558 -13.735 -5.097 327 H HIS 49 H HIS 49 2.904 -14.441 -0.606 328 HA HIS 49 HA HIS 49 5.578 -14.998 -1.589 329 HB2 HIS 49 1HB HIS 49 4.053 -15.578 0.898 330 HB3 HIS 49 2HB HIS 49 5.342 -16.697 0.464 331 HD1 HIS 49 1HD HIS 49 4.805 -13.032 1.231 332 HD2 HIS 49 2HD HIS 49 7.870 -15.831 1.056 333 HE1 HIS 49 1HE HIS 49 6.829 -11.872 2.171 334 H GLY 50 H GLY 50 6.302 -16.973 -2.358 335 HA2 GLY 50 1HA GLY 50 4.303 -19.084 -2.766 336 HA3 GLY 50 2HA GLY 50 5.127 -18.427 -4.171 337 HA PRO 51 HA PRO 51 8.610 -20.578 -1.624 338 HB2 PRO 51 1HB PRO 51 7.884 -21.855 0.659 339 HB3 PRO 51 2HB PRO 51 8.363 -20.154 0.620 340 HG2 PRO 51 1HG PRO 51 5.619 -21.348 0.678 341 HG3 PRO 51 2HG PRO 51 6.254 -19.959 1.580 342 HD2 PRO 51 1HD PRO 51 4.733 -19.681 -0.643 343 HD3 PRO 51 2HD PRO 51 6.010 -18.526 -0.209 344 H THR 52 H THR 52 5.413 -22.033 -1.655 345 HA THR 52 HA THR 52 6.619 -24.521 -2.672 346 HB THR 52 HB THR 52 5.819 -25.030 -0.466 347 HG1 THR 52 1HG THR 52 4.002 -26.484 -1.104 348 HG21 THR 52 3HG2 THR 52 3.800 -24.389 0.436 349 HG22 THR 52 1HG2 THR 52 3.016 -24.256 -1.138 350 HG23 THR 52 2HG2 THR 52 4.143 -23.008 -0.606 351 H THR 53 H THR 53 3.515 -22.776 -2.450 352 HA THR 53 HA THR 53 3.092 -23.325 -5.304 353 HB THR 53 HB THR 53 0.645 -23.669 -4.806 354 HG1 THR 53 1HG THR 53 0.032 -23.465 -2.799 355 HG21 THR 53 3HG2 THR 53 1.000 -25.883 -4.900 356 HG22 THR 53 1HG2 THR 53 1.878 -25.898 -3.372 357 HG23 THR 53 2HG2 THR 53 2.714 -25.473 -4.865 358 HA PRO 54 HA PRO 54 2.495 -18.872 -4.836 359 HB2 PRO 54 1HB PRO 54 2.749 -18.343 -7.486 360 HB3 PRO 54 2HB PRO 54 4.136 -18.591 -6.419 361 HG2 PRO 54 1HG PRO 54 2.829 -20.514 -8.305 362 HG3 PRO 54 2HG PRO 54 4.555 -20.228 -8.016 363 HD2 PRO 54 1HD PRO 54 3.222 -22.320 -6.929 364 HD3 PRO 54 2HD PRO 54 4.578 -21.521 -6.107 365 H CYS 55 H CYS 55 1.082 -17.321 -6.241 366 HA CYS 55 HA CYS 55 -1.553 -18.555 -6.414 367 HB2 CYS 55 1HB CYS 55 -2.393 -16.238 -6.489 368 HB3 CYS 55 2HB CYS 55 -1.353 -16.511 -5.097 369 HG CYS 55 HG CYS 55 -0.844 -13.947 -6.029 370 H GLU 56 H GLU 56 -2.962 -18.186 -8.212 371 HA GLU 56 HA GLU 56 -1.758 -18.644 -10.709 372 HB2 GLU 56 1HB GLU 56 -4.543 -18.007 -9.815 373 HB3 GLU 56 2HB GLU 56 -4.164 -18.009 -11.531 374 HG2 GLU 56 1HG GLU 56 -3.550 -20.340 -9.745 375 HG3 GLU 56 2HG GLU 56 -5.101 -20.148 -10.560 376 H GLU 57 H GLU 57 -3.170 -15.727 -9.285 377 HA GLU 57 HA GLU 57 -1.477 -13.995 -10.739 378 HB2 GLU 57 1HB GLU 57 -3.127 -12.908 -12.184 379 HB3 GLU 57 2HB GLU 57 -2.924 -14.600 -12.615 380 HG2 GLU 57 1HG GLU 57 -4.970 -15.033 -11.149 381 HG3 GLU 57 2HG GLU 57 -5.225 -13.290 -11.214 382 H VAL 58 H VAL 58 -2.184 -11.656 -10.470 383 HA VAL 58 HA VAL 58 -3.888 -11.279 -8.112 384 HB VAL 58 HB VAL 58 -1.188 -9.957 -8.381 385 HG11 VAL 58 1HG1 VAL 58 -1.708 -9.607 -5.860 386 HG12 VAL 58 2HG1 VAL 58 -2.474 -8.561 -7.057 387 HG13 VAL 58 3HG1 VAL 58 -3.378 -9.899 -6.345 388 HG21 VAL 58 3HG2 VAL 58 -1.975 -12.545 -7.198 389 HG22 VAL 58 1HG2 VAL 58 -0.420 -12.013 -7.839 390 HG23 VAL 58 2HG2 VAL 58 -0.918 -11.530 -6.217 391 H SER 59 H SER 59 -5.481 -10.086 -8.968 392 HA SER 59 HA SER 59 -4.846 -7.957 -10.863 393 HB2 SER 59 1HB SER 59 -6.782 -9.666 -11.123 394 HB3 SER 59 2HB SER 59 -7.621 -8.663 -9.940 395 HG SER 59 HG SER 59 -8.092 -8.003 -12.067 396 H MET 60 H MET 60 -4.254 -6.091 -9.968 397 HA MET 60 HA MET 60 -5.726 -5.152 -7.595 398 HB2 MET 60 1HB MET 60 -2.995 -4.201 -8.445 399 HB3 MET 60 2HB MET 60 -3.789 -3.964 -6.894 400 HG2 MET 60 1HG MET 60 -3.338 -6.094 -6.178 401 HG3 MET 60 2HG MET 60 -3.215 -6.734 -7.815 402 HE1 MET 60 3HE MET 60 -0.046 -3.729 -6.502 403 HE2 MET 60 1HE MET 60 -1.791 -3.492 -6.610 404 HE3 MET 60 2HE MET 60 -1.097 -4.301 -5.205 405 H LYS 61 H LYS 61 -7.027 -3.477 -7.900 406 HA LYS 61 HA LYS 61 -6.377 -1.535 -10.009 407 HB2 LYS 61 1HB LYS 61 -8.849 -3.139 -9.666 408 HB3 LYS 61 2HB LYS 61 -9.062 -1.449 -10.102 409 HG2 LYS 61 1HG LYS 61 -9.020 -2.562 -12.142 410 HG3 LYS 61 2HG LYS 61 -7.386 -1.913 -11.978 411 HD2 LYS 61 1HD LYS 61 -6.857 -4.046 -12.575 412 HD3 LYS 61 2HD LYS 61 -6.984 -4.279 -10.830 413 HE2 LYS 61 1HE LYS 61 -9.444 -4.582 -12.472 414 HE3 LYS 61 2HE LYS 61 -8.233 -5.860 -12.549 415 HZ1 LYS 61 3HZ LYS 61 -10.144 -5.397 -10.554 416 HZ2 LYS 61 1HZ LYS 61 -8.613 -5.190 -9.864 417 HZ3 LYS 61 2HZ LYS 61 -9.001 -6.641 -10.643 418 H HIS 62 H HIS 62 -6.902 0.591 -9.576 419 HA HIS 62 HA HIS 62 -7.505 1.164 -6.773 420 HB2 HIS 62 1HB HIS 62 -5.508 2.220 -7.658 421 HB3 HIS 62 2HB HIS 62 -6.427 2.922 -8.986 422 HD1 HIS 62 1HD HIS 62 -6.599 5.349 -8.587 423 HD2 HIS 62 2HD HIS 62 -7.044 3.178 -5.073 424 HE1 HIS 62 1HE HIS 62 -7.079 7.053 -6.801 425 H VAL 63 H VAL 63 -9.769 0.686 -6.952 426 HA VAL 63 HA VAL 63 -11.568 1.806 -8.732 427 HB VAL 63 HB VAL 63 -13.206 1.669 -6.722 428 HG11 VAL 63 1HG1 VAL 63 -12.613 -0.039 -8.634 429 HG12 VAL 63 2HG1 VAL 63 -11.941 -0.966 -7.290 430 HG13 VAL 63 3HG1 VAL 63 -13.645 -0.507 -7.283 431 HG21 VAL 63 3HG2 VAL 63 -12.517 0.622 -4.775 432 HG22 VAL 63 1HG2 VAL 63 -11.071 -0.052 -5.527 433 HG23 VAL 63 2HG2 VAL 63 -11.144 1.667 -5.140 434 H GLY 64 H GLY 64 -9.702 3.371 -6.364 435 HA2 GLY 64 1HA GLY 64 -9.532 5.759 -6.354 436 HA3 GLY 64 2HA GLY 64 -11.225 5.846 -6.816 437 H ASN 65 H ASN 65 -10.988 7.475 -4.959 438 HA ASN 65 HA ASN 65 -11.430 8.096 -2.813 439 HB2 ASN 65 1HB ASN 65 -13.096 5.664 -3.267 440 HB3 ASN 65 2HB ASN 65 -12.997 6.301 -1.628 441 HD21 ASN 65 1HD2 ASN 65 -15.225 6.178 -3.562 442 HD22 ASN 65 2HD2 ASN 65 -15.793 7.803 -3.709 443 H GLN 66 H GLN 66 -8.995 6.602 -3.256 444 HA GLN 66 HA GLN 66 -7.276 5.737 -2.043 445 HB2 GLN 66 1HB GLN 66 -8.928 6.038 0.450 446 HB3 GLN 66 2HB GLN 66 -7.182 6.150 0.269 447 HG2 GLN 66 1HG GLN 66 -9.035 8.130 -1.007 448 HG3 GLN 66 2HG GLN 66 -8.474 8.307 0.655 449 HE21 GLN 66 1HE2 GLN 66 -7.856 9.064 -2.509 450 HE22 GLN 66 2HE2 GLN 66 -6.194 9.513 -2.367 451 H GLN 67 H GLN 67 -9.524 4.071 -3.022 452 HA GLN 67 HA GLN 67 -9.256 1.799 -1.167 453 HB2 GLN 67 1HB GLN 67 -11.431 2.356 -3.191 454 HB3 GLN 67 2HB GLN 67 -11.333 0.921 -2.179 455 HG2 GLN 67 1HG GLN 67 -11.661 2.216 -0.197 456 HG3 GLN 67 2HG GLN 67 -11.548 3.722 -1.106 457 HE21 GLN 67 1HE2 GLN 67 -13.626 1.559 0.261 458 HE22 GLN 67 2HE2 GLN 67 -15.065 1.959 -0.607 459 H TYR 68 H TYR 68 -8.125 0.102 -1.840 460 HA TYR 68 HA TYR 68 -7.546 -0.130 -4.719 461 HB2 TYR 68 1HB TYR 68 -5.896 -0.861 -2.303 462 HB3 TYR 68 2HB TYR 68 -5.514 -1.442 -3.920 463 HD1 TYR 68 2HD TYR 68 -4.679 0.080 -5.626 464 HD2 TYR 68 1HD TYR 68 -5.573 1.469 -1.705 465 HE1 TYR 68 2HE TYR 68 -3.431 2.150 -6.080 466 HE2 TYR 68 1HE TYR 68 -4.329 3.543 -2.149 467 HH TYR 68 HH TYR 68 -3.696 4.885 -4.301 468 H ASN 69 H ASN 69 -8.666 -1.701 -5.650 469 HA ASN 69 HA ASN 69 -9.648 -3.945 -4.091 470 HB2 ASN 69 1HB ASN 69 -10.870 -2.578 -6.002 471 HB3 ASN 69 2HB ASN 69 -10.059 -3.744 -7.043 472 HD21 ASN 69 1HD2 ASN 69 -10.172 -5.811 -4.945 473 HD22 ASN 69 2HD2 ASN 69 -11.803 -6.380 -4.948 474 H VAL 70 H VAL 70 -8.451 -5.700 -3.829 475 HA VAL 70 HA VAL 70 -6.731 -6.580 -6.054 476 HB VAL 70 HB VAL 70 -6.081 -6.778 -3.110 477 HG11 VAL 70 1HG1 VAL 70 -4.743 -7.841 -5.573 478 HG12 VAL 70 2HG1 VAL 70 -3.822 -7.504 -4.105 479 HG13 VAL 70 3HG1 VAL 70 -5.137 -8.680 -4.073 480 HG21 VAL 70 3HG2 VAL 70 -5.431 -4.809 -5.187 481 HG22 VAL 70 1HG2 VAL 70 -5.421 -4.654 -3.430 482 HG23 VAL 70 2HG2 VAL 70 -4.048 -5.388 -4.259 483 H THR 71 H THR 71 -7.105 -8.585 -6.736 484 HA THR 71 HA THR 71 -8.341 -10.513 -4.894 485 HB THR 71 HB THR 71 -9.194 -10.558 -7.753 486 HG1 THR 71 1HG THR 71 -10.592 -8.983 -5.857 487 HG21 THR 71 3HG2 THR 71 -9.826 -12.353 -6.182 488 HG22 THR 71 1HG2 THR 71 -11.230 -11.482 -6.797 489 HG23 THR 71 2HG2 THR 71 -10.636 -11.159 -5.167 490 H TYR 72 H TYR 72 -7.751 -12.646 -5.184 491 HA TYR 72 HA TYR 72 -5.868 -13.249 -7.352 492 HB2 TYR 72 1HB TYR 72 -4.393 -14.431 -5.771 493 HB3 TYR 72 2HB TYR 72 -4.507 -12.715 -5.397 494 HD1 TYR 72 1HD TYR 72 -5.980 -16.006 -4.443 495 HD2 TYR 72 2HD TYR 72 -5.007 -12.046 -3.228 496 HE1 TYR 72 1HE TYR 72 -6.631 -16.560 -2.136 497 HE2 TYR 72 2HE TYR 72 -5.654 -12.589 -0.918 498 HH TYR 72 HH TYR 72 -7.394 -14.511 0.101 499 H VAL 73 H VAL 73 -5.338 -15.725 -7.237 500 HA VAL 73 HA VAL 73 -7.706 -17.264 -6.458 501 HB VAL 73 HB VAL 73 -6.505 -17.252 -9.228 502 HG11 VAL 73 1HG1 VAL 73 -6.975 -19.444 -9.229 503 HG12 VAL 73 2HG1 VAL 73 -7.967 -19.330 -7.773 504 HG13 VAL 73 3HG1 VAL 73 -8.657 -18.926 -9.346 505 HG21 VAL 73 3HG2 VAL 73 -9.066 -16.308 -8.034 506 HG22 VAL 73 1HG2 VAL 73 -8.051 -15.560 -9.268 507 HG23 VAL 73 2HG2 VAL 73 -9.078 -16.932 -9.684 508 H VAL 74 H VAL 74 -7.166 -19.092 -5.462 509 HA VAL 74 HA VAL 74 -4.397 -20.052 -5.721 510 HB VAL 74 HB VAL 74 -4.859 -21.265 -3.572 511 HG11 VAL 74 1HG1 VAL 74 -3.726 -19.010 -3.789 512 HG12 VAL 74 2HG1 VAL 74 -5.264 -18.297 -3.296 513 HG13 VAL 74 3HG1 VAL 74 -4.409 -19.391 -2.208 514 HG21 VAL 74 3HG2 VAL 74 -6.877 -21.287 -2.627 515 HG22 VAL 74 1HG2 VAL 74 -7.038 -19.537 -2.772 516 HG23 VAL 74 2HG2 VAL 74 -7.494 -20.579 -4.119 517 H LYS 75 H LYS 75 -3.981 -22.023 -6.513 518 HA LYS 75 HA LYS 75 -6.269 -23.695 -7.274 519 HB2 LYS 75 1HB LYS 75 -3.417 -23.638 -8.272 520 HB3 LYS 75 2HB LYS 75 -4.616 -24.815 -8.790 521 HG2 LYS 75 1HG LYS 75 -5.135 -21.881 -9.059 522 HG3 LYS 75 2HG LYS 75 -4.182 -22.753 -10.262 523 HD2 LYS 75 1HD LYS 75 -5.979 -24.061 -10.925 524 HD3 LYS 75 2HD LYS 75 -6.853 -23.801 -9.414 525 HE2 LYS 75 1HE LYS 75 -7.129 -21.408 -10.079 526 HE3 LYS 75 2HE LYS 75 -6.427 -21.818 -11.644 527 HZ1 LYS 75 3HZ LYS 75 -9.082 -22.043 -10.868 528 HZ2 LYS 75 1HZ LYS 75 -8.503 -23.624 -11.037 529 HZ3 LYS 75 2HZ LYS 75 -8.389 -22.539 -12.329 530 H GLU 76 H GLU 76 -4.842 -23.526 -4.593 531 HA GLU 76 HA GLU 76 -4.792 -26.374 -4.125 532 HB2 GLU 76 1HB GLU 76 -2.419 -25.498 -4.855 533 HB3 GLU 76 2HB GLU 76 -2.352 -24.915 -3.198 534 HG2 GLU 76 1HG GLU 76 -2.574 -27.113 -2.328 535 HG3 GLU 76 2HG GLU 76 -2.950 -27.769 -3.920 536 H ARG 77 H ARG 77 -4.548 -26.876 -1.790 537 HA ARG 77 HA ARG 77 -5.678 -24.695 -0.170 538 HB2 ARG 77 1HB ARG 77 -6.594 -26.505 1.270 539 HB3 ARG 77 2HB ARG 77 -7.210 -26.544 -0.377 540 HG2 ARG 77 1HG ARG 77 -4.836 -28.206 0.282 541 HG3 ARG 77 2HG ARG 77 -6.422 -28.730 0.851 542 HD2 ARG 77 1HD ARG 77 -6.157 -27.891 -1.988 543 HD3 ARG 77 2HD ARG 77 -5.472 -29.446 -1.516 544 HE ARG 77 HE ARG 77 -8.184 -29.050 -0.640 545 HH11 ARG 77 1HH1 ARG 77 -6.132 -30.143 -3.232 546 HH12 ARG 77 2HH1 ARG 77 -7.339 -31.174 -3.927 547 HH21 ARG 77 1HH2 ARG 77 -9.781 -30.403 -1.546 548 HH22 ARG 77 2HH2 ARG 77 -9.415 -31.320 -2.968 549 H GLY 78 H GLY 78 -5.280 -25.267 2.313 550 HA2 GLY 78 1HA GLY 78 -3.546 -26.271 3.787 551 HA3 GLY 78 2HA GLY 78 -2.376 -25.751 2.583 552 H ASP 79 H ASP 79 -1.216 -24.511 4.066 553 HA ASP 79 HA ASP 79 -2.621 -22.233 5.268 554 HB2 ASP 79 1HB ASP 79 -0.580 -21.952 6.633 555 HB3 ASP 79 2HB ASP 79 -1.281 -23.558 6.813 556 H TYR 80 H TYR 80 -2.636 -20.434 4.105 557 HA TYR 80 HA TYR 80 -0.429 -19.902 2.251 558 HB2 TYR 80 1HB TYR 80 -3.279 -19.004 2.415 559 HB3 TYR 80 2HB TYR 80 -2.111 -17.998 1.565 560 HD1 TYR 80 1HD TYR 80 -3.726 -21.320 1.617 561 HD2 TYR 80 2HD TYR 80 -1.296 -18.611 -0.587 562 HE1 TYR 80 1HE TYR 80 -3.985 -22.726 -0.385 563 HE2 TYR 80 2HE TYR 80 -1.549 -20.008 -2.595 564 HH TYR 80 HH TYR 80 -2.761 -21.706 -3.516 565 H VAL 81 H VAL 81 0.286 -17.621 2.045 566 HA VAL 81 HA VAL 81 0.126 -16.123 4.566 567 HB VAL 81 HB VAL 81 2.686 -16.737 3.083 568 HG11 VAL 81 1HG1 VAL 81 3.831 -15.322 4.555 569 HG12 VAL 81 2HG1 VAL 81 2.401 -14.400 4.087 570 HG13 VAL 81 3HG1 VAL 81 2.458 -15.207 5.655 571 HG21 VAL 81 3HG2 VAL 81 3.094 -18.355 4.571 572 HG22 VAL 81 1HG2 VAL 81 2.537 -17.368 5.922 573 HG23 VAL 81 2HG2 VAL 81 1.374 -18.272 4.952 574 H LEU 82 H LEU 82 -0.753 -14.235 4.043 575 HA LEU 82 HA LEU 82 -0.230 -13.061 1.420 576 HB2 LEU 82 1HB LEU 82 -2.524 -13.099 1.950 577 HB3 LEU 82 2HB LEU 82 -2.236 -12.503 3.583 578 HG LEU 82 HG LEU 82 -1.514 -10.322 2.520 579 HD11 LEU 82 1HD1 LEU 82 -2.285 -9.877 0.260 580 HD12 LEU 82 2HD1 LEU 82 -2.838 -11.544 0.102 581 HD13 LEU 82 3HD1 LEU 82 -1.116 -11.198 0.268 582 HD21 LEU 82 3HD2 LEU 82 -3.896 -9.652 2.034 583 HD22 LEU 82 1HD2 LEU 82 -3.620 -10.414 3.601 584 HD23 LEU 82 2HD2 LEU 82 -4.336 -11.343 2.284 585 H ALA 83 H ALA 83 1.046 -11.346 1.114 586 HA ALA 83 HA ALA 83 2.025 -9.912 3.498 587 HB1 ALA 83 3HB ALA 83 4.140 -9.578 2.338 588 HB2 ALA 83 1HB ALA 83 3.763 -11.296 2.475 589 HB3 ALA 83 2HB ALA 83 3.525 -10.460 0.939 590 H VAL 84 H VAL 84 1.127 -7.961 3.577 591 HA VAL 84 HA VAL 84 0.821 -6.456 1.059 592 HB VAL 84 HB VAL 84 -0.852 -6.165 3.558 593 HG11 VAL 84 1HG1 VAL 84 -2.268 -4.736 2.142 594 HG12 VAL 84 2HG1 VAL 84 -0.639 -4.083 2.329 595 HG13 VAL 84 3HG1 VAL 84 -1.098 -4.896 0.832 596 HG21 VAL 84 3HG2 VAL 84 -2.329 -6.982 1.249 597 HG22 VAL 84 1HG2 VAL 84 -1.002 -8.110 1.526 598 HG23 VAL 84 2HG2 VAL 84 -2.169 -7.790 2.808 599 H LYS 85 H LYS 85 2.201 -4.829 0.898 600 HA LYS 85 HA LYS 85 3.204 -3.566 3.359 601 HB2 LYS 85 1HB LYS 85 4.394 -3.935 0.626 602 HB3 LYS 85 2HB LYS 85 4.990 -2.675 1.699 603 HG2 LYS 85 1HG LYS 85 5.401 -4.444 3.415 604 HG3 LYS 85 2HG LYS 85 4.999 -5.643 2.183 605 HD2 LYS 85 1HD LYS 85 7.290 -5.552 1.984 606 HD3 LYS 85 2HD LYS 85 6.798 -4.362 0.777 607 HE2 LYS 85 1HE LYS 85 7.483 -2.581 2.059 608 HE3 LYS 85 2HE LYS 85 7.287 -3.460 3.575 609 HZ1 LYS 85 3HZ LYS 85 9.228 -4.872 2.673 610 HZ2 LYS 85 1HZ LYS 85 9.561 -3.352 3.338 611 HZ3 LYS 85 2HZ LYS 85 9.520 -3.550 1.659 612 H TRP 86 H TRP 86 3.418 -1.281 3.441 613 HA TRP 86 HA TRP 86 1.829 0.192 1.451 614 HB2 TRP 86 1HB TRP 86 0.349 -0.039 3.305 615 HB3 TRP 86 2HB TRP 86 1.623 0.347 4.458 616 HD1 TRP 86 HD TRP 86 1.415 2.707 5.397 617 HE1 TRP 86 1HE TRP 86 0.481 4.958 4.568 618 HE3 TRP 86 3HE TRP 86 -0.062 1.297 0.710 619 HZ2 TRP 86 2HZ TRP 86 -0.723 5.997 2.237 620 HZ3 TRP 86 3HZ TRP 86 -1.097 2.980 -0.756 621 HH2 TRP 86 HH TRP 86 -1.420 5.281 -0.007 622 H GLY 87 H GLY 87 3.602 1.095 0.452 623 HA2 GLY 87 1HA GLY 87 5.388 2.509 0.145 624 HA3 GLY 87 2HA GLY 87 4.616 3.488 1.383 625 H GLU 88 H GLU 88 6.709 0.637 1.006 626 HA GLU 88 HA GLU 88 8.478 -0.119 2.220 627 HB2 GLU 88 1HB GLU 88 8.614 2.823 2.864 628 HB3 GLU 88 2HB GLU 88 9.810 1.673 3.446 629 HG2 GLU 88 1HG GLU 88 9.970 1.032 0.911 630 HG3 GLU 88 2HG GLU 88 9.301 2.647 0.683 631 H GLU 89 H GLU 89 6.135 -0.719 3.380 632 HA GLU 89 HA GLU 89 6.851 -0.932 6.146 633 HB2 GLU 89 1HB GLU 89 4.456 0.736 5.367 634 HB3 GLU 89 2HB GLU 89 4.717 0.096 6.983 635 HG2 GLU 89 1HG GLU 89 6.967 1.321 6.889 636 HG3 GLU 89 2HG GLU 89 6.275 2.190 5.521 637 H HIS 90 H HIS 90 4.949 -2.028 7.381 638 HA HIS 90 HA HIS 90 3.599 -3.916 5.567 639 HB2 HIS 90 1HB HIS 90 5.187 -4.460 8.057 640 HB3 HIS 90 2HB HIS 90 3.905 -5.561 7.563 641 HD1 HIS 90 1HD HIS 90 4.502 -7.274 5.851 642 HD2 HIS 90 2HD HIS 90 7.291 -4.200 6.046 643 HE1 HIS 90 1HE HIS 90 6.393 -7.985 4.352 644 H ILE 91 H ILE 91 1.484 -3.593 5.699 645 HA ILE 91 HA ILE 91 0.089 -2.112 7.522 646 HB ILE 91 HB ILE 91 -1.935 -3.260 6.826 647 HG12 ILE 91 1HG1 ILE 91 -0.264 -5.226 5.279 648 HG13 ILE 91 2HG1 ILE 91 -0.758 -5.561 6.934 649 HG21 ILE 91 1HG2 ILE 91 -1.311 -1.724 5.216 650 HG22 ILE 91 2HG2 ILE 91 0.128 -2.633 4.758 651 HG23 ILE 91 3HG2 ILE 91 -1.467 -3.205 4.273 652 HD11 ILE 91 3HD1 ILE 91 -3.093 -5.376 6.287 653 HD12 ILE 91 1HD1 ILE 91 -2.612 -5.006 4.631 654 HD13 ILE 91 2HD1 ILE 91 -2.257 -6.591 5.319 655 HA PRO 92 HA PRO 92 -0.100 -4.330 11.310 656 HB2 PRO 92 1HB PRO 92 -2.503 -3.488 12.253 657 HB3 PRO 92 2HB PRO 92 -1.071 -2.451 12.208 658 HG2 PRO 92 1HG PRO 92 -3.380 -2.576 10.306 659 HG3 PRO 92 2HG PRO 92 -2.550 -1.155 10.966 660 HD2 PRO 92 1HD PRO 92 -2.058 -2.106 8.479 661 HD3 PRO 92 2HD PRO 92 -0.809 -1.319 9.465 662 H GLY 93 H GLY 93 -0.237 -6.480 10.542 663 HA2 GLY 93 1HA GLY 93 -2.084 -8.166 11.389 664 HA3 GLY 93 2HA GLY 93 -2.893 -7.550 9.956 665 H SER 94 H SER 94 0.080 -7.325 8.930 666 HA SER 94 HA SER 94 0.072 -10.030 7.794 667 HB2 SER 94 1HB SER 94 0.157 -8.635 5.970 668 HB3 SER 94 2HB SER 94 1.017 -7.367 6.844 669 HG SER 94 HG SER 94 2.878 -8.273 6.359 670 HA PRO 95 HA PRO 95 1.657 -11.048 6.386 671 HB2 PRO 95 1HB PRO 95 2.417 -13.609 6.871 672 HB3 PRO 95 2HB PRO 95 3.514 -12.390 6.212 673 HG2 PRO 95 1HG PRO 95 3.236 -13.364 9.029 674 HG3 PRO 95 2HG PRO 95 4.710 -13.034 8.100 675 HD2 PRO 95 1HD PRO 95 3.716 -11.294 9.922 676 HD3 PRO 95 2HD PRO 95 4.583 -10.762 8.467 677 H PHE 96 H PHE 96 -0.387 -11.690 6.121 678 HA PHE 96 HA PHE 96 -1.963 -12.476 8.394 679 HB2 PHE 96 1HB PHE 96 -2.506 -11.797 5.542 680 HB3 PHE 96 2HB PHE 96 -3.710 -12.748 6.406 681 HD1 PHE 96 1HD PHE 96 -4.919 -11.804 8.296 682 HD2 PHE 96 2HD PHE 96 -2.105 -9.496 6.089 683 HE1 PHE 96 1HE PHE 96 -5.828 -9.747 9.295 684 HE2 PHE 96 2HE PHE 96 -3.009 -7.436 7.084 685 HZ PHE 96 HZ PHE 96 -4.872 -7.560 8.690 686 H HIS 97 H HIS 97 -2.978 -14.432 8.755 687 HA HIS 97 HA HIS 97 -1.765 -16.715 7.382 688 HB2 HIS 97 1HB HIS 97 -1.585 -16.746 9.800 689 HB3 HIS 97 2HB HIS 97 -3.325 -16.536 9.967 690 HD1 HIS 97 1HD HIS 97 -4.099 -18.681 10.950 691 HD2 HIS 97 2HD HIS 97 -1.462 -19.270 7.793 692 HE1 HIS 97 1HE HIS 97 -4.051 -21.166 10.569 693 H VAL 98 H VAL 98 -2.906 -17.082 5.549 694 HA VAL 98 HA VAL 98 -5.829 -17.149 5.677 695 HB VAL 98 HB VAL 98 -3.959 -17.321 3.310 696 HG11 VAL 98 1HG1 VAL 98 -6.155 -18.586 3.125 697 HG12 VAL 98 2HG1 VAL 98 -6.947 -17.011 3.204 698 HG13 VAL 98 3HG1 VAL 98 -5.833 -17.374 1.886 699 HG21 VAL 98 3HG2 VAL 98 -5.139 -15.101 2.792 700 HG22 VAL 98 1HG2 VAL 98 -5.621 -15.119 4.488 701 HG23 VAL 98 2HG2 VAL 98 -3.911 -15.106 4.058 702 H THR 99 H THR 99 -6.593 -19.034 6.405 703 HA THR 99 HA THR 99 -5.260 -21.531 5.701 704 HB THR 99 HB THR 99 -7.616 -21.027 7.530 705 HG1 THR 99 1HG THR 99 -5.944 -21.588 9.128 706 HG21 THR 99 3HG2 THR 99 -6.674 -23.437 6.348 707 HG22 THR 99 1HG2 THR 99 -7.950 -23.228 7.546 708 HG23 THR 99 2HG2 THR 99 -6.284 -23.479 8.067 709 H VAL 100 H VAL 100 -5.929 -22.824 4.119 710 HA VAL 100 HA VAL 100 -8.596 -22.344 2.961 711 HB VAL 100 HB VAL 100 -6.183 -23.555 1.605 712 HG11 VAL 100 1HG1 VAL 100 -7.441 -23.565 -0.388 713 HG12 VAL 100 2HG1 VAL 100 -8.503 -24.252 0.842 714 HG13 VAL 100 3HG1 VAL 100 -8.721 -22.581 0.321 715 HG21 VAL 100 3HG2 VAL 100 -6.353 -20.973 2.253 716 HG22 VAL 100 1HG2 VAL 100 -5.631 -21.528 0.743 717 HG23 VAL 100 2HG2 VAL 100 -7.294 -20.941 0.762 718 HA PRO 101 HA PRO 101 -9.744 -26.402 4.263 719 HB2 PRO 101 1HB PRO 101 -11.899 -26.724 2.645 720 HB3 PRO 101 2HB PRO 101 -11.915 -25.676 4.068 721 HG2 PRO 101 1HG PRO 101 -11.552 -24.951 1.187 722 HG3 PRO 101 2HG PRO 101 -12.524 -24.143 2.430 723 HD2 PRO 101 1HD PRO 101 -10.085 -23.243 1.675 724 HD3 PRO 101 2HD PRO 101 -10.700 -23.058 3.330 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.406 10.298 -15.525 2 HA2 GLY 1 1HA GLY 1 1.942 12.097 -16.220 3 HA3 GLY 1 2HA GLY 1 0.581 11.134 -15.665 4 H SER 2 H SER 2 0.836 10.516 -13.219 5 HA SER 2 HA SER 2 1.838 12.838 -11.724 6 HB2 SER 2 1HB SER 2 -0.943 11.717 -11.739 7 HB3 SER 2 2HB SER 2 -0.310 12.452 -10.266 8 HG SER 2 HG SER 2 -1.258 14.086 -11.383 9 H SER 3 H SER 3 2.675 12.403 -9.725 10 HA SER 3 HA SER 3 2.636 9.587 -8.858 11 HB2 SER 3 1HB SER 3 4.973 9.926 -8.046 12 HB3 SER 3 2HB SER 3 4.820 10.051 -9.798 13 HG SER 3 HG SER 3 5.416 12.065 -9.695 14 H GLY 4 H GLY 4 3.329 12.909 -7.765 15 HA2 GLY 4 1HA GLY 4 1.882 13.717 -5.913 16 HA3 GLY 4 2HA GLY 4 2.171 12.161 -5.150 17 H SER 5 H SER 5 2.669 14.482 -3.781 18 HA SER 5 HA SER 5 5.580 14.838 -3.893 19 HB2 SER 5 1HB SER 5 3.974 16.834 -3.918 20 HB3 SER 5 2HB SER 5 3.660 16.461 -2.224 21 HG SER 5 HG SER 5 5.313 17.941 -2.286 22 H SER 6 H SER 6 6.790 13.741 -2.514 23 HA SER 6 HA SER 6 6.043 11.925 -0.665 24 HB2 SER 6 1HB SER 6 8.229 12.276 0.454 25 HB3 SER 6 2HB SER 6 8.376 12.240 -1.303 26 HG SER 6 HG SER 6 7.988 14.714 -0.067 27 H GLY 7 H GLY 7 4.832 11.974 1.102 28 HA2 GLY 7 1HA GLY 7 4.971 14.352 2.838 29 HA3 GLY 7 2HA GLY 7 3.413 13.699 2.353 30 H SER 8 H SER 8 2.529 12.778 4.082 31 HA SER 8 HA SER 8 4.233 11.075 5.778 32 HB2 SER 8 1HB SER 8 1.671 12.530 6.479 33 HB3 SER 8 2HB SER 8 2.559 11.464 7.568 34 HG SER 8 HG SER 8 4.381 13.052 6.860 35 H SER 9 H SER 9 3.925 8.972 5.554 36 HA SER 9 HA SER 9 1.223 7.994 4.917 37 HB2 SER 9 1HB SER 9 2.135 6.343 3.398 38 HB3 SER 9 2HB SER 9 2.699 7.939 2.901 39 HG SER 9 HG SER 9 4.681 7.491 3.895 40 H ASP 10 H ASP 10 0.572 6.959 6.686 41 HA ASP 10 HA ASP 10 2.513 5.365 8.206 42 HB2 ASP 10 1HB ASP 10 0.886 7.199 9.205 43 HB3 ASP 10 2HB ASP 10 -0.263 5.863 9.190 44 H ALA 11 H ALA 11 2.272 3.201 8.511 45 HA ALA 11 HA ALA 11 0.426 1.841 6.731 46 HB1 ALA 11 3HB ALA 11 1.662 -0.212 7.575 47 HB2 ALA 11 1HB ALA 11 2.608 0.965 6.663 48 HB3 ALA 11 2HB ALA 11 2.728 0.909 8.422 49 H SER 12 H SER 12 1.151 1.920 10.208 50 HA SER 12 HA SER 12 -0.662 0.046 11.111 51 HB2 SER 12 1HB SER 12 0.459 2.550 12.325 52 HB3 SER 12 2HB SER 12 -0.776 1.635 13.189 53 HG SER 12 HG SER 12 1.409 0.242 12.145 54 H LYS 13 H LYS 13 -1.283 3.079 9.666 55 HA LYS 13 HA LYS 13 -3.943 3.367 10.775 56 HB2 LYS 13 1HB LYS 13 -2.501 4.897 8.603 57 HB3 LYS 13 2HB LYS 13 -4.098 5.305 9.218 58 HG2 LYS 13 1HG LYS 13 -1.494 5.363 10.722 59 HG3 LYS 13 2HG LYS 13 -2.504 6.736 10.261 60 HD2 LYS 13 1HD LYS 13 -4.324 5.725 11.684 61 HD3 LYS 13 2HD LYS 13 -3.115 4.586 12.281 62 HE2 LYS 13 1HE LYS 13 -1.733 6.540 12.988 63 HE3 LYS 13 2HE LYS 13 -3.076 7.590 12.537 64 HZ1 LYS 13 3HZ LYS 13 -4.291 6.957 14.319 65 HZ2 LYS 13 1HZ LYS 13 -2.762 6.662 14.980 66 HZ3 LYS 13 2HZ LYS 13 -3.671 5.383 14.348 67 H VAL 14 H VAL 14 -2.432 2.196 7.840 68 HA VAL 14 HA VAL 14 -4.636 2.098 6.142 69 HB VAL 14 HB VAL 14 -2.253 0.256 6.326 70 HG11 VAL 14 1HG1 VAL 14 -4.667 0.079 4.686 71 HG12 VAL 14 2HG1 VAL 14 -3.166 0.047 3.758 72 HG13 VAL 14 3HG1 VAL 14 -3.440 -1.139 5.035 73 HG21 VAL 14 3HG2 VAL 14 -1.818 2.630 5.773 74 HG22 VAL 14 1HG2 VAL 14 -1.402 1.527 4.460 75 HG23 VAL 14 2HG2 VAL 14 -2.889 2.473 4.381 76 H THR 15 H THR 15 -6.418 0.886 6.051 77 HA THR 15 HA THR 15 -6.599 -1.444 7.850 78 HB THR 15 HB THR 15 -9.046 -1.014 7.948 79 HG1 THR 15 1HG THR 15 -9.538 1.297 7.305 80 HG21 THR 15 3HG2 THR 15 -8.926 0.881 9.480 81 HG22 THR 15 1HG2 THR 15 -7.342 1.317 8.839 82 HG23 THR 15 2HG2 THR 15 -7.550 -0.196 9.721 83 H SER 16 H SER 16 -7.657 -3.290 7.112 84 HA SER 16 HA SER 16 -8.378 -3.335 4.261 85 HB2 SER 16 1HB SER 16 -7.220 -5.434 3.941 86 HB3 SER 16 2HB SER 16 -6.081 -4.267 4.611 87 HG SER 16 HG SER 16 -6.823 -5.262 6.722 88 H LYS 17 H LYS 17 -10.065 -4.664 3.700 89 HA LYS 17 HA LYS 17 -11.336 -6.212 5.852 90 HB2 LYS 17 1HB LYS 17 -13.558 -5.432 4.937 91 HB3 LYS 17 2HB LYS 17 -12.619 -4.211 5.787 92 HG2 LYS 17 1HG LYS 17 -11.755 -3.673 3.357 93 HG3 LYS 17 2HG LYS 17 -13.283 -4.430 2.901 94 HD2 LYS 17 1HD LYS 17 -13.976 -2.263 3.125 95 HD3 LYS 17 2HD LYS 17 -14.227 -2.826 4.779 96 HE2 LYS 17 1HE LYS 17 -11.581 -1.676 4.030 97 HE3 LYS 17 2HE LYS 17 -12.942 -0.584 4.282 98 HZ1 LYS 17 3HZ LYS 17 -11.469 -2.183 6.207 99 HZ2 LYS 17 1HZ LYS 17 -13.143 -2.118 6.440 100 HZ3 LYS 17 2HZ LYS 17 -12.239 -0.689 6.402 101 H GLY 18 H GLY 18 -13.161 -7.621 4.886 102 HA2 GLY 18 1HA GLY 18 -13.955 -8.834 2.956 103 HA3 GLY 18 2HA GLY 18 -12.378 -8.597 2.217 104 H ALA 19 H ALA 19 -13.620 -11.092 2.367 105 HA ALA 19 HA ALA 19 -12.491 -12.559 4.585 106 HB1 ALA 19 3HB ALA 19 -13.849 -14.254 3.975 107 HB2 ALA 19 1HB ALA 19 -14.671 -12.983 3.068 108 HB3 ALA 19 2HB ALA 19 -13.520 -14.044 2.255 109 H GLY 20 H GLY 20 -11.380 -11.474 1.587 110 HA2 GLY 20 1HA GLY 20 -9.697 -13.640 0.848 111 HA3 GLY 20 2HA GLY 20 -9.547 -11.979 0.295 112 H LEU 21 H LEU 21 -9.551 -11.837 3.574 113 HA LEU 21 HA LEU 21 -6.615 -12.048 3.713 114 HB2 LEU 21 1HB LEU 21 -8.294 -10.148 5.328 115 HB3 LEU 21 2HB LEU 21 -6.541 -10.163 5.149 116 HG LEU 21 HG LEU 21 -8.207 -9.699 2.725 117 HD11 LEU 21 1HD1 LEU 21 -8.064 -7.221 3.314 118 HD12 LEU 21 2HD1 LEU 21 -7.825 -7.754 4.978 119 HD13 LEU 21 3HD1 LEU 21 -9.307 -8.178 4.121 120 HD21 LEU 21 3HD2 LEU 21 -6.247 -8.062 2.394 121 HD22 LEU 21 1HD2 LEU 21 -5.931 -9.792 2.256 122 HD23 LEU 21 2HD2 LEU 21 -5.491 -8.931 3.731 123 H SER 22 H SER 22 -9.374 -13.462 4.710 124 HA SER 22 HA SER 22 -8.282 -14.172 7.353 125 HB2 SER 22 1HB SER 22 -10.813 -15.068 7.519 126 HB3 SER 22 2HB SER 22 -10.356 -13.420 7.949 127 HG SER 22 HG SER 22 -12.182 -13.911 6.334 128 H LYS 23 H LYS 23 -9.364 -15.361 4.276 129 HA LYS 23 HA LYS 23 -8.016 -17.815 4.544 130 HB2 LYS 23 1HB LYS 23 -9.989 -19.337 4.531 131 HB3 LYS 23 2HB LYS 23 -9.781 -18.467 6.046 132 HG2 LYS 23 1HG LYS 23 -11.530 -16.904 5.411 133 HG3 LYS 23 2HG LYS 23 -11.718 -17.727 3.861 134 HD2 LYS 23 1HD LYS 23 -12.674 -19.606 4.831 135 HD3 LYS 23 2HD LYS 23 -11.992 -19.255 6.421 136 HE2 LYS 23 1HE LYS 23 -14.399 -18.851 6.383 137 HE3 LYS 23 2HE LYS 23 -13.506 -17.356 6.658 138 HZ1 LYS 23 3HZ LYS 23 -13.725 -17.318 4.010 139 HZ2 LYS 23 1HZ LYS 23 -14.860 -16.608 5.045 140 HZ3 LYS 23 2HZ LYS 23 -15.150 -18.144 4.399 141 H ALA 24 H ALA 24 -8.824 -19.403 2.732 142 HA ALA 24 HA ALA 24 -9.979 -18.022 0.451 143 HB1 ALA 24 3HB ALA 24 -7.876 -19.030 -0.858 144 HB2 ALA 24 1HB ALA 24 -7.912 -17.387 -0.217 145 HB3 ALA 24 2HB ALA 24 -7.104 -18.669 0.687 146 H PHE 25 H PHE 25 -10.497 -19.457 -1.316 147 HA PHE 25 HA PHE 25 -10.579 -22.293 -0.525 148 HB2 PHE 25 1HB PHE 25 -12.740 -20.631 -1.824 149 HB3 PHE 25 2HB PHE 25 -12.780 -22.390 -1.767 150 HD1 PHE 25 2HD PHE 25 -12.403 -19.451 0.493 151 HD2 PHE 25 1HD PHE 25 -13.860 -23.417 -0.017 152 HE1 PHE 25 2HE PHE 25 -13.447 -19.350 2.718 153 HE2 PHE 25 1HE PHE 25 -14.908 -23.322 2.207 154 HZ PHE 25 HZ PHE 25 -14.701 -21.287 3.578 155 H VAL 26 H VAL 26 -10.061 -23.779 -2.052 156 HA VAL 26 HA VAL 26 -8.509 -23.055 -4.249 157 HB VAL 26 HB VAL 26 -10.003 -25.648 -3.827 158 HG11 VAL 26 1HG1 VAL 26 -7.494 -25.829 -5.244 159 HG12 VAL 26 2HG1 VAL 26 -9.090 -26.424 -5.703 160 HG13 VAL 26 3HG1 VAL 26 -8.624 -24.765 -6.080 161 HG21 VAL 26 3HG2 VAL 26 -8.649 -25.762 -2.033 162 HG22 VAL 26 1HG2 VAL 26 -7.407 -26.153 -3.222 163 HG23 VAL 26 2HG2 VAL 26 -7.576 -24.498 -2.634 164 H GLY 27 H GLY 27 -9.020 -22.261 -6.177 165 HA2 GLY 27 1HA GLY 27 -10.172 -22.246 -8.235 166 HA3 GLY 27 2HA GLY 27 -11.516 -23.074 -7.463 167 H GLN 28 H GLN 28 -12.260 -21.547 -5.429 168 HA GLN 28 HA GLN 28 -13.750 -19.507 -6.558 169 HB2 GLN 28 1HB GLN 28 -12.882 -19.993 -3.715 170 HB3 GLN 28 2HB GLN 28 -13.948 -18.664 -4.151 171 HG2 GLN 28 1HG GLN 28 -15.471 -20.380 -5.188 172 HG3 GLN 28 2HG GLN 28 -14.464 -21.609 -4.425 173 HE21 GLN 28 1HE2 GLN 28 -14.930 -22.187 -2.416 174 HE22 GLN 28 2HE2 GLN 28 -15.998 -21.348 -1.349 175 H LYS 29 H LYS 29 -13.597 -17.243 -6.522 176 HA LYS 29 HA LYS 29 -10.849 -16.262 -6.612 177 HB2 LYS 29 1HB LYS 29 -12.768 -15.876 -8.386 178 HB3 LYS 29 2HB LYS 29 -13.207 -14.560 -7.304 179 HG2 LYS 29 1HG LYS 29 -11.106 -13.498 -7.607 180 HG3 LYS 29 2HG LYS 29 -10.446 -14.905 -8.445 181 HD2 LYS 29 1HD LYS 29 -12.390 -14.494 -10.120 182 HD3 LYS 29 2HD LYS 29 -12.426 -12.877 -9.411 183 HE2 LYS 29 1HE LYS 29 -9.819 -14.014 -10.309 184 HE3 LYS 29 2HE LYS 29 -10.945 -13.397 -11.517 185 HZ1 LYS 29 3HZ LYS 29 -9.214 -11.808 -10.534 186 HZ2 LYS 29 1HZ LYS 29 -10.214 -11.767 -9.169 187 HZ3 LYS 29 2HZ LYS 29 -10.809 -11.261 -10.669 188 H SER 30 H SER 30 -10.117 -15.682 -4.656 189 HA SER 30 HA SER 30 -11.852 -14.450 -2.700 190 HB2 SER 30 1HB SER 30 -8.959 -15.284 -2.713 191 HB3 SER 30 2HB SER 30 -9.621 -14.309 -1.400 192 HG SER 30 HG SER 30 -10.722 -16.781 -2.250 193 H SER 31 H SER 31 -12.017 -12.340 -2.236 194 HA SER 31 HA SER 31 -10.071 -10.483 -3.424 195 HB2 SER 31 1HB SER 31 -11.676 -9.173 -4.435 196 HB3 SER 31 2HB SER 31 -12.433 -10.757 -4.602 197 HG SER 31 HG SER 31 -13.476 -10.213 -2.516 198 H PHE 32 H PHE 32 -9.797 -8.507 -2.318 199 HA PHE 32 HA PHE 32 -11.204 -8.071 0.174 200 HB2 PHE 32 1HB PHE 32 -9.216 -8.086 1.575 201 HB3 PHE 32 2HB PHE 32 -9.408 -9.656 0.802 202 HD1 PHE 32 1HD PHE 32 -7.573 -6.444 0.554 203 HD2 PHE 32 2HD PHE 32 -7.689 -10.572 -0.477 204 HE1 PHE 32 1HE PHE 32 -5.280 -6.286 -0.323 205 HE2 PHE 32 2HE PHE 32 -5.395 -10.421 -1.354 206 HZ PHE 32 HZ PHE 32 -4.187 -8.276 -1.277 207 H LEU 33 H LEU 33 -11.219 -5.955 0.782 208 HA LEU 33 HA LEU 33 -9.920 -4.082 -1.054 209 HB2 LEU 33 1HB LEU 33 -12.419 -4.051 -0.515 210 HB3 LEU 33 2HB LEU 33 -11.949 -3.395 1.052 211 HG LEU 33 HG LEU 33 -12.705 -1.730 -0.699 212 HD11 LEU 33 1HD1 LEU 33 -10.790 -1.570 1.299 213 HD12 LEU 33 2HD1 LEU 33 -11.608 -0.222 0.510 214 HD13 LEU 33 3HD1 LEU 33 -10.044 -0.777 -0.088 215 HD21 LEU 33 3HD2 LEU 33 -9.986 -1.772 -1.854 216 HD22 LEU 33 1HD2 LEU 33 -11.530 -1.344 -2.592 217 HD23 LEU 33 2HD2 LEU 33 -11.090 -3.040 -2.390 218 H VAL 34 H VAL 34 -8.755 -2.270 -0.297 219 HA VAL 34 HA VAL 34 -7.879 -2.391 2.507 220 HB VAL 34 HB VAL 34 -6.000 -1.944 0.187 221 HG11 VAL 34 1HG1 VAL 34 -5.327 -0.802 2.223 222 HG12 VAL 34 2HG1 VAL 34 -5.499 -2.299 3.141 223 HG13 VAL 34 3HG1 VAL 34 -4.253 -2.162 1.899 224 HG21 VAL 34 3HG2 VAL 34 -6.941 -4.397 1.459 225 HG22 VAL 34 1HG2 VAL 34 -6.092 -4.165 -0.069 226 HG23 VAL 34 2HG2 VAL 34 -5.185 -4.242 1.441 227 H ASP 35 H ASP 35 -8.518 -0.533 3.377 228 HA ASP 35 HA ASP 35 -8.741 1.873 1.779 229 HB2 ASP 35 1HB ASP 35 -10.311 1.024 3.713 230 HB3 ASP 35 2HB ASP 35 -9.139 1.838 4.746 231 H CYS 36 H CYS 36 -7.296 3.468 1.676 232 HA CYS 36 HA CYS 36 -5.176 3.579 3.713 233 HB2 CYS 36 1HB CYS 36 -4.848 3.824 0.717 234 HB3 CYS 36 2HB CYS 36 -3.593 4.229 1.881 235 HG CYS 36 HG CYS 36 -4.695 1.199 0.887 236 H SER 37 H SER 37 -7.660 5.100 3.411 237 HA SER 37 HA SER 37 -6.986 7.697 2.407 238 HB2 SER 37 1HB SER 37 -9.152 8.374 3.463 239 HB3 SER 37 2HB SER 37 -9.302 6.999 2.369 240 HG SER 37 HG SER 37 -10.062 7.113 4.866 241 H LYS 38 H LYS 38 -7.898 6.687 5.704 242 HA LYS 38 HA LYS 38 -6.874 8.986 6.956 243 HB2 LYS 38 1HB LYS 38 -7.371 6.230 8.096 244 HB3 LYS 38 2HB LYS 38 -7.069 7.675 9.053 245 HG2 LYS 38 1HG LYS 38 -9.352 7.486 7.114 246 HG3 LYS 38 2HG LYS 38 -9.482 6.951 8.791 247 HD2 LYS 38 1HD LYS 38 -9.129 9.123 9.622 248 HD3 LYS 38 2HD LYS 38 -8.520 9.706 8.071 249 HE2 LYS 38 1HE LYS 38 -10.968 10.254 8.871 250 HE3 LYS 38 2HE LYS 38 -10.613 9.924 7.176 251 HZ1 LYS 38 3HZ LYS 38 -11.397 7.732 8.983 252 HZ2 LYS 38 1HZ LYS 38 -11.545 7.831 7.300 253 HZ3 LYS 38 2HZ LYS 38 -12.578 8.729 8.294 254 H ALA 39 H ALA 39 -5.261 6.395 5.552 255 HA ALA 39 HA ALA 39 -2.985 6.350 7.316 256 HB1 ALA 39 3HB ALA 39 -3.776 4.398 5.934 257 HB2 ALA 39 1HB ALA 39 -3.125 5.236 4.524 258 HB3 ALA 39 2HB ALA 39 -2.051 4.752 5.837 259 H GLY 40 H GLY 40 -3.293 7.201 3.857 260 HA2 GLY 40 1HA GLY 40 -2.142 9.724 3.994 261 HA3 GLY 40 2HA GLY 40 -0.817 8.587 3.790 262 H SER 41 H SER 41 -0.255 9.303 1.748 263 HA SER 41 HA SER 41 -2.169 8.593 -0.372 264 HB2 SER 41 1HB SER 41 -1.446 10.500 -1.695 265 HB3 SER 41 2HB SER 41 -2.012 11.064 -0.123 266 HG SER 41 HG SER 41 -0.055 12.062 -0.655 267 H ASN 42 H ASN 42 -0.264 6.840 0.608 268 HA ASN 42 HA ASN 42 2.009 6.931 -1.211 269 HB2 ASN 42 1HB ASN 42 1.959 6.177 1.329 270 HB3 ASN 42 2HB ASN 42 1.518 4.625 0.622 271 HD21 ASN 42 1HD2 ASN 42 4.023 6.830 1.268 272 HD22 ASN 42 2HD2 ASN 42 5.307 5.955 0.513 273 H MET 43 H MET 43 2.574 4.467 -1.919 274 HA MET 43 HA MET 43 0.303 3.688 -3.600 275 HB2 MET 43 1HB MET 43 2.053 2.428 -4.899 276 HB3 MET 43 2HB MET 43 2.252 4.175 -4.885 277 HG2 MET 43 1HG MET 43 4.096 4.086 -3.492 278 HG3 MET 43 2HG MET 43 3.692 2.478 -2.896 279 HE1 MET 43 3HE MET 43 4.712 0.158 -5.823 280 HE2 MET 43 1HE MET 43 4.056 0.278 -4.190 281 HE3 MET 43 2HE MET 43 3.103 0.834 -5.566 282 H LEU 44 H LEU 44 -0.630 1.718 -3.483 283 HA LEU 44 HA LEU 44 0.208 -0.016 -1.287 284 HB2 LEU 44 1HB LEU 44 -2.171 0.774 -1.579 285 HB3 LEU 44 2HB LEU 44 -2.255 -0.267 -2.998 286 HG LEU 44 HG LEU 44 -1.641 -2.177 -1.408 287 HD11 LEU 44 1HD1 LEU 44 -2.402 -1.752 0.941 288 HD12 LEU 44 2HD1 LEU 44 -2.375 -0.029 0.568 289 HD13 LEU 44 3HD1 LEU 44 -0.885 -0.970 0.494 290 HD21 LEU 44 3HD2 LEU 44 -4.009 -2.359 -0.627 291 HD22 LEU 44 1HD2 LEU 44 -3.829 -2.032 -2.351 292 HD23 LEU 44 2HD2 LEU 44 -4.280 -0.731 -1.249 293 H LEU 45 H LEU 45 1.512 -1.660 -1.709 294 HA LEU 45 HA LEU 45 1.301 -2.987 -4.332 295 HB2 LEU 45 1HB LEU 45 3.625 -3.409 -4.315 296 HB3 LEU 45 2HB LEU 45 3.414 -1.706 -3.915 297 HG LEU 45 HG LEU 45 3.571 -2.679 -1.439 298 HD11 LEU 45 1HD1 LEU 45 5.056 -4.652 -3.157 299 HD12 LEU 45 2HD1 LEU 45 3.798 -4.982 -1.967 300 HD13 LEU 45 3HD1 LEU 45 5.383 -4.416 -1.440 301 HD21 LEU 45 3HD2 LEU 45 6.022 -2.190 -1.556 302 HD22 LEU 45 1HD2 LEU 45 4.987 -0.934 -2.235 303 HD23 LEU 45 2HD2 LEU 45 5.847 -2.040 -3.306 304 H ILE 46 H ILE 46 1.871 -5.283 -4.346 305 HA ILE 46 HA ILE 46 1.321 -6.593 -1.764 306 HB ILE 46 HB ILE 46 0.377 -7.552 -4.468 307 HG12 ILE 46 1HG1 ILE 46 -0.745 -5.466 -3.480 308 HG13 ILE 46 2HG1 ILE 46 -1.792 -6.811 -3.920 309 HG21 ILE 46 1HG2 ILE 46 -0.867 -9.220 -3.207 310 HG22 ILE 46 2HG2 ILE 46 0.859 -9.346 -2.871 311 HG23 ILE 46 3HG2 ILE 46 -0.215 -8.585 -1.697 312 HD11 ILE 46 3HD1 ILE 46 -2.039 -7.458 -1.647 313 HD12 ILE 46 1HD1 ILE 46 -0.791 -6.324 -1.129 314 HD13 ILE 46 2HD1 ILE 46 -2.330 -5.721 -1.747 315 H GLY 47 H GLY 47 2.434 -8.477 -1.304 316 HA2 GLY 47 1HA GLY 47 4.472 -9.303 -3.273 317 HA3 GLY 47 2HA GLY 47 4.906 -9.008 -1.596 318 H VAL 48 H VAL 48 2.301 -10.785 -3.267 319 HA VAL 48 HA VAL 48 1.847 -12.728 -1.387 320 HB VAL 48 HB VAL 48 1.063 -14.185 -3.214 321 HG11 VAL 48 1HG1 VAL 48 -0.774 -12.898 -3.736 322 HG12 VAL 48 2HG1 VAL 48 -0.139 -12.041 -2.330 323 HG13 VAL 48 3HG1 VAL 48 0.181 -11.432 -3.955 324 HG21 VAL 48 3HG2 VAL 48 1.204 -12.772 -5.519 325 HG22 VAL 48 1HG2 VAL 48 2.767 -12.386 -4.797 326 HG23 VAL 48 2HG2 VAL 48 2.317 -14.068 -5.082 327 H HIS 49 H HIS 49 3.199 -14.075 -0.414 328 HA HIS 49 HA HIS 49 5.687 -14.857 -1.675 329 HB2 HIS 49 1HB HIS 49 5.202 -14.263 0.856 330 HB3 HIS 49 2HB HIS 49 4.796 -15.974 0.950 331 HD1 HIS 49 1HD HIS 49 7.690 -14.052 -0.626 332 HD2 HIS 49 2HD HIS 49 6.953 -17.326 1.823 333 HE1 HIS 49 1HE HIS 49 9.951 -15.011 -0.088 334 H GLY 50 H GLY 50 6.313 -16.962 -2.170 335 HA2 GLY 50 1HA GLY 50 4.066 -18.859 -2.442 336 HA3 GLY 50 2HA GLY 50 5.419 -18.763 -3.559 337 HA PRO 51 HA PRO 51 7.273 -20.723 0.439 338 HB2 PRO 51 1HB PRO 51 5.570 -21.207 2.498 339 HB3 PRO 51 2HB PRO 51 6.451 -19.685 2.317 340 HG2 PRO 51 1HG PRO 51 3.619 -20.331 1.595 341 HG3 PRO 51 2HG PRO 51 4.269 -18.884 2.387 342 HD2 PRO 51 1HD PRO 51 3.644 -18.946 -0.246 343 HD3 PRO 51 2HD PRO 51 4.969 -17.955 0.398 344 H THR 52 H THR 52 3.927 -21.577 -0.310 345 HA THR 52 HA THR 52 4.715 -24.419 -0.305 346 HB THR 52 HB THR 52 2.348 -24.975 0.088 347 HG1 THR 52 1HG THR 52 0.881 -23.317 0.543 348 HG21 THR 52 3HG2 THR 52 3.998 -24.591 1.969 349 HG22 THR 52 1HG2 THR 52 2.295 -24.457 2.404 350 HG23 THR 52 2HG2 THR 52 3.263 -23.001 2.172 351 H THR 53 H THR 53 2.661 -22.002 -1.901 352 HA THR 53 HA THR 53 3.235 -23.141 -4.481 353 HB THR 53 HB THR 53 0.389 -23.223 -3.458 354 HG1 THR 53 1HG THR 53 1.000 -25.167 -2.888 355 HG21 THR 53 3HG2 THR 53 -0.202 -24.100 -5.635 356 HG22 THR 53 1HG2 THR 53 1.479 -24.017 -6.161 357 HG23 THR 53 2HG2 THR 53 0.583 -22.533 -5.832 358 HA PRO 54 HA PRO 54 2.739 -18.842 -5.401 359 HB2 PRO 54 1HB PRO 54 2.946 -19.038 -8.101 360 HB3 PRO 54 2HB PRO 54 4.338 -19.171 -7.019 361 HG2 PRO 54 1HG PRO 54 2.747 -21.339 -8.334 362 HG3 PRO 54 2HG PRO 54 4.504 -21.199 -8.145 363 HD2 PRO 54 1HD PRO 54 2.987 -22.770 -6.544 364 HD3 PRO 54 2HD PRO 54 4.456 -21.956 -5.968 365 H CYS 55 H CYS 55 1.280 -17.413 -6.508 366 HA CYS 55 HA CYS 55 -1.375 -18.578 -6.811 367 HB2 CYS 55 1HB CYS 55 -2.242 -16.408 -6.486 368 HB3 CYS 55 2HB CYS 55 -0.873 -16.514 -5.386 369 HG CYS 55 HG CYS 55 0.799 -15.223 -7.448 370 H GLU 56 H GLU 56 -2.724 -18.123 -8.615 371 HA GLU 56 HA GLU 56 -1.459 -18.394 -11.109 372 HB2 GLU 56 1HB GLU 56 -4.296 -17.599 -10.437 373 HB3 GLU 56 2HB GLU 56 -3.738 -18.004 -12.054 374 HG2 GLU 56 1HG GLU 56 -4.842 -19.902 -11.097 375 HG3 GLU 56 2HG GLU 56 -3.121 -20.248 -11.249 376 H GLU 57 H GLU 57 -2.947 -15.597 -9.526 377 HA GLU 57 HA GLU 57 -1.238 -13.750 -10.809 378 HB2 GLU 57 1HB GLU 57 -2.827 -12.598 -12.247 379 HB3 GLU 57 2HB GLU 57 -2.649 -14.272 -12.755 380 HG2 GLU 57 1HG GLU 57 -4.736 -14.796 -11.492 381 HG3 GLU 57 2HG GLU 57 -4.936 -13.066 -11.221 382 H VAL 58 H VAL 58 -1.979 -11.445 -10.398 383 HA VAL 58 HA VAL 58 -3.724 -11.269 -8.040 384 HB VAL 58 HB VAL 58 -1.028 -9.924 -8.279 385 HG11 VAL 58 1HG1 VAL 58 -3.351 -9.496 -6.539 386 HG12 VAL 58 2HG1 VAL 58 -1.810 -9.646 -5.692 387 HG13 VAL 58 3HG1 VAL 58 -2.016 -8.416 -6.939 388 HG21 VAL 58 3HG2 VAL 58 -1.283 -11.563 -5.967 389 HG22 VAL 58 1HG2 VAL 58 -1.718 -12.521 -7.382 390 HG23 VAL 58 2HG2 VAL 58 -0.149 -11.718 -7.309 391 H SER 59 H SER 59 -5.382 -10.204 -9.003 392 HA SER 59 HA SER 59 -4.893 -7.968 -10.774 393 HB2 SER 59 1HB SER 59 -6.824 -9.735 -10.884 394 HB3 SER 59 2HB SER 59 -7.608 -8.677 -9.711 395 HG SER 59 HG SER 59 -7.619 -8.388 -12.286 396 H MET 60 H MET 60 -4.228 -6.136 -9.844 397 HA MET 60 HA MET 60 -5.651 -5.213 -7.434 398 HB2 MET 60 1HB MET 60 -2.891 -4.331 -8.263 399 HB3 MET 60 2HB MET 60 -3.680 -4.098 -6.709 400 HG2 MET 60 1HG MET 60 -3.306 -6.262 -6.037 401 HG3 MET 60 2HG MET 60 -3.181 -6.865 -7.688 402 HE1 MET 60 3HE MET 60 0.084 -3.971 -6.359 403 HE2 MET 60 1HE MET 60 -1.626 -3.634 -6.635 404 HE3 MET 60 2HE MET 60 -1.108 -4.387 -5.127 405 H LYS 61 H LYS 61 -6.899 -3.493 -7.707 406 HA LYS 61 HA LYS 61 -6.158 -1.486 -9.714 407 HB2 LYS 61 1HB LYS 61 -8.641 -3.109 -9.612 408 HB3 LYS 61 2HB LYS 61 -8.830 -1.400 -9.985 409 HG2 LYS 61 1HG LYS 61 -8.633 -2.360 -12.073 410 HG3 LYS 61 2HG LYS 61 -6.985 -1.819 -11.744 411 HD2 LYS 61 1HD LYS 61 -6.535 -3.945 -12.433 412 HD3 LYS 61 2HD LYS 61 -6.797 -4.260 -10.716 413 HE2 LYS 61 1HE LYS 61 -9.107 -4.358 -12.606 414 HE3 LYS 61 2HE LYS 61 -7.989 -5.719 -12.530 415 HZ1 LYS 61 3HZ LYS 61 -9.918 -4.789 -10.557 416 HZ2 LYS 61 1HZ LYS 61 -8.447 -5.367 -9.954 417 HZ3 LYS 61 2HZ LYS 61 -9.414 -6.362 -10.921 418 H HIS 62 H HIS 62 -7.143 0.606 -9.368 419 HA HIS 62 HA HIS 62 -7.689 1.076 -6.523 420 HB2 HIS 62 1HB HIS 62 -5.834 2.368 -7.263 421 HB3 HIS 62 2HB HIS 62 -6.677 2.873 -8.725 422 HD1 HIS 62 1HD HIS 62 -7.342 5.237 -8.589 423 HD2 HIS 62 2HD HIS 62 -7.503 3.386 -4.873 424 HE1 HIS 62 1HE HIS 62 -8.118 7.013 -6.986 425 H VAL 63 H VAL 63 -9.899 0.427 -6.663 426 HA VAL 63 HA VAL 63 -11.823 1.341 -8.411 427 HB VAL 63 HB VAL 63 -13.345 1.218 -6.249 428 HG11 VAL 63 1HG1 VAL 63 -11.973 -1.195 -7.431 429 HG12 VAL 63 2HG1 VAL 63 -13.514 -1.192 -6.571 430 HG13 VAL 63 3HG1 VAL 63 -13.366 -0.361 -8.120 431 HG21 VAL 63 3HG2 VAL 63 -12.467 0.138 -4.405 432 HG22 VAL 63 1HG2 VAL 63 -11.108 -0.527 -5.312 433 HG23 VAL 63 2HG2 VAL 63 -11.127 1.183 -4.880 434 H GLY 64 H GLY 64 -10.208 3.063 -5.873 435 HA2 GLY 64 1HA GLY 64 -10.187 5.503 -6.098 436 HA3 GLY 64 2HA GLY 64 -11.904 5.410 -6.460 437 H ASN 65 H ASN 65 -11.289 7.150 -4.582 438 HA ASN 65 HA ASN 65 -11.750 7.795 -2.451 439 HB2 ASN 65 1HB ASN 65 -13.806 6.294 -3.037 440 HB3 ASN 65 2HB ASN 65 -13.069 5.152 -1.917 441 HD21 ASN 65 1HD2 ASN 65 -15.144 5.543 -0.803 442 HD22 ASN 65 2HD2 ASN 65 -15.230 6.861 0.310 443 H GLN 66 H GLN 66 -9.280 6.454 -2.997 444 HA GLN 66 HA GLN 66 -7.452 5.693 -1.877 445 HB2 GLN 66 1HB GLN 66 -9.046 5.940 0.668 446 HB3 GLN 66 2HB GLN 66 -7.301 6.031 0.471 447 HG2 GLN 66 1HG GLN 66 -9.178 8.035 -0.743 448 HG3 GLN 66 2HG GLN 66 -8.510 8.207 0.879 449 HE21 GLN 66 1HE2 GLN 66 -6.789 9.440 0.985 450 HE22 GLN 66 2HE2 GLN 66 -5.616 9.671 -0.261 451 H GLN 67 H GLN 67 -9.654 3.898 -2.747 452 HA GLN 67 HA GLN 67 -9.135 1.635 -0.934 453 HB2 GLN 67 1HB GLN 67 -11.423 1.848 -2.888 454 HB3 GLN 67 2HB GLN 67 -11.224 0.681 -1.588 455 HG2 GLN 67 1HG GLN 67 -11.563 2.381 0.068 456 HG3 GLN 67 2HG GLN 67 -11.582 3.638 -1.168 457 HE21 GLN 67 1HE2 GLN 67 -13.329 0.988 0.260 458 HE22 GLN 67 2HE2 GLN 67 -14.871 1.377 -0.417 459 H TYR 68 H TYR 68 -8.293 -0.224 -1.737 460 HA TYR 68 HA TYR 68 -7.755 -0.313 -4.633 461 HB2 TYR 68 1HB TYR 68 -5.935 -1.036 -2.337 462 HB3 TYR 68 2HB TYR 68 -5.635 -1.560 -3.990 463 HD1 TYR 68 1HD TYR 68 -5.684 1.300 -1.701 464 HD2 TYR 68 2HD TYR 68 -4.930 0.024 -5.689 465 HE1 TYR 68 1HE TYR 68 -4.541 3.429 -2.159 466 HE2 TYR 68 2HE TYR 68 -3.783 2.149 -6.158 467 HH TYR 68 HH TYR 68 -2.507 3.995 -4.322 468 H ASN 69 H ASN 69 -8.671 -1.990 -5.594 469 HA ASN 69 HA ASN 69 -9.639 -4.223 -4.003 470 HB2 ASN 69 1HB ASN 69 -10.892 -2.958 -5.933 471 HB3 ASN 69 2HB ASN 69 -9.977 -4.044 -6.974 472 HD21 ASN 69 1HD2 ASN 69 -10.030 -6.100 -4.798 473 HD22 ASN 69 2HD2 ASN 69 -11.605 -6.802 -4.902 474 H VAL 70 H VAL 70 -8.447 -5.976 -3.706 475 HA VAL 70 HA VAL 70 -6.567 -6.781 -5.830 476 HB VAL 70 HB VAL 70 -6.156 -7.061 -2.849 477 HG11 VAL 70 1HG1 VAL 70 -4.477 -7.938 -5.192 478 HG12 VAL 70 2HG1 VAL 70 -3.885 -7.855 -3.532 479 HG13 VAL 70 3HG1 VAL 70 -5.200 -8.955 -3.947 480 HG21 VAL 70 3HG2 VAL 70 -5.498 -4.919 -3.076 481 HG22 VAL 70 1HG2 VAL 70 -4.047 -5.635 -3.776 482 HG23 VAL 70 2HG2 VAL 70 -5.335 -5.047 -4.828 483 H THR 71 H THR 71 -7.189 -8.622 -6.728 484 HA THR 71 HA THR 71 -8.414 -10.685 -5.015 485 HB THR 71 HB THR 71 -9.104 -10.585 -7.916 486 HG1 THR 71 1HG THR 71 -10.081 -8.730 -7.698 487 HG21 THR 71 3HG2 THR 71 -9.831 -12.448 -6.466 488 HG22 THR 71 1HG2 THR 71 -11.193 -11.542 -7.124 489 HG23 THR 71 2HG2 THR 71 -10.696 -11.297 -5.449 490 H TYR 72 H TYR 72 -7.712 -12.758 -5.272 491 HA TYR 72 HA TYR 72 -5.776 -13.301 -7.412 492 HB2 TYR 72 1HB TYR 72 -4.358 -14.528 -5.787 493 HB3 TYR 72 2HB TYR 72 -4.454 -12.805 -5.440 494 HD1 TYR 72 1HD TYR 72 -6.013 -16.055 -4.482 495 HD2 TYR 72 2HD TYR 72 -4.992 -12.100 -3.293 496 HE1 TYR 72 1HE TYR 72 -6.734 -16.565 -2.186 497 HE2 TYR 72 2HE TYR 72 -5.708 -12.599 -0.994 498 HH TYR 72 HH TYR 72 -7.516 -14.478 0.002 499 H VAL 73 H VAL 73 -5.220 -15.767 -7.346 500 HA VAL 73 HA VAL 73 -7.594 -17.351 -6.675 501 HB VAL 73 HB VAL 73 -6.276 -17.303 -9.392 502 HG11 VAL 73 1HG1 VAL 73 -7.695 -19.415 -8.018 503 HG12 VAL 73 2HG1 VAL 73 -8.515 -18.943 -9.507 504 HG13 VAL 73 3HG1 VAL 73 -6.828 -19.454 -9.552 505 HG21 VAL 73 3HG2 VAL 73 -8.862 -16.973 -9.909 506 HG22 VAL 73 1HG2 VAL 73 -8.833 -16.284 -8.286 507 HG23 VAL 73 2HG2 VAL 73 -7.797 -15.615 -9.547 508 H VAL 74 H VAL 74 -7.192 -19.474 -6.154 509 HA VAL 74 HA VAL 74 -4.404 -20.397 -6.316 510 HB VAL 74 HB VAL 74 -4.571 -21.367 -4.071 511 HG11 VAL 74 1HG1 VAL 74 -4.159 -19.395 -2.864 512 HG12 VAL 74 2HG1 VAL 74 -3.727 -19.006 -4.531 513 HG13 VAL 74 3HG1 VAL 74 -5.263 -18.452 -3.864 514 HG21 VAL 74 3HG2 VAL 74 -6.621 -21.736 -3.268 515 HG22 VAL 74 1HG2 VAL 74 -6.648 -20.025 -2.840 516 HG23 VAL 74 2HG2 VAL 74 -7.348 -20.564 -4.367 517 H LYS 75 H LYS 75 -4.202 -22.378 -7.131 518 HA LYS 75 HA LYS 75 -6.623 -23.973 -7.530 519 HB2 LYS 75 1HB LYS 75 -3.983 -23.772 -8.891 520 HB3 LYS 75 2HB LYS 75 -4.798 -25.330 -8.929 521 HG2 LYS 75 1HG LYS 75 -5.372 -24.124 -10.906 522 HG3 LYS 75 2HG LYS 75 -6.799 -24.199 -9.868 523 HD2 LYS 75 1HD LYS 75 -6.223 -21.918 -9.035 524 HD3 LYS 75 2HD LYS 75 -4.933 -21.858 -10.239 525 HE2 LYS 75 1HE LYS 75 -6.592 -20.831 -11.419 526 HE3 LYS 75 2HE LYS 75 -6.919 -22.505 -11.864 527 HZ1 LYS 75 3HZ LYS 75 -8.874 -22.459 -10.828 528 HZ2 LYS 75 1HZ LYS 75 -8.709 -20.776 -10.783 529 HZ3 LYS 75 2HZ LYS 75 -8.245 -21.707 -9.450 530 H GLU 76 H GLU 76 -5.013 -23.746 -4.980 531 HA GLU 76 HA GLU 76 -5.019 -26.577 -4.382 532 HB2 GLU 76 1HB GLU 76 -2.703 -26.028 -5.248 533 HB3 GLU 76 2HB GLU 76 -2.509 -24.993 -3.840 534 HG2 GLU 76 1HG GLU 76 -2.568 -26.804 -2.358 535 HG3 GLU 76 2HG GLU 76 -3.232 -27.889 -3.578 536 H ARG 77 H ARG 77 -4.467 -26.919 -1.995 537 HA ARG 77 HA ARG 77 -5.486 -24.641 -0.427 538 HB2 ARG 77 1HB ARG 77 -6.502 -26.355 1.094 539 HB3 ARG 77 2HB ARG 77 -7.217 -26.290 -0.512 540 HG2 ARG 77 1HG ARG 77 -5.019 -28.229 -0.041 541 HG3 ARG 77 2HG ARG 77 -6.607 -28.575 0.647 542 HD2 ARG 77 1HD ARG 77 -7.389 -27.921 -1.801 543 HD3 ARG 77 2HD ARG 77 -5.748 -28.432 -2.193 544 HE ARG 77 HE ARG 77 -6.924 -30.394 -0.582 545 HH11 ARG 77 1HH1 ARG 77 -7.249 -29.029 -3.768 546 HH12 ARG 77 2HH1 ARG 77 -7.869 -30.486 -4.471 547 HH21 ARG 77 1HH2 ARG 77 -7.739 -32.318 -1.496 548 HH22 ARG 77 2HH2 ARG 77 -8.148 -32.357 -3.177 549 H GLY 78 H GLY 78 -5.012 -25.026 2.012 550 HA2 GLY 78 1HA GLY 78 -3.314 -26.305 3.419 551 HA3 GLY 78 2HA GLY 78 -2.162 -25.763 2.207 552 H ASP 79 H ASP 79 -0.887 -24.471 3.436 553 HA ASP 79 HA ASP 79 -2.199 -22.250 4.858 554 HB2 ASP 79 1HB ASP 79 -0.005 -22.080 6.102 555 HB3 ASP 79 2HB ASP 79 -0.933 -23.546 6.410 556 H TYR 80 H TYR 80 -2.075 -20.343 3.897 557 HA TYR 80 HA TYR 80 0.154 -19.840 2.041 558 HB2 TYR 80 1HB TYR 80 -2.691 -18.862 2.078 559 HB3 TYR 80 2HB TYR 80 -1.447 -18.018 1.163 560 HD1 TYR 80 1HD TYR 80 -3.322 -21.179 1.467 561 HD2 TYR 80 2HD TYR 80 -0.609 -18.904 -0.892 562 HE1 TYR 80 1HE TYR 80 -3.648 -22.741 -0.404 563 HE2 TYR 80 2HE TYR 80 -0.928 -20.459 -2.770 564 HH TYR 80 HH TYR 80 -3.407 -22.842 -2.782 565 H VAL 81 H VAL 81 1.000 -17.660 1.949 566 HA VAL 81 HA VAL 81 0.673 -16.176 4.475 567 HB VAL 81 HB VAL 81 3.248 -16.631 2.961 568 HG11 VAL 81 1HG1 VAL 81 4.342 -15.257 4.548 569 HG12 VAL 81 2HG1 VAL 81 2.938 -14.344 3.991 570 HG13 VAL 81 3HG1 VAL 81 2.901 -15.153 5.558 571 HG21 VAL 81 3HG2 VAL 81 3.119 -17.361 5.784 572 HG22 VAL 81 1HG2 VAL 81 2.021 -18.291 4.765 573 HG23 VAL 81 2HG2 VAL 81 3.748 -18.265 4.407 574 H LEU 82 H LEU 82 -0.433 -14.404 3.911 575 HA LEU 82 HA LEU 82 0.077 -13.091 1.367 576 HB2 LEU 82 1HB LEU 82 -2.209 -13.259 1.892 577 HB3 LEU 82 2HB LEU 82 -1.951 -12.710 3.547 578 HG LEU 82 HG LEU 82 -1.335 -10.458 2.553 579 HD11 LEU 82 1HD1 LEU 82 -1.344 -10.120 0.358 580 HD12 LEU 82 2HD1 LEU 82 -2.923 -10.884 0.177 581 HD13 LEU 82 3HD1 LEU 82 -1.461 -11.870 0.167 582 HD21 LEU 82 3HD2 LEU 82 -3.598 -11.264 3.549 583 HD22 LEU 82 1HD2 LEU 82 -4.156 -11.175 1.878 584 HD23 LEU 82 2HD2 LEU 82 -3.523 -9.734 2.675 585 H ALA 83 H ALA 83 1.316 -11.348 1.115 586 HA ALA 83 HA ALA 83 2.138 -9.863 3.526 587 HB1 ALA 83 3HB ALA 83 4.318 -9.902 2.925 588 HB2 ALA 83 1HB ALA 83 3.822 -11.380 2.101 589 HB3 ALA 83 2HB ALA 83 3.959 -9.870 1.199 590 H VAL 84 H VAL 84 1.312 -7.886 3.518 591 HA VAL 84 HA VAL 84 1.075 -6.470 0.942 592 HB VAL 84 HB VAL 84 -0.724 -6.108 3.342 593 HG11 VAL 84 1HG1 VAL 84 -0.197 -4.441 1.140 594 HG12 VAL 84 2HG1 VAL 84 -1.784 -5.160 0.855 595 HG13 VAL 84 3HG1 VAL 84 -1.472 -4.270 2.346 596 HG21 VAL 84 3HG2 VAL 84 -0.815 -7.992 1.112 597 HG22 VAL 84 1HG2 VAL 84 -1.686 -8.005 2.646 598 HG23 VAL 84 2HG2 VAL 84 -2.291 -7.043 1.296 599 H LYS 85 H LYS 85 2.387 -4.786 0.797 600 HA LYS 85 HA LYS 85 3.334 -3.504 3.266 601 HB2 LYS 85 1HB LYS 85 4.498 -3.742 0.504 602 HB3 LYS 85 2HB LYS 85 5.067 -2.510 1.623 603 HG2 LYS 85 1HG LYS 85 5.595 -4.306 3.250 604 HG3 LYS 85 2HG LYS 85 5.152 -5.493 2.021 605 HD2 LYS 85 1HD LYS 85 7.430 -5.373 1.720 606 HD3 LYS 85 2HD LYS 85 6.872 -4.170 0.555 607 HE2 LYS 85 1HE LYS 85 7.454 -2.381 1.969 608 HE3 LYS 85 2HE LYS 85 7.619 -3.436 3.371 609 HZ1 LYS 85 3HZ LYS 85 9.368 -3.818 1.034 610 HZ2 LYS 85 1HZ LYS 85 9.646 -4.218 2.654 611 HZ3 LYS 85 2HZ LYS 85 9.721 -2.603 2.157 612 H TRP 86 H TRP 86 3.555 -1.183 3.306 613 HA TRP 86 HA TRP 86 1.844 0.248 1.396 614 HB2 TRP 86 1HB TRP 86 0.418 -0.107 3.296 615 HB3 TRP 86 2HB TRP 86 1.685 0.399 4.410 616 HD1 TRP 86 HD TRP 86 1.436 2.797 5.250 617 HE1 TRP 86 1HE TRP 86 0.270 4.936 4.420 618 HE3 TRP 86 3HE TRP 86 -0.311 1.081 0.762 619 HZ2 TRP 86 2HZ TRP 86 -1.196 5.784 2.162 620 HZ3 TRP 86 3HZ TRP 86 -1.586 2.619 -0.673 621 HH2 TRP 86 HH TRP 86 -2.019 4.922 0.014 622 H GLY 87 H GLY 87 3.614 1.190 0.400 623 HA2 GLY 87 1HA GLY 87 5.301 2.715 0.087 624 HA3 GLY 87 2HA GLY 87 4.544 3.615 1.393 625 H GLU 88 H GLU 88 6.686 0.825 0.845 626 HA GLU 88 HA GLU 88 8.523 0.081 1.961 627 HB2 GLU 88 1HB GLU 88 8.595 3.018 2.591 628 HB3 GLU 88 2HB GLU 88 9.790 1.922 3.271 629 HG2 GLU 88 1HG GLU 88 10.040 1.188 0.751 630 HG3 GLU 88 2HG GLU 88 9.401 2.806 0.466 631 H GLU 89 H GLU 89 6.044 -0.345 3.200 632 HA GLU 89 HA GLU 89 6.927 -0.715 5.935 633 HB2 GLU 89 1HB GLU 89 4.410 0.836 5.304 634 HB3 GLU 89 2HB GLU 89 4.882 0.278 6.903 635 HG2 GLU 89 1HG GLU 89 6.994 1.646 6.597 636 HG3 GLU 89 2HG GLU 89 6.195 2.371 5.202 637 H HIS 90 H HIS 90 4.927 -1.773 7.184 638 HA HIS 90 HA HIS 90 3.628 -3.693 5.374 639 HB2 HIS 90 1HB HIS 90 5.288 -4.257 7.811 640 HB3 HIS 90 2HB HIS 90 4.006 -5.367 7.336 641 HD1 HIS 90 1HD HIS 90 4.852 -7.227 5.965 642 HD2 HIS 90 2HD HIS 90 7.053 -3.756 5.360 643 HE1 HIS 90 1HE HIS 90 6.637 -7.844 4.305 644 H ILE 91 H ILE 91 1.508 -3.463 5.573 645 HA ILE 91 HA ILE 91 0.131 -2.016 7.447 646 HB ILE 91 HB ILE 91 -1.886 -3.206 6.791 647 HG12 ILE 91 1HG1 ILE 91 -0.132 -5.114 5.242 648 HG13 ILE 91 2HG1 ILE 91 -0.758 -5.485 6.845 649 HG21 ILE 91 1HG2 ILE 91 -1.594 -3.022 4.269 650 HG22 ILE 91 2HG2 ILE 91 -1.227 -1.586 5.224 651 HG23 ILE 91 3HG2 ILE 91 0.083 -2.593 4.608 652 HD11 ILE 91 3HD1 ILE 91 -2.498 -4.791 4.495 653 HD12 ILE 91 1HD1 ILE 91 -2.068 -6.439 4.955 654 HD13 ILE 91 2HD1 ILE 91 -3.002 -5.430 6.060 655 HA PRO 92 HA PRO 92 0.112 -4.289 11.209 656 HB2 PRO 92 1HB PRO 92 -2.255 -3.465 12.254 657 HB3 PRO 92 2HB PRO 92 -0.828 -2.426 12.170 658 HG2 PRO 92 1HG PRO 92 -3.206 -2.527 10.355 659 HG3 PRO 92 2HG PRO 92 -2.354 -1.114 11.004 660 HD2 PRO 92 1HD PRO 92 -1.955 -2.027 8.486 661 HD3 PRO 92 2HD PRO 92 -0.670 -1.253 9.436 662 H GLY 93 H GLY 93 -0.052 -6.448 10.629 663 HA2 GLY 93 1HA GLY 93 -1.887 -8.120 11.453 664 HA3 GLY 93 2HA GLY 93 -2.716 -7.515 10.027 665 H SER 94 H SER 94 0.202 -7.290 8.908 666 HA SER 94 HA SER 94 0.186 -10.006 7.810 667 HB2 SER 94 1HB SER 94 0.259 -8.643 5.968 668 HB3 SER 94 2HB SER 94 1.098 -7.350 6.825 669 HG SER 94 HG SER 94 2.922 -8.138 6.155 670 HA PRO 95 HA PRO 95 1.760 -11.016 6.367 671 HB2 PRO 95 1HB PRO 95 2.533 -13.577 6.832 672 HB3 PRO 95 2HB PRO 95 3.618 -12.353 6.163 673 HG2 PRO 95 1HG PRO 95 3.379 -13.339 8.980 674 HG3 PRO 95 2HG PRO 95 4.840 -13.001 8.033 675 HD2 PRO 95 1HD PRO 95 3.866 -11.271 9.874 676 HD3 PRO 95 2HD PRO 95 4.713 -10.731 8.410 677 H PHE 96 H PHE 96 -0.233 -11.828 6.054 678 HA PHE 96 HA PHE 96 -1.813 -12.549 8.360 679 HB2 PHE 96 1HB PHE 96 -2.383 -12.002 5.474 680 HB3 PHE 96 2HB PHE 96 -3.581 -12.864 6.434 681 HD1 PHE 96 2HD PHE 96 -1.872 -9.681 5.905 682 HD2 PHE 96 1HD PHE 96 -4.771 -11.762 8.225 683 HE1 PHE 96 2HE PHE 96 -2.708 -7.538 6.776 684 HE2 PHE 96 1HE PHE 96 -5.613 -9.621 9.099 685 HZ PHE 96 HZ PHE 96 -4.580 -7.506 8.376 686 H HIS 97 H HIS 97 -3.039 -14.494 8.550 687 HA HIS 97 HA HIS 97 -1.686 -16.796 7.322 688 HB2 HIS 97 1HB HIS 97 -1.578 -16.834 9.729 689 HB3 HIS 97 2HB HIS 97 -3.313 -16.562 9.859 690 HD1 HIS 97 1HD HIS 97 -3.952 -18.697 11.030 691 HD2 HIS 97 2HD HIS 97 -1.734 -19.356 7.580 692 HE1 HIS 97 1HE HIS 97 -4.042 -21.179 10.638 693 H VAL 98 H VAL 98 -2.774 -17.104 5.429 694 HA VAL 98 HA VAL 98 -5.686 -17.165 5.427 695 HB VAL 98 HB VAL 98 -3.642 -17.386 3.223 696 HG11 VAL 98 1HG1 VAL 98 -6.146 -17.116 2.046 697 HG12 VAL 98 2HG1 VAL 98 -5.120 -18.552 2.033 698 HG13 VAL 98 3HG1 VAL 98 -6.362 -18.365 3.272 699 HG21 VAL 98 3HG2 VAL 98 -4.627 -15.302 2.455 700 HG22 VAL 98 1HG2 VAL 98 -5.806 -15.355 3.766 701 HG23 VAL 98 2HG2 VAL 98 -4.093 -15.144 4.128 702 H THR 99 H THR 99 -6.678 -18.977 5.996 703 HA THR 99 HA THR 99 -5.351 -21.552 5.526 704 HB THR 99 HB THR 99 -7.734 -20.918 7.278 705 HG1 THR 99 1HG THR 99 -6.281 -20.475 8.741 706 HG21 THR 99 3HG2 THR 99 -8.028 -23.112 7.594 707 HG22 THR 99 1HG2 THR 99 -6.299 -23.387 7.805 708 HG23 THR 99 2HG2 THR 99 -6.996 -23.358 6.185 709 H VAL 100 H VAL 100 -6.026 -22.855 3.957 710 HA VAL 100 HA VAL 100 -8.662 -22.335 2.747 711 HB VAL 100 HB VAL 100 -6.209 -23.574 1.493 712 HG11 VAL 100 1HG1 VAL 100 -7.443 -24.259 -0.241 713 HG12 VAL 100 2HG1 VAL 100 -8.826 -24.083 0.840 714 HG13 VAL 100 3HG1 VAL 100 -8.395 -22.775 -0.263 715 HG21 VAL 100 3HG2 VAL 100 -5.740 -21.579 0.530 716 HG22 VAL 100 1HG2 VAL 100 -7.437 -21.114 0.413 717 HG23 VAL 100 2HG2 VAL 100 -6.583 -20.956 1.948 718 HA PRO 101 HA PRO 101 -9.863 -26.319 4.272 719 HB2 PRO 101 1HB PRO 101 -12.195 -26.505 2.896 720 HB3 PRO 101 2HB PRO 101 -11.999 -25.476 4.320 721 HG2 PRO 101 1HG PRO 101 -11.912 -24.736 1.421 722 HG3 PRO 101 2HG PRO 101 -12.698 -23.892 2.767 723 HD2 PRO 101 1HD PRO 101 -10.309 -23.114 1.757 724 HD3 PRO 101 2HD PRO 101 -10.731 -22.917 3.470 Start of MODEL 16 1 H1 GLY 1 H GLY 1 11.938 -1.082 6.610 2 HA2 GLY 1 1HA GLY 1 12.446 0.214 9.213 3 HA3 GLY 1 2HA GLY 1 13.437 0.434 7.778 4 H SER 2 H SER 2 13.261 2.496 7.194 5 HA SER 2 HA SER 2 10.630 3.535 6.530 6 HB2 SER 2 1HB SER 2 11.120 5.692 7.751 7 HB3 SER 2 2HB SER 2 10.783 4.310 8.794 8 HG SER 2 HG SER 2 12.629 5.541 9.453 9 H SER 3 H SER 3 10.723 5.464 5.207 10 HA SER 3 HA SER 3 12.612 5.335 3.174 11 HB2 SER 3 1HB SER 3 10.433 6.405 2.875 12 HB3 SER 3 2HB SER 3 10.893 7.690 3.992 13 HG SER 3 HG SER 3 11.144 7.988 1.573 14 H GLY 4 H GLY 4 12.311 8.010 5.523 15 HA2 GLY 4 1HA GLY 4 15.243 8.149 5.637 16 HA3 GLY 4 2HA GLY 4 14.348 9.591 5.181 17 H SER 5 H SER 5 12.898 10.532 6.739 18 HA SER 5 HA SER 5 13.699 9.912 9.506 19 HB2 SER 5 1HB SER 5 13.214 12.277 10.024 20 HB3 SER 5 2HB SER 5 14.448 12.127 8.773 21 HG SER 5 HG SER 5 11.700 12.504 8.200 22 H SER 6 H SER 6 11.019 10.668 7.369 23 HA SER 6 HA SER 6 9.165 9.271 9.019 24 HB2 SER 6 1HB SER 6 9.493 11.666 10.059 25 HB3 SER 6 2HB SER 6 8.439 12.165 8.736 26 HG SER 6 HG SER 6 7.389 10.000 9.863 27 H GLY 7 H GLY 7 6.982 9.239 8.081 28 HA2 GLY 7 1HA GLY 7 6.958 10.052 5.244 29 HA3 GLY 7 2HA GLY 7 6.482 8.430 5.724 30 H SER 8 H SER 8 5.157 11.028 4.568 31 HA SER 8 HA SER 8 3.153 11.809 6.379 32 HB2 SER 8 1HB SER 8 2.138 12.930 4.564 33 HB3 SER 8 2HB SER 8 3.860 12.943 4.185 34 HG SER 8 HG SER 8 3.551 11.459 2.638 35 H SER 9 H SER 9 3.635 8.858 4.918 36 HA SER 9 HA SER 9 0.784 8.154 5.183 37 HB2 SER 9 1HB SER 9 2.850 7.278 3.192 38 HB3 SER 9 2HB SER 9 1.513 6.202 3.596 39 HG SER 9 HG SER 9 0.178 7.462 2.551 40 H ASP 10 H ASP 10 0.338 6.802 6.782 41 HA ASP 10 HA ASP 10 2.515 5.143 7.868 42 HB2 ASP 10 1HB ASP 10 0.268 6.625 9.137 43 HB3 ASP 10 2HB ASP 10 0.744 5.095 9.869 44 H ALA 11 H ALA 11 2.283 2.982 7.972 45 HA ALA 11 HA ALA 11 0.112 1.767 6.545 46 HB1 ALA 11 3HB ALA 11 1.365 -0.149 6.532 47 HB2 ALA 11 1HB ALA 11 2.636 1.055 6.750 48 HB3 ALA 11 2HB ALA 11 2.035 0.146 8.137 49 H SER 12 H SER 12 1.060 2.090 9.915 50 HA SER 12 HA SER 12 -0.537 0.203 11.128 51 HB2 SER 12 1HB SER 12 0.423 2.913 11.977 52 HB3 SER 12 2HB SER 12 -0.699 2.027 13.009 53 HG SER 12 HG SER 12 1.945 1.425 12.314 54 H LYS 13 H LYS 13 -1.443 3.298 9.763 55 HA LYS 13 HA LYS 13 -4.113 3.247 10.834 56 HB2 LYS 13 1HB LYS 13 -2.990 4.945 8.599 57 HB3 LYS 13 2HB LYS 13 -4.485 5.233 9.479 58 HG2 LYS 13 1HG LYS 13 -1.752 5.235 10.739 59 HG3 LYS 13 2HG LYS 13 -2.597 6.680 10.180 60 HD2 LYS 13 1HD LYS 13 -4.024 4.847 12.038 61 HD3 LYS 13 2HD LYS 13 -2.743 5.869 12.695 62 HE2 LYS 13 1HE LYS 13 -4.771 7.128 10.925 63 HE3 LYS 13 2HE LYS 13 -5.262 6.682 12.559 64 HZ1 LYS 13 3HZ LYS 13 -4.125 8.373 13.416 65 HZ2 LYS 13 1HZ LYS 13 -3.985 8.977 11.842 66 HZ3 LYS 13 2HZ LYS 13 -2.742 8.038 12.500 67 H VAL 14 H VAL 14 -2.525 2.245 7.888 68 HA VAL 14 HA VAL 14 -4.710 1.993 6.182 69 HB VAL 14 HB VAL 14 -2.232 0.274 6.345 70 HG11 VAL 14 1HG1 VAL 14 -4.606 -0.023 4.756 71 HG12 VAL 14 2HG1 VAL 14 -3.218 0.320 3.722 72 HG13 VAL 14 3HG1 VAL 14 -3.176 -1.051 4.831 73 HG21 VAL 14 3HG2 VAL 14 -2.231 2.870 5.852 74 HG22 VAL 14 1HG2 VAL 14 -1.187 1.763 4.961 75 HG23 VAL 14 2HG2 VAL 14 -2.696 2.324 4.241 76 H THR 15 H THR 15 -6.447 0.732 6.195 77 HA THR 15 HA THR 15 -6.414 -1.679 7.892 78 HB THR 15 HB THR 15 -8.882 -1.393 8.092 79 HG1 THR 15 1HG THR 15 -9.200 -0.061 6.250 80 HG21 THR 15 3HG2 THR 15 -8.202 -0.525 10.036 81 HG22 THR 15 1HG2 THR 15 -8.401 1.061 9.294 82 HG23 THR 15 2HG2 THR 15 -6.824 0.273 9.280 83 H SER 16 H SER 16 -7.389 -3.556 7.124 84 HA SER 16 HA SER 16 -8.161 -3.538 4.282 85 HB2 SER 16 1HB SER 16 -7.034 -5.708 4.000 86 HB3 SER 16 2HB SER 16 -5.893 -4.460 4.504 87 HG SER 16 HG SER 16 -7.124 -5.933 6.516 88 H LYS 17 H LYS 17 -9.937 -4.692 3.745 89 HA LYS 17 HA LYS 17 -11.139 -6.418 5.800 90 HB2 LYS 17 1HB LYS 17 -13.370 -5.524 5.166 91 HB3 LYS 17 2HB LYS 17 -12.329 -4.325 5.922 92 HG2 LYS 17 1HG LYS 17 -11.727 -3.805 3.393 93 HG3 LYS 17 2HG LYS 17 -13.336 -4.486 3.140 94 HD2 LYS 17 1HD LYS 17 -13.706 -2.187 3.408 95 HD3 LYS 17 2HD LYS 17 -14.105 -2.884 4.980 96 HE2 LYS 17 1HE LYS 17 -11.596 -2.378 5.510 97 HE3 LYS 17 2HE LYS 17 -11.743 -1.243 4.170 98 HZ1 LYS 17 3HZ LYS 17 -13.372 -0.025 5.293 99 HZ2 LYS 17 1HZ LYS 17 -12.217 -0.365 6.482 100 HZ3 LYS 17 2HZ LYS 17 -13.657 -1.250 6.424 101 H GLY 18 H GLY 18 -12.633 -8.014 4.975 102 HA2 GLY 18 1HA GLY 18 -13.651 -8.840 2.802 103 HA3 GLY 18 2HA GLY 18 -12.010 -8.736 2.181 104 H ALA 19 H ALA 19 -13.528 -11.091 2.141 105 HA ALA 19 HA ALA 19 -12.914 -12.795 4.332 106 HB1 ALA 19 3HB ALA 19 -13.640 -14.613 2.851 107 HB2 ALA 19 1HB ALA 19 -14.780 -13.267 2.853 108 HB3 ALA 19 2HB ALA 19 -13.674 -13.485 1.496 109 H GLY 20 H GLY 20 -11.462 -12.368 1.111 110 HA2 GLY 20 1HA GLY 20 -9.591 -14.313 0.999 111 HA3 GLY 20 2HA GLY 20 -9.261 -12.672 0.466 112 H LEU 21 H LEU 21 -9.474 -11.506 3.111 113 HA LEU 21 HA LEU 21 -6.782 -11.936 3.963 114 HB2 LEU 21 1HB LEU 21 -8.976 -10.386 5.330 115 HB3 LEU 21 2HB LEU 21 -7.247 -10.259 5.649 116 HG LEU 21 HG LEU 21 -8.272 -9.645 2.913 117 HD11 LEU 21 1HD1 LEU 21 -9.104 -7.595 3.428 118 HD12 LEU 21 2HD1 LEU 21 -8.113 -7.430 4.877 119 HD13 LEU 21 3HD1 LEU 21 -9.552 -8.449 4.905 120 HD21 LEU 21 3HD2 LEU 21 -5.809 -9.452 4.343 121 HD22 LEU 21 1HD2 LEU 21 -6.329 -7.835 3.868 122 HD23 LEU 21 2HD2 LEU 21 -6.140 -9.094 2.647 123 H SER 22 H SER 22 -9.967 -12.794 5.224 124 HA SER 22 HA SER 22 -8.933 -13.948 7.638 125 HB2 SER 22 1HB SER 22 -11.285 -12.983 7.263 126 HB3 SER 22 2HB SER 22 -11.652 -14.510 6.460 127 HG SER 22 HG SER 22 -10.760 -15.453 8.518 128 H LYS 23 H LYS 23 -10.459 -15.328 4.725 129 HA LYS 23 HA LYS 23 -8.681 -17.607 4.837 130 HB2 LYS 23 1HB LYS 23 -10.542 -19.256 4.835 131 HB3 LYS 23 2HB LYS 23 -10.396 -18.375 6.350 132 HG2 LYS 23 1HG LYS 23 -12.270 -16.990 5.799 133 HG3 LYS 23 2HG LYS 23 -12.355 -17.676 4.174 134 HD2 LYS 23 1HD LYS 23 -12.872 -19.872 5.141 135 HD3 LYS 23 2HD LYS 23 -12.809 -19.169 6.759 136 HE2 LYS 23 1HE LYS 23 -14.655 -17.662 6.153 137 HE3 LYS 23 2HE LYS 23 -14.728 -18.408 4.557 138 HZ1 LYS 23 3HZ LYS 23 -14.941 -20.145 6.905 139 HZ2 LYS 23 1HZ LYS 23 -15.657 -20.300 5.379 140 HZ3 LYS 23 2HZ LYS 23 -16.280 -19.195 6.498 141 H ALA 24 H ALA 24 -9.137 -19.130 2.977 142 HA ALA 24 HA ALA 24 -10.432 -17.783 0.716 143 HB1 ALA 24 3HB ALA 24 -8.318 -18.805 -0.572 144 HB2 ALA 24 1HB ALA 24 -8.359 -17.160 0.064 145 HB3 ALA 24 2HB ALA 24 -7.565 -18.442 0.981 146 H PHE 25 H PHE 25 -10.718 -19.257 -1.165 147 HA PHE 25 HA PHE 25 -10.882 -22.082 -0.369 148 HB2 PHE 25 1HB PHE 25 -13.058 -20.420 -1.645 149 HB3 PHE 25 2HB PHE 25 -13.082 -22.181 -1.610 150 HD1 PHE 25 2HD PHE 25 -12.497 -19.388 0.801 151 HD2 PHE 25 1HD PHE 25 -14.388 -23.119 0.013 152 HE1 PHE 25 2HE PHE 25 -13.542 -19.324 3.027 153 HE2 PHE 25 1HE PHE 25 -15.436 -23.061 2.238 154 HZ PHE 25 HZ PHE 25 -15.013 -21.163 3.749 155 H VAL 26 H VAL 26 -10.167 -23.483 -1.857 156 HA VAL 26 HA VAL 26 -8.675 -22.736 -4.047 157 HB VAL 26 HB VAL 26 -10.169 -25.337 -3.675 158 HG11 VAL 26 1HG1 VAL 26 -9.290 -24.750 -6.010 159 HG12 VAL 26 2HG1 VAL 26 -7.682 -24.947 -5.309 160 HG13 VAL 26 3HG1 VAL 26 -8.814 -26.300 -5.318 161 HG21 VAL 26 3HG2 VAL 26 -8.396 -26.127 -2.442 162 HG22 VAL 26 1HG2 VAL 26 -7.259 -24.973 -3.138 163 HG23 VAL 26 2HG2 VAL 26 -8.428 -24.439 -1.931 164 H GLY 27 H GLY 27 -9.045 -22.332 -6.169 165 HA2 GLY 27 1HA GLY 27 -10.200 -22.107 -8.162 166 HA3 GLY 27 2HA GLY 27 -11.540 -22.986 -7.442 167 H GLN 28 H GLN 28 -12.100 -21.376 -5.254 168 HA GLN 28 HA GLN 28 -13.714 -19.391 -6.425 169 HB2 GLN 28 1HB GLN 28 -12.889 -19.910 -3.573 170 HB3 GLN 28 2HB GLN 28 -13.991 -18.613 -4.014 171 HG2 GLN 28 1HG GLN 28 -15.367 -20.446 -5.165 172 HG3 GLN 28 2HG GLN 28 -14.395 -21.570 -4.217 173 HE21 GLN 28 1HE2 GLN 28 -16.876 -21.832 -3.666 174 HE22 GLN 28 2HE2 GLN 28 -17.355 -21.031 -2.212 175 H LYS 29 H LYS 29 -13.431 -17.262 -6.783 176 HA LYS 29 HA LYS 29 -10.756 -16.210 -6.662 177 HB2 LYS 29 1HB LYS 29 -12.697 -15.812 -8.423 178 HB3 LYS 29 2HB LYS 29 -13.102 -14.492 -7.334 179 HG2 LYS 29 1HG LYS 29 -10.864 -13.569 -7.598 180 HG3 LYS 29 2HG LYS 29 -10.433 -14.906 -8.667 181 HD2 LYS 29 1HD LYS 29 -12.519 -14.117 -10.025 182 HD3 LYS 29 2HD LYS 29 -12.274 -12.601 -9.154 183 HE2 LYS 29 1HE LYS 29 -9.951 -13.900 -10.501 184 HE3 LYS 29 2HE LYS 29 -11.127 -13.022 -11.478 185 HZ1 LYS 29 3HZ LYS 29 -9.230 -11.650 -10.742 186 HZ2 LYS 29 1HZ LYS 29 -9.711 -11.872 -9.135 187 HZ3 LYS 29 2HZ LYS 29 -10.720 -11.048 -10.214 188 H SER 30 H SER 30 -10.032 -15.662 -4.691 189 HA SER 30 HA SER 30 -11.773 -14.443 -2.732 190 HB2 SER 30 1HB SER 30 -8.974 -15.471 -2.763 191 HB3 SER 30 2HB SER 30 -9.394 -14.271 -1.542 192 HG SER 30 HG SER 30 -10.155 -16.906 -1.765 193 H SER 31 H SER 31 -12.012 -12.336 -2.363 194 HA SER 31 HA SER 31 -10.036 -10.476 -3.510 195 HB2 SER 31 1HB SER 31 -11.677 -9.111 -4.422 196 HB3 SER 31 2HB SER 31 -12.379 -10.708 -4.677 197 HG SER 31 HG SER 31 -13.778 -10.372 -3.042 198 H PHE 32 H PHE 32 -9.810 -8.456 -2.420 199 HA PHE 32 HA PHE 32 -11.133 -8.055 0.114 200 HB2 PHE 32 1HB PHE 32 -9.128 -8.095 1.481 201 HB3 PHE 32 2HB PHE 32 -9.323 -9.653 0.685 202 HD1 PHE 32 1HD PHE 32 -7.347 -6.578 0.840 203 HD2 PHE 32 2HD PHE 32 -7.775 -10.390 -1.004 204 HE1 PHE 32 1HE PHE 32 -5.066 -6.393 -0.064 205 HE2 PHE 32 2HE PHE 32 -5.495 -10.212 -1.910 206 HZ PHE 32 HZ PHE 32 -4.137 -8.212 -1.439 207 H LEU 33 H LEU 33 -11.126 -5.943 0.737 208 HA LEU 33 HA LEU 33 -9.766 -4.072 -1.071 209 HB2 LEU 33 1HB LEU 33 -12.325 -4.102 -0.638 210 HB3 LEU 33 2HB LEU 33 -11.906 -3.299 0.873 211 HG LEU 33 HG LEU 33 -10.689 -1.591 -0.635 212 HD11 LEU 33 1HD1 LEU 33 -12.587 -2.797 -2.642 213 HD12 LEU 33 2HD1 LEU 33 -10.830 -2.932 -2.688 214 HD13 LEU 33 3HD1 LEU 33 -11.598 -1.355 -2.867 215 HD21 LEU 33 3HD2 LEU 33 -13.674 -1.859 -0.395 216 HD22 LEU 33 1HD2 LEU 33 -12.897 -0.425 -1.066 217 HD23 LEU 33 2HD2 LEU 33 -12.575 -0.903 0.601 218 H VAL 34 H VAL 34 -8.752 -2.183 -0.214 219 HA VAL 34 HA VAL 34 -8.067 -2.294 2.639 220 HB VAL 34 HB VAL 34 -6.038 -1.909 0.433 221 HG11 VAL 34 1HG1 VAL 34 -4.800 -0.912 1.985 222 HG12 VAL 34 2HG1 VAL 34 -6.031 -1.203 3.215 223 HG13 VAL 34 3HG1 VAL 34 -4.797 -2.422 2.896 224 HG21 VAL 34 3HG2 VAL 34 -5.181 -4.052 0.951 225 HG22 VAL 34 1HG2 VAL 34 -6.196 -4.192 2.386 226 HG23 VAL 34 2HG2 VAL 34 -6.924 -4.256 0.782 227 H ASP 35 H ASP 35 -8.661 -0.422 3.494 228 HA ASP 35 HA ASP 35 -8.909 1.954 1.859 229 HB2 ASP 35 1HB ASP 35 -10.682 1.865 3.333 230 HB3 ASP 35 2HB ASP 35 -9.708 1.175 4.629 231 H CYS 36 H CYS 36 -7.312 3.344 1.556 232 HA CYS 36 HA CYS 36 -5.247 3.592 3.644 233 HB2 CYS 36 1HB CYS 36 -4.914 3.819 0.645 234 HB3 CYS 36 2HB CYS 36 -3.650 4.144 1.825 235 HG CYS 36 HG CYS 36 -4.383 1.331 0.404 236 H SER 37 H SER 37 -7.661 5.120 3.496 237 HA SER 37 HA SER 37 -7.070 7.678 2.335 238 HB2 SER 37 1HB SER 37 -9.390 6.839 2.568 239 HB3 SER 37 2HB SER 37 -9.228 6.926 4.322 240 HG SER 37 HG SER 37 -10.220 8.797 3.577 241 H LYS 38 H LYS 38 -7.649 6.695 5.717 242 HA LYS 38 HA LYS 38 -6.675 9.041 6.882 243 HB2 LYS 38 1HB LYS 38 -6.430 7.645 8.951 244 HB3 LYS 38 2HB LYS 38 -8.012 7.546 8.189 245 HG2 LYS 38 1HG LYS 38 -7.393 5.414 7.172 246 HG3 LYS 38 2HG LYS 38 -5.804 5.513 7.935 247 HD2 LYS 38 1HD LYS 38 -7.010 4.132 9.373 248 HD3 LYS 38 2HD LYS 38 -7.119 5.717 10.143 249 HE2 LYS 38 1HE LYS 38 -9.325 6.034 9.049 250 HE3 LYS 38 2HE LYS 38 -9.213 4.389 8.426 251 HZ1 LYS 38 3HZ LYS 38 -10.377 4.005 10.319 252 HZ2 LYS 38 1HZ LYS 38 -9.707 5.316 11.153 253 HZ3 LYS 38 2HZ LYS 38 -8.819 3.888 10.967 254 H ALA 39 H ALA 39 -5.020 6.231 5.672 255 HA ALA 39 HA ALA 39 -2.577 6.451 7.002 256 HB1 ALA 39 3HB ALA 39 -3.571 4.744 5.173 257 HB2 ALA 39 1HB ALA 39 -2.450 5.661 4.166 258 HB3 ALA 39 2HB ALA 39 -1.864 4.829 5.607 259 H GLY 40 H GLY 40 -3.154 7.498 3.636 260 HA2 GLY 40 1HA GLY 40 -2.349 10.120 3.821 261 HA3 GLY 40 2HA GLY 40 -0.858 9.204 3.657 262 H SER 41 H SER 41 -0.148 9.377 1.642 263 HA SER 41 HA SER 41 -2.041 8.859 -0.545 264 HB2 SER 41 1HB SER 41 -0.845 10.602 -1.900 265 HB3 SER 41 2HB SER 41 -1.757 11.254 -0.538 266 HG SER 41 HG SER 41 0.876 11.433 -1.056 267 H ASN 42 H ASN 42 -0.379 6.954 0.580 268 HA ASN 42 HA ASN 42 1.963 6.739 -1.144 269 HB2 ASN 42 1HB ASN 42 1.736 6.109 1.426 270 HB3 ASN 42 2HB ASN 42 1.188 4.574 0.759 271 HD21 ASN 42 1HD2 ASN 42 3.842 6.470 1.572 272 HD22 ASN 42 2HD2 ASN 42 5.077 5.495 0.856 273 H MET 43 H MET 43 2.321 4.245 -1.781 274 HA MET 43 HA MET 43 -0.049 3.525 -3.368 275 HB2 MET 43 1HB MET 43 1.535 2.360 -4.867 276 HB3 MET 43 2HB MET 43 1.876 4.080 -4.732 277 HG2 MET 43 1HG MET 43 3.813 3.744 -3.540 278 HG3 MET 43 2HG MET 43 3.304 2.161 -2.958 279 HE1 MET 43 3HE MET 43 2.761 0.353 -5.929 280 HE2 MET 43 1HE MET 43 4.274 -0.334 -5.336 281 HE3 MET 43 2HE MET 43 3.046 0.214 -4.194 282 H LEU 44 H LEU 44 -0.926 1.522 -3.238 283 HA LEU 44 HA LEU 44 0.032 -0.188 -1.078 284 HB2 LEU 44 1HB LEU 44 -2.389 0.537 -1.369 285 HB3 LEU 44 2HB LEU 44 -2.448 -0.581 -2.730 286 HG LEU 44 HG LEU 44 -1.745 -2.382 -1.063 287 HD11 LEU 44 1HD1 LEU 44 -1.140 -1.613 0.942 288 HD12 LEU 44 2HD1 LEU 44 -2.865 -1.424 1.250 289 HD13 LEU 44 3HD1 LEU 44 -1.917 -0.052 0.678 290 HD21 LEU 44 3HD2 LEU 44 -4.432 -1.082 -0.638 291 HD22 LEU 44 1HD2 LEU 44 -4.016 -2.779 -0.390 292 HD23 LEU 44 2HD2 LEU 44 -4.019 -2.101 -2.018 293 H LEU 45 H LEU 45 1.405 -1.765 -1.538 294 HA LEU 45 HA LEU 45 1.185 -3.105 -4.154 295 HB2 LEU 45 1HB LEU 45 3.522 -3.462 -4.162 296 HB3 LEU 45 2HB LEU 45 3.265 -1.766 -3.760 297 HG LEU 45 HG LEU 45 3.476 -2.735 -1.286 298 HD11 LEU 45 1HD1 LEU 45 5.066 -4.503 -1.120 299 HD12 LEU 45 2HD1 LEU 45 5.293 -4.542 -2.868 300 HD13 LEU 45 3HD1 LEU 45 3.759 -5.057 -2.166 301 HD21 LEU 45 3HD2 LEU 45 5.895 -2.151 -1.411 302 HD22 LEU 45 1HD2 LEU 45 4.825 -0.943 -2.124 303 HD23 LEU 45 2HD2 LEU 45 5.730 -2.043 -3.165 304 H ILE 46 H ILE 46 1.903 -5.384 -4.166 305 HA ILE 46 HA ILE 46 1.420 -6.720 -1.586 306 HB ILE 46 HB ILE 46 0.396 -7.669 -4.264 307 HG12 ILE 46 1HG1 ILE 46 -0.830 -5.699 -3.409 308 HG13 ILE 46 2HG1 ILE 46 -1.829 -7.148 -3.412 309 HG21 ILE 46 1HG2 ILE 46 -0.920 -9.212 -2.634 310 HG22 ILE 46 2HG2 ILE 46 0.744 -9.607 -3.062 311 HG23 ILE 46 3HG2 ILE 46 0.391 -8.837 -1.515 312 HD11 ILE 46 3HD1 ILE 46 -0.628 -5.695 -1.093 313 HD12 ILE 46 1HD1 ILE 46 -2.310 -6.139 -1.382 314 HD13 ILE 46 2HD1 ILE 46 -1.131 -7.379 -0.954 315 H GLY 47 H GLY 47 2.556 -8.622 -1.203 316 HA2 GLY 47 1HA GLY 47 4.572 -9.352 -3.231 317 HA3 GLY 47 2HA GLY 47 5.030 -9.100 -1.553 318 H VAL 48 H VAL 48 2.503 -10.905 -3.312 319 HA VAL 48 HA VAL 48 2.004 -12.887 -1.504 320 HB VAL 48 HB VAL 48 1.339 -14.329 -3.346 321 HG11 VAL 48 1HG1 VAL 48 0.472 -11.843 -4.571 322 HG12 VAL 48 2HG1 VAL 48 -0.468 -13.078 -3.732 323 HG13 VAL 48 3HG1 VAL 48 0.343 -11.808 -2.813 324 HG21 VAL 48 3HG2 VAL 48 3.433 -13.654 -4.708 325 HG22 VAL 48 1HG2 VAL 48 1.940 -14.031 -5.567 326 HG23 VAL 48 2HG2 VAL 48 2.414 -12.351 -5.320 327 H HIS 49 H HIS 49 2.814 -14.942 -1.059 328 HA HIS 49 HA HIS 49 5.673 -15.191 -1.337 329 HB2 HIS 49 1HB HIS 49 5.414 -17.185 0.083 330 HB3 HIS 49 2HB HIS 49 4.598 -15.787 0.778 331 HD1 HIS 49 1HD HIS 49 1.906 -15.741 0.289 332 HD2 HIS 49 2HD HIS 49 3.850 -19.391 -0.115 333 HE1 HIS 49 1HE HIS 49 0.094 -17.482 0.386 334 H GLY 50 H GLY 50 6.688 -17.226 -2.062 335 HA2 GLY 50 1HA GLY 50 5.151 -18.848 -3.923 336 HA3 GLY 50 2HA GLY 50 6.400 -17.844 -4.645 337 HA PRO 51 HA PRO 51 8.887 -20.816 -1.806 338 HB2 PRO 51 1HB PRO 51 7.502 -22.554 -0.247 339 HB3 PRO 51 2HB PRO 51 7.938 -20.925 0.283 340 HG2 PRO 51 1HG PRO 51 5.337 -21.930 -0.807 341 HG3 PRO 51 2HG PRO 51 5.630 -20.837 0.559 342 HD2 PRO 51 1HD PRO 51 4.883 -19.946 -1.886 343 HD3 PRO 51 2HD PRO 51 5.936 -19.007 -0.809 344 H THR 52 H THR 52 5.810 -22.459 -2.571 345 HA THR 52 HA THR 52 7.306 -24.271 -4.338 346 HB THR 52 HB THR 52 5.809 -26.139 -3.607 347 HG1 THR 52 1HG THR 52 4.914 -25.708 -1.392 348 HG21 THR 52 3HG2 THR 52 8.000 -24.940 -2.122 349 HG22 THR 52 1HG2 THR 52 7.701 -26.631 -2.519 350 HG23 THR 52 2HG2 THR 52 6.951 -25.914 -1.092 351 H THR 53 H THR 53 3.932 -23.694 -3.324 352 HA THR 53 HA THR 53 3.163 -23.720 -6.162 353 HB THR 53 HB THR 53 1.363 -24.033 -3.753 354 HG1 THR 53 1HG THR 53 1.932 -26.158 -5.485 355 HG21 THR 53 3HG2 THR 53 -0.297 -24.780 -5.347 356 HG22 THR 53 1HG2 THR 53 0.852 -24.611 -6.673 357 HG23 THR 53 2HG2 THR 53 0.280 -23.181 -5.814 358 HA PRO 54 HA PRO 54 2.814 -19.265 -5.211 359 HB2 PRO 54 1HB PRO 54 3.184 -18.480 -7.783 360 HB3 PRO 54 2HB PRO 54 4.522 -18.858 -6.692 361 HG2 PRO 54 1HG PRO 54 3.267 -20.560 -8.810 362 HG3 PRO 54 2HG PRO 54 4.984 -20.337 -8.426 363 HD2 PRO 54 1HD PRO 54 3.578 -22.501 -7.607 364 HD3 PRO 54 2HD PRO 54 4.910 -21.812 -6.657 365 H CYS 55 H CYS 55 1.440 -17.563 -6.382 366 HA CYS 55 HA CYS 55 -1.194 -18.706 -6.784 367 HB2 CYS 55 1HB CYS 55 -2.005 -16.422 -6.648 368 HB3 CYS 55 2HB CYS 55 -0.873 -16.722 -5.334 369 HG CYS 55 HG CYS 55 -0.774 -14.424 -7.699 370 H GLU 56 H GLU 56 -2.523 -18.277 -8.599 371 HA GLU 56 HA GLU 56 -1.241 -18.546 -11.085 372 HB2 GLU 56 1HB GLU 56 -4.086 -17.817 -10.385 373 HB3 GLU 56 2HB GLU 56 -3.540 -18.117 -12.029 374 HG2 GLU 56 1HG GLU 56 -3.349 -20.106 -9.781 375 HG3 GLU 56 2HG GLU 56 -4.647 -20.057 -10.972 376 H GLU 57 H GLU 57 -2.720 -15.754 -9.494 377 HA GLU 57 HA GLU 57 -1.033 -13.904 -10.802 378 HB2 GLU 57 1HB GLU 57 -2.355 -12.950 -12.433 379 HB3 GLU 57 2HB GLU 57 -2.801 -14.643 -12.589 380 HG2 GLU 57 1HG GLU 57 -4.864 -13.692 -12.596 381 HG3 GLU 57 2HG GLU 57 -4.668 -13.970 -10.867 382 H VAL 58 H VAL 58 -2.072 -11.568 -10.539 383 HA VAL 58 HA VAL 58 -3.644 -11.426 -8.074 384 HB VAL 58 HB VAL 58 -1.057 -9.906 -8.423 385 HG11 VAL 58 1HG1 VAL 58 -1.411 -9.061 -6.242 386 HG12 VAL 58 2HG1 VAL 58 -2.935 -8.844 -7.105 387 HG13 VAL 58 3HG1 VAL 58 -2.754 -10.167 -5.952 388 HG21 VAL 58 3HG2 VAL 58 -0.745 -11.482 -6.213 389 HG22 VAL 58 1HG2 VAL 58 -1.629 -12.548 -7.305 390 HG23 VAL 58 2HG2 VAL 58 -0.096 -11.838 -7.814 391 H SER 59 H SER 59 -5.375 -10.358 -8.824 392 HA SER 59 HA SER 59 -5.081 -8.204 -10.745 393 HB2 SER 59 1HB SER 59 -6.977 -9.998 -10.645 394 HB3 SER 59 2HB SER 59 -7.678 -8.935 -9.425 395 HG SER 59 HG SER 59 -8.475 -8.344 -11.428 396 H MET 60 H MET 60 -4.497 -6.267 -10.028 397 HA MET 60 HA MET 60 -5.706 -5.283 -7.528 398 HB2 MET 60 1HB MET 60 -2.989 -4.515 -8.602 399 HB3 MET 60 2HB MET 60 -3.691 -4.038 -7.061 400 HG2 MET 60 1HG MET 60 -3.393 -6.135 -6.128 401 HG3 MET 60 2HG MET 60 -3.268 -6.925 -7.698 402 HE1 MET 60 3HE MET 60 -0.707 -4.640 -5.107 403 HE2 MET 60 1HE MET 60 -0.246 -3.803 -6.589 404 HE3 MET 60 2HE MET 60 -1.941 -3.873 -6.107 405 H LYS 61 H LYS 61 -6.941 -3.542 -7.748 406 HA LYS 61 HA LYS 61 -6.357 -1.603 -9.856 407 HB2 LYS 61 1HB LYS 61 -8.806 -3.280 -9.647 408 HB3 LYS 61 2HB LYS 61 -9.019 -1.594 -10.100 409 HG2 LYS 61 1HG LYS 61 -7.149 -3.474 -11.520 410 HG3 LYS 61 2HG LYS 61 -8.821 -3.193 -12.009 411 HD2 LYS 61 1HD LYS 61 -8.247 -0.740 -12.137 412 HD3 LYS 61 2HD LYS 61 -6.557 -1.207 -11.931 413 HE2 LYS 61 1HE LYS 61 -8.270 -2.408 -14.083 414 HE3 LYS 61 2HE LYS 61 -7.442 -0.869 -14.319 415 HZ1 LYS 61 3HZ LYS 61 -5.567 -2.626 -13.287 416 HZ2 LYS 61 1HZ LYS 61 -5.646 -2.017 -14.863 417 HZ3 LYS 61 2HZ LYS 61 -6.394 -3.486 -14.486 418 H HIS 62 H HIS 62 -6.689 0.461 -9.245 419 HA HIS 62 HA HIS 62 -7.505 0.938 -6.506 420 HB2 HIS 62 1HB HIS 62 -5.561 2.131 -7.218 421 HB3 HIS 62 2HB HIS 62 -6.377 2.728 -8.660 422 HD1 HIS 62 1HD HIS 62 -6.886 5.125 -8.437 423 HD2 HIS 62 2HD HIS 62 -7.200 3.150 -4.795 424 HE1 HIS 62 1HE HIS 62 -7.571 6.884 -6.776 425 H VAL 63 H VAL 63 -9.748 0.228 -6.998 426 HA VAL 63 HA VAL 63 -11.578 1.271 -8.670 427 HB VAL 63 HB VAL 63 -13.247 1.175 -6.745 428 HG11 VAL 63 1HG1 VAL 63 -12.632 -0.696 -8.331 429 HG12 VAL 63 2HG1 VAL 63 -11.577 -1.308 -7.056 430 HG13 VAL 63 3HG1 VAL 63 -13.315 -1.188 -6.782 431 HG21 VAL 63 3HG2 VAL 63 -11.091 -0.162 -5.176 432 HG22 VAL 63 1HG2 VAL 63 -11.255 1.592 -5.095 433 HG23 VAL 63 2HG2 VAL 63 -12.603 0.557 -4.624 434 H GLY 64 H GLY 64 -10.108 2.943 -5.964 435 HA2 GLY 64 1HA GLY 64 -9.900 5.390 -6.292 436 HA3 GLY 64 2HA GLY 64 -11.596 5.373 -6.753 437 H ASN 65 H ASN 65 -11.627 7.079 -5.042 438 HA ASN 65 HA ASN 65 -12.079 7.814 -2.929 439 HB2 ASN 65 1HB ASN 65 -13.528 5.228 -3.225 440 HB3 ASN 65 2HB ASN 65 -13.470 5.949 -1.619 441 HD21 ASN 65 1HD2 ASN 65 -15.164 5.807 -4.440 442 HD22 ASN 65 2HD2 ASN 65 -16.076 7.267 -4.298 443 H GLN 66 H GLN 66 -9.519 6.510 -3.285 444 HA GLN 66 HA GLN 66 -7.729 5.908 -2.017 445 HB2 GLN 66 1HB GLN 66 -9.538 6.318 0.366 446 HB3 GLN 66 2HB GLN 66 -7.780 6.299 0.366 447 HG2 GLN 66 1HG GLN 66 -9.479 8.338 -1.052 448 HG3 GLN 66 2HG GLN 66 -8.732 8.563 0.529 449 HE21 GLN 66 1HE2 GLN 66 -8.277 10.208 -1.701 450 HE22 GLN 66 2HE2 GLN 66 -6.618 10.054 -2.156 451 H GLN 67 H GLN 67 -9.661 3.947 -2.969 452 HA GLN 67 HA GLN 67 -9.178 1.818 -0.989 453 HB2 GLN 67 1HB GLN 67 -11.477 2.072 -2.936 454 HB3 GLN 67 2HB GLN 67 -11.190 0.688 -1.890 455 HG2 GLN 67 1HG GLN 67 -11.427 2.168 0.072 456 HG3 GLN 67 2HG GLN 67 -11.822 3.497 -1.017 457 HE21 GLN 67 1HE2 GLN 67 -13.254 1.726 1.099 458 HE22 GLN 67 2HE2 GLN 67 -14.774 1.396 0.348 459 H TYR 68 H TYR 68 -8.305 -0.083 -1.692 460 HA TYR 68 HA TYR 68 -7.607 -0.234 -4.552 461 HB2 TYR 68 1HB TYR 68 -5.940 -1.027 -2.158 462 HB3 TYR 68 2HB TYR 68 -5.524 -1.419 -3.822 463 HD1 TYR 68 1HD TYR 68 -5.755 1.250 -1.326 464 HD2 TYR 68 2HD TYR 68 -4.747 0.304 -5.351 465 HE1 TYR 68 1HE TYR 68 -4.616 3.419 -1.545 466 HE2 TYR 68 2HE TYR 68 -3.605 2.470 -5.580 467 HH TYR 68 HH TYR 68 -2.623 4.184 -4.250 468 H ASN 69 H ASN 69 -8.623 -1.860 -5.502 469 HA ASN 69 HA ASN 69 -9.610 -4.100 -3.939 470 HB2 ASN 69 1HB ASN 69 -10.788 -2.793 -5.922 471 HB3 ASN 69 2HB ASN 69 -9.918 -3.965 -6.907 472 HD21 ASN 69 1HD2 ASN 69 -10.026 -6.105 -5.039 473 HD22 ASN 69 2HD2 ASN 69 -11.660 -6.662 -4.985 474 H VAL 70 H VAL 70 -8.482 -5.898 -3.666 475 HA VAL 70 HA VAL 70 -6.569 -6.701 -5.760 476 HB VAL 70 HB VAL 70 -6.184 -7.091 -2.789 477 HG11 VAL 70 1HG1 VAL 70 -4.830 -8.726 -3.498 478 HG12 VAL 70 2HG1 VAL 70 -4.870 -8.159 -5.169 479 HG13 VAL 70 3HG1 VAL 70 -3.758 -7.424 -4.014 480 HG21 VAL 70 3HG2 VAL 70 -5.964 -4.712 -3.944 481 HG22 VAL 70 1HG2 VAL 70 -4.836 -5.254 -2.701 482 HG23 VAL 70 2HG2 VAL 70 -4.389 -5.361 -4.403 483 H THR 71 H THR 71 -6.938 -8.647 -6.582 484 HA THR 71 HA THR 71 -8.310 -10.657 -4.930 485 HB THR 71 HB THR 71 -8.917 -10.573 -7.850 486 HG1 THR 71 1HG THR 71 -10.525 -9.102 -6.057 487 HG21 THR 71 3HG2 THR 71 -11.042 -11.506 -7.096 488 HG22 THR 71 1HG2 THR 71 -10.556 -11.289 -5.415 489 HG23 THR 71 2HG2 THR 71 -9.692 -12.433 -6.442 490 H TYR 72 H TYR 72 -7.608 -12.735 -5.162 491 HA TYR 72 HA TYR 72 -5.604 -13.285 -7.238 492 HB2 TYR 72 1HB TYR 72 -4.279 -14.552 -5.531 493 HB3 TYR 72 2HB TYR 72 -4.307 -12.812 -5.272 494 HD1 TYR 72 1HD TYR 72 -5.761 -16.018 -4.116 495 HD2 TYR 72 2HD TYR 72 -5.140 -11.897 -3.261 496 HE1 TYR 72 1HE TYR 72 -6.561 -16.381 -1.818 497 HE2 TYR 72 2HE TYR 72 -5.938 -12.248 -0.961 498 HH TYR 72 HH TYR 72 -7.698 -14.415 0.064 499 H VAL 73 H VAL 73 -5.079 -15.730 -7.229 500 HA VAL 73 HA VAL 73 -7.437 -17.337 -6.565 501 HB VAL 73 HB VAL 73 -6.142 -17.322 -9.295 502 HG11 VAL 73 1HG1 VAL 73 -8.650 -18.748 -9.031 503 HG12 VAL 73 2HG1 VAL 73 -7.116 -19.280 -9.723 504 HG13 VAL 73 3HG1 VAL 73 -7.397 -19.418 -7.987 505 HG21 VAL 73 3HG2 VAL 73 -8.726 -16.776 -9.761 506 HG22 VAL 73 1HG2 VAL 73 -8.547 -16.020 -8.178 507 HG23 VAL 73 2HG2 VAL 73 -7.506 -15.527 -9.514 508 H VAL 74 H VAL 74 -6.823 -19.084 -5.490 509 HA VAL 74 HA VAL 74 -4.087 -20.099 -5.891 510 HB VAL 74 HB VAL 74 -4.313 -21.136 -3.657 511 HG11 VAL 74 1HG1 VAL 74 -4.817 -18.162 -3.712 512 HG12 VAL 74 2HG1 VAL 74 -4.128 -19.066 -2.362 513 HG13 VAL 74 3HG1 VAL 74 -3.252 -18.954 -3.889 514 HG21 VAL 74 3HG2 VAL 74 -6.898 -19.587 -3.494 515 HG22 VAL 74 1HG2 VAL 74 -6.764 -21.339 -3.649 516 HG23 VAL 74 2HG2 VAL 74 -6.161 -20.533 -2.200 517 H LYS 75 H LYS 75 -3.728 -22.250 -6.283 518 HA LYS 75 HA LYS 75 -6.068 -23.786 -7.132 519 HB2 LYS 75 1HB LYS 75 -3.143 -24.395 -7.583 520 HB3 LYS 75 2HB LYS 75 -4.513 -25.179 -8.359 521 HG2 LYS 75 1HG LYS 75 -3.873 -22.255 -8.661 522 HG3 LYS 75 2HG LYS 75 -3.312 -23.508 -9.771 523 HD2 LYS 75 1HD LYS 75 -6.222 -23.133 -9.112 524 HD3 LYS 75 2HD LYS 75 -5.430 -22.250 -10.420 525 HE2 LYS 75 1HE LYS 75 -5.391 -25.252 -10.188 526 HE3 LYS 75 2HE LYS 75 -6.624 -24.369 -11.088 527 HZ1 LYS 75 3HZ LYS 75 -3.812 -23.804 -11.676 528 HZ2 LYS 75 1HZ LYS 75 -5.156 -23.775 -12.704 529 HZ3 LYS 75 2HZ LYS 75 -4.468 -25.253 -12.252 530 H GLU 76 H GLU 76 -3.455 -23.821 -4.816 531 HA GLU 76 HA GLU 76 -4.264 -26.473 -3.865 532 HB2 GLU 76 1HB GLU 76 -1.787 -25.550 -4.255 533 HB3 GLU 76 2HB GLU 76 -2.013 -24.997 -2.601 534 HG2 GLU 76 1HG GLU 76 -2.833 -27.498 -2.282 535 HG3 GLU 76 2HG GLU 76 -1.775 -27.747 -3.670 536 H ARG 77 H ARG 77 -4.374 -26.774 -1.477 537 HA ARG 77 HA ARG 77 -5.663 -24.442 -0.216 538 HB2 ARG 77 1HB ARG 77 -6.975 -26.084 1.105 539 HB3 ARG 77 2HB ARG 77 -7.278 -26.190 -0.624 540 HG2 ARG 77 1HG ARG 77 -5.471 -28.051 -0.566 541 HG3 ARG 77 2HG ARG 77 -5.829 -28.091 1.161 542 HD2 ARG 77 1HD ARG 77 -8.175 -28.510 0.685 543 HD3 ARG 77 2HD ARG 77 -7.860 -28.401 -1.047 544 HE ARG 77 HE ARG 77 -6.199 -30.371 -0.281 545 HH11 ARG 77 1HH1 ARG 77 -9.584 -29.798 0.296 546 HH12 ARG 77 2HH1 ARG 77 -9.986 -31.480 0.393 547 HH21 ARG 77 1HH2 ARG 77 -6.716 -32.589 -0.155 548 HH22 ARG 77 2HH2 ARG 77 -8.354 -33.067 0.137 549 H GLY 78 H GLY 78 -5.762 -24.916 2.323 550 HA2 GLY 78 1HA GLY 78 -4.478 -25.840 4.183 551 HA3 GLY 78 2HA GLY 78 -3.051 -25.734 3.163 552 H ASP 79 H ASP 79 -2.062 -24.567 4.916 553 HA ASP 79 HA ASP 79 -3.105 -22.025 5.728 554 HB2 ASP 79 1HB ASP 79 -0.384 -23.284 6.126 555 HB3 ASP 79 2HB ASP 79 -0.904 -21.775 6.872 556 H TYR 80 H TYR 80 -2.785 -20.080 4.848 557 HA TYR 80 HA TYR 80 -0.745 -19.836 2.736 558 HB2 TYR 80 1HB TYR 80 -3.605 -19.005 2.792 559 HB3 TYR 80 2HB TYR 80 -2.465 -17.958 1.955 560 HD1 TYR 80 1HD TYR 80 -3.865 -21.382 2.047 561 HD2 TYR 80 2HD TYR 80 -1.604 -18.544 -0.175 562 HE1 TYR 80 1HE TYR 80 -3.993 -22.838 0.069 563 HE2 TYR 80 2HE TYR 80 -1.726 -19.992 -2.160 564 HH TYR 80 HH TYR 80 -2.378 -23.084 -2.141 565 H VAL 81 H VAL 81 -0.049 -17.563 2.343 566 HA VAL 81 HA VAL 81 -0.145 -15.930 4.790 567 HB VAL 81 HB VAL 81 2.324 -16.500 3.144 568 HG11 VAL 81 1HG1 VAL 81 1.768 -14.160 4.401 569 HG12 VAL 81 2HG1 VAL 81 2.578 -15.057 5.687 570 HG13 VAL 81 3HG1 VAL 81 3.393 -14.796 4.144 571 HG21 VAL 81 3HG2 VAL 81 2.136 -18.354 4.495 572 HG22 VAL 81 1HG2 VAL 81 3.067 -17.272 5.532 573 HG23 VAL 81 2HG2 VAL 81 1.332 -17.463 5.788 574 H LEU 82 H LEU 82 -0.512 -13.816 4.471 575 HA LEU 82 HA LEU 82 -0.400 -12.811 1.703 576 HB2 LEU 82 1HB LEU 82 -2.679 -12.950 2.373 577 HB3 LEU 82 2HB LEU 82 -2.330 -12.195 3.927 578 HG LEU 82 HG LEU 82 -1.818 -10.082 2.719 579 HD11 LEU 82 1HD1 LEU 82 -1.665 -9.980 0.507 580 HD12 LEU 82 2HD1 LEU 82 -3.235 -10.756 0.302 581 HD13 LEU 82 3HD1 LEU 82 -1.782 -11.740 0.479 582 HD21 LEU 82 3HD2 LEU 82 -4.418 -11.377 2.980 583 HD22 LEU 82 1HD2 LEU 82 -4.398 -10.078 1.788 584 HD23 LEU 82 2HD2 LEU 82 -3.904 -9.756 3.450 585 H ALA 83 H ALA 83 1.236 -11.451 1.451 586 HA ALA 83 HA ALA 83 2.105 -9.814 3.728 587 HB1 ALA 83 3HB ALA 83 4.096 -9.381 2.135 588 HB2 ALA 83 1HB ALA 83 3.962 -10.949 2.931 589 HB3 ALA 83 2HB ALA 83 3.474 -10.771 1.245 590 H VAL 84 H VAL 84 1.184 -7.872 3.802 591 HA VAL 84 HA VAL 84 0.799 -6.408 1.272 592 HB VAL 84 HB VAL 84 -0.797 -6.154 3.825 593 HG11 VAL 84 1HG1 VAL 84 -1.910 -4.369 2.946 594 HG12 VAL 84 2HG1 VAL 84 -0.332 -4.112 2.200 595 HG13 VAL 84 3HG1 VAL 84 -1.630 -4.872 1.280 596 HG21 VAL 84 3HG2 VAL 84 -1.110 -7.776 1.420 597 HG22 VAL 84 1HG2 VAL 84 -1.892 -7.919 2.995 598 HG23 VAL 84 2HG2 VAL 84 -2.529 -6.797 1.793 599 H LYS 85 H LYS 85 2.165 -4.779 1.031 600 HA LYS 85 HA LYS 85 3.285 -3.494 3.427 601 HB2 LYS 85 1HB LYS 85 4.299 -3.731 0.598 602 HB3 LYS 85 2HB LYS 85 5.000 -2.608 1.756 603 HG2 LYS 85 1HG LYS 85 5.536 -4.485 3.238 604 HG3 LYS 85 2HG LYS 85 4.858 -5.603 2.052 605 HD2 LYS 85 1HD LYS 85 7.084 -5.707 1.503 606 HD3 LYS 85 2HD LYS 85 6.552 -4.405 0.436 607 HE2 LYS 85 1HE LYS 85 7.508 -2.755 1.780 608 HE3 LYS 85 2HE LYS 85 7.599 -3.819 3.183 609 HZ1 LYS 85 3HZ LYS 85 9.451 -4.888 2.360 610 HZ2 LYS 85 1HZ LYS 85 9.730 -3.296 1.861 611 HZ3 LYS 85 2HZ LYS 85 9.150 -4.440 0.758 612 H TRP 86 H TRP 86 3.529 -1.192 3.457 613 HA TRP 86 HA TRP 86 1.799 0.267 1.584 614 HB2 TRP 86 1HB TRP 86 0.476 -0.095 3.595 615 HB3 TRP 86 2HB TRP 86 1.778 0.542 4.597 616 HD1 TRP 86 HD TRP 86 1.273 2.913 5.381 617 HE1 TRP 86 1HE TRP 86 0.049 4.964 4.423 618 HE3 TRP 86 3HE TRP 86 -0.165 0.969 0.877 619 HZ2 TRP 86 2HZ TRP 86 -1.342 5.666 2.069 620 HZ3 TRP 86 3HZ TRP 86 -1.439 2.396 -0.671 621 HH2 TRP 86 HH TRP 86 -2.015 4.695 -0.085 622 H GLY 87 H GLY 87 3.649 1.056 0.536 623 HA2 GLY 87 1HA GLY 87 5.365 2.531 0.153 624 HA3 GLY 87 2HA GLY 87 4.633 3.509 1.416 625 H GLU 88 H GLU 88 6.777 0.721 0.922 626 HA GLU 88 HA GLU 88 8.589 -0.027 2.077 627 HB2 GLU 88 1HB GLU 88 8.699 2.899 2.809 628 HB3 GLU 88 2HB GLU 88 9.953 1.749 3.248 629 HG2 GLU 88 1HG GLU 88 9.884 1.245 0.651 630 HG3 GLU 88 2HG GLU 88 9.267 2.895 0.604 631 H GLU 89 H GLU 89 6.165 -0.512 3.309 632 HA GLU 89 HA GLU 89 7.016 -0.822 6.046 633 HB2 GLU 89 1HB GLU 89 4.679 0.936 5.320 634 HB3 GLU 89 2HB GLU 89 4.813 0.166 6.895 635 HG2 GLU 89 1HG GLU 89 7.174 1.286 6.910 636 HG3 GLU 89 2HG GLU 89 6.448 2.351 5.709 637 H HIS 90 H HIS 90 5.148 -1.929 7.329 638 HA HIS 90 HA HIS 90 3.735 -3.791 5.538 639 HB2 HIS 90 1HB HIS 90 5.447 -4.372 7.929 640 HB3 HIS 90 2HB HIS 90 4.117 -5.454 7.523 641 HD1 HIS 90 1HD HIS 90 4.840 -7.352 6.133 642 HD2 HIS 90 2HD HIS 90 7.146 -3.969 5.425 643 HE1 HIS 90 1HE HIS 90 6.546 -8.047 4.421 644 H ILE 91 H ILE 91 1.636 -3.387 5.746 645 HA ILE 91 HA ILE 91 0.306 -1.960 7.629 646 HB ILE 91 HB ILE 91 -1.739 -3.128 7.030 647 HG12 ILE 91 1HG1 ILE 91 -0.117 -5.083 5.417 648 HG13 ILE 91 2HG1 ILE 91 -0.543 -5.419 7.091 649 HG21 ILE 91 1HG2 ILE 91 -1.338 -1.651 5.348 650 HG22 ILE 91 2HG2 ILE 91 0.229 -2.356 4.953 651 HG23 ILE 91 3HG2 ILE 91 -1.253 -3.146 4.417 652 HD11 ILE 91 3HD1 ILE 91 -2.072 -6.439 5.441 653 HD12 ILE 91 1HD1 ILE 91 -2.878 -5.348 6.568 654 HD13 ILE 91 2HD1 ILE 91 -2.535 -4.819 4.921 655 HA PRO 92 HA PRO 92 0.294 -4.158 11.433 656 HB2 PRO 92 1HB PRO 92 -2.071 -3.325 12.475 657 HB3 PRO 92 2HB PRO 92 -0.649 -2.280 12.363 658 HG2 PRO 92 1HG PRO 92 -3.037 -2.431 10.563 659 HG3 PRO 92 2HG PRO 92 -2.189 -1.001 11.179 660 HD2 PRO 92 1HD PRO 92 -1.798 -1.962 8.678 661 HD3 PRO 92 2HD PRO 92 -0.513 -1.162 9.605 662 H GLY 93 H GLY 93 0.123 -6.332 11.094 663 HA2 GLY 93 1HA GLY 93 -1.666 -8.002 11.894 664 HA3 GLY 93 2HA GLY 93 -2.545 -7.422 10.487 665 H SER 94 H SER 94 0.086 -7.161 9.028 666 HA SER 94 HA SER 94 0.113 -9.884 8.025 667 HB2 SER 94 1HB SER 94 0.159 -8.484 6.204 668 HB3 SER 94 2HB SER 94 1.076 -7.238 7.049 669 HG SER 94 HG SER 94 2.895 -8.167 6.474 670 HA PRO 95 HA PRO 95 1.618 -10.927 6.546 671 HB2 PRO 95 1HB PRO 95 2.339 -13.508 6.984 672 HB3 PRO 95 2HB PRO 95 3.436 -12.309 6.289 673 HG2 PRO 95 1HG PRO 95 3.250 -13.296 9.108 674 HG3 PRO 95 2HG PRO 95 4.692 -12.992 8.122 675 HD2 PRO 95 1HD PRO 95 3.812 -11.244 9.993 676 HD3 PRO 95 2HD PRO 95 4.631 -10.721 8.508 677 H PHE 96 H PHE 96 -0.467 -11.449 6.397 678 HA PHE 96 HA PHE 96 -1.974 -12.208 8.706 679 HB2 PHE 96 1HB PHE 96 -2.611 -11.651 5.836 680 HB3 PHE 96 2HB PHE 96 -3.808 -12.470 6.833 681 HD1 PHE 96 2HD PHE 96 -1.844 -9.375 6.449 682 HD2 PHE 96 1HD PHE 96 -5.072 -11.296 8.450 683 HE1 PHE 96 2HE PHE 96 -2.581 -7.203 7.337 684 HE2 PHE 96 1HE PHE 96 -5.816 -9.127 9.341 685 HZ PHE 96 HZ PHE 96 -4.569 -7.076 8.786 686 H HIS 97 H HIS 97 -3.507 -14.071 8.661 687 HA HIS 97 HA HIS 97 -2.187 -16.440 7.509 688 HB2 HIS 97 1HB HIS 97 -2.092 -16.404 9.956 689 HB3 HIS 97 2HB HIS 97 -3.842 -16.229 10.034 690 HD1 HIS 97 1HD HIS 97 -4.399 -18.406 11.168 691 HD2 HIS 97 2HD HIS 97 -2.040 -18.912 7.786 692 HE1 HIS 97 1HE HIS 97 -4.338 -20.886 10.756 693 H VAL 98 H VAL 98 -3.273 -17.101 5.774 694 HA VAL 98 HA VAL 98 -6.217 -16.994 5.828 695 HB VAL 98 HB VAL 98 -4.366 -17.105 3.442 696 HG11 VAL 98 1HG1 VAL 98 -6.598 -18.286 3.231 697 HG12 VAL 98 2HG1 VAL 98 -7.346 -16.698 3.411 698 HG13 VAL 98 3HG1 VAL 98 -6.270 -17.019 2.050 699 HG21 VAL 98 3HG2 VAL 98 -6.226 -14.846 3.979 700 HG22 VAL 98 1HG2 VAL 98 -4.729 -14.939 4.907 701 HG23 VAL 98 2HG2 VAL 98 -4.672 -14.857 3.146 702 H THR 99 H THR 99 -7.229 -18.864 6.072 703 HA THR 99 HA THR 99 -5.781 -21.354 5.534 704 HB THR 99 HB THR 99 -8.349 -20.905 7.068 705 HG1 THR 99 1HG THR 99 -6.610 -21.792 8.708 706 HG21 THR 99 3HG2 THR 99 -7.655 -23.300 7.876 707 HG22 THR 99 1HG2 THR 99 -6.811 -23.359 6.330 708 HG23 THR 99 2HG2 THR 99 -8.554 -23.097 6.373 709 H VAL 100 H VAL 100 -6.552 -22.930 4.170 710 HA VAL 100 HA VAL 100 -8.984 -22.306 2.635 711 HB VAL 100 HB VAL 100 -6.391 -23.310 1.452 712 HG11 VAL 100 1HG1 VAL 100 -7.644 -22.901 -0.713 713 HG12 VAL 100 2HG1 VAL 100 -8.158 -24.297 0.236 714 HG13 VAL 100 3HG1 VAL 100 -9.109 -22.812 0.264 715 HG21 VAL 100 3HG2 VAL 100 -6.334 -21.162 0.276 716 HG22 VAL 100 1HG2 VAL 100 -7.784 -20.651 1.141 717 HG23 VAL 100 2HG2 VAL 100 -6.285 -20.940 2.025 718 HA PRO 101 HA PRO 101 -9.905 -26.482 3.870 719 HB2 PRO 101 1HB PRO 101 -12.292 -26.637 2.585 720 HB3 PRO 101 2HB PRO 101 -12.075 -25.765 4.108 721 HG2 PRO 101 1HG PRO 101 -12.168 -24.700 1.312 722 HG3 PRO 101 2HG PRO 101 -12.926 -24.056 2.780 723 HD2 PRO 101 1HD PRO 101 -10.631 -23.043 1.762 724 HD3 PRO 101 2HD PRO 101 -10.976 -23.063 3.503 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.995 17.230 20.051 2 HA2 GLY 1 1HA GLY 1 3.212 15.260 19.000 3 HA3 GLY 1 2HA GLY 1 2.338 16.537 18.167 4 H SER 2 H SER 2 2.461 14.451 16.687 5 HA SER 2 HA SER 2 4.793 13.880 15.254 6 HB2 SER 2 1HB SER 2 1.870 13.595 14.576 7 HB3 SER 2 2HB SER 2 3.134 13.103 13.450 8 HG SER 2 HG SER 2 3.700 11.495 14.755 9 H SER 3 H SER 3 2.086 16.021 14.364 10 HA SER 3 HA SER 3 1.918 17.702 12.833 11 HB2 SER 3 1HB SER 3 3.591 18.591 14.578 12 HB3 SER 3 2HB SER 3 4.830 18.266 13.366 13 HG SER 3 HG SER 3 3.153 19.550 11.999 14 H GLY 4 H GLY 4 2.409 15.234 11.665 15 HA2 GLY 4 1HA GLY 4 4.460 15.677 9.626 16 HA3 GLY 4 2HA GLY 4 3.577 14.183 9.901 17 H SER 5 H SER 5 3.517 17.321 8.380 18 HA SER 5 HA SER 5 0.933 16.795 7.143 19 HB2 SER 5 1HB SER 5 1.297 19.060 7.908 20 HB3 SER 5 2HB SER 5 2.799 19.174 6.990 21 HG SER 5 HG SER 5 1.519 18.921 5.081 22 H SER 6 H SER 6 4.287 17.413 6.134 23 HA SER 6 HA SER 6 4.167 17.312 3.447 24 HB2 SER 6 1HB SER 6 6.147 16.096 5.349 25 HB3 SER 6 2HB SER 6 6.350 15.889 3.609 26 HG SER 6 HG SER 6 6.817 17.954 3.402 27 H GLY 7 H GLY 7 4.126 14.450 5.559 28 HA2 GLY 7 1HA GLY 7 2.310 12.983 4.062 29 HA3 GLY 7 2HA GLY 7 3.900 12.573 3.438 30 H SER 8 H SER 8 5.384 11.482 4.777 31 HA SER 8 HA SER 8 5.941 9.822 6.235 32 HB2 SER 8 1HB SER 8 4.292 11.547 8.098 33 HB3 SER 8 2HB SER 8 5.378 10.258 8.616 34 HG SER 8 HG SER 8 7.012 11.547 8.335 35 H SER 9 H SER 9 3.753 9.215 4.602 36 HA SER 9 HA SER 9 1.409 8.345 5.592 37 HB2 SER 9 1HB SER 9 3.176 6.641 3.820 38 HB3 SER 9 2HB SER 9 1.419 6.556 3.944 39 HG SER 9 HG SER 9 2.993 8.288 2.526 40 H ASP 10 H ASP 10 0.626 6.807 6.931 41 HA ASP 10 HA ASP 10 2.602 5.109 8.305 42 HB2 ASP 10 1HB ASP 10 1.154 6.959 9.527 43 HB3 ASP 10 2HB ASP 10 -0.068 5.691 9.509 44 H ALA 11 H ALA 11 2.151 2.948 8.659 45 HA ALA 11 HA ALA 11 0.196 1.794 6.841 46 HB1 ALA 11 3HB ALA 11 2.584 0.981 7.044 47 HB2 ALA 11 1HB ALA 11 2.117 0.290 8.598 48 HB3 ALA 11 2HB ALA 11 1.331 -0.257 7.117 49 H SER 12 H SER 12 0.919 1.843 10.306 50 HA SER 12 HA SER 12 -0.886 0.024 11.273 51 HB2 SER 12 1HB SER 12 0.628 1.135 12.776 52 HB3 SER 12 2HB SER 12 -0.094 2.706 12.427 53 HG SER 12 HG SER 12 -0.868 0.803 14.204 54 H LYS 13 H LYS 13 -1.529 3.104 9.828 55 HA LYS 13 HA LYS 13 -4.237 3.291 10.793 56 HB2 LYS 13 1HB LYS 13 -2.880 4.815 8.561 57 HB3 LYS 13 2HB LYS 13 -4.410 5.233 9.321 58 HG2 LYS 13 1HG LYS 13 -1.727 5.184 10.687 59 HG3 LYS 13 2HG LYS 13 -2.586 6.626 10.139 60 HD2 LYS 13 1HD LYS 13 -3.661 4.661 12.160 61 HD3 LYS 13 2HD LYS 13 -2.838 6.167 12.572 62 HE2 LYS 13 1HE LYS 13 -4.998 6.893 12.643 63 HE3 LYS 13 2HE LYS 13 -4.655 7.181 10.938 64 HZ1 LYS 13 3HZ LYS 13 -6.768 5.828 11.781 65 HZ2 LYS 13 1HZ LYS 13 -5.677 4.545 11.619 66 HZ3 LYS 13 2HZ LYS 13 -6.025 5.531 10.290 67 H VAL 14 H VAL 14 -2.627 2.314 7.806 68 HA VAL 14 HA VAL 14 -4.835 2.034 6.145 69 HB VAL 14 HB VAL 14 -2.238 0.516 6.252 70 HG11 VAL 14 1HG1 VAL 14 -4.623 0.065 4.523 71 HG12 VAL 14 2HG1 VAL 14 -3.012 -0.121 3.826 72 HG13 VAL 14 3HG1 VAL 14 -3.493 -1.101 5.212 73 HG21 VAL 14 3HG2 VAL 14 -3.351 2.675 4.471 74 HG22 VAL 14 1HG2 VAL 14 -1.975 2.781 5.570 75 HG23 VAL 14 2HG2 VAL 14 -1.869 1.787 4.117 76 H THR 15 H THR 15 -6.471 0.628 5.998 77 HA THR 15 HA THR 15 -6.387 -1.777 7.702 78 HB THR 15 HB THR 15 -8.850 -1.566 7.950 79 HG1 THR 15 1HG THR 15 -9.659 -0.263 6.458 80 HG21 THR 15 3HG2 THR 15 -8.272 0.982 9.075 81 HG22 THR 15 1HG2 THR 15 -6.825 -0.017 9.208 82 HG23 THR 15 2HG2 THR 15 -8.352 -0.583 9.885 83 H SER 16 H SER 16 -7.661 -3.589 6.960 84 HA SER 16 HA SER 16 -8.350 -3.546 4.110 85 HB2 SER 16 1HB SER 16 -7.202 -5.704 3.765 86 HB3 SER 16 2HB SER 16 -6.071 -4.437 4.241 87 HG SER 16 HG SER 16 -6.371 -5.285 6.440 88 H LYS 17 H LYS 17 -10.132 -4.693 3.594 89 HA LYS 17 HA LYS 17 -11.275 -6.460 5.653 90 HB2 LYS 17 1HB LYS 17 -13.478 -5.597 5.233 91 HB3 LYS 17 2HB LYS 17 -12.418 -4.241 5.591 92 HG2 LYS 17 1HG LYS 17 -12.176 -4.101 3.003 93 HG3 LYS 17 2HG LYS 17 -13.677 -5.029 3.006 94 HD2 LYS 17 1HD LYS 17 -14.760 -3.317 4.347 95 HD3 LYS 17 2HD LYS 17 -13.251 -2.406 4.438 96 HE2 LYS 17 1HE LYS 17 -14.487 -1.346 2.752 97 HE3 LYS 17 2HE LYS 17 -13.328 -2.356 1.889 98 HZ1 LYS 17 3HZ LYS 17 -15.116 -4.051 1.709 99 HZ2 LYS 17 1HZ LYS 17 -15.444 -2.619 0.870 100 HZ3 LYS 17 2HZ LYS 17 -16.203 -2.924 2.350 101 H GLY 18 H GLY 18 -12.696 -8.120 4.858 102 HA2 GLY 18 1HA GLY 18 -13.685 -8.948 2.637 103 HA3 GLY 18 2HA GLY 18 -12.013 -8.898 2.099 104 H ALA 19 H ALA 19 -13.197 -11.245 1.825 105 HA ALA 19 HA ALA 19 -12.827 -12.898 4.172 106 HB1 ALA 19 3HB ALA 19 -14.066 -14.443 3.104 107 HB2 ALA 19 1HB ALA 19 -14.498 -13.093 2.056 108 HB3 ALA 19 2HB ALA 19 -13.224 -14.213 1.572 109 H GLY 20 H GLY 20 -11.287 -12.489 0.997 110 HA2 GLY 20 1HA GLY 20 -9.438 -14.504 1.008 111 HA3 GLY 20 2HA GLY 20 -9.119 -12.909 0.344 112 H LEU 21 H LEU 21 -9.391 -11.591 2.951 113 HA LEU 21 HA LEU 21 -6.676 -11.881 3.802 114 HB2 LEU 21 1HB LEU 21 -8.916 -10.321 5.079 115 HB3 LEU 21 2HB LEU 21 -7.194 -10.131 5.402 116 HG LEU 21 HG LEU 21 -8.365 -9.633 2.679 117 HD11 LEU 21 1HD1 LEU 21 -8.022 -7.641 4.916 118 HD12 LEU 21 2HD1 LEU 21 -9.557 -8.208 4.257 119 HD13 LEU 21 3HD1 LEU 21 -8.460 -7.263 3.249 120 HD21 LEU 21 3HD2 LEU 21 -6.286 -9.086 2.112 121 HD22 LEU 21 1HD2 LEU 21 -5.761 -9.757 3.657 122 HD23 LEU 21 2HD2 LEU 21 -6.112 -8.034 3.518 123 H SER 22 H SER 22 -9.787 -12.982 4.955 124 HA SER 22 HA SER 22 -8.702 -13.920 7.475 125 HB2 SER 22 1HB SER 22 -11.082 -12.999 7.093 126 HB3 SER 22 2HB SER 22 -11.438 -14.582 6.402 127 HG SER 22 HG SER 22 -11.739 -14.133 8.809 128 H LYS 23 H LYS 23 -10.336 -15.450 4.698 129 HA LYS 23 HA LYS 23 -8.496 -17.676 4.786 130 HB2 LYS 23 1HB LYS 23 -10.173 -19.395 5.116 131 HB3 LYS 23 2HB LYS 23 -10.181 -18.293 6.488 132 HG2 LYS 23 1HG LYS 23 -12.070 -17.115 5.051 133 HG3 LYS 23 2HG LYS 23 -12.236 -18.749 4.402 134 HD2 LYS 23 1HD LYS 23 -12.257 -18.089 7.345 135 HD3 LYS 23 2HD LYS 23 -13.712 -18.257 6.359 136 HE2 LYS 23 1HE LYS 23 -11.717 -20.460 6.303 137 HE3 LYS 23 2HE LYS 23 -12.711 -20.282 7.748 138 HZ1 LYS 23 3HZ LYS 23 -14.586 -20.860 6.643 139 HZ2 LYS 23 1HZ LYS 23 -13.482 -21.706 5.680 140 HZ3 LYS 23 2HZ LYS 23 -14.076 -20.208 5.168 141 H ALA 24 H ALA 24 -8.578 -18.987 2.916 142 HA ALA 24 HA ALA 24 -10.196 -17.856 0.726 143 HB1 ALA 24 3HB ALA 24 -7.973 -19.181 -0.380 144 HB2 ALA 24 1HB ALA 24 -8.303 -17.448 -0.356 145 HB3 ALA 24 2HB ALA 24 -7.363 -18.185 0.942 146 H PHE 25 H PHE 25 -10.564 -19.406 -1.093 147 HA PHE 25 HA PHE 25 -10.712 -22.197 -0.196 148 HB2 PHE 25 1HB PHE 25 -13.002 -20.871 -1.640 149 HB3 PHE 25 2HB PHE 25 -12.986 -22.433 -0.829 150 HD1 PHE 25 1HD PHE 25 -12.484 -22.348 1.741 151 HD2 PHE 25 2HD PHE 25 -13.909 -19.059 -0.555 152 HE1 PHE 25 1HE PHE 25 -13.343 -21.293 3.791 153 HE2 PHE 25 2HE PHE 25 -14.769 -17.998 1.492 154 HZ PHE 25 HZ PHE 25 -14.486 -19.115 3.669 155 H VAL 26 H VAL 26 -9.598 -23.360 -1.606 156 HA VAL 26 HA VAL 26 -8.477 -22.739 -3.944 157 HB VAL 26 HB VAL 26 -9.863 -25.369 -3.407 158 HG11 VAL 26 1HG1 VAL 26 -7.609 -25.806 -4.976 159 HG12 VAL 26 2HG1 VAL 26 -9.294 -25.904 -5.492 160 HG13 VAL 26 3HG1 VAL 26 -8.393 -24.402 -5.700 161 HG21 VAL 26 3HG2 VAL 26 -8.359 -25.365 -1.718 162 HG22 VAL 26 1HG2 VAL 26 -7.247 -25.842 -3.002 163 HG23 VAL 26 2HG2 VAL 26 -7.333 -24.156 -2.491 164 H GLY 27 H GLY 27 -9.041 -22.169 -5.952 165 HA2 GLY 27 1HA GLY 27 -10.315 -22.120 -7.908 166 HA3 GLY 27 2HA GLY 27 -11.592 -22.990 -7.070 167 H GLN 28 H GLN 28 -12.144 -21.398 -4.940 168 HA GLN 28 HA GLN 28 -13.786 -19.418 -6.057 169 HB2 GLN 28 1HB GLN 28 -12.837 -19.529 -3.193 170 HB3 GLN 28 2HB GLN 28 -14.308 -18.778 -3.798 171 HG2 GLN 28 1HG GLN 28 -15.020 -21.083 -4.548 172 HG3 GLN 28 2HG GLN 28 -13.668 -21.703 -3.602 173 HE21 GLN 28 1HE2 GLN 28 -15.132 -22.833 -2.279 174 HE22 GLN 28 2HE2 GLN 28 -16.051 -22.023 -1.061 175 H LYS 29 H LYS 29 -13.539 -17.281 -6.419 176 HA LYS 29 HA LYS 29 -10.864 -16.211 -6.388 177 HB2 LYS 29 1HB LYS 29 -12.740 -15.850 -8.158 178 HB3 LYS 29 2HB LYS 29 -13.316 -14.611 -7.050 179 HG2 LYS 29 1HG LYS 29 -11.256 -13.401 -7.234 180 HG3 LYS 29 2HG LYS 29 -10.529 -14.699 -8.185 181 HD2 LYS 29 1HD LYS 29 -13.041 -13.386 -9.137 182 HD3 LYS 29 2HD LYS 29 -11.487 -12.584 -9.377 183 HE2 LYS 29 1HE LYS 29 -11.614 -13.782 -11.318 184 HE3 LYS 29 2HE LYS 29 -10.792 -14.957 -10.292 185 HZ1 LYS 29 3HZ LYS 29 -13.487 -15.362 -9.885 186 HZ2 LYS 29 1HZ LYS 29 -12.431 -16.350 -10.764 187 HZ3 LYS 29 2HZ LYS 29 -13.323 -15.151 -11.556 188 H SER 30 H SER 30 -10.028 -15.429 -4.571 189 HA SER 30 HA SER 30 -11.775 -14.201 -2.577 190 HB2 SER 30 1HB SER 30 -9.027 -15.368 -2.546 191 HB3 SER 30 2HB SER 30 -9.421 -14.137 -1.346 192 HG SER 30 HG SER 30 -10.586 -16.675 -1.734 193 H SER 31 H SER 31 -11.977 -12.076 -2.395 194 HA SER 31 HA SER 31 -9.853 -10.360 -3.503 195 HB2 SER 31 1HB SER 31 -11.392 -8.955 -4.518 196 HB3 SER 31 2HB SER 31 -12.184 -10.518 -4.720 197 HG SER 31 HG SER 31 -13.656 -9.021 -3.907 198 H PHE 32 H PHE 32 -9.683 -8.230 -2.523 199 HA PHE 32 HA PHE 32 -10.999 -7.737 -0.011 200 HB2 PHE 32 1HB PHE 32 -8.942 -7.697 1.342 201 HB3 PHE 32 2HB PHE 32 -9.271 -9.309 0.716 202 HD1 PHE 32 2HD PHE 32 -7.883 -10.265 -1.048 203 HD2 PHE 32 1HD PHE 32 -7.025 -6.450 0.634 204 HE1 PHE 32 2HE PHE 32 -5.623 -10.349 -2.017 205 HE2 PHE 32 1HE PHE 32 -4.764 -6.528 -0.333 206 HZ PHE 32 HZ PHE 32 -4.060 -8.480 -1.659 207 H LEU 33 H LEU 33 -11.046 -5.604 0.458 208 HA LEU 33 HA LEU 33 -9.544 -3.826 -1.335 209 HB2 LEU 33 1HB LEU 33 -12.065 -3.761 -1.282 210 HB3 LEU 33 2HB LEU 33 -11.933 -3.122 0.355 211 HG LEU 33 HG LEU 33 -10.459 -1.291 -0.803 212 HD11 LEU 33 1HD1 LEU 33 -10.668 -0.973 -3.038 213 HD12 LEU 33 2HD1 LEU 33 -12.272 -1.702 -3.107 214 HD13 LEU 33 3HD1 LEU 33 -10.841 -2.728 -3.010 215 HD21 LEU 33 3HD2 LEU 33 -13.287 -1.571 -0.267 216 HD22 LEU 33 1HD2 LEU 33 -12.981 -0.423 -1.570 217 HD23 LEU 33 2HD2 LEU 33 -12.218 -0.194 0.004 218 H VAL 34 H VAL 34 -8.542 -1.942 -0.508 219 HA VAL 34 HA VAL 34 -8.004 -2.014 2.389 220 HB VAL 34 HB VAL 34 -6.039 -1.332 0.198 221 HG11 VAL 34 1HG1 VAL 34 -5.790 0.022 2.264 222 HG12 VAL 34 2HG1 VAL 34 -5.579 -1.475 3.174 223 HG13 VAL 34 3HG1 VAL 34 -4.408 -1.022 1.935 224 HG21 VAL 34 3HG2 VAL 34 -5.006 -3.382 1.737 225 HG22 VAL 34 1HG2 VAL 34 -6.709 -3.805 1.563 226 HG23 VAL 34 2HG2 VAL 34 -5.715 -3.540 0.130 227 H ASP 35 H ASP 35 -8.613 -0.228 3.401 228 HA ASP 35 HA ASP 35 -9.180 2.179 1.859 229 HB2 ASP 35 1HB ASP 35 -10.958 1.698 3.301 230 HB3 ASP 35 2HB ASP 35 -9.887 1.241 4.622 231 H CYS 36 H CYS 36 -7.636 3.641 1.610 232 HA CYS 36 HA CYS 36 -5.707 4.036 3.803 233 HB2 CYS 36 1HB CYS 36 -5.283 4.400 0.830 234 HB3 CYS 36 2HB CYS 36 -4.099 4.786 2.072 235 HG CYS 36 HG CYS 36 -5.218 1.693 1.159 236 H SER 37 H SER 37 -8.224 5.343 3.659 237 HA SER 37 HA SER 37 -8.006 7.927 2.510 238 HB2 SER 37 1HB SER 37 -10.031 8.450 3.698 239 HB3 SER 37 2HB SER 37 -10.159 6.783 3.135 240 HG SER 37 HG SER 37 -9.355 6.217 5.304 241 H LYS 38 H LYS 38 -7.431 6.664 5.765 242 HA LYS 38 HA LYS 38 -6.182 9.240 6.466 243 HB2 LYS 38 1HB LYS 38 -7.537 7.205 8.243 244 HB3 LYS 38 2HB LYS 38 -6.628 8.585 8.845 245 HG2 LYS 38 1HG LYS 38 -9.040 8.792 7.056 246 HG3 LYS 38 2HG LYS 38 -9.081 8.927 8.816 247 HD2 LYS 38 1HD LYS 38 -7.463 10.820 8.634 248 HD3 LYS 38 2HD LYS 38 -7.637 10.733 6.879 249 HE2 LYS 38 1HE LYS 38 -9.108 12.435 7.612 250 HE3 LYS 38 2HE LYS 38 -10.116 11.040 7.230 251 HZ1 LYS 38 3HZ LYS 38 -10.025 12.446 9.612 252 HZ2 LYS 38 1HZ LYS 38 -9.315 10.945 9.938 253 HZ3 LYS 38 2HZ LYS 38 -10.877 11.020 9.294 254 H ALA 39 H ALA 39 -4.822 7.191 5.045 255 HA ALA 39 HA ALA 39 -2.959 6.166 7.084 256 HB1 ALA 39 3HB ALA 39 -3.834 5.107 4.438 257 HB2 ALA 39 1HB ALA 39 -2.227 4.701 5.041 258 HB3 ALA 39 2HB ALA 39 -3.657 4.275 5.983 259 H GLY 40 H GLY 40 -2.961 7.350 3.711 260 HA2 GLY 40 1HA GLY 40 -1.205 9.421 3.940 261 HA3 GLY 40 2HA GLY 40 -0.162 8.010 3.831 262 H SER 41 H SER 41 0.199 9.777 1.912 263 HA SER 41 HA SER 41 -1.462 9.054 -0.380 264 HB2 SER 41 1HB SER 41 0.642 11.175 0.051 265 HB3 SER 41 2HB SER 41 -0.032 10.823 -1.541 266 HG SER 41 HG SER 41 -2.112 11.072 -0.054 267 H ASN 42 H ASN 42 0.266 7.062 0.748 268 HA ASN 42 HA ASN 42 2.499 6.835 -1.105 269 HB2 ASN 42 1HB ASN 42 1.655 5.452 1.393 270 HB3 ASN 42 2HB ASN 42 2.627 4.532 0.247 271 HD21 ASN 42 1HD2 ASN 42 3.873 4.749 2.441 272 HD22 ASN 42 2HD2 ASN 42 5.061 6.004 2.460 273 H MET 43 H MET 43 2.794 4.368 -1.831 274 HA MET 43 HA MET 43 0.404 3.779 -3.418 275 HB2 MET 43 1HB MET 43 1.817 2.667 -4.958 276 HB3 MET 43 2HB MET 43 2.670 4.135 -4.501 277 HG2 MET 43 1HG MET 43 4.341 2.561 -4.432 278 HG3 MET 43 2HG MET 43 3.826 2.628 -2.748 279 HE1 MET 43 3HE MET 43 3.239 -0.738 -5.766 280 HE2 MET 43 1HE MET 43 2.012 0.527 -5.842 281 HE3 MET 43 2HE MET 43 3.712 0.932 -6.079 282 H LEU 44 H LEU 44 -0.198 1.521 -3.763 283 HA LEU 44 HA LEU 44 0.343 -0.127 -1.381 284 HB2 LEU 44 1HB LEU 44 -2.000 0.822 -1.728 285 HB3 LEU 44 2HB LEU 44 -2.128 -0.302 -3.080 286 HG LEU 44 HG LEU 44 -1.558 -2.114 -1.323 287 HD11 LEU 44 1HD1 LEU 44 -2.074 0.282 0.358 288 HD12 LEU 44 2HD1 LEU 44 -0.960 -1.061 0.611 289 HD13 LEU 44 3HD1 LEU 44 -2.685 -1.278 0.907 290 HD21 LEU 44 3HD2 LEU 44 -4.229 -0.736 -1.117 291 HD22 LEU 44 1HD2 LEU 44 -3.875 -2.446 -0.872 292 HD23 LEU 44 2HD2 LEU 44 -3.745 -1.741 -2.484 293 H LEU 45 H LEU 45 1.371 -1.972 -1.741 294 HA LEU 45 HA LEU 45 1.051 -3.298 -4.344 295 HB2 LEU 45 1HB LEU 45 3.375 -3.747 -4.516 296 HB3 LEU 45 2HB LEU 45 3.187 -2.018 -4.230 297 HG LEU 45 HG LEU 45 5.071 -2.808 -2.980 298 HD11 LEU 45 1HD1 LEU 45 3.151 -1.291 -1.941 299 HD12 LEU 45 2HD1 LEU 45 4.586 -1.756 -1.029 300 HD13 LEU 45 3HD1 LEU 45 3.074 -2.633 -0.799 301 HD21 LEU 45 3HD2 LEU 45 3.954 -5.205 -2.894 302 HD22 LEU 45 1HD2 LEU 45 3.435 -4.638 -1.307 303 HD23 LEU 45 2HD2 LEU 45 5.153 -4.696 -1.704 304 H ILE 46 H ILE 46 1.961 -5.594 -4.243 305 HA ILE 46 HA ILE 46 1.536 -6.778 -1.586 306 HB ILE 46 HB ILE 46 0.421 -7.934 -4.143 307 HG12 ILE 46 1HG1 ILE 46 -0.716 -5.825 -3.372 308 HG13 ILE 46 2HG1 ILE 46 -1.756 -7.244 -3.409 309 HG21 ILE 46 1HG2 ILE 46 0.339 -8.784 -1.266 310 HG22 ILE 46 2HG2 ILE 46 -0.851 -9.347 -2.438 311 HG23 ILE 46 3HG2 ILE 46 0.859 -9.707 -2.675 312 HD11 ILE 46 3HD1 ILE 46 -1.297 -7.494 -0.947 313 HD12 ILE 46 1HD1 ILE 46 -0.551 -5.898 -1.014 314 HD13 ILE 46 2HD1 ILE 46 -2.256 -6.092 -1.419 315 H GLY 47 H GLY 47 2.600 -8.764 -1.208 316 HA2 GLY 47 1HA GLY 47 4.627 -9.486 -3.231 317 HA3 GLY 47 2HA GLY 47 5.059 -9.288 -1.539 318 H VAL 48 H VAL 48 2.426 -10.956 -3.274 319 HA VAL 48 HA VAL 48 1.956 -13.000 -1.538 320 HB VAL 48 HB VAL 48 1.374 -14.410 -3.556 321 HG11 VAL 48 1HG1 VAL 48 -0.307 -13.064 -2.497 322 HG12 VAL 48 2HG1 VAL 48 0.265 -11.616 -3.328 323 HG13 VAL 48 3HG1 VAL 48 -0.493 -12.918 -4.245 324 HG21 VAL 48 3HG2 VAL 48 3.063 -13.418 -5.065 325 HG22 VAL 48 1HG2 VAL 48 1.434 -13.375 -5.740 326 HG23 VAL 48 2HG2 VAL 48 2.146 -11.911 -5.061 327 H HIS 49 H HIS 49 2.928 -14.835 -0.891 328 HA HIS 49 HA HIS 49 5.688 -15.230 -1.466 329 HB2 HIS 49 1HB HIS 49 5.558 -17.106 0.052 330 HB3 HIS 49 2HB HIS 49 4.628 -15.770 0.724 331 HD1 HIS 49 1HD HIS 49 1.922 -15.976 0.104 332 HD2 HIS 49 2HD HIS 49 4.210 -19.445 0.085 333 HE1 HIS 49 1HE HIS 49 0.277 -17.868 0.303 334 H GLY 50 H GLY 50 6.630 -17.243 -2.277 335 HA2 GLY 50 1HA GLY 50 4.953 -18.931 -3.936 336 HA3 GLY 50 2HA GLY 50 6.063 -17.895 -4.820 337 HA PRO 51 HA PRO 51 9.010 -20.700 -2.273 338 HB2 PRO 51 1HB PRO 51 7.916 -22.430 -0.490 339 HB3 PRO 51 2HB PRO 51 8.358 -20.771 -0.071 340 HG2 PRO 51 1HG PRO 51 5.673 -21.898 -0.767 341 HG3 PRO 51 2HG PRO 51 6.107 -20.751 0.514 342 HD2 PRO 51 1HD PRO 51 5.002 -19.967 -1.830 343 HD3 PRO 51 2HD PRO 51 6.156 -18.959 -0.934 344 H THR 52 H THR 52 5.900 -22.401 -2.664 345 HA THR 52 HA THR 52 7.271 -24.320 -4.427 346 HB THR 52 HB THR 52 5.742 -26.094 -3.577 347 HG1 THR 52 1HG THR 52 4.173 -25.493 -2.304 348 HG21 THR 52 3HG2 THR 52 7.582 -24.771 -1.584 349 HG22 THR 52 1HG2 THR 52 7.985 -26.054 -2.725 350 HG23 THR 52 2HG2 THR 52 6.898 -26.383 -1.375 351 H THR 53 H THR 53 3.972 -23.442 -3.378 352 HA THR 53 HA THR 53 3.171 -23.483 -6.215 353 HB THR 53 HB THR 53 0.888 -24.010 -5.458 354 HG1 THR 53 1HG THR 53 1.329 -23.081 -3.267 355 HG21 THR 53 3HG2 THR 53 1.301 -26.325 -4.758 356 HG22 THR 53 1HG2 THR 53 2.977 -25.917 -4.396 357 HG23 THR 53 2HG2 THR 53 2.391 -25.844 -6.058 358 HA PRO 54 HA PRO 54 2.689 -19.097 -5.118 359 HB2 PRO 54 1HB PRO 54 2.816 -18.230 -7.688 360 HB3 PRO 54 2HB PRO 54 4.253 -18.595 -6.725 361 HG2 PRO 54 1HG PRO 54 2.871 -20.277 -8.781 362 HG3 PRO 54 2HG PRO 54 4.607 -20.010 -8.536 363 HD2 PRO 54 1HD PRO 54 3.340 -22.239 -7.667 364 HD3 PRO 54 2HD PRO 54 4.727 -21.535 -6.812 365 H CYS 55 H CYS 55 1.253 -17.398 -6.468 366 HA CYS 55 HA CYS 55 -1.414 -18.569 -6.490 367 HB2 CYS 55 1HB CYS 55 -2.238 -16.309 -6.369 368 HB3 CYS 55 2HB CYS 55 -0.932 -16.483 -5.204 369 HG CYS 55 HG CYS 55 0.964 -15.220 -6.890 370 H GLU 56 H GLU 56 -2.928 -18.151 -8.192 371 HA GLU 56 HA GLU 56 -1.904 -18.640 -10.762 372 HB2 GLU 56 1HB GLU 56 -4.312 -18.977 -9.681 373 HB3 GLU 56 2HB GLU 56 -4.612 -17.433 -10.466 374 HG2 GLU 56 1HG GLU 56 -3.350 -19.580 -12.074 375 HG3 GLU 56 2HG GLU 56 -5.059 -19.739 -11.673 376 H GLU 57 H GLU 57 -3.172 -15.679 -9.278 377 HA GLU 57 HA GLU 57 -1.493 -14.000 -10.818 378 HB2 GLU 57 1HB GLU 57 -3.166 -12.873 -12.189 379 HB3 GLU 57 2HB GLU 57 -3.077 -14.579 -12.603 380 HG2 GLU 57 1HG GLU 57 -5.061 -14.939 -11.106 381 HG3 GLU 57 2HG GLU 57 -5.201 -13.185 -11.000 382 H VAL 58 H VAL 58 -2.118 -11.640 -10.519 383 HA VAL 58 HA VAL 58 -3.670 -11.214 -8.064 384 HB VAL 58 HB VAL 58 -0.937 -10.011 -8.521 385 HG11 VAL 58 1HG1 VAL 58 -1.496 -9.693 -5.891 386 HG12 VAL 58 2HG1 VAL 58 -1.804 -8.471 -7.126 387 HG13 VAL 58 3HG1 VAL 58 -3.105 -9.536 -6.593 388 HG21 VAL 58 3HG2 VAL 58 -0.012 -11.781 -7.543 389 HG22 VAL 58 1HG2 VAL 58 -1.139 -11.676 -6.190 390 HG23 VAL 58 2HG2 VAL 58 -1.574 -12.594 -7.632 391 H SER 59 H SER 59 -5.255 -9.903 -8.694 392 HA SER 59 HA SER 59 -4.708 -7.827 -10.685 393 HB2 SER 59 1HB SER 59 -6.642 -9.271 -11.112 394 HB3 SER 59 2HB SER 59 -7.338 -8.819 -9.555 395 HG SER 59 HG SER 59 -6.990 -6.554 -10.588 396 H MET 60 H MET 60 -3.897 -6.047 -9.753 397 HA MET 60 HA MET 60 -5.244 -5.014 -7.345 398 HB2 MET 60 1HB MET 60 -2.460 -4.311 -8.277 399 HB3 MET 60 2HB MET 60 -3.199 -3.926 -6.728 400 HG2 MET 60 1HG MET 60 -2.926 -6.046 -5.911 401 HG3 MET 60 2HG MET 60 -2.922 -6.780 -7.512 402 HE1 MET 60 3HE MET 60 0.491 -4.013 -6.387 403 HE2 MET 60 1HE MET 60 -1.238 -3.758 -6.146 404 HE3 MET 60 2HE MET 60 -0.309 -4.678 -4.962 405 H LYS 61 H LYS 61 -6.512 -3.326 -7.696 406 HA LYS 61 HA LYS 61 -5.685 -1.290 -9.633 407 HB2 LYS 61 1HB LYS 61 -8.205 -2.888 -9.682 408 HB3 LYS 61 2HB LYS 61 -8.282 -1.195 -10.153 409 HG2 LYS 61 1HG LYS 61 -6.392 -3.190 -11.379 410 HG3 LYS 61 2HG LYS 61 -7.981 -2.795 -12.039 411 HD2 LYS 61 1HD LYS 61 -6.114 -0.557 -11.443 412 HD3 LYS 61 2HD LYS 61 -5.783 -1.562 -12.856 413 HE2 LYS 61 1HE LYS 61 -7.112 0.262 -13.597 414 HE3 LYS 61 2HE LYS 61 -8.155 -1.159 -13.573 415 HZ1 LYS 61 3HZ LYS 61 -8.099 0.472 -11.158 416 HZ2 LYS 61 1HZ LYS 61 -9.393 -0.338 -11.889 417 HZ3 LYS 61 2HZ LYS 61 -8.864 1.145 -12.509 418 H HIS 62 H HIS 62 -6.694 0.785 -9.305 419 HA HIS 62 HA HIS 62 -7.479 1.179 -6.503 420 HB2 HIS 62 1HB HIS 62 -5.560 2.478 -7.009 421 HB3 HIS 62 2HB HIS 62 -6.234 3.014 -8.546 422 HD1 HIS 62 1HD HIS 62 -6.901 5.379 -8.447 423 HD2 HIS 62 2HD HIS 62 -7.462 3.478 -4.795 424 HE1 HIS 62 1HE HIS 62 -7.830 7.138 -6.908 425 H VAL 63 H VAL 63 -9.673 0.558 -6.871 426 HA VAL 63 HA VAL 63 -11.427 1.516 -8.752 427 HB VAL 63 HB VAL 63 -13.138 1.412 -6.747 428 HG11 VAL 63 1HG1 VAL 63 -13.555 -0.355 -8.046 429 HG12 VAL 63 2HG1 VAL 63 -11.846 -0.597 -8.412 430 HG13 VAL 63 3HG1 VAL 63 -12.536 -1.267 -6.933 431 HG21 VAL 63 3HG2 VAL 63 -11.031 -0.342 -5.566 432 HG22 VAL 63 1HG2 VAL 63 -11.044 1.379 -5.180 433 HG23 VAL 63 2HG2 VAL 63 -12.449 0.381 -4.805 434 H GLY 64 H GLY 64 -10.028 3.209 -6.065 435 HA2 GLY 64 1HA GLY 64 -9.958 5.662 -6.343 436 HA3 GLY 64 2HA GLY 64 -11.661 5.570 -6.768 437 H ASN 65 H ASN 65 -11.357 7.316 -4.941 438 HA ASN 65 HA ASN 65 -11.798 7.975 -2.806 439 HB2 ASN 65 1HB ASN 65 -13.820 6.424 -3.518 440 HB3 ASN 65 2HB ASN 65 -13.177 5.383 -2.252 441 HD21 ASN 65 1HD2 ASN 65 -15.642 7.119 -2.573 442 HD22 ASN 65 2HD2 ASN 65 -15.698 8.033 -1.108 443 H GLN 66 H GLN 66 -9.329 6.569 -3.232 444 HA GLN 66 HA GLN 66 -7.573 5.784 -2.016 445 HB2 GLN 66 1HB GLN 66 -9.363 6.196 0.384 446 HB3 GLN 66 2HB GLN 66 -7.613 6.019 0.401 447 HG2 GLN 66 1HG GLN 66 -7.761 8.275 0.554 448 HG3 GLN 66 2HG GLN 66 -7.736 8.109 -1.201 449 HE21 GLN 66 1HE2 GLN 66 -8.886 9.899 -1.713 450 HE22 GLN 66 2HE2 GLN 66 -10.543 10.139 -1.287 451 H GLN 67 H GLN 67 -9.752 4.025 -2.994 452 HA GLN 67 HA GLN 67 -9.430 1.776 -1.122 453 HB2 GLN 67 1HB GLN 67 -11.493 2.016 -3.311 454 HB3 GLN 67 2HB GLN 67 -11.446 0.833 -2.011 455 HG2 GLN 67 1HG GLN 67 -12.046 2.427 -0.394 456 HG3 GLN 67 2HG GLN 67 -11.715 3.773 -1.484 457 HE21 GLN 67 1HE2 GLN 67 -14.124 2.235 -0.027 458 HE22 GLN 67 2HE2 GLN 67 -15.391 2.442 -1.182 459 H TYR 68 H TYR 68 -8.264 0.072 -1.734 460 HA TYR 68 HA TYR 68 -7.485 -0.119 -4.568 461 HB2 TYR 68 1HB TYR 68 -5.992 -0.876 -2.057 462 HB3 TYR 68 2HB TYR 68 -5.485 -1.392 -3.661 463 HD1 TYR 68 2HD TYR 68 -4.663 0.254 -5.294 464 HD2 TYR 68 1HD TYR 68 -5.674 1.390 -1.320 465 HE1 TYR 68 2HE TYR 68 -3.436 2.365 -5.591 466 HE2 TYR 68 1HE TYR 68 -4.450 3.504 -1.606 467 HH TYR 68 HH TYR 68 -3.296 4.556 -4.681 468 H ASN 69 H ASN 69 -8.430 -1.729 -5.612 469 HA ASN 69 HA ASN 69 -9.546 -3.978 -4.151 470 HB2 ASN 69 1HB ASN 69 -10.607 -2.654 -6.161 471 HB3 ASN 69 2HB ASN 69 -9.634 -3.752 -7.136 472 HD21 ASN 69 1HD2 ASN 69 -9.868 -5.895 -5.141 473 HD22 ASN 69 2HD2 ASN 69 -11.464 -6.531 -5.327 474 H VAL 70 H VAL 70 -8.429 -5.769 -3.802 475 HA VAL 70 HA VAL 70 -6.432 -6.606 -5.799 476 HB VAL 70 HB VAL 70 -6.132 -6.846 -2.802 477 HG11 VAL 70 1HG1 VAL 70 -5.095 -8.723 -3.821 478 HG12 VAL 70 2HG1 VAL 70 -4.385 -7.725 -5.092 479 HG13 VAL 70 3HG1 VAL 70 -3.809 -7.582 -3.430 480 HG21 VAL 70 3HG2 VAL 70 -5.533 -4.679 -3.039 481 HG22 VAL 70 1HG2 VAL 70 -4.018 -5.386 -3.603 482 HG23 VAL 70 2HG2 VAL 70 -5.225 -4.840 -4.768 483 H THR 71 H THR 71 -6.941 -8.505 -6.643 484 HA THR 71 HA THR 71 -8.249 -10.513 -4.932 485 HB THR 71 HB THR 71 -8.901 -10.420 -7.848 486 HG1 THR 71 1HG THR 71 -10.792 -9.107 -7.107 487 HG21 THR 71 3HG2 THR 71 -10.355 -11.307 -5.357 488 HG22 THR 71 1HG2 THR 71 -9.668 -12.334 -6.615 489 HG23 THR 71 2HG2 THR 71 -11.064 -11.316 -6.972 490 H TYR 72 H TYR 72 -7.756 -12.681 -5.379 491 HA TYR 72 HA TYR 72 -5.764 -13.248 -7.431 492 HB2 TYR 72 1HB TYR 72 -4.321 -14.441 -5.775 493 HB3 TYR 72 2HB TYR 72 -4.362 -12.696 -5.551 494 HD1 TYR 72 1HD TYR 72 -6.119 -15.768 -4.346 495 HD2 TYR 72 2HD TYR 72 -4.664 -11.881 -3.411 496 HE1 TYR 72 1HE TYR 72 -6.777 -16.093 -1.998 497 HE2 TYR 72 2HE TYR 72 -5.317 -12.196 -1.060 498 HH TYR 72 HH TYR 72 -7.387 -14.564 -0.030 499 H VAL 73 H VAL 73 -5.206 -15.706 -7.307 500 HA VAL 73 HA VAL 73 -7.547 -17.273 -6.498 501 HB VAL 73 HB VAL 73 -6.344 -17.271 -9.266 502 HG11 VAL 73 1HG1 VAL 73 -8.537 -18.996 -9.215 503 HG12 VAL 73 2HG1 VAL 73 -6.837 -19.437 -9.388 504 HG13 VAL 73 3HG1 VAL 73 -7.584 -19.415 -7.791 505 HG21 VAL 73 3HG2 VAL 73 -8.952 -17.046 -9.688 506 HG22 VAL 73 1HG2 VAL 73 -8.899 -16.341 -8.072 507 HG23 VAL 73 2HG2 VAL 73 -7.936 -15.639 -9.371 508 H VAL 74 H VAL 74 -7.095 -19.313 -5.811 509 HA VAL 74 HA VAL 74 -4.325 -20.267 -6.100 510 HB VAL 74 HB VAL 74 -4.487 -21.195 -3.785 511 HG11 VAL 74 1HG1 VAL 74 -4.284 -18.882 -2.671 512 HG12 VAL 74 2HG1 VAL 74 -3.149 -19.297 -3.957 513 HG13 VAL 74 3HG1 VAL 74 -4.522 -18.243 -4.297 514 HG21 VAL 74 3HG2 VAL 74 -6.380 -19.425 -2.675 515 HG22 VAL 74 1HG2 VAL 74 -7.166 -20.231 -4.033 516 HG23 VAL 74 2HG2 VAL 74 -6.446 -21.186 -2.736 517 H LYS 75 H LYS 75 -4.058 -22.442 -6.400 518 HA LYS 75 HA LYS 75 -6.522 -23.979 -6.843 519 HB2 LYS 75 1HB LYS 75 -3.820 -23.985 -8.095 520 HB3 LYS 75 2HB LYS 75 -4.685 -25.515 -8.018 521 HG2 LYS 75 1HG LYS 75 -5.145 -24.514 -10.125 522 HG3 LYS 75 2HG LYS 75 -6.609 -24.404 -9.146 523 HD2 LYS 75 1HD LYS 75 -6.395 -22.294 -10.159 524 HD3 LYS 75 2HD LYS 75 -5.808 -22.067 -8.510 525 HE2 LYS 75 1HE LYS 75 -4.277 -20.962 -9.949 526 HE3 LYS 75 2HE LYS 75 -3.487 -22.437 -9.396 527 HZ1 LYS 75 3HZ LYS 75 -4.520 -23.377 -11.591 528 HZ2 LYS 75 1HZ LYS 75 -3.054 -22.534 -11.617 529 HZ3 LYS 75 2HZ LYS 75 -4.486 -21.753 -12.063 530 H GLU 76 H GLU 76 -4.090 -23.607 -4.611 531 HA GLU 76 HA GLU 76 -4.318 -26.402 -3.709 532 HB2 GLU 76 1HB GLU 76 -2.015 -25.660 -4.262 533 HB3 GLU 76 2HB GLU 76 -2.152 -24.401 -3.042 534 HG2 GLU 76 1HG GLU 76 -0.896 -26.310 -2.216 535 HG3 GLU 76 2HG GLU 76 -2.387 -26.079 -1.305 536 H ARG 77 H ARG 77 -4.241 -26.690 -1.323 537 HA ARG 77 HA ARG 77 -5.633 -24.485 0.051 538 HB2 ARG 77 1HB ARG 77 -6.947 -26.106 1.267 539 HB3 ARG 77 2HB ARG 77 -7.114 -26.412 -0.457 540 HG2 ARG 77 1HG ARG 77 -5.136 -28.091 -0.006 541 HG3 ARG 77 2HG ARG 77 -5.772 -28.031 1.639 542 HD2 ARG 77 1HD ARG 77 -8.042 -28.520 0.637 543 HD3 ARG 77 2HD ARG 77 -7.202 -28.860 -0.876 544 HE ARG 77 HE ARG 77 -6.125 -30.336 1.318 545 HH11 ARG 77 1HH1 ARG 77 -8.707 -30.245 -1.015 546 HH12 ARG 77 2HH1 ARG 77 -8.970 -31.957 -0.985 547 HH21 ARG 77 1HH2 ARG 77 -6.462 -32.592 1.367 548 HH22 ARG 77 2HH2 ARG 77 -7.693 -33.291 0.371 549 H GLY 78 H GLY 78 -5.584 -24.967 2.557 550 HA2 GLY 78 1HA GLY 78 -4.212 -25.916 4.345 551 HA3 GLY 78 2HA GLY 78 -2.833 -25.775 3.266 552 H ASP 79 H ASP 79 -1.775 -24.620 4.982 553 HA ASP 79 HA ASP 79 -2.828 -22.067 5.810 554 HB2 ASP 79 1HB ASP 79 -0.789 -21.866 7.121 555 HB3 ASP 79 2HB ASP 79 -1.476 -23.474 7.334 556 H TYR 80 H TYR 80 -2.604 -20.223 4.744 557 HA TYR 80 HA TYR 80 -0.492 -20.032 2.702 558 HB2 TYR 80 1HB TYR 80 -3.293 -19.024 2.833 559 HB3 TYR 80 2HB TYR 80 -2.109 -18.045 1.975 560 HD1 TYR 80 1HD TYR 80 -3.300 -21.581 2.173 561 HD2 TYR 80 2HD TYR 80 -1.757 -18.460 -0.273 562 HE1 TYR 80 1HE TYR 80 -3.566 -23.012 0.190 563 HE2 TYR 80 2HE TYR 80 -2.019 -19.882 -2.262 564 HH TYR 80 HH TYR 80 -2.327 -22.060 -2.941 565 H VAL 81 H VAL 81 0.405 -17.856 2.339 566 HA VAL 81 HA VAL 81 0.463 -16.241 4.803 567 HB VAL 81 HB VAL 81 2.832 -16.835 3.024 568 HG11 VAL 81 1HG1 VAL 81 3.665 -15.779 5.473 569 HG12 VAL 81 2HG1 VAL 81 3.703 -14.985 3.898 570 HG13 VAL 81 3HG1 VAL 81 2.313 -14.769 4.963 571 HG21 VAL 81 3HG2 VAL 81 3.622 -17.867 5.293 572 HG22 VAL 81 1HG2 VAL 81 1.891 -17.993 5.609 573 HG23 VAL 81 2HG2 VAL 81 2.593 -18.799 4.205 574 H LEU 82 H LEU 82 -0.604 -14.436 4.272 575 HA LEU 82 HA LEU 82 -0.235 -13.257 1.624 576 HB2 LEU 82 1HB LEU 82 -2.506 -13.423 2.273 577 HB3 LEU 82 2HB LEU 82 -2.174 -12.737 3.862 578 HG LEU 82 HG LEU 82 -1.697 -10.562 2.773 579 HD11 LEU 82 1HD1 LEU 82 -1.315 -10.491 0.592 580 HD12 LEU 82 2HD1 LEU 82 -3.006 -10.903 0.311 581 HD13 LEU 82 3HD1 LEU 82 -1.794 -12.179 0.414 582 HD21 LEU 82 3HD2 LEU 82 -4.048 -11.542 3.531 583 HD22 LEU 82 1HD2 LEU 82 -4.403 -11.310 1.819 584 HD23 LEU 82 2HD2 LEU 82 -3.885 -9.942 2.805 585 H ALA 83 H ALA 83 1.298 -11.790 1.349 586 HA ALA 83 HA ALA 83 2.161 -10.185 3.658 587 HB1 ALA 83 3HB ALA 83 3.622 -11.627 1.734 588 HB2 ALA 83 1HB ALA 83 3.915 -9.917 1.414 589 HB3 ALA 83 2HB ALA 83 4.245 -10.584 3.013 590 H VAL 84 H VAL 84 1.432 -8.172 3.730 591 HA VAL 84 HA VAL 84 0.991 -6.738 1.192 592 HB VAL 84 HB VAL 84 -0.643 -6.350 3.701 593 HG11 VAL 84 1HG1 VAL 84 -2.066 -4.986 2.345 594 HG12 VAL 84 2HG1 VAL 84 -0.409 -4.416 2.139 595 HG13 VAL 84 3HG1 VAL 84 -1.165 -5.403 0.888 596 HG21 VAL 84 3HG2 VAL 84 -0.933 -8.600 2.590 597 HG22 VAL 84 1HG2 VAL 84 -2.391 -7.616 2.722 598 HG23 VAL 84 2HG2 VAL 84 -1.541 -7.732 1.181 599 H LYS 85 H LYS 85 2.030 -4.861 0.994 600 HA LYS 85 HA LYS 85 3.158 -3.634 3.425 601 HB2 LYS 85 1HB LYS 85 4.324 -3.969 0.672 602 HB3 LYS 85 2HB LYS 85 4.911 -2.720 1.763 603 HG2 LYS 85 1HG LYS 85 5.393 -4.494 3.436 604 HG3 LYS 85 2HG LYS 85 4.951 -5.695 2.220 605 HD2 LYS 85 1HD LYS 85 7.278 -5.558 2.058 606 HD3 LYS 85 2HD LYS 85 6.701 -4.541 0.735 607 HE2 LYS 85 1HE LYS 85 7.108 -2.552 2.005 608 HE3 LYS 85 2HE LYS 85 7.465 -3.489 3.454 609 HZ1 LYS 85 3HZ LYS 85 9.295 -4.506 1.922 610 HZ2 LYS 85 1HZ LYS 85 9.556 -3.028 2.703 611 HZ3 LYS 85 2HZ LYS 85 9.116 -3.055 1.070 612 H TRP 86 H TRP 86 3.349 -1.330 3.438 613 HA TRP 86 HA TRP 86 1.643 0.051 1.480 614 HB2 TRP 86 1HB TRP 86 0.259 -0.151 3.410 615 HB3 TRP 86 2HB TRP 86 1.580 0.295 4.487 616 HD1 TRP 86 HD TRP 86 1.352 2.674 5.371 617 HE1 TRP 86 1HE TRP 86 0.337 4.880 4.520 618 HE3 TRP 86 3HE TRP 86 -0.285 1.101 0.790 619 HZ2 TRP 86 2HZ TRP 86 -0.984 5.829 2.212 620 HZ3 TRP 86 3HZ TRP 86 -1.415 2.719 -0.678 621 HH2 TRP 86 HH TRP 86 -1.757 5.034 0.020 622 H GLY 87 H GLY 87 3.468 0.833 0.394 623 HA2 GLY 87 1HA GLY 87 5.199 2.279 -0.037 624 HA3 GLY 87 2HA GLY 87 4.426 3.324 1.146 625 H GLU 88 H GLU 88 6.635 0.561 0.858 626 HA GLU 88 HA GLU 88 8.441 -0.077 2.085 627 HB2 GLU 88 1HB GLU 88 8.442 2.884 2.664 628 HB3 GLU 88 2HB GLU 88 9.706 1.801 3.230 629 HG2 GLU 88 1HG GLU 88 10.109 1.155 0.853 630 HG3 GLU 88 2HG GLU 88 8.980 2.423 0.380 631 H GLU 89 H GLU 89 6.086 -0.694 3.279 632 HA GLU 89 HA GLU 89 6.845 -0.849 6.035 633 HB2 GLU 89 1HB GLU 89 4.530 0.887 5.209 634 HB3 GLU 89 2HB GLU 89 4.594 0.135 6.797 635 HG2 GLU 89 1HG GLU 89 6.985 1.252 6.838 636 HG3 GLU 89 2HG GLU 89 6.232 2.334 5.668 637 H HIS 90 H HIS 90 4.777 -1.803 7.292 638 HA HIS 90 HA HIS 90 3.472 -3.771 5.543 639 HB2 HIS 90 1HB HIS 90 5.126 -4.287 7.992 640 HB3 HIS 90 2HB HIS 90 3.815 -5.384 7.568 641 HD1 HIS 90 1HD HIS 90 4.354 -7.160 5.911 642 HD2 HIS 90 2HD HIS 90 7.136 -4.074 5.863 643 HE1 HIS 90 1HE HIS 90 6.175 -7.920 4.351 644 H ILE 91 H ILE 91 1.358 -3.481 5.725 645 HA ILE 91 HA ILE 91 0.026 -1.969 7.600 646 HB ILE 91 HB ILE 91 -2.031 -3.035 6.893 647 HG12 ILE 91 1HG1 ILE 91 -0.418 -5.036 5.323 648 HG13 ILE 91 2HG1 ILE 91 -0.963 -5.376 6.961 649 HG21 ILE 91 1HG2 ILE 91 0.039 -2.346 4.876 650 HG22 ILE 91 2HG2 ILE 91 -1.488 -3.016 4.306 651 HG23 ILE 91 3HG2 ILE 91 -1.479 -1.535 5.263 652 HD11 ILE 91 3HD1 ILE 91 -3.125 -4.404 5.323 653 HD12 ILE 91 1HD1 ILE 91 -2.355 -5.820 4.607 654 HD13 ILE 91 2HD1 ILE 91 -2.993 -5.898 6.250 655 HA PRO 92 HA PRO 92 -0.169 -4.291 11.324 656 HB2 PRO 92 1HB PRO 92 -2.550 -3.442 12.314 657 HB3 PRO 92 2HB PRO 92 -1.104 -2.425 12.284 658 HG2 PRO 92 1HG PRO 92 -3.432 -2.463 10.402 659 HG3 PRO 92 2HG PRO 92 -2.575 -1.073 11.094 660 HD2 PRO 92 1HD PRO 92 -2.120 -1.959 8.576 661 HD3 PRO 92 2HD PRO 92 -0.850 -1.219 9.572 662 H GLY 93 H GLY 93 -0.349 -6.437 10.677 663 HA2 GLY 93 1HA GLY 93 -2.230 -8.094 11.437 664 HA3 GLY 93 2HA GLY 93 -3.016 -7.450 10.002 665 H SER 94 H SER 94 0.021 -7.287 9.073 666 HA SER 94 HA SER 94 -0.032 -9.982 7.904 667 HB2 SER 94 1HB SER 94 0.045 -8.562 6.088 668 HB3 SER 94 2HB SER 94 0.966 -7.332 6.954 669 HG SER 94 HG SER 94 2.760 -8.249 6.339 670 HA PRO 95 HA PRO 95 1.528 -11.043 6.523 671 HB2 PRO 95 1HB PRO 95 2.256 -13.605 7.049 672 HB3 PRO 95 2HB PRO 95 3.367 -12.411 6.366 673 HG2 PRO 95 1HG PRO 95 3.086 -13.334 9.200 674 HG3 PRO 95 2HG PRO 95 4.561 -13.038 8.260 675 HD2 PRO 95 1HD PRO 95 3.596 -11.256 10.055 676 HD3 PRO 95 2HD PRO 95 4.465 -10.759 8.589 677 H PHE 96 H PHE 96 -0.520 -11.680 6.267 678 HA PHE 96 HA PHE 96 -2.104 -12.395 8.559 679 HB2 PHE 96 1HB PHE 96 -2.696 -11.928 5.650 680 HB3 PHE 96 2HB PHE 96 -3.916 -12.621 6.714 681 HD1 PHE 96 2HD PHE 96 -1.593 -9.718 6.488 682 HD2 PHE 96 1HD PHE 96 -5.330 -11.218 7.868 683 HE1 PHE 96 2HE PHE 96 -2.221 -7.459 7.232 684 HE2 PHE 96 1HE PHE 96 -5.964 -8.960 8.614 685 HZ PHE 96 HZ PHE 96 -4.408 -7.078 8.298 686 H HIS 97 H HIS 97 -3.092 -14.336 8.998 687 HA HIS 97 HA HIS 97 -1.915 -16.661 7.673 688 HB2 HIS 97 1HB HIS 97 -1.731 -16.673 10.074 689 HB3 HIS 97 2HB HIS 97 -3.456 -16.371 10.257 690 HD1 HIS 97 1HD HIS 97 -4.113 -18.477 11.461 691 HD2 HIS 97 2HD HIS 97 -1.976 -19.223 7.978 692 HE1 HIS 97 1HE HIS 97 -4.250 -20.963 11.108 693 H VAL 98 H VAL 98 -3.058 -17.010 5.827 694 HA VAL 98 HA VAL 98 -5.982 -17.119 5.981 695 HB VAL 98 HB VAL 98 -4.159 -17.225 3.573 696 HG11 VAL 98 1HG1 VAL 98 -6.487 -18.402 3.544 697 HG12 VAL 98 2HG1 VAL 98 -7.104 -16.752 3.433 698 HG13 VAL 98 3HG1 VAL 98 -6.004 -17.369 2.200 699 HG21 VAL 98 3HG2 VAL 98 -4.101 -15.036 4.518 700 HG22 VAL 98 1HG2 VAL 98 -5.170 -14.975 3.116 701 HG23 VAL 98 2HG2 VAL 98 -5.850 -15.022 4.743 702 H THR 99 H THR 99 -6.831 -19.022 6.488 703 HA THR 99 HA THR 99 -5.404 -21.480 5.786 704 HB THR 99 HB THR 99 -7.804 -21.097 7.586 705 HG1 THR 99 1HG THR 99 -6.389 -20.801 9.138 706 HG21 THR 99 3HG2 THR 99 -7.029 -23.428 8.363 707 HG22 THR 99 1HG2 THR 99 -6.174 -23.501 6.823 708 HG23 THR 99 2HG2 THR 99 -7.928 -23.314 6.850 709 H VAL 100 H VAL 100 -6.018 -22.697 4.127 710 HA VAL 100 HA VAL 100 -8.680 -22.230 2.958 711 HB VAL 100 HB VAL 100 -6.175 -23.293 1.645 712 HG11 VAL 100 1HG1 VAL 100 -9.010 -23.193 0.781 713 HG12 VAL 100 2HG1 VAL 100 -7.775 -22.807 -0.419 714 HG13 VAL 100 3HG1 VAL 100 -7.751 -24.368 0.403 715 HG21 VAL 100 3HG2 VAL 100 -6.866 -21.093 0.247 716 HG22 VAL 100 1HG2 VAL 100 -7.412 -20.627 1.858 717 HG23 VAL 100 2HG2 VAL 100 -5.728 -21.080 1.594 718 HA PRO 101 HA PRO 101 -9.645 -26.342 4.358 719 HB2 PRO 101 1HB PRO 101 -12.108 -26.460 3.223 720 HB3 PRO 101 2HB PRO 101 -11.775 -25.553 4.703 721 HG2 PRO 101 1HG PRO 101 -12.006 -24.565 1.887 722 HG3 PRO 101 2HG PRO 101 -12.656 -23.857 3.377 723 HD2 PRO 101 1HD PRO 101 -10.398 -22.943 2.194 724 HD3 PRO 101 2HD PRO 101 -10.638 -22.904 3.953 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.948 23.939 -9.390 2 HA2 GLY 1 1HA GLY 1 -2.091 22.622 -9.679 3 HA3 GLY 1 2HA GLY 1 -2.289 22.178 -7.990 4 H SER 2 H SER 2 -1.712 20.039 -8.265 5 HA SER 2 HA SER 2 -3.694 18.404 -9.698 6 HB2 SER 2 1HB SER 2 -1.601 18.498 -11.007 7 HB3 SER 2 2HB SER 2 -0.711 17.889 -9.612 8 HG SER 2 HG SER 2 -2.080 16.008 -9.731 9 H SER 3 H SER 3 -4.010 16.274 -8.855 10 HA SER 3 HA SER 3 -4.382 16.075 -6.160 11 HB2 SER 3 1HB SER 3 -3.995 14.012 -8.298 12 HB3 SER 3 2HB SER 3 -4.111 13.496 -6.615 13 HG SER 3 HG SER 3 -6.014 15.224 -7.791 14 H GLY 4 H GLY 4 -3.233 15.455 -4.388 15 HA2 GLY 4 1HA GLY 4 -1.038 13.977 -4.027 16 HA3 GLY 4 2HA GLY 4 -0.338 15.453 -4.676 17 H SER 5 H SER 5 -1.538 13.880 -1.908 18 HA SER 5 HA SER 5 -1.843 16.320 -0.360 19 HB2 SER 5 1HB SER 5 -2.198 13.393 0.270 20 HB3 SER 5 2HB SER 5 -2.232 14.624 1.532 21 HG SER 5 HG SER 5 -4.009 14.227 -0.615 22 H SER 6 H SER 6 -0.737 16.397 1.821 23 HA SER 6 HA SER 6 2.044 15.452 1.587 24 HB2 SER 6 1HB SER 6 2.705 17.563 2.777 25 HB3 SER 6 2HB SER 6 2.048 17.824 1.161 26 HG SER 6 HG SER 6 -0.037 18.089 2.391 27 H GLY 7 H GLY 7 2.799 14.326 3.265 28 HA2 GLY 7 1HA GLY 7 2.598 14.682 5.919 29 HA3 GLY 7 2HA GLY 7 1.064 13.907 5.553 30 H SER 8 H SER 8 3.146 12.877 7.235 31 HA SER 8 HA SER 8 4.608 10.872 5.816 32 HB2 SER 8 1HB SER 8 5.106 11.971 8.138 33 HB3 SER 8 2HB SER 8 4.044 10.708 8.760 34 HG SER 8 HG SER 8 6.422 10.355 7.252 35 H SER 9 H SER 9 3.638 9.209 4.871 36 HA SER 9 HA SER 9 1.056 8.275 5.516 37 HB2 SER 9 1HB SER 9 3.186 6.726 4.031 38 HB3 SER 9 2HB SER 9 1.437 6.551 3.891 39 HG SER 9 HG SER 9 1.532 8.011 2.399 40 H ASP 10 H ASP 10 0.365 6.870 6.992 41 HA ASP 10 HA ASP 10 2.381 5.322 8.479 42 HB2 ASP 10 1HB ASP 10 0.801 7.138 9.581 43 HB3 ASP 10 2HB ASP 10 -0.353 5.807 9.580 44 H ALA 11 H ALA 11 2.342 3.187 8.278 45 HA ALA 11 HA ALA 11 0.333 1.889 6.707 46 HB1 ALA 11 3HB ALA 11 1.626 -0.166 7.190 47 HB2 ALA 11 1HB ALA 11 2.618 1.146 6.551 48 HB3 ALA 11 2HB ALA 11 2.653 0.771 8.275 49 H SER 12 H SER 12 1.163 1.982 10.140 50 HA SER 12 HA SER 12 -0.476 -0.034 11.095 51 HB2 SER 12 1HB SER 12 1.212 1.535 12.333 52 HB3 SER 12 2HB SER 12 -0.209 2.540 12.617 53 HG SER 12 HG SER 12 -0.476 -0.170 13.161 54 H LYS 13 H LYS 13 -1.319 3.072 9.841 55 HA LYS 13 HA LYS 13 -3.971 3.102 10.979 56 HB2 LYS 13 1HB LYS 13 -2.717 4.815 8.825 57 HB3 LYS 13 2HB LYS 13 -4.297 5.097 9.546 58 HG2 LYS 13 1HG LYS 13 -1.657 5.157 10.994 59 HG3 LYS 13 2HG LYS 13 -2.614 6.559 10.511 60 HD2 LYS 13 1HD LYS 13 -4.495 5.528 11.904 61 HD3 LYS 13 2HD LYS 13 -3.249 4.478 12.584 62 HE2 LYS 13 1HE LYS 13 -2.047 6.341 13.454 63 HE3 LYS 13 2HE LYS 13 -3.053 7.483 12.564 64 HZ1 LYS 13 3HZ LYS 13 -4.422 5.700 14.416 65 HZ2 LYS 13 1HZ LYS 13 -4.717 7.327 14.062 66 HZ3 LYS 13 2HZ LYS 13 -3.456 6.905 15.106 67 H VAL 14 H VAL 14 -2.453 2.123 7.986 68 HA VAL 14 HA VAL 14 -4.735 1.938 6.362 69 HB VAL 14 HB VAL 14 -2.094 0.504 6.312 70 HG11 VAL 14 1HG1 VAL 14 -2.795 -0.332 4.047 71 HG12 VAL 14 2HG1 VAL 14 -3.590 -1.113 5.416 72 HG13 VAL 14 3HG1 VAL 14 -4.447 0.109 4.476 73 HG21 VAL 14 3HG2 VAL 14 -2.387 1.847 3.961 74 HG22 VAL 14 1HG2 VAL 14 -3.272 2.886 5.077 75 HG23 VAL 14 2HG2 VAL 14 -1.583 2.489 5.393 76 H THR 15 H THR 15 -6.387 0.559 6.316 77 HA THR 15 HA THR 15 -6.211 -1.872 7.974 78 HB THR 15 HB THR 15 -8.694 -1.754 8.133 79 HG1 THR 15 1HG THR 15 -9.755 0.039 7.372 80 HG21 THR 15 3HG2 THR 15 -7.435 -0.903 9.981 81 HG22 THR 15 1HG2 THR 15 -8.749 0.231 9.668 82 HG23 THR 15 2HG2 THR 15 -7.111 0.610 9.135 83 H SER 16 H SER 16 -7.809 -3.605 7.241 84 HA SER 16 HA SER 16 -8.336 -3.683 4.395 85 HB2 SER 16 1HB SER 16 -7.021 -5.679 3.953 86 HB3 SER 16 2HB SER 16 -5.962 -4.414 4.578 87 HG SER 16 HG SER 16 -7.000 -5.923 6.576 88 H LYS 17 H LYS 17 -10.136 -4.805 3.995 89 HA LYS 17 HA LYS 17 -11.042 -6.763 5.999 90 HB2 LYS 17 1HB LYS 17 -13.332 -5.983 5.727 91 HB3 LYS 17 2HB LYS 17 -12.299 -4.661 6.254 92 HG2 LYS 17 1HG LYS 17 -12.771 -5.016 3.340 93 HG3 LYS 17 2HG LYS 17 -14.063 -4.341 4.336 94 HD2 LYS 17 1HD LYS 17 -12.151 -2.798 5.239 95 HD3 LYS 17 2HD LYS 17 -11.356 -3.236 3.725 96 HE2 LYS 17 1HE LYS 17 -13.482 -2.527 2.556 97 HE3 LYS 17 2HE LYS 17 -14.004 -1.853 4.099 98 HZ1 LYS 17 3HZ LYS 17 -12.902 -0.028 3.544 99 HZ2 LYS 17 1HZ LYS 17 -12.215 -0.764 2.185 100 HZ3 LYS 17 2HZ LYS 17 -11.456 -0.894 3.690 101 H GLY 18 H GLY 18 -12.493 -8.405 5.186 102 HA2 GLY 18 1HA GLY 18 -13.604 -9.104 2.978 103 HA3 GLY 18 2HA GLY 18 -11.971 -8.973 2.342 104 H ALA 19 H ALA 19 -13.401 -11.330 2.156 105 HA ALA 19 HA ALA 19 -12.792 -13.124 4.290 106 HB1 ALA 19 3HB ALA 19 -14.621 -13.314 2.476 107 HB2 ALA 19 1HB ALA 19 -13.342 -14.019 1.487 108 HB3 ALA 19 2HB ALA 19 -13.799 -14.779 3.012 109 H GLY 20 H GLY 20 -11.380 -12.564 1.071 110 HA2 GLY 20 1HA GLY 20 -9.484 -14.503 0.913 111 HA3 GLY 20 2HA GLY 20 -9.203 -12.859 0.359 112 H LEU 21 H LEU 21 -9.401 -11.703 3.027 113 HA LEU 21 HA LEU 21 -6.672 -12.029 3.801 114 HB2 LEU 21 1HB LEU 21 -8.904 -10.581 5.219 115 HB3 LEU 21 2HB LEU 21 -7.180 -10.406 5.544 116 HG LEU 21 HG LEU 21 -8.215 -9.780 2.815 117 HD11 LEU 21 1HD1 LEU 21 -8.114 -7.416 4.421 118 HD12 LEU 21 2HD1 LEU 21 -9.256 -8.560 5.124 119 HD13 LEU 21 3HD1 LEU 21 -9.442 -8.048 3.447 120 HD21 LEU 21 3HD2 LEU 21 -5.781 -9.829 3.391 121 HD22 LEU 21 1HD2 LEU 21 -6.074 -8.483 4.492 122 HD23 LEU 21 2HD2 LEU 21 -6.356 -8.284 2.762 123 H SER 22 H SER 22 -9.777 -13.061 5.120 124 HA SER 22 HA SER 22 -8.630 -14.187 7.498 125 HB2 SER 22 1HB SER 22 -11.043 -13.329 7.161 126 HB3 SER 22 2HB SER 22 -11.345 -14.892 6.401 127 HG SER 22 HG SER 22 -10.150 -14.709 8.951 128 H LYS 23 H LYS 23 -10.163 -15.601 4.606 129 HA LYS 23 HA LYS 23 -8.274 -17.786 4.621 130 HB2 LYS 23 1HB LYS 23 -9.849 -19.566 4.882 131 HB3 LYS 23 2HB LYS 23 -10.062 -18.474 6.244 132 HG2 LYS 23 1HG LYS 23 -12.004 -17.477 5.129 133 HG3 LYS 23 2HG LYS 23 -11.799 -18.606 3.787 134 HD2 LYS 23 1HD LYS 23 -12.223 -19.463 6.646 135 HD3 LYS 23 2HD LYS 23 -13.532 -19.268 5.478 136 HE2 LYS 23 1HE LYS 23 -12.484 -20.937 4.029 137 HE3 LYS 23 2HE LYS 23 -11.170 -21.124 5.189 138 HZ1 LYS 23 3HZ LYS 23 -13.663 -22.411 5.157 139 HZ2 LYS 23 1HZ LYS 23 -13.573 -21.472 6.562 140 HZ3 LYS 23 2HZ LYS 23 -12.382 -22.629 6.239 141 H ALA 24 H ALA 24 -8.435 -19.127 2.709 142 HA ALA 24 HA ALA 24 -9.941 -17.836 0.527 143 HB1 ALA 24 3HB ALA 24 -7.091 -18.625 0.698 144 HB2 ALA 24 1HB ALA 24 -7.912 -18.891 -0.840 145 HB3 ALA 24 2HB ALA 24 -7.847 -17.272 -0.143 146 H PHE 25 H PHE 25 -10.444 -19.255 -1.299 147 HA PHE 25 HA PHE 25 -10.697 -22.078 -0.495 148 HB2 PHE 25 1HB PHE 25 -12.734 -20.289 -1.818 149 HB3 PHE 25 2HB PHE 25 -12.859 -22.045 -1.845 150 HD1 PHE 25 2HD PHE 25 -12.344 -19.273 0.599 151 HD2 PHE 25 1HD PHE 25 -14.114 -23.058 -0.216 152 HE1 PHE 25 2HE PHE 25 -13.454 -19.223 2.794 153 HE2 PHE 25 1HE PHE 25 -15.227 -23.013 1.978 154 HZ PHE 25 HZ PHE 25 -14.897 -21.095 3.487 155 H VAL 26 H VAL 26 -10.080 -23.565 -1.953 156 HA VAL 26 HA VAL 26 -8.466 -22.956 -4.108 157 HB VAL 26 HB VAL 26 -10.142 -25.447 -3.766 158 HG11 VAL 26 1HG1 VAL 26 -8.897 -26.480 -5.390 159 HG12 VAL 26 2HG1 VAL 26 -8.966 -24.839 -6.037 160 HG13 VAL 26 3HG1 VAL 26 -7.524 -25.393 -5.185 161 HG21 VAL 26 3HG2 VAL 26 -7.753 -26.238 -2.972 162 HG22 VAL 26 1HG2 VAL 26 -7.574 -24.528 -2.579 163 HG23 VAL 26 2HG2 VAL 26 -8.880 -25.468 -1.856 164 H GLY 27 H GLY 27 -8.760 -22.493 -6.218 165 HA2 GLY 27 1HA GLY 27 -9.831 -22.188 -8.244 166 HA3 GLY 27 2HA GLY 27 -11.210 -23.067 -7.600 167 H GLN 28 H GLN 28 -11.956 -21.556 -5.460 168 HA GLN 28 HA GLN 28 -13.550 -19.590 -6.547 169 HB2 GLN 28 1HB GLN 28 -12.471 -19.728 -3.727 170 HB3 GLN 28 2HB GLN 28 -13.839 -18.750 -4.241 171 HG2 GLN 28 1HG GLN 28 -13.920 -21.664 -4.792 172 HG3 GLN 28 2HG GLN 28 -14.155 -21.119 -3.132 173 HE21 GLN 28 1HE2 GLN 28 -16.219 -21.041 -2.650 174 HE22 GLN 28 2HE2 GLN 28 -17.492 -20.497 -3.683 175 H LYS 29 H LYS 29 -13.499 -17.216 -5.986 176 HA LYS 29 HA LYS 29 -10.785 -16.173 -6.455 177 HB2 LYS 29 1HB LYS 29 -12.799 -15.880 -8.148 178 HB3 LYS 29 2HB LYS 29 -13.222 -14.560 -7.066 179 HG2 LYS 29 1HG LYS 29 -11.157 -13.454 -7.476 180 HG3 LYS 29 2HG LYS 29 -10.516 -14.851 -8.344 181 HD2 LYS 29 1HD LYS 29 -12.667 -14.435 -9.839 182 HD3 LYS 29 2HD LYS 29 -12.471 -12.792 -9.224 183 HE2 LYS 29 1HE LYS 29 -10.178 -14.311 -10.427 184 HE3 LYS 29 2HE LYS 29 -11.310 -13.402 -11.428 185 HZ1 LYS 29 3HZ LYS 29 -9.151 -12.287 -10.549 186 HZ2 LYS 29 1HZ LYS 29 -10.049 -12.075 -9.131 187 HZ3 LYS 29 2HZ LYS 29 -10.597 -11.411 -10.587 188 H SER 30 H SER 30 -10.018 -15.591 -4.505 189 HA SER 30 HA SER 30 -11.731 -14.353 -2.528 190 HB2 SER 30 1HB SER 30 -8.799 -15.081 -2.544 191 HB3 SER 30 2HB SER 30 -9.575 -14.256 -1.192 192 HG SER 30 HG SER 30 -9.431 -16.720 -1.291 193 H SER 31 H SER 31 -12.021 -12.242 -2.273 194 HA SER 31 HA SER 31 -10.037 -10.397 -3.429 195 HB2 SER 31 1HB SER 31 -11.657 -9.103 -4.447 196 HB3 SER 31 2HB SER 31 -12.388 -10.700 -4.605 197 HG SER 31 HG SER 31 -13.559 -8.703 -3.586 198 H PHE 32 H PHE 32 -9.917 -8.304 -2.418 199 HA PHE 32 HA PHE 32 -11.261 -7.884 0.100 200 HB2 PHE 32 1HB PHE 32 -9.199 -7.744 1.438 201 HB3 PHE 32 2HB PHE 32 -9.448 -9.367 0.803 202 HD1 PHE 32 2HD PHE 32 -8.011 -10.254 -0.946 203 HD2 PHE 32 1HD PHE 32 -7.370 -6.378 0.692 204 HE1 PHE 32 2HE PHE 32 -5.758 -10.213 -1.933 205 HE2 PHE 32 1HE PHE 32 -5.116 -6.331 -0.293 206 HZ PHE 32 HZ PHE 32 -4.307 -8.250 -1.607 207 H LEU 33 H LEU 33 -11.139 -5.756 0.825 208 HA LEU 33 HA LEU 33 -9.898 -3.885 -1.080 209 HB2 LEU 33 1HB LEU 33 -12.450 -3.965 -0.726 210 HB3 LEU 33 2HB LEU 33 -12.112 -3.175 0.813 211 HG LEU 33 HG LEU 33 -12.779 -1.536 -0.829 212 HD11 LEU 33 1HD1 LEU 33 -9.885 -0.985 -0.749 213 HD12 LEU 33 2HD1 LEU 33 -10.656 -1.313 0.802 214 HD13 LEU 33 3HD1 LEU 33 -11.248 0.000 -0.216 215 HD21 LEU 33 3HD2 LEU 33 -11.001 -3.078 -2.541 216 HD22 LEU 33 1HD2 LEU 33 -10.728 -1.339 -2.653 217 HD23 LEU 33 2HD2 LEU 33 -12.332 -2.002 -2.965 218 H VAL 34 H VAL 34 -8.566 -2.295 -0.358 219 HA VAL 34 HA VAL 34 -8.003 -2.252 2.537 220 HB VAL 34 HB VAL 34 -6.060 -1.722 0.284 221 HG11 VAL 34 1HG1 VAL 34 -5.949 -0.677 2.776 222 HG12 VAL 34 2HG1 VAL 34 -5.086 -2.197 3.018 223 HG13 VAL 34 3HG1 VAL 34 -4.532 -1.052 1.795 224 HG21 VAL 34 3HG2 VAL 34 -5.895 -3.945 0.179 225 HG22 VAL 34 1HG2 VAL 34 -5.145 -3.866 1.774 226 HG23 VAL 34 2HG2 VAL 34 -6.878 -4.162 1.627 227 H ASP 35 H ASP 35 -8.554 -0.416 3.487 228 HA ASP 35 HA ASP 35 -8.965 1.984 1.891 229 HB2 ASP 35 1HB ASP 35 -10.717 1.400 3.465 230 HB3 ASP 35 2HB ASP 35 -9.560 1.378 4.794 231 H CYS 36 H CYS 36 -7.371 3.385 1.615 232 HA CYS 36 HA CYS 36 -5.298 3.593 3.696 233 HB2 CYS 36 1HB CYS 36 -3.802 4.414 1.938 234 HB3 CYS 36 2HB CYS 36 -4.455 2.835 1.518 235 HG CYS 36 HG CYS 36 -5.783 3.535 -0.620 236 H SER 37 H SER 37 -7.744 4.956 3.978 237 HA SER 37 HA SER 37 -7.344 7.695 3.135 238 HB2 SER 37 1HB SER 37 -9.604 6.427 3.408 239 HB3 SER 37 2HB SER 37 -9.430 6.828 5.117 240 HG SER 37 HG SER 37 -10.528 8.508 4.250 241 H LYS 38 H LYS 38 -7.663 6.039 6.277 242 HA LYS 38 HA LYS 38 -6.952 8.235 7.864 243 HB2 LYS 38 1HB LYS 38 -7.049 5.282 8.261 244 HB3 LYS 38 2HB LYS 38 -6.187 6.245 9.455 245 HG2 LYS 38 1HG LYS 38 -9.033 6.761 8.625 246 HG3 LYS 38 2HG LYS 38 -8.568 5.774 10.013 247 HD2 LYS 38 1HD LYS 38 -7.292 7.771 10.865 248 HD3 LYS 38 2HD LYS 38 -8.055 8.712 9.581 249 HE2 LYS 38 1HE LYS 38 -9.456 9.090 11.387 250 HE3 LYS 38 2HE LYS 38 -10.267 7.772 10.543 251 HZ1 LYS 38 3HZ LYS 38 -9.758 6.289 12.171 252 HZ2 LYS 38 1HZ LYS 38 -9.840 7.690 13.116 253 HZ3 LYS 38 2HZ LYS 38 -8.337 7.083 12.632 254 H ALA 39 H ALA 39 -5.016 5.913 6.124 255 HA ALA 39 HA ALA 39 -2.557 6.286 7.417 256 HB1 ALA 39 3HB ALA 39 -2.064 4.653 5.998 257 HB2 ALA 39 1HB ALA 39 -3.510 4.989 5.046 258 HB3 ALA 39 2HB ALA 39 -2.007 5.845 4.699 259 H GLY 40 H GLY 40 -3.357 7.585 4.191 260 HA2 GLY 40 1HA GLY 40 -3.052 10.252 4.538 261 HA3 GLY 40 2HA GLY 40 -1.391 9.677 4.513 262 H SER 41 H SER 41 -0.532 8.812 2.601 263 HA SER 41 HA SER 41 -2.046 8.506 0.220 264 HB2 SER 41 1HB SER 41 -2.193 10.884 0.137 265 HB3 SER 41 2HB SER 41 -0.497 11.074 0.579 266 HG SER 41 HG SER 41 -1.062 11.320 -1.723 267 H ASN 42 H ASN 42 -0.984 6.721 -0.380 268 HA ASN 42 HA ASN 42 1.758 6.962 -1.245 269 HB2 ASN 42 1HB ASN 42 1.539 6.206 1.318 270 HB3 ASN 42 2HB ASN 42 1.333 4.633 0.553 271 HD21 ASN 42 1HD2 ASN 42 3.520 5.931 2.175 272 HD22 ASN 42 2HD2 ASN 42 4.952 5.659 1.247 273 H MET 43 H MET 43 2.474 4.519 -1.880 274 HA MET 43 HA MET 43 0.358 3.631 -3.696 275 HB2 MET 43 1HB MET 43 2.097 2.563 -4.976 276 HB3 MET 43 2HB MET 43 2.598 4.210 -4.616 277 HG2 MET 43 1HG MET 43 4.106 3.466 -2.933 278 HG3 MET 43 2HG MET 43 3.478 1.822 -3.018 279 HE1 MET 43 3HE MET 43 3.311 1.147 -6.144 280 HE2 MET 43 1HE MET 43 4.902 0.391 -6.254 281 HE3 MET 43 2HE MET 43 3.912 0.156 -4.813 282 H LEU 44 H LEU 44 -0.554 1.650 -3.604 283 HA LEU 44 HA LEU 44 0.251 -0.076 -1.368 284 HB2 LEU 44 1HB LEU 44 -2.074 0.796 -1.417 285 HB3 LEU 44 2HB LEU 44 -2.330 -0.082 -2.924 286 HG LEU 44 HG LEU 44 -1.808 -2.194 -1.629 287 HD11 LEU 44 1HD1 LEU 44 -2.126 -0.294 0.688 288 HD12 LEU 44 2HD1 LEU 44 -0.695 -1.238 0.278 289 HD13 LEU 44 3HD1 LEU 44 -2.164 -2.053 0.814 290 HD21 LEU 44 3HD2 LEU 44 -4.101 -2.015 -0.388 291 HD22 LEU 44 1HD2 LEU 44 -4.037 -1.982 -2.150 292 HD23 LEU 44 2HD2 LEU 44 -4.219 -0.478 -1.247 293 H LEU 45 H LEU 45 1.523 -1.709 -1.932 294 HA LEU 45 HA LEU 45 1.012 -3.060 -4.501 295 HB2 LEU 45 1HB LEU 45 3.297 -3.473 -4.771 296 HB3 LEU 45 2HB LEU 45 3.197 -1.795 -4.242 297 HG LEU 45 HG LEU 45 5.050 -2.798 -3.136 298 HD11 LEU 45 1HD1 LEU 45 3.399 -1.348 -1.828 299 HD12 LEU 45 2HD1 LEU 45 4.559 -2.304 -0.908 300 HD13 LEU 45 3HD1 LEU 45 2.889 -2.850 -1.058 301 HD21 LEU 45 3HD2 LEU 45 5.141 -4.896 -2.309 302 HD22 LEU 45 1HD2 LEU 45 3.787 -5.157 -3.408 303 HD23 LEU 45 2HD2 LEU 45 3.487 -4.845 -1.699 304 H ILE 46 H ILE 46 1.726 -5.376 -4.517 305 HA ILE 46 HA ILE 46 1.317 -6.643 -1.890 306 HB ILE 46 HB ILE 46 0.151 -7.571 -4.517 307 HG12 ILE 46 1HG1 ILE 46 -1.004 -5.625 -3.488 308 HG13 ILE 46 2HG1 ILE 46 -2.009 -7.070 -3.532 309 HG21 ILE 46 1HG2 ILE 46 0.529 -8.882 -1.904 310 HG22 ILE 46 2HG2 ILE 46 -1.057 -9.081 -2.648 311 HG23 ILE 46 3HG2 ILE 46 0.394 -9.581 -3.518 312 HD11 ILE 46 3HD1 ILE 46 -0.976 -7.369 -1.101 313 HD12 ILE 46 1HD1 ILE 46 -0.876 -5.613 -1.229 314 HD13 ILE 46 2HD1 ILE 46 -2.431 -6.424 -1.412 315 H GLY 47 H GLY 47 2.426 -8.562 -1.505 316 HA2 GLY 47 1HA GLY 47 4.369 -9.360 -3.580 317 HA3 GLY 47 2HA GLY 47 4.873 -9.105 -1.915 318 H VAL 48 H VAL 48 2.121 -10.796 -3.426 319 HA VAL 48 HA VAL 48 1.673 -12.766 -1.647 320 HB VAL 48 HB VAL 48 1.142 -14.291 -3.606 321 HG11 VAL 48 1HG1 VAL 48 -0.646 -13.062 -2.730 322 HG12 VAL 48 2HG1 VAL 48 -0.003 -11.530 -3.324 323 HG13 VAL 48 3HG1 VAL 48 -0.677 -12.704 -4.456 324 HG21 VAL 48 3HG2 VAL 48 2.029 -13.841 -5.592 325 HG22 VAL 48 1HG2 VAL 48 1.140 -12.319 -5.633 326 HG23 VAL 48 2HG2 VAL 48 2.766 -12.373 -4.953 327 H HIS 49 H HIS 49 3.197 -13.820 -0.523 328 HA HIS 49 HA HIS 49 5.653 -14.712 -1.723 329 HB2 HIS 49 1HB HIS 49 5.123 -13.975 0.763 330 HB3 HIS 49 2HB HIS 49 4.752 -15.686 0.954 331 HD1 HIS 49 1HD HIS 49 7.604 -13.359 0.197 332 HD2 HIS 49 2HD HIS 49 6.947 -17.377 1.026 333 HE1 HIS 49 1HE HIS 49 9.884 -14.347 0.586 334 H GLY 50 H GLY 50 6.331 -16.849 -2.035 335 HA2 GLY 50 1HA GLY 50 4.114 -18.794 -2.220 336 HA3 GLY 50 2HA GLY 50 5.467 -18.739 -3.340 337 HA PRO 51 HA PRO 51 7.325 -20.423 0.785 338 HB2 PRO 51 1HB PRO 51 5.598 -20.870 2.831 339 HB3 PRO 51 2HB PRO 51 6.429 -19.328 2.596 340 HG2 PRO 51 1HG PRO 51 3.636 -20.108 1.850 341 HG3 PRO 51 2HG PRO 51 4.219 -18.604 2.586 342 HD2 PRO 51 1HD PRO 51 3.652 -18.810 -0.054 343 HD3 PRO 51 2HD PRO 51 4.928 -17.744 0.568 344 H THR 52 H THR 52 4.119 -21.419 -0.215 345 HA THR 52 HA THR 52 4.976 -24.230 0.010 346 HB THR 52 HB THR 52 2.568 -24.827 0.306 347 HG1 THR 52 1HG THR 52 1.119 -23.297 0.174 348 HG21 THR 52 3HG2 THR 52 4.325 -23.559 2.228 349 HG22 THR 52 1HG2 THR 52 3.286 -24.970 2.417 350 HG23 THR 52 2HG2 THR 52 2.629 -23.352 2.666 351 H THR 53 H THR 53 2.540 -22.185 -1.610 352 HA THR 53 HA THR 53 3.292 -23.376 -4.169 353 HB THR 53 HB THR 53 0.777 -23.553 -4.708 354 HG1 THR 53 1HG THR 53 0.137 -22.537 -2.686 355 HG21 THR 53 3HG2 THR 53 0.855 -25.813 -4.312 356 HG22 THR 53 1HG2 THR 53 1.553 -25.618 -2.705 357 HG23 THR 53 2HG2 THR 53 2.563 -25.412 -4.136 358 HA PRO 54 HA PRO 54 2.815 -19.216 -5.537 359 HB2 PRO 54 1HB PRO 54 2.590 -19.672 -8.204 360 HB3 PRO 54 2HB PRO 54 4.119 -19.817 -7.330 361 HG2 PRO 54 1HG PRO 54 2.207 -21.961 -8.171 362 HG3 PRO 54 2HG PRO 54 3.978 -21.945 -8.257 363 HD2 PRO 54 1HD PRO 54 2.627 -23.239 -6.299 364 HD3 PRO 54 2HD PRO 54 4.217 -22.496 -6.031 365 H CYS 55 H CYS 55 1.333 -17.838 -6.830 366 HA CYS 55 HA CYS 55 -1.423 -18.820 -6.580 367 HB2 CYS 55 1HB CYS 55 -0.437 -16.631 -5.450 368 HB3 CYS 55 2HB CYS 55 -0.803 -15.934 -7.024 369 HG CYS 55 HG CYS 55 -3.531 -17.238 -6.633 370 H GLU 56 H GLU 56 -2.967 -18.326 -8.222 371 HA GLU 56 HA GLU 56 -2.060 -18.820 -10.834 372 HB2 GLU 56 1HB GLU 56 -4.438 -19.072 -9.668 373 HB3 GLU 56 2HB GLU 56 -4.702 -17.506 -10.422 374 HG2 GLU 56 1HG GLU 56 -3.761 -18.758 -12.543 375 HG3 GLU 56 2HG GLU 56 -4.332 -20.175 -11.665 376 H GLU 57 H GLU 57 -3.189 -15.831 -9.287 377 HA GLU 57 HA GLU 57 -1.475 -14.184 -10.810 378 HB2 GLU 57 1HB GLU 57 -2.895 -13.167 -12.363 379 HB3 GLU 57 2HB GLU 57 -3.295 -14.873 -12.495 380 HG2 GLU 57 1HG GLU 57 -4.852 -13.018 -10.731 381 HG3 GLU 57 2HG GLU 57 -5.215 -13.202 -12.446 382 H VAL 58 H VAL 58 -2.287 -11.776 -10.619 383 HA VAL 58 HA VAL 58 -3.729 -11.365 -8.104 384 HB VAL 58 HB VAL 58 -1.002 -10.193 -8.667 385 HG11 VAL 58 1HG1 VAL 58 -1.382 -9.457 -6.187 386 HG12 VAL 58 2HG1 VAL 58 -2.048 -8.499 -7.511 387 HG13 VAL 58 3HG1 VAL 58 -3.086 -9.608 -6.614 388 HG21 VAL 58 3HG2 VAL 58 -1.468 -12.673 -7.751 389 HG22 VAL 58 1HG2 VAL 58 -0.089 -11.698 -7.246 390 HG23 VAL 58 2HG2 VAL 58 -1.529 -11.780 -6.232 391 H SER 59 H SER 59 -5.399 -10.194 -8.835 392 HA SER 59 HA SER 59 -4.951 -8.103 -10.822 393 HB2 SER 59 1HB SER 59 -6.878 -9.775 -10.955 394 HB3 SER 59 2HB SER 59 -7.601 -8.892 -9.610 395 HG SER 59 HG SER 59 -7.193 -8.094 -12.260 396 H MET 60 H MET 60 -4.296 -6.210 -10.038 397 HA MET 60 HA MET 60 -5.505 -5.237 -7.535 398 HB2 MET 60 1HB MET 60 -2.855 -4.488 -8.784 399 HB3 MET 60 2HB MET 60 -3.505 -3.814 -7.295 400 HG2 MET 60 1HG MET 60 -3.262 -5.844 -6.143 401 HG3 MET 60 2HG MET 60 -3.020 -6.752 -7.634 402 HE1 MET 60 3HE MET 60 -1.022 -4.287 -4.986 403 HE2 MET 60 1HE MET 60 -0.028 -3.576 -6.258 404 HE3 MET 60 2HE MET 60 -1.785 -3.441 -6.333 405 H LYS 61 H LYS 61 -6.687 -3.428 -7.581 406 HA LYS 61 HA LYS 61 -6.413 -1.584 -9.839 407 HB2 LYS 61 1HB LYS 61 -8.347 -3.388 -10.023 408 HB3 LYS 61 2HB LYS 61 -9.178 -2.272 -8.947 409 HG2 LYS 61 1HG LYS 61 -9.230 -0.582 -10.529 410 HG3 LYS 61 2HG LYS 61 -7.904 -1.279 -11.463 411 HD2 LYS 61 1HD LYS 61 -9.322 -3.070 -12.230 412 HD3 LYS 61 2HD LYS 61 -10.635 -2.531 -11.181 413 HE2 LYS 61 1HE LYS 61 -10.922 -0.530 -12.448 414 HE3 LYS 61 2HE LYS 61 -9.450 -0.834 -13.370 415 HZ1 LYS 61 3HZ LYS 61 -11.171 -1.477 -14.776 416 HZ2 LYS 61 1HZ LYS 61 -12.046 -2.234 -13.542 417 HZ3 LYS 61 2HZ LYS 61 -10.627 -2.942 -14.128 418 H HIS 62 H HIS 62 -7.212 0.535 -9.430 419 HA HIS 62 HA HIS 62 -7.470 1.132 -6.559 420 HB2 HIS 62 1HB HIS 62 -5.495 2.161 -7.405 421 HB3 HIS 62 2HB HIS 62 -6.333 2.751 -8.837 422 HD1 HIS 62 1HD HIS 62 -7.003 5.126 -8.730 423 HD2 HIS 62 2HD HIS 62 -6.596 3.466 -4.943 424 HE1 HIS 62 1HE HIS 62 -7.395 7.018 -7.121 425 H VAL 63 H VAL 63 -9.796 0.500 -7.061 426 HA VAL 63 HA VAL 63 -11.606 1.712 -8.623 427 HB VAL 63 HB VAL 63 -13.179 1.712 -6.564 428 HG11 VAL 63 1HG1 VAL 63 -11.823 -0.861 -7.358 429 HG12 VAL 63 2HG1 VAL 63 -13.457 -0.676 -6.720 430 HG13 VAL 63 3HG1 VAL 63 -13.055 -0.038 -8.314 431 HG21 VAL 63 3HG2 VAL 63 -11.169 -0.058 -5.286 432 HG22 VAL 63 1HG2 VAL 63 -10.960 1.684 -5.106 433 HG23 VAL 63 2HG2 VAL 63 -12.449 0.913 -4.559 434 H GLY 64 H GLY 64 -9.946 3.210 -5.926 435 HA2 GLY 64 1HA GLY 64 -9.588 5.641 -6.169 436 HA3 GLY 64 2HA GLY 64 -11.285 5.754 -6.615 437 H ASN 65 H ASN 65 -11.037 7.425 -4.820 438 HA ASN 65 HA ASN 65 -11.407 8.115 -2.677 439 HB2 ASN 65 1HB ASN 65 -13.120 5.658 -2.932 440 HB3 ASN 65 2HB ASN 65 -13.082 6.574 -1.429 441 HD21 ASN 65 1HD2 ASN 65 -15.322 6.174 -3.153 442 HD22 ASN 65 2HD2 ASN 65 -15.825 7.731 -3.707 443 H GLN 66 H GLN 66 -9.009 6.626 -3.046 444 HA GLN 66 HA GLN 66 -7.318 5.742 -1.809 445 HB2 GLN 66 1HB GLN 66 -9.111 6.132 0.588 446 HB3 GLN 66 2HB GLN 66 -7.358 5.992 0.581 447 HG2 GLN 66 1HG GLN 66 -7.757 8.264 0.868 448 HG3 GLN 66 2HG GLN 66 -7.367 8.105 -0.843 449 HE21 GLN 66 1HE2 GLN 66 -8.523 9.549 -1.903 450 HE22 GLN 66 2HE2 GLN 66 -10.214 9.838 -1.705 451 H GLN 67 H GLN 67 -9.338 4.036 -2.959 452 HA GLN 67 HA GLN 67 -9.176 1.752 -1.104 453 HB2 GLN 67 1HB GLN 67 -11.304 2.289 -3.183 454 HB3 GLN 67 2HB GLN 67 -11.225 0.879 -2.134 455 HG2 GLN 67 1HG GLN 67 -11.579 2.250 -0.188 456 HG3 GLN 67 2HG GLN 67 -11.521 3.714 -1.169 457 HE21 GLN 67 1HE2 GLN 67 -13.151 3.733 -2.996 458 HE22 GLN 67 2HE2 GLN 67 -14.742 3.182 -2.613 459 H TYR 68 H TYR 68 -8.327 -0.119 -1.850 460 HA TYR 68 HA TYR 68 -7.590 -0.229 -4.701 461 HB2 TYR 68 1HB TYR 68 -5.952 -0.977 -2.281 462 HB3 TYR 68 2HB TYR 68 -5.560 -1.548 -3.899 463 HD1 TYR 68 2HD TYR 68 -4.775 0.016 -5.614 464 HD2 TYR 68 1HD TYR 68 -5.578 1.319 -1.644 465 HE1 TYR 68 2HE TYR 68 -3.528 2.091 -6.049 466 HE2 TYR 68 1HE TYR 68 -4.334 3.398 -2.068 467 HH TYR 68 HH TYR 68 -3.778 4.754 -4.459 468 H ASN 69 H ASN 69 -8.631 -1.821 -5.680 469 HA ASN 69 HA ASN 69 -9.679 -4.057 -4.154 470 HB2 ASN 69 1HB ASN 69 -10.804 -2.702 -6.136 471 HB3 ASN 69 2HB ASN 69 -9.952 -3.886 -7.123 472 HD21 ASN 69 1HD2 ASN 69 -10.123 -6.086 -5.415 473 HD22 ASN 69 2HD2 ASN 69 -11.775 -6.584 -5.328 474 H VAL 70 H VAL 70 -8.433 -5.762 -3.786 475 HA VAL 70 HA VAL 70 -6.604 -6.652 -5.921 476 HB VAL 70 HB VAL 70 -6.166 -6.911 -2.943 477 HG11 VAL 70 1HG1 VAL 70 -3.916 -7.714 -3.622 478 HG12 VAL 70 2HG1 VAL 70 -5.225 -8.797 -4.101 479 HG13 VAL 70 3HG1 VAL 70 -4.472 -7.739 -5.295 480 HG21 VAL 70 3HG2 VAL 70 -4.077 -5.473 -4.105 481 HG22 VAL 70 1HG2 VAL 70 -5.548 -4.800 -4.808 482 HG23 VAL 70 2HG2 VAL 70 -5.348 -4.844 -3.056 483 H THR 71 H THR 71 -7.076 -8.583 -6.718 484 HA THR 71 HA THR 71 -8.312 -10.592 -4.966 485 HB THR 71 HB THR 71 -9.203 -10.479 -7.811 486 HG1 THR 71 1HG THR 71 -11.036 -9.157 -6.729 487 HG21 THR 71 3HG2 THR 71 -9.859 -12.358 -6.401 488 HG22 THR 71 1HG2 THR 71 -11.267 -11.386 -6.826 489 HG23 THR 71 2HG2 THR 71 -10.552 -11.248 -5.220 490 H TYR 72 H TYR 72 -7.652 -12.674 -5.293 491 HA TYR 72 HA TYR 72 -5.865 -13.210 -7.560 492 HB2 TYR 72 1HB TYR 72 -4.336 -14.442 -6.050 493 HB3 TYR 72 2HB TYR 72 -4.414 -12.724 -5.674 494 HD1 TYR 72 1HD TYR 72 -5.719 -16.041 -4.623 495 HD2 TYR 72 2HD TYR 72 -4.979 -12.000 -3.517 496 HE1 TYR 72 1HE TYR 72 -6.278 -16.583 -2.290 497 HE2 TYR 72 2HE TYR 72 -5.534 -12.531 -1.181 498 HH TYR 72 HH TYR 72 -7.168 -14.657 -0.117 499 H VAL 73 H VAL 73 -5.312 -15.681 -7.536 500 HA VAL 73 HA VAL 73 -7.650 -17.254 -6.722 501 HB VAL 73 HB VAL 73 -6.486 -17.213 -9.509 502 HG11 VAL 73 1HG1 VAL 73 -8.811 -18.851 -9.281 503 HG12 VAL 73 2HG1 VAL 73 -7.186 -19.299 -9.806 504 HG13 VAL 73 3HG1 VAL 73 -7.618 -19.384 -8.097 505 HG21 VAL 73 3HG2 VAL 73 -8.035 -15.606 -9.743 506 HG22 VAL 73 1HG2 VAL 73 -9.191 -16.939 -9.730 507 HG23 VAL 73 2HG2 VAL 73 -8.858 -16.046 -8.246 508 H VAL 74 H VAL 74 -7.092 -19.109 -5.784 509 HA VAL 74 HA VAL 74 -4.320 -20.046 -6.101 510 HB VAL 74 HB VAL 74 -4.803 -21.324 -3.957 511 HG11 VAL 74 1HG1 VAL 74 -4.911 -18.316 -3.775 512 HG12 VAL 74 2HG1 VAL 74 -4.294 -19.432 -2.555 513 HG13 VAL 74 3HG1 VAL 74 -3.451 -19.252 -4.094 514 HG21 VAL 74 3HG2 VAL 74 -6.901 -19.373 -3.269 515 HG22 VAL 74 1HG2 VAL 74 -7.378 -20.650 -4.388 516 HG23 VAL 74 2HG2 VAL 74 -6.725 -21.064 -2.803 517 H LYS 75 H LYS 75 -3.882 -22.142 -6.643 518 HA LYS 75 HA LYS 75 -6.140 -23.688 -7.682 519 HB2 LYS 75 1HB LYS 75 -3.171 -24.076 -8.107 520 HB3 LYS 75 2HB LYS 75 -4.454 -24.967 -8.916 521 HG2 LYS 75 1HG LYS 75 -4.088 -21.989 -9.134 522 HG3 LYS 75 2HG LYS 75 -3.420 -23.156 -10.277 523 HD2 LYS 75 1HD LYS 75 -6.328 -23.282 -9.644 524 HD3 LYS 75 2HD LYS 75 -5.749 -21.996 -10.707 525 HE2 LYS 75 1HE LYS 75 -5.176 -24.926 -11.125 526 HE3 LYS 75 2HE LYS 75 -6.508 -24.062 -11.891 527 HZ1 LYS 75 3HZ LYS 75 -4.503 -24.251 -13.297 528 HZ2 LYS 75 1HZ LYS 75 -3.651 -23.311 -12.178 529 HZ3 LYS 75 2HZ LYS 75 -4.964 -22.648 -13.013 530 H GLU 76 H GLU 76 -3.619 -23.781 -5.278 531 HA GLU 76 HA GLU 76 -4.528 -26.460 -4.456 532 HB2 GLU 76 1HB GLU 76 -2.033 -25.929 -5.121 533 HB3 GLU 76 2HB GLU 76 -1.955 -25.289 -3.486 534 HG2 GLU 76 1HG GLU 76 -2.637 -27.439 -2.588 535 HG3 GLU 76 2HG GLU 76 -2.779 -28.089 -4.220 536 H ARG 77 H ARG 77 -4.518 -26.876 -2.117 537 HA ARG 77 HA ARG 77 -5.412 -24.491 -0.650 538 HB2 ARG 77 1HB ARG 77 -6.666 -26.002 0.779 539 HB3 ARG 77 2HB ARG 77 -7.065 -26.305 -0.907 540 HG2 ARG 77 1HG ARG 77 -5.353 -28.179 -0.817 541 HG3 ARG 77 2HG ARG 77 -5.379 -27.966 0.935 542 HD2 ARG 77 1HD ARG 77 -7.799 -28.366 0.937 543 HD3 ARG 77 2HD ARG 77 -7.757 -28.597 -0.810 544 HE ARG 77 HE ARG 77 -5.953 -30.400 0.168 545 HH11 ARG 77 1HH1 ARG 77 -9.325 -29.732 0.721 546 HH12 ARG 77 2HH1 ARG 77 -9.722 -31.375 1.102 547 HH21 ARG 77 1HH2 ARG 77 -6.464 -32.566 0.667 548 HH22 ARG 77 2HH2 ARG 77 -8.094 -32.986 1.072 549 H GLY 78 H GLY 78 -5.121 -24.827 1.843 550 HA2 GLY 78 1HA GLY 78 -3.540 -26.000 3.426 551 HA3 GLY 78 2HA GLY 78 -2.296 -25.581 2.258 552 H ASP 79 H ASP 79 -1.287 -24.556 4.145 553 HA ASP 79 HA ASP 79 -2.536 -22.134 5.139 554 HB2 ASP 79 1HB ASP 79 0.170 -23.358 5.721 555 HB3 ASP 79 2HB ASP 79 -0.496 -21.945 6.536 556 H TYR 80 H TYR 80 -2.480 -20.374 3.911 557 HA TYR 80 HA TYR 80 -0.169 -19.912 2.167 558 HB2 TYR 80 1HB TYR 80 -3.007 -18.951 2.162 559 HB3 TYR 80 2HB TYR 80 -1.771 -18.009 1.336 560 HD1 TYR 80 1HD TYR 80 -3.515 -21.259 1.411 561 HD2 TYR 80 2HD TYR 80 -0.840 -18.742 -0.738 562 HE1 TYR 80 1HE TYR 80 -3.718 -22.728 -0.552 563 HE2 TYR 80 2HE TYR 80 -1.037 -20.203 -2.706 564 HH TYR 80 HH TYR 80 -1.908 -23.122 -2.749 565 H VAL 81 H VAL 81 0.531 -17.604 1.935 566 HA VAL 81 HA VAL 81 0.341 -16.130 4.474 567 HB VAL 81 HB VAL 81 2.877 -16.646 2.915 568 HG11 VAL 81 1HG1 VAL 81 3.663 -15.436 5.208 569 HG12 VAL 81 2HG1 VAL 81 3.430 -14.600 3.672 570 HG13 VAL 81 3HG1 VAL 81 2.150 -14.590 4.885 571 HG21 VAL 81 3HG2 VAL 81 1.618 -18.029 5.075 572 HG22 VAL 81 1HG2 VAL 81 3.136 -18.396 4.255 573 HG23 VAL 81 2HG2 VAL 81 3.125 -17.312 5.645 574 H LEU 82 H LEU 82 -0.654 -14.287 3.987 575 HA LEU 82 HA LEU 82 -0.286 -13.057 1.375 576 HB2 LEU 82 1HB LEU 82 -2.537 -13.161 2.128 577 HB3 LEU 82 2HB LEU 82 -2.111 -12.471 3.693 578 HG LEU 82 HG LEU 82 -1.551 -10.337 2.481 579 HD11 LEU 82 1HD1 LEU 82 -2.362 -12.021 0.213 580 HD12 LEU 82 2HD1 LEU 82 -1.300 -10.615 0.266 581 HD13 LEU 82 3HD1 LEU 82 -3.050 -10.397 0.235 582 HD21 LEU 82 3HD2 LEU 82 -3.734 -9.563 2.601 583 HD22 LEU 82 1HD2 LEU 82 -3.764 -10.979 3.652 584 HD23 LEU 82 2HD2 LEU 82 -4.413 -11.083 2.015 585 H ALA 83 H ALA 83 0.914 -11.297 0.989 586 HA ALA 83 HA ALA 83 2.066 -9.884 3.306 587 HB1 ALA 83 3HB ALA 83 3.932 -9.385 1.510 588 HB2 ALA 83 1HB ALA 83 3.940 -10.873 2.457 589 HB3 ALA 83 2HB ALA 83 3.323 -10.882 0.805 590 H VAL 84 H VAL 84 1.272 -7.900 3.474 591 HA VAL 84 HA VAL 84 0.754 -6.378 1.003 592 HB VAL 84 HB VAL 84 -0.815 -6.176 3.577 593 HG11 VAL 84 1HG1 VAL 84 -2.199 -5.010 1.439 594 HG12 VAL 84 2HG1 VAL 84 -1.448 -4.189 2.809 595 HG13 VAL 84 3HG1 VAL 84 -0.540 -4.426 1.315 596 HG21 VAL 84 3HG2 VAL 84 -1.012 -8.153 1.675 597 HG22 VAL 84 1HG2 VAL 84 -2.283 -7.671 2.799 598 HG23 VAL 84 2HG2 VAL 84 -2.242 -6.994 1.171 599 H LYS 85 H LYS 85 2.072 -4.704 0.816 600 HA LYS 85 HA LYS 85 3.182 -3.491 3.257 601 HB2 LYS 85 1HB LYS 85 4.226 -3.755 0.453 602 HB3 LYS 85 2HB LYS 85 4.849 -2.506 1.523 603 HG2 LYS 85 1HG LYS 85 5.422 -4.289 3.163 604 HG3 LYS 85 2HG LYS 85 4.948 -5.483 1.953 605 HD2 LYS 85 1HD LYS 85 7.225 -5.348 1.608 606 HD3 LYS 85 2HD LYS 85 6.619 -4.185 0.427 607 HE2 LYS 85 1HE LYS 85 7.278 -2.358 1.707 608 HE3 LYS 85 2HE LYS 85 7.361 -3.305 3.191 609 HZ1 LYS 85 3HZ LYS 85 9.237 -4.541 1.937 610 HZ2 LYS 85 1HZ LYS 85 9.565 -3.044 2.653 611 HZ3 LYS 85 2HZ LYS 85 9.300 -3.144 0.986 612 H TRP 86 H TRP 86 3.399 -1.189 3.353 613 HA TRP 86 HA TRP 86 1.570 0.269 1.565 614 HB2 TRP 86 1HB TRP 86 0.430 -0.033 3.681 615 HB3 TRP 86 2HB TRP 86 1.834 0.561 4.563 616 HD1 TRP 86 HD TRP 86 1.495 2.949 5.383 617 HE1 TRP 86 1HE TRP 86 0.242 5.037 4.549 618 HE3 TRP 86 3HE TRP 86 -0.453 1.052 1.053 619 HZ2 TRP 86 2HZ TRP 86 -1.361 5.781 2.348 620 HZ3 TRP 86 3HZ TRP 86 -1.836 2.518 -0.359 621 HH2 TRP 86 HH TRP 86 -2.279 4.833 0.276 622 H GLY 87 H GLY 87 3.267 1.079 0.323 623 HA2 GLY 87 1HA GLY 87 5.028 2.455 -0.226 624 HA3 GLY 87 2HA GLY 87 4.325 3.531 0.973 625 H GLU 88 H GLU 88 6.514 0.762 0.616 626 HA GLU 88 HA GLU 88 8.420 0.184 1.715 627 HB2 GLU 88 1HB GLU 88 8.314 3.132 2.294 628 HB3 GLU 88 2HB GLU 88 9.589 2.122 2.961 629 HG2 GLU 88 1HG GLU 88 9.868 1.372 0.465 630 HG3 GLU 88 2HG GLU 88 9.072 2.912 0.142 631 H GLU 89 H GLU 89 6.072 -0.489 2.974 632 HA GLU 89 HA GLU 89 6.965 -0.793 5.680 633 HB2 GLU 89 1HB GLU 89 4.566 0.937 5.085 634 HB3 GLU 89 2HB GLU 89 4.830 0.180 6.650 635 HG2 GLU 89 1HG GLU 89 7.162 1.360 6.479 636 HG3 GLU 89 2HG GLU 89 6.309 2.406 5.345 637 H HIS 90 H HIS 90 5.102 -1.905 6.996 638 HA HIS 90 HA HIS 90 3.655 -3.745 5.211 639 HB2 HIS 90 1HB HIS 90 5.437 -4.367 7.538 640 HB3 HIS 90 2HB HIS 90 4.093 -5.440 7.162 641 HD1 HIS 90 1HD HIS 90 4.620 -7.242 5.554 642 HD2 HIS 90 2HD HIS 90 7.197 -4.008 5.151 643 HE1 HIS 90 1HE HIS 90 6.303 -7.936 3.819 644 H ILE 91 H ILE 91 1.555 -3.412 5.492 645 HA ILE 91 HA ILE 91 0.270 -1.997 7.425 646 HB ILE 91 HB ILE 91 -1.781 -3.177 6.873 647 HG12 ILE 91 1HG1 ILE 91 -0.236 -5.098 5.160 648 HG13 ILE 91 2HG1 ILE 91 -0.509 -5.454 6.862 649 HG21 ILE 91 1HG2 ILE 91 -1.038 -1.558 5.271 650 HG22 ILE 91 2HG2 ILE 91 0.047 -2.728 4.522 651 HG23 ILE 91 3HG2 ILE 91 -1.699 -2.939 4.396 652 HD11 ILE 91 3HD1 ILE 91 -2.145 -6.452 5.234 653 HD12 ILE 91 1HD1 ILE 91 -2.844 -5.533 6.566 654 HD13 ILE 91 2HD1 ILE 91 -2.738 -4.814 4.959 655 HA PRO 92 HA PRO 92 0.378 -4.231 11.207 656 HB2 PRO 92 1HB PRO 92 -1.977 -3.452 12.311 657 HB3 PRO 92 2HB PRO 92 -0.578 -2.380 12.176 658 HG2 PRO 92 1HG PRO 92 -3.005 -2.558 10.431 659 HG3 PRO 92 2HG PRO 92 -2.168 -1.118 11.041 660 HD2 PRO 92 1HD PRO 92 -1.819 -2.049 8.522 661 HD3 PRO 92 2HD PRO 92 -0.527 -1.234 9.426 662 H GLY 93 H GLY 93 0.250 -6.399 10.643 663 HA2 GLY 93 1HA GLY 93 -1.492 -8.120 11.537 664 HA3 GLY 93 2HA GLY 93 -2.415 -7.531 10.162 665 H SER 94 H SER 94 0.154 -7.192 8.630 666 HA SER 94 HA SER 94 0.231 -9.910 7.607 667 HB2 SER 94 1HB SER 94 0.125 -8.481 5.802 668 HB3 SER 94 2HB SER 94 1.076 -7.229 6.601 669 HG SER 94 HG SER 94 2.875 -8.145 5.930 670 HA PRO 95 HA PRO 95 1.693 -10.917 6.081 671 HB2 PRO 95 1HB PRO 95 2.522 -13.466 6.507 672 HB3 PRO 95 2HB PRO 95 3.542 -12.238 5.749 673 HG2 PRO 95 1HG PRO 95 3.526 -13.200 8.583 674 HG3 PRO 95 2HG PRO 95 4.908 -12.859 7.526 675 HD2 PRO 95 1HD PRO 95 4.060 -11.121 9.421 676 HD3 PRO 95 2HD PRO 95 4.788 -10.587 7.892 677 H PHE 96 H PHE 96 -0.351 -11.612 5.986 678 HA PHE 96 HA PHE 96 -1.698 -12.423 8.405 679 HB2 PHE 96 1HB PHE 96 -2.587 -11.834 5.594 680 HB3 PHE 96 2HB PHE 96 -3.686 -12.585 6.747 681 HD1 PHE 96 2HD PHE 96 -1.500 -9.619 6.280 682 HD2 PHE 96 1HD PHE 96 -4.901 -11.278 8.228 683 HE1 PHE 96 2HE PHE 96 -2.062 -7.400 7.181 684 HE2 PHE 96 1HE PHE 96 -5.469 -9.061 9.132 685 HZ PHE 96 HZ PHE 96 -4.048 -7.118 8.610 686 H HIS 97 H HIS 97 -2.913 -14.361 8.653 687 HA HIS 97 HA HIS 97 -1.713 -16.628 7.228 688 HB2 HIS 97 1HB HIS 97 -1.554 -16.596 9.706 689 HB3 HIS 97 2HB HIS 97 -3.313 -16.621 9.797 690 HD1 HIS 97 1HD HIS 97 -3.451 -18.885 10.957 691 HD2 HIS 97 2HD HIS 97 -1.403 -19.004 7.345 692 HE1 HIS 97 1HE HIS 97 -3.159 -21.327 10.430 693 H VAL 98 H VAL 98 -2.883 -17.006 5.430 694 HA VAL 98 HA VAL 98 -5.812 -17.129 5.672 695 HB VAL 98 HB VAL 98 -4.119 -16.954 3.174 696 HG11 VAL 98 1HG1 VAL 98 -6.570 -18.053 3.322 697 HG12 VAL 98 2HG1 VAL 98 -7.006 -16.357 3.102 698 HG13 VAL 98 3HG1 VAL 98 -5.982 -17.167 1.916 699 HG21 VAL 98 3HG2 VAL 98 -5.482 -14.684 3.137 700 HG22 VAL 98 1HG2 VAL 98 -5.453 -14.923 4.884 701 HG23 VAL 98 2HG2 VAL 98 -3.941 -14.826 3.981 702 H THR 99 H THR 99 -6.566 -19.105 6.028 703 HA THR 99 HA THR 99 -5.090 -21.427 5.035 704 HB THR 99 HB THR 99 -7.436 -21.281 6.939 705 HG1 THR 99 1HG THR 99 -4.651 -21.729 7.358 706 HG21 THR 99 3HG2 THR 99 -6.559 -23.687 7.417 707 HG22 THR 99 1HG2 THR 99 -5.879 -23.568 5.795 708 HG23 THR 99 2HG2 THR 99 -7.619 -23.409 6.035 709 H VAL 100 H VAL 100 -6.084 -23.073 3.816 710 HA VAL 100 HA VAL 100 -8.635 -22.347 2.539 711 HB VAL 100 HB VAL 100 -6.195 -23.434 1.126 712 HG11 VAL 100 1HG1 VAL 100 -8.955 -23.682 0.495 713 HG12 VAL 100 2HG1 VAL 100 -8.216 -22.583 -0.672 714 HG13 VAL 100 3HG1 VAL 100 -7.558 -24.205 -0.446 715 HG21 VAL 100 3HG2 VAL 100 -6.871 -21.166 -0.181 716 HG22 VAL 100 1HG2 VAL 100 -7.326 -20.739 1.468 717 HG23 VAL 100 2HG2 VAL 100 -5.673 -21.240 1.112 718 HA PRO 101 HA PRO 101 -9.649 -26.471 3.852 719 HB2 PRO 101 1HB PRO 101 -12.118 -26.540 2.726 720 HB3 PRO 101 2HB PRO 101 -11.767 -25.661 4.218 721 HG2 PRO 101 1HG PRO 101 -11.997 -24.625 1.419 722 HG3 PRO 101 2HG PRO 101 -12.631 -23.934 2.924 723 HD2 PRO 101 1HD PRO 101 -10.367 -23.029 1.746 724 HD3 PRO 101 2HD PRO 101 -10.599 -23.015 3.506 Start of MODEL 19 1 H1 GLY 1 H GLY 1 17.276 16.312 -8.701 2 HA2 GLY 1 1HA GLY 1 18.000 14.191 -9.772 3 HA3 GLY 1 2HA GLY 1 17.615 13.411 -8.245 4 H SER 2 H SER 2 16.135 11.995 -9.174 5 HA SER 2 HA SER 2 13.653 13.258 -10.142 6 HB2 SER 2 1HB SER 2 15.047 11.800 -11.771 7 HB3 SER 2 2HB SER 2 14.442 10.437 -10.830 8 HG SER 2 HG SER 2 13.017 12.274 -12.418 9 H SER 3 H SER 3 14.841 10.246 -8.644 10 HA SER 3 HA SER 3 12.358 9.479 -7.566 11 HB2 SER 3 1HB SER 3 14.200 7.891 -7.840 12 HB3 SER 3 2HB SER 3 15.154 8.767 -6.644 13 HG SER 3 HG SER 3 13.076 8.309 -5.320 14 H GLY 4 H GLY 4 11.446 9.732 -5.547 15 HA2 GLY 4 1HA GLY 4 12.017 10.447 -3.169 16 HA3 GLY 4 2HA GLY 4 12.602 11.917 -3.936 17 H SER 5 H SER 5 9.934 10.344 -2.583 18 HA SER 5 HA SER 5 8.139 12.459 -3.581 19 HB2 SER 5 1HB SER 5 7.386 9.644 -2.756 20 HB3 SER 5 2HB SER 5 6.268 10.891 -3.309 21 HG SER 5 HG SER 5 6.676 10.101 -5.211 22 H SER 6 H SER 6 6.874 13.537 -2.116 23 HA SER 6 HA SER 6 7.688 14.185 0.337 24 HB2 SER 6 1HB SER 6 5.554 15.033 0.808 25 HB3 SER 6 2HB SER 6 5.576 14.962 -0.954 26 HG SER 6 HG SER 6 4.555 12.836 -0.676 27 H GLY 7 H GLY 7 5.775 11.307 -0.407 28 HA2 GLY 7 1HA GLY 7 5.494 9.351 0.766 29 HA3 GLY 7 2HA GLY 7 6.844 9.850 1.775 30 H SER 8 H SER 8 6.377 10.078 3.848 31 HA SER 8 HA SER 8 5.210 10.321 5.787 32 HB2 SER 8 1HB SER 8 3.709 12.316 4.076 33 HB3 SER 8 2HB SER 8 3.531 12.177 5.825 34 HG SER 8 HG SER 8 5.767 12.653 6.002 35 H SER 9 H SER 9 4.505 8.051 4.636 36 HA SER 9 HA SER 9 1.562 7.977 4.789 37 HB2 SER 9 1HB SER 9 1.670 5.950 3.375 38 HB3 SER 9 2HB SER 9 2.368 7.353 2.565 39 HG SER 9 HG SER 9 4.092 5.760 4.062 40 H ASP 10 H ASP 10 0.661 6.773 6.337 41 HA ASP 10 HA ASP 10 2.439 5.121 7.994 42 HB2 ASP 10 1HB ASP 10 1.094 7.066 8.989 43 HB3 ASP 10 2HB ASP 10 -0.324 6.046 8.763 44 H ALA 11 H ALA 11 2.114 2.984 8.230 45 HA ALA 11 HA ALA 11 0.074 1.743 6.564 46 HB1 ALA 11 3HB ALA 11 2.228 0.379 8.167 47 HB2 ALA 11 1HB ALA 11 1.286 -0.292 6.836 48 HB3 ALA 11 2HB ALA 11 2.459 0.988 6.528 49 H SER 12 H SER 12 1.085 1.808 9.961 50 HA SER 12 HA SER 12 -0.595 -0.047 11.069 51 HB2 SER 12 1HB SER 12 1.139 1.578 12.169 52 HB3 SER 12 2HB SER 12 -0.269 2.605 12.435 53 HG SER 12 HG SER 12 0.017 -0.087 13.292 54 H LYS 13 H LYS 13 -1.433 2.992 9.657 55 HA LYS 13 HA LYS 13 -4.062 3.106 10.848 56 HB2 LYS 13 1HB LYS 13 -2.903 4.708 8.560 57 HB3 LYS 13 2HB LYS 13 -4.396 5.064 9.418 58 HG2 LYS 13 1HG LYS 13 -1.649 5.053 10.652 59 HG3 LYS 13 2HG LYS 13 -2.531 6.490 10.129 60 HD2 LYS 13 1HD LYS 13 -3.583 4.537 12.169 61 HD3 LYS 13 2HD LYS 13 -2.670 5.989 12.587 62 HE2 LYS 13 1HE LYS 13 -4.363 7.363 11.469 63 HE3 LYS 13 2HE LYS 13 -5.274 5.910 11.064 64 HZ1 LYS 13 3HZ LYS 13 -6.282 6.089 13.012 65 HZ2 LYS 13 1HZ LYS 13 -5.322 7.413 13.447 66 HZ3 LYS 13 2HZ LYS 13 -4.806 5.841 13.800 67 H VAL 14 H VAL 14 -2.626 2.123 7.791 68 HA VAL 14 HA VAL 14 -4.945 1.843 6.263 69 HB VAL 14 HB VAL 14 -2.322 0.366 6.174 70 HG11 VAL 14 1HG1 VAL 14 -3.384 -1.234 5.021 71 HG12 VAL 14 2HG1 VAL 14 -4.833 -0.249 4.807 72 HG13 VAL 14 3HG1 VAL 14 -3.457 -0.044 3.722 73 HG21 VAL 14 3HG2 VAL 14 -2.297 2.741 5.567 74 HG22 VAL 14 1HG2 VAL 14 -1.948 1.712 4.178 75 HG23 VAL 14 2HG2 VAL 14 -3.543 2.442 4.356 76 H THR 15 H THR 15 -6.572 0.426 6.252 77 HA THR 15 HA THR 15 -6.301 -2.016 7.882 78 HB THR 15 HB THR 15 -8.750 -1.840 8.341 79 HG1 THR 15 1HG THR 15 -8.381 0.492 6.829 80 HG21 THR 15 3HG2 THR 15 -8.205 0.561 9.635 81 HG22 THR 15 1HG2 THR 15 -6.626 -0.194 9.427 82 HG23 THR 15 2HG2 THR 15 -7.915 -1.061 10.262 83 H SER 16 H SER 16 -7.281 -3.892 7.120 84 HA SER 16 HA SER 16 -8.347 -3.765 4.377 85 HB2 SER 16 1HB SER 16 -7.189 -5.885 3.880 86 HB3 SER 16 2HB SER 16 -6.046 -4.612 4.308 87 HG SER 16 HG SER 16 -5.961 -5.509 6.412 88 H LYS 17 H LYS 17 -10.010 -5.162 3.874 89 HA LYS 17 HA LYS 17 -10.972 -6.965 5.973 90 HB2 LYS 17 1HB LYS 17 -13.223 -6.132 5.846 91 HB3 LYS 17 2HB LYS 17 -12.154 -4.779 6.193 92 HG2 LYS 17 1HG LYS 17 -12.875 -5.357 3.362 93 HG3 LYS 17 2HG LYS 17 -14.056 -4.569 4.411 94 HD2 LYS 17 1HD LYS 17 -11.265 -3.523 4.346 95 HD3 LYS 17 2HD LYS 17 -12.341 -3.161 2.994 96 HE2 LYS 17 1HE LYS 17 -12.803 -1.377 4.342 97 HE3 LYS 17 2HE LYS 17 -14.001 -2.522 4.944 98 HZ1 LYS 17 3HZ LYS 17 -11.991 -1.253 6.382 99 HZ2 LYS 17 1HZ LYS 17 -11.575 -2.892 6.324 100 HZ3 LYS 17 2HZ LYS 17 -13.079 -2.423 6.939 101 H GLY 18 H GLY 18 -12.392 -8.627 5.220 102 HA2 GLY 18 1HA GLY 18 -13.630 -9.401 3.145 103 HA3 GLY 18 2HA GLY 18 -12.103 -9.115 2.323 104 H ALA 19 H ALA 19 -13.795 -11.575 2.845 105 HA ALA 19 HA ALA 19 -12.708 -13.348 4.621 106 HB1 ALA 19 3HB ALA 19 -14.632 -13.744 3.049 107 HB2 ALA 19 1HB ALA 19 -13.439 -14.115 1.804 108 HB3 ALA 19 2HB ALA 19 -13.533 -15.107 3.260 109 H GLY 20 H GLY 20 -11.564 -12.779 1.289 110 HA2 GLY 20 1HA GLY 20 -9.536 -14.514 0.999 111 HA3 GLY 20 2HA GLY 20 -9.385 -12.839 0.491 112 H LEU 21 H LEU 21 -9.496 -11.755 3.177 113 HA LEU 21 HA LEU 21 -6.720 -11.976 3.819 114 HB2 LEU 21 1HB LEU 21 -8.954 -10.622 5.324 115 HB3 LEU 21 2HB LEU 21 -7.231 -10.406 5.625 116 HG LEU 21 HG LEU 21 -8.484 -9.709 2.983 117 HD11 LEU 21 1HD1 LEU 21 -8.686 -7.423 3.742 118 HD12 LEU 21 2HD1 LEU 21 -8.107 -7.874 5.345 119 HD13 LEU 21 3HD1 LEU 21 -9.657 -8.483 4.765 120 HD21 LEU 21 3HD2 LEU 21 -6.440 -8.021 3.320 121 HD22 LEU 21 1HD2 LEU 21 -6.253 -9.619 2.597 122 HD23 LEU 21 2HD2 LEU 21 -5.854 -9.369 4.297 123 H SER 22 H SER 22 -9.723 -13.104 5.299 124 HA SER 22 HA SER 22 -8.368 -14.268 7.559 125 HB2 SER 22 1HB SER 22 -10.722 -13.369 7.634 126 HB3 SER 22 2HB SER 22 -11.214 -14.753 6.659 127 HG SER 22 HG SER 22 -10.330 -14.663 9.316 128 H LYS 23 H LYS 23 -10.222 -15.597 4.819 129 HA LYS 23 HA LYS 23 -8.414 -17.878 4.726 130 HB2 LYS 23 1HB LYS 23 -10.463 -19.413 4.565 131 HB3 LYS 23 2HB LYS 23 -10.004 -18.838 6.163 132 HG2 LYS 23 1HG LYS 23 -11.747 -17.162 6.098 133 HG3 LYS 23 2HG LYS 23 -12.175 -17.641 4.453 134 HD2 LYS 23 1HD LYS 23 -13.738 -18.836 5.612 135 HD3 LYS 23 2HD LYS 23 -12.424 -20.015 5.600 136 HE2 LYS 23 1HE LYS 23 -11.713 -19.129 7.822 137 HE3 LYS 23 2HE LYS 23 -13.161 -18.124 7.830 138 HZ1 LYS 23 3HZ LYS 23 -13.390 -21.033 7.435 139 HZ2 LYS 23 1HZ LYS 23 -14.529 -19.946 8.054 140 HZ3 LYS 23 2HZ LYS 23 -13.202 -20.407 8.995 141 H ALA 24 H ALA 24 -8.776 -19.223 2.781 142 HA ALA 24 HA ALA 24 -10.218 -17.848 0.631 143 HB1 ALA 24 3HB ALA 24 -7.964 -18.688 -0.673 144 HB2 ALA 24 1HB ALA 24 -8.286 -17.036 -0.146 145 HB3 ALA 24 2HB ALA 24 -7.319 -18.112 0.864 146 H PHE 25 H PHE 25 -10.997 -19.179 -0.982 147 HA PHE 25 HA PHE 25 -10.697 -22.066 -0.485 148 HB2 PHE 25 1HB PHE 25 -13.021 -20.501 -1.615 149 HB3 PHE 25 2HB PHE 25 -12.927 -22.259 -1.646 150 HD1 PHE 25 2HD PHE 25 -12.538 -19.475 0.811 151 HD2 PHE 25 1HD PHE 25 -14.019 -23.386 0.020 152 HE1 PHE 25 2HE PHE 25 -13.507 -19.561 3.070 153 HE2 PHE 25 1HE PHE 25 -14.993 -23.477 2.278 154 HZ PHE 25 HZ PHE 25 -14.736 -21.564 3.807 155 H VAL 26 H VAL 26 -10.295 -23.447 -2.181 156 HA VAL 26 HA VAL 26 -8.802 -22.479 -4.344 157 HB VAL 26 HB VAL 26 -10.198 -25.152 -4.180 158 HG11 VAL 26 1HG1 VAL 26 -9.400 -25.265 -6.282 159 HG12 VAL 26 2HG1 VAL 26 -8.247 -23.954 -6.026 160 HG13 VAL 26 3HG1 VAL 26 -7.865 -25.586 -5.476 161 HG21 VAL 26 3HG2 VAL 26 -8.898 -24.859 -2.185 162 HG22 VAL 26 1HG2 VAL 26 -8.025 -25.952 -3.260 163 HG23 VAL 26 2HG2 VAL 26 -7.520 -24.268 -3.113 164 H GLY 27 H GLY 27 -9.285 -21.953 -6.413 165 HA2 GLY 27 1HA GLY 27 -10.537 -21.678 -8.344 166 HA3 GLY 27 2HA GLY 27 -11.816 -22.633 -7.609 167 H GLN 28 H GLN 28 -12.464 -21.233 -5.382 168 HA GLN 28 HA GLN 28 -14.090 -19.177 -6.393 169 HB2 GLN 28 1HB GLN 28 -13.279 -19.849 -3.563 170 HB3 GLN 28 2HB GLN 28 -14.490 -18.640 -3.968 171 HG2 GLN 28 1HG GLN 28 -15.823 -20.378 -5.082 172 HG3 GLN 28 2HG GLN 28 -14.624 -21.578 -4.605 173 HE21 GLN 28 1HE2 GLN 28 -16.273 -18.890 -2.973 174 HE22 GLN 28 2HE2 GLN 28 -16.817 -19.819 -1.622 175 H LYS 29 H LYS 29 -13.332 -17.338 -7.208 176 HA LYS 29 HA LYS 29 -10.851 -16.181 -6.650 177 HB2 LYS 29 1HB LYS 29 -12.491 -15.750 -8.605 178 HB3 LYS 29 2HB LYS 29 -13.225 -14.564 -7.535 179 HG2 LYS 29 1HG LYS 29 -11.267 -13.254 -7.476 180 HG3 LYS 29 2HG LYS 29 -10.298 -14.539 -8.202 181 HD2 LYS 29 1HD LYS 29 -12.633 -13.443 -9.705 182 HD3 LYS 29 2HD LYS 29 -11.132 -12.515 -9.647 183 HE2 LYS 29 1HE LYS 29 -9.903 -14.368 -10.587 184 HE3 LYS 29 2HE LYS 29 -11.336 -15.393 -10.526 185 HZ1 LYS 29 3HZ LYS 29 -10.593 -13.380 -12.456 186 HZ2 LYS 29 1HZ LYS 29 -12.208 -13.297 -11.959 187 HZ3 LYS 29 2HZ LYS 29 -11.602 -14.727 -12.630 188 H SER 30 H SER 30 -10.152 -15.287 -4.835 189 HA SER 30 HA SER 30 -12.090 -14.163 -2.949 190 HB2 SER 30 1HB SER 30 -9.316 -15.256 -2.699 191 HB3 SER 30 2HB SER 30 -9.882 -14.091 -1.502 192 HG SER 30 HG SER 30 -10.338 -16.641 -1.495 193 H SER 31 H SER 31 -12.191 -12.049 -2.474 194 HA SER 31 HA SER 31 -10.083 -10.285 -3.527 195 HB2 SER 31 1HB SER 31 -11.591 -8.856 -4.539 196 HB3 SER 31 2HB SER 31 -12.405 -10.400 -4.787 197 HG SER 31 HG SER 31 -13.374 -9.783 -2.587 198 H PHE 32 H PHE 32 -9.758 -8.325 -2.388 199 HA PHE 32 HA PHE 32 -11.177 -7.934 0.118 200 HB2 PHE 32 1HB PHE 32 -9.091 -7.874 1.445 201 HB3 PHE 32 2HB PHE 32 -9.407 -9.472 0.776 202 HD1 PHE 32 1HD PHE 32 -7.410 -6.392 0.287 203 HD2 PHE 32 2HD PHE 32 -7.836 -10.535 -0.591 204 HE1 PHE 32 1HE PHE 32 -5.168 -6.405 -0.726 205 HE2 PHE 32 2HE PHE 32 -5.595 -10.554 -1.605 206 HZ PHE 32 HZ PHE 32 -4.257 -8.488 -1.672 207 H LEU 33 H LEU 33 -11.286 -5.831 0.704 208 HA LEU 33 HA LEU 33 -9.953 -3.906 -1.057 209 HB2 LEU 33 1HB LEU 33 -12.507 -4.005 -0.558 210 HB3 LEU 33 2HB LEU 33 -12.060 -3.185 0.937 211 HG LEU 33 HG LEU 33 -12.866 -1.739 -0.997 212 HD11 LEU 33 1HD1 LEU 33 -10.211 -0.706 -0.322 213 HD12 LEU 33 2HD1 LEU 33 -11.157 -1.248 1.063 214 HD13 LEU 33 3HD1 LEU 33 -11.809 -0.022 -0.024 215 HD21 LEU 33 3HD2 LEU 33 -10.098 -1.809 -2.054 216 HD22 LEU 33 1HD2 LEU 33 -11.617 -1.442 -2.871 217 HD23 LEU 33 2HD2 LEU 33 -11.183 -3.117 -2.529 218 H VAL 34 H VAL 34 -8.876 -2.076 -0.225 219 HA VAL 34 HA VAL 34 -8.110 -2.251 2.614 220 HB VAL 34 HB VAL 34 -6.244 -1.599 0.328 221 HG11 VAL 34 1HG1 VAL 34 -4.562 -1.221 1.873 222 HG12 VAL 34 2HG1 VAL 34 -5.962 -0.480 2.650 223 HG13 VAL 34 3HG1 VAL 34 -5.411 -2.076 3.161 224 HG21 VAL 34 3HG2 VAL 34 -5.227 -3.699 0.650 225 HG22 VAL 34 1HG2 VAL 34 -6.095 -3.977 2.160 226 HG23 VAL 34 2HG2 VAL 34 -6.960 -4.024 0.623 227 H ASP 35 H ASP 35 -8.875 -0.498 3.585 228 HA ASP 35 HA ASP 35 -9.256 1.975 2.115 229 HB2 ASP 35 1HB ASP 35 -10.939 1.071 3.762 230 HB3 ASP 35 2HB ASP 35 -9.793 1.456 5.043 231 H CYS 36 H CYS 36 -7.736 3.474 1.970 232 HA CYS 36 HA CYS 36 -5.722 3.647 4.114 233 HB2 CYS 36 1HB CYS 36 -4.165 4.520 2.408 234 HB3 CYS 36 2HB CYS 36 -4.726 2.898 2.020 235 HG CYS 36 HG CYS 36 -4.726 5.482 0.109 236 H SER 37 H SER 37 -8.325 5.002 3.940 237 HA SER 37 HA SER 37 -8.232 7.620 3.085 238 HB2 SER 37 1HB SER 37 -9.970 8.092 4.726 239 HB3 SER 37 2HB SER 37 -10.248 6.504 4.010 240 HG SER 37 HG SER 37 -9.820 5.573 5.873 241 H LYS 38 H LYS 38 -7.737 6.687 6.491 242 HA LYS 38 HA LYS 38 -6.202 9.121 6.922 243 HB2 LYS 38 1HB LYS 38 -7.094 6.966 8.846 244 HB3 LYS 38 2HB LYS 38 -6.258 8.443 9.307 245 HG2 LYS 38 1HG LYS 38 -8.106 9.788 8.605 246 HG3 LYS 38 2HG LYS 38 -8.921 8.387 7.906 247 HD2 LYS 38 1HD LYS 38 -9.302 7.435 10.050 248 HD3 LYS 38 2HD LYS 38 -8.224 8.595 10.829 249 HE2 LYS 38 1HE LYS 38 -9.820 10.396 10.025 250 HE3 LYS 38 2HE LYS 38 -10.934 9.092 9.619 251 HZ1 LYS 38 3HZ LYS 38 -9.805 9.563 12.325 252 HZ2 LYS 38 1HZ LYS 38 -10.968 8.407 11.906 253 HZ3 LYS 38 2HZ LYS 38 -11.345 10.054 11.826 254 H ALA 39 H ALA 39 -5.155 6.856 5.310 255 HA ALA 39 HA ALA 39 -2.917 5.937 6.958 256 HB1 ALA 39 3HB ALA 39 -2.428 4.604 4.786 257 HB2 ALA 39 1HB ALA 39 -3.769 4.113 5.822 258 HB3 ALA 39 2HB ALA 39 -4.081 5.041 4.354 259 H GLY 40 H GLY 40 -3.319 7.166 3.624 260 HA2 GLY 40 1HA GLY 40 -1.752 9.372 3.664 261 HA3 GLY 40 2HA GLY 40 -0.575 8.071 3.573 262 H SER 41 H SER 41 -0.289 9.578 1.546 263 HA SER 41 HA SER 41 -1.976 8.559 -0.638 264 HB2 SER 41 1HB SER 41 -0.480 11.111 -0.219 265 HB3 SER 41 2HB SER 41 -0.687 10.524 -1.869 266 HG SER 41 HG SER 41 -2.385 11.951 -0.735 267 H ASN 42 H ASN 42 -0.611 6.557 -0.323 268 HA ASN 42 HA ASN 42 1.812 6.774 -1.983 269 HB2 ASN 42 1HB ASN 42 1.396 5.409 0.627 270 HB3 ASN 42 2HB ASN 42 2.401 4.584 -0.560 271 HD21 ASN 42 1HD2 ASN 42 4.458 4.926 -0.187 272 HD22 ASN 42 2HD2 ASN 42 5.171 6.411 0.332 273 H MET 43 H MET 43 2.437 4.310 -2.586 274 HA MET 43 HA MET 43 0.083 3.317 -4.014 275 HB2 MET 43 1HB MET 43 1.787 1.991 -5.311 276 HB3 MET 43 2HB MET 43 1.930 3.737 -5.459 277 HG2 MET 43 1HG MET 43 3.823 3.804 -4.063 278 HG3 MET 43 2HG MET 43 3.561 2.154 -3.504 279 HE1 MET 43 3HE MET 43 3.020 0.411 -5.469 280 HE2 MET 43 1HE MET 43 4.197 0.125 -6.751 281 HE3 MET 43 2HE MET 43 4.660 -0.096 -5.064 282 H LEU 44 H LEU 44 -0.783 1.342 -3.680 283 HA LEU 44 HA LEU 44 0.300 -0.217 -1.448 284 HB2 LEU 44 1HB LEU 44 -2.065 0.555 -1.392 285 HB3 LEU 44 2HB LEU 44 -2.383 -0.455 -2.800 286 HG LEU 44 HG LEU 44 -1.449 -2.350 -1.208 287 HD11 LEU 44 1HD1 LEU 44 -2.265 -0.136 0.631 288 HD12 LEU 44 2HD1 LEU 44 -0.857 -1.193 0.712 289 HD13 LEU 44 3HD1 LEU 44 -2.456 -1.823 1.107 290 HD21 LEU 44 3HD2 LEU 44 -4.189 -1.148 -1.348 291 HD22 LEU 44 1HD2 LEU 44 -3.875 -2.574 -0.359 292 HD23 LEU 44 2HD2 LEU 44 -3.578 -2.624 -2.097 293 H LEU 45 H LEU 45 1.590 -1.844 -1.980 294 HA LEU 45 HA LEU 45 0.994 -3.366 -4.432 295 HB2 LEU 45 1HB LEU 45 3.271 -3.743 -4.774 296 HB3 LEU 45 2HB LEU 45 3.163 -2.045 -4.315 297 HG LEU 45 HG LEU 45 5.073 -2.957 -3.237 298 HD11 LEU 45 1HD1 LEU 45 3.457 -1.493 -1.918 299 HD12 LEU 45 2HD1 LEU 45 4.644 -2.416 -0.998 300 HD13 LEU 45 3HD1 LEU 45 2.974 -2.974 -1.091 301 HD21 LEU 45 3HD2 LEU 45 3.813 -5.354 -3.355 302 HD22 LEU 45 1HD2 LEU 45 3.662 -4.978 -1.639 303 HD23 LEU 45 2HD2 LEU 45 5.256 -5.031 -2.392 304 H ILE 46 H ILE 46 1.744 -5.666 -4.346 305 HA ILE 46 HA ILE 46 1.453 -6.788 -1.638 306 HB ILE 46 HB ILE 46 0.290 -7.998 -4.148 307 HG12 ILE 46 1HG1 ILE 46 -0.842 -5.883 -3.416 308 HG13 ILE 46 2HG1 ILE 46 -1.878 -7.306 -3.366 309 HG21 ILE 46 1HG2 ILE 46 0.724 -9.758 -2.688 310 HG22 ILE 46 2HG2 ILE 46 0.317 -8.802 -1.263 311 HG23 ILE 46 3HG2 ILE 46 -0.959 -9.351 -2.350 312 HD11 ILE 46 3HD1 ILE 46 -1.532 -7.466 -0.955 313 HD12 ILE 46 1HD1 ILE 46 -0.505 -6.033 -1.010 314 HD13 ILE 46 2HD1 ILE 46 -2.217 -5.908 -1.418 315 H GLY 47 H GLY 47 2.430 -8.870 -1.307 316 HA2 GLY 47 1HA GLY 47 4.441 -9.612 -3.329 317 HA3 GLY 47 2HA GLY 47 4.924 -9.361 -1.658 318 H VAL 48 H VAL 48 2.194 -11.053 -3.207 319 HA VAL 48 HA VAL 48 1.708 -13.025 -1.453 320 HB VAL 48 HB VAL 48 1.310 -14.567 -3.465 321 HG11 VAL 48 1HG1 VAL 48 0.009 -11.927 -2.969 322 HG12 VAL 48 2HG1 VAL 48 -0.542 -12.932 -4.311 323 HG13 VAL 48 3HG1 VAL 48 -0.597 -13.554 -2.661 324 HG21 VAL 48 3HG2 VAL 48 1.823 -12.040 -5.020 325 HG22 VAL 48 1HG2 VAL 48 2.997 -13.349 -4.887 326 HG23 VAL 48 2HG2 VAL 48 1.433 -13.641 -5.648 327 H HIS 49 H HIS 49 3.415 -13.787 -0.257 328 HA HIS 49 HA HIS 49 5.879 -14.663 -1.254 329 HB2 HIS 49 1HB HIS 49 5.014 -14.230 1.207 330 HB3 HIS 49 2HB HIS 49 4.706 -15.964 1.167 331 HD1 HIS 49 1HD HIS 49 7.226 -13.670 2.126 332 HD2 HIS 49 2HD HIS 49 7.243 -17.371 0.239 333 HE1 HIS 49 1HE HIS 49 9.559 -14.563 2.418 334 H GLY 50 H GLY 50 6.661 -16.634 -1.905 335 HA2 GLY 50 1HA GLY 50 4.610 -18.690 -2.440 336 HA3 GLY 50 2HA GLY 50 6.011 -18.402 -3.460 337 HA PRO 51 HA PRO 51 7.747 -20.496 0.533 338 HB2 PRO 51 1HB PRO 51 5.933 -21.361 2.358 339 HB3 PRO 51 2HB PRO 51 6.642 -19.743 2.401 340 HG2 PRO 51 1HG PRO 51 3.982 -20.617 1.342 341 HG3 PRO 51 2HG PRO 51 4.384 -19.193 2.320 342 HD2 PRO 51 1HD PRO 51 4.012 -19.063 -0.359 343 HD3 PRO 51 2HD PRO 51 5.148 -18.003 0.500 344 H THR 52 H THR 52 4.502 -21.716 -0.290 345 HA THR 52 HA THR 52 5.684 -24.391 -0.655 346 HB THR 52 HB THR 52 3.233 -25.156 -0.493 347 HG1 THR 52 1HG THR 52 2.007 -23.381 -0.474 348 HG21 THR 52 3HG2 THR 52 5.180 -25.132 1.312 349 HG22 THR 52 1HG2 THR 52 3.544 -25.646 1.719 350 HG23 THR 52 2HG2 THR 52 4.081 -24.014 2.119 351 H THR 53 H THR 53 3.267 -22.145 -1.974 352 HA THR 53 HA THR 53 3.961 -22.931 -4.665 353 HB THR 53 HB THR 53 1.346 -23.215 -5.075 354 HG1 THR 53 1HG THR 53 0.837 -23.007 -2.831 355 HG21 THR 53 3HG2 THR 53 3.049 -25.473 -4.019 356 HG22 THR 53 1HG2 THR 53 3.156 -24.820 -5.653 357 HG23 THR 53 2HG2 THR 53 1.673 -25.606 -5.113 358 HA PRO 54 HA PRO 54 2.995 -18.658 -5.222 359 HB2 PRO 54 1HB PRO 54 3.034 -18.617 -7.936 360 HB3 PRO 54 2HB PRO 54 4.502 -18.709 -6.956 361 HG2 PRO 54 1HG PRO 54 3.017 -20.901 -8.354 362 HG3 PRO 54 2HG PRO 54 4.765 -20.616 -8.260 363 HD2 PRO 54 1HD PRO 54 3.501 -22.443 -6.711 364 HD3 PRO 54 2HD PRO 54 4.931 -21.547 -6.158 365 H CYS 55 H CYS 55 1.350 -17.283 -6.126 366 HA CYS 55 HA CYS 55 -1.236 -18.553 -6.163 367 HB2 CYS 55 1HB CYS 55 -0.508 -16.224 -5.162 368 HB3 CYS 55 2HB CYS 55 -0.857 -15.654 -6.789 369 HG CYS 55 HG CYS 55 -2.940 -15.609 -4.529 370 H GLU 56 H GLU 56 -2.778 -18.398 -7.848 371 HA GLU 56 HA GLU 56 -1.770 -18.924 -10.418 372 HB2 GLU 56 1HB GLU 56 -4.541 -18.257 -9.434 373 HB3 GLU 56 2HB GLU 56 -4.202 -18.640 -11.116 374 HG2 GLU 56 1HG GLU 56 -3.642 -20.454 -8.782 375 HG3 GLU 56 2HG GLU 56 -5.041 -20.566 -9.848 376 H GLU 57 H GLU 57 -3.170 -16.009 -8.991 377 HA GLU 57 HA GLU 57 -1.746 -14.282 -10.715 378 HB2 GLU 57 1HB GLU 57 -3.169 -14.704 -12.493 379 HB3 GLU 57 2HB GLU 57 -4.563 -14.960 -11.452 380 HG2 GLU 57 1HG GLU 57 -4.611 -12.540 -10.978 381 HG3 GLU 57 2HG GLU 57 -3.278 -12.319 -12.109 382 H VAL 58 H VAL 58 -2.468 -11.972 -10.443 383 HA VAL 58 HA VAL 58 -4.057 -11.481 -8.047 384 HB VAL 58 HB VAL 58 -1.244 -10.410 -8.290 385 HG11 VAL 58 1HG1 VAL 58 -1.705 -9.063 -6.572 386 HG12 VAL 58 2HG1 VAL 58 -3.405 -9.407 -6.899 387 HG13 VAL 58 3HG1 VAL 58 -2.531 -10.343 -5.685 388 HG21 VAL 58 3HG2 VAL 58 -0.991 -12.705 -7.813 389 HG22 VAL 58 1HG2 VAL 58 -0.860 -11.884 -6.258 390 HG23 VAL 58 2HG2 VAL 58 -2.357 -12.705 -6.697 391 H SER 59 H SER 59 -5.539 -10.153 -8.894 392 HA SER 59 HA SER 59 -4.723 -8.089 -10.794 393 HB2 SER 59 1HB SER 59 -7.124 -7.768 -11.180 394 HB3 SER 59 2HB SER 59 -6.689 -9.468 -11.351 395 HG SER 59 HG SER 59 -8.611 -8.681 -9.947 396 H MET 60 H MET 60 -3.931 -6.325 -9.826 397 HA MET 60 HA MET 60 -5.326 -5.281 -7.456 398 HB2 MET 60 1HB MET 60 -2.565 -4.551 -8.441 399 HB3 MET 60 2HB MET 60 -3.294 -4.101 -6.906 400 HG2 MET 60 1HG MET 60 -3.005 -6.184 -5.996 401 HG3 MET 60 2HG MET 60 -2.988 -6.985 -7.566 402 HE1 MET 60 3HE MET 60 0.316 -4.073 -6.609 403 HE2 MET 60 1HE MET 60 -1.396 -3.936 -6.204 404 HE3 MET 60 2HE MET 60 -0.295 -4.773 -5.109 405 H LYS 61 H LYS 61 -6.557 -3.545 -7.702 406 HA LYS 61 HA LYS 61 -5.875 -1.579 -9.767 407 HB2 LYS 61 1HB LYS 61 -8.391 -3.152 -9.537 408 HB3 LYS 61 2HB LYS 61 -8.533 -1.458 -9.988 409 HG2 LYS 61 1HG LYS 61 -6.621 -3.237 -11.437 410 HG3 LYS 61 2HG LYS 61 -8.341 -3.267 -11.830 411 HD2 LYS 61 1HD LYS 61 -8.184 -0.749 -12.083 412 HD3 LYS 61 2HD LYS 61 -6.431 -0.947 -12.012 413 HE2 LYS 61 1HE LYS 61 -7.151 -0.864 -14.318 414 HE3 LYS 61 2HE LYS 61 -6.554 -2.479 -13.939 415 HZ1 LYS 61 3HZ LYS 61 -8.804 -3.260 -13.736 416 HZ2 LYS 61 1HZ LYS 61 -8.620 -2.502 -15.238 417 HZ3 LYS 61 2HZ LYS 61 -9.421 -1.704 -13.980 418 H HIS 62 H HIS 62 -6.529 0.538 -9.327 419 HA HIS 62 HA HIS 62 -7.278 1.000 -6.523 420 HB2 HIS 62 1HB HIS 62 -5.159 1.995 -7.076 421 HB3 HIS 62 2HB HIS 62 -5.833 2.751 -8.517 422 HD1 HIS 62 1HD HIS 62 -5.805 5.184 -8.070 423 HD2 HIS 62 2HD HIS 62 -7.138 3.020 -4.783 424 HE1 HIS 62 1HE HIS 62 -6.487 6.903 -6.365 425 H VAL 63 H VAL 63 -9.529 0.704 -6.908 426 HA VAL 63 HA VAL 63 -11.087 1.954 -8.815 427 HB VAL 63 HB VAL 63 -12.920 1.896 -7.014 428 HG11 VAL 63 1HG1 VAL 63 -13.359 -0.297 -7.525 429 HG12 VAL 63 2HG1 VAL 63 -12.174 0.094 -8.774 430 HG13 VAL 63 3HG1 VAL 63 -11.678 -0.793 -7.332 431 HG21 VAL 63 3HG2 VAL 63 -10.951 0.206 -5.509 432 HG22 VAL 63 1HG2 VAL 63 -11.127 1.928 -5.174 433 HG23 VAL 63 2HG2 VAL 63 -12.504 0.845 -4.971 434 H GLY 64 H GLY 64 -9.456 3.339 -6.122 435 HA2 GLY 64 1HA GLY 64 -9.081 5.719 -6.093 436 HA3 GLY 64 2HA GLY 64 -10.692 5.936 -6.761 437 H ASN 65 H ASN 65 -10.621 7.529 -4.882 438 HA ASN 65 HA ASN 65 -11.304 8.171 -2.806 439 HB2 ASN 65 1HB ASN 65 -12.988 5.786 -3.440 440 HB3 ASN 65 2HB ASN 65 -13.077 6.468 -1.819 441 HD21 ASN 65 1HD2 ASN 65 -15.126 6.367 -3.847 442 HD22 ASN 65 2HD2 ASN 65 -15.578 8.002 -4.175 443 H GLN 66 H GLN 66 -8.877 6.656 -2.922 444 HA GLN 66 HA GLN 66 -7.351 5.743 -1.504 445 HB2 GLN 66 1HB GLN 66 -9.374 6.069 0.705 446 HB3 GLN 66 2HB GLN 66 -7.621 6.030 0.841 447 HG2 GLN 66 1HG GLN 66 -8.118 8.270 1.095 448 HG3 GLN 66 2HG GLN 66 -7.675 8.153 -0.607 449 HE21 GLN 66 1HE2 GLN 66 -8.905 9.417 -1.786 450 HE22 GLN 66 2HE2 GLN 66 -10.604 9.663 -1.591 451 H GLN 67 H GLN 67 -9.495 4.138 -2.811 452 HA GLN 67 HA GLN 67 -9.413 1.794 -1.028 453 HB2 GLN 67 1HB GLN 67 -11.455 2.453 -3.158 454 HB3 GLN 67 2HB GLN 67 -11.443 0.998 -2.170 455 HG2 GLN 67 1HG GLN 67 -11.861 2.268 -0.185 456 HG3 GLN 67 2HG GLN 67 -11.681 3.785 -1.065 457 HE21 GLN 67 1HE2 GLN 67 -13.890 1.905 0.309 458 HE22 GLN 67 2HE2 GLN 67 -15.260 2.226 -0.693 459 H TYR 68 H TYR 68 -8.311 0.082 -1.720 460 HA TYR 68 HA TYR 68 -7.606 -0.054 -4.579 461 HB2 TYR 68 1HB TYR 68 -5.992 -0.810 -2.143 462 HB3 TYR 68 2HB TYR 68 -5.558 -1.316 -3.772 463 HD1 TYR 68 1HD TYR 68 -5.940 1.595 -1.539 464 HD2 TYR 68 2HD TYR 68 -4.540 0.202 -5.308 465 HE1 TYR 68 1HE TYR 68 -4.746 3.720 -1.874 466 HE2 TYR 68 2HE TYR 68 -3.341 2.322 -5.653 467 HH TYR 68 HH TYR 68 -2.690 4.244 -4.708 468 H ASN 69 H ASN 69 -8.668 -1.636 -5.557 469 HA ASN 69 HA ASN 69 -9.639 -3.921 -4.052 470 HB2 ASN 69 1HB ASN 69 -10.837 -2.554 -5.981 471 HB3 ASN 69 2HB ASN 69 -9.980 -3.697 -7.010 472 HD21 ASN 69 1HD2 ASN 69 -10.070 -5.896 -5.217 473 HD22 ASN 69 2HD2 ASN 69 -11.706 -6.450 -5.156 474 H VAL 70 H VAL 70 -8.418 -5.659 -3.783 475 HA VAL 70 HA VAL 70 -6.610 -6.463 -5.967 476 HB VAL 70 HB VAL 70 -6.063 -6.726 -3.007 477 HG11 VAL 70 1HG1 VAL 70 -4.884 -7.964 -5.385 478 HG12 VAL 70 2HG1 VAL 70 -3.713 -7.217 -4.297 479 HG13 VAL 70 3HG1 VAL 70 -4.813 -8.458 -3.694 480 HG21 VAL 70 3HG2 VAL 70 -5.450 -4.574 -3.250 481 HG22 VAL 70 1HG2 VAL 70 -4.023 -5.259 -4.028 482 HG23 VAL 70 2HG2 VAL 70 -5.373 -4.688 -5.009 483 H THR 71 H THR 71 -7.201 -8.342 -6.802 484 HA THR 71 HA THR 71 -8.426 -10.354 -5.029 485 HB THR 71 HB THR 71 -9.045 -10.386 -7.945 486 HG1 THR 71 1HG THR 71 -9.710 -8.343 -6.227 487 HG21 THR 71 3HG2 THR 71 -10.622 -11.029 -5.450 488 HG22 THR 71 1HG2 THR 71 -9.839 -12.192 -6.520 489 HG23 THR 71 2HG2 THR 71 -11.202 -11.235 -7.103 490 H TYR 72 H TYR 72 -7.876 -12.514 -5.367 491 HA TYR 72 HA TYR 72 -5.811 -13.088 -7.362 492 HB2 TYR 72 1HB TYR 72 -4.453 -14.283 -5.679 493 HB3 TYR 72 2HB TYR 72 -4.576 -12.562 -5.331 494 HD1 TYR 72 1HD TYR 72 -5.718 -15.918 -4.313 495 HD2 TYR 72 2HD TYR 72 -5.634 -11.777 -3.337 496 HE1 TYR 72 1HE TYR 72 -6.523 -16.442 -2.049 497 HE2 TYR 72 2HE TYR 72 -6.438 -12.290 -1.069 498 HH TYR 72 HH TYR 72 -7.428 -13.919 0.208 499 H VAL 73 H VAL 73 -5.282 -15.563 -7.217 500 HA VAL 73 HA VAL 73 -7.671 -17.126 -6.574 501 HB VAL 73 HB VAL 73 -6.338 -17.395 -9.264 502 HG11 VAL 73 1HG1 VAL 73 -8.843 -18.369 -9.526 503 HG12 VAL 73 2HG1 VAL 73 -7.445 -19.351 -9.086 504 HG13 VAL 73 3HG1 VAL 73 -8.528 -18.745 -7.832 505 HG21 VAL 73 3HG2 VAL 73 -7.287 -15.359 -9.633 506 HG22 VAL 73 1HG2 VAL 73 -8.702 -16.370 -9.927 507 HG23 VAL 73 2HG2 VAL 73 -8.498 -15.569 -8.368 508 H VAL 74 H VAL 74 -7.184 -19.033 -5.686 509 HA VAL 74 HA VAL 74 -4.421 -20.026 -5.969 510 HB VAL 74 HB VAL 74 -4.767 -21.086 -3.713 511 HG11 VAL 74 1HG1 VAL 74 -4.989 -18.089 -3.607 512 HG12 VAL 74 2HG1 VAL 74 -4.103 -19.160 -2.520 513 HG13 VAL 74 3HG1 VAL 74 -3.539 -18.917 -4.173 514 HG21 VAL 74 3HG2 VAL 74 -6.780 -21.046 -2.776 515 HG22 VAL 74 1HG2 VAL 74 -6.695 -19.286 -2.688 516 HG23 VAL 74 2HG2 VAL 74 -7.397 -20.065 -4.105 517 H LYS 75 H LYS 75 -4.363 -21.797 -7.172 518 HA LYS 75 HA LYS 75 -6.699 -23.510 -7.402 519 HB2 LYS 75 1HB LYS 75 -4.962 -22.725 -9.265 520 HB3 LYS 75 2HB LYS 75 -4.125 -24.181 -8.742 521 HG2 LYS 75 1HG LYS 75 -5.435 -24.892 -10.524 522 HG3 LYS 75 2HG LYS 75 -6.365 -25.369 -9.101 523 HD2 LYS 75 1HD LYS 75 -7.973 -23.761 -9.447 524 HD3 LYS 75 2HD LYS 75 -6.873 -22.698 -10.328 525 HE2 LYS 75 1HE LYS 75 -7.985 -25.307 -11.358 526 HE3 LYS 75 2HE LYS 75 -8.582 -23.704 -11.787 527 HZ1 LYS 75 3HZ LYS 75 -7.110 -24.479 -13.489 528 HZ2 LYS 75 1HZ LYS 75 -5.887 -24.805 -12.367 529 HZ3 LYS 75 2HZ LYS 75 -6.350 -23.208 -12.673 530 H GLU 76 H GLU 76 -4.952 -23.339 -4.938 531 HA GLU 76 HA GLU 76 -4.822 -26.198 -4.482 532 HB2 GLU 76 1HB GLU 76 -2.594 -25.743 -5.363 533 HB3 GLU 76 2HB GLU 76 -2.377 -24.444 -4.198 534 HG2 GLU 76 1HG GLU 76 -2.234 -25.935 -2.394 535 HG3 GLU 76 2HG GLU 76 -2.879 -27.273 -3.343 536 H ARG 77 H ARG 77 -4.232 -26.660 -2.152 537 HA ARG 77 HA ARG 77 -5.429 -24.579 -0.450 538 HB2 ARG 77 1HB ARG 77 -5.189 -27.451 0.374 539 HB3 ARG 77 2HB ARG 77 -6.354 -26.240 0.894 540 HG2 ARG 77 1HG ARG 77 -7.489 -26.359 -1.232 541 HG3 ARG 77 2HG ARG 77 -6.274 -27.480 -1.848 542 HD2 ARG 77 1HD ARG 77 -7.009 -29.218 -0.489 543 HD3 ARG 77 2HD ARG 77 -7.823 -28.125 0.630 544 HE ARG 77 HE ARG 77 -9.689 -28.257 -0.677 545 HH11 ARG 77 1HH1 ARG 77 -6.938 -29.287 -2.546 546 HH12 ARG 77 2HH1 ARG 77 -7.885 -29.786 -3.908 547 HH21 ARG 77 1HH2 ARG 77 -10.947 -28.910 -2.464 548 HH22 ARG 77 2HH2 ARG 77 -10.166 -29.570 -3.860 549 H GLY 78 H GLY 78 -4.724 -25.228 2.014 550 HA2 GLY 78 1HA GLY 78 -2.751 -25.930 3.303 551 HA3 GLY 78 2HA GLY 78 -1.770 -25.314 1.982 552 H ASP 79 H ASP 79 -0.966 -24.368 4.238 553 HA ASP 79 HA ASP 79 -2.398 -22.012 5.081 554 HB2 ASP 79 1HB ASP 79 0.445 -22.615 5.837 555 HB3 ASP 79 2HB ASP 79 -0.807 -21.814 6.782 556 H TYR 80 H TYR 80 -2.474 -20.432 3.583 557 HA TYR 80 HA TYR 80 -0.116 -19.769 2.019 558 HB2 TYR 80 1HB TYR 80 -2.984 -18.872 1.982 559 HB3 TYR 80 2HB TYR 80 -1.750 -17.976 1.103 560 HD1 TYR 80 1HD TYR 80 -3.354 -21.305 1.411 561 HD2 TYR 80 2HD TYR 80 -0.973 -18.725 -0.993 562 HE1 TYR 80 1HE TYR 80 -3.568 -22.873 -0.472 563 HE2 TYR 80 2HE TYR 80 -1.181 -20.285 -2.883 564 HH TYR 80 HH TYR 80 -3.426 -22.617 -3.105 565 H VAL 81 H VAL 81 0.846 -17.696 1.986 566 HA VAL 81 HA VAL 81 0.453 -16.162 4.474 567 HB VAL 81 HB VAL 81 2.996 -16.376 2.857 568 HG11 VAL 81 1HG1 VAL 81 2.256 -14.375 4.537 569 HG12 VAL 81 2HG1 VAL 81 3.078 -15.472 5.648 570 HG13 VAL 81 3HG1 VAL 81 3.924 -14.857 4.227 571 HG21 VAL 81 3HG2 VAL 81 2.681 -18.502 3.829 572 HG22 VAL 81 1HG2 VAL 81 3.789 -17.651 4.906 573 HG23 VAL 81 2HG2 VAL 81 2.087 -17.812 5.339 574 H LEU 82 H LEU 82 -0.644 -14.363 4.038 575 HA LEU 82 HA LEU 82 -0.334 -13.042 1.458 576 HB2 LEU 82 1HB LEU 82 -2.585 -13.322 2.189 577 HB3 LEU 82 2HB LEU 82 -2.220 -12.624 3.766 578 HG LEU 82 HG LEU 82 -1.802 -10.442 2.602 579 HD11 LEU 82 1HD1 LEU 82 -1.459 -10.675 0.391 580 HD12 LEU 82 2HD1 LEU 82 -3.216 -10.555 0.310 581 HD13 LEU 82 3HD1 LEU 82 -2.438 -12.138 0.282 582 HD21 LEU 82 3HD2 LEU 82 -4.587 -11.283 1.972 583 HD22 LEU 82 1HD2 LEU 82 -3.999 -9.829 2.780 584 HD23 LEU 82 2HD2 LEU 82 -4.035 -11.365 3.646 585 H ALA 83 H ALA 83 1.126 -11.499 1.201 586 HA ALA 83 HA ALA 83 1.917 -9.899 3.547 587 HB1 ALA 83 3HB ALA 83 3.560 -11.465 2.101 588 HB2 ALA 83 1HB ALA 83 3.716 -9.949 1.214 589 HB3 ALA 83 2HB ALA 83 4.086 -10.005 2.938 590 H VAL 84 H VAL 84 1.150 -7.900 3.505 591 HA VAL 84 HA VAL 84 0.851 -6.559 0.895 592 HB VAL 84 HB VAL 84 -0.849 -6.103 3.351 593 HG11 VAL 84 1HG1 VAL 84 -0.331 -4.319 1.395 594 HG12 VAL 84 2HG1 VAL 84 -1.717 -5.161 0.698 595 HG13 VAL 84 3HG1 VAL 84 -1.854 -4.392 2.280 596 HG21 VAL 84 3HG2 VAL 84 -2.329 -7.050 1.109 597 HG22 VAL 84 1HG2 VAL 84 -0.992 -8.159 1.413 598 HG23 VAL 84 2HG2 VAL 84 -2.141 -7.788 2.699 599 H LYS 85 H LYS 85 2.172 -4.895 0.643 600 HA LYS 85 HA LYS 85 3.242 -3.558 3.033 601 HB2 LYS 85 1HB LYS 85 4.312 -3.942 0.252 602 HB3 LYS 85 2HB LYS 85 4.938 -2.665 1.287 603 HG2 LYS 85 1HG LYS 85 5.392 -4.464 3.006 604 HG3 LYS 85 2HG LYS 85 5.053 -5.633 1.727 605 HD2 LYS 85 1HD LYS 85 7.379 -5.376 1.672 606 HD3 LYS 85 2HD LYS 85 6.800 -4.351 0.357 607 HE2 LYS 85 1HE LYS 85 7.153 -2.385 1.590 608 HE3 LYS 85 2HE LYS 85 7.283 -3.263 3.113 609 HZ1 LYS 85 3HZ LYS 85 9.351 -2.469 1.476 610 HZ2 LYS 85 1HZ LYS 85 9.251 -4.145 1.270 611 HZ3 LYS 85 2HZ LYS 85 9.454 -3.494 2.817 612 H TRP 86 H TRP 86 3.418 -1.267 3.067 613 HA TRP 86 HA TRP 86 1.769 0.161 1.101 614 HB2 TRP 86 1HB TRP 86 0.297 -0.168 2.972 615 HB3 TRP 86 2HB TRP 86 1.540 0.347 4.109 616 HD1 TRP 86 HD TRP 86 1.264 2.750 4.920 617 HE1 TRP 86 1HE TRP 86 0.135 4.886 4.031 618 HE3 TRP 86 3HE TRP 86 -0.342 0.997 0.394 619 HZ2 TRP 86 2HZ TRP 86 -1.253 5.717 1.718 620 HZ3 TRP 86 3HZ TRP 86 -1.563 2.526 -1.097 621 HH2 TRP 86 HH TRP 86 -2.009 4.837 -0.447 622 H GLY 87 H GLY 87 3.437 1.216 0.120 623 HA2 GLY 87 1HA GLY 87 5.165 2.703 -0.166 624 HA3 GLY 87 2HA GLY 87 4.412 3.584 1.155 625 H GLU 88 H GLU 88 6.527 0.778 0.577 626 HA GLU 88 HA GLU 88 8.350 -0.003 1.692 627 HB2 GLU 88 1HB GLU 88 8.488 2.938 2.289 628 HB3 GLU 88 2HB GLU 88 9.663 1.827 2.979 629 HG2 GLU 88 1HG GLU 88 9.924 1.049 0.491 630 HG3 GLU 88 2HG GLU 88 9.260 2.645 0.148 631 H GLU 89 H GLU 89 6.044 -0.619 2.942 632 HA GLU 89 HA GLU 89 6.891 -0.896 5.670 633 HB2 GLU 89 1HB GLU 89 4.429 0.737 5.036 634 HB3 GLU 89 2HB GLU 89 4.800 0.091 6.628 635 HG2 GLU 89 1HG GLU 89 7.019 1.370 6.394 636 HG3 GLU 89 2HG GLU 89 6.203 2.243 5.099 637 H HIS 90 H HIS 90 4.856 -1.906 6.941 638 HA HIS 90 HA HIS 90 3.520 -3.816 5.151 639 HB2 HIS 90 1HB HIS 90 5.216 -4.414 7.556 640 HB3 HIS 90 2HB HIS 90 3.916 -5.507 7.091 641 HD1 HIS 90 1HD HIS 90 4.627 -7.316 5.575 642 HD2 HIS 90 2HD HIS 90 7.045 -3.959 5.201 643 HE1 HIS 90 1HE HIS 90 6.405 -7.950 3.913 644 H ILE 91 H ILE 91 1.415 -3.471 5.378 645 HA ILE 91 HA ILE 91 0.076 -2.038 7.250 646 HB ILE 91 HB ILE 91 -1.952 -3.291 6.704 647 HG12 ILE 91 1HG1 ILE 91 -0.219 -5.164 5.094 648 HG13 ILE 91 2HG1 ILE 91 -0.749 -5.539 6.731 649 HG21 ILE 91 1HG2 ILE 91 -1.860 -3.027 4.234 650 HG22 ILE 91 2HG2 ILE 91 -1.240 -1.636 5.122 651 HG23 ILE 91 3HG2 ILE 91 -0.120 -2.771 4.369 652 HD11 ILE 91 3HD1 ILE 91 -2.589 -4.961 4.422 653 HD12 ILE 91 1HD1 ILE 91 -2.146 -6.572 4.988 654 HD13 ILE 91 2HD1 ILE 91 -3.051 -5.485 6.042 655 HA PRO 92 HA PRO 92 0.121 -4.172 11.090 656 HB2 PRO 92 1HB PRO 92 -2.268 -3.395 12.120 657 HB3 PRO 92 2HB PRO 92 -0.879 -2.309 11.988 658 HG2 PRO 92 1HG PRO 92 -3.263 -2.562 10.195 659 HG3 PRO 92 2HG PRO 92 -2.458 -1.097 10.785 660 HD2 PRO 92 1HD PRO 92 -2.041 -2.088 8.300 661 HD3 PRO 92 2HD PRO 92 -0.779 -1.234 9.212 662 H GLY 93 H GLY 93 0.026 -6.357 10.678 663 HA2 GLY 93 1HA GLY 93 -1.708 -8.075 11.544 664 HA3 GLY 93 2HA GLY 93 -2.614 -7.535 10.139 665 H SER 94 H SER 94 0.164 -7.215 8.813 666 HA SER 94 HA SER 94 0.225 -9.950 7.791 667 HB2 SER 94 1HB SER 94 0.194 -8.581 5.945 668 HB3 SER 94 2HB SER 94 1.073 -7.285 6.757 669 HG SER 94 HG SER 94 2.926 -8.172 6.204 670 HA PRO 95 HA PRO 95 1.761 -10.963 6.328 671 HB2 PRO 95 1HB PRO 95 2.595 -13.499 6.819 672 HB3 PRO 95 2HB PRO 95 3.635 -12.271 6.088 673 HG2 PRO 95 1HG PRO 95 3.511 -13.199 8.931 674 HG3 PRO 95 2HG PRO 95 4.932 -12.858 7.927 675 HD2 PRO 95 1HD PRO 95 3.991 -11.105 9.764 676 HD3 PRO 95 2HD PRO 95 4.777 -10.582 8.261 677 H PHE 96 H PHE 96 -0.233 -11.798 6.109 678 HA PHE 96 HA PHE 96 -1.687 -12.552 8.496 679 HB2 PHE 96 1HB PHE 96 -2.448 -11.978 5.650 680 HB3 PHE 96 2HB PHE 96 -3.587 -12.782 6.725 681 HD1 PHE 96 1HD PHE 96 -4.564 -11.612 8.607 682 HD2 PHE 96 2HD PHE 96 -1.842 -9.668 5.974 683 HE1 PHE 96 1HE PHE 96 -5.256 -9.429 9.508 684 HE2 PHE 96 2HE PHE 96 -2.530 -7.483 6.871 685 HZ PHE 96 HZ PHE 96 -4.238 -7.361 8.641 686 H HIS 97 H HIS 97 -3.026 -14.487 8.577 687 HA HIS 97 HA HIS 97 -1.697 -16.758 7.258 688 HB2 HIS 97 1HB HIS 97 -1.556 -16.769 9.712 689 HB3 HIS 97 2HB HIS 97 -3.312 -16.703 9.817 690 HD1 HIS 97 1HD HIS 97 -3.540 -18.951 11.004 691 HD2 HIS 97 2HD HIS 97 -1.566 -19.197 7.357 692 HE1 HIS 97 1HE HIS 97 -3.382 -21.407 10.490 693 H VAL 98 H VAL 98 -2.828 -17.145 5.435 694 HA VAL 98 HA VAL 98 -5.758 -17.235 5.583 695 HB VAL 98 HB VAL 98 -3.907 -17.162 3.199 696 HG11 VAL 98 1HG1 VAL 98 -6.923 -17.236 3.247 697 HG12 VAL 98 2HG1 VAL 98 -5.906 -17.063 1.815 698 HG13 VAL 98 3HG1 VAL 98 -5.871 -18.560 2.747 699 HG21 VAL 98 3HG2 VAL 98 -5.714 -15.156 4.508 700 HG22 VAL 98 1HG2 VAL 98 -4.008 -15.003 4.089 701 HG23 VAL 98 2HG2 VAL 98 -5.232 -14.998 2.819 702 H THR 99 H THR 99 -6.459 -19.184 6.194 703 HA THR 99 HA THR 99 -5.060 -21.591 5.330 704 HB THR 99 HB THR 99 -7.435 -21.273 7.177 705 HG1 THR 99 1HG THR 99 -4.642 -21.526 7.591 706 HG21 THR 99 3HG2 THR 99 -5.709 -23.717 6.918 707 HG22 THR 99 1HG2 THR 99 -7.131 -23.490 5.900 708 HG23 THR 99 2HG2 THR 99 -7.304 -23.560 7.654 709 H VAL 100 H VAL 100 -5.829 -23.047 3.890 710 HA VAL 100 HA VAL 100 -8.359 -22.371 2.542 711 HB VAL 100 HB VAL 100 -6.098 -24.016 1.406 712 HG11 VAL 100 1HG1 VAL 100 -7.403 -23.048 -0.716 713 HG12 VAL 100 2HG1 VAL 100 -7.838 -24.571 0.061 714 HG13 VAL 100 3HG1 VAL 100 -8.739 -23.101 0.434 715 HG21 VAL 100 3HG2 VAL 100 -6.705 -21.103 0.908 716 HG22 VAL 100 1HG2 VAL 100 -5.368 -21.709 1.885 717 HG23 VAL 100 2HG2 VAL 100 -5.424 -22.054 0.156 718 HA PRO 101 HA PRO 101 -9.879 -26.167 4.309 719 HB2 PRO 101 1HB PRO 101 -12.324 -26.061 3.132 720 HB3 PRO 101 2HB PRO 101 -11.888 -25.075 4.533 721 HG2 PRO 101 1HG PRO 101 -11.954 -24.325 1.636 722 HG3 PRO 101 2HG PRO 101 -12.519 -23.405 3.042 723 HD2 PRO 101 1HD PRO 101 -10.146 -22.910 1.836 724 HD3 PRO 101 2HD PRO 101 -10.398 -22.679 3.578 Start of MODEL 20 1 H1 GLY 1 H GLY 1 14.081 24.859 -0.889 2 HA2 GLY 1 1HA GLY 1 11.291 24.014 -0.472 3 HA3 GLY 1 2HA GLY 1 12.622 22.947 -0.897 4 H SER 2 H SER 2 11.567 25.141 1.699 5 HA SER 2 HA SER 2 13.228 24.304 3.721 6 HB2 SER 2 1HB SER 2 11.477 26.160 3.780 7 HB3 SER 2 2HB SER 2 10.304 24.904 4.176 8 HG SER 2 HG SER 2 10.953 25.198 6.148 9 H SER 3 H SER 3 13.476 22.512 4.895 10 HA SER 3 HA SER 3 12.259 20.096 4.209 11 HB2 SER 3 1HB SER 3 13.779 20.936 6.680 12 HB3 SER 3 2HB SER 3 13.227 19.281 6.419 13 HG SER 3 HG SER 3 15.310 20.644 5.264 14 H GLY 4 H GLY 4 10.045 20.109 4.255 15 HA2 GLY 4 1HA GLY 4 8.775 20.657 6.862 16 HA3 GLY 4 2HA GLY 4 7.965 20.794 5.309 17 H SER 5 H SER 5 6.294 19.411 5.941 18 HA SER 5 HA SER 5 6.413 16.974 7.161 19 HB2 SER 5 1HB SER 5 4.384 18.304 6.175 20 HB3 SER 5 2HB SER 5 4.639 17.283 4.760 21 HG SER 5 HG SER 5 4.556 16.048 7.261 22 H SER 6 H SER 6 7.083 17.690 3.772 23 HA SER 6 HA SER 6 7.978 16.449 2.084 24 HB2 SER 6 1HB SER 6 9.396 15.422 4.523 25 HB3 SER 6 2HB SER 6 9.725 14.711 2.943 26 HG SER 6 HG SER 6 9.753 17.490 3.123 27 H GLY 7 H GLY 7 5.451 15.631 2.679 28 HA2 GLY 7 1HA GLY 7 4.089 13.881 2.005 29 HA3 GLY 7 2HA GLY 7 5.524 12.890 1.790 30 H SER 8 H SER 8 2.829 12.521 3.172 31 HA SER 8 HA SER 8 3.947 11.355 5.623 32 HB2 SER 8 1HB SER 8 1.465 13.068 5.431 33 HB3 SER 8 2HB SER 8 1.809 12.021 6.807 34 HG SER 8 HG SER 8 2.656 13.951 7.364 35 H SER 9 H SER 9 3.467 9.273 5.797 36 HA SER 9 HA SER 9 0.908 8.247 4.905 37 HB2 SER 9 1HB SER 9 1.737 6.675 3.326 38 HB3 SER 9 2HB SER 9 2.483 8.215 2.899 39 HG SER 9 HG SER 9 3.629 5.953 4.112 40 H ASP 10 H ASP 10 0.229 6.972 6.481 41 HA ASP 10 HA ASP 10 2.227 5.483 8.053 42 HB2 ASP 10 1HB ASP 10 -0.269 6.915 8.808 43 HB3 ASP 10 2HB ASP 10 0.113 5.438 9.689 44 H ALA 11 H ALA 11 1.984 3.319 8.355 45 HA ALA 11 HA ALA 11 0.003 1.996 6.670 46 HB1 ALA 11 3HB ALA 11 2.401 1.367 6.528 47 HB2 ALA 11 1HB ALA 11 2.301 0.765 8.183 48 HB3 ALA 11 2HB ALA 11 1.336 0.014 6.911 49 H SER 12 H SER 12 0.960 2.262 10.046 50 HA SER 12 HA SER 12 -0.583 0.211 11.132 51 HB2 SER 12 1HB SER 12 0.208 2.882 12.312 52 HB3 SER 12 2HB SER 12 -0.525 1.574 13.240 53 HG SER 12 HG SER 12 1.460 0.926 13.467 54 H LYS 13 H LYS 13 -1.515 3.278 9.851 55 HA LYS 13 HA LYS 13 -4.114 3.286 11.124 56 HB2 LYS 13 1HB LYS 13 -3.015 5.039 8.919 57 HB3 LYS 13 2HB LYS 13 -4.518 5.310 9.791 58 HG2 LYS 13 1HG LYS 13 -1.762 5.323 11.004 59 HG3 LYS 13 2HG LYS 13 -2.722 6.748 10.603 60 HD2 LYS 13 1HD LYS 13 -4.470 5.958 12.169 61 HD3 LYS 13 2HD LYS 13 -3.420 4.612 12.618 62 HE2 LYS 13 1HE LYS 13 -1.693 6.309 13.278 63 HE3 LYS 13 2HE LYS 13 -2.915 7.555 13.028 64 HZ1 LYS 13 3HZ LYS 13 -4.188 5.804 14.631 65 HZ2 LYS 13 1HZ LYS 13 -3.390 7.196 15.166 66 HZ3 LYS 13 2HZ LYS 13 -2.602 5.700 15.210 67 H VAL 14 H VAL 14 -2.689 2.085 8.232 68 HA VAL 14 HA VAL 14 -5.013 1.996 6.606 69 HB VAL 14 HB VAL 14 -2.472 0.369 6.508 70 HG11 VAL 14 1HG1 VAL 14 -3.525 0.249 3.999 71 HG12 VAL 14 2HG1 VAL 14 -3.656 -1.027 5.211 72 HG13 VAL 14 3HG1 VAL 14 -4.972 0.129 4.999 73 HG21 VAL 14 3HG2 VAL 14 -2.173 1.848 4.426 74 HG22 VAL 14 1HG2 VAL 14 -3.429 2.860 5.141 75 HG23 VAL 14 2HG2 VAL 14 -1.919 2.582 6.009 76 H THR 15 H THR 15 -6.456 0.340 6.212 77 HA THR 15 HA THR 15 -6.339 -1.986 8.010 78 HB THR 15 HB THR 15 -8.843 -1.841 8.218 79 HG1 THR 15 1HG THR 15 -8.744 -0.112 6.390 80 HG21 THR 15 3HG2 THR 15 -6.969 -0.835 9.817 81 HG22 THR 15 1HG2 THR 15 -8.688 -0.632 10.149 82 HG23 THR 15 2HG2 THR 15 -7.777 0.673 9.388 83 H SER 16 H SER 16 -7.650 -3.813 7.290 84 HA SER 16 HA SER 16 -8.243 -3.794 4.412 85 HB2 SER 16 1HB SER 16 -7.231 -6.083 4.254 86 HB3 SER 16 2HB SER 16 -6.059 -4.809 4.587 87 HG SER 16 HG SER 16 -5.720 -5.607 6.528 88 H LYS 17 H LYS 17 -9.979 -5.005 3.784 89 HA LYS 17 HA LYS 17 -11.389 -6.512 5.885 90 HB2 LYS 17 1HB LYS 17 -13.509 -5.724 4.622 91 HB3 LYS 17 2HB LYS 17 -12.716 -4.606 5.724 92 HG2 LYS 17 1HG LYS 17 -11.642 -3.487 3.866 93 HG3 LYS 17 2HG LYS 17 -12.342 -4.647 2.736 94 HD2 LYS 17 1HD LYS 17 -14.187 -3.166 4.536 95 HD3 LYS 17 2HD LYS 17 -13.456 -2.283 3.193 96 HE2 LYS 17 1HE LYS 17 -15.309 -3.074 2.135 97 HE3 LYS 17 2HE LYS 17 -14.228 -4.438 1.853 98 HZ1 LYS 17 3HZ LYS 17 -15.263 -5.157 4.172 99 HZ2 LYS 17 1HZ LYS 17 -15.981 -5.559 2.694 100 HZ3 LYS 17 2HZ LYS 17 -16.561 -4.245 3.586 101 H GLY 18 H GLY 18 -13.184 -7.914 4.843 102 HA2 GLY 18 1HA GLY 18 -13.846 -9.130 2.835 103 HA3 GLY 18 2HA GLY 18 -12.166 -9.068 2.322 104 H ALA 19 H ALA 19 -12.835 -11.452 2.087 105 HA ALA 19 HA ALA 19 -12.462 -12.882 4.628 106 HB1 ALA 19 3HB ALA 19 -13.209 -14.882 3.240 107 HB2 ALA 19 1HB ALA 19 -14.422 -13.651 3.592 108 HB3 ALA 19 2HB ALA 19 -13.660 -13.711 2.002 109 H GLY 20 H GLY 20 -11.206 -12.569 1.345 110 HA2 GLY 20 1HA GLY 20 -9.406 -14.612 1.167 111 HA3 GLY 20 2HA GLY 20 -9.091 -13.002 0.535 112 H LEU 21 H LEU 21 -9.194 -11.828 3.258 113 HA LEU 21 HA LEU 21 -6.419 -12.165 3.882 114 HB2 LEU 21 1HB LEU 21 -8.525 -10.685 5.448 115 HB3 LEU 21 2HB LEU 21 -6.778 -10.486 5.572 116 HG LEU 21 HG LEU 21 -8.085 -9.944 2.951 117 HD11 LEU 21 1HD1 LEU 21 -9.548 -8.781 4.471 118 HD12 LEU 21 2HD1 LEU 21 -8.505 -7.615 3.658 119 HD13 LEU 21 3HD1 LEU 21 -8.169 -8.087 5.323 120 HD21 LEU 21 3HD2 LEU 21 -5.548 -9.873 3.638 121 HD22 LEU 21 1HD2 LEU 21 -5.987 -8.279 4.253 122 HD23 LEU 21 2HD2 LEU 21 -6.229 -8.663 2.549 123 H SER 22 H SER 22 -9.450 -13.298 5.213 124 HA SER 22 HA SER 22 -8.184 -14.392 7.581 125 HB2 SER 22 1HB SER 22 -10.569 -13.426 7.453 126 HB3 SER 22 2HB SER 22 -11.007 -14.952 6.685 127 HG SER 22 HG SER 22 -10.584 -14.412 9.296 128 H LYS 23 H LYS 23 -10.017 -15.727 4.829 129 HA LYS 23 HA LYS 23 -8.231 -18.003 4.711 130 HB2 LYS 23 1HB LYS 23 -10.056 -19.661 4.887 131 HB3 LYS 23 2HB LYS 23 -9.809 -18.771 6.384 132 HG2 LYS 23 1HG LYS 23 -11.706 -17.266 5.633 133 HG3 LYS 23 2HG LYS 23 -12.034 -18.477 4.392 134 HD2 LYS 23 1HD LYS 23 -11.932 -20.101 6.490 135 HD3 LYS 23 2HD LYS 23 -12.389 -18.622 7.339 136 HE2 LYS 23 1HE LYS 23 -14.151 -18.473 5.371 137 HE3 LYS 23 2HE LYS 23 -13.901 -20.217 5.334 138 HZ1 LYS 23 3HZ LYS 23 -15.625 -18.929 6.962 139 HZ2 LYS 23 1HZ LYS 23 -14.293 -19.157 7.980 140 HZ3 LYS 23 2HZ LYS 23 -15.021 -20.486 7.229 141 H ALA 24 H ALA 24 -8.233 -19.022 2.724 142 HA ALA 24 HA ALA 24 -9.897 -17.737 0.661 143 HB1 ALA 24 3HB ALA 24 -7.630 -17.257 0.213 144 HB2 ALA 24 1HB ALA 24 -7.136 -18.921 0.524 145 HB3 ALA 24 2HB ALA 24 -8.084 -18.536 -0.913 146 H PHE 25 H PHE 25 -10.358 -19.143 -1.259 147 HA PHE 25 HA PHE 25 -10.730 -21.958 -0.496 148 HB2 PHE 25 1HB PHE 25 -12.798 -20.255 -1.901 149 HB3 PHE 25 2HB PHE 25 -12.968 -21.950 -1.456 150 HD1 PHE 25 1HD PHE 25 -12.451 -22.370 1.157 151 HD2 PHE 25 2HD PHE 25 -13.860 -18.740 -0.561 152 HE1 PHE 25 1HE PHE 25 -13.384 -21.706 3.335 153 HE2 PHE 25 2HE PHE 25 -14.794 -18.070 1.614 154 HZ PHE 25 HZ PHE 25 -14.556 -19.553 3.566 155 H VAL 26 H VAL 26 -9.827 -23.272 -1.924 156 HA VAL 26 HA VAL 26 -8.484 -22.596 -4.194 157 HB VAL 26 HB VAL 26 -9.975 -25.187 -3.750 158 HG11 VAL 26 1HG1 VAL 26 -9.170 -25.906 -5.691 159 HG12 VAL 26 2HG1 VAL 26 -8.585 -24.274 -6.018 160 HG13 VAL 26 3HG1 VAL 26 -7.533 -25.446 -5.224 161 HG21 VAL 26 3HG2 VAL 26 -7.057 -24.769 -3.244 162 HG22 VAL 26 1HG2 VAL 26 -8.243 -24.313 -2.021 163 HG23 VAL 26 2HG2 VAL 26 -8.147 -25.984 -2.576 164 H GLY 27 H GLY 27 -8.908 -22.346 -6.350 165 HA2 GLY 27 1HA GLY 27 -10.134 -22.125 -8.295 166 HA3 GLY 27 2HA GLY 27 -11.459 -22.965 -7.504 167 H GLN 28 H GLN 28 -12.100 -21.377 -5.420 168 HA GLN 28 HA GLN 28 -13.711 -19.419 -6.524 169 HB2 GLN 28 1HB GLN 28 -12.591 -19.512 -3.717 170 HB3 GLN 28 2HB GLN 28 -13.972 -18.553 -4.232 171 HG2 GLN 28 1HG GLN 28 -14.078 -21.461 -4.760 172 HG3 GLN 28 2HG GLN 28 -14.217 -20.936 -3.083 173 HE21 GLN 28 1HE2 GLN 28 -16.280 -21.038 -2.556 174 HE22 GLN 28 2HE2 GLN 28 -17.596 -20.407 -3.481 175 H LYS 29 H LYS 29 -13.621 -17.036 -5.963 176 HA LYS 29 HA LYS 29 -10.920 -16.033 -6.567 177 HB2 LYS 29 1HB LYS 29 -13.056 -15.662 -8.093 178 HB3 LYS 29 2HB LYS 29 -13.354 -14.351 -6.959 179 HG2 LYS 29 1HG LYS 29 -11.241 -13.338 -7.494 180 HG3 LYS 29 2HG LYS 29 -10.801 -14.708 -8.515 181 HD2 LYS 29 1HD LYS 29 -12.936 -14.144 -9.834 182 HD3 LYS 29 2HD LYS 29 -12.880 -12.595 -8.989 183 HE2 LYS 29 1HE LYS 29 -11.779 -12.331 -11.095 184 HE3 LYS 29 2HE LYS 29 -10.550 -12.304 -9.831 185 HZ1 LYS 29 3HZ LYS 29 -10.528 -13.881 -12.051 186 HZ2 LYS 29 1HZ LYS 29 -11.036 -14.940 -10.833 187 HZ3 LYS 29 2HZ LYS 29 -9.576 -14.102 -10.670 188 H SER 30 H SER 30 -10.041 -15.610 -4.604 189 HA SER 30 HA SER 30 -11.544 -14.403 -2.476 190 HB2 SER 30 1HB SER 30 -8.654 -15.158 -2.842 191 HB3 SER 30 2HB SER 30 -9.176 -14.220 -1.443 192 HG SER 30 HG SER 30 -10.860 -16.093 -1.422 193 H SER 31 H SER 31 -11.890 -12.312 -2.156 194 HA SER 31 HA SER 31 -10.066 -10.369 -3.409 195 HB2 SER 31 1HB SER 31 -11.798 -9.112 -4.275 196 HB3 SER 31 2HB SER 31 -12.488 -10.729 -4.417 197 HG SER 31 HG SER 31 -14.058 -9.760 -3.357 198 H PHE 32 H PHE 32 -9.746 -8.417 -2.299 199 HA PHE 32 HA PHE 32 -10.999 -8.020 0.281 200 HB2 PHE 32 1HB PHE 32 -8.862 -7.943 1.511 201 HB3 PHE 32 2HB PHE 32 -9.186 -9.548 0.862 202 HD1 PHE 32 1HD PHE 32 -7.132 -6.523 0.511 203 HD2 PHE 32 2HD PHE 32 -7.781 -10.520 -0.802 204 HE1 PHE 32 1HE PHE 32 -4.935 -6.512 -0.597 205 HE2 PHE 32 2HE PHE 32 -5.585 -10.516 -1.911 206 HZ PHE 32 HZ PHE 32 -4.158 -8.511 -1.809 207 H LEU 33 H LEU 33 -11.080 -5.908 0.845 208 HA LEU 33 HA LEU 33 -9.804 -4.010 -0.994 209 HB2 LEU 33 1HB LEU 33 -12.334 -4.080 -0.555 210 HB3 LEU 33 2HB LEU 33 -11.946 -3.348 1.000 211 HG LEU 33 HG LEU 33 -12.684 -1.839 -0.966 212 HD11 LEU 33 1HD1 LEU 33 -10.279 -1.298 0.760 213 HD12 LEU 33 2HD1 LEU 33 -11.964 -0.899 1.095 214 HD13 LEU 33 3HD1 LEU 33 -11.099 -0.060 -0.193 215 HD21 LEU 33 3HD2 LEU 33 -11.139 -1.247 -2.577 216 HD22 LEU 33 1HD2 LEU 33 -10.867 -2.983 -2.430 217 HD23 LEU 33 2HD2 LEU 33 -9.772 -1.850 -1.639 218 H VAL 34 H VAL 34 -8.456 -2.416 -0.298 219 HA VAL 34 HA VAL 34 -7.806 -2.386 2.578 220 HB VAL 34 HB VAL 34 -5.845 -1.878 0.340 221 HG11 VAL 34 1HG1 VAL 34 -5.529 -2.210 3.319 222 HG12 VAL 34 2HG1 VAL 34 -4.185 -2.189 2.176 223 HG13 VAL 34 3HG1 VAL 34 -5.208 -0.765 2.361 224 HG21 VAL 34 3HG2 VAL 34 -5.115 -4.210 1.682 225 HG22 VAL 34 1HG2 VAL 34 -6.849 -4.367 1.401 226 HG23 VAL 34 2HG2 VAL 34 -5.758 -4.084 0.045 227 H ASP 35 H ASP 35 -8.383 -0.525 3.466 228 HA ASP 35 HA ASP 35 -8.725 1.855 1.850 229 HB2 ASP 35 1HB ASP 35 -10.381 1.273 3.584 230 HB3 ASP 35 2HB ASP 35 -9.136 1.441 4.819 231 H CYS 36 H CYS 36 -7.400 3.572 1.769 232 HA CYS 36 HA CYS 36 -5.121 3.647 3.631 233 HB2 CYS 36 1HB CYS 36 -5.013 4.369 0.696 234 HB3 CYS 36 2HB CYS 36 -3.666 4.370 1.827 235 HG CYS 36 HG CYS 36 -5.383 1.554 0.912 236 H SER 37 H SER 37 -7.836 5.090 3.190 237 HA SER 37 HA SER 37 -7.269 7.781 2.566 238 HB2 SER 37 1HB SER 37 -9.557 6.514 2.790 239 HB3 SER 37 2HB SER 37 -9.466 7.044 4.469 240 HG SER 37 HG SER 37 -9.856 9.028 3.865 241 H LYS 38 H LYS 38 -8.097 6.467 5.776 242 HA LYS 38 HA LYS 38 -7.295 8.644 7.276 243 HB2 LYS 38 1HB LYS 38 -7.027 7.008 9.159 244 HB3 LYS 38 2HB LYS 38 -8.562 6.897 8.308 245 HG2 LYS 38 1HG LYS 38 -7.399 5.043 6.935 246 HG3 LYS 38 2HG LYS 38 -6.242 5.014 8.267 247 HD2 LYS 38 1HD LYS 38 -7.745 3.443 8.995 248 HD3 LYS 38 2HD LYS 38 -8.431 4.896 9.726 249 HE2 LYS 38 1HE LYS 38 -9.842 5.085 7.608 250 HE3 LYS 38 2HE LYS 38 -9.335 3.433 7.261 251 HZ1 LYS 38 3HZ LYS 38 -10.987 2.763 8.553 252 HZ2 LYS 38 1HZ LYS 38 -11.341 4.344 9.039 253 HZ3 LYS 38 2HZ LYS 38 -10.192 3.436 9.885 254 H ALA 39 H ALA 39 -5.366 6.143 5.815 255 HA ALA 39 HA ALA 39 -3.011 6.363 7.289 256 HB1 ALA 39 3HB ALA 39 -2.157 5.899 4.704 257 HB2 ALA 39 1HB ALA 39 -2.620 4.676 5.888 258 HB3 ALA 39 2HB ALA 39 -3.804 5.267 4.721 259 H GLY 40 H GLY 40 -3.695 7.926 4.146 260 HA2 GLY 40 1HA GLY 40 -3.164 10.499 4.562 261 HA3 GLY 40 2HA GLY 40 -1.542 9.828 4.640 262 H SER 41 H SER 41 -0.598 8.957 2.766 263 HA SER 41 HA SER 41 -1.978 8.894 0.267 264 HB2 SER 41 1HB SER 41 -1.742 11.313 0.426 265 HB3 SER 41 2HB SER 41 -0.016 11.150 0.749 266 HG SER 41 HG SER 41 -0.214 11.578 -1.406 267 H ASN 42 H ASN 42 -1.105 7.140 -0.597 268 HA ASN 42 HA ASN 42 1.641 6.975 -1.262 269 HB2 ASN 42 1HB ASN 42 1.419 6.357 1.303 270 HB3 ASN 42 2HB ASN 42 0.918 4.799 0.654 271 HD21 ASN 42 1HD2 ASN 42 3.506 6.695 1.554 272 HD22 ASN 42 2HD2 ASN 42 4.775 5.778 0.822 273 H MET 43 H MET 43 2.149 4.587 -1.991 274 HA MET 43 HA MET 43 -0.171 3.724 -3.570 275 HB2 MET 43 1HB MET 43 1.425 2.718 -5.103 276 HB3 MET 43 2HB MET 43 1.832 4.408 -4.834 277 HG2 MET 43 1HG MET 43 3.683 3.872 -3.511 278 HG3 MET 43 2HG MET 43 3.141 2.211 -3.275 279 HE1 MET 43 3HE MET 43 2.482 0.854 -5.354 280 HE2 MET 43 1HE MET 43 3.512 0.696 -6.777 281 HE3 MET 43 2HE MET 43 4.086 0.135 -5.207 282 H LEU 44 H LEU 44 -0.935 1.665 -3.487 283 HA LEU 44 HA LEU 44 0.064 0.001 -1.306 284 HB2 LEU 44 1HB LEU 44 -2.388 0.618 -1.644 285 HB3 LEU 44 2HB LEU 44 -2.369 -0.518 -2.992 286 HG LEU 44 HG LEU 44 -1.556 -2.234 -1.242 287 HD11 LEU 44 1HD1 LEU 44 -2.613 -1.655 1.023 288 HD12 LEU 44 2HD1 LEU 44 -2.514 0.021 0.484 289 HD13 LEU 44 3HD1 LEU 44 -1.046 -0.946 0.630 290 HD21 LEU 44 3HD2 LEU 44 -4.377 -1.259 -0.903 291 HD22 LEU 44 1HD2 LEU 44 -3.770 -2.913 -0.844 292 HD23 LEU 44 2HD2 LEU 44 -3.824 -2.048 -2.381 293 H LEU 45 H LEU 45 1.456 -1.571 -1.718 294 HA LEU 45 HA LEU 45 1.371 -2.872 -4.361 295 HB2 LEU 45 1HB LEU 45 3.707 -3.128 -4.330 296 HB3 LEU 45 2HB LEU 45 3.396 -1.461 -3.849 297 HG LEU 45 HG LEU 45 3.577 -2.557 -1.423 298 HD11 LEU 45 1HD1 LEU 45 5.805 -4.075 -2.508 299 HD12 LEU 45 2HD1 LEU 45 4.237 -4.718 -2.995 300 HD13 LEU 45 3HD1 LEU 45 4.616 -4.522 -1.284 301 HD21 LEU 45 3HD2 LEU 45 4.884 -0.675 -2.186 302 HD22 LEU 45 1HD2 LEU 45 5.884 -1.733 -3.182 303 HD23 LEU 45 2HD2 LEU 45 5.947 -1.860 -1.424 304 H ILE 46 H ILE 46 1.877 -5.124 -4.437 305 HA ILE 46 HA ILE 46 1.475 -6.509 -1.866 306 HB ILE 46 HB ILE 46 0.480 -7.400 -4.575 307 HG12 ILE 46 1HG1 ILE 46 -0.814 -5.514 -3.717 308 HG13 ILE 46 2HG1 ILE 46 -1.765 -6.993 -3.637 309 HG21 ILE 46 1HG2 ILE 46 0.974 -9.338 -3.335 310 HG22 ILE 46 2HG2 ILE 46 0.344 -8.641 -1.843 311 HG23 ILE 46 3HG2 ILE 46 -0.761 -9.090 -3.142 312 HD11 ILE 46 3HD1 ILE 46 -0.506 -6.858 -1.175 313 HD12 ILE 46 1HD1 ILE 46 -0.966 -5.193 -1.530 314 HD13 ILE 46 2HD1 ILE 46 -2.188 -6.465 -1.529 315 H GLY 47 H GLY 47 2.525 -8.523 -1.586 316 HA2 GLY 47 1HA GLY 47 4.599 -9.165 -3.575 317 HA3 GLY 47 2HA GLY 47 5.048 -8.933 -1.892 318 H VAL 48 H VAL 48 2.381 -10.658 -3.511 319 HA VAL 48 HA VAL 48 2.006 -12.692 -1.751 320 HB VAL 48 HB VAL 48 1.427 -14.140 -3.769 321 HG11 VAL 48 1HG1 VAL 48 0.130 -11.422 -3.691 322 HG12 VAL 48 2HG1 VAL 48 -0.603 -12.949 -4.186 323 HG13 VAL 48 3HG1 VAL 48 -0.160 -12.687 -2.498 324 HG21 VAL 48 3HG2 VAL 48 2.999 -13.013 -5.320 325 HG22 VAL 48 1HG2 VAL 48 1.345 -13.076 -5.930 326 HG23 VAL 48 2HG2 VAL 48 1.980 -11.575 -5.257 327 H HIS 49 H HIS 49 3.106 -14.400 -1.024 328 HA HIS 49 HA HIS 49 5.636 -15.079 -2.366 329 HB2 HIS 49 1HB HIS 49 5.452 -14.256 0.139 330 HB3 HIS 49 2HB HIS 49 5.042 -15.943 0.432 331 HD1 HIS 49 1HD HIS 49 7.869 -13.746 -0.677 332 HD2 HIS 49 2HD HIS 49 7.157 -17.741 0.215 333 HE1 HIS 49 1HE HIS 49 10.138 -14.824 -0.559 334 H GLY 50 H GLY 50 6.225 -17.271 -2.615 335 HA2 GLY 50 1HA GLY 50 3.913 -19.109 -2.566 336 HA3 GLY 50 2HA GLY 50 5.209 -19.181 -3.751 337 HA PRO 51 HA PRO 51 7.190 -20.762 0.356 338 HB2 PRO 51 1HB PRO 51 5.556 -21.002 2.511 339 HB3 PRO 51 2HB PRO 51 6.458 -19.525 2.149 340 HG2 PRO 51 1HG PRO 51 3.589 -20.177 1.595 341 HG3 PRO 51 2HG PRO 51 4.295 -18.673 2.216 342 HD2 PRO 51 1HD PRO 51 3.571 -18.981 -0.375 343 HD3 PRO 51 2HD PRO 51 4.938 -17.961 0.120 344 H THR 52 H THR 52 3.885 -21.618 -0.428 345 HA THR 52 HA THR 52 4.615 -24.460 -0.165 346 HB THR 52 HB THR 52 2.201 -24.907 0.403 347 HG1 THR 52 1HG THR 52 2.207 -22.079 0.780 348 HG21 THR 52 3HG2 THR 52 4.057 -24.841 2.083 349 HG22 THR 52 1HG2 THR 52 2.468 -24.455 2.742 350 HG23 THR 52 2HG2 THR 52 3.624 -23.164 2.414 351 H THR 53 H THR 53 2.533 -22.073 -1.741 352 HA THR 53 HA THR 53 2.778 -23.445 -4.258 353 HB THR 53 HB THR 53 0.048 -23.249 -2.970 354 HG1 THR 53 1HG THR 53 1.879 -25.328 -3.384 355 HG21 THR 53 3HG2 THR 53 0.270 -24.737 -5.462 356 HG22 THR 53 1HG2 THR 53 0.663 -23.030 -5.656 357 HG23 THR 53 2HG2 THR 53 -0.897 -23.504 -4.984 358 HA PRO 54 HA PRO 54 2.500 -19.170 -5.406 359 HB2 PRO 54 1HB PRO 54 2.637 -19.552 -8.090 360 HB3 PRO 54 2HB PRO 54 4.045 -19.674 -7.030 361 HG2 PRO 54 1HG PRO 54 2.336 -21.853 -8.166 362 HG3 PRO 54 2HG PRO 54 4.101 -21.776 -8.021 363 HD2 PRO 54 1HD PRO 54 2.557 -23.171 -6.289 364 HD3 PRO 54 2HD PRO 54 4.072 -22.386 -5.799 365 H CYS 55 H CYS 55 0.964 -17.753 -6.198 366 HA CYS 55 HA CYS 55 -1.698 -18.826 -6.492 367 HB2 CYS 55 1HB CYS 55 -0.559 -16.046 -6.329 368 HB3 CYS 55 2HB CYS 55 -2.243 -16.313 -6.762 369 HG CYS 55 HG CYS 55 -1.889 -18.097 -4.144 370 H GLU 56 H GLU 56 -3.111 -18.353 -8.263 371 HA GLU 56 HA GLU 56 -1.976 -18.859 -10.784 372 HB2 GLU 56 1HB GLU 56 -4.691 -18.153 -9.784 373 HB3 GLU 56 2HB GLU 56 -4.385 -17.981 -11.506 374 HG2 GLU 56 1HG GLU 56 -3.866 -20.511 -9.968 375 HG3 GLU 56 2HG GLU 56 -5.375 -20.165 -10.812 376 H GLU 57 H GLU 57 -3.174 -15.875 -9.304 377 HA GLU 57 HA GLU 57 -1.404 -14.237 -10.774 378 HB2 GLU 57 1HB GLU 57 -2.915 -13.083 -12.245 379 HB3 GLU 57 2HB GLU 57 -3.015 -14.804 -12.588 380 HG2 GLU 57 1HG GLU 57 -5.035 -14.812 -11.021 381 HG3 GLU 57 2HG GLU 57 -5.002 -13.057 -11.186 382 H VAL 58 H VAL 58 -2.125 -11.831 -10.557 383 HA VAL 58 HA VAL 58 -3.660 -11.409 -8.096 384 HB VAL 58 HB VAL 58 -0.912 -10.240 -8.552 385 HG11 VAL 58 1HG1 VAL 58 -3.090 -9.673 -6.639 386 HG12 VAL 58 2HG1 VAL 58 -1.457 -9.745 -5.974 387 HG13 VAL 58 3HG1 VAL 58 -1.831 -8.614 -7.275 388 HG21 VAL 58 3HG2 VAL 58 -0.153 -12.149 -7.690 389 HG22 VAL 58 1HG2 VAL 58 -0.925 -11.678 -6.176 390 HG23 VAL 58 2HG2 VAL 58 -1.784 -12.709 -7.321 391 H SER 59 H SER 59 -5.281 -10.201 -8.879 392 HA SER 59 HA SER 59 -4.718 -8.095 -10.822 393 HB2 SER 59 1HB SER 59 -7.164 -9.544 -9.923 394 HB3 SER 59 2HB SER 59 -7.361 -7.905 -10.544 395 HG SER 59 HG SER 59 -7.449 -9.727 -12.103 396 H MET 60 H MET 60 -4.015 -6.254 -9.947 397 HA MET 60 HA MET 60 -5.356 -5.266 -7.517 398 HB2 MET 60 1HB MET 60 -2.648 -4.396 -8.521 399 HB3 MET 60 2HB MET 60 -3.360 -4.091 -6.942 400 HG2 MET 60 1HG MET 60 -2.974 -6.241 -6.203 401 HG3 MET 60 2HG MET 60 -2.870 -6.894 -7.836 402 HE1 MET 60 3HE MET 60 -1.388 -3.630 -6.825 403 HE2 MET 60 1HE MET 60 -0.726 -4.348 -5.356 404 HE3 MET 60 2HE MET 60 0.350 -3.894 -6.677 405 H LYS 61 H LYS 61 -6.681 -3.609 -7.806 406 HA LYS 61 HA LYS 61 -6.056 -1.624 -9.876 407 HB2 LYS 61 1HB LYS 61 -8.566 -3.216 -9.566 408 HB3 LYS 61 2HB LYS 61 -8.683 -1.555 -10.132 409 HG2 LYS 61 1HG LYS 61 -6.935 -3.636 -11.420 410 HG3 LYS 61 2HG LYS 61 -8.586 -3.279 -11.932 411 HD2 LYS 61 1HD LYS 61 -6.674 -1.015 -11.683 412 HD3 LYS 61 2HD LYS 61 -6.491 -2.110 -13.055 413 HE2 LYS 61 1HE LYS 61 -7.907 -0.447 -13.864 414 HE3 LYS 61 2HE LYS 61 -9.009 -1.748 -13.416 415 HZ1 LYS 61 3HZ LYS 61 -9.578 0.620 -12.693 416 HZ2 LYS 61 1HZ LYS 61 -8.376 0.423 -11.520 417 HZ3 LYS 61 2HZ LYS 61 -9.715 -0.609 -11.539 418 H HIS 62 H HIS 62 -6.340 0.444 -9.258 419 HA HIS 62 HA HIS 62 -7.186 0.918 -6.512 420 HB2 HIS 62 1HB HIS 62 -5.123 1.970 -7.140 421 HB3 HIS 62 2HB HIS 62 -5.858 2.683 -8.573 422 HD1 HIS 62 1HD HIS 62 -6.114 5.109 -8.240 423 HD2 HIS 62 2HD HIS 62 -6.828 2.998 -4.734 424 HE1 HIS 62 1HE HIS 62 -6.733 6.842 -6.526 425 H VAL 63 H VAL 63 -9.449 0.461 -6.963 426 HA VAL 63 HA VAL 63 -11.101 1.699 -8.763 427 HB VAL 63 HB VAL 63 -12.863 1.595 -6.872 428 HG11 VAL 63 1HG1 VAL 63 -13.334 -0.292 -7.939 429 HG12 VAL 63 2HG1 VAL 63 -11.679 -0.369 -8.547 430 HG13 VAL 63 3HG1 VAL 63 -12.091 -1.130 -7.011 431 HG21 VAL 63 3HG2 VAL 63 -10.878 1.543 -5.167 432 HG22 VAL 63 1HG2 VAL 63 -12.337 0.600 -4.864 433 HG23 VAL 63 2HG2 VAL 63 -10.896 -0.187 -5.507 434 H GLY 64 H GLY 64 -9.411 3.144 -6.150 435 HA2 GLY 64 1HA GLY 64 -9.120 5.523 -6.088 436 HA3 GLY 64 2HA GLY 64 -10.738 5.700 -6.749 437 H ASN 65 H ASN 65 -10.743 7.290 -4.887 438 HA ASN 65 HA ASN 65 -11.435 7.916 -2.809 439 HB2 ASN 65 1HB ASN 65 -13.004 5.419 -3.354 440 HB3 ASN 65 2HB ASN 65 -13.154 6.222 -1.794 441 HD21 ASN 65 1HD2 ASN 65 -13.130 8.817 -2.340 442 HD22 ASN 65 2HD2 ASN 65 -14.437 9.255 -3.382 443 H GLN 66 H GLN 66 -8.955 6.461 -2.951 444 HA GLN 66 HA GLN 66 -7.383 5.613 -1.542 445 HB2 GLN 66 1HB GLN 66 -9.450 6.071 0.615 446 HB3 GLN 66 2HB GLN 66 -7.729 5.811 0.863 447 HG2 GLN 66 1HG GLN 66 -8.821 8.123 -0.713 448 HG3 GLN 66 2HG GLN 66 -8.535 8.189 1.025 449 HE21 GLN 66 1HE2 GLN 66 -7.094 9.953 0.397 450 HE22 GLN 66 2HE2 GLN 66 -5.476 9.575 -0.077 451 H GLN 67 H GLN 67 -9.467 3.921 -2.800 452 HA GLN 67 HA GLN 67 -9.317 1.618 -0.967 453 HB2 GLN 67 1HB GLN 67 -11.393 2.164 -3.097 454 HB3 GLN 67 2HB GLN 67 -11.339 0.748 -2.055 455 HG2 GLN 67 1HG GLN 67 -11.781 2.075 -0.117 456 HG3 GLN 67 2HG GLN 67 -11.631 3.566 -1.046 457 HE21 GLN 67 1HE2 GLN 67 -13.851 3.196 0.421 458 HE22 GLN 67 2HE2 GLN 67 -15.211 2.877 -0.596 459 H TYR 68 H TYR 68 -8.344 -0.188 -1.674 460 HA TYR 68 HA TYR 68 -7.560 -0.294 -4.513 461 HB2 TYR 68 1HB TYR 68 -6.003 -1.109 -2.058 462 HB3 TYR 68 2HB TYR 68 -5.547 -1.592 -3.687 463 HD1 TYR 68 1HD TYR 68 -5.948 1.294 -1.419 464 HD2 TYR 68 2HD TYR 68 -4.456 -0.072 -5.163 465 HE1 TYR 68 1HE TYR 68 -4.717 3.405 -1.692 466 HE2 TYR 68 2HE TYR 68 -3.220 2.036 -5.445 467 HH TYR 68 HH TYR 68 -3.332 4.579 -2.965 468 H ASN 69 H ASN 69 -8.594 -1.864 -5.536 469 HA ASN 69 HA ASN 69 -9.654 -4.135 -4.066 470 HB2 ASN 69 1HB ASN 69 -10.778 -2.739 -6.018 471 HB3 ASN 69 2HB ASN 69 -9.910 -3.888 -7.032 472 HD21 ASN 69 1HD2 ASN 69 -10.144 -5.955 -4.906 473 HD22 ASN 69 2HD2 ASN 69 -11.765 -6.539 -5.030 474 H VAL 70 H VAL 70 -8.403 -5.842 -3.730 475 HA VAL 70 HA VAL 70 -6.591 -6.700 -5.892 476 HB VAL 70 HB VAL 70 -6.080 -6.921 -2.921 477 HG11 VAL 70 1HG1 VAL 70 -4.947 -8.742 -3.669 478 HG12 VAL 70 2HG1 VAL 70 -4.780 -8.106 -5.307 479 HG13 VAL 70 3HG1 VAL 70 -3.728 -7.517 -4.018 480 HG21 VAL 70 3HG2 VAL 70 -5.843 -4.648 -4.185 481 HG22 VAL 70 1HG2 VAL 70 -4.571 -5.184 -3.086 482 HG23 VAL 70 2HG2 VAL 70 -4.372 -5.380 -4.827 483 H THR 71 H THR 71 -7.286 -8.543 -6.732 484 HA THR 71 HA THR 71 -8.415 -10.578 -4.924 485 HB THR 71 HB THR 71 -9.285 -10.503 -7.778 486 HG1 THR 71 1HG THR 71 -10.013 -8.662 -5.773 487 HG21 THR 71 3HG2 THR 71 -10.711 -11.202 -5.208 488 HG22 THR 71 1HG2 THR 71 -9.923 -12.357 -6.282 489 HG23 THR 71 2HG2 THR 71 -11.325 -11.446 -6.843 490 H TYR 72 H TYR 72 -7.694 -12.636 -5.164 491 HA TYR 72 HA TYR 72 -5.883 -13.200 -7.413 492 HB2 TYR 72 1HB TYR 72 -4.423 -14.462 -5.851 493 HB3 TYR 72 2HB TYR 72 -4.483 -12.740 -5.489 494 HD1 TYR 72 1HD TYR 72 -5.498 -16.086 -4.367 495 HD2 TYR 72 2HD TYR 72 -5.484 -11.932 -3.447 496 HE1 TYR 72 1HE TYR 72 -6.138 -16.603 -2.049 497 HE2 TYR 72 2HE TYR 72 -6.123 -12.437 -1.127 498 HH TYR 72 HH TYR 72 -7.220 -14.233 0.130 499 H VAL 73 H VAL 73 -5.354 -15.676 -7.383 500 HA VAL 73 HA VAL 73 -7.706 -17.247 -6.622 501 HB VAL 73 HB VAL 73 -6.549 -17.179 -9.411 502 HG11 VAL 73 1HG1 VAL 73 -7.614 -19.370 -8.076 503 HG12 VAL 73 2HG1 VAL 73 -8.942 -18.764 -9.068 504 HG13 VAL 73 3HG1 VAL 73 -7.404 -19.193 -9.818 505 HG21 VAL 73 3HG2 VAL 73 -8.802 -15.873 -8.139 506 HG22 VAL 73 1HG2 VAL 73 -8.081 -15.591 -9.724 507 HG23 VAL 73 2HG2 VAL 73 -9.299 -16.850 -9.521 508 H VAL 74 H VAL 74 -7.159 -19.133 -5.739 509 HA VAL 74 HA VAL 74 -4.391 -20.074 -6.088 510 HB VAL 74 HB VAL 74 -4.824 -21.368 -3.963 511 HG11 VAL 74 1HG1 VAL 74 -3.536 -19.269 -4.039 512 HG12 VAL 74 2HG1 VAL 74 -5.024 -18.366 -3.749 513 HG13 VAL 74 3HG1 VAL 74 -4.407 -19.470 -2.519 514 HG21 VAL 74 3HG2 VAL 74 -6.844 -21.396 -3.037 515 HG22 VAL 74 1HG2 VAL 74 -6.867 -19.635 -2.954 516 HG23 VAL 74 2HG2 VAL 74 -7.450 -20.457 -4.401 517 H LYS 75 H LYS 75 -3.986 -22.079 -6.841 518 HA LYS 75 HA LYS 75 -6.256 -23.615 -7.833 519 HB2 LYS 75 1HB LYS 75 -4.007 -22.992 -9.087 520 HB3 LYS 75 2HB LYS 75 -3.427 -24.450 -8.292 521 HG2 LYS 75 1HG LYS 75 -4.166 -25.103 -10.432 522 HG3 LYS 75 2HG LYS 75 -5.401 -25.648 -9.295 523 HD2 LYS 75 1HD LYS 75 -6.662 -24.701 -10.995 524 HD3 LYS 75 2HD LYS 75 -6.540 -23.381 -9.829 525 HE2 LYS 75 1HE LYS 75 -4.786 -22.346 -11.101 526 HE3 LYS 75 2HE LYS 75 -4.700 -23.728 -12.192 527 HZ1 LYS 75 3HZ LYS 75 -5.925 -22.015 -13.263 528 HZ2 LYS 75 1HZ LYS 75 -6.934 -21.795 -11.924 529 HZ3 LYS 75 2HZ LYS 75 -7.032 -23.219 -12.831 530 H GLU 76 H GLU 76 -3.759 -23.769 -5.419 531 HA GLU 76 HA GLU 76 -4.699 -26.456 -4.656 532 HB2 GLU 76 1HB GLU 76 -2.311 -26.335 -5.379 533 HB3 GLU 76 2HB GLU 76 -2.005 -25.230 -4.047 534 HG2 GLU 76 1HG GLU 76 -2.210 -26.868 -2.455 535 HG3 GLU 76 2HG GLU 76 -3.231 -27.881 -3.475 536 H ARG 77 H ARG 77 -4.453 -26.907 -2.276 537 HA ARG 77 HA ARG 77 -5.373 -24.557 -0.769 538 HB2 ARG 77 1HB ARG 77 -6.330 -26.239 0.815 539 HB3 ARG 77 2HB ARG 77 -7.018 -26.301 -0.802 540 HG2 ARG 77 1HG ARG 77 -5.876 -28.283 -1.330 541 HG3 ARG 77 2HG ARG 77 -4.786 -28.116 0.047 542 HD2 ARG 77 1HD ARG 77 -6.677 -28.462 1.571 543 HD3 ARG 77 2HD ARG 77 -7.752 -28.647 0.186 544 HE ARG 77 HE ARG 77 -6.025 -30.627 1.285 545 HH11 ARG 77 1HH1 ARG 77 -7.425 -29.485 -1.691 546 HH12 ARG 77 2HH1 ARG 77 -7.348 -31.030 -2.472 547 HH21 ARG 77 1HH2 ARG 77 -5.919 -32.666 0.268 548 HH22 ARG 77 2HH2 ARG 77 -6.493 -32.839 -1.356 549 H GLY 78 H GLY 78 -4.954 -25.009 1.743 550 HA2 GLY 78 1HA GLY 78 -3.210 -26.057 3.206 551 HA3 GLY 78 2HA GLY 78 -2.060 -25.562 1.973 552 H ASP 79 H ASP 79 -1.030 -24.527 3.869 553 HA ASP 79 HA ASP 79 -2.339 -22.168 4.927 554 HB2 ASP 79 1HB ASP 79 -0.164 -21.887 6.170 555 HB3 ASP 79 2HB ASP 79 -1.011 -23.398 6.489 556 H TYR 80 H TYR 80 -2.398 -20.373 3.757 557 HA TYR 80 HA TYR 80 -0.170 -19.782 1.936 558 HB2 TYR 80 1HB TYR 80 -3.063 -18.991 1.977 559 HB3 TYR 80 2HB TYR 80 -1.894 -18.010 1.100 560 HD1 TYR 80 1HD TYR 80 -3.540 -21.296 1.263 561 HD2 TYR 80 2HD TYR 80 -0.907 -18.791 -0.949 562 HE1 TYR 80 1HE TYR 80 -3.713 -22.821 -0.659 563 HE2 TYR 80 2HE TYR 80 -1.074 -20.308 -2.878 564 HH TYR 80 HH TYR 80 -3.421 -22.614 -3.205 565 H VAL 81 H VAL 81 0.762 -17.703 1.884 566 HA VAL 81 HA VAL 81 0.352 -16.128 4.343 567 HB VAL 81 HB VAL 81 2.933 -16.466 2.809 568 HG11 VAL 81 1HG1 VAL 81 2.432 -14.265 4.045 569 HG12 VAL 81 2HG1 VAL 81 2.633 -15.217 5.517 570 HG13 VAL 81 3HG1 VAL 81 3.964 -15.076 4.368 571 HG21 VAL 81 3HG2 VAL 81 1.743 -17.920 5.077 572 HG22 VAL 81 1HG2 VAL 81 2.952 -18.438 3.902 573 HG23 VAL 81 2HG2 VAL 81 3.429 -17.444 5.278 574 H LEU 82 H LEU 82 -0.468 -14.185 3.974 575 HA LEU 82 HA LEU 82 -0.148 -12.979 1.320 576 HB2 LEU 82 1HB LEU 82 -2.429 -13.223 2.047 577 HB3 LEU 82 2HB LEU 82 -2.072 -12.402 3.565 578 HG LEU 82 HG LEU 82 -1.608 -10.331 2.242 579 HD11 LEU 82 1HD1 LEU 82 -2.329 -12.180 0.035 580 HD12 LEU 82 2HD1 LEU 82 -1.156 -10.863 0.076 581 HD13 LEU 82 3HD1 LEU 82 -2.877 -10.507 -0.072 582 HD21 LEU 82 3HD2 LEU 82 -3.827 -9.688 2.222 583 HD22 LEU 82 1HD2 LEU 82 -3.853 -11.067 3.320 584 HD23 LEU 82 2HD2 LEU 82 -4.387 -11.260 1.651 585 H ALA 83 H ALA 83 1.106 -11.257 1.017 586 HA ALA 83 HA ALA 83 2.077 -9.812 3.396 587 HB1 ALA 83 3HB ALA 83 3.535 -10.000 0.773 588 HB2 ALA 83 1HB ALA 83 4.158 -9.472 2.336 589 HB3 ALA 83 2HB ALA 83 3.755 -11.169 2.074 590 H VAL 84 H VAL 84 1.214 -7.858 3.577 591 HA VAL 84 HA VAL 84 0.654 -6.333 1.116 592 HB VAL 84 HB VAL 84 -0.833 -6.155 3.740 593 HG11 VAL 84 1HG1 VAL 84 -2.106 -4.462 2.858 594 HG12 VAL 84 2HG1 VAL 84 -0.542 -4.106 2.122 595 HG13 VAL 84 3HG1 VAL 84 -1.787 -4.941 1.192 596 HG21 VAL 84 3HG2 VAL 84 -2.039 -7.091 1.171 597 HG22 VAL 84 1HG2 VAL 84 -1.129 -8.218 2.178 598 HG23 VAL 84 2HG2 VAL 84 -2.551 -7.403 2.830 599 H LYS 85 H LYS 85 1.957 -4.653 0.877 600 HA LYS 85 HA LYS 85 3.081 -3.379 3.282 601 HB2 LYS 85 1HB LYS 85 4.147 -3.696 0.486 602 HB3 LYS 85 2HB LYS 85 4.794 -2.481 1.581 603 HG2 LYS 85 1HG LYS 85 5.278 -4.311 3.205 604 HG3 LYS 85 2HG LYS 85 4.805 -5.466 1.957 605 HD2 LYS 85 1HD LYS 85 7.089 -5.382 1.658 606 HD3 LYS 85 2HD LYS 85 6.543 -4.163 0.503 607 HE2 LYS 85 1HE LYS 85 7.311 -2.417 1.776 608 HE3 LYS 85 2HE LYS 85 7.160 -3.312 3.288 609 HZ1 LYS 85 3HZ LYS 85 9.044 -4.687 1.869 610 HZ2 LYS 85 1HZ LYS 85 9.342 -3.616 3.144 611 HZ3 LYS 85 2HZ LYS 85 9.409 -3.067 1.545 612 H TRP 86 H TRP 86 3.233 -1.096 3.358 613 HA TRP 86 HA TRP 86 1.558 0.342 1.415 614 HB2 TRP 86 1HB TRP 86 0.174 -0.006 3.372 615 HB3 TRP 86 2HB TRP 86 1.451 0.592 4.428 616 HD1 TRP 86 HD TRP 86 1.050 2.987 5.200 617 HE1 TRP 86 1HE TRP 86 -0.152 5.062 4.264 618 HE3 TRP 86 3HE TRP 86 -0.500 1.074 0.720 619 HZ2 TRP 86 2HZ TRP 86 -1.571 5.791 1.935 620 HZ3 TRP 86 3HZ TRP 86 -1.775 2.526 -0.804 621 HH2 TRP 86 HH TRP 86 -2.299 4.834 -0.207 622 H GLY 87 H GLY 87 3.296 1.282 0.383 623 HA2 GLY 87 1HA GLY 87 4.989 2.791 0.028 624 HA3 GLY 87 2HA GLY 87 4.288 3.688 1.367 625 H GLU 88 H GLU 88 6.419 0.929 0.675 626 HA GLU 88 HA GLU 88 8.262 0.127 1.741 627 HB2 GLU 88 1HB GLU 88 8.428 3.035 2.527 628 HB3 GLU 88 2HB GLU 88 9.685 1.866 2.909 629 HG2 GLU 88 1HG GLU 88 9.567 1.397 0.324 630 HG3 GLU 88 2HG GLU 88 8.905 3.030 0.290 631 H GLU 89 H GLU 89 5.854 -0.316 3.065 632 HA GLU 89 HA GLU 89 6.824 -0.684 5.768 633 HB2 GLU 89 1HB GLU 89 4.312 0.901 5.207 634 HB3 GLU 89 2HB GLU 89 4.779 0.295 6.790 635 HG2 GLU 89 1HG GLU 89 6.905 1.632 6.536 636 HG3 GLU 89 2HG GLU 89 6.151 2.389 5.134 637 H HIS 90 H HIS 90 4.888 -1.756 7.086 638 HA HIS 90 HA HIS 90 3.495 -3.650 5.321 639 HB2 HIS 90 1HB HIS 90 5.283 -4.259 7.655 640 HB3 HIS 90 2HB HIS 90 3.980 -5.361 7.222 641 HD1 HIS 90 1HD HIS 90 4.635 -7.130 5.631 642 HD2 HIS 90 2HD HIS 90 7.044 -3.764 5.269 643 HE1 HIS 90 1HE HIS 90 6.365 -7.723 3.905 644 H ILE 91 H ILE 91 1.397 -3.316 5.626 645 HA ILE 91 HA ILE 91 0.128 -1.934 7.593 646 HB ILE 91 HB ILE 91 -1.924 -3.109 7.044 647 HG12 ILE 91 1HG1 ILE 91 -0.290 -5.030 5.388 648 HG13 ILE 91 2HG1 ILE 91 -0.784 -5.394 7.038 649 HG21 ILE 91 1HG2 ILE 91 -0.057 -2.174 4.977 650 HG22 ILE 91 2HG2 ILE 91 -1.422 -3.118 4.385 651 HG23 ILE 91 3HG2 ILE 91 -1.705 -1.661 5.336 652 HD11 ILE 91 3HD1 ILE 91 -3.108 -5.247 6.411 653 HD12 ILE 91 1HD1 ILE 91 -2.662 -4.769 4.773 654 HD13 ILE 91 2HD1 ILE 91 -2.268 -6.386 5.359 655 HA PRO 92 HA PRO 92 0.314 -4.225 11.338 656 HB2 PRO 92 1HB PRO 92 -1.999 -3.422 12.512 657 HB3 PRO 92 2HB PRO 92 -0.585 -2.372 12.358 658 HG2 PRO 92 1HG PRO 92 -3.056 -2.482 10.671 659 HG3 PRO 92 2HG PRO 92 -2.179 -1.066 11.281 660 HD2 PRO 92 1HD PRO 92 -1.909 -1.964 8.741 661 HD3 PRO 92 2HD PRO 92 -0.580 -1.186 9.625 662 H GLY 93 H GLY 93 0.122 -6.359 10.530 663 HA2 GLY 93 1HA GLY 93 -1.649 -8.067 11.516 664 HA3 GLY 93 2HA GLY 93 -2.560 -7.444 10.148 665 H SER 94 H SER 94 0.251 -7.171 8.833 666 HA SER 94 HA SER 94 0.205 -9.874 7.710 667 HB2 SER 94 1HB SER 94 0.160 -8.494 5.883 668 HB3 SER 94 2HB SER 94 1.018 -7.194 6.710 669 HG SER 94 HG SER 94 2.858 -7.979 6.037 670 HA PRO 95 HA PRO 95 1.706 -10.834 6.149 671 HB2 PRO 95 1HB PRO 95 2.533 -13.394 6.512 672 HB3 PRO 95 2HB PRO 95 3.563 -12.142 5.807 673 HG2 PRO 95 1HG PRO 95 3.503 -13.189 8.611 674 HG3 PRO 95 2HG PRO 95 4.901 -12.814 7.586 675 HD2 PRO 95 1HD PRO 95 4.019 -11.135 9.519 676 HD3 PRO 95 2HD PRO 95 4.770 -10.553 8.019 677 H PHE 96 H PHE 96 -0.295 -11.660 5.938 678 HA PHE 96 HA PHE 96 -1.729 -12.445 8.316 679 HB2 PHE 96 1HB PHE 96 -2.458 -11.822 5.489 680 HB3 PHE 96 2HB PHE 96 -3.585 -12.771 6.453 681 HD1 PHE 96 1HD PHE 96 -4.627 -11.804 8.451 682 HD2 PHE 96 2HD PHE 96 -2.118 -9.499 5.899 683 HE1 PHE 96 1HE PHE 96 -5.504 -9.738 9.460 684 HE2 PHE 96 2HE PHE 96 -2.991 -7.430 6.904 685 HZ PHE 96 HZ PHE 96 -4.685 -7.547 8.688 686 H HIS 97 H HIS 97 -2.754 -14.424 8.673 687 HA HIS 97 HA HIS 97 -1.518 -16.677 7.259 688 HB2 HIS 97 1HB HIS 97 -1.224 -16.649 9.688 689 HB3 HIS 97 2HB HIS 97 -2.970 -16.588 9.913 690 HD1 HIS 97 1HD HIS 97 -3.038 -18.808 11.196 691 HD2 HIS 97 2HD HIS 97 -1.444 -19.133 7.373 692 HE1 HIS 97 1HE HIS 97 -2.917 -21.276 10.726 693 H VAL 98 H VAL 98 -2.763 -17.028 5.482 694 HA VAL 98 HA VAL 98 -5.666 -17.199 5.786 695 HB VAL 98 HB VAL 98 -3.897 -17.210 3.343 696 HG11 VAL 98 1HG1 VAL 98 -6.588 -16.909 2.590 697 HG12 VAL 98 2HG1 VAL 98 -5.507 -18.255 2.224 698 HG13 VAL 98 3HG1 VAL 98 -6.525 -18.306 3.664 699 HG21 VAL 98 3HG2 VAL 98 -5.194 -15.125 2.845 700 HG22 VAL 98 1HG2 VAL 98 -5.886 -15.243 4.463 701 HG23 VAL 98 2HG2 VAL 98 -4.148 -15.020 4.261 702 H THR 99 H THR 99 -6.687 -19.076 5.991 703 HA THR 99 HA THR 99 -5.202 -21.547 5.397 704 HB THR 99 HB THR 99 -7.557 -21.180 7.258 705 HG1 THR 99 1HG THR 99 -6.116 -20.875 8.791 706 HG21 THR 99 3HG2 THR 99 -6.546 -23.497 6.023 707 HG22 THR 99 1HG2 THR 99 -7.715 -23.402 7.339 708 HG23 THR 99 2HG2 THR 99 -5.994 -23.548 7.697 709 H VAL 100 H VAL 100 -5.858 -22.740 3.738 710 HA VAL 100 HA VAL 100 -8.523 -22.233 2.608 711 HB VAL 100 HB VAL 100 -6.094 -23.495 1.330 712 HG11 VAL 100 1HG1 VAL 100 -8.003 -22.737 -0.597 713 HG12 VAL 100 2HG1 VAL 100 -7.474 -24.367 -0.175 714 HG13 VAL 100 3HG1 VAL 100 -8.865 -23.651 0.640 715 HG21 VAL 100 3HG2 VAL 100 -7.353 -20.956 0.406 716 HG22 VAL 100 1HG2 VAL 100 -6.288 -20.922 1.812 717 HG23 VAL 100 2HG2 VAL 100 -5.683 -21.504 0.260 718 HA PRO 101 HA PRO 101 -9.661 -26.225 4.235 719 HB2 PRO 101 1HB PRO 101 -12.187 -26.213 3.241 720 HB3 PRO 101 2HB PRO 101 -11.713 -25.291 4.673 721 HG2 PRO 101 1HG PRO 101 -12.041 -24.363 1.846 722 HG3 PRO 101 2HG PRO 101 -12.558 -23.576 3.348 723 HD2 PRO 101 1HD PRO 101 -10.318 -22.843 2.016 724 HD3 PRO 101 2HD PRO 101 -10.454 -22.742 3.783
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