NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555442 | 2m26 | 18901 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 24.987 -4.172 -4.734 2 HA2 GLY 1 1HA GLY 1 24.131 -3.509 -2.497 3 HA3 GLY 1 2HA GLY 1 24.565 -5.229 -2.633 4 H CYS 2 H CYS 2 25.425 -2.162 -1.037 5 HA CYS 2 HA CYS 2 27.628 -3.600 0.350 6 HB3 CYS 2 2HB CYS 2 28.616 -1.381 0.726 7 HG CYS 2 HG CYS 2 29.945 -1.153 -1.260 8 H LEU 3 H LEU 3 24.909 -1.230 0.702 9 HA LEU 3 HA LEU 3 25.235 -1.121 3.529 10 HB3 LEU 3 2HB LEU 3 22.558 -0.646 3.297 11 HG LEU 3 HG LEU 3 24.724 0.892 3.846 12 HD11 LEU 3 1HD1 LEU 3 23.562 2.116 1.316 13 HD12 LEU 3 2HD1 LEU 3 25.130 1.296 1.357 14 HD13 LEU 3 3HD1 LEU 3 24.867 2.776 2.307 15 HD21 LEU 3 3HD2 LEU 3 21.930 1.885 3.210 16 HD22 LEU 3 1HD2 LEU 3 23.167 2.803 4.096 17 HD23 LEU 3 2HD2 LEU 3 22.540 1.301 4.782 18 HA PRO 4 HA PRO 4 23.903 -4.951 4.910 19 HB3 PRO 4 2HB PRO 4 24.611 -4.290 7.007 20 HG3 PRO 4 2HG PRO 4 24.121 -2.104 7.830 21 HD3 PRO 4 2HD PRO 4 25.213 -1.897 5.746 22 H GLY 5 H GLY 5 21.465 -2.534 4.499 23 HA2 GLY 5 1HA GLY 5 19.228 -4.480 4.629 24 HA3 GLY 5 2HA GLY 5 19.244 -3.029 5.644 25 H PHE 6 H PHE 6 17.301 -2.541 4.499 26 HA PHE 6 HA PHE 6 17.550 -1.447 1.738 27 HB3 PHE 6 2HB PHE 6 14.944 -1.132 2.346 28 HD1 PHE 6 2HD PHE 6 16.416 -4.585 2.646 29 HD2 PHE 6 1HD PHE 6 14.407 -1.699 0.124 30 HE1 PHE 6 2HE PHE 6 16.166 -6.287 0.862 31 HE2 PHE 6 1HE PHE 6 14.225 -3.411 -1.643 32 HZ PHE 6 HZ PHE 6 15.048 -5.697 -1.286 33 HA PRO 7 HA PRO 7 18.069 2.536 3.524 34 HB3 PRO 7 2HB PRO 7 17.893 3.443 1.425 35 HG3 PRO 7 2HG PRO 7 16.089 2.827 -0.034 36 HD3 PRO 7 2HD PRO 7 17.384 0.871 0.584 37 H GLY 8 H GLY 8 15.383 0.865 4.446 38 HA2 GLY 8 1HA GLY 8 14.234 1.364 6.490 39 HA3 GLY 8 2HA GLY 8 14.196 3.083 6.029 40 H ALA 9 H ALA 9 11.822 2.734 6.342 41 HA ALA 9 HA ALA 9 10.444 1.496 4.006 42 HB1 ALA 9 1HB ALA 9 8.785 0.643 5.537 43 HB2 ALA 9 2HB ALA 9 10.341 0.125 6.133 44 HB3 ALA 9 3HB ALA 9 9.511 1.499 6.908 45 HA PRO 10 HA PRO 10 8.431 5.424 3.756 46 HB3 PRO 10 2HB PRO 10 7.033 4.742 2.105 47 HG3 PRO 10 2HG PRO 10 6.257 2.537 1.982 48 HD3 PRO 10 2HD PRO 10 8.560 2.320 2.390 49 H CYS 11 H CYS 11 7.209 6.924 4.847 50 HA CYS 11 HA CYS 11 6.036 6.274 7.477 51 HB3 CYS 11 2HB CYS 11 7.307 8.307 8.365 52 HG CYS 11 HG CYS 11 9.447 6.047 7.239 53 H ALA 12 H ALA 12 5.356 8.700 8.265 54 HA ALA 12 HA ALA 12 3.647 10.105 8.222 55 HB1 ALA 12 1HB ALA 12 4.737 11.238 5.679 56 HB2 ALA 12 2HB ALA 12 4.068 12.070 7.061 57 HB3 ALA 12 3HB ALA 12 5.671 11.318 7.198 58 H ILE 13 H ILE 13 2.927 7.613 6.825 59 HA ILE 13 HA ILE 13 1.439 8.123 4.489 60 HB ILE 13 HB ILE 13 0.951 5.988 6.611 61 HG13 ILE 13 2HG1 ILE 13 3.054 6.326 4.542 62 HG21 ILE 13 1HG2 ILE 13 -0.073 4.788 4.544 63 HG22 ILE 13 2HG2 ILE 13 -1.019 6.055 5.310 64 HG23 ILE 13 3HG2 ILE 13 -0.149 6.386 3.805 65 HD11 ILE 13 3HD1 ILE 13 3.575 5.719 6.908 66 HD12 ILE 13 1HD1 ILE 13 2.652 4.209 6.685 67 HD13 ILE 13 2HD1 ILE 13 4.123 4.490 5.733 68 H LYS 14 H LYS 14 -0.659 8.864 4.139 69 HA LYS 14 HA LYS 14 -2.540 8.838 6.375 70 HB3 LYS 14 2HB LYS 14 -3.533 11.008 5.327 71 HG3 LYS 14 2HG LYS 14 -0.986 11.349 6.893 72 HD3 LYS 14 2HD LYS 14 -3.678 12.743 7.085 73 HE3 LYS 14 2HE LYS 14 -1.124 13.870 8.205 74 HZ1 LYS 14 3HZ LYS 14 -2.611 14.869 9.669 75 HZ2 LYS 14 1HZ LYS 14 -3.779 13.726 9.445 76 HZ3 LYS 14 2HZ LYS 14 -3.443 14.840 8.265 77 H ILE 15 H ILE 15 -4.741 8.864 5.716 78 HA ILE 15 HA ILE 15 -5.366 8.445 2.907 79 HB ILE 15 HB ILE 15 -6.139 6.422 5.093 80 HG13 ILE 15 2HG1 ILE 15 -3.797 6.131 4.502 81 HG21 ILE 15 1HG2 ILE 15 -7.172 5.113 3.277 82 HG22 ILE 15 2HG2 ILE 15 -7.885 6.710 3.320 83 HG23 ILE 15 3HG2 ILE 15 -6.686 6.327 2.084 84 HD11 ILE 15 3HD1 ILE 15 -4.986 4.015 4.919 85 HD12 ILE 15 1HD1 ILE 15 -5.317 3.870 3.172 86 HD13 ILE 15 2HD1 ILE 15 -3.658 3.850 3.762 87 H SER 16 H SER 16 -7.372 9.171 2.513 88 HA SER 16 HA SER 16 -9.251 9.925 4.668 89 HB3 SER 16 2HB SER 16 -9.615 12.080 3.101 90 HG SER 16 HG SER 16 -8.262 13.221 4.504 91 H LYS 17 H LYS 17 -11.490 10.293 3.667 92 HA LYS 17 HA LYS 17 -11.827 8.475 1.339 93 HB3 LYS 17 2HB LYS 17 -14.197 9.789 2.558 94 HG3 LYS 17 2HG LYS 17 -13.868 6.816 2.515 95 HD3 LYS 17 2HD LYS 17 -16.116 6.841 1.703 96 HE3 LYS 17 2HE LYS 17 -15.827 8.841 3.988 97 HZ1 LYS 17 3HZ LYS 17 -18.079 8.461 3.141 98 HZ2 LYS 17 1HZ LYS 17 -17.886 7.911 4.682 99 HZ3 LYS 17 2HZ LYS 17 -17.932 6.830 3.458 100 H SER 18 H SER 18 -13.483 9.407 -0.388 101 HA SER 18 HA SER 18 -13.629 12.281 -0.587 102 HB3 SER 18 2HB SER 18 -11.707 12.522 -1.724 103 HG SER 18 HG SER 18 -11.895 9.749 -2.124 104 HA PRO 19 HA PRO 19 -17.190 10.995 -2.988 105 HB3 PRO 19 2HB PRO 19 -17.943 13.173 -3.124 106 HG3 PRO 19 2HG PRO 19 -16.448 14.983 -3.330 107 HD3 PRO 19 2HD PRO 19 -15.578 13.765 -1.516 108 H ASP 20 H ASP 20 -14.175 11.882 -4.601 109 HA ASP 20 HA ASP 20 -14.795 10.134 -6.912 110 HB3 ASP 20 2HB ASP 20 -12.876 11.559 -7.919 111 H GLY 21 H GLY 21 -13.673 9.188 -4.178 112 HA2 GLY 21 1HA GLY 21 -12.624 6.897 -4.886 113 HA3 GLY 21 2HA GLY 21 -11.193 7.899 -5.141 114 H ALA 22 H ALA 22 -9.964 6.759 -3.332 115 HA ALA 22 HA ALA 22 -10.718 8.265 -0.852 116 HB1 ALA 22 1HB ALA 22 -10.678 5.921 -0.188 117 HB2 ALA 22 2HB ALA 22 -9.089 5.698 -0.959 118 HB3 ALA 22 3HB ALA 22 -9.249 6.751 0.434 119 H HIS 23 H HIS 23 -9.046 9.495 -0.054 120 HA HIS 23 HA HIS 23 -6.962 10.388 -1.977 121 HB3 HIS 23 2HB HIS 23 -6.505 11.862 0.174 122 HD1 HIS 23 1HD HIS 23 -6.658 13.268 -2.412 123 HD2 HIS 23 2HD HIS 23 -10.034 12.889 0.093 124 HE1 HIS 23 1HE HIS 23 -8.246 15.028 -3.122 125 H LEU 24 H LEU 24 -4.731 9.859 -1.574 126 HA LEU 24 HA LEU 24 -4.086 8.711 1.081 127 HB3 LEU 24 2HB LEU 24 -2.633 7.077 0.049 128 HG LEU 24 HG LEU 24 -5.259 6.779 0.455 129 HD11 LEU 24 1HD1 LEU 24 -6.603 6.152 -1.244 130 HD12 LEU 24 2HD1 LEU 24 -5.315 5.433 -2.206 131 HD13 LEU 24 3HD1 LEU 24 -5.574 7.197 -2.220 132 HD21 LEU 24 3HD2 LEU 24 -3.656 5.114 0.938 133 HD22 LEU 24 1HD2 LEU 24 -3.566 4.625 -0.790 134 HD23 LEU 24 2HD2 LEU 24 -5.064 4.403 0.151 135 H THR 25 H THR 25 -1.538 8.701 1.333 136 HA THR 25 HA THR 25 0.172 10.136 -0.304 137 HB THR 25 HB THR 25 -0.944 12.184 0.442 138 HG1 THR 25 1HG THR 25 0.811 13.290 1.172 139 HG21 THR 25 3HG2 THR 25 -1.003 12.928 2.742 140 HG22 THR 25 1HG2 THR 25 -0.262 11.404 3.268 141 HG23 THR 25 2HG2 THR 25 -1.897 11.410 2.557 142 H TRP 26 H TRP 26 2.331 10.241 0.679 143 HA TRP 26 HA TRP 26 2.865 8.842 3.110 144 HB3 TRP 26 2HB TRP 26 3.706 6.811 2.344 145 HD1 TRP 26 HD TRP 26 1.598 5.448 2.585 146 HE1 TRP 26 1HE TRP 26 -0.346 4.635 1.131 147 HE3 TRP 26 3HE TRP 26 2.501 8.288 -1.514 148 HZ2 TRP 26 2HZ TRP 26 -1.478 5.311 -1.393 149 HZ3 TRP 26 3HZ TRP 26 0.857 8.259 -3.433 150 HH2 TRP 26 HH TRP 26 -1.166 6.810 -3.314 151 H GLU 27 H GLU 27 5.346 8.611 3.368 152 HA GLU 27 HA GLU 27 6.923 10.406 1.637 153 HB3 GLU 27 2HB GLU 27 7.927 11.033 4.047 154 HG3 GLU 27 2HG GLU 27 5.273 12.356 3.580 155 HA PRO 28 HA PRO 28 10.145 7.425 2.098 156 HB3 PRO 28 2HB PRO 28 11.559 8.804 0.896 157 HG3 PRO 28 2HG PRO 28 11.513 11.229 1.257 158 HD3 PRO 28 2HD PRO 28 9.331 10.414 0.688 159 HA PRO 29 HA PRO 29 11.432 6.851 6.390 160 HB3 PRO 29 2HB PRO 29 12.606 4.963 5.814 161 HG3 PRO 29 2HG PRO 29 13.730 4.791 3.723 162 HD3 PRO 29 2HD PRO 29 11.534 5.512 3.219 163 H SER 30 H SER 30 13.462 7.368 7.937 164 HA SER 30 HA SER 30 14.849 9.853 7.278 165 HB3 SER 30 2HB SER 30 13.103 9.430 9.752 166 HG SER 30 HG SER 30 14.407 11.833 8.968 167 H VAL 31 H VAL 31 16.434 8.128 6.949 168 HA VAL 31 HA VAL 31 17.840 7.528 9.385 169 HB VAL 31 HB VAL 31 18.383 5.134 8.576 170 HG11 VAL 31 1HG1 VAL 31 15.680 5.549 9.906 171 HG12 VAL 31 2HG1 VAL 31 16.766 4.151 10.037 172 HG13 VAL 31 3HG1 VAL 31 17.252 5.712 10.709 173 HG21 VAL 31 3HG2 VAL 31 16.990 5.183 6.487 174 HG22 VAL 31 1HG2 VAL 31 16.585 3.857 7.571 175 HG23 VAL 31 2HG2 VAL 31 15.544 5.285 7.510 176 H THR 32 H THR 32 17.931 6.615 5.861 177 HA THR 32 HA THR 32 20.603 7.890 5.644 178 HB THR 32 HB THR 32 20.556 5.405 5.446 179 HG1 THR 32 1HG THR 32 22.122 6.558 4.249 180 HG21 THR 32 3HG2 THR 32 18.336 5.046 4.457 181 HG22 THR 32 1HG2 THR 32 19.599 4.301 3.483 182 HG23 THR 32 2HG2 THR 32 18.856 5.821 2.949 183 H SER 33 H SER 33 20.972 8.533 3.168 184 HA SER 33 HA SER 33 19.372 10.665 2.493 185 HB3 SER 33 2HB SER 33 20.518 10.614 0.377 186 HG SER 33 HG SER 33 22.114 11.055 1.836 187 H GLY 34 H GLY 34 19.342 7.447 0.905 188 HA2 GLY 34 1HA GLY 34 17.541 6.170 0.151 189 HA3 GLY 34 2HA GLY 34 16.425 7.364 0.734 190 H LYS 35 H LYS 35 17.543 5.968 -1.970 191 HA LYS 35 HA LYS 35 17.023 8.360 -3.749 192 HB3 LYS 35 2HB LYS 35 17.875 6.811 -5.539 193 HG3 LYS 35 2HG LYS 35 19.972 7.317 -3.412 194 HD3 LYS 35 2HD LYS 35 20.406 6.196 -5.739 195 HE3 LYS 35 2HE LYS 35 20.499 9.016 -6.783 196 HZ1 LYS 35 3HZ LYS 35 21.074 6.963 -8.170 197 HZ2 LYS 35 1HZ LYS 35 19.948 7.959 -8.837 198 HZ3 LYS 35 2HZ LYS 35 19.453 6.607 -8.118 199 H ILE 36 H ILE 36 14.836 8.235 -3.157 200 HA ILE 36 HA ILE 36 13.232 5.966 -4.223 201 HB ILE 36 HB ILE 36 12.446 8.494 -2.740 202 HG13 ILE 36 2HG1 ILE 36 12.153 5.547 -1.964 203 HG21 ILE 36 1HG2 ILE 36 10.124 7.578 -2.785 204 HG22 ILE 36 2HG2 ILE 36 10.689 7.997 -4.382 205 HG23 ILE 36 3HG2 ILE 36 10.660 6.290 -3.885 206 HD11 ILE 36 3HD1 ILE 36 13.268 6.204 0.151 207 HD12 ILE 36 1HD1 ILE 36 14.372 6.203 -1.229 208 HD13 ILE 36 2HD1 ILE 36 13.733 7.749 -0.609 209 H ILE 37 H ILE 37 11.941 6.271 -6.044 210 HA ILE 37 HA ILE 37 12.256 8.740 -7.640 211 HB ILE 37 HB ILE 37 12.615 7.175 -9.612 212 HG13 ILE 37 2HG1 ILE 37 12.023 5.022 -8.352 213 HG21 ILE 37 1HG2 ILE 37 14.848 7.272 -7.557 214 HG22 ILE 37 2HG2 ILE 37 15.039 7.222 -9.311 215 HG23 ILE 37 3HG2 ILE 37 14.319 8.640 -8.557 216 HD11 ILE 37 3HD1 ILE 37 13.030 4.451 -10.343 217 HD12 ILE 37 1HD1 ILE 37 14.573 5.230 -9.956 218 HD13 ILE 37 2HD1 ILE 37 14.144 3.730 -9.146 219 H GLU 38 H GLU 38 10.232 6.022 -6.629 220 HA GLU 38 HA GLU 38 7.965 7.200 -7.944 221 HB3 GLU 38 2HB GLU 38 8.337 4.323 -8.688 222 HG3 GLU 38 2HG GLU 38 6.665 6.444 -9.572 223 H TYR 39 H TYR 39 6.053 5.114 -7.237 224 HA TYR 39 HA TYR 39 6.946 3.920 -4.665 225 HB3 TYR 39 2HB TYR 39 4.298 4.870 -4.263 226 HD1 TYR 39 2HD TYR 39 5.178 3.834 -2.140 227 HD2 TYR 39 1HD TYR 39 6.986 7.315 -3.881 228 HE1 TYR 39 2HE TYR 39 6.256 4.368 0.048 229 HE2 TYR 39 1HE TYR 39 8.132 7.817 -1.758 230 HH TYR 39 HH TYR 39 8.286 7.237 0.597 231 H SER 40 H SER 40 4.979 2.521 -3.795 232 HA SER 40 HA SER 40 3.043 1.896 -5.744 233 HB3 SER 40 2HB SER 40 3.487 -0.715 -5.126 234 HG SER 40 HG SER 40 4.215 0.764 -7.344 235 H VAL 41 H VAL 41 1.366 0.464 -4.832 236 HA VAL 41 HA VAL 41 1.382 -0.186 -2.053 237 HB VAL 41 HB VAL 41 0.854 1.865 -1.840 238 HG11 VAL 41 1HG1 VAL 41 -1.271 2.265 -3.674 239 HG12 VAL 41 2HG1 VAL 41 -1.452 2.947 -2.051 240 HG13 VAL 41 3HG1 VAL 41 -0.035 3.385 -2.961 241 HG21 VAL 41 3HG2 VAL 41 -0.270 0.014 -0.455 242 HG22 VAL 41 1HG2 VAL 41 -1.126 1.540 -0.324 243 HG23 VAL 41 2HG2 VAL 41 -1.732 0.270 -1.400 244 H TYR 42 H TYR 42 0.703 -2.190 -1.957 245 HA TYR 42 HA TYR 42 -1.097 -3.169 -4.055 246 HB3 TYR 42 2HB TYR 42 -0.090 -5.196 -3.870 247 HD1 TYR 42 2HD TYR 42 1.237 -3.445 -5.432 248 HD2 TYR 42 1HD TYR 42 2.550 -4.990 -1.623 249 HE1 TYR 42 2HE TYR 42 3.587 -2.950 -6.045 250 HE2 TYR 42 1HE TYR 42 4.899 -4.538 -2.262 251 HH TYR 42 HH TYR 42 5.853 -3.196 -5.399 252 H LEU 43 H LEU 43 -3.109 -2.525 -3.316 253 HA LEU 43 HA LEU 43 -4.090 -3.035 -0.586 254 HB3 LEU 43 2HB LEU 43 -5.356 -2.250 -3.226 255 HG LEU 43 HG LEU 43 -7.067 -3.491 -2.064 256 HD11 LEU 43 1HD1 LEU 43 -7.847 -2.801 0.155 257 HD12 LEU 43 2HD1 LEU 43 -6.489 -1.663 0.314 258 HD13 LEU 43 3HD1 LEU 43 -6.230 -3.412 0.284 259 HD21 LEU 43 3HD2 LEU 43 -7.549 -0.514 -1.594 260 HD22 LEU 43 1HD2 LEU 43 -8.755 -1.789 -1.893 261 HD23 LEU 43 2HD2 LEU 43 -7.664 -1.307 -3.178 262 H ALA 44 H ALA 44 -5.155 -4.894 0.044 263 HA ALA 44 HA ALA 44 -5.000 -7.269 -1.673 264 HB1 ALA 44 1HB ALA 44 -5.361 -6.823 1.273 265 HB2 ALA 44 2HB ALA 44 -5.876 -8.349 0.518 266 HB3 ALA 44 3HB ALA 44 -4.189 -7.841 0.438 267 H ILE 45 H ILE 45 -6.811 -8.622 -2.055 268 HA ILE 45 HA ILE 45 -9.508 -7.500 -1.888 269 HB ILE 45 HB ILE 45 -9.724 -7.711 -4.382 270 HG13 ILE 45 2HG1 ILE 45 -7.549 -9.158 -4.595 271 HG21 ILE 45 1HG2 ILE 45 -8.790 -5.555 -4.948 272 HG22 ILE 45 2HG2 ILE 45 -9.394 -5.477 -3.292 273 HG23 ILE 45 3HG2 ILE 45 -7.658 -5.615 -3.604 274 HD11 ILE 45 3HD1 ILE 45 -8.142 -6.967 -6.605 275 HD12 ILE 45 1HD1 ILE 45 -7.146 -8.403 -6.898 276 HD13 ILE 45 2HD1 ILE 45 -8.875 -8.576 -6.527 277 H GLN 46 H GLN 46 -11.111 -9.109 -2.939 278 HA GLN 46 HA GLN 46 -10.162 -11.922 -2.790 279 HB3 GLN 46 2HB GLN 46 -12.517 -12.434 -3.531 280 HG3 GLN 46 2HG GLN 46 -13.108 -11.033 -1.041 281 HE21 GLN 46 1HE2 GLN 46 -11.566 -14.218 -1.875 282 HE22 GLN 46 2HE2 GLN 46 -12.888 -15.179 -1.291 283 H SER 47 H SER 47 -8.636 -11.910 -4.421 284 HA SER 47 HA SER 47 -9.878 -13.113 -6.496 285 HB3 SER 47 2HB SER 47 -8.110 -10.994 -7.744 286 HG SER 47 HG SER 47 -9.404 -11.585 -9.497 287 H SER 48 H SER 48 -8.113 -14.042 -8.042 288 HA SER 48 HA SER 48 -5.597 -14.623 -6.650 289 HB3 SER 48 2HB SER 48 -5.072 -15.766 -8.765 290 HG SER 48 HG SER 48 -7.613 -16.716 -8.526 291 H GLN 49 H GLN 49 -3.543 -13.791 -7.424 292 HA GLN 49 HA GLN 49 -3.422 -12.069 -9.681 293 HB3 GLN 49 2HB GLN 49 -2.511 -10.738 -7.102 294 HG3 GLN 49 2HG GLN 49 -3.651 -8.876 -8.922 295 HE21 GLN 49 1HE2 GLN 49 -2.540 -7.550 -7.393 296 HE22 GLN 49 2HE2 GLN 49 -0.810 -7.186 -7.679 297 H ALA 50 H ALA 50 -0.851 -11.161 -9.585 298 HA ALA 50 HA ALA 50 0.739 -13.575 -9.585 299 HB1 ALA 50 1HB ALA 50 1.420 -10.604 -9.934 300 HB2 ALA 50 2HB ALA 50 2.572 -11.898 -10.134 301 HB3 ALA 50 3HB ALA 50 1.174 -11.799 -11.223 302 H SER 51 H SER 51 2.966 -13.481 -8.397 303 HA SER 51 HA SER 51 2.986 -12.494 -5.693 304 HB3 SER 51 2HB SER 51 1.472 -14.204 -5.158 305 HG SER 51 HG SER 51 2.505 -16.437 -6.149 306 H GLY 52 H GLY 52 5.157 -12.106 -5.435 307 HA2 GLY 52 1HA GLY 52 7.254 -13.794 -6.475 308 HA3 GLY 52 2HA GLY 52 6.935 -12.395 -7.508 309 H GLU 53 H GLU 53 8.601 -13.399 -4.762 310 HA GLU 53 HA GLU 53 8.757 -10.631 -3.661 311 HB3 GLU 53 2HB GLU 53 7.639 -11.589 -1.986 312 HG3 GLU 53 2HG GLU 53 8.083 -14.063 -1.240 313 HA PRO 54 HA PRO 54 13.091 -10.662 -3.986 314 HB3 PRO 54 2HB PRO 54 13.149 -8.548 -3.198 315 HG3 PRO 54 2HG PRO 54 11.701 -7.860 -1.401 316 HD3 PRO 54 2HD PRO 54 10.317 -8.809 -3.081 317 H LYS 55 H LYS 55 14.264 -12.387 -3.816 318 HA LYS 55 HA LYS 55 15.516 -14.114 -3.088 319 HB3 LYS 55 2HB LYS 55 15.130 -14.050 -0.194 320 HG3 LYS 55 2HG LYS 55 17.251 -14.636 -1.806 321 HD3 LYS 55 2HD LYS 55 17.644 -11.834 -0.633 322 HE3 LYS 55 2HE LYS 55 19.645 -13.496 -2.173 323 HZ1 LYS 55 3HZ LYS 55 20.127 -11.445 -0.115 324 HZ2 LYS 55 1HZ LYS 55 19.864 -11.002 -1.674 325 HZ3 LYS 55 2HZ LYS 55 21.137 -11.939 -1.303 326 H SER 56 H SER 56 12.234 -14.075 -2.782 327 HA SER 56 HA SER 56 10.631 -15.347 -1.871 328 HB3 SER 56 2HB SER 56 10.807 -17.739 -1.691 329 HG SER 56 HG SER 56 10.581 -17.602 -3.723 330 H SER 57 H SER 57 10.722 -13.943 -0.096 331 HA SER 57 HA SER 57 11.666 -15.298 2.345 332 HB3 SER 57 2HB SER 57 13.411 -13.687 1.910 333 HG SER 57 HG SER 57 12.380 -12.141 0.623 334 H THR 58 H THR 58 9.227 -15.447 1.201 335 HA THR 58 HA THR 58 7.475 -14.649 3.249 336 HB THR 58 HB THR 58 6.041 -13.222 1.342 337 HG1 THR 58 1HG THR 58 8.545 -11.985 1.306 338 HG21 THR 58 3HG2 THR 58 6.034 -11.457 2.731 339 HG22 THR 58 1HG2 THR 58 7.748 -11.563 3.149 340 HG23 THR 58 2HG2 THR 58 6.583 -12.682 3.877 341 HA PRO 59 HA PRO 59 6.489 -18.064 0.215 342 HB3 PRO 59 2HB PRO 59 7.879 -19.564 1.249 343 HG3 PRO 59 2HG PRO 59 8.341 -19.415 3.585 344 HD3 PRO 59 2HD PRO 59 8.754 -17.220 2.906 345 H ALA 60 H ALA 60 4.438 -17.045 -0.129 346 HA ALA 60 HA ALA 60 2.267 -18.640 0.442 347 HB1 ALA 60 1HB ALA 60 0.934 -16.714 1.762 348 HB2 ALA 60 2HB ALA 60 1.822 -17.977 2.634 349 HB3 ALA 60 3HB ALA 60 2.534 -16.369 2.429 350 H GLN 61 H GLN 61 1.461 -18.332 -1.581 351 HA GLN 61 HA GLN 61 1.400 -16.069 -3.153 352 HB3 GLN 61 2HB GLN 61 0.674 -18.104 -4.073 353 HG3 GLN 61 2HG GLN 61 -1.901 -18.667 -3.290 354 HE21 GLN 61 1HE2 GLN 61 -1.830 -20.804 -3.749 355 HE22 GLN 61 2HE2 GLN 61 -0.535 -21.903 -3.301 356 H LEU 62 H LEU 62 0.982 -14.090 -2.433 357 HA LEU 62 HA LEU 62 -1.142 -13.430 -0.535 358 HB3 LEU 62 2HB LEU 62 -0.479 -11.119 -0.836 359 HG LEU 62 HG LEU 62 1.921 -12.993 -0.849 360 HD11 LEU 62 1HD1 LEU 62 3.400 -11.353 -0.200 361 HD12 LEU 62 2HD1 LEU 62 2.172 -10.125 0.005 362 HD13 LEU 62 3HD1 LEU 62 2.602 -10.690 -1.625 363 HD21 LEU 62 3HD2 LEU 62 0.298 -11.551 1.286 364 HD22 LEU 62 1HD2 LEU 62 1.908 -12.201 1.594 365 HD23 LEU 62 2HD2 LEU 62 0.598 -13.304 1.111 366 H ALA 63 H ALA 63 -2.675 -11.486 -1.329 367 HA ALA 63 HA ALA 63 -3.273 -11.705 -4.176 368 HB1 ALA 63 1HB ALA 63 -4.902 -13.215 -3.303 369 HB2 ALA 63 2HB ALA 63 -5.246 -12.171 -1.897 370 HB3 ALA 63 3HB ALA 63 -5.774 -11.677 -3.512 371 H PHE 64 H PHE 64 -2.843 -9.715 -4.848 372 HA PHE 64 HA PHE 64 -4.004 -7.445 -3.362 373 HB3 PHE 64 2HB PHE 64 -2.100 -6.091 -3.811 374 HD1 PHE 64 2HD PHE 64 -2.850 -7.310 -1.305 375 HD2 PHE 64 1HD PHE 64 0.673 -7.868 -3.708 376 HE1 PHE 64 2HE PHE 64 -1.621 -8.119 0.690 377 HE2 PHE 64 1HE PHE 64 1.947 -8.497 -1.663 378 HZ PHE 64 HZ PHE 64 0.752 -8.710 0.506 379 H MET 65 H MET 65 -4.036 -5.476 -4.803 380 HA MET 65 HA MET 65 -4.542 -6.198 -7.660 381 HB3 MET 65 2HB MET 65 -6.459 -5.615 -6.064 382 HG3 MET 65 2HG MET 65 -5.614 -2.767 -6.633 383 HE1 MET 65 3HE MET 65 -8.501 -4.324 -7.051 384 HE2 MET 65 1HE MET 65 -9.591 -3.137 -6.335 385 HE3 MET 65 2HE MET 65 -8.291 -2.594 -7.434 386 H ARG 66 H ARG 66 -2.450 -4.447 -5.699 387 HA ARG 66 HA ARG 66 -1.024 -2.614 -6.014 388 HB3 ARG 66 2HB ARG 66 -1.170 -3.469 -8.943 389 HG3 ARG 66 2HG ARG 66 1.083 -2.337 -7.282 390 HD3 ARG 66 2HD ARG 66 1.034 -3.126 -10.168 391 HE ARG 66 HE ARG 66 2.277 -0.852 -9.168 392 HH11 ARG 66 1HH1 ARG 66 3.462 -3.900 -10.382 393 HH12 ARG 66 2HH1 ARG 66 4.861 -3.278 -11.166 394 HH21 ARG 66 1HH2 ARG 66 4.168 0.117 -10.154 395 HH22 ARG 66 2HH2 ARG 66 5.344 -0.932 -10.861 396 H VAL 67 H VAL 67 -2.546 -0.913 -5.295 397 HA VAL 67 HA VAL 67 -4.296 0.181 -7.377 398 HB VAL 67 HB VAL 67 -5.022 1.793 -5.619 399 HG11 VAL 67 1HG1 VAL 67 -5.318 -1.128 -5.040 400 HG12 VAL 67 2HG1 VAL 67 -6.449 0.145 -4.513 401 HG13 VAL 67 3HG1 VAL 67 -6.253 -0.212 -6.239 402 HG21 VAL 67 3HG2 VAL 67 -3.370 0.119 -3.702 403 HG22 VAL 67 1HG2 VAL 67 -3.366 1.896 -3.957 404 HG23 VAL 67 2HG2 VAL 67 -4.747 1.130 -3.227 405 H TYR 68 H TYR 68 -1.255 1.289 -5.418 406 HA TYR 68 HA TYR 68 -1.373 3.770 -6.676 407 HB3 TYR 68 2HB TYR 68 0.947 2.182 -5.606 408 HD1 TYR 68 2HD TYR 68 2.378 3.196 -7.756 409 HD2 TYR 68 1HD TYR 68 0.545 5.403 -4.545 410 HE1 TYR 68 2HE TYR 68 3.922 5.100 -8.156 411 HE2 TYR 68 1HE TYR 68 2.004 7.169 -4.868 412 HH TYR 68 HH TYR 68 4.239 7.514 -7.746 413 H CYS 69 H CYS 69 -0.932 4.523 -8.522 414 HA CYS 69 HA CYS 69 0.890 3.459 -10.481 415 HB3 CYS 69 2HB CYS 69 -1.690 3.777 -11.834 416 HG CYS 69 HG CYS 69 0.369 1.181 -11.339 417 H GLY 70 H GLY 70 1.181 5.834 -9.069 418 HA2 GLY 70 1HA GLY 70 0.591 7.816 -11.202 419 HA3 GLY 70 2HA GLY 70 0.593 8.260 -9.487 420 HA PRO 71 HA PRO 71 5.080 8.240 -10.979 421 HB3 PRO 71 2HB PRO 71 4.821 9.563 -12.876 422 HG3 PRO 71 2HG PRO 71 3.093 11.222 -13.050 423 HD3 PRO 71 2HD PRO 71 1.818 9.402 -12.430 424 H SER 72 H SER 72 3.300 10.998 -9.603 425 HA SER 72 HA SER 72 5.235 11.386 -7.440 426 HB3 SER 72 2HB SER 72 4.054 13.444 -7.111 427 HG SER 72 HG SER 72 5.269 13.307 -9.091 428 HA PRO 73 HA PRO 73 2.401 9.326 -4.713 429 HB3 PRO 73 2HB PRO 73 4.218 9.260 -3.247 430 HG3 PRO 73 2HG PRO 73 5.602 11.192 -2.894 431 HD3 PRO 73 2HD PRO 73 5.660 10.720 -5.197 432 H SER 74 H SER 74 1.061 10.108 -2.628 433 HA SER 74 HA SER 74 -0.838 11.021 -1.969 434 HB3 SER 74 2HB SER 74 0.643 12.700 -1.215 435 HG SER 74 HG SER 74 0.906 13.475 -3.749 436 H CYS 75 H CYS 75 -1.677 9.708 -3.919 437 HA CYS 75 HA CYS 75 -3.227 11.469 -5.757 438 HB3 CYS 75 2HB CYS 75 -3.269 9.492 -7.258 439 HG CYS 75 HG CYS 75 -1.525 11.384 -7.708 440 H LEU 76 H LEU 76 -5.308 10.129 -6.478 441 HA LEU 76 HA LEU 76 -6.674 9.201 -4.056 442 HB3 LEU 76 2HB LEU 76 -8.698 9.253 -5.671 443 HG LEU 76 HG LEU 76 -7.941 11.051 -3.920 444 HD11 LEU 76 1HD1 LEU 76 -6.248 12.258 -5.255 445 HD12 LEU 76 2HD1 LEU 76 -7.628 13.314 -4.989 446 HD13 LEU 76 3HD1 LEU 76 -7.417 12.525 -6.551 447 HD21 LEU 76 3HD2 LEU 76 -10.246 10.744 -4.705 448 HD22 LEU 76 1HD2 LEU 76 -9.909 11.712 -6.147 449 HD23 LEU 76 2HD2 LEU 76 -9.853 12.456 -4.539 450 H VAL 77 H VAL 77 -8.529 7.401 -4.972 451 HA VAL 77 HA VAL 77 -7.351 5.412 -6.693 452 HB VAL 77 HB VAL 77 -6.445 5.007 -4.365 453 HG11 VAL 77 1HG1 VAL 77 -9.175 4.047 -3.651 454 HG12 VAL 77 2HG1 VAL 77 -7.676 3.899 -2.700 455 HG13 VAL 77 3HG1 VAL 77 -8.363 5.505 -3.019 456 HG21 VAL 77 3HG2 VAL 77 -6.794 2.560 -4.509 457 HG22 VAL 77 1HG2 VAL 77 -8.206 2.800 -5.552 458 HG23 VAL 77 2HG2 VAL 77 -6.596 3.250 -6.139 459 H GLN 78 H GLN 78 -9.053 4.177 -7.712 460 HA GLN 78 HA GLN 78 -11.573 5.454 -7.666 461 HB3 GLN 78 2HB GLN 78 -12.285 3.511 -9.100 462 HG3 GLN 78 2HG GLN 78 -9.629 4.844 -9.732 463 HE21 GLN 78 1HE2 GLN 78 -11.421 4.000 -12.491 464 HE22 GLN 78 2HE2 GLN 78 -10.512 2.563 -12.903 465 H SER 79 H SER 79 -13.433 5.002 -6.630 466 HA SER 79 HA SER 79 -13.488 3.483 -4.223 467 HB3 SER 79 2HB SER 79 -15.925 4.244 -5.829 468 HG SER 79 HG SER 79 -16.139 3.206 -3.717 469 H SER 80 H SER 80 -14.197 2.425 -7.551 470 HA SER 80 HA SER 80 -15.458 -0.073 -6.891 471 HB3 SER 80 2HB SER 80 -13.812 0.716 -9.345 472 HG SER 80 HG SER 80 -14.334 -1.489 -9.294 473 H SER 81 H SER 81 -12.094 1.020 -6.615 474 HA SER 81 HA SER 81 -11.123 -1.752 -6.614 475 HB3 SER 81 2HB SER 81 -8.953 -0.676 -6.090 476 HG SER 81 HG SER 81 -10.475 -0.268 -8.275 477 H LEU 82 H LEU 82 -12.146 0.793 -4.366 478 HA LEU 82 HA LEU 82 -11.020 -0.455 -2.001 479 HB3 LEU 82 2HB LEU 82 -12.472 1.277 -0.839 480 HG LEU 82 HG LEU 82 -10.642 2.229 -3.078 481 HD11 LEU 82 1HD1 LEU 82 -11.743 3.853 -0.753 482 HD12 LEU 82 2HD1 LEU 82 -12.338 3.966 -2.429 483 HD13 LEU 82 3HD1 LEU 82 -10.684 4.412 -2.053 484 HD21 LEU 82 3HD2 LEU 82 -9.064 2.664 -1.212 485 HD22 LEU 82 1HD2 LEU 82 -9.493 0.950 -1.282 486 HD23 LEU 82 2HD2 LEU 82 -10.230 2.000 -0.058 487 H SER 83 H SER 83 -14.240 -0.449 -3.560 488 HA SER 83 HA SER 83 -15.688 -1.470 -1.325 489 HB3 SER 83 2HB SER 83 -17.405 -2.046 -2.999 490 HG SER 83 HG SER 83 -16.051 0.376 -3.642 491 H ASN 84 H ASN 84 -13.937 -3.003 -3.920 492 HA ASN 84 HA ASN 84 -14.675 -5.716 -3.344 493 HB3 ASN 84 2HB ASN 84 -13.253 -6.199 -5.226 494 HD21 ASN 84 1HD2 ASN 84 -13.833 -5.847 -7.517 495 HD22 ASN 84 2HD2 ASN 84 -15.208 -4.820 -7.808 496 H ALA 85 H ALA 85 -12.831 -4.015 -1.313 497 HA ALA 85 HA ALA 85 -10.450 -5.766 -1.204 498 HB1 ALA 85 1HB ALA 85 -10.100 -3.379 -1.269 499 HB2 ALA 85 2HB ALA 85 -11.114 -3.149 0.177 500 HB3 ALA 85 3HB ALA 85 -9.596 -4.066 0.294 501 H HIS 86 H HIS 86 -9.899 -6.746 0.802 502 HA HIS 86 HA HIS 86 -12.140 -7.486 2.579 503 HB3 HIS 86 2HB HIS 86 -9.434 -8.300 3.469 504 HD1 HIS 86 1HD HIS 86 -9.901 -11.191 1.914 505 HD2 HIS 86 2HD HIS 86 -12.565 -9.117 4.435 506 HE1 HIS 86 1HE HIS 86 -11.460 -12.941 2.977 507 H ILE 87 H ILE 87 -12.414 -6.776 4.649 508 HA ILE 87 HA ILE 87 -10.706 -4.659 5.724 509 HB ILE 87 HB ILE 87 -13.123 -6.155 6.814 510 HG13 ILE 87 2HG1 ILE 87 -14.447 -4.136 6.263 511 HG21 ILE 87 1HG2 ILE 87 -13.466 -4.407 8.423 512 HG22 ILE 87 2HG2 ILE 87 -11.890 -5.137 8.661 513 HG23 ILE 87 3HG2 ILE 87 -12.003 -3.561 7.856 514 HD11 ILE 87 3HD1 ILE 87 -12.809 -2.324 6.096 515 HD12 ILE 87 1HD1 ILE 87 -11.943 -3.203 4.820 516 HD13 ILE 87 2HD1 ILE 87 -13.550 -2.577 4.502 517 H ASP 88 H ASP 88 -9.672 -4.749 7.738 518 HA ASP 88 HA ASP 88 -8.100 -7.166 8.148 519 HB3 ASP 88 2HB ASP 88 -8.023 -4.409 9.439 520 H TYR 89 H TYR 89 -8.543 -8.643 9.742 521 HA TYR 89 HA TYR 89 -10.467 -7.958 11.892 522 HB3 TYR 89 2HB TYR 89 -10.792 -10.661 11.202 523 HD1 TYR 89 1HD TYR 89 -12.225 -7.524 9.602 524 HD2 TYR 89 2HD TYR 89 -12.920 -11.100 11.903 525 HE1 TYR 89 1HE TYR 89 -14.583 -6.831 9.938 526 HE2 TYR 89 2HE TYR 89 -15.285 -10.415 12.252 527 HH TYR 89 HH TYR 89 -16.777 -7.501 10.926 528 H THR 90 H THR 90 -7.316 -8.611 11.346 529 HA THR 90 HA THR 90 -6.871 -10.489 13.541 530 HB THR 90 HB THR 90 -4.432 -9.819 12.756 531 HG1 THR 90 1HG THR 90 -4.351 -8.866 10.753 532 HG21 THR 90 3HG2 THR 90 -5.607 -11.992 12.214 533 HG22 THR 90 1HG2 THR 90 -4.466 -11.449 10.964 534 HG23 THR 90 2HG2 THR 90 -6.207 -11.235 10.745 535 H THR 91 H THR 91 -7.029 -7.003 12.883 536 HA THR 91 HA THR 91 -6.231 -6.572 15.704 537 HB THR 91 HB THR 91 -5.138 -4.409 14.965 538 HG1 THR 91 1HG THR 91 -5.563 -5.485 12.483 539 HG21 THR 91 3HG2 THR 91 -3.623 -6.907 14.212 540 HG22 THR 91 1HG2 THR 91 -3.923 -6.397 15.888 541 HG23 THR 91 2HG2 THR 91 -2.957 -5.373 14.814 542 H LYS 92 H LYS 92 -7.634 -4.719 12.866 543 HA LYS 92 HA LYS 92 -9.860 -3.978 14.597 544 HB3 LYS 92 2HB LYS 92 -9.408 -1.471 13.949 545 HG3 LYS 92 2HG LYS 92 -7.303 -2.238 15.918 546 HD3 LYS 92 2HD LYS 92 -8.298 0.103 15.779 547 HE3 LYS 92 2HE LYS 92 -10.765 -1.467 16.657 548 HZ1 LYS 92 3HZ LYS 92 -10.166 1.381 16.999 549 HZ2 LYS 92 1HZ LYS 92 -10.653 0.312 18.150 550 HZ3 LYS 92 2HZ LYS 92 -11.702 0.850 16.956 551 HA PRO 93 HA PRO 93 -11.616 -3.846 10.544 552 HB3 PRO 93 2HB PRO 93 -13.724 -3.867 11.538 553 HG3 PRO 93 2HG PRO 93 -14.199 -2.547 13.428 554 HD3 PRO 93 2HD PRO 93 -12.240 -3.700 14.078 555 H ALA 94 H ALA 94 -10.305 -2.997 9.212 556 HA ALA 94 HA ALA 94 -10.533 -0.235 8.269 557 HB1 ALA 94 1HB ALA 94 -8.081 -1.631 9.450 558 HB2 ALA 94 2HB ALA 94 -7.958 -0.193 8.403 559 HB3 ALA 94 3HB ALA 94 -8.833 -0.104 9.950 560 H ILE 95 H ILE 95 -9.282 -0.093 6.140 561 HA ILE 95 HA ILE 95 -9.045 -2.747 4.752 562 HB ILE 95 HB ILE 95 -8.819 0.088 3.674 563 HG13 ILE 95 2HG1 ILE 95 -11.152 -0.518 4.278 564 HG21 ILE 95 1HG2 ILE 95 -8.799 -1.035 1.437 565 HG22 ILE 95 2HG2 ILE 95 -7.418 -1.506 2.393 566 HG23 ILE 95 3HG2 ILE 95 -8.803 -2.614 2.256 567 HD11 ILE 95 3HD1 ILE 95 -10.478 0.614 1.947 568 HD12 ILE 95 1HD1 ILE 95 -11.157 -0.890 1.298 569 HD13 ILE 95 2HD1 ILE 95 -12.149 0.179 2.313 570 H ILE 96 H ILE 96 -6.982 -3.611 4.273 571 HA ILE 96 HA ILE 96 -4.661 -2.320 5.540 572 HB ILE 96 HB ILE 96 -4.997 -5.018 4.146 573 HG13 ILE 96 2HG1 ILE 96 -4.720 -5.980 6.384 574 HG21 ILE 96 1HG2 ILE 96 -2.665 -4.457 3.899 575 HG22 ILE 96 2HG2 ILE 96 -2.511 -3.935 5.571 576 HG23 ILE 96 3HG2 ILE 96 -2.809 -5.651 5.184 577 HD11 ILE 96 3HD1 ILE 96 -5.371 -3.569 7.899 578 HD12 ILE 96 1HD1 ILE 96 -4.155 -4.854 8.179 579 HD13 ILE 96 2HD1 ILE 96 -3.737 -3.458 7.237 580 H PHE 97 H PHE 97 -2.810 -1.684 4.471 581 HA PHE 97 HA PHE 97 -2.777 -1.787 1.500 582 HB3 PHE 97 2HB PHE 97 -1.820 0.557 1.593 583 HD1 PHE 97 1HD PHE 97 -4.816 0.738 3.752 584 HD2 PHE 97 2HD PHE 97 -3.473 0.474 -0.315 585 HE1 PHE 97 1HE PHE 97 -7.080 1.324 2.952 586 HE2 PHE 97 2HE PHE 97 -5.680 1.315 -1.104 587 HZ PHE 97 HZ PHE 97 -7.516 1.624 0.523 588 H ARG 98 H ARG 98 -1.036 -2.961 1.076 589 HA ARG 98 HA ARG 98 1.475 -2.909 2.618 590 HB3 ARG 98 2HB ARG 98 2.134 -4.240 0.368 591 HG3 ARG 98 2HG ARG 98 1.276 -6.255 1.336 592 HD3 ARG 98 2HD ARG 98 2.275 -5.014 3.842 593 HE ARG 98 HE ARG 98 3.735 -6.827 1.999 594 HH11 ARG 98 1HH1 ARG 98 1.809 -6.687 5.011 595 HH12 ARG 98 2HH1 ARG 98 2.624 -8.072 5.711 596 HH21 ARG 98 1HH2 ARG 98 4.773 -8.652 3.012 597 HH22 ARG 98 2HH2 ARG 98 4.340 -9.096 4.647 598 H ILE 99 H ILE 99 2.098 -0.595 2.447 599 HA ILE 99 HA ILE 99 2.489 0.457 -0.323 600 HB ILE 99 HB ILE 99 3.062 1.665 2.407 601 HG13 ILE 99 2HG1 ILE 99 0.556 1.140 1.220 602 HG21 ILE 99 1HG2 ILE 99 3.146 3.818 1.225 603 HG22 ILE 99 2HG2 ILE 99 4.443 2.759 0.699 604 HG23 ILE 99 3HG2 ILE 99 3.029 2.972 -0.341 605 HD11 ILE 99 3HD1 ILE 99 -0.346 2.704 2.774 606 HD12 ILE 99 1HD1 ILE 99 0.902 1.660 3.468 607 HD13 ILE 99 2HD1 ILE 99 1.278 3.352 3.075 608 H ALA 100 H ALA 100 4.699 0.858 -1.174 609 HA ALA 100 HA ALA 100 6.918 0.549 0.634 610 HB1 ALA 100 1HB ALA 100 6.588 -1.358 -1.724 611 HB2 ALA 100 2HB ALA 100 8.126 -1.087 -0.856 612 HB3 ALA 100 3HB ALA 100 6.758 -1.785 -0.005 613 H ALA 101 H ALA 101 8.738 1.575 -0.112 614 HA ALA 101 HA ALA 101 8.267 3.759 -2.030 615 HB1 ALA 101 1HB ALA 101 9.408 4.036 0.168 616 HB2 ALA 101 2HB ALA 101 10.754 3.081 -0.511 617 HB3 ALA 101 3HB ALA 101 10.272 4.626 -1.259 618 H ARG 102 H ARG 102 9.033 3.832 -4.181 619 HA ARG 102 HA ARG 102 10.534 1.445 -5.108 620 HB3 ARG 102 2HB ARG 102 9.457 3.706 -6.784 621 HG3 ARG 102 2HG ARG 102 11.053 2.515 -8.040 622 HD3 ARG 102 2HD ARG 102 10.009 0.142 -6.705 623 HE ARG 102 HE ARG 102 8.969 -0.679 -8.538 624 HH11 ARG 102 1HH1 ARG 102 12.195 0.477 -9.755 625 HH12 ARG 102 2HH1 ARG 102 11.966 -0.381 -11.224 626 HH21 ARG 102 1HH2 ARG 102 8.793 -1.555 -10.647 627 HH22 ARG 102 2HH2 ARG 102 10.178 -1.568 -11.692 628 H ASN 103 H ASN 103 12.404 1.858 -4.169 629 HA ASN 103 HA ASN 103 13.974 4.198 -5.134 630 HB3 ASN 103 2HB ASN 103 13.860 4.466 -2.746 631 HD21 ASN 103 1HD2 ASN 103 14.359 1.057 -3.435 632 HD22 ASN 103 2HD2 ASN 103 13.794 0.458 -1.900 633 H GLU 104 H GLU 104 16.409 3.640 -5.199 634 HA GLU 104 HA GLU 104 16.842 1.731 -7.092 635 HB3 GLU 104 2HB GLU 104 19.287 1.855 -6.457 636 HG3 GLU 104 2HG GLU 104 18.549 4.680 -6.314 637 H LYS 105 H LYS 105 16.441 0.894 -3.737 638 HA LYS 105 HA LYS 105 17.896 -1.674 -3.938 639 HB3 LYS 105 2HB LYS 105 16.142 -1.339 -1.596 640 HG3 LYS 105 2HG LYS 105 18.389 -1.215 -0.434 641 HD3 LYS 105 2HD LYS 105 17.591 -3.553 -2.175 642 HE3 LYS 105 2HE LYS 105 20.188 -3.360 -1.485 643 HZ1 LYS 105 3HZ LYS 105 20.541 -4.727 0.388 644 HZ2 LYS 105 1HZ LYS 105 18.926 -5.005 0.630 645 HZ3 LYS 105 2HZ LYS 105 19.583 -3.515 0.905 646 H GLY 106 H GLY 106 14.819 -0.427 -4.612 647 HA2 GLY 106 1HA GLY 106 12.899 -1.448 -5.402 648 HA3 GLY 106 2HA GLY 106 13.504 -3.046 -4.893 649 H TYR 107 H TYR 107 11.159 -2.932 -4.263 650 HA TYR 107 HA TYR 107 10.388 -1.734 -1.748 651 HB3 TYR 107 2HB TYR 107 8.407 -3.118 -2.139 652 HD1 TYR 107 2HD TYR 107 8.524 -0.377 -2.944 653 HD2 TYR 107 1HD TYR 107 8.705 -3.840 -5.542 654 HE1 TYR 107 2HE TYR 107 7.556 0.933 -4.739 655 HE2 TYR 107 1HE TYR 107 7.770 -2.508 -7.371 656 HH TYR 107 HH TYR 107 6.693 0.871 -6.953 657 H GLY 108 H GLY 108 10.773 -2.739 0.272 658 HA2 GLY 108 1HA GLY 108 11.785 -5.528 0.439 659 HA3 GLY 108 2HA GLY 108 12.853 -4.226 0.992 660 HA PRO 109 HA PRO 109 10.322 -4.255 4.771 661 HB3 PRO 109 2HB PRO 109 12.198 -3.254 5.762 662 HG3 PRO 109 2HG PRO 109 13.357 -1.454 4.724 663 HD3 PRO 109 2HD PRO 109 13.465 -3.365 3.296 664 H ALA 110 H ALA 110 8.536 -4.262 3.148 665 HA ALA 110 HA ALA 110 7.102 -1.865 2.478 666 HB1 ALA 110 1HB ALA 110 6.466 -3.991 1.508 667 HB2 ALA 110 2HB ALA 110 6.137 -4.704 3.111 668 HB3 ALA 110 3HB ALA 110 5.114 -3.412 2.476 669 H THR 111 H THR 111 5.136 -1.074 3.548 670 HA THR 111 HA THR 111 5.273 -1.216 6.538 671 HB THR 111 HB THR 111 4.711 1.047 4.626 672 HG1 THR 111 1HG THR 111 6.462 1.924 5.899 673 HG21 THR 111 3HG2 THR 111 3.220 1.664 6.256 674 HG22 THR 111 1HG2 THR 111 4.678 2.434 6.847 675 HG23 THR 111 2HG2 THR 111 4.125 0.915 7.570 676 H GLN 112 H GLN 112 3.408 -1.447 7.664 677 HA GLN 112 HA GLN 112 1.202 -2.648 6.117 678 HB3 GLN 112 2HB GLN 112 1.744 -3.002 9.105 679 HG3 GLN 112 2HG GLN 112 1.054 -5.387 8.292 680 HE21 GLN 112 1HE2 GLN 112 -0.960 -6.197 8.852 681 HE22 GLN 112 2HE2 GLN 112 -2.169 -5.182 9.632 682 H VAL 113 H VAL 113 -0.261 -1.028 5.745 683 HA VAL 113 HA VAL 113 -0.820 0.906 7.960 684 HB VAL 113 HB VAL 113 -0.953 1.128 4.946 685 HG11 VAL 113 1HG1 VAL 113 -1.696 3.404 5.114 686 HG12 VAL 113 2HG1 VAL 113 -2.881 2.382 5.886 687 HG13 VAL 113 3HG1 VAL 113 -1.748 3.323 6.889 688 HG21 VAL 113 3HG2 VAL 113 1.256 1.348 5.750 689 HG22 VAL 113 1HG2 VAL 113 0.742 3.008 5.474 690 HG23 VAL 113 2HG2 VAL 113 0.789 2.380 7.125 691 H ARG 114 H ARG 114 -3.013 1.427 8.313 692 HA ARG 114 HA ARG 114 -4.967 -0.272 6.969 693 HB3 ARG 114 2HB ARG 114 -4.482 -1.630 8.833 694 HG3 ARG 114 2HG ARG 114 -5.178 -0.600 11.185 695 HD3 ARG 114 2HD ARG 114 -2.417 0.134 10.980 696 HE ARG 114 HE ARG 114 -4.039 -1.692 12.426 697 HH11 ARG 114 1HH1 ARG 114 -0.654 -1.557 11.339 698 HH12 ARG 114 2HH1 ARG 114 -0.075 -2.444 12.712 699 HH21 ARG 114 1HH2 ARG 114 -3.267 -2.815 14.216 700 HH22 ARG 114 2HH2 ARG 114 -1.593 -3.305 14.258 701 H TRP 115 H TRP 115 -6.566 0.879 6.273 702 HA TRP 115 HA TRP 115 -6.910 3.675 7.103 703 HB3 TRP 115 2HB TRP 115 -8.487 1.940 5.170 704 HD1 TRP 115 HD TRP 115 -8.255 5.523 6.620 705 HE1 TRP 115 1HE TRP 115 -10.187 6.890 5.701 706 HE3 TRP 115 3HE TRP 115 -10.358 2.134 3.501 707 HZ2 TRP 115 2HZ TRP 115 -11.895 6.838 3.339 708 HZ3 TRP 115 3HZ TRP 115 -11.954 2.867 1.695 709 HH2 TRP 115 HH TRP 115 -12.720 5.215 1.625 710 H LEU 116 H LEU 116 -7.398 3.255 9.306 711 HA LEU 116 HA LEU 116 -9.785 1.856 10.191 712 HB3 LEU 116 2HB LEU 116 -9.461 2.987 12.262 713 HG LEU 116 HG LEU 116 -6.588 2.820 11.237 714 HD11 LEU 116 1HD1 LEU 116 -6.879 4.050 13.369 715 HD12 LEU 116 2HD1 LEU 116 -5.915 2.579 13.519 716 HD13 LEU 116 3HD1 LEU 116 -7.600 2.585 14.079 717 HD21 LEU 116 3HD2 LEU 116 -6.711 0.574 12.651 718 HD22 LEU 116 1HD2 LEU 116 -7.177 0.628 10.966 719 HD23 LEU 116 2HD2 LEU 116 -8.436 0.644 12.230 720 H GLN 117 H GLN 117 -11.870 2.756 10.405 721 HA GLN 117 HA GLN 117 -13.558 4.237 10.491 722 HB3 GLN 117 2HB GLN 117 -11.787 6.643 10.056 723 HG3 GLN 117 2HG GLN 117 -14.179 5.974 11.800 724 HE21 GLN 117 1HE2 GLN 117 -14.809 7.527 13.426 725 HE22 GLN 117 2HE2 GLN 117 -13.622 8.564 14.183 726 H GLU 118 H GLU 118 -12.434 2.957 8.256 727 HA GLU 118 HA GLU 118 -13.104 4.163 5.760 728 HB3 GLU 118 2HB GLU 118 -11.600 2.334 6.139 729 HG3 GLU 118 2HG GLU 118 -12.185 0.239 6.312 730 H THR 119 H THR 119 -14.885 2.868 4.439 731 HA THR 119 HA THR 119 -17.357 2.232 5.862 732 HB THR 119 HB THR 119 -18.529 3.851 4.171 733 HG1 THR 119 1HG THR 119 -16.641 4.589 3.113 734 HG21 THR 119 3HG2 THR 119 -17.111 5.052 6.560 735 HG22 THR 119 1HG2 THR 119 -18.571 4.040 6.652 736 HG23 THR 119 2HG2 THR 119 -18.626 5.601 5.816 737 H SER 120 H SER 120 -18.647 0.758 4.611 738 HA SER 120 HA SER 120 -17.366 -0.805 2.765 739 HB3 SER 120 2HB SER 120 -19.766 -1.610 2.257 740 HG SER 120 HG SER 120 -19.648 -2.807 3.772 741 H LYS 121 H LYS 121 -19.813 1.707 1.948 742 HA LYS 121 HA LYS 121 -20.287 2.839 0.090 743 HB3 LYS 121 2HB LYS 121 -17.896 1.711 -1.372 744 HG3 LYS 121 2HG LYS 121 -19.782 3.529 -2.234 745 HD3 LYS 121 2HD LYS 121 -17.383 4.952 -1.003 746 HE3 LYS 121 2HE LYS 121 -19.375 6.353 -2.749 747 HZ1 LYS 121 3HZ LYS 121 -17.406 7.553 -3.305 748 HZ2 LYS 121 1HZ LYS 121 -16.448 6.613 -2.321 749 HZ3 LYS 121 2HZ LYS 121 -17.633 7.575 -1.680 750 H ASP 122 H ASP 122 -18.959 -0.269 -1.071 751 HA ASP 122 HA ASP 122 -19.556 -1.740 -2.650 752 HB3 ASP 122 2HB ASP 122 -21.799 -2.725 -2.302 753 H SER 123 H SER 123 -19.123 -0.635 -4.591 754 HA SER 123 HA SER 123 -21.410 0.190 -6.148 755 HB3 SER 123 2HB SER 123 -21.297 2.277 -5.085 756 HG SER 123 HG SER 123 -19.052 1.721 -4.355 757 H SER 124 H SER 124 -20.846 -1.129 -7.925 758 HA SER 124 HA SER 124 -18.351 -0.387 -9.339 759 HB3 SER 124 2HB SER 124 -17.626 -2.295 -8.192 760 HG SER 124 HG SER 124 -18.842 -3.782 -7.577 761 H GLY 125 H GLY 125 -18.473 -1.665 -11.672 762 HA2 GLY 125 1HA GLY 125 -21.199 -1.048 -12.764 763 HA3 GLY 125 2HA GLY 125 -19.705 -0.565 -13.558 764 H THR 126 H THR 126 -18.111 -2.613 -13.795 765 HA THR 126 HA THR 126 -19.538 -5.090 -14.448 766 HB THR 126 HB THR 126 -18.020 -5.007 -16.560 767 HG1 THR 126 1HG THR 126 -18.377 -2.339 -16.872 768 HG21 THR 126 3HG2 THR 126 -19.761 -4.074 -17.894 769 HG22 THR 126 1HG2 THR 126 -20.404 -3.123 -16.541 770 HG23 THR 126 2HG2 THR 126 -20.508 -4.896 -16.516 Start of MODEL 2 1 H1 GLY 1 H GLY 1 25.631 -9.586 11.484 2 HA2 GLY 1 1HA GLY 1 24.442 -9.489 8.766 3 HA3 GLY 1 2HA GLY 1 24.236 -10.827 9.915 4 H CYS 2 H CYS 2 22.066 -10.705 10.253 5 HA CYS 2 HA CYS 2 20.060 -10.082 11.020 6 HB3 CYS 2 2HB CYS 2 19.948 -8.738 13.080 7 HG CYS 2 HG CYS 2 20.251 -11.278 13.194 8 H LEU 3 H LEU 3 19.819 -9.164 8.798 9 HA LEU 3 HA LEU 3 19.290 -6.232 8.960 10 HB3 LEU 3 2HB LEU 3 19.840 -5.970 6.667 11 HG LEU 3 HG LEU 3 21.810 -6.365 8.525 12 HD11 LEU 3 1HD1 LEU 3 23.558 -7.794 7.595 13 HD12 LEU 3 2HD1 LEU 3 22.531 -8.220 6.206 14 HD13 LEU 3 3HD1 LEU 3 22.095 -8.778 7.822 15 HD21 LEU 3 3HD2 LEU 3 23.387 -5.444 6.932 16 HD22 LEU 3 1HD2 LEU 3 21.811 -4.644 6.775 17 HD23 LEU 3 2HD2 LEU 3 22.312 -5.852 5.573 18 HA PRO 4 HA PRO 4 15.579 -8.860 7.896 19 HB3 PRO 4 2HB PRO 4 15.612 -9.692 10.112 20 HG3 PRO 4 2HG PRO 4 15.907 -8.235 11.979 21 HD3 PRO 4 2HD PRO 4 17.821 -8.128 10.766 22 H GLY 5 H GLY 5 15.837 -6.634 6.592 23 HA2 GLY 5 1HA GLY 5 13.489 -5.388 6.018 24 HA3 GLY 5 2HA GLY 5 14.093 -4.487 7.427 25 H PHE 6 H PHE 6 13.859 -3.169 5.040 26 HA PHE 6 HA PHE 6 16.650 -2.946 4.032 27 HB3 PHE 6 2HB PHE 6 15.076 -1.391 2.389 28 HD1 PHE 6 1HD PHE 6 16.199 -4.922 3.015 29 HD2 PHE 6 2HD PHE 6 15.023 -1.987 0.047 30 HE1 PHE 6 1HE PHE 6 17.041 -6.352 1.250 31 HE2 PHE 6 2HE PHE 6 15.759 -3.525 -1.729 32 HZ PHE 6 HZ PHE 6 16.764 -5.724 -1.144 33 HA PRO 7 HA PRO 7 16.696 1.148 5.903 34 HB3 PRO 7 2HB PRO 7 19.014 0.920 5.797 35 HG3 PRO 7 2HG PRO 7 20.108 -0.091 4.001 36 HD3 PRO 7 2HD PRO 7 18.548 -1.762 4.527 37 H GLY 8 H GLY 8 15.411 2.821 5.380 38 HA2 GLY 8 1HA GLY 8 14.641 4.631 3.955 39 HA3 GLY 8 2HA GLY 8 14.786 3.544 2.550 40 H ALA 9 H ALA 9 12.259 4.742 3.048 41 HA ALA 9 HA ALA 9 10.545 2.503 3.061 42 HB1 ALA 9 1HB ALA 9 10.386 4.289 5.541 43 HB2 ALA 9 2HB ALA 9 9.186 3.076 5.060 44 HB3 ALA 9 3HB ALA 9 10.795 2.547 5.520 45 HA PRO 10 HA PRO 10 7.875 6.177 1.974 46 HB3 PRO 10 2HB PRO 10 6.174 5.059 0.917 47 HG3 PRO 10 2HG PRO 10 6.434 2.818 0.915 48 HD3 PRO 10 2HD PRO 10 8.547 2.449 1.596 49 H CYS 11 H CYS 11 7.034 7.728 3.387 50 HA CYS 11 HA CYS 11 6.482 7.007 6.203 51 HB3 CYS 11 2HB CYS 11 7.991 9.016 6.763 52 HG CYS 11 HG CYS 11 8.929 6.868 7.535 53 H ALA 12 H ALA 12 5.965 9.127 7.244 54 HA ALA 12 HA ALA 12 4.194 10.477 7.761 55 HB1 ALA 12 1HB ALA 12 5.152 12.032 5.352 56 HB2 ALA 12 2HB ALA 12 4.410 12.654 6.830 57 HB3 ALA 12 3HB ALA 12 6.027 11.945 6.904 58 H ILE 13 H ILE 13 3.316 8.330 5.952 59 HA ILE 13 HA ILE 13 1.605 9.070 3.918 60 HB ILE 13 HB ILE 13 1.224 6.799 5.911 61 HG13 ILE 13 2HG1 ILE 13 3.206 7.208 3.732 62 HG21 ILE 13 1HG2 ILE 13 -0.795 7.044 4.549 63 HG22 ILE 13 2HG2 ILE 13 0.170 7.159 3.067 64 HG23 ILE 13 3HG2 ILE 13 0.088 5.641 3.973 65 HD11 ILE 13 3HD1 ILE 13 2.948 5.085 5.914 66 HD12 ILE 13 1HD1 ILE 13 4.363 5.368 4.892 67 HD13 ILE 13 2HD1 ILE 13 3.873 6.595 6.083 68 H LYS 14 H LYS 14 -0.646 9.664 3.819 69 HA LYS 14 HA LYS 14 -2.222 9.869 6.293 70 HB3 LYS 14 2HB LYS 14 -3.013 12.016 5.607 71 HG3 LYS 14 2HG LYS 14 0.009 12.020 5.846 72 HD3 LYS 14 2HD LYS 14 -0.605 14.522 6.567 73 HE3 LYS 14 2HE LYS 14 0.016 15.348 4.279 74 HZ1 LYS 14 3HZ LYS 14 1.729 14.618 5.912 75 HZ2 LYS 14 1HZ LYS 14 2.189 14.617 4.347 76 HZ3 LYS 14 2HZ LYS 14 1.857 13.185 5.104 77 H ILE 15 H ILE 15 -4.496 9.618 5.802 78 HA ILE 15 HA ILE 15 -5.325 9.303 3.038 79 HB ILE 15 HB ILE 15 -5.913 7.164 5.140 80 HG13 ILE 15 2HG1 ILE 15 -3.590 6.962 4.497 81 HG21 ILE 15 1HG2 ILE 15 -6.558 7.117 2.161 82 HG22 ILE 15 2HG2 ILE 15 -7.011 5.910 3.361 83 HG23 ILE 15 3HG2 ILE 15 -7.711 7.514 3.415 84 HD11 ILE 15 3HD1 ILE 15 -5.091 4.814 2.973 85 HD12 ILE 15 1HD1 ILE 15 -3.445 4.734 3.600 86 HD13 ILE 15 2HD1 ILE 15 -4.814 4.808 4.730 87 H SER 16 H SER 16 -7.462 9.849 2.867 88 HA SER 16 HA SER 16 -9.188 10.218 5.206 89 HB3 SER 16 2HB SER 16 -9.869 12.541 4.325 90 HG SER 16 HG SER 16 -7.556 13.306 5.201 91 H LYS 17 H LYS 17 -11.472 10.307 4.548 92 HA LYS 17 HA LYS 17 -11.978 8.891 2.023 93 HB3 LYS 17 2HB LYS 17 -14.404 9.918 3.139 94 HG3 LYS 17 2HG LYS 17 -13.599 7.179 3.795 95 HD3 LYS 17 2HD LYS 17 -15.952 8.326 4.064 96 HE3 LYS 17 2HE LYS 17 -15.847 7.626 1.079 97 HZ1 LYS 17 3HZ LYS 17 -18.210 8.226 2.770 98 HZ2 LYS 17 1HZ LYS 17 -17.823 6.763 2.064 99 HZ3 LYS 17 2HZ LYS 17 -18.194 8.027 1.107 100 H SER 18 H SER 18 -13.710 9.711 0.461 101 HA SER 18 HA SER 18 -14.181 12.560 0.306 102 HB3 SER 18 2HB SER 18 -13.361 12.593 -2.091 103 HG SER 18 HG SER 18 -11.828 12.487 0.174 104 HA PRO 19 HA PRO 19 -17.933 10.661 -1.305 105 HB3 PRO 19 2HB PRO 19 -18.859 12.790 -1.470 106 HG3 PRO 19 2HG PRO 19 -17.608 14.619 -2.424 107 HD3 PRO 19 2HD PRO 19 -16.235 13.796 -0.685 108 H ASP 20 H ASP 20 -15.412 11.639 -3.534 109 HA ASP 20 HA ASP 20 -16.264 10.054 -5.786 110 HB3 ASP 20 2HB ASP 20 -13.445 11.112 -5.317 111 H GLY 21 H GLY 21 -13.441 9.808 -3.568 112 HA2 GLY 21 1HA GLY 21 -13.324 6.873 -3.688 113 HA3 GLY 21 2HA GLY 21 -12.047 7.806 -4.490 114 H ALA 22 H ALA 22 -10.397 7.232 -2.974 115 HA ALA 22 HA ALA 22 -10.691 8.443 -0.243 116 HB1 ALA 22 1HB ALA 22 -10.396 6.001 -0.115 117 HB2 ALA 22 2HB ALA 22 -8.938 6.117 -1.120 118 HB3 ALA 22 3HB ALA 22 -8.965 6.855 0.497 119 H HIS 23 H HIS 23 -9.204 9.970 0.276 120 HA HIS 23 HA HIS 23 -7.282 11.058 -1.680 121 HB3 HIS 23 2HB HIS 23 -6.849 12.057 0.955 122 HD1 HIS 23 1HD HIS 23 -9.816 13.540 -0.998 123 HD2 HIS 23 2HD HIS 23 -5.667 13.948 -0.396 124 HE1 HIS 23 1HE HIS 23 -9.155 15.760 -2.004 125 H LEU 24 H LEU 24 -5.056 10.534 -1.574 126 HA LEU 24 HA LEU 24 -4.033 9.222 0.843 127 HB3 LEU 24 2HB LEU 24 -2.713 7.638 -0.635 128 HG LEU 24 HG LEU 24 -4.955 7.202 0.806 129 HD11 LEU 24 1HD1 LEU 24 -6.514 5.791 -0.396 130 HD12 LEU 24 2HD1 LEU 24 -5.567 5.957 -1.896 131 HD13 LEU 24 3HD1 LEU 24 -6.421 7.354 -1.222 132 HD21 LEU 24 3HD2 LEU 24 -3.443 5.167 -0.813 133 HD22 LEU 24 1HD2 LEU 24 -4.466 4.809 0.601 134 HD23 LEU 24 2HD2 LEU 24 -2.998 5.801 0.796 135 H THR 25 H THR 25 -1.966 9.775 1.282 136 HA THR 25 HA THR 25 -0.293 11.051 -0.791 137 HB THR 25 HB THR 25 0.135 13.008 0.656 138 HG1 THR 25 1HG THR 25 -1.607 11.593 2.262 139 HG21 THR 25 3HG2 THR 25 -1.892 14.267 0.434 140 HG22 THR 25 1HG2 THR 25 -2.889 12.808 0.401 141 HG23 THR 25 2HG2 THR 25 -1.825 13.198 -0.980 142 H TRP 26 H TRP 26 1.956 11.089 -0.106 143 HA TRP 26 HA TRP 26 2.796 9.820 2.361 144 HB3 TRP 26 2HB TRP 26 3.725 7.856 1.566 145 HD1 TRP 26 HD TRP 26 2.120 5.893 1.605 146 HE1 TRP 26 1HE TRP 26 0.076 5.046 0.294 147 HE3 TRP 26 3HE TRP 26 1.880 9.540 -1.958 148 HZ2 TRP 26 2HZ TRP 26 -1.450 5.851 -1.943 149 HZ3 TRP 26 3HZ TRP 26 0.027 9.494 -3.640 150 HH2 TRP 26 HH TRP 26 -1.638 7.730 -3.609 151 H GLU 27 H GLU 27 5.331 9.743 2.327 152 HA GLU 27 HA GLU 27 6.579 11.619 0.418 153 HB3 GLU 27 2HB GLU 27 7.473 12.802 2.611 154 HG3 GLU 27 2HG GLU 27 4.578 13.450 2.125 155 HA PRO 28 HA PRO 28 10.138 9.055 1.042 156 HB3 PRO 28 2HB PRO 28 11.350 10.433 -0.346 157 HG3 PRO 28 2HG PRO 28 11.131 12.816 -0.225 158 HD3 PRO 28 2HD PRO 28 8.980 11.840 -0.513 159 HA PRO 29 HA PRO 29 11.275 8.763 5.322 160 HB3 PRO 29 2HB PRO 29 12.090 6.661 4.654 161 HG3 PRO 29 2HG PRO 29 13.633 6.459 2.823 162 HD3 PRO 29 2HD PRO 29 11.766 7.496 1.866 163 H SER 30 H SER 30 13.034 9.233 6.998 164 HA SER 30 HA SER 30 14.762 11.538 6.245 165 HB3 SER 30 2HB SER 30 13.475 11.344 8.963 166 HG SER 30 HG SER 30 13.533 13.498 8.798 167 H VAL 31 H VAL 31 15.485 8.659 6.569 168 HA VAL 31 HA VAL 31 16.955 8.713 9.141 169 HB VAL 31 HB VAL 31 15.770 6.209 7.999 170 HG11 VAL 31 1HG1 VAL 31 17.252 6.148 10.045 171 HG12 VAL 31 2HG1 VAL 31 16.098 7.197 10.873 172 HG13 VAL 31 3HG1 VAL 31 15.618 5.559 10.376 173 HG21 VAL 31 3HG2 VAL 31 13.772 7.441 7.914 174 HG22 VAL 31 1HG2 VAL 31 13.716 6.607 9.467 175 HG23 VAL 31 2HG2 VAL 31 14.147 8.332 9.411 176 H THR 32 H THR 32 17.129 7.994 5.745 177 HA THR 32 HA THR 32 19.916 7.689 5.753 178 HB THR 32 HB THR 32 19.305 5.377 6.448 179 HG1 THR 32 1HG THR 32 20.121 4.499 4.166 180 HG21 THR 32 3HG2 THR 32 16.996 5.412 5.285 181 HG22 THR 32 1HG2 THR 32 17.921 3.941 5.252 182 HG23 THR 32 2HG2 THR 32 17.871 4.982 3.807 183 H SER 33 H SER 33 20.588 7.585 3.436 184 HA SER 33 HA SER 33 18.926 9.182 1.761 185 HB3 SER 33 2HB SER 33 20.805 9.252 0.346 186 HG SER 33 HG SER 33 22.071 10.044 1.785 187 H GLY 34 H GLY 34 20.342 5.927 1.020 188 HA2 GLY 34 1HA GLY 34 19.590 4.289 -0.409 189 HA3 GLY 34 2HA GLY 34 17.941 4.951 -0.316 190 H LYS 35 H LYS 35 18.458 4.396 -2.760 191 HA LYS 35 HA LYS 35 18.654 7.100 -3.935 192 HB3 LYS 35 2HB LYS 35 19.455 6.020 -6.052 193 HG3 LYS 35 2HG LYS 35 21.513 5.655 -3.842 194 HD3 LYS 35 2HD LYS 35 22.071 5.326 -6.279 195 HE3 LYS 35 2HE LYS 35 21.263 8.263 -6.261 196 HZ1 LYS 35 3HZ LYS 35 23.315 8.452 -7.304 197 HZ2 LYS 35 1HZ LYS 35 22.204 8.368 -8.505 198 HZ3 LYS 35 2HZ LYS 35 23.110 7.046 -8.199 199 H ILE 36 H ILE 36 16.442 7.218 -3.633 200 HA ILE 36 HA ILE 36 14.625 5.151 -4.635 201 HB ILE 36 HB ILE 36 14.311 7.836 -3.273 202 HG13 ILE 36 2HG1 ILE 36 13.500 4.962 -2.637 203 HG21 ILE 36 1HG2 ILE 36 11.904 7.638 -3.359 204 HG22 ILE 36 2HG2 ILE 36 12.526 7.793 -4.980 205 HG23 ILE 36 3HG2 ILE 36 11.998 6.192 -4.391 206 HD11 ILE 36 3HD1 ILE 36 15.765 5.312 -1.821 207 HD12 ILE 36 1HD1 ILE 36 15.314 6.888 -1.120 208 HD13 ILE 36 2HD1 ILE 36 14.654 5.384 -0.455 209 H ILE 37 H ILE 37 13.291 5.405 -6.447 210 HA ILE 37 HA ILE 37 13.886 7.591 -8.342 211 HB ILE 37 HB ILE 37 13.804 5.864 -10.131 212 HG13 ILE 37 2HG1 ILE 37 12.750 4.026 -8.871 213 HG21 ILE 37 1HG2 ILE 37 16.145 5.473 -8.210 214 HG22 ILE 37 2HG2 ILE 37 16.169 5.288 -9.972 215 HG23 ILE 37 3HG2 ILE 37 15.931 6.879 -9.265 216 HD11 ILE 37 3HD1 ILE 37 13.948 2.183 -9.756 217 HD12 ILE 37 1HD1 ILE 37 14.167 3.526 -10.903 218 HD13 ILE 37 2HD1 ILE 37 15.478 3.074 -9.784 219 H GLU 38 H GLU 38 11.521 5.342 -6.855 220 HA GLU 38 HA GLU 38 9.334 6.919 -7.721 221 HB3 GLU 38 2HB GLU 38 8.542 4.405 -8.744 222 HG3 GLU 38 2HG GLU 38 8.826 7.105 -9.779 223 H TYR 39 H TYR 39 7.245 5.251 -7.106 224 HA TYR 39 HA TYR 39 7.873 3.531 -4.829 225 HB3 TYR 39 2HB TYR 39 5.770 4.688 -3.719 226 HD1 TYR 39 2HD TYR 39 8.609 7.075 -4.228 227 HD2 TYR 39 1HD TYR 39 6.812 4.114 -1.685 228 HE1 TYR 39 2HE TYR 39 10.032 7.827 -2.365 229 HE2 TYR 39 1HE TYR 39 8.417 4.682 0.093 230 HH TYR 39 HH TYR 39 10.121 6.249 0.860 231 H SER 40 H SER 40 5.774 2.306 -4.229 232 HA SER 40 HA SER 40 3.567 2.536 -6.059 233 HB3 SER 40 2HB SER 40 3.593 0.032 -6.609 234 HG SER 40 HG SER 40 5.232 2.022 -7.684 235 H VAL 41 H VAL 41 1.744 1.172 -5.454 236 HA VAL 41 HA VAL 41 1.754 0.506 -2.550 237 HB VAL 41 HB VAL 41 -0.531 1.721 -4.161 238 HG11 VAL 41 3HG2 VAL 41 -1.477 2.088 -1.858 239 HG12 VAL 41 1HG2 VAL 41 -1.406 0.432 -2.386 240 HG13 VAL 41 2HG2 VAL 41 -0.208 1.038 -1.229 241 HG21 VAL 41 1HG1 VAL 41 1.213 3.463 -3.935 242 HG22 VAL 41 2HG1 VAL 41 -0.196 3.827 -2.968 243 HG23 VAL 41 3HG1 VAL 41 1.268 3.191 -2.190 244 H TYR 42 H TYR 42 0.669 -1.322 -2.019 245 HA TYR 42 HA TYR 42 -0.380 -3.089 -4.153 246 HB3 TYR 42 2HB TYR 42 0.957 -4.784 -3.383 247 HD1 TYR 42 1HD TYR 42 2.280 -3.731 -5.263 248 HD2 TYR 42 2HD TYR 42 2.937 -2.833 -1.098 249 HE1 TYR 42 1HE TYR 42 4.516 -2.797 -5.820 250 HE2 TYR 42 2HE TYR 42 5.117 -1.828 -1.641 251 HH TYR 42 HH TYR 42 6.515 -1.898 -4.932 252 H LEU 43 H LEU 43 -2.523 -3.510 -3.806 253 HA LEU 43 HA LEU 43 -3.633 -3.281 -1.050 254 HB3 LEU 43 2HB LEU 43 -5.022 -3.238 -3.755 255 HG LEU 43 HG LEU 43 -6.355 -4.190 -1.777 256 HD11 LEU 43 1HD1 LEU 43 -5.420 -2.559 -0.049 257 HD12 LEU 43 2HD1 LEU 43 -7.167 -2.723 -0.126 258 HD13 LEU 43 3HD1 LEU 43 -6.392 -1.295 -0.852 259 HD21 LEU 43 3HD2 LEU 43 -7.252 -1.728 -3.294 260 HD22 LEU 43 1HD2 LEU 43 -8.319 -2.586 -2.188 261 HD23 LEU 43 2HD2 LEU 43 -7.658 -3.440 -3.567 262 H ALA 44 H ALA 44 -4.117 -5.196 -0.089 263 HA ALA 44 HA ALA 44 -3.478 -7.695 -1.486 264 HB1 ALA 44 1HB ALA 44 -4.271 -7.052 1.381 265 HB2 ALA 44 2HB ALA 44 -3.884 -8.671 0.780 266 HB3 ALA 44 3HB ALA 44 -2.630 -7.421 0.763 267 H ILE 45 H ILE 45 -5.271 -7.428 -3.055 268 HA ILE 45 HA ILE 45 -8.029 -7.607 -2.225 269 HB ILE 45 HB ILE 45 -8.448 -8.067 -4.560 270 HG13 ILE 45 2HG1 ILE 45 -6.379 -9.572 -4.900 271 HG21 ILE 45 1HG2 ILE 45 -6.317 -5.900 -4.320 272 HG22 ILE 45 2HG2 ILE 45 -7.689 -5.973 -5.454 273 HG23 ILE 45 3HG2 ILE 45 -7.975 -5.756 -3.734 274 HD11 ILE 45 3HD1 ILE 45 -8.007 -9.015 -6.636 275 HD12 ILE 45 1HD1 ILE 45 -7.121 -7.555 -7.045 276 HD13 ILE 45 2HD1 ILE 45 -6.356 -9.140 -7.284 277 H GLN 46 H GLN 46 -9.358 -9.548 -3.328 278 HA GLN 46 HA GLN 46 -8.452 -12.028 -2.020 279 HB3 GLN 46 2HB GLN 46 -10.793 -11.877 -3.931 280 HG3 GLN 46 2HG GLN 46 -11.839 -13.362 -2.277 281 HE21 GLN 46 1HE2 GLN 46 -8.761 -14.663 -1.444 282 HE22 GLN 46 2HE2 GLN 46 -8.603 -15.794 -2.763 283 H SER 47 H SER 47 -6.831 -13.101 -3.113 284 HA SER 47 HA SER 47 -7.230 -14.036 -5.729 285 HB3 SER 47 2HB SER 47 -4.811 -12.200 -5.589 286 HG SER 47 HG SER 47 -6.465 -13.143 -7.722 287 H SER 48 H SER 48 -5.304 -15.299 -6.471 288 HA SER 48 HA SER 48 -2.971 -15.473 -4.846 289 HB3 SER 48 2HB SER 48 -4.105 -17.138 -3.592 290 HG SER 48 HG SER 48 -4.632 -18.921 -5.547 291 H GLN 49 H GLN 49 -1.812 -14.742 -6.601 292 HA GLN 49 HA GLN 49 -1.296 -16.481 -8.732 293 HB3 GLN 49 2HB GLN 49 -2.597 -13.833 -9.559 294 HG3 GLN 49 2HG GLN 49 -1.239 -14.628 -11.380 295 HE21 GLN 49 1HE2 GLN 49 -3.641 -17.340 -11.403 296 HE22 GLN 49 2HE2 GLN 49 -2.447 -18.606 -11.446 297 H ALA 50 H ALA 50 0.498 -15.585 -10.002 298 HA ALA 50 HA ALA 50 2.448 -14.569 -10.352 299 HB1 ALA 50 1HB ALA 50 1.560 -12.230 -8.632 300 HB2 ALA 50 2HB ALA 50 2.924 -12.277 -9.748 301 HB3 ALA 50 3HB ALA 50 1.286 -12.401 -10.388 302 H SER 51 H SER 51 4.388 -13.461 -8.859 303 HA SER 51 HA SER 51 4.985 -14.702 -6.393 304 HB3 SER 51 2HB SER 51 5.962 -16.018 -8.985 305 HG SER 51 HG SER 51 6.938 -17.475 -7.692 306 H GLY 52 H GLY 52 6.866 -13.480 -5.800 307 HA2 GLY 52 1HA GLY 52 9.027 -12.721 -7.325 308 HA3 GLY 52 2HA GLY 52 7.813 -11.523 -7.763 309 H GLU 53 H GLU 53 9.977 -12.619 -5.352 310 HA GLU 53 HA GLU 53 9.338 -10.329 -3.504 311 HB3 GLU 53 2HB GLU 53 10.370 -11.888 -1.789 312 HG3 GLU 53 2HG GLU 53 7.852 -11.740 -2.151 313 HA PRO 54 HA PRO 54 13.430 -8.909 -4.334 314 HB3 PRO 54 2HB PRO 54 13.222 -7.257 -2.777 315 HG3 PRO 54 2HG PRO 54 11.970 -7.643 -0.796 316 HD3 PRO 54 2HD PRO 54 10.565 -8.547 -2.434 317 H LYS 55 H LYS 55 15.762 -9.015 -3.846 318 HA LYS 55 HA LYS 55 16.876 -11.586 -3.775 319 HB3 LYS 55 2HB LYS 55 19.072 -10.430 -3.377 320 HG3 LYS 55 2HG LYS 55 17.476 -8.898 -5.399 321 HD3 LYS 55 2HD LYS 55 20.469 -9.371 -4.985 322 HE3 LYS 55 2HE LYS 55 18.796 -8.047 -7.120 323 HZ1 LYS 55 3HZ LYS 55 20.833 -7.145 -7.980 324 HZ2 LYS 55 1HZ LYS 55 21.720 -7.716 -6.736 325 HZ3 LYS 55 2HZ LYS 55 20.595 -6.539 -6.469 326 H SER 56 H SER 56 15.588 -10.086 -1.098 327 HA SER 56 HA SER 56 17.313 -10.941 0.998 328 HB3 SER 56 2HB SER 56 15.370 -10.563 2.422 329 HG SER 56 HG SER 56 16.440 -8.768 1.450 330 H SER 57 H SER 57 15.490 -12.840 -1.212 331 HA SER 57 HA SER 57 15.191 -15.058 -1.410 332 HB3 SER 57 2HB SER 57 17.240 -16.289 -1.040 333 HG SER 57 HG SER 57 18.020 -13.629 -1.646 334 H THR 58 H THR 58 13.353 -14.709 0.233 335 HA THR 58 HA THR 58 13.666 -16.734 2.354 336 HB THR 58 HB THR 58 13.767 -14.781 3.615 337 HG1 THR 58 1HG THR 58 12.168 -15.868 4.597 338 HG21 THR 58 3HG2 THR 58 11.553 -13.540 1.937 339 HG22 THR 58 1HG2 THR 58 13.271 -13.054 1.934 340 HG23 THR 58 2HG2 THR 58 12.304 -12.820 3.380 341 HA PRO 59 HA PRO 59 9.914 -18.159 0.397 342 HB3 PRO 59 2HB PRO 59 10.482 -20.258 1.103 343 HG3 PRO 59 2HG PRO 59 11.543 -20.629 3.194 344 HD3 PRO 59 2HD PRO 59 12.867 -18.968 2.208 345 H ALA 60 H ALA 60 8.529 -16.374 0.435 346 HA ALA 60 HA ALA 60 6.407 -16.319 2.398 347 HB1 ALA 60 1HB ALA 60 6.856 -13.929 3.047 348 HB2 ALA 60 2HB ALA 60 7.972 -15.112 3.768 349 HB3 ALA 60 3HB ALA 60 8.497 -14.129 2.384 350 H GLN 61 H GLN 61 5.256 -16.638 0.409 351 HA GLN 61 HA GLN 61 5.537 -14.613 -1.738 352 HB3 GLN 61 2HB GLN 61 3.864 -16.164 -2.894 353 HG3 GLN 61 2HG GLN 61 6.604 -17.028 -1.950 354 HE21 GLN 61 1HE2 GLN 61 4.316 -17.783 -4.746 355 HE22 GLN 61 2HE2 GLN 61 4.988 -19.393 -4.963 356 H LEU 62 H LEU 62 3.957 -13.230 -2.381 357 HA LEU 62 HA LEU 62 1.683 -12.836 -0.584 358 HB3 LEU 62 2HB LEU 62 1.876 -10.596 -0.556 359 HG LEU 62 HG LEU 62 3.961 -11.737 0.493 360 HD11 LEU 62 1HD1 LEU 62 6.087 -10.775 -0.641 361 HD12 LEU 62 2HD1 LEU 62 5.030 -10.583 -2.077 362 HD13 LEU 62 3HD1 LEU 62 5.311 -12.175 -1.364 363 HD21 LEU 62 3HD2 LEU 62 3.159 -9.327 0.942 364 HD22 LEU 62 1HD2 LEU 62 4.317 -8.808 -0.292 365 HD23 LEU 62 2HD2 LEU 62 4.894 -9.609 1.172 366 H ALA 63 H ALA 63 0.135 -11.216 -1.729 367 HA ALA 63 HA ALA 63 -0.121 -11.420 -4.639 368 HB1 ALA 63 1HB ALA 63 -2.462 -12.279 -4.588 369 HB2 ALA 63 2HB ALA 63 -1.286 -13.483 -4.036 370 HB3 ALA 63 3HB ALA 63 -2.293 -12.621 -2.851 371 H PHE 64 H PHE 64 -0.591 -9.341 -5.226 372 HA PHE 64 HA PHE 64 -2.652 -7.887 -3.726 373 HB3 PHE 64 2HB PHE 64 -1.425 -5.852 -3.616 374 HD1 PHE 64 1HD PHE 64 1.645 -7.834 -3.884 375 HD2 PHE 64 2HD PHE 64 -1.277 -6.230 -1.097 376 HE1 PHE 64 1HE PHE 64 3.276 -7.959 -2.074 377 HE2 PHE 64 2HE PHE 64 0.322 -6.552 0.710 378 HZ PHE 64 HZ PHE 64 2.620 -7.279 0.253 379 H MET 65 H MET 65 -3.392 -6.002 -5.076 380 HA MET 65 HA MET 65 -3.571 -6.726 -7.924 381 HB3 MET 65 2HB MET 65 -4.957 -4.577 -6.291 382 HG3 MET 65 2HG MET 65 -6.876 -5.432 -7.901 383 HE1 MET 65 3HE MET 65 -7.883 -3.989 -9.948 384 HE2 MET 65 1HE MET 65 -8.336 -3.482 -8.321 385 HE3 MET 65 2HE MET 65 -7.870 -2.254 -9.522 386 H ARG 66 H ARG 66 -1.564 -4.738 -6.172 387 HA ARG 66 HA ARG 66 -0.671 -2.627 -6.307 388 HB3 ARG 66 2HB ARG 66 0.012 -3.665 -9.061 389 HG3 ARG 66 2HG ARG 66 1.015 -1.357 -7.363 390 HD3 ARG 66 2HD ARG 66 2.937 -2.820 -7.326 391 HE ARG 66 HE ARG 66 3.144 -4.285 -9.029 392 HH11 ARG 66 1HH1 ARG 66 2.997 -1.043 -10.395 393 HH12 ARG 66 2HH1 ARG 66 2.939 -1.520 -12.038 394 HH21 ARG 66 1HH2 ARG 66 2.824 -5.050 -11.216 395 HH22 ARG 66 2HH2 ARG 66 2.594 -3.879 -12.483 396 H VAL 67 H VAL 67 -2.655 -1.551 -6.006 397 HA VAL 67 HA VAL 67 -4.302 -0.597 -8.121 398 HB VAL 67 HB VAL 67 -5.129 0.987 -6.302 399 HG11 VAL 67 1HG1 VAL 67 -6.173 -0.814 -5.019 400 HG12 VAL 67 2HG1 VAL 67 -6.169 -1.129 -6.760 401 HG13 VAL 67 3HG1 VAL 67 -5.017 -1.987 -5.703 402 HG21 VAL 67 3HG2 VAL 67 -3.225 -0.556 -4.459 403 HG22 VAL 67 1HG2 VAL 67 -3.043 1.144 -4.931 404 HG23 VAL 67 2HG2 VAL 67 -4.445 0.636 -4.000 405 H TYR 68 H TYR 68 -1.146 0.497 -7.188 406 HA TYR 68 HA TYR 68 -1.703 3.232 -8.228 407 HB3 TYR 68 2HB TYR 68 0.229 2.346 -6.106 408 HD1 TYR 68 1HD TYR 68 2.091 3.549 -7.116 409 HD2 TYR 68 2HD TYR 68 -1.666 5.518 -6.465 410 HE1 TYR 68 1HE TYR 68 3.170 5.684 -7.518 411 HE2 TYR 68 2HE TYR 68 -0.578 7.711 -6.750 412 HH TYR 68 HH TYR 68 2.670 7.944 -8.164 413 H CYS 69 H CYS 69 -0.942 3.467 -10.081 414 HA CYS 69 HA CYS 69 1.962 3.280 -10.418 415 HB3 CYS 69 2HB CYS 69 1.563 3.038 -12.903 416 HG CYS 69 HG CYS 69 0.978 0.476 -13.171 417 H GLY 70 H GLY 70 2.651 5.490 -10.911 418 HA2 GLY 70 1HA GLY 70 1.490 7.179 -12.620 419 HA3 GLY 70 2HA GLY 70 0.545 7.530 -11.163 420 HA PRO 71 HA PRO 71 4.872 9.540 -11.234 421 HB3 PRO 71 2HB PRO 71 4.699 10.424 -13.398 422 HG3 PRO 71 2HG PRO 71 2.634 11.300 -14.232 423 HD3 PRO 71 2HD PRO 71 2.335 9.011 -13.682 424 H SER 72 H SER 72 1.759 10.685 -10.181 425 HA SER 72 HA SER 72 2.966 12.805 -8.495 426 HB3 SER 72 2HB SER 72 0.659 13.728 -8.427 427 HG SER 72 HG SER 72 1.921 14.635 -9.955 428 HA PRO 73 HA PRO 73 1.733 9.600 -5.401 429 HB3 PRO 73 2HB PRO 73 3.936 8.909 -5.244 430 HG3 PRO 73 2HG PRO 73 5.753 10.489 -5.466 431 HD3 PRO 73 2HD PRO 73 4.486 10.526 -7.440 432 H SER 74 H SER 74 0.184 11.651 -5.493 433 HA SER 74 HA SER 74 -0.264 12.042 -2.666 434 HB3 SER 74 2HB SER 74 1.043 13.990 -2.913 435 HG SER 74 HG SER 74 -0.480 14.612 -5.238 436 H CYS 75 H CYS 75 -1.404 10.891 -5.367 437 HA CYS 75 HA CYS 75 -3.806 12.471 -5.803 438 HB3 CYS 75 2HB CYS 75 -4.033 10.791 -7.684 439 HG CYS 75 HG CYS 75 -2.005 11.492 -9.174 440 H LEU 76 H LEU 76 -5.852 11.446 -6.178 441 HA LEU 76 HA LEU 76 -6.865 9.954 -3.939 442 HB3 LEU 76 2HB LEU 76 -8.056 10.792 -6.616 443 HG LEU 76 HG LEU 76 -9.399 9.348 -4.464 444 HD11 LEU 76 1HD1 LEU 76 -9.763 11.558 -3.474 445 HD12 LEU 76 2HD1 LEU 76 -11.272 10.831 -4.069 446 HD13 LEU 76 3HD1 LEU 76 -10.480 12.116 -5.017 447 HD21 LEU 76 3HD2 LEU 76 -11.256 9.332 -6.062 448 HD22 LEU 76 1HD2 LEU 76 -9.736 8.979 -6.896 449 HD23 LEU 76 2HD2 LEU 76 -10.459 10.587 -7.027 450 H VAL 77 H VAL 77 -8.144 7.928 -4.228 451 HA VAL 77 HA VAL 77 -7.434 6.241 -6.567 452 HB VAL 77 HB VAL 77 -7.675 5.350 -3.663 453 HG11 VAL 77 1HG1 VAL 77 -8.663 3.657 -5.141 454 HG12 VAL 77 2HG1 VAL 77 -7.241 3.730 -6.211 455 HG13 VAL 77 3HG1 VAL 77 -7.093 3.098 -4.561 456 HG21 VAL 77 3HG2 VAL 77 -5.328 5.286 -5.616 457 HG22 VAL 77 1HG2 VAL 77 -5.464 6.333 -4.188 458 HG23 VAL 77 2HG2 VAL 77 -5.346 4.581 -3.987 459 H GLN 78 H GLN 78 -9.227 5.721 -7.668 460 HA GLN 78 HA GLN 78 -11.817 6.612 -6.891 461 HB3 GLN 78 2HB GLN 78 -12.541 5.199 -8.893 462 HG3 GLN 78 2HG GLN 78 -10.206 7.090 -9.349 463 HE21 GLN 78 1HE2 GLN 78 -13.201 6.685 -11.348 464 HE22 GLN 78 2HE2 GLN 78 -12.330 6.063 -12.726 465 H SER 79 H SER 79 -13.695 5.320 -6.683 466 HA SER 79 HA SER 79 -13.723 3.117 -4.908 467 HB3 SER 79 2HB SER 79 -15.903 3.580 -6.956 468 HG SER 79 HG SER 79 -16.992 3.572 -4.739 469 H SER 80 H SER 80 -13.577 3.244 -8.529 470 HA SER 80 HA SER 80 -13.856 0.579 -9.119 471 HB3 SER 80 2HB SER 80 -12.986 1.191 -11.214 472 HG SER 80 HG SER 80 -13.928 3.261 -11.531 473 H SER 81 H SER 81 -11.227 1.917 -7.296 474 HA SER 81 HA SER 81 -9.689 -0.634 -7.627 475 HB3 SER 81 2HB SER 81 -7.724 0.717 -6.930 476 HG SER 81 HG SER 81 -8.906 2.045 -9.163 477 H LEU 82 H LEU 82 -11.913 0.750 -5.653 478 HA LEU 82 HA LEU 82 -10.666 -0.375 -3.163 479 HB3 LEU 82 2HB LEU 82 -12.315 1.145 -1.987 480 HG LEU 82 HG LEU 82 -10.088 2.284 -3.704 481 HD11 LEU 82 1HD1 LEU 82 -10.330 4.476 -2.737 482 HD12 LEU 82 2HD1 LEU 82 -11.746 3.970 -1.796 483 HD13 LEU 82 3HD1 LEU 82 -11.830 4.067 -3.568 484 HD21 LEU 82 3HD2 LEU 82 -10.489 2.228 -0.686 485 HD22 LEU 82 1HD2 LEU 82 -9.026 2.700 -1.563 486 HD23 LEU 82 2HD2 LEU 82 -9.577 1.001 -1.596 487 H SER 83 H SER 83 -13.271 -0.777 -5.498 488 HA SER 83 HA SER 83 -15.111 -2.245 -3.942 489 HB3 SER 83 2HB SER 83 -15.319 -3.461 -6.335 490 HG SER 83 HG SER 83 -16.974 -2.292 -6.075 491 H ASN 84 H ASN 84 -12.486 -3.593 -6.034 492 HA ASN 84 HA ASN 84 -12.949 -6.261 -5.065 493 HB3 ASN 84 2HB ASN 84 -11.160 -7.014 -6.436 494 HD21 ASN 84 1HD2 ASN 84 -10.353 -5.414 -8.861 495 HD22 ASN 84 2HD2 ASN 84 -11.857 -4.939 -9.647 496 H ALA 85 H ALA 85 -11.958 -4.100 -2.999 497 HA ALA 85 HA ALA 85 -9.324 -4.903 -2.144 498 HB1 ALA 85 1HB ALA 85 -10.481 -2.709 -1.516 499 HB2 ALA 85 2HB ALA 85 -11.645 -3.653 -0.575 500 HB3 ALA 85 3HB ALA 85 -9.934 -3.643 -0.106 501 H HIS 86 H HIS 86 -9.029 -5.884 -0.015 502 HA HIS 86 HA HIS 86 -11.171 -7.748 0.759 503 HB3 HIS 86 2HB HIS 86 -8.500 -8.816 1.349 504 HD1 HIS 86 1HD HIS 86 -9.339 -11.044 2.486 505 HD2 HIS 86 2HD HIS 86 -11.762 -9.637 -0.686 506 HE1 HIS 86 1HE HIS 86 -11.329 -12.618 2.308 507 H ILE 87 H ILE 87 -11.890 -7.006 2.544 508 HA ILE 87 HA ILE 87 -10.378 -5.081 4.117 509 HB ILE 87 HB ILE 87 -12.971 -6.512 4.818 510 HG13 ILE 87 2HG1 ILE 87 -14.255 -4.676 3.799 511 HG21 ILE 87 1HG2 ILE 87 -13.438 -4.540 6.164 512 HG22 ILE 87 2HG2 ILE 87 -11.868 -5.195 6.587 513 HG23 ILE 87 3HG2 ILE 87 -11.976 -3.736 5.579 514 HD11 ILE 87 3HD1 ILE 87 -13.276 -3.285 2.011 515 HD12 ILE 87 1HD1 ILE 87 -12.627 -2.838 3.592 516 HD13 ILE 87 2HD1 ILE 87 -11.648 -3.812 2.466 517 H ASP 88 H ASP 88 -9.436 -5.377 6.001 518 HA ASP 88 HA ASP 88 -8.442 -7.896 6.815 519 HB3 ASP 88 2HB ASP 88 -8.668 -5.161 8.090 520 H TYR 89 H TYR 89 -9.549 -9.508 7.700 521 HA TYR 89 HA TYR 89 -11.789 -8.956 9.586 522 HB3 TYR 89 2HB TYR 89 -12.278 -11.474 8.842 523 HD1 TYR 89 2HD TYR 89 -12.571 -8.289 6.776 524 HD2 TYR 89 1HD TYR 89 -14.619 -11.434 8.912 525 HE1 TYR 89 2HE TYR 89 -14.758 -7.290 6.149 526 HE2 TYR 89 1HE TYR 89 -16.785 -10.507 8.191 527 HH TYR 89 HH TYR 89 -17.518 -9.159 6.134 528 H THR 90 H THR 90 -8.980 -8.899 10.053 529 HA THR 90 HA THR 90 -8.549 -11.408 11.516 530 HB THR 90 HB THR 90 -6.226 -9.842 10.429 531 HG1 THR 90 1HG THR 90 -7.809 -11.371 8.631 532 HG21 THR 90 3HG2 THR 90 -5.363 -12.030 9.904 533 HG22 THR 90 1HG2 THR 90 -6.973 -12.753 10.085 534 HG23 THR 90 2HG2 THR 90 -6.105 -12.147 11.511 535 H THR 91 H THR 91 -8.865 -8.044 11.790 536 HA THR 91 HA THR 91 -8.079 -7.926 14.614 537 HB THR 91 HB THR 91 -6.747 -6.349 12.365 538 HG1 THR 91 1HG THR 91 -6.131 -8.478 13.461 539 HG21 THR 91 3HG2 THR 91 -7.289 -4.710 14.138 540 HG22 THR 91 1HG2 THR 91 -5.557 -5.067 14.120 541 HG23 THR 91 2HG2 THR 91 -6.607 -5.806 15.354 542 H LYS 92 H LYS 92 -8.917 -5.717 11.830 543 HA LYS 92 HA LYS 92 -11.557 -5.175 12.965 544 HB3 LYS 92 2HB LYS 92 -10.837 -2.609 12.360 545 HG3 LYS 92 2HG LYS 92 -9.776 -3.160 15.022 546 HD3 LYS 92 2HD LYS 92 -11.955 -1.913 15.640 547 HE3 LYS 92 2HE LYS 92 -10.140 -0.655 13.539 548 HZ1 LYS 92 3HZ LYS 92 -11.228 1.451 14.339 549 HZ2 LYS 92 1HZ LYS 92 -12.351 0.563 15.070 550 HZ3 LYS 92 2HZ LYS 92 -12.272 0.502 13.443 551 HA PRO 93 HA PRO 93 -12.325 -4.869 8.593 552 HB3 PRO 93 2HB PRO 93 -14.562 -4.916 8.915 553 HG3 PRO 93 2HG PRO 93 -15.512 -4.023 10.877 554 HD3 PRO 93 2HD PRO 93 -13.720 -5.292 11.738 555 H ALA 94 H ALA 94 -10.483 -3.910 7.845 556 HA ALA 94 HA ALA 94 -10.636 -1.024 7.297 557 HB1 ALA 94 1HB ALA 94 -8.114 -2.435 8.275 558 HB2 ALA 94 2HB ALA 94 -8.358 -0.691 8.032 559 HB3 ALA 94 3HB ALA 94 -9.198 -1.556 9.347 560 H ILE 95 H ILE 95 -9.403 -0.415 5.439 561 HA ILE 95 HA ILE 95 -8.696 -2.561 3.519 562 HB ILE 95 HB ILE 95 -9.001 0.462 3.403 563 HG13 ILE 95 2HG1 ILE 95 -10.971 -1.078 3.149 564 HG21 ILE 95 1HG2 ILE 95 -6.911 -0.107 2.115 565 HG22 ILE 95 2HG2 ILE 95 -7.907 -1.198 1.123 566 HG23 ILE 95 3HG2 ILE 95 -8.213 0.549 1.129 567 HD11 ILE 95 3HD1 ILE 95 -10.372 -0.043 0.371 568 HD12 ILE 95 1HD1 ILE 95 -11.952 -0.295 1.128 569 HD13 ILE 95 2HD1 ILE 95 -10.907 1.030 1.689 570 H ILE 96 H ILE 96 -6.652 -3.344 3.503 571 HA ILE 96 HA ILE 96 -4.599 -1.917 5.073 572 HB ILE 96 HB ILE 96 -4.438 -4.796 4.158 573 HG13 ILE 96 2HG1 ILE 96 -5.036 -5.466 6.455 574 HG21 ILE 96 1HG2 ILE 96 -2.744 -4.912 5.994 575 HG22 ILE 96 2HG2 ILE 96 -2.294 -3.745 4.741 576 HG23 ILE 96 3HG2 ILE 96 -2.931 -3.166 6.277 577 HD11 ILE 96 3HD1 ILE 96 -6.301 -3.976 7.929 578 HD12 ILE 96 1HD1 ILE 96 -4.682 -3.332 7.688 579 HD13 ILE 96 2HD1 ILE 96 -6.070 -2.628 6.816 580 H PHE 97 H PHE 97 -3.582 -0.575 3.849 581 HA PHE 97 HA PHE 97 -2.799 -1.131 1.050 582 HB3 PHE 97 2HB PHE 97 -1.716 1.191 1.384 583 HD1 PHE 97 2HD PHE 97 -3.289 0.570 -0.694 584 HD2 PHE 97 1HD PHE 97 -4.682 2.230 3.037 585 HE1 PHE 97 2HE PHE 97 -5.329 1.362 -1.819 586 HE2 PHE 97 1HE PHE 97 -6.712 3.075 1.891 587 HZ PHE 97 HZ PHE 97 -7.029 2.681 -0.538 588 H ARG 98 H ARG 98 -0.602 -1.303 0.494 589 HA ARG 98 HA ARG 98 1.462 -1.609 2.625 590 HB3 ARG 98 2HB ARG 98 2.275 -3.516 1.156 591 HG3 ARG 98 2HG ARG 98 0.770 -3.795 3.346 592 HD3 ARG 98 2HD ARG 98 -1.135 -4.437 1.106 593 HE ARG 98 HE ARG 98 -2.049 -6.221 2.076 594 HH11 ARG 98 1HH1 ARG 98 0.225 -5.049 4.544 595 HH12 ARG 98 2HH1 ARG 98 -0.017 -6.442 5.559 596 HH21 ARG 98 1HH2 ARG 98 -2.403 -7.988 3.473 597 HH22 ARG 98 2HH2 ARG 98 -1.580 -8.080 4.964 598 H ILE 99 H ILE 99 3.104 -0.117 2.057 599 HA ILE 99 HA ILE 99 3.308 0.613 -0.856 600 HB ILE 99 HB ILE 99 3.769 2.522 1.487 601 HG13 ILE 99 2HG1 ILE 99 1.188 1.794 0.170 602 HG21 ILE 99 1HG2 ILE 99 3.384 3.052 -1.512 603 HG22 ILE 99 2HG2 ILE 99 3.669 4.266 -0.257 604 HG23 ILE 99 3HG2 ILE 99 4.914 3.103 -0.658 605 HD11 ILE 99 3HD1 ILE 99 1.450 1.726 2.640 606 HD12 ILE 99 1HD1 ILE 99 1.863 3.461 2.630 607 HD13 ILE 99 2HD1 ILE 99 0.243 2.933 2.148 608 H ALA 100 H ALA 100 5.433 0.808 -1.666 609 HA ALA 100 HA ALA 100 7.640 0.784 0.292 610 HB1 ALA 100 1HB ALA 100 7.601 -1.281 -1.932 611 HB2 ALA 100 2HB ALA 100 8.872 -1.034 -0.720 612 HB3 ALA 100 3HB ALA 100 7.279 -1.640 -0.223 613 H ALA 101 H ALA 101 9.645 1.403 -0.597 614 HA ALA 101 HA ALA 101 9.475 3.488 -2.640 615 HB1 ALA 101 1HB ALA 101 10.753 3.720 -0.480 616 HB2 ALA 101 2HB ALA 101 11.857 2.449 -1.043 617 HB3 ALA 101 3HB ALA 101 11.709 3.978 -1.938 618 H ARG 102 H ARG 102 10.008 3.212 -4.772 619 HA ARG 102 HA ARG 102 11.414 0.771 -5.647 620 HB3 ARG 102 2HB ARG 102 10.725 3.226 -7.308 621 HG3 ARG 102 2HG ARG 102 12.515 1.469 -8.049 622 HD3 ARG 102 2HD ARG 102 9.984 0.057 -8.953 623 HE ARG 102 HE ARG 102 12.557 -0.254 -9.871 624 HH11 ARG 102 1HH1 ARG 102 10.436 -2.402 -7.933 625 HH12 ARG 102 2HH1 ARG 102 11.154 -3.852 -8.594 626 HH21 ARG 102 1HH2 ARG 102 13.546 -2.266 -10.580 627 HH22 ARG 102 2HH2 ARG 102 12.858 -3.756 -10.028 628 H ASN 103 H ASN 103 13.403 0.923 -4.715 629 HA ASN 103 HA ASN 103 15.024 3.298 -5.491 630 HB3 ASN 103 2HB ASN 103 14.773 3.154 -3.034 631 HD21 ASN 103 1HD2 ASN 103 15.603 2.159 -0.946 632 HD22 ASN 103 2HD2 ASN 103 16.041 0.476 -0.948 633 H GLU 104 H GLU 104 17.353 2.740 -5.622 634 HA GLU 104 HA GLU 104 17.695 0.939 -7.768 635 HB3 GLU 104 2HB GLU 104 20.257 1.243 -7.106 636 HG3 GLU 104 2HG GLU 104 20.051 3.683 -7.721 637 H LYS 105 H LYS 105 17.930 0.321 -4.443 638 HA LYS 105 HA LYS 105 19.285 -2.256 -4.554 639 HB3 LYS 105 2HB LYS 105 17.506 -2.276 -2.328 640 HG3 LYS 105 2HG LYS 105 19.362 -1.930 -0.936 641 HD3 LYS 105 2HD LYS 105 20.902 -3.298 -3.054 642 HE3 LYS 105 2HE LYS 105 19.735 -4.599 -0.586 643 HZ1 LYS 105 3HZ LYS 105 21.275 -5.809 -2.135 644 HZ2 LYS 105 1HZ LYS 105 21.765 -5.756 -0.580 645 HZ3 LYS 105 2HZ LYS 105 22.458 -4.755 -1.689 646 H GLY 106 H GLY 106 15.787 -1.483 -4.170 647 HA2 GLY 106 1HA GLY 106 14.470 -3.076 -5.900 648 HA3 GLY 106 2HA GLY 106 15.019 -4.241 -4.675 649 H TYR 107 H TYR 107 12.237 -3.739 -4.982 650 HA TYR 107 HA TYR 107 11.320 -1.994 -2.849 651 HB3 TYR 107 2HB TYR 107 9.291 -3.449 -2.936 652 HD1 TYR 107 1HD TYR 107 9.495 -0.761 -3.625 653 HD2 TYR 107 2HD TYR 107 9.058 -4.159 -6.242 654 HE1 TYR 107 1HE TYR 107 8.426 0.687 -5.320 655 HE2 TYR 107 2HE TYR 107 7.995 -2.711 -7.947 656 HH TYR 107 HH TYR 107 7.146 -0.496 -8.400 657 H GLY 108 H GLY 108 11.166 -2.525 -0.671 658 HA2 GLY 108 1HA GLY 108 11.720 -5.199 0.333 659 HA3 GLY 108 2HA GLY 108 13.002 -4.024 0.622 660 HA PRO 109 HA PRO 109 10.854 -2.552 4.088 661 HB3 PRO 109 2HB PRO 109 12.624 -1.019 4.107 662 HG3 PRO 109 2HG PRO 109 13.017 0.446 2.284 663 HD3 PRO 109 2HD PRO 109 13.072 -1.596 1.138 664 H ALA 110 H ALA 110 8.815 -3.342 3.042 665 HA ALA 110 HA ALA 110 6.910 -1.443 2.096 666 HB1 ALA 110 1HB ALA 110 6.387 -4.225 3.200 667 HB2 ALA 110 2HB ALA 110 5.379 -3.284 2.071 668 HB3 ALA 110 3HB ALA 110 6.949 -3.882 1.551 669 H THR 111 H THR 111 6.009 0.133 3.341 670 HA THR 111 HA THR 111 5.453 -0.197 6.238 671 HB THR 111 HB THR 111 4.805 2.122 4.376 672 HG1 THR 111 1HG THR 111 6.639 3.106 5.322 673 HG21 THR 111 3HG2 THR 111 4.682 3.415 6.495 674 HG22 THR 111 1HG2 THR 111 4.944 1.925 7.409 675 HG23 THR 111 2HG2 THR 111 3.476 2.122 6.440 676 H GLN 112 H GLN 112 3.598 -1.355 6.713 677 HA GLN 112 HA GLN 112 1.448 -1.417 4.713 678 HB3 GLN 112 2HB GLN 112 2.245 -3.486 6.106 679 HG3 GLN 112 2HG GLN 112 0.264 -2.173 7.977 680 HE21 GLN 112 1HE2 GLN 112 -1.109 -3.658 8.777 681 HE22 GLN 112 2HE2 GLN 112 -0.703 -5.345 9.091 682 H VAL 113 H VAL 113 -0.595 -0.545 5.214 683 HA VAL 113 HA VAL 113 -0.836 1.324 7.519 684 HB VAL 113 HB VAL 113 -1.132 1.896 4.535 685 HG11 VAL 113 1HG1 VAL 113 -1.797 3.704 6.863 686 HG12 VAL 113 2HG1 VAL 113 -1.652 4.234 5.160 687 HG13 VAL 113 3HG1 VAL 113 -2.897 3.080 5.612 688 HG21 VAL 113 3HG2 VAL 113 1.242 2.036 5.183 689 HG22 VAL 113 1HG2 VAL 113 0.631 3.666 4.938 690 HG23 VAL 113 2HG2 VAL 113 0.835 3.033 6.585 691 H ARG 114 H ARG 114 -3.027 1.532 8.208 692 HA ARG 114 HA ARG 114 -4.953 0.009 6.558 693 HB3 ARG 114 2HB ARG 114 -4.226 -1.273 8.614 694 HG3 ARG 114 2HG ARG 114 -5.385 -0.862 10.678 695 HD3 ARG 114 2HD ARG 114 -3.822 1.616 9.970 696 HE ARG 114 HE ARG 114 -4.788 0.491 12.519 697 HH11 ARG 114 1HH1 ARG 114 -2.371 2.688 11.098 698 HH12 ARG 114 2HH1 ARG 114 -1.925 3.334 12.663 699 HH21 ARG 114 1HH2 ARG 114 -3.966 1.211 14.547 700 HH22 ARG 114 2HH2 ARG 114 -2.862 2.572 14.543 701 H TRP 115 H TRP 115 -7.097 0.600 6.608 702 HA TRP 115 HA TRP 115 -7.731 3.341 7.605 703 HB3 TRP 115 2HB TRP 115 -8.251 2.191 4.813 704 HD1 TRP 115 HD TRP 115 -7.652 5.673 6.438 705 HE1 TRP 115 1HE TRP 115 -9.292 7.332 5.400 706 HE3 TRP 115 3HE TRP 115 -10.314 2.427 3.529 707 HZ2 TRP 115 2HZ TRP 115 -11.354 7.294 3.294 708 HZ3 TRP 115 3HZ TRP 115 -11.978 3.279 1.883 709 HH2 TRP 115 HH TRP 115 -12.447 5.688 1.718 710 H LEU 116 H LEU 116 -9.361 3.167 8.843 711 HA LEU 116 HA LEU 116 -11.198 0.952 8.881 712 HB3 LEU 116 2HB LEU 116 -11.732 1.941 10.975 713 HG LEU 116 HG LEU 116 -9.771 2.314 12.186 714 HD11 LEU 116 1HD1 LEU 116 -8.501 0.342 11.846 715 HD12 LEU 116 2HD1 LEU 116 -8.761 0.390 10.112 716 HD13 LEU 116 3HD1 LEU 116 -10.111 -0.042 11.183 717 HD21 LEU 116 3HD2 LEU 116 -7.858 2.569 9.916 718 HD22 LEU 116 1HD2 LEU 116 -7.611 2.751 11.647 719 HD23 LEU 116 2HD2 LEU 116 -8.582 3.952 10.795 720 H GLN 117 H GLN 117 -11.198 3.591 6.990 721 HA GLN 117 HA GLN 117 -13.993 4.528 7.456 722 HB3 GLN 117 2HB GLN 117 -12.729 6.174 5.539 723 HG3 GLN 117 2HG GLN 117 -12.427 7.779 7.431 724 HE21 GLN 117 1HE2 GLN 117 -14.815 7.747 9.272 725 HE22 GLN 117 2HE2 GLN 117 -16.185 7.880 8.209 726 H GLU 118 H GLU 118 -13.030 1.951 6.150 727 HA GLU 118 HA GLU 118 -13.792 2.194 3.351 728 HB3 GLU 118 2HB GLU 118 -12.153 0.681 3.761 729 HG3 GLU 118 2HG GLU 118 -12.192 0.287 6.105 730 H THR 119 H THR 119 -15.662 2.458 6.035 731 HA THR 119 HA THR 119 -17.903 0.844 5.665 732 HB THR 119 HB THR 119 -18.473 3.643 6.384 733 HG1 THR 119 1HG THR 119 -16.622 2.229 7.988 734 HG21 THR 119 3HG2 THR 119 -19.988 1.823 6.942 735 HG22 THR 119 1HG2 THR 119 -19.388 2.603 8.410 736 HG23 THR 119 2HG2 THR 119 -18.722 1.034 7.900 737 H SER 120 H SER 120 -19.324 0.696 4.058 738 HA SER 120 HA SER 120 -19.600 2.943 2.110 739 HB3 SER 120 2HB SER 120 -18.828 0.079 1.386 740 HG SER 120 HG SER 120 -18.364 2.229 -0.290 741 H LYS 121 H LYS 121 -20.728 -0.408 2.958 742 HA LYS 121 HA LYS 121 -23.209 0.058 1.477 743 HB3 LYS 121 2HB LYS 121 -23.731 -2.246 2.046 744 HG3 LYS 121 2HG LYS 121 -20.792 -2.164 1.247 745 HD3 LYS 121 2HD LYS 121 -23.153 -3.793 0.238 746 HE3 LYS 121 2HE LYS 121 -20.165 -4.299 -0.118 747 HZ1 LYS 121 3HZ LYS 121 -21.005 -5.555 -2.019 748 HZ2 LYS 121 1HZ LYS 121 -22.542 -5.196 -1.631 749 HZ3 LYS 121 2HZ LYS 121 -21.648 -6.164 -0.624 750 H ASP 122 H ASP 122 -23.651 1.987 2.850 751 HA ASP 122 HA ASP 122 -25.696 1.163 4.758 752 HB3 ASP 122 2HB ASP 122 -23.860 3.532 5.339 753 H SER 123 H SER 123 -27.526 2.562 4.523 754 HA SER 123 HA SER 123 -29.003 3.611 3.169 755 HB3 SER 123 2HB SER 123 -28.652 5.967 2.967 756 HG SER 123 HG SER 123 -27.078 5.125 5.187 757 H SER 124 H SER 124 -27.453 1.741 1.716 758 HA SER 124 HA SER 124 -26.510 3.052 -0.728 759 HB3 SER 124 2HB SER 124 -26.358 0.134 -0.702 760 HG SER 124 HG SER 124 -24.410 2.207 -0.383 761 H GLY 125 H GLY 125 -29.525 1.913 0.189 762 HA2 GLY 125 1HA GLY 125 -30.328 1.207 -2.611 763 HA3 GLY 125 2HA GLY 125 -31.327 0.972 -1.159 764 H THR 126 H THR 126 -31.425 3.043 0.246 765 HA THR 126 HA THR 126 -31.106 5.585 -0.993 766 HB THR 126 HB THR 126 -33.213 6.313 0.294 767 HG1 THR 126 1HG THR 126 -33.411 4.227 1.295 768 HG21 THR 126 3HG2 THR 126 -33.148 6.287 -2.174 769 HG22 THR 126 1HG2 THR 126 -34.754 5.859 -1.554 770 HG23 THR 126 2HG2 THR 126 -33.676 4.592 -2.178 Start of MODEL 3 1 H1 GLY 1 H GLY 1 24.322 -11.237 5.545 2 HA2 GLY 1 1HA GLY 1 23.458 -12.763 7.330 3 HA3 GLY 1 2HA GLY 1 22.693 -11.164 7.328 4 H CYS 2 H CYS 2 20.622 -11.472 7.820 5 HA CYS 2 HA CYS 2 18.985 -12.887 5.767 6 HB3 CYS 2 2HB CYS 2 17.122 -12.647 7.432 7 HG CYS 2 HG CYS 2 19.645 -14.320 8.728 8 H LEU 3 H LEU 3 19.823 -9.959 7.529 9 HA LEU 3 HA LEU 3 19.253 -7.826 7.448 10 HB3 LEU 3 2HB LEU 3 19.058 -6.813 5.106 11 HG LEU 3 HG LEU 3 21.456 -8.489 5.969 12 HD11 LEU 3 1HD1 LEU 3 21.593 -8.296 3.563 13 HD12 LEU 3 2HD1 LEU 3 22.770 -7.216 4.298 14 HD13 LEU 3 3HD1 LEU 3 21.266 -6.551 3.627 15 HD21 LEU 3 3HD2 LEU 3 22.439 -6.256 6.454 16 HD22 LEU 3 1HD2 LEU 3 20.996 -6.545 7.419 17 HD23 LEU 3 2HD2 LEU 3 20.914 -5.483 5.995 18 HA PRO 4 HA PRO 4 14.715 -8.556 7.333 19 HB3 PRO 4 2HB PRO 4 14.709 -9.702 9.338 20 HG3 PRO 4 2HG PRO 4 16.386 -9.326 10.994 21 HD3 PRO 4 2HD PRO 4 17.584 -9.832 9.044 22 H GLY 5 H GLY 5 14.530 -6.736 6.073 23 HA2 GLY 5 1HA GLY 5 13.465 -4.688 5.859 24 HA3 GLY 5 2HA GLY 5 14.025 -4.196 7.462 25 H PHE 6 H PHE 6 14.282 -2.714 5.082 26 HA PHE 6 HA PHE 6 17.198 -2.628 4.458 27 HB3 PHE 6 2HB PHE 6 15.971 -1.696 2.205 28 HD1 PHE 6 2HD PHE 6 17.165 -4.867 3.809 29 HD2 PHE 6 1HD PHE 6 16.056 -2.910 0.121 30 HE1 PHE 6 2HE PHE 6 18.281 -6.642 2.525 31 HE2 PHE 6 1HE PHE 6 17.094 -4.765 -1.152 32 HZ PHE 6 HZ PHE 6 18.283 -6.580 0.039 33 HA PRO 7 HA PRO 7 17.087 1.464 5.595 34 HB3 PRO 7 2HB PRO 7 19.195 1.790 4.888 35 HG3 PRO 7 2HG PRO 7 19.945 0.897 2.816 36 HD3 PRO 7 2HD PRO 7 18.914 -0.904 3.990 37 H GLY 8 H GLY 8 15.636 2.986 5.801 38 HA2 GLY 8 1HA GLY 8 14.298 4.805 5.289 39 HA3 GLY 8 2HA GLY 8 14.487 4.485 3.556 40 H ALA 9 H ALA 9 12.073 5.094 4.027 41 HA ALA 9 HA ALA 9 10.408 3.158 3.162 42 HB1 ALA 9 1HB ALA 9 10.414 1.918 5.193 43 HB2 ALA 9 2HB ALA 9 10.316 3.391 6.197 44 HB3 ALA 9 3HB ALA 9 8.909 2.836 5.277 45 HA PRO 10 HA PRO 10 7.739 6.900 3.175 46 HB3 PRO 10 2HB PRO 10 6.254 5.859 1.713 47 HG3 PRO 10 2HG PRO 10 5.835 3.531 1.851 48 HD3 PRO 10 2HD PRO 10 8.161 3.703 1.736 49 H CYS 11 H CYS 11 6.510 8.088 4.787 50 HA CYS 11 HA CYS 11 5.928 6.737 7.352 51 HB3 CYS 11 2HB CYS 11 7.032 8.517 8.627 52 HG CYS 11 HG CYS 11 9.157 7.478 6.291 53 H ALA 12 H ALA 12 4.858 8.397 8.829 54 HA ALA 12 HA ALA 12 3.178 9.700 9.425 55 HB1 ALA 12 1HB ALA 12 3.795 11.336 6.942 56 HB2 ALA 12 2HB ALA 12 3.013 11.893 8.432 57 HB3 ALA 12 3HB ALA 12 4.715 11.409 8.467 58 H ILE 13 H ILE 13 2.591 7.561 7.210 59 HA ILE 13 HA ILE 13 1.053 8.490 5.283 60 HB ILE 13 HB ILE 13 0.847 5.755 6.562 61 HG13 ILE 13 2HG1 ILE 13 2.854 7.160 4.921 62 HG21 ILE 13 1HG2 ILE 13 0.029 4.980 4.349 63 HG22 ILE 13 2HG2 ILE 13 -1.106 6.078 5.115 64 HG23 ILE 13 3HG2 ILE 13 -0.070 6.672 3.804 65 HD11 ILE 13 3HD1 ILE 13 3.471 5.865 6.913 66 HD12 ILE 13 1HD1 ILE 13 2.859 4.381 6.154 67 HD13 ILE 13 2HD1 ILE 13 4.254 5.231 5.457 68 H LYS 14 H LYS 14 -0.695 9.538 5.073 69 HA LYS 14 HA LYS 14 -2.873 9.341 7.111 70 HB3 LYS 14 2HB LYS 14 -3.955 11.171 5.907 71 HG3 LYS 14 2HG LYS 14 -1.731 11.442 7.556 72 HD3 LYS 14 2HD LYS 14 -1.490 13.462 5.298 73 HE3 LYS 14 2HE LYS 14 0.388 12.993 7.640 74 HZ1 LYS 14 3HZ LYS 14 1.180 14.391 5.776 75 HZ2 LYS 14 1HZ LYS 14 1.031 15.241 7.156 76 HZ3 LYS 14 2HZ LYS 14 -0.089 15.418 5.986 77 H ILE 15 H ILE 15 -4.735 8.275 6.616 78 HA ILE 15 HA ILE 15 -5.506 8.085 3.853 79 HB ILE 15 HB ILE 15 -6.084 5.605 5.465 80 HG13 ILE 15 2HG1 ILE 15 -3.701 5.668 5.560 81 HG21 ILE 15 1HG2 ILE 15 -5.840 6.144 2.482 82 HG22 ILE 15 2HG2 ILE 15 -6.512 4.686 3.233 83 HG23 ILE 15 3HG2 ILE 15 -7.352 6.216 3.388 84 HD11 ILE 15 3HD1 ILE 15 -4.499 3.744 3.348 85 HD12 ILE 15 1HD1 ILE 15 -3.053 3.638 4.340 86 HD13 ILE 15 2HD1 ILE 15 -4.652 3.436 5.098 87 H SER 16 H SER 16 -7.368 8.705 3.722 88 HA SER 16 HA SER 16 -9.501 8.739 5.710 89 HB3 SER 16 2HB SER 16 -9.642 11.018 6.074 90 HG SER 16 HG SER 16 -7.800 10.399 7.125 91 H LYS 17 H LYS 17 -11.393 10.004 4.546 92 HA LYS 17 HA LYS 17 -11.541 8.759 1.849 93 HB3 LYS 17 2HB LYS 17 -13.492 9.884 3.891 94 HG3 LYS 17 2HG LYS 17 -14.533 10.155 1.558 95 HD3 LYS 17 2HD LYS 17 -13.629 7.325 1.410 96 HE3 LYS 17 2HE LYS 17 -16.009 6.951 1.679 97 HZ1 LYS 17 3HZ LYS 17 -16.360 8.533 -0.801 98 HZ2 LYS 17 1HZ LYS 17 -16.940 8.958 0.699 99 HZ3 LYS 17 2HZ LYS 17 -17.489 7.610 -0.046 100 H SER 18 H SER 18 -12.392 10.071 0.049 101 HA SER 18 HA SER 18 -12.743 12.917 0.557 102 HB3 SER 18 2HB SER 18 -11.372 11.777 -1.953 103 HG SER 18 HG SER 18 -10.993 14.216 -2.046 104 HA PRO 19 HA PRO 19 -16.375 11.831 -2.169 105 HB3 PRO 19 2HB PRO 19 -17.233 13.940 -2.081 106 HG3 PRO 19 2HG PRO 19 -15.872 15.819 -1.589 107 HD3 PRO 19 2HD PRO 19 -15.396 14.206 0.072 108 H ASP 20 H ASP 20 -13.392 13.491 -3.153 109 HA ASP 20 HA ASP 20 -13.379 12.532 -5.832 110 HB3 ASP 20 2HB ASP 20 -11.064 13.857 -4.382 111 H GLY 21 H GLY 21 -13.207 10.402 -3.769 112 HA2 GLY 21 1HA GLY 21 -12.084 8.288 -4.397 113 HA3 GLY 21 2HA GLY 21 -10.580 9.184 -4.526 114 H ALA 22 H ALA 22 -9.261 9.016 -2.835 115 HA ALA 22 HA ALA 22 -10.316 8.997 -0.060 116 HB1 ALA 22 1HB ALA 22 -8.593 7.273 0.525 117 HB2 ALA 22 2HB ALA 22 -9.836 6.683 -0.581 118 HB3 ALA 22 3HB ALA 22 -8.245 7.107 -1.219 119 H HIS 23 H HIS 23 -7.849 9.050 1.163 120 HA HIS 23 HA HIS 23 -6.707 11.662 0.289 121 HB3 HIS 23 2HB HIS 23 -7.076 10.697 3.110 122 HD1 HIS 23 1HD HIS 23 -6.839 12.540 4.903 123 HD2 HIS 23 2HD HIS 23 -6.814 13.966 0.927 124 HE1 HIS 23 1HE HIS 23 -6.416 14.986 5.062 125 H LEU 24 H LEU 24 -5.432 9.270 -0.447 126 HA LEU 24 HA LEU 24 -3.607 8.149 1.405 127 HB3 LEU 24 2HB LEU 24 -2.561 7.403 -0.971 128 HG LEU 24 HG LEU 24 -3.920 5.636 -1.207 129 HD11 LEU 24 1HD1 LEU 24 -2.555 5.342 0.686 130 HD12 LEU 24 2HD1 LEU 24 -4.110 4.571 0.988 131 HD13 LEU 24 3HD1 LEU 24 -3.736 6.127 1.743 132 HD21 LEU 24 3HD2 LEU 24 -6.168 5.372 -0.197 133 HD22 LEU 24 1HD2 LEU 24 -6.062 6.761 -1.294 134 HD23 LEU 24 2HD2 LEU 24 -6.048 7.031 0.455 135 H THR 25 H THR 25 -1.918 9.393 2.301 136 HA THR 25 HA THR 25 0.017 10.600 0.307 137 HB THR 25 HB THR 25 0.221 12.641 1.626 138 HG1 THR 25 1HG THR 25 -2.004 12.655 3.030 139 HG21 THR 25 3HG2 THR 25 -2.734 12.250 1.010 140 HG22 THR 25 1HG2 THR 25 -1.492 12.572 -0.233 141 HG23 THR 25 2HG2 THR 25 -1.810 13.765 1.037 142 H TRP 26 H TRP 26 2.151 10.580 0.970 143 HA TRP 26 HA TRP 26 2.815 9.778 3.782 144 HB3 TRP 26 2HB TRP 26 3.186 7.712 2.852 145 HD1 TRP 26 HD TRP 26 5.496 8.715 0.005 146 HE1 TRP 26 1HE TRP 26 4.324 8.286 -2.242 147 HE3 TRP 26 3HE TRP 26 0.937 7.315 1.794 148 HZ2 TRP 26 2HZ TRP 26 1.599 7.655 -3.106 149 HZ3 TRP 26 3HZ TRP 26 -0.929 6.889 0.281 150 HH2 TRP 26 HH TRP 26 -0.665 7.204 -2.195 151 H GLU 27 H GLU 27 5.058 10.195 4.335 152 HA GLU 27 HA GLU 27 5.913 12.800 3.320 153 HB3 GLU 27 2HB GLU 27 7.957 12.114 4.976 154 HG3 GLU 27 2HG GLU 27 5.144 12.901 5.780 155 HA PRO 28 HA PRO 28 8.908 11.424 0.335 156 HB3 PRO 28 2HB PRO 28 9.010 13.715 -0.214 157 HG3 PRO 28 2HG PRO 28 9.214 15.388 1.488 158 HD3 PRO 28 2HD PRO 28 7.237 14.204 1.950 159 HA PRO 29 HA PRO 29 12.340 9.560 2.562 160 HB3 PRO 29 2HB PRO 29 12.893 8.434 0.631 161 HG3 PRO 29 2HG PRO 29 12.865 9.527 -1.484 162 HD3 PRO 29 2HD PRO 29 10.730 9.954 -0.602 163 H SER 30 H SER 30 13.138 10.656 4.192 164 HA SER 30 HA SER 30 15.411 12.492 3.864 165 HB3 SER 30 2HB SER 30 13.807 13.568 5.980 166 HG SER 30 HG SER 30 14.635 15.126 5.040 167 H VAL 31 H VAL 31 15.996 10.087 4.319 168 HA VAL 31 HA VAL 31 16.210 9.621 7.219 169 HB VAL 31 HB VAL 31 15.484 7.164 6.691 170 HG11 VAL 31 1HG1 VAL 31 13.205 7.658 7.429 171 HG12 VAL 31 2HG1 VAL 31 14.378 8.635 8.307 172 HG13 VAL 31 3HG1 VAL 31 13.403 9.363 7.019 173 HG21 VAL 31 3HG2 VAL 31 15.061 7.441 4.233 174 HG22 VAL 31 1HG2 VAL 31 13.613 6.949 5.115 175 HG23 VAL 31 2HG2 VAL 31 13.780 8.616 4.599 176 H THR 32 H THR 32 17.002 8.035 4.039 177 HA THR 32 HA THR 32 19.693 7.474 5.210 178 HB THR 32 HB THR 32 19.565 5.203 4.412 179 HG1 THR 32 1HG THR 32 16.841 5.660 3.767 180 HG21 THR 32 3HG2 THR 32 18.708 5.626 6.716 181 HG22 THR 32 1HG2 THR 32 18.012 4.201 5.929 182 HG23 THR 32 2HG2 THR 32 17.056 5.678 6.071 183 H SER 33 H SER 33 21.287 6.782 3.527 184 HA SER 33 HA SER 33 21.503 8.502 1.363 185 HB3 SER 33 2HB SER 33 23.576 7.437 1.092 186 HG SER 33 HG SER 33 23.715 7.906 3.253 187 H GLY 34 H GLY 34 19.027 6.532 1.245 188 HA2 GLY 34 1HA GLY 34 19.375 4.925 -1.140 189 HA3 GLY 34 2HA GLY 34 17.863 5.314 -0.285 190 H LYS 35 H LYS 35 18.539 5.464 -3.097 191 HA LYS 35 HA LYS 35 17.933 8.310 -3.711 192 HB3 LYS 35 2HB LYS 35 20.116 7.973 -4.499 193 HG3 LYS 35 2HG LYS 35 19.251 5.247 -4.926 194 HD3 LYS 35 2HD LYS 35 19.120 5.835 -7.303 195 HE3 LYS 35 2HE LYS 35 22.075 6.533 -6.959 196 HZ1 LYS 35 3HZ LYS 35 21.340 5.290 -9.033 197 HZ2 LYS 35 1HZ LYS 35 22.174 6.694 -9.258 198 HZ3 LYS 35 2HZ LYS 35 20.551 6.664 -9.489 199 H ILE 36 H ILE 36 15.924 8.118 -3.668 200 HA ILE 36 HA ILE 36 14.336 5.932 -4.801 201 HB ILE 36 HB ILE 36 13.625 8.578 -3.454 202 HG13 ILE 36 2HG1 ILE 36 13.355 5.661 -2.565 203 HG21 ILE 36 1HG2 ILE 36 11.743 6.367 -4.353 204 HG22 ILE 36 2HG2 ILE 36 11.288 7.794 -3.398 205 HG23 ILE 36 3HG2 ILE 36 11.831 8.002 -5.054 206 HD11 ILE 36 3HD1 ILE 36 15.554 6.283 -1.876 207 HD12 ILE 36 1HD1 ILE 36 15.007 7.903 -1.357 208 HD13 ILE 36 2HD1 ILE 36 14.507 6.448 -0.468 209 H ILE 37 H ILE 37 13.201 6.062 -6.646 210 HA ILE 37 HA ILE 37 13.717 8.305 -8.555 211 HB ILE 37 HB ILE 37 13.834 6.466 -10.272 212 HG13 ILE 37 2HG1 ILE 37 12.871 4.683 -8.715 213 HG21 ILE 37 1HG2 ILE 37 15.839 7.677 -9.420 214 HG22 ILE 37 2HG2 ILE 37 16.077 6.417 -8.189 215 HG23 ILE 37 3HG2 ILE 37 16.221 6.031 -9.917 216 HD11 ILE 37 3HD1 ILE 37 13.803 3.997 -10.841 217 HD12 ILE 37 1HD1 ILE 37 15.447 3.943 -10.149 218 HD13 ILE 37 2HD1 ILE 37 14.216 2.826 -9.561 219 H GLU 38 H GLU 38 11.375 6.346 -7.058 220 HA GLU 38 HA GLU 38 9.124 7.487 -8.394 221 HB3 GLU 38 2HB GLU 38 8.673 4.667 -8.814 222 HG3 GLU 38 2HG GLU 38 9.214 6.957 -10.719 223 H TYR 39 H TYR 39 7.101 5.834 -7.482 224 HA TYR 39 HA TYR 39 7.849 4.701 -4.897 225 HB3 TYR 39 2HB TYR 39 5.423 6.251 -4.575 226 HD1 TYR 39 2HD TYR 39 6.038 4.637 -2.590 227 HD2 TYR 39 1HD TYR 39 8.330 8.139 -3.566 228 HE1 TYR 39 2HE TYR 39 6.910 4.700 -0.276 229 HE2 TYR 39 1HE TYR 39 9.245 8.199 -1.279 230 HH TYR 39 HH TYR 39 9.271 7.133 0.887 231 H SER 40 H SER 40 5.822 3.434 -4.011 232 HA SER 40 HA SER 40 3.955 2.652 -6.137 233 HB3 SER 40 2HB SER 40 5.901 1.195 -6.356 234 HG SER 40 HG SER 40 6.435 1.286 -4.018 235 H VAL 41 H VAL 41 2.141 1.478 -5.399 236 HA VAL 41 HA VAL 41 1.634 1.170 -2.523 237 HB VAL 41 HB VAL 41 -0.258 2.658 -4.422 238 HG11 VAL 41 1HG1 VAL 41 -1.497 1.417 -2.826 239 HG12 VAL 41 2HG1 VAL 41 -0.479 2.024 -1.492 240 HG13 VAL 41 3HG1 VAL 41 -1.557 3.126 -2.394 241 HG21 VAL 41 3HG2 VAL 41 0.096 4.668 -3.048 242 HG22 VAL 41 1HG2 VAL 41 1.363 3.825 -2.141 243 HG23 VAL 41 2HG2 VAL 41 1.575 4.169 -3.869 244 H TYR 42 H TYR 42 0.407 -0.622 -2.164 245 HA TYR 42 HA TYR 42 -0.651 -2.157 -4.474 246 HB3 TYR 42 2HB TYR 42 0.157 -4.185 -3.320 247 HD1 TYR 42 2HD TYR 42 2.947 -1.823 -2.643 248 HD2 TYR 42 1HD TYR 42 1.240 -4.642 -5.446 249 HE1 TYR 42 2HE TYR 42 5.086 -1.889 -3.891 250 HE2 TYR 42 1HE TYR 42 3.362 -4.712 -6.682 251 HH TYR 42 HH TYR 42 5.675 -3.992 -6.736 252 H LEU 43 H LEU 43 -2.694 -2.655 -4.171 253 HA LEU 43 HA LEU 43 -4.004 -2.269 -1.491 254 HB3 LEU 43 2HB LEU 43 -4.724 -1.561 -4.362 255 HG LEU 43 HG LEU 43 -6.754 -2.659 -3.356 256 HD11 LEU 43 1HD1 LEU 43 -6.329 -2.104 -0.984 257 HD12 LEU 43 2HD1 LEU 43 -7.884 -1.460 -1.509 258 HD13 LEU 43 3HD1 LEU 43 -6.479 -0.378 -1.347 259 HD21 LEU 43 3HD2 LEU 43 -7.282 0.297 -3.581 260 HD22 LEU 43 1HD2 LEU 43 -8.303 -1.074 -4.028 261 HD23 LEU 43 2HD2 LEU 43 -6.862 -0.701 -4.995 262 H ALA 44 H ALA 44 -5.251 -4.024 -0.699 263 HA ALA 44 HA ALA 44 -5.297 -6.549 -2.111 264 HB1 ALA 44 1HB ALA 44 -6.708 -7.271 -0.238 265 HB2 ALA 44 2HB ALA 44 -5.329 -6.351 0.382 266 HB3 ALA 44 3HB ALA 44 -6.931 -5.594 0.282 267 H ILE 45 H ILE 45 -6.944 -7.475 -3.371 268 HA ILE 45 HA ILE 45 -9.476 -6.047 -3.753 269 HB ILE 45 HB ILE 45 -9.299 -5.983 -6.154 270 HG13 ILE 45 2HG1 ILE 45 -7.490 -7.917 -6.217 271 HG21 ILE 45 1HG2 ILE 45 -8.671 -3.999 -4.842 272 HG22 ILE 45 2HG2 ILE 45 -6.968 -4.473 -5.000 273 HG23 ILE 45 3HG2 ILE 45 -7.918 -4.080 -6.436 274 HD11 ILE 45 3HD1 ILE 45 -6.738 -7.146 -8.442 275 HD12 ILE 45 1HD1 ILE 45 -8.488 -6.986 -8.217 276 HD13 ILE 45 2HD1 ILE 45 -7.457 -5.561 -8.136 277 H GLN 46 H GLN 46 -10.577 -7.457 -5.795 278 HA GLN 46 HA GLN 46 -10.914 -10.078 -4.499 279 HB3 GLN 46 2HB GLN 46 -13.116 -9.996 -5.219 280 HG3 GLN 46 2HG GLN 46 -13.687 -7.398 -4.471 281 HE21 GLN 46 1HE2 GLN 46 -12.001 -9.935 -2.306 282 HE22 GLN 46 2HE2 GLN 46 -13.447 -10.015 -1.307 283 H SER 47 H SER 47 -8.937 -10.138 -5.998 284 HA SER 47 HA SER 47 -9.475 -11.843 -8.353 285 HB3 SER 47 2HB SER 47 -7.380 -10.561 -9.396 286 HG SER 47 HG SER 47 -9.824 -9.153 -9.493 287 H SER 48 H SER 48 -6.901 -12.551 -9.076 288 HA SER 48 HA SER 48 -5.224 -12.439 -6.713 289 HB3 SER 48 2HB SER 48 -4.458 -14.847 -7.172 290 HG SER 48 HG SER 48 -6.877 -13.982 -6.032 291 H GLN 49 H GLN 49 -2.979 -12.800 -7.222 292 HA GLN 49 HA GLN 49 -2.036 -12.668 -9.936 293 HB3 GLN 49 2HB GLN 49 -0.554 -10.645 -8.636 294 HG3 GLN 49 2HG GLN 49 -1.718 -10.874 -11.105 295 HE21 GLN 49 1HE2 GLN 49 -4.246 -10.815 -10.811 296 HE22 GLN 49 2HE2 GLN 49 -4.943 -9.246 -11.119 297 H ALA 50 H ALA 50 0.491 -12.792 -9.705 298 HA ALA 50 HA ALA 50 1.145 -14.940 -7.915 299 HB1 ALA 50 1HB ALA 50 3.405 -14.678 -8.838 300 HB2 ALA 50 2HB ALA 50 2.210 -14.592 -10.140 301 HB3 ALA 50 3HB ALA 50 2.969 -13.103 -9.522 302 H SER 51 H SER 51 3.108 -14.794 -6.381 303 HA SER 51 HA SER 51 3.220 -12.311 -4.825 304 HB3 SER 51 2HB SER 51 2.471 -13.247 -2.921 305 HG SER 51 HG SER 51 1.600 -15.638 -3.927 306 H GLY 52 H GLY 52 5.280 -11.804 -5.003 307 HA2 GLY 52 1HA GLY 52 7.409 -13.713 -4.388 308 HA3 GLY 52 2HA GLY 52 7.491 -13.015 -6.009 309 H GLU 53 H GLU 53 8.360 -12.570 -2.830 310 HA GLU 53 HA GLU 53 8.352 -9.657 -2.685 311 HB3 GLU 53 2HB GLU 53 8.292 -10.755 -0.625 312 HG3 GLU 53 2HG GLU 53 9.675 -12.909 -1.478 313 HA PRO 54 HA PRO 54 11.958 -9.106 -5.156 314 HB3 PRO 54 2HB PRO 54 10.986 -6.952 -5.161 315 HG3 PRO 54 2HG PRO 54 10.582 -5.772 -3.094 316 HD3 PRO 54 2HD PRO 54 9.216 -7.667 -3.181 317 H LYS 55 H LYS 55 12.825 -10.879 -3.376 318 HA LYS 55 HA LYS 55 14.449 -11.659 -2.026 319 HB3 LYS 55 2HB LYS 55 16.810 -11.044 -2.694 320 HG3 LYS 55 2HG LYS 55 14.888 -11.808 -4.930 321 HD3 LYS 55 2HD LYS 55 16.872 -13.217 -5.658 322 HE3 LYS 55 2HE LYS 55 17.020 -10.178 -5.822 323 HZ1 LYS 55 3HZ LYS 55 18.326 -10.653 -7.823 324 HZ2 LYS 55 1HZ LYS 55 18.436 -12.232 -7.401 325 HZ3 LYS 55 2HZ LYS 55 19.115 -11.073 -6.438 326 H SER 56 H SER 56 13.027 -10.158 -0.562 327 HA SER 56 HA SER 56 14.464 -7.876 0.584 328 HB3 SER 56 2HB SER 56 11.725 -8.991 1.319 329 HG SER 56 HG SER 56 11.625 -6.614 1.906 330 H SER 57 H SER 57 12.847 -10.873 1.859 331 HA SER 57 HA SER 57 15.113 -11.865 3.198 332 HB3 SER 57 2HB SER 57 15.105 -9.990 4.717 333 HG SER 57 HG SER 57 13.120 -9.655 5.984 334 H THR 58 H THR 58 11.548 -11.500 3.352 335 HA THR 58 HA THR 58 11.329 -14.254 4.435 336 HB THR 58 HB THR 58 11.379 -12.529 6.178 337 HG1 THR 58 1HG THR 58 8.763 -13.546 5.865 338 HG21 THR 58 3HG2 THR 58 10.460 -10.572 4.932 339 HG22 THR 58 1HG2 THR 58 9.645 -10.860 6.468 340 HG23 THR 58 2HG2 THR 58 8.857 -11.329 4.961 341 HA PRO 59 HA PRO 59 8.202 -14.514 1.263 342 HB3 PRO 59 2HB PRO 59 8.320 -16.832 1.553 343 HG3 PRO 59 2HG PRO 59 8.474 -17.798 3.746 344 HD3 PRO 59 2HD PRO 59 10.282 -16.300 3.480 345 H ALA 60 H ALA 60 5.880 -14.243 0.930 346 HA ALA 60 HA ALA 60 4.037 -13.813 3.063 347 HB1 ALA 60 1HB ALA 60 3.399 -11.509 2.521 348 HB2 ALA 60 2HB ALA 60 4.997 -11.597 3.273 349 HB3 ALA 60 3HB ALA 60 4.848 -11.324 1.513 350 H GLN 61 H GLN 61 2.633 -15.198 1.991 351 HA GLN 61 HA GLN 61 2.003 -14.759 -0.848 352 HB3 GLN 61 2HB GLN 61 1.983 -17.009 -0.019 353 HG3 GLN 61 2HG GLN 61 -0.561 -16.356 1.510 354 HE21 GLN 61 1HE2 GLN 61 0.186 -18.668 -0.313 355 HE22 GLN 61 2HE2 GLN 61 0.236 -20.062 0.722 356 H LEU 62 H LEU 62 0.786 -13.059 -1.509 357 HA LEU 62 HA LEU 62 -1.620 -12.305 -0.306 358 HB3 LEU 62 2HB LEU 62 -0.803 -10.535 0.768 359 HG LEU 62 HG LEU 62 1.607 -11.249 0.800 360 HD11 LEU 62 1HD1 LEU 62 3.054 -10.436 -1.059 361 HD12 LEU 62 2HD1 LEU 62 1.571 -9.906 -1.925 362 HD13 LEU 62 3HD1 LEU 62 1.849 -11.607 -1.578 363 HD21 LEU 62 3HD2 LEU 62 2.601 -9.041 0.976 364 HD22 LEU 62 1HD2 LEU 62 0.952 -8.967 1.621 365 HD23 LEU 62 2HD2 LEU 62 1.306 -8.319 -0.002 366 H ALA 63 H ALA 63 -2.905 -11.157 -1.968 367 HA ALA 63 HA ALA 63 -1.573 -10.810 -4.589 368 HB1 ALA 63 1HB ALA 63 -2.787 -12.932 -4.801 369 HB2 ALA 63 2HB ALA 63 -4.286 -12.143 -4.243 370 HB3 ALA 63 3HB ALA 63 -3.524 -11.614 -5.750 371 H PHE 64 H PHE 64 -1.606 -8.728 -4.829 372 HA PHE 64 HA PHE 64 -3.926 -7.092 -3.917 373 HB3 PHE 64 2HB PHE 64 -2.212 -5.311 -3.457 374 HD1 PHE 64 1HD PHE 64 -3.696 -7.899 -1.815 375 HD2 PHE 64 2HD PHE 64 0.007 -5.667 -1.635 376 HE1 PHE 64 1HE PHE 64 -3.504 -8.407 0.559 377 HE2 PHE 64 2HE PHE 64 0.144 -6.167 0.780 378 HZ PHE 64 HZ PHE 64 -1.596 -7.538 1.884 379 H MET 65 H MET 65 -3.475 -4.800 -5.065 380 HA MET 65 HA MET 65 -3.162 -5.192 -7.991 381 HB3 MET 65 2HB MET 65 -5.024 -3.353 -6.406 382 HG3 MET 65 2HG MET 65 -4.545 -3.786 -9.358 383 HE1 MET 65 3HE MET 65 -6.942 -0.753 -8.206 384 HE2 MET 65 1HE MET 65 -8.424 -1.663 -7.933 385 HE3 MET 65 2HE MET 65 -7.024 -1.934 -6.868 386 H ARG 66 H ARG 66 -1.432 -4.072 -8.761 387 HA ARG 66 HA ARG 66 -0.225 -1.878 -7.228 388 HB3 ARG 66 2HB ARG 66 0.343 -3.089 -9.982 389 HG3 ARG 66 2HG ARG 66 1.372 -0.496 -8.813 390 HD3 ARG 66 2HD ARG 66 3.378 -1.944 -9.061 391 HE ARG 66 HE ARG 66 2.359 -2.290 -11.820 392 HH11 ARG 66 1HH1 ARG 66 5.330 -2.288 -9.871 393 HH12 ARG 66 2HH1 ARG 66 6.045 -3.641 -10.714 394 HH21 ARG 66 1HH2 ARG 66 3.421 -3.942 -13.064 395 HH22 ARG 66 2HH2 ARG 66 5.039 -4.412 -12.646 396 H VAL 67 H VAL 67 -2.035 -0.513 -6.949 397 HA VAL 67 HA VAL 67 -3.437 0.687 -9.188 398 HB VAL 67 HB VAL 67 -3.868 2.525 -7.470 399 HG11 VAL 67 1HG1 VAL 67 -5.454 1.146 -6.193 400 HG12 VAL 67 2HG1 VAL 67 -5.443 0.741 -7.917 401 HG13 VAL 67 3HG1 VAL 67 -4.629 -0.333 -6.744 402 HG21 VAL 67 3HG2 VAL 67 -1.842 2.076 -6.023 403 HG22 VAL 67 1HG2 VAL 67 -3.360 2.170 -5.154 404 HG23 VAL 67 2HG2 VAL 67 -2.630 0.588 -5.459 405 H TYR 68 H TYR 68 -0.245 1.168 -7.772 406 HA TYR 68 HA TYR 68 -0.188 3.943 -8.685 407 HB3 TYR 68 2HB TYR 68 1.906 2.567 -6.998 408 HD1 TYR 68 1HD TYR 68 3.404 4.556 -7.631 409 HD2 TYR 68 2HD TYR 68 -0.462 5.043 -5.775 410 HE1 TYR 68 1HE TYR 68 4.098 6.749 -6.783 411 HE2 TYR 68 2HE TYR 68 0.212 7.241 -4.926 412 HH TYR 68 HH TYR 68 3.478 8.499 -5.017 413 H CYS 69 H CYS 69 0.153 3.907 -10.839 414 HA CYS 69 HA CYS 69 2.803 2.928 -11.792 415 HB3 CYS 69 2HB CYS 69 1.807 2.700 -14.051 416 HG CYS 69 HG CYS 69 -0.058 1.064 -11.875 417 H GLY 70 H GLY 70 3.412 5.090 -10.813 418 HA2 GLY 70 1HA GLY 70 3.654 7.050 -12.786 419 HA3 GLY 70 2HA GLY 70 2.358 7.563 -11.687 420 HA PRO 71 HA PRO 71 6.716 8.329 -9.956 421 HB3 PRO 71 2HB PRO 71 7.401 9.785 -11.603 422 HG3 PRO 71 2HG PRO 71 5.891 11.113 -12.833 423 HD3 PRO 71 2HD PRO 71 5.069 8.922 -12.999 424 H SER 72 H SER 72 4.197 10.889 -9.676 425 HA SER 72 HA SER 72 3.947 10.498 -6.778 426 HB3 SER 72 2HB SER 72 4.232 13.069 -6.551 427 HG SER 72 HG SER 72 5.776 12.231 -5.565 428 HA PRO 73 HA PRO 73 -0.079 11.929 -8.363 429 HB3 PRO 73 2HB PRO 73 -1.063 10.118 -9.198 430 HG3 PRO 73 2HG PRO 73 0.090 8.105 -9.171 431 HD3 PRO 73 2HD PRO 73 2.032 9.313 -9.456 432 H SER 74 H SER 74 1.045 9.874 -5.549 433 HA SER 74 HA SER 74 0.609 10.152 -3.217 434 HB3 SER 74 2HB SER 74 2.396 11.238 -2.918 435 HG SER 74 HG SER 74 3.324 12.628 -4.268 436 H CYS 75 H CYS 75 -1.536 9.727 -3.425 437 HA CYS 75 HA CYS 75 -3.701 9.895 -2.914 438 HB3 CYS 75 2HB CYS 75 -3.357 12.894 -2.632 439 HG CYS 75 HG CYS 75 -5.779 12.378 -3.302 440 H LEU 76 H LEU 76 -3.731 9.134 -5.095 441 HA LEU 76 HA LEU 76 -6.063 10.526 -5.899 442 HB3 LEU 76 2HB LEU 76 -4.552 9.556 -8.332 443 HG LEU 76 HG LEU 76 -5.786 11.127 -9.512 444 HD11 LEU 76 1HD1 LEU 76 -7.812 10.532 -7.312 445 HD12 LEU 76 2HD1 LEU 76 -7.318 9.351 -8.539 446 HD13 LEU 76 3HD1 LEU 76 -8.110 10.858 -9.026 447 HD21 LEU 76 3HD2 LEU 76 -6.364 12.614 -6.917 448 HD22 LEU 76 1HD2 LEU 76 -6.938 13.075 -8.524 449 HD23 LEU 76 2HD2 LEU 76 -5.205 13.073 -8.165 450 H VAL 77 H VAL 77 -7.185 8.722 -4.908 451 HA VAL 77 HA VAL 77 -6.874 6.147 -6.337 452 HB VAL 77 HB VAL 77 -7.186 6.373 -3.324 453 HG11 VAL 77 1HG1 VAL 77 -6.534 3.894 -4.947 454 HG12 VAL 77 2HG1 VAL 77 -7.175 4.021 -3.266 455 HG13 VAL 77 3HG1 VAL 77 -8.192 4.373 -4.655 456 HG21 VAL 77 3HG2 VAL 77 -4.774 5.592 -4.995 457 HG22 VAL 77 1HG2 VAL 77 -4.883 6.952 -3.847 458 HG23 VAL 77 2HG2 VAL 77 -4.926 5.279 -3.250 459 H GLN 78 H GLN 78 -8.675 5.951 -7.362 460 HA GLN 78 HA GLN 78 -11.120 7.380 -6.874 461 HB3 GLN 78 2HB GLN 78 -11.975 5.867 -8.681 462 HG3 GLN 78 2HG GLN 78 -9.315 7.270 -9.047 463 HE21 GLN 78 1HE2 GLN 78 -10.987 7.221 -11.927 464 HE22 GLN 78 2HE2 GLN 78 -9.944 6.084 -12.768 465 H SER 79 H SER 79 -13.069 6.651 -5.924 466 HA SER 79 HA SER 79 -13.051 4.592 -3.912 467 HB3 SER 79 2HB SER 79 -14.579 6.337 -3.643 468 HG SER 79 HG SER 79 -16.130 6.804 -5.219 469 H SER 80 H SER 80 -13.701 4.589 -7.388 470 HA SER 80 HA SER 80 -14.735 2.043 -7.823 471 HB3 SER 80 2HB SER 80 -13.670 2.329 -10.027 472 HG SER 80 HG SER 80 -14.331 4.526 -10.399 473 H SER 81 H SER 81 -11.589 2.743 -6.384 474 HA SER 81 HA SER 81 -10.716 -0.050 -6.911 475 HB3 SER 81 2HB SER 81 -8.570 0.644 -6.106 476 HG SER 81 HG SER 81 -9.369 1.495 -8.259 477 H LEU 82 H LEU 82 -11.293 2.348 -4.116 478 HA LEU 82 HA LEU 82 -10.778 0.471 -2.130 479 HB3 LEU 82 2HB LEU 82 -12.000 2.113 -0.716 480 HG LEU 82 HG LEU 82 -10.775 4.080 -1.036 481 HD11 LEU 82 1HD1 LEU 82 -8.450 3.438 -1.055 482 HD12 LEU 82 2HD1 LEU 82 -8.858 1.884 -1.831 483 HD13 LEU 82 3HD1 LEU 82 -9.384 2.224 -0.170 484 HD21 LEU 82 3HD2 LEU 82 -11.086 4.595 -3.239 485 HD22 LEU 82 1HD2 LEU 82 -9.828 3.406 -3.705 486 HD23 LEU 82 2HD2 LEU 82 -9.451 4.828 -2.684 487 H SER 83 H SER 83 -13.862 1.294 -3.750 488 HA SER 83 HA SER 83 -15.620 -0.276 -2.201 489 HB3 SER 83 2HB SER 83 -15.614 0.513 -5.141 490 HG SER 83 HG SER 83 -17.822 -0.395 -3.553 491 H ASN 84 H ASN 84 -13.517 -1.101 -4.995 492 HA ASN 84 HA ASN 84 -14.483 -3.839 -5.085 493 HB3 ASN 84 2HB ASN 84 -12.905 -4.090 -6.917 494 HD21 ASN 84 1HD2 ASN 84 -13.425 -3.614 -9.057 495 HD22 ASN 84 2HD2 ASN 84 -14.542 -2.305 -9.483 496 H ALA 85 H ALA 85 -12.451 -2.423 -2.919 497 HA ALA 85 HA ALA 85 -10.238 -4.326 -2.895 498 HB1 ALA 85 1HB ALA 85 -11.261 -2.485 -0.669 499 HB2 ALA 85 2HB ALA 85 -9.675 -3.252 -0.777 500 HB3 ALA 85 3HB ALA 85 -10.112 -1.980 -1.935 501 H HIS 86 H HIS 86 -9.940 -5.922 -1.552 502 HA HIS 86 HA HIS 86 -12.158 -7.318 -0.210 503 HB3 HIS 86 2HB HIS 86 -9.170 -7.700 -0.457 504 HD1 HIS 86 1HD HIS 86 -12.040 -10.183 0.594 505 HD2 HIS 86 2HD HIS 86 -8.435 -8.469 2.037 506 HE1 HIS 86 1HE HIS 86 -11.529 -11.321 2.786 507 H ILE 87 H ILE 87 -12.878 -6.135 1.541 508 HA ILE 87 HA ILE 87 -11.129 -4.558 3.271 509 HB ILE 87 HB ILE 87 -13.845 -5.773 3.839 510 HG13 ILE 87 2HG1 ILE 87 -14.793 -3.548 3.440 511 HG21 ILE 87 1HG2 ILE 87 -14.007 -4.046 5.649 512 HG22 ILE 87 2HG2 ILE 87 -12.738 -5.248 5.917 513 HG23 ILE 87 3HG2 ILE 87 -12.303 -3.631 5.310 514 HD11 ILE 87 3HD1 ILE 87 -12.695 -2.155 3.638 515 HD12 ILE 87 1HD1 ILE 87 -12.216 -2.835 2.047 516 HD13 ILE 87 2HD1 ILE 87 -13.682 -1.845 2.190 517 H ASP 88 H ASP 88 -9.924 -5.293 4.955 518 HA ASP 88 HA ASP 88 -9.265 -8.088 4.990 519 HB3 ASP 88 2HB ASP 88 -8.598 -5.838 6.922 520 H TYR 89 H TYR 89 -10.118 -9.681 6.123 521 HA TYR 89 HA TYR 89 -12.074 -9.149 8.283 522 HB3 TYR 89 2HB TYR 89 -12.767 -11.582 7.100 523 HD1 TYR 89 2HD TYR 89 -13.485 -8.006 6.051 524 HD2 TYR 89 1HD TYR 89 -14.964 -11.600 7.970 525 HE1 TYR 89 2HE TYR 89 -15.665 -6.870 6.493 526 HE2 TYR 89 1HE TYR 89 -17.131 -10.460 8.417 527 HH TYR 89 HH TYR 89 -18.194 -7.545 7.033 528 H THR 90 H THR 90 -9.197 -9.417 8.518 529 HA THR 90 HA THR 90 -9.162 -11.988 9.908 530 HB THR 90 HB THR 90 -6.483 -11.052 9.216 531 HG1 THR 90 1HG THR 90 -7.297 -10.275 7.281 532 HG21 THR 90 3HG2 THR 90 -7.108 -13.320 9.973 533 HG22 THR 90 1HG2 THR 90 -6.281 -13.331 8.404 534 HG23 THR 90 2HG2 THR 90 -8.053 -13.532 8.480 535 H THR 91 H THR 91 -6.980 -9.112 9.929 536 HA THR 91 HA THR 91 -6.994 -8.939 12.789 537 HB THR 91 HB THR 91 -6.139 -6.882 10.707 538 HG1 THR 91 1HG THR 91 -4.936 -8.645 10.293 539 HG21 THR 91 3HG2 THR 91 -6.262 -6.002 13.052 540 HG22 THR 91 1HG2 THR 91 -4.593 -6.105 12.465 541 HG23 THR 91 2HG2 THR 91 -5.208 -7.341 13.571 542 H LYS 92 H LYS 92 -8.481 -6.749 10.231 543 HA LYS 92 HA LYS 92 -10.594 -5.949 12.107 544 HB3 LYS 92 2HB LYS 92 -9.768 -3.439 11.635 545 HG3 LYS 92 2HG LYS 92 -7.921 -4.368 13.598 546 HD3 LYS 92 2HD LYS 92 -10.638 -2.967 13.850 547 HE3 LYS 92 2HE LYS 92 -9.431 -1.719 15.570 548 HZ1 LYS 92 3HZ LYS 92 -10.571 -3.885 16.098 549 HZ2 LYS 92 1HZ LYS 92 -9.481 -3.407 17.211 550 HZ3 LYS 92 2HZ LYS 92 -9.100 -4.596 16.138 551 HA PRO 93 HA PRO 93 -12.352 -4.846 8.130 552 HB3 PRO 93 2HB PRO 93 -14.438 -4.809 9.151 553 HG3 PRO 93 2HG PRO 93 -14.708 -3.940 11.340 554 HD3 PRO 93 2HD PRO 93 -12.951 -5.432 11.676 555 H ALA 94 H ALA 94 -10.479 -3.926 7.299 556 HA ALA 94 HA ALA 94 -10.555 -1.015 6.924 557 HB1 ALA 94 1HB ALA 94 -8.108 -0.879 7.455 558 HB2 ALA 94 2HB ALA 94 -9.078 -1.377 8.864 559 HB3 ALA 94 3HB ALA 94 -8.125 -2.580 7.980 560 H ILE 95 H ILE 95 -8.930 -0.488 5.184 561 HA ILE 95 HA ILE 95 -8.530 -2.744 3.260 562 HB ILE 95 HB ILE 95 -8.529 0.287 2.913 563 HG13 ILE 95 2HG1 ILE 95 -10.733 -0.870 2.983 564 HG21 ILE 95 1HG2 ILE 95 -6.666 -0.739 1.587 565 HG22 ILE 95 2HG2 ILE 95 -7.833 -1.867 0.878 566 HG23 ILE 95 3HG2 ILE 95 -7.948 -0.110 0.569 567 HD11 ILE 95 3HD1 ILE 95 -10.156 -0.268 0.063 568 HD12 ILE 95 1HD1 ILE 95 -11.724 -0.308 0.882 569 HD13 ILE 95 2HD1 ILE 95 -10.557 0.955 1.288 570 H ILE 96 H ILE 96 -6.605 -3.732 3.501 571 HA ILE 96 HA ILE 96 -4.358 -2.496 4.938 572 HB ILE 96 HB ILE 96 -4.404 -5.011 3.227 573 HG13 ILE 96 2HG1 ILE 96 -4.613 -6.305 5.291 574 HG21 ILE 96 1HG2 ILE 96 -2.447 -5.674 4.663 575 HG22 ILE 96 2HG2 ILE 96 -2.171 -4.283 3.608 576 HG23 ILE 96 3HG2 ILE 96 -2.452 -4.035 5.367 577 HD11 ILE 96 3HD1 ILE 96 -4.000 -4.591 7.035 578 HD12 ILE 96 1HD1 ILE 96 -5.538 -3.760 6.659 579 HD13 ILE 96 2HD1 ILE 96 -5.553 -5.400 7.330 580 H PHE 97 H PHE 97 -2.652 -1.592 4.097 581 HA PHE 97 HA PHE 97 -2.384 -1.222 1.148 582 HB3 PHE 97 2HB PHE 97 -1.337 1.061 2.103 583 HD1 PHE 97 2HD PHE 97 -2.141 1.264 -0.223 584 HD2 PHE 97 1HD PHE 97 -4.886 1.095 3.084 585 HE1 PHE 97 2HE PHE 97 -3.881 2.263 -1.642 586 HE2 PHE 97 1HE PHE 97 -6.657 2.093 1.664 587 HZ PHE 97 HZ PHE 97 -6.168 2.707 -0.693 588 H ARG 98 H ARG 98 -0.413 -1.781 0.444 589 HA ARG 98 HA ARG 98 1.901 -1.532 2.353 590 HB3 ARG 98 2HB ARG 98 3.109 -2.690 0.287 591 HG3 ARG 98 2HG ARG 98 1.703 -4.858 1.696 592 HD3 ARG 98 2HD ARG 98 4.557 -3.830 1.959 593 HE ARG 98 HE ARG 98 4.268 -6.648 2.055 594 HH11 ARG 98 1HH1 ARG 98 4.094 -3.854 4.318 595 HH12 ARG 98 2HH1 ARG 98 4.697 -4.814 5.630 596 HH21 ARG 98 1HH2 ARG 98 4.884 -7.813 3.750 597 HH22 ARG 98 2HH2 ARG 98 4.974 -7.207 5.361 598 H ILE 99 H ILE 99 3.305 0.057 1.835 599 HA ILE 99 HA ILE 99 3.105 1.399 -0.798 600 HB ILE 99 HB ILE 99 3.328 2.833 1.897 601 HG13 ILE 99 2HG1 ILE 99 0.970 1.970 1.318 602 HG21 ILE 99 1HG2 ILE 99 3.141 4.003 -0.908 603 HG22 ILE 99 2HG2 ILE 99 3.309 4.911 0.600 604 HG23 ILE 99 3HG2 ILE 99 4.619 3.903 0.021 605 HD11 ILE 99 3HD1 ILE 99 -0.191 4.002 1.801 606 HD12 ILE 99 1HD1 ILE 99 1.294 3.915 2.785 607 HD13 ILE 99 2HD1 ILE 99 1.221 4.965 1.352 608 H ALA 100 H ALA 100 5.218 1.774 -1.612 609 HA ALA 100 HA ALA 100 7.426 1.607 0.263 610 HB1 ALA 100 1HB ALA 100 7.050 -0.800 -0.239 611 HB2 ALA 100 2HB ALA 100 7.133 -0.466 -1.982 612 HB3 ALA 100 3HB ALA 100 8.570 -0.253 -0.960 613 H ALA 101 H ALA 101 9.278 2.459 -0.412 614 HA ALA 101 HA ALA 101 9.260 4.438 -2.505 615 HB1 ALA 101 1HB ALA 101 11.486 4.895 -1.700 616 HB2 ALA 101 2HB ALA 101 10.438 4.638 -0.295 617 HB3 ALA 101 3HB ALA 101 11.560 3.350 -0.811 618 H ARG 102 H ARG 102 9.971 4.235 -4.625 619 HA ARG 102 HA ARG 102 11.117 1.621 -5.433 620 HB3 ARG 102 2HB ARG 102 10.397 4.032 -7.101 621 HG3 ARG 102 2HG ARG 102 11.875 2.626 -8.347 622 HD3 ARG 102 2HD ARG 102 10.417 0.443 -7.153 623 HE ARG 102 HE ARG 102 9.549 0.716 -9.698 624 HH11 ARG 102 1HH1 ARG 102 11.677 -1.628 -8.145 625 HH12 ARG 102 2HH1 ARG 102 11.464 -2.894 -9.297 626 HH21 ARG 102 1HH2 ARG 102 8.892 -1.040 -11.032 627 HH22 ARG 102 2HH2 ARG 102 9.619 -2.602 -10.878 628 H ASN 103 H ASN 103 13.118 1.658 -4.536 629 HA ASN 103 HA ASN 103 15.056 3.608 -5.690 630 HB3 ASN 103 2HB ASN 103 15.053 4.104 -3.363 631 HD21 ASN 103 1HD2 ASN 103 15.234 0.467 -3.667 632 HD22 ASN 103 2HD2 ASN 103 14.790 0.190 -2.023 633 H GLU 104 H GLU 104 17.253 2.530 -5.853 634 HA GLU 104 HA GLU 104 17.019 0.486 -7.701 635 HB3 GLU 104 2HB GLU 104 19.467 0.148 -7.468 636 HG3 GLU 104 2HG GLU 104 18.742 3.091 -7.321 637 H LYS 105 H LYS 105 17.663 0.207 -4.236 638 HA LYS 105 HA LYS 105 18.501 -2.452 -4.061 639 HB3 LYS 105 2HB LYS 105 16.909 -2.019 -1.774 640 HG3 LYS 105 2HG LYS 105 18.812 -1.344 -0.578 641 HD3 LYS 105 2HD LYS 105 20.328 -2.903 -2.601 642 HE3 LYS 105 2HE LYS 105 20.398 -4.593 -0.640 643 HZ1 LYS 105 3HZ LYS 105 22.248 -3.152 -0.690 644 HZ2 LYS 105 1HZ LYS 105 21.719 -3.244 0.839 645 HZ3 LYS 105 2HZ LYS 105 21.395 -1.890 0.019 646 H GLY 106 H GLY 106 15.324 -1.427 -4.887 647 HA2 GLY 106 1HA GLY 106 13.599 -2.940 -5.635 648 HA3 GLY 106 2HA GLY 106 14.217 -4.183 -4.553 649 H TYR 107 H TYR 107 11.639 -3.802 -4.226 650 HA TYR 107 HA TYR 107 11.011 -1.758 -2.220 651 HB3 TYR 107 2HB TYR 107 8.786 -2.807 -2.238 652 HD1 TYR 107 1HD TYR 107 9.520 -0.307 -3.184 653 HD2 TYR 107 2HD TYR 107 8.708 -3.824 -5.527 654 HE1 TYR 107 1HE TYR 107 8.649 1.112 -5.049 655 HE2 TYR 107 2HE TYR 107 7.969 -2.433 -7.423 656 HH TYR 107 HH TYR 107 7.313 -0.238 -8.063 657 H GLY 108 H GLY 108 13.005 -2.827 -1.267 658 HA2 GLY 108 1HA GLY 108 12.840 -5.161 0.394 659 HA3 GLY 108 2HA GLY 108 13.989 -3.829 0.575 660 HA PRO 109 HA PRO 109 11.331 -2.308 3.860 661 HB3 PRO 109 2HB PRO 109 12.697 -0.419 4.038 662 HG3 PRO 109 2HG PRO 109 13.449 0.781 2.220 663 HD3 PRO 109 2HD PRO 109 14.013 -1.344 1.317 664 H ALA 110 H ALA 110 9.104 -2.132 4.160 665 HA ALA 110 HA ALA 110 7.523 -0.488 2.391 666 HB1 ALA 110 1HB ALA 110 6.758 -3.430 2.688 667 HB2 ALA 110 2HB ALA 110 5.864 -2.150 1.818 668 HB3 ALA 110 3HB ALA 110 7.431 -2.705 1.213 669 H THR 111 H THR 111 5.633 0.185 3.477 670 HA THR 111 HA THR 111 5.571 -0.315 6.381 671 HB THR 111 HB THR 111 5.300 1.971 5.464 672 HG1 THR 111 1HG THR 111 4.263 2.170 7.250 673 HG21 THR 111 3HG2 THR 111 3.182 2.676 4.468 674 HG22 THR 111 1HG2 THR 111 2.717 0.963 4.244 675 HG23 THR 111 2HG2 THR 111 4.152 1.614 3.434 676 H GLN 112 H GLN 112 3.286 -0.754 7.279 677 HA GLN 112 HA GLN 112 1.630 -2.501 5.593 678 HB3 GLN 112 2HB GLN 112 2.491 -3.273 8.398 679 HG3 GLN 112 2HG GLN 112 1.269 -5.428 6.985 680 HE21 GLN 112 1HE2 GLN 112 -0.114 -2.873 9.145 681 HE22 GLN 112 2HE2 GLN 112 -0.347 -3.962 10.524 682 H VAL 113 H VAL 113 0.093 -0.839 5.398 683 HA VAL 113 HA VAL 113 -0.826 0.423 7.946 684 HB VAL 113 HB VAL 113 -1.026 1.470 5.082 685 HG11 VAL 113 1HG1 VAL 113 -1.687 2.789 7.753 686 HG12 VAL 113 2HG1 VAL 113 -1.593 3.641 6.203 687 HG13 VAL 113 3HG1 VAL 113 -2.825 2.416 6.426 688 HG21 VAL 113 3HG2 VAL 113 0.818 2.390 7.329 689 HG22 VAL 113 1HG2 VAL 113 1.296 1.530 5.852 690 HG23 VAL 113 2HG2 VAL 113 0.635 3.151 5.729 691 H ARG 114 H ARG 114 -3.140 0.829 8.006 692 HA ARG 114 HA ARG 114 -4.825 -0.777 6.287 693 HB3 ARG 114 2HB ARG 114 -4.376 -2.340 8.063 694 HG3 ARG 114 2HG ARG 114 -5.290 -1.851 10.365 695 HD3 ARG 114 2HD ARG 114 -2.654 -0.476 9.696 696 HE ARG 114 HE ARG 114 -2.752 -0.072 11.868 697 HH11 ARG 114 1HH1 ARG 114 -3.971 -3.462 11.522 698 HH12 ARG 114 2HH1 ARG 114 -4.541 -3.436 13.185 699 HH21 ARG 114 1HH2 ARG 114 -3.070 -0.418 14.125 700 HH22 ARG 114 2HH2 ARG 114 -3.757 -1.912 14.664 701 H TRP 115 H TRP 115 -6.588 0.455 5.809 702 HA TRP 115 HA TRP 115 -6.785 3.120 7.007 703 HB3 TRP 115 2HB TRP 115 -8.435 1.742 4.859 704 HD1 TRP 115 HD TRP 115 -8.039 5.021 6.788 705 HE1 TRP 115 1HE TRP 115 -9.656 6.753 5.830 706 HE3 TRP 115 3HE TRP 115 -9.720 2.451 2.699 707 HZ2 TRP 115 2HZ TRP 115 -11.317 7.056 3.538 708 HZ3 TRP 115 3HZ TRP 115 -11.211 3.592 1.029 709 HH2 TRP 115 HH TRP 115 -12.034 5.919 1.492 710 H LEU 116 H LEU 116 -7.364 2.447 9.263 711 HA LEU 116 HA LEU 116 -9.627 0.685 9.665 712 HB3 LEU 116 2HB LEU 116 -9.635 1.483 11.986 713 HG LEU 116 HG LEU 116 -6.698 1.099 11.426 714 HD11 LEU 116 1HD1 LEU 116 -7.570 1.539 13.739 715 HD12 LEU 116 2HD1 LEU 116 -6.796 -0.046 13.584 716 HD13 LEU 116 3HD1 LEU 116 -8.574 0.091 13.620 717 HD21 LEU 116 3HD2 LEU 116 -7.221 -1.424 11.660 718 HD22 LEU 116 1HD2 LEU 116 -7.524 -0.654 10.106 719 HD23 LEU 116 2HD2 LEU 116 -8.883 -1.011 11.198 720 H GLN 117 H GLN 117 -9.547 4.066 8.840 721 HA GLN 117 HA GLN 117 -12.018 4.863 10.020 722 HB3 GLN 117 2HB GLN 117 -10.912 5.831 7.401 723 HG3 GLN 117 2HG GLN 117 -11.793 7.517 9.735 724 HE21 GLN 117 1HE2 GLN 117 -11.617 9.732 9.143 725 HE22 GLN 117 2HE2 GLN 117 -11.559 10.297 7.485 726 H GLU 118 H GLU 118 -11.347 2.539 7.409 727 HA GLU 118 HA GLU 118 -13.913 3.029 6.069 728 HB3 GLU 118 2HB GLU 118 -11.125 2.070 5.314 729 HG3 GLU 118 2HG GLU 118 -12.661 0.538 4.294 730 H THR 119 H THR 119 -15.084 0.978 5.611 731 HA THR 119 HA THR 119 -14.466 -1.429 7.088 732 HB THR 119 HB THR 119 -16.383 0.668 8.177 733 HG1 THR 119 1HG THR 119 -14.025 0.074 8.799 734 HG21 THR 119 3HG2 THR 119 -16.431 -2.289 8.912 735 HG22 THR 119 1HG2 THR 119 -17.747 -1.353 8.179 736 HG23 THR 119 2HG2 THR 119 -17.212 -0.975 9.807 737 H SER 120 H SER 120 -15.834 -3.091 6.360 738 HA SER 120 HA SER 120 -16.990 -2.621 3.794 739 HB3 SER 120 2HB SER 120 -17.548 -5.082 5.532 740 HG SER 120 HG SER 120 -17.136 -4.605 2.751 741 H LYS 121 H LYS 121 -19.172 -2.876 3.132 742 HA LYS 121 HA LYS 121 -21.321 -3.271 4.981 743 HB3 LYS 121 2HB LYS 121 -22.349 -1.126 3.521 744 HG3 LYS 121 2HG LYS 121 -21.733 0.285 5.689 745 HD3 LYS 121 2HD LYS 121 -23.300 -1.364 7.071 746 HE3 LYS 121 2HE LYS 121 -24.009 0.870 6.371 747 HZ1 LYS 121 3HZ LYS 121 -23.644 0.760 4.025 748 HZ2 LYS 121 1HZ LYS 121 -25.194 1.126 4.290 749 HZ3 LYS 121 2HZ LYS 121 -24.786 -0.422 3.810 750 H ASP 122 H ASP 122 -23.263 -3.657 3.664 751 HA ASP 122 HA ASP 122 -24.406 -4.605 1.998 752 HB3 ASP 122 2HB ASP 122 -24.696 -3.011 0.224 753 H SER 123 H SER 123 -21.892 -6.005 2.188 754 HA SER 123 HA SER 123 -20.579 -6.575 -0.208 755 HB3 SER 123 2HB SER 123 -21.137 -7.951 2.408 756 HG SER 123 HG SER 123 -19.630 -9.604 1.754 757 H SER 124 H SER 124 -20.632 -8.325 -1.623 758 HA SER 124 HA SER 124 -21.512 -9.688 -3.138 759 HB3 SER 124 2HB SER 124 -23.822 -10.473 -1.351 760 HG SER 124 HG SER 124 -21.832 -11.817 -2.903 761 H GLY 125 H GLY 125 -24.470 -10.181 -3.614 762 HA2 GLY 125 1HA GLY 125 -25.775 -7.701 -4.032 763 HA3 GLY 125 2HA GLY 125 -24.852 -8.092 -5.492 764 H THR 126 H THR 126 -25.974 -9.238 -6.983 765 HA THR 126 HA THR 126 -27.661 -11.467 -6.325 766 HB THR 126 HB THR 126 -29.321 -10.556 -8.103 767 HG1 THR 126 1HG THR 126 -29.506 -8.313 -8.169 768 HG21 THR 126 3HG2 THR 126 -30.740 -9.470 -6.435 769 HG22 THR 126 1HG2 THR 126 -29.362 -9.255 -5.350 770 HG23 THR 126 2HG2 THR 126 -29.937 -10.884 -5.734 Start of MODEL 4 1 H1 GLY 1 H GLY 1 31.221 -1.147 2.277 2 HA2 GLY 1 1HA GLY 1 29.166 0.024 1.525 3 HA3 GLY 1 2HA GLY 1 29.365 -1.594 0.819 4 H CYS 2 H CYS 2 27.441 -2.519 0.704 5 HA CYS 2 HA CYS 2 25.168 -1.897 2.233 6 HB3 CYS 2 2HB CYS 2 25.610 -4.561 0.828 7 HG CYS 2 HG CYS 2 23.210 -4.503 -0.053 8 H LEU 3 H LEU 3 23.879 -3.527 3.481 9 HA LEU 3 HA LEU 3 25.161 -5.641 4.891 10 HB3 LEU 3 2HB LEU 3 25.852 -4.033 6.504 11 HG LEU 3 HG LEU 3 23.188 -2.682 6.071 12 HD11 LEU 3 1HD1 LEU 3 22.932 -3.381 8.372 13 HD12 LEU 3 2HD1 LEU 3 23.371 -1.668 8.373 14 HD13 LEU 3 3HD1 LEU 3 24.598 -2.885 8.768 15 HD21 LEU 3 3HD2 LEU 3 24.510 -0.669 6.512 16 HD22 LEU 3 1HD2 LEU 3 25.306 -1.640 5.265 17 HD23 LEU 3 2HD2 LEU 3 25.931 -1.659 6.931 18 HA PRO 4 HA PRO 4 20.925 -6.964 4.440 19 HB3 PRO 4 2HB PRO 4 21.322 -9.003 5.378 20 HG3 PRO 4 2HG PRO 4 22.943 -9.252 7.083 21 HD3 PRO 4 2HD PRO 4 24.043 -7.939 5.464 22 H GLY 5 H GLY 5 18.724 -7.056 5.653 23 HA2 GLY 5 1HA GLY 5 16.964 -5.912 6.514 24 HA3 GLY 5 2HA GLY 5 18.078 -4.923 7.482 25 H PHE 6 H PHE 6 15.692 -4.091 5.881 26 HA PHE 6 HA PHE 6 17.046 -1.968 4.372 27 HB3 PHE 6 2HB PHE 6 15.102 -1.820 2.802 28 HD1 PHE 6 2HD PHE 6 18.188 -2.539 2.831 29 HD2 PHE 6 1HD PHE 6 14.680 -4.391 1.210 30 HE1 PHE 6 2HE PHE 6 19.592 -3.639 1.330 31 HE2 PHE 6 1HE PHE 6 16.174 -5.443 -0.585 32 HZ PHE 6 HZ PHE 6 18.600 -5.156 -0.494 33 HA PRO 7 HA PRO 7 14.828 -0.632 8.088 34 HB3 PRO 7 2HB PRO 7 16.927 -0.342 8.994 35 HG3 PRO 7 2HG PRO 7 18.713 0.454 7.670 36 HD3 PRO 7 2HD PRO 7 18.013 -1.349 6.305 37 H GLY 8 H GLY 8 14.428 0.513 5.152 38 HA2 GLY 8 1HA GLY 8 13.701 3.343 5.548 39 HA3 GLY 8 2HA GLY 8 13.574 2.353 4.090 40 H ALA 9 H ALA 9 11.696 1.929 3.524 41 HA ALA 9 HA ALA 9 9.538 1.513 3.292 42 HB1 ALA 9 1HB ALA 9 8.198 0.665 4.930 43 HB2 ALA 9 2HB ALA 9 9.749 0.406 5.713 44 HB3 ALA 9 3HB ALA 9 8.773 1.808 6.170 45 HA PRO 10 HA PRO 10 8.059 5.796 3.664 46 HB3 PRO 10 2HB PRO 10 6.767 5.324 1.787 47 HG3 PRO 10 2HG PRO 10 5.672 3.249 1.548 48 HD3 PRO 10 2HD PRO 10 7.805 2.539 2.004 49 H CYS 11 H CYS 11 6.556 7.191 4.983 50 HA CYS 11 HA CYS 11 5.353 5.842 7.333 51 HB3 CYS 11 2HB CYS 11 6.504 7.663 8.732 52 HG CYS 11 HG CYS 11 8.790 6.565 9.146 53 H ALA 12 H ALA 12 4.527 7.892 8.706 54 HA ALA 12 HA ALA 12 2.770 9.287 8.988 55 HB1 ALA 12 1HB ALA 12 3.128 11.501 8.089 56 HB2 ALA 12 2HB ALA 12 4.695 10.775 8.476 57 HB3 ALA 12 3HB ALA 12 4.130 10.838 6.788 58 H ILE 13 H ILE 13 2.008 7.195 7.215 59 HA ILE 13 HA ILE 13 0.794 8.133 4.883 60 HB ILE 13 HB ILE 13 0.252 5.657 6.580 61 HG13 ILE 13 2HG1 ILE 13 2.363 6.482 4.635 62 HG21 ILE 13 1HG2 ILE 13 -0.448 6.185 3.676 63 HG22 ILE 13 2HG2 ILE 13 -0.643 4.646 4.501 64 HG23 ILE 13 3HG2 ILE 13 -1.626 6.022 5.004 65 HD11 ILE 13 3HD1 ILE 13 2.247 4.073 6.455 66 HD12 ILE 13 1HD1 ILE 13 3.659 4.691 5.562 67 HD13 ILE 13 2HD1 ILE 13 2.958 5.639 6.893 68 H LYS 14 H LYS 14 -1.223 8.842 4.334 69 HA LYS 14 HA LYS 14 -3.255 9.271 6.483 70 HB3 LYS 14 2HB LYS 14 -3.932 11.318 5.054 71 HG3 LYS 14 2HG LYS 14 -1.877 12.698 5.915 72 HD3 LYS 14 2HD LYS 14 -3.878 11.221 7.661 73 HE3 LYS 14 2HE LYS 14 -1.592 12.996 8.455 74 HZ1 LYS 14 3HZ LYS 14 -3.384 14.405 9.042 75 HZ2 LYS 14 1HZ LYS 14 -2.960 13.596 10.424 76 HZ3 LYS 14 2HZ LYS 14 -4.306 13.182 9.588 77 H ILE 15 H ILE 15 -5.368 8.847 5.815 78 HA ILE 15 HA ILE 15 -5.933 8.032 3.098 79 HB ILE 15 HB ILE 15 -6.586 6.003 5.260 80 HG13 ILE 15 2HG1 ILE 15 -4.091 6.190 5.039 81 HG21 ILE 15 1HG2 ILE 15 -7.942 5.969 3.187 82 HG22 ILE 15 2HG2 ILE 15 -6.471 5.860 2.206 83 HG23 ILE 15 3HG2 ILE 15 -6.947 4.523 3.262 84 HD11 ILE 15 3HD1 ILE 15 -5.065 3.493 4.108 85 HD12 ILE 15 1HD1 ILE 15 -3.623 3.890 5.053 86 HD13 ILE 15 2HD1 ILE 15 -5.220 4.081 5.789 87 H SER 16 H SER 16 -7.993 8.519 2.714 88 HA SER 16 HA SER 16 -10.076 8.567 4.737 89 HB3 SER 16 2HB SER 16 -9.752 11.194 3.293 90 HG SER 16 HG SER 16 -10.711 11.982 5.054 91 H LYS 17 H LYS 17 -12.279 9.087 3.554 92 HA LYS 17 HA LYS 17 -12.112 7.814 0.899 93 HB3 LYS 17 2HB LYS 17 -14.721 8.729 2.137 94 HG3 LYS 17 2HG LYS 17 -13.775 6.446 0.384 95 HD3 LYS 17 2HD LYS 17 -16.427 6.323 1.872 96 HE3 LYS 17 2HE LYS 17 -14.756 4.373 0.194 97 HZ1 LYS 17 3HZ LYS 17 -17.256 3.588 1.511 98 HZ2 LYS 17 1HZ LYS 17 -15.775 3.285 2.176 99 HZ3 LYS 17 2HZ LYS 17 -16.164 2.687 0.690 100 H SER 18 H SER 18 -13.455 8.815 -0.932 101 HA SER 18 HA SER 18 -13.801 11.714 -0.865 102 HB3 SER 18 2HB SER 18 -12.726 11.763 -3.187 103 HG SER 18 HG SER 18 -10.594 11.745 -2.447 104 HA PRO 19 HA PRO 19 -17.459 10.374 -2.993 105 HB3 PRO 19 2HB PRO 19 -18.134 12.532 -3.353 106 HG3 PRO 19 2HG PRO 19 -16.567 14.223 -3.990 107 HD3 PRO 19 2HD PRO 19 -15.791 13.157 -2.003 108 H ASP 20 H ASP 20 -14.539 10.755 -4.940 109 HA ASP 20 HA ASP 20 -15.611 9.024 -7.099 110 HB3 ASP 20 2HB ASP 20 -13.871 10.376 -8.413 111 H GLY 21 H GLY 21 -13.961 8.302 -4.524 112 HA2 GLY 21 1HA GLY 21 -12.463 6.190 -5.059 113 HA3 GLY 21 2HA GLY 21 -11.388 7.483 -5.629 114 H ALA 22 H ALA 22 -9.832 7.365 -3.899 115 HA ALA 22 HA ALA 22 -10.837 8.377 -1.277 116 HB1 ALA 22 1HB ALA 22 -9.015 5.993 -1.720 117 HB2 ALA 22 2HB ALA 22 -9.154 6.816 -0.159 118 HB3 ALA 22 3HB ALA 22 -10.569 6.019 -0.861 119 H HIS 23 H HIS 23 -9.079 9.263 0.057 120 HA HIS 23 HA HIS 23 -6.992 10.750 -1.468 121 HB3 HIS 23 2HB HIS 23 -6.875 11.549 1.187 122 HD1 HIS 23 1HD HIS 23 -9.819 13.254 -0.463 123 HD2 HIS 23 2HD HIS 23 -5.612 13.301 -0.440 124 HE1 HIS 23 1HE HIS 23 -9.132 15.434 -1.560 125 H LEU 24 H LEU 24 -4.863 10.254 -1.117 126 HA LEU 24 HA LEU 24 -4.064 8.295 0.932 127 HB3 LEU 24 2HB LEU 24 -2.935 7.010 -1.024 128 HG LEU 24 HG LEU 24 -5.441 6.646 0.264 129 HD11 LEU 24 1HD1 LEU 24 -5.661 5.930 -2.677 130 HD12 LEU 24 2HD1 LEU 24 -6.529 7.259 -1.875 131 HD13 LEU 24 3HD1 LEU 24 -6.833 5.580 -1.381 132 HD21 LEU 24 3HD2 LEU 24 -3.515 5.094 0.215 133 HD22 LEU 24 1HD2 LEU 24 -4.013 4.573 -1.396 134 HD23 LEU 24 2HD2 LEU 24 -5.098 4.356 -0.005 135 H THR 25 H THR 25 -2.264 9.346 1.817 136 HA THR 25 HA THR 25 -0.114 9.886 -0.120 137 HB THR 25 HB THR 25 0.638 11.889 0.901 138 HG1 THR 25 1HG THR 25 0.243 11.995 2.918 139 HG21 THR 25 3HG2 THR 25 -1.242 12.165 -0.771 140 HG22 THR 25 1HG2 THR 25 -1.052 13.498 0.368 141 HG23 THR 25 2HG2 THR 25 -2.353 12.318 0.620 142 H TRP 26 H TRP 26 2.018 10.075 1.032 143 HA TRP 26 HA TRP 26 2.446 8.820 3.608 144 HB3 TRP 26 2HB TRP 26 2.737 6.807 2.560 145 HD1 TRP 26 HD TRP 26 5.004 7.842 -0.302 146 HE1 TRP 26 1HE TRP 26 3.917 7.124 -2.519 147 HE3 TRP 26 3HE TRP 26 0.411 6.476 1.444 148 HZ2 TRP 26 2HZ TRP 26 1.358 6.072 -3.395 149 HZ3 TRP 26 3HZ TRP 26 -1.372 5.751 -0.120 150 HH2 TRP 26 HH TRP 26 -0.910 5.583 -2.546 151 H GLU 27 H GLU 27 4.889 9.042 4.035 152 HA GLU 27 HA GLU 27 5.948 11.446 2.651 153 HB3 GLU 27 2HB GLU 27 5.378 11.528 5.159 154 HG3 GLU 27 2HG GLU 27 8.117 10.256 5.436 155 HA PRO 28 HA PRO 28 9.113 8.737 1.261 156 HB3 PRO 28 2HB PRO 28 9.668 10.454 -0.205 157 HG3 PRO 28 2HG PRO 28 9.729 12.716 0.520 158 HD3 PRO 28 2HD PRO 28 7.620 12.031 1.218 159 HA PRO 29 HA PRO 29 11.670 7.308 4.503 160 HB3 PRO 29 2HB PRO 29 12.777 5.739 3.287 161 HG3 PRO 29 2HG PRO 29 12.885 6.000 0.947 162 HD3 PRO 29 2HD PRO 29 10.727 6.820 1.344 163 H SER 30 H SER 30 12.807 8.183 6.178 164 HA SER 30 HA SER 30 14.686 10.411 5.649 165 HB3 SER 30 2HB SER 30 12.652 10.269 7.919 166 HG SER 30 HG SER 30 14.290 11.848 8.091 167 H VAL 31 H VAL 31 15.075 7.522 6.387 168 HA VAL 31 HA VAL 31 16.178 7.746 9.116 169 HB VAL 31 HB VAL 31 15.782 5.222 7.473 170 HG11 VAL 31 1HG1 VAL 31 15.895 4.090 9.638 171 HG12 VAL 31 2HG1 VAL 31 17.409 4.904 9.232 172 HG13 VAL 31 3HG1 VAL 31 16.298 5.635 10.418 173 HG21 VAL 31 3HG2 VAL 31 13.987 6.468 9.608 174 HG22 VAL 31 1HG2 VAL 31 13.578 6.279 7.884 175 HG23 VAL 31 2HG2 VAL 31 13.779 4.853 8.898 176 H THR 32 H THR 32 17.265 6.925 5.785 177 HA THR 32 HA THR 32 19.837 7.991 6.433 178 HB THR 32 HB THR 32 21.237 6.222 5.681 179 HG1 THR 32 1HG THR 32 18.895 4.648 5.321 180 HG21 THR 32 3HG2 THR 32 21.053 4.473 7.353 181 HG22 THR 32 1HG2 THR 32 19.408 4.973 7.759 182 HG23 THR 32 2HG2 THR 32 20.779 6.068 8.070 183 H SER 33 H SER 33 21.203 8.046 4.302 184 HA SER 33 HA SER 33 20.009 9.673 2.587 185 HB3 SER 33 2HB SER 33 22.363 9.571 2.725 186 HG SER 33 HG SER 33 23.577 7.812 2.170 187 H GLY 34 H GLY 34 20.601 6.241 1.610 188 HA2 GLY 34 1HA GLY 34 19.527 4.832 0.247 189 HA3 GLY 34 2HA GLY 34 18.095 5.882 0.291 190 H LYS 35 H LYS 35 18.566 4.654 -2.071 191 HA LYS 35 HA LYS 35 18.756 7.132 -3.580 192 HB3 LYS 35 2HB LYS 35 19.533 5.758 -5.571 193 HG3 LYS 35 2HG LYS 35 21.667 6.026 -3.429 194 HD3 LYS 35 2HD LYS 35 22.164 5.071 -5.667 195 HE3 LYS 35 2HE LYS 35 21.118 7.821 -6.470 196 HZ1 LYS 35 3HZ LYS 35 23.138 6.296 -7.945 197 HZ2 LYS 35 1HZ LYS 35 23.104 7.917 -7.593 198 HZ3 LYS 35 2HZ LYS 35 22.058 7.258 -8.708 199 H ILE 36 H ILE 36 16.513 7.268 -3.691 200 HA ILE 36 HA ILE 36 14.942 4.910 -4.562 201 HB ILE 36 HB ILE 36 14.228 7.565 -3.282 202 HG13 ILE 36 2HG1 ILE 36 13.683 4.647 -2.661 203 HG21 ILE 36 1HG2 ILE 36 11.844 6.956 -3.487 204 HG22 ILE 36 2HG2 ILE 36 12.550 7.319 -5.052 205 HG23 ILE 36 3HG2 ILE 36 12.253 5.626 -4.575 206 HD11 ILE 36 3HD1 ILE 36 14.635 5.095 -0.443 207 HD12 ILE 36 1HD1 ILE 36 15.835 5.122 -1.736 208 HD13 ILE 36 2HD1 ILE 36 15.241 6.660 -1.040 209 H ILE 37 H ILE 37 13.700 4.989 -6.472 210 HA ILE 37 HA ILE 37 14.412 7.131 -8.395 211 HB ILE 37 HB ILE 37 14.364 5.405 -10.135 212 HG13 ILE 37 2HG1 ILE 37 13.018 3.631 -8.992 213 HG21 ILE 37 1HG2 ILE 37 16.412 4.755 -7.973 214 HG22 ILE 37 2HG2 ILE 37 16.614 4.643 -9.734 215 HG23 ILE 37 3HG2 ILE 37 16.442 6.219 -8.974 216 HD11 ILE 37 3HD1 ILE 37 14.516 3.050 -10.939 217 HD12 ILE 37 1HD1 ILE 37 15.742 2.530 -9.750 218 HD13 ILE 37 2HD1 ILE 37 14.179 1.713 -9.826 219 H GLU 38 H GLU 38 11.851 4.950 -7.096 220 HA GLU 38 HA GLU 38 9.768 6.497 -8.376 221 HB3 GLU 38 2HB GLU 38 9.632 3.612 -9.142 222 HG3 GLU 38 2HG GLU 38 9.321 6.276 -10.580 223 H TYR 39 H TYR 39 7.583 4.932 -7.846 224 HA TYR 39 HA TYR 39 7.950 3.651 -5.196 225 HB3 TYR 39 2HB TYR 39 5.700 4.845 -4.647 226 HD1 TYR 39 2HD TYR 39 8.496 7.207 -5.425 227 HD2 TYR 39 1HD TYR 39 6.450 4.818 -2.463 228 HE1 TYR 39 2HE TYR 39 9.912 8.182 -3.660 229 HE2 TYR 39 1HE TYR 39 7.847 5.818 -0.685 230 HH TYR 39 HH TYR 39 10.477 8.152 -1.394 231 H SER 40 H SER 40 5.973 2.410 -4.568 232 HA SER 40 HA SER 40 4.114 1.790 -6.745 233 HB3 SER 40 2HB SER 40 5.695 -0.386 -5.289 234 HG SER 40 HG SER 40 3.613 -0.999 -6.183 235 H VAL 41 H VAL 41 2.195 0.873 -5.973 236 HA VAL 41 HA VAL 41 1.834 0.543 -3.069 237 HB VAL 41 HB VAL 41 -0.105 1.930 -4.970 238 HG11 VAL 41 1HG1 VAL 41 -1.334 0.743 -3.175 239 HG12 VAL 41 2HG1 VAL 41 -0.257 1.452 -1.958 240 HG13 VAL 41 3HG1 VAL 41 -1.375 2.473 -2.881 241 HG21 VAL 41 3HG2 VAL 41 0.319 3.922 -3.571 242 HG22 VAL 41 1HG2 VAL 41 1.646 3.070 -2.761 243 HG23 VAL 41 2HG2 VAL 41 1.722 3.433 -4.499 244 H TYR 42 H TYR 42 0.344 -1.069 -2.566 245 HA TYR 42 HA TYR 42 -0.888 -2.581 -4.762 246 HB3 TYR 42 2HB TYR 42 -0.281 -4.710 -3.703 247 HD1 TYR 42 2HD TYR 42 2.696 -2.550 -2.973 248 HD2 TYR 42 1HD TYR 42 0.857 -5.348 -5.715 249 HE1 TYR 42 2HE TYR 42 4.732 -2.537 -4.342 250 HE2 TYR 42 1HE TYR 42 2.889 -5.316 -7.104 251 HH TYR 42 HH TYR 42 5.350 -2.928 -6.787 252 H LEU 43 H LEU 43 -2.857 -3.486 -4.138 253 HA LEU 43 HA LEU 43 -3.968 -2.659 -1.447 254 HB3 LEU 43 2HB LEU 43 -5.915 -2.696 -3.673 255 HG LEU 43 HG LEU 43 -5.356 -0.685 -1.518 256 HD11 LEU 43 1HD1 LEU 43 -6.300 0.308 -3.600 257 HD12 LEU 43 2HD1 LEU 43 -7.456 0.372 -2.262 258 HD13 LEU 43 3HD1 LEU 43 -7.655 -0.849 -3.531 259 HD21 LEU 43 3HD2 LEU 43 -7.661 -1.422 -0.802 260 HD22 LEU 43 1HD2 LEU 43 -6.361 -2.560 -0.455 261 HD23 LEU 43 2HD2 LEU 43 -7.462 -2.849 -1.831 262 H ALA 44 H ALA 44 -5.092 -4.312 -0.418 263 HA ALA 44 HA ALA 44 -4.910 -7.000 -1.308 264 HB1 ALA 44 1HB ALA 44 -6.828 -5.748 0.695 265 HB2 ALA 44 2HB ALA 44 -6.360 -7.458 0.585 266 HB3 ALA 44 3HB ALA 44 -5.169 -6.248 1.079 267 H ILE 45 H ILE 45 -6.309 -8.261 -2.564 268 HA ILE 45 HA ILE 45 -9.037 -7.514 -2.847 269 HB ILE 45 HB ILE 45 -9.292 -7.429 -5.211 270 HG13 ILE 45 2HG1 ILE 45 -7.418 -9.112 -5.732 271 HG21 ILE 45 1HG2 ILE 45 -8.278 -5.404 -5.912 272 HG22 ILE 45 2HG2 ILE 45 -8.572 -5.257 -4.203 273 HG23 ILE 45 3HG2 ILE 45 -6.915 -5.585 -4.797 274 HD11 ILE 45 3HD1 ILE 45 -7.475 -6.651 -7.461 275 HD12 ILE 45 1HD1 ILE 45 -7.034 -8.299 -7.950 276 HD13 ILE 45 2HD1 ILE 45 -8.702 -7.918 -7.457 277 H GLN 46 H GLN 46 -9.916 -9.461 -4.564 278 HA GLN 46 HA GLN 46 -9.538 -11.847 -3.083 279 HB3 GLN 46 2HB GLN 46 -11.032 -12.799 -4.901 280 HG3 GLN 46 2HG GLN 46 -12.022 -11.575 -2.989 281 HE21 GLN 46 1HE2 GLN 46 -11.989 -9.609 -1.960 282 HE22 GLN 46 2HE2 GLN 46 -12.153 -8.060 -2.727 283 H SER 47 H SER 47 -7.266 -10.889 -4.631 284 HA SER 47 HA SER 47 -6.487 -13.343 -6.215 285 HB3 SER 47 2HB SER 47 -5.468 -11.287 -7.764 286 HG SER 47 HG SER 47 -7.327 -11.806 -9.088 287 H SER 48 H SER 48 -4.744 -14.203 -5.310 288 HA SER 48 HA SER 48 -2.656 -12.456 -4.170 289 HB3 SER 48 2HB SER 48 -2.876 -13.863 -2.456 290 HG SER 48 HG SER 48 -4.876 -14.800 -3.274 291 H GLN 49 H GLN 49 -0.925 -12.045 -5.418 292 HA GLN 49 HA GLN 49 0.543 -14.302 -6.392 293 HB3 GLN 49 2HB GLN 49 0.996 -12.578 -8.527 294 HG3 GLN 49 2HG GLN 49 -0.852 -14.982 -8.311 295 HE21 GLN 49 1HE2 GLN 49 1.248 -13.387 -10.843 296 HE22 GLN 49 2HE2 GLN 49 0.201 -13.987 -12.121 297 H ALA 50 H ALA 50 2.771 -13.695 -6.709 298 HA ALA 50 HA ALA 50 3.710 -11.103 -5.724 299 HB1 ALA 50 1HB ALA 50 3.531 -12.695 -3.735 300 HB2 ALA 50 2HB ALA 50 4.681 -13.760 -4.567 301 HB3 ALA 50 3HB ALA 50 5.179 -12.132 -4.075 302 H SER 51 H SER 51 6.223 -11.182 -5.934 303 HA SER 51 HA SER 51 6.993 -12.486 -8.498 304 HB3 SER 51 2HB SER 51 7.987 -9.824 -7.438 305 HG SER 51 HG SER 51 7.539 -10.695 -10.108 306 H GLY 52 H GLY 52 7.763 -12.286 -5.122 307 HA2 GLY 52 1HA GLY 52 9.448 -13.632 -4.086 308 HA3 GLY 52 2HA GLY 52 10.388 -13.624 -5.588 309 H GLU 53 H GLU 53 9.833 -12.079 -2.600 310 HA GLU 53 HA GLU 53 10.201 -9.421 -2.960 311 HB3 GLU 53 2HB GLU 53 11.350 -9.730 -0.523 312 HG3 GLU 53 2HG GLU 53 8.961 -10.626 0.247 313 HA PRO 54 HA PRO 54 14.447 -8.278 -3.703 314 HB3 PRO 54 2HB PRO 54 13.530 -6.147 -3.682 315 HG3 PRO 54 2HG PRO 54 12.061 -5.400 -1.954 316 HD3 PRO 54 2HD PRO 54 11.074 -7.273 -2.967 317 H LYS 55 H LYS 55 15.143 -10.271 -2.558 318 HA LYS 55 HA LYS 55 16.329 -11.448 -1.042 319 HB3 LYS 55 2HB LYS 55 18.355 -10.440 -0.206 320 HG3 LYS 55 2HG LYS 55 17.710 -9.115 -2.880 321 HD3 LYS 55 2HD LYS 55 19.861 -8.423 -1.546 322 HE3 LYS 55 2HE LYS 55 21.820 -9.765 -2.238 323 HZ1 LYS 55 3HZ LYS 55 20.847 -10.286 -0.006 324 HZ2 LYS 55 1HZ LYS 55 21.690 -11.518 -0.690 325 HZ3 LYS 55 2HZ LYS 55 20.070 -11.560 -0.677 326 H SER 56 H SER 56 13.798 -10.612 -0.012 327 HA SER 56 HA SER 56 14.336 -9.899 2.815 328 HB3 SER 56 2HB SER 56 12.005 -9.642 3.093 329 HG SER 56 HG SER 56 11.500 -8.207 1.258 330 H SER 57 H SER 57 14.355 -12.634 0.950 331 HA SER 57 HA SER 57 14.137 -14.780 1.157 332 HB3 SER 57 2HB SER 57 14.077 -15.354 3.955 333 HG SER 57 HG SER 57 15.159 -16.580 2.561 334 H THR 58 H THR 58 12.030 -13.687 0.442 335 HA THR 58 HA THR 58 9.710 -13.773 0.285 336 HB THR 58 HB THR 58 9.107 -16.300 0.094 337 HG1 THR 58 1HG THR 58 11.912 -16.607 -0.019 338 HG21 THR 58 3HG2 THR 58 9.588 -14.900 -1.834 339 HG22 THR 58 1HG2 THR 58 10.351 -16.477 -2.013 340 HG23 THR 58 2HG2 THR 58 11.339 -15.065 -1.573 341 HA PRO 59 HA PRO 59 8.877 -14.512 4.811 342 HB3 PRO 59 2HB PRO 59 10.232 -12.763 5.489 343 HG3 PRO 59 2HG PRO 59 10.371 -10.727 4.281 344 HD3 PRO 59 2HD PRO 59 10.952 -12.369 2.742 345 H ALA 60 H ALA 60 6.958 -15.390 3.773 346 HA ALA 60 HA ALA 60 4.747 -15.766 3.929 347 HB1 ALA 60 1HB ALA 60 4.473 -14.277 5.916 348 HB2 ALA 60 2HB ALA 60 4.173 -12.917 4.805 349 HB3 ALA 60 3HB ALA 60 3.091 -14.310 4.814 350 H GLN 61 H GLN 61 3.950 -16.112 1.999 351 HA GLN 61 HA GLN 61 4.004 -14.170 -0.182 352 HB3 GLN 61 2HB GLN 61 4.037 -16.587 -0.565 353 HG3 GLN 61 2HG GLN 61 1.094 -16.892 -0.383 354 HE21 GLN 61 1HE2 GLN 61 3.603 -18.445 -1.492 355 HE22 GLN 61 2HE2 GLN 61 3.423 -19.991 -0.695 356 H LEU 62 H LEU 62 1.773 -13.271 -1.103 357 HA LEU 62 HA LEU 62 0.066 -12.445 1.077 358 HB3 LEU 62 2HB LEU 62 1.368 -10.694 1.392 359 HG LEU 62 HG LEU 62 3.306 -11.491 -0.084 360 HD11 LEU 62 1HD1 LEU 62 3.282 -10.638 -2.435 361 HD12 LEU 62 2HD1 LEU 62 1.658 -9.975 -2.158 362 HD13 LEU 62 3HD1 LEU 62 1.891 -11.714 -2.093 363 HD21 LEU 62 3HD2 LEU 62 2.686 -8.538 -0.359 364 HD22 LEU 62 1HD2 LEU 62 4.274 -9.308 -0.362 365 HD23 LEU 62 2HD2 LEU 62 3.303 -9.293 1.120 366 H ALA 63 H ALA 63 -1.644 -10.869 0.294 367 HA ALA 63 HA ALA 63 -2.485 -11.603 -2.412 368 HB1 ALA 63 1HB ALA 63 -4.302 -11.564 0.036 369 HB2 ALA 63 2HB ALA 63 -4.786 -11.959 -1.623 370 HB3 ALA 63 3HB ALA 63 -3.690 -13.026 -0.711 371 H PHE 64 H PHE 64 -1.582 -9.578 -3.065 372 HA PHE 64 HA PHE 64 -3.504 -7.386 -2.710 373 HB3 PHE 64 2HB PHE 64 -1.906 -5.757 -2.186 374 HD1 PHE 64 1HD PHE 64 -3.225 -6.732 -0.007 375 HD2 PHE 64 2HD PHE 64 0.838 -7.592 -1.059 376 HE1 PHE 64 1HE PHE 64 -2.771 -7.351 2.350 377 HE2 PHE 64 2HE PHE 64 1.307 -8.133 1.357 378 HZ PHE 64 HZ PHE 64 -0.440 -8.065 3.002 379 H MET 65 H MET 65 -3.917 -6.409 -4.594 380 HA MET 65 HA MET 65 -2.549 -7.216 -7.072 381 HB3 MET 65 2HB MET 65 -5.164 -5.928 -6.410 382 HG3 MET 65 2HG MET 65 -3.685 -5.470 -9.002 383 HE1 MET 65 3HE MET 65 -7.954 -3.893 -8.815 384 HE2 MET 65 1HE MET 65 -7.053 -4.298 -7.348 385 HE3 MET 65 2HE MET 65 -6.471 -3.002 -8.414 386 H ARG 66 H ARG 66 -1.555 -5.708 -8.395 387 HA ARG 66 HA ARG 66 -0.070 -3.613 -7.028 388 HB3 ARG 66 2HB ARG 66 0.997 -5.211 -8.624 389 HG3 ARG 66 2HG ARG 66 -0.058 -3.960 -11.100 390 HD3 ARG 66 2HD ARG 66 0.209 -6.880 -10.281 391 HE ARG 66 HE ARG 66 -1.166 -5.855 -12.443 392 HH11 ARG 66 1HH1 ARG 66 1.968 -7.549 -12.561 393 HH12 ARG 66 2HH1 ARG 66 1.479 -8.561 -13.883 394 HH21 ARG 66 1HH2 ARG 66 -1.741 -7.071 -14.113 395 HH22 ARG 66 2HH2 ARG 66 -0.760 -8.328 -14.789 396 H VAL 67 H VAL 67 -2.043 -2.390 -6.548 397 HA VAL 67 HA VAL 67 -3.613 -1.306 -8.534 398 HB VAL 67 HB VAL 67 -3.778 -1.497 -5.927 399 HG11 VAL 67 1HG1 VAL 67 -3.028 1.410 -6.031 400 HG12 VAL 67 2HG1 VAL 67 -3.608 0.487 -4.637 401 HG13 VAL 67 3HG1 VAL 67 -2.040 0.085 -5.363 402 HG21 VAL 67 3HG2 VAL 67 -5.608 -1.120 -7.388 403 HG22 VAL 67 1HG2 VAL 67 -5.760 -0.115 -5.936 404 HG23 VAL 67 2HG2 VAL 67 -5.249 0.621 -7.480 405 H TYR 68 H TYR 68 -0.498 0.012 -7.409 406 HA TYR 68 HA TYR 68 -0.779 2.689 -8.292 407 HB3 TYR 68 2HB TYR 68 1.655 0.883 -8.080 408 HD1 TYR 68 1HD TYR 68 1.269 4.476 -7.248 409 HD2 TYR 68 2HD TYR 68 3.085 1.636 -9.947 410 HE1 TYR 68 1HE TYR 68 2.809 6.234 -8.066 411 HE2 TYR 68 2HE TYR 68 4.614 3.393 -10.760 412 HH TYR 68 HH TYR 68 4.821 6.020 -10.765 413 H CYS 69 H CYS 69 -1.069 3.524 -10.293 414 HA CYS 69 HA CYS 69 0.323 2.415 -12.596 415 HB3 CYS 69 2HB CYS 69 -2.726 2.501 -12.607 416 HG CYS 69 HG CYS 69 -0.323 1.106 -14.410 417 H GLY 70 H GLY 70 0.660 4.973 -11.326 418 HA2 GLY 70 1HA GLY 70 -0.231 6.749 -13.454 419 HA3 GLY 70 2HA GLY 70 -0.937 7.090 -11.867 420 HA PRO 71 HA PRO 71 3.459 8.696 -12.633 421 HB3 PRO 71 2HB PRO 71 2.845 10.091 -14.402 422 HG3 PRO 71 2HG PRO 71 0.722 11.206 -14.410 423 HD3 PRO 71 2HD PRO 71 0.336 8.876 -14.230 424 H SER 72 H SER 72 1.042 9.996 -10.403 425 HA SER 72 HA SER 72 3.070 11.615 -8.973 426 HB3 SER 72 2HB SER 72 1.287 12.231 -7.479 427 HG SER 72 HG SER 72 0.118 13.298 -8.918 428 HA PRO 73 HA PRO 73 4.264 8.039 -6.667 429 HB3 PRO 73 2HB PRO 73 6.230 9.139 -6.168 430 HG3 PRO 73 2HG PRO 73 6.248 11.439 -5.645 431 HD3 PRO 73 2HD PRO 73 4.980 11.444 -7.609 432 H SER 74 H SER 74 2.696 10.628 -4.722 433 HA SER 74 HA SER 74 1.162 8.723 -3.092 434 HB3 SER 74 2HB SER 74 -0.001 10.718 -2.320 435 HG SER 74 HG SER 74 1.782 11.919 -1.538 436 H CYS 75 H CYS 75 0.444 7.424 -4.993 437 HA CYS 75 HA CYS 75 -1.279 8.663 -6.991 438 HB3 CYS 75 2HB CYS 75 -0.003 6.613 -7.492 439 HG CYS 75 HG CYS 75 -1.702 4.337 -6.494 440 H LEU 76 H LEU 76 -3.617 7.686 -7.193 441 HA LEU 76 HA LEU 76 -4.855 7.107 -4.575 442 HB3 LEU 76 2HB LEU 76 -5.386 9.458 -4.973 443 HG LEU 76 HG LEU 76 -6.184 8.491 -7.676 444 HD11 LEU 76 1HD1 LEU 76 -8.222 9.838 -7.868 445 HD12 LEU 76 2HD1 LEU 76 -8.167 10.214 -6.133 446 HD13 LEU 76 3HD1 LEU 76 -8.442 8.547 -6.684 447 HD21 LEU 76 3HD2 LEU 76 -5.985 10.875 -8.203 448 HD22 LEU 76 1HD2 LEU 76 -4.574 10.305 -7.260 449 HD23 LEU 76 2HD2 LEU 76 -5.849 11.272 -6.484 450 H VAL 77 H VAL 77 -7.323 6.402 -5.173 451 HA VAL 77 HA VAL 77 -7.182 4.340 -7.286 452 HB VAL 77 HB VAL 77 -7.760 3.921 -4.320 453 HG11 VAL 77 1HG1 VAL 77 -9.160 2.412 -5.667 454 HG12 VAL 77 2HG1 VAL 77 -7.730 1.899 -6.603 455 HG13 VAL 77 3HG1 VAL 77 -7.894 1.490 -4.881 456 HG21 VAL 77 3HG2 VAL 77 -5.431 2.872 -5.998 457 HG22 VAL 77 1HG2 VAL 77 -5.332 4.057 -4.679 458 HG23 VAL 77 2HG2 VAL 77 -5.776 2.401 -4.327 459 H GLN 78 H GLN 78 -9.251 3.704 -7.978 460 HA GLN 78 HA GLN 78 -11.348 5.588 -7.697 461 HB3 GLN 78 2HB GLN 78 -11.351 5.248 -9.867 462 HG3 GLN 78 2HG GLN 78 -10.215 2.486 -9.390 463 HE21 GLN 78 1HE2 GLN 78 -9.273 1.477 -11.362 464 HE22 GLN 78 2HE2 GLN 78 -9.860 1.954 -12.925 465 H SER 79 H SER 79 -13.609 4.850 -7.568 466 HA SER 79 HA SER 79 -14.551 3.014 -5.713 467 HB3 SER 79 2HB SER 79 -15.747 3.788 -8.403 468 HG SER 79 HG SER 79 -17.182 2.375 -7.803 469 H SER 80 H SER 80 -13.766 2.289 -9.224 470 HA SER 80 HA SER 80 -14.848 -0.237 -9.271 471 HB3 SER 80 2HB SER 80 -13.422 -0.590 -11.237 472 HG SER 80 HG SER 80 -15.039 0.990 -11.381 473 H SER 81 H SER 81 -11.407 0.524 -8.516 474 HA SER 81 HA SER 81 -10.718 -2.178 -7.869 475 HB3 SER 81 2HB SER 81 -8.599 -1.230 -7.334 476 HG SER 81 HG SER 81 -8.957 -0.865 -9.535 477 H LEU 82 H LEU 82 -11.983 0.600 -5.981 478 HA LEU 82 HA LEU 82 -11.429 -0.413 -3.372 479 HB3 LEU 82 2HB LEU 82 -13.686 1.045 -2.959 480 HG LEU 82 HG LEU 82 -10.973 2.228 -3.681 481 HD11 LEU 82 1HD1 LEU 82 -12.760 3.898 -3.963 482 HD12 LEU 82 2HD1 LEU 82 -11.765 4.266 -2.545 483 HD13 LEU 82 3HD1 LEU 82 -13.376 3.534 -2.340 484 HD21 LEU 82 3HD2 LEU 82 -12.328 1.387 -1.074 485 HD22 LEU 82 1HD2 LEU 82 -10.999 2.531 -1.111 486 HD23 LEU 82 2HD2 LEU 82 -10.736 0.878 -1.685 487 H SER 83 H SER 83 -14.306 -0.861 -5.525 488 HA SER 83 HA SER 83 -15.743 -2.459 -3.645 489 HB3 SER 83 2HB SER 83 -17.153 -2.984 -5.589 490 HG SER 83 HG SER 83 -17.615 -0.816 -6.105 491 H ASN 84 H ASN 84 -12.822 -3.284 -4.919 492 HA ASN 84 HA ASN 84 -13.399 -6.196 -4.573 493 HB3 ASN 84 2HB ASN 84 -11.247 -6.547 -5.842 494 HD21 ASN 84 1HD2 ASN 84 -13.172 -4.183 -7.577 495 HD22 ASN 84 2HD2 ASN 84 -14.183 -5.393 -8.388 496 H ALA 85 H ALA 85 -12.249 -3.479 -2.995 497 HA ALA 85 HA ALA 85 -9.630 -4.408 -2.329 498 HB1 ALA 85 1HB ALA 85 -9.691 -2.548 -0.647 499 HB2 ALA 85 2HB ALA 85 -10.109 -2.007 -2.290 500 HB3 ALA 85 3HB ALA 85 -11.381 -2.250 -1.054 501 H HIS 86 H HIS 86 -9.181 -5.958 -0.858 502 HA HIS 86 HA HIS 86 -11.316 -7.326 0.504 503 HB3 HIS 86 2HB HIS 86 -8.457 -7.791 1.315 504 HD1 HIS 86 1HD HIS 86 -10.573 -9.079 3.105 505 HD2 HIS 86 2HD HIS 86 -9.600 -10.540 -0.754 506 HE1 HIS 86 1HE HIS 86 -11.610 -11.373 2.899 507 H ILE 87 H ILE 87 -11.936 -7.306 2.631 508 HA ILE 87 HA ILE 87 -10.900 -5.101 4.316 509 HB ILE 87 HB ILE 87 -13.277 -6.947 4.747 510 HG13 ILE 87 2HG1 ILE 87 -14.780 -5.192 3.889 511 HG21 ILE 87 1HG2 ILE 87 -14.131 -5.042 6.154 512 HG22 ILE 87 2HG2 ILE 87 -12.637 -5.784 6.746 513 HG23 ILE 87 3HG2 ILE 87 -12.572 -4.224 5.901 514 HD11 ILE 87 3HD1 ILE 87 -12.287 -3.861 2.750 515 HD12 ILE 87 1HD1 ILE 87 -13.965 -3.450 2.367 516 HD13 ILE 87 2HD1 ILE 87 -13.345 -3.155 3.999 517 H ASP 88 H ASP 88 -9.862 -5.354 6.197 518 HA ASP 88 HA ASP 88 -8.697 -7.882 6.842 519 HB3 ASP 88 2HB ASP 88 -8.788 -5.278 8.416 520 H TYR 89 H TYR 89 -9.376 -9.397 8.241 521 HA TYR 89 HA TYR 89 -11.681 -8.840 10.019 522 HB3 TYR 89 2HB TYR 89 -12.147 -11.428 9.379 523 HD1 TYR 89 1HD TYR 89 -12.594 -8.574 6.941 524 HD2 TYR 89 2HD TYR 89 -14.446 -11.032 9.968 525 HE1 TYR 89 1HE TYR 89 -14.700 -7.293 6.690 526 HE2 TYR 89 2HE TYR 89 -16.563 -9.810 9.656 527 HH TYR 89 HH TYR 89 -16.862 -6.952 7.500 528 H THR 90 H THR 90 -8.442 -9.543 10.027 529 HA THR 90 HA THR 90 -8.477 -11.534 12.118 530 HB THR 90 HB THR 90 -6.451 -9.309 11.556 531 HG1 THR 90 1HG THR 90 -5.642 -10.345 10.027 532 HG21 THR 90 3HG2 THR 90 -6.000 -10.476 13.684 533 HG22 THR 90 1HG2 THR 90 -4.747 -10.812 12.484 534 HG23 THR 90 2HG2 THR 90 -5.990 -12.031 12.828 535 H THR 91 H THR 91 -8.948 -8.033 11.827 536 HA THR 91 HA THR 91 -9.138 -7.817 14.789 537 HB THR 91 HB THR 91 -7.799 -5.515 13.683 538 HG1 THR 91 1HG THR 91 -7.039 -6.896 12.041 539 HG21 THR 91 3HG2 THR 91 -7.784 -6.399 16.032 540 HG22 THR 91 1HG2 THR 91 -6.202 -6.016 15.361 541 HG23 THR 91 2HG2 THR 91 -6.736 -7.719 15.479 542 H LYS 92 H LYS 92 -9.429 -5.650 11.846 543 HA LYS 92 HA LYS 92 -12.014 -4.760 12.907 544 HB3 LYS 92 2HB LYS 92 -11.088 -2.342 12.358 545 HG3 LYS 92 2HG LYS 92 -9.790 -2.818 14.869 546 HD3 LYS 92 2HD LYS 92 -11.970 -1.795 15.758 547 HE3 LYS 92 2HE LYS 92 -10.050 -0.605 13.890 548 HZ1 LYS 92 3HZ LYS 92 -11.371 1.467 13.679 549 HZ2 LYS 92 1HZ LYS 92 -12.691 0.716 14.224 550 HZ3 LYS 92 2HZ LYS 92 -12.046 0.240 12.805 551 HA PRO 93 HA PRO 93 -12.700 -4.784 8.626 552 HB3 PRO 93 2HB PRO 93 -14.931 -4.984 9.225 553 HG3 PRO 93 2HG PRO 93 -15.886 -3.562 10.910 554 HD3 PRO 93 2HD PRO 93 -14.097 -4.712 11.925 555 H ALA 94 H ALA 94 -10.964 -3.759 7.842 556 HA ALA 94 HA ALA 94 -10.998 -0.883 7.161 557 HB1 ALA 94 1HB ALA 94 -9.833 -1.129 9.326 558 HB2 ALA 94 2HB ALA 94 -8.869 -2.482 8.709 559 HB3 ALA 94 3HB ALA 94 -8.609 -0.857 8.062 560 H ILE 95 H ILE 95 -9.254 -0.515 5.506 561 HA ILE 95 HA ILE 95 -8.984 -2.912 3.737 562 HB ILE 95 HB ILE 95 -9.169 0.083 3.257 563 HG13 ILE 95 2HG1 ILE 95 -11.262 -1.345 3.578 564 HG21 ILE 95 1HG2 ILE 95 -7.397 -0.728 1.769 565 HG22 ILE 95 2HG2 ILE 95 -8.434 -2.079 1.259 566 HG23 ILE 95 3HG2 ILE 95 -8.851 -0.389 0.849 567 HD11 ILE 95 3HD1 ILE 95 -11.083 -0.327 0.718 568 HD12 ILE 95 1HD1 ILE 95 -12.529 -0.564 1.709 569 HD13 ILE 95 2HD1 ILE 95 -11.374 0.707 2.135 570 H ILE 96 H ILE 96 -6.947 -3.642 3.152 571 HA ILE 96 HA ILE 96 -4.668 -2.370 4.527 572 HB ILE 96 HB ILE 96 -4.914 -5.139 3.305 573 HG13 ILE 96 2HG1 ILE 96 -5.026 -6.016 5.589 574 HG21 ILE 96 1HG2 ILE 96 -2.686 -3.883 4.945 575 HG22 ILE 96 2HG2 ILE 96 -2.826 -5.621 4.599 576 HG23 ILE 96 3HG2 ILE 96 -2.601 -4.484 3.277 577 HD11 ILE 96 3HD1 ILE 96 -5.313 -3.137 6.495 578 HD12 ILE 96 1HD1 ILE 96 -5.531 -4.565 7.511 579 HD13 ILE 96 2HD1 ILE 96 -3.920 -4.181 6.878 580 H PHE 97 H PHE 97 -3.139 -1.392 3.584 581 HA PHE 97 HA PHE 97 -2.755 -1.578 0.623 582 HB3 PHE 97 2HB PHE 97 -1.591 0.610 0.862 583 HD1 PHE 97 2HD PHE 97 -4.500 1.062 3.114 584 HD2 PHE 97 1HD PHE 97 -3.087 0.950 -0.968 585 HE1 PHE 97 2HE PHE 97 -6.697 1.952 2.306 586 HE2 PHE 97 1HE PHE 97 -5.261 1.875 -1.747 587 HZ PHE 97 HZ PHE 97 -7.018 2.378 -0.126 588 H ARG 98 H ARG 98 -0.583 -1.508 -0.030 589 HA ARG 98 HA ARG 98 1.594 -1.825 1.970 590 HB3 ARG 98 2HB ARG 98 2.666 -3.041 -0.161 591 HG3 ARG 98 2HG ARG 98 0.680 -4.901 1.107 592 HD3 ARG 98 2HD ARG 98 2.597 -6.378 1.175 593 HE ARG 98 HE ARG 98 1.928 -5.307 -1.256 594 HH11 ARG 98 1HH1 ARG 98 5.024 -6.471 0.109 595 HH12 ARG 98 2HH1 ARG 98 5.641 -7.013 -1.408 596 HH21 ARG 98 1HH2 ARG 98 2.973 -5.676 -3.329 597 HH22 ARG 98 2HH2 ARG 98 4.527 -6.415 -3.370 598 H ILE 99 H ILE 99 2.902 -0.029 1.644 599 HA ILE 99 HA ILE 99 3.073 1.100 -1.143 600 HB ILE 99 HB ILE 99 3.470 2.548 1.485 601 HG13 ILE 99 2HG1 ILE 99 0.944 1.922 0.648 602 HG21 ILE 99 1HG2 ILE 99 4.783 3.499 -0.453 603 HG22 ILE 99 2HG2 ILE 99 3.277 3.701 -1.344 604 HG23 ILE 99 3HG2 ILE 99 3.564 4.603 0.154 605 HD11 ILE 99 3HD1 ILE 99 1.880 4.538 1.854 606 HD12 ILE 99 1HD1 ILE 99 0.204 3.948 1.848 607 HD13 ILE 99 2HD1 ILE 99 1.455 3.047 2.728 608 H ALA 100 H ALA 100 5.254 1.351 -1.922 609 HA ALA 100 HA ALA 100 7.418 1.204 0.041 610 HB1 ALA 100 1HB ALA 100 7.195 -1.188 -0.572 611 HB2 ALA 100 2HB ALA 100 7.092 -0.763 -2.306 612 HB3 ALA 100 3HB ALA 100 8.591 -0.524 -1.432 613 H ALA 101 H ALA 101 9.367 1.983 -0.746 614 HA ALA 101 HA ALA 101 9.439 3.742 -3.102 615 HB1 ALA 101 1HB ALA 101 11.783 3.910 -2.446 616 HB2 ALA 101 2HB ALA 101 10.665 4.504 -1.222 617 HB3 ALA 101 3HB ALA 101 11.468 2.916 -1.007 618 H ARG 102 H ARG 102 10.199 3.056 -5.037 619 HA ARG 102 HA ARG 102 11.511 0.415 -5.359 620 HB3 ARG 102 2HB ARG 102 10.989 2.640 -7.371 621 HG3 ARG 102 2HG ARG 102 12.894 1.107 -7.958 622 HD3 ARG 102 2HD ARG 102 10.688 -0.975 -7.751 623 HE ARG 102 HE ARG 102 11.482 -1.811 -9.679 624 HH11 ARG 102 1HH1 ARG 102 14.432 -0.747 -7.869 625 HH12 ARG 102 2HH1 ARG 102 15.458 -1.326 -9.140 626 HH21 ARG 102 1HH2 ARG 102 12.875 -2.475 -11.218 627 HH22 ARG 102 2HH2 ARG 102 14.602 -2.270 -11.082 628 H ASN 103 H ASN 103 13.605 0.506 -4.518 629 HA ASN 103 HA ASN 103 15.251 2.860 -5.279 630 HB3 ASN 103 2HB ASN 103 14.837 2.819 -2.833 631 HD21 ASN 103 1HD2 ASN 103 14.021 1.216 -1.366 632 HD22 ASN 103 2HD2 ASN 103 15.040 -0.115 -0.859 633 H GLU 104 H GLU 104 17.614 2.261 -5.176 634 HA GLU 104 HA GLU 104 18.071 0.474 -7.254 635 HB3 GLU 104 2HB GLU 104 20.579 0.648 -6.155 636 HG3 GLU 104 2HG GLU 104 19.099 2.871 -7.589 637 H LYS 105 H LYS 105 18.438 -0.239 -3.717 638 HA LYS 105 HA LYS 105 19.764 -2.768 -4.163 639 HB3 LYS 105 2HB LYS 105 18.509 -3.005 -1.720 640 HG3 LYS 105 2HG LYS 105 21.019 -3.000 -2.119 641 HD3 LYS 105 2HD LYS 105 20.495 -0.031 -2.087 642 HE3 LYS 105 2HE LYS 105 22.630 -1.403 -0.399 643 HZ1 LYS 105 3HZ LYS 105 23.718 0.361 -1.435 644 HZ2 LYS 105 1HZ LYS 105 23.285 0.888 0.080 645 HZ3 LYS 105 2HZ LYS 105 22.463 1.417 -1.249 646 H GLY 106 H GLY 106 16.401 -1.669 -4.242 647 HA2 GLY 106 1HA GLY 106 15.185 -3.512 -5.668 648 HA3 GLY 106 2HA GLY 106 15.330 -4.387 -4.123 649 H TYR 107 H TYR 107 12.929 -4.186 -4.466 650 HA TYR 107 HA TYR 107 11.562 -1.789 -4.199 651 HB3 TYR 107 2HB TYR 107 9.929 -3.938 -3.197 652 HD1 TYR 107 2HD TYR 107 9.488 -1.225 -4.232 653 HD2 TYR 107 1HD TYR 107 9.766 -4.994 -6.326 654 HE1 TYR 107 2HE TYR 107 8.176 -0.262 -6.132 655 HE2 TYR 107 1HE TYR 107 8.384 -4.097 -8.161 656 HH TYR 107 HH TYR 107 7.881 -0.884 -8.710 657 H GLY 108 H GLY 108 13.451 -2.266 -1.955 658 HA2 GLY 108 1HA GLY 108 13.711 -2.297 0.377 659 HA3 GLY 108 2HA GLY 108 12.473 -1.042 0.248 660 HA PRO 109 HA PRO 109 10.193 -4.333 2.601 661 HB3 PRO 109 2HB PRO 109 11.210 -3.564 4.625 662 HG3 PRO 109 2HG PRO 109 11.624 -1.195 4.957 663 HD3 PRO 109 2HD PRO 109 12.949 -1.817 3.128 664 H ALA 110 H ALA 110 7.783 -3.769 3.348 665 HA ALA 110 HA ALA 110 6.665 -1.503 1.765 666 HB1 ALA 110 1HB ALA 110 5.482 -4.277 2.155 667 HB2 ALA 110 2HB ALA 110 4.707 -2.909 1.318 668 HB3 ALA 110 3HB ALA 110 6.177 -3.661 0.644 669 H THR 111 H THR 111 5.453 -0.137 3.054 670 HA THR 111 HA THR 111 4.894 -0.955 5.836 671 HB THR 111 HB THR 111 4.194 1.631 4.394 672 HG1 THR 111 1HG THR 111 5.930 2.427 5.616 673 HG21 THR 111 3HG2 THR 111 2.695 1.183 6.302 674 HG22 THR 111 1HG2 THR 111 3.845 2.462 6.739 675 HG23 THR 111 2HG2 THR 111 4.069 0.816 7.341 676 H GLN 112 H GLN 112 3.454 -2.449 6.005 677 HA GLN 112 HA GLN 112 0.935 -2.606 4.565 678 HB3 GLN 112 2HB GLN 112 1.933 -3.745 7.183 679 HG3 GLN 112 2HG GLN 112 -0.344 -4.973 5.616 680 HE21 GLN 112 1HE2 GLN 112 -1.254 -6.796 6.842 681 HE22 GLN 112 2HE2 GLN 112 -0.612 -7.176 8.444 682 H VAL 113 H VAL 113 -0.620 -0.875 4.915 683 HA VAL 113 HA VAL 113 -0.895 0.039 7.723 684 HB VAL 113 HB VAL 113 -1.943 2.022 6.762 685 HG11 VAL 113 1HG1 VAL 113 0.614 1.924 7.229 686 HG12 VAL 113 2HG1 VAL 113 0.770 1.770 5.452 687 HG13 VAL 113 3HG1 VAL 113 0.036 3.218 6.160 688 HG21 VAL 113 3HG2 VAL 113 -1.724 2.706 4.476 689 HG22 VAL 113 1HG2 VAL 113 -0.904 1.193 4.082 690 HG23 VAL 113 2HG2 VAL 113 -2.632 1.202 4.578 691 H ARG 114 H ARG 114 -3.148 0.374 8.357 692 HA ARG 114 HA ARG 114 -5.132 -0.867 6.571 693 HB3 ARG 114 2HB ARG 114 -4.555 -2.321 8.606 694 HG3 ARG 114 2HG ARG 114 -5.836 -1.865 10.635 695 HD3 ARG 114 2HD ARG 114 -3.699 0.230 10.125 696 HE ARG 114 HE ARG 114 -4.338 -0.828 12.774 697 HH11 ARG 114 1HH1 ARG 114 -4.812 1.935 10.575 698 HH12 ARG 114 2HH1 ARG 114 -4.833 3.129 11.835 699 HH21 ARG 114 1HH2 ARG 114 -4.424 0.822 14.474 700 HH22 ARG 114 2HH2 ARG 114 -4.167 2.480 14.005 701 H TRP 115 H TRP 115 -6.744 0.383 6.052 702 HA TRP 115 HA TRP 115 -7.010 3.054 7.272 703 HB3 TRP 115 2HB TRP 115 -8.493 1.705 5.001 704 HD1 TRP 115 HD TRP 115 -8.338 4.947 7.078 705 HE1 TRP 115 1HE TRP 115 -10.175 6.511 6.318 706 HE3 TRP 115 3HE TRP 115 -9.905 2.317 3.044 707 HZ2 TRP 115 2HZ TRP 115 -12.179 6.594 4.154 708 HZ3 TRP 115 3HZ TRP 115 -11.688 3.240 1.519 709 HH2 TRP 115 HH TRP 115 -12.801 5.337 2.100 710 H LEU 116 H LEU 116 -7.708 2.492 9.350 711 HA LEU 116 HA LEU 116 -10.146 0.928 9.815 712 HB3 LEU 116 2HB LEU 116 -10.062 1.872 12.039 713 HG LEU 116 HG LEU 116 -7.187 1.239 11.359 714 HD11 LEU 116 1HD1 LEU 116 -8.782 1.175 13.951 715 HD12 LEU 116 2HD1 LEU 116 -7.484 2.314 13.516 716 HD13 LEU 116 3HD1 LEU 116 -7.119 0.600 13.744 717 HD21 LEU 116 3HD2 LEU 116 -7.911 -1.071 12.372 718 HD22 LEU 116 1HD2 LEU 116 -8.274 -0.717 10.699 719 HD23 LEU 116 2HD2 LEU 116 -9.560 -0.571 11.893 720 H GLN 117 H GLN 117 -12.028 1.933 10.622 721 HA GLN 117 HA GLN 117 -13.643 3.384 10.956 722 HB3 GLN 117 2HB GLN 117 -12.134 5.786 9.949 723 HG3 GLN 117 2HG GLN 117 -14.194 5.163 12.092 724 HE21 GLN 117 1HE2 GLN 117 -12.866 5.621 14.005 725 HE22 GLN 117 2HE2 GLN 117 -12.456 7.285 14.336 726 H GLU 118 H GLU 118 -12.631 2.281 8.027 727 HA GLU 118 HA GLU 118 -14.410 3.496 6.262 728 HB3 GLU 118 2HB GLU 118 -14.310 0.632 5.932 729 HG3 GLU 118 2HG GLU 118 -12.619 1.223 4.246 730 H THR 119 H THR 119 -16.383 2.393 5.385 731 HA THR 119 HA THR 119 -17.902 0.915 7.215 732 HB THR 119 HB THR 119 -18.613 2.571 8.346 733 HG1 THR 119 1HG THR 119 -20.765 2.748 7.923 734 HG21 THR 119 3HG2 THR 119 -17.777 4.126 7.094 735 HG22 THR 119 1HG2 THR 119 -19.521 4.567 7.086 736 HG23 THR 119 2HG2 THR 119 -18.761 3.748 5.659 737 H SER 120 H SER 120 -19.457 -0.409 6.196 738 HA SER 120 HA SER 120 -19.446 -0.965 3.433 739 HB3 SER 120 2HB SER 120 -21.664 -1.353 5.477 740 HG SER 120 HG SER 120 -22.365 -2.352 3.710 741 H LYS 121 H LYS 121 -22.019 0.742 5.372 742 HA LYS 121 HA LYS 121 -23.484 2.376 4.826 743 HB3 LYS 121 2HB LYS 121 -21.964 4.182 3.261 744 HG3 LYS 121 2HG LYS 121 -21.233 5.064 5.555 745 HD3 LYS 121 2HD LYS 121 -24.188 4.684 4.944 746 HE3 LYS 121 2HE LYS 121 -23.369 7.136 6.328 747 HZ1 LYS 121 3HZ LYS 121 -25.194 4.941 7.054 748 HZ2 LYS 121 1HZ LYS 121 -25.589 6.394 6.355 749 HZ3 LYS 121 2HZ LYS 121 -25.036 6.350 7.911 750 H ASP 122 H ASP 122 -23.820 0.180 3.335 751 HA ASP 122 HA ASP 122 -24.069 0.406 0.566 752 HB3 ASP 122 2HB ASP 122 -25.390 -1.530 0.676 753 H SER 123 H SER 123 -25.221 2.084 -0.496 754 HA SER 123 HA SER 123 -28.036 2.180 -0.154 755 HB3 SER 123 2HB SER 123 -27.507 3.622 1.756 756 HG SER 123 HG SER 123 -26.366 5.532 0.072 757 H SER 124 H SER 124 -28.902 4.026 -1.713 758 HA SER 124 HA SER 124 -26.967 4.640 -3.886 759 HB3 SER 124 2HB SER 124 -29.837 3.691 -4.290 760 HG SER 124 HG SER 124 -29.162 5.253 -5.863 761 H GLY 125 H GLY 125 -30.430 5.369 -3.023 762 HA2 GLY 125 1HA GLY 125 -30.930 7.497 -1.907 763 HA3 GLY 125 2HA GLY 125 -29.678 8.250 -2.898 764 H THR 126 H THR 126 -31.183 9.700 -3.848 765 HA THR 126 HA THR 126 -32.886 8.659 -6.001 766 HB THR 126 HB THR 126 -34.655 10.330 -5.279 767 HG1 THR 126 1HG THR 126 -33.143 11.347 -3.872 768 HG21 THR 126 3HG2 THR 126 -35.770 8.977 -3.611 769 HG22 THR 126 1HG2 THR 126 -34.266 8.119 -3.219 770 HG23 THR 126 2HG2 THR 126 -35.018 7.914 -4.818 Start of MODEL 5 1 H1 GLY 1 H GLY 1 27.633 -4.716 11.186 2 HA2 GLY 1 1HA GLY 1 26.660 -2.462 11.640 3 HA3 GLY 1 2HA GLY 1 27.007 -2.101 9.938 4 H CYS 2 H CYS 2 25.167 -2.188 8.759 5 HA CYS 2 HA CYS 2 23.144 -2.681 7.979 6 HB3 CYS 2 2HB CYS 2 22.467 -5.033 7.774 7 HG CYS 2 HG CYS 2 24.673 -6.123 6.538 8 H LEU 3 H LEU 3 21.935 -1.433 9.283 9 HA LEU 3 HA LEU 3 21.039 -2.077 11.967 10 HB3 LEU 3 2HB LEU 3 19.148 -0.375 11.093 11 HG LEU 3 HG LEU 3 21.180 -0.001 12.743 12 HD11 LEU 3 1HD1 LEU 3 21.929 1.869 10.447 13 HD12 LEU 3 2HD1 LEU 3 22.837 0.381 10.836 14 HD13 LEU 3 3HD1 LEU 3 22.735 1.695 12.008 15 HD21 LEU 3 3HD2 LEU 3 19.084 1.282 12.730 16 HD22 LEU 3 1HD2 LEU 3 19.658 2.257 11.358 17 HD23 LEU 3 2HD2 LEU 3 20.475 2.336 12.930 18 HA PRO 4 HA PRO 4 17.444 -4.607 11.046 19 HB3 PRO 4 2HB PRO 4 17.008 -4.663 13.325 20 HG3 PRO 4 2HG PRO 4 17.222 -2.728 14.692 21 HD3 PRO 4 2HD PRO 4 19.297 -3.065 13.603 22 H GLY 5 H GLY 5 17.264 -3.723 8.892 23 HA2 GLY 5 1HA GLY 5 15.065 -3.227 7.689 24 HA3 GLY 5 2HA GLY 5 15.199 -1.626 8.443 25 H PHE 6 H PHE 6 15.213 -2.147 5.613 26 HA PHE 6 HA PHE 6 17.975 -1.482 4.793 27 HB3 PHE 6 2HB PHE 6 16.241 -1.347 2.591 28 HD1 PHE 6 2HD PHE 6 18.381 -3.734 4.587 29 HD2 PHE 6 1HD PHE 6 17.033 -2.462 0.675 30 HE1 PHE 6 2HE PHE 6 20.166 -5.056 3.533 31 HE2 PHE 6 1HE PHE 6 18.802 -3.850 -0.371 32 HZ PHE 6 HZ PHE 6 20.386 -5.101 1.044 33 HA PRO 7 HA PRO 7 16.803 2.791 4.821 34 HB3 PRO 7 2HB PRO 7 19.093 3.194 4.691 35 HG3 PRO 7 2HG PRO 7 20.472 1.966 3.158 36 HD3 PRO 7 2HD PRO 7 19.427 0.332 4.494 37 H GLY 8 H GLY 8 16.025 4.534 3.348 38 HA2 GLY 8 1HA GLY 8 14.835 5.256 1.446 39 HA3 GLY 8 2HA GLY 8 14.867 3.598 0.801 40 H ALA 9 H ALA 9 12.795 3.043 0.684 41 HA ALA 9 HA ALA 9 10.767 2.269 1.193 42 HB1 ALA 9 1HB ALA 9 10.995 3.021 4.107 43 HB2 ALA 9 2HB ALA 9 10.099 1.677 3.384 44 HB3 ALA 9 3HB ALA 9 11.872 1.629 3.485 45 HA PRO 10 HA PRO 10 8.325 6.091 1.359 46 HB3 PRO 10 2HB PRO 10 6.623 4.852 0.275 47 HG3 PRO 10 2HG PRO 10 6.060 2.618 1.045 48 HD3 PRO 10 2HD PRO 10 8.317 2.666 0.323 49 H CYS 11 H CYS 11 7.231 7.410 3.059 50 HA CYS 11 HA CYS 11 6.984 6.160 5.717 51 HB3 CYS 11 2HB CYS 11 8.002 8.184 6.781 52 HG CYS 11 HG CYS 11 9.753 6.465 4.587 53 H ALA 12 H ALA 12 6.000 7.783 7.147 54 HA ALA 12 HA ALA 12 4.138 8.881 7.837 55 HB1 ALA 12 1HB ALA 12 4.352 11.124 7.316 56 HB2 ALA 12 2HB ALA 12 5.965 10.507 6.908 57 HB3 ALA 12 3HB ALA 12 4.774 10.804 5.626 58 H ILE 13 H ILE 13 3.416 6.943 5.735 59 HA ILE 13 HA ILE 13 1.845 7.952 3.688 60 HB ILE 13 HB ILE 13 1.601 5.301 5.197 61 HG13 ILE 13 2HG1 ILE 13 3.566 6.421 3.233 62 HG21 ILE 13 1HG2 ILE 13 -0.379 5.698 3.747 63 HG22 ILE 13 2HG2 ILE 13 0.720 6.064 2.394 64 HG23 ILE 13 3HG2 ILE 13 0.649 4.436 3.074 65 HD11 ILE 13 3HD1 ILE 13 4.285 5.380 5.401 66 HD12 ILE 13 1HD1 ILE 13 3.594 3.832 4.832 67 HD13 ILE 13 2HD1 ILE 13 4.956 4.560 3.977 68 H LYS 14 H LYS 14 -0.310 8.544 3.492 69 HA LYS 14 HA LYS 14 -2.100 8.500 5.870 70 HB3 LYS 14 2HB LYS 14 -2.811 10.824 5.142 71 HG3 LYS 14 2HG LYS 14 -0.800 12.090 6.009 72 HD3 LYS 14 2HD LYS 14 -1.983 9.861 7.698 73 HE3 LYS 14 2HE LYS 14 -1.195 11.258 9.627 74 HZ1 LYS 14 3HZ LYS 14 0.986 10.291 7.878 75 HZ2 LYS 14 1HZ LYS 14 0.103 9.354 8.923 76 HZ3 LYS 14 2HZ LYS 14 1.071 10.521 9.511 77 H ILE 15 H ILE 15 -4.273 8.195 5.255 78 HA ILE 15 HA ILE 15 -4.916 8.225 2.414 79 HB ILE 15 HB ILE 15 -5.611 5.720 3.924 80 HG13 ILE 15 2HG1 ILE 15 -3.163 5.873 3.863 81 HG21 ILE 15 1HG2 ILE 15 -6.073 4.875 1.639 82 HG22 ILE 15 2HG2 ILE 15 -6.852 6.448 1.796 83 HG23 ILE 15 3HG2 ILE 15 -5.296 6.306 0.947 84 HD11 ILE 15 3HD1 ILE 15 -4.226 3.694 2.018 85 HD12 ILE 15 1HD1 ILE 15 -2.666 3.707 2.837 86 HD13 ILE 15 2HD1 ILE 15 -4.158 3.630 3.798 87 H SER 16 H SER 16 -6.556 9.374 2.332 88 HA SER 16 HA SER 16 -8.655 9.406 4.523 89 HB3 SER 16 2HB SER 16 -9.286 11.674 3.760 90 HG SER 16 HG SER 16 -7.198 12.671 4.406 91 H LYS 17 H LYS 17 -10.835 9.140 3.893 92 HA LYS 17 HA LYS 17 -11.293 8.037 1.204 93 HB3 LYS 17 2HB LYS 17 -13.349 8.627 3.338 94 HG3 LYS 17 2HG LYS 17 -13.173 6.528 1.151 95 HD3 LYS 17 2HD LYS 17 -15.238 6.694 3.394 96 HE3 LYS 17 2HE LYS 17 -15.168 5.438 0.716 97 HZ1 LYS 17 3HZ LYS 17 -15.943 3.345 1.291 98 HZ2 LYS 17 1HZ LYS 17 -16.145 3.691 2.881 99 HZ3 LYS 17 2HZ LYS 17 -14.648 3.523 2.267 100 H SER 18 H SER 18 -12.956 8.798 -0.166 101 HA SER 18 HA SER 18 -13.827 11.616 -0.003 102 HB3 SER 18 2HB SER 18 -13.072 11.818 -2.406 103 HG SER 18 HG SER 18 -11.759 12.556 -0.811 104 HA PRO 19 HA PRO 19 -17.563 9.819 -1.842 105 HB3 PRO 19 2HB PRO 19 -18.574 11.859 -1.877 106 HG3 PRO 19 2HG PRO 19 -17.295 13.852 -2.308 107 HD3 PRO 19 2HD PRO 19 -16.183 12.686 -0.582 108 H ASP 20 H ASP 20 -14.850 10.652 -3.808 109 HA ASP 20 HA ASP 20 -15.691 8.933 -6.064 110 HB3 ASP 20 2HB ASP 20 -15.354 11.302 -6.562 111 H GLY 21 H GLY 21 -13.867 8.568 -3.273 112 HA2 GLY 21 1HA GLY 21 -12.850 6.199 -3.700 113 HA3 GLY 21 2HA GLY 21 -11.682 7.130 -4.628 114 H ALA 22 H ALA 22 -9.831 7.291 -3.490 115 HA ALA 22 HA ALA 22 -9.918 8.027 -0.613 116 HB1 ALA 22 1HB ALA 22 -9.797 5.519 -0.859 117 HB2 ALA 22 2HB ALA 22 -8.314 5.700 -1.799 118 HB3 ALA 22 3HB ALA 22 -8.349 6.217 -0.098 119 H HIS 23 H HIS 23 -8.362 9.575 -0.283 120 HA HIS 23 HA HIS 23 -6.429 10.480 -2.297 121 HB3 HIS 23 2HB HIS 23 -5.667 11.828 -0.192 122 HD1 HIS 23 1HD HIS 23 -9.479 11.895 -1.200 123 HD2 HIS 23 2HD HIS 23 -5.931 14.198 -1.157 124 HE1 HIS 23 1HE HIS 23 -10.048 14.107 -2.254 125 H LEU 24 H LEU 24 -4.860 8.877 -2.664 126 HA LEU 24 HA LEU 24 -3.556 7.517 -0.383 127 HB3 LEU 24 2HB LEU 24 -2.113 6.733 -2.444 128 HG LEU 24 HG LEU 24 -3.658 4.933 -2.948 129 HD11 LEU 24 1HD1 LEU 24 -3.337 5.282 -0.004 130 HD12 LEU 24 2HD1 LEU 24 -2.094 4.709 -1.145 131 HD13 LEU 24 3HD1 LEU 24 -3.571 3.765 -0.891 132 HD21 LEU 24 3HD2 LEU 24 -5.756 6.116 -2.815 133 HD22 LEU 24 1HD2 LEU 24 -5.650 6.186 -1.081 134 HD23 LEU 24 2HD2 LEU 24 -5.777 4.604 -1.881 135 H THR 25 H THR 25 -1.957 8.710 0.638 136 HA THR 25 HA THR 25 -0.211 10.431 -1.056 137 HB THR 25 HB THR 25 -0.469 12.274 0.437 138 HG1 THR 25 1HG THR 25 -1.764 10.375 2.047 139 HG21 THR 25 3HG2 THR 25 -2.581 12.083 -0.901 140 HG22 THR 25 1HG2 THR 25 -2.780 12.805 0.727 141 HG23 THR 25 2HG2 THR 25 -3.281 11.146 0.462 142 H TRP 26 H TRP 26 1.796 10.977 0.056 143 HA TRP 26 HA TRP 26 2.610 9.317 2.336 144 HB3 TRP 26 2HB TRP 26 4.173 7.934 1.328 145 HD1 TRP 26 HD TRP 26 2.873 5.816 0.947 146 HE1 TRP 26 1HE TRP 26 1.282 4.837 -0.811 147 HE3 TRP 26 3HE TRP 26 2.677 9.769 -2.284 148 HZ2 TRP 26 2HZ TRP 26 -0.096 5.721 -3.103 149 HZ3 TRP 26 3HZ TRP 26 1.269 9.624 -4.324 150 HH2 TRP 26 HH TRP 26 -0.242 7.689 -4.661 151 H GLU 27 H GLU 27 5.201 9.610 2.559 152 HA GLU 27 HA GLU 27 6.043 12.201 1.376 153 HB3 GLU 27 2HB GLU 27 7.212 12.755 3.565 154 HG3 GLU 27 2HG GLU 27 4.177 12.555 3.759 155 HA PRO 28 HA PRO 28 9.684 9.749 0.591 156 HB3 PRO 28 2HB PRO 28 10.651 11.461 -0.615 157 HG3 PRO 28 2HG PRO 28 10.252 13.717 -0.035 158 HD3 PRO 28 2HD PRO 28 8.056 12.930 0.107 159 HA PRO 29 HA PRO 29 11.149 8.759 4.643 160 HB3 PRO 29 2HB PRO 29 12.087 6.832 3.810 161 HG3 PRO 29 2HG PRO 29 13.159 6.803 1.685 162 HD3 PRO 29 2HD PRO 29 11.123 7.852 1.169 163 H SER 30 H SER 30 13.016 9.155 6.270 164 HA SER 30 HA SER 30 14.531 11.586 5.710 165 HB3 SER 30 2HB SER 30 12.795 11.302 8.199 166 HG SER 30 HG SER 30 12.800 13.704 7.477 167 H VAL 31 H VAL 31 16.042 9.736 5.506 168 HA VAL 31 HA VAL 31 17.272 9.302 8.077 169 HB VAL 31 HB VAL 31 17.082 6.852 6.299 170 HG11 VAL 31 1HG1 VAL 31 17.929 5.691 8.279 171 HG12 VAL 31 2HG1 VAL 31 19.024 7.030 7.901 172 HG13 VAL 31 3HG1 VAL 31 17.875 7.192 9.228 173 HG21 VAL 31 3HG2 VAL 31 15.469 7.425 8.811 174 HG22 VAL 31 1HG2 VAL 31 14.795 7.260 7.165 175 HG23 VAL 31 2HG2 VAL 31 15.547 5.878 7.959 176 H THR 32 H THR 32 17.781 8.260 4.564 177 HA THR 32 HA THR 32 20.338 9.731 4.636 178 HB THR 32 HB THR 32 21.655 7.966 3.925 179 HG1 THR 32 1HG THR 32 20.839 6.667 2.549 180 HG21 THR 32 3HG2 THR 32 20.887 7.701 6.363 181 HG22 THR 32 1HG2 THR 32 21.585 6.287 5.580 182 HG23 THR 32 2HG2 THR 32 19.824 6.407 5.777 183 H SER 33 H SER 33 21.288 9.308 2.131 184 HA SER 33 HA SER 33 19.757 11.143 0.812 185 HB3 SER 33 2HB SER 33 21.528 9.846 -1.075 186 HG SER 33 HG SER 33 22.755 11.824 -0.366 187 H GLY 34 H GLY 34 19.349 7.673 0.418 188 HA2 GLY 34 1HA GLY 34 17.961 6.410 -0.855 189 HA3 GLY 34 2HA GLY 34 16.837 7.634 -0.419 190 H LYS 35 H LYS 35 18.528 6.233 -2.821 191 HA LYS 35 HA LYS 35 17.969 8.257 -4.941 192 HB3 LYS 35 2HB LYS 35 19.011 6.132 -6.323 193 HG3 LYS 35 2HG LYS 35 21.075 7.671 -4.875 194 HD3 LYS 35 2HD LYS 35 21.378 6.330 -6.973 195 HE3 LYS 35 2HE LYS 35 19.243 6.916 -8.125 196 HZ1 LYS 35 3HZ LYS 35 20.416 9.534 -8.803 197 HZ2 LYS 35 1HZ LYS 35 19.304 9.370 -7.605 198 HZ3 LYS 35 2HZ LYS 35 18.893 8.971 -9.105 199 H ILE 36 H ILE 36 15.605 7.997 -4.378 200 HA ILE 36 HA ILE 36 14.298 5.592 -5.396 201 HB ILE 36 HB ILE 36 13.231 8.264 -4.437 202 HG13 ILE 36 2HG1 ILE 36 13.028 5.355 -3.465 203 HG21 ILE 36 1HG2 ILE 36 11.686 7.601 -6.213 204 HG22 ILE 36 2HG2 ILE 36 11.614 5.938 -5.567 205 HG23 ILE 36 3HG2 ILE 36 10.946 7.290 -4.648 206 HD11 ILE 36 3HD1 ILE 36 14.187 7.878 -2.190 207 HD12 ILE 36 1HD1 ILE 36 13.738 6.447 -1.259 208 HD13 ILE 36 2HD1 ILE 36 15.016 6.317 -2.480 209 H ILE 37 H ILE 37 13.214 5.317 -7.277 210 HA ILE 37 HA ILE 37 13.491 7.213 -9.528 211 HB ILE 37 HB ILE 37 14.270 5.197 -10.870 212 HG13 ILE 37 2HG1 ILE 37 13.717 3.459 -9.153 213 HG21 ILE 37 1HG2 ILE 37 16.592 5.631 -10.440 214 HG22 ILE 37 2HG2 ILE 37 15.712 7.136 -10.138 215 HG23 ILE 37 3HG2 ILE 37 16.259 6.146 -8.770 216 HD11 ILE 37 3HD1 ILE 37 15.661 2.074 -9.355 217 HD12 ILE 37 1HD1 ILE 37 15.352 2.869 -10.920 218 HD13 ILE 37 2HD1 ILE 37 16.674 3.425 -9.856 219 H GLU 38 H GLU 38 11.640 4.802 -7.834 220 HA GLU 38 HA GLU 38 9.375 5.101 -9.613 221 HB3 GLU 38 2HB GLU 38 9.630 2.269 -9.310 222 HG3 GLU 38 2HG GLU 38 10.011 3.909 -11.830 223 H TYR 39 H TYR 39 7.599 3.477 -8.553 224 HA TYR 39 HA TYR 39 8.139 2.857 -5.745 225 HB3 TYR 39 2HB TYR 39 5.669 3.599 -5.310 226 HD1 TYR 39 2HD TYR 39 7.559 6.498 -6.699 227 HD2 TYR 39 1HD TYR 39 6.502 4.214 -3.192 228 HE1 TYR 39 2HE TYR 39 8.514 8.270 -5.272 229 HE2 TYR 39 1HE TYR 39 7.451 5.983 -1.755 230 HH TYR 39 HH TYR 39 8.229 8.159 -1.717 231 H SER 40 H SER 40 6.458 1.308 -4.993 232 HA SER 40 HA SER 40 4.771 0.199 -7.136 233 HB3 SER 40 2HB SER 40 5.201 -2.069 -6.346 234 HG SER 40 HG SER 40 6.446 -1.114 -8.069 235 H VAL 41 H VAL 41 2.791 -0.373 -6.432 236 HA VAL 41 HA VAL 41 2.053 -0.094 -3.602 237 HB VAL 41 HB VAL 41 0.606 1.255 -5.934 238 HG11 VAL 41 1HG1 VAL 41 -0.803 0.487 -3.954 239 HG12 VAL 41 2HG1 VAL 41 0.180 1.515 -2.910 240 HG13 VAL 41 3HG1 VAL 41 -0.815 2.243 -4.190 241 HG21 VAL 41 3HG2 VAL 41 2.303 2.539 -3.752 242 HG22 VAL 41 1HG2 VAL 41 2.603 2.593 -5.501 243 HG23 VAL 41 2HG2 VAL 41 1.200 3.425 -4.814 244 H TYR 42 H TYR 42 1.092 -1.990 -3.145 245 HA TYR 42 HA TYR 42 -0.313 -3.439 -5.328 246 HB3 TYR 42 2HB TYR 42 0.487 -5.444 -4.654 247 HD1 TYR 42 1HD TYR 42 1.508 -3.949 -6.781 248 HD2 TYR 42 2HD TYR 42 3.490 -5.167 -3.148 249 HE1 TYR 42 1HE TYR 42 3.681 -3.943 -7.972 250 HE2 TYR 42 2HE TYR 42 5.673 -5.122 -4.320 251 HH TYR 42 HH TYR 42 6.633 -5.212 -6.608 252 H LEU 43 H LEU 43 -2.346 -3.998 -4.920 253 HA LEU 43 HA LEU 43 -3.500 -3.550 -2.201 254 HB3 LEU 43 2HB LEU 43 -4.629 -3.078 -4.985 255 HG LEU 43 HG LEU 43 -6.412 -3.934 -3.477 256 HD11 LEU 43 1HD1 LEU 43 -7.170 -2.422 -1.643 257 HD12 LEU 43 2HD1 LEU 43 -5.704 -1.448 -1.850 258 HD13 LEU 43 3HD1 LEU 43 -5.586 -3.132 -1.314 259 HD21 LEU 43 3HD2 LEU 43 -8.024 -2.163 -3.916 260 HD22 LEU 43 1HD2 LEU 43 -6.937 -2.315 -5.296 261 HD23 LEU 43 2HD2 LEU 43 -6.724 -0.983 -4.140 262 H ALA 44 H ALA 44 -4.576 -5.436 -1.443 263 HA ALA 44 HA ALA 44 -4.433 -7.769 -3.213 264 HB1 ALA 44 1HB ALA 44 -3.777 -8.060 -0.819 265 HB2 ALA 44 2HB ALA 44 -5.424 -7.576 -0.334 266 HB3 ALA 44 3HB ALA 44 -5.180 -9.047 -1.274 267 H ILE 45 H ILE 45 -6.249 -8.974 -3.824 268 HA ILE 45 HA ILE 45 -8.907 -7.798 -3.593 269 HB ILE 45 HB ILE 45 -9.249 -7.720 -5.991 270 HG13 ILE 45 2HG1 ILE 45 -7.401 -9.494 -6.521 271 HG21 ILE 45 1HG2 ILE 45 -8.448 -5.655 -4.874 272 HG22 ILE 45 2HG2 ILE 45 -6.777 -6.053 -5.324 273 HG23 ILE 45 3HG2 ILE 45 -7.985 -5.719 -6.561 274 HD11 ILE 45 3HD1 ILE 45 -8.778 -8.439 -8.254 275 HD12 ILE 45 1HD1 ILE 45 -7.627 -7.091 -8.349 276 HD13 ILE 45 2HD1 ILE 45 -7.106 -8.722 -8.778 277 H GLN 46 H GLN 46 -10.368 -9.392 -5.044 278 HA GLN 46 HA GLN 46 -9.867 -12.115 -4.176 279 HB3 GLN 46 2HB GLN 46 -11.861 -12.636 -5.481 280 HG3 GLN 46 2HG GLN 46 -12.652 -10.046 -4.164 281 HE21 GLN 46 1HE2 GLN 46 -12.836 -13.608 -3.621 282 HE22 GLN 46 2HE2 GLN 46 -14.589 -13.707 -3.667 283 H SER 47 H SER 47 -7.659 -12.352 -5.217 284 HA SER 47 HA SER 47 -8.088 -14.106 -7.364 285 HB3 SER 47 2HB SER 47 -7.995 -12.072 -8.783 286 HG SER 47 HG SER 47 -6.127 -11.005 -9.076 287 H SER 48 H SER 48 -5.360 -14.274 -8.235 288 HA SER 48 HA SER 48 -3.741 -14.844 -5.808 289 HB3 SER 48 2HB SER 48 -3.204 -17.011 -6.861 290 HG SER 48 HG SER 48 -4.822 -16.617 -5.140 291 H GLN 49 H GLN 49 -3.863 -13.212 -8.479 292 HA GLN 49 HA GLN 49 -1.418 -13.831 -9.903 293 HB3 GLN 49 2HB GLN 49 -1.667 -11.583 -10.908 294 HG3 GLN 49 2HG GLN 49 -4.465 -12.703 -10.930 295 HE21 GLN 49 1HE2 GLN 49 -2.860 -13.665 -13.649 296 HE22 GLN 49 2HE2 GLN 49 -3.021 -12.258 -14.685 297 H ALA 50 H ALA 50 0.521 -12.674 -9.901 298 HA ALA 50 HA ALA 50 2.437 -12.036 -8.916 299 HB1 ALA 50 1HB ALA 50 2.440 -9.714 -8.322 300 HB2 ALA 50 2HB ALA 50 1.240 -9.949 -9.596 301 HB3 ALA 50 3HB ALA 50 0.712 -9.763 -7.903 302 H SER 51 H SER 51 1.074 -13.938 -7.228 303 HA SER 51 HA SER 51 1.385 -13.220 -4.454 304 HB3 SER 51 2HB SER 51 0.812 -15.782 -5.961 305 HG SER 51 HG SER 51 0.623 -16.837 -4.205 306 H GLY 52 H GLY 52 3.560 -12.390 -4.597 307 HA2 GLY 52 1HA GLY 52 5.434 -14.164 -3.426 308 HA3 GLY 52 2HA GLY 52 5.812 -14.089 -5.145 309 H GLU 53 H GLU 53 6.513 -12.651 -2.169 310 HA GLU 53 HA GLU 53 7.951 -10.481 -3.492 311 HB3 GLU 53 2HB GLU 53 5.883 -9.396 -2.840 312 HG3 GLU 53 2HG GLU 53 6.524 -10.296 0.003 313 HA PRO 54 HA PRO 54 11.103 -11.927 -0.891 314 HB3 PRO 54 2HB PRO 54 12.430 -10.362 -1.981 315 HG3 PRO 54 2HG PRO 54 11.727 -8.058 -2.184 316 HD3 PRO 54 2HD PRO 54 10.231 -9.589 -3.231 317 H LYS 55 H LYS 55 12.485 -10.984 1.253 318 HA LYS 55 HA LYS 55 12.562 -10.612 3.481 319 HB3 LYS 55 2HB LYS 55 9.841 -9.405 3.648 320 HG3 LYS 55 2HG LYS 55 12.465 -8.007 4.205 321 HD3 LYS 55 2HD LYS 55 9.854 -7.715 5.715 322 HE3 LYS 55 2HE LYS 55 10.424 -5.350 5.810 323 HZ1 LYS 55 3HZ LYS 55 12.481 -5.364 6.972 324 HZ2 LYS 55 1HZ LYS 55 12.891 -6.861 6.439 325 HZ3 LYS 55 2HZ LYS 55 11.591 -6.634 7.467 326 H SER 56 H SER 56 10.959 -12.983 2.218 327 HA SER 56 HA SER 56 9.395 -14.510 2.659 328 HB3 SER 56 2HB SER 56 9.658 -15.689 4.813 329 HG SER 56 HG SER 56 11.172 -16.090 3.278 330 H SER 57 H SER 57 8.215 -12.088 2.492 331 HA SER 57 HA SER 57 6.382 -11.862 4.826 332 HB3 SER 57 2HB SER 57 7.787 -9.974 4.618 333 HG SER 57 HG SER 57 8.119 -10.122 2.218 334 H THR 58 H THR 58 5.851 -13.789 2.930 335 HA THR 58 HA THR 58 3.536 -12.788 1.371 336 HB THR 58 HB THR 58 3.735 -15.111 0.308 337 HG1 THR 58 1HG THR 58 5.805 -16.024 0.452 338 HG21 THR 58 3HG2 THR 58 6.085 -13.179 0.021 339 HG22 THR 58 1HG2 THR 58 4.510 -13.014 -0.782 340 HG23 THR 58 2HG2 THR 58 5.556 -14.394 -1.162 341 HA PRO 59 HA PRO 59 1.506 -14.728 5.053 342 HB3 PRO 59 2HB PRO 59 0.901 -12.639 5.891 343 HG3 PRO 59 2HG PRO 59 0.532 -10.793 4.473 344 HD3 PRO 59 2HD PRO 59 2.679 -11.671 4.068 345 H ALA 60 H ALA 60 0.510 -16.565 4.495 346 HA ALA 60 HA ALA 60 -0.961 -18.053 3.615 347 HB1 ALA 60 1HB ALA 60 -3.221 -17.436 4.320 348 HB2 ALA 60 2HB ALA 60 -2.020 -16.885 5.500 349 HB3 ALA 60 3HB ALA 60 -2.745 -15.719 4.384 350 H GLN 61 H GLN 61 0.210 -17.009 1.404 351 HA GLN 61 HA GLN 61 0.102 -16.186 -0.639 352 HB3 GLN 61 2HB GLN 61 -0.322 -18.368 -1.206 353 HG3 GLN 61 2HG GLN 61 -3.309 -17.841 -0.879 354 HE21 GLN 61 1HE2 GLN 61 -1.490 -20.828 -0.500 355 HE22 GLN 61 2HE2 GLN 61 -2.403 -21.668 -1.735 356 H LEU 62 H LEU 62 -0.341 -14.147 0.273 357 HA LEU 62 HA LEU 62 -2.499 -12.561 -0.361 358 HB3 LEU 62 2HB LEU 62 -0.759 -11.364 0.596 359 HG LEU 62 HG LEU 62 1.196 -12.766 0.507 360 HD11 LEU 62 1HD1 LEU 62 0.975 -12.487 -2.492 361 HD12 LEU 62 2HD1 LEU 62 0.866 -13.976 -1.560 362 HD13 LEU 62 3HD1 LEU 62 2.427 -13.148 -1.677 363 HD21 LEU 62 3HD2 LEU 62 2.880 -11.141 -0.234 364 HD22 LEU 62 1HD2 LEU 62 1.525 -10.238 0.436 365 HD23 LEU 62 2HD2 LEU 62 1.716 -10.361 -1.313 366 H ALA 63 H ALA 63 -2.730 -11.172 -2.287 367 HA ALA 63 HA ALA 63 -1.710 -12.173 -4.822 368 HB1 ALA 63 1HB ALA 63 -4.700 -11.766 -4.258 369 HB2 ALA 63 2HB ALA 63 -3.959 -12.244 -5.799 370 HB3 ALA 63 3HB ALA 63 -3.922 -13.344 -4.382 371 H PHE 64 H PHE 64 -1.733 -10.332 -6.323 372 HA PHE 64 HA PHE 64 -2.852 -7.814 -5.243 373 HB3 PHE 64 2HB PHE 64 -0.714 -6.679 -5.788 374 HD1 PHE 64 2HD PHE 64 -2.192 -7.168 -3.178 375 HD2 PHE 64 1HD PHE 64 1.788 -8.252 -4.423 376 HE1 PHE 64 2HE PHE 64 -1.489 -7.252 -0.825 377 HE2 PHE 64 1HE PHE 64 2.507 -8.262 -2.067 378 HZ PHE 64 HZ PHE 64 0.857 -7.888 -0.254 379 H MET 65 H MET 65 -3.230 -6.282 -6.753 380 HA MET 65 HA MET 65 -3.218 -7.193 -9.589 381 HB3 MET 65 2HB MET 65 -5.326 -6.908 -8.248 382 HG3 MET 65 2HG MET 65 -4.627 -4.514 -7.443 383 HE1 MET 65 3HE MET 65 -7.385 -4.613 -10.217 384 HE2 MET 65 1HE MET 65 -7.853 -3.213 -9.213 385 HE3 MET 65 2HE MET 65 -7.301 -2.969 -10.878 386 H ARG 66 H ARG 66 -1.222 -5.408 -7.983 387 HA ARG 66 HA ARG 66 -0.049 -3.427 -8.153 388 HB3 ARG 66 2HB ARG 66 -0.257 -4.482 -11.003 389 HG3 ARG 66 2HG ARG 66 1.970 -2.768 -9.815 390 HD3 ARG 66 2HD ARG 66 1.715 -4.524 -12.305 391 HE ARG 66 HE ARG 66 2.803 -2.339 -12.786 392 HH11 ARG 66 1HH1 ARG 66 4.669 -5.180 -11.532 393 HH12 ARG 66 2HH1 ARG 66 6.159 -4.543 -12.125 394 HH21 ARG 66 1HH2 ARG 66 4.858 -1.684 -13.690 395 HH22 ARG 66 2HH2 ARG 66 6.268 -2.651 -13.367 396 H VAL 67 H VAL 67 -1.723 -2.039 -7.427 397 HA VAL 67 HA VAL 67 -3.341 -0.547 -9.319 398 HB VAL 67 HB VAL 67 -3.951 0.727 -7.247 399 HG11 VAL 67 1HG1 VAL 67 -4.142 -2.304 -7.062 400 HG12 VAL 67 2HG1 VAL 67 -5.106 -1.153 -6.129 401 HG13 VAL 67 3HG1 VAL 67 -5.279 -1.202 -7.867 402 HG21 VAL 67 3HG2 VAL 67 -1.801 0.452 -6.023 403 HG22 VAL 67 1HG2 VAL 67 -3.213 -0.001 -5.065 404 HG23 VAL 67 2HG2 VAL 67 -2.181 -1.266 -5.745 405 H TYR 68 H TYR 68 -0.087 -0.391 -8.593 406 HA TYR 68 HA TYR 68 0.450 2.328 -8.162 407 HB3 TYR 68 2HB TYR 68 1.991 -0.026 -9.193 408 HD1 TYR 68 1HD TYR 68 3.171 3.257 -7.873 409 HD2 TYR 68 2HD TYR 68 3.262 0.500 -11.198 410 HE1 TYR 68 1HE TYR 68 4.848 4.647 -8.979 411 HE2 TYR 68 2HE TYR 68 5.046 1.867 -12.264 412 HH TYR 68 HH TYR 68 6.075 5.030 -10.960 413 H CYS 69 H CYS 69 -0.132 3.943 -9.334 414 HA CYS 69 HA CYS 69 0.598 4.220 -12.096 415 HB3 CYS 69 2HB CYS 69 -1.534 3.006 -12.453 416 HG CYS 69 HG CYS 69 -3.924 3.903 -11.937 417 H GLY 70 H GLY 70 1.178 5.436 -9.539 418 HA2 GLY 70 1HA GLY 70 0.011 8.187 -9.815 419 HA3 GLY 70 2HA GLY 70 0.330 7.346 -8.302 420 HA PRO 71 HA PRO 71 4.628 8.831 -9.905 421 HB3 PRO 71 2HB PRO 71 4.799 8.686 -12.204 422 HG3 PRO 71 2HG PRO 71 2.896 9.162 -13.633 423 HD3 PRO 71 2HD PRO 71 2.200 7.454 -12.160 424 H SER 72 H SER 72 1.571 10.537 -9.917 425 HA SER 72 HA SER 72 2.331 13.156 -9.274 426 HB3 SER 72 2HB SER 72 0.039 13.307 -8.578 427 HG SER 72 HG SER 72 0.146 12.551 -10.781 428 HA PRO 73 HA PRO 73 4.280 12.410 -5.379 429 HB3 PRO 73 2HB PRO 73 5.044 14.587 -5.442 430 HG3 PRO 73 2HG PRO 73 3.654 16.373 -6.183 431 HD3 PRO 73 2HD PRO 73 3.556 14.762 -7.905 432 H SER 74 H SER 74 0.930 13.298 -5.465 433 HA SER 74 HA SER 74 0.272 11.303 -3.486 434 HB3 SER 74 2HB SER 74 -0.336 12.755 -1.898 435 HG SER 74 HG SER 74 0.891 14.411 -2.896 436 H CYS 75 H CYS 75 -1.815 10.330 -4.262 437 HA CYS 75 HA CYS 75 -2.987 11.680 -6.591 438 HB3 CYS 75 2HB CYS 75 -1.280 10.072 -7.535 439 HG CYS 75 HG CYS 75 -3.523 7.922 -6.419 440 H LEU 76 H LEU 76 -5.119 11.095 -6.989 441 HA LEU 76 HA LEU 76 -6.524 9.742 -4.799 442 HB3 LEU 76 2HB LEU 76 -8.359 9.919 -6.817 443 HG LEU 76 HG LEU 76 -8.942 12.208 -6.006 444 HD11 LEU 76 1HD1 LEU 76 -9.423 11.481 -3.623 445 HD12 LEU 76 2HD1 LEU 76 -8.411 10.088 -3.903 446 HD13 LEU 76 3HD1 LEU 76 -9.880 10.291 -4.848 447 HD21 LEU 76 3HD2 LEU 76 -6.661 11.953 -4.011 448 HD22 LEU 76 1HD2 LEU 76 -7.750 13.325 -4.279 449 HD23 LEU 76 2HD2 LEU 76 -6.531 12.907 -5.483 450 H VAL 77 H VAL 77 -7.907 7.915 -5.231 451 HA VAL 77 HA VAL 77 -7.115 6.033 -7.347 452 HB VAL 77 HB VAL 77 -7.150 5.545 -4.342 453 HG11 VAL 77 1HG1 VAL 77 -8.459 3.774 -5.433 454 HG12 VAL 77 2HG1 VAL 77 -7.065 3.389 -6.472 455 HG13 VAL 77 3HG1 VAL 77 -6.999 3.210 -4.675 456 HG21 VAL 77 3HG2 VAL 77 -5.040 5.009 -6.494 457 HG22 VAL 77 1HG2 VAL 77 -4.939 6.203 -5.185 458 HG23 VAL 77 2HG2 VAL 77 -4.914 4.474 -4.809 459 H GLN 78 H GLN 78 -8.968 5.312 -8.226 460 HA GLN 78 HA GLN 78 -11.511 6.347 -7.425 461 HB3 GLN 78 2HB GLN 78 -12.360 4.796 -9.194 462 HG3 GLN 78 2HG GLN 78 -9.899 6.440 -9.874 463 HE21 GLN 78 1HE2 GLN 78 -8.885 5.550 -11.675 464 HE22 GLN 78 2HE2 GLN 78 -9.725 4.975 -13.089 465 H SER 79 H SER 79 -13.146 5.410 -6.289 466 HA SER 79 HA SER 79 -12.712 3.535 -4.288 467 HB3 SER 79 2HB SER 79 -14.773 4.123 -3.685 468 HG SER 79 HG SER 79 -15.388 5.993 -4.316 469 H SER 80 H SER 80 -13.832 3.109 -7.638 470 HA SER 80 HA SER 80 -14.827 0.495 -7.488 471 HB3 SER 80 2HB SER 80 -15.126 1.974 -9.370 472 HG SER 80 HG SER 80 -13.562 2.960 -10.227 473 H SER 81 H SER 81 -11.520 1.461 -6.995 474 HA SER 81 HA SER 81 -10.512 -1.274 -7.487 475 HB3 SER 81 2HB SER 81 -9.056 1.167 -6.351 476 HG SER 81 HG SER 81 -7.444 -0.093 -7.775 477 H LEU 82 H LEU 82 -11.099 1.103 -4.715 478 HA LEU 82 HA LEU 82 -10.204 -0.672 -2.689 479 HB3 LEU 82 2HB LEU 82 -11.626 0.905 -1.251 480 HG LEU 82 HG LEU 82 -10.386 2.956 -1.753 481 HD11 LEU 82 1HD1 LEU 82 -8.464 0.576 -1.795 482 HD12 LEU 82 2HD1 LEU 82 -9.343 1.078 -0.342 483 HD13 LEU 82 3HD1 LEU 82 -8.180 2.182 -1.082 484 HD21 LEU 82 3HD2 LEU 82 -8.746 3.294 -3.172 485 HD22 LEU 82 1HD2 LEU 82 -10.212 2.906 -4.077 486 HD23 LEU 82 2HD2 LEU 82 -8.892 1.687 -3.940 487 H SER 83 H SER 83 -13.327 -0.213 -4.203 488 HA SER 83 HA SER 83 -15.138 -1.685 -2.705 489 HB3 SER 83 2HB SER 83 -14.625 -1.234 -5.655 490 HG SER 83 HG SER 83 -15.588 -3.055 -5.995 491 H ASN 84 H ASN 84 -12.971 -2.951 -5.228 492 HA ASN 84 HA ASN 84 -13.742 -5.666 -4.769 493 HB3 ASN 84 2HB ASN 84 -12.180 -6.105 -6.613 494 HD21 ASN 84 1HD2 ASN 84 -12.541 -5.631 -8.826 495 HD22 ASN 84 2HD2 ASN 84 -13.939 -4.723 -9.359 496 H ALA 85 H ALA 85 -11.701 -3.893 -2.865 497 HA ALA 85 HA ALA 85 -9.287 -5.415 -2.900 498 HB1 ALA 85 1HB ALA 85 -9.453 -3.043 -2.125 499 HB2 ALA 85 2HB ALA 85 -10.436 -3.603 -0.747 500 HB3 ALA 85 3HB ALA 85 -8.742 -4.113 -0.893 501 H HIS 86 H HIS 86 -8.513 -6.716 -1.278 502 HA HIS 86 HA HIS 86 -10.443 -8.383 0.244 503 HB3 HIS 86 2HB HIS 86 -7.688 -8.940 0.933 504 HD1 HIS 86 1HD HIS 86 -10.522 -10.482 1.528 505 HD2 HIS 86 2HD HIS 86 -7.680 -11.346 -1.499 506 HE1 HIS 86 1HE HIS 86 -10.924 -12.831 0.843 507 H ILE 87 H ILE 87 -10.850 -8.115 2.300 508 HA ILE 87 HA ILE 87 -9.658 -5.875 3.795 509 HB ILE 87 HB ILE 87 -11.780 -7.857 4.720 510 HG13 ILE 87 2HG1 ILE 87 -13.597 -6.405 4.043 511 HG21 ILE 87 1HG2 ILE 87 -11.038 -4.998 5.499 512 HG22 ILE 87 2HG2 ILE 87 -12.520 -5.788 6.079 513 HG23 ILE 87 3HG2 ILE 87 -10.941 -6.445 6.509 514 HD11 ILE 87 3HD1 ILE 87 -11.519 -4.763 2.543 515 HD12 ILE 87 1HD1 ILE 87 -13.280 -4.659 2.319 516 HD13 ILE 87 2HD1 ILE 87 -12.566 -4.209 3.872 517 H ASP 88 H ASP 88 -8.551 -6.124 5.637 518 HA ASP 88 HA ASP 88 -7.052 -8.549 6.037 519 HB3 ASP 88 2HB ASP 88 -7.328 -5.951 7.581 520 H TYR 89 H TYR 89 -7.540 -10.177 7.478 521 HA TYR 89 HA TYR 89 -9.803 -9.839 9.355 522 HB3 TYR 89 2HB TYR 89 -9.718 -12.534 8.645 523 HD1 TYR 89 2HD TYR 89 -11.366 -9.207 7.770 524 HD2 TYR 89 1HD TYR 89 -11.900 -13.460 8.190 525 HE1 TYR 89 2HE TYR 89 -13.762 -8.855 8.023 526 HE2 TYR 89 1HE TYR 89 -14.350 -13.129 8.274 527 HH TYR 89 HH TYR 89 -15.828 -9.850 8.345 528 H THR 90 H THR 90 -6.868 -9.434 9.601 529 HA THR 90 HA THR 90 -6.084 -11.686 11.295 530 HB THR 90 HB THR 90 -4.231 -9.778 9.909 531 HG1 THR 90 1HG THR 90 -4.317 -11.243 8.113 532 HG21 THR 90 3HG2 THR 90 -2.780 -11.744 9.753 533 HG22 THR 90 1HG2 THR 90 -4.061 -12.772 10.430 534 HG23 THR 90 2HG2 THR 90 -3.308 -11.513 11.429 535 H THR 91 H THR 91 -5.933 -8.071 11.036 536 HA THR 91 HA THR 91 -5.169 -7.930 13.908 537 HB THR 91 HB THR 91 -3.702 -5.994 13.132 538 HG1 THR 91 1HG THR 91 -3.807 -5.538 11.134 539 HG21 THR 91 3HG2 THR 91 -1.846 -7.395 12.470 540 HG22 THR 91 1HG2 THR 91 -2.925 -8.744 12.093 541 HG23 THR 91 2HG2 THR 91 -2.754 -8.181 13.772 542 H LYS 92 H LYS 92 -6.477 -5.824 11.203 543 HA LYS 92 HA LYS 92 -8.791 -5.506 12.817 544 HB3 LYS 92 2HB LYS 92 -8.750 -2.858 12.107 545 HG3 LYS 92 2HG LYS 92 -7.121 -3.320 14.500 546 HD3 LYS 92 2HD LYS 92 -9.276 -2.517 15.662 547 HE3 LYS 92 2HE LYS 92 -8.449 -0.634 13.437 548 HZ1 LYS 92 3HZ LYS 92 -9.547 -0.197 16.150 549 HZ2 LYS 92 1HZ LYS 92 -10.355 0.029 14.736 550 HZ3 LYS 92 2HZ LYS 92 -9.079 0.998 15.102 551 HA PRO 93 HA PRO 93 -10.570 -5.777 8.830 552 HB3 PRO 93 2HB PRO 93 -12.608 -6.168 9.828 553 HG3 PRO 93 2HG PRO 93 -13.233 -4.995 11.818 554 HD3 PRO 93 2HD PRO 93 -11.102 -5.951 12.244 555 H ALA 94 H ALA 94 -9.089 -4.555 7.738 556 HA ALA 94 HA ALA 94 -9.986 -1.934 6.710 557 HB1 ALA 94 1HB ALA 94 -7.414 -2.622 8.203 558 HB2 ALA 94 2HB ALA 94 -7.584 -1.202 7.171 559 HB3 ALA 94 3HB ALA 94 -8.644 -1.416 8.579 560 H ILE 95 H ILE 95 -8.565 -1.315 4.859 561 HA ILE 95 HA ILE 95 -7.942 -3.637 3.128 562 HB ILE 95 HB ILE 95 -8.250 -0.639 2.673 563 HG13 ILE 95 2HG1 ILE 95 -10.295 -2.075 2.886 564 HG21 ILE 95 1HG2 ILE 95 -6.372 -1.383 1.244 565 HG22 ILE 95 2HG2 ILE 95 -7.357 -2.736 0.647 566 HG23 ILE 95 3HG2 ILE 95 -7.783 -1.049 0.270 567 HD11 ILE 95 3HD1 ILE 95 -10.346 -0.221 1.172 568 HD12 ILE 95 1HD1 ILE 95 -9.941 -1.418 -0.071 569 HD13 ILE 95 2HD1 ILE 95 -11.435 -1.584 0.860 570 H ILE 96 H ILE 96 -5.958 -4.437 3.116 571 HA ILE 96 HA ILE 96 -3.616 -3.091 4.186 572 HB ILE 96 HB ILE 96 -3.986 -5.575 2.440 573 HG13 ILE 96 2HG1 ILE 96 -3.623 -6.916 4.408 574 HG21 ILE 96 1HG2 ILE 96 -1.747 -4.857 2.045 575 HG22 ILE 96 2HG2 ILE 96 -1.468 -4.546 3.785 576 HG23 ILE 96 3HG2 ILE 96 -1.664 -6.210 3.178 577 HD11 ILE 96 3HD1 ILE 96 -3.349 -4.306 5.969 578 HD12 ILE 96 1HD1 ILE 96 -3.654 -5.888 6.701 579 HD13 ILE 96 2HD1 ILE 96 -2.149 -5.605 5.818 580 H PHE 97 H PHE 97 -2.004 -2.079 3.070 581 HA PHE 97 HA PHE 97 -2.054 -2.116 0.109 582 HB3 PHE 97 2HB PHE 97 -0.935 0.304 0.494 583 HD1 PHE 97 1HD PHE 97 -4.494 0.271 1.543 584 HD2 PHE 97 2HD PHE 97 -1.786 0.448 -1.788 585 HE1 PHE 97 1HE PHE 97 -6.323 1.138 0.130 586 HE2 PHE 97 2HE PHE 97 -3.644 1.264 -3.238 587 HZ PHE 97 HZ PHE 97 -5.897 1.623 -2.285 588 H ARG 98 H ARG 98 -0.121 -2.918 -0.556 589 HA ARG 98 HA ARG 98 2.281 -2.999 1.212 590 HB3 ARG 98 2HB ARG 98 2.867 -3.874 -1.393 591 HG3 ARG 98 2HG ARG 98 2.927 -6.086 -0.491 592 HD3 ARG 98 2HD ARG 98 4.426 -3.924 0.500 593 HE ARG 98 HE ARG 98 3.985 -4.091 2.772 594 HH11 ARG 98 1HH1 ARG 98 4.252 -7.448 1.481 595 HH12 ARG 98 2HH1 ARG 98 4.420 -8.121 3.050 596 HH21 ARG 98 1HH2 ARG 98 4.902 -5.066 4.724 597 HH22 ARG 98 2HH2 ARG 98 4.729 -6.772 4.927 598 H ILE 99 H ILE 99 3.687 -1.158 1.010 599 HA ILE 99 HA ILE 99 3.811 0.032 -1.679 600 HB ILE 99 HB ILE 99 3.778 1.655 0.884 601 HG13 ILE 99 2HG1 ILE 99 1.428 0.786 -0.129 602 HG21 ILE 99 1HG2 ILE 99 3.876 2.532 -2.054 603 HG22 ILE 99 2HG2 ILE 99 3.849 3.627 -0.668 604 HG23 ILE 99 3HG2 ILE 99 5.242 2.589 -0.964 605 HD11 ILE 99 3HD1 ILE 99 1.503 2.239 1.755 606 HD12 ILE 99 1HD1 ILE 99 1.972 3.621 0.756 607 HD13 ILE 99 2HD1 ILE 99 0.360 2.898 0.567 608 H ALA 100 H ALA 100 5.908 0.278 -2.318 609 HA ALA 100 HA ALA 100 8.014 0.550 -0.313 610 HB1 ALA 100 1HB ALA 100 9.535 -1.030 -1.462 611 HB2 ALA 100 2HB ALA 100 8.123 -1.866 -0.811 612 HB3 ALA 100 3HB ALA 100 8.205 -1.511 -2.552 613 H ALA 101 H ALA 101 9.996 1.476 -1.373 614 HA ALA 101 HA ALA 101 9.168 3.380 -3.532 615 HB1 ALA 101 1HB ALA 101 10.583 5.007 -2.380 616 HB2 ALA 101 2HB ALA 101 9.275 4.434 -1.340 617 HB3 ALA 101 3HB ALA 101 10.914 3.823 -1.085 618 H ARG 102 H ARG 102 10.152 2.748 -5.360 619 HA ARG 102 HA ARG 102 12.170 0.710 -5.422 620 HB3 ARG 102 2HB ARG 102 11.698 2.246 -7.892 621 HG3 ARG 102 2HG ARG 102 10.609 0.001 -8.581 622 HD3 ARG 102 2HD ARG 102 12.874 -1.253 -8.596 623 HE ARG 102 HE ARG 102 11.937 0.751 -10.307 624 HH11 ARG 102 1HH1 ARG 102 15.123 -0.598 -9.425 625 HH12 ARG 102 2HH1 ARG 102 15.802 -0.293 -10.985 626 HH21 ARG 102 1HH2 ARG 102 12.815 1.087 -12.331 627 HH22 ARG 102 2HH2 ARG 102 14.496 0.722 -12.652 628 H ASN 103 H ASN 103 14.231 1.199 -4.878 629 HA ASN 103 HA ASN 103 15.562 3.541 -6.083 630 HB3 ASN 103 2HB ASN 103 14.996 4.024 -3.632 631 HD21 ASN 103 1HD2 ASN 103 14.500 1.506 -2.890 632 HD22 ASN 103 2HD2 ASN 103 15.571 1.072 -1.594 633 H GLU 104 H GLU 104 17.985 3.329 -5.560 634 HA GLU 104 HA GLU 104 19.125 1.294 -6.991 635 HB3 GLU 104 2HB GLU 104 21.245 1.942 -5.448 636 HG3 GLU 104 2HG GLU 104 20.479 4.376 -6.803 637 H LYS 105 H LYS 105 18.393 1.074 -3.499 638 HA LYS 105 HA LYS 105 19.922 -1.319 -3.044 639 HB3 LYS 105 2HB LYS 105 18.290 -1.748 -1.201 640 HG3 LYS 105 2HG LYS 105 18.667 0.171 0.202 641 HD3 LYS 105 2HD LYS 105 21.145 -0.101 -1.531 642 HE3 LYS 105 2HE LYS 105 20.773 0.318 1.459 643 HZ1 LYS 105 3HZ LYS 105 23.130 0.801 -0.242 644 HZ2 LYS 105 1HZ LYS 105 22.955 -0.522 0.748 645 HZ3 LYS 105 2HZ LYS 105 23.036 1.014 1.364 646 H GLY 106 H GLY 106 16.475 -0.930 -4.018 647 HA2 GLY 106 1HA GLY 106 15.414 -2.697 -5.368 648 HA3 GLY 106 2HA GLY 106 16.390 -3.891 -4.497 649 H TYR 107 H TYR 107 13.812 -4.416 -4.429 650 HA TYR 107 HA TYR 107 12.268 -3.094 -2.390 651 HB3 TYR 107 2HB TYR 107 10.703 -4.993 -2.697 652 HD1 TYR 107 2HD TYR 107 10.192 -2.396 -3.480 653 HD2 TYR 107 1HD TYR 107 11.550 -5.608 -6.011 654 HE1 TYR 107 2HE TYR 107 9.252 -1.212 -5.491 655 HE2 TYR 107 1HE TYR 107 10.593 -4.465 -7.982 656 HH TYR 107 HH TYR 107 8.445 -1.790 -7.743 657 H GLY 108 H GLY 108 13.787 -3.118 -0.680 658 HA2 GLY 108 1HA GLY 108 14.184 -5.689 0.714 659 HA3 GLY 108 2HA GLY 108 15.004 -4.158 1.104 660 HA PRO 109 HA PRO 109 11.625 -3.418 4.033 661 HB3 PRO 109 2HB PRO 109 12.695 -1.352 4.419 662 HG3 PRO 109 2HG PRO 109 13.318 0.065 2.617 663 HD3 PRO 109 2HD PRO 109 14.322 -1.842 1.770 664 H ALA 110 H ALA 110 9.235 -3.069 4.158 665 HA ALA 110 HA ALA 110 7.742 -2.361 1.811 666 HB1 ALA 110 1HB ALA 110 6.698 -4.488 1.403 667 HB2 ALA 110 2HB ALA 110 8.434 -4.664 1.163 668 HB3 ALA 110 3HB ALA 110 7.677 -5.297 2.649 669 H THR 111 H THR 111 6.427 -1.068 2.985 670 HA THR 111 HA THR 111 5.812 -1.611 5.752 671 HB THR 111 HB THR 111 4.658 0.468 3.844 672 HG1 THR 111 1HG THR 111 6.400 1.689 5.078 673 HG21 THR 111 3HG2 THR 111 4.985 0.602 6.867 674 HG22 THR 111 1HG2 THR 111 3.443 0.266 6.059 675 HG23 THR 111 2HG2 THR 111 4.243 1.817 5.813 676 H GLN 112 H GLN 112 3.785 -2.178 6.705 677 HA GLN 112 HA GLN 112 1.735 -3.233 4.838 678 HB3 GLN 112 2HB GLN 112 2.144 -4.210 7.680 679 HG3 GLN 112 2HG GLN 112 0.516 -5.200 5.285 680 HE21 GLN 112 1HE2 GLN 112 0.845 -7.482 5.235 681 HE22 GLN 112 2HE2 GLN 112 0.616 -8.454 6.662 682 H VAL 113 H VAL 113 0.775 -1.290 4.515 683 HA VAL 113 HA VAL 113 -0.138 0.350 6.777 684 HB VAL 113 HB VAL 113 -0.543 0.645 3.761 685 HG11 VAL 113 1HG1 VAL 113 -0.845 2.708 6.004 686 HG12 VAL 113 2HG1 VAL 113 -0.993 3.008 4.255 687 HG13 VAL 113 3HG1 VAL 113 -2.169 1.990 5.055 688 HG21 VAL 113 3HG2 VAL 113 1.262 2.420 3.984 689 HG22 VAL 113 1HG2 VAL 113 1.577 1.829 5.618 690 HG23 VAL 113 2HG2 VAL 113 1.845 0.780 4.198 691 H ARG 114 H ARG 114 -2.496 0.704 7.075 692 HA ARG 114 HA ARG 114 -4.283 -1.222 5.853 693 HB3 ARG 114 2HB ARG 114 -3.822 -2.397 7.856 694 HG3 ARG 114 2HG ARG 114 -4.456 -1.392 10.104 695 HD3 ARG 114 2HD ARG 114 -1.939 -0.169 9.009 696 HE ARG 114 HE ARG 114 -2.767 -1.117 11.651 697 HH11 ARG 114 1HH1 ARG 114 0.062 -0.582 9.581 698 HH12 ARG 114 2HH1 ARG 114 0.892 0.405 10.754 699 HH21 ARG 114 1HH2 ARG 114 -1.358 -0.427 13.377 700 HH22 ARG 114 2HH2 ARG 114 0.280 0.031 13.071 701 H TRP 115 H TRP 115 -6.381 -0.363 5.683 702 HA TRP 115 HA TRP 115 -6.795 2.451 6.549 703 HB3 TRP 115 2HB TRP 115 -7.452 1.223 3.828 704 HD1 TRP 115 HD TRP 115 -6.856 4.643 5.548 705 HE1 TRP 115 1HE TRP 115 -8.382 6.389 4.480 706 HE3 TRP 115 3HE TRP 115 -9.112 1.661 2.080 707 HZ2 TRP 115 2HZ TRP 115 -10.454 6.424 2.458 708 HZ3 TRP 115 3HZ TRP 115 -10.767 2.644 0.459 709 HH2 TRP 115 HH TRP 115 -11.506 4.971 0.716 710 H LEU 116 H LEU 116 -8.498 2.520 7.819 711 HA LEU 116 HA LEU 116 -10.212 0.248 8.112 712 HB3 LEU 116 2HB LEU 116 -10.681 1.304 10.189 713 HG LEU 116 HG LEU 116 -8.766 2.065 11.252 714 HD11 LEU 116 1HD1 LEU 116 -8.647 -0.379 10.490 715 HD12 LEU 116 2HD1 LEU 116 -7.161 0.377 11.078 716 HD13 LEU 116 3HD1 LEU 116 -7.416 0.190 9.339 717 HD21 LEU 116 3HD2 LEU 116 -6.824 2.937 10.575 718 HD22 LEU 116 1HD2 LEU 116 -8.031 3.769 9.606 719 HD23 LEU 116 2HD2 LEU 116 -7.011 2.473 8.891 720 H GLN 117 H GLN 117 -12.574 0.913 8.827 721 HA GLN 117 HA GLN 117 -14.523 1.952 8.742 722 HB3 GLN 117 2HB GLN 117 -13.656 4.053 6.755 723 HG3 GLN 117 2HG GLN 117 -15.355 4.038 9.263 724 HE21 GLN 117 1HE2 GLN 117 -16.147 6.627 7.270 725 HE22 GLN 117 2HE2 GLN 117 -15.242 7.877 8.070 726 H GLU 118 H GLU 118 -12.944 0.553 6.134 727 HA GLU 118 HA GLU 118 -14.929 0.835 4.095 728 HB3 GLU 118 2HB GLU 118 -13.679 -1.052 3.051 729 HG3 GLU 118 2HG GLU 118 -11.401 -0.053 3.068 730 H THR 119 H THR 119 -16.992 0.417 5.058 731 HA THR 119 HA THR 119 -17.659 -2.417 4.857 732 HB THR 119 HB THR 119 -19.317 -2.250 6.710 733 HG1 THR 119 1HG THR 119 -19.491 -0.228 7.280 734 HG21 THR 119 3HG2 THR 119 -17.054 -3.385 6.960 735 HG22 THR 119 1HG2 THR 119 -17.868 -2.892 8.448 736 HG23 THR 119 2HG2 THR 119 -16.550 -1.895 7.822 737 H SER 120 H SER 120 -18.441 -1.886 2.780 738 HA SER 120 HA SER 120 -20.745 -0.094 2.554 739 HB3 SER 120 2HB SER 120 -20.939 -1.054 0.307 740 HG SER 120 HG SER 120 -18.356 -0.901 0.065 741 H LYS 121 H LYS 121 -21.864 -0.910 4.514 742 HA LYS 121 HA LYS 121 -23.873 -2.739 3.505 743 HB3 LYS 121 2HB LYS 121 -22.777 -3.329 6.288 744 HG3 LYS 121 2HG LYS 121 -25.217 -3.946 5.231 745 HD3 LYS 121 2HD LYS 121 -23.486 -6.354 4.576 746 HE3 LYS 121 2HE LYS 121 -26.199 -5.963 3.399 747 HZ1 LYS 121 3HZ LYS 121 -26.378 -8.245 3.830 748 HZ2 LYS 121 1HZ LYS 121 -25.251 -8.238 5.014 749 HZ3 LYS 121 2HZ LYS 121 -24.769 -8.084 3.471 750 H ASP 122 H ASP 122 -24.480 -0.423 3.375 751 HA ASP 122 HA ASP 122 -25.817 1.303 3.978 752 HB3 ASP 122 2HB ASP 122 -26.776 -0.428 6.285 753 H SER 123 H SER 123 -26.342 2.795 6.023 754 HA SER 123 HA SER 123 -25.490 4.516 7.138 755 HB3 SER 123 2HB SER 123 -22.945 2.946 7.688 756 HG SER 123 HG SER 123 -23.918 4.868 9.408 757 H SER 124 H SER 124 -25.047 6.249 5.877 758 HA SER 124 HA SER 124 -22.387 6.432 4.970 759 HB3 SER 124 2HB SER 124 -23.266 5.633 2.847 760 HG SER 124 HG SER 124 -25.351 6.170 2.890 761 H GLY 125 H GLY 125 -21.855 8.781 4.653 762 HA2 GLY 125 1HA GLY 125 -23.259 10.307 6.601 763 HA3 GLY 125 2HA GLY 125 -21.894 10.851 5.618 764 H THR 126 H THR 126 -23.976 12.580 6.271 765 HA THR 126 HA THR 126 -25.608 13.134 3.965 766 HB THR 126 HB THR 126 -25.550 15.458 5.096 767 HG1 THR 126 1HG THR 126 -24.812 15.530 7.111 768 HG21 THR 126 3HG2 THR 126 -27.224 14.763 6.716 769 HG22 THR 126 1HG2 THR 126 -26.623 13.093 6.684 770 HG23 THR 126 2HG2 THR 126 -27.414 13.800 5.248 Start of MODEL 6 1 H1 GLY 1 H GLY 1 26.688 -1.208 15.100 2 HA2 GLY 1 1HA GLY 1 27.169 -1.203 12.721 3 HA3 GLY 1 2HA GLY 1 25.516 -1.786 13.005 4 H CYS 2 H CYS 2 25.606 -0.927 10.546 5 HA CYS 2 HA CYS 2 24.522 1.813 10.491 6 HB3 CYS 2 2HB CYS 2 26.777 0.842 8.682 7 HG CYS 2 HG CYS 2 25.665 3.892 9.422 8 H LEU 3 H LEU 3 23.554 2.180 8.336 9 HA LEU 3 HA LEU 3 22.025 1.744 6.770 10 HB3 LEU 3 2HB LEU 3 23.640 -0.714 6.059 11 HG LEU 3 HG LEU 3 21.301 0.531 4.870 12 HD11 LEU 3 1HD1 LEU 3 22.105 1.133 2.649 13 HD12 LEU 3 2HD1 LEU 3 23.783 0.779 3.111 14 HD13 LEU 3 3HD1 LEU 3 22.924 2.145 3.845 15 HD21 LEU 3 3HD2 LEU 3 21.527 -1.227 3.181 16 HD22 LEU 3 1HD2 LEU 3 21.801 -1.872 4.810 17 HD23 LEU 3 2HD2 LEU 3 23.192 -1.551 3.730 18 HA PRO 4 HA PRO 4 19.717 -1.310 9.366 19 HB3 PRO 4 2HB PRO 4 19.198 0.269 10.963 20 HG3 PRO 4 2HG PRO 4 19.045 2.577 10.435 21 HD3 PRO 4 2HD PRO 4 21.161 1.948 9.647 22 H GLY 5 H GLY 5 18.348 -2.651 8.262 23 HA2 GLY 5 1HA GLY 5 16.755 -3.453 6.827 24 HA3 GLY 5 2HA GLY 5 15.944 -1.892 7.009 25 H PHE 6 H PHE 6 15.785 -0.632 5.199 26 HA PHE 6 HA PHE 6 17.814 -0.364 3.227 27 HB3 PHE 6 2HB PHE 6 15.447 -1.000 1.689 28 HD1 PHE 6 2HD PHE 6 18.966 -2.042 2.554 29 HD2 PHE 6 1HD PHE 6 15.665 -2.468 -0.206 30 HE1 PHE 6 2HE PHE 6 20.410 -3.224 1.003 31 HE2 PHE 6 1HE PHE 6 17.150 -3.592 -1.809 32 HZ PHE 6 HZ PHE 6 19.536 -4.043 -1.188 33 HA PRO 7 HA PRO 7 15.697 3.560 2.899 34 HB3 PRO 7 2HB PRO 7 17.267 4.219 1.383 35 HG3 PRO 7 2HG PRO 7 17.979 2.743 -0.381 36 HD3 PRO 7 2HD PRO 7 18.308 1.685 1.740 37 H GLY 8 H GLY 8 13.929 1.022 2.392 38 HA2 GLY 8 1HA GLY 8 11.708 2.267 0.841 39 HA3 GLY 8 2HA GLY 8 11.846 0.536 1.181 40 H ALA 9 H ALA 9 9.964 0.360 2.290 41 HA ALA 9 HA ALA 9 8.301 0.625 3.721 42 HB1 ALA 9 1HB ALA 9 9.571 -0.616 5.180 43 HB2 ALA 9 2HB ALA 9 10.564 0.783 5.674 44 HB3 ALA 9 3HB ALA 9 8.837 0.688 6.109 45 HA PRO 10 HA PRO 10 8.078 5.247 3.668 46 HB3 PRO 10 2HB PRO 10 6.904 5.305 1.700 47 HG3 PRO 10 2HG PRO 10 5.849 3.365 0.876 48 HD3 PRO 10 2HD PRO 10 7.995 2.608 1.450 49 H CYS 11 H CYS 11 6.833 6.542 5.083 50 HA CYS 11 HA CYS 11 5.382 5.116 7.249 51 HB3 CYS 11 2HB CYS 11 6.711 6.547 8.850 52 HG CYS 11 HG CYS 11 8.458 4.543 6.808 53 H ALA 12 H ALA 12 4.733 7.053 8.855 54 HA ALA 12 HA ALA 12 3.251 8.644 9.305 55 HB1 ALA 12 1HB ALA 12 4.398 10.114 6.924 56 HB2 ALA 12 2HB ALA 12 3.556 10.803 8.299 57 HB3 ALA 12 3HB ALA 12 5.153 10.061 8.543 58 H ILE 13 H ILE 13 2.599 6.637 7.022 59 HA ILE 13 HA ILE 13 1.128 7.750 5.047 60 HB ILE 13 HB ILE 13 1.053 5.035 6.365 61 HG13 ILE 13 2HG1 ILE 13 2.902 6.224 4.710 62 HG21 ILE 13 1HG2 ILE 13 -0.144 4.203 4.264 63 HG22 ILE 13 2HG2 ILE 13 -1.161 5.106 5.395 64 HG23 ILE 13 3HG2 ILE 13 -0.552 5.887 3.918 65 HD11 ILE 13 3HD1 ILE 13 3.792 4.123 4.119 66 HD12 ILE 13 1HD1 ILE 13 3.168 3.981 5.777 67 HD13 ILE 13 2HD1 ILE 13 2.262 3.294 4.391 68 H LYS 14 H LYS 14 -0.897 8.498 4.732 69 HA LYS 14 HA LYS 14 -2.975 8.050 6.802 70 HB3 LYS 14 2HB LYS 14 -3.773 10.447 6.145 71 HG3 LYS 14 2HG LYS 14 -1.281 10.183 7.865 72 HD3 LYS 14 2HD LYS 14 -3.741 11.991 8.037 73 HE3 LYS 14 2HE LYS 14 -1.368 11.499 9.873 74 HZ1 LYS 14 3HZ LYS 14 -1.658 13.819 9.725 75 HZ2 LYS 14 1HZ LYS 14 -2.198 13.313 11.175 76 HZ3 LYS 14 2HZ LYS 14 -3.286 13.739 9.995 77 H ILE 15 H ILE 15 -5.143 8.465 5.992 78 HA ILE 15 HA ILE 15 -5.553 8.128 3.118 79 HB ILE 15 HB ILE 15 -6.825 6.371 5.278 80 HG13 ILE 15 2HG1 ILE 15 -4.419 5.900 3.547 81 HG21 ILE 15 1HG2 ILE 15 -8.410 6.601 3.532 82 HG22 ILE 15 2HG2 ILE 15 -7.170 6.549 2.272 83 HG23 ILE 15 3HG2 ILE 15 -7.620 5.086 3.165 84 HD11 ILE 15 3HD1 ILE 15 -4.183 5.856 6.055 85 HD12 ILE 15 1HD1 ILE 15 -5.405 4.576 6.116 86 HD13 ILE 15 2HD1 ILE 15 -3.850 4.277 5.324 87 H SER 16 H SER 16 -7.752 8.819 2.644 88 HA SER 16 HA SER 16 -9.658 9.613 4.754 89 HB3 SER 16 2HB SER 16 -10.070 11.777 4.024 90 HG SER 16 HG SER 16 -8.278 12.762 4.374 91 H LYS 17 H LYS 17 -11.652 8.936 4.193 92 HA LYS 17 HA LYS 17 -12.057 7.588 1.652 93 HB3 LYS 17 2HB LYS 17 -13.970 8.561 3.811 94 HG3 LYS 17 2HG LYS 17 -14.330 6.848 1.294 95 HD3 LYS 17 2HD LYS 17 -16.490 6.865 3.393 96 HE3 LYS 17 2HE LYS 17 -17.086 4.727 2.330 97 HZ1 LYS 17 3HZ LYS 17 -16.714 6.505 0.019 98 HZ2 LYS 17 1HZ LYS 17 -17.856 6.847 1.179 99 HZ3 LYS 17 2HZ LYS 17 -17.916 5.498 0.273 100 H SER 18 H SER 18 -13.394 8.340 -0.059 101 HA SER 18 HA SER 18 -14.277 11.100 -0.172 102 HB3 SER 18 2HB SER 18 -12.640 11.828 -1.553 103 HG SER 18 HG SER 18 -11.568 9.224 -1.466 104 HA PRO 19 HA PRO 19 -17.399 8.730 -2.397 105 HB3 PRO 19 2HB PRO 19 -18.692 10.642 -2.456 106 HG3 PRO 19 2HG PRO 19 -17.734 12.785 -2.895 107 HD3 PRO 19 2HD PRO 19 -16.424 11.949 -1.138 108 H ASP 20 H ASP 20 -14.753 10.265 -4.084 109 HA ASP 20 HA ASP 20 -15.045 8.686 -6.532 110 HB3 ASP 20 2HB ASP 20 -15.256 11.095 -6.787 111 H GLY 21 H GLY 21 -13.602 8.036 -3.766 112 HA2 GLY 21 1HA GLY 21 -11.945 6.131 -4.512 113 HA3 GLY 21 2HA GLY 21 -10.890 7.522 -4.795 114 H ALA 22 H ALA 22 -9.450 6.363 -3.041 115 HA ALA 22 HA ALA 22 -10.270 7.733 -0.516 116 HB1 ALA 22 1HB ALA 22 -8.932 6.233 0.794 117 HB2 ALA 22 2HB ALA 22 -10.210 5.321 -0.008 118 HB3 ALA 22 3HB ALA 22 -8.537 5.241 -0.617 119 H HIS 23 H HIS 23 -9.052 9.410 -0.221 120 HA HIS 23 HA HIS 23 -6.667 10.157 -1.741 121 HB3 HIS 23 2HB HIS 23 -6.494 11.640 0.421 122 HD1 HIS 23 1HD HIS 23 -10.126 11.542 -1.038 123 HD2 HIS 23 2HD HIS 23 -6.463 13.612 -1.435 124 HE1 HIS 23 1HE HIS 23 -10.574 13.473 -2.558 125 H LEU 24 H LEU 24 -4.651 9.192 -1.356 126 HA LEU 24 HA LEU 24 -4.163 8.205 1.413 127 HB3 LEU 24 2HB LEU 24 -2.804 6.520 0.595 128 HG LEU 24 HG LEU 24 -5.013 6.333 -1.498 129 HD11 LEU 24 1HD1 LEU 24 -3.059 4.773 -1.653 130 HD12 LEU 24 2HD1 LEU 24 -4.568 3.924 -1.269 131 HD13 LEU 24 3HD1 LEU 24 -3.394 4.257 0.023 132 HD21 LEU 24 3HD2 LEU 24 -6.153 4.812 0.155 133 HD22 LEU 24 1HD2 LEU 24 -6.272 6.540 0.371 134 HD23 LEU 24 2HD2 LEU 24 -5.153 5.602 1.404 135 H THR 25 H THR 25 -1.829 8.503 2.101 136 HA THR 25 HA THR 25 -0.059 9.782 0.255 137 HB THR 25 HB THR 25 -1.324 11.767 1.161 138 HG1 THR 25 1HG THR 25 0.555 12.941 1.477 139 HG21 THR 25 3HG2 THR 25 -1.772 11.017 3.412 140 HG22 THR 25 1HG2 THR 25 -0.944 12.586 3.372 141 HG23 THR 25 2HG2 THR 25 -0.034 11.126 3.807 142 H TRP 26 H TRP 26 2.109 10.104 1.306 143 HA TRP 26 HA TRP 26 2.836 8.606 3.669 144 HB3 TRP 26 2HB TRP 26 3.125 6.691 2.442 145 HD1 TRP 26 HD TRP 26 4.999 8.135 -0.492 146 HE1 TRP 26 1HE TRP 26 3.747 7.628 -2.641 147 HE3 TRP 26 3HE TRP 26 0.743 6.177 1.540 148 HZ2 TRP 26 2HZ TRP 26 0.986 6.748 -3.356 149 HZ3 TRP 26 3HZ TRP 26 -1.092 5.382 0.101 150 HH2 TRP 26 HH TRP 26 -1.022 5.825 -2.377 151 H GLU 27 H GLU 27 5.353 8.804 3.850 152 HA GLU 27 HA GLU 27 6.341 11.268 2.539 153 HB3 GLU 27 2HB GLU 27 7.461 11.546 4.971 154 HG3 GLU 27 2HG GLU 27 4.585 12.302 4.281 155 HA PRO 28 HA PRO 28 9.810 9.203 1.388 156 HB3 PRO 28 2HB PRO 28 10.800 11.136 0.633 157 HG3 PRO 28 2HG PRO 28 10.559 13.167 1.850 158 HD3 PRO 28 2HD PRO 28 8.404 12.180 1.569 159 HA PRO 29 HA PRO 29 11.831 6.850 4.530 160 HB3 PRO 29 2HB PRO 29 12.561 5.451 2.834 161 HG3 PRO 29 2HG PRO 29 13.489 6.341 0.785 162 HD3 PRO 29 2HD PRO 29 11.334 7.279 1.019 163 H SER 30 H SER 30 13.279 7.120 6.262 164 HA SER 30 HA SER 30 15.251 9.321 6.166 165 HB3 SER 30 2HB SER 30 14.443 10.016 8.413 166 HG SER 30 HG SER 30 12.920 11.296 7.725 167 H VAL 31 H VAL 31 16.207 7.073 5.713 168 HA VAL 31 HA VAL 31 17.339 6.151 8.238 169 HB VAL 31 HB VAL 31 17.455 3.767 7.191 170 HG11 VAL 31 1HG1 VAL 31 15.362 3.167 8.395 171 HG12 VAL 31 2HG1 VAL 31 16.383 4.299 9.290 172 HG13 VAL 31 3HG1 VAL 31 14.927 4.877 8.460 173 HG21 VAL 31 3HG2 VAL 31 15.442 3.048 5.970 174 HG22 VAL 31 1HG2 VAL 31 14.882 4.719 5.835 175 HG23 VAL 31 2HG2 VAL 31 16.360 4.182 5.001 176 H THR 32 H THR 32 17.621 5.467 4.679 177 HA THR 32 HA THR 32 20.346 6.546 4.726 178 HB THR 32 HB THR 32 21.086 4.647 3.369 179 HG1 THR 32 1HG THR 32 19.614 3.620 2.369 180 HG21 THR 32 3HG2 THR 32 21.205 4.392 5.884 181 HG22 THR 32 1HG2 THR 32 21.074 2.865 5.004 182 HG23 THR 32 2HG2 THR 32 19.659 3.518 5.831 183 H SER 33 H SER 33 21.006 6.926 2.318 184 HA SER 33 HA SER 33 19.207 8.790 1.288 185 HB3 SER 33 2HB SER 33 20.935 9.258 -0.268 186 HG SER 33 HG SER 33 22.935 8.607 0.918 187 H GLY 34 H GLY 34 20.402 6.352 -1.047 188 HA2 GLY 34 1HA GLY 34 19.222 4.700 -2.231 189 HA3 GLY 34 2HA GLY 34 17.734 5.148 -1.378 190 H LYS 35 H LYS 35 18.258 4.739 -4.299 191 HA LYS 35 HA LYS 35 17.936 7.515 -5.369 192 HB3 LYS 35 2HB LYS 35 18.276 6.373 -7.583 193 HG3 LYS 35 2HG LYS 35 20.658 5.930 -5.763 194 HD3 LYS 35 2HD LYS 35 20.482 5.419 -8.350 195 HE3 LYS 35 2HE LYS 35 21.058 8.436 -8.394 196 HZ1 LYS 35 3HZ LYS 35 20.476 6.427 -10.475 197 HZ2 LYS 35 1HZ LYS 35 21.885 7.244 -10.285 198 HZ3 LYS 35 2HZ LYS 35 20.495 8.045 -10.750 199 H ILE 36 H ILE 36 15.818 7.718 -4.726 200 HA ILE 36 HA ILE 36 13.812 5.774 -5.654 201 HB ILE 36 HB ILE 36 13.649 8.349 -4.088 202 HG13 ILE 36 2HG1 ILE 36 12.874 5.436 -3.602 203 HG21 ILE 36 1HG2 ILE 36 11.731 8.452 -5.619 204 HG22 ILE 36 2HG2 ILE 36 11.261 6.786 -5.175 205 HG23 ILE 36 3HG2 ILE 36 11.205 8.102 -3.981 206 HD11 ILE 36 3HD1 ILE 36 14.874 7.210 -2.156 207 HD12 ILE 36 1HD1 ILE 36 14.255 5.677 -1.518 208 HD13 ILE 36 2HD1 ILE 36 15.210 5.679 -3.000 209 H ILE 37 H ILE 37 12.494 5.979 -7.346 210 HA ILE 37 HA ILE 37 12.861 8.202 -9.246 211 HB ILE 37 HB ILE 37 12.892 6.300 -11.044 212 HG13 ILE 37 2HG1 ILE 37 12.531 4.416 -9.437 213 HG21 ILE 37 1HG2 ILE 37 15.329 6.366 -11.050 214 HG22 ILE 37 2HG2 ILE 37 14.683 7.929 -10.553 215 HG23 ILE 37 3HG2 ILE 37 15.348 6.813 -9.331 216 HD11 ILE 37 3HD1 ILE 37 13.760 3.939 -11.589 217 HD12 ILE 37 1HD1 ILE 37 15.290 4.087 -10.665 218 HD13 ILE 37 2HD1 ILE 37 14.122 2.839 -10.241 219 H GLU 38 H GLU 38 10.775 5.770 -7.793 220 HA GLU 38 HA GLU 38 8.519 7.286 -8.706 221 HB3 GLU 38 2HB GLU 38 8.159 4.408 -9.461 222 HG3 GLU 38 2HG GLU 38 6.435 6.302 -9.693 223 H TYR 39 H TYR 39 6.403 5.684 -7.920 224 HA TYR 39 HA TYR 39 7.177 4.138 -5.536 225 HB3 TYR 39 2HB TYR 39 4.777 5.052 -4.703 226 HD1 TYR 39 1HD TYR 39 7.538 7.533 -4.969 227 HD2 TYR 39 2HD TYR 39 5.702 4.448 -2.608 228 HE1 TYR 39 1HE TYR 39 8.987 8.146 -3.080 229 HE2 TYR 39 2HE TYR 39 7.079 5.131 -0.638 230 HH TYR 39 HH TYR 39 9.170 8.003 -0.741 231 H SER 40 H SER 40 5.122 2.769 -4.892 232 HA SER 40 HA SER 40 3.231 2.252 -7.013 233 HB3 SER 40 2HB SER 40 3.717 -0.150 -7.140 234 HG SER 40 HG SER 40 5.161 1.809 -8.137 235 H VAL 41 H VAL 41 1.487 0.814 -6.197 236 HA VAL 41 HA VAL 41 1.165 0.696 -3.276 237 HB VAL 41 HB VAL 41 -0.656 2.361 -5.101 238 HG11 VAL 41 1HG1 VAL 41 -2.042 1.741 -3.406 239 HG12 VAL 41 2HG1 VAL 41 -0.758 1.698 -2.161 240 HG13 VAL 41 3HG1 VAL 41 -1.418 3.235 -2.749 241 HG21 VAL 41 3HG2 VAL 41 1.278 3.481 -3.051 242 HG22 VAL 41 1HG2 VAL 41 1.473 3.603 -4.814 243 HG23 VAL 41 2HG2 VAL 41 0.110 4.382 -4.044 244 H TYR 42 H TYR 42 0.174 -1.185 -2.893 245 HA TYR 42 HA TYR 42 -1.385 -2.520 -5.052 246 HB3 TYR 42 2HB TYR 42 -0.234 -4.531 -4.594 247 HD1 TYR 42 1HD TYR 42 0.584 -4.056 -6.864 248 HD2 TYR 42 2HD TYR 42 2.597 -2.557 -3.345 249 HE1 TYR 42 1HE TYR 42 2.563 -3.585 -8.218 250 HE2 TYR 42 2HE TYR 42 4.624 -2.143 -4.693 251 HH TYR 42 HH TYR 42 4.700 -2.505 -8.223 252 H LEU 43 H LEU 43 -3.151 -3.755 -4.323 253 HA LEU 43 HA LEU 43 -3.951 -3.305 -1.482 254 HB3 LEU 43 2HB LEU 43 -5.794 -3.337 -3.893 255 HG LEU 43 HG LEU 43 -6.234 -1.502 -1.604 256 HD11 LEU 43 1HD1 LEU 43 -7.666 -1.615 -3.727 257 HD12 LEU 43 2HD1 LEU 43 -8.555 -1.771 -2.220 258 HD13 LEU 43 3HD1 LEU 43 -8.211 -3.204 -3.207 259 HD21 LEU 43 3HD2 LEU 43 -7.637 -3.064 -0.401 260 HD22 LEU 43 1HD2 LEU 43 -5.971 -3.580 -0.334 261 HD23 LEU 43 2HD2 LEU 43 -7.121 -4.388 -1.455 262 H ALA 44 H ALA 44 -4.503 -5.167 -0.422 263 HA ALA 44 HA ALA 44 -4.578 -7.789 -1.707 264 HB1 ALA 44 1HB ALA 44 -3.510 -7.576 0.471 265 HB2 ALA 44 2HB ALA 44 -4.967 -6.805 1.147 266 HB3 ALA 44 3HB ALA 44 -5.014 -8.506 0.658 267 H ILE 45 H ILE 45 -6.365 -8.596 -2.590 268 HA ILE 45 HA ILE 45 -9.038 -7.592 -1.842 269 HB ILE 45 HB ILE 45 -9.714 -7.545 -4.097 270 HG13 ILE 45 2HG1 ILE 45 -8.310 -8.069 -6.045 271 HG21 ILE 45 1HG2 ILE 45 -8.464 -5.796 -5.071 272 HG22 ILE 45 2HG2 ILE 45 -8.462 -5.575 -3.322 273 HG23 ILE 45 3HG2 ILE 45 -7.014 -6.203 -4.137 274 HD11 ILE 45 3HD1 ILE 45 -6.051 -8.318 -4.883 275 HD12 ILE 45 1HD1 ILE 45 -6.710 -9.811 -4.146 276 HD13 ILE 45 2HD1 ILE 45 -6.552 -9.690 -5.898 277 H GLN 46 H GLN 46 -10.640 -9.334 -3.109 278 HA GLN 46 HA GLN 46 -10.244 -11.836 -1.787 279 HB3 GLN 46 2HB GLN 46 -12.376 -10.790 -2.423 280 HG3 GLN 46 2HG GLN 46 -11.522 -10.574 -4.925 281 HE21 GLN 46 1HE2 GLN 46 -11.160 -11.880 -6.757 282 HE22 GLN 46 2HE2 GLN 46 -11.922 -13.414 -7.063 283 H SER 47 H SER 47 -9.853 -13.850 -2.648 284 HA SER 47 HA SER 47 -8.541 -15.409 -3.667 285 HB3 SER 47 2HB SER 47 -8.367 -15.320 -6.177 286 HG SER 47 HG SER 47 -10.048 -16.451 -5.630 287 H SER 48 H SER 48 -6.885 -14.437 -2.286 288 HA SER 48 HA SER 48 -4.491 -14.400 -3.921 289 HB3 SER 48 2HB SER 48 -3.397 -12.717 -2.470 290 HG SER 48 HG SER 48 -4.159 -11.078 -3.556 291 H GLN 49 H GLN 49 -2.865 -15.642 -2.804 292 HA GLN 49 HA GLN 49 -3.781 -16.971 -0.301 293 HB3 GLN 49 2HB GLN 49 -3.835 -18.478 -2.150 294 HG3 GLN 49 2HG GLN 49 -1.759 -19.342 -3.204 295 HE21 GLN 49 1HE2 GLN 49 -0.569 -16.471 -4.100 296 HE22 GLN 49 2HE2 GLN 49 -1.633 -16.049 -5.419 297 H ALA 50 H ALA 50 -1.790 -14.543 -0.866 298 HA ALA 50 HA ALA 50 0.295 -15.483 1.048 299 HB1 ALA 50 1HB ALA 50 1.355 -15.606 -1.098 300 HB2 ALA 50 2HB ALA 50 0.657 -14.047 -1.597 301 HB3 ALA 50 3HB ALA 50 1.913 -14.097 -0.355 302 H SER 51 H SER 51 1.284 -13.724 2.219 303 HA SER 51 HA SER 51 0.845 -10.992 1.951 304 HB3 SER 51 2HB SER 51 -0.605 -10.810 4.204 305 HG SER 51 HG SER 51 -1.738 -11.314 1.665 306 H GLY 52 H GLY 52 2.939 -10.707 2.546 307 HA2 GLY 52 1HA GLY 52 3.691 -10.814 5.325 308 HA3 GLY 52 2HA GLY 52 4.449 -12.110 4.387 309 H GLU 53 H GLU 53 6.505 -11.492 3.658 310 HA GLU 53 HA GLU 53 6.737 -8.917 2.262 311 HB3 GLU 53 2HB GLU 53 9.138 -8.796 3.432 312 HG3 GLU 53 2HG GLU 53 6.703 -8.040 5.087 313 HA PRO 54 HA PRO 54 9.001 -11.230 -0.737 314 HB3 PRO 54 2HB PRO 54 9.313 -9.311 -1.917 315 HG3 PRO 54 2HG PRO 54 9.765 -7.256 -0.826 316 HD3 PRO 54 2HD PRO 54 7.860 -8.091 0.276 317 H LYS 55 H LYS 55 10.274 -12.963 -0.361 318 HA LYS 55 HA LYS 55 11.929 -14.350 0.354 319 HB3 LYS 55 2HB LYS 55 14.213 -13.513 0.661 320 HG3 LYS 55 2HG LYS 55 12.917 -12.233 -1.775 321 HD3 LYS 55 2HD LYS 55 15.737 -12.495 -0.758 322 HE3 LYS 55 2HE LYS 55 15.588 -13.926 -2.834 323 HZ1 LYS 55 3HZ LYS 55 14.234 -12.323 -4.183 324 HZ2 LYS 55 1HZ LYS 55 15.656 -12.808 -4.883 325 HZ3 LYS 55 2HZ LYS 55 15.555 -11.328 -4.226 326 H SER 56 H SER 56 10.112 -12.815 2.447 327 HA SER 56 HA SER 56 11.793 -13.400 4.826 328 HB3 SER 56 2HB SER 56 10.217 -12.159 6.069 329 HG SER 56 HG SER 56 11.535 -10.921 4.541 330 H SER 57 H SER 57 8.229 -14.066 4.720 331 HA SER 57 HA SER 57 8.839 -16.980 4.910 332 HB3 SER 57 2HB SER 57 7.121 -17.039 6.738 333 HG SER 57 HG SER 57 9.258 -17.096 7.267 334 H THR 58 H THR 58 7.564 -15.049 2.790 335 HA THR 58 HA THR 58 5.360 -16.943 2.159 336 HB THR 58 HB THR 58 4.380 -14.966 3.098 337 HG1 THR 58 1HG THR 58 3.685 -15.936 0.849 338 HG21 THR 58 3HG2 THR 58 4.474 -12.765 2.033 339 HG22 THR 58 1HG2 THR 58 5.711 -13.312 0.914 340 HG23 THR 58 2HG2 THR 58 6.055 -13.247 2.660 341 HA PRO 59 HA PRO 59 8.309 -16.573 -1.383 342 HB3 PRO 59 2HB PRO 59 10.098 -17.663 -0.411 343 HG3 PRO 59 2HG PRO 59 9.801 -19.253 1.280 344 HD3 PRO 59 2HD PRO 59 8.524 -17.566 2.152 345 H ALA 60 H ALA 60 6.139 -16.471 -2.290 346 HA ALA 60 HA ALA 60 6.029 -18.644 -4.158 347 HB1 ALA 60 1HB ALA 60 3.376 -18.070 -2.752 348 HB2 ALA 60 2HB ALA 60 3.777 -19.377 -3.903 349 HB3 ALA 60 3HB ALA 60 4.414 -19.416 -2.261 350 H GLN 61 H GLN 61 6.295 -15.674 -3.909 351 HA GLN 61 HA GLN 61 5.622 -13.666 -4.629 352 HB3 GLN 61 2HB GLN 61 4.784 -13.263 -6.732 353 HG3 GLN 61 2HG GLN 61 5.805 -14.769 -8.339 354 HE21 GLN 61 1HE2 GLN 61 8.046 -16.352 -6.996 355 HE22 GLN 61 2HE2 GLN 61 9.257 -15.113 -6.727 356 H LEU 62 H LEU 62 3.371 -12.471 -5.425 357 HA LEU 62 HA LEU 62 1.420 -13.127 -3.298 358 HB3 LEU 62 2HB LEU 62 1.669 -11.147 -2.218 359 HG LEU 62 HG LEU 62 4.269 -10.959 -3.819 360 HD11 LEU 62 1HD1 LEU 62 3.403 -9.230 -1.494 361 HD12 LEU 62 2HD1 LEU 62 3.514 -8.719 -3.193 362 HD13 LEU 62 3HD1 LEU 62 4.974 -9.195 -2.344 363 HD21 LEU 62 3HD2 LEU 62 5.333 -11.689 -1.758 364 HD22 LEU 62 1HD2 LEU 62 4.077 -12.841 -2.154 365 HD23 LEU 62 2HD2 LEU 62 3.751 -11.667 -0.895 366 H ALA 63 H ALA 63 -0.577 -11.791 -3.645 367 HA ALA 63 HA ALA 63 -1.038 -11.129 -6.502 368 HB1 ALA 63 1HB ALA 63 -2.078 -13.258 -6.394 369 HB2 ALA 63 2HB ALA 63 -2.716 -12.972 -4.767 370 HB3 ALA 63 3HB ALA 63 -3.402 -12.115 -6.154 371 H PHE 64 H PHE 64 -1.561 -9.005 -6.561 372 HA PHE 64 HA PHE 64 -3.415 -7.878 -4.589 373 HB3 PHE 64 2HB PHE 64 -2.027 -5.869 -4.290 374 HD1 PHE 64 1HD PHE 64 -2.641 -8.242 -2.434 375 HD2 PHE 64 2HD PHE 64 1.029 -6.358 -3.678 376 HE1 PHE 64 1HE PHE 64 -1.513 -9.168 -0.469 377 HE2 PHE 64 2HE PHE 64 2.168 -7.273 -1.698 378 HZ PHE 64 HZ PHE 64 0.949 -8.781 -0.144 379 H MET 65 H MET 65 -4.507 -6.092 -5.483 380 HA MET 65 HA MET 65 -4.811 -6.391 -8.270 381 HB3 MET 65 2HB MET 65 -6.148 -4.311 -6.486 382 HG3 MET 65 2HG MET 65 -6.633 -5.530 -9.145 383 HE1 MET 65 3HE MET 65 -9.148 -3.981 -6.475 384 HE2 MET 65 1HE MET 65 -9.365 -3.373 -8.136 385 HE3 MET 65 2HE MET 65 -10.621 -4.381 -7.395 386 H ARG 66 H ARG 66 -2.315 -4.775 -7.222 387 HA ARG 66 HA ARG 66 -1.160 -2.781 -7.650 388 HB3 ARG 66 2HB ARG 66 -0.389 -4.425 -9.230 389 HG3 ARG 66 2HG ARG 66 -2.646 -3.434 -10.985 390 HD3 ARG 66 2HD ARG 66 -0.440 -3.006 -12.154 391 HE ARG 66 HE ARG 66 0.271 -5.555 -11.306 392 HH11 ARG 66 1HH1 ARG 66 0.040 -4.016 -14.538 393 HH12 ARG 66 2HH1 ARG 66 1.147 -5.142 -15.255 394 HH21 ARG 66 1HH2 ARG 66 1.683 -6.913 -12.218 395 HH22 ARG 66 2HH2 ARG 66 2.105 -6.860 -13.921 396 H VAL 67 H VAL 67 -3.169 -1.659 -6.821 397 HA VAL 67 HA VAL 67 -4.880 -0.287 -8.587 398 HB VAL 67 HB VAL 67 -5.621 0.921 -6.510 399 HG11 VAL 67 1HG1 VAL 67 -6.365 -1.408 -7.104 400 HG12 VAL 67 2HG1 VAL 67 -5.106 -2.058 -6.037 401 HG13 VAL 67 3HG1 VAL 67 -6.390 -1.037 -5.371 402 HG21 VAL 67 3HG2 VAL 67 -3.312 -0.550 -5.140 403 HG22 VAL 67 1HG2 VAL 67 -3.419 1.203 -5.395 404 HG23 VAL 67 2HG2 VAL 67 -4.596 0.380 -4.365 405 H TYR 68 H TYR 68 -1.618 0.541 -7.603 406 HA TYR 68 HA TYR 68 -1.674 3.346 -8.024 407 HB3 TYR 68 2HB TYR 68 0.483 1.262 -8.493 408 HD1 TYR 68 2HD TYR 68 1.356 2.346 -10.614 409 HD2 TYR 68 1HD TYR 68 1.024 4.538 -6.909 410 HE1 TYR 68 2HE TYR 68 2.906 4.047 -11.487 411 HE2 TYR 68 1HE TYR 68 2.657 6.181 -7.751 412 HH TYR 68 HH TYR 68 4.127 6.722 -9.459 413 H CYS 69 H CYS 69 -2.273 4.398 -9.740 414 HA CYS 69 HA CYS 69 -0.875 4.017 -12.226 415 HB3 CYS 69 2HB CYS 69 -3.189 4.571 -13.395 416 HG CYS 69 HG CYS 69 -3.909 2.076 -13.985 417 H GLY 70 H GLY 70 0.143 6.003 -11.294 418 HA2 GLY 70 1HA GLY 70 -1.448 8.357 -11.843 419 HA3 GLY 70 2HA GLY 70 -0.926 8.210 -10.152 420 HA PRO 71 HA PRO 71 2.476 9.798 -13.081 421 HB3 PRO 71 2HB PRO 71 1.391 11.589 -14.001 422 HG3 PRO 71 2HG PRO 71 -0.412 12.659 -12.915 423 HD3 PRO 71 2HD PRO 71 -0.998 10.394 -12.839 424 H SER 72 H SER 72 1.545 11.584 -10.060 425 HA SER 72 HA SER 72 4.305 11.564 -9.088 426 HB3 SER 72 2HB SER 72 3.725 13.676 -8.715 427 HG SER 72 HG SER 72 1.497 14.361 -8.454 428 HA PRO 73 HA PRO 73 3.104 8.710 -5.803 429 HB3 PRO 73 2HB PRO 73 5.309 8.838 -5.036 430 HG3 PRO 73 2HG PRO 73 6.427 10.944 -4.814 431 HD3 PRO 73 2HD PRO 73 5.772 10.777 -7.061 432 H SER 74 H SER 74 2.046 8.679 -3.661 433 HA SER 74 HA SER 74 0.494 9.230 -2.134 434 HB3 SER 74 2HB SER 74 0.717 11.349 -1.026 435 HG SER 74 HG SER 74 3.236 11.533 -1.607 436 H CYS 75 H CYS 75 -0.570 8.998 -4.740 437 HA CYS 75 HA CYS 75 -2.501 11.224 -5.028 438 HB3 CYS 75 2HB CYS 75 -3.261 9.963 -7.010 439 HG CYS 75 HG CYS 75 -1.776 11.066 -8.467 440 H LEU 76 H LEU 76 -4.784 10.384 -5.542 441 HA LEU 76 HA LEU 76 -5.936 8.843 -3.352 442 HB3 LEU 76 2HB LEU 76 -6.912 10.412 -5.749 443 HG LEU 76 HG LEU 76 -8.637 8.486 -4.207 444 HD11 LEU 76 1HD1 LEU 76 -10.592 9.996 -4.671 445 HD12 LEU 76 2HD1 LEU 76 -9.433 11.294 -5.023 446 HD13 LEU 76 3HD1 LEU 76 -9.494 10.569 -3.409 447 HD21 LEU 76 3HD2 LEU 76 -9.807 8.431 -6.407 448 HD22 LEU 76 1HD2 LEU 76 -8.096 8.132 -6.643 449 HD23 LEU 76 2HD2 LEU 76 -8.770 9.723 -7.010 450 H VAL 77 H VAL 77 -7.425 6.984 -3.951 451 HA VAL 77 HA VAL 77 -6.396 5.347 -6.202 452 HB VAL 77 HB VAL 77 -5.700 4.926 -3.675 453 HG11 VAL 77 1HG1 VAL 77 -6.934 3.389 -2.413 454 HG12 VAL 77 2HG1 VAL 77 -7.928 4.820 -2.737 455 HG13 VAL 77 3HG1 VAL 77 -8.206 3.315 -3.661 456 HG21 VAL 77 3HG2 VAL 77 -5.187 3.458 -5.710 457 HG22 VAL 77 1HG2 VAL 77 -5.334 2.587 -4.177 458 HG23 VAL 77 2HG2 VAL 77 -6.694 2.569 -5.332 459 H GLN 78 H GLN 78 -8.048 4.153 -7.262 460 HA GLN 78 HA GLN 78 -10.532 5.458 -7.366 461 HB3 GLN 78 2HB GLN 78 -11.137 3.653 -8.941 462 HG3 GLN 78 2HG GLN 78 -8.654 5.197 -9.187 463 HE21 GLN 78 1HE2 GLN 78 -6.593 4.339 -9.667 464 HE22 GLN 78 2HE2 GLN 78 -6.357 2.857 -10.570 465 H SER 79 H SER 79 -12.660 4.910 -6.783 466 HA SER 79 HA SER 79 -13.209 3.515 -4.433 467 HB3 SER 79 2HB SER 79 -15.273 4.389 -4.796 468 HG SER 79 HG SER 79 -15.217 5.807 -6.886 469 H SER 80 H SER 80 -13.667 2.532 -7.870 470 HA SER 80 HA SER 80 -14.800 0.086 -7.734 471 HB3 SER 80 2HB SER 80 -14.169 1.197 -9.802 472 HG SER 80 HG SER 80 -12.078 1.517 -10.417 473 H SER 81 H SER 81 -11.367 0.739 -7.331 474 HA SER 81 HA SER 81 -10.581 -1.985 -6.984 475 HB3 SER 81 2HB SER 81 -8.425 -0.981 -6.245 476 HG SER 81 HG SER 81 -9.831 -0.010 -8.507 477 H LEU 82 H LEU 82 -11.417 0.575 -4.700 478 HA LEU 82 HA LEU 82 -10.760 -0.860 -2.279 479 HB3 LEU 82 2HB LEU 82 -12.292 0.937 -1.267 480 HG LEU 82 HG LEU 82 -9.986 1.782 -3.109 481 HD11 LEU 82 1HD1 LEU 82 -11.503 3.436 -1.053 482 HD12 LEU 82 2HD1 LEU 82 -11.577 3.647 -2.818 483 HD13 LEU 82 3HD1 LEU 82 -10.061 3.940 -1.981 484 HD21 LEU 82 3HD2 LEU 82 -10.195 1.500 -0.081 485 HD22 LEU 82 1HD2 LEU 82 -8.782 2.095 -0.983 486 HD23 LEU 82 2HD2 LEU 82 -9.312 0.409 -1.154 487 H SER 83 H SER 83 -13.678 -0.725 -4.369 488 HA SER 83 HA SER 83 -15.448 -2.139 -2.710 489 HB3 SER 83 2HB SER 83 -16.742 -2.425 -4.690 490 HG SER 83 HG SER 83 -16.243 -0.152 -4.223 491 H ASN 84 H ASN 84 -12.498 -3.449 -3.721 492 HA ASN 84 HA ASN 84 -13.653 -6.224 -3.807 493 HB3 ASN 84 2HB ASN 84 -11.578 -6.791 -5.115 494 HD21 ASN 84 1HD2 ASN 84 -13.026 -3.752 -6.474 495 HD22 ASN 84 2HD2 ASN 84 -13.867 -4.580 -7.739 496 H ALA 85 H ALA 85 -11.983 -4.088 -1.854 497 HA ALA 85 HA ALA 85 -9.576 -5.459 -1.260 498 HB1 ALA 85 1HB ALA 85 -9.474 -3.844 0.574 499 HB2 ALA 85 2HB ALA 85 -10.012 -3.019 -0.914 500 HB3 ALA 85 3HB ALA 85 -11.188 -3.438 0.352 501 H HIS 86 H HIS 86 -9.045 -6.855 0.241 502 HA HIS 86 HA HIS 86 -11.102 -8.212 1.838 503 HB3 HIS 86 2HB HIS 86 -8.898 -9.187 0.733 504 HD1 HIS 86 1HD HIS 86 -7.284 -6.762 2.592 505 HD2 HIS 86 2HD HIS 86 -7.344 -10.960 2.886 506 HE1 HIS 86 1HE HIS 86 -5.199 -7.424 3.851 507 H ILE 87 H ILE 87 -10.911 -8.299 4.260 508 HA ILE 87 HA ILE 87 -9.978 -5.709 5.379 509 HB ILE 87 HB ILE 87 -12.434 -7.397 5.979 510 HG13 ILE 87 2HG1 ILE 87 -13.780 -5.622 5.050 511 HG21 ILE 87 1HG2 ILE 87 -13.183 -5.486 7.388 512 HG22 ILE 87 2HG2 ILE 87 -11.756 -6.320 8.017 513 HG23 ILE 87 3HG2 ILE 87 -11.581 -4.748 7.189 514 HD11 ILE 87 3HD1 ILE 87 -11.217 -4.196 4.225 515 HD12 ILE 87 1HD1 ILE 87 -12.849 -3.799 3.666 516 HD13 ILE 87 2HD1 ILE 87 -12.432 -3.584 5.370 517 H ASP 88 H ASP 88 -8.984 -5.726 7.296 518 HA ASP 88 HA ASP 88 -7.586 -8.086 8.115 519 HB3 ASP 88 2HB ASP 88 -7.724 -5.283 9.249 520 H TYR 89 H TYR 89 -9.283 -9.571 8.634 521 HA TYR 89 HA TYR 89 -10.956 -9.148 11.004 522 HB3 TYR 89 2HB TYR 89 -10.948 -11.837 10.598 523 HD1 TYR 89 2HD TYR 89 -12.058 -8.834 8.563 524 HD2 TYR 89 1HD TYR 89 -13.225 -12.402 10.726 525 HE1 TYR 89 2HE TYR 89 -14.422 -8.172 8.378 526 HE2 TYR 89 1HE TYR 89 -15.586 -11.776 10.478 527 HH TYR 89 HH TYR 89 -17.013 -9.942 10.040 528 H THR 90 H THR 90 -7.640 -10.040 10.432 529 HA THR 90 HA THR 90 -7.206 -11.616 12.754 530 HB THR 90 HB THR 90 -4.762 -10.471 12.078 531 HG1 THR 90 1HG THR 90 -5.616 -9.273 10.336 532 HG21 THR 90 3HG2 THR 90 -4.394 -12.489 10.738 533 HG22 THR 90 1HG2 THR 90 -6.144 -12.792 10.660 534 HG23 THR 90 2HG2 THR 90 -5.277 -12.896 12.213 535 H THR 91 H THR 91 -7.678 -8.135 12.480 536 HA THR 91 HA THR 91 -7.076 -7.920 15.319 537 HB THR 91 HB THR 91 -5.895 -5.623 13.945 538 HG1 THR 91 1HG THR 91 -5.284 -6.940 12.356 539 HG21 THR 91 3HG2 THR 91 -4.871 -7.693 15.892 540 HG22 THR 91 1HG2 THR 91 -5.532 -6.092 16.267 541 HG23 THR 91 2HG2 THR 91 -3.980 -6.235 15.407 542 H LYS 92 H LYS 92 -7.776 -5.585 12.573 543 HA LYS 92 HA LYS 92 -10.320 -4.895 13.907 544 HB3 LYS 92 2HB LYS 92 -9.606 -2.408 13.536 545 HG3 LYS 92 2HG LYS 92 -7.882 -2.998 15.759 546 HD3 LYS 92 2HD LYS 92 -9.417 -1.038 15.633 547 HE3 LYS 92 2HE LYS 92 -11.444 -3.232 15.534 548 HZ1 LYS 92 3HZ LYS 92 -12.069 -2.362 17.598 549 HZ2 LYS 92 1HZ LYS 92 -13.089 -1.697 16.486 550 HZ3 LYS 92 2HZ LYS 92 -11.908 -0.773 17.092 551 HA PRO 93 HA PRO 93 -11.272 -4.996 9.741 552 HB3 PRO 93 2HB PRO 93 -13.470 -5.195 10.385 553 HG3 PRO 93 2HG PRO 93 -14.381 -3.825 12.099 554 HD3 PRO 93 2HD PRO 93 -12.450 -4.739 13.110 555 H ALA 94 H ALA 94 -9.635 -4.031 8.712 556 HA ALA 94 HA ALA 94 -9.926 -1.248 7.748 557 HB1 ALA 94 1HB ALA 94 -7.567 -2.579 9.181 558 HB2 ALA 94 2HB ALA 94 -7.352 -1.166 8.142 559 HB3 ALA 94 3HB ALA 94 -8.372 -1.069 9.584 560 H ILE 95 H ILE 95 -8.708 -0.910 5.785 561 HA ILE 95 HA ILE 95 -8.180 -3.324 4.142 562 HB ILE 95 HB ILE 95 -8.508 -0.362 3.577 563 HG13 ILE 95 2HG1 ILE 95 -10.483 -1.883 3.753 564 HG21 ILE 95 1HG2 ILE 95 -6.572 -0.940 2.240 565 HG22 ILE 95 2HG2 ILE 95 -7.348 -2.421 1.677 566 HG23 ILE 95 3HG2 ILE 95 -7.955 -0.830 1.168 567 HD11 ILE 95 3HD1 ILE 95 -10.686 0.028 2.183 568 HD12 ILE 95 1HD1 ILE 95 -10.102 -1.013 0.864 569 HD13 ILE 95 2HD1 ILE 95 -11.611 -1.399 1.674 570 H ILE 96 H ILE 96 -6.131 -4.036 3.716 571 HA ILE 96 HA ILE 96 -3.834 -2.544 4.700 572 HB ILE 96 HB ILE 96 -4.197 -5.284 3.437 573 HG13 ILE 96 2HG1 ILE 96 -3.167 -4.224 6.087 574 HG21 ILE 96 1HG2 ILE 96 -1.521 -3.903 3.857 575 HG22 ILE 96 2HG2 ILE 96 -1.759 -5.628 3.497 576 HG23 ILE 96 3HG2 ILE 96 -2.228 -4.432 2.301 577 HD11 ILE 96 3HD1 ILE 96 -4.639 -6.801 5.835 578 HD12 ILE 96 1HD1 ILE 96 -4.635 -5.566 7.120 579 HD13 ILE 96 2HD1 ILE 96 -5.577 -5.301 5.630 580 H PHE 97 H PHE 97 -2.527 -1.551 3.646 581 HA PHE 97 HA PHE 97 -2.610 -1.448 0.660 582 HB3 PHE 97 2HB PHE 97 -1.798 0.898 0.781 583 HD1 PHE 97 1HD PHE 97 -4.119 -0.152 -0.412 584 HD2 PHE 97 2HD PHE 97 -3.924 1.998 3.314 585 HE1 PHE 97 1HE PHE 97 -6.418 0.517 -0.756 586 HE2 PHE 97 2HE PHE 97 -6.313 2.705 2.952 587 HZ PHE 97 HZ PHE 97 -7.545 2.010 0.959 588 H ARG 98 H ARG 98 -0.857 -2.440 -0.077 589 HA ARG 98 HA ARG 98 1.696 -2.459 1.461 590 HB3 ARG 98 2HB ARG 98 2.377 -3.521 -0.897 591 HG3 ARG 98 2HG ARG 98 2.504 -4.594 1.335 592 HD3 ARG 98 2HD ARG 98 -0.186 -5.813 0.585 593 HE ARG 98 HE ARG 98 1.796 -6.381 2.733 594 HH11 ARG 98 1HH1 ARG 98 -1.328 -7.308 1.258 595 HH12 ARG 98 2HH1 ARG 98 -1.509 -8.716 2.268 596 HH21 ARG 98 1HH2 ARG 98 1.399 -8.143 4.155 597 HH22 ARG 98 2HH2 ARG 98 -0.081 -9.043 4.036 598 H ILE 99 H ILE 99 3.137 -0.815 1.053 599 HA ILE 99 HA ILE 99 3.025 0.572 -1.564 600 HB ILE 99 HB ILE 99 3.368 1.994 1.109 601 HG13 ILE 99 2HG1 ILE 99 0.880 1.210 0.494 602 HG21 ILE 99 1HG2 ILE 99 4.542 3.079 -0.825 603 HG22 ILE 99 2HG2 ILE 99 3.029 3.106 -1.722 604 HG23 ILE 99 3HG2 ILE 99 3.215 4.078 -0.259 605 HD11 ILE 99 3HD1 ILE 99 -0.020 3.393 1.285 606 HD12 ILE 99 1HD1 ILE 99 1.192 2.634 2.339 607 HD13 ILE 99 2HD1 ILE 99 1.646 4.005 1.310 608 H ALA 100 H ALA 100 5.216 1.247 -2.209 609 HA ALA 100 HA ALA 100 7.345 1.144 -0.294 610 HB1 ALA 100 1HB ALA 100 7.463 -1.227 -0.785 611 HB2 ALA 100 2HB ALA 100 7.316 -0.939 -2.530 612 HB3 ALA 100 3HB ALA 100 8.790 -0.451 -1.652 613 H ALA 101 H ALA 101 9.193 2.243 -1.067 614 HA ALA 101 HA ALA 101 8.811 4.139 -3.203 615 HB1 ALA 101 1HB ALA 101 10.071 4.679 -1.163 616 HB2 ALA 101 2HB ALA 101 11.285 3.434 -1.545 617 HB3 ALA 101 3HB ALA 101 11.046 4.854 -2.599 618 H ARG 102 H ARG 102 9.182 3.787 -5.286 619 HA ARG 102 HA ARG 102 10.492 1.319 -6.228 620 HB3 ARG 102 2HB ARG 102 9.528 3.576 -7.970 621 HG3 ARG 102 2HG ARG 102 8.571 1.637 -9.267 622 HD3 ARG 102 2HD ARG 102 10.737 0.726 -10.115 623 HE ARG 102 HE ARG 102 10.754 3.725 -9.887 624 HH11 ARG 102 1HH1 ARG 102 10.309 0.889 -12.066 625 HH12 ARG 102 2HH1 ARG 102 10.319 1.874 -13.473 626 HH21 ARG 102 1HH2 ARG 102 10.609 4.992 -11.889 627 HH22 ARG 102 2HH2 ARG 102 10.464 4.096 -13.356 628 H ASN 103 H ASN 103 12.618 1.471 -5.797 629 HA ASN 103 HA ASN 103 14.160 3.815 -6.779 630 HB3 ASN 103 2HB ASN 103 14.357 3.639 -4.339 631 HD21 ASN 103 1HD2 ASN 103 12.986 1.675 -3.591 632 HD22 ASN 103 2HD2 ASN 103 13.821 0.166 -3.358 633 H GLU 104 H GLU 104 16.494 3.104 -7.286 634 HA GLU 104 HA GLU 104 16.302 1.350 -9.453 635 HB3 GLU 104 2HB GLU 104 17.641 3.148 -9.504 636 HG3 GLU 104 2HG GLU 104 18.863 2.217 -7.156 637 H LYS 105 H LYS 105 17.312 0.674 -6.143 638 HA LYS 105 HA LYS 105 18.652 -1.817 -6.658 639 HB3 LYS 105 2HB LYS 105 17.247 -1.389 -4.055 640 HG3 LYS 105 2HG LYS 105 19.348 -1.883 -3.156 641 HD3 LYS 105 2HD LYS 105 17.884 -3.839 -4.122 642 HE3 LYS 105 2HE LYS 105 18.848 -3.883 -6.446 643 HZ1 LYS 105 3HZ LYS 105 21.087 -4.806 -6.625 644 HZ2 LYS 105 1HZ LYS 105 21.361 -4.526 -5.041 645 HZ3 LYS 105 2HZ LYS 105 21.108 -3.263 -6.065 646 H GLY 106 H GLY 106 15.378 -0.925 -5.472 647 HA2 GLY 106 1HA GLY 106 13.709 -2.467 -6.875 648 HA3 GLY 106 2HA GLY 106 14.490 -3.683 -5.801 649 H TYR 107 H TYR 107 11.815 -3.251 -5.693 650 HA TYR 107 HA TYR 107 11.104 -1.900 -3.226 651 HB3 TYR 107 2HB TYR 107 9.160 -3.338 -3.273 652 HD1 TYR 107 1HD TYR 107 8.835 -0.832 -4.234 653 HD2 TYR 107 2HD TYR 107 9.526 -4.293 -6.715 654 HE1 TYR 107 1HE TYR 107 7.644 0.271 -6.103 655 HE2 TYR 107 2HE TYR 107 8.416 -3.166 -8.599 656 HH TYR 107 HH TYR 107 6.546 -0.208 -8.246 657 H GLY 108 H GLY 108 12.080 -2.442 -1.295 658 HA2 GLY 108 1HA GLY 108 13.030 -5.268 -0.898 659 HA3 GLY 108 2HA GLY 108 13.729 -3.852 -0.116 660 HA PRO 109 HA PRO 109 10.617 -4.682 3.030 661 HB3 PRO 109 2HB PRO 109 11.948 -3.568 4.511 662 HG3 PRO 109 2HG PRO 109 13.203 -1.627 3.890 663 HD3 PRO 109 2HD PRO 109 13.765 -3.323 2.337 664 H ALA 110 H ALA 110 8.469 -4.247 3.433 665 HA ALA 110 HA ALA 110 7.052 -2.309 1.666 666 HB1 ALA 110 1HB ALA 110 7.026 -4.485 0.542 667 HB2 ALA 110 2HB ALA 110 6.518 -5.293 2.041 668 HB3 ALA 110 3HB ALA 110 5.414 -4.162 1.242 669 H THR 111 H THR 111 6.057 -0.962 3.090 670 HA THR 111 HA THR 111 5.313 -1.688 5.758 671 HB THR 111 HB THR 111 4.160 0.592 4.101 672 HG1 THR 111 1HG THR 111 5.981 1.756 5.098 673 HG21 THR 111 3HG2 THR 111 4.845 0.318 7.064 674 HG22 THR 111 1HG2 THR 111 3.215 0.146 6.388 675 HG23 THR 111 2HG2 THR 111 4.047 1.706 6.282 676 H GLN 112 H GLN 112 3.590 -2.939 6.353 677 HA GLN 112 HA GLN 112 1.200 -3.106 4.585 678 HB3 GLN 112 2HB GLN 112 2.000 -4.699 7.056 679 HG3 GLN 112 2HG GLN 112 -0.066 -5.647 5.101 680 HE21 GLN 112 1HE2 GLN 112 1.018 -7.620 6.248 681 HE22 GLN 112 2HE2 GLN 112 0.320 -8.043 7.797 682 H VAL 113 H VAL 113 0.401 -0.961 5.024 683 HA VAL 113 HA VAL 113 -0.119 -0.268 7.844 684 HB VAL 113 HB VAL 113 -1.181 1.736 6.938 685 HG11 VAL 113 1HG1 VAL 113 1.374 1.603 7.048 686 HG12 VAL 113 2HG1 VAL 113 1.321 1.295 5.280 687 HG13 VAL 113 3HG1 VAL 113 0.681 2.807 5.943 688 HG21 VAL 113 3HG2 VAL 113 -1.380 2.273 4.614 689 HG22 VAL 113 1HG2 VAL 113 -0.619 0.742 4.159 690 HG23 VAL 113 2HG2 VAL 113 -2.235 0.760 4.909 691 H ARG 114 H ARG 114 -2.406 0.412 8.340 692 HA ARG 114 HA ARG 114 -4.452 -1.155 6.932 693 HB3 ARG 114 2HB ARG 114 -3.900 -2.669 8.666 694 HG3 ARG 114 2HG ARG 114 -4.506 -1.808 11.124 695 HD3 ARG 114 2HD ARG 114 -1.906 -1.707 9.608 696 HE ARG 114 HE ARG 114 -0.900 -0.744 11.314 697 HH11 ARG 114 1HH1 ARG 114 -3.586 -2.608 12.733 698 HH12 ARG 114 2HH1 ARG 114 -3.259 -2.156 14.369 699 HH21 ARG 114 1HH2 ARG 114 -0.130 -0.639 13.412 700 HH22 ARG 114 2HH2 ARG 114 -1.053 -1.116 14.783 701 H TRP 115 H TRP 115 -6.039 0.090 6.422 702 HA TRP 115 HA TRP 115 -6.265 2.821 7.472 703 HB3 TRP 115 2HB TRP 115 -7.715 1.270 5.311 704 HD1 TRP 115 HD TRP 115 -7.741 4.615 7.189 705 HE1 TRP 115 1HE TRP 115 -9.759 5.956 6.459 706 HE3 TRP 115 3HE TRP 115 -9.202 1.775 3.175 707 HZ2 TRP 115 2HZ TRP 115 -11.922 5.674 4.600 708 HZ3 TRP 115 3HZ TRP 115 -11.273 2.357 1.933 709 HH2 TRP 115 HH TRP 115 -12.656 4.278 2.637 710 H LEU 116 H LEU 116 -6.857 2.408 9.633 711 HA LEU 116 HA LEU 116 -9.064 0.703 10.365 712 HB3 LEU 116 2HB LEU 116 -8.815 1.771 12.553 713 HG LEU 116 HG LEU 116 -6.241 0.767 11.281 714 HD11 LEU 116 1HD1 LEU 116 -5.288 0.641 13.533 715 HD12 LEU 116 2HD1 LEU 116 -6.743 1.403 14.217 716 HD13 LEU 116 3HD1 LEU 116 -5.678 2.326 13.130 717 HD21 LEU 116 3HD2 LEU 116 -8.021 -0.461 13.433 718 HD22 LEU 116 1HD2 LEU 116 -6.639 -1.225 12.613 719 HD23 LEU 116 2HD2 LEU 116 -8.129 -0.890 11.722 720 H GLN 117 H GLN 117 -9.451 3.501 8.690 721 HA GLN 117 HA GLN 117 -12.023 4.054 10.084 722 HB3 GLN 117 2HB GLN 117 -11.950 6.360 9.420 723 HG3 GLN 117 2HG GLN 117 -9.372 5.774 10.929 724 HE21 GLN 117 1HE2 GLN 117 -11.055 8.197 9.556 725 HE22 GLN 117 2HE2 GLN 117 -11.152 9.372 10.811 726 H GLU 118 H GLU 118 -11.476 2.038 8.310 727 HA GLU 118 HA GLU 118 -12.613 2.635 5.704 728 HB3 GLU 118 2HB GLU 118 -13.187 -0.045 6.843 729 HG3 GLU 118 2HG GLU 118 -11.844 -0.894 5.064 730 H THR 119 H THR 119 -14.620 3.730 5.713 731 HA THR 119 HA THR 119 -16.774 2.542 7.354 732 HB THR 119 HB THR 119 -17.692 4.698 7.874 733 HG1 THR 119 1HG THR 119 -15.977 6.524 7.438 734 HG21 THR 119 3HG2 THR 119 -14.761 4.786 8.687 735 HG22 THR 119 1HG2 THR 119 -15.986 3.753 9.448 736 HG23 THR 119 2HG2 THR 119 -16.139 5.514 9.527 737 H SER 120 H SER 120 -18.769 2.473 6.291 738 HA SER 120 HA SER 120 -20.164 2.249 4.555 739 HB3 SER 120 2HB SER 120 -18.910 4.647 3.202 740 HG SER 120 HG SER 120 -21.581 4.596 3.566 741 H LYS 121 H LYS 121 -20.198 2.214 1.995 742 HA LYS 121 HA LYS 121 -17.628 2.217 0.739 743 HB3 LYS 121 2HB LYS 121 -17.609 -0.150 1.278 744 HG3 LYS 121 2HG LYS 121 -20.402 -0.098 0.380 745 HD3 LYS 121 2HD LYS 121 -18.565 -2.225 -0.793 746 HE3 LYS 121 2HE LYS 121 -21.566 -1.752 -0.869 747 HZ1 LYS 121 3HZ LYS 121 -19.991 -3.679 -2.434 748 HZ2 LYS 121 1HZ LYS 121 -20.816 -2.400 -3.042 749 HZ3 LYS 121 2HZ LYS 121 -21.647 -3.612 -2.361 750 H ASP 122 H ASP 122 -20.631 3.278 0.889 751 HA ASP 122 HA ASP 122 -21.594 3.258 -1.812 752 HB3 ASP 122 2HB ASP 122 -22.059 5.307 0.392 753 H SER 123 H SER 123 -21.574 5.248 -3.121 754 HA SER 123 HA SER 123 -19.101 6.902 -2.939 755 HB3 SER 123 2HB SER 123 -19.743 4.736 -4.958 756 HG SER 123 HG SER 123 -17.858 6.833 -5.356 757 H SER 124 H SER 124 -22.194 6.154 -4.617 758 HA SER 124 HA SER 124 -23.525 7.248 -5.968 759 HB3 SER 124 2HB SER 124 -23.799 9.721 -5.810 760 HG SER 124 HG SER 124 -24.592 9.680 -3.795 761 H GLY 125 H GLY 125 -20.167 7.449 -6.506 762 HA2 GLY 125 1HA GLY 125 -20.234 9.287 -8.748 763 HA3 GLY 125 2HA GLY 125 -18.903 8.210 -8.267 764 H THR 126 H THR 126 -19.555 8.601 -10.908 765 HA THR 126 HA THR 126 -20.450 5.930 -11.785 766 HB THR 126 HB THR 126 -20.873 7.730 -13.367 767 HG1 THR 126 1HG THR 126 -18.837 5.883 -13.893 768 HG21 THR 126 3HG2 THR 126 -17.876 8.271 -13.349 769 HG22 THR 126 1HG2 THR 126 -19.147 9.373 -12.763 770 HG23 THR 126 2HG2 THR 126 -19.063 8.954 -14.475 Start of MODEL 7 1 H1 GLY 1 H GLY 1 30.183 -3.810 5.475 2 HA2 GLY 1 1HA GLY 1 28.315 -2.274 5.921 3 HA3 GLY 1 2HA GLY 1 28.137 -2.098 4.166 4 H CYS 2 H CYS 2 26.115 -2.975 4.029 5 HA CYS 2 HA CYS 2 24.414 -4.428 4.068 6 HB3 CYS 2 2HB CYS 2 24.884 -6.554 3.011 7 HG CYS 2 HG CYS 2 26.014 -5.930 0.839 8 H LEU 3 H LEU 3 24.853 -3.882 6.613 9 HA LEU 3 HA LEU 3 24.772 -6.385 8.185 10 HB3 LEU 3 2HB LEU 3 23.508 -4.680 9.780 11 HG LEU 3 HG LEU 3 25.732 -5.788 10.197 12 HD11 LEU 3 1HD1 LEU 3 27.069 -4.812 8.361 13 HD12 LEU 3 2HD1 LEU 3 27.773 -4.436 9.935 14 HD13 LEU 3 3HD1 LEU 3 26.849 -3.186 9.062 15 HD21 LEU 3 3HD2 LEU 3 26.397 -4.168 11.921 16 HD22 LEU 3 1HD2 LEU 3 24.645 -4.362 11.854 17 HD23 LEU 3 2HD2 LEU 3 25.399 -2.914 11.146 18 HA PRO 4 HA PRO 4 21.023 -7.461 6.507 19 HB3 PRO 4 2HB PRO 4 21.433 -9.455 7.596 20 HG3 PRO 4 2HG PRO 4 21.908 -9.518 9.965 21 HD3 PRO 4 2HD PRO 4 23.554 -8.235 8.786 22 H GLY 5 H GLY 5 18.679 -7.509 6.483 23 HA2 GLY 5 1HA GLY 5 16.567 -6.678 6.793 24 HA3 GLY 5 2HA GLY 5 17.075 -5.856 8.276 25 H PHE 6 H PHE 6 15.456 -4.749 6.129 26 HA PHE 6 HA PHE 6 17.164 -2.625 4.942 27 HB3 PHE 6 2HB PHE 6 14.963 -2.324 3.513 28 HD1 PHE 6 2HD PHE 6 17.970 -4.555 3.877 29 HD2 PHE 6 1HD PHE 6 15.088 -2.785 1.191 30 HE1 PHE 6 2HE PHE 6 19.521 -4.865 2.081 31 HE2 PHE 6 1HE PHE 6 16.657 -3.197 -0.693 32 HZ PHE 6 HZ PHE 6 18.865 -4.264 -0.277 33 HA PRO 7 HA PRO 7 15.012 -0.988 8.606 34 HB3 PRO 7 2HB PRO 7 17.202 -0.982 9.468 35 HG3 PRO 7 2HG PRO 7 19.058 -0.208 8.164 36 HD3 PRO 7 2HD PRO 7 18.195 -1.933 6.826 37 H GLY 8 H GLY 8 13.511 -0.241 6.623 38 HA2 GLY 8 1HA GLY 8 13.068 2.588 7.125 39 HA3 GLY 8 2HA GLY 8 13.524 2.216 5.448 40 H ALA 9 H ALA 9 11.129 3.365 5.999 41 HA ALA 9 HA ALA 9 9.375 1.764 4.531 42 HB1 ALA 9 1HB ALA 9 7.608 1.353 6.089 43 HB2 ALA 9 2HB ALA 9 9.037 0.768 6.902 44 HB3 ALA 9 3HB ALA 9 8.362 2.354 7.355 45 HA PRO 10 HA PRO 10 8.132 6.080 3.949 46 HB3 PRO 10 2HB PRO 10 6.923 5.387 2.129 47 HG3 PRO 10 2HG PRO 10 5.631 3.439 2.094 48 HD3 PRO 10 2HD PRO 10 7.816 2.856 2.707 49 H CYS 11 H CYS 11 6.726 7.935 4.887 50 HA CYS 11 HA CYS 11 5.617 7.140 7.532 51 HB3 CYS 11 2HB CYS 11 6.720 9.239 8.398 52 HG CYS 11 HG CYS 11 9.201 8.556 8.645 53 H ALA 12 H ALA 12 4.670 9.261 8.484 54 HA ALA 12 HA ALA 12 3.029 10.711 8.614 55 HB1 ALA 12 1HB ALA 12 3.258 12.655 7.238 56 HB2 ALA 12 2HB ALA 12 4.861 12.014 7.579 57 HB3 ALA 12 3HB ALA 12 4.113 11.742 5.984 58 H ILE 13 H ILE 13 2.186 8.206 7.231 59 HA ILE 13 HA ILE 13 0.813 8.847 4.856 60 HB ILE 13 HB ILE 13 0.376 6.450 6.665 61 HG13 ILE 13 2HG1 ILE 13 2.469 7.168 4.659 62 HG21 ILE 13 1HG2 ILE 13 -0.550 5.348 4.618 63 HG22 ILE 13 2HG2 ILE 13 -1.534 6.732 5.091 64 HG23 ILE 13 3HG2 ILE 13 -0.405 6.874 3.741 65 HD11 ILE 13 3HD1 ILE 13 3.256 6.509 6.816 66 HD12 ILE 13 1HD1 ILE 13 2.208 5.081 6.841 67 HD13 ILE 13 2HD1 ILE 13 3.583 5.147 5.720 68 H LYS 14 H LYS 14 -1.075 9.653 4.395 69 HA LYS 14 HA LYS 14 -3.135 10.037 6.545 70 HB3 LYS 14 2HB LYS 14 -3.747 12.119 5.149 71 HG3 LYS 14 2HG LYS 14 -1.553 13.354 5.947 72 HD3 LYS 14 2HD LYS 14 -3.609 12.116 7.777 73 HE3 LYS 14 2HE LYS 14 -1.451 14.175 8.356 74 HZ1 LYS 14 3HZ LYS 14 -3.912 13.586 9.909 75 HZ2 LYS 14 1HZ LYS 14 -3.386 15.064 9.322 76 HZ3 LYS 14 2HZ LYS 14 -2.596 14.298 10.543 77 H ILE 15 H ILE 15 -5.211 9.679 5.935 78 HA ILE 15 HA ILE 15 -5.849 8.751 3.213 79 HB ILE 15 HB ILE 15 -6.374 7.092 5.723 80 HG13 ILE 15 2HG1 ILE 15 -3.963 7.027 4.955 81 HG21 ILE 15 1HG2 ILE 15 -7.157 5.372 4.053 82 HG22 ILE 15 2HG2 ILE 15 -8.129 6.823 4.148 83 HG23 ILE 15 3HG2 ILE 15 -6.993 6.605 2.787 84 HD11 ILE 15 3HD1 ILE 15 -5.290 4.326 4.672 85 HD12 ILE 15 1HD1 ILE 15 -3.663 4.707 5.249 86 HD13 ILE 15 2HD1 ILE 15 -5.063 5.149 6.237 87 H SER 16 H SER 16 -7.768 9.565 2.697 88 HA SER 16 HA SER 16 -9.834 10.298 4.726 89 HB3 SER 16 2HB SER 16 -10.062 12.581 3.728 90 HG SER 16 HG SER 16 -7.725 13.192 4.491 91 H LYS 17 H LYS 17 -11.900 10.470 3.894 92 HA LYS 17 HA LYS 17 -12.318 8.901 1.465 93 HB3 LYS 17 2HB LYS 17 -14.200 10.126 3.518 94 HG3 LYS 17 2HG LYS 17 -14.571 8.000 1.359 95 HD3 LYS 17 2HD LYS 17 -15.332 7.279 3.748 96 HE3 LYS 17 2HE LYS 17 -16.672 9.608 3.913 97 HZ1 LYS 17 3HZ LYS 17 -18.136 9.034 1.993 98 HZ2 LYS 17 1HZ LYS 17 -18.930 9.276 3.401 99 HZ3 LYS 17 2HZ LYS 17 -18.699 7.740 2.846 100 H SER 18 H SER 18 -13.645 9.527 -0.279 101 HA SER 18 HA SER 18 -14.610 12.200 -0.671 102 HB3 SER 18 2HB SER 18 -12.931 12.934 -1.936 103 HG SER 18 HG SER 18 -11.854 10.318 -1.994 104 HA PRO 19 HA PRO 19 -17.621 9.675 -2.711 105 HB3 PRO 19 2HB PRO 19 -18.807 11.581 -3.228 106 HG3 PRO 19 2HG PRO 19 -17.711 13.519 -4.116 107 HD3 PRO 19 2HD PRO 19 -16.695 12.935 -2.081 108 H ASP 20 H ASP 20 -14.948 10.679 -4.858 109 HA ASP 20 HA ASP 20 -15.553 8.671 -6.904 110 HB3 ASP 20 2HB ASP 20 -13.187 9.568 -7.694 111 H GLY 21 H GLY 21 -13.944 8.596 -3.865 112 HA2 GLY 21 1HA GLY 21 -12.674 6.200 -3.783 113 HA3 GLY 21 2HA GLY 21 -11.622 7.199 -4.821 114 H ALA 22 H ALA 22 -10.057 6.961 -3.085 115 HA ALA 22 HA ALA 22 -10.591 8.609 -0.627 116 HB1 ALA 22 1HB ALA 22 -10.093 6.291 -0.085 117 HB2 ALA 22 2HB ALA 22 -8.713 6.328 -1.235 118 HB3 ALA 22 3HB ALA 22 -8.625 7.265 0.250 119 H HIS 23 H HIS 23 -9.040 10.127 -0.022 120 HA HIS 23 HA HIS 23 -6.812 10.874 -1.856 121 HB3 HIS 23 2HB HIS 23 -6.353 12.242 0.428 122 HD1 HIS 23 1HD HIS 23 -5.686 14.394 -0.767 123 HD2 HIS 23 2HD HIS 23 -9.482 12.867 -1.881 124 HE1 HIS 23 1HE HIS 23 -6.672 16.040 -2.401 125 H LEU 24 H LEU 24 -4.748 10.065 -1.466 126 HA LEU 24 HA LEU 24 -4.109 8.884 1.156 127 HB3 LEU 24 2HB LEU 24 -2.711 7.266 -0.012 128 HG LEU 24 HG LEU 24 -5.069 6.568 0.736 129 HD11 LEU 24 1HD1 LEU 24 -5.448 6.484 -2.298 130 HD12 LEU 24 2HD1 LEU 24 -6.404 7.439 -1.152 131 HD13 LEU 24 3HD1 LEU 24 -6.489 5.685 -1.109 132 HD21 LEU 24 3HD2 LEU 24 -3.650 4.985 -1.457 133 HD22 LEU 24 1HD2 LEU 24 -4.763 4.323 -0.239 134 HD23 LEU 24 2HD2 LEU 24 -3.202 4.987 0.254 135 H THR 25 H THR 25 -2.008 9.633 1.838 136 HA THR 25 HA THR 25 -0.119 10.410 -0.238 137 HB THR 25 HB THR 25 0.497 12.521 0.672 138 HG1 THR 25 1HG THR 25 0.237 12.712 2.673 139 HG21 THR 25 3HG2 THR 25 -2.535 12.613 0.557 140 HG22 THR 25 1HG2 THR 25 -1.443 12.697 -0.856 141 HG23 THR 25 2HG2 THR 25 -1.415 13.976 0.371 142 H TRP 26 H TRP 26 2.128 10.741 0.802 143 HA TRP 26 HA TRP 26 2.640 9.696 3.429 144 HB3 TRP 26 2HB TRP 26 2.417 7.561 2.504 145 HD1 TRP 26 HD TRP 26 4.946 8.533 -0.342 146 HE1 TRP 26 1HE TRP 26 4.112 7.467 -2.440 147 HE3 TRP 26 3HE TRP 26 0.396 6.949 1.375 148 HZ2 TRP 26 2HZ TRP 26 1.585 6.240 -3.394 149 HZ3 TRP 26 3HZ TRP 26 -1.195 5.858 -0.162 150 HH2 TRP 26 HH TRP 26 -0.699 5.656 -2.551 151 H GLU 27 H GLU 27 5.173 9.458 3.594 152 HA GLU 27 HA GLU 27 6.562 11.379 1.796 153 HB3 GLU 27 2HB GLU 27 5.570 12.215 4.049 154 HG3 GLU 27 2HG GLU 27 8.026 10.882 5.115 155 HA PRO 28 HA PRO 28 9.719 8.520 1.515 156 HB3 PRO 28 2HB PRO 28 10.762 10.045 0.115 157 HG3 PRO 28 2HG PRO 28 11.017 12.344 0.748 158 HD3 PRO 28 2HD PRO 28 8.721 11.784 0.842 159 HA PRO 29 HA PRO 29 11.872 7.236 5.201 160 HB3 PRO 29 2HB PRO 29 12.761 5.406 4.110 161 HG3 PRO 29 2HG PRO 29 13.525 5.583 1.852 162 HD3 PRO 29 2HD PRO 29 11.316 6.438 1.877 163 H SER 30 H SER 30 13.802 7.649 6.586 164 HA SER 30 HA SER 30 15.385 10.062 5.959 165 HB3 SER 30 2HB SER 30 13.858 9.729 8.566 166 HG SER 30 HG SER 30 14.058 12.073 8.450 167 H VAL 31 H VAL 31 15.905 7.131 6.117 168 HA VAL 31 HA VAL 31 18.169 7.221 7.970 169 HB VAL 31 HB VAL 31 16.067 5.040 8.154 170 HG11 VAL 31 1HG1 VAL 31 17.582 3.947 9.783 171 HG12 VAL 31 2HG1 VAL 31 18.197 3.905 8.140 172 HG13 VAL 31 3HG1 VAL 31 18.874 5.071 9.300 173 HG21 VAL 31 3HG2 VAL 31 17.217 6.930 10.241 174 HG22 VAL 31 1HG2 VAL 31 15.566 6.963 9.583 175 HG23 VAL 31 2HG2 VAL 31 16.088 5.600 10.568 176 H THR 32 H THR 32 16.434 5.039 5.595 177 HA THR 32 HA THR 32 19.008 4.840 4.124 178 HB THR 32 HB THR 32 18.106 2.564 3.425 179 HG1 THR 32 1HG THR 32 16.110 2.426 4.332 180 HG21 THR 32 3HG2 THR 32 19.048 2.914 6.295 181 HG22 THR 32 1HG2 THR 32 20.098 2.926 4.876 182 HG23 THR 32 2HG2 THR 32 19.204 1.460 5.292 183 H SER 33 H SER 33 18.747 6.268 2.559 184 HA SER 33 HA SER 33 16.332 6.788 1.127 185 HB3 SER 33 2HB SER 33 17.960 7.861 -0.492 186 HG SER 33 HG SER 33 18.931 9.161 1.383 187 H GLY 34 H GLY 34 19.262 5.182 -0.352 188 HA2 GLY 34 1HA GLY 34 19.289 3.102 -1.394 189 HA3 GLY 34 2HA GLY 34 17.524 2.993 -1.275 190 H LYS 35 H LYS 35 18.192 5.907 -2.564 191 HA LYS 35 HA LYS 35 17.879 7.024 -4.385 192 HB3 LYS 35 2HB LYS 35 18.471 5.562 -6.573 193 HG3 LYS 35 2HG LYS 35 20.590 6.646 -4.671 194 HD3 LYS 35 2HD LYS 35 21.179 5.440 -6.849 195 HE3 LYS 35 2HE LYS 35 20.138 8.082 -8.014 196 HZ1 LYS 35 3HZ LYS 35 20.559 7.055 -10.122 197 HZ2 LYS 35 1HZ LYS 35 21.162 5.699 -9.463 198 HZ3 LYS 35 2HZ LYS 35 21.983 7.112 -9.293 199 H ILE 36 H ILE 36 15.732 7.182 -3.880 200 HA ILE 36 HA ILE 36 13.679 5.405 -4.803 201 HB ILE 36 HB ILE 36 13.704 8.340 -4.016 202 HG13 ILE 36 2HG1 ILE 36 12.583 5.797 -2.752 203 HG21 ILE 36 1HG2 ILE 36 11.233 8.287 -4.072 204 HG22 ILE 36 2HG2 ILE 36 11.894 8.069 -5.684 205 HG23 ILE 36 3HG2 ILE 36 11.269 6.664 -4.790 206 HD11 ILE 36 3HD1 ILE 36 13.855 6.531 -0.727 207 HD12 ILE 36 1HD1 ILE 36 14.897 6.064 -2.069 208 HD13 ILE 36 2HD1 ILE 36 14.628 7.788 -1.712 209 H ILE 37 H ILE 37 12.799 5.192 -6.769 210 HA ILE 37 HA ILE 37 13.301 7.191 -8.884 211 HB ILE 37 HB ILE 37 13.427 5.190 -10.436 212 HG13 ILE 37 2HG1 ILE 37 12.650 3.513 -8.739 213 HG21 ILE 37 1HG2 ILE 37 15.852 5.001 -10.182 214 HG22 ILE 37 2HG2 ILE 37 15.357 6.648 -9.795 215 HG23 ILE 37 3HG2 ILE 37 15.747 5.514 -8.483 216 HD11 ILE 37 3HD1 ILE 37 14.135 1.669 -9.379 217 HD12 ILE 37 1HD1 ILE 37 13.607 2.633 -10.768 218 HD13 ILE 37 2HD1 ILE 37 15.259 2.819 -10.118 219 H GLU 38 H GLU 38 11.055 5.140 -7.174 220 HA GLU 38 HA GLU 38 8.886 6.551 -8.356 221 HB3 GLU 38 2HB GLU 38 8.559 3.576 -8.817 222 HG3 GLU 38 2HG GLU 38 6.714 5.314 -9.196 223 H TYR 39 H TYR 39 6.770 4.781 -7.551 224 HA TYR 39 HA TYR 39 7.343 3.755 -4.877 225 HB3 TYR 39 2HB TYR 39 4.905 5.110 -4.542 226 HD1 TYR 39 1HD TYR 39 8.034 7.120 -4.402 227 HD2 TYR 39 2HD TYR 39 5.539 4.259 -2.386 228 HE1 TYR 39 1HE TYR 39 9.264 7.551 -2.256 229 HE2 TYR 39 2HE TYR 39 6.672 4.768 -0.228 230 HH TYR 39 HH TYR 39 7.946 6.949 0.593 231 H SER 40 H SER 40 5.226 2.587 -4.050 232 HA SER 40 HA SER 40 3.375 1.840 -6.200 233 HB3 SER 40 2HB SER 40 4.767 -0.091 -6.312 234 HG SER 40 HG SER 40 6.027 0.116 -4.527 235 H VAL 41 H VAL 41 1.529 0.647 -5.293 236 HA VAL 41 HA VAL 41 0.770 1.124 -2.536 237 HB VAL 41 HB VAL 41 -0.988 2.036 -4.865 238 HG11 VAL 41 1HG1 VAL 41 -1.109 2.642 -1.869 239 HG12 VAL 41 2HG1 VAL 41 -2.296 3.136 -3.105 240 HG13 VAL 41 3HG1 VAL 41 -2.103 1.422 -2.707 241 HG21 VAL 41 3HG2 VAL 41 -0.529 4.370 -4.268 242 HG22 VAL 41 1HG2 VAL 41 0.761 3.816 -3.154 243 HG23 VAL 41 2HG2 VAL 41 0.900 3.592 -4.907 244 H TYR 42 H TYR 42 -0.149 -0.822 -1.982 245 HA TYR 42 HA TYR 42 -1.406 -2.489 -4.113 246 HB3 TYR 42 2HB TYR 42 -0.516 -4.465 -3.023 247 HD1 TYR 42 2HD TYR 42 0.321 -4.598 -5.390 248 HD2 TYR 42 1HD TYR 42 2.485 -2.506 -2.274 249 HE1 TYR 42 2HE TYR 42 2.387 -4.694 -6.741 250 HE2 TYR 42 1HE TYR 42 4.535 -2.646 -3.591 251 HH TYR 42 HH TYR 42 5.535 -3.576 -5.478 252 H LEU 43 H LEU 43 -3.355 -3.309 -3.523 253 HA LEU 43 HA LEU 43 -4.433 -2.714 -0.805 254 HB3 LEU 43 2HB LEU 43 -5.599 -2.401 -3.604 255 HG LEU 43 HG LEU 43 -7.352 -3.344 -2.088 256 HD11 LEU 43 1HD1 LEU 43 -8.174 -1.858 -0.250 257 HD12 LEU 43 2HD1 LEU 43 -6.750 -0.830 -0.459 258 HD13 LEU 43 3HD1 LEU 43 -6.579 -2.512 0.084 259 HD21 LEU 43 3HD2 LEU 43 -8.963 -1.379 -2.411 260 HD22 LEU 43 1HD2 LEU 43 -8.146 -2.025 -3.844 261 HD23 LEU 43 2HD2 LEU 43 -7.584 -0.517 -3.098 262 H ALA 44 H ALA 44 -5.081 -4.592 0.191 263 HA ALA 44 HA ALA 44 -5.252 -7.128 -1.240 264 HB1 ALA 44 1HB ALA 44 -6.064 -7.958 0.942 265 HB2 ALA 44 2HB ALA 44 -4.593 -6.997 1.168 266 HB3 ALA 44 3HB ALA 44 -6.169 -6.288 1.552 267 H ILE 45 H ILE 45 -7.251 -8.258 -1.683 268 HA ILE 45 HA ILE 45 -9.754 -6.804 -1.578 269 HB ILE 45 HB ILE 45 -10.314 -7.044 -3.890 270 HG13 ILE 45 2HG1 ILE 45 -8.703 -7.738 -5.637 271 HG21 ILE 45 1HG2 ILE 45 -7.610 -5.681 -3.768 272 HG22 ILE 45 2HG2 ILE 45 -8.903 -5.442 -4.960 273 HG23 ILE 45 3HG2 ILE 45 -9.167 -4.983 -3.270 274 HD11 ILE 45 3HD1 ILE 45 -6.870 -9.222 -5.182 275 HD12 ILE 45 1HD1 ILE 45 -6.527 -7.697 -4.347 276 HD13 ILE 45 2HD1 ILE 45 -7.099 -9.134 -3.451 277 H GLN 46 H GLN 46 -11.453 -8.600 -2.686 278 HA GLN 46 HA GLN 46 -11.273 -10.965 -1.063 279 HB3 GLN 46 2HB GLN 46 -12.899 -11.696 -3.199 280 HG3 GLN 46 2HG GLN 46 -14.780 -10.624 -1.854 281 HE21 GLN 46 1HE2 GLN 46 -15.896 -12.262 -0.841 282 HE22 GLN 46 2HE2 GLN 46 -15.149 -13.462 0.185 283 H SER 47 H SER 47 -10.394 -12.855 -1.404 284 HA SER 47 HA SER 47 -9.307 -14.609 -2.232 285 HB3 SER 47 2HB SER 47 -9.396 -15.136 -4.573 286 HG SER 47 HG SER 47 -11.634 -14.599 -5.008 287 H SER 48 H SER 48 -7.293 -15.352 -3.431 288 HA SER 48 HA SER 48 -5.267 -13.236 -3.810 289 HB3 SER 48 2HB SER 48 -4.746 -13.846 -1.659 290 HG SER 48 HG SER 48 -4.405 -16.170 -1.172 291 H GLN 49 H GLN 49 -4.587 -13.432 -5.796 292 HA GLN 49 HA GLN 49 -3.768 -16.013 -6.916 293 HB3 GLN 49 2HB GLN 49 -5.300 -14.977 -9.049 294 HG3 GLN 49 2HG GLN 49 -7.003 -16.815 -8.037 295 HE21 GLN 49 1HE2 GLN 49 -3.898 -18.327 -8.361 296 HE22 GLN 49 2HE2 GLN 49 -4.026 -18.785 -10.024 297 H ALA 50 H ALA 50 -1.861 -14.722 -6.355 298 HA ALA 50 HA ALA 50 -0.783 -13.576 -8.788 299 HB1 ALA 50 1HB ALA 50 -0.847 -11.830 -6.287 300 HB2 ALA 50 2HB ALA 50 -0.129 -11.417 -7.838 301 HB3 ALA 50 3HB ALA 50 -1.879 -11.569 -7.705 302 H SER 51 H SER 51 1.559 -13.415 -8.685 303 HA SER 51 HA SER 51 3.007 -13.938 -6.261 304 HB3 SER 51 2HB SER 51 4.457 -15.513 -8.054 305 HG SER 51 HG SER 51 4.423 -16.325 -6.127 306 H GLY 52 H GLY 52 4.586 -12.505 -6.343 307 HA2 GLY 52 1HA GLY 52 6.087 -11.495 -8.417 308 HA3 GLY 52 2HA GLY 52 4.649 -10.444 -8.316 309 H GLU 53 H GLU 53 7.758 -10.719 -7.196 310 HA GLU 53 HA GLU 53 7.277 -9.399 -4.618 311 HB3 GLU 53 2HB GLU 53 7.517 -11.491 -3.819 312 HG3 GLU 53 2HG GLU 53 9.578 -12.947 -4.874 313 HA PRO 54 HA PRO 54 10.967 -6.998 -5.417 314 HB3 PRO 54 2HB PRO 54 11.973 -6.388 -3.390 315 HG3 PRO 54 2HG PRO 54 9.676 -6.193 -2.825 316 HD3 PRO 54 2HD PRO 54 8.179 -7.859 -3.333 317 H LYS 55 H LYS 55 13.305 -7.298 -5.779 318 HA LYS 55 HA LYS 55 14.148 -10.064 -6.330 319 HB3 LYS 55 2HB LYS 55 16.189 -7.942 -6.704 320 HG3 LYS 55 2HG LYS 55 14.635 -9.624 -8.720 321 HD3 LYS 55 2HD LYS 55 16.198 -7.712 -9.511 322 HE3 LYS 55 2HE LYS 55 18.091 -8.275 -7.933 323 HZ1 LYS 55 3HZ LYS 55 17.817 -10.813 -9.087 324 HZ2 LYS 55 1HZ LYS 55 18.909 -10.362 -7.935 325 HZ3 LYS 55 2HZ LYS 55 19.272 -10.253 -9.535 326 H SER 56 H SER 56 13.621 -9.249 -3.533 327 HA SER 56 HA SER 56 16.343 -9.321 -2.317 328 HB3 SER 56 2HB SER 56 15.023 -9.050 -0.173 329 HG SER 56 HG SER 56 15.384 -7.060 -0.417 330 H SER 57 H SER 57 13.395 -11.276 -2.688 331 HA SER 57 HA SER 57 12.924 -13.394 -2.265 332 HB3 SER 57 2HB SER 57 14.444 -15.068 -2.313 333 HG SER 57 HG SER 57 15.108 -13.970 -4.095 334 H THR 58 H THR 58 11.568 -12.613 -0.564 335 HA THR 58 HA THR 58 12.603 -13.260 2.116 336 HB THR 58 HB THR 58 12.709 -10.840 1.927 337 HG1 THR 58 1HG THR 58 10.826 -10.528 3.553 338 HG21 THR 58 3HG2 THR 58 10.664 -9.448 1.764 339 HG22 THR 58 1HG2 THR 58 9.715 -10.885 1.334 340 HG23 THR 58 2HG2 THR 58 11.007 -10.307 0.263 341 HA PRO 59 HA PRO 59 8.843 -15.635 2.051 342 HB3 PRO 59 2HB PRO 59 9.788 -17.011 3.601 343 HG3 PRO 59 2HG PRO 59 11.205 -16.176 5.286 344 HD3 PRO 59 2HD PRO 59 12.074 -15.269 3.313 345 H ALA 60 H ALA 60 7.689 -13.778 1.333 346 HA ALA 60 HA ALA 60 5.478 -13.074 3.166 347 HB1 ALA 60 1HB ALA 60 7.036 -11.184 3.345 348 HB2 ALA 60 2HB ALA 60 7.159 -11.109 1.565 349 HB3 ALA 60 3HB ALA 60 5.619 -10.714 2.366 350 H GLN 61 H GLN 61 4.290 -14.591 1.863 351 HA GLN 61 HA GLN 61 4.115 -14.100 -1.072 352 HB3 GLN 61 2HB GLN 61 2.783 -16.208 -1.041 353 HG3 GLN 61 2HG GLN 61 5.585 -16.236 0.163 354 HE21 GLN 61 1HE2 GLN 61 4.738 -18.212 1.379 355 HE22 GLN 61 2HE2 GLN 61 4.635 -19.754 0.555 356 H LEU 62 H LEU 62 2.814 -12.452 -1.449 357 HA LEU 62 HA LEU 62 0.216 -12.280 -0.022 358 HB3 LEU 62 2HB LEU 62 0.369 -10.091 0.467 359 HG LEU 62 HG LEU 62 3.377 -10.583 0.337 360 HD11 LEU 62 1HD1 LEU 62 1.949 -8.373 1.832 361 HD12 LEU 62 2HD1 LEU 62 2.733 -8.172 0.246 362 HD13 LEU 62 3HD1 LEU 62 3.697 -8.629 1.654 363 HD21 LEU 62 3HD2 LEU 62 3.150 -10.700 2.851 364 HD22 LEU 62 1HD2 LEU 62 2.379 -12.025 2.013 365 HD23 LEU 62 2HD2 LEU 62 1.369 -10.716 2.632 366 H ALA 63 H ALA 63 -1.442 -11.399 -1.367 367 HA ALA 63 HA ALA 63 -0.744 -10.903 -4.196 368 HB1 ALA 63 1HB ALA 63 -2.706 -12.306 -4.893 369 HB2 ALA 63 2HB ALA 63 -1.391 -13.244 -4.153 370 HB3 ALA 63 3HB ALA 63 -2.854 -12.861 -3.216 371 H PHE 64 H PHE 64 -1.437 -8.909 -4.534 372 HA PHE 64 HA PHE 64 -3.900 -7.894 -3.255 373 HB3 PHE 64 2HB PHE 64 -2.661 -5.807 -2.748 374 HD1 PHE 64 1HD PHE 64 -3.506 -8.355 -1.022 375 HD2 PHE 64 2HD PHE 64 0.133 -6.072 -1.471 376 HE1 PHE 64 1HE PHE 64 -2.808 -9.022 1.235 377 HE2 PHE 64 2HE PHE 64 0.787 -6.712 0.830 378 HZ PHE 64 HZ PHE 64 -0.642 -8.237 2.154 379 H MET 65 H MET 65 -4.724 -6.086 -4.464 380 HA MET 65 HA MET 65 -4.153 -6.135 -7.320 381 HB3 MET 65 2HB MET 65 -5.966 -4.311 -5.668 382 HG3 MET 65 2HG MET 65 -5.691 -5.011 -8.601 383 HE1 MET 65 3HE MET 65 -9.657 -3.235 -6.968 384 HE2 MET 65 1HE MET 65 -8.210 -3.454 -5.959 385 HE3 MET 65 2HE MET 65 -8.223 -2.233 -7.255 386 H ARG 66 H ARG 66 -2.367 -5.074 -8.060 387 HA ARG 66 HA ARG 66 -1.037 -2.924 -6.614 388 HB3 ARG 66 2HB ARG 66 -0.741 -3.803 -9.529 389 HG3 ARG 66 2HG ARG 66 1.137 -2.351 -7.613 390 HD3 ARG 66 2HD ARG 66 2.200 -4.129 -9.121 391 HE ARG 66 HE ARG 66 1.284 -2.205 -11.198 392 HH11 ARG 66 1HH1 ARG 66 3.414 -4.936 -10.531 393 HH12 ARG 66 2HH1 ARG 66 3.373 -5.581 -12.148 394 HH21 ARG 66 1HH2 ARG 66 1.398 -2.864 -13.398 395 HH22 ARG 66 2HH2 ARG 66 2.316 -4.257 -13.848 396 H VAL 67 H VAL 67 -2.959 -1.626 -6.216 397 HA VAL 67 HA VAL 67 -4.471 -0.451 -8.348 398 HB VAL 67 HB VAL 67 -5.228 1.138 -6.534 399 HG11 VAL 67 1HG1 VAL 67 -6.400 -0.937 -7.095 400 HG12 VAL 67 2HG1 VAL 67 -5.407 -1.842 -5.931 401 HG13 VAL 67 3HG1 VAL 67 -6.523 -0.579 -5.368 402 HG21 VAL 67 3HG2 VAL 67 -3.215 1.104 -5.080 403 HG22 VAL 67 1HG2 VAL 67 -4.676 0.646 -4.203 404 HG23 VAL 67 2HG2 VAL 67 -3.522 -0.606 -4.680 405 H TYR 68 H TYR 68 -1.337 0.299 -7.087 406 HA TYR 68 HA TYR 68 -1.040 2.990 -7.875 407 HB3 TYR 68 2HB TYR 68 0.903 0.651 -7.748 408 HD1 TYR 68 1HD TYR 68 1.129 4.324 -7.326 409 HD2 TYR 68 2HD TYR 68 2.522 0.901 -9.528 410 HE1 TYR 68 1HE TYR 68 2.712 5.768 -8.556 411 HE2 TYR 68 2HE TYR 68 4.110 2.352 -10.784 412 HH TYR 68 HH TYR 68 3.855 5.746 -10.730 413 H CYS 69 H CYS 69 -1.872 3.608 -9.780 414 HA CYS 69 HA CYS 69 -0.200 2.923 -12.108 415 HB3 CYS 69 2HB CYS 69 -2.266 3.205 -13.576 416 HG CYS 69 HG CYS 69 -3.278 0.757 -13.429 417 H GLY 70 H GLY 70 0.959 4.928 -11.839 418 HA2 GLY 70 1HA GLY 70 -0.268 7.206 -12.897 419 HA3 GLY 70 2HA GLY 70 -0.219 7.394 -11.131 420 HA PRO 71 HA PRO 71 3.898 8.075 -13.408 421 HB3 PRO 71 2HB PRO 71 3.091 9.783 -14.795 422 HG3 PRO 71 2HG PRO 71 1.461 11.339 -13.998 423 HD3 PRO 71 2HD PRO 71 0.501 9.224 -13.734 424 H SER 72 H SER 72 2.580 9.327 -10.484 425 HA SER 72 HA SER 72 5.252 9.899 -9.318 426 HB3 SER 72 2HB SER 72 4.233 11.891 -8.272 427 HG SER 72 HG SER 72 4.948 12.316 -10.419 428 HA PRO 73 HA PRO 73 3.677 7.787 -5.602 429 HB3 PRO 73 2HB PRO 73 5.480 8.337 -4.352 430 HG3 PRO 73 2HG PRO 73 6.678 10.324 -4.802 431 HD3 PRO 73 2HD PRO 73 6.400 9.222 -6.888 432 H SER 74 H SER 74 2.272 8.359 -3.565 433 HA SER 74 HA SER 74 0.256 8.854 -2.767 434 HB3 SER 74 2HB SER 74 -0.398 11.177 -2.680 435 HG SER 74 HG SER 74 1.645 12.107 -2.133 436 H CYS 75 H CYS 75 0.139 7.419 -5.163 437 HA CYS 75 HA CYS 75 -1.911 8.495 -6.907 438 HB3 CYS 75 2HB CYS 75 -2.291 6.077 -7.473 439 HG CYS 75 HG CYS 75 -0.675 7.789 -8.793 440 H LEU 76 H LEU 76 -3.962 8.835 -6.393 441 HA LEU 76 HA LEU 76 -5.261 7.844 -4.054 442 HB3 LEU 76 2HB LEU 76 -5.834 9.946 -5.249 443 HG LEU 76 HG LEU 76 -7.345 10.160 -6.950 444 HD11 LEU 76 1HD1 LEU 76 -5.524 8.028 -8.106 445 HD12 LEU 76 2HD1 LEU 76 -5.108 9.744 -7.876 446 HD13 LEU 76 3HD1 LEU 76 -6.412 9.304 -8.973 447 HD21 LEU 76 3HD2 LEU 76 -7.785 7.195 -7.367 448 HD22 LEU 76 1HD2 LEU 76 -8.693 8.568 -8.015 449 HD23 LEU 76 2HD2 LEU 76 -8.797 8.195 -6.303 450 H VAL 77 H VAL 77 -7.508 6.612 -4.386 451 HA VAL 77 HA VAL 77 -7.279 4.460 -6.374 452 HB VAL 77 HB VAL 77 -7.785 3.898 -3.429 453 HG11 VAL 77 1HG1 VAL 77 -7.510 1.500 -4.238 454 HG12 VAL 77 2HG1 VAL 77 -8.933 2.348 -4.830 455 HG13 VAL 77 3HG1 VAL 77 -7.523 2.123 -5.899 456 HG21 VAL 77 3HG2 VAL 77 -5.361 4.391 -3.707 457 HG22 VAL 77 1HG2 VAL 77 -5.666 2.700 -3.329 458 HG23 VAL 77 2HG2 VAL 77 -5.298 3.171 -5.002 459 H GLN 78 H GLN 78 -9.342 3.763 -7.033 460 HA GLN 78 HA GLN 78 -11.445 5.717 -6.628 461 HB3 GLN 78 2HB GLN 78 -12.655 4.356 -8.326 462 HG3 GLN 78 2HG GLN 78 -9.800 4.783 -9.251 463 HE21 GLN 78 1HE2 GLN 78 -11.673 6.833 -10.920 464 HE22 GLN 78 2HE2 GLN 78 -12.307 5.833 -12.196 465 H SER 79 H SER 79 -13.694 5.125 -6.254 466 HA SER 79 HA SER 79 -14.137 3.780 -3.850 467 HB3 SER 79 2HB SER 79 -15.730 5.315 -4.157 468 HG SER 79 HG SER 79 -16.420 6.080 -6.059 469 H SER 80 H SER 80 -14.319 2.423 -7.179 470 HA SER 80 HA SER 80 -15.793 0.082 -6.528 471 HB3 SER 80 2HB SER 80 -15.681 0.442 -8.758 472 HG SER 80 HG SER 80 -13.673 1.164 -9.828 473 H SER 81 H SER 81 -12.288 0.756 -6.630 474 HA SER 81 HA SER 81 -11.469 -1.887 -5.905 475 HB3 SER 81 2HB SER 81 -9.310 -0.825 -5.475 476 HG SER 81 HG SER 81 -10.551 -0.736 -7.739 477 H LEU 82 H LEU 82 -12.346 1.027 -4.006 478 HA LEU 82 HA LEU 82 -11.789 -0.098 -1.421 479 HB3 LEU 82 2HB LEU 82 -13.656 1.621 -0.738 480 HG LEU 82 HG LEU 82 -11.135 2.595 -2.123 481 HD11 LEU 82 1HD1 LEU 82 -11.477 4.669 -0.803 482 HD12 LEU 82 2HD1 LEU 82 -13.044 4.027 -0.213 483 HD13 LEU 82 3HD1 LEU 82 -12.802 4.395 -1.940 484 HD21 LEU 82 3HD2 LEU 82 -10.554 1.160 -0.267 485 HD22 LEU 82 1HD2 LEU 82 -11.837 1.868 0.748 486 HD23 LEU 82 2HD2 LEU 82 -10.390 2.808 0.340 487 H SER 83 H SER 83 -14.657 -0.490 -3.564 488 HA SER 83 HA SER 83 -16.224 -1.841 -1.550 489 HB3 SER 83 2HB SER 83 -17.542 -2.636 -3.373 490 HG SER 83 HG SER 83 -17.857 -0.771 -4.564 491 H ASN 84 H ASN 84 -13.788 -2.936 -3.966 492 HA ASN 84 HA ASN 84 -14.238 -5.742 -3.301 493 HB3 ASN 84 2HB ASN 84 -11.977 -5.973 -4.638 494 HD21 ASN 84 1HD2 ASN 84 -14.442 -3.952 -6.046 495 HD22 ASN 84 2HD2 ASN 84 -15.343 -5.257 -6.856 496 H ALA 85 H ALA 85 -12.298 -3.265 -1.930 497 HA ALA 85 HA ALA 85 -10.029 -4.434 -1.133 498 HB1 ALA 85 1HB ALA 85 -10.628 -2.068 -0.809 499 HB2 ALA 85 2HB ALA 85 -11.735 -2.539 0.506 500 HB3 ALA 85 3HB ALA 85 -9.983 -2.804 0.675 501 H HIS 86 H HIS 86 -9.289 -5.752 0.366 502 HA HIS 86 HA HIS 86 -11.052 -7.554 1.844 503 HB3 HIS 86 2HB HIS 86 -8.064 -7.313 2.268 504 HD1 HIS 86 1HD HIS 86 -9.290 -10.517 0.830 505 HD2 HIS 86 2HD HIS 86 -8.837 -8.674 4.593 506 HE1 HIS 86 1HE HIS 86 -9.575 -12.352 2.579 507 H ILE 87 H ILE 87 -11.720 -7.223 3.856 508 HA ILE 87 HA ILE 87 -10.652 -4.941 5.422 509 HB ILE 87 HB ILE 87 -12.944 -6.815 6.076 510 HG13 ILE 87 2HG1 ILE 87 -14.531 -5.050 5.280 511 HG21 ILE 87 1HG2 ILE 87 -12.317 -4.021 7.097 512 HG22 ILE 87 2HG2 ILE 87 -13.645 -5.078 7.634 513 HG23 ILE 87 3HG2 ILE 87 -11.971 -5.557 7.915 514 HD11 ILE 87 3HD1 ILE 87 -12.927 -3.082 5.135 515 HD12 ILE 87 1HD1 ILE 87 -12.181 -3.870 3.733 516 HD13 ILE 87 2HD1 ILE 87 -13.875 -3.365 3.673 517 H ASP 88 H ASP 88 -9.234 -5.323 6.945 518 HA ASP 88 HA ASP 88 -8.034 -7.873 7.286 519 HB3 ASP 88 2HB ASP 88 -7.886 -5.366 9.023 520 H TYR 89 H TYR 89 -8.695 -9.548 8.509 521 HA TYR 89 HA TYR 89 -10.690 -9.031 10.676 522 HB3 TYR 89 2HB TYR 89 -10.879 -11.705 9.985 523 HD1 TYR 89 2HD TYR 89 -12.026 -8.360 8.552 524 HD2 TYR 89 1HD TYR 89 -13.201 -12.214 10.135 525 HE1 TYR 89 2HE TYR 89 -14.400 -7.732 8.339 526 HE2 TYR 89 1HE TYR 89 -15.564 -11.569 9.944 527 HH TYR 89 HH TYR 89 -17.066 -9.934 9.252 528 H THR 90 H THR 90 -7.561 -9.210 10.502 529 HA THR 90 HA THR 90 -7.063 -11.319 12.472 530 HB THR 90 HB THR 90 -5.224 -9.330 11.027 531 HG1 THR 90 1HG THR 90 -5.215 -10.706 9.445 532 HG21 THR 90 3HG2 THR 90 -3.434 -11.031 11.538 533 HG22 THR 90 1HG2 THR 90 -4.599 -11.851 12.610 534 HG23 THR 90 2HG2 THR 90 -4.056 -10.204 12.973 535 H THR 91 H THR 91 -7.520 -7.836 12.246 536 HA THR 91 HA THR 91 -6.904 -7.490 15.141 537 HB THR 91 HB THR 91 -5.671 -5.420 14.533 538 HG1 THR 91 1HG THR 91 -6.070 -6.373 11.874 539 HG21 THR 91 3HG2 THR 91 -3.580 -6.406 13.888 540 HG22 THR 91 1HG2 THR 91 -4.381 -7.835 13.219 541 HG23 THR 91 2HG2 THR 91 -4.420 -7.530 14.972 542 H LYS 92 H LYS 92 -7.891 -5.348 12.385 543 HA LYS 92 HA LYS 92 -10.232 -4.449 13.951 544 HB3 LYS 92 2HB LYS 92 -8.744 -2.764 14.290 545 HG3 LYS 92 2HG LYS 92 -8.084 -1.775 11.771 546 HD3 LYS 92 2HD LYS 92 -5.685 -2.312 12.463 547 HE3 LYS 92 2HE LYS 92 -7.616 -0.992 14.396 548 HZ1 LYS 92 3HZ LYS 92 -5.663 0.037 15.361 549 HZ2 LYS 92 1HZ LYS 92 -4.678 -1.083 14.654 550 HZ3 LYS 92 2HZ LYS 92 -5.873 -1.508 15.754 551 HA PRO 93 HA PRO 93 -12.037 -4.897 9.865 552 HB3 PRO 93 2HB PRO 93 -14.081 -5.231 10.884 553 HG3 PRO 93 2HG PRO 93 -14.535 -4.238 12.937 554 HD3 PRO 93 2HD PRO 93 -12.282 -4.550 13.627 555 H ALA 94 H ALA 94 -10.233 -3.612 9.354 556 HA ALA 94 HA ALA 94 -10.962 -0.970 8.161 557 HB1 ALA 94 1HB ALA 94 -8.516 -0.435 8.508 558 HB2 ALA 94 2HB ALA 94 -9.432 -0.648 10.024 559 HB3 ALA 94 3HB ALA 94 -8.336 -1.926 9.425 560 H ILE 95 H ILE 95 -9.627 -0.474 6.242 561 HA ILE 95 HA ILE 95 -8.922 -2.848 4.583 562 HB ILE 95 HB ILE 95 -9.133 0.159 4.118 563 HG13 ILE 95 2HG1 ILE 95 -11.138 -1.547 4.117 564 HG21 ILE 95 1HG2 ILE 95 -7.162 -0.485 2.816 565 HG22 ILE 95 2HG2 ILE 95 -8.022 -1.890 2.150 566 HG23 ILE 95 3HG2 ILE 95 -8.508 -0.230 1.729 567 HD11 ILE 95 3HD1 ILE 95 -12.261 -0.655 2.235 568 HD12 ILE 95 1HD1 ILE 95 -11.172 0.640 2.768 569 HD13 ILE 95 2HD1 ILE 95 -10.752 -0.360 1.369 570 H ILE 96 H ILE 96 -6.811 -3.232 3.871 571 HA ILE 96 HA ILE 96 -4.612 -1.844 5.339 572 HB ILE 96 HB ILE 96 -4.759 -4.663 4.175 573 HG13 ILE 96 2HG1 ILE 96 -4.571 -5.499 6.438 574 HG21 ILE 96 1HG2 ILE 96 -2.429 -3.226 5.480 575 HG22 ILE 96 2HG2 ILE 96 -2.513 -4.998 5.298 576 HG23 ILE 96 3HG2 ILE 96 -2.499 -3.966 3.869 577 HD11 ILE 96 3HD1 ILE 96 -4.921 -2.648 7.437 578 HD12 ILE 96 1HD1 ILE 96 -4.936 -4.120 8.418 579 HD13 ILE 96 2HD1 ILE 96 -3.434 -3.612 7.623 580 H PHE 97 H PHE 97 -3.024 -1.015 4.295 581 HA PHE 97 HA PHE 97 -2.841 -1.308 1.333 582 HB3 PHE 97 2HB PHE 97 -1.886 1.000 1.317 583 HD1 PHE 97 1HD PHE 97 -3.762 0.728 -0.370 584 HD2 PHE 97 2HD PHE 97 -4.497 1.754 3.762 585 HE1 PHE 97 1HE PHE 97 -6.030 1.495 -0.963 586 HE2 PHE 97 2HE PHE 97 -6.773 2.537 3.158 587 HZ PHE 97 HZ PHE 97 -7.550 2.372 0.828 588 H ARG 98 H ARG 98 -0.849 -1.836 0.685 589 HA ARG 98 HA ARG 98 1.481 -1.620 2.558 590 HB3 ARG 98 2HB ARG 98 2.553 -2.625 0.307 591 HG3 ARG 98 2HG ARG 98 1.102 -4.701 1.925 592 HD3 ARG 98 2HD ARG 98 3.207 -5.885 1.696 593 HE ARG 98 HE ARG 98 2.057 -4.905 -0.721 594 HH11 ARG 98 1HH1 ARG 98 5.242 -6.140 0.368 595 HH12 ARG 98 2HH1 ARG 98 5.508 -7.007 -1.125 596 HH21 ARG 98 1HH2 ARG 98 2.564 -6.146 -2.751 597 HH22 ARG 98 2HH2 ARG 98 4.082 -6.963 -2.781 598 H ILE 99 H ILE 99 2.765 0.159 2.198 599 HA ILE 99 HA ILE 99 2.929 1.182 -0.601 600 HB ILE 99 HB ILE 99 3.102 2.815 1.958 601 HG13 ILE 99 2HG1 ILE 99 0.675 2.099 0.984 602 HG21 ILE 99 1HG2 ILE 99 3.326 4.783 0.506 603 HG22 ILE 99 2HG2 ILE 99 4.593 3.631 0.092 604 HG23 ILE 99 3HG2 ILE 99 3.169 3.782 -0.945 605 HD11 ILE 99 3HD1 ILE 99 -0.204 4.291 1.727 606 HD12 ILE 99 1HD1 ILE 99 0.882 3.511 2.899 607 HD13 ILE 99 2HD1 ILE 99 1.469 4.863 1.910 608 H ALA 100 H ALA 100 5.097 1.191 -1.305 609 HA ALA 100 HA ALA 100 7.243 1.241 0.687 610 HB1 ALA 100 1HB ALA 100 7.085 -0.903 -1.492 611 HB2 ALA 100 2HB ALA 100 8.503 -0.573 -0.479 612 HB3 ALA 100 3HB ALA 100 7.031 -1.189 0.269 613 H ALA 101 H ALA 101 9.217 2.027 -0.250 614 HA ALA 101 HA ALA 101 8.876 3.843 -2.512 615 HB1 ALA 101 1HB ALA 101 11.269 3.031 -0.805 616 HB2 ALA 101 2HB ALA 101 11.340 4.187 -2.134 617 HB3 ALA 101 3HB ALA 101 10.349 4.550 -0.716 618 H ARG 102 H ARG 102 9.525 3.511 -4.583 619 HA ARG 102 HA ARG 102 10.688 0.881 -5.310 620 HB3 ARG 102 2HB ARG 102 10.070 3.067 -7.258 621 HG3 ARG 102 2HG ARG 102 8.894 0.850 -8.276 622 HD3 ARG 102 2HD ARG 102 11.836 1.301 -8.688 623 HE ARG 102 HE ARG 102 11.113 -0.252 -10.248 624 HH11 ARG 102 1HH1 ARG 102 9.166 2.728 -10.552 625 HH12 ARG 102 2HH1 ARG 102 8.711 2.447 -12.189 626 HH21 ARG 102 1HH2 ARG 102 10.486 -0.603 -12.484 627 HH22 ARG 102 2HH2 ARG 102 9.684 0.697 -13.309 628 H ASN 103 H ASN 103 12.603 1.445 -4.015 629 HA ASN 103 HA ASN 103 14.389 3.525 -5.212 630 HB3 ASN 103 2HB ASN 103 14.210 3.819 -2.883 631 HD21 ASN 103 1HD2 ASN 103 15.835 0.565 -3.005 632 HD22 ASN 103 2HD2 ASN 103 14.710 -0.130 -1.860 633 H GLU 104 H GLU 104 16.621 2.921 -5.508 634 HA GLU 104 HA GLU 104 16.810 0.772 -7.379 635 HB3 GLU 104 2HB GLU 104 19.361 1.302 -7.161 636 HG3 GLU 104 2HG GLU 104 18.863 3.718 -8.045 637 H LYS 105 H LYS 105 17.570 0.896 -3.968 638 HA LYS 105 HA LYS 105 18.938 -1.590 -3.748 639 HB3 LYS 105 2HB LYS 105 17.236 -1.061 -1.443 640 HG3 LYS 105 2HG LYS 105 19.545 -2.125 -1.582 641 HD3 LYS 105 2HD LYS 105 20.417 0.800 -1.552 642 HE3 LYS 105 2HE LYS 105 21.769 -0.879 -0.210 643 HZ1 LYS 105 3HZ LYS 105 22.402 -1.982 -2.900 644 HZ2 LYS 105 1HZ LYS 105 21.798 -2.781 -1.567 645 HZ3 LYS 105 2HZ LYS 105 23.298 -2.217 -1.558 646 H GLY 106 H GLY 106 15.665 -1.088 -4.557 647 HA2 GLY 106 1HA GLY 106 14.339 -2.859 -5.437 648 HA3 GLY 106 2HA GLY 106 15.055 -3.994 -4.292 649 H TYR 107 H TYR 107 12.513 -4.178 -4.217 650 HA TYR 107 HA TYR 107 11.127 -2.049 -2.845 651 HB3 TYR 107 2HB TYR 107 9.336 -4.171 -3.439 652 HD1 TYR 107 1HD TYR 107 9.148 -1.310 -2.857 653 HD2 TYR 107 2HD TYR 107 9.381 -3.443 -6.604 654 HE1 TYR 107 1HE TYR 107 7.869 0.488 -3.979 655 HE2 TYR 107 2HE TYR 107 8.145 -1.583 -7.734 656 HH TYR 107 HH TYR 107 6.811 0.329 -7.378 657 H GLY 108 H GLY 108 12.905 -3.362 -1.051 658 HA2 GLY 108 1HA GLY 108 12.075 -5.750 0.042 659 HA3 GLY 108 2HA GLY 108 13.122 -4.608 0.880 660 HA PRO 109 HA PRO 109 9.843 -4.193 3.783 661 HB3 PRO 109 2HB PRO 109 11.622 -3.170 4.960 662 HG3 PRO 109 2HG PRO 109 12.787 -1.282 4.057 663 HD3 PRO 109 2HD PRO 109 13.132 -2.950 2.450 664 H ALA 110 H ALA 110 7.820 -3.215 4.335 665 HA ALA 110 HA ALA 110 6.916 -0.871 2.732 666 HB1 ALA 110 1HB ALA 110 5.997 -2.947 1.697 667 HB2 ALA 110 2HB ALA 110 5.303 -3.410 3.263 668 HB3 ALA 110 3HB ALA 110 4.721 -1.954 2.430 669 H THR 111 H THR 111 5.236 0.336 3.802 670 HA THR 111 HA THR 111 4.880 -0.156 6.710 671 HB THR 111 HB THR 111 3.691 1.991 4.900 672 HG1 THR 111 1HG THR 111 5.202 3.289 6.241 673 HG21 THR 111 3HG2 THR 111 2.360 1.423 6.958 674 HG22 THR 111 1HG2 THR 111 3.047 3.060 7.017 675 HG23 THR 111 2HG2 THR 111 3.778 1.751 7.933 676 H GLN 112 H GLN 112 3.267 -1.571 7.260 677 HA GLN 112 HA GLN 112 0.936 -1.984 5.476 678 HB3 GLN 112 2HB GLN 112 1.704 -3.144 8.195 679 HG3 GLN 112 2HG GLN 112 -0.321 -4.577 6.633 680 HE21 GLN 112 1HE2 GLN 112 -0.147 -6.201 8.396 681 HE22 GLN 112 2HE2 GLN 112 -0.734 -5.801 9.972 682 H VAL 113 H VAL 113 -0.574 -0.243 5.717 683 HA VAL 113 HA VAL 113 -0.924 0.858 8.456 684 HB VAL 113 HB VAL 113 -1.933 2.757 7.351 685 HG11 VAL 113 1HG1 VAL 113 0.669 2.341 5.882 686 HG12 VAL 113 2HG1 VAL 113 -0.054 3.872 6.372 687 HG13 VAL 113 3HG1 VAL 113 0.587 2.789 7.628 688 HG21 VAL 113 3HG2 VAL 113 -1.865 3.166 4.952 689 HG22 VAL 113 1HG2 VAL 113 -1.126 1.576 4.701 690 HG23 VAL 113 2HG2 VAL 113 -2.807 1.704 5.291 691 H ARG 114 H ARG 114 -3.324 1.551 8.674 692 HA ARG 114 HA ARG 114 -5.150 -0.316 7.391 693 HB3 ARG 114 2HB ARG 114 -4.991 -1.424 9.411 694 HG3 ARG 114 2HG ARG 114 -5.222 -0.067 11.651 695 HD3 ARG 114 2HD ARG 114 -2.926 -0.923 10.059 696 HE ARG 114 HE ARG 114 -2.587 1.479 11.652 697 HH11 ARG 114 1HH1 ARG 114 -0.878 -1.514 10.611 698 HH12 ARG 114 2HH1 ARG 114 0.631 -0.692 10.553 699 HH21 ARG 114 1HH2 ARG 114 -0.628 2.415 11.686 700 HH22 ARG 114 2HH2 ARG 114 0.843 1.551 11.268 701 H TRP 115 H TRP 115 -7.317 0.532 7.229 702 HA TRP 115 HA TRP 115 -7.831 3.263 8.247 703 HB3 TRP 115 2HB TRP 115 -8.654 2.243 5.478 704 HD1 TRP 115 HD TRP 115 -8.348 5.499 7.617 705 HE1 TRP 115 1HE TRP 115 -10.164 7.118 6.866 706 HE3 TRP 115 3HE TRP 115 -10.161 2.820 3.697 707 HZ2 TRP 115 2HZ TRP 115 -12.205 7.225 4.780 708 HZ3 TRP 115 3HZ TRP 115 -11.892 3.858 2.143 709 HH2 TRP 115 HH TRP 115 -13.011 5.951 2.784 710 H LEU 116 H LEU 116 -9.357 3.130 9.577 711 HA LEU 116 HA LEU 116 -11.446 1.062 9.444 712 HB3 LEU 116 2HB LEU 116 -11.113 0.943 11.623 713 HG LEU 116 HG LEU 116 -9.616 2.360 12.954 714 HD11 LEU 116 1HD1 LEU 116 -8.815 0.328 11.967 715 HD12 LEU 116 2HD1 LEU 116 -7.519 1.518 12.194 716 HD13 LEU 116 3HD1 LEU 116 -8.214 1.180 10.581 717 HD21 LEU 116 3HD2 LEU 116 -8.298 3.748 10.731 718 HD22 LEU 116 1HD2 LEU 116 -8.410 4.096 12.434 719 HD23 LEU 116 2HD2 LEU 116 -9.795 4.414 11.411 720 H GLN 117 H GLN 117 -13.680 1.917 9.823 721 HA GLN 117 HA GLN 117 -15.452 3.170 9.398 722 HB3 GLN 117 2HB GLN 117 -13.941 5.779 9.298 723 HG3 GLN 117 2HG GLN 117 -15.885 6.380 10.896 724 HE21 GLN 117 1HE2 GLN 117 -18.100 5.077 8.822 725 HE22 GLN 117 2HE2 GLN 117 -17.874 6.100 7.415 726 H GLU 118 H GLU 118 -13.288 2.216 7.486 727 HA GLU 118 HA GLU 118 -13.704 3.433 4.925 728 HB3 GLU 118 2HB GLU 118 -11.824 2.059 5.683 729 HG3 GLU 118 2HG GLU 118 -11.787 -0.115 5.448 730 H THR 119 H THR 119 -15.489 1.292 7.071 731 HA THR 119 HA THR 119 -17.213 -0.028 5.306 732 HB THR 119 HB THR 119 -18.685 0.185 7.538 733 HG1 THR 119 1HG THR 119 -16.314 0.218 8.929 734 HG21 THR 119 3HG2 THR 119 -17.686 -1.869 6.658 735 HG22 THR 119 1HG2 THR 119 -17.551 -1.767 8.417 736 HG23 THR 119 2HG2 THR 119 -16.139 -1.432 7.408 737 H SER 120 H SER 120 -18.722 0.752 3.943 738 HA SER 120 HA SER 120 -20.733 2.555 4.772 739 HB3 SER 120 2HB SER 120 -18.889 3.496 2.519 740 HG SER 120 HG SER 120 -21.160 4.776 3.725 741 H LYS 121 H LYS 121 -22.059 2.915 2.453 742 HA LYS 121 HA LYS 121 -22.067 0.375 0.996 743 HB3 LYS 121 2HB LYS 121 -24.813 1.130 1.703 744 HG3 LYS 121 2HG LYS 121 -23.306 -1.385 2.460 745 HD3 LYS 121 2HD LYS 121 -25.885 -0.944 2.987 746 HE3 LYS 121 2HE LYS 121 -26.951 -2.369 0.949 747 HZ1 LYS 121 3HZ LYS 121 -26.780 0.599 0.801 748 HZ2 LYS 121 1HZ LYS 121 -27.878 -0.305 1.634 749 HZ3 LYS 121 2HZ LYS 121 -27.839 -0.384 0.008 750 H ASP 122 H ASP 122 -23.692 0.493 -0.806 751 HA ASP 122 HA ASP 122 -24.485 1.349 -2.727 752 HB3 ASP 122 2HB ASP 122 -25.047 3.765 -1.022 753 H SER 123 H SER 123 -22.458 0.825 -3.528 754 HA SER 123 HA SER 123 -20.325 2.760 -3.190 755 HB3 SER 123 2HB SER 123 -19.442 0.803 -2.589 756 HG SER 123 HG SER 123 -20.297 -1.123 -4.135 757 H SER 124 H SER 124 -20.126 4.270 -4.674 758 HA SER 124 HA SER 124 -20.738 4.012 -7.496 759 HB3 SER 124 2HB SER 124 -18.888 5.981 -6.067 760 HG SER 124 HG SER 124 -20.533 6.939 -8.002 761 H GLY 125 H GLY 125 -18.804 4.386 -9.118 762 HA2 GLY 125 1HA GLY 125 -16.313 4.251 -9.153 763 HA3 GLY 125 2HA GLY 125 -16.475 2.679 -8.364 764 H THR 126 H THR 126 -15.436 1.680 -10.022 765 HA THR 126 HA THR 126 -16.653 1.514 -12.708 766 HB THR 126 HB THR 126 -14.277 1.507 -13.498 767 HG1 THR 126 1HG THR 126 -12.909 2.587 -11.668 768 HG21 THR 126 3HG2 THR 126 -14.872 3.993 -11.854 769 HG22 THR 126 1HG2 THR 126 -15.607 3.609 -13.423 770 HG23 THR 126 2HG2 THR 126 -13.857 3.851 -13.303 Start of MODEL 8 1 H1 GLY 1 H GLY 1 30.962 -1.215 7.625 2 HA2 GLY 1 1HA GLY 1 28.745 -1.719 6.777 3 HA3 GLY 1 2HA GLY 1 29.861 -3.024 6.313 4 H CYS 2 H CYS 2 26.823 -2.565 7.479 5 HA CYS 2 HA CYS 2 26.716 -5.306 8.478 6 HB3 CYS 2 2HB CYS 2 25.335 -2.989 9.920 7 HG CYS 2 HG CYS 2 24.681 -4.551 11.852 8 H LEU 3 H LEU 3 24.619 -6.183 7.792 9 HA LEU 3 HA LEU 3 22.793 -4.344 6.363 10 HB3 LEU 3 2HB LEU 3 22.636 -5.901 4.454 11 HG LEU 3 HG LEU 3 24.293 -3.791 4.551 12 HD11 LEU 3 1HD1 LEU 3 26.189 -6.099 3.880 13 HD12 LEU 3 2HD1 LEU 3 26.292 -5.134 5.354 14 HD13 LEU 3 3HD1 LEU 3 26.552 -4.362 3.788 15 HD21 LEU 3 3HD2 LEU 3 24.716 -4.114 2.168 16 HD22 LEU 3 1HD2 LEU 3 23.066 -4.582 2.597 17 HD23 LEU 3 2HD2 LEU 3 24.286 -5.841 2.305 18 HA PRO 4 HA PRO 4 21.163 -7.754 9.090 19 HB3 PRO 4 2HB PRO 4 21.892 -6.565 10.961 20 HG3 PRO 4 2HG PRO 4 21.668 -4.203 11.092 21 HD3 PRO 4 2HD PRO 4 22.911 -4.432 9.163 22 H GLY 5 H GLY 5 19.771 -5.641 7.005 23 HA2 GLY 5 1HA GLY 5 17.443 -6.716 6.380 24 HA3 GLY 5 2HA GLY 5 16.968 -5.721 7.773 25 H PHE 6 H PHE 6 15.972 -5.027 5.311 26 HA PHE 6 HA PHE 6 17.637 -3.079 4.048 27 HB3 PHE 6 2HB PHE 6 15.216 -2.861 2.710 28 HD1 PHE 6 2HD PHE 6 18.296 -2.585 2.206 29 HD2 PHE 6 1HD PHE 6 15.346 -5.581 1.136 30 HE1 PHE 6 2HE PHE 6 19.669 -3.268 0.362 31 HE2 PHE 6 1HE PHE 6 16.697 -6.153 -0.852 32 HZ PHE 6 HZ PHE 6 18.890 -5.015 -1.236 33 HA PRO 7 HA PRO 7 15.740 0.022 6.844 34 HB3 PRO 7 2HB PRO 7 17.930 0.568 7.518 35 HG3 PRO 7 2HG PRO 7 19.743 0.513 5.985 36 HD3 PRO 7 2HD PRO 7 18.942 -1.626 5.742 37 H GLY 8 H GLY 8 14.866 2.238 6.318 38 HA2 GLY 8 1HA GLY 8 14.474 3.951 4.618 39 HA3 GLY 8 2HA GLY 8 14.349 2.669 3.406 40 H ALA 9 H ALA 9 12.331 2.495 2.832 41 HA ALA 9 HA ALA 9 10.212 2.214 2.655 42 HB1 ALA 9 1HB ALA 9 10.450 1.189 5.448 43 HB2 ALA 9 2HB ALA 9 8.837 1.611 4.868 44 HB3 ALA 9 3HB ALA 9 9.792 0.443 3.970 45 HA PRO 10 HA PRO 10 8.461 6.141 3.191 46 HB3 PRO 10 2HB PRO 10 6.975 5.546 1.517 47 HG3 PRO 10 2HG PRO 10 5.978 3.386 1.452 48 HD3 PRO 10 2HD PRO 10 8.298 3.086 1.536 49 H CYS 11 H CYS 11 7.293 7.525 4.612 50 HA CYS 11 HA CYS 11 6.162 6.357 7.070 51 HB3 CYS 11 2HB CYS 11 7.386 7.851 8.491 52 HG CYS 11 HG CYS 11 9.695 7.372 6.227 53 H ALA 12 H ALA 12 5.303 8.355 8.393 54 HA ALA 12 HA ALA 12 3.634 9.903 8.614 55 HB1 ALA 12 1HB ALA 12 4.097 12.010 7.497 56 HB2 ALA 12 2HB ALA 12 5.607 11.257 8.034 57 HB3 ALA 12 3HB ALA 12 5.162 11.166 6.319 58 H ILE 13 H ILE 13 2.829 7.666 7.080 59 HA ILE 13 HA ILE 13 1.443 8.527 4.697 60 HB ILE 13 HB ILE 13 1.203 5.943 6.292 61 HG13 ILE 13 2HG1 ILE 13 3.248 6.977 4.424 62 HG21 ILE 13 1HG2 ILE 13 -0.776 6.272 4.863 63 HG22 ILE 13 2HG2 ILE 13 0.265 6.594 3.464 64 HG23 ILE 13 3HG2 ILE 13 0.237 4.990 4.220 65 HD11 ILE 13 3HD1 ILE 13 4.534 5.095 5.173 66 HD12 ILE 13 1HD1 ILE 13 3.802 5.914 6.565 67 HD13 ILE 13 2HD1 ILE 13 3.114 4.379 5.970 68 H LYS 14 H LYS 14 -0.663 9.155 4.483 69 HA LYS 14 HA LYS 14 -2.485 8.913 6.793 70 HB3 LYS 14 2HB LYS 14 -3.380 11.256 6.004 71 HG3 LYS 14 2HG LYS 14 -1.700 12.475 7.384 72 HD3 LYS 14 2HD LYS 14 -2.883 9.966 8.642 73 HE3 LYS 14 2HE LYS 14 -1.378 12.318 9.817 74 HZ1 LYS 14 3HZ LYS 14 -3.401 12.267 10.996 75 HZ2 LYS 14 1HZ LYS 14 -2.263 11.593 11.959 76 HZ3 LYS 14 2HZ LYS 14 -3.387 10.636 11.189 77 H ILE 15 H ILE 15 -4.713 9.023 6.209 78 HA ILE 15 HA ILE 15 -5.435 8.647 3.448 79 HB ILE 15 HB ILE 15 -6.349 6.497 5.336 80 HG13 ILE 15 2HG1 ILE 15 -3.961 6.357 5.566 81 HG21 ILE 15 1HG2 ILE 15 -6.710 5.271 3.221 82 HG22 ILE 15 2HG2 ILE 15 -7.403 6.874 3.082 83 HG23 ILE 15 3HG2 ILE 15 -5.834 6.520 2.329 84 HD11 ILE 15 3HD1 ILE 15 -5.117 4.215 5.584 85 HD12 ILE 15 1HD1 ILE 15 -4.930 4.089 3.811 86 HD13 ILE 15 2HD1 ILE 15 -3.509 4.079 4.844 87 H SER 16 H SER 16 -7.484 9.223 3.231 88 HA SER 16 HA SER 16 -9.336 9.499 5.492 89 HB3 SER 16 2HB SER 16 -10.070 11.746 4.876 90 HG SER 16 HG SER 16 -8.506 12.780 5.873 91 H LYS 17 H LYS 17 -11.537 9.364 4.862 92 HA LYS 17 HA LYS 17 -12.055 8.201 2.183 93 HB3 LYS 17 2HB LYS 17 -13.715 8.724 4.680 94 HG3 LYS 17 2HG LYS 17 -15.197 8.819 2.631 95 HD3 LYS 17 2HD LYS 17 -13.819 6.861 1.460 96 HE3 LYS 17 2HE LYS 17 -14.321 5.091 3.204 97 HZ1 LYS 17 3HZ LYS 17 -16.524 5.485 3.876 98 HZ2 LYS 17 1HZ LYS 17 -16.612 4.149 2.983 99 HZ3 LYS 17 2HZ LYS 17 -17.117 5.589 2.338 100 H SER 18 H SER 18 -13.247 9.330 0.581 101 HA SER 18 HA SER 18 -14.339 11.965 1.156 102 HB3 SER 18 2HB SER 18 -11.895 12.017 0.170 103 HG SER 18 HG SER 18 -12.272 10.571 -1.515 104 HA PRO 19 HA PRO 19 -17.642 10.404 -1.408 105 HB3 PRO 19 2HB PRO 19 -18.628 12.436 -1.703 106 HG3 PRO 19 2HG PRO 19 -17.335 14.407 -1.900 107 HD3 PRO 19 2HD PRO 19 -16.570 13.243 0.034 108 H ASP 20 H ASP 20 -14.560 11.222 -3.018 109 HA ASP 20 HA ASP 20 -15.372 9.802 -5.501 110 HB3 ASP 20 2HB ASP 20 -12.832 10.272 -5.983 111 H GLY 21 H GLY 21 -13.871 9.048 -2.466 112 HA2 GLY 21 1HA GLY 21 -13.119 6.547 -2.365 113 HA3 GLY 21 2HA GLY 21 -12.092 7.063 -3.707 114 H ALA 22 H ALA 22 -10.233 6.583 -2.314 115 HA ALA 22 HA ALA 22 -10.117 7.996 0.276 116 HB1 ALA 22 1HB ALA 22 -8.442 5.712 -0.817 117 HB2 ALA 22 2HB ALA 22 -8.315 6.411 0.808 118 HB3 ALA 22 3HB ALA 22 -9.800 5.583 0.325 119 H HIS 23 H HIS 23 -8.695 9.468 0.798 120 HA HIS 23 HA HIS 23 -6.868 10.732 -1.154 121 HB3 HIS 23 2HB HIS 23 -6.496 12.228 0.918 122 HD1 HIS 23 1HD HIS 23 -9.138 11.577 -1.642 123 HD2 HIS 23 2HD HIS 23 -8.251 14.317 1.443 124 HE1 HIS 23 1HE HIS 23 -10.486 13.670 -2.131 125 H LEU 24 H LEU 24 -5.274 9.055 -1.341 126 HA LEU 24 HA LEU 24 -3.797 8.146 1.043 127 HB3 LEU 24 2HB LEU 24 -2.335 7.305 -1.037 128 HG LEU 24 HG LEU 24 -3.586 5.279 -1.190 129 HD11 LEU 24 1HD1 LEU 24 -3.714 6.162 1.682 130 HD12 LEU 24 2HD1 LEU 24 -2.277 5.545 0.858 131 HD13 LEU 24 3HD1 LEU 24 -3.691 4.505 1.078 132 HD21 LEU 24 3HD2 LEU 24 -5.896 6.648 0.189 133 HD22 LEU 24 1HD2 LEU 24 -5.807 4.932 -0.240 134 HD23 LEU 24 2HD2 LEU 24 -5.808 6.177 -1.502 135 H THR 25 H THR 25 -1.954 9.236 1.881 136 HA THR 25 HA THR 25 -0.297 10.818 0.046 137 HB THR 25 HB THR 25 -1.381 11.689 2.749 138 HG1 THR 25 1HG THR 25 -2.999 12.326 1.737 139 HG21 THR 25 3HG2 THR 25 0.753 12.668 2.346 140 HG22 THR 25 1HG2 THR 25 -0.499 13.898 2.189 141 HG23 THR 25 2HG2 THR 25 0.263 13.215 0.718 142 H TRP 26 H TRP 26 1.902 11.001 0.878 143 HA TRP 26 HA TRP 26 2.603 9.952 3.467 144 HB3 TRP 26 2HB TRP 26 2.725 7.850 2.515 145 HD1 TRP 26 HD TRP 26 5.480 8.746 0.051 146 HE1 TRP 26 1HE TRP 26 4.875 7.769 -2.222 147 HE3 TRP 26 3HE TRP 26 0.731 7.236 1.118 148 HZ2 TRP 26 2HZ TRP 26 2.480 6.601 -3.479 149 HZ3 TRP 26 3HZ TRP 26 -0.666 6.162 -0.611 150 HH2 TRP 26 HH TRP 26 0.118 5.998 -2.941 151 H GLU 27 H GLU 27 5.225 9.970 3.521 152 HA GLU 27 HA GLU 27 5.981 12.734 3.050 153 HB3 GLU 27 2HB GLU 27 6.859 11.387 4.945 154 HG3 GLU 27 2HG GLU 27 8.265 9.787 2.751 155 HA PRO 28 HA PRO 28 8.373 12.061 -0.817 156 HB3 PRO 28 2HB PRO 28 8.706 14.390 -0.899 157 HG3 PRO 28 2HG PRO 28 9.131 15.643 1.110 158 HD3 PRO 28 2HD PRO 28 7.062 14.574 1.480 159 HA PRO 29 HA PRO 29 11.212 9.175 0.897 160 HB3 PRO 29 2HB PRO 29 11.332 8.338 -1.241 161 HG3 PRO 29 2HG PRO 29 11.685 9.781 -3.154 162 HD3 PRO 29 2HD PRO 29 9.731 10.486 -2.051 163 H SER 30 H SER 30 12.015 10.332 2.694 164 HA SER 30 HA SER 30 14.600 11.756 2.360 165 HB3 SER 30 2HB SER 30 13.463 13.424 4.001 166 HG SER 30 HG SER 30 13.586 14.345 2.206 167 H VAL 31 H VAL 31 13.986 9.052 3.493 168 HA VAL 31 HA VAL 31 14.765 9.530 6.304 169 HB VAL 31 HB VAL 31 13.835 6.921 5.107 170 HG11 VAL 31 1HG1 VAL 31 15.312 6.718 7.167 171 HG12 VAL 31 2HG1 VAL 31 14.128 7.699 8.041 172 HG13 VAL 31 3HG1 VAL 31 13.671 6.116 7.369 173 HG21 VAL 31 3HG2 VAL 31 11.746 7.306 6.242 174 HG22 VAL 31 1HG2 VAL 31 12.318 8.843 6.926 175 HG23 VAL 31 2HG2 VAL 31 12.032 8.684 5.189 176 H THR 32 H THR 32 15.760 7.554 3.419 177 HA THR 32 HA THR 32 18.504 7.406 4.549 178 HB THR 32 HB THR 32 18.612 5.096 3.781 179 HG1 THR 32 1HG THR 32 15.913 5.507 2.992 180 HG21 THR 32 3HG2 THR 32 17.317 4.018 5.469 181 HG22 THR 32 1HG2 THR 32 16.170 5.360 5.563 182 HG23 THR 32 2HG2 THR 32 17.846 5.579 6.121 183 H SER 33 H SER 33 20.139 6.877 2.870 184 HA SER 33 HA SER 33 19.817 8.513 0.554 185 HB3 SER 33 2HB SER 33 22.143 8.174 0.305 186 HG SER 33 HG SER 33 22.852 8.715 2.293 187 H GLY 34 H GLY 34 17.875 6.548 0.255 188 HA2 GLY 34 1HA GLY 34 18.759 4.469 -1.652 189 HA3 GLY 34 2HA GLY 34 17.106 4.839 -1.140 190 H LYS 35 H LYS 35 18.851 4.964 -3.845 191 HA LYS 35 HA LYS 35 18.154 7.632 -4.810 192 HB3 LYS 35 2HB LYS 35 18.989 5.122 -6.312 193 HG3 LYS 35 2HG LYS 35 19.332 8.035 -7.009 194 HD3 LYS 35 2HD LYS 35 19.546 5.459 -8.590 195 HE3 LYS 35 2HE LYS 35 19.621 8.230 -9.838 196 HZ1 LYS 35 3HZ LYS 35 20.559 6.261 -11.060 197 HZ2 LYS 35 1HZ LYS 35 19.301 6.992 -11.854 198 HZ3 LYS 35 2HZ LYS 35 19.069 5.593 -11.075 199 H ILE 36 H ILE 36 15.954 7.582 -4.175 200 HA ILE 36 HA ILE 36 14.068 5.682 -5.357 201 HB ILE 36 HB ILE 36 13.636 8.295 -3.883 202 HG13 ILE 36 2HG1 ILE 36 12.810 5.385 -3.373 203 HG21 ILE 36 1HG2 ILE 36 11.535 6.569 -5.269 204 HG22 ILE 36 2HG2 ILE 36 11.166 7.810 -4.072 205 HG23 ILE 36 3HG2 ILE 36 11.898 8.284 -5.597 206 HD11 ILE 36 3HD1 ILE 36 13.894 5.713 -1.160 207 HD12 ILE 36 1HD1 ILE 36 15.076 5.754 -2.479 208 HD13 ILE 36 2HD1 ILE 36 14.523 7.272 -1.708 209 H ILE 37 H ILE 37 12.844 5.943 -7.094 210 HA ILE 37 HA ILE 37 13.312 8.127 -9.016 211 HB ILE 37 HB ILE 37 13.502 6.316 -10.757 212 HG13 ILE 37 2HG1 ILE 37 12.704 4.408 -9.370 213 HG21 ILE 37 1HG2 ILE 37 15.909 6.164 -10.560 214 HG22 ILE 37 2HG2 ILE 37 15.454 7.681 -9.780 215 HG23 ILE 37 3HG2 ILE 37 15.836 6.261 -8.788 216 HD11 ILE 37 3HD1 ILE 37 15.532 3.984 -10.429 217 HD12 ILE 37 1HD1 ILE 37 14.422 2.721 -9.937 218 HD13 ILE 37 2HD1 ILE 37 14.010 3.764 -11.327 219 H GLU 38 H GLU 38 11.158 5.798 -7.498 220 HA GLU 38 HA GLU 38 8.921 7.184 -8.669 221 HB3 GLU 38 2HB GLU 38 8.735 4.206 -9.164 222 HG3 GLU 38 2HG GLU 38 6.960 6.074 -9.662 223 H TYR 39 H TYR 39 6.792 5.551 -7.944 224 HA TYR 39 HA TYR 39 7.366 4.210 -5.378 225 HB3 TYR 39 2HB TYR 39 4.796 5.135 -4.999 226 HD1 TYR 39 2HD TYR 39 5.931 4.158 -2.961 227 HD2 TYR 39 1HD TYR 39 6.933 8.007 -4.569 228 HE1 TYR 39 2HE TYR 39 6.889 4.846 -0.746 229 HE2 TYR 39 1HE TYR 39 7.951 8.680 -2.418 230 HH TYR 39 HH TYR 39 8.182 8.110 -0.129 231 H SER 40 H SER 40 5.741 2.585 -4.866 232 HA SER 40 HA SER 40 3.558 2.133 -6.721 233 HB3 SER 40 2HB SER 40 4.061 -0.420 -6.420 234 HG SER 40 HG SER 40 5.802 0.878 -8.210 235 H VAL 41 H VAL 41 1.937 0.742 -5.702 236 HA VAL 41 HA VAL 41 2.123 0.380 -2.839 237 HB VAL 41 HB VAL 41 -0.152 2.025 -4.023 238 HG11 VAL 41 1HG1 VAL 41 -0.937 0.639 -2.254 239 HG12 VAL 41 2HG1 VAL 41 0.451 1.037 -1.224 240 HG13 VAL 41 3HG1 VAL 41 -0.773 2.275 -1.609 241 HG21 VAL 41 3HG2 VAL 41 0.719 3.836 -2.527 242 HG22 VAL 41 1HG2 VAL 41 2.220 2.904 -2.381 243 HG23 VAL 41 2HG2 VAL 41 1.703 3.522 -3.958 244 H TYR 42 H TYR 42 1.471 -1.627 -2.578 245 HA TYR 42 HA TYR 42 -0.285 -2.899 -4.597 246 HB3 TYR 42 2HB TYR 42 0.425 -4.993 -3.728 247 HD1 TYR 42 2HD TYR 42 3.313 -2.871 -2.632 248 HD2 TYR 42 1HD TYR 42 1.683 -5.406 -5.739 249 HE1 TYR 42 2HE TYR 42 5.488 -2.837 -3.800 250 HE2 TYR 42 1HE TYR 42 3.850 -5.371 -6.885 251 HH TYR 42 HH TYR 42 6.071 -4.478 -6.929 252 H LEU 43 H LEU 43 -2.248 -3.717 -3.988 253 HA LEU 43 HA LEU 43 -3.355 -3.156 -1.251 254 HB3 LEU 43 2HB LEU 43 -4.491 -2.727 -4.046 255 HG LEU 43 HG LEU 43 -6.290 -3.515 -2.425 256 HD11 LEU 43 1HD1 LEU 43 -5.558 -2.523 -0.345 257 HD12 LEU 43 2HD1 LEU 43 -7.060 -1.712 -0.840 258 HD13 LEU 43 3HD1 LEU 43 -5.511 -0.902 -1.065 259 HD21 LEU 43 3HD2 LEU 43 -6.886 -2.267 -4.389 260 HD22 LEU 43 1HD2 LEU 43 -6.416 -0.732 -3.632 261 HD23 LEU 43 2HD2 LEU 43 -7.830 -1.610 -3.036 262 H ALA 44 H ALA 44 -4.484 -5.004 -0.387 263 HA ALA 44 HA ALA 44 -4.492 -7.463 -2.010 264 HB1 ALA 44 1HB ALA 44 -5.778 -6.994 0.707 265 HB2 ALA 44 2HB ALA 44 -5.410 -8.542 -0.066 266 HB3 ALA 44 3HB ALA 44 -4.098 -7.486 0.503 267 H ILE 45 H ILE 45 -6.288 -8.338 -3.045 268 HA ILE 45 HA ILE 45 -8.830 -6.934 -2.913 269 HB ILE 45 HB ILE 45 -9.021 -6.447 -5.195 270 HG13 ILE 45 2HG1 ILE 45 -7.306 -6.878 -6.943 271 HG21 ILE 45 1HG2 ILE 45 -6.176 -5.580 -4.599 272 HG22 ILE 45 2HG2 ILE 45 -7.306 -4.842 -5.726 273 HG23 ILE 45 3HG2 ILE 45 -7.636 -4.801 -3.975 274 HD11 ILE 45 3HD1 ILE 45 -6.270 -9.128 -5.188 275 HD12 ILE 45 1HD1 ILE 45 -5.708 -8.616 -6.773 276 HD13 ILE 45 2HD1 ILE 45 -5.407 -7.592 -5.352 277 H GLN 46 H GLN 46 -10.467 -8.249 -4.327 278 HA GLN 46 HA GLN 46 -10.052 -11.139 -4.002 279 HB3 GLN 46 2HB GLN 46 -12.194 -11.247 -5.315 280 HG3 GLN 46 2HG GLN 46 -13.143 -9.379 -3.335 281 HE21 GLN 46 1HE2 GLN 46 -11.975 -12.665 -2.534 282 HE22 GLN 46 2HE2 GLN 46 -13.577 -13.398 -2.651 283 H SER 47 H SER 47 -7.973 -11.206 -5.228 284 HA SER 47 HA SER 47 -8.521 -12.458 -7.673 285 HB3 SER 47 2HB SER 47 -6.694 -10.078 -8.167 286 HG SER 47 HG SER 47 -7.399 -10.638 -10.352 287 H SER 48 H SER 48 -5.877 -12.458 -8.747 288 HA SER 48 HA SER 48 -4.022 -13.307 -6.634 289 HB3 SER 48 2HB SER 48 -3.850 -15.520 -7.361 290 HG SER 48 HG SER 48 -6.584 -15.151 -7.949 291 H GLN 49 H GLN 49 -1.811 -12.855 -7.421 292 HA GLN 49 HA GLN 49 -1.292 -12.844 -10.199 293 HB3 GLN 49 2HB GLN 49 -2.345 -10.680 -10.333 294 HG3 GLN 49 2HG GLN 49 -0.474 -9.674 -8.159 295 HE21 GLN 49 1HE2 GLN 49 0.310 -7.766 -9.159 296 HE22 GLN 49 2HE2 GLN 49 -0.714 -6.719 -10.116 297 H ALA 50 H ALA 50 0.846 -12.608 -10.744 298 HA ALA 50 HA ALA 50 2.798 -13.664 -9.112 299 HB1 ALA 50 1HB ALA 50 4.351 -12.954 -10.899 300 HB2 ALA 50 2HB ALA 50 2.871 -13.654 -11.572 301 HB3 ALA 50 3HB ALA 50 3.104 -11.891 -11.575 302 H SER 51 H SER 51 3.545 -12.832 -7.187 303 HA SER 51 HA SER 51 4.737 -10.251 -7.017 304 HB3 SER 51 2HB SER 51 3.313 -9.423 -5.264 305 HG SER 51 HG SER 51 1.434 -10.658 -6.998 306 H GLY 52 H GLY 52 6.378 -10.599 -5.580 307 HA2 GLY 52 1HA GLY 52 6.308 -12.297 -3.269 308 HA3 GLY 52 2HA GLY 52 7.170 -13.117 -4.564 309 H GLU 53 H GLU 53 7.390 -10.759 -2.093 310 HA GLU 53 HA GLU 53 9.872 -9.502 -2.879 311 HB3 GLU 53 2HB GLU 53 10.010 -9.248 -0.215 312 HG3 GLU 53 2HG GLU 53 8.112 -7.621 -0.153 313 HA PRO 54 HA PRO 54 12.857 -12.693 -1.976 314 HB3 PRO 54 2HB PRO 54 14.280 -11.018 -2.839 315 HG3 PRO 54 2HG PRO 54 14.271 -8.775 -1.922 316 HD3 PRO 54 2HD PRO 54 12.134 -9.208 -2.835 317 H LYS 55 H LYS 55 11.355 -13.382 -0.233 318 HA LYS 55 HA LYS 55 10.852 -14.191 1.803 319 HB3 LYS 55 2HB LYS 55 13.676 -13.685 2.746 320 HG3 LYS 55 2HG LYS 55 11.762 -16.039 3.049 321 HD3 LYS 55 2HD LYS 55 14.518 -16.235 3.012 322 HE3 LYS 55 2HE LYS 55 15.213 -16.707 5.305 323 HZ1 LYS 55 3HZ LYS 55 15.460 -14.538 6.136 324 HZ2 LYS 55 1HZ LYS 55 14.205 -13.934 5.305 325 HZ3 LYS 55 2HZ LYS 55 15.563 -14.409 4.497 326 H SER 56 H SER 56 11.474 -10.956 1.498 327 HA SER 56 HA SER 56 11.648 -10.053 4.119 328 HB3 SER 56 2HB SER 56 10.295 -8.644 1.806 329 HG SER 56 HG SER 56 11.700 -7.194 3.653 330 H SER 57 H SER 57 8.459 -9.783 2.338 331 HA SER 57 HA SER 57 7.144 -11.153 4.605 332 HB3 SER 57 2HB SER 57 5.639 -9.357 5.028 333 HG SER 57 HG SER 57 7.003 -7.706 5.696 334 H THR 58 H THR 58 6.741 -12.823 3.165 335 HA THR 58 HA THR 58 4.360 -12.380 1.514 336 HB THR 58 HB THR 58 6.114 -12.148 -0.078 337 HG1 THR 58 1HG THR 58 5.472 -13.619 -1.534 338 HG21 THR 58 3HG2 THR 58 7.996 -13.270 0.972 339 HG22 THR 58 1HG2 THR 58 7.725 -13.938 -0.642 340 HG23 THR 58 2HG2 THR 58 7.206 -14.844 0.798 341 HA PRO 59 HA PRO 59 4.172 -16.099 4.398 342 HB3 PRO 59 2HB PRO 59 3.662 -15.000 6.306 343 HG3 PRO 59 2HG PRO 59 2.839 -12.779 6.265 344 HD3 PRO 59 2HD PRO 59 4.731 -12.718 4.849 345 H ALA 60 H ALA 60 3.343 -17.651 3.303 346 HA ALA 60 HA ALA 60 2.290 -18.842 1.761 347 HB1 ALA 60 1HB ALA 60 0.774 -19.174 3.590 348 HB2 ALA 60 2HB ALA 60 -0.191 -17.753 3.097 349 HB3 ALA 60 3HB ALA 60 -0.092 -19.191 2.049 350 H GLN 61 H GLN 61 3.270 -16.667 0.639 351 HA GLN 61 HA GLN 61 3.326 -15.634 -1.367 352 HB3 GLN 61 2HB GLN 61 2.763 -16.970 -3.203 353 HG3 GLN 61 2HG GLN 61 2.644 -19.126 -1.077 354 HE21 GLN 61 1HE2 GLN 61 5.525 -19.673 -2.321 355 HE22 GLN 61 2HE2 GLN 61 5.105 -20.547 -3.779 356 H LEU 62 H LEU 62 2.355 -13.682 -0.667 357 HA LEU 62 HA LEU 62 -0.243 -13.008 -0.512 358 HB3 LEU 62 2HB LEU 62 0.954 -11.300 0.275 359 HG LEU 62 HG LEU 62 3.215 -12.084 -0.314 360 HD11 LEU 62 1HD1 LEU 62 2.391 -11.042 -3.015 361 HD12 LEU 62 2HD1 LEU 62 2.925 -12.675 -2.625 362 HD13 LEU 62 3HD1 LEU 62 4.108 -11.347 -2.611 363 HD21 LEU 62 3HD2 LEU 62 2.831 -9.227 -1.256 364 HD22 LEU 62 1HD2 LEU 62 4.332 -9.970 -0.665 365 HD23 LEU 62 2HD2 LEU 62 2.978 -9.743 0.441 366 H ALA 63 H ALA 63 -1.775 -12.092 -1.737 367 HA ALA 63 HA ALA 63 -1.342 -11.863 -4.663 368 HB1 ALA 63 1HB ALA 63 -3.769 -12.943 -3.158 369 HB2 ALA 63 2HB ALA 63 -3.873 -12.282 -4.788 370 HB3 ALA 63 3HB ALA 63 -2.864 -13.721 -4.481 371 H PHE 64 H PHE 64 -0.852 -9.694 -4.569 372 HA PHE 64 HA PHE 64 -2.964 -7.901 -3.530 373 HB3 PHE 64 2HB PHE 64 -1.286 -6.257 -2.948 374 HD1 PHE 64 2HD PHE 64 -2.778 -8.489 -1.269 375 HD2 PHE 64 1HD PHE 64 1.304 -7.155 -1.500 376 HE1 PHE 64 2HE PHE 64 -2.407 -9.264 1.029 377 HE2 PHE 64 1HE PHE 64 1.659 -7.929 0.841 378 HZ PHE 64 HZ PHE 64 -0.169 -9.018 2.085 379 H MET 65 H MET 65 -3.337 -6.159 -4.942 380 HA MET 65 HA MET 65 -2.329 -6.565 -7.674 381 HB3 MET 65 2HB MET 65 -4.706 -4.942 -6.687 382 HG3 MET 65 2HG MET 65 -3.601 -5.703 -9.398 383 HE1 MET 65 3HE MET 65 -7.808 -3.948 -9.446 384 HE2 MET 65 1HE MET 65 -6.975 -4.028 -7.876 385 HE3 MET 65 2HE MET 65 -6.288 -3.070 -9.217 386 H ARG 66 H ARG 66 -1.203 -5.074 -8.700 387 HA ARG 66 HA ARG 66 -0.089 -2.808 -7.235 388 HB3 ARG 66 2HB ARG 66 1.327 -4.224 -8.638 389 HG3 ARG 66 2HG ARG 66 0.304 -3.035 -11.187 390 HD3 ARG 66 2HD ARG 66 1.246 -5.879 -10.676 391 HE ARG 66 HE ARG 66 0.886 -4.104 -13.023 392 HH11 ARG 66 1HH1 ARG 66 2.110 -7.368 -12.005 393 HH12 ARG 66 2HH1 ARG 66 2.138 -7.874 -13.664 394 HH21 ARG 66 1HH2 ARG 66 0.999 -4.933 -15.130 395 HH22 ARG 66 2HH2 ARG 66 1.823 -6.414 -15.402 396 H VAL 67 H VAL 67 -2.371 -2.061 -6.997 397 HA VAL 67 HA VAL 67 -3.874 -0.800 -9.043 398 HB VAL 67 HB VAL 67 -4.655 0.713 -7.036 399 HG11 VAL 67 1HG1 VAL 67 -6.070 -1.077 -6.211 400 HG12 VAL 67 2HG1 VAL 67 -5.875 -1.242 -7.949 401 HG13 VAL 67 3HG1 VAL 67 -4.971 -2.319 -6.859 402 HG21 VAL 67 3HG2 VAL 67 -4.194 -0.185 -4.819 403 HG22 VAL 67 1HG2 VAL 67 -3.058 -1.366 -5.446 404 HG23 VAL 67 2HG2 VAL 67 -2.690 0.368 -5.560 405 H TYR 68 H TYR 68 -0.968 0.349 -7.379 406 HA TYR 68 HA TYR 68 -1.441 3.086 -8.036 407 HB3 TYR 68 2HB TYR 68 1.175 1.884 -7.094 408 HD1 TYR 68 2HD TYR 68 -1.092 4.224 -5.378 409 HD2 TYR 68 1HD TYR 68 2.410 3.898 -7.892 410 HE1 TYR 68 2HE TYR 68 -0.591 6.624 -5.005 411 HE2 TYR 68 1HE TYR 68 2.922 6.258 -7.486 412 HH TYR 68 HH TYR 68 1.970 8.363 -6.673 413 H CYS 69 H CYS 69 -1.549 3.449 -10.204 414 HA CYS 69 HA CYS 69 1.046 3.332 -11.680 415 HB3 CYS 69 2HB CYS 69 -0.238 3.150 -13.757 416 HG CYS 69 HG CYS 69 -0.949 0.682 -13.830 417 H GLY 70 H GLY 70 1.813 5.395 -11.735 418 HA2 GLY 70 1HA GLY 70 0.727 7.463 -13.074 419 HA3 GLY 70 2HA GLY 70 0.158 7.734 -11.414 420 HA PRO 71 HA PRO 71 4.715 8.769 -12.305 421 HB3 PRO 71 2HB PRO 71 4.377 10.333 -13.960 422 HG3 PRO 71 2HG PRO 71 2.414 11.676 -14.016 423 HD3 PRO 71 2HD PRO 71 1.637 9.454 -13.871 424 H SER 72 H SER 72 2.732 11.178 -10.387 425 HA SER 72 HA SER 72 4.983 11.573 -8.611 426 HB3 SER 72 2HB SER 72 3.620 13.372 -7.755 427 HG SER 72 HG SER 72 4.342 13.450 -10.074 428 HA PRO 73 HA PRO 73 3.518 8.960 -5.170 429 HB3 PRO 73 2HB PRO 73 5.345 9.658 -3.949 430 HG3 PRO 73 2HG PRO 73 6.070 11.928 -3.983 431 HD3 PRO 73 2HD PRO 73 6.038 11.193 -6.234 432 H SER 74 H SER 74 2.008 9.277 -3.050 433 HA SER 74 HA SER 74 0.036 9.837 -2.139 434 HB3 SER 74 2HB SER 74 -0.121 12.255 -1.696 435 HG SER 74 HG SER 74 2.451 12.342 -1.454 436 H CYS 75 H CYS 75 -0.271 9.135 -5.009 437 HA CYS 75 HA CYS 75 -2.275 10.767 -6.224 438 HB3 CYS 75 2HB CYS 75 -2.002 7.784 -6.628 439 HG CYS 75 HG CYS 75 -1.901 8.696 -9.326 440 H LEU 76 H LEU 76 -4.533 10.121 -6.656 441 HA LEU 76 HA LEU 76 -5.901 9.402 -4.197 442 HB3 LEU 76 2HB LEU 76 -7.560 9.655 -6.639 443 HG LEU 76 HG LEU 76 -7.976 10.140 -3.959 444 HD11 LEU 76 1HD1 LEU 76 -8.190 12.595 -3.660 445 HD12 LEU 76 2HD1 LEU 76 -7.509 12.852 -5.273 446 HD13 LEU 76 3HD1 LEU 76 -6.511 12.137 -4.002 447 HD21 LEU 76 3HD2 LEU 76 -9.775 9.832 -5.574 448 HD22 LEU 76 1HD2 LEU 76 -9.474 11.443 -6.256 449 HD23 LEU 76 2HD2 LEU 76 -10.071 11.275 -4.591 450 H VAL 77 H VAL 77 -7.885 7.897 -4.376 451 HA VAL 77 HA VAL 77 -7.461 5.542 -6.114 452 HB VAL 77 HB VAL 77 -7.656 5.550 -3.068 453 HG11 VAL 77 1HG1 VAL 77 -9.049 3.685 -4.068 454 HG12 VAL 77 2HG1 VAL 77 -7.577 3.093 -4.866 455 HG13 VAL 77 3HG1 VAL 77 -7.670 3.158 -3.101 456 HG21 VAL 77 3HG2 VAL 77 -5.538 4.308 -3.174 457 HG22 VAL 77 1HG2 VAL 77 -5.548 4.431 -4.954 458 HG23 VAL 77 2HG2 VAL 77 -5.367 5.883 -3.933 459 H GLN 78 H GLN 78 -9.331 5.650 -7.228 460 HA GLN 78 HA GLN 78 -11.849 6.492 -6.549 461 HB3 GLN 78 2HB GLN 78 -12.661 4.661 -8.114 462 HG3 GLN 78 2HG GLN 78 -10.257 6.065 -9.235 463 HE21 GLN 78 1HE2 GLN 78 -10.154 4.838 -11.238 464 HE22 GLN 78 2HE2 GLN 78 -11.586 4.619 -12.239 465 H SER 79 H SER 79 -13.609 5.765 -5.614 466 HA SER 79 HA SER 79 -13.604 3.810 -3.577 467 HB3 SER 79 2HB SER 79 -16.187 4.683 -4.866 468 HG SER 79 HG SER 79 -16.544 3.776 -2.935 469 H SER 80 H SER 80 -14.403 3.409 -7.038 470 HA SER 80 HA SER 80 -15.651 0.923 -6.942 471 HB3 SER 80 2HB SER 80 -13.539 1.813 -8.955 472 HG SER 80 HG SER 80 -15.217 0.747 -10.310 473 H SER 81 H SER 81 -12.086 1.560 -7.072 474 HA SER 81 HA SER 81 -11.318 -1.157 -6.810 475 HB3 SER 81 2HB SER 81 -9.113 -0.296 -6.403 476 HG SER 81 HG SER 81 -10.589 0.703 -8.394 477 H LEU 82 H LEU 82 -12.010 1.361 -4.345 478 HA LEU 82 HA LEU 82 -10.986 -0.097 -2.112 479 HB3 LEU 82 2HB LEU 82 -12.515 1.293 -0.739 480 HG LEU 82 HG LEU 82 -11.246 2.948 -2.952 481 HD11 LEU 82 1HD1 LEU 82 -11.278 4.773 -1.351 482 HD12 LEU 82 2HD1 LEU 82 -12.065 3.739 -0.139 483 HD13 LEU 82 3HD1 LEU 82 -12.933 4.187 -1.595 484 HD21 LEU 82 3HD2 LEU 82 -9.581 1.514 -1.882 485 HD22 LEU 82 1HD2 LEU 82 -10.143 1.998 -0.276 486 HD23 LEU 82 2HD2 LEU 82 -9.360 3.190 -1.331 487 H SER 83 H SER 83 -13.962 -0.508 -3.956 488 HA SER 83 HA SER 83 -15.300 -2.051 -1.900 489 HB3 SER 83 2HB SER 83 -16.966 -2.417 -3.561 490 HG SER 83 HG SER 83 -15.857 0.180 -4.078 491 H ASN 84 H ASN 84 -13.145 -2.847 -4.630 492 HA ASN 84 HA ASN 84 -13.460 -5.753 -4.283 493 HB3 ASN 84 2HB ASN 84 -11.126 -5.537 -5.689 494 HD21 ASN 84 1HD2 ASN 84 -13.261 -3.912 -7.722 495 HD22 ASN 84 2HD2 ASN 84 -14.298 -5.250 -8.183 496 H ALA 85 H ALA 85 -11.915 -3.398 -2.409 497 HA ALA 85 HA ALA 85 -9.370 -4.717 -2.015 498 HB1 ALA 85 1HB ALA 85 -9.696 -2.251 -1.720 499 HB2 ALA 85 2HB ALA 85 -10.748 -2.606 -0.325 500 HB3 ALA 85 3HB ALA 85 -9.036 -3.063 -0.281 501 H HIS 86 H HIS 86 -8.816 -6.089 -0.513 502 HA HIS 86 HA HIS 86 -10.854 -7.614 0.912 503 HB3 HIS 86 2HB HIS 86 -7.841 -7.703 0.634 504 HD1 HIS 86 1HD HIS 86 -7.330 -8.127 3.325 505 HD2 HIS 86 2HD HIS 86 -9.742 -10.932 1.267 506 HE1 HIS 86 1HE HIS 86 -7.408 -10.179 4.751 507 H ILE 87 H ILE 87 -11.755 -6.758 2.661 508 HA ILE 87 HA ILE 87 -10.384 -5.158 4.657 509 HB ILE 87 HB ILE 87 -12.734 -7.025 5.165 510 HG13 ILE 87 2HG1 ILE 87 -14.316 -5.159 4.738 511 HG21 ILE 87 1HG2 ILE 87 -13.306 -5.343 6.919 512 HG22 ILE 87 2HG2 ILE 87 -11.724 -6.080 7.157 513 HG23 ILE 87 3HG2 ILE 87 -11.832 -4.435 6.507 514 HD11 ILE 87 3HD1 ILE 87 -13.715 -3.272 3.312 515 HD12 ILE 87 1HD1 ILE 87 -12.772 -3.178 4.810 516 HD13 ILE 87 2HD1 ILE 87 -12.022 -3.765 3.304 517 H ASP 88 H ASP 88 -8.969 -5.811 6.065 518 HA ASP 88 HA ASP 88 -8.054 -8.523 6.135 519 HB3 ASP 88 2HB ASP 88 -7.443 -6.290 8.112 520 H TYR 89 H TYR 89 -8.559 -10.118 7.585 521 HA TYR 89 HA TYR 89 -10.001 -9.447 10.058 522 HB3 TYR 89 2HB TYR 89 -11.160 -11.783 9.544 523 HD1 TYR 89 1HD TYR 89 -11.991 -9.011 7.172 524 HD2 TYR 89 2HD TYR 89 -12.913 -10.904 10.948 525 HE1 TYR 89 1HE TYR 89 -14.089 -7.703 7.314 526 HE2 TYR 89 2HE TYR 89 -15.022 -9.628 11.070 527 HH TYR 89 HH TYR 89 -16.309 -7.953 8.327 528 H THR 90 H THR 90 -7.396 -9.519 9.981 529 HA THR 90 HA THR 90 -7.062 -11.969 11.589 530 HB THR 90 HB THR 90 -4.615 -11.776 11.263 531 HG1 THR 90 1HG THR 90 -5.339 -9.675 9.552 532 HG21 THR 90 3HG2 THR 90 -6.061 -12.214 8.630 533 HG22 THR 90 1HG2 THR 90 -5.936 -13.409 9.937 534 HG23 THR 90 2HG2 THR 90 -4.477 -12.856 9.106 535 H THR 91 H THR 91 -6.827 -8.502 11.433 536 HA THR 91 HA THR 91 -6.147 -8.472 14.338 537 HB THR 91 HB THR 91 -4.825 -6.404 13.887 538 HG1 THR 91 1HG THR 91 -4.019 -6.484 11.586 539 HG21 THR 91 3HG2 THR 91 -3.810 -8.708 14.100 540 HG22 THR 91 1HG2 THR 91 -2.837 -7.586 13.167 541 HG23 THR 91 2HG2 THR 91 -3.795 -8.822 12.333 542 H LYS 92 H LYS 92 -7.346 -6.017 11.929 543 HA LYS 92 HA LYS 92 -9.761 -5.640 13.543 544 HB3 LYS 92 2HB LYS 92 -9.380 -3.115 13.478 545 HG3 LYS 92 2HG LYS 92 -7.304 -4.434 15.242 546 HD3 LYS 92 2HD LYS 92 -8.283 -3.058 16.994 547 HE3 LYS 92 2HE LYS 92 -7.893 -1.170 14.655 548 HZ1 LYS 92 3HZ LYS 92 -6.843 -0.951 17.394 549 HZ2 LYS 92 1HZ LYS 92 -8.377 -0.509 17.064 550 HZ3 LYS 92 2HZ LYS 92 -7.164 0.276 16.325 551 HA PRO 93 HA PRO 93 -11.341 -5.133 9.488 552 HB3 PRO 93 2HB PRO 93 -13.448 -5.213 10.424 553 HG3 PRO 93 2HG PRO 93 -13.988 -3.964 12.380 554 HD3 PRO 93 2HD PRO 93 -12.098 -5.240 12.980 555 H ALA 94 H ALA 94 -9.694 -4.192 8.430 556 HA ALA 94 HA ALA 94 -9.990 -1.438 7.617 557 HB1 ALA 94 1HB ALA 94 -8.501 -0.966 9.475 558 HB2 ALA 94 2HB ALA 94 -7.533 -2.423 9.185 559 HB3 ALA 94 3HB ALA 94 -7.451 -1.059 8.066 560 H ILE 95 H ILE 95 -8.425 -1.058 5.809 561 HA ILE 95 HA ILE 95 -7.906 -3.569 4.274 562 HB ILE 95 HB ILE 95 -8.250 -0.656 3.449 563 HG13 ILE 95 2HG1 ILE 95 -10.296 -2.194 3.941 564 HG21 ILE 95 1HG2 ILE 95 -7.436 -3.079 1.786 565 HG22 ILE 95 2HG2 ILE 95 -7.991 -1.554 1.107 566 HG23 ILE 95 3HG2 ILE 95 -6.500 -1.577 2.037 567 HD11 ILE 95 3HD1 ILE 95 -10.604 -0.166 2.613 568 HD12 ILE 95 1HD1 ILE 95 -10.078 -0.992 1.147 569 HD13 ILE 95 2HD1 ILE 95 -11.562 -1.505 1.959 570 H ILE 96 H ILE 96 -5.847 -4.286 4.398 571 HA ILE 96 HA ILE 96 -3.595 -2.858 5.435 572 HB ILE 96 HB ILE 96 -3.814 -5.259 3.556 573 HG13 ILE 96 2HG1 ILE 96 -3.416 -6.693 5.447 574 HG21 ILE 96 1HG2 ILE 96 -1.581 -4.478 3.251 575 HG22 ILE 96 2HG2 ILE 96 -1.341 -4.244 5.002 576 HG23 ILE 96 3HG2 ILE 96 -1.516 -5.883 4.310 577 HD11 ILE 96 3HD1 ILE 96 -3.573 -5.875 7.777 578 HD12 ILE 96 1HD1 ILE 96 -2.081 -5.322 6.988 579 HD13 ILE 96 2HD1 ILE 96 -3.456 -4.208 7.191 580 H PHE 97 H PHE 97 -1.869 -1.861 4.322 581 HA PHE 97 HA PHE 97 -2.075 -1.672 1.362 582 HB3 PHE 97 2HB PHE 97 -0.796 0.655 1.945 583 HD1 PHE 97 1HD PHE 97 -2.204 0.174 -0.296 584 HD2 PHE 97 2HD PHE 97 -3.851 1.547 3.452 585 HE1 PHE 97 1HE PHE 97 -4.073 1.241 -1.507 586 HE2 PHE 97 2HE PHE 97 -5.710 2.637 2.216 587 HZ PHE 97 HZ PHE 97 -5.785 2.556 -0.242 588 H ARG 98 H ARG 98 -0.063 -1.716 0.336 589 HA ARG 98 HA ARG 98 2.353 -2.083 2.044 590 HB3 ARG 98 2HB ARG 98 3.133 -3.581 0.086 591 HG3 ARG 98 2HG ARG 98 1.039 -5.248 0.980 592 HD3 ARG 98 2HD ARG 98 2.677 -6.253 2.530 593 HE ARG 98 HE ARG 98 3.206 -6.151 -0.200 594 HH11 ARG 98 1HH1 ARG 98 5.218 -6.300 2.747 595 HH12 ARG 98 2HH1 ARG 98 6.565 -7.022 1.959 596 HH21 ARG 98 1HH2 ARG 98 4.754 -7.473 -1.117 597 HH22 ARG 98 2HH2 ARG 98 6.202 -7.905 -0.268 598 H ILE 99 H ILE 99 2.935 0.161 1.790 599 HA ILE 99 HA ILE 99 3.092 1.255 -0.982 600 HB ILE 99 HB ILE 99 3.496 2.555 1.739 601 HG13 ILE 99 2HG1 ILE 99 1.086 1.859 1.159 602 HG21 ILE 99 1HG2 ILE 99 3.099 4.140 -0.830 603 HG22 ILE 99 2HG2 ILE 99 3.763 4.659 0.712 604 HG23 ILE 99 3HG2 ILE 99 4.711 3.624 -0.352 605 HD11 ILE 99 3HD1 ILE 99 0.066 3.948 1.763 606 HD12 ILE 99 1HD1 ILE 99 1.529 3.652 2.735 607 HD13 ILE 99 2HD1 ILE 99 1.557 4.833 1.380 608 H ALA 100 H ALA 100 5.140 1.364 -1.963 609 HA ALA 100 HA ALA 100 7.443 1.296 -0.190 610 HB1 ALA 100 1HB ALA 100 6.980 -1.135 -0.683 611 HB2 ALA 100 2HB ALA 100 7.108 -0.785 -2.421 612 HB3 ALA 100 3HB ALA 100 8.524 -0.605 -1.360 613 H ALA 101 H ALA 101 9.102 2.431 -0.872 614 HA ALA 101 HA ALA 101 8.700 4.176 -3.181 615 HB1 ALA 101 1HB ALA 101 10.510 5.400 -2.399 616 HB2 ALA 101 2HB ALA 101 9.710 4.878 -0.919 617 HB3 ALA 101 3HB ALA 101 11.196 4.054 -1.468 618 H ARG 102 H ARG 102 9.490 3.852 -5.158 619 HA ARG 102 HA ARG 102 10.921 1.350 -5.723 620 HB3 ARG 102 2HB ARG 102 9.774 3.531 -7.460 621 HG3 ARG 102 2HG ARG 102 11.268 2.701 -8.994 622 HD3 ARG 102 2HD ARG 102 10.995 0.134 -7.520 623 HE ARG 102 HE ARG 102 10.931 -1.118 -9.354 624 HH11 ARG 102 1HH1 ARG 102 12.486 1.850 -10.512 625 HH12 ARG 102 2HH1 ARG 102 13.460 1.031 -11.695 626 HH21 ARG 102 1HH2 ARG 102 12.083 -2.155 -11.068 627 HH22 ARG 102 2HH2 ARG 102 13.078 -1.220 -12.127 628 H ASN 103 H ASN 103 13.026 1.381 -5.489 629 HA ASN 103 HA ASN 103 14.579 3.727 -6.330 630 HB3 ASN 103 2HB ASN 103 14.136 3.720 -3.759 631 HD21 ASN 103 1HD2 ASN 103 13.741 1.109 -3.511 632 HD22 ASN 103 2HD2 ASN 103 14.952 0.468 -2.420 633 H GLU 104 H GLU 104 16.997 3.016 -5.964 634 HA GLU 104 HA GLU 104 17.198 0.695 -7.748 635 HB3 GLU 104 2HB GLU 104 19.460 1.528 -8.179 636 HG3 GLU 104 2HG GLU 104 17.430 3.772 -8.460 637 H LYS 105 H LYS 105 17.373 0.860 -4.363 638 HA LYS 105 HA LYS 105 19.204 -1.389 -4.133 639 HB3 LYS 105 2HB LYS 105 17.635 -1.674 -2.064 640 HG3 LYS 105 2HG LYS 105 18.735 0.438 -0.961 641 HD3 LYS 105 2HD LYS 105 19.802 -2.156 -1.615 642 HE3 LYS 105 2HE LYS 105 22.228 -1.427 -1.133 643 HZ1 LYS 105 3HZ LYS 105 21.548 -0.919 -3.916 644 HZ2 LYS 105 1HZ LYS 105 21.322 -2.439 -3.265 645 HZ3 LYS 105 2HZ LYS 105 22.802 -1.759 -3.267 646 H GLY 106 H GLY 106 15.559 -1.107 -4.031 647 HA2 GLY 106 1HA GLY 106 14.572 -2.791 -5.796 648 HA3 GLY 106 2HA GLY 106 15.606 -3.928 -4.956 649 H TYR 107 H TYR 107 13.332 -1.629 -3.894 650 HA TYR 107 HA TYR 107 12.229 -1.391 -1.858 651 HB3 TYR 107 2HB TYR 107 10.370 -2.791 -2.073 652 HD1 TYR 107 1HD TYR 107 9.770 -0.549 -3.243 653 HD2 TYR 107 2HD TYR 107 11.260 -4.041 -5.298 654 HE1 TYR 107 1HE TYR 107 8.637 0.195 -5.307 655 HE2 TYR 107 2HE TYR 107 10.198 -3.272 -7.380 656 HH TYR 107 HH TYR 107 8.170 -0.351 -7.655 657 H GLY 108 H GLY 108 11.081 -3.473 -0.224 658 HA2 GLY 108 1HA GLY 108 12.359 -5.618 0.581 659 HA3 GLY 108 2HA GLY 108 13.300 -4.383 1.442 660 HA PRO 109 HA PRO 109 9.846 -4.093 4.349 661 HB3 PRO 109 2HB PRO 109 11.252 -2.750 5.660 662 HG3 PRO 109 2HG PRO 109 12.630 -1.031 4.666 663 HD3 PRO 109 2HD PRO 109 13.168 -3.233 3.812 664 H ALA 110 H ALA 110 7.707 -3.329 4.332 665 HA ALA 110 HA ALA 110 6.861 -1.181 2.520 666 HB1 ALA 110 1HB ALA 110 6.611 -3.185 1.110 667 HB2 ALA 110 2HB ALA 110 5.776 -4.027 2.429 668 HB3 ALA 110 3HB ALA 110 5.014 -2.622 1.647 669 H THR 111 H THR 111 5.849 0.114 4.001 670 HA THR 111 HA THR 111 5.495 -0.657 6.650 671 HB THR 111 HB THR 111 4.199 1.682 5.170 672 HG1 THR 111 1HG THR 111 6.213 2.729 5.658 673 HG21 THR 111 3HG2 THR 111 3.503 1.441 7.572 674 HG22 THR 111 1HG2 THR 111 4.473 2.898 7.285 675 HG23 THR 111 2HG2 THR 111 5.214 1.479 8.038 676 H GLN 112 H GLN 112 3.842 -1.739 7.735 677 HA GLN 112 HA GLN 112 1.500 -2.625 6.212 678 HB3 GLN 112 2HB GLN 112 2.179 -3.252 9.099 679 HG3 GLN 112 2HG GLN 112 0.733 -4.906 6.975 680 HE21 GLN 112 1HE2 GLN 112 -0.010 -6.993 7.813 681 HE22 GLN 112 2HE2 GLN 112 0.068 -7.367 9.503 682 H VAL 113 H VAL 113 0.587 -0.618 5.846 683 HA VAL 113 HA VAL 113 -0.523 0.896 8.156 684 HB VAL 113 HB VAL 113 -0.584 1.326 5.127 685 HG11 VAL 113 1HG1 VAL 113 -2.521 2.383 6.133 686 HG12 VAL 113 2HG1 VAL 113 -1.494 3.177 7.359 687 HG13 VAL 113 3HG1 VAL 113 -1.363 3.614 5.639 688 HG21 VAL 113 3HG2 VAL 113 1.691 1.671 5.956 689 HG22 VAL 113 1HG2 VAL 113 0.974 3.230 5.577 690 HG23 VAL 113 2HG2 VAL 113 1.086 2.709 7.272 691 H ARG 114 H ARG 114 -2.770 0.804 8.570 692 HA ARG 114 HA ARG 114 -4.406 -0.869 6.788 693 HB3 ARG 114 2HB ARG 114 -5.429 -1.849 8.637 694 HG3 ARG 114 2HG ARG 114 -2.872 -2.492 8.410 695 HD3 ARG 114 2HD ARG 114 -3.110 -1.264 11.190 696 HE ARG 114 HE ARG 114 -1.388 -3.355 10.225 697 HH11 ARG 114 1HH1 ARG 114 -1.027 -0.344 12.016 698 HH12 ARG 114 2HH1 ARG 114 -0.007 -1.026 13.249 699 HH21 ARG 114 1HH2 ARG 114 0.319 -4.105 11.542 700 HH22 ARG 114 2HH2 ARG 114 0.654 -3.297 13.037 701 H TRP 115 H TRP 115 -6.220 0.193 6.092 702 HA TRP 115 HA TRP 115 -6.762 2.872 7.200 703 HB3 TRP 115 2HB TRP 115 -7.933 1.444 4.797 704 HD1 TRP 115 HD TRP 115 -7.522 4.896 6.550 705 HE1 TRP 115 1HE TRP 115 -9.318 6.462 5.706 706 HE3 TRP 115 3HE TRP 115 -9.732 1.788 3.172 707 HZ2 TRP 115 2HZ TRP 115 -11.241 6.505 3.506 708 HZ3 TRP 115 3HZ TRP 115 -11.587 2.614 1.731 709 HH2 TRP 115 HH TRP 115 -12.335 4.994 1.897 710 H LEU 116 H LEU 116 -8.063 2.871 8.941 711 HA LEU 116 HA LEU 116 -10.168 0.863 9.431 712 HB3 LEU 116 2HB LEU 116 -10.463 2.198 11.542 713 HG LEU 116 HG LEU 116 -7.611 1.308 11.001 714 HD11 LEU 116 1HD1 LEU 116 -8.820 2.460 13.552 715 HD12 LEU 116 2HD1 LEU 116 -7.517 3.162 12.571 716 HD13 LEU 116 3HD1 LEU 116 -7.247 1.656 13.460 717 HD21 LEU 116 3HD2 LEU 116 -9.497 -0.424 11.330 718 HD22 LEU 116 1HD2 LEU 116 -9.650 0.182 12.972 719 HD23 LEU 116 2HD2 LEU 116 -8.113 -0.546 12.422 720 H GLN 117 H GLN 117 -12.299 1.975 10.287 721 HA GLN 117 HA GLN 117 -14.129 3.125 10.016 722 HB3 GLN 117 2HB GLN 117 -12.836 5.255 8.291 723 HG3 GLN 117 2HG GLN 117 -14.267 6.465 10.306 724 HE21 GLN 117 1HE2 GLN 117 -13.652 7.562 8.044 725 HE22 GLN 117 2HE2 GLN 117 -15.032 7.814 6.971 726 H GLU 118 H GLU 118 -12.832 1.234 7.891 727 HA GLU 118 HA GLU 118 -14.623 1.539 5.645 728 HB3 GLU 118 2HB GLU 118 -14.007 -1.087 5.598 729 HG3 GLU 118 2HG GLU 118 -11.884 -0.544 4.499 730 H THR 119 H THR 119 -16.561 2.124 6.862 731 HA THR 119 HA THR 119 -18.086 -0.252 6.730 732 HB THR 119 HB THR 119 -18.606 -0.760 8.604 733 HG1 THR 119 1HG THR 119 -20.026 1.601 9.117 734 HG21 THR 119 3HG2 THR 119 -16.808 0.213 9.467 735 HG22 THR 119 1HG2 THR 119 -18.136 0.464 10.640 736 HG23 THR 119 2HG2 THR 119 -17.554 1.837 9.612 737 H SER 120 H SER 120 -19.189 0.467 4.819 738 HA SER 120 HA SER 120 -21.184 2.433 5.047 739 HB3 SER 120 2HB SER 120 -20.488 3.828 3.062 740 HG SER 120 HG SER 120 -19.150 3.830 5.497 741 H LYS 121 H LYS 121 -22.685 2.156 3.190 742 HA LYS 121 HA LYS 121 -21.811 0.395 1.004 743 HB3 LYS 121 2HB LYS 121 -24.418 -0.209 2.463 744 HG3 LYS 121 2HG LYS 121 -22.708 -1.844 0.519 745 HD3 LYS 121 2HD LYS 121 -24.713 -3.254 0.296 746 HE3 LYS 121 2HE LYS 121 -22.818 -3.665 2.140 747 HZ1 LYS 121 3HZ LYS 121 -25.350 -3.640 3.681 748 HZ2 LYS 121 1HZ LYS 121 -24.038 -2.676 3.993 749 HZ3 LYS 121 2HZ LYS 121 -23.927 -4.278 4.189 750 H ASP 122 H ASP 122 -22.028 3.172 0.960 751 HA ASP 122 HA ASP 122 -24.845 3.879 0.629 752 HB3 ASP 122 2HB ASP 122 -22.574 5.833 0.270 753 H SER 123 H SER 123 -22.293 3.048 -1.562 754 HA SER 123 HA SER 123 -22.973 4.506 -3.885 755 HB3 SER 123 2HB SER 123 -21.932 2.592 -5.102 756 HG SER 123 HG SER 123 -19.951 2.912 -4.283 757 H SER 124 H SER 124 -24.245 4.004 -5.726 758 HA SER 124 HA SER 124 -26.126 1.758 -5.683 759 HB3 SER 124 2HB SER 124 -27.127 4.624 -5.930 760 HG SER 124 HG SER 124 -28.987 3.511 -4.960 761 H GLY 125 H GLY 125 -24.588 1.243 -7.434 762 HA2 GLY 125 1HA GLY 125 -25.100 2.376 -10.039 763 HA3 GLY 125 2HA GLY 125 -23.625 3.050 -9.326 764 H THR 126 H THR 126 -25.021 -0.239 -9.030 765 HA THR 126 HA THR 126 -22.788 -1.421 -10.516 766 HB THR 126 HB THR 126 -22.044 -1.648 -8.227 767 HG1 THR 126 1HG THR 126 -23.246 -3.830 -9.438 768 HG21 THR 126 3HG2 THR 126 -23.421 -2.824 -6.493 769 HG22 THR 126 1HG2 THR 126 -24.817 -2.730 -7.576 770 HG23 THR 126 2HG2 THR 126 -24.055 -1.247 -6.942 Start of MODEL 9 1 H1 GLY 1 H GLY 1 25.615 -9.915 12.086 2 HA2 GLY 1 1HA GLY 1 25.088 -9.181 9.805 3 HA3 GLY 1 2HA GLY 1 25.010 -10.890 9.351 4 H CYS 2 H CYS 2 23.475 -8.425 11.496 5 HA CYS 2 HA CYS 2 21.176 -10.062 12.094 6 HB3 CYS 2 2HB CYS 2 20.216 -7.893 12.905 7 HG CYS 2 HG CYS 2 21.473 -9.406 14.562 8 H LEU 3 H LEU 3 21.818 -7.524 9.675 9 HA LEU 3 HA LEU 3 20.553 -6.614 8.016 10 HB3 LEU 3 2HB LEU 3 19.657 -8.476 6.419 11 HG LEU 3 HG LEU 3 22.564 -8.296 7.270 12 HD11 LEU 3 1HD1 LEU 3 22.094 -10.493 6.230 13 HD12 LEU 3 2HD1 LEU 3 23.161 -9.476 5.221 14 HD13 LEU 3 3HD1 LEU 3 21.451 -9.676 4.806 15 HD21 LEU 3 3HD2 LEU 3 21.018 -7.162 4.886 16 HD22 LEU 3 1HD2 LEU 3 22.770 -7.067 5.066 17 HD23 LEU 3 2HD2 LEU 3 21.706 -6.223 6.216 18 HA PRO 4 HA PRO 4 16.493 -7.249 10.216 19 HB3 PRO 4 2HB PRO 4 16.965 -6.023 12.102 20 HG3 PRO 4 2HG PRO 4 18.627 -4.331 12.069 21 HD3 PRO 4 2HD PRO 4 19.676 -6.210 11.124 22 H GLY 5 H GLY 5 17.356 -4.126 8.531 23 HA2 GLY 5 1HA GLY 5 15.019 -4.540 6.778 24 HA3 GLY 5 2HA GLY 5 15.050 -3.113 7.803 25 H PHE 6 H PHE 6 15.199 -3.608 4.844 26 HA PHE 6 HA PHE 6 17.606 -2.442 3.851 27 HB3 PHE 6 2HB PHE 6 15.633 -1.573 2.155 28 HD1 PHE 6 1HD PHE 6 16.991 -4.937 3.237 29 HD2 PHE 6 2HD PHE 6 16.117 -2.237 -0.026 30 HE1 PHE 6 1HE PHE 6 18.256 -6.391 1.692 31 HE2 PHE 6 2HE PHE 6 17.329 -3.750 -1.579 32 HZ PHE 6 HZ PHE 6 18.468 -5.770 -0.701 33 HA PRO 7 HA PRO 7 17.039 1.792 5.091 34 HB3 PRO 7 2HB PRO 7 19.167 2.134 4.137 35 HG3 PRO 7 2HG PRO 7 19.740 1.238 2.019 36 HD3 PRO 7 2HD PRO 7 19.049 -0.600 3.333 37 H GLY 8 H GLY 8 15.839 3.786 4.610 38 HA2 GLY 8 1HA GLY 8 14.633 5.197 3.222 39 HA3 GLY 8 2HA GLY 8 14.409 3.897 2.051 40 H ALA 9 H ALA 9 12.558 3.186 1.922 41 HA ALA 9 HA ALA 9 10.456 2.578 2.129 42 HB1 ALA 9 1HB ALA 9 9.465 1.837 4.194 43 HB2 ALA 9 2HB ALA 9 11.187 1.455 4.302 44 HB3 ALA 9 3HB ALA 9 10.529 2.874 5.138 45 HA PRO 10 HA PRO 10 8.253 6.492 2.476 46 HB3 PRO 10 2HB PRO 10 6.580 5.561 1.158 47 HG3 PRO 10 2HG PRO 10 5.978 3.360 1.325 48 HD3 PRO 10 2HD PRO 10 8.226 3.117 1.184 49 H CYS 11 H CYS 11 7.312 7.826 4.152 50 HA CYS 11 HA CYS 11 6.769 6.652 6.801 51 HB3 CYS 11 2HB CYS 11 8.172 8.396 7.889 52 HG CYS 11 HG CYS 11 10.143 7.013 5.718 53 H ALA 12 H ALA 12 6.107 8.601 8.230 54 HA ALA 12 HA ALA 12 4.390 9.928 8.770 55 HB1 ALA 12 1HB ALA 12 6.226 11.494 8.211 56 HB2 ALA 12 2HB ALA 12 5.536 11.677 6.575 57 HB3 ALA 12 3HB ALA 12 4.612 12.188 8.003 58 H ILE 13 H ILE 13 3.473 7.860 7.215 59 HA ILE 13 HA ILE 13 1.964 8.657 4.961 60 HB ILE 13 HB ILE 13 1.899 6.270 6.876 61 HG13 ILE 13 2HG1 ILE 13 3.598 7.112 4.654 62 HG21 ILE 13 1HG2 ILE 13 0.691 5.110 4.920 63 HG22 ILE 13 2HG2 ILE 13 -0.240 6.107 6.046 64 HG23 ILE 13 3HG2 ILE 13 0.177 6.748 4.457 65 HD11 ILE 13 3HD1 ILE 13 4.407 6.095 6.704 66 HD12 ILE 13 1HD1 ILE 13 3.561 4.576 6.305 67 HD13 ILE 13 2HD1 ILE 13 4.895 5.160 5.275 68 H LYS 14 H LYS 14 0.178 9.806 4.905 69 HA LYS 14 HA LYS 14 -1.694 9.803 7.255 70 HB3 LYS 14 2HB LYS 14 -2.497 11.971 6.414 71 HG3 LYS 14 2HG LYS 14 0.504 11.900 6.989 72 HD3 LYS 14 2HD LYS 14 -1.592 14.068 7.286 73 HE3 LYS 14 2HE LYS 14 -0.359 13.854 9.429 74 HZ1 LYS 14 3HZ LYS 14 1.737 12.999 8.799 75 HZ2 LYS 14 1HZ LYS 14 2.042 14.556 9.288 76 HZ3 LYS 14 2HZ LYS 14 2.008 14.170 7.693 77 H ILE 15 H ILE 15 -3.677 9.129 6.875 78 HA ILE 15 HA ILE 15 -4.714 8.803 4.143 79 HB ILE 15 HB ILE 15 -4.694 6.454 6.083 80 HG13 ILE 15 2HG1 ILE 15 -2.466 6.836 5.323 81 HG21 ILE 15 1HG2 ILE 15 -6.653 6.596 4.494 82 HG22 ILE 15 2HG2 ILE 15 -5.529 6.551 3.150 83 HG23 ILE 15 3HG2 ILE 15 -5.658 5.169 4.259 84 HD11 ILE 15 3HD1 ILE 15 -3.380 4.419 5.244 85 HD12 ILE 15 1HD1 ILE 15 -3.389 4.664 3.472 86 HD13 ILE 15 2HD1 ILE 15 -1.872 4.766 4.363 87 H SER 16 H SER 16 -6.675 9.460 4.107 88 HA SER 16 HA SER 16 -8.555 9.000 6.324 89 HB3 SER 16 2HB SER 16 -9.356 11.371 6.295 90 HG SER 16 HG SER 16 -7.777 12.140 7.561 91 H LYS 17 H LYS 17 -10.787 9.455 5.768 92 HA LYS 17 HA LYS 17 -11.420 8.749 2.963 93 HB3 LYS 17 2HB LYS 17 -12.996 9.067 5.544 94 HG3 LYS 17 2HG LYS 17 -14.579 9.572 3.678 95 HD3 LYS 17 2HD LYS 17 -13.461 6.965 2.646 96 HE3 LYS 17 2HE LYS 17 -16.283 7.970 2.146 97 HZ1 LYS 17 3HZ LYS 17 -15.357 6.911 0.240 98 HZ2 LYS 17 1HZ LYS 17 -16.356 5.799 0.955 99 HZ3 LYS 17 2HZ LYS 17 -14.739 5.671 1.122 100 H SER 18 H SER 18 -12.634 10.120 1.521 101 HA SER 18 HA SER 18 -13.636 12.685 2.361 102 HB3 SER 18 2HB SER 18 -12.188 13.850 0.572 103 HG SER 18 HG SER 18 -11.496 12.817 3.049 104 HA PRO 19 HA PRO 19 -16.634 11.571 -0.392 105 HB3 PRO 19 2HB PRO 19 -17.692 13.589 -0.053 106 HG3 PRO 19 2HG PRO 19 -16.460 15.647 -0.120 107 HD3 PRO 19 2HD PRO 19 -15.371 14.208 1.424 108 H ASP 20 H ASP 20 -13.768 12.584 -1.981 109 HA ASP 20 HA ASP 20 -14.810 11.866 -4.692 110 HB3 ASP 20 2HB ASP 20 -12.533 13.621 -4.798 111 H GLY 21 H GLY 21 -13.059 10.490 -2.388 112 HA2 GLY 21 1HA GLY 21 -11.725 8.445 -3.386 113 HA3 GLY 21 2HA GLY 21 -10.633 9.776 -3.847 114 H ALA 22 H ALA 22 -9.457 8.137 -2.115 115 HA ALA 22 HA ALA 22 -10.030 9.083 0.648 116 HB1 ALA 22 1HB ALA 22 -8.455 7.292 1.306 117 HB2 ALA 22 2HB ALA 22 -9.850 6.679 0.404 118 HB3 ALA 22 3HB ALA 22 -8.282 6.836 -0.414 119 H HIS 23 H HIS 23 -8.669 10.466 1.616 120 HA HIS 23 HA HIS 23 -6.660 11.993 0.097 121 HB3 HIS 23 2HB HIS 23 -6.287 12.759 2.630 122 HD1 HIS 23 1HD HIS 23 -8.110 14.802 3.551 123 HD2 HIS 23 2HD HIS 23 -8.166 13.583 -0.481 124 HE1 HIS 23 1HE HIS 23 -9.153 16.739 2.200 125 H LEU 24 H LEU 24 -4.787 10.892 -0.303 126 HA LEU 24 HA LEU 24 -3.500 9.450 1.956 127 HB3 LEU 24 2HB LEU 24 -2.395 8.175 0.008 128 HG LEU 24 HG LEU 24 -4.023 7.357 1.756 129 HD11 LEU 24 1HD1 LEU 24 -5.867 7.327 -0.653 130 HD12 LEU 24 2HD1 LEU 24 -6.148 8.092 0.924 131 HD13 LEU 24 3HD1 LEU 24 -6.155 6.345 0.801 132 HD21 LEU 24 3HD2 LEU 24 -3.614 5.763 -0.744 133 HD22 LEU 24 1HD2 LEU 24 -4.306 5.100 0.748 134 HD23 LEU 24 2HD2 LEU 24 -2.690 5.732 0.801 135 H THR 25 H THR 25 -1.549 10.316 2.494 136 HA THR 25 HA THR 25 0.132 11.287 0.321 137 HB THR 25 HB THR 25 0.855 13.251 1.370 138 HG1 THR 25 1HG THR 25 -0.013 14.100 3.233 139 HG21 THR 25 3HG2 THR 25 -1.331 13.492 0.139 140 HG22 THR 25 1HG2 THR 25 -1.085 14.717 1.386 141 HG23 THR 25 2HG2 THR 25 -2.165 13.356 1.720 142 H TRP 26 H TRP 26 2.354 11.120 0.823 143 HA TRP 26 HA TRP 26 3.147 9.969 3.440 144 HB3 TRP 26 2HB TRP 26 4.028 8.024 2.607 145 HD1 TRP 26 HD TRP 26 1.673 7.450 3.288 146 HE1 TRP 26 1HE TRP 26 -0.478 6.643 2.099 147 HE3 TRP 26 3HE TRP 26 2.966 8.649 -1.448 148 HZ2 TRP 26 2HZ TRP 26 -1.348 6.400 -0.593 149 HZ3 TRP 26 3HZ TRP 26 1.359 8.176 -3.335 150 HH2 TRP 26 HH TRP 26 -0.844 7.076 -2.830 151 H GLU 27 H GLU 27 5.822 9.806 3.232 152 HA GLU 27 HA GLU 27 6.752 12.112 1.603 153 HB3 GLU 27 2HB GLU 27 8.069 12.441 4.049 154 HG3 GLU 27 2HG GLU 27 6.007 14.216 4.387 155 HA PRO 28 HA PRO 28 10.408 9.709 0.997 156 HB3 PRO 28 2HB PRO 28 11.267 11.323 -0.396 157 HG3 PRO 28 2HG PRO 28 10.791 13.611 -0.014 158 HD3 PRO 28 2HD PRO 28 8.740 12.459 0.086 159 HA PRO 29 HA PRO 29 12.432 9.095 4.924 160 HB3 PRO 29 2HB PRO 29 12.853 6.973 4.138 161 HG3 PRO 29 2HG PRO 29 13.442 6.579 1.875 162 HD3 PRO 29 2HD PRO 29 11.599 7.937 1.547 163 H SER 30 H SER 30 14.873 9.166 5.868 164 HA SER 30 HA SER 30 15.996 11.771 5.000 165 HB3 SER 30 2HB SER 30 15.039 12.602 6.875 166 HG SER 30 HG SER 30 13.377 11.216 7.030 167 H VAL 31 H VAL 31 17.136 8.992 4.850 168 HA VAL 31 HA VAL 31 19.302 9.223 6.840 169 HB VAL 31 HB VAL 31 18.519 6.762 5.278 170 HG11 VAL 31 1HG1 VAL 31 20.818 6.671 6.262 171 HG12 VAL 31 2HG1 VAL 31 20.136 7.090 7.845 172 HG13 VAL 31 3HG1 VAL 31 19.708 5.557 7.067 173 HG21 VAL 31 3HG2 VAL 31 17.357 6.079 7.369 174 HG22 VAL 31 1HG2 VAL 31 17.669 7.678 8.062 175 HG23 VAL 31 2HG2 VAL 31 16.603 7.497 6.652 176 H THR 32 H THR 32 19.163 8.324 3.298 177 HA THR 32 HA THR 32 21.749 9.679 2.948 178 HB THR 32 HB THR 32 22.551 7.925 1.447 179 HG1 THR 32 1HG THR 32 21.470 6.208 0.952 180 HG21 THR 32 3HG2 THR 32 23.105 7.737 3.900 181 HG22 THR 32 1HG2 THR 32 23.155 6.204 3.008 182 HG23 THR 32 2HG2 THR 32 21.768 6.585 4.060 183 H SER 33 H SER 33 21.982 10.105 0.413 184 HA SER 33 HA SER 33 19.836 11.561 -0.496 185 HB3 SER 33 2HB SER 33 20.904 11.476 -2.703 186 HG SER 33 HG SER 33 23.237 11.545 -1.819 187 H GLY 34 H GLY 34 20.436 8.097 -1.219 188 HA2 GLY 34 1HA GLY 34 18.995 6.427 -1.871 189 HA3 GLY 34 2HA GLY 34 17.636 7.544 -1.695 190 H LYS 35 H LYS 35 17.899 5.723 -3.901 191 HA LYS 35 HA LYS 35 17.581 7.810 -5.980 192 HB3 LYS 35 2HB LYS 35 18.230 6.103 -7.676 193 HG3 LYS 35 2HG LYS 35 20.645 6.682 -5.938 194 HD3 LYS 35 2HD LYS 35 20.555 5.590 -8.283 195 HE3 LYS 35 2HE LYS 35 20.420 8.532 -9.143 196 HZ1 LYS 35 3HZ LYS 35 19.883 6.034 -10.627 197 HZ2 LYS 35 1HZ LYS 35 21.191 7.005 -10.878 198 HZ3 LYS 35 2HZ LYS 35 19.682 7.531 -11.233 199 H ILE 36 H ILE 36 15.508 7.780 -5.104 200 HA ILE 36 HA ILE 36 13.703 5.493 -5.584 201 HB ILE 36 HB ILE 36 13.364 8.323 -4.518 202 HG13 ILE 36 2HG1 ILE 36 12.750 5.547 -3.392 203 HG21 ILE 36 1HG2 ILE 36 11.115 6.383 -5.199 204 HG22 ILE 36 2HG2 ILE 36 10.961 7.889 -4.271 205 HG23 ILE 36 3HG2 ILE 36 11.421 7.973 -5.963 206 HD11 ILE 36 3HD1 ILE 36 15.099 6.014 -2.930 207 HD12 ILE 36 1HD1 ILE 36 14.711 7.685 -2.434 208 HD13 ILE 36 2HD1 ILE 36 14.180 6.307 -1.452 209 H ILE 37 H ILE 37 12.212 5.526 -7.339 210 HA ILE 37 HA ILE 37 12.524 7.623 -9.379 211 HB ILE 37 HB ILE 37 12.376 5.790 -11.078 212 HG13 ILE 37 2HG1 ILE 37 11.662 3.932 -9.620 213 HG21 ILE 37 1HG2 ILE 37 14.942 5.630 -9.475 214 HG22 ILE 37 2HG2 ILE 37 14.725 5.473 -11.233 215 HG23 ILE 37 3HG2 ILE 37 14.484 7.038 -10.455 216 HD11 ILE 37 3HD1 ILE 37 12.982 3.365 -11.730 217 HD12 ILE 37 1HD1 ILE 37 14.412 3.193 -10.654 218 HD13 ILE 37 2HD1 ILE 37 13.020 2.135 -10.448 219 H GLU 38 H GLU 38 10.472 5.231 -7.637 220 HA GLU 38 HA GLU 38 8.186 6.796 -8.336 221 HB3 GLU 38 2HB GLU 38 7.699 3.918 -9.016 222 HG3 GLU 38 2HG GLU 38 6.466 6.448 -9.626 223 H TYR 39 H TYR 39 6.223 5.019 -7.349 224 HA TYR 39 HA TYR 39 7.348 3.479 -5.128 225 HB3 TYR 39 2HB TYR 39 5.240 4.111 -3.800 226 HD1 TYR 39 2HD TYR 39 7.209 7.134 -4.909 227 HD2 TYR 39 1HD TYR 39 6.492 4.167 -1.851 228 HE1 TYR 39 2HE TYR 39 8.820 8.264 -3.433 229 HE2 TYR 39 1HE TYR 39 8.213 5.254 -0.413 230 HH TYR 39 HH TYR 39 9.977 8.151 -1.401 231 H SER 40 H SER 40 5.731 1.834 -4.486 232 HA SER 40 HA SER 40 3.577 1.362 -6.447 233 HB3 SER 40 2HB SER 40 3.995 -1.028 -6.480 234 HG SER 40 HG SER 40 5.025 0.464 -8.030 235 H VAL 41 H VAL 41 1.756 0.211 -5.368 236 HA VAL 41 HA VAL 41 1.968 -0.001 -2.481 237 HB VAL 41 HB VAL 41 1.741 2.442 -3.199 238 HG11 VAL 41 1HG1 VAL 41 -0.309 1.966 -4.669 239 HG12 VAL 41 2HG1 VAL 41 -1.171 2.336 -3.195 240 HG13 VAL 41 3HG1 VAL 41 0.013 3.502 -3.814 241 HG21 VAL 41 3HG2 VAL 41 0.993 1.204 -0.850 242 HG22 VAL 41 1HG2 VAL 41 0.662 2.941 -1.136 243 HG23 VAL 41 2HG2 VAL 41 -0.566 1.686 -1.315 244 H TYR 42 H TYR 42 0.794 -1.539 -1.745 245 HA TYR 42 HA TYR 42 -1.053 -2.742 -3.677 246 HB3 TYR 42 2HB TYR 42 -0.574 -4.789 -2.358 247 HD1 TYR 42 2HD TYR 42 0.473 -4.537 -4.834 248 HD2 TYR 42 1HD TYR 42 2.561 -3.822 -1.140 249 HE1 TYR 42 2HE TYR 42 2.648 -4.686 -6.007 250 HE2 TYR 42 1HE TYR 42 4.707 -3.917 -2.333 251 HH TYR 42 HH TYR 42 5.758 -4.149 -4.372 252 H LEU 43 H LEU 43 -3.147 -2.932 -3.328 253 HA LEU 43 HA LEU 43 -4.467 -1.855 -0.835 254 HB3 LEU 43 2HB LEU 43 -5.385 -1.966 -3.748 255 HG LEU 43 HG LEU 43 -7.178 -2.100 -1.774 256 HD11 LEU 43 1HD1 LEU 43 -6.263 -0.297 -0.463 257 HD12 LEU 43 2HD1 LEU 43 -7.929 0.034 -0.994 258 HD13 LEU 43 3HD1 LEU 43 -6.568 0.851 -1.797 259 HD21 LEU 43 3HD2 LEU 43 -8.637 -1.713 -3.339 260 HD22 LEU 43 1HD2 LEU 43 -7.390 -1.156 -4.428 261 HD23 LEU 43 2HD2 LEU 43 -8.306 -0.010 -3.388 262 H ALA 44 H ALA 44 -5.853 -3.491 0.303 263 HA ALA 44 HA ALA 44 -6.120 -6.109 -0.949 264 HB1 ALA 44 1HB ALA 44 -6.375 -5.694 1.484 265 HB2 ALA 44 2HB ALA 44 -7.866 -4.814 1.097 266 HB3 ALA 44 3HB ALA 44 -7.751 -6.547 0.749 267 H ILE 45 H ILE 45 -7.672 -6.996 -2.252 268 HA ILE 45 HA ILE 45 -10.088 -5.525 -2.870 269 HB ILE 45 HB ILE 45 -9.748 -5.762 -5.301 270 HG13 ILE 45 2HG1 ILE 45 -7.718 -7.591 -4.733 271 HG21 ILE 45 1HG2 ILE 45 -8.147 -3.999 -5.751 272 HG22 ILE 45 2HG2 ILE 45 -9.194 -3.603 -4.375 273 HG23 ILE 45 3HG2 ILE 45 -7.501 -4.111 -4.113 274 HD11 ILE 45 3HD1 ILE 45 -7.182 -7.352 -7.185 275 HD12 ILE 45 1HD1 ILE 45 -8.916 -7.542 -6.819 276 HD13 ILE 45 2HD1 ILE 45 -8.263 -5.956 -7.216 277 H GLN 46 H GLN 46 -11.388 -6.932 -4.459 278 HA GLN 46 HA GLN 46 -11.639 -9.716 -3.732 279 HB3 GLN 46 2HB GLN 46 -13.064 -9.648 -5.889 280 HG3 GLN 46 2HG GLN 46 -14.563 -7.703 -4.548 281 HE21 GLN 46 1HE2 GLN 46 -14.144 -10.680 -2.718 282 HE22 GLN 46 2HE2 GLN 46 -15.499 -11.521 -3.502 283 H SER 47 H SER 47 -9.254 -10.007 -4.068 284 HA SER 47 HA SER 47 -8.982 -11.781 -6.367 285 HB3 SER 47 2HB SER 47 -6.555 -10.872 -6.774 286 HG SER 47 HG SER 47 -8.206 -10.813 -8.317 287 H SER 48 H SER 48 -7.571 -10.442 -3.381 288 HA SER 48 HA SER 48 -6.645 -11.450 -1.635 289 HB3 SER 48 2HB SER 48 -7.653 -13.510 -0.987 290 HG SER 48 HG SER 48 -9.893 -12.992 -1.866 291 H GLN 49 H GLN 49 -5.070 -11.812 -4.368 292 HA GLN 49 HA GLN 49 -2.778 -13.126 -3.265 293 HB3 GLN 49 2HB GLN 49 -4.488 -14.577 -5.308 294 HG3 GLN 49 2HG GLN 49 -2.458 -16.223 -5.357 295 HE21 GLN 49 1HE2 GLN 49 -4.096 -15.711 -7.210 296 HE22 GLN 49 2HE2 GLN 49 -3.417 -15.010 -8.647 297 H ALA 50 H ALA 50 -1.048 -12.191 -4.204 298 HA ALA 50 HA ALA 50 -1.025 -11.464 -7.000 299 HB1 ALA 50 1HB ALA 50 -0.314 -9.147 -6.656 300 HB2 ALA 50 2HB ALA 50 -1.917 -9.418 -5.992 301 HB3 ALA 50 3HB ALA 50 -0.515 -9.328 -4.892 302 H SER 51 H SER 51 1.365 -10.181 -7.199 303 HA SER 51 HA SER 51 3.461 -11.423 -5.688 304 HB3 SER 51 2HB SER 51 4.595 -12.066 -7.861 305 HG SER 51 HG SER 51 3.753 -13.677 -6.658 306 H GLY 52 H GLY 52 4.900 -9.844 -5.475 307 HA2 GLY 52 1HA GLY 52 5.179 -7.577 -7.387 308 HA3 GLY 52 2HA GLY 52 4.606 -7.207 -5.767 309 H GLU 53 H GLU 53 5.938 -7.711 -4.032 310 HA GLU 53 HA GLU 53 8.719 -7.035 -4.391 311 HB3 GLU 53 2HB GLU 53 8.138 -6.261 -2.355 312 HG3 GLU 53 2HG GLU 53 6.262 -8.612 -2.014 313 HA PRO 54 HA PRO 54 10.450 -11.096 -4.860 314 HB3 PRO 54 2HB PRO 54 12.491 -10.010 -5.232 315 HG3 PRO 54 2HG PRO 54 13.200 -8.160 -3.813 316 HD3 PRO 54 2HD PRO 54 11.111 -7.616 -4.804 317 H LYS 55 H LYS 55 10.608 -13.034 -3.689 318 HA LYS 55 HA LYS 55 9.782 -12.889 -0.850 319 HB3 LYS 55 2HB LYS 55 9.738 -15.259 -2.740 320 HG3 LYS 55 2HG LYS 55 7.461 -15.273 -1.149 321 HD3 LYS 55 2HD LYS 55 8.421 -17.177 0.099 322 HE3 LYS 55 2HE LYS 55 9.136 -17.284 -2.860 323 HZ1 LYS 55 3HZ LYS 55 7.948 -19.487 -1.353 324 HZ2 LYS 55 1HZ LYS 55 9.592 -19.222 -1.242 325 HZ3 LYS 55 2HZ LYS 55 8.888 -19.528 -2.674 326 H SER 56 H SER 56 12.754 -12.960 -2.140 327 HA SER 56 HA SER 56 14.010 -15.336 -1.432 328 HB3 SER 56 2HB SER 56 16.053 -14.019 -1.377 329 HG SER 56 HG SER 56 15.941 -13.562 -3.416 330 H SER 57 H SER 57 13.115 -12.645 0.748 331 HA SER 57 HA SER 57 13.634 -14.482 3.011 332 HB3 SER 57 2HB SER 57 14.566 -11.604 2.880 333 HG SER 57 HG SER 57 15.184 -11.891 4.956 334 H THR 58 H THR 58 12.281 -11.130 2.312 335 HA THR 58 HA THR 58 10.509 -11.430 4.514 336 HB THR 58 HB THR 58 11.238 -9.260 3.659 337 HG1 THR 58 1HG THR 58 9.590 -8.596 4.588 338 HG21 THR 58 3HG2 THR 58 10.153 -8.200 1.739 339 HG22 THR 58 1HG2 THR 58 9.407 -9.738 1.281 340 HG23 THR 58 2HG2 THR 58 11.179 -9.560 1.253 341 HA PRO 59 HA PRO 59 7.540 -14.086 2.608 342 HB3 PRO 59 2HB PRO 59 7.024 -14.600 4.794 343 HG3 PRO 59 2HG PRO 59 6.754 -12.903 6.440 344 HD3 PRO 59 2HD PRO 59 8.874 -12.599 5.548 345 H ALA 60 H ALA 60 7.598 -12.547 0.845 346 HA ALA 60 HA ALA 60 5.693 -10.504 0.345 347 HB1 ALA 60 1HB ALA 60 7.904 -10.631 -0.690 348 HB2 ALA 60 2HB ALA 60 7.486 -12.173 -1.479 349 HB3 ALA 60 3HB ALA 60 6.675 -10.682 -1.959 350 H GLN 61 H GLN 61 4.137 -12.715 1.160 351 HA GLN 61 HA GLN 61 2.745 -13.774 -1.282 352 HB3 GLN 61 2HB GLN 61 2.625 -15.945 -0.110 353 HG3 GLN 61 2HG GLN 61 5.368 -14.833 -0.700 354 HE21 GLN 61 1HE2 GLN 61 5.246 -15.917 1.960 355 HE22 GLN 61 2HE2 GLN 61 6.292 -17.291 1.928 356 H LEU 62 H LEU 62 1.352 -11.900 -0.660 357 HA LEU 62 HA LEU 62 -0.437 -12.524 1.662 358 HB3 LEU 62 2HB LEU 62 -0.526 -10.344 2.377 359 HG LEU 62 HG LEU 62 2.324 -10.491 1.277 360 HD11 LEU 62 1HD1 LEU 62 1.288 -8.521 3.332 361 HD12 LEU 62 2HD1 LEU 62 1.661 -8.136 1.617 362 HD13 LEU 62 3HD1 LEU 62 2.938 -8.679 2.696 363 HD21 LEU 62 3HD2 LEU 62 1.208 -10.828 4.105 364 HD22 LEU 62 1HD2 LEU 62 2.916 -10.936 3.604 365 HD23 LEU 62 2HD2 LEU 62 1.754 -12.150 3.065 366 H ALA 63 H ALA 63 -2.330 -10.684 1.241 367 HA ALA 63 HA ALA 63 -3.294 -11.187 -1.427 368 HB1 ALA 63 1HB ALA 63 -5.403 -10.023 -0.590 369 HB2 ALA 63 2HB ALA 63 -4.920 -11.366 0.448 370 HB3 ALA 63 3HB ALA 63 -4.564 -9.706 0.941 371 H PHE 64 H PHE 64 -4.664 -8.703 -1.634 372 HA PHE 64 HA PHE 64 -4.680 -6.603 -2.184 373 HB3 PHE 64 2HB PHE 64 -2.913 -5.094 -1.470 374 HD1 PHE 64 1HD PHE 64 -4.776 -6.790 0.472 375 HD2 PHE 64 2HD PHE 64 -0.498 -6.393 0.166 376 HE1 PHE 64 1HE PHE 64 -4.551 -7.621 2.778 377 HE2 PHE 64 2HE PHE 64 -0.305 -7.339 2.438 378 HZ PHE 64 HZ PHE 64 -2.250 -8.017 3.694 379 H MET 65 H MET 65 -4.052 -5.072 -3.910 380 HA MET 65 HA MET 65 -2.420 -6.340 -6.060 381 HB3 MET 65 2HB MET 65 -5.027 -6.365 -6.371 382 HG3 MET 65 2HG MET 65 -4.387 -3.501 -7.214 383 HE1 MET 65 3HE MET 65 -7.858 -2.677 -8.898 384 HE2 MET 65 1HE MET 65 -7.220 -2.395 -7.265 385 HE3 MET 65 2HE MET 65 -6.214 -2.052 -8.699 386 H ARG 66 H ARG 66 -1.281 -4.961 -7.327 387 HA ARG 66 HA ARG 66 -0.222 -2.610 -6.062 388 HB3 ARG 66 2HB ARG 66 1.128 -4.237 -7.392 389 HG3 ARG 66 2HG ARG 66 0.311 -3.349 -10.098 390 HD3 ARG 66 2HD ARG 66 0.983 -5.945 -8.734 391 HE ARG 66 HE ARG 66 -0.999 -5.848 -10.806 392 HH11 ARG 66 1HH1 ARG 66 1.987 -7.616 -10.105 393 HH12 ARG 66 2HH1 ARG 66 1.325 -9.171 -10.471 394 HH21 ARG 66 1HH2 ARG 66 -1.781 -7.923 -11.566 395 HH22 ARG 66 2HH2 ARG 66 -0.801 -9.338 -11.331 396 H VAL 67 H VAL 67 -1.591 -1.093 -5.880 397 HA VAL 67 HA VAL 67 -3.325 -0.299 -8.108 398 HB VAL 67 HB VAL 67 -3.725 -0.509 -5.370 399 HG11 VAL 67 1HG1 VAL 67 -3.420 2.374 -5.530 400 HG12 VAL 67 2HG1 VAL 67 -4.086 1.383 -4.224 401 HG13 VAL 67 3HG1 VAL 67 -2.400 1.150 -4.727 402 HG21 VAL 67 3HG2 VAL 67 -5.236 -0.745 -7.195 403 HG22 VAL 67 1HG2 VAL 67 -5.835 -0.081 -5.714 404 HG23 VAL 67 2HG2 VAL 67 -5.536 1.014 -7.117 405 H TYR 68 H TYR 68 -0.451 1.076 -6.464 406 HA TYR 68 HA TYR 68 -0.823 3.771 -7.032 407 HB3 TYR 68 2HB TYR 68 1.825 2.222 -6.981 408 HD1 TYR 68 2HD TYR 68 2.658 3.908 -8.904 409 HD2 TYR 68 1HD TYR 68 1.377 5.079 -4.952 410 HE1 TYR 68 2HE TYR 68 3.686 6.123 -9.230 411 HE2 TYR 68 1HE TYR 68 2.424 7.231 -5.246 412 HH TYR 68 HH TYR 68 3.717 8.335 -8.392 413 H CYS 69 H CYS 69 -0.743 5.007 -8.853 414 HA CYS 69 HA CYS 69 0.693 4.166 -11.244 415 HB3 CYS 69 2HB CYS 69 -1.480 2.989 -11.461 416 HG CYS 69 HG CYS 69 -2.652 6.087 -11.089 417 H GLY 70 H GLY 70 1.002 6.384 -9.397 418 HA2 GLY 70 1HA GLY 70 -0.368 8.646 -10.822 419 HA3 GLY 70 2HA GLY 70 0.257 8.698 -9.187 420 HA PRO 71 HA PRO 71 3.700 10.134 -11.970 421 HB3 PRO 71 2HB PRO 71 2.726 11.264 -13.714 422 HG3 PRO 71 2HG PRO 71 0.568 12.151 -13.529 423 HD3 PRO 71 2HD PRO 71 0.157 10.053 -12.655 424 H SER 72 H SER 72 1.657 12.502 -10.108 425 HA SER 72 HA SER 72 3.799 13.466 -8.494 426 HB3 SER 72 2HB SER 72 2.080 14.934 -8.381 427 HG SER 72 HG SER 72 0.101 12.847 -8.443 428 HA PRO 73 HA PRO 73 4.142 9.974 -5.819 429 HB3 PRO 73 2HB PRO 73 6.150 10.905 -5.186 430 HG3 PRO 73 2HG PRO 73 6.347 13.221 -4.734 431 HD3 PRO 73 2HD PRO 73 5.458 13.088 -6.908 432 H SER 74 H SER 74 1.790 12.388 -5.215 433 HA SER 74 HA SER 74 0.709 10.985 -2.836 434 HB3 SER 74 2HB SER 74 0.941 13.322 -2.508 435 HG SER 74 HG SER 74 -0.650 13.911 -4.773 436 H CYS 75 H CYS 75 0.740 9.486 -5.133 437 HA CYS 75 HA CYS 75 -1.310 9.616 -6.960 438 HB3 CYS 75 2HB CYS 75 -0.383 7.109 -5.553 439 HG CYS 75 HG CYS 75 -2.435 6.316 -6.792 440 H LEU 76 H LEU 76 -3.475 9.906 -6.616 441 HA LEU 76 HA LEU 76 -4.450 9.341 -4.013 442 HB3 LEU 76 2HB LEU 76 -6.234 10.102 -6.381 443 HG LEU 76 HG LEU 76 -7.049 11.891 -4.897 444 HD11 LEU 76 1HD1 LEU 76 -7.383 9.206 -3.543 445 HD12 LEU 76 2HD1 LEU 76 -8.291 9.758 -4.973 446 HD13 LEU 76 3HD1 LEU 76 -8.449 10.605 -3.428 447 HD21 LEU 76 3HD2 LEU 76 -5.511 10.575 -2.615 448 HD22 LEU 76 1HD2 LEU 76 -6.523 12.021 -2.548 449 HD23 LEU 76 2HD2 LEU 76 -5.000 12.046 -3.459 450 H VAL 77 H VAL 77 -5.761 7.619 -3.276 451 HA VAL 77 HA VAL 77 -6.455 5.486 -5.204 452 HB VAL 77 HB VAL 77 -6.514 5.580 -2.184 453 HG11 VAL 77 1HG1 VAL 77 -7.644 3.251 -2.480 454 HG12 VAL 77 2HG1 VAL 77 -8.626 4.688 -2.659 455 HG13 VAL 77 3HG1 VAL 77 -8.107 3.879 -4.121 456 HG21 VAL 77 3HG2 VAL 77 -5.213 3.614 -4.220 457 HG22 VAL 77 1HG2 VAL 77 -4.414 4.773 -3.151 458 HG23 VAL 77 2HG2 VAL 77 -5.262 3.388 -2.490 459 H GLN 78 H GLN 78 -7.860 6.421 -6.503 460 HA GLN 78 HA GLN 78 -10.023 8.112 -5.580 461 HB3 GLN 78 2HB GLN 78 -10.703 8.141 -7.923 462 HG3 GLN 78 2HG GLN 78 -7.667 8.162 -7.765 463 HE21 GLN 78 1HE2 GLN 78 -7.647 11.030 -8.715 464 HE22 GLN 78 2HE2 GLN 78 -8.176 10.977 -10.365 465 H SER 79 H SER 79 -12.269 7.604 -6.113 466 HA SER 79 HA SER 79 -13.284 5.508 -4.634 467 HB3 SER 79 2HB SER 79 -14.629 6.839 -7.009 468 HG SER 79 HG SER 79 -16.406 6.525 -5.916 469 H SER 80 H SER 80 -12.707 5.607 -8.196 470 HA SER 80 HA SER 80 -13.981 3.424 -9.089 471 HB3 SER 80 2HB SER 80 -12.669 3.774 -10.995 472 HG SER 80 HG SER 80 -12.391 5.940 -11.112 473 H SER 81 H SER 81 -10.829 3.486 -7.411 474 HA SER 81 HA SER 81 -10.375 0.590 -7.807 475 HB3 SER 81 2HB SER 81 -8.394 0.992 -6.416 476 HG SER 81 HG SER 81 -8.948 2.688 -8.589 477 H LEU 82 H LEU 82 -11.623 2.798 -5.289 478 HA LEU 82 HA LEU 82 -11.577 0.856 -3.159 479 HB3 LEU 82 2HB LEU 82 -13.228 2.430 -2.074 480 HG LEU 82 HG LEU 82 -10.682 3.668 -3.215 481 HD11 LEU 82 1HD1 LEU 82 -10.894 5.344 -1.436 482 HD12 LEU 82 2HD1 LEU 82 -12.458 4.626 -0.952 483 HD13 LEU 82 3HD1 LEU 82 -12.272 5.406 -2.546 484 HD21 LEU 82 3HD2 LEU 82 -11.295 2.339 -0.529 485 HD22 LEU 82 1HD2 LEU 82 -9.812 3.244 -0.880 486 HD23 LEU 82 2HD2 LEU 82 -10.160 1.757 -1.767 487 H SER 83 H SER 83 -13.841 1.501 -5.801 488 HA SER 83 HA SER 83 -16.000 -0.079 -4.937 489 HB3 SER 83 2HB SER 83 -16.489 -0.238 -7.360 490 HG SER 83 HG SER 83 -16.995 1.636 -6.335 491 H ASN 84 H ASN 84 -12.792 -1.254 -5.538 492 HA ASN 84 HA ASN 84 -13.874 -4.042 -5.780 493 HB3 ASN 84 2HB ASN 84 -11.647 -4.637 -6.653 494 HD21 ASN 84 1HD2 ASN 84 -11.870 -1.544 -8.250 495 HD22 ASN 84 2HD2 ASN 84 -12.794 -2.047 -9.639 496 H ALA 85 H ALA 85 -12.670 -1.823 -3.506 497 HA ALA 85 HA ALA 85 -10.473 -3.287 -2.438 498 HB1 ALA 85 1HB ALA 85 -10.601 -0.845 -2.254 499 HB2 ALA 85 2HB ALA 85 -12.074 -0.995 -1.252 500 HB3 ALA 85 3HB ALA 85 -10.515 -1.620 -0.671 501 H HIS 86 H HIS 86 -10.441 -4.276 -0.388 502 HA HIS 86 HA HIS 86 -13.036 -4.985 0.877 503 HB3 HIS 86 2HB HIS 86 -11.728 -7.402 1.081 504 HD1 HIS 86 1HD HIS 86 -14.215 -8.358 1.383 505 HD2 HIS 86 2HD HIS 86 -13.523 -6.089 -2.143 506 HE1 HIS 86 1HE HIS 86 -16.355 -8.361 0.090 507 H ILE 87 H ILE 87 -12.968 -5.687 3.021 508 HA ILE 87 HA ILE 87 -10.753 -4.582 4.544 509 HB ILE 87 HB ILE 87 -13.592 -5.481 5.080 510 HG13 ILE 87 2HG1 ILE 87 -12.121 -2.844 5.481 511 HG21 ILE 87 1HG2 ILE 87 -13.294 -4.813 7.449 512 HG22 ILE 87 2HG2 ILE 87 -12.381 -6.254 7.015 513 HG23 ILE 87 3HG2 ILE 87 -11.535 -4.702 7.114 514 HD11 ILE 87 3HD1 ILE 87 -13.845 -1.896 4.033 515 HD12 ILE 87 1HD1 ILE 87 -12.778 -2.996 3.171 516 HD13 ILE 87 2HD1 ILE 87 -14.412 -3.549 3.641 517 H ASP 88 H ASP 88 -9.498 -5.695 5.919 518 HA ASP 88 HA ASP 88 -8.867 -8.365 5.217 519 HB3 ASP 88 2HB ASP 88 -7.636 -6.755 7.493 520 H TYR 89 H TYR 89 -11.026 -9.128 5.821 521 HA TYR 89 HA TYR 89 -11.608 -9.884 8.553 522 HB3 TYR 89 2HB TYR 89 -12.756 -11.825 7.036 523 HD1 TYR 89 1HD TYR 89 -12.954 -8.184 7.888 524 HD2 TYR 89 2HD TYR 89 -15.188 -11.740 6.866 525 HE1 TYR 89 1HE TYR 89 -14.995 -7.090 8.613 526 HE2 TYR 89 2HE TYR 89 -17.284 -10.589 7.513 527 HH TYR 89 HH TYR 89 -17.311 -7.138 8.385 528 H THR 90 H THR 90 -8.778 -10.487 7.046 529 HA THR 90 HA THR 90 -8.523 -13.234 8.018 530 HB THR 90 HB THR 90 -6.232 -11.600 6.902 531 HG1 THR 90 1HG THR 90 -8.544 -12.238 5.541 532 HG21 THR 90 3HG2 THR 90 -5.608 -13.799 5.984 533 HG22 THR 90 1HG2 THR 90 -7.122 -14.504 6.587 534 HG23 THR 90 2HG2 THR 90 -5.909 -13.922 7.740 535 H THR 91 H THR 91 -8.018 -9.862 9.028 536 HA THR 91 HA THR 91 -7.708 -10.956 11.707 537 HB THR 91 HB THR 91 -6.081 -9.182 12.377 538 HG1 THR 91 1HG THR 91 -5.557 -9.028 9.605 539 HG21 THR 91 3HG2 THR 91 -4.860 -11.127 10.397 540 HG22 THR 91 1HG2 THR 91 -5.317 -11.515 12.073 541 HG23 THR 91 2HG2 THR 91 -4.059 -10.298 11.745 542 H LYS 92 H LYS 92 -7.445 -7.439 10.703 543 HA LYS 92 HA LYS 92 -9.674 -6.944 12.450 544 HB3 LYS 92 2HB LYS 92 -7.324 -6.409 13.045 545 HG3 LYS 92 2HG LYS 92 -7.351 -4.223 10.923 546 HD3 LYS 92 2HD LYS 92 -4.924 -4.266 11.346 547 HE3 LYS 92 2HE LYS 92 -6.385 -2.702 12.628 548 HZ1 LYS 92 3HZ LYS 92 -6.164 -4.803 14.669 549 HZ2 LYS 92 1HZ LYS 92 -7.426 -3.789 14.370 550 HZ3 LYS 92 2HZ LYS 92 -6.103 -3.236 15.122 551 HA PRO 93 HA PRO 93 -11.729 -5.110 9.169 552 HB3 PRO 93 2HB PRO 93 -13.567 -5.098 10.492 553 HG3 PRO 93 2HG PRO 93 -13.431 -4.352 12.750 554 HD3 PRO 93 2HD PRO 93 -11.744 -6.000 12.549 555 H ALA 94 H ALA 94 -9.868 -4.205 8.152 556 HA ALA 94 HA ALA 94 -9.925 -1.336 7.693 557 HB1 ALA 94 1HB ALA 94 -8.038 -1.276 9.217 558 HB2 ALA 94 2HB ALA 94 -7.455 -2.876 8.687 559 HB3 ALA 94 3HB ALA 94 -7.293 -1.471 7.636 560 H ILE 95 H ILE 95 -9.009 -0.899 5.541 561 HA ILE 95 HA ILE 95 -9.155 -3.172 3.797 562 HB ILE 95 HB ILE 95 -8.707 -0.232 3.425 563 HG13 ILE 95 2HG1 ILE 95 -10.982 -1.224 3.814 564 HG21 ILE 95 1HG2 ILE 95 -8.593 -0.435 1.024 565 HG22 ILE 95 2HG2 ILE 95 -7.229 -1.301 1.705 566 HG23 ILE 95 3HG2 ILE 95 -8.626 -2.217 1.109 567 HD11 ILE 95 3HD1 ILE 95 -12.207 -0.168 2.026 568 HD12 ILE 95 1HD1 ILE 95 -10.850 0.877 2.460 569 HD13 ILE 95 2HD1 ILE 95 -10.786 -0.096 0.990 570 H ILE 96 H ILE 96 -6.639 -1.885 5.477 571 HA ILE 96 HA ILE 96 -4.429 -2.102 5.729 572 HB ILE 96 HB ILE 96 -4.721 -4.658 4.166 573 HG13 ILE 96 2HG1 ILE 96 -5.018 -5.787 6.229 574 HG21 ILE 96 1HG2 ILE 96 -2.486 -3.745 6.013 575 HG22 ILE 96 2HG2 ILE 96 -2.704 -5.394 5.406 576 HG23 ILE 96 3HG2 ILE 96 -2.370 -4.079 4.279 577 HD11 ILE 96 3HD1 ILE 96 -3.700 -4.481 7.862 578 HD12 ILE 96 1HD1 ILE 96 -4.887 -3.155 7.716 579 HD13 ILE 96 2HD1 ILE 96 -5.372 -4.709 8.396 580 H PHE 97 H PHE 97 -2.462 -1.464 4.754 581 HA PHE 97 HA PHE 97 -2.530 -0.969 1.848 582 HB3 PHE 97 2HB PHE 97 -1.439 1.345 2.481 583 HD1 PHE 97 1HD PHE 97 -2.918 0.677 0.325 584 HD2 PHE 97 2HD PHE 97 -4.314 2.594 3.909 585 HE1 PHE 97 1HE PHE 97 -4.702 1.766 -0.959 586 HE2 PHE 97 2HE PHE 97 -6.194 3.591 2.644 587 HZ PHE 97 HZ PHE 97 -6.408 3.191 0.201 588 H ARG 98 H ARG 98 -0.623 -1.387 1.003 589 HA ARG 98 HA ARG 98 1.780 -1.505 2.805 590 HB3 ARG 98 2HB ARG 98 2.371 -3.602 1.379 591 HG3 ARG 98 2HG ARG 98 -0.070 -3.988 3.153 592 HD3 ARG 98 2HD ARG 98 1.343 -5.880 2.079 593 HE ARG 98 HE ARG 98 3.540 -5.318 2.773 594 HH11 ARG 98 1HH1 ARG 98 1.511 -6.709 5.379 595 HH12 ARG 98 2HH1 ARG 98 2.885 -7.331 6.223 596 HH21 ARG 98 1HH2 ARG 98 5.289 -6.170 3.988 597 HH22 ARG 98 2HH2 ARG 98 5.048 -6.626 5.639 598 H ILE 99 H ILE 99 2.696 0.365 2.087 599 HA ILE 99 HA ILE 99 2.978 0.963 -0.825 600 HB ILE 99 HB ILE 99 4.089 2.542 1.471 601 HG13 ILE 99 2HG1 ILE 99 2.035 2.335 2.432 602 HG21 ILE 99 1HG2 ILE 99 2.877 3.465 -1.185 603 HG22 ILE 99 2HG2 ILE 99 3.819 4.437 -0.033 604 HG23 ILE 99 3HG2 ILE 99 4.588 3.151 -0.932 605 HD11 ILE 99 3HD1 ILE 99 0.859 4.400 2.240 606 HD12 ILE 99 1HD1 ILE 99 2.614 4.735 2.108 607 HD13 ILE 99 2HD1 ILE 99 1.574 4.715 0.653 608 H ALA 100 H ALA 100 5.155 1.081 -1.769 609 HA ALA 100 HA ALA 100 7.352 1.091 0.095 610 HB1 ALA 100 1HB ALA 100 8.638 -0.735 -1.218 611 HB2 ALA 100 2HB ALA 100 7.301 -1.352 -0.260 612 HB3 ALA 100 3HB ALA 100 7.121 -1.137 -2.028 613 H ALA 101 H ALA 101 9.327 1.636 -0.859 614 HA ALA 101 HA ALA 101 9.088 3.767 -2.849 615 HB1 ALA 101 1HB ALA 101 11.452 2.673 -1.248 616 HB2 ALA 101 2HB ALA 101 11.448 4.135 -2.251 617 HB3 ALA 101 3HB ALA 101 10.443 4.073 -0.800 618 H ARG 102 H ARG 102 9.292 3.374 -4.971 619 HA ARG 102 HA ARG 102 10.579 0.896 -5.904 620 HB3 ARG 102 2HB ARG 102 9.492 3.053 -7.758 621 HG3 ARG 102 2HG ARG 102 8.539 0.770 -8.697 622 HD3 ARG 102 2HD ARG 102 10.826 0.264 -9.783 623 HE ARG 102 HE ARG 102 10.276 3.003 -10.598 624 HH11 ARG 102 1HH1 ARG 102 8.986 -0.306 -10.771 625 HH12 ARG 102 2HH1 ARG 102 7.920 0.073 -12.084 626 HH21 ARG 102 1HH2 ARG 102 8.832 3.469 -12.265 627 HH22 ARG 102 2HH2 ARG 102 7.744 2.266 -12.857 628 H ASN 103 H ASN 103 12.632 1.347 -5.118 629 HA ASN 103 HA ASN 103 14.108 3.563 -6.467 630 HB3 ASN 103 2HB ASN 103 14.103 3.869 -4.044 631 HD21 ASN 103 1HD2 ASN 103 14.461 3.136 -1.847 632 HD22 ASN 103 2HD2 ASN 103 14.608 1.444 -1.532 633 H GLU 104 H GLU 104 16.519 2.940 -6.571 634 HA GLU 104 HA GLU 104 16.748 0.711 -8.319 635 HB3 GLU 104 2HB GLU 104 19.110 1.241 -8.390 636 HG3 GLU 104 2HG GLU 104 17.665 3.875 -8.164 637 H LYS 105 H LYS 105 16.523 0.463 -4.992 638 HA LYS 105 HA LYS 105 18.353 -1.877 -4.735 639 HB3 LYS 105 2HB LYS 105 17.194 -1.668 -2.329 640 HG3 LYS 105 2HG LYS 105 19.537 -1.562 -2.472 641 HD3 LYS 105 2HD LYS 105 20.475 0.907 -2.961 642 HE3 LYS 105 2HE LYS 105 20.254 -1.554 -4.630 643 HZ1 LYS 105 3HZ LYS 105 20.129 -0.148 -6.433 644 HZ2 LYS 105 1HZ LYS 105 21.743 -0.359 -6.260 645 HZ3 LYS 105 2HZ LYS 105 21.066 1.043 -5.746 646 H GLY 106 H GLY 106 14.949 -0.897 -4.933 647 HA2 GLY 106 1HA GLY 106 13.492 -2.451 -6.165 648 HA3 GLY 106 2HA GLY 106 14.227 -3.770 -5.225 649 H TYR 107 H TYR 107 11.727 -3.853 -5.052 650 HA TYR 107 HA TYR 107 10.414 -2.339 -2.985 651 HB3 TYR 107 2HB TYR 107 8.682 -4.045 -3.281 652 HD1 TYR 107 2HD TYR 107 8.648 -1.509 -4.349 653 HD2 TYR 107 1HD TYR 107 9.661 -5.132 -6.465 654 HE1 TYR 107 2HE TYR 107 7.847 -0.498 -6.469 655 HE2 TYR 107 1HE TYR 107 8.987 -4.110 -8.575 656 HH TYR 107 HH TYR 107 8.483 -2.088 -9.597 657 H GLY 108 H GLY 108 12.326 -2.554 -1.596 658 HA2 GLY 108 1HA GLY 108 12.940 -5.179 -0.453 659 HA3 GLY 108 2HA GLY 108 13.761 -3.670 -0.056 660 HA PRO 109 HA PRO 109 11.173 -3.580 3.598 661 HB3 PRO 109 2HB PRO 109 12.739 -1.962 4.299 662 HG3 PRO 109 2HG PRO 109 13.404 -0.184 2.862 663 HD3 PRO 109 2HD PRO 109 13.722 -1.821 1.220 664 H ALA 110 H ALA 110 9.005 -2.870 4.358 665 HA ALA 110 HA ALA 110 7.385 -1.295 2.434 666 HB1 ALA 110 1HB ALA 110 6.856 -3.661 2.030 667 HB2 ALA 110 2HB ALA 110 6.556 -3.911 3.764 668 HB3 ALA 110 3HB ALA 110 5.501 -2.843 2.820 669 H THR 111 H THR 111 5.509 -0.377 3.476 670 HA THR 111 HA THR 111 5.597 -0.304 6.440 671 HB THR 111 HB THR 111 5.632 1.934 5.248 672 HG1 THR 111 1HG THR 111 5.025 1.859 7.341 673 HG21 THR 111 3HG2 THR 111 3.561 2.900 4.495 674 HG22 THR 111 1HG2 THR 111 2.723 1.340 4.659 675 HG23 THR 111 2HG2 THR 111 4.033 1.518 3.462 676 H GLN 112 H GLN 112 3.566 -0.822 7.483 677 HA GLN 112 HA GLN 112 1.558 -2.237 5.834 678 HB3 GLN 112 2HB GLN 112 2.811 -3.244 8.436 679 HG3 GLN 112 2HG GLN 112 0.518 -4.426 6.817 680 HE21 GLN 112 1HE2 GLN 112 0.039 -6.525 7.283 681 HE22 GLN 112 2HE2 GLN 112 0.847 -7.493 8.466 682 H VAL 113 H VAL 113 0.037 -0.652 6.004 683 HA VAL 113 HA VAL 113 -0.510 0.553 8.685 684 HB VAL 113 HB VAL 113 -0.955 1.461 5.846 685 HG11 VAL 113 1HG1 VAL 113 -1.629 3.678 6.717 686 HG12 VAL 113 2HG1 VAL 113 -2.815 2.412 6.959 687 HG13 VAL 113 3HG1 VAL 113 -1.791 2.965 8.338 688 HG21 VAL 113 3HG2 VAL 113 0.830 2.527 8.108 689 HG22 VAL 113 1HG2 VAL 113 1.395 1.742 6.622 690 HG23 VAL 113 2HG2 VAL 113 0.646 3.336 6.544 691 H ARG 114 H ARG 114 -2.885 1.021 8.974 692 HA ARG 114 HA ARG 114 -4.606 -0.916 7.664 693 HB3 ARG 114 2HB ARG 114 -4.170 -2.134 9.660 694 HG3 ARG 114 2HG ARG 114 -4.656 -1.057 11.965 695 HD3 ARG 114 2HD ARG 114 -2.203 -1.269 10.419 696 HE ARG 114 HE ARG 114 -2.415 1.222 11.822 697 HH11 ARG 114 1HH1 ARG 114 -0.059 -1.499 11.495 698 HH12 ARG 114 2HH1 ARG 114 1.196 -0.403 11.022 699 HH21 ARG 114 1HH2 ARG 114 -0.465 2.605 11.521 700 HH22 ARG 114 2HH2 ARG 114 1.031 1.744 11.259 701 H TRP 115 H TRP 115 -6.281 0.181 6.785 702 HA TRP 115 HA TRP 115 -6.801 2.863 7.786 703 HB3 TRP 115 2HB TRP 115 -8.070 1.488 5.406 704 HD1 TRP 115 HD TRP 115 -7.351 4.786 7.254 705 HE1 TRP 115 1HE TRP 115 -8.875 6.596 6.358 706 HE3 TRP 115 3HE TRP 115 -9.286 2.265 3.265 707 HZ2 TRP 115 2HZ TRP 115 -10.610 6.960 4.103 708 HZ3 TRP 115 3HZ TRP 115 -10.934 3.410 1.753 709 HH2 TRP 115 HH TRP 115 -11.615 5.780 2.235 710 H LEU 116 H LEU 116 -7.680 2.252 9.819 711 HA LEU 116 HA LEU 116 -9.950 0.392 9.938 712 HB3 LEU 116 2HB LEU 116 -9.938 0.913 12.374 713 HG LEU 116 HG LEU 116 -7.186 0.288 11.232 714 HD11 LEU 116 1HD1 LEU 116 -6.876 1.248 13.461 715 HD12 LEU 116 2HD1 LEU 116 -6.585 -0.499 13.510 716 HD13 LEU 116 3HD1 LEU 116 -8.106 0.163 14.132 717 HD21 LEU 116 3HD2 LEU 116 -9.304 -1.348 11.108 718 HD22 LEU 116 1HD2 LEU 116 -8.867 -1.689 12.768 719 HD23 LEU 116 2HD2 LEU 116 -7.691 -1.943 11.456 720 H GLN 117 H GLN 117 -11.899 1.198 11.203 721 HA GLN 117 HA GLN 117 -13.724 2.357 11.387 722 HB3 GLN 117 2HB GLN 117 -12.629 4.841 10.065 723 HG3 GLN 117 2HG GLN 117 -14.759 4.164 12.051 724 HE21 GLN 117 1HE2 GLN 117 -13.575 7.438 11.359 725 HE22 GLN 117 2HE2 GLN 117 -13.242 7.892 13.021 726 H GLU 118 H GLU 118 -12.185 1.631 8.440 727 HA GLU 118 HA GLU 118 -14.136 2.233 6.550 728 HB3 GLU 118 2HB GLU 118 -13.042 -0.290 5.873 729 HG3 GLU 118 2HG GLU 118 -11.357 1.010 4.671 730 H THR 119 H THR 119 -15.452 0.546 5.345 731 HA THR 119 HA THR 119 -17.187 -0.926 7.269 732 HB THR 119 HB THR 119 -18.500 0.178 4.873 733 HG1 THR 119 1HG THR 119 -18.017 2.115 4.971 734 HG21 THR 119 3HG2 THR 119 -20.206 0.810 6.455 735 HG22 THR 119 1HG2 THR 119 -19.105 0.537 7.830 736 HG23 THR 119 2HG2 THR 119 -19.660 -0.825 6.827 737 H SER 120 H SER 120 -18.065 -2.929 6.473 738 HA SER 120 HA SER 120 -17.046 -4.007 3.950 739 HB3 SER 120 2HB SER 120 -19.595 -5.033 5.157 740 HG SER 120 HG SER 120 -18.869 -6.853 4.406 741 H LYS 121 H LYS 121 -18.400 -4.296 2.060 742 HA LYS 121 HA LYS 121 -21.158 -3.770 2.263 743 HB3 LYS 121 2HB LYS 121 -19.828 -2.350 -0.072 744 HG3 LYS 121 2HG LYS 121 -22.223 -1.154 1.105 745 HD3 LYS 121 2HD LYS 121 -21.789 -2.540 -1.585 746 HE3 LYS 121 2HE LYS 121 -23.948 -0.718 -0.456 747 HZ1 LYS 121 3HZ LYS 121 -24.837 -0.571 -2.604 748 HZ2 LYS 121 1HZ LYS 121 -23.717 -1.559 -3.283 749 HZ3 LYS 121 2HZ LYS 121 -23.258 -0.086 -2.741 750 H ASP 122 H ASP 122 -22.130 -4.585 -0.067 751 HA ASP 122 HA ASP 122 -20.271 -6.406 -1.437 752 HB3 ASP 122 2HB ASP 122 -22.900 -7.542 -0.509 753 H SER 123 H SER 123 -21.444 -7.399 -3.417 754 HA SER 123 HA SER 123 -23.649 -5.944 -4.606 755 HB3 SER 123 2HB SER 123 -20.761 -5.352 -5.366 756 HG SER 123 HG SER 123 -21.652 -5.057 -7.255 757 H SER 124 H SER 124 -23.410 -6.503 -7.172 758 HA SER 124 HA SER 124 -21.794 -8.785 -7.789 759 HB3 SER 124 2HB SER 124 -23.670 -9.980 -8.999 760 HG SER 124 HG SER 124 -23.709 -11.207 -7.344 761 H GLY 125 H GLY 125 -21.920 -9.096 -10.333 762 HA2 GLY 125 1HA GLY 125 -22.103 -6.362 -11.539 763 HA3 GLY 125 2HA GLY 125 -20.657 -7.357 -11.644 764 H THR 126 H THR 126 -21.288 -9.762 -12.508 765 HA THR 126 HA THR 126 -23.303 -9.656 -14.628 766 HB THR 126 HB THR 126 -20.423 -10.505 -15.127 767 HG1 THR 126 1HG THR 126 -21.863 -8.209 -15.904 768 HG21 THR 126 3HG2 THR 126 -22.107 -11.758 -16.465 769 HG22 THR 126 1HG2 THR 126 -21.119 -10.692 -17.486 770 HG23 THR 126 2HG2 THR 126 -22.765 -10.218 -17.052 Start of MODEL 10 1 H1 GLY 1 H GLY 1 28.217 -7.991 14.388 2 HA2 GLY 1 1HA GLY 1 26.178 -9.142 14.854 3 HA3 GLY 1 2HA GLY 1 25.272 -7.720 14.315 4 H CYS 2 H CYS 2 24.466 -7.783 12.294 5 HA CYS 2 HA CYS 2 25.725 -9.408 10.163 6 HB3 CYS 2 2HB CYS 2 24.156 -10.904 11.239 7 HG CYS 2 HG CYS 2 21.466 -10.332 11.228 8 H LEU 3 H LEU 3 25.213 -6.459 10.853 9 HA LEU 3 HA LEU 3 24.465 -4.517 10.037 10 HB3 LEU 3 2HB LEU 3 23.684 -4.275 7.687 11 HG LEU 3 HG LEU 3 26.215 -4.320 8.346 12 HD11 LEU 3 1HD1 LEU 3 27.442 -6.057 6.940 13 HD12 LEU 3 2HD1 LEU 3 25.912 -6.950 6.824 14 HD13 LEU 3 3HD1 LEU 3 26.695 -6.690 8.399 15 HD21 LEU 3 3HD2 LEU 3 25.296 -3.199 6.364 16 HD22 LEU 3 1HD2 LEU 3 25.277 -4.741 5.478 17 HD23 LEU 3 2HD2 LEU 3 26.817 -4.005 5.974 18 HA PRO 4 HA PRO 4 20.104 -4.650 10.926 19 HB3 PRO 4 2HB PRO 4 20.170 -2.373 11.324 20 HG3 PRO 4 2HG PRO 4 21.389 -0.893 9.909 21 HD3 PRO 4 2HD PRO 4 22.884 -2.567 10.664 22 H GLY 5 H GLY 5 17.887 -4.227 9.754 23 HA2 GLY 5 1HA GLY 5 17.598 -5.761 7.307 24 HA3 GLY 5 2HA GLY 5 16.367 -4.807 8.167 25 H PHE 6 H PHE 6 15.683 -4.071 6.043 26 HA PHE 6 HA PHE 6 17.399 -1.980 4.806 27 HB3 PHE 6 2HB PHE 6 15.699 -2.166 2.912 28 HD1 PHE 6 1HD PHE 6 18.741 -3.524 4.339 29 HD2 PHE 6 2HD PHE 6 16.108 -3.822 0.907 30 HE1 PHE 6 1HE PHE 6 20.517 -4.418 3.123 31 HE2 PHE 6 2HE PHE 6 17.968 -4.803 -0.377 32 HZ PHE 6 HZ PHE 6 20.175 -5.200 0.714 33 HA PRO 7 HA PRO 7 14.282 0.185 7.302 34 HB3 PRO 7 2HB PRO 7 16.042 0.895 8.652 35 HG3 PRO 7 2HG PRO 7 18.184 1.360 7.723 36 HD3 PRO 7 2HD PRO 7 17.973 -0.760 6.696 37 H GLY 8 H GLY 8 12.792 1.786 6.570 38 HA2 GLY 8 1HA GLY 8 12.821 3.856 5.006 39 HA3 GLY 8 2HA GLY 8 13.094 2.642 3.741 40 H ALA 9 H ALA 9 11.247 2.454 2.710 41 HA ALA 9 HA ALA 9 9.166 1.986 2.098 42 HB1 ALA 9 1HB ALA 9 8.252 1.757 4.971 43 HB2 ALA 9 2HB ALA 9 7.532 1.034 3.545 44 HB3 ALA 9 3HB ALA 9 9.069 0.430 4.130 45 HA PRO 10 HA PRO 10 7.255 6.037 2.528 46 HB3 PRO 10 2HB PRO 10 5.710 5.437 0.847 47 HG3 PRO 10 2HG PRO 10 4.707 3.276 0.824 48 HD3 PRO 10 2HD PRO 10 7.084 3.174 0.709 49 H CYS 11 H CYS 11 6.070 7.370 4.124 50 HA CYS 11 HA CYS 11 4.928 5.849 6.395 51 HB3 CYS 11 2HB CYS 11 7.122 6.328 7.186 52 HG CYS 11 HG CYS 11 8.048 8.149 5.456 53 H ALA 12 H ALA 12 4.159 7.552 7.974 54 HA ALA 12 HA ALA 12 2.486 8.885 8.634 55 HB1 ALA 12 1HB ALA 12 4.192 10.545 7.792 56 HB2 ALA 12 2HB ALA 12 3.221 10.682 6.304 57 HB3 ALA 12 3HB ALA 12 2.524 11.158 7.861 58 H ILE 13 H ILE 13 2.020 7.241 5.973 59 HA ILE 13 HA ILE 13 0.627 8.285 4.162 60 HB ILE 13 HB ILE 13 0.038 5.539 5.294 61 HG13 ILE 13 2HG1 ILE 13 2.290 6.704 3.795 62 HG21 ILE 13 1HG2 ILE 13 -0.586 6.494 2.485 63 HG22 ILE 13 2HG2 ILE 13 -0.634 4.811 3.040 64 HG23 ILE 13 3HG2 ILE 13 -1.744 5.990 3.721 65 HD11 ILE 13 3HD1 ILE 13 1.887 4.009 5.128 66 HD12 ILE 13 1HD1 ILE 13 3.417 4.628 4.499 67 HD13 ILE 13 2HD1 ILE 13 2.628 5.433 5.872 68 H LYS 14 H LYS 14 -1.269 9.187 3.597 69 HA LYS 14 HA LYS 14 -3.432 9.264 5.649 70 HB3 LYS 14 2HB LYS 14 -3.935 11.503 4.867 71 HG3 LYS 14 2HG LYS 14 -1.735 12.682 5.330 72 HD3 LYS 14 2HD LYS 14 -3.267 12.440 7.149 73 HE3 LYS 14 2HE LYS 14 -1.953 9.749 7.718 74 HZ1 LYS 14 3HZ LYS 14 -2.372 10.858 9.799 75 HZ2 LYS 14 1HZ LYS 14 -3.564 9.755 9.584 76 HZ3 LYS 14 2HZ LYS 14 -3.888 11.323 9.344 77 H ILE 15 H ILE 15 -5.429 8.728 5.033 78 HA ILE 15 HA ILE 15 -6.006 8.382 2.176 79 HB ILE 15 HB ILE 15 -6.452 6.116 4.149 80 HG13 ILE 15 2HG1 ILE 15 -4.077 6.336 3.688 81 HG21 ILE 15 1HG2 ILE 15 -8.090 6.424 2.185 82 HG22 ILE 15 2HG2 ILE 15 -6.729 6.136 1.106 83 HG23 ILE 15 3HG2 ILE 15 -7.249 4.883 2.247 84 HD11 ILE 15 3HD1 ILE 15 -5.156 4.070 1.953 85 HD12 ILE 15 1HD1 ILE 15 -3.525 4.223 2.590 86 HD13 ILE 15 2HD1 ILE 15 -4.890 3.991 3.712 87 H SER 16 H SER 16 -7.384 9.913 2.173 88 HA SER 16 HA SER 16 -9.635 10.040 4.150 89 HB3 SER 16 2HB SER 16 -10.054 12.287 3.098 90 HG SER 16 HG SER 16 -8.130 13.230 4.006 91 H LYS 17 H LYS 17 -11.719 9.707 3.456 92 HA LYS 17 HA LYS 17 -12.267 8.392 0.939 93 HB3 LYS 17 2HB LYS 17 -14.617 9.611 1.938 94 HG3 LYS 17 2HG LYS 17 -13.828 6.831 2.797 95 HD3 LYS 17 2HD LYS 17 -16.225 6.395 2.233 96 HE3 LYS 17 2HE LYS 17 -15.826 8.435 4.466 97 HZ1 LYS 17 3HZ LYS 17 -18.136 7.888 4.116 98 HZ2 LYS 17 1HZ LYS 17 -17.636 7.118 5.487 99 HZ3 LYS 17 2HZ LYS 17 -17.846 6.291 4.103 100 H SER 18 H SER 18 -13.449 9.215 -0.833 101 HA SER 18 HA SER 18 -13.809 12.097 -1.181 102 HB3 SER 18 2HB SER 18 -12.671 11.780 -3.479 103 HG SER 18 HG SER 18 -11.628 12.756 -1.698 104 HA PRO 19 HA PRO 19 -17.538 10.784 -2.857 105 HB3 PRO 19 2HB PRO 19 -18.166 12.764 -3.754 106 HG3 PRO 19 2HG PRO 19 -16.504 14.249 -4.505 107 HD3 PRO 19 2HD PRO 19 -15.506 13.414 -2.558 108 H ASP 20 H ASP 20 -15.023 10.483 -5.434 109 HA ASP 20 HA ASP 20 -16.467 8.105 -6.507 110 HB3 ASP 20 2HB ASP 20 -14.955 8.423 -8.473 111 H GLY 21 H GLY 21 -14.322 8.390 -4.047 112 HA2 GLY 21 1HA GLY 21 -13.244 5.864 -4.106 113 HA3 GLY 21 2HA GLY 21 -12.136 6.806 -5.099 114 H ALA 22 H ALA 22 -10.338 7.016 -3.814 115 HA ALA 22 HA ALA 22 -10.637 8.534 -1.301 116 HB1 ALA 22 1HB ALA 22 -9.104 5.892 -1.495 117 HB2 ALA 22 2HB ALA 22 -9.148 6.981 -0.090 118 HB3 ALA 22 3HB ALA 22 -10.626 6.143 -0.609 119 H HIS 23 H HIS 23 -8.837 9.728 -0.846 120 HA HIS 23 HA HIS 23 -6.676 10.061 -2.859 121 HB3 HIS 23 2HB HIS 23 -5.832 11.617 -0.952 122 HD1 HIS 23 1HD HIS 23 -9.506 12.518 -1.710 123 HD2 HIS 23 2HD HIS 23 -5.550 13.282 -2.966 124 HE1 HIS 23 1HE HIS 23 -9.604 14.576 -3.192 125 H LEU 24 H LEU 24 -4.474 9.698 -2.211 126 HA LEU 24 HA LEU 24 -3.887 8.071 0.171 127 HB3 LEU 24 2HB LEU 24 -2.565 6.567 -1.574 128 HG LEU 24 HG LEU 24 -4.789 6.131 -0.116 129 HD11 LEU 24 1HD1 LEU 24 -6.180 6.638 -2.197 130 HD12 LEU 24 2HD1 LEU 24 -6.520 5.139 -1.354 131 HD13 LEU 24 3HD1 LEU 24 -5.564 5.122 -2.869 132 HD21 LEU 24 3HD2 LEU 24 -4.526 3.750 -0.499 133 HD22 LEU 24 1HD2 LEU 24 -2.984 4.571 -0.232 134 HD23 LEU 24 2HD2 LEU 24 -3.453 4.075 -1.878 135 H THR 25 H THR 25 -2.267 9.435 1.011 136 HA THR 25 HA THR 25 -0.094 10.201 -0.891 137 HB THR 25 HB THR 25 0.167 12.281 0.279 138 HG1 THR 25 1HG THR 25 -1.046 12.854 1.972 139 HG21 THR 25 3HG2 THR 25 -1.841 13.466 -0.309 140 HG22 THR 25 1HG2 THR 25 -2.832 12.006 -0.162 141 HG23 THR 25 2HG2 THR 25 -1.667 12.167 -1.506 142 H TRP 26 H TRP 26 2.083 10.386 0.114 143 HA TRP 26 HA TRP 26 2.398 9.192 2.782 144 HB3 TRP 26 2HB TRP 26 2.738 7.194 1.758 145 HD1 TRP 26 HD TRP 26 5.154 8.524 -0.934 146 HE1 TRP 26 1HE TRP 26 4.397 7.610 -3.163 147 HE3 TRP 26 3HE TRP 26 0.718 6.577 0.580 148 HZ2 TRP 26 2HZ TRP 26 1.913 6.336 -4.247 149 HZ3 TRP 26 3HZ TRP 26 -0.831 5.534 -1.032 150 HH2 TRP 26 HH TRP 26 -0.326 5.524 -3.424 151 H GLU 27 H GLU 27 4.173 9.811 3.819 152 HA GLU 27 HA GLU 27 5.897 11.935 2.745 153 HB3 GLU 27 2HB GLU 27 6.965 11.421 5.128 154 HG3 GLU 27 2HG GLU 27 4.906 12.610 6.228 155 HA PRO 28 HA PRO 28 8.966 9.013 1.358 156 HB3 PRO 28 2HB PRO 28 9.892 10.926 0.386 157 HG3 PRO 28 2HG PRO 28 10.198 12.939 1.638 158 HD3 PRO 28 2HD PRO 28 7.898 12.473 1.682 159 HA PRO 29 HA PRO 29 10.988 7.254 4.961 160 HB3 PRO 29 2HB PRO 29 11.762 5.495 3.707 161 HG3 PRO 29 2HG PRO 29 12.497 5.798 1.477 162 HD3 PRO 29 2HD PRO 29 10.375 6.816 1.527 163 H SER 30 H SER 30 12.531 7.761 6.506 164 HA SER 30 HA SER 30 14.626 9.791 6.062 165 HB3 SER 30 2HB SER 30 12.219 10.116 7.902 166 HG SER 30 HG SER 30 13.431 11.298 9.002 167 H VAL 31 H VAL 31 15.706 7.655 6.393 168 HA VAL 31 HA VAL 31 16.155 7.057 9.232 169 HB VAL 31 HB VAL 31 16.003 4.536 8.581 170 HG11 VAL 31 1HG1 VAL 31 13.419 6.032 9.102 171 HG12 VAL 31 2HG1 VAL 31 13.802 4.360 9.533 172 HG13 VAL 31 3HG1 VAL 31 14.656 5.691 10.328 173 HG21 VAL 31 3HG2 VAL 31 14.057 3.989 7.161 174 HG22 VAL 31 1HG2 VAL 31 13.912 5.659 6.648 175 HG23 VAL 31 2HG2 VAL 31 15.360 4.712 6.204 176 H THR 32 H THR 32 16.977 5.869 5.880 177 HA THR 32 HA THR 32 19.630 6.851 6.394 178 HB THR 32 HB THR 32 20.745 4.925 5.302 179 HG1 THR 32 1HG THR 32 19.033 3.849 4.333 180 HG21 THR 32 3HG2 THR 32 20.820 3.446 7.219 181 HG22 THR 32 1HG2 THR 32 19.298 4.089 7.849 182 HG23 THR 32 2HG2 THR 32 20.752 5.123 7.787 183 H SER 33 H SER 33 20.780 7.067 4.268 184 HA SER 33 HA SER 33 19.592 8.867 2.766 185 HB3 SER 33 2HB SER 33 21.647 6.967 1.579 186 HG SER 33 HG SER 33 21.565 9.791 1.566 187 H GLY 34 H GLY 34 19.840 5.468 1.463 188 HA2 GLY 34 1HA GLY 34 18.601 4.311 0.002 189 HA3 GLY 34 2HA GLY 34 17.286 5.487 0.218 190 H LYS 35 H LYS 35 17.663 4.518 -2.286 191 HA LYS 35 HA LYS 35 17.852 7.160 -3.472 192 HB3 LYS 35 2HB LYS 35 18.514 5.939 -5.680 193 HG3 LYS 35 2HG LYS 35 20.690 6.379 -3.601 194 HD3 LYS 35 2HD LYS 35 21.254 5.215 -5.695 195 HE3 LYS 35 2HE LYS 35 20.806 7.887 -7.098 196 HZ1 LYS 35 3HZ LYS 35 21.357 5.172 -8.118 197 HZ2 LYS 35 1HZ LYS 35 22.457 6.396 -8.112 198 HZ3 LYS 35 2HZ LYS 35 21.118 6.470 -9.072 199 H ILE 36 H ILE 36 15.639 7.251 -3.334 200 HA ILE 36 HA ILE 36 13.951 5.111 -4.479 201 HB ILE 36 HB ILE 36 13.425 7.750 -3.070 202 HG13 ILE 36 2HG1 ILE 36 12.553 4.883 -2.542 203 HG21 ILE 36 1HG2 ILE 36 10.989 7.339 -3.381 204 HG22 ILE 36 2HG2 ILE 36 11.809 7.717 -4.883 205 HG23 ILE 36 3HG2 ILE 36 11.357 6.037 -4.526 206 HD11 ILE 36 3HD1 ILE 36 14.811 5.114 -1.648 207 HD12 ILE 36 1HD1 ILE 36 14.354 6.642 -0.838 208 HD13 ILE 36 2HD1 ILE 36 13.609 5.094 -0.364 209 H ILE 37 H ILE 37 12.925 5.346 -6.470 210 HA ILE 37 HA ILE 37 13.723 7.648 -8.154 211 HB ILE 37 HB ILE 37 13.924 5.973 -10.023 212 HG13 ILE 37 2HG1 ILE 37 12.847 4.044 -8.907 213 HG21 ILE 37 1HG2 ILE 37 16.269 5.480 -9.524 214 HG22 ILE 37 2HG2 ILE 37 15.851 7.086 -8.956 215 HG23 ILE 37 3HG2 ILE 37 15.990 5.738 -7.791 216 HD11 ILE 37 3HD1 ILE 37 14.670 3.728 -10.764 217 HD12 ILE 37 1HD1 ILE 37 15.689 3.139 -9.409 218 HD13 ILE 37 2HD1 ILE 37 14.164 2.335 -9.798 219 H GLU 38 H GLU 38 11.193 5.330 -7.152 220 HA GLU 38 HA GLU 38 9.193 6.905 -8.508 221 HB3 GLU 38 2HB GLU 38 8.659 4.279 -9.512 222 HG3 GLU 38 2HG GLU 38 9.375 6.958 -10.649 223 H TYR 39 H TYR 39 6.935 5.405 -8.251 224 HA TYR 39 HA TYR 39 7.044 3.815 -5.760 225 HB3 TYR 39 2HB TYR 39 4.804 5.038 -5.192 226 HD1 TYR 39 1HD TYR 39 7.490 7.591 -5.667 227 HD2 TYR 39 2HD TYR 39 5.788 4.627 -3.061 228 HE1 TYR 39 1HE TYR 39 8.775 8.535 -3.819 229 HE2 TYR 39 2HE TYR 39 7.055 5.608 -1.142 230 HH TYR 39 HH TYR 39 8.212 7.676 -0.513 231 H SER 40 H SER 40 5.020 2.592 -5.462 232 HA SER 40 HA SER 40 3.051 2.710 -7.521 233 HB3 SER 40 2HB SER 40 3.752 -0.103 -7.305 234 HG SER 40 HG SER 40 3.996 1.409 -9.674 235 H VAL 41 H VAL 41 1.326 0.946 -6.988 236 HA VAL 41 HA VAL 41 1.015 0.539 -4.056 237 HB VAL 41 HB VAL 41 -1.038 1.819 -5.936 238 HG11 VAL 41 1HG1 VAL 41 -2.078 0.583 -4.104 239 HG12 VAL 41 2HG1 VAL 41 -1.070 1.430 -2.917 240 HG13 VAL 41 3HG1 VAL 41 -2.284 2.318 -3.858 241 HG21 VAL 41 3HG2 VAL 41 0.751 3.463 -5.602 242 HG22 VAL 41 1HG2 VAL 41 -0.736 3.921 -4.796 243 HG23 VAL 41 2HG2 VAL 41 0.625 3.255 -3.842 244 H TYR 42 H TYR 42 0.418 -1.437 -3.714 245 HA TYR 42 HA TYR 42 -0.856 -2.991 -5.887 246 HB3 TYR 42 2HB TYR 42 0.382 -4.874 -5.113 247 HD1 TYR 42 2HD TYR 42 2.723 -2.115 -4.320 248 HD2 TYR 42 1HD TYR 42 1.399 -4.949 -7.286 249 HE1 TYR 42 2HE TYR 42 4.734 -1.621 -5.667 250 HE2 TYR 42 1HE TYR 42 3.347 -4.365 -8.701 251 HH TYR 42 HH TYR 42 5.754 -1.894 -7.742 252 H LEU 43 H LEU 43 -2.884 -3.592 -5.417 253 HA LEU 43 HA LEU 43 -3.885 -3.319 -2.640 254 HB3 LEU 43 2HB LEU 43 -5.763 -3.185 -4.951 255 HG LEU 43 HG LEU 43 -5.385 -1.444 -2.496 256 HD11 LEU 43 1HD1 LEU 43 -7.783 -1.643 -4.358 257 HD12 LEU 43 2HD1 LEU 43 -6.580 -0.335 -4.401 258 HD13 LEU 43 3HD1 LEU 43 -7.610 -0.558 -2.972 259 HD21 LEU 43 3HD2 LEU 43 -6.077 -3.660 -1.769 260 HD22 LEU 43 1HD2 LEU 43 -7.402 -3.678 -2.963 261 HD23 LEU 43 2HD2 LEU 43 -7.409 -2.516 -1.610 262 H ALA 44 H ALA 44 -4.262 -5.378 -1.748 263 HA ALA 44 HA ALA 44 -4.443 -7.734 -3.431 264 HB1 ALA 44 1HB ALA 44 -4.824 -8.944 -1.376 265 HB2 ALA 44 2HB ALA 44 -3.486 -7.815 -1.109 266 HB3 ALA 44 3HB ALA 44 -5.074 -7.439 -0.463 267 H ILE 45 H ILE 45 -6.249 -8.803 -4.010 268 HA ILE 45 HA ILE 45 -8.901 -7.889 -3.208 269 HB ILE 45 HB ILE 45 -9.778 -7.901 -5.434 270 HG13 ILE 45 2HG1 ILE 45 -8.276 -9.608 -6.437 271 HG21 ILE 45 1HG2 ILE 45 -7.303 -6.114 -5.503 272 HG22 ILE 45 2HG2 ILE 45 -8.873 -5.843 -6.297 273 HG23 ILE 45 3HG2 ILE 45 -8.755 -5.772 -4.558 274 HD11 ILE 45 3HD1 ILE 45 -8.408 -7.076 -8.118 275 HD12 ILE 45 1HD1 ILE 45 -8.318 -8.736 -8.690 276 HD13 ILE 45 2HD1 ILE 45 -9.775 -8.185 -7.850 277 H GLN 46 H GLN 46 -10.387 -9.731 -4.334 278 HA GLN 46 HA GLN 46 -10.086 -12.097 -3.022 279 HB3 GLN 46 2HB GLN 46 -11.361 -12.483 -5.657 280 HG3 GLN 46 2HG GLN 46 -13.463 -12.311 -4.209 281 HE21 GLN 46 1HE2 GLN 46 -13.630 -14.113 -2.111 282 HE22 GLN 46 2HE2 GLN 46 -13.137 -15.679 -2.707 283 H SER 47 H SER 47 -8.217 -13.268 -2.970 284 HA SER 47 HA SER 47 -7.147 -14.823 -5.117 285 HB3 SER 47 2HB SER 47 -4.884 -13.653 -5.073 286 HG SER 47 HG SER 47 -7.177 -12.523 -6.159 287 H SER 48 H SER 48 -4.919 -15.792 -4.280 288 HA SER 48 HA SER 48 -5.216 -16.816 -1.652 289 HB3 SER 48 2HB SER 48 -3.522 -18.207 -2.283 290 HG SER 48 HG SER 48 -4.649 -18.141 -4.317 291 H GLN 49 H GLN 49 -3.140 -16.776 -0.166 292 HA GLN 49 HA GLN 49 -2.522 -14.057 0.687 293 HB3 GLN 49 2HB GLN 49 -1.103 -15.264 2.341 294 HG3 GLN 49 2HG GLN 49 -3.865 -16.545 2.173 295 HE21 GLN 49 1HE2 GLN 49 -3.110 -18.319 3.544 296 HE22 GLN 49 2HE2 GLN 49 -2.639 -18.003 5.199 297 H ALA 50 H ALA 50 -0.195 -13.448 1.116 298 HA ALA 50 HA ALA 50 1.616 -14.102 -1.163 299 HB1 ALA 50 1HB ALA 50 1.633 -11.707 0.725 300 HB2 ALA 50 2HB ALA 50 2.684 -11.948 -0.678 301 HB3 ALA 50 3HB ALA 50 0.941 -11.691 -0.917 302 H SER 51 H SER 51 4.092 -13.705 -0.231 303 HA SER 51 HA SER 51 4.671 -13.972 2.472 304 HB3 SER 51 2HB SER 51 5.856 -16.326 2.023 305 HG SER 51 HG SER 51 3.130 -16.015 2.685 306 H GLY 52 H GLY 52 6.705 -13.193 2.675 307 HA2 GLY 52 1HA GLY 52 8.999 -14.066 1.803 308 HA3 GLY 52 2HA GLY 52 8.585 -13.090 0.385 309 H GLU 53 H GLU 53 10.494 -12.970 3.038 310 HA GLU 53 HA GLU 53 10.094 -10.173 3.852 311 HB3 GLU 53 2HB GLU 53 12.752 -10.634 4.361 312 HG3 GLU 53 2HG GLU 53 10.764 -12.113 6.024 313 HA PRO 54 HA PRO 54 12.254 -8.239 0.463 314 HB3 PRO 54 2HB PRO 54 12.057 -6.260 1.634 315 HG3 PRO 54 2HG PRO 54 12.392 -6.124 3.982 316 HD3 PRO 54 2HD PRO 54 10.760 -7.784 3.710 317 H LYS 55 H LYS 55 13.971 -8.869 -0.691 318 HA LYS 55 HA LYS 55 16.524 -9.633 0.589 319 HB3 LYS 55 2HB LYS 55 15.114 -11.618 -1.258 320 HG3 LYS 55 2HG LYS 55 17.520 -11.735 0.623 321 HD3 LYS 55 2HD LYS 55 15.978 -13.770 0.746 322 HE3 LYS 55 2HE LYS 55 17.236 -14.276 -1.991 323 HZ1 LYS 55 3HZ LYS 55 15.975 -16.273 -1.961 324 HZ2 LYS 55 1HZ LYS 55 15.226 -15.857 -0.543 325 HZ3 LYS 55 2HZ LYS 55 16.815 -16.254 -0.558 326 H SER 56 H SER 56 15.833 -7.403 -0.901 327 HA SER 56 HA SER 56 16.232 -6.124 -2.651 328 HB3 SER 56 2HB SER 56 18.311 -6.305 -3.815 329 HG SER 56 HG SER 56 19.477 -7.571 -1.836 330 H SER 57 H SER 57 14.721 -8.948 -3.139 331 HA SER 57 HA SER 57 13.793 -8.412 -5.758 332 HB3 SER 57 2HB SER 57 14.407 -10.700 -6.637 333 HG SER 57 HG SER 57 15.514 -8.835 -7.376 334 H THR 58 H THR 58 14.330 -11.463 -3.889 335 HA THR 58 HA THR 58 12.946 -13.022 -3.214 336 HB THR 58 HB THR 58 10.567 -11.565 -2.413 337 HG1 THR 58 1HG THR 58 11.536 -9.704 -2.073 338 HG21 THR 58 3HG2 THR 58 11.065 -12.480 -0.287 339 HG22 THR 58 1HG2 THR 58 12.815 -12.456 -0.572 340 HG23 THR 58 2HG2 THR 58 11.811 -13.670 -1.341 341 HA PRO 59 HA PRO 59 10.506 -14.185 -6.599 342 HB3 PRO 59 2HB PRO 59 10.479 -16.262 -5.479 343 HG3 PRO 59 2HG PRO 59 9.572 -16.482 -3.291 344 HD3 PRO 59 2HD PRO 59 11.356 -14.982 -3.082 345 H ALA 60 H ALA 60 8.226 -14.439 -7.536 346 HA ALA 60 HA ALA 60 6.309 -12.389 -6.575 347 HB1 ALA 60 1HB ALA 60 6.452 -13.893 -9.212 348 HB2 ALA 60 2HB ALA 60 5.165 -12.777 -8.728 349 HB3 ALA 60 3HB ALA 60 6.821 -12.171 -8.946 350 H GLN 61 H GLN 61 6.097 -13.819 -4.729 351 HA GLN 61 HA GLN 61 3.803 -15.592 -5.271 352 HB3 GLN 61 2HB GLN 61 4.195 -16.878 -3.296 353 HG3 GLN 61 2HG GLN 61 6.962 -16.733 -4.507 354 HE21 GLN 61 1HE2 GLN 61 7.584 -17.952 -2.615 355 HE22 GLN 61 2HE2 GLN 61 7.184 -19.645 -2.445 356 H LEU 62 H LEU 62 3.020 -13.371 -5.481 357 HA LEU 62 HA LEU 62 2.043 -12.364 -2.876 358 HB3 LEU 62 2HB LEU 62 2.761 -10.277 -3.086 359 HG LEU 62 HG LEU 62 4.586 -11.424 -5.228 360 HD11 LEU 62 1HD1 LEU 62 5.704 -9.317 -5.476 361 HD12 LEU 62 2HD1 LEU 62 4.665 -8.530 -4.289 362 HD13 LEU 62 3HD1 LEU 62 4.010 -9.041 -5.842 363 HD21 LEU 62 3HD2 LEU 62 5.006 -11.896 -2.799 364 HD22 LEU 62 1HD2 LEU 62 5.110 -10.155 -2.498 365 HD23 LEU 62 2HD2 LEU 62 6.302 -10.960 -3.552 366 H ALA 63 H ALA 63 0.117 -10.852 -3.338 367 HA ALA 63 HA ALA 63 -1.368 -11.749 -5.712 368 HB1 ALA 63 1HB ALA 63 -1.876 -13.528 -4.160 369 HB2 ALA 63 2HB ALA 63 -2.175 -12.381 -2.844 370 HB3 ALA 63 3HB ALA 63 -3.273 -12.460 -4.212 371 H PHE 64 H PHE 64 -1.209 -9.571 -6.353 372 HA PHE 64 HA PHE 64 -3.134 -7.795 -5.048 373 HB3 PHE 64 2HB PHE 64 -1.705 -5.944 -4.919 374 HD1 PHE 64 1HD PHE 64 -1.917 -7.474 -2.597 375 HD2 PHE 64 2HD PHE 64 1.564 -7.068 -5.128 376 HE1 PHE 64 1HE PHE 64 -0.500 -8.394 -0.811 377 HE2 PHE 64 2HE PHE 64 2.986 -7.779 -3.244 378 HZ PHE 64 HZ PHE 64 1.984 -8.588 -1.156 379 H MET 65 H MET 65 -3.920 -6.159 -6.522 380 HA MET 65 HA MET 65 -3.692 -7.026 -9.339 381 HB3 MET 65 2HB MET 65 -5.826 -6.988 -8.030 382 HG3 MET 65 2HG MET 65 -5.388 -4.503 -7.223 383 HE1 MET 65 3HE MET 65 -8.271 -3.246 -10.589 384 HE2 MET 65 1HE MET 65 -7.709 -4.930 -10.572 385 HE3 MET 65 2HE MET 65 -8.609 -4.274 -9.185 386 H ARG 66 H ARG 66 -1.927 -4.918 -7.757 387 HA ARG 66 HA ARG 66 -0.856 -2.892 -8.150 388 HB3 ARG 66 2HB ARG 66 0.377 -4.490 -9.432 389 HG3 ARG 66 2HG ARG 66 -1.522 -3.808 -11.699 390 HD3 ARG 66 2HD ARG 66 1.100 -5.346 -11.826 391 HE ARG 66 HE ARG 66 -1.074 -5.082 -13.724 392 HH11 ARG 66 1HH1 ARG 66 2.446 -5.541 -13.485 393 HH12 ARG 66 2HH1 ARG 66 2.598 -5.931 -15.188 394 HH21 ARG 66 1HH2 ARG 66 -0.826 -5.688 -15.904 395 HH22 ARG 66 2HH2 ARG 66 0.739 -6.033 -16.565 396 H VAL 67 H VAL 67 -3.124 -1.918 -7.852 397 HA VAL 67 HA VAL 67 -4.573 -0.643 -9.836 398 HB VAL 67 HB VAL 67 -5.065 1.184 -8.143 399 HG11 VAL 67 1HG1 VAL 67 -5.454 -1.657 -7.169 400 HG12 VAL 67 2HG1 VAL 67 -6.409 -0.230 -6.719 401 HG13 VAL 67 3HG1 VAL 67 -6.460 -0.807 -8.372 402 HG21 VAL 67 3HG2 VAL 67 -3.316 -0.493 -6.280 403 HG22 VAL 67 1HG2 VAL 67 -3.019 1.180 -6.807 404 HG23 VAL 67 2HG2 VAL 67 -4.412 0.817 -5.798 405 H TYR 68 H TYR 68 -1.399 0.465 -8.598 406 HA TYR 68 HA TYR 68 -1.637 3.149 -9.581 407 HB3 TYR 68 2HB TYR 68 0.834 1.462 -9.033 408 HD1 TYR 68 2HD TYR 68 2.047 2.671 -10.986 409 HD2 TYR 68 1HD TYR 68 0.405 4.762 -7.578 410 HE1 TYR 68 2HE TYR 68 3.549 4.597 -11.428 411 HE2 TYR 68 1HE TYR 68 1.958 6.659 -8.038 412 HH TYR 68 HH TYR 68 4.327 6.654 -10.682 413 H CYS 69 H CYS 69 -1.860 3.712 -11.667 414 HA CYS 69 HA CYS 69 0.206 2.786 -13.536 415 HB3 CYS 69 2HB CYS 69 -1.389 2.782 -15.409 416 HG CYS 69 HG CYS 69 -0.833 0.505 -14.096 417 H GLY 70 H GLY 70 0.013 5.057 -11.746 418 HA2 GLY 70 1HA GLY 70 -1.002 7.317 -13.333 419 HA3 GLY 70 2HA GLY 70 -0.368 7.402 -11.687 420 HA PRO 71 HA PRO 71 3.079 8.583 -14.720 421 HB3 PRO 71 2HB PRO 71 2.105 10.292 -15.903 422 HG3 PRO 71 2HG PRO 71 0.178 11.404 -15.086 423 HD3 PRO 71 2HD PRO 71 -0.462 9.209 -14.739 424 H SER 72 H SER 72 1.883 10.723 -12.022 425 HA SER 72 HA SER 72 4.556 10.808 -10.914 426 HB3 SER 72 2HB SER 72 3.954 12.881 -10.291 427 HG SER 72 HG SER 72 1.932 13.684 -11.364 428 HA PRO 73 HA PRO 73 3.404 8.395 -7.352 429 HB3 PRO 73 2HB PRO 73 5.605 8.640 -6.670 430 HG3 PRO 73 2HG PRO 73 6.731 10.718 -6.820 431 HD3 PRO 73 2HD PRO 73 5.950 10.301 -8.985 432 H SER 74 H SER 74 2.530 8.687 -5.018 433 HA SER 74 HA SER 74 0.606 9.105 -3.899 434 HB3 SER 74 2HB SER 74 1.548 10.715 -2.684 435 HG SER 74 HG SER 74 2.014 12.096 -5.080 436 H CYS 75 H CYS 75 -0.302 8.131 -5.909 437 HA CYS 75 HA CYS 75 -1.859 9.730 -7.757 438 HB3 CYS 75 2HB CYS 75 -0.668 7.553 -8.246 439 HG CYS 75 HG CYS 75 -3.360 6.129 -6.946 440 H LEU 76 H LEU 76 -4.336 8.212 -7.749 441 HA LEU 76 HA LEU 76 -5.253 8.127 -4.965 442 HB3 LEU 76 2HB LEU 76 -5.947 10.321 -5.851 443 HG LEU 76 HG LEU 76 -6.653 9.370 -8.231 444 HD11 LEU 76 1HD1 LEU 76 -8.353 7.804 -7.826 445 HD12 LEU 76 2HD1 LEU 76 -9.274 9.245 -8.193 446 HD13 LEU 76 3HD1 LEU 76 -9.066 8.755 -6.504 447 HD21 LEU 76 3HD2 LEU 76 -6.751 11.726 -7.551 448 HD22 LEU 76 1HD2 LEU 76 -8.269 11.432 -6.675 449 HD23 LEU 76 2HD2 LEU 76 -8.210 11.296 -8.443 450 H VAL 77 H VAL 77 -7.738 6.984 -5.259 451 HA VAL 77 HA VAL 77 -7.512 4.904 -7.352 452 HB VAL 77 HB VAL 77 -7.689 4.451 -4.363 453 HG11 VAL 77 1HG1 VAL 77 -8.415 2.415 -6.507 454 HG12 VAL 77 2HG1 VAL 77 -8.193 2.056 -4.783 455 HG13 VAL 77 3HG1 VAL 77 -9.499 3.116 -5.284 456 HG21 VAL 77 3HG2 VAL 77 -5.897 2.779 -4.780 457 HG22 VAL 77 1HG2 VAL 77 -5.930 3.191 -6.511 458 HG23 VAL 77 2HG2 VAL 77 -5.416 4.388 -5.315 459 H GLN 78 H GLN 78 -9.535 4.121 -8.018 460 HA GLN 78 HA GLN 78 -11.870 5.795 -7.493 461 HB3 GLN 78 2HB GLN 78 -12.768 4.472 -9.415 462 HG3 GLN 78 2HG GLN 78 -10.000 5.672 -9.826 463 HE21 GLN 78 1HE2 GLN 78 -9.196 5.819 -12.010 464 HE22 GLN 78 2HE2 GLN 78 -10.070 5.069 -13.319 465 H SER 79 H SER 79 -13.776 5.005 -6.726 466 HA SER 79 HA SER 79 -13.764 3.160 -4.637 467 HB3 SER 79 2HB SER 79 -16.276 4.070 -6.085 468 HG SER 79 HG SER 79 -16.691 4.711 -3.849 469 H SER 80 H SER 80 -14.624 2.611 -8.055 470 HA SER 80 HA SER 80 -16.001 0.190 -7.883 471 HB3 SER 80 2HB SER 80 -15.813 1.365 -9.968 472 HG SER 80 HG SER 80 -13.001 0.921 -9.810 473 H SER 81 H SER 81 -12.582 0.897 -7.396 474 HA SER 81 HA SER 81 -11.659 -1.815 -7.680 475 HB3 SER 81 2HB SER 81 -9.518 -0.859 -7.164 476 HG SER 81 HG SER 81 -9.530 0.858 -8.695 477 H LEU 82 H LEU 82 -12.353 0.519 -5.002 478 HA LEU 82 HA LEU 82 -11.385 -0.974 -2.853 479 HB3 LEU 82 2HB LEU 82 -13.230 0.422 -1.610 480 HG LEU 82 HG LEU 82 -12.087 2.594 -2.121 481 HD11 LEU 82 1HD1 LEU 82 -10.131 0.324 -1.455 482 HD12 LEU 82 2HD1 LEU 82 -11.236 1.085 -0.287 483 HD13 LEU 82 3HD1 LEU 82 -9.951 2.024 -1.008 484 HD21 LEU 82 3HD2 LEU 82 -11.457 2.282 -4.308 485 HD22 LEU 82 1HD2 LEU 82 -10.139 1.174 -3.778 486 HD23 LEU 82 2HD2 LEU 82 -10.228 2.883 -3.197 487 H SER 83 H SER 83 -14.573 -1.071 -4.386 488 HA SER 83 HA SER 83 -15.979 -2.673 -2.591 489 HB3 SER 83 2HB SER 83 -16.092 -3.188 -5.590 490 HG SER 83 HG SER 83 -17.644 -4.220 -4.218 491 H ASN 84 H ASN 84 -13.661 -3.763 -5.087 492 HA ASN 84 HA ASN 84 -14.022 -6.595 -4.415 493 HB3 ASN 84 2HB ASN 84 -12.503 -6.994 -6.281 494 HD21 ASN 84 1HD2 ASN 84 -12.937 -4.525 -8.362 495 HD22 ASN 84 2HD2 ASN 84 -14.620 -4.763 -8.747 496 H ALA 85 H ALA 85 -12.271 -4.169 -2.930 497 HA ALA 85 HA ALA 85 -9.616 -5.364 -2.723 498 HB1 ALA 85 1HB ALA 85 -9.267 -3.673 -1.067 499 HB2 ALA 85 2HB ALA 85 -10.002 -2.923 -2.505 500 HB3 ALA 85 3HB ALA 85 -10.980 -3.254 -1.041 501 H HIS 86 H HIS 86 -8.839 -6.588 -1.256 502 HA HIS 86 HA HIS 86 -10.582 -8.218 0.381 503 HB3 HIS 86 2HB HIS 86 -7.575 -7.921 0.058 504 HD1 HIS 86 1HD HIS 86 -10.194 -10.613 1.210 505 HD2 HIS 86 2HD HIS 86 -6.379 -9.022 2.133 506 HE1 HIS 86 1HE HIS 86 -9.351 -11.911 3.178 507 H ILE 87 H ILE 87 -10.416 -8.421 2.700 508 HA ILE 87 HA ILE 87 -9.962 -5.815 4.032 509 HB ILE 87 HB ILE 87 -12.200 -7.812 4.521 510 HG13 ILE 87 2HG1 ILE 87 -13.762 -6.382 3.391 511 HG21 ILE 87 1HG2 ILE 87 -11.743 -6.421 6.485 512 HG22 ILE 87 2HG2 ILE 87 -11.782 -4.960 5.491 513 HG23 ILE 87 3HG2 ILE 87 -13.262 -5.896 5.731 514 HD11 ILE 87 3HD1 ILE 87 -11.421 -4.572 2.771 515 HD12 ILE 87 1HD1 ILE 87 -12.973 -4.508 1.914 516 HD13 ILE 87 2HD1 ILE 87 -12.907 -4.127 3.642 517 H ASP 88 H ASP 88 -9.077 -5.801 5.978 518 HA ASP 88 HA ASP 88 -7.349 -7.941 6.754 519 HB3 ASP 88 2HB ASP 88 -7.935 -5.287 8.132 520 H TYR 89 H TYR 89 -9.321 -9.403 7.135 521 HA TYR 89 HA TYR 89 -10.681 -9.243 9.704 522 HB3 TYR 89 2HB TYR 89 -11.069 -11.730 9.239 523 HD1 TYR 89 1HD TYR 89 -11.687 -8.595 7.191 524 HD2 TYR 89 2HD TYR 89 -13.280 -12.319 8.686 525 HE1 TYR 89 1HE TYR 89 -13.953 -7.925 6.476 526 HE2 TYR 89 2HE TYR 89 -15.541 -11.634 7.942 527 HH TYR 89 HH TYR 89 -16.737 -10.042 6.551 528 H THR 90 H THR 90 -8.676 -8.624 10.677 529 HA THR 90 HA THR 90 -7.765 -10.915 12.289 530 HB THR 90 HB THR 90 -5.574 -9.837 12.621 531 HG1 THR 90 1HG THR 90 -5.951 -8.138 10.400 532 HG21 THR 90 3HG2 THR 90 -6.053 -10.281 9.646 533 HG22 THR 90 1HG2 THR 90 -5.761 -11.558 10.851 534 HG23 THR 90 2HG2 THR 90 -4.506 -10.361 10.512 535 H THR 91 H THR 91 -8.692 -7.523 11.921 536 HA THR 91 HA THR 91 -9.784 -7.615 14.648 537 HB THR 91 HB THR 91 -8.910 -5.046 14.686 538 HG1 THR 91 1HG THR 91 -6.847 -6.554 13.468 539 HG21 THR 91 3HG2 THR 91 -7.559 -7.472 15.885 540 HG22 THR 91 1HG2 THR 91 -8.668 -6.311 16.623 541 HG23 THR 91 2HG2 THR 91 -7.030 -5.818 16.217 542 H LYS 92 H LYS 92 -9.583 -5.606 11.538 543 HA LYS 92 HA LYS 92 -12.323 -4.663 12.241 544 HB3 LYS 92 2HB LYS 92 -10.672 -3.099 13.056 545 HG3 LYS 92 2HG LYS 92 -9.924 -1.837 10.628 546 HD3 LYS 92 2HD LYS 92 -7.589 -2.076 11.442 547 HE3 LYS 92 2HE LYS 92 -9.601 -1.452 13.650 548 HZ1 LYS 92 3HZ LYS 92 -6.895 -0.326 13.624 549 HZ2 LYS 92 1HZ LYS 92 -7.174 -1.818 14.287 550 HZ3 LYS 92 2HZ LYS 92 -7.975 -0.543 14.863 551 HA PRO 93 HA PRO 93 -13.013 -5.070 7.905 552 HB3 PRO 93 2HB PRO 93 -15.264 -4.929 8.454 553 HG3 PRO 93 2HG PRO 93 -16.048 -3.231 9.953 554 HD3 PRO 93 2HD PRO 93 -14.343 -4.365 11.202 555 H ALA 94 H ALA 94 -10.870 -3.976 7.913 556 HA ALA 94 HA ALA 94 -11.025 -1.402 6.329 557 HB1 ALA 94 1HB ALA 94 -8.708 -2.589 7.947 558 HB2 ALA 94 2HB ALA 94 -8.708 -1.047 7.078 559 HB3 ALA 94 3HB ALA 94 -9.778 -1.280 8.465 560 H ILE 95 H ILE 95 -9.856 -1.147 4.481 561 HA ILE 95 HA ILE 95 -9.063 -3.542 3.004 562 HB ILE 95 HB ILE 95 -9.356 -0.562 2.401 563 HG13 ILE 95 2HG1 ILE 95 -11.311 -2.253 2.686 564 HG21 ILE 95 1HG2 ILE 95 -8.917 -1.211 -0.024 565 HG22 ILE 95 2HG2 ILE 95 -7.485 -1.234 1.008 566 HG23 ILE 95 3HG2 ILE 95 -8.272 -2.756 0.591 567 HD11 ILE 95 3HD1 ILE 95 -12.643 -1.670 0.830 568 HD12 ILE 95 1HD1 ILE 95 -11.709 -0.253 1.330 569 HD13 ILE 95 2HD1 ILE 95 -11.241 -1.191 -0.121 570 H ILE 96 H ILE 96 -7.019 -4.211 2.580 571 HA ILE 96 HA ILE 96 -4.786 -2.850 3.927 572 HB ILE 96 HB ILE 96 -5.123 -5.515 2.495 573 HG13 ILE 96 2HG1 ILE 96 -4.592 -6.490 4.685 574 HG21 ILE 96 1HG2 ILE 96 -2.907 -5.017 1.913 575 HG22 ILE 96 2HG2 ILE 96 -2.527 -4.339 3.506 576 HG23 ILE 96 3HG2 ILE 96 -2.800 -6.085 3.305 577 HD11 ILE 96 3HD1 ILE 96 -5.033 -3.774 5.953 578 HD12 ILE 96 1HD1 ILE 96 -4.445 -5.272 6.693 579 HD13 ILE 96 2HD1 ILE 96 -3.390 -4.359 5.619 580 H PHE 97 H PHE 97 -2.985 -2.033 2.955 581 HA PHE 97 HA PHE 97 -2.916 -1.807 -0.026 582 HB3 PHE 97 2HB PHE 97 -1.792 0.421 0.391 583 HD1 PHE 97 1HD PHE 97 -3.496 0.410 -1.454 584 HD2 PHE 97 2HD PHE 97 -4.624 0.708 2.705 585 HE1 PHE 97 1HE PHE 97 -5.813 0.946 -2.121 586 HE2 PHE 97 2HE PHE 97 -6.936 1.290 2.005 587 HZ PHE 97 HZ PHE 97 -7.540 1.355 -0.367 588 H ARG 98 H ARG 98 -0.836 -2.193 -0.952 589 HA ARG 98 HA ARG 98 1.474 -2.604 0.914 590 HB3 ARG 98 2HB ARG 98 2.357 -3.917 -1.069 591 HG3 ARG 98 2HG ARG 98 1.704 -4.960 1.081 592 HD3 ARG 98 2HD ARG 98 -0.861 -5.555 -0.385 593 HE ARG 98 HE ARG 98 -0.966 -7.443 0.767 594 HH11 ARG 98 1HH1 ARG 98 1.038 -5.360 2.939 595 HH12 ARG 98 2HH1 ARG 98 0.647 -6.346 4.306 596 HH21 ARG 98 1HH2 ARG 98 -0.997 -8.877 2.508 597 HH22 ARG 98 2HH2 ARG 98 -0.481 -8.355 4.070 598 H ILE 99 H ILE 99 2.319 -0.462 0.768 599 HA ILE 99 HA ILE 99 2.793 0.569 -2.008 600 HB ILE 99 HB ILE 99 2.525 2.175 0.556 601 HG13 ILE 99 2HG1 ILE 99 0.302 1.102 -0.608 602 HG21 ILE 99 1HG2 ILE 99 2.659 3.120 -2.346 603 HG22 ILE 99 2HG2 ILE 99 2.583 4.134 -0.896 604 HG23 ILE 99 3HG2 ILE 99 4.018 3.159 -1.228 605 HD11 ILE 99 3HD1 ILE 99 0.604 3.929 0.406 606 HD12 ILE 99 1HD1 ILE 99 -0.942 3.285 -0.200 607 HD13 ILE 99 2HD1 ILE 99 -0.158 2.532 1.187 608 H ALA 100 H ALA 100 4.989 0.784 -2.531 609 HA ALA 100 HA ALA 100 6.834 1.124 -0.279 610 HB1 ALA 100 1HB ALA 100 7.147 -1.227 -0.615 611 HB2 ALA 100 2HB ALA 100 7.148 -1.061 -2.367 612 HB3 ALA 100 3HB ALA 100 8.509 -0.428 -1.408 613 H ALA 101 H ALA 101 8.644 2.290 -0.881 614 HA ALA 101 HA ALA 101 8.479 3.987 -3.262 615 HB1 ALA 101 1HB ALA 101 9.393 4.694 -0.976 616 HB2 ALA 101 2HB ALA 101 10.814 3.684 -1.362 617 HB3 ALA 101 3HB ALA 101 10.321 5.048 -2.425 618 H ARG 102 H ARG 102 9.358 3.483 -5.142 619 HA ARG 102 HA ARG 102 10.571 0.861 -5.637 620 HB3 ARG 102 2HB ARG 102 10.181 3.147 -7.604 621 HG3 ARG 102 2HG ARG 102 9.319 1.003 -8.930 622 HD3 ARG 102 2HD ARG 102 12.337 1.111 -8.727 623 HE ARG 102 HE ARG 102 11.225 1.753 -11.269 624 HH11 ARG 102 1HH1 ARG 102 11.415 -1.215 -9.280 625 HH12 ARG 102 2HH1 ARG 102 10.898 -2.218 -10.628 626 HH21 ARG 102 1HH2 ARG 102 10.830 0.510 -12.907 627 HH22 ARG 102 2HH2 ARG 102 10.592 -1.207 -12.788 628 H ASN 103 H ASN 103 12.590 0.883 -4.685 629 HA ASN 103 HA ASN 103 14.452 3.083 -5.380 630 HB3 ASN 103 2HB ASN 103 14.043 3.248 -3.047 631 HD21 ASN 103 1HD2 ASN 103 14.283 2.316 -0.746 632 HD22 ASN 103 2HD2 ASN 103 13.302 0.863 -0.661 633 H GLU 104 H GLU 104 16.662 2.478 -5.397 634 HA GLU 104 HA GLU 104 17.295 0.242 -7.011 635 HB3 GLU 104 2HB GLU 104 19.684 0.731 -5.961 636 HG3 GLU 104 2HG GLU 104 18.441 3.001 -7.477 637 H LYS 105 H LYS 105 16.887 0.457 -3.575 638 HA LYS 105 HA LYS 105 18.515 -1.690 -2.669 639 HB3 LYS 105 2HB LYS 105 16.207 -1.695 -1.028 640 HG3 LYS 105 2HG LYS 105 18.601 -1.536 -0.323 641 HD3 LYS 105 2HD LYS 105 18.220 1.463 -0.548 642 HE3 LYS 105 2HE LYS 105 20.075 0.193 0.883 643 HZ1 LYS 105 3HZ LYS 105 21.028 -1.053 -0.877 644 HZ2 LYS 105 1HZ LYS 105 22.121 0.130 -0.521 645 HZ3 LYS 105 2HZ LYS 105 21.184 0.242 -1.862 646 H GLY 106 H GLY 106 15.676 -1.843 -4.552 647 HA2 GLY 106 1HA GLY 106 15.064 -3.960 -5.644 648 HA3 GLY 106 2HA GLY 106 15.703 -4.806 -4.235 649 H TYR 107 H TYR 107 13.616 -2.138 -4.314 650 HA TYR 107 HA TYR 107 11.593 -1.572 -3.509 651 HB3 TYR 107 2HB TYR 107 10.617 -4.237 -4.355 652 HD1 TYR 107 2HD TYR 107 9.180 -1.656 -3.370 653 HD2 TYR 107 1HD TYR 107 10.366 -2.974 -7.292 654 HE1 TYR 107 2HE TYR 107 7.480 -0.145 -4.399 655 HE2 TYR 107 1HE TYR 107 8.715 -1.396 -8.316 656 HH TYR 107 HH TYR 107 6.808 0.810 -6.321 657 H GLY 108 H GLY 108 13.209 -2.799 -1.481 658 HA2 GLY 108 1HA GLY 108 12.152 -5.135 -0.382 659 HA3 GLY 108 2HA GLY 108 13.343 -4.115 0.415 660 HA PRO 109 HA PRO 109 10.372 -3.147 3.410 661 HB3 PRO 109 2HB PRO 109 12.013 -1.931 4.410 662 HG3 PRO 109 2HG PRO 109 13.285 -0.236 3.207 663 HD3 PRO 109 2HD PRO 109 13.591 -2.360 2.154 664 H ALA 110 H ALA 110 8.275 -2.691 3.526 665 HA ALA 110 HA ALA 110 6.992 -0.724 1.740 666 HB1 ALA 110 1HB ALA 110 6.031 -3.590 2.229 667 HB2 ALA 110 2HB ALA 110 5.229 -2.356 1.230 668 HB3 ALA 110 3HB ALA 110 6.787 -3.035 0.718 669 H THR 111 H THR 111 4.801 -0.235 2.614 670 HA THR 111 HA THR 111 4.557 -0.719 5.555 671 HB THR 111 HB THR 111 3.757 1.729 4.000 672 HG1 THR 111 1HG THR 111 5.520 2.636 5.008 673 HG21 THR 111 3HG2 THR 111 3.686 1.026 6.977 674 HG22 THR 111 1HG2 THR 111 2.292 1.349 5.933 675 HG23 THR 111 2HG2 THR 111 3.424 2.657 6.319 676 H GLN 112 H GLN 112 2.769 -1.688 6.220 677 HA GLN 112 HA GLN 112 0.609 -2.246 4.272 678 HB3 GLN 112 2HB GLN 112 1.190 -3.434 7.027 679 HG3 GLN 112 2HG GLN 112 -0.829 -4.143 4.878 680 HE21 GLN 112 1HE2 GLN 112 -2.251 -5.217 7.636 681 HE22 GLN 112 2HE2 GLN 112 -1.741 -6.851 7.574 682 H VAL 113 H VAL 113 -0.931 -0.454 4.407 683 HA VAL 113 HA VAL 113 -1.636 0.307 7.172 684 HB VAL 113 HB VAL 113 -2.396 2.321 6.330 685 HG11 VAL 113 1HG1 VAL 113 0.112 2.038 6.755 686 HG12 VAL 113 2HG1 VAL 113 0.296 1.866 4.993 687 HG13 VAL 113 3HG1 VAL 113 -0.299 3.385 5.687 688 HG21 VAL 113 3HG2 VAL 113 -2.236 3.225 4.140 689 HG22 VAL 113 1HG2 VAL 113 -1.570 1.730 3.504 690 HG23 VAL 113 2HG2 VAL 113 -3.247 1.780 4.100 691 H ARG 114 H ARG 114 -3.924 0.741 7.458 692 HA ARG 114 HA ARG 114 -5.600 -1.087 5.864 693 HB3 ARG 114 2HB ARG 114 -6.554 -1.981 7.749 694 HG3 ARG 114 2HG ARG 114 -3.966 -2.464 7.683 695 HD3 ARG 114 2HD ARG 114 -4.237 -1.317 10.490 696 HE ARG 114 HE ARG 114 -2.419 -3.049 9.584 697 HH11 ARG 114 1HH1 ARG 114 -2.175 0.109 11.010 698 HH12 ARG 114 2HH1 ARG 114 -0.468 0.226 10.963 699 HH21 ARG 114 1HH2 ARG 114 -0.046 -3.041 9.750 700 HH22 ARG 114 2HH2 ARG 114 0.767 -1.574 10.197 701 H TRP 115 H TRP 115 -7.543 -0.134 5.181 702 HA TRP 115 HA TRP 115 -8.227 2.533 6.347 703 HB3 TRP 115 2HB TRP 115 -8.813 1.503 3.527 704 HD1 TRP 115 HD TRP 115 -8.225 4.883 5.377 705 HE1 TRP 115 1HE TRP 115 -9.689 6.638 4.341 706 HE3 TRP 115 3HE TRP 115 -10.775 1.863 2.140 707 HZ2 TRP 115 2HZ TRP 115 -11.801 6.756 2.267 708 HZ3 TRP 115 3HZ TRP 115 -12.261 2.930 0.362 709 HH2 TRP 115 HH TRP 115 -12.849 5.329 0.539 710 H LEU 116 H LEU 116 -9.647 2.183 7.699 711 HA LEU 116 HA LEU 116 -11.692 0.177 7.482 712 HB3 LEU 116 2HB LEU 116 -11.205 -0.057 9.526 713 HG LEU 116 HG LEU 116 -10.045 1.552 11.034 714 HD11 LEU 116 1HD1 LEU 116 -8.711 -0.128 10.086 715 HD12 LEU 116 2HD1 LEU 116 -7.782 1.369 10.048 716 HD13 LEU 116 3HD1 LEU 116 -8.545 0.722 8.580 717 HD21 LEU 116 3HD2 LEU 116 -10.808 3.500 9.344 718 HD22 LEU 116 1HD2 LEU 116 -9.073 3.341 8.909 719 HD23 LEU 116 2HD2 LEU 116 -9.591 3.635 10.575 720 H GLN 117 H GLN 117 -11.389 3.386 6.852 721 HA GLN 117 HA GLN 117 -14.079 4.406 7.349 722 HB3 GLN 117 2HB GLN 117 -13.010 6.018 5.350 723 HG3 GLN 117 2HG GLN 117 -13.208 6.179 8.244 724 HE21 GLN 117 1HE2 GLN 117 -11.467 8.784 6.656 725 HE22 GLN 117 2HE2 GLN 117 -9.958 8.541 7.524 726 H GLU 118 H GLU 118 -13.223 1.818 5.346 727 HA GLU 118 HA GLU 118 -14.268 2.802 2.872 728 HB3 GLU 118 2HB GLU 118 -12.675 1.133 2.928 729 HG3 GLU 118 2HG GLU 118 -13.356 -0.154 4.941 730 H THR 119 H THR 119 -15.969 2.241 5.672 731 HA THR 119 HA THR 119 -18.044 0.658 5.358 732 HB THR 119 HB THR 119 -18.499 3.402 6.501 733 HG1 THR 119 1HG THR 119 -16.681 1.490 7.499 734 HG21 THR 119 3HG2 THR 119 -19.508 2.194 8.363 735 HG22 THR 119 1HG2 THR 119 -19.013 0.632 7.654 736 HG23 THR 119 2HG2 THR 119 -20.227 1.649 6.856 737 H SER 120 H SER 120 -20.161 0.631 4.564 738 HA SER 120 HA SER 120 -20.745 2.505 2.344 739 HB3 SER 120 2HB SER 120 -19.976 0.584 1.358 740 HG SER 120 HG SER 120 -20.195 -1.442 2.114 741 H LYS 121 H LYS 121 -22.182 3.797 3.366 742 HA LYS 121 HA LYS 121 -24.115 4.568 4.235 743 HB3 LYS 121 2HB LYS 121 -25.558 2.031 4.743 744 HG3 LYS 121 2HG LYS 121 -26.575 4.425 4.522 745 HD3 LYS 121 2HD LYS 121 -26.097 3.676 1.599 746 HE3 LYS 121 2HE LYS 121 -27.974 5.731 2.806 747 HZ1 LYS 121 3HZ LYS 121 -27.025 5.421 0.025 748 HZ2 LYS 121 1HZ LYS 121 -26.964 6.757 0.965 749 HZ3 LYS 121 2HZ LYS 121 -28.418 6.211 0.444 750 H ASP 122 H ASP 122 -25.624 3.623 6.409 751 HA ASP 122 HA ASP 122 -25.596 3.691 8.633 752 HB3 ASP 122 2HB ASP 122 -24.109 1.846 9.680 753 H SER 123 H SER 123 -24.934 5.814 8.653 754 HA SER 123 HA SER 123 -23.785 7.557 9.480 755 HB3 SER 123 2HB SER 123 -22.836 7.253 11.698 756 HG SER 123 HG SER 123 -24.898 5.346 11.662 757 H SER 124 H SER 124 -21.029 7.491 10.775 758 HA SER 124 HA SER 124 -19.007 8.194 10.015 759 HB3 SER 124 2HB SER 124 -17.746 6.292 8.949 760 HG SER 124 HG SER 124 -17.946 5.040 10.740 761 H GLY 125 H GLY 125 -20.831 9.530 8.462 762 HA2 GLY 125 1HA GLY 125 -19.096 10.025 6.118 763 HA3 GLY 125 2HA GLY 125 -20.825 9.802 5.853 764 H THR 126 H THR 126 -18.544 11.551 7.963 765 HA THR 126 HA THR 126 -19.463 14.104 7.175 766 HB THR 126 HB THR 126 -21.076 13.715 8.942 767 HG1 THR 126 1HG THR 126 -20.421 15.434 10.374 768 HG21 THR 126 3HG2 THR 126 -19.765 12.022 10.295 769 HG22 THR 126 1HG2 THR 126 -20.582 13.273 11.218 770 HG23 THR 126 2HG2 THR 126 -18.831 13.392 10.946 Start of MODEL 11 1 H1 GLY 1 H GLY 1 25.318 -10.218 10.874 2 HA2 GLY 1 1HA GLY 1 23.131 -11.917 9.827 3 HA3 GLY 1 2HA GLY 1 22.907 -10.515 10.889 4 H CYS 2 H CYS 2 24.098 -8.516 9.921 5 HA CYS 2 HA CYS 2 23.201 -6.751 9.138 6 HB3 CYS 2 2HB CYS 2 23.527 -7.494 6.713 7 HG CYS 2 HG CYS 2 21.815 -9.596 6.826 8 H LEU 3 H LEU 3 20.408 -6.592 8.389 9 HA LEU 3 HA LEU 3 19.132 -7.931 10.703 10 HB3 LEU 3 2HB LEU 3 18.035 -5.363 10.646 11 HG LEU 3 HG LEU 3 18.756 -6.830 12.655 12 HD11 LEU 3 1HD1 LEU 3 21.143 -7.040 12.288 13 HD12 LEU 3 2HD1 LEU 3 20.916 -6.027 13.730 14 HD13 LEU 3 3HD1 LEU 3 21.341 -5.305 12.169 15 HD21 LEU 3 3HD2 LEU 3 17.688 -4.575 12.752 16 HD22 LEU 3 1HD2 LEU 3 19.301 -3.848 12.846 17 HD23 LEU 3 2HD2 LEU 3 18.711 -4.965 14.126 18 HA PRO 4 HA PRO 4 15.764 -8.436 7.879 19 HB3 PRO 4 2HB PRO 4 14.413 -9.261 9.560 20 HG3 PRO 4 2HG PRO 4 14.429 -8.263 11.747 21 HD3 PRO 4 2HD PRO 4 16.698 -8.789 11.224 22 H GLY 5 H GLY 5 14.719 -7.253 6.280 23 HA2 GLY 5 1HA GLY 5 13.742 -5.495 5.222 24 HA3 GLY 5 2HA GLY 5 13.800 -4.532 6.712 25 H PHE 6 H PHE 6 14.368 -2.896 5.081 26 HA PHE 6 HA PHE 6 17.231 -2.550 4.657 27 HB3 PHE 6 2HB PHE 6 15.805 -1.596 2.308 28 HD1 PHE 6 1HD PHE 6 17.294 -5.031 2.926 29 HD2 PHE 6 2HD PHE 6 17.795 -1.144 1.104 30 HE1 PHE 6 1HE PHE 6 19.335 -5.818 1.754 31 HE2 PHE 6 2HE PHE 6 19.842 -1.927 -0.052 32 HZ PHE 6 HZ PHE 6 20.599 -4.296 0.266 33 HA PRO 7 HA PRO 7 15.782 1.642 5.600 34 HB3 PRO 7 2HB PRO 7 17.885 2.529 5.456 35 HG3 PRO 7 2HG PRO 7 19.492 1.647 3.953 36 HD3 PRO 7 2HD PRO 7 18.635 -0.215 5.131 37 H GLY 8 H GLY 8 14.016 2.679 4.896 38 HA2 GLY 8 1HA GLY 8 12.976 4.058 3.340 39 HA3 GLY 8 2HA GLY 8 13.544 3.011 2.025 40 H ALA 9 H ALA 9 11.040 3.762 3.884 41 HA ALA 9 HA ALA 9 9.371 2.472 1.997 42 HB1 ALA 9 1HB ALA 9 8.760 1.783 4.911 43 HB2 ALA 9 2HB ALA 9 7.955 1.178 3.452 44 HB3 ALA 9 3HB ALA 9 9.596 0.665 3.805 45 HA PRO 10 HA PRO 10 7.593 6.413 2.678 46 HB3 PRO 10 2HB PRO 10 6.072 6.022 0.992 47 HG3 PRO 10 2HG PRO 10 5.098 3.908 0.708 48 HD3 PRO 10 2HD PRO 10 7.435 3.649 0.810 49 H CYS 11 H CYS 11 6.274 7.792 4.117 50 HA CYS 11 HA CYS 11 5.265 6.512 6.578 51 HB3 CYS 11 2HB CYS 11 6.373 8.152 7.991 52 HG CYS 11 HG CYS 11 8.802 7.146 6.044 53 H ALA 12 H ALA 12 4.237 8.325 7.937 54 HA ALA 12 HA ALA 12 2.582 9.691 8.323 55 HB1 ALA 12 1HB ALA 12 4.399 11.276 7.340 56 HB2 ALA 12 2HB ALA 12 3.298 11.393 5.953 57 HB3 ALA 12 3HB ALA 12 2.770 11.875 7.584 58 H ILE 13 H ILE 13 2.150 7.494 6.260 59 HA ILE 13 HA ILE 13 0.522 8.421 4.227 60 HB ILE 13 HB ILE 13 0.476 5.666 5.513 61 HG13 ILE 13 2HG1 ILE 13 2.406 7.084 3.797 62 HG21 ILE 13 1HG2 ILE 13 -0.563 6.541 2.782 63 HG22 ILE 13 2HG2 ILE 13 -0.381 4.880 3.302 64 HG23 ILE 13 3HG2 ILE 13 -1.530 5.936 4.132 65 HD11 ILE 13 3HD1 ILE 13 3.105 5.810 5.756 66 HD12 ILE 13 1HD1 ILE 13 2.433 4.325 5.055 67 HD13 ILE 13 2HD1 ILE 13 3.800 5.115 4.272 68 H LYS 14 H LYS 14 -1.439 9.171 4.103 69 HA LYS 14 HA LYS 14 -3.397 8.691 6.311 70 HB3 LYS 14 2HB LYS 14 -4.668 10.552 5.453 71 HG3 LYS 14 2HG LYS 14 -1.822 11.593 5.727 72 HD3 LYS 14 2HD LYS 14 -4.505 12.766 6.570 73 HE3 LYS 14 2HE LYS 14 -1.864 13.431 7.329 74 HZ1 LYS 14 3HZ LYS 14 -1.595 14.596 5.229 75 HZ2 LYS 14 1HZ LYS 14 -1.638 15.633 6.498 76 HZ3 LYS 14 2HZ LYS 14 -2.951 15.498 5.506 77 H ILE 15 H ILE 15 -5.349 7.768 5.660 78 HA ILE 15 HA ILE 15 -5.925 7.735 2.827 79 HB ILE 15 HB ILE 15 -6.476 5.211 4.414 80 HG13 ILE 15 2HG1 ILE 15 -4.076 5.434 4.253 81 HG21 ILE 15 1HG2 ILE 15 -7.865 5.832 2.325 82 HG22 ILE 15 2HG2 ILE 15 -6.364 5.636 1.391 83 HG23 ILE 15 3HG2 ILE 15 -7.080 4.263 2.257 84 HD11 ILE 15 3HD1 ILE 15 -4.859 3.134 4.034 85 HD12 ILE 15 1HD1 ILE 15 -5.058 3.341 2.274 86 HD13 ILE 15 2HD1 ILE 15 -3.453 3.408 2.985 87 H SER 16 H SER 16 -7.939 8.303 2.541 88 HA SER 16 HA SER 16 -9.943 8.509 4.760 89 HB3 SER 16 2HB SER 16 -9.220 11.017 3.227 90 HG SER 16 HG SER 16 -10.807 11.495 4.547 91 H LYS 17 H LYS 17 -12.008 8.657 4.102 92 HA LYS 17 HA LYS 17 -12.465 7.586 1.435 93 HB3 LYS 17 2HB LYS 17 -14.350 8.355 3.679 94 HG3 LYS 17 2HG LYS 17 -14.574 6.479 1.269 95 HD3 LYS 17 2HD LYS 17 -16.606 6.493 3.525 96 HE3 LYS 17 2HE LYS 17 -16.941 4.129 2.566 97 HZ1 LYS 17 3HZ LYS 17 -18.510 5.739 1.835 98 HZ2 LYS 17 1HZ LYS 17 -18.079 4.820 0.541 99 HZ3 LYS 17 2HZ LYS 17 -17.509 6.335 0.676 100 H SER 18 H SER 18 -14.110 8.458 -0.086 101 HA SER 18 HA SER 18 -14.807 11.249 0.005 102 HB3 SER 18 2HB SER 18 -12.912 12.017 -0.925 103 HG SER 18 HG SER 18 -12.250 9.344 -1.646 104 HA PRO 19 HA PRO 19 -17.940 9.551 -2.653 105 HB3 PRO 19 2HB PRO 19 -18.907 11.626 -2.851 106 HG3 PRO 19 2HG PRO 19 -17.549 13.601 -3.155 107 HD3 PRO 19 2HD PRO 19 -16.699 12.505 -1.246 108 H ASP 20 H ASP 20 -14.912 10.369 -4.081 109 HA ASP 20 HA ASP 20 -15.578 9.229 -6.733 110 HB3 ASP 20 2HB ASP 20 -13.328 10.974 -5.688 111 H GLY 21 H GLY 21 -13.652 8.599 -3.877 112 HA2 GLY 21 1HA GLY 21 -12.636 6.095 -4.558 113 HA3 GLY 21 2HA GLY 21 -11.445 7.340 -5.055 114 H ALA 22 H ALA 22 -10.123 6.340 -3.325 115 HA ALA 22 HA ALA 22 -10.794 7.520 -0.641 116 HB1 ALA 22 1HB ALA 22 -8.833 5.300 -1.346 117 HB2 ALA 22 2HB ALA 22 -8.919 6.132 0.219 118 HB3 ALA 22 3HB ALA 22 -10.288 5.159 -0.329 119 H HIS 23 H HIS 23 -9.613 9.240 -0.117 120 HA HIS 23 HA HIS 23 -7.473 10.408 -1.701 121 HB3 HIS 23 2HB HIS 23 -7.024 11.507 0.602 122 HD1 HIS 23 1HD HIS 23 -7.467 13.335 -1.456 123 HD2 HIS 23 2HD HIS 23 -10.807 11.732 0.540 124 HE1 HIS 23 1HE HIS 23 -9.467 14.832 -2.061 125 H LEU 24 H LEU 24 -5.607 9.259 -1.936 126 HA LEU 24 HA LEU 24 -4.450 7.760 0.361 127 HB3 LEU 24 2HB LEU 24 -2.865 7.234 -1.727 128 HG LEU 24 HG LEU 24 -4.214 5.354 -2.363 129 HD11 LEU 24 1HD1 LEU 24 -4.453 4.309 0.052 130 HD12 LEU 24 2HD1 LEU 24 -3.559 5.786 0.490 131 HD13 LEU 24 3HD1 LEU 24 -2.898 4.644 -0.688 132 HD21 LEU 24 3HD2 LEU 24 -6.419 6.057 -2.388 133 HD22 LEU 24 1HD2 LEU 24 -6.436 6.385 -0.649 134 HD23 LEU 24 2HD2 LEU 24 -6.325 4.720 -1.239 135 H THR 25 H THR 25 -2.496 8.768 1.268 136 HA THR 25 HA THR 25 -0.932 10.423 -0.577 137 HB THR 25 HB THR 25 -0.598 12.199 1.169 138 HG1 THR 25 1HG THR 25 -2.955 11.106 2.283 139 HG21 THR 25 3HG2 THR 25 -2.498 13.543 0.783 140 HG22 THR 25 1HG2 THR 25 -3.542 12.145 0.490 141 HG23 THR 25 2HG2 THR 25 -2.280 12.603 -0.699 142 H TRP 26 H TRP 26 1.282 10.598 0.135 143 HA TRP 26 HA TRP 26 2.025 9.512 2.769 144 HB3 TRP 26 2HB TRP 26 2.644 7.577 1.716 145 HD1 TRP 26 HD TRP 26 4.888 8.811 -1.036 146 HE1 TRP 26 1HE TRP 26 3.960 8.034 -3.288 147 HE3 TRP 26 3HE TRP 26 0.404 6.959 0.561 148 HZ2 TRP 26 2HZ TRP 26 1.391 7.006 -4.297 149 HZ3 TRP 26 3HZ TRP 26 -1.213 6.031 -1.037 150 HH2 TRP 26 HH TRP 26 -0.760 6.124 -3.492 151 H GLU 27 H GLU 27 4.177 10.275 3.420 152 HA GLU 27 HA GLU 27 4.821 12.924 2.245 153 HB3 GLU 27 2HB GLU 27 6.598 12.633 4.253 154 HG3 GLU 27 2HG GLU 27 3.672 13.330 4.727 155 HA PRO 28 HA PRO 28 8.635 11.299 0.399 156 HB3 PRO 28 2HB PRO 28 9.012 13.381 -0.478 157 HG3 PRO 28 2HG PRO 28 8.455 15.350 0.687 158 HD3 PRO 28 2HD PRO 28 6.467 14.123 0.833 159 HA PRO 29 HA PRO 29 10.713 9.473 3.641 160 HB3 PRO 29 2HB PRO 29 11.855 8.272 2.060 161 HG3 PRO 29 2HG PRO 29 12.926 9.355 0.197 162 HD3 PRO 29 2HD PRO 29 10.715 10.174 0.118 163 H SER 30 H SER 30 12.114 9.512 5.520 164 HA SER 30 HA SER 30 14.034 11.675 5.831 165 HB3 SER 30 2HB SER 30 12.049 11.396 8.076 166 HG SER 30 HG SER 30 13.841 12.898 7.991 167 H VAL 31 H VAL 31 14.786 9.239 5.330 168 HA VAL 31 HA VAL 31 16.031 8.713 7.841 169 HB VAL 31 HB VAL 31 15.003 6.260 6.363 170 HG11 VAL 31 1HG1 VAL 31 16.486 6.459 9.018 171 HG12 VAL 31 2HG1 VAL 31 15.958 4.973 8.205 172 HG13 VAL 31 3HG1 VAL 31 17.238 5.977 7.511 173 HG21 VAL 31 3HG2 VAL 31 14.108 7.346 9.055 174 HG22 VAL 31 1HG2 VAL 31 13.113 7.191 7.590 175 HG23 VAL 31 2HG2 VAL 31 13.715 5.751 8.420 176 H THR 32 H THR 32 16.286 6.568 4.969 177 HA THR 32 HA THR 32 18.424 8.044 3.704 178 HB THR 32 HB THR 32 19.509 7.270 5.802 179 HG1 THR 32 1HG THR 32 21.326 6.530 4.731 180 HG21 THR 32 3HG2 THR 32 18.178 4.979 5.804 181 HG22 THR 32 1HG2 THR 32 19.837 5.059 6.420 182 HG23 THR 32 2HG2 THR 32 19.519 4.428 4.799 183 H SER 33 H SER 33 15.995 7.114 2.661 184 HA SER 33 HA SER 33 16.213 4.477 1.553 185 HB3 SER 33 2HB SER 33 14.058 5.253 1.907 186 HG SER 33 HG SER 33 13.380 7.286 0.969 187 H GLY 34 H GLY 34 17.942 7.342 0.601 188 HA2 GLY 34 1HA GLY 34 19.596 7.284 -0.960 189 HA3 GLY 34 2HA GLY 34 19.030 5.700 -1.491 190 H LYS 35 H LYS 35 18.463 5.706 -3.530 191 HA LYS 35 HA LYS 35 17.720 8.224 -4.891 192 HB3 LYS 35 2HB LYS 35 19.875 7.351 -5.518 193 HG3 LYS 35 2HG LYS 35 18.950 5.007 -7.042 194 HD3 LYS 35 2HD LYS 35 20.687 3.841 -5.476 195 HE3 LYS 35 2HE LYS 35 21.086 4.392 -7.882 196 HZ1 LYS 35 3HZ LYS 35 22.909 6.202 -7.976 197 HZ2 LYS 35 1HZ LYS 35 22.126 6.880 -6.727 198 HZ3 LYS 35 2HZ LYS 35 21.342 6.636 -8.167 199 H ILE 36 H ILE 36 15.606 8.168 -4.680 200 HA ILE 36 HA ILE 36 13.862 5.901 -5.406 201 HB ILE 36 HB ILE 36 13.264 8.765 -4.528 202 HG13 ILE 36 2HG1 ILE 36 12.895 6.070 -3.155 203 HG21 ILE 36 1HG2 ILE 36 10.900 8.050 -4.351 204 HG22 ILE 36 2HG2 ILE 36 11.440 7.945 -6.017 205 HG23 ILE 36 3HG2 ILE 36 11.306 6.468 -5.048 206 HD11 ILE 36 3HD1 ILE 36 14.147 7.180 -1.272 207 HD12 ILE 36 1HD1 ILE 36 15.124 6.624 -2.626 208 HD13 ILE 36 2HD1 ILE 36 14.737 8.358 -2.449 209 H ILE 37 H ILE 37 13.123 5.527 -7.432 210 HA ILE 37 HA ILE 37 13.585 7.620 -9.495 211 HB ILE 37 HB ILE 37 14.030 5.753 -11.021 212 HG13 ILE 37 2HG1 ILE 37 12.876 3.946 -9.546 213 HG21 ILE 37 1HG2 ILE 37 15.838 7.051 -9.901 214 HG22 ILE 37 2HG2 ILE 37 15.941 5.818 -8.634 215 HG23 ILE 37 3HG2 ILE 37 16.343 5.419 -10.316 216 HD11 ILE 37 3HD1 ILE 37 15.644 3.283 -10.615 217 HD12 ILE 37 1HD1 ILE 37 14.376 2.130 -10.181 218 HD13 ILE 37 2HD1 ILE 37 14.123 3.254 -11.534 219 H GLU 38 H GLU 38 11.270 5.296 -8.132 220 HA GLU 38 HA GLU 38 9.139 6.679 -9.491 221 HB3 GLU 38 2HB GLU 38 9.432 3.662 -9.943 222 HG3 GLU 38 2HG GLU 38 7.442 5.746 -10.852 223 H TYR 39 H TYR 39 6.991 5.034 -8.566 224 HA TYR 39 HA TYR 39 7.585 4.164 -5.847 225 HB3 TYR 39 2HB TYR 39 5.165 5.756 -5.766 226 HD1 TYR 39 2HD TYR 39 5.227 4.697 -3.503 227 HD2 TYR 39 1HD TYR 39 8.366 7.320 -4.852 228 HE1 TYR 39 2HE TYR 39 6.054 4.889 -1.189 229 HE2 TYR 39 1HE TYR 39 9.209 7.504 -2.539 230 HH TYR 39 HH TYR 39 9.050 6.623 -0.370 231 H SER 40 H SER 40 5.485 3.041 -4.950 232 HA SER 40 HA SER 40 3.549 2.386 -6.999 233 HB3 SER 40 2HB SER 40 4.825 -0.082 -5.883 234 HG SER 40 HG SER 40 3.576 -0.731 -7.432 235 H VAL 41 H VAL 41 2.041 0.585 -6.136 236 HA VAL 41 HA VAL 41 1.387 0.654 -3.262 237 HB VAL 41 HB VAL 41 -0.587 1.590 -5.431 238 HG11 VAL 41 1HG1 VAL 41 -2.040 2.184 -3.547 239 HG12 VAL 41 2HG1 VAL 41 -1.613 0.474 -3.503 240 HG13 VAL 41 3HG1 VAL 41 -0.816 1.603 -2.395 241 HG21 VAL 41 3HG2 VAL 41 0.834 3.398 -3.460 242 HG22 VAL 41 1HG2 VAL 41 0.948 3.439 -5.240 243 HG23 VAL 41 2HG2 VAL 41 -0.570 3.841 -4.463 244 H TYR 42 H TYR 42 1.569 -1.464 -3.089 245 HA TYR 42 HA TYR 42 0.064 -3.213 -4.937 246 HB3 TYR 42 2HB TYR 42 0.926 -5.013 -3.698 247 HD1 TYR 42 2HD TYR 42 3.699 -2.710 -2.865 248 HD2 TYR 42 1HD TYR 42 2.098 -5.385 -5.860 249 HE1 TYR 42 2HE TYR 42 5.919 -2.860 -3.921 250 HE2 TYR 42 1HE TYR 42 4.313 -5.510 -6.926 251 HH TYR 42 HH TYR 42 6.670 -4.950 -6.724 252 H LEU 43 H LEU 43 -1.686 -4.474 -4.020 253 HA LEU 43 HA LEU 43 -2.961 -3.619 -1.520 254 HB3 LEU 43 2HB LEU 43 -4.089 -3.386 -4.342 255 HG LEU 43 HG LEU 43 -5.760 -4.681 -3.017 256 HD11 LEU 43 1HD1 LEU 43 -5.837 -2.232 -1.201 257 HD12 LEU 43 2HD1 LEU 43 -5.201 -3.821 -0.724 258 HD13 LEU 43 3HD1 LEU 43 -6.899 -3.648 -1.149 259 HD21 LEU 43 3HD2 LEU 43 -7.649 -3.099 -3.373 260 HD22 LEU 43 1HD2 LEU 43 -6.556 -3.207 -4.751 261 HD23 LEU 43 2HD2 LEU 43 -6.468 -1.809 -3.657 262 H ALA 44 H ALA 44 -3.594 -5.511 -0.557 263 HA ALA 44 HA ALA 44 -3.634 -8.057 -1.994 264 HB1 ALA 44 1HB ALA 44 -4.396 -8.911 0.214 265 HB2 ALA 44 2HB ALA 44 -2.850 -8.053 0.276 266 HB3 ALA 44 3HB ALA 44 -4.335 -7.260 0.863 267 H ILE 45 H ILE 45 -5.269 -8.547 -3.227 268 HA ILE 45 HA ILE 45 -8.054 -7.816 -2.497 269 HB ILE 45 HB ILE 45 -8.677 -8.778 -4.665 270 HG13 ILE 45 2HG1 ILE 45 -6.679 -10.320 -4.799 271 HG21 ILE 45 1HG2 ILE 45 -8.232 -6.337 -4.347 272 HG22 ILE 45 2HG2 ILE 45 -6.583 -6.581 -4.953 273 HG23 ILE 45 3HG2 ILE 45 -7.991 -6.893 -5.999 274 HD11 ILE 45 3HD1 ILE 45 -6.449 -10.243 -7.215 275 HD12 ILE 45 1HD1 ILE 45 -8.144 -10.012 -6.743 276 HD13 ILE 45 2HD1 ILE 45 -7.165 -8.614 -7.268 277 H GLN 46 H GLN 46 -9.396 -9.967 -3.106 278 HA GLN 46 HA GLN 46 -9.000 -11.848 -1.110 279 HB3 GLN 46 2HB GLN 46 -10.323 -13.231 -3.199 280 HG3 GLN 46 2HG GLN 46 -12.411 -12.167 -2.085 281 HE21 GLN 46 1HE2 GLN 46 -12.088 -12.513 0.908 282 HE22 GLN 46 2HE2 GLN 46 -11.660 -14.218 1.099 283 H SER 47 H SER 47 -7.324 -13.133 -0.704 284 HA SER 47 HA SER 47 -6.159 -14.881 -2.666 285 HB3 SER 47 2HB SER 47 -4.982 -13.026 -3.528 286 HG SER 47 HG SER 47 -5.235 -11.478 -1.958 287 H SER 48 H SER 48 -6.165 -16.654 -1.378 288 HA SER 48 HA SER 48 -5.226 -16.536 1.401 289 HB3 SER 48 2HB SER 48 -6.012 -18.760 1.535 290 HG SER 48 HG SER 48 -7.917 -18.728 -0.027 291 H GLN 49 H GLN 49 -3.413 -16.260 -1.255 292 HA GLN 49 HA GLN 49 -1.529 -18.504 -0.744 293 HB3 GLN 49 2HB GLN 49 -2.955 -19.100 -2.632 294 HG3 GLN 49 2HG GLN 49 -2.057 -16.449 -3.859 295 HE21 GLN 49 1HE2 GLN 49 -4.705 -18.604 -4.953 296 HE22 GLN 49 2HE2 GLN 49 -3.888 -19.025 -6.451 297 H ALA 50 H ALA 50 0.537 -18.135 -1.827 298 HA ALA 50 HA ALA 50 2.475 -17.062 -2.116 299 HB1 ALA 50 1HB ALA 50 0.848 -14.879 -3.404 300 HB2 ALA 50 2HB ALA 50 2.533 -15.319 -3.738 301 HB3 ALA 50 3HB ALA 50 1.215 -16.423 -4.189 302 H SER 51 H SER 51 3.225 -16.675 -0.075 303 HA SER 51 HA SER 51 3.421 -13.910 0.668 304 HB3 SER 51 2HB SER 51 2.580 -16.017 2.717 305 HG SER 51 HG SER 51 3.799 -14.415 3.674 306 H GLY 52 H GLY 52 5.599 -13.709 0.952 307 HA2 GLY 52 1HA GLY 52 7.056 -15.677 2.472 308 HA3 GLY 52 2HA GLY 52 7.631 -15.522 0.804 309 H GLU 53 H GLU 53 9.407 -14.249 0.859 310 HA GLU 53 HA GLU 53 9.368 -11.733 2.408 311 HB3 GLU 53 2HB GLU 53 10.724 -13.271 3.665 312 HG3 GLU 53 2HG GLU 53 12.538 -13.592 1.244 313 HA PRO 54 HA PRO 54 10.574 -9.988 -1.480 314 HB3 PRO 54 2HB PRO 54 10.259 -7.929 -0.457 315 HG3 PRO 54 2HG PRO 54 11.051 -7.476 1.749 316 HD3 PRO 54 2HD PRO 54 9.645 -9.370 1.881 317 H LYS 55 H LYS 55 12.707 -9.080 -2.589 318 HA LYS 55 HA LYS 55 14.893 -9.235 -3.223 319 HB3 LYS 55 2HB LYS 55 15.609 -10.664 -0.675 320 HG3 LYS 55 2HG LYS 55 17.098 -8.214 -1.441 321 HD3 LYS 55 2HD LYS 55 19.040 -9.616 -0.863 322 HE3 LYS 55 2HE LYS 55 16.736 -10.110 1.071 323 HZ1 LYS 55 3HZ LYS 55 18.729 -11.575 1.354 324 HZ2 LYS 55 1HZ LYS 55 18.279 -10.695 2.659 325 HZ3 LYS 55 2HZ LYS 55 19.585 -10.233 1.805 326 H SER 56 H SER 56 12.908 -11.782 -3.024 327 HA SER 56 HA SER 56 12.882 -14.003 -3.340 328 HB3 SER 56 2HB SER 56 14.058 -14.792 -5.370 329 HG SER 56 HG SER 56 13.191 -13.188 -6.786 330 H SER 57 H SER 57 14.328 -13.419 -1.047 331 HA SER 57 HA SER 57 16.803 -14.892 -0.967 332 HB3 SER 57 2HB SER 57 16.403 -14.821 1.504 333 HG SER 57 HG SER 57 17.413 -13.110 0.589 334 H THR 58 H THR 58 13.360 -15.833 -0.077 335 HA THR 58 HA THR 58 14.195 -18.653 -0.479 336 HB THR 58 HB THR 58 12.662 -19.246 1.347 337 HG1 THR 58 1HG THR 58 12.523 -16.779 2.480 338 HG21 THR 58 3HG2 THR 58 14.689 -17.178 2.303 339 HG22 THR 58 1HG2 THR 58 15.084 -18.852 1.855 340 HG23 THR 58 2HG2 THR 58 14.002 -18.531 3.221 341 HA PRO 59 HA PRO 59 11.093 -18.764 -3.468 342 HB3 PRO 59 2HB PRO 59 11.912 -20.845 -3.943 343 HG3 PRO 59 2HG PRO 59 12.322 -22.466 -2.230 344 HD3 PRO 59 2HD PRO 59 13.527 -20.555 -1.580 345 H ALA 60 H ALA 60 9.556 -17.266 -2.506 346 HA ALA 60 HA ALA 60 7.049 -18.141 -3.055 347 HB1 ALA 60 1HB ALA 60 7.244 -17.568 -0.082 348 HB2 ALA 60 2HB ALA 60 5.766 -17.667 -1.045 349 HB3 ALA 60 3HB ALA 60 6.760 -19.120 -0.822 350 H GLN 61 H GLN 61 6.474 -16.408 -4.087 351 HA GLN 61 HA GLN 61 7.278 -13.690 -3.222 352 HB3 GLN 61 2HB GLN 61 6.808 -12.957 -5.326 353 HG3 GLN 61 2HG GLN 61 8.359 -15.160 -5.300 354 HE21 GLN 61 1HE2 GLN 61 7.427 -15.416 -8.508 355 HE22 GLN 61 2HE2 GLN 61 6.648 -16.982 -8.418 356 H LEU 62 H LEU 62 5.119 -12.312 -4.095 357 HA LEU 62 HA LEU 62 3.161 -12.894 -1.906 358 HB3 LEU 62 2HB LEU 62 2.949 -10.619 -1.477 359 HG LEU 62 HG LEU 62 5.872 -10.894 -2.351 360 HD11 LEU 62 1HD1 LEU 62 6.372 -9.141 -0.737 361 HD12 LEU 62 2HD1 LEU 62 4.628 -8.845 -0.508 362 HD13 LEU 62 3HD1 LEU 62 5.411 -8.568 -2.092 363 HD21 LEU 62 3HD2 LEU 62 6.333 -11.397 0.015 364 HD22 LEU 62 1HD2 LEU 62 5.250 -12.596 -0.677 365 HD23 LEU 62 2HD2 LEU 62 4.587 -11.333 0.381 366 H ALA 63 H ALA 63 0.898 -11.807 -2.336 367 HA ALA 63 HA ALA 63 0.358 -11.655 -5.215 368 HB1 ALA 63 1HB ALA 63 -0.564 -13.812 -4.621 369 HB2 ALA 63 2HB ALA 63 -1.287 -13.159 -3.125 370 HB3 ALA 63 3HB ALA 63 -1.934 -12.714 -4.715 371 H PHE 64 H PHE 64 -0.586 -9.861 -5.901 372 HA PHE 64 HA PHE 64 -2.269 -8.221 -4.184 373 HB3 PHE 64 2HB PHE 64 -0.874 -6.229 -4.511 374 HD1 PHE 64 2HD PHE 64 -1.329 -7.490 -1.981 375 HD2 PHE 64 1HD PHE 64 2.316 -7.315 -4.289 376 HE1 PHE 64 2HE PHE 64 -0.013 -7.802 0.066 377 HE2 PHE 64 1HE PHE 64 3.609 -7.529 -2.247 378 HZ PHE 64 HZ PHE 64 2.480 -7.874 -0.042 379 H MET 65 H MET 65 -3.094 -6.345 -5.525 380 HA MET 65 HA MET 65 -3.303 -7.004 -8.422 381 HB3 MET 65 2HB MET 65 -5.099 -5.318 -6.633 382 HG3 MET 65 2HG MET 65 -5.396 -6.299 -9.488 383 HE1 MET 65 3HE MET 65 -7.387 -4.303 -6.648 384 HE2 MET 65 1HE MET 65 -7.619 -3.410 -8.172 385 HE3 MET 65 2HE MET 65 -8.990 -4.238 -7.410 386 H ARG 66 H ARG 66 -1.225 -5.166 -6.850 387 HA ARG 66 HA ARG 66 -0.127 -3.126 -7.163 388 HB3 ARG 66 2HB ARG 66 0.837 -4.809 -8.669 389 HG3 ARG 66 2HG ARG 66 -0.885 -3.478 -10.827 390 HD3 ARG 66 2HD ARG 66 1.883 -3.974 -11.023 391 HE ARG 66 HE ARG 66 1.081 -6.393 -11.314 392 HH11 ARG 66 1HH1 ARG 66 1.053 -4.143 -14.100 393 HH12 ARG 66 2HH1 ARG 66 1.374 -5.380 -15.259 394 HH21 ARG 66 1HH2 ARG 66 1.851 -7.910 -12.818 395 HH22 ARG 66 2HH2 ARG 66 1.632 -7.643 -14.528 396 H VAL 67 H VAL 67 -2.673 -2.223 -6.864 397 HA VAL 67 HA VAL 67 -3.909 -0.966 -8.986 398 HB VAL 67 HB VAL 67 -5.051 0.399 -7.224 399 HG11 VAL 67 1HG1 VAL 67 -6.143 -1.446 -6.163 400 HG12 VAL 67 2HG1 VAL 67 -5.764 -1.899 -7.825 401 HG13 VAL 67 3HG1 VAL 67 -4.777 -2.546 -6.495 402 HG21 VAL 67 3HG2 VAL 67 -4.503 0.132 -4.895 403 HG22 VAL 67 1HG2 VAL 67 -3.185 -1.012 -5.251 404 HG23 VAL 67 2HG2 VAL 67 -3.046 0.686 -5.731 405 H TYR 68 H TYR 68 -0.915 0.053 -7.823 406 HA TYR 68 HA TYR 68 -0.994 2.875 -8.294 407 HB3 TYR 68 2HB TYR 68 1.167 0.774 -8.431 408 HD1 TYR 68 1HD TYR 68 1.276 4.405 -7.560 409 HD2 TYR 68 2HD TYR 68 2.525 1.381 -10.384 410 HE1 TYR 68 1HE TYR 68 2.654 6.047 -8.716 411 HE2 TYR 68 2HE TYR 68 3.860 3.069 -11.607 412 HH TYR 68 HH TYR 68 3.422 5.818 -11.792 413 H CYS 69 H CYS 69 -2.266 3.287 -10.013 414 HA CYS 69 HA CYS 69 -0.669 3.435 -12.451 415 HB3 CYS 69 2HB CYS 69 -3.615 2.595 -12.495 416 HG CYS 69 HG CYS 69 -3.183 4.143 -14.476 417 H GLY 70 H GLY 70 -1.318 5.160 -10.213 418 HA2 GLY 70 1HA GLY 70 -3.557 6.872 -10.937 419 HA3 GLY 70 2HA GLY 70 -2.375 7.221 -9.666 420 HA PRO 71 HA PRO 71 -1.226 9.798 -13.455 421 HB3 PRO 71 2HB PRO 71 -3.420 10.429 -14.018 422 HG3 PRO 71 2HG PRO 71 -5.064 10.910 -12.314 423 HD3 PRO 71 2HD PRO 71 -4.471 8.692 -11.991 424 H SER 72 H SER 72 -1.590 10.110 -10.093 425 HA SER 72 HA SER 72 0.118 12.513 -9.845 426 HB3 SER 72 2HB SER 72 -1.989 13.260 -9.270 427 HG SER 72 HG SER 72 -2.913 11.136 -7.707 428 HA PRO 73 HA PRO 73 2.696 10.111 -7.140 429 HB3 PRO 73 2HB PRO 73 4.076 11.924 -7.035 430 HG3 PRO 73 2HG PRO 73 3.211 14.151 -6.791 431 HD3 PRO 73 2HD PRO 73 2.192 13.186 -8.694 432 H SER 74 H SER 74 -0.289 11.291 -6.045 433 HA SER 74 HA SER 74 -0.219 9.749 -3.519 434 HB3 SER 74 2HB SER 74 -0.391 12.018 -2.982 435 HG SER 74 HG SER 74 -1.742 13.442 -4.064 436 H CYS 75 H CYS 75 -0.724 8.898 -6.359 437 HA CYS 75 HA CYS 75 -2.037 7.814 -7.673 438 HB3 CYS 75 2HB CYS 75 -3.603 6.391 -5.616 439 HG CYS 75 HG CYS 75 -0.991 5.744 -7.541 440 H LEU 76 H LEU 76 -4.459 6.742 -7.780 441 HA LEU 76 HA LEU 76 -6.595 8.488 -7.022 442 HB3 LEU 76 2HB LEU 76 -6.267 7.934 -10.006 443 HG LEU 76 HG LEU 76 -7.993 10.053 -8.680 444 HD11 LEU 76 1HD1 LEU 76 -8.112 8.768 -11.430 445 HD12 LEU 76 2HD1 LEU 76 -7.294 10.295 -11.061 446 HD13 LEU 76 3HD1 LEU 76 -9.054 10.159 -10.855 447 HD21 LEU 76 3HD2 LEU 76 -8.967 7.293 -9.500 448 HD22 LEU 76 1HD2 LEU 76 -10.012 8.696 -9.193 449 HD23 LEU 76 2HD2 LEU 76 -9.059 8.034 -7.873 450 H VAL 77 H VAL 77 -7.410 6.681 -5.922 451 HA VAL 77 HA VAL 77 -7.956 4.229 -7.549 452 HB VAL 77 HB VAL 77 -7.256 4.356 -4.591 453 HG11 VAL 77 1HG1 VAL 77 -7.769 2.030 -6.491 454 HG12 VAL 77 2HG1 VAL 77 -7.229 1.892 -4.799 455 HG13 VAL 77 3HG1 VAL 77 -8.835 2.552 -5.166 456 HG21 VAL 77 3HG2 VAL 77 -5.648 3.494 -7.039 457 HG22 VAL 77 1HG2 VAL 77 -5.219 4.716 -5.817 458 HG23 VAL 77 2HG2 VAL 77 -5.235 3.001 -5.385 459 H GLN 78 H GLN 78 -10.024 4.195 -8.037 460 HA GLN 78 HA GLN 78 -11.956 5.746 -6.535 461 HB3 GLN 78 2HB GLN 78 -13.557 5.046 -8.260 462 HG3 GLN 78 2HG GLN 78 -10.948 5.885 -9.535 463 HE21 GLN 78 1HE2 GLN 78 -13.205 8.418 -9.688 464 HE22 GLN 78 2HE2 GLN 78 -13.840 8.014 -11.268 465 H SER 79 H SER 79 -14.124 4.788 -5.920 466 HA SER 79 HA SER 79 -13.819 2.880 -3.949 467 HB3 SER 79 2HB SER 79 -15.857 3.472 -3.409 468 HG SER 79 HG SER 79 -16.282 5.397 -4.026 469 H SER 80 H SER 80 -15.029 2.324 -7.326 470 HA SER 80 HA SER 80 -15.634 -0.400 -6.804 471 HB3 SER 80 2HB SER 80 -14.753 0.653 -9.507 472 HG SER 80 HG SER 80 -15.265 -1.667 -8.788 473 H SER 81 H SER 81 -12.444 1.080 -7.162 474 HA SER 81 HA SER 81 -11.095 -1.417 -7.847 475 HB3 SER 81 2HB SER 81 -9.090 -0.172 -7.469 476 HG SER 81 HG SER 81 -10.966 0.903 -9.017 477 H LEU 82 H LEU 82 -12.156 0.346 -4.965 478 HA LEU 82 HA LEU 82 -10.529 -1.140 -3.040 479 HB3 LEU 82 2HB LEU 82 -12.056 0.102 -1.395 480 HG LEU 82 HG LEU 82 -10.365 1.556 -3.459 481 HD11 LEU 82 1HD1 LEU 82 -10.505 3.597 -2.116 482 HD12 LEU 82 2HD1 LEU 82 -11.791 2.855 -1.115 483 HD13 LEU 82 3HD1 LEU 82 -12.051 3.187 -2.843 484 HD21 LEU 82 3HD2 LEU 82 -10.027 1.123 -0.466 485 HD22 LEU 82 1HD2 LEU 82 -8.868 1.907 -1.559 486 HD23 LEU 82 2HD2 LEU 82 -9.221 0.171 -1.732 487 H SER 83 H SER 83 -13.831 -1.348 -4.358 488 HA SER 83 HA SER 83 -15.110 -3.015 -2.687 489 HB3 SER 83 2HB SER 83 -16.227 -3.914 -4.743 490 HG SER 83 HG SER 83 -16.996 -1.967 -5.359 491 H ASN 84 H ASN 84 -12.562 -4.121 -4.962 492 HA ASN 84 HA ASN 84 -13.157 -6.936 -4.379 493 HB3 ASN 84 2HB ASN 84 -11.500 -7.471 -6.019 494 HD21 ASN 84 1HD2 ASN 84 -11.222 -5.300 -8.163 495 HD22 ASN 84 2HD2 ASN 84 -12.804 -5.169 -8.876 496 H ALA 85 H ALA 85 -11.555 -4.784 -2.464 497 HA ALA 85 HA ALA 85 -9.007 -6.079 -2.045 498 HB1 ALA 85 1HB ALA 85 -8.939 -4.615 -0.064 499 HB2 ALA 85 2HB ALA 85 -9.390 -3.694 -1.521 500 HB3 ALA 85 3HB ALA 85 -10.634 -4.161 -0.335 501 H HIS 86 H HIS 86 -8.410 -7.372 -0.469 502 HA HIS 86 HA HIS 86 -10.307 -9.061 1.035 503 HB3 HIS 86 2HB HIS 86 -7.285 -8.708 0.870 504 HD1 HIS 86 1HD HIS 86 -9.430 -11.596 2.422 505 HD2 HIS 86 2HD HIS 86 -6.222 -8.981 3.278 506 HE1 HIS 86 1HE HIS 86 -8.587 -12.239 4.679 507 H ILE 87 H ILE 87 -10.807 -8.705 3.183 508 HA ILE 87 HA ILE 87 -9.789 -6.219 4.455 509 HB ILE 87 HB ILE 87 -12.225 -7.908 5.159 510 HG13 ILE 87 2HG1 ILE 87 -13.647 -6.136 4.276 511 HG21 ILE 87 1HG2 ILE 87 -11.244 -5.216 6.168 512 HG22 ILE 87 2HG2 ILE 87 -12.833 -5.896 6.546 513 HG23 ILE 87 3HG2 ILE 87 -11.382 -6.738 7.076 514 HD11 ILE 87 3HD1 ILE 87 -11.136 -4.964 3.014 515 HD12 ILE 87 1HD1 ILE 87 -12.807 -4.477 2.683 516 HD13 ILE 87 2HD1 ILE 87 -12.108 -4.187 4.288 517 H ASP 88 H ASP 88 -8.341 -6.443 5.985 518 HA ASP 88 HA ASP 88 -7.396 -9.029 6.759 519 HB3 ASP 88 2HB ASP 88 -6.974 -6.322 8.103 520 H TYR 89 H TYR 89 -7.720 -10.159 8.722 521 HA TYR 89 HA TYR 89 -9.794 -9.145 10.567 522 HB3 TYR 89 2HB TYR 89 -10.182 -11.978 10.230 523 HD1 TYR 89 1HD TYR 89 -11.699 -9.234 8.204 524 HD2 TYR 89 2HD TYR 89 -11.946 -11.570 11.809 525 HE1 TYR 89 1HE TYR 89 -13.982 -8.322 8.618 526 HE2 TYR 89 2HE TYR 89 -14.218 -10.680 12.243 527 HH TYR 89 HH TYR 89 -15.856 -8.290 10.152 528 H THR 90 H THR 90 -6.730 -9.476 10.561 529 HA THR 90 HA THR 90 -6.591 -11.334 12.873 530 HB THR 90 HB THR 90 -5.359 -11.760 10.655 531 HG1 THR 90 1HG THR 90 -3.800 -12.824 11.821 532 HG21 THR 90 3HG2 THR 90 -3.167 -10.869 10.386 533 HG22 THR 90 1HG2 THR 90 -3.217 -10.067 11.967 534 HG23 THR 90 2HG2 THR 90 -4.204 -9.455 10.652 535 H THR 91 H THR 91 -6.367 -8.124 11.875 536 HA THR 91 HA THR 91 -5.395 -7.262 14.581 537 HB THR 91 HB THR 91 -4.455 -5.242 13.403 538 HG1 THR 91 1HG THR 91 -5.112 -6.811 11.116 539 HG21 THR 91 3HG2 THR 91 -3.043 -7.113 14.226 540 HG22 THR 91 1HG2 THR 91 -2.382 -6.303 12.797 541 HG23 THR 91 2HG2 THR 91 -3.168 -7.880 12.626 542 H LYS 92 H LYS 92 -7.110 -5.775 11.754 543 HA LYS 92 HA LYS 92 -9.511 -5.441 13.247 544 HB3 LYS 92 2HB LYS 92 -9.586 -2.938 12.392 545 HG3 LYS 92 2HG LYS 92 -7.766 -3.096 14.756 546 HD3 LYS 92 2HD LYS 92 -9.015 -0.987 14.241 547 HE3 LYS 92 2HE LYS 92 -11.380 -2.875 14.551 548 HZ1 LYS 92 3HZ LYS 92 -11.674 -0.910 16.006 549 HZ2 LYS 92 1HZ LYS 92 -12.822 -1.094 14.843 550 HZ3 LYS 92 2HZ LYS 92 -11.692 0.055 14.675 551 HA PRO 93 HA PRO 93 -10.968 -5.837 9.029 552 HB3 PRO 93 2HB PRO 93 -13.108 -6.076 9.775 553 HG3 PRO 93 2HG PRO 93 -13.882 -4.885 11.685 554 HD3 PRO 93 2HD PRO 93 -11.875 -5.936 12.366 555 H ALA 94 H ALA 94 -9.403 -4.777 7.894 556 HA ALA 94 HA ALA 94 -10.061 -2.058 6.927 557 HB1 ALA 94 1HB ALA 94 -8.343 -1.792 8.779 558 HB2 ALA 94 2HB ALA 94 -7.332 -3.016 8.000 559 HB3 ALA 94 3HB ALA 94 -7.622 -1.483 7.197 560 H ILE 95 H ILE 95 -9.032 -1.601 4.923 561 HA ILE 95 HA ILE 95 -8.151 -3.906 3.285 562 HB ILE 95 HB ILE 95 -8.455 -0.903 2.744 563 HG13 ILE 95 2HG1 ILE 95 -10.543 -2.251 2.947 564 HG21 ILE 95 1HG2 ILE 95 -6.552 -1.749 1.437 565 HG22 ILE 95 2HG2 ILE 95 -7.507 -3.145 0.926 566 HG23 ILE 95 3HG2 ILE 95 -7.920 -1.509 0.359 567 HD11 ILE 95 3HD1 ILE 95 -10.581 -0.417 1.278 568 HD12 ILE 95 1HD1 ILE 95 -10.101 -1.582 0.017 569 HD13 ILE 95 2HD1 ILE 95 -11.638 -1.775 0.859 570 H ILE 96 H ILE 96 -5.928 -4.210 2.815 571 HA ILE 96 HA ILE 96 -4.020 -2.706 4.530 572 HB ILE 96 HB ILE 96 -3.847 -5.546 3.455 573 HG13 ILE 96 2HG1 ILE 96 -4.052 -6.290 5.784 574 HG21 ILE 96 1HG2 ILE 96 -1.621 -4.599 3.666 575 HG22 ILE 96 2HG2 ILE 96 -1.976 -3.975 5.284 576 HG23 ILE 96 3HG2 ILE 96 -1.886 -5.730 4.997 577 HD11 ILE 96 3HD1 ILE 96 -3.464 -4.192 7.028 578 HD12 ILE 96 1HD1 ILE 96 -4.990 -3.469 6.462 579 HD13 ILE 96 2HD1 ILE 96 -5.015 -4.878 7.526 580 H PHE 97 H PHE 97 -2.772 -1.396 3.447 581 HA PHE 97 HA PHE 97 -2.312 -1.801 0.519 582 HB3 PHE 97 2HB PHE 97 -1.586 0.693 0.712 583 HD1 PHE 97 1HD PHE 97 -2.753 -0.025 -1.428 584 HD2 PHE 97 2HD PHE 97 -4.908 0.813 2.217 585 HE1 PHE 97 1HE PHE 97 -4.864 0.200 -2.720 586 HE2 PHE 97 2HE PHE 97 -7.007 1.054 0.911 587 HZ PHE 97 HZ PHE 97 -6.973 0.697 -1.561 588 H ARG 98 H ARG 98 -0.238 -1.693 -0.239 589 HA ARG 98 HA ARG 98 1.979 -1.882 1.749 590 HB3 ARG 98 2HB ARG 98 2.845 -3.688 0.092 591 HG3 ARG 98 2HG ARG 98 1.442 -5.394 1.221 592 HD3 ARG 98 2HD ARG 98 1.699 -4.600 3.682 593 HE ARG 98 HE ARG 98 4.206 -4.903 2.079 594 HH11 ARG 98 1HH1 ARG 98 2.109 -6.203 4.648 595 HH12 ARG 98 2HH1 ARG 98 3.390 -7.010 5.477 596 HH21 ARG 98 1HH2 ARG 98 5.783 -6.469 2.928 597 HH22 ARG 98 2HH2 ARG 98 5.463 -7.136 4.485 598 H ILE 99 H ILE 99 2.829 0.170 1.300 599 HA ILE 99 HA ILE 99 3.171 0.944 -1.573 600 HB ILE 99 HB ILE 99 3.036 2.690 0.914 601 HG13 ILE 99 2HG1 ILE 99 0.792 1.491 0.331 602 HG21 ILE 99 1HG2 ILE 99 4.198 3.538 -1.293 603 HG22 ILE 99 2HG2 ILE 99 2.571 3.614 -1.950 604 HG23 ILE 99 3HG2 ILE 99 2.990 4.581 -0.534 605 HD11 ILE 99 3HD1 ILE 99 0.824 4.508 0.242 606 HD12 ILE 99 1HD1 ILE 99 -0.564 3.476 0.620 607 HD13 ILE 99 2HD1 ILE 99 0.841 3.511 1.710 608 H ALA 100 H ALA 100 5.354 1.396 -2.221 609 HA ALA 100 HA ALA 100 7.364 1.700 -0.148 610 HB1 ALA 100 1HB ALA 100 8.932 -0.002 -1.258 611 HB2 ALA 100 2HB ALA 100 7.516 -0.771 -0.533 612 HB3 ALA 100 3HB ALA 100 7.596 -0.523 -2.281 613 H ALA 101 H ALA 101 9.249 2.594 -0.899 614 HA ALA 101 HA ALA 101 9.091 4.435 -3.126 615 HB1 ALA 101 1HB ALA 101 10.302 4.769 -0.861 616 HB2 ALA 101 2HB ALA 101 11.533 3.653 -1.469 617 HB3 ALA 101 3HB ALA 101 11.188 5.172 -2.329 618 H ARG 102 H ARG 102 9.436 3.764 -5.231 619 HA ARG 102 HA ARG 102 10.842 1.217 -5.732 620 HB3 ARG 102 2HB ARG 102 9.839 3.085 -7.863 621 HG3 ARG 102 2HG ARG 102 9.013 0.930 -8.832 622 HD3 ARG 102 2HD ARG 102 12.021 0.709 -8.606 623 HE ARG 102 HE ARG 102 10.915 0.854 -11.224 624 HH11 ARG 102 1HH1 ARG 102 11.052 -1.468 -8.556 625 HH12 ARG 102 2HH1 ARG 102 11.054 -2.854 -9.579 626 HH21 ARG 102 1HH2 ARG 102 10.686 -0.966 -12.594 627 HH22 ARG 102 2HH2 ARG 102 10.767 -2.547 -11.966 628 H ASN 103 H ASN 103 12.777 1.849 -4.765 629 HA ASN 103 HA ASN 103 14.430 3.865 -6.205 630 HB3 ASN 103 2HB ASN 103 14.323 4.416 -3.844 631 HD21 ASN 103 1HD2 ASN 103 15.647 3.680 -1.590 632 HD22 ASN 103 2HD2 ASN 103 15.079 2.102 -1.068 633 H GLU 104 H GLU 104 16.657 3.228 -6.426 634 HA GLU 104 HA GLU 104 16.948 0.488 -7.387 635 HB3 GLU 104 2HB GLU 104 19.217 1.104 -7.879 636 HG3 GLU 104 2HG GLU 104 17.565 3.586 -8.480 637 H LYS 105 H LYS 105 17.810 2.326 -4.534 638 HA LYS 105 HA LYS 105 19.598 0.511 -3.278 639 HB3 LYS 105 2HB LYS 105 18.461 2.066 -1.227 640 HG3 LYS 105 2HG LYS 105 20.339 3.700 -2.362 641 HD3 LYS 105 2HD LYS 105 20.433 2.611 -0.071 642 HE3 LYS 105 2HE LYS 105 21.575 0.374 -1.772 643 HZ1 LYS 105 3HZ LYS 105 23.082 0.932 0.061 644 HZ2 LYS 105 1HZ LYS 105 22.483 -0.574 0.084 645 HZ3 LYS 105 2HZ LYS 105 21.875 0.512 1.157 646 H GLY 106 H GLY 106 16.133 0.223 -3.364 647 HA2 GLY 106 1HA GLY 106 16.253 -1.704 -1.080 648 HA3 GLY 106 2HA GLY 106 15.384 -0.194 -0.916 649 H TYR 107 H TYR 107 13.476 0.030 -1.906 650 HA TYR 107 HA TYR 107 11.367 -0.540 -2.290 651 HB3 TYR 107 2HB TYR 107 12.438 -2.476 -4.312 652 HD1 TYR 107 2HD TYR 107 9.748 -0.098 -3.450 653 HD2 TYR 107 1HD TYR 107 11.195 -3.033 -6.231 654 HE1 TYR 107 2HE TYR 107 7.618 0.088 -4.740 655 HE2 TYR 107 1HE TYR 107 9.033 -2.966 -7.450 656 HH TYR 107 HH TYR 107 7.192 -1.481 -7.836 657 H GLY 108 H GLY 108 12.799 -2.010 -0.397 658 HA2 GLY 108 1HA GLY 108 12.248 -4.907 -0.618 659 HA3 GLY 108 2HA GLY 108 13.266 -4.114 0.600 660 HA PRO 109 HA PRO 109 9.687 -4.022 3.366 661 HB3 PRO 109 2HB PRO 109 10.900 -3.061 5.016 662 HG3 PRO 109 2HG PRO 109 12.716 -1.800 4.588 663 HD3 PRO 109 2HD PRO 109 13.113 -3.497 3.094 664 H ALA 110 H ALA 110 7.630 -3.262 3.245 665 HA ALA 110 HA ALA 110 6.976 -0.885 1.625 666 HB1 ALA 110 1HB ALA 110 6.651 -2.851 0.114 667 HB2 ALA 110 2HB ALA 110 5.635 -3.625 1.341 668 HB3 ALA 110 3HB ALA 110 5.100 -2.114 0.570 669 H THR 111 H THR 111 5.861 0.405 3.014 670 HA THR 111 HA THR 111 5.336 -0.294 5.642 671 HB THR 111 HB THR 111 3.886 1.893 4.092 672 HG1 THR 111 1HG THR 111 5.849 3.101 4.788 673 HG21 THR 111 3HG2 THR 111 4.974 1.761 6.941 674 HG22 THR 111 1HG2 THR 111 3.258 1.598 6.500 675 HG23 THR 111 2HG2 THR 111 4.113 3.129 6.224 676 H GLN 112 H GLN 112 3.762 -1.456 6.571 677 HA GLN 112 HA GLN 112 1.538 -2.499 4.928 678 HB3 GLN 112 2HB GLN 112 2.424 -3.193 7.770 679 HG3 GLN 112 2HG GLN 112 0.535 -4.528 5.788 680 HE21 GLN 112 1HE2 GLN 112 -0.496 -6.504 6.595 681 HE22 GLN 112 2HE2 GLN 112 0.359 -7.558 7.684 682 H VAL 113 H VAL 113 0.298 -0.729 4.653 683 HA VAL 113 HA VAL 113 -0.584 0.876 7.002 684 HB VAL 113 HB VAL 113 -0.954 1.211 3.969 685 HG11 VAL 113 1HG1 VAL 113 -2.766 2.357 5.192 686 HG12 VAL 113 2HG1 VAL 113 -1.564 3.208 6.195 687 HG13 VAL 113 3HG1 VAL 113 -1.681 3.501 4.452 688 HG21 VAL 113 3HG2 VAL 113 0.659 3.076 4.150 689 HG22 VAL 113 1HG2 VAL 113 0.932 2.669 5.863 690 HG23 VAL 113 2HG2 VAL 113 1.402 1.550 4.563 691 H ARG 114 H ARG 114 -2.904 1.181 7.204 692 HA ARG 114 HA ARG 114 -4.564 -0.876 5.956 693 HB3 ARG 114 2HB ARG 114 -3.864 -1.900 8.085 694 HG3 ARG 114 2HG ARG 114 -5.046 -0.779 10.172 695 HD3 ARG 114 2HD ARG 114 -2.354 -0.189 9.024 696 HE ARG 114 HE ARG 114 -2.698 1.848 10.106 697 HH11 ARG 114 1HH1 ARG 114 -2.684 -0.861 12.390 698 HH12 ARG 114 2HH1 ARG 114 -2.817 0.104 13.803 699 HH21 ARG 114 1HH2 ARG 114 -3.092 3.147 11.890 700 HH22 ARG 114 2HH2 ARG 114 -2.895 2.532 13.512 701 H TRP 115 H TRP 115 -6.897 -0.248 6.166 702 HA TRP 115 HA TRP 115 -7.307 2.613 6.869 703 HB3 TRP 115 2HB TRP 115 -8.334 1.162 4.393 704 HD1 TRP 115 HD TRP 115 -8.105 4.673 6.061 705 HE1 TRP 115 1HE TRP 115 -9.882 6.185 5.001 706 HE3 TRP 115 3HE TRP 115 -9.993 1.414 2.574 707 HZ2 TRP 115 2HZ TRP 115 -11.780 6.019 2.890 708 HZ3 TRP 115 3HZ TRP 115 -11.869 2.111 1.129 709 HH2 TRP 115 HH TRP 115 -12.818 4.402 1.320 710 H LEU 116 H LEU 116 -8.676 2.718 8.475 711 HA LEU 116 HA LEU 116 -10.464 0.573 9.067 712 HB3 LEU 116 2HB LEU 116 -10.653 1.766 11.087 713 HG LEU 116 HG LEU 116 -8.307 1.879 11.833 714 HD11 LEU 116 1HD1 LEU 116 -7.850 -0.613 11.634 715 HD12 LEU 116 2HD1 LEU 116 -9.147 -0.711 10.435 716 HD13 LEU 116 3HD1 LEU 116 -9.536 -0.227 12.086 717 HD21 LEU 116 3HD2 LEU 116 -7.124 2.450 9.779 718 HD22 LEU 116 1HD2 LEU 116 -7.305 0.732 9.288 719 HD23 LEU 116 2HD2 LEU 116 -6.437 1.165 10.769 720 H GLN 117 H GLN 117 -11.159 2.540 6.830 721 HA GLN 117 HA GLN 117 -13.667 3.676 7.878 722 HB3 GLN 117 2HB GLN 117 -12.605 4.457 5.183 723 HG3 GLN 117 2HG GLN 117 -13.855 5.709 7.570 724 HE21 GLN 117 1HE2 GLN 117 -13.939 7.979 7.931 725 HE22 GLN 117 2HE2 GLN 117 -12.689 9.054 7.385 726 H GLU 118 H GLU 118 -12.874 0.780 6.700 727 HA GLU 118 HA GLU 118 -14.555 0.820 4.330 728 HB3 GLU 118 2HB GLU 118 -14.541 -1.819 4.836 729 HG3 GLU 118 2HG GLU 118 -12.687 -2.055 3.368 730 H THR 119 H THR 119 -16.500 0.930 4.245 731 HA THR 119 HA THR 119 -18.609 -0.419 5.309 732 HB THR 119 HB THR 119 -19.418 2.019 6.426 733 HG1 THR 119 1HG THR 119 -16.856 1.354 7.385 734 HG21 THR 119 3HG2 THR 119 -18.348 -0.404 7.937 735 HG22 THR 119 1HG2 THR 119 -19.988 -0.219 7.288 736 HG23 THR 119 2HG2 THR 119 -19.424 0.857 8.577 737 H SER 120 H SER 120 -20.610 0.660 4.230 738 HA SER 120 HA SER 120 -19.895 2.214 1.852 739 HB3 SER 120 2HB SER 120 -22.245 2.092 1.364 740 HG SER 120 HG SER 120 -21.307 0.166 0.931 741 H LYS 121 H LYS 121 -21.292 4.335 1.567 742 HA LYS 121 HA LYS 121 -22.344 5.518 3.902 743 HB3 LYS 121 2HB LYS 121 -20.240 7.211 2.473 744 HG3 LYS 121 2HG LYS 121 -21.619 7.618 5.172 745 HD3 LYS 121 2HD LYS 121 -20.059 9.535 3.393 746 HE3 LYS 121 2HE LYS 121 -21.869 10.551 4.886 747 HZ1 LYS 121 3HZ LYS 121 -21.587 9.285 6.889 748 HZ2 LYS 121 1HZ LYS 121 -21.095 10.800 7.235 749 HZ3 LYS 121 2HZ LYS 121 -20.001 9.575 6.975 750 H ASP 122 H ASP 122 -24.042 6.880 3.194 751 HA ASP 122 HA ASP 122 -24.821 6.634 0.442 752 HB3 ASP 122 2HB ASP 122 -26.797 7.772 1.085 753 H SER 123 H SER 123 -25.569 8.779 -0.721 754 HA SER 123 HA SER 123 -23.294 10.533 -1.083 755 HB3 SER 123 2HB SER 123 -24.230 10.511 -3.087 756 HG SER 123 HG SER 123 -26.282 9.795 -3.567 757 H SER 124 H SER 124 -23.595 12.939 -0.971 758 HA SER 124 HA SER 124 -25.782 13.977 0.575 759 HB3 SER 124 2HB SER 124 -24.815 14.748 2.498 760 HG SER 124 HG SER 124 -24.588 12.356 2.306 761 H GLY 125 H GLY 125 -22.347 14.890 -0.320 762 HA2 GLY 125 1HA GLY 125 -22.885 16.438 -2.546 763 HA3 GLY 125 2HA GLY 125 -23.205 17.507 -1.162 764 H THR 126 H THR 126 -21.412 18.646 -2.371 765 HA THR 126 HA THR 126 -18.907 18.244 -0.990 766 HB THR 126 HB THR 126 -17.904 19.025 -3.355 767 HG1 THR 126 1HG THR 126 -19.835 18.832 -4.505 768 HG21 THR 126 3HG2 THR 126 -17.142 17.088 -2.002 769 HG22 THR 126 1HG2 THR 126 -17.128 16.753 -3.738 770 HG23 THR 126 2HG2 THR 126 -18.430 16.093 -2.721 Start of MODEL 12 1 H1 GLY 1 H GLY 1 19.591 -12.417 16.042 2 HA2 GLY 1 1HA GLY 1 17.198 -14.073 15.486 3 HA3 GLY 1 2HA GLY 1 17.301 -12.775 16.704 4 H CYS 2 H CYS 2 15.589 -11.471 15.743 5 HA CYS 2 HA CYS 2 15.614 -10.955 12.947 6 HB3 CYS 2 2HB CYS 2 13.621 -10.742 14.531 7 HG CYS 2 HG CYS 2 14.645 -9.196 16.486 8 H LEU 3 H LEU 3 15.729 -8.794 11.947 9 HA LEU 3 HA LEU 3 17.848 -7.041 13.003 10 HB3 LEU 3 2HB LEU 3 18.398 -6.636 10.536 11 HG LEU 3 HG LEU 3 19.990 -8.313 10.191 12 HD11 LEU 3 1HD1 LEU 3 20.459 -6.764 12.103 13 HD12 LEU 3 2HD1 LEU 3 21.272 -8.335 12.240 14 HD13 LEU 3 3HD1 LEU 3 19.843 -7.994 13.217 15 HD21 LEU 3 3HD2 LEU 3 20.162 -10.431 11.255 16 HD22 LEU 3 1HD2 LEU 3 18.462 -10.298 10.712 17 HD23 LEU 3 2HD2 LEU 3 18.886 -10.040 12.404 18 HA PRO 4 HA PRO 4 14.552 -4.346 12.596 19 HB3 PRO 4 2HB PRO 4 15.832 -2.890 13.832 20 HG3 PRO 4 2HG PRO 4 18.137 -2.463 13.269 21 HD3 PRO 4 2HD PRO 4 17.907 -4.797 13.580 22 H GLY 5 H GLY 5 13.314 -2.862 11.334 23 HA2 GLY 5 1HA GLY 5 13.274 -3.232 8.518 24 HA3 GLY 5 2HA GLY 5 12.402 -1.978 9.421 25 H PHE 6 H PHE 6 13.535 -1.609 6.878 26 HA PHE 6 HA PHE 6 16.163 -0.739 6.778 27 HB3 PHE 6 2HB PHE 6 14.842 0.600 4.722 28 HD1 PHE 6 1HD PHE 6 15.989 -2.837 5.795 29 HD2 PHE 6 2HD PHE 6 15.330 -0.133 2.476 30 HE1 PHE 6 1HE PHE 6 17.209 -4.350 4.290 31 HE2 PHE 6 2HE PHE 6 16.458 -1.723 0.974 32 HZ PHE 6 HZ PHE 6 17.472 -3.806 1.884 33 HA PRO 7 HA PRO 7 16.335 3.437 8.235 34 HB3 PRO 7 2HB PRO 7 18.558 3.243 7.805 35 HG3 PRO 7 2HG PRO 7 19.386 2.317 5.761 36 HD3 PRO 7 2HD PRO 7 18.023 0.780 6.913 37 H GLY 8 H GLY 8 14.482 2.830 5.635 38 HA2 GLY 8 1HA GLY 8 13.614 5.575 5.199 39 HA3 GLY 8 2HA GLY 8 14.220 4.685 3.747 40 H ALA 9 H ALA 9 11.424 5.463 4.899 41 HA ALA 9 HA ALA 9 10.140 3.220 3.537 42 HB1 ALA 9 1HB ALA 9 8.427 3.196 5.423 43 HB2 ALA 9 2HB ALA 9 10.014 2.563 5.897 44 HB3 ALA 9 3HB ALA 9 9.525 4.205 6.370 45 HA PRO 10 HA PRO 10 7.482 6.854 2.444 46 HB3 PRO 10 2HB PRO 10 6.193 5.771 0.941 47 HG3 PRO 10 2HG PRO 10 6.345 3.489 0.852 48 HD3 PRO 10 2HD PRO 10 8.476 3.493 1.621 49 H CYS 11 H CYS 11 6.242 8.267 3.750 50 HA CYS 11 HA CYS 11 5.469 7.299 6.457 51 HB3 CYS 11 2HB CYS 11 6.333 9.429 7.350 52 HG CYS 11 HG CYS 11 9.000 9.494 6.622 53 H ALA 12 H ALA 12 4.149 9.026 7.529 54 HA ALA 12 HA ALA 12 2.110 10.014 7.732 55 HB1 ALA 12 1HB ALA 12 3.446 11.827 5.757 56 HB2 ALA 12 2HB ALA 12 2.280 12.304 7.014 57 HB3 ALA 12 3HB ALA 12 3.892 11.718 7.482 58 H ILE 13 H ILE 13 1.867 8.033 5.684 59 HA ILE 13 HA ILE 13 0.724 8.723 3.269 60 HB ILE 13 HB ILE 13 0.137 6.395 5.154 61 HG13 ILE 13 2HG1 ILE 13 2.411 7.152 3.363 62 HG21 ILE 13 1HG2 ILE 13 -1.611 6.460 3.442 63 HG22 ILE 13 2HG2 ILE 13 -0.393 6.591 2.163 64 HG23 ILE 13 3HG2 ILE 13 -0.524 5.119 3.159 65 HD11 ILE 13 3HD1 ILE 13 2.776 6.586 5.810 66 HD12 ILE 13 1HD1 ILE 13 2.208 4.939 5.439 67 HD13 ILE 13 2HD1 ILE 13 3.670 5.571 4.665 68 H LYS 14 H LYS 14 -1.423 9.173 2.564 69 HA LYS 14 HA LYS 14 -3.468 9.692 4.717 70 HB3 LYS 14 2HB LYS 14 -4.326 11.461 3.164 71 HG3 LYS 14 2HG LYS 14 -2.388 13.089 3.363 72 HD3 LYS 14 2HD LYS 14 -3.833 11.721 5.601 73 HE3 LYS 14 2HE LYS 14 -2.710 13.176 7.267 74 HZ1 LYS 14 3HZ LYS 14 -2.130 10.818 7.006 75 HZ2 LYS 14 1HZ LYS 14 -0.946 11.726 7.680 76 HZ3 LYS 14 2HZ LYS 14 -0.815 11.251 6.108 77 H ILE 15 H ILE 15 -5.630 9.160 4.191 78 HA ILE 15 HA ILE 15 -6.202 7.878 1.656 79 HB ILE 15 HB ILE 15 -6.957 6.292 4.124 80 HG13 ILE 15 2HG1 ILE 15 -4.447 6.443 4.098 81 HG21 ILE 15 1HG2 ILE 15 -8.040 5.928 1.841 82 HG22 ILE 15 2HG2 ILE 15 -6.450 5.405 1.247 83 HG23 ILE 15 3HG2 ILE 15 -7.280 4.489 2.508 84 HD11 ILE 15 3HD1 ILE 15 -5.524 3.645 3.653 85 HD12 ILE 15 1HD1 ILE 15 -4.032 4.102 4.489 86 HD13 ILE 15 2HD1 ILE 15 -5.600 4.549 5.184 87 H SER 16 H SER 16 -8.051 8.471 1.106 88 HA SER 16 HA SER 16 -10.308 9.008 2.928 89 HB3 SER 16 2HB SER 16 -9.446 11.068 0.851 90 HG SER 16 HG SER 16 -10.796 12.341 2.275 91 H LYS 17 H LYS 17 -12.285 9.554 1.294 92 HA LYS 17 HA LYS 17 -12.189 7.446 -0.810 93 HB3 LYS 17 2HB LYS 17 -14.340 7.720 1.337 94 HG3 LYS 17 2HG LYS 17 -13.661 5.525 -0.694 95 HD3 LYS 17 2HD LYS 17 -15.791 5.383 1.482 96 HE3 LYS 17 2HE LYS 17 -15.322 2.883 1.127 97 HZ1 LYS 17 3HZ LYS 17 -17.348 3.872 0.202 98 HZ2 LYS 17 1HZ LYS 17 -16.754 2.671 -0.723 99 HZ3 LYS 17 2HZ LYS 17 -16.531 4.186 -1.227 100 H SER 18 H SER 18 -13.995 7.588 -2.293 101 HA SER 18 HA SER 18 -15.541 10.069 -2.436 102 HB3 SER 18 2HB SER 18 -14.651 10.523 -4.720 103 HG SER 18 HG SER 18 -12.230 10.299 -3.479 104 HA PRO 19 HA PRO 19 -18.217 7.136 -4.628 105 HB3 PRO 19 2HB PRO 19 -19.760 8.764 -5.109 106 HG3 PRO 19 2HG PRO 19 -19.058 11.002 -5.616 107 HD3 PRO 19 2HD PRO 19 -18.125 10.305 -3.519 108 H ASP 20 H ASP 20 -15.717 8.895 -6.408 109 HA ASP 20 HA ASP 20 -15.903 7.129 -8.718 110 HB3 ASP 20 2HB ASP 20 -13.968 9.398 -8.133 111 H GLY 21 H GLY 21 -13.604 7.621 -5.964 112 HA2 GLY 21 1HA GLY 21 -12.378 5.044 -6.296 113 HA3 GLY 21 2HA GLY 21 -11.364 6.396 -6.855 114 H ALA 22 H ALA 22 -9.855 5.511 -4.927 115 HA ALA 22 HA ALA 22 -10.751 7.075 -2.531 116 HB1 ALA 22 1HB ALA 22 -10.736 4.659 -1.957 117 HB2 ALA 22 2HB ALA 22 -9.022 4.577 -2.412 118 HB3 ALA 22 3HB ALA 22 -9.525 5.582 -1.068 119 H HIS 23 H HIS 23 -9.352 8.471 -1.667 120 HA HIS 23 HA HIS 23 -7.234 9.475 -3.451 121 HB3 HIS 23 2HB HIS 23 -7.216 11.158 -1.287 122 HD1 HIS 23 1HD HIS 23 -10.494 11.986 -2.552 123 HD2 HIS 23 2HD HIS 23 -6.552 12.040 -4.032 124 HE1 HIS 23 1HE HIS 23 -10.505 13.560 -4.596 125 H LEU 24 H LEU 24 -5.513 8.114 -3.264 126 HA LEU 24 HA LEU 24 -4.305 7.617 -0.600 127 HB3 LEU 24 2HB LEU 24 -2.743 6.349 -2.310 128 HG LEU 24 HG LEU 24 -4.108 4.351 -2.193 129 HD11 LEU 24 1HD1 LEU 24 -2.587 4.949 -0.402 130 HD12 LEU 24 2HD1 LEU 24 -3.991 4.054 0.208 131 HD13 LEU 24 3HD1 LEU 24 -3.888 5.814 0.439 132 HD21 LEU 24 3HD2 LEU 24 -6.327 5.289 -2.475 133 HD22 LEU 24 1HD2 LEU 24 -6.237 6.035 -0.873 134 HD23 LEU 24 2HD2 LEU 24 -6.239 4.268 -1.026 135 H THR 25 H THR 25 -2.594 8.945 0.060 136 HA THR 25 HA THR 25 -0.785 9.945 -2.032 137 HB THR 25 HB THR 25 -0.695 12.145 -1.367 138 HG1 THR 25 1HG THR 25 -2.507 12.097 0.700 139 HG21 THR 25 3HG2 THR 25 -2.905 11.710 -2.572 140 HG22 THR 25 1HG2 THR 25 -2.872 13.173 -1.588 141 HG23 THR 25 2HG2 THR 25 -3.691 11.710 -1.001 142 H TRP 26 H TRP 26 1.283 10.555 -1.086 143 HA TRP 26 HA TRP 26 1.895 9.770 1.700 144 HB3 TRP 26 2HB TRP 26 3.221 7.915 1.336 145 HD1 TRP 26 HD TRP 26 1.833 5.795 1.244 146 HE1 TRP 26 1HE TRP 26 0.196 4.632 -0.348 147 HE3 TRP 26 3HE TRP 26 2.232 9.015 -2.621 148 HZ2 TRP 26 2HZ TRP 26 -1.006 5.241 -2.913 149 HZ3 TRP 26 3HZ TRP 26 0.793 8.775 -4.585 150 HH2 TRP 26 HH TRP 26 -0.966 7.023 -4.645 151 H GLU 27 H GLU 27 4.275 10.079 2.162 152 HA GLU 27 HA GLU 27 5.088 12.535 0.665 153 HB3 GLU 27 2HB GLU 27 4.588 12.396 3.192 154 HG3 GLU 27 2HG GLU 27 7.450 11.474 3.260 155 HA PRO 28 HA PRO 28 8.573 10.787 -1.241 156 HB3 PRO 28 2HB PRO 28 8.964 12.918 -2.088 157 HG3 PRO 28 2HG PRO 28 8.964 14.832 -0.657 158 HD3 PRO 28 2HD PRO 28 6.861 13.749 -0.445 159 HA PRO 29 HA PRO 29 11.788 9.194 1.522 160 HB3 PRO 29 2HB PRO 29 12.802 8.022 -0.169 161 HG3 PRO 29 2HG PRO 29 12.892 8.893 -2.362 162 HD3 PRO 29 2HD PRO 29 10.635 9.310 -1.900 163 H SER 30 H SER 30 12.324 10.481 3.207 164 HA SER 30 HA SER 30 14.225 12.669 2.914 165 HB3 SER 30 2HB SER 30 12.598 14.244 4.165 166 HG SER 30 HG SER 30 12.438 13.351 1.518 167 H VAL 31 H VAL 31 13.914 10.013 4.272 168 HA VAL 31 HA VAL 31 14.843 10.928 6.928 169 HB VAL 31 HB VAL 31 13.764 8.200 6.143 170 HG11 VAL 31 1HG1 VAL 31 14.985 9.153 8.765 171 HG12 VAL 31 2HG1 VAL 31 14.120 7.612 8.523 172 HG13 VAL 31 3HG1 VAL 31 15.643 7.914 7.679 173 HG21 VAL 31 3HG2 VAL 31 12.009 9.881 6.543 174 HG22 VAL 31 1HG2 VAL 31 12.070 8.756 7.910 175 HG23 VAL 31 2HG2 VAL 31 12.786 10.366 8.066 176 H THR 32 H THR 32 15.477 8.383 4.441 177 HA THR 32 HA THR 32 18.334 9.163 4.555 178 HB THR 32 HB THR 32 17.791 6.878 5.535 179 HG1 THR 32 1HG THR 32 19.794 7.271 5.173 180 HG21 THR 32 3HG2 THR 32 17.593 5.004 4.019 181 HG22 THR 32 1HG2 THR 32 17.605 6.062 2.604 182 HG23 THR 32 2HG2 THR 32 16.230 6.097 3.734 183 H SER 33 H SER 33 19.387 8.918 2.414 184 HA SER 33 HA SER 33 17.796 10.104 0.371 185 HB3 SER 33 2HB SER 33 19.816 10.149 -0.911 186 HG SER 33 HG SER 33 19.846 11.356 1.067 187 H GLY 34 H GLY 34 19.536 6.935 0.248 188 HA2 GLY 34 1HA GLY 34 19.126 5.058 -1.024 189 HA3 GLY 34 2HA GLY 34 17.436 5.541 -1.147 190 H LYS 35 H LYS 35 18.689 4.402 -3.288 191 HA LYS 35 HA LYS 35 18.578 6.684 -5.224 192 HB3 LYS 35 2HB LYS 35 19.472 5.017 -6.869 193 HG3 LYS 35 2HG LYS 35 21.272 5.601 -4.479 194 HD3 LYS 35 2HD LYS 35 22.301 4.130 -6.201 195 HE3 LYS 35 2HE LYS 35 21.062 5.061 -8.194 196 HZ1 LYS 35 3HZ LYS 35 23.060 7.242 -8.043 197 HZ2 LYS 35 1HZ LYS 35 21.437 7.461 -7.756 198 HZ3 LYS 35 2HZ LYS 35 21.987 6.990 -9.236 199 H ILE 36 H ILE 36 16.399 6.810 -4.759 200 HA ILE 36 HA ILE 36 14.560 4.600 -5.322 201 HB ILE 36 HB ILE 36 14.201 7.506 -4.637 202 HG13 ILE 36 2HG1 ILE 36 13.237 4.887 -3.442 203 HG21 ILE 36 1HG2 ILE 36 11.913 5.739 -5.550 204 HG22 ILE 36 2HG2 ILE 36 11.824 7.397 -4.919 205 HG23 ILE 36 3HG2 ILE 36 12.572 7.123 -6.465 206 HD11 ILE 36 3HD1 ILE 36 14.266 5.771 -1.354 207 HD12 ILE 36 1HD1 ILE 36 15.477 5.448 -2.598 208 HD13 ILE 36 2HD1 ILE 36 14.952 7.123 -2.281 209 H ILE 37 H ILE 37 13.372 4.393 -7.124 210 HA ILE 37 HA ILE 37 14.131 5.901 -9.556 211 HB ILE 37 HB ILE 37 13.993 3.671 -10.737 212 HG13 ILE 37 2HG1 ILE 37 12.838 2.415 -8.929 213 HG21 ILE 37 1HG2 ILE 37 16.269 3.906 -8.701 214 HG22 ILE 37 2HG2 ILE 37 16.335 3.138 -10.299 215 HG23 ILE 37 3HG2 ILE 37 16.132 4.878 -10.184 216 HD11 ILE 37 3HD1 ILE 37 15.504 1.124 -9.589 217 HD12 ILE 37 1HD1 ILE 37 14.048 0.314 -8.995 218 HD13 ILE 37 2HD1 ILE 37 14.035 1.068 -10.599 219 H GLU 38 H GLU 38 11.600 4.321 -7.573 220 HA GLU 38 HA GLU 38 9.573 5.817 -8.824 221 HB3 GLU 38 2HB GLU 38 9.238 2.814 -9.287 222 HG3 GLU 38 2HG GLU 38 7.999 5.368 -10.379 223 H TYR 39 H TYR 39 7.306 4.693 -7.726 224 HA TYR 39 HA TYR 39 8.014 3.251 -5.204 225 HB3 TYR 39 2HB TYR 39 5.799 4.433 -4.396 226 HD1 TYR 39 2HD TYR 39 8.682 6.698 -5.291 227 HD2 TYR 39 1HD TYR 39 6.673 4.467 -2.196 228 HE1 TYR 39 2HE TYR 39 10.196 7.656 -3.572 229 HE2 TYR 39 1HE TYR 39 8.184 5.405 -0.504 230 HH TYR 39 HH TYR 39 9.889 7.178 -0.093 231 H SER 40 H SER 40 6.086 1.859 -4.427 232 HA SER 40 HA SER 40 3.939 1.608 -6.407 233 HB3 SER 40 2HB SER 40 4.952 -0.990 -5.335 234 HG SER 40 HG SER 40 3.918 -0.365 -7.889 235 H VAL 41 H VAL 41 2.192 0.123 -5.536 236 HA VAL 41 HA VAL 41 1.918 0.066 -2.627 237 HB VAL 41 HB VAL 41 -0.126 1.548 -4.304 238 HG11 VAL 41 1HG1 VAL 41 -0.865 2.336 -1.996 239 HG12 VAL 41 2HG1 VAL 41 -1.170 0.657 -2.451 240 HG13 VAL 41 3HG1 VAL 41 0.175 1.025 -1.369 241 HG21 VAL 41 3HG2 VAL 41 1.906 3.010 -4.325 242 HG22 VAL 41 1HG2 VAL 41 0.610 3.681 -3.367 243 HG23 VAL 41 2HG2 VAL 41 1.960 2.886 -2.546 244 H TYR 42 H TYR 42 0.889 -1.762 -2.147 245 HA TYR 42 HA TYR 42 -0.746 -3.092 -4.235 246 HB3 TYR 42 2HB TYR 42 0.032 -5.125 -3.555 247 HD1 TYR 42 2HD TYR 42 1.399 -3.400 -5.481 248 HD2 TYR 42 1HD TYR 42 2.811 -5.151 -1.785 249 HE1 TYR 42 2HE TYR 42 3.701 -3.387 -6.350 250 HE2 TYR 42 1HE TYR 42 5.111 -5.124 -2.665 251 HH TYR 42 HH TYR 42 5.882 -4.175 -6.012 252 H LEU 43 H LEU 43 -2.692 -3.923 -3.632 253 HA LEU 43 HA LEU 43 -3.976 -3.032 -1.067 254 HB3 LEU 43 2HB LEU 43 -4.928 -3.336 -3.958 255 HG LEU 43 HG LEU 43 -6.719 -3.823 -2.138 256 HD11 LEU 43 1HD1 LEU 43 -6.069 -1.963 -0.628 257 HD12 LEU 43 2HD1 LEU 43 -7.744 -1.831 -1.207 258 HD13 LEU 43 3HD1 LEU 43 -6.498 -0.795 -1.902 259 HD21 LEU 43 3HD2 LEU 43 -7.482 -1.514 -3.936 260 HD22 LEU 43 1HD2 LEU 43 -8.453 -2.890 -3.394 261 HD23 LEU 43 2HD2 LEU 43 -7.161 -3.141 -4.579 262 H ALA 44 H ALA 44 -5.137 -4.857 0.128 263 HA ALA 44 HA ALA 44 -4.799 -7.484 -1.144 264 HB1 ALA 44 1HB ALA 44 -4.791 -7.402 1.289 265 HB2 ALA 44 2HB ALA 44 -6.399 -6.626 1.282 266 HB3 ALA 44 3HB ALA 44 -6.205 -8.294 0.725 267 H ILE 45 H ILE 45 -6.238 -8.567 -2.437 268 HA ILE 45 HA ILE 45 -8.967 -7.630 -2.658 269 HB ILE 45 HB ILE 45 -9.053 -7.267 -4.966 270 HG13 ILE 45 2HG1 ILE 45 -7.178 -7.523 -6.557 271 HG21 ILE 45 1HG2 ILE 45 -6.443 -5.905 -4.217 272 HG22 ILE 45 2HG2 ILE 45 -7.548 -5.452 -5.509 273 HG23 ILE 45 3HG2 ILE 45 -8.083 -5.338 -3.826 274 HD11 ILE 45 3HD1 ILE 45 -5.356 -7.896 -4.672 275 HD12 ILE 45 1HD1 ILE 45 -5.926 -9.568 -4.722 276 HD13 ILE 45 2HD1 ILE 45 -5.276 -8.831 -6.186 277 H GLN 46 H GLN 46 -10.187 -9.199 -4.113 278 HA GLN 46 HA GLN 46 -9.245 -11.992 -3.852 279 HB3 GLN 46 2HB GLN 46 -11.535 -12.259 -5.170 280 HG3 GLN 46 2HG GLN 46 -12.793 -12.065 -2.985 281 HE21 GLN 46 1HE2 GLN 46 -9.837 -12.967 -1.398 282 HE22 GLN 46 2HE2 GLN 46 -9.862 -14.649 -1.915 283 H SER 47 H SER 47 -7.550 -12.227 -5.113 284 HA SER 47 HA SER 47 -7.839 -13.033 -7.729 285 HB3 SER 47 2HB SER 47 -5.804 -11.358 -8.465 286 HG SER 47 HG SER 47 -7.342 -11.421 -9.855 287 H SER 48 H SER 48 -5.248 -13.462 -8.466 288 HA SER 48 HA SER 48 -3.588 -14.007 -6.114 289 HB3 SER 48 2HB SER 48 -4.094 -16.211 -8.134 290 HG SER 48 HG SER 48 -3.657 -17.265 -5.925 291 H GLN 49 H GLN 49 -1.452 -15.187 -7.274 292 HA GLN 49 HA GLN 49 0.402 -14.898 -8.429 293 HB3 GLN 49 2HB GLN 49 0.304 -14.235 -10.840 294 HG3 GLN 49 2HG GLN 49 -1.543 -16.411 -9.798 295 HE21 GLN 49 1HE2 GLN 49 -0.547 -14.744 -12.827 296 HE22 GLN 49 2HE2 GLN 49 -1.509 -15.814 -13.817 297 H ALA 50 H ALA 50 1.662 -13.513 -7.375 298 HA ALA 50 HA ALA 50 1.772 -10.685 -8.193 299 HB1 ALA 50 1HB ALA 50 1.963 -10.015 -5.798 300 HB2 ALA 50 2HB ALA 50 0.357 -10.649 -6.204 301 HB3 ALA 50 3HB ALA 50 1.518 -11.667 -5.322 302 H SER 51 H SER 51 3.942 -9.713 -7.091 303 HA SER 51 HA SER 51 6.001 -11.204 -6.094 304 HB3 SER 51 2HB SER 51 6.317 -12.614 -7.906 305 HG SER 51 HG SER 51 4.999 -10.922 -9.337 306 H GLY 52 H GLY 52 7.473 -9.698 -5.367 307 HA2 GLY 52 1HA GLY 52 8.326 -7.471 -7.094 308 HA3 GLY 52 2HA GLY 52 7.269 -6.994 -5.767 309 H GLU 53 H GLU 53 9.026 -9.497 -4.460 310 HA GLU 53 HA GLU 53 10.521 -7.561 -2.886 311 HB3 GLU 53 2HB GLU 53 9.331 -9.107 -1.626 312 HG3 GLU 53 2HG GLU 53 10.095 -11.647 -1.784 313 HA PRO 54 HA PRO 54 14.538 -8.348 -4.584 314 HB3 PRO 54 2HB PRO 54 15.124 -6.456 -3.412 315 HG3 PRO 54 2HG PRO 54 14.381 -6.050 -1.220 316 HD3 PRO 54 2HD PRO 54 12.365 -6.580 -2.186 317 H LYS 55 H LYS 55 16.739 -9.439 -4.031 318 HA LYS 55 HA LYS 55 17.898 -11.330 -3.799 319 HB3 LYS 55 2HB LYS 55 16.213 -12.240 -1.476 320 HG3 LYS 55 2HG LYS 55 18.312 -13.542 -2.233 321 HD3 LYS 55 2HD LYS 55 19.782 -11.432 -2.457 322 HE3 LYS 55 2HE LYS 55 19.773 -11.816 0.579 323 HZ1 LYS 55 3HZ LYS 55 22.005 -11.446 -0.303 324 HZ2 LYS 55 1HZ LYS 55 21.500 -10.137 0.557 325 HZ3 LYS 55 2HZ LYS 55 21.502 -10.065 -1.067 326 H SER 56 H SER 56 14.876 -11.313 -4.972 327 HA SER 56 HA SER 56 13.415 -12.668 -5.888 328 HB3 SER 56 2HB SER 56 14.868 -15.241 -5.449 329 HG SER 56 HG SER 56 12.922 -15.124 -6.608 330 H SER 57 H SER 57 14.857 -14.720 -3.285 331 HA SER 57 HA SER 57 14.101 -15.543 -1.375 332 HB3 SER 57 2HB SER 57 12.140 -13.214 -1.401 333 HG SER 57 HG SER 57 11.827 -13.544 0.633 334 H THR 58 H THR 58 11.205 -14.384 -2.991 335 HA THR 58 HA THR 58 10.069 -16.925 -3.623 336 HB THR 58 HB THR 58 9.986 -17.022 -1.139 337 HG1 THR 58 1HG THR 58 7.872 -17.448 -0.882 338 HG21 THR 58 3HG2 THR 58 8.172 -14.592 -1.193 339 HG22 THR 58 1HG2 THR 58 9.852 -14.571 -0.650 340 HG23 THR 58 2HG2 THR 58 8.676 -15.530 0.233 341 HA PRO 59 HA PRO 59 7.914 -13.565 -5.764 342 HB3 PRO 59 2HB PRO 59 8.062 -15.000 -7.595 343 HG3 PRO 59 2HG PRO 59 7.631 -17.297 -7.402 344 HD3 PRO 59 2HD PRO 59 9.126 -17.119 -5.651 345 H ALA 60 H ALA 60 6.967 -12.861 -3.713 346 HA ALA 60 HA ALA 60 5.373 -12.351 -2.264 347 HB1 ALA 60 1HB ALA 60 3.398 -11.430 -3.193 348 HB2 ALA 60 2HB ALA 60 4.860 -10.938 -4.090 349 HB3 ALA 60 3HB ALA 60 3.762 -12.201 -4.755 350 H GLN 61 H GLN 61 5.011 -13.859 -0.901 351 HA GLN 61 HA GLN 61 3.146 -16.061 -1.357 352 HB3 GLN 61 2HB GLN 61 3.757 -16.683 0.921 353 HG3 GLN 61 2HG GLN 61 6.087 -15.610 -0.508 354 HE21 GLN 61 1HE2 GLN 61 5.427 -16.128 2.609 355 HE22 GLN 61 2HE2 GLN 61 6.878 -17.016 3.057 356 H LEU 62 H LEU 62 1.914 -13.716 -1.869 357 HA LEU 62 HA LEU 62 -0.204 -13.273 0.094 358 HB3 LEU 62 2HB LEU 62 0.246 -10.995 0.498 359 HG LEU 62 HG LEU 62 3.080 -12.117 0.204 360 HD11 LEU 62 1HD1 LEU 62 2.403 -9.406 1.361 361 HD12 LEU 62 2HD1 LEU 62 2.963 -9.631 -0.309 362 HD13 LEU 62 3HD1 LEU 62 3.998 -10.111 1.047 363 HD21 LEU 62 3HD2 LEU 62 1.556 -11.140 2.654 364 HD22 LEU 62 1HD2 LEU 62 3.094 -12.028 2.627 365 HD23 LEU 62 2HD2 LEU 62 1.584 -12.834 2.167 366 H ALA 63 H ALA 63 -1.951 -12.320 -1.106 367 HA ALA 63 HA ALA 63 -1.391 -11.835 -3.999 368 HB1 ALA 63 1HB ALA 63 -3.940 -12.995 -2.811 369 HB2 ALA 63 2HB ALA 63 -3.723 -12.439 -4.479 370 HB3 ALA 63 3HB ALA 63 -2.764 -13.806 -3.880 371 H PHE 64 H PHE 64 -1.400 -9.798 -4.417 372 HA PHE 64 HA PHE 64 -3.422 -8.015 -3.232 373 HB3 PHE 64 2HB PHE 64 -1.756 -6.253 -3.042 374 HD1 PHE 64 2HD PHE 64 -2.927 -8.190 -0.916 375 HD2 PHE 64 1HD PHE 64 1.089 -7.045 -1.967 376 HE1 PHE 64 2HE PHE 64 -2.215 -8.657 1.367 377 HE2 PHE 64 1HE PHE 64 1.822 -7.552 0.303 378 HZ PHE 64 HZ PHE 64 0.199 -8.421 1.999 379 H MET 65 H MET 65 -3.706 -6.110 -4.607 380 HA MET 65 HA MET 65 -2.948 -6.502 -7.470 381 HB3 MET 65 2HB MET 65 -5.267 -4.988 -6.191 382 HG3 MET 65 2HG MET 65 -4.051 -4.857 -8.871 383 HE1 MET 65 3HE MET 65 -8.654 -4.856 -9.182 384 HE2 MET 65 1HE MET 65 -7.925 -5.321 -7.636 385 HE3 MET 65 2HE MET 65 -7.682 -3.674 -8.281 386 H ARG 66 H ARG 66 -1.521 -5.078 -8.298 387 HA ARG 66 HA ARG 66 -0.425 -2.879 -6.753 388 HB3 ARG 66 2HB ARG 66 -0.208 -3.595 -9.695 389 HG3 ARG 66 2HG ARG 66 2.083 -2.446 -8.128 390 HD3 ARG 66 2HD ARG 66 2.867 -1.723 -10.267 391 HE ARG 66 HE ARG 66 1.359 -4.106 -11.173 392 HH11 ARG 66 1HH1 ARG 66 4.599 -2.852 -10.123 393 HH12 ARG 66 2HH1 ARG 66 5.283 -4.434 -10.211 394 HH21 ARG 66 1HH2 ARG 66 2.362 -6.141 -11.167 395 HH22 ARG 66 2HH2 ARG 66 4.002 -6.330 -10.690 396 H VAL 67 H VAL 67 -2.323 -1.700 -6.275 397 HA VAL 67 HA VAL 67 -4.089 -0.652 -8.281 398 HB VAL 67 HB VAL 67 -4.677 0.975 -6.382 399 HG11 VAL 67 1HG1 VAL 67 -5.933 -1.069 -6.964 400 HG12 VAL 67 2HG1 VAL 67 -4.831 -2.056 -5.986 401 HG13 VAL 67 3HG1 VAL 67 -5.870 -0.843 -5.216 402 HG21 VAL 67 3HG2 VAL 67 -2.947 -0.917 -4.696 403 HG22 VAL 67 1HG2 VAL 67 -2.559 0.785 -5.034 404 HG23 VAL 67 2HG2 VAL 67 -4.010 0.379 -4.129 405 H TYR 68 H TYR 68 -1.208 0.692 -6.678 406 HA TYR 68 HA TYR 68 -1.253 3.237 -8.097 407 HB3 TYR 68 2HB TYR 68 0.761 1.798 -6.376 408 HD1 TYR 68 1HD TYR 68 2.639 2.659 -7.810 409 HD2 TYR 68 2HD TYR 68 -0.204 5.242 -5.854 410 HE1 TYR 68 1HE TYR 68 4.101 4.515 -8.151 411 HE2 TYR 68 2HE TYR 68 1.347 7.173 -6.203 412 HH TYR 68 HH TYR 68 3.841 7.121 -8.408 413 H CYS 69 H CYS 69 -1.021 3.135 -10.301 414 HA CYS 69 HA CYS 69 1.529 2.295 -11.343 415 HB3 CYS 69 2HB CYS 69 -0.934 0.825 -12.376 416 HG CYS 69 HG CYS 69 0.554 -0.793 -13.668 417 H GLY 70 H GLY 70 1.251 4.774 -11.594 418 HA2 GLY 70 1HA GLY 70 0.486 5.261 -14.301 419 HA3 GLY 70 2HA GLY 70 -0.744 5.868 -13.191 420 HA PRO 71 HA PRO 71 2.429 9.260 -13.511 421 HB3 PRO 71 2HB PRO 71 2.112 9.542 -15.849 422 HG3 PRO 71 2HG PRO 71 -0.090 9.182 -16.815 423 HD3 PRO 71 2HD PRO 71 0.802 7.167 -15.929 424 H SER 72 H SER 72 -0.812 8.597 -12.706 425 HA SER 72 HA SER 72 -2.153 10.828 -12.267 426 HB3 SER 72 2HB SER 72 -3.496 9.566 -10.745 427 HG SER 72 HG SER 72 -3.335 7.412 -11.674 428 HA PRO 73 HA PRO 73 -0.107 13.121 -8.964 429 HB3 PRO 73 2HB PRO 73 -1.239 15.017 -9.597 430 HG3 PRO 73 2HG PRO 73 -3.454 14.889 -10.467 431 HD3 PRO 73 2HD PRO 73 -2.251 13.307 -11.743 432 H SER 74 H SER 74 0.382 11.778 -7.342 433 HA SER 74 HA SER 74 0.321 10.537 -5.441 434 HB3 SER 74 2HB SER 74 -0.864 11.001 -3.739 435 HG SER 74 HG SER 74 -1.337 13.154 -3.732 436 H CYS 75 H CYS 75 -3.219 9.966 -6.112 437 HA CYS 75 HA CYS 75 -2.854 8.002 -8.102 438 HB3 CYS 75 2HB CYS 75 -3.167 7.032 -5.233 439 HG CYS 75 HG CYS 75 -3.297 5.225 -7.987 440 H LEU 76 H LEU 76 -4.875 7.038 -8.669 441 HA LEU 76 HA LEU 76 -7.302 7.835 -7.217 442 HB3 LEU 76 2HB LEU 76 -7.155 7.807 -10.273 443 HG LEU 76 HG LEU 76 -9.187 9.073 -10.213 444 HD11 LEU 76 1HD1 LEU 76 -9.513 6.599 -10.109 445 HD12 LEU 76 2HD1 LEU 76 -10.851 7.515 -9.368 446 HD13 LEU 76 3HD1 LEU 76 -9.665 6.719 -8.344 447 HD21 LEU 76 3HD2 LEU 76 -10.274 9.883 -8.323 448 HD22 LEU 76 1HD2 LEU 76 -8.576 10.207 -7.995 449 HD23 LEU 76 2HD2 LEU 76 -9.369 8.840 -7.191 450 H VAL 77 H VAL 77 -7.572 5.769 -6.328 451 HA VAL 77 HA VAL 77 -7.212 3.389 -8.024 452 HB VAL 77 HB VAL 77 -6.390 3.522 -5.696 453 HG11 VAL 77 1HG1 VAL 77 -7.685 3.031 -3.805 454 HG12 VAL 77 2HG1 VAL 77 -8.077 4.611 -4.514 455 HG13 VAL 77 3HG1 VAL 77 -9.186 3.235 -4.746 456 HG21 VAL 77 3HG2 VAL 77 -8.461 1.336 -6.171 457 HG22 VAL 77 1HG2 VAL 77 -6.879 1.359 -6.970 458 HG23 VAL 77 2HG2 VAL 77 -6.986 1.186 -5.205 459 H GLN 78 H GLN 78 -8.920 2.753 -9.260 460 HA GLN 78 HA GLN 78 -11.382 4.218 -9.230 461 HB3 GLN 78 2HB GLN 78 -12.247 2.386 -10.685 462 HG3 GLN 78 2HG GLN 78 -9.473 3.395 -11.417 463 HE21 GLN 78 1HE2 GLN 78 -8.578 2.531 -13.282 464 HE22 GLN 78 2HE2 GLN 78 -9.427 1.459 -14.376 465 H SER 79 H SER 79 -13.392 3.714 -8.457 466 HA SER 79 HA SER 79 -13.749 2.281 -6.094 467 HB3 SER 79 2HB SER 79 -15.309 3.900 -6.523 468 HG SER 79 HG SER 79 -15.238 4.344 -8.618 469 H SER 80 H SER 80 -13.926 0.962 -9.440 470 HA SER 80 HA SER 80 -15.105 -1.533 -8.773 471 HB3 SER 80 2HB SER 80 -15.131 -1.050 -10.986 472 HG SER 80 HG SER 80 -12.613 -0.667 -11.744 473 H SER 81 H SER 81 -11.794 -0.356 -8.211 474 HA SER 81 HA SER 81 -10.694 -3.014 -7.670 475 HB3 SER 81 2HB SER 81 -9.738 -0.286 -6.740 476 HG SER 81 HG SER 81 -8.864 -2.333 -5.824 477 H LEU 82 H LEU 82 -12.364 -0.412 -5.881 478 HA LEU 82 HA LEU 82 -11.804 -1.370 -3.236 479 HB3 LEU 82 2HB LEU 82 -13.550 0.143 -2.510 480 HG LEU 82 HG LEU 82 -12.179 1.466 -4.889 481 HD11 LEU 82 1HD1 LEU 82 -13.424 2.686 -2.380 482 HD12 LEU 82 2HD1 LEU 82 -14.165 2.697 -3.983 483 HD13 LEU 82 3HD1 LEU 82 -12.652 3.571 -3.717 484 HD21 LEU 82 3HD2 LEU 82 -11.345 1.389 -1.981 485 HD22 LEU 82 1HD2 LEU 82 -10.588 2.363 -3.242 486 HD23 LEU 82 2HD2 LEU 82 -10.496 0.603 -3.345 487 H SER 83 H SER 83 -14.534 -1.898 -5.536 488 HA SER 83 HA SER 83 -16.142 -3.574 -4.069 489 HB3 SER 83 2HB SER 83 -16.973 -4.307 -6.215 490 HG SER 83 HG SER 83 -16.958 -2.337 -7.405 491 H ASN 84 H ASN 84 -12.903 -4.422 -5.044 492 HA ASN 84 HA ASN 84 -13.541 -7.340 -4.727 493 HB3 ASN 84 2HB ASN 84 -11.358 -7.671 -6.018 494 HD21 ASN 84 1HD2 ASN 84 -13.553 -5.407 -7.676 495 HD22 ASN 84 2HD2 ASN 84 -14.313 -6.647 -8.670 496 H ALA 85 H ALA 85 -12.241 -4.706 -3.088 497 HA ALA 85 HA ALA 85 -9.749 -5.632 -2.230 498 HB1 ALA 85 1HB ALA 85 -11.709 -3.828 -0.806 499 HB2 ALA 85 2HB ALA 85 -9.956 -3.956 -0.536 500 HB3 ALA 85 3HB ALA 85 -10.565 -3.303 -2.068 501 H HIS 86 H HIS 86 -9.220 -6.450 -0.162 502 HA HIS 86 HA HIS 86 -11.227 -8.277 1.074 503 HB3 HIS 86 2HB HIS 86 -8.459 -9.179 0.201 504 HD1 HIS 86 1HD HIS 86 -8.212 -11.847 0.417 505 HD2 HIS 86 2HD HIS 86 -12.128 -10.337 1.059 506 HE1 HIS 86 1HE HIS 86 -9.641 -13.777 1.168 507 H ILE 87 H ILE 87 -10.356 -9.297 3.173 508 HA ILE 87 HA ILE 87 -9.450 -6.837 4.561 509 HB ILE 87 HB ILE 87 -11.420 -8.873 5.594 510 HG13 ILE 87 2HG1 ILE 87 -13.313 -7.610 4.797 511 HG21 ILE 87 1HG2 ILE 87 -12.238 -6.918 6.885 512 HG22 ILE 87 2HG2 ILE 87 -10.566 -7.309 7.251 513 HG23 ILE 87 3HG2 ILE 87 -10.946 -5.925 6.201 514 HD11 ILE 87 3HD1 ILE 87 -13.059 -6.020 2.876 515 HD12 ILE 87 1HD1 ILE 87 -12.544 -5.353 4.432 516 HD13 ILE 87 2HD1 ILE 87 -11.331 -5.896 3.250 517 H ASP 88 H ASP 88 -8.171 -6.855 6.261 518 HA ASP 88 HA ASP 88 -6.585 -9.242 6.765 519 HB3 ASP 88 2HB ASP 88 -6.330 -6.414 7.860 520 H TYR 89 H TYR 89 -9.061 -9.783 7.642 521 HA TYR 89 HA TYR 89 -9.844 -8.974 10.223 522 HB3 TYR 89 2HB TYR 89 -11.030 -11.268 10.226 523 HD1 TYR 89 1HD TYR 89 -11.933 -8.425 10.090 524 HD2 TYR 89 2HD TYR 89 -12.103 -11.584 7.131 525 HE1 TYR 89 1HE TYR 89 -13.916 -7.384 9.060 526 HE2 TYR 89 2HE TYR 89 -14.088 -10.542 6.127 527 HH TYR 89 HH TYR 89 -15.474 -8.573 6.095 528 H THR 90 H THR 90 -7.090 -10.869 9.485 529 HA THR 90 HA THR 90 -6.924 -12.402 11.882 530 HB THR 90 HB THR 90 -4.305 -11.778 10.949 531 HG1 THR 90 1HG THR 90 -6.023 -12.319 8.749 532 HG21 THR 90 3HG2 THR 90 -4.431 -14.089 9.995 533 HG22 THR 90 1HG2 THR 90 -6.177 -14.096 10.300 534 HG23 THR 90 2HG2 THR 90 -5.035 -13.991 11.655 535 H THR 91 H THR 91 -6.615 -9.015 11.217 536 HA THR 91 HA THR 91 -5.546 -8.533 13.943 537 HB THR 91 HB THR 91 -5.067 -6.633 11.643 538 HG1 THR 91 1HG THR 91 -4.085 -8.170 10.684 539 HG21 THR 91 3HG2 THR 91 -3.466 -7.363 14.128 540 HG22 THR 91 1HG2 THR 91 -4.488 -5.921 13.924 541 HG23 THR 91 2HG2 THR 91 -3.027 -6.129 12.928 542 H LYS 92 H LYS 92 -7.409 -6.963 11.191 543 HA LYS 92 HA LYS 92 -9.336 -5.880 13.093 544 HB3 LYS 92 2HB LYS 92 -8.892 -3.570 11.829 545 HG3 LYS 92 2HG LYS 92 -6.690 -4.258 13.771 546 HD3 LYS 92 2HD LYS 92 -7.080 -1.930 12.929 547 HE3 LYS 92 2HE LYS 92 -9.694 -2.322 13.137 548 HZ1 LYS 92 3HZ LYS 92 -9.163 -0.862 15.621 549 HZ2 LYS 92 1HZ LYS 92 -9.564 -2.461 15.622 550 HZ3 LYS 92 2HZ LYS 92 -10.621 -1.332 15.010 551 HA PRO 93 HA PRO 93 -11.593 -5.731 9.103 552 HB3 PRO 93 2HB PRO 93 -13.601 -5.507 10.176 553 HG3 PRO 93 2HG PRO 93 -13.767 -4.572 12.279 554 HD3 PRO 93 2HD PRO 93 -11.842 -5.761 12.796 555 H ALA 94 H ALA 94 -9.616 -4.965 8.223 556 HA ALA 94 HA ALA 94 -9.940 -2.305 7.131 557 HB1 ALA 94 1HB ALA 94 -7.580 -1.749 7.413 558 HB2 ALA 94 2HB ALA 94 -8.313 -2.011 9.014 559 HB3 ALA 94 3HB ALA 94 -7.252 -3.241 8.302 560 H ILE 95 H ILE 95 -9.117 -2.329 4.999 561 HA ILE 95 HA ILE 95 -8.478 -4.709 3.750 562 HB ILE 95 HB ILE 95 -8.686 -1.851 2.968 563 HG13 ILE 95 2HG1 ILE 95 -10.652 -3.525 3.424 564 HG21 ILE 95 1HG2 ILE 95 -7.901 -4.018 0.980 565 HG22 ILE 95 2HG2 ILE 95 -8.597 -2.431 0.575 566 HG23 ILE 95 3HG2 ILE 95 -7.027 -2.509 1.360 567 HD11 ILE 95 3HD1 ILE 95 -12.127 -2.605 1.882 568 HD12 ILE 95 1HD1 ILE 95 -10.954 -1.317 2.232 569 HD13 ILE 95 2HD1 ILE 95 -10.842 -2.237 0.729 570 H ILE 96 H ILE 96 -6.331 -2.530 4.941 571 HA ILE 96 HA ILE 96 -4.110 -2.113 5.100 572 HB ILE 96 HB ILE 96 -3.867 -5.015 4.236 573 HG13 ILE 96 2HG1 ILE 96 -3.820 -5.676 6.442 574 HG21 ILE 96 1HG2 ILE 96 -1.712 -5.025 5.458 575 HG22 ILE 96 2HG2 ILE 96 -1.688 -4.048 3.990 576 HG23 ILE 96 3HG2 ILE 96 -1.800 -3.253 5.578 577 HD11 ILE 96 3HD1 ILE 96 -4.395 -4.226 8.341 578 HD12 ILE 96 1HD1 ILE 96 -2.815 -3.795 7.662 579 HD13 ILE 96 2HD1 ILE 96 -4.259 -2.824 7.264 580 H PHE 97 H PHE 97 -2.278 -1.511 4.012 581 HA PHE 97 HA PHE 97 -2.270 -1.888 1.066 582 HB3 PHE 97 2HB PHE 97 -1.215 0.419 0.920 583 HD1 PHE 97 2HD PHE 97 -2.839 0.033 -0.965 584 HD2 PHE 97 1HD PHE 97 -4.086 1.385 2.944 585 HE1 PHE 97 2HE PHE 97 -4.959 0.924 -1.932 586 HE2 PHE 97 1HE PHE 97 -6.275 2.099 1.982 587 HZ PHE 97 HZ PHE 97 -6.636 1.959 -0.469 588 H ARG 98 H ARG 98 -0.222 -2.263 0.297 589 HA ARG 98 HA ARG 98 2.063 -2.341 2.257 590 HB3 ARG 98 2HB ARG 98 2.891 -3.918 0.219 591 HG3 ARG 98 2HG ARG 98 3.044 -4.600 2.518 592 HD3 ARG 98 2HD ARG 98 0.040 -4.605 2.420 593 HE ARG 98 HE ARG 98 -0.255 -6.438 3.563 594 HH11 ARG 98 1HH1 ARG 98 3.190 -5.741 4.174 595 HH12 ARG 98 2HH1 ARG 98 3.464 -7.224 4.990 596 HH21 ARG 98 1HH2 ARG 98 0.061 -8.284 4.720 597 HH22 ARG 98 2HH2 ARG 98 1.641 -8.780 5.224 598 H ILE 99 H ILE 99 2.900 -0.301 1.955 599 HA ILE 99 HA ILE 99 3.115 0.808 -0.796 600 HB ILE 99 HB ILE 99 3.292 1.941 1.993 601 HG13 ILE 99 2HG1 ILE 99 0.932 1.012 1.298 602 HG21 ILE 99 1HG2 ILE 99 3.263 4.118 1.174 603 HG22 ILE 99 2HG2 ILE 99 4.350 3.282 0.083 604 HG23 ILE 99 3HG2 ILE 99 2.714 3.620 -0.445 605 HD11 ILE 99 3HD1 ILE 99 1.197 2.630 3.140 606 HD12 ILE 99 1HD1 ILE 99 1.018 3.938 1.950 607 HD13 ILE 99 2HD1 ILE 99 -0.315 2.816 2.214 608 H ALA 100 H ALA 100 5.261 0.866 -1.628 609 HA ALA 100 HA ALA 100 7.359 1.449 0.317 610 HB1 ALA 100 1HB ALA 100 7.700 -0.772 0.671 611 HB2 ALA 100 2HB ALA 100 7.157 -1.254 -0.927 612 HB3 ALA 100 3HB ALA 100 8.782 -0.558 -0.718 613 H ALA 101 H ALA 101 9.490 1.661 -0.674 614 HA ALA 101 HA ALA 101 9.300 3.476 -2.993 615 HB1 ALA 101 1HB ALA 101 11.637 2.873 -1.110 616 HB2 ALA 101 2HB ALA 101 11.478 4.219 -2.255 617 HB3 ALA 101 3HB ALA 101 10.451 4.160 -0.812 618 H ARG 102 H ARG 102 9.980 2.755 -4.966 619 HA ARG 102 HA ARG 102 11.429 0.188 -5.200 620 HB3 ARG 102 2HB ARG 102 11.406 1.187 -7.691 621 HG3 ARG 102 2HG ARG 102 8.985 -0.247 -6.565 622 HD3 ARG 102 2HD ARG 102 10.789 -0.690 -8.964 623 HE ARG 102 HE ARG 102 8.027 -1.642 -8.295 624 HH11 ARG 102 1HH1 ARG 102 10.862 -2.071 -10.435 625 HH12 ARG 102 2HH1 ARG 102 10.570 -3.746 -10.674 626 HH21 ARG 102 1HH2 ARG 102 7.526 -3.678 -8.791 627 HH22 ARG 102 2HH2 ARG 102 8.499 -4.645 -9.890 628 H ASN 103 H ASN 103 13.435 0.465 -4.460 629 HA ASN 103 HA ASN 103 15.069 2.596 -5.692 630 HB3 ASN 103 2HB ASN 103 14.732 3.204 -3.322 631 HD21 ASN 103 1HD2 ASN 103 15.331 2.800 -0.927 632 HD22 ASN 103 2HD2 ASN 103 15.296 1.106 -0.490 633 H GLU 104 H GLU 104 17.490 1.932 -5.368 634 HA GLU 104 HA GLU 104 17.843 -0.615 -6.695 635 HB3 GLU 104 2HB GLU 104 20.290 -0.132 -6.217 636 HG3 GLU 104 2HG GLU 104 18.884 2.196 -7.579 637 H LYS 105 H LYS 105 17.930 0.303 -3.302 638 HA LYS 105 HA LYS 105 19.456 -1.981 -2.327 639 HB3 LYS 105 2HB LYS 105 18.293 -1.282 -0.122 640 HG3 LYS 105 2HG LYS 105 19.479 1.186 -0.425 641 HD3 LYS 105 2HD LYS 105 21.711 -0.318 -0.056 642 HE3 LYS 105 2HE LYS 105 19.427 0.051 1.894 643 HZ1 LYS 105 3HZ LYS 105 20.922 -1.402 2.952 644 HZ2 LYS 105 1HZ LYS 105 21.399 0.088 3.468 645 HZ3 LYS 105 2HZ LYS 105 22.262 -0.673 2.315 646 H GLY 106 H GLY 106 16.211 -1.580 -3.452 647 HA2 GLY 106 1HA GLY 106 14.860 -3.381 -4.083 648 HA3 GLY 106 2HA GLY 106 15.696 -4.426 -2.920 649 H TYR 107 H TYR 107 13.049 -4.430 -3.009 650 HA TYR 107 HA TYR 107 11.677 -2.721 -1.186 651 HB3 TYR 107 2HB TYR 107 10.268 -5.153 -1.432 652 HD1 TYR 107 2HD TYR 107 11.019 -1.968 -3.460 653 HD2 TYR 107 1HD TYR 107 8.092 -4.804 -1.968 654 HE1 TYR 107 2HE TYR 107 9.161 -0.496 -4.225 655 HE2 TYR 107 1HE TYR 107 6.296 -3.245 -2.606 656 HH TYR 107 HH TYR 107 5.767 -1.144 -3.376 657 H GLY 108 H GLY 108 13.379 -2.777 0.436 658 HA2 GLY 108 1HA GLY 108 13.316 -4.844 2.493 659 HA3 GLY 108 2HA GLY 108 14.020 -3.226 2.614 660 HA PRO 109 HA PRO 109 10.508 -1.785 4.782 661 HB3 PRO 109 2HB PRO 109 11.117 0.408 4.539 662 HG3 PRO 109 2HG PRO 109 11.941 1.269 2.465 663 HD3 PRO 109 2HD PRO 109 13.198 -0.704 2.779 664 H ALA 110 H ALA 110 8.174 -1.389 4.853 665 HA ALA 110 HA ALA 110 6.499 -1.593 2.582 666 HB1 ALA 110 1HB ALA 110 6.313 -3.957 4.515 667 HB2 ALA 110 2HB ALA 110 5.242 -3.564 3.147 668 HB3 ALA 110 3HB ALA 110 6.927 -4.074 2.867 669 H THR 111 H THR 111 5.501 0.218 3.384 670 HA THR 111 HA THR 111 4.991 0.414 6.278 671 HB THR 111 HB THR 111 4.112 2.436 4.191 672 HG1 THR 111 1HG THR 111 6.049 3.485 5.009 673 HG21 THR 111 3HG2 THR 111 3.012 2.674 6.389 674 HG22 THR 111 1HG2 THR 111 4.277 3.912 6.258 675 HG23 THR 111 2HG2 THR 111 4.566 2.459 7.217 676 H GLN 112 H GLN 112 3.653 -1.194 6.790 677 HA GLN 112 HA GLN 112 1.231 -1.853 5.366 678 HB3 GLN 112 2HB GLN 112 2.287 -2.677 8.103 679 HG3 GLN 112 2HG GLN 112 0.383 -4.150 6.260 680 HE21 GLN 112 1HE2 GLN 112 2.112 -5.885 6.899 681 HE22 GLN 112 2HE2 GLN 112 1.711 -6.800 8.326 682 H VAL 113 H VAL 113 0.054 0.144 5.360 683 HA VAL 113 HA VAL 113 -0.835 1.246 7.969 684 HB VAL 113 HB VAL 113 -1.975 2.921 6.643 685 HG11 VAL 113 1HG1 VAL 113 0.784 2.569 5.414 686 HG12 VAL 113 2HG1 VAL 113 -0.117 4.078 5.607 687 HG13 VAL 113 3HG1 VAL 113 0.505 3.246 7.049 688 HG21 VAL 113 3HG2 VAL 113 -2.614 1.552 4.672 689 HG22 VAL 113 1HG2 VAL 113 -1.835 3.073 4.206 690 HG23 VAL 113 2HG2 VAL 113 -0.902 1.559 4.181 691 H ARG 114 H ARG 114 -3.327 1.528 8.083 692 HA ARG 114 HA ARG 114 -4.714 -0.760 6.847 693 HB3 ARG 114 2HB ARG 114 -4.069 -1.636 9.015 694 HG3 ARG 114 2HG ARG 114 -5.169 -0.656 11.072 695 HD3 ARG 114 2HD ARG 114 -2.729 0.828 10.077 696 HE ARG 114 HE ARG 114 -4.013 1.044 12.424 697 HH11 ARG 114 1HH1 ARG 114 -0.902 -0.737 11.980 698 HH12 ARG 114 2HH1 ARG 114 -0.786 -0.963 13.706 699 HH21 ARG 114 1HH2 ARG 114 -3.576 0.949 14.532 700 HH22 ARG 114 2HH2 ARG 114 -2.264 -0.018 15.153 701 H TRP 115 H TRP 115 -6.976 -0.431 6.561 702 HA TRP 115 HA TRP 115 -7.778 2.356 7.059 703 HB3 TRP 115 2HB TRP 115 -8.757 0.592 4.704 704 HD1 TRP 115 HD TRP 115 -7.997 4.214 5.930 705 HE1 TRP 115 1HE TRP 115 -9.448 5.878 4.710 706 HE3 TRP 115 3HE TRP 115 -10.287 1.009 2.739 707 HZ2 TRP 115 2HZ TRP 115 -11.002 5.927 2.257 708 HZ3 TRP 115 3HZ TRP 115 -11.618 1.963 0.746 709 HH2 TRP 115 HH TRP 115 -11.933 4.378 0.533 710 H LEU 116 H LEU 116 -8.949 2.427 8.705 711 HA LEU 116 HA LEU 116 -10.751 0.285 9.318 712 HB3 LEU 116 2HB LEU 116 -10.823 1.407 11.415 713 HG LEU 116 HG LEU 116 -8.651 1.561 12.055 714 HD11 LEU 116 1HD1 LEU 116 -7.430 -0.263 11.294 715 HD12 LEU 116 2HD1 LEU 116 -7.938 -0.016 9.623 716 HD13 LEU 116 3HD1 LEU 116 -9.068 -0.685 10.792 717 HD21 LEU 116 3HD2 LEU 116 -6.742 2.252 11.181 718 HD22 LEU 116 1HD2 LEU 116 -7.953 3.466 10.712 719 HD23 LEU 116 2HD2 LEU 116 -7.350 2.281 9.525 720 H GLN 117 H GLN 117 -11.295 2.362 7.034 721 HA GLN 117 HA GLN 117 -13.815 3.606 7.881 722 HB3 GLN 117 2HB GLN 117 -14.045 4.012 5.378 723 HG3 GLN 117 2HG GLN 117 -11.471 5.154 6.496 724 HE21 GLN 117 1HE2 GLN 117 -11.016 7.288 5.689 725 HE22 GLN 117 2HE2 GLN 117 -12.031 8.081 4.510 726 H GLU 118 H GLU 118 -12.965 0.334 7.338 727 HA GLU 118 HA GLU 118 -15.332 -0.355 5.753 728 HB3 GLU 118 2HB GLU 118 -14.460 -2.669 6.268 729 HG3 GLU 118 2HG GLU 118 -12.907 -0.537 4.890 730 H THR 119 H THR 119 -16.458 1.035 7.725 731 HA THR 119 HA THR 119 -18.080 -0.972 9.061 732 HB THR 119 HB THR 119 -17.913 0.638 11.206 733 HG1 THR 119 1HG THR 119 -16.104 1.808 10.060 734 HG21 THR 119 3HG2 THR 119 -16.487 -1.017 12.258 735 HG22 THR 119 1HG2 THR 119 -15.849 -1.538 10.706 736 HG23 THR 119 2HG2 THR 119 -17.566 -1.816 11.133 737 H SER 120 H SER 120 -20.124 -0.025 9.856 738 HA SER 120 HA SER 120 -21.263 1.830 8.096 739 HB3 SER 120 2HB SER 120 -23.174 1.663 9.569 740 HG SER 120 HG SER 120 -23.440 -0.414 9.406 741 H LYS 121 H LYS 121 -20.457 3.858 7.937 742 HA LYS 121 HA LYS 121 -20.792 5.696 10.203 743 HB3 LYS 121 2HB LYS 121 -18.199 5.725 8.592 744 HG3 LYS 121 2HG LYS 121 -18.845 6.895 11.344 745 HD3 LYS 121 2HD LYS 121 -16.396 7.316 9.562 746 HE3 LYS 121 2HE LYS 121 -15.305 8.041 11.660 747 HZ1 LYS 121 3HZ LYS 121 -16.101 10.168 11.658 748 HZ2 LYS 121 1HZ LYS 121 -17.687 9.762 11.471 749 HZ3 LYS 121 2HZ LYS 121 -16.665 9.659 10.218 750 H ASP 122 H ASP 122 -20.800 8.027 9.287 751 HA ASP 122 HA ASP 122 -20.890 8.433 6.451 752 HB3 ASP 122 2HB ASP 122 -23.456 8.930 8.008 753 H SER 123 H SER 123 -21.588 10.910 6.271 754 HA SER 123 HA SER 123 -21.190 13.074 6.769 755 HB3 SER 123 2HB SER 123 -22.496 13.735 8.760 756 HG SER 123 HG SER 123 -23.462 11.671 7.016 757 H SER 124 H SER 124 -18.839 11.761 7.050 758 HA SER 124 HA SER 124 -17.524 12.478 9.607 759 HB3 SER 124 2HB SER 124 -15.678 11.167 8.706 760 HG SER 124 HG SER 124 -17.943 9.767 7.772 761 H GLY 125 H GLY 125 -17.468 13.351 6.132 762 HA2 GLY 125 1HA GLY 125 -15.032 15.014 6.547 763 HA3 GLY 125 2HA GLY 125 -15.561 14.257 5.039 764 H THR 126 H THR 126 -15.127 16.476 4.292 765 HA THR 126 HA THR 126 -17.535 18.155 4.379 766 HB THR 126 HB THR 126 -14.674 19.211 4.460 767 HG1 THR 126 1HG THR 126 -15.658 19.950 6.628 768 HG21 THR 126 3HG2 THR 126 -17.343 20.626 4.817 769 HG22 THR 126 1HG2 THR 126 -16.388 20.660 3.318 770 HG23 THR 126 2HG2 THR 126 -15.737 21.378 4.787 Start of MODEL 13 1 H1 GLY 1 H GLY 1 24.004 -6.183 11.232 2 HA2 GLY 1 1HA GLY 1 21.960 -6.948 12.340 3 HA3 GLY 1 2HA GLY 1 22.188 -5.627 13.509 4 H CYS 2 H CYS 2 21.716 -3.496 12.897 5 HA CYS 2 HA CYS 2 21.000 -1.738 11.803 6 HB3 CYS 2 2HB CYS 2 21.284 -1.477 9.438 7 HG CYS 2 HG CYS 2 23.634 -2.736 8.794 8 H LEU 3 H LEU 3 19.131 -3.319 12.928 9 HA LEU 3 HA LEU 3 16.936 -3.613 13.187 10 HB3 LEU 3 2HB LEU 3 15.379 -2.379 11.399 11 HG LEU 3 HG LEU 3 16.084 -1.760 13.910 12 HD11 LEU 3 1HD1 LEU 3 18.185 -0.606 13.203 13 HD12 LEU 3 2HD1 LEU 3 17.067 0.500 14.013 14 HD13 LEU 3 3HD1 LEU 3 17.229 0.536 12.245 15 HD21 LEU 3 3HD2 LEU 3 14.687 0.177 12.039 16 HD22 LEU 3 1HD2 LEU 3 14.614 0.194 13.814 17 HD23 LEU 3 2HD2 LEU 3 13.950 -1.179 12.920 18 HA PRO 4 HA PRO 4 15.902 -7.104 10.974 19 HB3 PRO 4 2HB PRO 4 14.244 -7.554 12.496 20 HG3 PRO 4 2HG PRO 4 12.789 -5.851 13.277 21 HD3 PRO 4 2HD PRO 4 14.986 -5.026 13.591 22 H GLY 5 H GLY 5 13.471 -4.606 9.880 23 HA2 GLY 5 1HA GLY 5 13.702 -5.579 7.103 24 HA3 GLY 5 2HA GLY 5 12.610 -4.336 7.731 25 H PHE 6 H PHE 6 14.038 -3.886 5.420 26 HA PHE 6 HA PHE 6 16.476 -2.464 5.744 27 HB3 PHE 6 2HB PHE 6 15.288 -1.339 3.553 28 HD1 PHE 6 2HD PHE 6 16.607 -4.695 4.706 29 HD2 PHE 6 1HD PHE 6 16.273 -1.851 1.460 30 HE1 PHE 6 2HE PHE 6 18.301 -5.935 3.418 31 HE2 PHE 6 1HE PHE 6 17.900 -3.156 0.151 32 HZ PHE 6 HZ PHE 6 18.960 -5.186 1.148 33 HA PRO 7 HA PRO 7 15.111 1.320 7.534 34 HB3 PRO 7 2HB PRO 7 17.366 1.783 7.689 35 HG3 PRO 7 2HG PRO 7 18.878 1.426 5.882 36 HD3 PRO 7 2HD PRO 7 17.825 -0.660 6.225 37 H GLY 8 H GLY 8 14.399 3.609 7.058 38 HA2 GLY 8 1HA GLY 8 13.322 5.188 5.672 39 HA3 GLY 8 2HA GLY 8 13.521 4.132 4.282 40 H ALA 9 H ALA 9 11.899 3.094 3.746 41 HA ALA 9 HA ALA 9 9.862 2.183 3.414 42 HB1 ALA 9 1HB ALA 9 10.067 1.320 5.826 43 HB2 ALA 9 2HB ALA 9 9.030 2.690 6.273 44 HB3 ALA 9 3HB ALA 9 8.431 1.463 5.138 45 HA PRO 10 HA PRO 10 7.610 6.010 2.779 46 HB3 PRO 10 2HB PRO 10 6.331 5.061 1.124 47 HG3 PRO 10 2HG PRO 10 5.813 2.770 1.164 48 HD3 PRO 10 2HD PRO 10 8.075 2.661 1.697 49 H CYS 11 H CYS 11 6.501 7.408 4.056 50 HA CYS 11 HA CYS 11 5.064 6.564 6.460 51 HB3 CYS 11 2HB CYS 11 6.428 8.367 7.724 52 HG CYS 11 HG CYS 11 8.414 6.818 8.485 53 H ALA 12 H ALA 12 4.668 9.209 7.421 54 HA ALA 12 HA ALA 12 2.913 10.635 7.262 55 HB1 ALA 12 1HB ALA 12 4.810 11.921 6.317 56 HB2 ALA 12 2HB ALA 12 4.336 11.395 4.688 57 HB3 ALA 12 3HB ALA 12 3.260 12.425 5.651 58 H ILE 13 H ILE 13 2.145 8.053 6.311 59 HA ILE 13 HA ILE 13 0.853 8.324 3.797 60 HB ILE 13 HB ILE 13 0.547 6.179 5.910 61 HG13 ILE 13 2HG1 ILE 13 2.613 6.795 3.987 62 HG21 ILE 13 1HG2 ILE 13 -0.578 6.341 3.070 63 HG22 ILE 13 2HG2 ILE 13 -0.431 4.828 3.980 64 HG23 ILE 13 3HG2 ILE 13 -1.480 6.111 4.584 65 HD11 ILE 13 3HD1 ILE 13 3.674 4.804 4.740 66 HD12 ILE 13 1HD1 ILE 13 3.017 5.722 6.111 67 HD13 ILE 13 2HD1 ILE 13 2.187 4.247 5.543 68 H LYS 14 H LYS 14 -1.141 8.985 3.305 69 HA LYS 14 HA LYS 14 -3.157 9.497 5.431 70 HB3 LYS 14 2HB LYS 14 -3.736 11.598 4.052 71 HG3 LYS 14 2HG LYS 14 -1.547 12.838 4.932 72 HD3 LYS 14 2HD LYS 14 -3.608 11.499 6.731 73 HE3 LYS 14 2HE LYS 14 -1.750 12.334 8.093 74 HZ1 LYS 14 3HZ LYS 14 -1.894 14.632 6.349 75 HZ2 LYS 14 1HZ LYS 14 -0.695 14.134 7.379 76 HZ3 LYS 14 2HZ LYS 14 -1.935 15.005 7.964 77 H ILE 15 H ILE 15 -5.327 9.355 4.632 78 HA ILE 15 HA ILE 15 -5.734 8.216 1.921 79 HB ILE 15 HB ILE 15 -6.754 6.938 4.534 80 HG13 ILE 15 2HG1 ILE 15 -4.336 6.681 4.426 81 HG21 ILE 15 1HG2 ILE 15 -8.231 6.592 2.648 82 HG22 ILE 15 2HG2 ILE 15 -6.908 6.117 1.598 83 HG23 ILE 15 3HG2 ILE 15 -7.388 5.071 2.934 84 HD11 ILE 15 3HD1 ILE 15 -5.657 4.824 5.393 85 HD12 ILE 15 1HD1 ILE 15 -5.638 4.014 3.806 86 HD13 ILE 15 2HD1 ILE 15 -4.123 4.310 4.670 87 H SER 16 H SER 16 -6.802 9.943 1.374 88 HA SER 16 HA SER 16 -8.953 11.125 3.090 89 HB3 SER 16 2HB SER 16 -9.049 12.963 1.528 90 HG SER 16 HG SER 16 -6.386 12.983 1.397 91 H LYS 17 H LYS 17 -10.861 10.043 2.954 92 HA LYS 17 HA LYS 17 -11.472 8.292 0.718 93 HB3 LYS 17 2HB LYS 17 -13.348 9.174 2.939 94 HG3 LYS 17 2HG LYS 17 -13.698 6.495 2.731 95 HD3 LYS 17 2HD LYS 17 -15.018 8.807 1.454 96 HE3 LYS 17 2HE LYS 17 -14.655 6.997 -0.394 97 HZ1 LYS 17 3HZ LYS 17 -17.127 5.936 0.804 98 HZ2 LYS 17 1HZ LYS 17 -15.682 5.174 1.033 99 HZ3 LYS 17 2HZ LYS 17 -16.261 5.379 -0.473 100 H SER 18 H SER 18 -12.962 8.661 -1.012 101 HA SER 18 HA SER 18 -14.447 11.207 -1.063 102 HB3 SER 18 2HB SER 18 -12.213 11.689 -1.860 103 HG SER 18 HG SER 18 -11.549 10.727 -3.806 104 HA PRO 19 HA PRO 19 -17.379 8.876 -3.581 105 HB3 PRO 19 2HB PRO 19 -18.506 10.670 -4.339 106 HG3 PRO 19 2HG PRO 19 -17.442 12.780 -4.548 107 HD3 PRO 19 2HD PRO 19 -16.891 11.917 -2.407 108 H ASP 20 H ASP 20 -14.627 10.291 -5.485 109 HA ASP 20 HA ASP 20 -14.461 8.393 -7.474 110 HB3 ASP 20 2HB ASP 20 -12.038 9.008 -7.625 111 H GLY 21 H GLY 21 -13.390 8.070 -4.111 112 HA2 GLY 21 1HA GLY 21 -13.401 5.440 -3.754 113 HA3 GLY 21 2HA GLY 21 -11.884 5.605 -4.634 114 H ALA 22 H ALA 22 -10.096 6.217 -3.525 115 HA ALA 22 HA ALA 22 -10.285 7.923 -1.148 116 HB1 ALA 22 1HB ALA 22 -9.002 6.404 0.288 117 HB2 ALA 22 2HB ALA 22 -10.530 5.627 -0.190 118 HB3 ALA 22 3HB ALA 22 -9.014 5.164 -0.988 119 H HIS 23 H HIS 23 -8.734 9.390 -1.506 120 HA HIS 23 HA HIS 23 -6.474 9.146 -3.353 121 HB3 HIS 23 2HB HIS 23 -5.873 11.138 -1.540 122 HD1 HIS 23 1HD HIS 23 -8.510 10.676 -4.400 123 HD2 HIS 23 2HD HIS 23 -5.350 13.176 -3.141 124 HE1 HIS 23 1HE HIS 23 -8.029 12.252 -6.328 125 H LEU 24 H LEU 24 -4.422 8.384 -2.801 126 HA LEU 24 HA LEU 24 -3.851 8.102 0.102 127 HB3 LEU 24 2HB LEU 24 -2.478 6.311 -0.320 128 HG LEU 24 HG LEU 24 -4.831 5.662 -2.155 129 HD11 LEU 24 1HD1 LEU 24 -3.057 4.004 -0.324 130 HD12 LEU 24 2HD1 LEU 24 -2.958 4.000 -2.112 131 HD13 LEU 24 3HD1 LEU 24 -4.404 3.368 -1.275 132 HD21 LEU 24 3HD2 LEU 24 -4.670 5.394 0.829 133 HD22 LEU 24 1HD2 LEU 24 -5.948 4.740 -0.219 134 HD23 LEU 24 2HD2 LEU 24 -5.726 6.480 -0.108 135 H THR 25 H THR 25 -1.846 8.950 0.802 136 HA THR 25 HA THR 25 0.068 9.825 -1.251 137 HB THR 25 HB THR 25 0.442 12.010 -0.264 138 HG1 THR 25 1HG THR 25 -0.586 11.052 1.831 139 HG21 THR 25 3HG2 THR 25 -2.580 11.820 -0.582 140 HG22 THR 25 1HG2 THR 25 -1.447 11.968 -1.948 141 HG23 THR 25 2HG2 THR 25 -1.568 13.265 -0.750 142 H TRP 26 H TRP 26 2.282 10.125 -0.238 143 HA TRP 26 HA TRP 26 2.701 9.438 2.518 144 HB3 TRP 26 2HB TRP 26 2.548 7.213 1.906 145 HD1 TRP 26 HD TRP 26 5.022 7.862 -0.997 146 HE1 TRP 26 1HE TRP 26 4.107 6.613 -3.058 147 HE3 TRP 26 3HE TRP 26 0.612 6.227 0.966 148 HZ2 TRP 26 2HZ TRP 26 1.684 5.139 -3.761 149 HZ3 TRP 26 3HZ TRP 26 -0.951 4.875 -0.386 150 HH2 TRP 26 HH TRP 26 -0.502 4.477 -2.789 151 H GLU 27 H GLU 27 5.182 9.293 2.786 152 HA GLU 27 HA GLU 27 6.513 11.287 1.009 153 HB3 GLU 27 2HB GLU 27 6.286 11.703 3.496 154 HG3 GLU 27 2HG GLU 27 8.604 9.774 3.783 155 HA PRO 28 HA PRO 28 9.244 8.025 -0.392 156 HB3 PRO 28 2HB PRO 28 10.192 9.559 -1.842 157 HG3 PRO 28 2HG PRO 28 10.732 11.773 -1.114 158 HD3 PRO 28 2HD PRO 28 8.437 11.493 -0.622 159 HA PRO 29 HA PRO 29 11.576 6.702 3.237 160 HB3 PRO 29 2HB PRO 29 11.217 4.568 2.361 161 HG3 PRO 29 2HG PRO 29 11.552 4.048 0.091 162 HD3 PRO 29 2HD PRO 29 9.914 5.749 0.258 163 H SER 30 H SER 30 13.463 7.232 4.183 164 HA SER 30 HA SER 30 15.575 7.783 4.612 165 HB3 SER 30 2HB SER 30 16.026 8.812 1.805 166 HG SER 30 HG SER 30 17.800 9.409 2.741 167 H VAL 31 H VAL 31 15.724 9.617 5.615 168 HA VAL 31 HA VAL 31 13.867 11.723 5.264 169 HB VAL 31 HB VAL 31 16.521 11.833 6.761 170 HG11 VAL 31 1HG1 VAL 31 13.799 12.969 7.522 171 HG12 VAL 31 2HG1 VAL 31 15.391 13.284 8.281 172 HG13 VAL 31 3HG1 VAL 31 15.040 13.915 6.662 173 HG21 VAL 31 3HG2 VAL 31 13.941 10.492 7.684 174 HG22 VAL 31 1HG2 VAL 31 15.537 9.730 7.530 175 HG23 VAL 31 2HG2 VAL 31 15.262 10.944 8.765 176 H THR 32 H THR 32 17.067 10.999 3.947 177 HA THR 32 HA THR 32 17.400 13.664 2.719 178 HB THR 32 HB THR 32 19.488 12.625 1.848 179 HG1 THR 32 1HG THR 32 19.534 10.545 1.868 180 HG21 THR 32 3HG2 THR 32 20.679 12.545 3.968 181 HG22 THR 32 1HG2 THR 32 19.158 12.384 4.867 182 HG23 THR 32 2HG2 THR 32 19.513 13.873 3.966 183 H SER 33 H SER 33 18.099 13.431 0.244 184 HA SER 33 HA SER 33 15.845 13.296 -1.164 185 HB3 SER 33 2HB SER 33 17.683 14.384 -2.091 186 HG SER 33 HG SER 33 19.147 11.981 -2.418 187 H GLY 34 H GLY 34 18.147 10.453 -1.126 188 HA2 GLY 34 1HA GLY 34 17.722 8.263 -1.610 189 HA3 GLY 34 2HA GLY 34 15.975 8.612 -1.706 190 H LYS 35 H LYS 35 16.445 7.128 -3.652 191 HA LYS 35 HA LYS 35 16.763 8.743 -6.071 192 HB3 LYS 35 2HB LYS 35 17.910 5.948 -5.924 193 HG3 LYS 35 2HG LYS 35 18.851 8.605 -7.050 194 HD3 LYS 35 2HD LYS 35 19.758 5.743 -7.443 195 HE3 LYS 35 2HE LYS 35 20.810 8.284 -8.760 196 HZ1 LYS 35 3HZ LYS 35 22.317 6.667 -9.846 197 HZ2 LYS 35 1HZ LYS 35 21.761 5.484 -8.849 198 HZ3 LYS 35 2HZ LYS 35 22.605 6.761 -8.237 199 H ILE 36 H ILE 36 14.347 8.442 -5.320 200 HA ILE 36 HA ILE 36 13.141 5.854 -5.968 201 HB ILE 36 HB ILE 36 12.061 8.527 -5.087 202 HG13 ILE 36 2HG1 ILE 36 11.847 5.681 -3.980 203 HG21 ILE 36 1HG2 ILE 36 9.771 7.638 -5.146 204 HG22 ILE 36 2HG2 ILE 36 10.433 7.771 -6.765 205 HG23 ILE 36 3HG2 ILE 36 10.350 6.180 -5.973 206 HD11 ILE 36 3HD1 ILE 36 13.261 8.075 -2.716 207 HD12 ILE 36 1HD1 ILE 36 12.960 6.505 -1.960 208 HD13 ILE 36 2HD1 ILE 36 14.053 6.605 -3.333 209 H ILE 37 H ILE 37 12.063 5.308 -7.721 210 HA ILE 37 HA ILE 37 12.289 6.964 -10.176 211 HB ILE 37 HB ILE 37 12.975 4.802 -11.292 212 HG13 ILE 37 2HG1 ILE 37 12.365 3.322 -9.309 213 HG21 ILE 37 1HG2 ILE 37 14.996 5.889 -9.267 214 HG22 ILE 37 2HG2 ILE 37 15.337 5.128 -10.834 215 HG23 ILE 37 3HG2 ILE 37 14.524 6.688 -10.790 216 HD11 ILE 37 3HD1 ILE 37 14.238 1.727 -9.544 217 HD12 ILE 37 1HD1 ILE 37 13.650 2.309 -11.126 218 HD13 ILE 37 2HD1 ILE 37 15.168 2.930 -10.428 219 H GLU 38 H GLU 38 10.364 4.874 -8.199 220 HA GLU 38 HA GLU 38 8.005 5.426 -9.649 221 HB3 GLU 38 2HB GLU 38 8.157 2.465 -9.638 222 HG3 GLU 38 2HG GLU 38 7.666 4.511 -11.845 223 H TYR 39 H TYR 39 6.300 3.458 -8.476 224 HA TYR 39 HA TYR 39 7.166 2.951 -5.724 225 HB3 TYR 39 2HB TYR 39 4.485 3.958 -5.573 226 HD1 TYR 39 2HD TYR 39 5.108 3.303 -3.307 227 HD2 TYR 39 1HD TYR 39 7.286 6.379 -5.351 228 HE1 TYR 39 2HE TYR 39 5.932 4.158 -1.101 229 HE2 TYR 39 1HE TYR 39 8.216 7.182 -3.179 230 HH TYR 39 HH TYR 39 7.201 6.900 -0.338 231 H SER 40 H SER 40 5.215 1.645 -4.605 232 HA SER 40 HA SER 40 3.511 0.325 -6.563 233 HB3 SER 40 2HB SER 40 5.038 -1.296 -4.487 234 HG SER 40 HG SER 40 4.124 -2.968 -5.597 235 H VAL 41 H VAL 41 1.732 -0.695 -5.631 236 HA VAL 41 HA VAL 41 0.931 -0.236 -2.867 237 HB VAL 41 HB VAL 41 -0.748 0.812 -5.192 238 HG11 VAL 41 1HG1 VAL 41 -2.074 0.085 -3.252 239 HG12 VAL 41 2HG1 VAL 41 -1.137 1.203 -2.211 240 HG13 VAL 41 3HG1 VAL 41 -2.167 1.821 -3.508 241 HG21 VAL 41 3HG2 VAL 41 0.823 2.467 -3.199 242 HG22 VAL 41 1HG2 VAL 41 1.186 2.324 -4.919 243 HG23 VAL 41 2HG2 VAL 41 -0.316 3.075 -4.438 244 H TYR 42 H TYR 42 0.935 -2.522 -2.681 245 HA TYR 42 HA TYR 42 -0.699 -4.086 -4.632 246 HB3 TYR 42 2HB TYR 42 0.253 -6.045 -3.684 247 HD1 TYR 42 2HD TYR 42 1.189 -5.459 -6.063 248 HD2 TYR 42 1HD TYR 42 3.173 -4.454 -2.365 249 HE1 TYR 42 2HE TYR 42 3.358 -5.444 -7.235 250 HE2 TYR 42 1HE TYR 42 5.351 -4.462 -3.521 251 HH TYR 42 HH TYR 42 6.407 -5.329 -5.518 252 H LEU 43 H LEU 43 -2.767 -4.864 -3.974 253 HA LEU 43 HA LEU 43 -3.664 -4.123 -1.206 254 HB3 LEU 43 2HB LEU 43 -5.347 -3.726 -3.682 255 HG LEU 43 HG LEU 43 -5.316 -2.047 -1.165 256 HD11 LEU 43 1HD1 LEU 43 -6.270 -1.119 -3.306 257 HD12 LEU 43 2HD1 LEU 43 -7.515 -1.310 -2.044 258 HD13 LEU 43 3HD1 LEU 43 -7.377 -2.509 -3.342 259 HD21 LEU 43 3HD2 LEU 43 -6.084 -4.146 -0.323 260 HD22 LEU 43 1HD2 LEU 43 -7.118 -4.429 -1.757 261 HD23 LEU 43 2HD2 LEU 43 -7.506 -3.149 -0.600 262 H ALA 44 H ALA 44 -4.690 -5.874 -0.192 263 HA ALA 44 HA ALA 44 -4.832 -8.367 -1.599 264 HB1 ALA 44 1HB ALA 44 -6.116 -7.693 1.068 265 HB2 ALA 44 2HB ALA 44 -5.630 -9.274 0.463 266 HB3 ALA 44 3HB ALA 44 -4.388 -8.078 0.887 267 H ILE 45 H ILE 45 -6.463 -9.304 -2.635 268 HA ILE 45 HA ILE 45 -9.229 -8.600 -2.123 269 HB ILE 45 HB ILE 45 -9.882 -8.591 -4.449 270 HG13 ILE 45 2HG1 ILE 45 -8.120 -10.145 -5.293 271 HG21 ILE 45 1HG2 ILE 45 -7.581 -6.620 -4.188 272 HG22 ILE 45 2HG2 ILE 45 -9.088 -6.443 -5.126 273 HG23 ILE 45 3HG2 ILE 45 -9.141 -6.446 -3.373 274 HD11 ILE 45 3HD1 ILE 45 -7.850 -9.198 -7.503 275 HD12 ILE 45 1HD1 ILE 45 -9.493 -8.883 -6.905 276 HD13 ILE 45 2HD1 ILE 45 -8.282 -7.585 -6.917 277 H GLN 46 H GLN 46 -10.563 -10.553 -3.126 278 HA GLN 46 HA GLN 46 -9.120 -13.045 -2.463 279 HB3 GLN 46 2HB GLN 46 -11.323 -14.096 -2.795 280 HG3 GLN 46 2HG GLN 46 -11.646 -11.672 -1.000 281 HE21 GLN 46 1HE2 GLN 46 -11.075 -15.068 -0.161 282 HE22 GLN 46 2HE2 GLN 46 -12.665 -15.359 0.515 283 H SER 47 H SER 47 -7.581 -13.175 -4.033 284 HA SER 47 HA SER 47 -8.290 -14.332 -6.541 285 HB3 SER 47 2HB SER 47 -6.797 -11.668 -6.638 286 HG SER 47 HG SER 47 -8.364 -12.336 -8.722 287 H SER 48 H SER 48 -5.923 -14.372 -7.771 288 HA SER 48 HA SER 48 -3.741 -13.727 -6.102 289 HB3 SER 48 2HB SER 48 -3.644 -16.580 -7.168 290 HG SER 48 HG SER 48 -1.713 -16.484 -5.811 291 H GLN 49 H GLN 49 -1.682 -13.889 -7.505 292 HA GLN 49 HA GLN 49 -2.175 -13.718 -10.368 293 HB3 GLN 49 2HB GLN 49 -0.841 -11.258 -9.292 294 HG3 GLN 49 2HG GLN 49 -2.967 -11.830 -11.391 295 HE21 GLN 49 1HE2 GLN 49 -4.152 -9.952 -10.081 296 HE22 GLN 49 2HE2 GLN 49 -3.810 -8.387 -10.815 297 H ALA 50 H ALA 50 -0.112 -13.431 -11.569 298 HA ALA 50 HA ALA 50 2.002 -15.023 -10.409 299 HB1 ALA 50 1HB ALA 50 1.325 -15.196 -12.775 300 HB2 ALA 50 2HB ALA 50 1.851 -13.526 -13.055 301 HB3 ALA 50 3HB ALA 50 3.041 -14.759 -12.612 302 H SER 51 H SER 51 2.568 -13.658 -8.570 303 HA SER 51 HA SER 51 4.916 -12.141 -9.190 304 HB3 SER 51 2HB SER 51 3.059 -10.597 -7.385 305 HG SER 51 HG SER 51 4.870 -9.552 -7.724 306 H GLY 52 H GLY 52 6.303 -12.918 -7.641 307 HA2 GLY 52 1HA GLY 52 5.233 -14.228 -5.181 308 HA3 GLY 52 2HA GLY 52 6.888 -14.348 -5.810 309 H GLU 53 H GLU 53 8.237 -13.305 -4.356 310 HA GLU 53 HA GLU 53 7.790 -10.452 -3.985 311 HB3 GLU 53 2HB GLU 53 9.041 -11.033 -1.603 312 HG3 GLU 53 2HG GLU 53 6.014 -11.248 -1.724 313 HA PRO 54 HA PRO 54 12.066 -10.101 -5.180 314 HB3 PRO 54 2HB PRO 54 11.865 -7.826 -4.681 315 HG3 PRO 54 2HG PRO 54 10.744 -7.091 -2.679 316 HD3 PRO 54 2HD PRO 54 9.250 -8.376 -3.947 317 H LYS 55 H LYS 55 14.353 -9.834 -3.632 318 HA LYS 55 HA LYS 55 15.813 -10.768 -2.153 319 HB3 LYS 55 2HB LYS 55 13.387 -11.581 -0.536 320 HG3 LYS 55 2HG LYS 55 15.728 -10.073 0.579 321 HD3 LYS 55 2HD LYS 55 14.162 -12.450 1.665 322 HE3 LYS 55 2HE LYS 55 15.414 -10.064 3.045 323 HZ1 LYS 55 3HZ LYS 55 14.708 -12.715 4.113 324 HZ2 LYS 55 1HZ LYS 55 13.748 -11.408 4.272 325 HZ3 LYS 55 2HZ LYS 55 15.269 -11.431 4.952 326 H SER 56 H SER 56 15.311 -12.430 -4.311 327 HA SER 56 HA SER 56 15.598 -14.515 -5.088 328 HB3 SER 56 2HB SER 56 16.740 -16.200 -3.794 329 HG SER 56 HG SER 56 18.284 -14.833 -4.254 330 H SER 57 H SER 57 13.102 -13.667 -4.557 331 HA SER 57 HA SER 57 11.029 -14.205 -4.530 332 HB3 SER 57 2HB SER 57 11.167 -17.065 -4.007 333 HG SER 57 HG SER 57 9.575 -16.891 -5.364 334 H THR 58 H THR 58 12.853 -15.610 -1.956 335 HA THR 58 HA THR 58 12.636 -16.225 0.105 336 HB THR 58 HB THR 58 12.810 -13.853 0.378 337 HG1 THR 58 1HG THR 58 12.477 -15.151 2.293 338 HG21 THR 58 3HG2 THR 58 10.857 -12.912 -0.676 339 HG22 THR 58 1HG2 THR 58 10.854 -12.428 1.010 340 HG23 THR 58 2HG2 THR 58 9.775 -13.735 0.469 341 HA PRO 59 HA PRO 59 8.712 -18.412 0.795 342 HB3 PRO 59 2HB PRO 59 9.836 -19.897 2.187 343 HG3 PRO 59 2HG PRO 59 11.506 -19.128 3.736 344 HD3 PRO 59 2HD PRO 59 12.120 -18.455 1.540 345 H ALA 60 H ALA 60 6.710 -18.228 2.102 346 HA ALA 60 HA ALA 60 4.994 -17.189 3.046 347 HB1 ALA 60 1HB ALA 60 5.327 -15.969 5.118 348 HB2 ALA 60 2HB ALA 60 6.337 -17.426 5.052 349 HB3 ALA 60 3HB ALA 60 7.067 -15.820 4.771 350 H GLN 61 H GLN 61 5.799 -16.180 0.665 351 HA GLN 61 HA GLN 61 5.777 -13.284 0.551 352 HB3 GLN 61 2HB GLN 61 5.823 -13.557 -1.750 353 HG3 GLN 61 2HG GLN 61 7.602 -15.122 -0.536 354 HE21 GLN 61 1HE2 GLN 61 8.395 -17.197 -2.283 355 HE22 GLN 61 2HE2 GLN 61 7.378 -18.623 -2.157 356 H LEU 62 H LEU 62 3.905 -12.199 -0.608 357 HA LEU 62 HA LEU 62 1.277 -13.380 0.178 358 HB3 LEU 62 2HB LEU 62 0.433 -11.348 0.746 359 HG LEU 62 HG LEU 62 3.366 -10.631 1.199 360 HD11 LEU 62 1HD1 LEU 62 1.839 -8.729 1.331 361 HD12 LEU 62 2HD1 LEU 62 2.547 -9.130 2.910 362 HD13 LEU 62 3HD1 LEU 62 0.869 -9.581 2.563 363 HD21 LEU 62 3HD2 LEU 62 1.407 -12.062 3.051 364 HD22 LEU 62 1HD2 LEU 62 2.972 -11.374 3.539 365 HD23 LEU 62 2HD2 LEU 62 2.936 -12.705 2.409 366 H ALA 63 H ALA 63 -0.474 -12.720 -1.444 367 HA ALA 63 HA ALA 63 0.580 -11.921 -4.074 368 HB1 ALA 63 1HB ALA 63 -0.686 -13.775 -5.171 369 HB2 ALA 63 2HB ALA 63 0.668 -14.362 -4.187 370 HB3 ALA 63 3HB ALA 63 -0.995 -14.493 -3.574 371 H PHE 64 H PHE 64 -0.607 -10.247 -4.676 372 HA PHE 64 HA PHE 64 -3.409 -9.901 -3.714 373 HB3 PHE 64 2HB PHE 64 -2.620 -7.512 -3.190 374 HD1 PHE 64 2HD PHE 64 -3.338 -10.346 -1.636 375 HD2 PHE 64 1HD PHE 64 -0.425 -7.162 -1.256 376 HE1 PHE 64 2HE PHE 64 -3.045 -10.901 0.725 377 HE2 PHE 64 1HE PHE 64 -0.255 -7.683 1.187 378 HZ PHE 64 HZ PHE 64 -1.472 -9.589 2.126 379 H MET 65 H MET 65 -4.116 -7.525 -4.727 380 HA MET 65 HA MET 65 -3.699 -7.757 -7.647 381 HB3 MET 65 2HB MET 65 -5.970 -7.194 -6.330 382 HG3 MET 65 2HG MET 65 -4.957 -4.428 -7.021 383 HE1 MET 65 3HE MET 65 -7.161 -3.913 -8.467 384 HE2 MET 65 1HE MET 65 -7.767 -5.571 -8.219 385 HE3 MET 65 2HE MET 65 -8.802 -4.182 -7.845 386 H ARG 66 H ARG 66 -3.132 -5.605 -8.717 387 HA ARG 66 HA ARG 66 -1.172 -4.021 -7.099 388 HB3 ARG 66 2HB ARG 66 -0.858 -4.969 -9.982 389 HG3 ARG 66 2HG ARG 66 1.181 -3.746 -8.078 390 HD3 ARG 66 2HD ARG 66 1.395 -4.001 -11.091 391 HE ARG 66 HE ARG 66 3.103 -2.816 -9.569 392 HH11 ARG 66 1HH1 ARG 66 3.361 -6.298 -10.297 393 HH12 ARG 66 2HH1 ARG 66 5.036 -6.392 -9.887 394 HH21 ARG 66 1HH2 ARG 66 5.377 -2.902 -9.219 395 HH22 ARG 66 2HH2 ARG 66 6.189 -4.433 -9.290 396 H VAL 67 H VAL 67 -2.977 -2.485 -6.781 397 HA VAL 67 HA VAL 67 -4.475 -1.499 -9.012 398 HB VAL 67 HB VAL 67 -5.086 0.391 -7.536 399 HG11 VAL 67 1HG1 VAL 67 -5.268 -2.299 -6.123 400 HG12 VAL 67 2HG1 VAL 67 -6.381 -0.936 -5.980 401 HG13 VAL 67 3HG1 VAL 67 -6.285 -1.806 -7.503 402 HG21 VAL 67 3HG2 VAL 67 -3.050 0.691 -6.179 403 HG22 VAL 67 1HG2 VAL 67 -4.446 0.364 -5.150 404 HG23 VAL 67 2HG2 VAL 67 -3.272 -0.923 -5.452 405 H TYR 68 H TYR 68 -1.384 -0.533 -7.608 406 HA TYR 68 HA TYR 68 -1.079 1.989 -8.606 407 HB3 TYR 68 2HB TYR 68 1.154 -0.033 -8.306 408 HD1 TYR 68 1HD TYR 68 0.515 3.352 -6.885 409 HD2 TYR 68 2HD TYR 68 2.764 1.109 -9.811 410 HE1 TYR 68 1HE TYR 68 1.998 5.262 -7.202 411 HE2 TYR 68 2HE TYR 68 4.240 3.058 -10.170 412 HH TYR 68 HH TYR 68 4.478 5.580 -9.644 413 H CYS 69 H CYS 69 -1.452 2.620 -10.624 414 HA CYS 69 HA CYS 69 0.683 1.931 -12.488 415 HB3 CYS 69 2HB CYS 69 -1.034 0.365 -13.241 416 HG CYS 69 HG CYS 69 -3.017 1.450 -11.877 417 H GLY 70 H GLY 70 0.003 4.206 -10.824 418 HA2 GLY 70 1HA GLY 70 -1.037 6.258 -12.720 419 HA3 GLY 70 2HA GLY 70 -0.797 6.489 -10.991 420 HA PRO 71 HA PRO 71 3.002 8.102 -13.266 421 HB3 PRO 71 2HB PRO 71 1.986 9.481 -14.823 422 HG3 PRO 71 2HG PRO 71 -0.150 10.439 -14.427 423 HD3 PRO 71 2HD PRO 71 -0.500 8.164 -14.063 424 H SER 72 H SER 72 0.932 10.103 -11.001 425 HA SER 72 HA SER 72 3.198 10.848 -9.370 426 HB3 SER 72 2HB SER 72 1.556 12.405 -9.020 427 HG SER 72 HG SER 72 -0.766 11.767 -8.948 428 HA PRO 73 HA PRO 73 3.209 6.973 -7.116 429 HB3 PRO 73 2HB PRO 73 5.317 7.538 -6.369 430 HG3 PRO 73 2HG PRO 73 5.853 9.781 -5.751 431 HD3 PRO 73 2HD PRO 73 5.027 9.813 -7.985 432 H SER 74 H SER 74 2.315 9.923 -5.315 433 HA SER 74 HA SER 74 0.338 8.835 -3.574 434 HB3 SER 74 2HB SER 74 1.331 10.764 -2.803 435 HG SER 74 HG SER 74 1.828 12.566 -4.111 436 H CYS 75 H CYS 75 -0.676 7.543 -5.183 437 HA CYS 75 HA CYS 75 -2.336 8.810 -7.262 438 HB3 CYS 75 2HB CYS 75 -2.056 5.845 -6.595 439 HG CYS 75 HG CYS 75 -2.330 7.583 -9.404 440 H LEU 76 H LEU 76 -4.550 7.171 -7.353 441 HA LEU 76 HA LEU 76 -5.738 7.162 -4.637 442 HB3 LEU 76 2HB LEU 76 -6.592 9.116 -5.807 443 HG LEU 76 HG LEU 76 -6.691 7.891 -8.192 444 HD11 LEU 76 1HD1 LEU 76 -9.485 7.382 -7.049 445 HD12 LEU 76 2HD1 LEU 76 -8.339 6.138 -7.598 446 HD13 LEU 76 3HD1 LEU 76 -9.029 7.262 -8.762 447 HD21 LEU 76 3HD2 LEU 76 -8.790 9.852 -7.178 448 HD22 LEU 76 1HD2 LEU 76 -8.368 9.585 -8.878 449 HD23 LEU 76 2HD2 LEU 76 -7.166 10.262 -7.780 450 H VAL 77 H VAL 77 -7.477 5.643 -4.410 451 HA VAL 77 HA VAL 77 -7.184 3.272 -6.196 452 HB VAL 77 HB VAL 77 -7.675 3.359 -3.193 453 HG11 VAL 77 1HG1 VAL 77 -8.716 1.429 -4.450 454 HG12 VAL 77 2HG1 VAL 77 -7.106 0.981 -5.016 455 HG13 VAL 77 3HG1 VAL 77 -7.486 0.949 -3.272 456 HG21 VAL 77 3HG2 VAL 77 -5.190 2.601 -4.802 457 HG22 VAL 77 1HG2 VAL 77 -5.339 3.925 -3.636 458 HG23 VAL 77 2HG2 VAL 77 -5.416 2.250 -3.072 459 H GLN 78 H GLN 78 -8.953 2.999 -7.319 460 HA GLN 78 HA GLN 78 -11.153 4.791 -7.066 461 HB3 GLN 78 2HB GLN 78 -12.034 3.422 -9.014 462 HG3 GLN 78 2HG GLN 78 -9.116 4.313 -9.126 463 HE21 GLN 78 1HE2 GLN 78 -8.895 2.123 -10.316 464 HE22 GLN 78 2HE2 GLN 78 -9.398 2.054 -11.982 465 H SER 79 H SER 79 -13.357 4.372 -6.690 466 HA SER 79 HA SER 79 -14.188 2.691 -4.640 467 HB3 SER 79 2HB SER 79 -15.516 4.553 -5.217 468 HG SER 79 HG SER 79 -16.587 4.284 -7.474 469 H SER 80 H SER 80 -14.395 2.120 -8.168 470 HA SER 80 HA SER 80 -15.609 -0.349 -8.293 471 HB3 SER 80 2HB SER 80 -13.226 0.687 -9.907 472 HG SER 80 HG SER 80 -13.701 -0.844 -11.346 473 H SER 81 H SER 81 -12.021 0.101 -8.178 474 HA SER 81 HA SER 81 -11.437 -2.637 -7.864 475 HB3 SER 81 2HB SER 81 -9.187 -1.849 -7.428 476 HG SER 81 HG SER 81 -10.398 -1.303 -9.549 477 H LEU 82 H LEU 82 -12.170 -0.121 -5.430 478 HA LEU 82 HA LEU 82 -11.297 -1.641 -3.156 479 HB3 LEU 82 2HB LEU 82 -12.938 -0.043 -1.925 480 HG LEU 82 HG LEU 82 -10.665 0.977 -3.651 481 HD11 LEU 82 1HD1 LEU 82 -12.210 2.853 -3.259 482 HD12 LEU 82 2HD1 LEU 82 -10.707 3.065 -2.352 483 HD13 LEU 82 3HD1 LEU 82 -12.180 2.504 -1.511 484 HD21 LEU 82 3HD2 LEU 82 -9.435 1.078 -1.542 485 HD22 LEU 82 1HD2 LEU 82 -10.098 -0.549 -1.723 486 HD23 LEU 82 2HD2 LEU 82 -10.886 0.608 -0.632 487 H SER 83 H SER 83 -14.236 -1.860 -5.118 488 HA SER 83 HA SER 83 -16.015 -3.015 -3.284 489 HB3 SER 83 2HB SER 83 -15.635 -3.696 -6.229 490 HG SER 83 HG SER 83 -18.009 -3.633 -4.665 491 H ASN 84 H ASN 84 -13.056 -4.368 -4.563 492 HA ASN 84 HA ASN 84 -13.908 -7.155 -3.909 493 HB3 ASN 84 2HB ASN 84 -11.919 -7.836 -5.210 494 HD21 ASN 84 1HD2 ASN 84 -13.481 -5.007 -6.753 495 HD22 ASN 84 2HD2 ASN 84 -14.439 -5.958 -7.873 496 H ALA 85 H ALA 85 -12.566 -4.663 -2.236 497 HA ALA 85 HA ALA 85 -9.966 -5.663 -1.541 498 HB1 ALA 85 1HB ALA 85 -10.018 -3.923 0.184 499 HB2 ALA 85 2HB ALA 85 -10.570 -3.271 -1.372 500 HB3 ALA 85 3HB ALA 85 -11.754 -3.660 -0.100 501 H HIS 86 H HIS 86 -9.451 -7.244 -0.241 502 HA HIS 86 HA HIS 86 -11.500 -8.560 1.411 503 HB3 HIS 86 2HB HIS 86 -8.577 -9.354 1.130 504 HD1 HIS 86 1HD HIS 86 -8.235 -11.840 2.014 505 HD2 HIS 86 2HD HIS 86 -12.273 -10.650 1.562 506 HE1 HIS 86 1HE HIS 86 -9.681 -13.742 2.891 507 H ILE 87 H ILE 87 -11.188 -8.843 3.759 508 HA ILE 87 HA ILE 87 -9.953 -6.352 4.822 509 HB ILE 87 HB ILE 87 -12.367 -7.959 5.733 510 HG13 ILE 87 2HG1 ILE 87 -13.734 -6.067 4.902 511 HG21 ILE 87 1HG2 ILE 87 -11.416 -6.728 7.605 512 HG22 ILE 87 2HG2 ILE 87 -11.441 -5.221 6.665 513 HG23 ILE 87 3HG2 ILE 87 -12.951 -6.010 7.121 514 HD11 ILE 87 3HD1 ILE 87 -12.948 -4.537 3.222 515 HD12 ILE 87 1HD1 ILE 87 -11.927 -4.310 4.653 516 HD13 ILE 87 2HD1 ILE 87 -11.316 -5.221 3.259 517 H ASP 88 H ASP 88 -8.895 -6.342 6.750 518 HA ASP 88 HA ASP 88 -7.332 -8.655 7.397 519 HB3 ASP 88 2HB ASP 88 -7.572 -5.931 8.708 520 H TYR 89 H TYR 89 -9.239 -10.019 7.799 521 HA TYR 89 HA TYR 89 -10.468 -9.999 10.462 522 HB3 TYR 89 2HB TYR 89 -10.985 -12.405 9.607 523 HD1 TYR 89 1HD TYR 89 -11.654 -9.042 7.954 524 HD2 TYR 89 2HD TYR 89 -13.309 -12.654 9.628 525 HE1 TYR 89 1HE TYR 89 -13.908 -8.038 7.886 526 HE2 TYR 89 2HE TYR 89 -15.561 -11.635 9.586 527 HH TYR 89 HH TYR 89 -16.786 -9.691 9.229 528 H THR 90 H THR 90 -7.907 -9.606 10.903 529 HA THR 90 HA THR 90 -7.236 -12.086 12.235 530 HB THR 90 HB THR 90 -4.665 -11.304 11.452 531 HG1 THR 90 1HG THR 90 -5.712 -10.013 9.731 532 HG21 THR 90 3HG2 THR 90 -5.531 -13.614 11.647 533 HG22 THR 90 1HG2 THR 90 -4.639 -13.373 10.136 534 HG23 THR 90 2HG2 THR 90 -6.412 -13.413 10.121 535 H THR 91 H THR 91 -6.005 -8.714 11.598 536 HA THR 91 HA THR 91 -5.373 -8.497 14.467 537 HB THR 91 HB THR 91 -4.853 -6.578 12.193 538 HG1 THR 91 1HG THR 91 -2.814 -7.497 12.199 539 HG21 THR 91 3HG2 THR 91 -3.181 -5.576 13.682 540 HG22 THR 91 1HG2 THR 91 -3.589 -6.723 14.959 541 HG23 THR 91 2HG2 THR 91 -4.771 -5.507 14.446 542 H LYS 92 H LYS 92 -7.074 -6.230 12.138 543 HA LYS 92 HA LYS 92 -9.414 -6.214 13.813 544 HB3 LYS 92 2HB LYS 92 -9.567 -3.747 13.764 545 HG3 LYS 92 2HG LYS 92 -7.027 -4.515 15.230 546 HD3 LYS 92 2HD LYS 92 -7.878 -2.930 16.929 547 HE3 LYS 92 2HE LYS 92 -7.584 -0.781 15.894 548 HZ1 LYS 92 3HZ LYS 92 -5.466 -1.002 15.075 549 HZ2 LYS 92 1HZ LYS 92 -5.752 -2.394 14.237 550 HZ3 LYS 92 2HZ LYS 92 -5.590 -2.419 15.872 551 HA PRO 93 HA PRO 93 -10.640 -6.137 9.577 552 HB3 PRO 93 2HB PRO 93 -12.673 -6.978 10.019 553 HG3 PRO 93 2HG PRO 93 -13.633 -6.657 12.116 554 HD3 PRO 93 2HD PRO 93 -11.442 -6.944 12.879 555 H ALA 94 H ALA 94 -9.539 -4.694 8.516 556 HA ALA 94 HA ALA 94 -10.518 -1.974 7.853 557 HB1 ALA 94 1HB ALA 94 -8.270 -1.194 8.253 558 HB2 ALA 94 2HB ALA 94 -8.519 -2.267 9.646 559 HB3 ALA 94 3HB ALA 94 -7.576 -2.820 8.272 560 H ILE 95 H ILE 95 -9.436 -1.401 5.709 561 HA ILE 95 HA ILE 95 -8.627 -3.753 4.063 562 HB ILE 95 HB ILE 95 -8.778 -0.772 3.390 563 HG13 ILE 95 2HG1 ILE 95 -10.957 -2.056 3.608 564 HG21 ILE 95 1HG2 ILE 95 -8.078 -3.168 1.618 565 HG22 ILE 95 2HG2 ILE 95 -8.262 -1.490 1.057 566 HG23 ILE 95 3HG2 ILE 95 -6.937 -1.904 2.121 567 HD11 ILE 95 3HD1 ILE 95 -10.437 -1.446 0.679 568 HD12 ILE 95 1HD1 ILE 95 -11.989 -1.498 1.517 569 HD13 ILE 95 2HD1 ILE 95 -10.824 -0.217 1.898 570 H ILE 96 H ILE 96 -6.486 -4.240 3.709 571 HA ILE 96 HA ILE 96 -4.407 -2.659 5.111 572 HB ILE 96 HB ILE 96 -4.602 -5.543 4.200 573 HG13 ILE 96 2HG1 ILE 96 -4.465 -6.126 6.485 574 HG21 ILE 96 1HG2 ILE 96 -2.336 -5.915 5.193 575 HG22 ILE 96 2HG2 ILE 96 -2.351 -5.045 3.654 576 HG23 ILE 96 3HG2 ILE 96 -2.103 -4.152 5.184 577 HD11 ILE 96 3HD1 ILE 96 -3.707 -3.250 7.123 578 HD12 ILE 96 1HD1 ILE 96 -4.306 -4.400 8.323 579 HD13 ILE 96 2HD1 ILE 96 -2.797 -4.738 7.473 580 H PHE 97 H PHE 97 -2.569 -2.099 4.044 581 HA PHE 97 HA PHE 97 -2.480 -2.348 1.065 582 HB3 PHE 97 2HB PHE 97 -1.669 0.031 1.093 583 HD1 PHE 97 1HD PHE 97 -4.303 0.176 3.709 584 HD2 PHE 97 2HD PHE 97 -3.530 -0.078 -0.533 585 HE1 PHE 97 1HE PHE 97 -6.645 0.781 3.237 586 HE2 PHE 97 2HE PHE 97 -5.913 0.450 -0.984 587 HZ PHE 97 HZ PHE 97 -7.457 0.913 0.904 588 H ARG 98 H ARG 98 -0.526 -3.091 0.360 589 HA ARG 98 HA ARG 98 1.910 -3.036 2.100 590 HB3 ARG 98 2HB ARG 98 2.839 -4.367 0.080 591 HG3 ARG 98 2HG ARG 98 1.498 -6.406 0.921 592 HD3 ARG 98 2HD ARG 98 3.980 -5.796 1.410 593 HE ARG 98 HE ARG 98 4.256 -4.757 3.406 594 HH11 ARG 98 1HH1 ARG 98 1.512 -7.043 4.070 595 HH12 ARG 98 2HH1 ARG 98 1.976 -7.192 5.708 596 HH21 ARG 98 1HH2 ARG 98 4.784 -5.120 5.663 597 HH22 ARG 98 2HH2 ARG 98 3.655 -6.066 6.579 598 H ILE 99 H ILE 99 2.256 -0.678 1.772 599 HA ILE 99 HA ILE 99 2.619 0.235 -1.039 600 HB ILE 99 HB ILE 99 2.731 1.764 1.581 601 HG13 ILE 99 2HG1 ILE 99 0.408 0.813 0.790 602 HG21 ILE 99 1HG2 ILE 99 4.069 2.810 -0.279 603 HG22 ILE 99 2HG2 ILE 99 2.626 2.801 -1.303 604 HG23 ILE 99 3HG2 ILE 99 2.687 3.796 0.168 605 HD11 ILE 99 3HD1 ILE 99 0.769 3.776 1.300 606 HD12 ILE 99 1HD1 ILE 99 -0.770 2.891 1.371 607 HD13 ILE 99 2HD1 ILE 99 0.542 2.501 2.519 608 H ALA 100 H ALA 100 4.733 0.552 -1.854 609 HA ALA 100 HA ALA 100 6.996 0.693 0.006 610 HB1 ALA 100 1HB ALA 100 6.788 -1.528 -2.088 611 HB2 ALA 100 2HB ALA 100 8.231 -1.122 -1.124 612 HB3 ALA 100 3HB ALA 100 6.778 -1.749 -0.325 613 H ALA 101 H ALA 101 8.761 1.740 -0.969 614 HA ALA 101 HA ALA 101 8.201 3.337 -3.365 615 HB1 ALA 101 1HB ALA 101 10.771 3.067 -1.771 616 HB2 ALA 101 2HB ALA 101 10.300 4.373 -2.876 617 HB3 ALA 101 3HB ALA 101 9.436 4.179 -1.341 618 H ARG 102 H ARG 102 9.421 3.261 -5.319 619 HA ARG 102 HA ARG 102 10.964 0.757 -5.768 620 HB3 ARG 102 2HB ARG 102 9.976 2.513 -7.989 621 HG3 ARG 102 2HG ARG 102 9.325 0.076 -8.755 622 HD3 ARG 102 2HD ARG 102 12.271 0.672 -8.937 623 HE ARG 102 HE ARG 102 11.612 -1.222 -10.248 624 HH11 ARG 102 1HH1 ARG 102 10.668 1.808 -11.711 625 HH12 ARG 102 2HH1 ARG 102 9.465 1.180 -12.763 626 HH21 ARG 102 1HH2 ARG 102 9.962 -2.196 -11.677 627 HH22 ARG 102 2HH2 ARG 102 9.349 -1.213 -12.969 628 H ASN 103 H ASN 103 12.967 1.415 -5.040 629 HA ASN 103 HA ASN 103 14.289 3.585 -6.526 630 HB3 ASN 103 2HB ASN 103 13.774 4.540 -4.355 631 HD21 ASN 103 1HD2 ASN 103 13.679 4.482 -2.056 632 HD22 ASN 103 2HD2 ASN 103 14.276 3.096 -1.156 633 H GLU 104 H GLU 104 16.869 3.159 -5.654 634 HA GLU 104 HA GLU 104 17.568 0.903 -7.199 635 HB3 GLU 104 2HB GLU 104 19.858 1.231 -5.968 636 HG3 GLU 104 2HG GLU 104 18.650 3.637 -7.345 637 H LYS 105 H LYS 105 17.005 1.160 -3.673 638 HA LYS 105 HA LYS 105 18.680 -0.826 -2.775 639 HB3 LYS 105 2HB LYS 105 17.217 -0.730 -0.821 640 HG3 LYS 105 2HG LYS 105 17.264 1.625 -0.191 641 HD3 LYS 105 2HD LYS 105 19.549 2.384 -0.726 642 HE3 LYS 105 2HE LYS 105 19.527 -0.574 -0.026 643 HZ1 LYS 105 3HZ LYS 105 21.511 1.515 0.688 644 HZ2 LYS 105 1HZ LYS 105 21.693 0.422 -0.544 645 HZ3 LYS 105 2HZ LYS 105 21.601 -0.110 0.994 646 H GLY 106 H GLY 106 15.466 -1.143 -4.134 647 HA2 GLY 106 1HA GLY 106 15.185 -3.173 -5.456 648 HA3 GLY 106 2HA GLY 106 16.249 -3.961 -4.294 649 H TYR 107 H TYR 107 13.275 -2.441 -3.634 650 HA TYR 107 HA TYR 107 11.681 -2.810 -2.184 651 HB3 TYR 107 2HB TYR 107 10.473 -4.734 -2.967 652 HD1 TYR 107 1HD TYR 107 9.370 -2.445 -2.759 653 HD2 TYR 107 2HD TYR 107 11.273 -3.943 -6.333 654 HE1 TYR 107 1HE TYR 107 7.951 -0.930 -4.144 655 HE2 TYR 107 2HE TYR 107 9.772 -2.505 -7.724 656 HH TYR 107 HH TYR 107 7.509 -1.239 -7.536 657 H GLY 108 H GLY 108 12.530 -2.934 -0.265 658 HA2 GLY 108 1HA GLY 108 12.414 -5.572 1.102 659 HA3 GLY 108 2HA GLY 108 13.580 -4.302 1.563 660 HA PRO 109 HA PRO 109 10.659 -2.623 4.216 661 HB3 PRO 109 2HB PRO 109 12.145 -0.861 4.519 662 HG3 PRO 109 2HG PRO 109 13.046 0.354 2.697 663 HD3 PRO 109 2HD PRO 109 13.577 -1.814 1.962 664 H ALA 110 H ALA 110 8.458 -2.159 4.457 665 HA ALA 110 HA ALA 110 6.897 -0.885 2.379 666 HB1 ALA 110 1HB ALA 110 5.358 -2.780 1.991 667 HB2 ALA 110 2HB ALA 110 6.989 -3.233 1.475 668 HB3 ALA 110 3HB ALA 110 6.355 -3.841 3.011 669 H THR 111 H THR 111 4.968 -0.101 3.332 670 HA THR 111 HA THR 111 4.879 -0.419 6.289 671 HB THR 111 HB THR 111 3.951 1.897 4.578 672 HG1 THR 111 1HG THR 111 5.897 2.825 5.366 673 HG21 THR 111 3HG2 THR 111 2.833 1.785 6.795 674 HG22 THR 111 1HG2 THR 111 4.006 3.106 6.746 675 HG23 THR 111 2HG2 THR 111 4.407 1.602 7.589 676 H GLN 112 H GLN 112 3.368 -1.810 6.983 677 HA GLN 112 HA GLN 112 0.928 -2.328 5.498 678 HB3 GLN 112 2HB GLN 112 1.749 -3.110 8.329 679 HG3 GLN 112 2HG GLN 112 -0.077 -4.893 6.835 680 HE21 GLN 112 1HE2 GLN 112 0.871 -6.092 8.746 681 HE22 GLN 112 2HE2 GLN 112 0.009 -5.935 10.278 682 H VAL 113 H VAL 113 -0.252 -0.359 5.315 683 HA VAL 113 HA VAL 113 -1.089 0.797 7.910 684 HB VAL 113 HB VAL 113 -2.013 2.561 6.688 685 HG11 VAL 113 1HG1 VAL 113 -0.030 3.650 5.913 686 HG12 VAL 113 2HG1 VAL 113 0.519 2.485 7.123 687 HG13 VAL 113 3HG1 VAL 113 0.693 2.112 5.389 688 HG21 VAL 113 3HG2 VAL 113 -1.029 1.456 4.061 689 HG22 VAL 113 1HG2 VAL 113 -2.740 1.455 4.587 690 HG23 VAL 113 2HG2 VAL 113 -1.893 2.976 4.328 691 H ARG 114 H ARG 114 -3.242 0.923 8.347 692 HA ARG 114 HA ARG 114 -5.009 -1.049 7.039 693 HB3 ARG 114 2HB ARG 114 -4.616 -2.176 9.048 694 HG3 ARG 114 2HG ARG 114 -4.787 -0.861 11.326 695 HD3 ARG 114 2HD ARG 114 -2.406 -1.183 9.501 696 HE ARG 114 HE ARG 114 -2.286 0.663 11.576 697 HH11 ARG 114 1HH1 ARG 114 -0.708 -2.469 10.844 698 HH12 ARG 114 2HH1 ARG 114 0.537 -2.225 12.018 699 HH21 ARG 114 1HH2 ARG 114 -0.418 1.103 12.825 700 HH22 ARG 114 2HH2 ARG 114 0.924 -0.036 12.790 701 H TRP 115 H TRP 115 -7.015 -0.250 6.616 702 HA TRP 115 HA TRP 115 -7.621 2.528 7.546 703 HB3 TRP 115 2HB TRP 115 -8.373 1.174 4.934 704 HD1 TRP 115 HD TRP 115 -7.883 4.701 6.509 705 HE1 TRP 115 1HE TRP 115 -9.305 6.375 5.208 706 HE3 TRP 115 3HE TRP 115 -10.147 1.451 3.279 707 HZ2 TRP 115 2HZ TRP 115 -11.061 6.310 2.879 708 HZ3 TRP 115 3HZ TRP 115 -11.647 2.315 1.462 709 HH2 TRP 115 HH TRP 115 -12.134 4.719 1.309 710 H LEU 116 H LEU 116 -8.960 2.162 9.241 711 HA LEU 116 HA LEU 116 -11.185 0.288 8.973 712 HB3 LEU 116 2HB LEU 116 -11.652 0.969 11.272 713 HG LEU 116 HG LEU 116 -10.111 -0.885 10.429 714 HD11 LEU 116 1HD1 LEU 116 -8.044 0.211 10.090 715 HD12 LEU 116 2HD1 LEU 116 -7.876 -1.001 11.342 716 HD13 LEU 116 3HD1 LEU 116 -7.958 0.722 11.794 717 HD21 LEU 116 3HD2 LEU 116 -9.737 -1.673 12.726 718 HD22 LEU 116 1HD2 LEU 116 -11.298 -0.865 12.631 719 HD23 LEU 116 2HD2 LEU 116 -9.915 -0.013 13.354 720 H GLN 117 H GLN 117 -11.346 2.175 7.105 721 HA GLN 117 HA GLN 117 -13.712 3.774 7.821 722 HB3 GLN 117 2HB GLN 117 -12.207 4.993 5.624 723 HG3 GLN 117 2HG GLN 117 -11.920 6.837 7.479 724 HE21 GLN 117 1HE2 GLN 117 -13.841 5.755 5.013 725 HE22 GLN 117 2HE2 GLN 117 -15.022 7.043 5.063 726 H GLU 118 H GLU 118 -12.828 0.989 6.418 727 HA GLU 118 HA GLU 118 -13.833 1.356 3.702 728 HB3 GLU 118 2HB GLU 118 -12.403 -0.344 3.751 729 HG3 GLU 118 2HG GLU 118 -11.822 -0.707 5.980 730 H THR 119 H THR 119 -15.210 0.617 6.842 731 HA THR 119 HA THR 119 -17.534 -0.708 6.071 732 HB THR 119 HB THR 119 -16.808 0.963 8.513 733 HG1 THR 119 1HG THR 119 -15.475 -0.868 8.059 734 HG21 THR 119 3HG2 THR 119 -19.009 -1.138 8.252 735 HG22 THR 119 1HG2 THR 119 -19.258 0.602 8.550 736 HG23 THR 119 2HG2 THR 119 -18.444 -0.385 9.765 737 H SER 120 H SER 120 -19.813 -0.008 6.093 738 HA SER 120 HA SER 120 -19.941 2.147 4.200 739 HB3 SER 120 2HB SER 120 -21.136 0.230 3.610 740 HG SER 120 HG SER 120 -23.097 -0.166 5.061 741 H LYS 121 H LYS 121 -20.545 4.223 4.489 742 HA LYS 121 HA LYS 121 -22.137 4.954 6.889 743 HB3 LYS 121 2HB LYS 121 -19.448 6.163 6.146 744 HG3 LYS 121 2HG LYS 121 -21.448 6.827 8.356 745 HD3 LYS 121 2HD LYS 121 -18.568 7.690 7.913 746 HE3 LYS 121 2HE LYS 121 -20.654 8.768 9.838 747 HZ1 LYS 121 3HZ LYS 121 -17.830 9.525 9.385 748 HZ2 LYS 121 1HZ LYS 121 -18.423 8.863 10.761 749 HZ3 LYS 121 2HZ LYS 121 -18.897 10.362 10.319 750 H ASP 122 H ASP 122 -20.356 6.849 4.392 751 HA ASP 122 HA ASP 122 -22.801 7.894 3.189 752 HB3 ASP 122 2HB ASP 122 -21.274 9.504 5.274 753 H SER 123 H SER 123 -19.844 9.749 3.917 754 HA SER 123 HA SER 123 -18.332 10.746 2.682 755 HB3 SER 123 2HB SER 123 -18.795 8.698 0.496 756 HG SER 123 HG SER 123 -17.796 10.434 -0.337 757 H SER 124 H SER 124 -19.873 12.439 2.850 758 HA SER 124 HA SER 124 -20.263 13.411 0.116 759 HB3 SER 124 2HB SER 124 -22.204 14.249 2.301 760 HG SER 124 HG SER 124 -22.351 15.575 0.534 761 H GLY 125 H GLY 125 -19.883 15.763 0.010 762 HA2 GLY 125 1HA GLY 125 -18.946 17.576 1.802 763 HA3 GLY 125 2HA GLY 125 -17.587 16.445 1.564 764 H THR 126 H THR 126 -16.677 18.577 0.536 765 HA THR 126 HA THR 126 -17.698 19.302 -2.025 766 HB THR 126 HB THR 126 -14.806 19.601 -1.902 767 HG1 THR 126 1HG THR 126 -14.805 19.731 0.270 768 HG21 THR 126 3HG2 THR 126 -16.491 20.895 -3.239 769 HG22 THR 126 1HG2 THR 126 -15.442 21.944 -2.291 770 HG23 THR 126 2HG2 THR 126 -17.105 21.611 -1.739 Start of MODEL 14 1 H1 GLY 1 H GLY 1 30.380 -4.886 3.890 2 HA2 GLY 1 1HA GLY 1 28.669 -6.321 2.952 3 HA3 GLY 1 2HA GLY 1 28.251 -5.916 4.636 4 H CYS 2 H CYS 2 25.971 -6.451 3.742 5 HA CYS 2 HA CYS 2 24.906 -4.364 1.947 6 HB3 CYS 2 2HB CYS 2 22.914 -5.866 1.866 7 HG CYS 2 HG CYS 2 24.326 -6.001 -0.130 8 H LEU 3 H LEU 3 25.349 -4.352 5.155 9 HA LEU 3 HA LEU 3 24.666 -3.030 6.819 10 HB3 LEU 3 2HB LEU 3 22.770 -1.493 6.707 11 HG LEU 3 HG LEU 3 24.316 -1.362 4.100 12 HD11 LEU 3 1HD1 LEU 3 22.670 0.756 5.549 13 HD12 LEU 3 2HD1 LEU 3 22.217 -0.070 4.042 14 HD13 LEU 3 3HD1 LEU 3 23.621 1.005 4.067 15 HD21 LEU 3 3HD2 LEU 3 25.672 0.358 5.250 16 HD22 LEU 3 1HD2 LEU 3 25.833 -1.229 6.008 17 HD23 LEU 3 2HD2 LEU 3 24.805 0.009 6.765 18 HA PRO 4 HA PRO 4 22.606 -6.142 8.828 19 HB3 PRO 4 2HB PRO 4 23.385 -5.247 10.794 20 HG3 PRO 4 2HG PRO 4 23.210 -2.879 11.218 21 HD3 PRO 4 2HD PRO 4 24.350 -3.202 9.157 22 H GLY 5 H GLY 5 20.496 -3.601 7.815 23 HA2 GLY 5 1HA GLY 5 18.400 -5.285 7.110 24 HA3 GLY 5 2HA GLY 5 17.953 -4.468 8.627 25 H PHE 6 H PHE 6 16.392 -3.639 6.693 26 HA PHE 6 HA PHE 6 17.577 -1.186 5.505 27 HB3 PHE 6 2HB PHE 6 15.760 -1.531 3.784 28 HD1 PHE 6 2HD PHE 6 19.056 -1.641 4.286 29 HD2 PHE 6 1HD PHE 6 16.102 -4.016 2.230 30 HE1 PHE 6 2HE PHE 6 20.708 -2.450 2.833 31 HE2 PHE 6 1HE PHE 6 17.811 -4.782 0.646 32 HZ PHE 6 HZ PHE 6 20.218 -4.110 0.990 33 HA PRO 7 HA PRO 7 14.816 0.086 8.857 34 HB3 PRO 7 2HB PRO 7 16.855 0.645 9.895 35 HG3 PRO 7 2HG PRO 7 18.621 1.707 8.684 36 HD3 PRO 7 2HD PRO 7 18.240 -0.288 7.493 37 H GLY 8 H GLY 8 15.632 1.882 5.956 38 HA2 GLY 8 1HA GLY 8 13.802 4.100 6.283 39 HA3 GLY 8 2HA GLY 8 14.485 3.465 4.765 40 H ALA 9 H ALA 9 11.770 4.312 5.140 41 HA ALA 9 HA ALA 9 10.287 2.090 4.121 42 HB1 ALA 9 1HB ALA 9 8.600 2.404 6.077 43 HB2 ALA 9 2HB ALA 9 10.041 1.444 6.427 44 HB3 ALA 9 3HB ALA 9 9.922 3.140 6.975 45 HA PRO 10 HA PRO 10 7.907 5.856 2.953 46 HB3 PRO 10 2HB PRO 10 6.386 4.613 1.719 47 HG3 PRO 10 2HG PRO 10 5.812 2.377 2.402 48 HD3 PRO 10 2HD PRO 10 8.178 2.430 2.305 49 H CYS 11 H CYS 11 6.937 7.491 4.120 50 HA CYS 11 HA CYS 11 6.113 6.973 6.927 51 HB3 CYS 11 2HB CYS 11 7.201 9.160 7.490 52 HG CYS 11 HG CYS 11 9.653 8.543 7.678 53 H ALA 12 H ALA 12 5.116 9.099 7.693 54 HA ALA 12 HA ALA 12 3.157 10.182 7.812 55 HB1 ALA 12 1HB ALA 12 3.473 12.295 7.052 56 HB2 ALA 12 2HB ALA 12 5.100 11.664 6.820 57 HB3 ALA 12 3HB ALA 12 3.965 11.775 5.445 58 H ILE 13 H ILE 13 2.661 7.782 6.370 59 HA ILE 13 HA ILE 13 1.286 8.151 3.940 60 HB ILE 13 HB ILE 13 0.914 6.025 6.097 61 HG13 ILE 13 2HG1 ILE 13 3.018 6.500 4.053 62 HG21 ILE 13 1HG2 ILE 13 0.040 4.631 4.148 63 HG22 ILE 13 2HG2 ILE 13 -1.021 5.933 4.656 64 HG23 ILE 13 3HG2 ILE 13 -0.036 6.131 3.196 65 HD11 ILE 13 3HD1 ILE 13 3.526 5.967 6.446 66 HD12 ILE 13 1HD1 ILE 13 2.703 4.397 6.248 67 HD13 ILE 13 2HD1 ILE 13 4.181 4.732 5.333 68 H LYS 14 H LYS 14 -0.768 8.822 3.496 69 HA LYS 14 HA LYS 14 -2.772 8.954 5.691 70 HB3 LYS 14 2HB LYS 14 -3.638 11.011 4.617 71 HG3 LYS 14 2HG LYS 14 -1.862 12.633 5.299 72 HD3 LYS 14 2HD LYS 14 -1.343 11.184 7.631 73 HE3 LYS 14 2HE LYS 14 -2.251 13.460 7.583 74 HZ1 LYS 14 3HZ LYS 14 -3.936 13.306 5.944 75 HZ2 LYS 14 1HZ LYS 14 -4.677 13.667 7.376 76 HZ3 LYS 14 2HZ LYS 14 -4.767 12.134 6.764 77 H ILE 15 H ILE 15 -4.787 8.365 5.136 78 HA ILE 15 HA ILE 15 -5.477 7.904 2.344 79 HB ILE 15 HB ILE 15 -5.990 5.869 4.571 80 HG13 ILE 15 2HG1 ILE 15 -3.493 5.996 3.733 81 HG21 ILE 15 1HG2 ILE 15 -6.783 4.425 2.704 82 HG22 ILE 15 2HG2 ILE 15 -7.680 5.938 2.759 83 HG23 ILE 15 3HG2 ILE 15 -6.413 5.713 1.543 84 HD11 ILE 15 3HD1 ILE 15 -4.952 3.375 3.624 85 HD12 ILE 15 1HD1 ILE 15 -3.207 3.605 3.811 86 HD13 ILE 15 2HD1 ILE 15 -4.318 4.150 5.089 87 H SER 16 H SER 16 -7.475 8.711 2.084 88 HA SER 16 HA SER 16 -9.285 9.349 4.358 89 HB3 SER 16 2HB SER 16 -9.363 11.733 3.748 90 HG SER 16 HG SER 16 -7.270 12.359 4.450 91 H LYS 17 H LYS 17 -11.327 9.350 3.769 92 HA LYS 17 HA LYS 17 -12.012 8.193 1.234 93 HB3 LYS 17 2HB LYS 17 -13.703 9.581 3.354 94 HG3 LYS 17 2HG LYS 17 -14.306 7.794 0.959 95 HD3 LYS 17 2HD LYS 17 -14.935 6.455 2.971 96 HE3 LYS 17 2HE LYS 17 -15.755 8.231 4.484 97 HZ1 LYS 17 3HZ LYS 17 -18.037 8.498 2.588 98 HZ2 LYS 17 1HZ LYS 17 -16.958 9.686 2.999 99 HZ3 LYS 17 2HZ LYS 17 -17.988 9.075 4.100 100 H SER 18 H SER 18 -13.040 9.140 -0.552 101 HA SER 18 HA SER 18 -13.126 12.087 -0.791 102 HB3 SER 18 2HB SER 18 -12.322 10.439 -3.158 103 HG SER 18 HG SER 18 -11.045 12.749 -2.123 104 HA PRO 19 HA PRO 19 -17.103 10.942 -2.270 105 HB3 PRO 19 2HB PRO 19 -17.595 13.173 -2.524 106 HG3 PRO 19 2HG PRO 19 -16.056 14.663 -3.581 107 HD3 PRO 19 2HD PRO 19 -14.799 13.651 -1.859 108 H ASP 20 H ASP 20 -14.424 10.653 -4.479 109 HA ASP 20 HA ASP 20 -16.032 8.946 -6.317 110 HB3 ASP 20 2HB ASP 20 -13.160 9.582 -6.849 111 H GLY 21 H GLY 21 -14.091 8.604 -3.488 112 HA2 GLY 21 1HA GLY 21 -13.835 5.905 -3.334 113 HA3 GLY 21 2HA GLY 21 -12.530 6.330 -4.433 114 H ALA 22 H ALA 22 -10.581 6.668 -3.412 115 HA ALA 22 HA ALA 22 -10.535 7.968 -0.736 116 HB1 ALA 22 1HB ALA 22 -9.119 5.364 -1.416 117 HB2 ALA 22 2HB ALA 22 -9.046 6.241 0.126 118 HB3 ALA 22 3HB ALA 22 -10.571 5.497 -0.402 119 H HIS 23 H HIS 23 -8.931 9.351 -0.519 120 HA HIS 23 HA HIS 23 -6.838 9.899 -2.483 121 HB3 HIS 23 2HB HIS 23 -5.997 11.322 -0.562 122 HD1 HIS 23 1HD HIS 23 -7.034 12.659 -3.012 123 HD2 HIS 23 2HD HIS 23 -9.442 12.211 0.448 124 HE1 HIS 23 1HE HIS 23 -8.933 14.304 -3.238 125 H LEU 24 H LEU 24 -4.641 9.426 -2.134 126 HA LEU 24 HA LEU 24 -3.774 8.053 0.270 127 HB3 LEU 24 2HB LEU 24 -2.304 6.595 -1.196 128 HG LEU 24 HG LEU 24 -4.438 5.987 0.193 129 HD11 LEU 24 1HD1 LEU 24 -6.008 6.251 -1.802 130 HD12 LEU 24 2HD1 LEU 24 -6.089 4.734 -0.907 131 HD13 LEU 24 3HD1 LEU 24 -5.244 4.809 -2.484 132 HD21 LEU 24 3HD2 LEU 24 -3.954 3.621 -0.155 133 HD22 LEU 24 1HD2 LEU 24 -2.467 4.565 -0.072 134 HD23 LEU 24 2HD2 LEU 24 -3.070 4.005 -1.653 135 H THR 25 H THR 25 -2.022 9.158 0.961 136 HA THR 25 HA THR 25 -0.140 10.227 -1.048 137 HB THR 25 HB THR 25 0.073 12.336 0.083 138 HG1 THR 25 1HG THR 25 -0.324 11.841 2.159 139 HG21 THR 25 3HG2 THR 25 -2.930 11.954 -0.141 140 HG22 THR 25 1HG2 THR 25 -1.879 12.080 -1.575 141 HG23 THR 25 2HG2 THR 25 -1.981 13.429 -0.440 142 H TRP 26 H TRP 26 2.020 10.556 -0.113 143 HA TRP 26 HA TRP 26 2.509 9.318 2.513 144 HB3 TRP 26 2HB TRP 26 3.805 7.509 1.854 145 HD1 TRP 26 HD TRP 26 2.095 5.693 2.058 146 HE1 TRP 26 1HE TRP 26 0.310 4.564 0.620 147 HE3 TRP 26 3HE TRP 26 2.385 8.713 -2.031 148 HZ2 TRP 26 2HZ TRP 26 -0.801 4.895 -2.001 149 HZ3 TRP 26 3HZ TRP 26 0.965 8.229 -4.013 150 HH2 TRP 26 HH TRP 26 -0.720 6.392 -3.945 151 H GLU 27 H GLU 27 5.081 9.216 2.817 152 HA GLU 27 HA GLU 27 6.431 11.527 1.554 153 HB3 GLU 27 2HB GLU 27 7.295 11.765 4.113 154 HG3 GLU 27 2HG GLU 27 5.368 13.359 4.572 155 HA PRO 28 HA PRO 28 9.870 8.693 1.710 156 HB3 PRO 28 2HB PRO 28 10.930 10.233 0.314 157 HG3 PRO 28 2HG PRO 28 10.854 12.577 0.742 158 HD3 PRO 28 2HD PRO 28 8.583 11.992 0.704 159 HA PRO 29 HA PRO 29 11.228 8.214 5.936 160 HB3 PRO 29 2HB PRO 29 12.416 6.339 5.472 161 HG3 PRO 29 2HG PRO 29 13.410 6.051 3.339 162 HD3 PRO 29 2HD PRO 29 11.260 6.837 2.796 163 H SER 30 H SER 30 14.148 9.667 4.226 164 HA SER 30 HA SER 30 15.162 11.558 4.419 165 HB3 SER 30 2HB SER 30 13.491 13.042 6.330 166 HG SER 30 HG SER 30 15.052 13.875 4.834 167 H VAL 31 H VAL 31 15.621 9.253 5.657 168 HA VAL 31 HA VAL 31 17.413 10.249 7.469 169 HB VAL 31 HB VAL 31 16.853 8.055 9.116 170 HG11 VAL 31 1HG1 VAL 31 15.847 10.921 9.578 171 HG12 VAL 31 2HG1 VAL 31 16.096 9.664 10.789 172 HG13 VAL 31 3HG1 VAL 31 17.475 10.317 9.907 173 HG21 VAL 31 3HG2 VAL 31 14.524 8.044 9.711 174 HG22 VAL 31 1HG2 VAL 31 14.155 9.406 8.630 175 HG23 VAL 31 2HG2 VAL 31 14.576 7.856 7.952 176 H THR 32 H THR 32 16.254 7.033 6.190 177 HA THR 32 HA THR 32 18.842 5.927 6.200 178 HB THR 32 HB THR 32 16.657 4.721 5.840 179 HG1 THR 32 1HG THR 32 18.628 3.694 5.481 180 HG21 THR 32 3HG2 THR 32 15.724 6.139 4.041 181 HG22 THR 32 1HG2 THR 32 15.810 4.442 3.532 182 HG23 THR 32 2HG2 THR 32 16.987 5.601 2.937 183 H SER 33 H SER 33 20.404 5.589 4.420 184 HA SER 33 HA SER 33 20.430 7.775 2.414 185 HB3 SER 33 2HB SER 33 22.750 7.270 2.130 186 HG SER 33 HG SER 33 23.402 7.986 4.039 187 H GLY 34 H GLY 34 18.455 6.337 1.650 188 HA2 GLY 34 1HA GLY 34 19.300 3.903 0.133 189 HA3 GLY 34 2HA GLY 34 17.644 4.301 0.630 190 H LYS 35 H LYS 35 19.256 4.017 -2.115 191 HA LYS 35 HA LYS 35 18.450 6.549 -3.381 192 HB3 LYS 35 2HB LYS 35 19.421 4.036 -4.790 193 HG3 LYS 35 2HG LYS 35 19.674 7.008 -5.345 194 HD3 LYS 35 2HD LYS 35 19.840 4.728 -7.351 195 HE3 LYS 35 2HE LYS 35 20.853 7.621 -7.288 196 HZ1 LYS 35 3HZ LYS 35 21.989 6.001 -8.807 197 HZ2 LYS 35 1HZ LYS 35 21.392 7.376 -9.492 198 HZ3 LYS 35 2HZ LYS 35 20.586 5.965 -9.704 199 H ILE 36 H ILE 36 16.298 6.508 -2.841 200 HA ILE 36 HA ILE 36 14.377 4.473 -3.715 201 HB ILE 36 HB ILE 36 14.152 7.314 -2.641 202 HG13 ILE 36 2HG1 ILE 36 13.221 4.600 -1.611 203 HG21 ILE 36 1HG2 ILE 36 11.692 7.014 -2.711 204 HG22 ILE 36 2HG2 ILE 36 12.397 7.100 -4.308 205 HG23 ILE 36 3HG2 ILE 36 11.894 5.520 -3.651 206 HD11 ILE 36 3HD1 ILE 36 14.378 5.224 0.494 207 HD12 ILE 36 1HD1 ILE 36 15.506 4.988 -0.842 208 HD13 ILE 36 2HD1 ILE 36 15.068 6.638 -0.321 209 H ILE 37 H ILE 37 13.591 4.277 -5.738 210 HA ILE 37 HA ILE 37 14.088 6.443 -7.716 211 HB ILE 37 HB ILE 37 14.380 4.606 -9.373 212 HG13 ILE 37 2HG1 ILE 37 13.313 2.786 -7.961 213 HG21 ILE 37 1HG2 ILE 37 16.713 4.259 -8.915 214 HG22 ILE 37 2HG2 ILE 37 16.282 5.863 -8.355 215 HG23 ILE 37 3HG2 ILE 37 16.487 4.552 -7.171 216 HD11 ILE 37 3HD1 ILE 37 14.566 2.247 -10.026 217 HD12 ILE 37 1HD1 ILE 37 16.041 2.047 -9.051 218 HD13 ILE 37 2HD1 ILE 37 14.652 0.984 -8.784 219 H GLU 38 H GLU 38 11.820 4.088 -6.322 220 HA GLU 38 HA GLU 38 9.595 5.267 -7.717 221 HB3 GLU 38 2HB GLU 38 10.292 2.335 -8.318 222 HG3 GLU 38 2HG GLU 38 8.134 4.256 -9.166 223 H TYR 39 H TYR 39 7.694 3.246 -7.094 224 HA TYR 39 HA TYR 39 8.144 2.353 -4.361 225 HB3 TYR 39 2HB TYR 39 5.640 3.614 -4.188 226 HD1 TYR 39 2HD TYR 39 6.312 2.741 -2.003 227 HD2 TYR 39 1HD TYR 39 8.465 5.948 -3.860 228 HE1 TYR 39 2HE TYR 39 7.319 3.331 0.201 229 HE2 TYR 39 1HE TYR 39 9.479 6.557 -1.690 230 HH TYR 39 HH TYR 39 8.778 6.239 0.821 231 H SER 40 H SER 40 5.988 1.275 -3.612 232 HA SER 40 HA SER 40 4.289 0.325 -5.801 233 HB3 SER 40 2HB SER 40 4.242 -1.797 -4.101 234 HG SER 40 HG SER 40 4.374 -2.046 -6.250 235 H VAL 41 H VAL 41 2.214 -0.197 -5.046 236 HA VAL 41 HA VAL 41 1.463 0.381 -2.276 237 HB VAL 41 HB VAL 41 0.113 1.750 -4.634 238 HG11 VAL 41 1HG1 VAL 41 -1.221 2.903 -2.974 239 HG12 VAL 41 2HG1 VAL 41 -1.364 1.171 -2.688 240 HG13 VAL 41 3HG1 VAL 41 -0.316 2.146 -1.639 241 HG21 VAL 41 3HG2 VAL 41 2.272 2.894 -4.240 242 HG22 VAL 41 1HG2 VAL 41 0.926 3.894 -3.756 243 HG23 VAL 41 2HG2 VAL 41 1.884 3.054 -2.512 244 H TYR 42 H TYR 42 0.517 -1.478 -1.806 245 HA TYR 42 HA TYR 42 -1.071 -2.920 -3.869 246 HB3 TYR 42 2HB TYR 42 -0.630 -4.884 -2.572 247 HD1 TYR 42 2HD TYR 42 0.321 -5.361 -4.854 248 HD2 TYR 42 1HD TYR 42 2.569 -3.310 -1.776 249 HE1 TYR 42 2HE TYR 42 2.432 -5.772 -6.094 250 HE2 TYR 42 1HE TYR 42 4.641 -3.730 -3.007 251 HH TYR 42 HH TYR 42 5.479 -4.246 -5.142 252 H LEU 43 H LEU 43 -3.014 -3.892 -3.197 253 HA LEU 43 HA LEU 43 -4.382 -2.707 -0.857 254 HB3 LEU 43 2HB LEU 43 -5.536 -3.038 -3.659 255 HG LEU 43 HG LEU 43 -6.460 -0.820 -1.964 256 HD11 LEU 43 1HD1 LEU 43 -8.013 -2.899 -3.587 257 HD12 LEU 43 2HD1 LEU 43 -7.437 -1.336 -4.210 258 HD13 LEU 43 3HD1 LEU 43 -8.649 -1.378 -2.939 259 HD21 LEU 43 3HD2 LEU 43 -8.127 -2.082 -0.711 260 HD22 LEU 43 1HD2 LEU 43 -6.500 -2.523 -0.192 261 HD23 LEU 43 2HD2 LEU 43 -7.441 -3.595 -1.272 262 H ALA 44 H ALA 44 -5.184 -4.420 0.341 263 HA ALA 44 HA ALA 44 -5.113 -7.148 -0.521 264 HB1 ALA 44 1HB ALA 44 -6.516 -5.810 1.823 265 HB2 ALA 44 2HB ALA 44 -6.268 -7.558 1.603 266 HB3 ALA 44 3HB ALA 44 -4.864 -6.495 1.816 267 H ILE 45 H ILE 45 -6.569 -8.258 -1.697 268 HA ILE 45 HA ILE 45 -9.386 -7.435 -1.817 269 HB ILE 45 HB ILE 45 -9.463 -7.622 -4.222 270 HG13 ILE 45 2HG1 ILE 45 -7.132 -9.068 -4.190 271 HG21 ILE 45 1HG2 ILE 45 -7.346 -5.554 -3.528 272 HG22 ILE 45 2HG2 ILE 45 -8.480 -5.538 -4.900 273 HG23 ILE 45 3HG2 ILE 45 -9.084 -5.381 -3.260 274 HD11 ILE 45 3HD1 ILE 45 -8.753 -9.010 -5.972 275 HD12 ILE 45 1HD1 ILE 45 -8.213 -7.401 -6.481 276 HD13 ILE 45 2HD1 ILE 45 -7.109 -8.794 -6.621 277 H GLN 46 H GLN 46 -10.489 -9.338 -3.348 278 HA GLN 46 HA GLN 46 -9.044 -11.858 -2.882 279 HB3 GLN 46 2HB GLN 46 -10.317 -11.906 -1.089 280 HG3 GLN 46 2HG GLN 46 -12.014 -10.246 -1.596 281 HE21 GLN 46 1HE2 GLN 46 -13.512 -9.513 -3.068 282 HE22 GLN 46 2HE2 GLN 46 -14.619 -10.556 -3.932 283 H SER 47 H SER 47 -8.536 -11.098 -5.029 284 HA SER 47 HA SER 47 -9.651 -13.118 -6.738 285 HB3 SER 47 2HB SER 47 -9.657 -11.527 -8.761 286 HG SER 47 HG SER 47 -11.669 -10.782 -6.933 287 H SER 48 H SER 48 -8.155 -13.580 -8.506 288 HA SER 48 HA SER 48 -6.126 -13.854 -9.449 289 HB3 SER 48 2HB SER 48 -5.514 -11.792 -10.594 290 HG SER 48 HG SER 48 -7.734 -11.137 -11.132 291 H GLN 49 H GLN 49 -3.837 -11.832 -9.360 292 HA GLN 49 HA GLN 49 -2.788 -12.117 -6.694 293 HB3 GLN 49 2HB GLN 49 -1.370 -13.553 -8.976 294 HG3 GLN 49 2HG GLN 49 -0.911 -13.341 -6.001 295 HE21 GLN 49 1HE2 GLN 49 1.560 -15.128 -6.801 296 HE22 GLN 49 2HE2 GLN 49 0.917 -16.747 -6.587 297 H ALA 50 H ALA 50 -0.374 -11.195 -6.787 298 HA ALA 50 HA ALA 50 -0.538 -8.749 -8.451 299 HB1 ALA 50 1HB ALA 50 -0.337 -8.662 -5.801 300 HB2 ALA 50 2HB ALA 50 1.368 -9.002 -6.148 301 HB3 ALA 50 3HB ALA 50 0.603 -7.558 -6.818 302 H SER 51 H SER 51 2.029 -7.904 -8.489 303 HA SER 51 HA SER 51 3.899 -9.991 -9.135 304 HB3 SER 51 2HB SER 51 4.242 -9.467 -11.419 305 HG SER 51 HG SER 51 2.237 -10.413 -11.463 306 H GLY 52 H GLY 52 5.705 -9.122 -7.938 307 HA2 GLY 52 1HA GLY 52 7.047 -6.870 -8.075 308 HA3 GLY 52 2HA GLY 52 5.599 -6.237 -7.291 309 H GLU 53 H GLU 53 8.599 -7.553 -6.726 310 HA GLU 53 HA GLU 53 8.231 -7.987 -3.869 311 HB3 GLU 53 2HB GLU 53 7.549 -10.113 -4.648 312 HG3 GLU 53 2HG GLU 53 8.975 -11.640 -5.979 313 HA PRO 54 HA PRO 54 12.574 -6.748 -4.150 314 HB3 PRO 54 2HB PRO 54 12.810 -6.612 -1.892 315 HG3 PRO 54 2HG PRO 54 11.440 -7.886 -0.504 316 HD3 PRO 54 2HD PRO 54 9.717 -7.532 -1.992 317 H LYS 55 H LYS 55 14.782 -8.413 -3.656 318 HA LYS 55 HA LYS 55 14.792 -10.052 -6.109 319 HB3 LYS 55 2HB LYS 55 17.141 -9.856 -6.078 320 HG3 LYS 55 2HG LYS 55 16.309 -7.146 -4.917 321 HD3 LYS 55 2HD LYS 55 18.784 -7.721 -5.264 322 HE3 LYS 55 2HE LYS 55 18.296 -8.896 -7.517 323 HZ1 LYS 55 3HZ LYS 55 17.028 -6.976 -8.435 324 HZ2 LYS 55 1HZ LYS 55 18.248 -7.514 -9.389 325 HZ3 LYS 55 2HZ LYS 55 18.457 -6.128 -8.537 326 H SER 56 H SER 56 13.321 -10.995 -4.249 327 HA SER 56 HA SER 56 12.719 -12.922 -3.107 328 HB3 SER 56 2HB SER 56 15.507 -13.856 -3.870 329 HG SER 56 HG SER 56 14.641 -15.902 -3.527 330 H SER 57 H SER 57 12.415 -11.557 -1.323 331 HA SER 57 HA SER 57 14.001 -12.326 0.979 332 HB3 SER 57 2HB SER 57 14.082 -10.104 1.930 333 HG SER 57 HG SER 57 15.704 -9.269 0.903 334 H THR 58 H THR 58 11.146 -12.727 -0.278 335 HA THR 58 HA THR 58 9.544 -11.577 1.962 336 HB THR 58 HB THR 58 8.872 -11.673 -0.983 337 HG1 THR 58 1HG THR 58 9.249 -9.450 0.749 338 HG21 THR 58 3HG2 THR 58 6.823 -11.931 0.386 339 HG22 THR 58 1HG2 THR 58 6.897 -10.372 -0.420 340 HG23 THR 58 2HG2 THR 58 7.256 -10.489 1.324 341 HA PRO 59 HA PRO 59 8.622 -16.046 1.867 342 HB3 PRO 59 2HB PRO 59 10.452 -16.563 3.176 343 HG3 PRO 59 2HG PRO 59 11.285 -15.035 4.804 344 HD3 PRO 59 2HD PRO 59 11.342 -13.779 2.850 345 H ALA 60 H ALA 60 6.807 -14.452 1.498 346 HA ALA 60 HA ALA 60 4.578 -15.260 3.072 347 HB1 ALA 60 1HB ALA 60 5.038 -13.396 4.553 348 HB2 ALA 60 2HB ALA 60 5.267 -12.283 3.172 349 HB3 ALA 60 3HB ALA 60 3.667 -12.961 3.528 350 H GLN 61 H GLN 61 3.995 -16.107 1.058 351 HA GLN 61 HA GLN 61 3.918 -14.557 -1.372 352 HB3 GLN 61 2HB GLN 61 4.039 -16.970 -1.376 353 HG3 GLN 61 2HG GLN 61 1.109 -17.114 -0.613 354 HE21 GLN 61 1HE2 GLN 61 1.581 -18.677 -2.591 355 HE22 GLN 61 2HE2 GLN 61 2.103 -20.294 -2.152 356 H LEU 62 H LEU 62 2.217 -13.234 -2.242 357 HA LEU 62 HA LEU 62 -0.221 -13.012 -0.665 358 HB3 LEU 62 2HB LEU 62 -0.098 -10.990 0.121 359 HG LEU 62 HG LEU 62 2.258 -11.887 0.685 360 HD11 LEU 62 1HD1 LEU 62 2.940 -11.437 -1.722 361 HD12 LEU 62 2HD1 LEU 62 4.107 -10.874 -0.506 362 HD13 LEU 62 3HD1 LEU 62 2.986 -9.732 -1.359 363 HD21 LEU 62 3HD2 LEU 62 1.223 -9.841 1.790 364 HD22 LEU 62 1HD2 LEU 62 2.150 -8.859 0.612 365 HD23 LEU 62 2HD2 LEU 62 2.983 -9.906 1.754 366 H ALA 63 H ALA 63 -1.896 -11.699 -1.751 367 HA ALA 63 HA ALA 63 -1.534 -11.378 -4.651 368 HB1 ALA 63 1HB ALA 63 -3.627 -13.034 -3.194 369 HB2 ALA 63 2HB ALA 63 -3.924 -12.398 -4.813 370 HB3 ALA 63 3HB ALA 63 -2.590 -13.538 -4.518 371 H PHE 64 H PHE 64 -1.732 -9.227 -4.851 372 HA PHE 64 HA PHE 64 -3.978 -7.799 -3.502 373 HB3 PHE 64 2HB PHE 64 -2.398 -5.960 -3.139 374 HD1 PHE 64 1HD PHE 64 -3.635 -8.267 -1.409 375 HD2 PHE 64 2HD PHE 64 0.377 -6.650 -1.729 376 HE1 PHE 64 1HE PHE 64 -3.136 -8.992 0.887 377 HE2 PHE 64 2HE PHE 64 0.795 -7.273 0.540 378 HZ PHE 64 HZ PHE 64 -0.866 -8.577 1.847 379 H MET 65 H MET 65 -4.694 -5.954 -4.657 380 HA MET 65 HA MET 65 -4.655 -6.419 -7.486 381 HB3 MET 65 2HB MET 65 -5.986 -4.141 -5.960 382 HG3 MET 65 2HG MET 65 -6.329 -5.350 -8.705 383 HE1 MET 65 3HE MET 65 -8.508 -2.401 -7.880 384 HE2 MET 65 1HE MET 65 -9.882 -3.076 -6.985 385 HE3 MET 65 2HE MET 65 -8.280 -3.050 -6.230 386 H ARG 66 H ARG 66 -2.225 -4.955 -6.013 387 HA ARG 66 HA ARG 66 -0.779 -3.149 -6.407 388 HB3 ARG 66 2HB ARG 66 0.095 -4.951 -7.695 389 HG3 ARG 66 2HG ARG 66 -0.302 -4.496 -10.339 390 HD3 ARG 66 2HD ARG 66 -2.371 -6.373 -9.737 391 HE ARG 66 HE ARG 66 0.272 -7.504 -10.104 392 HH11 ARG 66 1HH1 ARG 66 -2.340 -5.860 -11.861 393 HH12 ARG 66 2HH1 ARG 66 -1.648 -6.168 -13.419 394 HH21 ARG 66 1HH2 ARG 66 1.052 -8.146 -12.120 395 HH22 ARG 66 2HH2 ARG 66 0.410 -7.475 -13.548 396 H VAL 67 H VAL 67 -2.744 -1.701 -6.019 397 HA VAL 67 HA VAL 67 -3.964 -0.326 -8.169 398 HB VAL 67 HB VAL 67 -4.548 1.410 -6.457 399 HG11 VAL 67 1HG1 VAL 67 -5.115 -1.465 -5.615 400 HG12 VAL 67 2HG1 VAL 67 -6.040 0.004 -5.196 401 HG13 VAL 67 3HG1 VAL 67 -5.991 -0.553 -6.859 402 HG21 VAL 67 3HG2 VAL 67 -4.019 1.044 -4.106 403 HG22 VAL 67 1HG2 VAL 67 -3.049 -0.391 -4.494 404 HG23 VAL 67 2HG2 VAL 67 -2.514 1.211 -5.026 405 H TYR 68 H TYR 68 -0.748 -0.067 -7.049 406 HA TYR 68 HA TYR 68 -0.128 2.598 -7.817 407 HB3 TYR 68 2HB TYR 68 1.568 0.078 -7.672 408 HD1 TYR 68 1HD TYR 68 1.679 3.663 -6.614 409 HD2 TYR 68 2HD TYR 68 3.618 0.534 -8.871 410 HE1 TYR 68 1HE TYR 68 3.414 5.220 -7.270 411 HE2 TYR 68 2HE TYR 68 5.442 2.102 -9.496 412 HH TYR 68 HH TYR 68 5.551 5.460 -8.250 413 H CYS 69 H CYS 69 1.829 2.604 -9.632 414 HA CYS 69 HA CYS 69 2.182 3.042 -11.784 415 HB3 CYS 69 2HB CYS 69 1.657 1.420 -13.498 416 HG CYS 69 HG CYS 69 3.757 1.069 -12.071 417 H GLY 70 H GLY 70 0.401 4.573 -10.533 418 HA2 GLY 70 1HA GLY 70 -2.041 4.859 -12.203 419 HA3 GLY 70 2HA GLY 70 -1.601 5.888 -10.831 420 HA PRO 71 HA PRO 71 -0.069 7.560 -15.070 421 HB3 PRO 71 2HB PRO 71 -2.081 7.693 -16.189 422 HG3 PRO 71 2HG PRO 71 -4.141 7.913 -14.987 423 HD3 PRO 71 2HD PRO 71 -3.048 6.020 -14.117 424 H SER 72 H SER 72 -1.321 9.000 -12.097 425 HA SER 72 HA SER 72 1.030 10.751 -12.113 426 HB3 SER 72 2HB SER 72 -0.567 12.328 -12.620 427 HG SER 72 HG SER 72 -2.394 10.706 -11.571 428 HA PRO 73 HA PRO 73 1.503 8.894 -8.057 429 HB3 PRO 73 2HB PRO 73 3.734 9.613 -8.181 430 HG3 PRO 73 2HG PRO 73 4.280 11.732 -9.103 431 HD3 PRO 73 2HD PRO 73 3.018 10.644 -10.759 432 H SER 74 H SER 74 1.451 9.649 -5.661 433 HA SER 74 HA SER 74 -0.083 9.990 -4.003 434 HB3 SER 74 2HB SER 74 1.044 12.006 -3.808 435 HG SER 74 HG SER 74 -0.713 13.063 -5.753 436 H CYS 75 H CYS 75 -1.074 8.623 -6.090 437 HA CYS 75 HA CYS 75 -3.322 9.718 -7.381 438 HB3 CYS 75 2HB CYS 75 -2.337 8.074 -8.619 439 HG CYS 75 HG CYS 75 -2.204 6.236 -5.908 440 H LEU 76 H LEU 76 -5.293 10.018 -6.696 441 HA LEU 76 HA LEU 76 -6.686 8.730 -4.574 442 HB3 LEU 76 2HB LEU 76 -7.977 9.707 -7.145 443 HG LEU 76 HG LEU 76 -8.603 10.084 -4.180 444 HD11 LEU 76 1HD1 LEU 76 -9.673 11.668 -6.544 445 HD12 LEU 76 2HD1 LEU 76 -8.690 12.288 -5.208 446 HD13 LEU 76 3HD1 LEU 76 -10.341 11.722 -4.911 447 HD21 LEU 76 3HD2 LEU 76 -10.288 9.085 -6.522 448 HD22 LEU 76 1HD2 LEU 76 -10.927 9.426 -4.909 449 HD23 LEU 76 2HD2 LEU 76 -9.744 8.142 -5.119 450 H VAL 77 H VAL 77 -8.089 6.939 -4.705 451 HA VAL 77 HA VAL 77 -7.856 5.069 -7.021 452 HB VAL 77 HB VAL 77 -7.855 4.615 -4.008 453 HG11 VAL 77 1HG1 VAL 77 -7.967 2.180 -4.407 454 HG12 VAL 77 2HG1 VAL 77 -9.423 3.010 -4.958 455 HG13 VAL 77 3HG1 VAL 77 -8.213 2.491 -6.149 456 HG21 VAL 77 3HG2 VAL 77 -5.789 3.353 -4.414 457 HG22 VAL 77 1HG2 VAL 77 -5.912 3.689 -6.164 458 HG23 VAL 77 2HG2 VAL 77 -5.665 5.023 -5.020 459 H GLN 78 H GLN 78 -9.816 5.048 -8.001 460 HA GLN 78 HA GLN 78 -12.187 6.194 -6.884 461 HB3 GLN 78 2HB GLN 78 -13.227 5.143 -8.933 462 HG3 GLN 78 2HG GLN 78 -10.650 6.725 -9.282 463 HE21 GLN 78 1HE2 GLN 78 -10.156 5.105 -11.068 464 HE22 GLN 78 2HE2 GLN 78 -10.953 5.320 -12.614 465 H SER 79 H SER 79 -14.243 5.074 -6.333 466 HA SER 79 HA SER 79 -13.831 3.019 -4.558 467 HB3 SER 79 2HB SER 79 -15.590 4.946 -4.785 468 HG SER 79 HG SER 79 -17.584 3.342 -5.126 469 H SER 80 H SER 80 -14.465 2.866 -7.994 470 HA SER 80 HA SER 80 -15.490 0.335 -8.364 471 HB3 SER 80 2HB SER 80 -14.805 0.643 -10.578 472 HG SER 80 HG SER 80 -14.801 2.997 -10.898 473 H SER 81 H SER 81 -12.177 1.267 -7.517 474 HA SER 81 HA SER 81 -11.075 -1.447 -7.622 475 HB3 SER 81 2HB SER 81 -9.212 -0.333 -6.320 476 HG SER 81 HG SER 81 -10.099 0.591 -8.851 477 H LEU 82 H LEU 82 -12.497 0.724 -5.144 478 HA LEU 82 HA LEU 82 -11.740 -0.844 -2.862 479 HB3 LEU 82 2HB LEU 82 -13.670 0.513 -1.797 480 HG LEU 82 HG LEU 82 -12.451 2.763 -2.281 481 HD11 LEU 82 1HD1 LEU 82 -12.251 1.458 -0.141 482 HD12 LEU 82 2HD1 LEU 82 -10.648 2.054 -0.630 483 HD13 LEU 82 3HD1 LEU 82 -11.086 0.377 -0.938 484 HD21 LEU 82 3HD2 LEU 82 -10.262 2.796 -2.763 485 HD22 LEU 82 1HD2 LEU 82 -11.223 2.251 -4.153 486 HD23 LEU 82 2HD2 LEU 82 -10.231 1.068 -3.231 487 H SER 83 H SER 83 -14.519 -0.879 -4.981 488 HA SER 83 HA SER 83 -16.278 -2.638 -3.792 489 HB3 SER 83 2HB SER 83 -15.446 -3.127 -6.657 490 HG SER 83 HG SER 83 -17.401 -4.045 -6.199 491 H ASN 84 H ASN 84 -13.034 -3.419 -4.997 492 HA ASN 84 HA ASN 84 -13.372 -6.326 -4.622 493 HB3 ASN 84 2HB ASN 84 -11.231 -6.581 -5.622 494 HD21 ASN 84 1HD2 ASN 84 -11.986 -3.311 -6.657 495 HD22 ASN 84 2HD2 ASN 84 -12.586 -3.635 -8.247 496 H ALA 85 H ALA 85 -12.342 -3.617 -2.740 497 HA ALA 85 HA ALA 85 -9.978 -4.657 -1.518 498 HB1 ALA 85 1HB ALA 85 -10.240 -2.775 0.044 499 HB2 ALA 85 2HB ALA 85 -10.439 -2.239 -1.636 500 HB3 ALA 85 3HB ALA 85 -11.861 -2.450 -0.581 501 H HIS 86 H HIS 86 -9.811 -6.147 0.024 502 HA HIS 86 HA HIS 86 -12.275 -7.010 1.425 503 HB3 HIS 86 2HB HIS 86 -9.779 -8.670 1.557 504 HD1 HIS 86 1HD HIS 86 -10.604 -11.176 2.192 505 HD2 HIS 86 2HD HIS 86 -13.589 -8.619 0.692 506 HE1 HIS 86 1HE HIS 86 -12.805 -12.383 2.476 507 H ILE 87 H ILE 87 -12.216 -7.354 3.688 508 HA ILE 87 HA ILE 87 -10.657 -5.143 4.874 509 HB ILE 87 HB ILE 87 -13.281 -6.433 5.710 510 HG13 ILE 87 2HG1 ILE 87 -14.387 -4.394 4.831 511 HG21 ILE 87 1HG2 ILE 87 -12.062 -3.823 6.690 512 HG22 ILE 87 2HG2 ILE 87 -13.661 -4.468 7.115 513 HG23 ILE 87 3HG2 ILE 87 -12.203 -5.326 7.624 514 HD11 ILE 87 3HD1 ILE 87 -12.528 -2.747 4.724 515 HD12 ILE 87 1HD1 ILE 87 -11.716 -3.755 3.500 516 HD13 ILE 87 2HD1 ILE 87 -13.267 -3.009 3.132 517 H ASP 88 H ASP 88 -9.586 -5.235 6.673 518 HA ASP 88 HA ASP 88 -8.346 -7.595 7.615 519 HB3 ASP 88 2HB ASP 88 -8.619 -4.821 8.832 520 H TYR 89 H TYR 89 -9.456 -9.144 8.590 521 HA TYR 89 HA TYR 89 -11.249 -8.426 10.852 522 HB3 TYR 89 2HB TYR 89 -11.830 -11.043 10.250 523 HD1 TYR 89 2HD TYR 89 -12.731 -7.869 8.350 524 HD2 TYR 89 1HD TYR 89 -14.066 -10.987 11.031 525 HE1 TYR 89 2HE TYR 89 -15.020 -6.918 8.337 526 HE2 TYR 89 1HE TYR 89 -16.321 -10.039 11.023 527 HH TYR 89 HH TYR 89 -17.342 -7.291 9.019 528 H THR 90 H THR 90 -8.191 -8.863 10.481 529 HA THR 90 HA THR 90 -7.813 -11.050 12.443 530 HB THR 90 HB THR 90 -5.476 -10.966 11.756 531 HG1 THR 90 1HG THR 90 -6.280 -8.786 10.198 532 HG21 THR 90 3HG2 THR 90 -7.288 -11.259 9.338 533 HG22 THR 90 1HG2 THR 90 -7.103 -12.481 10.619 534 HG23 THR 90 2HG2 THR 90 -5.716 -12.035 9.595 535 H THR 91 H THR 91 -7.575 -7.620 12.005 536 HA THR 91 HA THR 91 -6.888 -7.402 14.892 537 HB THR 91 HB THR 91 -5.925 -5.021 13.790 538 HG1 THR 91 1HG THR 91 -5.848 -6.086 11.714 539 HG21 THR 91 3HG2 THR 91 -4.891 -6.209 15.668 540 HG22 THR 91 1HG2 THR 91 -3.685 -5.923 14.416 541 HG23 THR 91 2HG2 THR 91 -4.409 -7.533 14.595 542 H LYS 92 H LYS 92 -8.002 -4.943 12.399 543 HA LYS 92 HA LYS 92 -10.527 -4.722 13.877 544 HB3 LYS 92 2HB LYS 92 -10.287 -2.266 14.025 545 HG3 LYS 92 2HG LYS 92 -7.831 -3.265 15.432 546 HD3 LYS 92 2HD LYS 92 -8.894 -2.174 17.386 547 HE3 LYS 92 2HE LYS 92 -9.044 -0.253 15.032 548 HZ1 LYS 92 3HZ LYS 92 -9.087 1.380 16.599 549 HZ2 LYS 92 1HZ LYS 92 -8.151 0.564 17.661 550 HZ3 LYS 92 2HZ LYS 92 -9.769 0.219 17.529 551 HA PRO 93 HA PRO 93 -11.955 -4.455 9.805 552 HB3 PRO 93 2HB PRO 93 -14.111 -4.503 10.463 553 HG3 PRO 93 2HG PRO 93 -14.748 -3.506 12.509 554 HD3 PRO 93 2HD PRO 93 -12.730 -4.623 13.146 555 H ALA 94 H ALA 94 -10.298 -3.531 8.688 556 HA ALA 94 HA ALA 94 -10.603 -0.748 7.752 557 HB1 ALA 94 1HB ALA 94 -9.061 -0.603 9.606 558 HB2 ALA 94 2HB ALA 94 -8.125 -2.010 9.044 559 HB3 ALA 94 3HB ALA 94 -8.114 -0.504 8.108 560 H ILE 95 H ILE 95 -9.159 -0.453 5.813 561 HA ILE 95 HA ILE 95 -8.815 -2.974 4.263 562 HB ILE 95 HB ILE 95 -8.448 -0.038 3.556 563 HG13 ILE 95 2HG1 ILE 95 -10.829 -1.031 3.809 564 HG21 ILE 95 1HG2 ILE 95 -6.799 -1.402 2.312 565 HG22 ILE 95 2HG2 ILE 95 -8.081 -2.541 1.845 566 HG23 ILE 95 3HG2 ILE 95 -8.065 -0.872 1.227 567 HD11 ILE 95 3HD1 ILE 95 -11.403 -0.419 1.296 568 HD12 ILE 95 1HD1 ILE 95 -11.105 0.806 2.548 569 HD13 ILE 95 2HD1 ILE 95 -9.832 0.378 1.379 570 H ILE 96 H ILE 96 -6.839 -3.987 4.253 571 HA ILE 96 HA ILE 96 -4.517 -2.698 5.552 572 HB ILE 96 HB ILE 96 -4.618 -5.346 4.040 573 HG13 ILE 96 2HG1 ILE 96 -4.541 -6.501 6.186 574 HG21 ILE 96 1HG2 ILE 96 -2.367 -4.574 4.063 575 HG22 ILE 96 2HG2 ILE 96 -2.487 -3.982 5.730 576 HG23 ILE 96 3HG2 ILE 96 -2.466 -5.723 5.402 577 HD11 ILE 96 3HD1 ILE 96 -5.033 -5.446 8.290 578 HD12 ILE 96 1HD1 ILE 96 -3.645 -4.596 7.617 579 HD13 ILE 96 2HD1 ILE 96 -5.268 -3.866 7.513 580 H PHE 97 H PHE 97 -2.996 -1.662 4.493 581 HA PHE 97 HA PHE 97 -2.816 -1.831 1.530 582 HB3 PHE 97 2HB PHE 97 -1.831 0.517 1.738 583 HD1 PHE 97 1HD PHE 97 -3.362 0.419 -0.253 584 HD2 PHE 97 2HD PHE 97 -4.885 0.814 3.762 585 HE1 PHE 97 1HE PHE 97 -5.503 1.309 -1.158 586 HE2 PHE 97 2HE PHE 97 -6.990 1.758 2.860 587 HZ PHE 97 HZ PHE 97 -7.275 2.097 0.456 588 H ARG 98 H ARG 98 -0.742 -2.208 0.810 589 HA ARG 98 HA ARG 98 1.475 -2.408 2.808 590 HB3 ARG 98 2HB ARG 98 2.051 -3.900 0.486 591 HG3 ARG 98 2HG ARG 98 2.682 -4.534 2.741 592 HD3 ARG 98 2HD ARG 98 -0.071 -5.758 3.146 593 HE ARG 98 HE ARG 98 2.313 -5.317 4.921 594 HH11 ARG 98 1HH1 ARG 98 -0.349 -7.613 4.030 595 HH12 ARG 98 2HH1 ARG 98 0.457 -8.876 4.938 596 HH21 ARG 98 1HH2 ARG 98 3.084 -6.973 6.135 597 HH22 ARG 98 2HH2 ARG 98 2.236 -8.476 6.262 598 H ILE 99 H ILE 99 2.931 -0.824 2.443 599 HA ILE 99 HA ILE 99 3.355 0.114 -0.352 600 HB ILE 99 HB ILE 99 3.295 1.900 2.110 601 HG13 ILE 99 2HG1 ILE 99 1.067 1.109 0.401 602 HG21 ILE 99 1HG2 ILE 99 3.622 2.705 -0.814 603 HG22 ILE 99 2HG2 ILE 99 3.614 3.781 0.587 604 HG23 ILE 99 3HG2 ILE 99 4.934 2.638 0.360 605 HD11 ILE 99 3HD1 ILE 99 -0.214 2.607 1.870 606 HD12 ILE 99 1HD1 ILE 99 0.884 1.589 2.823 607 HD13 ILE 99 2HD1 ILE 99 1.295 3.297 2.500 608 H ALA 100 H ALA 100 5.509 0.154 -0.889 609 HA ALA 100 HA ALA 100 7.529 0.158 1.228 610 HB1 ALA 100 1HB ALA 100 7.275 -2.085 -0.860 611 HB2 ALA 100 2HB ALA 100 8.670 -1.852 0.210 612 HB3 ALA 100 3HB ALA 100 7.085 -2.275 0.890 613 H ALA 101 H ALA 101 9.515 0.842 0.523 614 HA ALA 101 HA ALA 101 9.512 2.638 -1.753 615 HB1 ALA 101 1HB ALA 101 10.594 3.167 0.426 616 HB2 ALA 101 2HB ALA 101 11.746 1.831 0.165 617 HB3 ALA 101 3HB ALA 101 11.715 3.222 -0.939 618 H ARG 102 H ARG 102 10.086 2.118 -3.821 619 HA ARG 102 HA ARG 102 11.694 -0.317 -4.315 620 HB3 ARG 102 2HB ARG 102 10.776 1.718 -6.331 621 HG3 ARG 102 2HG ARG 102 12.402 0.162 -7.215 622 HD3 ARG 102 2HD ARG 102 10.833 -1.876 -5.834 623 HE ARG 102 HE ARG 102 10.448 -1.953 -8.623 624 HH11 ARG 102 1HH1 ARG 102 11.723 -4.122 -6.113 625 HH12 ARG 102 2HH1 ARG 102 11.008 -5.564 -6.746 626 HH21 ARG 102 1HH2 ARG 102 9.678 -3.950 -9.606 627 HH22 ARG 102 2HH2 ARG 102 9.974 -5.485 -8.845 628 H ASN 103 H ASN 103 13.365 0.493 -2.998 629 HA ASN 103 HA ASN 103 15.050 2.535 -4.372 630 HB3 ASN 103 2HB ASN 103 14.928 3.075 -2.045 631 HD21 ASN 103 1HD2 ASN 103 15.125 -0.491 -2.244 632 HD22 ASN 103 2HD2 ASN 103 15.220 -0.677 -0.523 633 H GLU 104 H GLU 104 17.308 1.940 -4.591 634 HA GLU 104 HA GLU 104 17.505 -0.064 -6.398 635 HB3 GLU 104 2HB GLU 104 20.142 0.082 -5.689 636 HG3 GLU 104 2HG GLU 104 18.638 2.407 -6.896 637 H LYS 105 H LYS 105 17.569 -0.752 -3.095 638 HA LYS 105 HA LYS 105 19.083 -3.285 -3.414 639 HB3 LYS 105 2HB LYS 105 18.956 -3.564 -1.068 640 HG3 LYS 105 2HG LYS 105 19.838 -1.539 -0.046 641 HD3 LYS 105 2HD LYS 105 20.888 -1.673 -2.904 642 HE3 LYS 105 2HE LYS 105 22.381 -1.095 -0.328 643 HZ1 LYS 105 3HZ LYS 105 22.903 -0.235 -3.104 644 HZ2 LYS 105 1HZ LYS 105 23.645 -1.522 -2.390 645 HZ3 LYS 105 2HZ LYS 105 23.854 0.030 -1.809 646 H GLY 106 H GLY 106 15.772 -2.319 -3.691 647 HA2 GLY 106 1HA GLY 106 14.269 -4.096 -4.485 648 HA3 GLY 106 2HA GLY 106 14.873 -5.101 -3.132 649 H TYR 107 H TYR 107 12.194 -4.824 -3.291 650 HA TYR 107 HA TYR 107 11.198 -2.834 -1.376 651 HB3 TYR 107 2HB TYR 107 9.183 -4.348 -1.373 652 HD1 TYR 107 1HD TYR 107 9.552 -1.703 -2.292 653 HD2 TYR 107 2HD TYR 107 8.953 -5.308 -4.573 654 HE1 TYR 107 1HE TYR 107 8.554 -0.383 -4.139 655 HE2 TYR 107 2HE TYR 107 8.031 -3.988 -6.451 656 HH TYR 107 HH TYR 107 6.867 -1.468 -6.537 657 H GLY 108 H GLY 108 13.253 -3.530 -0.147 658 HA2 GLY 108 1HA GLY 108 13.288 -6.008 1.309 659 HA3 GLY 108 2HA GLY 108 14.239 -4.546 1.701 660 HA PRO 109 HA PRO 109 11.290 -3.567 4.948 661 HB3 PRO 109 2HB PRO 109 12.270 -1.454 5.153 662 HG3 PRO 109 2HG PRO 109 12.663 -0.069 3.205 663 HD3 PRO 109 2HD PRO 109 13.860 -2.101 2.874 664 H ALA 110 H ALA 110 8.981 -3.268 5.314 665 HA ALA 110 HA ALA 110 7.253 -2.516 3.079 666 HB1 ALA 110 1HB ALA 110 6.972 -5.176 4.563 667 HB2 ALA 110 2HB ALA 110 5.768 -4.464 3.477 668 HB3 ALA 110 3HB ALA 110 7.343 -4.976 2.832 669 H THR 111 H THR 111 5.903 -0.966 4.023 670 HA THR 111 HA THR 111 5.454 -1.144 6.959 671 HB THR 111 HB THR 111 4.827 1.108 5.023 672 HG1 THR 111 1HG THR 111 6.595 2.039 6.271 673 HG21 THR 111 3HG2 THR 111 4.489 2.447 7.068 674 HG22 THR 111 1HG2 THR 111 4.817 1.028 8.084 675 HG23 THR 111 2HG2 THR 111 3.364 1.082 7.068 676 H GLN 112 H GLN 112 3.904 -2.512 7.391 677 HA GLN 112 HA GLN 112 1.524 -2.826 5.721 678 HB3 GLN 112 2HB GLN 112 1.964 -3.542 8.674 679 HG3 GLN 112 2HG GLN 112 -0.009 -4.392 6.534 680 HE21 GLN 112 1HE2 GLN 112 -1.335 -6.247 6.952 681 HE22 GLN 112 2HE2 GLN 112 -0.690 -7.522 7.966 682 H VAL 113 H VAL 113 -0.154 -1.368 5.716 683 HA VAL 113 HA VAL 113 -0.454 0.546 7.964 684 HB VAL 113 HB VAL 113 -0.831 1.001 4.958 685 HG11 VAL 113 1HG1 VAL 113 -2.524 2.279 6.138 686 HG12 VAL 113 2HG1 VAL 113 -1.313 2.919 7.280 687 HG13 VAL 113 3HG1 VAL 113 -1.284 3.380 5.567 688 HG21 VAL 113 3HG2 VAL 113 1.214 2.206 6.871 689 HG22 VAL 113 1HG2 VAL 113 1.534 1.100 5.503 690 HG23 VAL 113 2HG2 VAL 113 0.943 2.720 5.191 691 H ARG 114 H ARG 114 -2.728 1.024 8.378 692 HA ARG 114 HA ARG 114 -4.624 -0.512 6.739 693 HB3 ARG 114 2HB ARG 114 -5.933 -1.266 8.461 694 HG3 ARG 114 2HG ARG 114 -3.387 -2.254 8.597 695 HD3 ARG 114 2HD ARG 114 -3.026 -0.563 10.594 696 HE ARG 114 HE ARG 114 -5.282 -2.032 11.490 697 HH11 ARG 114 1HH1 ARG 114 -2.171 -1.094 12.947 698 HH12 ARG 114 2HH1 ARG 114 -2.600 -1.719 14.499 699 HH21 ARG 114 1HH2 ARG 114 -5.927 -2.504 13.460 700 HH22 ARG 114 2HH2 ARG 114 -4.996 -2.062 14.895 701 H TRP 115 H TRP 115 -6.664 0.548 6.586 702 HA TRP 115 HA TRP 115 -6.659 3.459 7.256 703 HB3 TRP 115 2HB TRP 115 -8.129 1.879 5.127 704 HD1 TRP 115 HD TRP 115 -8.020 5.329 6.806 705 HE1 TRP 115 1HE TRP 115 -9.811 6.791 5.787 706 HE3 TRP 115 3HE TRP 115 -9.374 2.331 2.927 707 HZ2 TRP 115 2HZ TRP 115 -11.581 6.738 3.472 708 HZ3 TRP 115 3HZ TRP 115 -10.949 3.189 1.137 709 HH2 TRP 115 HH TRP 115 -12.091 5.406 1.474 710 H LEU 116 H LEU 116 -7.444 3.337 9.331 711 HA LEU 116 HA LEU 116 -9.741 1.593 10.010 712 HB3 LEU 116 2HB LEU 116 -9.591 2.478 12.225 713 HG LEU 116 HG LEU 116 -6.638 2.359 11.531 714 HD11 LEU 116 1HD1 LEU 116 -6.467 1.571 13.856 715 HD12 LEU 116 2HD1 LEU 116 -8.242 1.658 14.024 716 HD13 LEU 116 3HD1 LEU 116 -7.289 3.137 13.785 717 HD21 LEU 116 3HD2 LEU 116 -6.821 -0.099 12.194 718 HD22 LEU 116 1HD2 LEU 116 -7.414 0.332 10.608 719 HD23 LEU 116 2HD2 LEU 116 -8.580 0.040 11.930 720 H GLN 117 H GLN 117 -11.559 2.780 11.180 721 HA GLN 117 HA GLN 117 -13.203 4.255 11.397 722 HB3 GLN 117 2HB GLN 117 -12.061 6.290 9.488 723 HG3 GLN 117 2HG GLN 117 -13.538 6.370 12.153 724 HE21 GLN 117 1HE2 GLN 117 -13.467 9.332 10.381 725 HE22 GLN 117 2HE2 GLN 117 -12.124 10.092 11.209 726 H GLU 118 H GLU 118 -12.480 2.358 8.978 727 HA GLU 118 HA GLU 118 -14.840 3.091 7.336 728 HB3 GLU 118 2HB GLU 118 -14.320 1.013 6.070 729 HG3 GLU 118 2HG GLU 118 -12.751 1.905 4.747 730 H THR 119 H THR 119 -16.434 1.501 6.906 731 HA THR 119 HA THR 119 -17.219 -0.442 8.916 732 HB THR 119 HB THR 119 -19.564 0.647 8.816 733 HG1 THR 119 1HG THR 119 -18.572 3.170 8.661 734 HG21 THR 119 3HG2 THR 119 -19.238 2.037 10.715 735 HG22 THR 119 1HG2 THR 119 -17.486 2.166 10.409 736 HG23 THR 119 2HG2 THR 119 -18.224 0.609 10.859 737 H SER 120 H SER 120 -19.266 -1.575 7.922 738 HA SER 120 HA SER 120 -18.674 -2.622 5.527 739 HB3 SER 120 2HB SER 120 -20.747 -3.737 5.582 740 HG SER 120 HG SER 120 -21.170 -4.017 7.849 741 H LYS 121 H LYS 121 -21.296 -0.254 5.985 742 HA LYS 121 HA LYS 121 -22.531 1.013 4.647 743 HB3 LYS 121 2HB LYS 121 -20.157 1.716 2.946 744 HG3 LYS 121 2HG LYS 121 -22.095 3.502 4.515 745 HD3 LYS 121 2HD LYS 121 -19.927 3.986 2.467 746 HE3 LYS 121 2HE LYS 121 -22.219 5.907 3.048 747 HZ1 LYS 121 3HZ LYS 121 -20.160 5.916 0.907 748 HZ2 LYS 121 1HZ LYS 121 -20.288 7.009 2.146 749 HZ3 LYS 121 2HZ LYS 121 -21.450 6.909 0.994 750 H ASP 122 H ASP 122 -22.947 1.683 2.142 751 HA ASP 122 HA ASP 122 -22.731 -0.410 0.192 752 HB3 ASP 122 2HB ASP 122 -24.534 -1.381 1.504 753 H SER 123 H SER 123 -22.205 0.940 -1.501 754 HA SER 123 HA SER 123 -23.927 2.882 -2.578 755 HB3 SER 123 2HB SER 123 -21.315 4.084 -1.559 756 HG SER 123 HG SER 123 -22.119 5.656 -2.659 757 H SER 124 H SER 124 -22.982 3.526 -4.738 758 HA SER 124 HA SER 124 -20.450 2.130 -5.455 759 HB3 SER 124 2HB SER 124 -22.796 2.474 -7.330 760 HG SER 124 HG SER 124 -21.626 0.449 -8.017 761 H GLY 125 H GLY 125 -20.154 3.139 -7.973 762 HA2 GLY 125 1HA GLY 125 -19.803 6.083 -7.552 763 HA3 GLY 125 2HA GLY 125 -18.491 5.062 -8.106 764 H THR 126 H THR 126 -18.205 5.229 -10.334 765 HA THR 126 HA THR 126 -20.433 5.170 -12.148 766 HB THR 126 HB THR 126 -20.070 7.595 -11.351 767 HG1 THR 126 1HG THR 126 -21.252 7.243 -13.159 768 HG21 THR 126 3HG2 THR 126 -18.309 8.896 -12.305 769 HG22 THR 126 1HG2 THR 126 -17.646 7.507 -13.181 770 HG23 THR 126 2HG2 THR 126 -17.584 7.570 -11.404 Start of MODEL 15 1 H1 GLY 1 H GLY 1 23.946 -9.945 14.035 2 HA2 GLY 1 1HA GLY 1 22.411 -10.530 12.282 3 HA3 GLY 1 2HA GLY 1 21.543 -10.534 13.825 4 H CYS 2 H CYS 2 20.840 -9.884 10.880 5 HA CYS 2 HA CYS 2 19.999 -7.086 10.925 6 HB3 CYS 2 2HB CYS 2 18.938 -7.757 8.716 7 HG CYS 2 HG CYS 2 21.256 -6.645 8.719 8 H LEU 3 H LEU 3 17.653 -6.790 10.040 9 HA LEU 3 HA LEU 3 15.680 -8.164 11.745 10 HB3 LEU 3 2HB LEU 3 15.682 -5.768 12.172 11 HG LEU 3 HG LEU 3 15.374 -5.418 9.152 12 HD11 LEU 3 1HD1 LEU 3 13.423 -4.372 10.177 13 HD12 LEU 3 2HD1 LEU 3 14.553 -3.117 9.651 14 HD13 LEU 3 3HD1 LEU 3 14.445 -3.546 11.374 15 HD21 LEU 3 3HD2 LEU 3 16.888 -3.475 9.559 16 HD22 LEU 3 1HD2 LEU 3 17.665 -4.980 10.018 17 HD23 LEU 3 2HD2 LEU 3 16.996 -3.920 11.272 18 HA PRO 4 HA PRO 4 14.319 -10.048 8.050 19 HB3 PRO 4 2HB PRO 4 13.120 -11.364 9.536 20 HG3 PRO 4 2HG PRO 4 11.695 -10.402 11.215 21 HD3 PRO 4 2HD PRO 4 13.879 -9.612 11.601 22 H GLY 5 H GLY 5 14.670 -7.633 7.221 23 HA2 GLY 5 1HA GLY 5 12.815 -7.437 5.088 24 HA3 GLY 5 2HA GLY 5 12.592 -6.076 6.206 25 H PHE 6 H PHE 6 13.559 -5.882 3.500 26 HA PHE 6 HA PHE 6 16.397 -5.272 3.584 27 HB3 PHE 6 2HB PHE 6 15.028 -3.735 1.564 28 HD1 PHE 6 1HD PHE 6 16.349 -7.262 2.027 29 HD2 PHE 6 2HD PHE 6 16.617 -3.559 -0.176 30 HE1 PHE 6 1HE PHE 6 18.201 -8.190 0.673 31 HE2 PHE 6 2HE PHE 6 18.501 -4.485 -1.476 32 HZ PHE 6 HZ PHE 6 19.296 -6.800 -1.074 33 HA PRO 7 HA PRO 7 16.149 -1.414 5.612 34 HB3 PRO 7 2HB PRO 7 18.457 -1.477 5.438 35 HG3 PRO 7 2HG PRO 7 19.537 -1.894 3.304 36 HD3 PRO 7 2HD PRO 7 18.161 -3.730 3.791 37 H GLY 8 H GLY 8 13.903 -0.855 4.772 38 HA2 GLY 8 1HA GLY 8 13.701 1.841 4.265 39 HA3 GLY 8 2HA GLY 8 13.779 1.114 2.643 40 H ALA 9 H ALA 9 11.665 2.213 4.780 41 HA ALA 9 HA ALA 9 9.545 1.297 3.023 42 HB1 ALA 9 1HB ALA 9 8.046 0.518 4.770 43 HB2 ALA 9 2HB ALA 9 9.545 -0.397 4.885 44 HB3 ALA 9 3HB ALA 9 9.224 0.933 6.034 45 HA PRO 10 HA PRO 10 8.372 5.557 3.880 46 HB3 PRO 10 2HB PRO 10 7.085 5.403 1.958 47 HG3 PRO 10 2HG PRO 10 5.830 3.463 1.462 48 HD3 PRO 10 2HD PRO 10 7.989 2.645 1.903 49 H CYS 11 H CYS 11 6.925 7.005 5.167 50 HA CYS 11 HA CYS 11 5.430 5.699 7.371 51 HB3 CYS 11 2HB CYS 11 6.515 7.202 9.019 52 HG CYS 11 HG CYS 11 9.003 6.319 9.190 53 H ALA 12 H ALA 12 4.630 7.822 8.761 54 HA ALA 12 HA ALA 12 3.117 9.384 8.982 55 HB1 ALA 12 1HB ALA 12 5.199 10.588 8.135 56 HB2 ALA 12 2HB ALA 12 4.318 10.763 6.594 57 HB3 ALA 12 3HB ALA 12 3.668 11.491 8.071 58 H ILE 13 H ILE 13 2.434 7.337 6.804 59 HA ILE 13 HA ILE 13 1.081 8.374 4.688 60 HB ILE 13 HB ILE 13 0.444 5.807 6.236 61 HG13 ILE 13 2HG1 ILE 13 2.734 6.680 4.498 62 HG21 ILE 13 1HG2 ILE 13 -0.182 6.719 3.420 63 HG22 ILE 13 2HG2 ILE 13 -0.190 5.007 3.889 64 HG23 ILE 13 3HG2 ILE 13 -1.297 6.136 4.663 65 HD11 ILE 13 3HD1 ILE 13 3.059 5.746 6.844 66 HD12 ILE 13 1HD1 ILE 13 2.430 4.205 6.235 67 HD13 ILE 13 2HD1 ILE 13 3.923 4.889 5.552 68 H LYS 14 H LYS 14 -0.996 9.039 4.148 69 HA LYS 14 HA LYS 14 -3.112 9.066 6.194 70 HB3 LYS 14 2HB LYS 14 -3.698 11.255 5.599 71 HG3 LYS 14 2HG LYS 14 -0.779 11.323 6.376 72 HD3 LYS 14 2HD LYS 14 -1.420 13.299 7.640 73 HE3 LYS 14 2HE LYS 14 -2.479 13.829 4.861 74 HZ1 LYS 14 3HZ LYS 14 -1.880 15.688 6.325 75 HZ2 LYS 14 1HZ LYS 14 -0.909 15.619 4.997 76 HZ3 LYS 14 2HZ LYS 14 -0.337 15.090 6.447 77 H ILE 15 H ILE 15 -4.744 8.202 5.372 78 HA ILE 15 HA ILE 15 -5.233 8.009 2.418 79 HB ILE 15 HB ILE 15 -6.092 6.038 4.599 80 HG13 ILE 15 2HG1 ILE 15 -3.544 6.183 4.389 81 HG21 ILE 15 1HG2 ILE 15 -6.465 4.519 2.692 82 HG22 ILE 15 2HG2 ILE 15 -7.302 6.041 2.375 83 HG23 ILE 15 3HG2 ILE 15 -5.742 5.705 1.597 84 HD11 ILE 15 3HD1 ILE 15 -4.731 4.222 5.378 85 HD12 ILE 15 1HD1 ILE 15 -4.742 3.464 3.766 86 HD13 ILE 15 2HD1 ILE 15 -3.209 3.836 4.573 87 H SER 16 H SER 16 -7.190 8.760 1.914 88 HA SER 16 HA SER 16 -9.360 8.983 3.921 89 HB3 SER 16 2HB SER 16 -9.821 11.354 3.245 90 HG SER 16 HG SER 16 -7.960 12.187 4.471 91 H LYS 17 H LYS 17 -11.356 9.012 3.159 92 HA LYS 17 HA LYS 17 -11.747 8.404 0.320 93 HB3 LYS 17 2HB LYS 17 -13.689 9.047 2.560 94 HG3 LYS 17 2HG LYS 17 -13.913 7.767 -0.215 95 HD3 LYS 17 2HD LYS 17 -16.133 7.797 1.842 96 HE3 LYS 17 2HE LYS 17 -17.343 6.434 0.283 97 HZ1 LYS 17 3HZ LYS 17 -15.816 8.194 -1.546 98 HZ2 LYS 17 1HZ LYS 17 -17.029 8.766 -0.617 99 HZ3 LYS 17 2HZ LYS 17 -17.347 7.640 -1.765 100 H SER 18 H SER 18 -12.968 9.771 -1.032 101 HA SER 18 HA SER 18 -13.547 12.550 -0.410 102 HB3 SER 18 2HB SER 18 -12.545 13.126 -2.669 103 HG SER 18 HG SER 18 -10.356 12.929 -1.998 104 HA PRO 19 HA PRO 19 -17.205 11.327 -2.631 105 HB3 PRO 19 2HB PRO 19 -17.982 13.431 -2.963 106 HG3 PRO 19 2HG PRO 19 -16.475 15.240 -3.302 107 HD3 PRO 19 2HD PRO 19 -15.858 13.972 -1.363 108 H ASP 20 H ASP 20 -14.570 12.265 -4.887 109 HA ASP 20 HA ASP 20 -15.441 10.643 -7.040 110 HB3 ASP 20 2HB ASP 20 -13.148 11.320 -7.958 111 H GLY 21 H GLY 21 -13.587 9.689 -4.239 112 HA2 GLY 21 1HA GLY 21 -13.187 7.049 -4.753 113 HA3 GLY 21 2HA GLY 21 -11.856 7.820 -5.625 114 H ALA 22 H ALA 22 -10.434 6.774 -4.123 115 HA ALA 22 HA ALA 22 -10.367 7.940 -1.372 116 HB1 ALA 22 1HB ALA 22 -10.968 5.519 -1.560 117 HB2 ALA 22 2HB ALA 22 -9.322 5.230 -2.190 118 HB3 ALA 22 3HB ALA 22 -9.611 5.886 -0.549 119 H HIS 23 H HIS 23 -8.936 9.308 -1.028 120 HA HIS 23 HA HIS 23 -6.676 10.061 -2.701 121 HB3 HIS 23 2HB HIS 23 -6.334 11.383 -0.388 122 HD1 HIS 23 1HD HIS 23 -7.275 13.938 -0.460 123 HD2 HIS 23 2HD HIS 23 -8.705 11.313 -3.435 124 HE1 HIS 23 1HE HIS 23 -8.487 15.390 -2.195 125 H LEU 24 H LEU 24 -4.495 9.671 -2.263 126 HA LEU 24 HA LEU 24 -3.786 8.283 0.250 127 HB3 LEU 24 2HB LEU 24 -2.038 7.107 -1.024 128 HG LEU 24 HG LEU 24 -4.280 6.019 -0.424 129 HD11 LEU 24 1HD1 LEU 24 -5.659 6.832 -2.330 130 HD12 LEU 24 2HD1 LEU 24 -5.523 5.072 -2.373 131 HD13 LEU 24 3HD1 LEU 24 -4.539 6.101 -3.466 132 HD21 LEU 24 3HD2 LEU 24 -3.621 3.920 -1.526 133 HD22 LEU 24 1HD2 LEU 24 -2.256 4.779 -0.812 134 HD23 LEU 24 2HD2 LEU 24 -2.496 4.839 -2.568 135 H THR 25 H THR 25 -2.191 9.370 1.249 136 HA THR 25 HA THR 25 -0.235 10.859 -0.395 137 HB THR 25 HB THR 25 -0.209 12.792 1.031 138 HG1 THR 25 1HG THR 25 -1.928 11.271 2.585 139 HG21 THR 25 3HG2 THR 25 -2.149 12.560 -0.703 140 HG22 THR 25 1HG2 THR 25 -2.232 13.823 0.515 141 HG23 THR 25 2HG2 THR 25 -3.164 12.326 0.769 142 H TRP 26 H TRP 26 1.821 10.903 0.522 143 HA TRP 26 HA TRP 26 2.179 9.679 3.175 144 HB3 TRP 26 2HB TRP 26 3.413 7.855 2.628 145 HD1 TRP 26 HD TRP 26 1.704 6.048 2.409 146 HE1 TRP 26 1HE TRP 26 0.085 5.093 0.696 147 HE3 TRP 26 3HE TRP 26 2.561 9.362 -1.366 148 HZ2 TRP 26 2HZ TRP 26 -0.381 5.418 -2.113 149 HZ3 TRP 26 3HZ TRP 26 1.527 8.956 -3.589 150 HH2 TRP 26 HH TRP 26 -0.051 7.044 -3.918 151 H GLU 27 H GLU 27 4.708 9.650 3.675 152 HA GLU 27 HA GLU 27 5.365 12.459 3.510 153 HB3 GLU 27 2HB GLU 27 5.989 11.103 5.414 154 HG3 GLU 27 2HG GLU 27 8.102 9.825 3.635 155 HA PRO 28 HA PRO 28 7.962 12.464 -0.120 156 HB3 PRO 28 2HB PRO 28 7.894 14.787 0.009 157 HG3 PRO 28 2HG PRO 28 8.093 15.909 2.095 158 HD3 PRO 28 2HD PRO 28 6.326 14.410 2.435 159 HA PRO 29 HA PRO 29 11.393 9.979 0.738 160 HB3 PRO 29 2HB PRO 29 11.522 9.686 -1.520 161 HG3 PRO 29 2HG PRO 29 11.391 11.492 -3.064 162 HD3 PRO 29 2HD PRO 29 9.472 11.555 -1.703 163 H SER 30 H SER 30 12.008 10.930 2.754 164 HA SER 30 HA SER 30 14.666 12.203 2.716 165 HB3 SER 30 2HB SER 30 12.347 13.461 4.236 166 HG SER 30 HG SER 30 14.127 14.435 4.897 167 H VAL 31 H VAL 31 13.661 9.545 3.663 168 HA VAL 31 HA VAL 31 14.339 9.788 6.536 169 HB VAL 31 HB VAL 31 12.006 8.318 5.317 170 HG11 VAL 31 1HG1 VAL 31 13.065 8.119 8.171 171 HG12 VAL 31 2HG1 VAL 31 11.440 7.608 7.657 172 HG13 VAL 31 3HG1 VAL 31 12.842 6.782 7.003 173 HG21 VAL 31 3HG2 VAL 31 10.733 9.683 6.925 174 HG22 VAL 31 1HG2 VAL 31 12.220 10.541 7.378 175 HG23 VAL 31 2HG2 VAL 31 11.557 10.661 5.728 176 H THR 32 H THR 32 13.598 6.683 4.855 177 HA THR 32 HA THR 32 16.534 6.117 4.769 178 HB THR 32 HB THR 32 16.011 3.823 5.505 179 HG1 THR 32 1HG THR 32 13.920 3.528 6.516 180 HG21 THR 32 3HG2 THR 32 16.635 5.595 7.151 181 HG22 THR 32 1HG2 THR 32 15.616 4.314 7.838 182 HG23 THR 32 2HG2 THR 32 14.914 5.898 7.436 183 H SER 33 H SER 33 13.775 6.465 3.164 184 HA SER 33 HA SER 33 13.370 4.497 1.370 185 HB3 SER 33 2HB SER 33 11.784 6.138 1.741 186 HG SER 33 HG SER 33 13.841 7.921 1.620 187 H GLY 34 H GLY 34 16.189 6.728 0.955 188 HA2 GLY 34 1HA GLY 34 17.986 6.131 -0.339 189 HA3 GLY 34 2HA GLY 34 16.994 4.976 -1.244 190 H LYS 35 H LYS 35 18.043 5.957 -3.092 191 HA LYS 35 HA LYS 35 17.168 8.555 -4.125 192 HB3 LYS 35 2HB LYS 35 18.506 6.125 -5.377 193 HG3 LYS 35 2HG LYS 35 18.481 8.952 -6.436 194 HD3 LYS 35 2HD LYS 35 18.792 7.453 -8.637 195 HE3 LYS 35 2HE LYS 35 21.318 7.127 -8.001 196 HZ1 LYS 35 3HZ LYS 35 21.720 9.408 -8.397 197 HZ2 LYS 35 1HZ LYS 35 20.156 9.864 -8.035 198 HZ3 LYS 35 2HZ LYS 35 20.519 8.910 -9.358 199 H ILE 36 H ILE 36 14.912 8.513 -4.148 200 HA ILE 36 HA ILE 36 13.450 6.244 -5.236 201 HB ILE 36 HB ILE 36 12.565 9.060 -4.490 202 HG13 ILE 36 2HG1 ILE 36 12.145 6.275 -3.256 203 HG21 ILE 36 1HG2 ILE 36 10.796 6.709 -5.246 204 HG22 ILE 36 2HG2 ILE 36 10.264 8.312 -4.721 205 HG23 ILE 36 3HG2 ILE 36 11.042 8.131 -6.283 206 HD11 ILE 36 3HD1 ILE 36 14.087 6.909 -2.258 207 HD12 ILE 36 1HD1 ILE 36 13.812 8.653 -2.484 208 HD13 ILE 36 2HD1 ILE 36 12.972 7.796 -1.205 209 H ILE 37 H ILE 37 12.664 5.961 -7.215 210 HA ILE 37 HA ILE 37 13.046 8.014 -9.318 211 HB ILE 37 HB ILE 37 13.663 6.043 -10.802 212 HG13 ILE 37 2HG1 ILE 37 13.048 4.285 -9.103 213 HG21 ILE 37 1HG2 ILE 37 15.231 7.798 -9.966 214 HG22 ILE 37 2HG2 ILE 37 15.674 6.751 -8.605 215 HG23 ILE 37 3HG2 ILE 37 16.052 6.254 -10.264 216 HD11 ILE 37 3HD1 ILE 37 15.869 3.993 -10.174 217 HD12 ILE 37 1HD1 ILE 37 14.779 2.696 -9.657 218 HD13 ILE 37 2HD1 ILE 37 14.369 3.667 -11.091 219 H GLU 38 H GLU 38 10.997 5.624 -7.791 220 HA GLU 38 HA GLU 38 8.760 6.476 -9.369 221 HB3 GLU 38 2HB GLU 38 9.325 3.482 -9.384 222 HG3 GLU 38 2HG GLU 38 7.688 5.281 -11.174 223 H TYR 39 H TYR 39 6.823 4.709 -8.370 224 HA TYR 39 HA TYR 39 7.597 3.751 -5.691 225 HB3 TYR 39 2HB TYR 39 5.082 4.408 -5.113 226 HD1 TYR 39 1HD TYR 39 7.176 7.412 -5.904 227 HD2 TYR 39 2HD TYR 39 6.003 4.513 -2.943 228 HE1 TYR 39 1HE TYR 39 8.103 8.856 -4.144 229 HE2 TYR 39 2HE TYR 39 7.049 5.899 -1.181 230 HH TYR 39 HH TYR 39 8.063 9.182 -1.746 231 H SER 40 H SER 40 5.778 2.159 -4.943 232 HA SER 40 HA SER 40 3.947 1.400 -7.030 233 HB3 SER 40 2HB SER 40 4.365 -1.076 -6.627 234 HG SER 40 HG SER 40 5.984 0.696 -8.053 235 H VAL 41 H VAL 41 2.138 0.264 -6.156 236 HA VAL 41 HA VAL 41 1.809 0.255 -3.238 237 HB VAL 41 HB VAL 41 -0.071 1.705 -5.161 238 HG11 VAL 41 1HG1 VAL 41 -0.197 1.333 -2.176 239 HG12 VAL 41 2HG1 VAL 41 -1.216 2.439 -3.117 240 HG13 VAL 41 3HG1 VAL 41 -1.334 0.717 -3.443 241 HG21 VAL 41 3HG2 VAL 41 1.733 2.875 -3.018 242 HG22 VAL 41 1HG2 VAL 41 1.918 3.123 -4.770 243 HG23 VAL 41 2HG2 VAL 41 0.513 3.773 -3.942 244 H TYR 42 H TYR 42 1.094 -1.776 -2.821 245 HA TYR 42 HA TYR 42 -0.347 -3.228 -4.990 246 HB3 TYR 42 2HB TYR 42 0.660 -5.177 -4.363 247 HD1 TYR 42 1HD TYR 42 1.758 -4.134 -6.506 248 HD2 TYR 42 2HD TYR 42 3.440 -4.064 -2.546 249 HE1 TYR 42 1HE TYR 42 4.020 -3.752 -7.481 250 HE2 TYR 42 2HE TYR 42 5.715 -3.814 -3.512 251 HH TYR 42 HH TYR 42 6.871 -3.129 -5.463 252 H LEU 43 H LEU 43 -2.447 -2.653 -4.340 253 HA LEU 43 HA LEU 43 -3.488 -3.043 -1.631 254 HB3 LEU 43 2HB LEU 43 -4.764 -2.730 -4.376 255 HG LEU 43 HG LEU 43 -6.265 -4.088 -2.859 256 HD11 LEU 43 1HD1 LEU 43 -6.287 -1.505 -1.211 257 HD12 LEU 43 2HD1 LEU 43 -5.585 -3.051 -0.669 258 HD13 LEU 43 3HD1 LEU 43 -7.312 -2.910 -0.960 259 HD21 LEU 43 3HD2 LEU 43 -8.224 -2.844 -3.364 260 HD22 LEU 43 1HD2 LEU 43 -7.086 -2.488 -4.659 261 HD23 LEU 43 2HD2 LEU 43 -7.369 -1.302 -3.363 262 H ALA 44 H ALA 44 -4.423 -5.022 -0.809 263 HA ALA 44 HA ALA 44 -3.667 -7.405 -2.359 264 HB1 ALA 44 1HB ALA 44 -2.865 -7.349 -0.041 265 HB2 ALA 44 2HB ALA 44 -4.515 -7.095 0.553 266 HB3 ALA 44 3HB ALA 44 -4.091 -8.614 -0.244 267 H ILE 45 H ILE 45 -5.233 -9.063 -2.688 268 HA ILE 45 HA ILE 45 -8.065 -8.390 -2.622 269 HB ILE 45 HB ILE 45 -8.340 -8.602 -5.045 270 HG13 ILE 45 2HG1 ILE 45 -6.319 -10.005 -5.477 271 HG21 ILE 45 1HG2 ILE 45 -6.327 -6.370 -4.570 272 HG22 ILE 45 2HG2 ILE 45 -7.645 -6.425 -5.758 273 HG23 ILE 45 3HG2 ILE 45 -8.023 -6.323 -4.048 274 HD11 ILE 45 3HD1 ILE 45 -6.387 -7.555 -7.247 275 HD12 ILE 45 1HD1 ILE 45 -5.744 -9.162 -7.634 276 HD13 ILE 45 2HD1 ILE 45 -7.490 -8.943 -7.356 277 H GLN 46 H GLN 46 -8.923 -10.418 -4.308 278 HA GLN 46 HA GLN 46 -8.470 -12.866 -3.033 279 HB3 GLN 46 2HB GLN 46 -9.219 -12.788 -5.943 280 HG3 GLN 46 2HG GLN 46 -10.843 -13.783 -3.566 281 HE21 GLN 46 1HE2 GLN 46 -12.340 -15.535 -4.160 282 HE22 GLN 46 2HE2 GLN 46 -12.808 -15.814 -5.835 283 H SER 47 H SER 47 -7.829 -14.812 -4.485 284 HA SER 47 HA SER 47 -6.273 -16.141 -5.426 285 HB3 SER 47 2HB SER 47 -4.883 -15.172 -7.341 286 HG SER 47 HG SER 47 -6.860 -14.793 -8.547 287 H SER 48 H SER 48 -3.428 -15.355 -6.169 288 HA SER 48 HA SER 48 -2.249 -15.022 -3.513 289 HB3 SER 48 2HB SER 48 -1.569 -17.252 -3.194 290 HG SER 48 HG SER 48 -3.998 -16.741 -3.030 291 H GLN 49 H GLN 49 -1.851 -13.912 -6.357 292 HA GLN 49 HA GLN 49 0.906 -14.896 -6.874 293 HB3 GLN 49 2HB GLN 49 0.253 -14.895 -9.302 294 HG3 GLN 49 2HG GLN 49 -1.232 -16.820 -7.448 295 HE21 GLN 49 1HE2 GLN 49 0.423 -18.732 -9.409 296 HE22 GLN 49 2HE2 GLN 49 -0.791 -19.002 -10.637 297 H ALA 50 H ALA 50 1.795 -13.460 -8.738 298 HA ALA 50 HA ALA 50 2.924 -11.574 -9.094 299 HB1 ALA 50 1HB ALA 50 0.119 -10.420 -9.031 300 HB2 ALA 50 2HB ALA 50 1.547 -9.682 -9.809 301 HB3 ALA 50 3HB ALA 50 0.906 -11.225 -10.398 302 H SER 51 H SER 51 3.752 -12.055 -6.817 303 HA SER 51 HA SER 51 4.036 -9.549 -5.419 304 HB3 SER 51 2HB SER 51 1.971 -10.386 -4.335 305 HG SER 51 HG SER 51 3.526 -12.716 -4.184 306 H GLY 52 H GLY 52 6.261 -9.565 -5.103 307 HA2 GLY 52 1HA GLY 52 7.690 -11.638 -3.787 308 HA3 GLY 52 2HA GLY 52 7.862 -11.890 -5.526 309 H GLU 53 H GLU 53 8.763 -10.009 -2.821 310 HA GLU 53 HA GLU 53 9.746 -7.690 -4.226 311 HB3 GLU 53 2HB GLU 53 9.017 -7.383 -1.980 312 HG3 GLU 53 2HG GLU 53 11.058 -9.503 -1.172 313 HA PRO 54 HA PRO 54 13.807 -9.248 -5.172 314 HB3 PRO 54 2HB PRO 54 13.828 -7.359 -6.558 315 HG3 PRO 54 2HG PRO 54 13.260 -5.179 -5.688 316 HD3 PRO 54 2HD PRO 54 11.351 -6.546 -5.399 317 H LYS 55 H LYS 55 13.512 -10.014 -2.773 318 HA LYS 55 HA LYS 55 15.756 -8.897 -1.118 319 HB3 LYS 55 2HB LYS 55 13.471 -10.642 -0.123 320 HG3 LYS 55 2HG LYS 55 14.308 -8.753 1.784 321 HD3 LYS 55 2HD LYS 55 14.961 -11.742 1.656 322 HE3 LYS 55 2HE LYS 55 14.361 -11.452 4.113 323 HZ1 LYS 55 3HZ LYS 55 16.855 -10.069 3.288 324 HZ2 LYS 55 1HZ LYS 55 16.680 -11.699 3.391 325 HZ3 LYS 55 2HZ LYS 55 16.581 -10.751 4.730 326 H SER 56 H SER 56 15.480 -11.134 -3.406 327 HA SER 56 HA SER 56 16.546 -12.977 -4.053 328 HB3 SER 56 2HB SER 56 18.425 -12.016 -1.894 329 HG SER 56 HG SER 56 19.002 -14.033 -3.841 330 H SER 57 H SER 57 14.873 -12.999 -1.196 331 HA SER 57 HA SER 57 14.199 -15.738 -1.445 332 HB3 SER 57 2HB SER 57 14.476 -16.194 1.013 333 HG SER 57 HG SER 57 16.007 -16.954 -0.508 334 H THR 58 H THR 58 12.064 -15.308 -1.628 335 HA THR 58 HA THR 58 10.806 -13.461 0.314 336 HB THR 58 HB THR 58 11.179 -12.124 -1.619 337 HG1 THR 58 1HG THR 58 9.341 -11.817 -0.448 338 HG21 THR 58 3HG2 THR 58 9.461 -13.992 -3.280 339 HG22 THR 58 1HG2 THR 58 11.226 -13.896 -3.382 340 HG23 THR 58 2HG2 THR 58 10.237 -12.480 -3.786 341 HA PRO 59 HA PRO 59 8.777 -17.599 0.036 342 HB3 PRO 59 2HB PRO 59 10.441 -18.562 1.285 343 HG3 PRO 59 2HG PRO 59 11.555 -17.385 3.039 344 HD3 PRO 59 2HD PRO 59 11.863 -16.233 1.001 345 H ALA 60 H ALA 60 7.173 -15.784 -0.204 346 HA ALA 60 HA ALA 60 4.972 -16.186 1.581 347 HB1 ALA 60 1HB ALA 60 5.883 -13.310 1.245 348 HB2 ALA 60 2HB ALA 60 4.555 -13.963 2.237 349 HB3 ALA 60 3HB ALA 60 6.230 -14.283 2.701 350 H GLN 61 H GLN 61 3.767 -16.853 -0.090 351 HA GLN 61 HA GLN 61 3.636 -15.362 -2.649 352 HB3 GLN 61 2HB GLN 61 2.178 -17.273 -3.346 353 HG3 GLN 61 2HG GLN 61 4.127 -19.063 -2.658 354 HE21 GLN 61 1HE2 GLN 61 5.978 -16.500 -4.088 355 HE22 GLN 61 2HE2 GLN 61 5.638 -16.934 -5.755 356 H LEU 62 H LEU 62 2.860 -13.495 -1.735 357 HA LEU 62 HA LEU 62 0.451 -13.261 -0.156 358 HB3 LEU 62 2HB LEU 62 0.798 -10.942 -0.239 359 HG LEU 62 HG LEU 62 3.617 -11.989 -0.672 360 HD11 LEU 62 1HD1 LEU 62 3.517 -9.585 -0.853 361 HD12 LEU 62 2HD1 LEU 62 4.262 -10.036 0.681 362 HD13 LEU 62 3HD1 LEU 62 2.570 -9.473 0.653 363 HD21 LEU 62 3HD2 LEU 62 1.899 -11.723 1.838 364 HD22 LEU 62 1HD2 LEU 62 3.656 -11.981 1.837 365 HD23 LEU 62 2HD2 LEU 62 2.587 -13.213 1.153 366 H ALA 63 H ALA 63 -1.059 -11.247 -1.286 367 HA ALA 63 HA ALA 63 -1.628 -12.060 -4.058 368 HB1 ALA 63 1HB ALA 63 -3.782 -11.676 -1.902 369 HB2 ALA 63 2HB ALA 63 -4.046 -12.110 -3.602 370 HB3 ALA 63 3HB ALA 63 -3.243 -13.250 -2.498 371 H PHE 64 H PHE 64 -1.613 -10.251 -5.317 372 HA PHE 64 HA PHE 64 -2.409 -7.651 -4.102 373 HB3 PHE 64 2HB PHE 64 -0.426 -6.675 -5.351 374 HD1 PHE 64 2HD PHE 64 -1.301 -7.126 -2.316 375 HD2 PHE 64 1HD PHE 64 2.282 -7.894 -4.619 376 HE1 PHE 64 2HE PHE 64 -0.013 -7.132 -0.282 377 HE2 PHE 64 1HE PHE 64 3.620 -7.755 -2.531 378 HZ PHE 64 HZ PHE 64 2.469 -7.426 -0.357 379 H MET 65 H MET 65 -3.028 -6.080 -5.527 380 HA MET 65 HA MET 65 -3.768 -6.917 -8.262 381 HB3 MET 65 2HB MET 65 -4.243 -4.309 -6.759 382 HG3 MET 65 2HG MET 65 -4.815 -5.227 -9.523 383 HE1 MET 65 3HE MET 65 -7.054 -2.480 -7.538 384 HE2 MET 65 1HE MET 65 -8.489 -3.476 -7.298 385 HE3 MET 65 2HE MET 65 -6.984 -3.907 -6.471 386 H ARG 66 H ARG 66 -1.476 -4.705 -6.705 387 HA ARG 66 HA ARG 66 0.001 -3.120 -7.447 388 HB3 ARG 66 2HB ARG 66 0.041 -4.641 -10.067 389 HG3 ARG 66 2HG ARG 66 2.203 -2.784 -8.992 390 HD3 ARG 66 2HD ARG 66 1.750 -4.395 -11.536 391 HE ARG 66 HE ARG 66 3.577 -2.212 -11.250 392 HH11 ARG 66 1HH1 ARG 66 3.320 -5.530 -12.521 393 HH12 ARG 66 2HH1 ARG 66 4.541 -5.316 -13.736 394 HH21 ARG 66 1HH2 ARG 66 5.117 -1.897 -12.827 395 HH22 ARG 66 2HH2 ARG 66 5.479 -3.122 -14.038 396 H VAL 67 H VAL 67 -1.535 -1.514 -7.162 397 HA VAL 67 HA VAL 67 -3.375 -0.874 -9.379 398 HB VAL 67 HB VAL 67 -4.227 0.831 -7.773 399 HG11 VAL 67 1HG1 VAL 67 -5.370 -0.755 -6.341 400 HG12 VAL 67 2HG1 VAL 67 -5.178 -1.444 -7.951 401 HG13 VAL 67 3HG1 VAL 67 -4.126 -1.990 -6.626 402 HG21 VAL 67 3HG2 VAL 67 -2.089 1.114 -6.441 403 HG22 VAL 67 1HG2 VAL 67 -3.532 0.879 -5.474 404 HG23 VAL 67 2HG2 VAL 67 -2.410 -0.468 -5.684 405 H TYR 68 H TYR 68 -0.160 -0.172 -8.667 406 HA TYR 68 HA TYR 68 -0.391 2.640 -9.628 407 HB3 TYR 68 2HB TYR 68 1.868 1.879 -7.841 408 HD1 TYR 68 1HD TYR 68 2.671 4.163 -8.629 409 HD2 TYR 68 2HD TYR 68 -1.055 3.572 -6.532 410 HE1 TYR 68 1HE TYR 68 2.654 6.537 -7.998 411 HE2 TYR 68 2HE TYR 68 -1.064 5.942 -5.855 412 HH TYR 68 HH TYR 68 1.189 8.304 -7.179 413 H CYS 69 H CYS 69 0.175 2.629 -11.698 414 HA CYS 69 HA CYS 69 2.986 1.947 -12.338 415 HB3 CYS 69 2HB CYS 69 2.335 1.072 -14.549 416 HG CYS 69 HG CYS 69 0.426 -0.928 -13.145 417 H GLY 70 H GLY 70 2.405 4.443 -11.617 418 HA2 GLY 70 1HA GLY 70 2.878 5.821 -14.080 419 HA3 GLY 70 2HA GLY 70 1.371 6.368 -13.293 420 HA PRO 71 HA PRO 71 5.202 8.239 -11.185 421 HB3 PRO 71 2HB PRO 71 6.305 8.863 -13.172 422 HG3 PRO 71 2HG PRO 71 5.051 9.703 -15.040 423 HD3 PRO 71 2HD PRO 71 4.274 7.541 -14.666 424 H SER 72 H SER 72 2.116 9.216 -12.066 425 HA SER 72 HA SER 72 1.375 11.574 -10.980 426 HB3 SER 72 2HB SER 72 -0.720 10.155 -10.160 427 HG SER 72 HG SER 72 -1.472 10.864 -11.887 428 HA PRO 73 HA PRO 73 2.931 10.677 -6.764 429 HB3 PRO 73 2HB PRO 73 4.345 12.533 -6.908 430 HG3 PRO 73 2HG PRO 73 3.732 14.456 -8.169 431 HD3 PRO 73 2HD PRO 73 3.482 12.719 -9.708 432 H SER 74 H SER 74 1.808 10.631 -4.771 433 HA SER 74 HA SER 74 -0.104 10.366 -3.480 434 HB3 SER 74 2HB SER 74 0.359 12.371 -2.629 435 HG SER 74 HG SER 74 -0.202 13.418 -5.159 436 H CYS 75 H CYS 75 -0.640 9.097 -5.869 437 HA CYS 75 HA CYS 75 -2.838 10.279 -7.300 438 HB3 CYS 75 2HB CYS 75 -2.140 7.327 -7.347 439 HG CYS 75 HG CYS 75 -2.633 7.249 -9.852 440 H LEU 76 H LEU 76 -5.008 9.458 -7.447 441 HA LEU 76 HA LEU 76 -6.117 8.471 -4.901 442 HB3 LEU 76 2HB LEU 76 -7.159 10.385 -6.016 443 HG LEU 76 HG LEU 76 -6.877 9.345 -8.468 444 HD11 LEU 76 1HD1 LEU 76 -9.617 8.296 -7.611 445 HD12 LEU 76 2HD1 LEU 76 -8.265 7.362 -8.303 446 HD13 LEU 76 3HD1 LEU 76 -9.122 8.524 -9.297 447 HD21 LEU 76 3HD2 LEU 76 -7.692 11.586 -8.024 448 HD22 LEU 76 1HD2 LEU 76 -9.282 10.973 -7.546 449 HD23 LEU 76 2HD2 LEU 76 -8.738 10.821 -9.220 450 H VAL 77 H VAL 77 -7.875 6.796 -5.104 451 HA VAL 77 HA VAL 77 -7.415 4.762 -7.229 452 HB VAL 77 HB VAL 77 -7.966 4.276 -4.268 453 HG11 VAL 77 1HG1 VAL 77 -7.823 1.868 -4.835 454 HG12 VAL 77 2HG1 VAL 77 -9.154 2.626 -5.683 455 HG13 VAL 77 3HG1 VAL 77 -7.656 2.273 -6.562 456 HG21 VAL 77 3HG2 VAL 77 -5.817 3.245 -4.138 457 HG22 VAL 77 1HG2 VAL 77 -5.577 3.332 -5.909 458 HG23 VAL 77 2HG2 VAL 77 -5.552 4.793 -4.923 459 H GLN 78 H GLN 78 -9.199 4.576 -8.405 460 HA GLN 78 HA GLN 78 -11.743 5.762 -7.814 461 HB3 GLN 78 2HB GLN 78 -12.412 4.221 -9.760 462 HG3 GLN 78 2HG GLN 78 -9.997 6.057 -10.040 463 HE21 GLN 78 1HE2 GLN 78 -8.911 4.609 -11.535 464 HE22 GLN 78 2HE2 GLN 78 -9.502 4.455 -13.184 465 H SER 79 H SER 79 -13.680 4.726 -7.142 466 HA SER 79 HA SER 79 -13.496 2.913 -5.008 467 HB3 SER 79 2HB SER 79 -15.366 4.370 -5.088 468 HG SER 79 HG SER 79 -16.827 3.595 -7.114 469 H SER 80 H SER 80 -14.214 2.338 -8.425 470 HA SER 80 HA SER 80 -15.000 -0.268 -8.512 471 HB3 SER 80 2HB SER 80 -12.921 0.809 -10.411 472 HG SER 80 HG SER 80 -14.037 -1.095 -11.070 473 H SER 81 H SER 81 -11.603 0.912 -8.270 474 HA SER 81 HA SER 81 -10.458 -1.750 -8.192 475 HB3 SER 81 2HB SER 81 -8.367 -0.512 -8.027 476 HG SER 81 HG SER 81 -9.490 -0.614 -10.055 477 H LEU 82 H LEU 82 -11.982 0.212 -5.790 478 HA LEU 82 HA LEU 82 -10.350 -0.840 -3.555 479 HB3 LEU 82 2HB LEU 82 -12.041 0.283 -2.124 480 HG LEU 82 HG LEU 82 -11.025 2.083 -4.351 481 HD11 LEU 82 1HD1 LEU 82 -11.564 3.971 -3.101 482 HD12 LEU 82 2HD1 LEU 82 -11.850 3.032 -1.604 483 HD13 LEU 82 3HD1 LEU 82 -13.007 2.954 -2.931 484 HD21 LEU 82 3HD2 LEU 82 -9.895 1.585 -1.561 485 HD22 LEU 82 1HD2 LEU 82 -9.254 2.734 -2.755 486 HD23 LEU 82 2HD2 LEU 82 -9.188 0.984 -3.059 487 H SER 83 H SER 83 -13.430 -1.458 -5.220 488 HA SER 83 HA SER 83 -14.754 -2.812 -3.296 489 HB3 SER 83 2HB SER 83 -16.277 -3.440 -5.090 490 HG SER 83 HG SER 83 -16.363 -1.440 -6.220 491 H ASN 84 H ASN 84 -12.000 -4.293 -4.452 492 HA ASN 84 HA ASN 84 -13.137 -7.041 -4.122 493 HB3 ASN 84 2HB ASN 84 -11.329 -7.784 -5.658 494 HD21 ASN 84 1HD2 ASN 84 -11.397 -6.235 -8.171 495 HD22 ASN 84 2HD2 ASN 84 -13.003 -6.303 -8.824 496 H ALA 85 H ALA 85 -11.637 -4.919 -2.283 497 HA ALA 85 HA ALA 85 -8.963 -5.914 -2.073 498 HB1 ALA 85 1HB ALA 85 -10.623 -4.067 -0.306 499 HB2 ALA 85 2HB ALA 85 -8.874 -4.320 -0.151 500 HB3 ALA 85 3HB ALA 85 -9.530 -3.586 -1.631 501 H HIS 86 H HIS 86 -7.977 -6.665 -0.241 502 HA HIS 86 HA HIS 86 -9.416 -8.555 1.525 503 HB3 HIS 86 2HB HIS 86 -6.802 -8.200 2.496 504 HD1 HIS 86 1HD HIS 86 -6.774 -10.528 -0.538 505 HD2 HIS 86 2HD HIS 86 -7.897 -10.482 3.546 506 HE1 HIS 86 1HE HIS 86 -7.070 -12.910 0.138 507 H ILE 87 H ILE 87 -10.749 -7.468 2.755 508 HA ILE 87 HA ILE 87 -9.897 -5.239 4.566 509 HB ILE 87 HB ILE 87 -12.376 -6.991 4.801 510 HG13 ILE 87 2HG1 ILE 87 -13.841 -5.613 3.458 511 HG21 ILE 87 1HG2 ILE 87 -13.485 -5.010 5.752 512 HG22 ILE 87 2HG2 ILE 87 -11.951 -5.343 6.577 513 HG23 ILE 87 3HG2 ILE 87 -12.060 -4.031 5.403 514 HD11 ILE 87 3HD1 ILE 87 -12.513 -3.521 3.198 515 HD12 ILE 87 1HD1 ILE 87 -11.385 -4.429 2.137 516 HD13 ILE 87 2HD1 ILE 87 -13.076 -4.205 1.670 517 H ASP 88 H ASP 88 -8.869 -5.485 6.087 518 HA ASP 88 HA ASP 88 -8.127 -7.915 7.356 519 HB3 ASP 88 2HB ASP 88 -6.701 -6.565 8.269 520 H TYR 89 H TYR 89 -9.238 -9.027 8.818 521 HA TYR 89 HA TYR 89 -11.446 -7.695 10.348 522 HB3 TYR 89 2HB TYR 89 -11.819 -10.485 10.472 523 HD1 TYR 89 1HD TYR 89 -12.540 -7.660 8.029 524 HD2 TYR 89 2HD TYR 89 -14.128 -10.720 10.635 525 HE1 TYR 89 1HE TYR 89 -14.825 -6.800 7.653 526 HE2 TYR 89 2HE TYR 89 -16.413 -9.924 10.180 527 HH TYR 89 HH TYR 89 -17.655 -8.585 8.520 528 H THR 90 H THR 90 -8.356 -8.282 10.734 529 HA THR 90 HA THR 90 -8.230 -10.190 12.777 530 HB THR 90 HB THR 90 -6.029 -8.210 12.240 531 HG1 THR 90 1HG THR 90 -5.646 -8.909 10.279 532 HG21 THR 90 3HG2 THR 90 -5.931 -11.259 12.138 533 HG22 THR 90 1HG2 THR 90 -5.634 -10.325 13.605 534 HG23 THR 90 2HG2 THR 90 -4.569 -10.131 12.211 535 H THR 91 H THR 91 -9.287 -7.058 13.249 536 HA THR 91 HA THR 91 -9.387 -7.162 16.006 537 HB THR 91 HB THR 91 -7.978 -4.816 16.177 538 HG1 THR 91 1HG THR 91 -6.519 -6.543 14.511 539 HG21 THR 91 3HG2 THR 91 -6.320 -5.941 17.486 540 HG22 THR 91 1HG2 THR 91 -6.785 -7.510 16.811 541 HG23 THR 91 2HG2 THR 91 -7.920 -6.614 17.818 542 H LYS 92 H LYS 92 -9.370 -5.164 13.034 543 HA LYS 92 HA LYS 92 -11.880 -3.965 13.816 544 HB3 LYS 92 2HB LYS 92 -10.977 -1.708 13.005 545 HG3 LYS 92 2HG LYS 92 -9.622 -2.621 15.569 546 HD3 LYS 92 2HD LYS 92 -10.625 -0.313 16.218 547 HE3 LYS 92 2HE LYS 92 -8.687 0.979 15.402 548 HZ1 LYS 92 3HZ LYS 92 -7.605 -1.640 16.189 549 HZ2 LYS 92 1HZ LYS 92 -8.414 -0.675 17.281 550 HZ3 LYS 92 2HZ LYS 92 -7.062 -0.156 16.509 551 HA PRO 93 HA PRO 93 -12.114 -4.255 9.273 552 HB3 PRO 93 2HB PRO 93 -14.376 -3.925 9.399 553 HG3 PRO 93 2HG PRO 93 -15.348 -2.539 11.087 554 HD3 PRO 93 2HD PRO 93 -13.940 -3.953 12.335 555 H ALA 94 H ALA 94 -10.417 -3.484 8.207 556 HA ALA 94 HA ALA 94 -10.468 -0.815 7.257 557 HB1 ALA 94 1HB ALA 94 -8.134 -1.914 8.863 558 HB2 ALA 94 2HB ALA 94 -8.006 -0.488 7.805 559 HB3 ALA 94 3HB ALA 94 -9.109 -0.463 9.193 560 H ILE 95 H ILE 95 -8.153 -0.864 5.816 561 HA ILE 95 HA ILE 95 -8.080 -3.460 4.366 562 HB ILE 95 HB ILE 95 -8.293 -0.670 3.153 563 HG13 ILE 95 2HG1 ILE 95 -10.426 -1.414 4.025 564 HG21 ILE 95 1HG2 ILE 95 -8.086 -3.385 1.794 565 HG22 ILE 95 2HG2 ILE 95 -8.298 -1.822 0.969 566 HG23 ILE 95 3HG2 ILE 95 -6.803 -2.154 1.820 567 HD11 ILE 95 3HD1 ILE 95 -10.629 -2.154 1.110 568 HD12 ILE 95 1HD1 ILE 95 -11.835 -1.414 2.164 569 HD13 ILE 95 2HD1 ILE 95 -10.435 -0.462 1.645 570 H ILE 96 H ILE 96 -6.079 -4.188 4.305 571 HA ILE 96 HA ILE 96 -3.728 -2.698 4.929 572 HB ILE 96 HB ILE 96 -3.887 -5.338 3.388 573 HG13 ILE 96 2HG1 ILE 96 -3.481 -6.501 5.541 574 HG21 ILE 96 1HG2 ILE 96 -1.627 -5.758 4.496 575 HG22 ILE 96 2HG2 ILE 96 -1.643 -4.506 3.267 576 HG23 ILE 96 3HG2 ILE 96 -1.640 -4.044 4.974 577 HD11 ILE 96 3HD1 ILE 96 -2.763 -4.643 6.998 578 HD12 ILE 96 1HD1 ILE 96 -4.365 -3.895 6.831 579 HD13 ILE 96 2HD1 ILE 96 -4.196 -5.459 7.648 580 H PHE 97 H PHE 97 -2.135 -1.847 3.776 581 HA PHE 97 HA PHE 97 -2.220 -2.020 0.823 582 HB3 PHE 97 2HB PHE 97 -1.364 0.381 0.787 583 HD1 PHE 97 1HD PHE 97 -4.194 0.306 3.221 584 HD2 PHE 97 2HD PHE 97 -3.087 0.626 -0.943 585 HE1 PHE 97 1HE PHE 97 -6.559 0.636 2.588 586 HE2 PHE 97 2HE PHE 97 -5.435 1.026 -1.552 587 HZ PHE 97 HZ PHE 97 -7.196 0.916 0.205 588 H ARG 98 H ARG 98 -0.107 -1.679 -0.118 589 HA ARG 98 HA ARG 98 2.221 -2.250 1.639 590 HB3 ARG 98 2HB ARG 98 2.907 -3.763 -0.363 591 HG3 ARG 98 2HG ARG 98 1.045 -5.460 0.551 592 HD3 ARG 98 2HD ARG 98 3.380 -4.579 2.241 593 HE ARG 98 HE ARG 98 1.700 -6.385 2.999 594 HH11 ARG 98 1HH1 ARG 98 4.875 -6.958 1.414 595 HH12 ARG 98 2HH1 ARG 98 5.182 -8.402 2.292 596 HH21 ARG 98 1HH2 ARG 98 1.999 -8.456 3.907 597 HH22 ARG 98 2HH2 ARG 98 3.532 -9.277 3.719 598 H ILE 99 H ILE 99 2.678 0.062 1.411 599 HA ILE 99 HA ILE 99 3.290 1.021 -1.331 600 HB ILE 99 HB ILE 99 3.333 2.533 1.312 601 HG13 ILE 99 2HG1 ILE 99 0.953 1.604 -0.178 602 HG21 ILE 99 1HG2 ILE 99 3.208 3.475 -1.571 603 HG22 ILE 99 2HG2 ILE 99 3.059 4.505 -0.137 604 HG23 ILE 99 3HG2 ILE 99 4.561 3.633 -0.451 605 HD11 ILE 99 3HD1 ILE 99 1.305 1.584 2.333 606 HD12 ILE 99 1HD1 ILE 99 1.219 3.365 2.294 607 HD13 ILE 99 2HD1 ILE 99 -0.186 2.384 1.809 608 H ALA 100 H ALA 100 5.488 1.184 -1.930 609 HA ALA 100 HA ALA 100 7.323 1.873 0.157 610 HB1 ALA 100 1HB ALA 100 7.927 -0.607 -1.488 611 HB2 ALA 100 2HB ALA 100 9.083 0.214 -0.424 612 HB3 ALA 100 3HB ALA 100 7.630 -0.545 0.242 613 H ALA 101 H ALA 101 9.334 2.735 -0.704 614 HA ALA 101 HA ALA 101 8.669 4.362 -3.056 615 HB1 ALA 101 1HB ALA 101 10.983 4.770 -1.133 616 HB2 ALA 101 2HB ALA 101 10.134 5.940 -2.174 617 HB3 ALA 101 3HB ALA 101 9.329 5.305 -0.750 618 H ARG 102 H ARG 102 9.404 3.788 -4.986 619 HA ARG 102 HA ARG 102 11.217 1.567 -5.200 620 HB3 ARG 102 2HB ARG 102 9.946 3.169 -7.378 621 HG3 ARG 102 2HG ARG 102 10.157 0.622 -8.309 622 HD3 ARG 102 2HD ARG 102 12.711 1.864 -8.840 623 HE ARG 102 HE ARG 102 10.466 2.242 -10.726 624 HH11 ARG 102 1HH1 ARG 102 12.960 -0.070 -9.681 625 HH12 ARG 102 2HH1 ARG 102 12.526 -1.236 -10.887 626 HH21 ARG 102 1HH2 ARG 102 10.088 0.948 -12.353 627 HH22 ARG 102 2HH2 ARG 102 10.978 -0.542 -12.657 628 H ASN 103 H ASN 103 13.109 2.004 -4.481 629 HA ASN 103 HA ASN 103 14.752 4.016 -5.874 630 HB3 ASN 103 2HB ASN 103 14.215 4.376 -3.359 631 HD21 ASN 103 1HD2 ASN 103 13.673 2.392 -2.081 632 HD22 ASN 103 2HD2 ASN 103 15.001 1.686 -1.164 633 H GLU 104 H GLU 104 17.116 3.456 -5.409 634 HA GLU 104 HA GLU 104 17.809 1.394 -7.127 635 HB3 GLU 104 2HB GLU 104 20.167 1.793 -5.887 636 HG3 GLU 104 2HG GLU 104 18.814 4.094 -7.337 637 H LYS 105 H LYS 105 17.567 1.203 -3.563 638 HA LYS 105 HA LYS 105 18.922 -1.269 -3.318 639 HB3 LYS 105 2HB LYS 105 16.806 -0.430 -1.351 640 HG3 LYS 105 2HG LYS 105 18.663 -2.147 -1.017 641 HD3 LYS 105 2HD LYS 105 20.474 0.146 -0.241 642 HE3 LYS 105 2HE LYS 105 22.019 -1.687 -1.491 643 HZ1 LYS 105 3HZ LYS 105 22.202 -1.093 0.905 644 HZ2 LYS 105 1HZ LYS 105 22.571 -2.619 0.489 645 HZ3 LYS 105 2HZ LYS 105 21.155 -2.376 1.225 646 H GLY 106 H GLY 106 15.875 -0.740 -4.701 647 HA2 GLY 106 1HA GLY 106 14.442 -2.406 -5.544 648 HA3 GLY 106 2HA GLY 106 15.279 -3.624 -4.604 649 H TYR 107 H TYR 107 14.550 -1.109 -2.515 650 HA TYR 107 HA TYR 107 12.980 -0.744 -0.897 651 HB3 TYR 107 2HB TYR 107 12.747 0.618 -2.938 652 HD1 TYR 107 2HD TYR 107 12.862 -0.831 -5.117 653 HD2 TYR 107 1HD TYR 107 9.264 0.142 -2.992 654 HE1 TYR 107 2HE TYR 107 11.520 -1.533 -7.055 655 HE2 TYR 107 1HE TYR 107 7.943 -0.426 -4.993 656 HH TYR 107 HH TYR 107 9.308 -2.378 -7.550 657 H GLY 108 H GLY 108 13.083 -3.441 -1.070 658 HA2 GLY 108 1HA GLY 108 10.959 -4.965 -1.738 659 HA3 GLY 108 2HA GLY 108 12.058 -5.421 -0.427 660 HA PRO 109 HA PRO 109 8.811 -5.070 2.495 661 HB3 PRO 109 2HB PRO 109 10.215 -5.091 4.309 662 HG3 PRO 109 2HG PRO 109 12.250 -4.017 4.251 663 HD3 PRO 109 2HD PRO 109 12.226 -5.159 2.214 664 H ALA 110 H ALA 110 7.059 -3.859 3.191 665 HA ALA 110 HA ALA 110 6.848 -1.047 2.271 666 HB1 ALA 110 1HB ALA 110 5.848 -2.339 0.507 667 HB2 ALA 110 2HB ALA 110 5.049 -3.424 1.659 668 HB3 ALA 110 3HB ALA 110 4.509 -1.744 1.510 669 H THR 111 H THR 111 4.861 -0.053 3.235 670 HA THR 111 HA THR 111 4.794 -0.750 6.104 671 HB THR 111 HB THR 111 3.980 1.771 4.619 672 HG1 THR 111 1HG THR 111 5.956 2.459 5.599 673 HG21 THR 111 3HG2 THR 111 4.150 1.084 7.585 674 HG22 THR 111 1HG2 THR 111 2.712 1.614 6.718 675 HG23 THR 111 2HG2 THR 111 4.064 2.738 6.963 676 H GLN 112 H GLN 112 3.311 -2.011 6.839 677 HA GLN 112 HA GLN 112 0.750 -2.460 5.570 678 HB3 GLN 112 2HB GLN 112 1.715 -3.281 8.332 679 HG3 GLN 112 2HG GLN 112 -0.062 -4.866 6.469 680 HE21 GLN 112 1HE2 GLN 112 -1.930 -4.637 8.996 681 HE22 GLN 112 2HE2 GLN 112 -1.226 -5.854 10.052 682 H VAL 113 H VAL 113 0.155 -0.254 5.538 683 HA VAL 113 HA VAL 113 -0.899 0.986 8.005 684 HB VAL 113 HB VAL 113 -1.944 2.582 6.463 685 HG11 VAL 113 1HG1 VAL 113 0.884 2.067 5.449 686 HG12 VAL 113 2HG1 VAL 113 0.043 3.611 5.607 687 HG13 VAL 113 3HG1 VAL 113 0.565 2.759 7.075 688 HG21 VAL 113 3HG2 VAL 113 -0.748 0.924 4.240 689 HG22 VAL 113 1HG2 VAL 113 -2.485 1.204 4.550 690 HG23 VAL 113 2HG2 VAL 113 -1.437 2.545 4.046 691 H ARG 114 H ARG 114 -3.171 0.970 8.493 692 HA ARG 114 HA ARG 114 -4.928 -0.785 6.861 693 HB3 ARG 114 2HB ARG 114 -6.134 -1.184 8.905 694 HG3 ARG 114 2HG ARG 114 -4.152 -2.697 8.728 695 HD3 ARG 114 2HD ARG 114 -3.000 -0.515 10.453 696 HE ARG 114 HE ARG 114 -3.314 -2.816 11.729 697 HH11 ARG 114 1HH1 ARG 114 -0.271 -1.566 10.253 698 HH12 ARG 114 2HH1 ARG 114 0.619 -1.860 11.726 699 HH21 ARG 114 1HH2 ARG 114 -2.063 -3.024 13.649 700 HH22 ARG 114 2HH2 ARG 114 -0.360 -2.704 13.569 701 H TRP 115 H TRP 115 -6.425 0.415 5.833 702 HA TRP 115 HA TRP 115 -6.789 3.228 6.489 703 HB3 TRP 115 2HB TRP 115 -8.361 1.428 4.615 704 HD1 TRP 115 HD TRP 115 -7.852 5.083 5.710 705 HE1 TRP 115 1HE TRP 115 -9.457 6.593 4.443 706 HE3 TRP 115 3HE TRP 115 -9.817 1.649 2.438 707 HZ2 TRP 115 2HZ TRP 115 -11.477 6.326 2.353 708 HZ3 TRP 115 3HZ TRP 115 -11.598 2.341 0.837 709 HH2 TRP 115 HH TRP 115 -12.442 4.685 0.834 710 H LEU 116 H LEU 116 -7.420 3.019 8.769 711 HA LEU 116 HA LEU 116 -9.770 1.576 9.570 712 HB3 LEU 116 2HB LEU 116 -9.586 2.673 11.622 713 HG LEU 116 HG LEU 116 -6.664 2.364 10.866 714 HD11 LEU 116 1HD1 LEU 116 -8.156 2.056 13.496 715 HD12 LEU 116 2HD1 LEU 116 -7.108 3.410 13.029 716 HD13 LEU 116 3HD1 LEU 116 -6.413 1.798 13.250 717 HD21 LEU 116 3HD2 LEU 116 -8.676 0.148 11.450 718 HD22 LEU 116 1HD2 LEU 116 -6.936 -0.022 11.826 719 HD23 LEU 116 2HD2 LEU 116 -7.439 0.287 10.195 720 H GLN 117 H GLN 117 -10.060 3.730 7.425 721 HA GLN 117 HA GLN 117 -12.113 5.501 8.624 722 HB3 GLN 117 2HB GLN 117 -11.466 5.841 5.777 723 HG3 GLN 117 2HG GLN 117 -11.217 7.701 8.171 724 HE21 GLN 117 1HE2 GLN 117 -9.738 9.285 7.525 725 HE22 GLN 117 2HE2 GLN 117 -9.347 9.652 5.848 726 H GLU 118 H GLU 118 -12.070 2.409 7.282 727 HA GLU 118 HA GLU 118 -14.625 2.894 5.830 728 HB3 GLU 118 2HB GLU 118 -12.779 2.222 4.412 729 HG3 GLU 118 2HG GLU 118 -11.922 0.319 5.880 730 H THR 119 H THR 119 -16.144 1.046 5.918 731 HA THR 119 HA THR 119 -16.184 -0.707 8.123 732 HB THR 119 HB THR 119 -18.478 0.826 8.757 733 HG1 THR 119 1HG THR 119 -17.847 2.858 9.157 734 HG21 THR 119 3HG2 THR 119 -17.163 -0.513 10.333 735 HG22 THR 119 1HG2 THR 119 -17.441 1.123 10.955 736 HG23 THR 119 2HG2 THR 119 -15.861 0.684 10.282 737 H SER 120 H SER 120 -18.143 -2.020 7.956 738 HA SER 120 HA SER 120 -19.417 -2.002 5.355 739 HB3 SER 120 2HB SER 120 -18.510 -3.993 6.605 740 HG SER 120 HG SER 120 -20.604 -4.669 7.922 741 H LYS 121 H LYS 121 -20.098 0.157 7.565 742 HA LYS 121 HA LYS 121 -22.629 -0.617 8.681 743 HB3 LYS 121 2HB LYS 121 -22.614 1.948 9.281 744 HG3 LYS 121 2HG LYS 121 -20.511 -0.023 10.290 745 HD3 LYS 121 2HD LYS 121 -21.404 2.707 11.266 746 HE3 LYS 121 2HE LYS 121 -19.582 1.428 13.091 747 HZ1 LYS 121 3HZ LYS 121 -22.377 2.030 13.764 748 HZ2 LYS 121 1HZ LYS 121 -21.345 3.246 13.384 749 HZ3 LYS 121 2HZ LYS 121 -21.017 2.298 14.654 750 H ASP 122 H ASP 122 -21.834 1.930 6.278 751 HA ASP 122 HA ASP 122 -24.216 1.548 4.708 752 HB3 ASP 122 2HB ASP 122 -24.000 4.028 6.463 753 H SER 123 H SER 123 -24.171 3.339 2.889 754 HA SER 123 HA SER 123 -21.533 4.621 2.548 755 HB3 SER 123 2HB SER 123 -21.298 3.589 0.291 756 HG SER 123 HG SER 123 -21.322 1.772 2.481 757 H SER 124 H SER 124 -21.824 6.574 1.602 758 HA SER 124 HA SER 124 -23.442 6.769 -0.762 759 HB3 SER 124 2HB SER 124 -24.581 8.929 0.001 760 HG SER 124 HG SER 124 -25.205 6.303 0.806 761 H GLY 125 H GLY 125 -21.868 9.041 1.616 762 HA2 GLY 125 1HA GLY 125 -19.470 9.406 0.922 763 HA3 GLY 125 2HA GLY 125 -20.111 9.966 -0.624 764 H THR 126 H THR 126 -22.198 10.948 1.678 765 HA THR 126 HA THR 126 -22.831 12.696 2.867 766 HB THR 126 HB THR 126 -20.274 13.049 3.556 767 HG1 THR 126 1HG THR 126 -21.224 14.409 4.877 768 HG21 THR 126 3HG2 THR 126 -19.638 14.376 1.432 769 HG22 THR 126 1HG2 THR 126 -19.406 15.251 2.946 770 HG23 THR 126 2HG2 THR 126 -20.798 15.603 1.911 Start of MODEL 16 1 H1 GLY 1 H GLY 1 19.559 -15.026 1.681 2 HA2 GLY 1 1HA GLY 1 17.513 -15.238 3.005 3 HA3 GLY 1 2HA GLY 1 18.750 -14.301 3.873 4 H CYS 2 H CYS 2 16.044 -14.034 4.496 5 HA CYS 2 HA CYS 2 14.750 -11.884 3.119 6 HB3 CYS 2 2HB CYS 2 13.251 -11.979 5.103 7 HG CYS 2 HG CYS 2 12.497 -13.547 3.331 8 H LEU 3 H LEU 3 14.611 -9.684 3.753 9 HA LEU 3 HA LEU 3 16.040 -8.775 6.132 10 HB3 LEU 3 2HB LEU 3 16.883 -7.793 3.387 11 HG LEU 3 HG LEU 3 17.033 -5.924 5.025 12 HD11 LEU 3 1HD1 LEU 3 18.629 -6.117 6.944 13 HD12 LEU 3 2HD1 LEU 3 18.710 -7.868 6.665 14 HD13 LEU 3 3HD1 LEU 3 17.183 -7.102 7.152 15 HD21 LEU 3 3HD2 LEU 3 19.726 -7.165 4.371 16 HD22 LEU 3 1HD2 LEU 3 19.392 -5.453 4.701 17 HD23 LEU 3 2HD2 LEU 3 18.726 -6.220 3.249 18 HA PRO 4 HA PRO 4 12.323 -6.148 5.332 19 HB3 PRO 4 2HB PRO 4 10.821 -7.693 6.260 20 HG3 PRO 4 2HG PRO 4 11.526 -9.274 7.925 21 HD3 PRO 4 2HD PRO 4 12.900 -9.664 6.043 22 H GLY 5 H GLY 5 12.078 -4.167 6.598 23 HA2 GLY 5 1HA GLY 5 12.745 -2.463 8.025 24 HA3 GLY 5 2HA GLY 5 13.795 -3.600 8.874 25 H PHE 6 H PHE 6 13.534 -1.905 5.704 26 HA PHE 6 HA PHE 6 16.428 -1.901 5.269 27 HB3 PHE 6 2HB PHE 6 15.298 -0.079 3.522 28 HD1 PHE 6 1HD PHE 6 14.966 -3.850 3.915 29 HD2 PHE 6 2HD PHE 6 16.250 -0.544 1.433 30 HE1 PHE 6 1HE PHE 6 15.682 -5.429 2.179 31 HE2 PHE 6 2HE PHE 6 16.919 -2.164 -0.340 32 HZ PHE 6 HZ PHE 6 16.599 -4.609 0.025 33 HA PRO 7 HA PRO 7 17.233 1.949 7.303 34 HB3 PRO 7 2HB PRO 7 19.408 1.576 6.663 35 HG3 PRO 7 2HG PRO 7 19.974 1.021 4.395 36 HD3 PRO 7 2HD PRO 7 18.521 -0.635 5.282 37 H GLY 8 H GLY 8 15.117 1.978 4.867 38 HA2 GLY 8 1HA GLY 8 14.524 4.818 5.137 39 HA3 GLY 8 2HA GLY 8 14.567 4.131 3.477 40 H ALA 9 H ALA 9 12.231 5.013 5.374 41 HA ALA 9 HA ALA 9 10.514 3.118 4.059 42 HB1 ALA 9 1HB ALA 9 10.291 3.521 7.085 43 HB2 ALA 9 2HB ALA 9 9.139 2.650 6.062 44 HB3 ALA 9 3HB ALA 9 10.772 2.006 6.278 45 HA PRO 10 HA PRO 10 8.421 7.029 3.580 46 HB3 PRO 10 2HB PRO 10 6.736 6.290 2.249 47 HG3 PRO 10 2HG PRO 10 6.291 4.009 2.206 48 HD3 PRO 10 2HD PRO 10 8.601 3.849 2.497 49 H CYS 11 H CYS 11 7.074 8.605 4.665 50 HA CYS 11 HA CYS 11 6.330 8.038 7.464 51 HB3 CYS 11 2HB CYS 11 8.423 9.060 7.806 52 HG CYS 11 HG CYS 11 9.069 11.587 6.857 53 H ALA 12 H ALA 12 5.381 10.290 8.210 54 HA ALA 12 HA ALA 12 3.612 11.715 8.190 55 HB1 ALA 12 1HB ALA 12 4.634 12.124 5.359 56 HB2 ALA 12 2HB ALA 12 3.695 13.277 6.275 57 HB3 ALA 12 3HB ALA 12 5.321 12.853 6.833 58 H ILE 13 H ILE 13 3.009 8.907 6.948 59 HA ILE 13 HA ILE 13 1.250 9.166 4.837 60 HB ILE 13 HB ILE 13 1.246 6.993 6.970 61 HG13 ILE 13 2HG1 ILE 13 3.265 7.673 4.984 62 HG21 ILE 13 1HG2 ILE 13 -0.758 6.852 5.515 63 HG22 ILE 13 2HG2 ILE 13 0.301 6.898 4.083 64 HG23 ILE 13 3HG2 ILE 13 0.358 5.530 5.184 65 HD11 ILE 13 3HD1 ILE 13 3.734 6.834 7.227 66 HD12 ILE 13 1HD1 ILE 13 3.003 5.261 6.776 67 HD13 ILE 13 2HD1 ILE 13 4.484 5.825 5.960 68 H LYS 14 H LYS 14 -0.860 9.638 4.597 69 HA LYS 14 HA LYS 14 -2.702 9.597 6.903 70 HB3 LYS 14 2HB LYS 14 -3.629 11.813 5.948 71 HG3 LYS 14 2HG LYS 14 -0.957 12.215 7.335 72 HD3 LYS 14 2HD LYS 14 -2.319 13.592 8.896 73 HE3 LYS 14 2HE LYS 14 -2.616 14.434 5.978 74 HZ1 LYS 14 3HZ LYS 14 -2.895 15.935 8.504 75 HZ2 LYS 14 1HZ LYS 14 -3.897 15.973 7.178 76 HZ3 LYS 14 2HZ LYS 14 -2.446 16.684 7.145 77 H ILE 15 H ILE 15 -4.879 9.342 6.336 78 HA ILE 15 HA ILE 15 -5.563 8.951 3.469 79 HB ILE 15 HB ILE 15 -6.338 6.955 5.658 80 HG13 ILE 15 2HG1 ILE 15 -3.988 6.876 5.577 81 HG21 ILE 15 1HG2 ILE 15 -6.255 6.616 2.623 82 HG22 ILE 15 2HG2 ILE 15 -6.941 5.492 3.786 83 HG23 ILE 15 3HG2 ILE 15 -7.727 7.045 3.570 84 HD11 ILE 15 3HD1 ILE 15 -4.864 4.564 3.799 85 HD12 ILE 15 1HD1 ILE 15 -3.394 4.658 4.772 86 HD13 ILE 15 2HD1 ILE 15 -4.978 4.582 5.570 87 H SER 16 H SER 16 -7.184 10.010 3.108 88 HA SER 16 HA SER 16 -9.220 10.899 5.150 89 HB3 SER 16 2HB SER 16 -9.462 13.017 3.973 90 HG SER 16 HG SER 16 -7.233 13.755 4.245 91 H LYS 17 H LYS 17 -11.105 12.016 3.356 92 HA LYS 17 HA LYS 17 -11.806 9.905 1.478 93 HB3 LYS 17 2HB LYS 17 -13.556 10.616 3.880 94 HG3 LYS 17 2HG LYS 17 -14.052 8.990 1.360 95 HD3 LYS 17 2HD LYS 17 -15.230 8.426 4.112 96 HE3 LYS 17 2HE LYS 17 -16.453 6.593 2.818 97 HZ1 LYS 17 3HZ LYS 17 -18.256 8.084 2.234 98 HZ2 LYS 17 1HZ LYS 17 -17.261 9.391 2.286 99 HZ3 LYS 17 2HZ LYS 17 -17.565 8.536 3.645 100 H SER 18 H SER 18 -13.198 10.726 -0.132 101 HA SER 18 HA SER 18 -14.155 13.502 -0.014 102 HB3 SER 18 2HB SER 18 -13.048 14.047 -2.123 103 HG SER 18 HG SER 18 -11.687 14.360 -0.385 104 HA PRO 19 HA PRO 19 -17.186 11.212 -2.494 105 HB3 PRO 19 2HB PRO 19 -18.603 12.955 -2.058 106 HG3 PRO 19 2HG PRO 19 -17.926 15.231 -2.262 107 HD3 PRO 19 2HD PRO 19 -16.403 14.279 -0.736 108 H ASP 20 H ASP 20 -15.241 10.431 -3.463 109 HA ASP 20 HA ASP 20 -15.301 10.145 -6.356 110 HB3 ASP 20 2HB ASP 20 -12.658 10.739 -6.211 111 H GLY 21 H GLY 21 -13.076 10.039 -3.495 112 HA2 GLY 21 1HA GLY 21 -12.709 7.248 -3.271 113 HA3 GLY 21 2HA GLY 21 -11.598 7.914 -4.474 114 H ALA 22 H ALA 22 -9.991 7.236 -2.869 115 HA ALA 22 HA ALA 22 -9.912 8.728 -0.298 116 HB1 ALA 22 1HB ALA 22 -8.823 6.040 -1.172 117 HB2 ALA 22 2HB ALA 22 -8.596 6.719 0.432 118 HB3 ALA 22 3HB ALA 22 -10.222 6.325 -0.104 119 H HIS 23 H HIS 23 -8.559 10.365 -0.288 120 HA HIS 23 HA HIS 23 -6.185 11.010 -1.727 121 HB3 HIS 23 2HB HIS 23 -5.871 12.354 0.507 122 HD1 HIS 23 1HD HIS 23 -8.671 12.280 -2.149 123 HD2 HIS 23 2HD HIS 23 -6.707 14.849 0.539 124 HE1 HIS 23 1HE HIS 23 -9.449 14.635 -2.723 125 H LEU 24 H LEU 24 -5.126 8.794 -1.665 126 HA LEU 24 HA LEU 24 -3.896 8.036 0.886 127 HB3 LEU 24 2HB LEU 24 -2.575 6.604 -0.996 128 HG LEU 24 HG LEU 24 -4.225 4.852 -0.821 129 HD11 LEU 24 1HD1 LEU 24 -4.260 4.441 1.512 130 HD12 LEU 24 2HD1 LEU 24 -4.019 6.147 1.862 131 HD13 LEU 24 3HD1 LEU 24 -2.724 5.202 1.100 132 HD21 LEU 24 3HD2 LEU 24 -6.071 6.884 0.413 133 HD22 LEU 24 1HD2 LEU 24 -6.348 5.129 0.384 134 HD23 LEU 24 2HD2 LEU 24 -6.277 6.044 -1.127 135 H THR 25 H THR 25 -2.322 9.341 1.734 136 HA THR 25 HA THR 25 -0.248 10.377 -0.150 137 HB THR 25 HB THR 25 -2.041 12.032 0.616 138 HG1 THR 25 1HG THR 25 0.483 13.038 1.270 139 HG21 THR 25 3HG2 THR 25 -1.981 11.463 3.031 140 HG22 THR 25 1HG2 THR 25 -1.756 13.190 2.708 141 HG23 THR 25 2HG2 THR 25 -0.370 12.172 3.145 142 H TRP 26 H TRP 26 1.641 10.897 0.751 143 HA TRP 26 HA TRP 26 2.619 10.396 3.421 144 HB3 TRP 26 2HB TRP 26 2.397 8.027 2.924 145 HD1 TRP 26 HD TRP 26 5.249 8.588 0.386 146 HE1 TRP 26 1HE TRP 26 4.513 7.685 -1.889 147 HE3 TRP 26 3HE TRP 26 0.605 6.953 1.668 148 HZ2 TRP 26 2HZ TRP 26 1.998 6.753 -3.067 149 HZ3 TRP 26 3HZ TRP 26 -0.892 5.967 0.017 150 HH2 TRP 26 HH TRP 26 -0.258 6.000 -2.421 151 H GLU 27 H GLU 27 5.149 10.215 3.362 152 HA GLU 27 HA GLU 27 6.152 12.066 1.238 153 HB3 GLU 27 2HB GLU 27 7.792 12.691 3.143 154 HG3 GLU 27 2HG GLU 27 4.849 13.432 3.400 155 HA PRO 28 HA PRO 28 9.591 9.286 0.421 156 HB3 PRO 28 2HB PRO 28 10.505 10.833 -0.990 157 HG3 PRO 28 2HG PRO 28 10.353 13.178 -0.528 158 HD3 PRO 28 2HD PRO 28 8.180 12.241 -0.482 159 HA PRO 29 HA PRO 29 11.390 8.505 4.440 160 HB3 PRO 29 2HB PRO 29 12.230 6.481 3.713 161 HG3 PRO 29 2HG PRO 29 12.952 6.178 1.498 162 HD3 PRO 29 2HD PRO 29 10.872 7.208 1.240 163 H SER 30 H SER 30 12.649 9.671 5.883 164 HA SER 30 HA SER 30 14.611 11.631 4.861 165 HB3 SER 30 2HB SER 30 12.451 12.071 6.971 166 HG SER 30 HG SER 30 13.120 14.306 6.343 167 H VAL 31 H VAL 31 15.559 9.407 5.369 168 HA VAL 31 HA VAL 31 16.741 9.605 8.031 169 HB VAL 31 HB VAL 31 17.007 6.933 7.764 170 HG11 VAL 31 1HG1 VAL 31 16.255 8.165 9.763 171 HG12 VAL 31 2HG1 VAL 31 14.622 8.246 9.071 172 HG13 VAL 31 3HG1 VAL 31 15.344 6.678 9.482 173 HG21 VAL 31 3HG2 VAL 31 14.144 7.403 6.800 174 HG22 VAL 31 1HG2 VAL 31 15.466 6.805 5.769 175 HG23 VAL 31 2HG2 VAL 31 14.926 5.861 7.168 176 H THR 32 H THR 32 17.343 7.217 5.398 177 HA THR 32 HA THR 32 19.984 8.535 5.032 178 HB THR 32 HB THR 32 20.802 6.348 4.468 179 HG1 THR 32 1HG THR 32 18.325 5.186 5.242 180 HG21 THR 32 3HG2 THR 32 20.774 5.382 6.637 181 HG22 THR 32 1HG2 THR 32 19.157 6.010 7.000 182 HG23 THR 32 2HG2 THR 32 20.539 7.109 6.905 183 H SER 33 H SER 33 20.966 8.205 2.865 184 HA SER 33 HA SER 33 19.572 9.662 1.044 185 HB3 SER 33 2HB SER 33 21.443 9.154 -0.499 186 HG SER 33 HG SER 33 22.543 9.150 2.100 187 H GLY 34 H GLY 34 20.509 6.268 0.144 188 HA2 GLY 34 1HA GLY 34 19.445 4.792 -1.246 189 HA3 GLY 34 2HA GLY 34 17.908 5.642 -0.997 190 H LYS 35 H LYS 35 18.120 5.053 -3.479 191 HA LYS 35 HA LYS 35 18.666 7.581 -4.827 192 HB3 LYS 35 2HB LYS 35 19.139 4.892 -6.149 193 HG3 LYS 35 2HG LYS 35 20.179 7.700 -6.390 194 HD3 LYS 35 2HD LYS 35 20.597 5.282 -8.170 195 HE3 LYS 35 2HE LYS 35 20.315 7.552 -9.350 196 HZ1 LYS 35 3HZ LYS 35 21.832 8.801 -7.860 197 HZ2 LYS 35 1HZ LYS 35 22.249 8.869 -9.441 198 HZ3 LYS 35 2HZ LYS 35 23.112 7.914 -8.448 199 H ILE 36 H ILE 36 16.423 7.783 -4.177 200 HA ILE 36 HA ILE 36 14.401 5.896 -5.108 201 HB ILE 36 HB ILE 36 14.233 8.629 -3.812 202 HG13 ILE 36 2HG1 ILE 36 13.367 5.799 -3.065 203 HG21 ILE 36 1HG2 ILE 36 11.862 7.000 -4.848 204 HG22 ILE 36 2HG2 ILE 36 11.771 8.427 -3.792 205 HG23 ILE 36 3HG2 ILE 36 12.373 8.607 -5.425 206 HD11 ILE 36 3HD1 ILE 36 14.520 6.180 -0.958 207 HD12 ILE 36 1HD1 ILE 36 15.665 6.166 -2.311 208 HD13 ILE 36 2HD1 ILE 36 15.172 7.712 -1.558 209 H ILE 37 H ILE 37 13.184 5.942 -6.900 210 HA ILE 37 HA ILE 37 13.529 8.120 -8.875 211 HB ILE 37 HB ILE 37 13.531 6.275 -10.614 212 HG13 ILE 37 2HG1 ILE 37 12.837 4.436 -9.015 213 HG21 ILE 37 1HG2 ILE 37 15.974 6.051 -10.543 214 HG22 ILE 37 2HG2 ILE 37 15.489 7.661 -10.038 215 HG23 ILE 37 3HG2 ILE 37 15.990 6.494 -8.813 216 HD11 ILE 37 3HD1 ILE 37 15.384 3.840 -10.567 217 HD12 ILE 37 1HD1 ILE 37 14.238 2.661 -9.927 218 HD13 ILE 37 2HD1 ILE 37 13.722 3.786 -11.202 219 H GLU 38 H GLU 38 11.445 5.845 -7.195 220 HA GLU 38 HA GLU 38 9.045 6.726 -8.559 221 HB3 GLU 38 2HB GLU 38 8.875 3.924 -8.739 222 HG3 GLU 38 2HG GLU 38 9.439 6.012 -10.835 223 H TYR 39 H TYR 39 7.168 5.362 -7.420 224 HA TYR 39 HA TYR 39 7.943 4.376 -4.726 225 HB3 TYR 39 2HB TYR 39 5.512 5.949 -4.567 226 HD1 TYR 39 1HD TYR 39 5.674 5.035 -2.211 227 HD2 TYR 39 2HD TYR 39 8.772 7.527 -3.907 228 HE1 TYR 39 1HE TYR 39 6.465 5.578 0.041 229 HE2 TYR 39 2HE TYR 39 9.580 8.054 -1.629 230 HH TYR 39 HH TYR 39 8.016 7.885 1.055 231 H SER 40 H SER 40 6.028 3.073 -3.721 232 HA SER 40 HA SER 40 4.037 2.271 -5.686 233 HB3 SER 40 2HB SER 40 5.928 0.204 -4.492 234 HG SER 40 HG SER 40 3.863 0.137 -6.440 235 H VAL 41 H VAL 41 2.342 1.031 -4.866 236 HA VAL 41 HA VAL 41 2.120 0.747 -1.930 237 HB VAL 41 HB VAL 41 -0.092 1.737 -3.772 238 HG11 VAL 41 1HG1 VAL 41 0.030 1.520 -0.735 239 HG12 VAL 41 2HG1 VAL 41 -1.293 2.257 -1.665 240 HG13 VAL 41 3HG1 VAL 41 -0.970 0.534 -1.827 241 HG21 VAL 41 3HG2 VAL 41 1.459 3.572 -3.592 242 HG22 VAL 41 1HG2 VAL 41 0.061 3.888 -2.590 243 HG23 VAL 41 2HG2 VAL 41 1.588 3.366 -1.834 244 H TYR 42 H TYR 42 1.092 -1.090 -1.343 245 HA TYR 42 HA TYR 42 0.001 -2.906 -3.433 246 HB3 TYR 42 2HB TYR 42 0.732 -4.755 -2.173 247 HD1 TYR 42 2HD TYR 42 2.292 -3.102 -4.214 248 HD2 TYR 42 1HD TYR 42 3.228 -4.457 -0.223 249 HE1 TYR 42 2HE TYR 42 4.698 -2.995 -4.744 250 HE2 TYR 42 1HE TYR 42 5.628 -4.385 -0.762 251 HH TYR 42 HH TYR 42 6.815 -3.554 -4.011 252 H LEU 43 H LEU 43 -2.176 -3.040 -3.259 253 HA LEU 43 HA LEU 43 -3.536 -2.269 -0.706 254 HB3 LEU 43 2HB LEU 43 -4.332 -2.013 -3.629 255 HG LEU 43 HG LEU 43 -6.319 -2.772 -2.337 256 HD11 LEU 43 1HD1 LEU 43 -7.320 -1.270 -0.676 257 HD12 LEU 43 2HD1 LEU 43 -5.884 -0.242 -0.718 258 HD13 LEU 43 3HD1 LEU 43 -5.776 -1.901 -0.106 259 HD21 LEU 43 3HD2 LEU 43 -7.803 -0.891 -2.986 260 HD22 LEU 43 1HD2 LEU 43 -6.653 -1.316 -4.253 261 HD23 LEU 43 2HD2 LEU 43 -6.374 0.131 -3.254 262 H ALA 44 H ALA 44 -4.790 -3.876 0.207 263 HA ALA 44 HA ALA 44 -4.768 -6.550 -0.984 264 HB1 ALA 44 1HB ALA 44 -5.860 -7.208 1.061 265 HB2 ALA 44 2HB ALA 44 -4.614 -6.040 1.522 266 HB3 ALA 44 3HB ALA 44 -6.305 -5.522 1.444 267 H ILE 45 H ILE 45 -6.451 -7.483 -2.201 268 HA ILE 45 HA ILE 45 -8.987 -6.059 -2.436 269 HB ILE 45 HB ILE 45 -8.919 -5.706 -4.740 270 HG13 ILE 45 2HG1 ILE 45 -7.005 -6.282 -6.250 271 HG21 ILE 45 1HG2 ILE 45 -7.014 -4.244 -5.207 272 HG22 ILE 45 2HG2 ILE 45 -7.703 -3.976 -3.599 273 HG23 ILE 45 3HG2 ILE 45 -6.165 -4.858 -3.810 274 HD11 ILE 45 3HD1 ILE 45 -5.611 -8.167 -5.819 275 HD12 ILE 45 1HD1 ILE 45 -5.353 -7.059 -4.447 276 HD13 ILE 45 2HD1 ILE 45 -6.388 -8.495 -4.273 277 H GLN 46 H GLN 46 -10.375 -7.342 -4.142 278 HA GLN 46 HA GLN 46 -9.930 -10.271 -3.917 279 HB3 GLN 46 2HB GLN 46 -11.915 -9.817 -2.817 280 HG3 GLN 46 2HG GLN 46 -12.273 -7.641 -4.696 281 HE21 GLN 46 1HE2 GLN 46 -13.148 -8.520 -6.661 282 HE22 GLN 46 2HE2 GLN 46 -14.906 -8.550 -6.772 283 H SER 47 H SER 47 -8.371 -10.099 -5.705 284 HA SER 47 HA SER 47 -9.758 -10.896 -8.022 285 HB3 SER 47 2HB SER 47 -9.799 -8.482 -8.510 286 HG SER 47 HG SER 47 -8.029 -7.296 -8.716 287 H SER 48 H SER 48 -8.189 -11.780 -9.645 288 HA SER 48 HA SER 48 -5.885 -12.996 -8.354 289 HB3 SER 48 2HB SER 48 -5.681 -14.253 -10.408 290 HG SER 48 HG SER 48 -7.477 -14.843 -9.116 291 H GLN 49 H GLN 49 -3.860 -12.981 -10.093 292 HA GLN 49 HA GLN 49 -2.166 -11.925 -11.046 293 HB3 GLN 49 2HB GLN 49 -2.455 -9.976 -12.425 294 HG3 GLN 49 2HG GLN 49 -4.867 -11.812 -12.777 295 HE21 GLN 49 1HE2 GLN 49 -2.178 -10.213 -14.638 296 HE22 GLN 49 2HE2 GLN 49 -3.265 -9.542 -15.820 297 H ALA 50 H ALA 50 -1.115 -11.797 -9.102 298 HA ALA 50 HA ALA 50 -0.412 -9.017 -8.452 299 HB1 ALA 50 1HB ALA 50 -1.779 -9.665 -6.536 300 HB2 ALA 50 2HB ALA 50 -0.910 -11.208 -6.386 301 HB3 ALA 50 3HB ALA 50 -0.070 -9.681 -6.050 302 H SER 51 H SER 51 1.743 -8.785 -8.448 303 HA SER 51 HA SER 51 3.648 -10.184 -7.290 304 HB3 SER 51 2HB SER 51 4.998 -10.887 -9.543 305 HG SER 51 HG SER 51 4.685 -12.119 -7.630 306 H GLY 52 H GLY 52 5.314 -8.707 -7.070 307 HA2 GLY 52 1HA GLY 52 6.105 -6.972 -9.278 308 HA3 GLY 52 2HA GLY 52 5.091 -6.185 -8.059 309 H GLU 53 H GLU 53 7.362 -8.668 -7.014 310 HA GLU 53 HA GLU 53 8.788 -6.560 -5.495 311 HB3 GLU 53 2HB GLU 53 7.570 -7.419 -3.794 312 HG3 GLU 53 2HG GLU 53 7.159 -9.950 -5.373 313 HA PRO 54 HA PRO 54 12.561 -8.900 -6.361 314 HB3 PRO 54 2HB PRO 54 13.773 -7.197 -5.424 315 HG3 PRO 54 2HG PRO 54 12.970 -5.930 -3.621 316 HD3 PRO 54 2HD PRO 54 11.071 -5.901 -4.961 317 H LYS 55 H LYS 55 13.989 -10.597 -5.173 318 HA LYS 55 HA LYS 55 14.248 -12.605 -4.259 319 HB3 LYS 55 2HB LYS 55 12.562 -11.741 -1.907 320 HG3 LYS 55 2HG LYS 55 13.939 -13.980 -2.101 321 HD3 LYS 55 2HD LYS 55 16.064 -12.602 -2.836 322 HE3 LYS 55 2HE LYS 55 16.177 -12.328 0.211 323 HZ1 LYS 55 3HZ LYS 55 18.343 -12.575 -0.977 324 HZ2 LYS 55 1HZ LYS 55 18.147 -11.096 -0.236 325 HZ3 LYS 55 2HZ LYS 55 17.985 -11.214 -1.837 326 H SER 56 H SER 56 12.715 -13.100 -6.160 327 HA SER 56 HA SER 56 10.076 -14.034 -5.653 328 HB3 SER 56 2HB SER 56 10.129 -14.757 -7.924 329 HG SER 56 HG SER 56 10.517 -12.935 -8.835 330 H SER 57 H SER 57 11.560 -15.285 -3.712 331 HA SER 57 HA SER 57 10.817 -18.086 -4.219 332 HB3 SER 57 2HB SER 57 12.828 -18.984 -3.866 333 HG SER 57 HG SER 57 13.749 -17.324 -5.017 334 H THR 58 H THR 58 10.053 -15.338 -2.682 335 HA THR 58 HA THR 58 10.323 -16.012 0.077 336 HB THR 58 HB THR 58 10.353 -13.743 -0.808 337 HG1 THR 58 1HG THR 58 8.035 -13.536 0.650 338 HG21 THR 58 3HG2 THR 58 8.284 -12.546 -1.463 339 HG22 THR 58 1HG2 THR 58 7.409 -14.088 -1.549 340 HG23 THR 58 2HG2 THR 58 8.764 -13.747 -2.650 341 HA PRO 59 HA PRO 59 6.692 -18.579 0.647 342 HB3 PRO 59 2HB PRO 59 6.932 -18.762 2.892 343 HG3 PRO 59 2HG PRO 59 8.058 -17.068 4.108 344 HD3 PRO 59 2HD PRO 59 9.375 -17.520 2.172 345 H ALA 60 H ALA 60 4.346 -18.495 0.574 346 HA ALA 60 HA ALA 60 3.503 -16.362 -1.205 347 HB1 ALA 60 1HB ALA 60 2.178 -18.924 -0.242 348 HB2 ALA 60 2HB ALA 60 1.561 -17.863 -1.524 349 HB3 ALA 60 3HB ALA 60 3.097 -18.715 -1.757 350 H GLN 61 H GLN 61 3.753 -14.971 0.821 351 HA GLN 61 HA GLN 61 1.451 -14.997 2.686 352 HB3 GLN 61 2HB GLN 61 2.542 -13.173 3.794 353 HG3 GLN 61 2HG GLN 61 4.959 -14.782 2.986 354 HE21 GLN 61 1HE2 GLN 61 5.121 -16.043 5.635 355 HE22 GLN 61 2HE2 GLN 61 5.063 -14.771 6.845 356 H LEU 62 H LEU 62 -0.068 -13.270 2.871 357 HA LEU 62 HA LEU 62 -1.698 -12.050 2.111 358 HB3 LEU 62 2HB LEU 62 -0.991 -9.826 1.719 359 HG LEU 62 HG LEU 62 1.308 -11.128 3.262 360 HD11 LEU 62 1HD1 LEU 62 1.787 -8.825 2.245 361 HD12 LEU 62 2HD1 LEU 62 2.081 -9.071 3.973 362 HD13 LEU 62 3HD1 LEU 62 0.635 -8.209 3.443 363 HD21 LEU 62 3HD2 LEU 62 0.162 -10.332 5.276 364 HD22 LEU 62 1HD2 LEU 62 -0.856 -11.461 4.376 365 HD23 LEU 62 2HD2 LEU 62 -1.190 -9.730 4.289 366 H ALA 63 H ALA 63 -1.823 -10.324 -0.206 367 HA ALA 63 HA ALA 63 -0.766 -11.090 -2.568 368 HB1 ALA 63 1HB ALA 63 -1.738 -13.155 -2.921 369 HB2 ALA 63 2HB ALA 63 -3.260 -12.721 -2.142 370 HB3 ALA 63 3HB ALA 63 -2.877 -12.080 -3.747 371 H PHE 64 H PHE 64 -0.776 -9.030 -3.199 372 HA PHE 64 HA PHE 64 -3.238 -7.379 -2.852 373 HB3 PHE 64 2HB PHE 64 -1.614 -5.555 -2.276 374 HD1 PHE 64 2HD PHE 64 -3.347 -7.987 -0.686 375 HD2 PHE 64 1HD PHE 64 0.374 -5.859 -0.131 376 HE1 PHE 64 2HE PHE 64 -3.424 -8.473 1.696 377 HE2 PHE 64 1HE PHE 64 0.231 -6.309 2.276 378 HZ PHE 64 HZ PHE 64 -1.569 -7.760 3.160 379 H MET 65 H MET 65 -3.515 -5.725 -4.318 380 HA MET 65 HA MET 65 -2.336 -6.129 -6.991 381 HB3 MET 65 2HB MET 65 -4.469 -4.165 -6.012 382 HG3 MET 65 2HG MET 65 -3.268 -4.848 -8.685 383 HE1 MET 65 3HE MET 65 -7.592 -3.222 -8.553 384 HE2 MET 65 1HE MET 65 -6.496 -3.265 -7.153 385 HE3 MET 65 2HE MET 65 -6.289 -2.051 -8.441 386 H ARG 66 H ARG 66 -0.706 -4.855 -7.764 387 HA ARG 66 HA ARG 66 0.587 -2.917 -5.980 388 HB3 ARG 66 2HB ARG 66 1.400 -3.808 -8.786 389 HG3 ARG 66 2HG ARG 66 2.877 -2.588 -6.413 390 HD3 ARG 66 2HD ARG 66 4.205 -4.432 -7.444 391 HE ARG 66 HE ARG 66 3.327 -3.469 -9.901 392 HH11 ARG 66 1HH1 ARG 66 6.497 -4.393 -8.573 393 HH12 ARG 66 2HH1 ARG 66 7.240 -4.478 -10.121 394 HH21 ARG 66 1HH2 ARG 66 4.351 -3.458 -11.883 395 HH22 ARG 66 2HH2 ARG 66 6.078 -3.563 -12.012 396 H VAL 67 H VAL 67 -1.608 -1.837 -6.182 397 HA VAL 67 HA VAL 67 -2.681 -0.678 -8.422 398 HB VAL 67 HB VAL 67 -3.714 1.001 -6.792 399 HG11 VAL 67 1HG1 VAL 67 -4.055 -1.907 -6.070 400 HG12 VAL 67 2HG1 VAL 67 -5.230 -0.572 -5.889 401 HG13 VAL 67 3HG1 VAL 67 -4.739 -1.086 -7.495 402 HG21 VAL 67 3HG2 VAL 67 -3.496 0.613 -4.408 403 HG22 VAL 67 1HG2 VAL 67 -2.358 -0.727 -4.656 404 HG23 VAL 67 2HG2 VAL 67 -1.886 0.938 -5.055 405 H TYR 68 H TYR 68 0.102 0.510 -6.717 406 HA TYR 68 HA TYR 68 0.215 2.942 -8.432 407 HB3 TYR 68 2HB TYR 68 1.001 2.664 -5.523 408 HD1 TYR 68 1HD TYR 68 3.115 3.925 -6.866 409 HD2 TYR 68 2HD TYR 68 -0.671 5.599 -5.583 410 HE1 TYR 68 1HE TYR 68 4.187 6.031 -6.465 411 HE2 TYR 68 2HE TYR 68 0.444 7.770 -5.198 412 HH TYR 68 HH TYR 68 3.361 8.711 -6.224 413 H CYS 69 H CYS 69 2.053 2.683 -9.666 414 HA CYS 69 HA CYS 69 4.511 1.758 -8.436 415 HB3 CYS 69 2HB CYS 69 3.629 0.334 -10.982 416 HG CYS 69 HG CYS 69 6.226 0.468 -10.452 417 H GLY 70 H GLY 70 4.877 4.148 -8.838 418 HA2 GLY 70 1HA GLY 70 5.845 4.708 -11.465 419 HA3 GLY 70 2HA GLY 70 4.235 5.405 -11.225 420 HA PRO 71 HA PRO 71 7.570 8.154 -9.389 421 HB3 PRO 71 2HB PRO 71 8.565 8.461 -11.517 422 HG3 PRO 71 2HG PRO 71 7.181 8.714 -13.486 423 HD3 PRO 71 2HD PRO 71 6.766 6.582 -12.591 424 H SER 72 H SER 72 4.347 8.507 -10.385 425 HA SER 72 HA SER 72 3.727 11.154 -10.139 426 HB3 SER 72 2HB SER 72 1.485 10.444 -10.144 427 HG SER 72 HG SER 72 2.570 9.212 -11.818 428 HA PRO 73 HA PRO 73 3.571 11.999 -5.662 429 HB3 PRO 73 2HB PRO 73 3.406 14.231 -6.383 430 HG3 PRO 73 2HG PRO 73 1.852 14.885 -8.091 431 HD3 PRO 73 2HD PRO 73 3.325 13.329 -9.059 432 H SER 74 H SER 74 1.462 12.589 -4.055 433 HA SER 74 HA SER 74 0.129 10.327 -3.402 434 HB3 SER 74 2HB SER 74 -0.857 11.678 -1.800 435 HG SER 74 HG SER 74 1.251 12.335 -1.735 436 H CYS 75 H CYS 75 -1.330 9.135 -4.639 437 HA CYS 75 HA CYS 75 -3.092 10.591 -6.571 438 HB3 CYS 75 2HB CYS 75 -3.377 8.276 -7.537 439 HG CYS 75 HG CYS 75 -0.352 9.628 -7.281 440 H LEU 76 H LEU 76 -5.271 10.560 -6.291 441 HA LEU 76 HA LEU 76 -6.563 9.392 -4.037 442 HB3 LEU 76 2HB LEU 76 -7.560 10.480 -6.684 443 HG LEU 76 HG LEU 76 -9.076 9.173 -4.497 444 HD11 LEU 76 1HD1 LEU 76 -10.898 10.840 -4.442 445 HD12 LEU 76 2HD1 LEU 76 -9.900 11.957 -5.389 446 HD13 LEU 76 3HD1 LEU 76 -9.396 11.474 -3.755 447 HD21 LEU 76 3HD2 LEU 76 -9.310 8.573 -6.912 448 HD22 LEU 76 1HD2 LEU 76 -9.916 10.195 -7.249 449 HD23 LEU 76 2HD2 LEU 76 -10.850 9.100 -6.217 450 H VAL 77 H VAL 77 -7.048 7.259 -3.717 451 HA VAL 77 HA VAL 77 -7.007 5.296 -5.905 452 HB VAL 77 HB VAL 77 -7.899 5.030 -2.999 453 HG11 VAL 77 1HG1 VAL 77 -7.257 2.879 -5.076 454 HG12 VAL 77 2HG1 VAL 77 -7.735 2.605 -3.384 455 HG13 VAL 77 3HG1 VAL 77 -8.889 3.299 -4.527 456 HG21 VAL 77 3HG2 VAL 77 -5.446 5.506 -3.243 457 HG22 VAL 77 1HG2 VAL 77 -5.765 3.873 -2.639 458 HG23 VAL 77 2HG2 VAL 77 -5.321 4.122 -4.341 459 H GLN 78 H GLN 78 -8.646 5.304 -7.292 460 HA GLN 78 HA GLN 78 -11.118 6.710 -6.922 461 HB3 GLN 78 2HB GLN 78 -11.790 5.509 -9.015 462 HG3 GLN 78 2HG GLN 78 -8.969 6.656 -9.163 463 HE21 GLN 78 1HE2 GLN 78 -8.161 6.158 -11.209 464 HE22 GLN 78 2HE2 GLN 78 -9.169 5.971 -12.644 465 H SER 79 H SER 79 -13.259 5.823 -6.887 466 HA SER 79 HA SER 79 -13.790 4.165 -4.807 467 HB3 SER 79 2HB SER 79 -15.423 5.667 -5.812 468 HG SER 79 HG SER 79 -15.356 5.337 -8.007 469 H SER 80 H SER 80 -13.782 3.014 -8.259 470 HA SER 80 HA SER 80 -14.583 0.429 -7.646 471 HB3 SER 80 2HB SER 80 -14.615 1.158 -9.896 472 HG SER 80 HG SER 80 -12.958 2.554 -10.083 473 H SER 81 H SER 81 -11.338 1.735 -7.069 474 HA SER 81 HA SER 81 -10.301 -0.993 -6.769 475 HB3 SER 81 2HB SER 81 -8.618 1.031 -5.516 476 HG SER 81 HG SER 81 -8.058 -0.356 -7.896 477 H LEU 82 H LEU 82 -11.546 1.641 -4.750 478 HA LEU 82 HA LEU 82 -10.892 0.516 -2.174 479 HB3 LEU 82 2HB LEU 82 -12.732 2.052 -1.373 480 HG LEU 82 HG LEU 82 -10.764 3.384 -3.275 481 HD11 LEU 82 1HD1 LEU 82 -12.345 4.552 -0.962 482 HD12 LEU 82 2HD1 LEU 82 -12.708 4.797 -2.683 483 HD13 LEU 82 3HD1 LEU 82 -11.191 5.409 -2.026 484 HD21 LEU 82 3HD2 LEU 82 -9.448 3.823 -1.198 485 HD22 LEU 82 1HD2 LEU 82 -9.560 2.105 -1.552 486 HD23 LEU 82 2HD2 LEU 82 -10.594 2.808 -0.283 487 H SER 83 H SER 83 -13.836 0.397 -4.221 488 HA SER 83 HA SER 83 -15.454 -1.069 -2.531 489 HB3 SER 83 2HB SER 83 -16.722 -1.473 -4.613 490 HG SER 83 HG SER 83 -16.993 0.671 -5.081 491 H ASN 84 H ASN 84 -12.765 -2.238 -4.433 492 HA ASN 84 HA ASN 84 -13.573 -5.097 -4.167 493 HB3 ASN 84 2HB ASN 84 -11.254 -5.351 -5.363 494 HD21 ASN 84 1HD2 ASN 84 -13.052 -2.898 -7.168 495 HD22 ASN 84 2HD2 ASN 84 -13.768 -4.050 -8.278 496 H ALA 85 H ALA 85 -11.938 -2.749 -2.224 497 HA ALA 85 HA ALA 85 -9.558 -4.158 -1.729 498 HB1 ALA 85 1HB ALA 85 -9.193 -2.472 -0.014 499 HB2 ALA 85 2HB ALA 85 -9.825 -1.706 -1.487 500 HB3 ALA 85 3HB ALA 85 -10.901 -1.992 -0.090 501 H HIS 86 H HIS 86 -8.904 -5.204 0.113 502 HA HIS 86 HA HIS 86 -11.008 -6.900 1.299 503 HB3 HIS 86 2HB HIS 86 -8.018 -7.272 1.582 504 HD1 HIS 86 1HD HIS 86 -9.113 -8.557 4.047 505 HD2 HIS 86 2HD HIS 86 -10.028 -10.097 0.211 506 HE1 HIS 86 1HE HIS 86 -9.760 -10.927 4.399 507 H ILE 87 H ILE 87 -11.620 -6.914 3.327 508 HA ILE 87 HA ILE 87 -10.772 -4.936 5.287 509 HB ILE 87 HB ILE 87 -12.473 -7.435 5.699 510 HG13 ILE 87 2HG1 ILE 87 -14.533 -6.308 5.175 511 HG21 ILE 87 1HG2 ILE 87 -11.997 -6.313 7.739 512 HG22 ILE 87 2HG2 ILE 87 -12.438 -4.732 7.063 513 HG23 ILE 87 3HG2 ILE 87 -13.688 -5.949 7.355 514 HD11 ILE 87 3HD1 ILE 87 -14.610 -4.347 3.746 515 HD12 ILE 87 1HD1 ILE 87 -13.984 -3.944 5.335 516 HD13 ILE 87 2HD1 ILE 87 -12.873 -4.087 3.937 517 H ASP 88 H ASP 88 -9.261 -5.120 6.797 518 HA ASP 88 HA ASP 88 -7.726 -7.451 7.134 519 HB3 ASP 88 2HB ASP 88 -8.130 -5.017 8.910 520 H TYR 89 H TYR 89 -8.644 -9.365 7.839 521 HA TYR 89 HA TYR 89 -10.275 -9.250 10.346 522 HB3 TYR 89 2HB TYR 89 -10.562 -11.789 9.691 523 HD1 TYR 89 2HD TYR 89 -11.749 -9.154 7.277 524 HD2 TYR 89 1HD TYR 89 -12.691 -11.654 10.665 525 HE1 TYR 89 2HE TYR 89 -14.063 -8.233 7.329 526 HE2 TYR 89 1HE TYR 89 -14.952 -10.697 10.764 527 HH TYR 89 HH TYR 89 -16.228 -8.886 10.059 528 H THR 90 H THR 90 -7.991 -8.482 10.947 529 HA THR 90 HA THR 90 -7.032 -10.825 12.431 530 HB THR 90 HB THR 90 -4.786 -9.050 11.969 531 HG1 THR 90 1HG THR 90 -5.523 -8.538 9.918 532 HG21 THR 90 3HG2 THR 90 -5.440 -11.879 11.088 533 HG22 THR 90 1HG2 THR 90 -4.756 -11.419 12.669 534 HG23 THR 90 2HG2 THR 90 -3.816 -11.175 11.186 535 H THR 91 H THR 91 -7.652 -7.352 12.421 536 HA THR 91 HA THR 91 -7.370 -7.379 15.383 537 HB THR 91 HB THR 91 -6.172 -5.164 15.151 538 HG1 THR 91 1HG THR 91 -6.124 -5.993 12.468 539 HG21 THR 91 3HG2 THR 91 -4.537 -7.494 14.093 540 HG22 THR 91 1HG2 THR 91 -4.977 -7.243 15.795 541 HG23 THR 91 2HG2 THR 91 -3.964 -6.057 14.971 542 H LYS 92 H LYS 92 -8.237 -5.308 12.530 543 HA LYS 92 HA LYS 92 -10.795 -4.658 13.768 544 HB3 LYS 92 2HB LYS 92 -10.336 -2.185 13.195 545 HG3 LYS 92 2HG LYS 92 -8.570 -3.079 15.470 546 HD3 LYS 92 2HD LYS 92 -9.007 -0.594 14.994 547 HE3 LYS 92 2HE LYS 92 -11.788 -1.619 15.621 548 HZ1 LYS 92 3HZ LYS 92 -12.482 0.357 16.405 549 HZ2 LYS 92 1HZ LYS 92 -11.371 1.228 15.585 550 HZ3 LYS 92 2HZ LYS 92 -10.931 0.465 16.973 551 HA PRO 93 HA PRO 93 -11.593 -4.950 9.430 552 HB3 PRO 93 2HB PRO 93 -13.782 -5.420 10.012 553 HG3 PRO 93 2HG PRO 93 -14.876 -4.263 11.775 554 HD3 PRO 93 2HD PRO 93 -12.881 -5.086 12.722 555 H ALA 94 H ALA 94 -9.999 -3.713 8.536 556 HA ALA 94 HA ALA 94 -10.571 -0.941 7.714 557 HB1 ALA 94 1HB ALA 94 -8.294 -0.351 8.515 558 HB2 ALA 94 2HB ALA 94 -9.152 -1.134 9.867 559 HB3 ALA 94 3HB ALA 94 -7.961 -2.028 8.914 560 H ILE 95 H ILE 95 -9.293 -0.408 5.754 561 HA ILE 95 HA ILE 95 -8.565 -2.743 4.103 562 HB ILE 95 HB ILE 95 -8.525 0.270 3.696 563 HG13 ILE 95 2HG1 ILE 95 -10.656 -1.147 3.476 564 HG21 ILE 95 1HG2 ILE 95 -7.440 -1.821 1.756 565 HG22 ILE 95 2HG2 ILE 95 -7.689 -0.094 1.388 566 HG23 ILE 95 3HG2 ILE 95 -6.491 -0.560 2.567 567 HD11 ILE 95 3HD1 ILE 95 -10.438 1.037 2.232 568 HD12 ILE 95 1HD1 ILE 95 -9.788 0.149 0.843 569 HD13 ILE 95 2HD1 ILE 95 -11.431 -0.163 1.385 570 H ILE 96 H ILE 96 -6.509 -3.555 3.921 571 HA ILE 96 HA ILE 96 -4.278 -2.346 5.439 572 HB ILE 96 HB ILE 96 -4.611 -4.849 3.734 573 HG13 ILE 96 2HG1 ILE 96 -4.295 -6.087 5.810 574 HG21 ILE 96 1HG2 ILE 96 -2.378 -5.568 4.472 575 HG22 ILE 96 2HG2 ILE 96 -2.331 -4.201 3.368 576 HG23 ILE 96 3HG2 ILE 96 -2.058 -3.921 5.101 577 HD11 ILE 96 3HD1 ILE 96 -2.943 -4.410 7.151 578 HD12 ILE 96 1HD1 ILE 96 -4.445 -3.459 7.324 579 HD13 ILE 96 2HD1 ILE 96 -4.342 -5.082 8.000 580 H PHE 97 H PHE 97 -2.719 -1.209 4.592 581 HA PHE 97 HA PHE 97 -2.301 -1.079 1.661 582 HB3 PHE 97 2HB PHE 97 -1.352 1.268 2.227 583 HD1 PHE 97 1HD PHE 97 -2.632 1.133 0.037 584 HD2 PHE 97 2HD PHE 97 -4.605 1.616 3.840 585 HE1 PHE 97 1HE PHE 97 -4.642 1.988 -1.126 586 HE2 PHE 97 2HE PHE 97 -6.624 2.475 2.674 587 HZ PHE 97 HZ PHE 97 -6.648 2.656 0.200 588 H ARG 98 H ARG 98 -0.078 -1.167 1.114 589 HA ARG 98 HA ARG 98 1.933 -1.107 3.280 590 HB3 ARG 98 2HB ARG 98 3.128 -2.874 1.662 591 HG3 ARG 98 2HG ARG 98 0.909 -3.899 3.490 592 HD3 ARG 98 2HD ARG 98 3.733 -4.886 2.851 593 HE ARG 98 HE ARG 98 1.981 -6.585 4.463 594 HH11 ARG 98 1HH1 ARG 98 4.525 -4.081 4.651 595 HH12 ARG 98 2HH1 ARG 98 5.138 -4.699 6.147 596 HH21 ARG 98 1HH2 ARG 98 3.143 -7.489 6.400 597 HH22 ARG 98 2HH2 ARG 98 4.331 -6.460 7.114 598 H ILE 99 H ILE 99 3.623 0.356 2.695 599 HA ILE 99 HA ILE 99 3.636 1.267 -0.136 600 HB ILE 99 HB ILE 99 3.862 3.040 2.312 601 HG13 ILE 99 2HG1 ILE 99 1.443 2.098 1.883 602 HG21 ILE 99 1HG2 ILE 99 3.549 3.720 -0.654 603 HG22 ILE 99 2HG2 ILE 99 3.711 4.899 0.658 604 HG23 ILE 99 3HG2 ILE 99 5.048 3.842 0.260 605 HD11 ILE 99 3HD1 ILE 99 0.421 4.342 2.215 606 HD12 ILE 99 1HD1 ILE 99 1.730 3.948 3.357 607 HD13 ILE 99 2HD1 ILE 99 2.030 5.058 2.013 608 H ALA 100 H ALA 100 5.717 1.652 -0.976 609 HA ALA 100 HA ALA 100 7.956 2.060 0.817 610 HB1 ALA 100 1HB ALA 100 7.892 -0.322 -1.104 611 HB2 ALA 100 2HB ALA 100 9.333 0.252 -0.241 612 HB3 ALA 100 3HB ALA 100 7.960 -0.411 0.670 613 H ALA 101 H ALA 101 9.775 2.946 -0.319 614 HA ALA 101 HA ALA 101 9.192 4.385 -2.789 615 HB1 ALA 101 1HB ALA 101 11.280 5.378 -2.484 616 HB2 ALA 101 2HB ALA 101 10.541 5.304 -0.882 617 HB3 ALA 101 3HB ALA 101 11.826 4.148 -1.314 618 H ARG 102 H ARG 102 10.101 3.912 -4.843 619 HA ARG 102 HA ARG 102 11.517 1.316 -5.198 620 HB3 ARG 102 2HB ARG 102 10.413 3.320 -7.152 621 HG3 ARG 102 2HG ARG 102 12.394 2.350 -8.211 622 HD3 ARG 102 2HD ARG 102 11.103 -0.276 -7.450 623 HE ARG 102 HE ARG 102 11.549 -0.760 -9.628 624 HH11 ARG 102 1HH1 ARG 102 14.641 0.281 -8.082 625 HH12 ARG 102 2HH1 ARG 102 15.557 -0.182 -9.490 626 HH21 ARG 102 1HH2 ARG 102 12.924 -1.433 -11.361 627 HH22 ARG 102 2HH2 ARG 102 14.619 -1.065 -11.309 628 H ASN 103 H ASN 103 13.564 1.571 -4.679 629 HA ASN 103 HA ASN 103 15.056 3.809 -5.892 630 HB3 ASN 103 2HB ASN 103 15.166 4.082 -3.441 631 HD21 ASN 103 1HD2 ASN 103 14.933 2.991 -1.351 632 HD22 ASN 103 2HD2 ASN 103 15.247 1.280 -1.249 633 H GLU 104 H GLU 104 17.495 2.883 -5.983 634 HA GLU 104 HA GLU 104 17.713 1.141 -8.052 635 HB3 GLU 104 2HB GLU 104 20.092 0.756 -6.657 636 HG3 GLU 104 2HG GLU 104 19.394 3.312 -8.116 637 H LYS 105 H LYS 105 17.592 0.293 -4.588 638 HA LYS 105 HA LYS 105 18.964 -2.202 -4.960 639 HB3 LYS 105 2HB LYS 105 18.145 -2.713 -2.619 640 HG3 LYS 105 2HG LYS 105 20.359 -1.661 -3.250 641 HD3 LYS 105 2HD LYS 105 19.527 0.666 -3.794 642 HE3 LYS 105 2HE LYS 105 17.971 0.737 -1.677 643 HZ1 LYS 105 3HZ LYS 105 18.975 1.703 0.204 644 HZ2 LYS 105 1HZ LYS 105 20.453 1.807 -0.512 645 HZ3 LYS 105 2HZ LYS 105 19.832 0.338 -0.071 646 H GLY 106 H GLY 106 15.567 -1.236 -4.484 647 HA2 GLY 106 1HA GLY 106 14.059 -3.165 -5.686 648 HA3 GLY 106 2HA GLY 106 14.709 -4.027 -4.274 649 H TYR 107 H TYR 107 12.068 -3.903 -4.292 650 HA TYR 107 HA TYR 107 11.181 -1.741 -2.498 651 HB3 TYR 107 2HB TYR 107 9.159 -3.142 -2.271 652 HD1 TYR 107 1HD TYR 107 9.500 -0.521 -3.349 653 HD2 TYR 107 2HD TYR 107 8.727 -4.216 -5.452 654 HE1 TYR 107 1HE TYR 107 8.605 0.750 -5.240 655 HE2 TYR 107 2HE TYR 107 7.842 -2.937 -7.371 656 HH TYR 107 HH TYR 107 7.075 -0.690 -8.053 657 H GLY 108 H GLY 108 12.221 -1.791 -0.672 658 HA2 GLY 108 1HA GLY 108 13.303 -4.312 0.416 659 HA3 GLY 108 2HA GLY 108 13.827 -2.672 0.806 660 HA PRO 109 HA PRO 109 11.016 -2.647 4.279 661 HB3 PRO 109 2HB PRO 109 11.762 -0.395 4.523 662 HG3 PRO 109 2HG PRO 109 11.562 1.172 2.670 663 HD3 PRO 109 2HD PRO 109 12.949 -0.531 1.850 664 H ALA 110 H ALA 110 8.639 -2.162 4.924 665 HA ALA 110 HA ALA 110 6.840 -1.286 2.874 666 HB1 ALA 110 1HB ALA 110 6.657 -3.572 2.186 667 HB2 ALA 110 2HB ALA 110 6.518 -4.151 3.858 668 HB3 ALA 110 3HB ALA 110 5.213 -3.170 3.108 669 H THR 111 H THR 111 6.060 0.335 4.165 670 HA THR 111 HA THR 111 5.532 -0.035 7.003 671 HB THR 111 HB THR 111 4.624 2.185 5.132 672 HG1 THR 111 1HG THR 111 6.953 2.042 6.767 673 HG21 THR 111 3HG2 THR 111 5.018 2.100 8.163 674 HG22 THR 111 1HG2 THR 111 3.474 2.233 7.317 675 HG23 THR 111 2HG2 THR 111 4.648 3.551 7.210 676 H GLN 112 H GLN 112 3.895 -1.369 7.630 677 HA GLN 112 HA GLN 112 1.606 -1.974 5.923 678 HB3 GLN 112 2HB GLN 112 2.318 -2.822 8.762 679 HG3 GLN 112 2HG GLN 112 0.703 -4.328 6.658 680 HE21 GLN 112 1HE2 GLN 112 0.580 -6.545 7.181 681 HE22 GLN 112 2HE2 GLN 112 0.988 -7.198 8.756 682 H VAL 113 H VAL 113 0.036 -0.397 5.822 683 HA VAL 113 HA VAL 113 -0.711 1.109 8.302 684 HB VAL 113 HB VAL 113 -0.784 1.896 5.343 685 HG11 VAL 113 1HG1 VAL 113 -1.545 3.565 7.774 686 HG12 VAL 113 2HG1 VAL 113 -1.344 4.178 6.122 687 HG13 VAL 113 3HG1 VAL 113 -2.622 3.030 6.448 688 HG21 VAL 113 3HG2 VAL 113 0.936 3.571 5.941 689 HG22 VAL 113 1HG2 VAL 113 1.020 2.893 7.580 690 HG23 VAL 113 2HG2 VAL 113 1.499 1.930 6.160 691 H ARG 114 H ARG 114 -3.090 1.707 8.353 692 HA ARG 114 HA ARG 114 -4.742 -0.112 6.828 693 HB3 ARG 114 2HB ARG 114 -5.781 -1.186 8.561 694 HG3 ARG 114 2HG ARG 114 -3.256 -1.865 8.489 695 HD3 ARG 114 2HD ARG 114 -3.283 -1.016 11.381 696 HE ARG 114 HE ARG 114 -0.812 -0.594 10.175 697 HH11 ARG 114 1HH1 ARG 114 -2.820 -3.602 10.674 698 HH12 ARG 114 2HH1 ARG 114 -1.435 -4.490 11.120 699 HH21 ARG 114 1HH2 ARG 114 0.917 -1.913 10.612 700 HH22 ARG 114 2HH2 ARG 114 0.707 -3.607 10.868 701 H TRP 115 H TRP 115 -6.977 0.536 6.813 702 HA TRP 115 HA TRP 115 -7.577 3.225 7.964 703 HB3 TRP 115 2HB TRP 115 -8.254 2.296 5.134 704 HD1 TRP 115 HD TRP 115 -7.649 5.604 7.105 705 HE1 TRP 115 1HE TRP 115 -9.190 7.384 6.224 706 HE3 TRP 115 3HE TRP 115 -10.225 2.749 3.743 707 HZ2 TRP 115 2HZ TRP 115 -11.275 7.583 4.156 708 HZ3 TRP 115 3HZ TRP 115 -11.901 3.807 2.211 709 HH2 TRP 115 HH TRP 115 -12.421 6.210 2.421 710 H LEU 116 H LEU 116 -9.110 3.056 9.236 711 HA LEU 116 HA LEU 116 -11.066 0.967 9.321 712 HB3 LEU 116 2HB LEU 116 -11.479 1.869 11.449 713 HG LEU 116 HG LEU 116 -9.591 2.557 12.626 714 HD11 LEU 116 1HD1 LEU 116 -8.023 0.824 12.397 715 HD12 LEU 116 2HD1 LEU 116 -8.272 0.707 10.655 716 HD13 LEU 116 3HD1 LEU 116 -9.533 0.152 11.779 717 HD21 LEU 116 3HD2 LEU 116 -7.614 3.399 12.079 718 HD22 LEU 116 1HD2 LEU 116 -8.718 4.295 11.039 719 HD23 LEU 116 2HD2 LEU 116 -7.701 2.978 10.371 720 H GLN 117 H GLN 117 -13.396 1.977 10.014 721 HA GLN 117 HA GLN 117 -15.239 3.086 9.586 722 HB3 GLN 117 2HB GLN 117 -13.826 5.219 7.998 723 HG3 GLN 117 2HG GLN 117 -16.226 5.107 9.849 724 HE21 GLN 117 1HE2 GLN 117 -14.830 7.499 7.485 725 HE22 GLN 117 2HE2 GLN 117 -14.928 8.837 8.623 726 H GLU 118 H GLU 118 -13.647 1.298 7.547 727 HA GLU 118 HA GLU 118 -15.074 1.640 5.049 728 HB3 GLU 118 2HB GLU 118 -13.757 -0.832 5.067 729 HG3 GLU 118 2HG GLU 118 -11.812 0.464 4.208 730 H THR 119 H THR 119 -16.698 0.862 7.652 731 HA THR 119 HA THR 119 -17.768 -1.751 6.669 732 HB THR 119 HB THR 119 -18.200 -0.576 9.424 733 HG1 THR 119 1HG THR 119 -16.564 -1.907 10.101 734 HG21 THR 119 3HG2 THR 119 -18.589 -2.936 9.995 735 HG22 THR 119 1HG2 THR 119 -18.213 -3.420 8.332 736 HG23 THR 119 2HG2 THR 119 -19.660 -2.443 8.695 737 H SER 120 H SER 120 -18.887 -0.431 4.926 738 HA SER 120 HA SER 120 -21.594 -0.757 5.660 739 HB3 SER 120 2HB SER 120 -21.024 2.095 4.758 740 HG SER 120 HG SER 120 -23.254 2.266 5.339 741 H LYS 121 H LYS 121 -21.310 -2.337 4.050 742 HA LYS 121 HA LYS 121 -22.327 -1.704 1.587 743 HB3 LYS 121 2HB LYS 121 -20.477 -0.788 0.576 744 HG3 LYS 121 2HG LYS 121 -18.689 -2.899 1.838 745 HD3 LYS 121 2HD LYS 121 -16.950 -1.141 0.811 746 HE3 LYS 121 2HE LYS 121 -16.950 -2.445 -1.399 747 HZ1 LYS 121 3HZ LYS 121 -16.228 -4.478 -0.326 748 HZ2 LYS 121 1HZ LYS 121 -16.841 -4.001 1.120 749 HZ3 LYS 121 2HZ LYS 121 -15.621 -3.152 0.428 750 H ASP 122 H ASP 122 -20.338 -4.009 3.409 751 HA ASP 122 HA ASP 122 -20.483 -6.247 3.697 752 HB3 ASP 122 2HB ASP 122 -22.773 -7.100 4.061 753 H SER 123 H SER 123 -19.434 -6.077 1.413 754 HA SER 123 HA SER 123 -19.161 -6.734 -0.707 755 HB3 SER 123 2HB SER 123 -20.423 -9.317 0.214 756 HG SER 123 HG SER 123 -18.958 -10.146 -1.143 757 H SER 124 H SER 124 -20.853 -5.116 -1.358 758 HA SER 124 HA SER 124 -23.400 -5.885 -2.342 759 HB3 SER 124 2HB SER 124 -22.957 -3.620 -1.827 760 HG SER 124 HG SER 124 -21.190 -2.601 -3.216 761 H GLY 125 H GLY 125 -20.826 -4.673 -4.458 762 HA2 GLY 125 1HA GLY 125 -19.786 -6.617 -5.930 763 HA3 GLY 125 2HA GLY 125 -21.446 -6.570 -6.579 764 H THR 126 H THR 126 -19.015 -5.884 -8.012 765 HA THR 126 HA THR 126 -18.969 -3.053 -8.437 766 HB THR 126 HB THR 126 -17.242 -4.824 -9.140 767 HG1 THR 126 1HG THR 126 -18.080 -2.766 -10.895 768 HG21 THR 126 3HG2 THR 126 -18.611 -6.331 -10.565 769 HG22 THR 126 1HG2 THR 126 -17.268 -5.616 -11.439 770 HG23 THR 126 2HG2 THR 126 -18.909 -4.996 -11.687 Start of MODEL 17 1 H1 GLY 1 H GLY 1 21.286 -14.491 -1.519 2 HA2 GLY 1 1HA GLY 1 22.513 -13.308 0.223 3 HA3 GLY 1 2HA GLY 1 23.239 -12.304 -1.044 4 H CYS 2 H CYS 2 20.428 -12.871 0.924 5 HA CYS 2 HA CYS 2 18.463 -11.390 -0.420 6 HB3 CYS 2 2HB CYS 2 17.332 -11.354 1.803 7 HG CYS 2 HG CYS 2 16.564 -13.255 0.451 8 H LEU 3 H LEU 3 20.575 -10.213 2.212 9 HA LEU 3 HA LEU 3 20.585 -8.243 3.351 10 HB3 LEU 3 2HB LEU 3 20.710 -6.123 2.010 11 HG LEU 3 HG LEU 3 22.836 -6.334 1.043 12 HD11 LEU 3 1HD1 LEU 3 24.137 -7.343 2.883 13 HD12 LEU 3 2HD1 LEU 3 22.694 -8.136 3.490 14 HD13 LEU 3 3HD1 LEU 3 22.776 -6.364 3.482 15 HD21 LEU 3 3HD2 LEU 3 24.009 -8.388 0.586 16 HD22 LEU 3 1HD2 LEU 3 22.469 -8.391 -0.290 17 HD23 LEU 3 2HD2 LEU 3 22.656 -9.356 1.187 18 HA PRO 4 HA PRO 4 16.044 -7.867 3.010 19 HB3 PRO 4 2HB PRO 4 15.681 -9.698 4.358 20 HG3 PRO 4 2HG PRO 4 17.202 -10.222 6.152 21 HD3 PRO 4 2HD PRO 4 18.464 -10.152 4.118 22 H GLY 5 H GLY 5 18.200 -6.519 5.536 23 HA2 GLY 5 1HA GLY 5 16.363 -4.527 6.467 24 HA3 GLY 5 2HA GLY 5 18.086 -4.671 6.848 25 H PHE 6 H PHE 6 15.779 -3.515 4.496 26 HA PHE 6 HA PHE 6 17.702 -1.646 3.253 27 HB3 PHE 6 2HB PHE 6 15.829 -1.583 1.482 28 HD1 PHE 6 2HD PHE 6 18.953 -2.885 2.425 29 HD2 PHE 6 1HD PHE 6 15.656 -3.756 -0.271 30 HE1 PHE 6 2HE PHE 6 20.475 -3.875 0.955 31 HE2 PHE 6 1HE PHE 6 17.259 -4.880 -1.768 32 HZ PHE 6 HZ PHE 6 19.688 -4.916 -1.216 33 HA PRO 7 HA PRO 7 15.281 1.054 5.971 34 HB3 PRO 7 2HB PRO 7 17.194 1.730 7.019 35 HG3 PRO 7 2HG PRO 7 19.272 1.575 5.964 36 HD3 PRO 7 2HD PRO 7 18.560 -0.521 5.136 37 H GLY 8 H GLY 8 13.565 1.296 4.438 38 HA2 GLY 8 1HA GLY 8 13.301 3.930 3.348 39 HA3 GLY 8 2HA GLY 8 13.565 2.726 2.079 40 H ALA 9 H ALA 9 11.307 4.141 3.868 41 HA ALA 9 HA ALA 9 9.194 2.861 2.466 42 HB1 ALA 9 1HB ALA 9 9.600 1.153 4.373 43 HB2 ALA 9 2HB ALA 9 8.994 2.419 5.472 44 HB3 ALA 9 3HB ALA 9 7.957 1.759 4.205 45 HA PRO 10 HA PRO 10 7.580 6.886 3.207 46 HB3 PRO 10 2HB PRO 10 5.909 6.521 1.708 47 HG3 PRO 10 2HG PRO 10 4.987 4.349 1.445 48 HD3 PRO 10 2HD PRO 10 7.312 4.066 1.458 49 H CYS 11 H CYS 11 6.178 8.323 4.481 50 HA CYS 11 HA CYS 11 5.505 7.443 7.242 51 HB3 CYS 11 2HB CYS 11 6.627 9.498 8.081 52 HG CYS 11 HG CYS 11 7.875 7.279 8.280 53 H ALA 12 H ALA 12 4.490 9.505 8.329 54 HA ALA 12 HA ALA 12 2.911 11.030 8.595 55 HB1 ALA 12 1HB ALA 12 2.886 12.925 7.031 56 HB2 ALA 12 2HB ALA 12 4.541 12.361 7.315 57 HB3 ALA 12 3HB ALA 12 3.691 11.952 5.806 58 H ILE 13 H ILE 13 2.080 8.482 7.061 59 HA ILE 13 HA ILE 13 0.449 9.161 4.978 60 HB ILE 13 HB ILE 13 0.254 6.666 6.704 61 HG13 ILE 13 2HG1 ILE 13 2.219 7.658 4.767 62 HG21 ILE 13 1HG2 ILE 13 -0.715 5.576 4.680 63 HG22 ILE 13 2HG2 ILE 13 -1.781 6.800 5.362 64 HG23 ILE 13 3HG2 ILE 13 -0.836 7.161 3.900 65 HD11 ILE 13 3HD1 ILE 13 2.114 5.027 6.246 66 HD12 ILE 13 1HD1 ILE 13 3.509 5.720 5.413 67 HD13 ILE 13 2HD1 ILE 13 2.858 6.522 6.867 68 H LYS 14 H LYS 14 -1.633 9.735 4.618 69 HA LYS 14 HA LYS 14 -3.544 9.811 6.899 70 HB3 LYS 14 2HB LYS 14 -4.510 11.864 5.705 71 HG3 LYS 14 2HG LYS 14 -1.821 12.447 6.945 72 HD3 LYS 14 2HD LYS 14 -4.543 13.799 7.191 73 HE3 LYS 14 2HE LYS 14 -1.795 15.037 7.590 74 HZ1 LYS 14 3HZ LYS 14 -2.998 16.517 8.961 75 HZ2 LYS 14 1HZ LYS 14 -4.361 15.612 8.932 76 HZ3 LYS 14 2HZ LYS 14 -3.855 16.426 7.580 77 H ILE 15 H ILE 15 -5.680 9.380 6.285 78 HA ILE 15 HA ILE 15 -6.372 9.273 3.510 79 HB ILE 15 HB ILE 15 -7.303 6.814 4.974 80 HG13 ILE 15 2HG1 ILE 15 -4.917 6.728 5.489 81 HG21 ILE 15 1HG2 ILE 15 -7.320 5.882 2.710 82 HG22 ILE 15 2HG2 ILE 15 -8.028 7.494 2.649 83 HG23 ILE 15 3HG2 ILE 15 -6.350 7.245 2.119 84 HD11 ILE 15 3HD1 ILE 15 -6.046 4.570 4.912 85 HD12 ILE 15 1HD1 ILE 15 -5.392 4.762 3.257 86 HD13 ILE 15 2HD1 ILE 15 -4.290 4.604 4.632 87 H SER 16 H SER 16 -8.391 9.777 3.328 88 HA SER 16 HA SER 16 -10.334 9.855 5.627 89 HB3 SER 16 2HB SER 16 -10.787 12.210 5.268 90 HG SER 16 HG SER 16 -7.973 12.085 5.200 91 H LYS 17 H LYS 17 -10.186 8.486 3.125 92 HA LYS 17 HA LYS 17 -11.061 7.940 1.125 93 HB3 LYS 17 2HB LYS 17 -13.664 8.685 2.320 94 HG3 LYS 17 2HG LYS 17 -12.540 6.437 0.639 95 HD3 LYS 17 2HD LYS 17 -14.979 5.997 2.414 96 HE3 LYS 17 2HE LYS 17 -13.922 3.579 1.428 97 HZ1 LYS 17 3HZ LYS 17 -16.146 5.219 0.411 98 HZ2 LYS 17 1HZ LYS 17 -16.178 3.838 1.378 99 HZ3 LYS 17 2HZ LYS 17 -15.773 3.762 -0.203 100 H SER 18 H SER 18 -13.197 8.711 -0.518 101 HA SER 18 HA SER 18 -13.216 11.581 -0.913 102 HB3 SER 18 2HB SER 18 -11.336 9.754 -2.287 103 HG SER 18 HG SER 18 -11.386 10.885 -4.186 104 HA PRO 19 HA PRO 19 -17.027 10.138 -2.945 105 HB3 PRO 19 2HB PRO 19 -17.606 12.380 -3.283 106 HG3 PRO 19 2HG PRO 19 -16.016 13.996 -3.946 107 HD3 PRO 19 2HD PRO 19 -15.188 13.004 -1.973 108 H ASP 20 H ASP 20 -14.039 10.555 -4.684 109 HA ASP 20 HA ASP 20 -14.907 9.041 -7.077 110 HB3 ASP 20 2HB ASP 20 -12.700 11.029 -6.447 111 H GLY 21 H GLY 21 -13.216 8.585 -4.137 112 HA2 GLY 21 1HA GLY 21 -12.313 5.972 -4.519 113 HA3 GLY 21 2HA GLY 21 -11.034 7.050 -5.083 114 H ALA 22 H ALA 22 -9.534 7.332 -3.520 115 HA ALA 22 HA ALA 22 -10.506 8.009 -0.804 116 HB1 ALA 22 1HB ALA 22 -8.762 6.559 0.184 117 HB2 ALA 22 2HB ALA 22 -9.891 5.621 -0.823 118 HB3 ALA 22 3HB ALA 22 -8.296 6.028 -1.449 119 H HIS 23 H HIS 23 -9.693 10.002 -0.214 120 HA HIS 23 HA HIS 23 -7.424 11.213 -1.473 121 HB3 HIS 23 2HB HIS 23 -7.569 12.627 0.721 122 HD1 HIS 23 1HD HIS 23 -11.140 13.051 0.237 123 HD2 HIS 23 2HD HIS 23 -7.689 13.576 -2.145 124 HE1 HIS 23 1HE HIS 23 -11.784 14.672 -1.633 125 H LEU 24 H LEU 24 -5.687 9.779 -1.396 126 HA LEU 24 HA LEU 24 -4.655 8.747 1.179 127 HB3 LEU 24 2HB LEU 24 -2.714 8.289 -0.654 128 HG LEU 24 HG LEU 24 -3.766 6.195 -1.256 129 HD11 LEU 24 1HD1 LEU 24 -2.553 6.239 0.838 130 HD12 LEU 24 2HD1 LEU 24 -3.889 5.101 0.880 131 HD13 LEU 24 3HD1 LEU 24 -4.043 6.675 1.701 132 HD21 LEU 24 3HD2 LEU 24 -6.289 7.214 -0.007 133 HD22 LEU 24 1HD2 LEU 24 -5.948 5.486 -0.207 134 HD23 LEU 24 2HD2 LEU 24 -5.997 6.552 -1.613 135 H THR 25 H THR 25 -2.424 9.520 1.980 136 HA THR 25 HA THR 25 -1.001 11.477 0.502 137 HB THR 25 HB THR 25 -1.330 12.425 3.240 138 HG1 THR 25 1HG THR 25 -3.628 12.332 1.607 139 HG21 THR 25 3HG2 THR 25 -1.832 13.657 0.560 140 HG22 THR 25 1HG2 THR 25 -0.261 13.569 1.418 141 HG23 THR 25 2HG2 THR 25 -1.603 14.510 2.129 142 H TRP 26 H TRP 26 1.227 11.779 1.507 143 HA TRP 26 HA TRP 26 2.021 10.597 3.910 144 HB3 TRP 26 2HB TRP 26 1.791 8.450 2.791 145 HD1 TRP 26 HD TRP 26 4.751 9.567 0.611 146 HE1 TRP 26 1HE TRP 26 4.325 8.795 -1.797 147 HE3 TRP 26 3HE TRP 26 0.007 7.772 1.205 148 HZ2 TRP 26 2HZ TRP 26 2.135 7.577 -3.284 149 HZ3 TRP 26 3HZ TRP 26 -1.223 6.855 -0.736 150 HH2 TRP 26 HH TRP 26 -0.214 6.815 -2.969 151 H GLU 27 H GLU 27 4.565 10.415 3.751 152 HA GLU 27 HA GLU 27 5.762 12.445 1.959 153 HB3 GLU 27 2HB GLU 27 7.369 12.574 4.186 154 HG3 GLU 27 2HG GLU 27 5.138 14.454 4.520 155 HA PRO 28 HA PRO 28 8.950 9.242 1.566 156 HB3 PRO 28 2HB PRO 28 10.036 10.664 0.051 157 HG3 PRO 28 2HG PRO 28 10.209 13.018 0.466 158 HD3 PRO 28 2HD PRO 28 7.899 12.444 0.480 159 HA PRO 29 HA PRO 29 10.619 8.774 5.705 160 HB3 PRO 29 2HB PRO 29 11.584 6.750 5.118 161 HG3 PRO 29 2HG PRO 29 12.629 6.443 3.001 162 HD3 PRO 29 2HD PRO 29 10.544 7.343 2.361 163 H SER 30 H SER 30 11.972 9.969 7.205 164 HA SER 30 HA SER 30 13.704 12.064 6.007 165 HB3 SER 30 2HB SER 30 11.915 13.243 6.820 166 HG SER 30 HG SER 30 10.628 11.806 7.745 167 H VAL 31 H VAL 31 14.275 9.297 6.980 168 HA VAL 31 HA VAL 31 15.864 9.653 9.402 169 HB VAL 31 HB VAL 31 15.826 7.150 7.692 170 HG11 VAL 31 1HG1 VAL 31 17.390 7.196 9.605 171 HG12 VAL 31 2HG1 VAL 31 16.065 7.644 10.696 172 HG13 VAL 31 3HG1 VAL 31 16.075 6.052 9.910 173 HG21 VAL 31 3HG2 VAL 31 13.894 6.360 9.054 174 HG22 VAL 31 1HG2 VAL 31 13.660 8.016 9.647 175 HG23 VAL 31 2HG2 VAL 31 13.462 7.633 7.925 176 H THR 32 H THR 32 16.515 9.108 5.895 177 HA THR 32 HA THR 32 19.210 10.066 6.161 178 HB THR 32 HB THR 32 20.143 8.054 4.954 179 HG1 THR 32 1HG THR 32 17.663 6.935 5.733 180 HG21 THR 32 3HG2 THR 32 20.454 8.320 7.428 181 HG22 THR 32 1HG2 THR 32 20.469 6.636 6.875 182 HG23 THR 32 2HG2 THR 32 19.035 7.281 7.679 183 H SER 33 H SER 33 20.113 10.316 3.895 184 HA SER 33 HA SER 33 18.621 11.853 2.355 185 HB3 SER 33 2HB SER 33 20.362 11.798 0.767 186 HG SER 33 HG SER 33 21.831 12.247 2.203 187 H GLY 34 H GLY 34 19.245 8.461 1.299 188 HA2 GLY 34 1HA GLY 34 17.862 6.885 0.401 189 HA3 GLY 34 2HA GLY 34 16.475 7.919 0.681 190 H LYS 35 H LYS 35 18.218 6.445 -1.620 191 HA LYS 35 HA LYS 35 17.907 8.500 -3.760 192 HB3 LYS 35 2HB LYS 35 19.077 6.822 -5.166 193 HG3 LYS 35 2HG LYS 35 20.837 7.172 -2.762 194 HD3 LYS 35 2HD LYS 35 21.537 6.529 -5.144 195 HE3 LYS 35 2HE LYS 35 20.126 8.226 -6.334 196 HZ1 LYS 35 3HZ LYS 35 20.801 10.487 -6.407 197 HZ2 LYS 35 1HZ LYS 35 22.035 10.266 -5.357 198 HZ3 LYS 35 2HZ LYS 35 20.494 10.161 -4.852 199 H ILE 36 H ILE 36 15.607 8.308 -3.226 200 HA ILE 36 HA ILE 36 14.172 5.966 -4.269 201 HB ILE 36 HB ILE 36 13.278 8.696 -3.313 202 HG13 ILE 36 2HG1 ILE 36 12.901 5.865 -2.240 203 HG21 ILE 36 1HG2 ILE 36 11.512 6.436 -4.325 204 HG22 ILE 36 2HG2 ILE 36 10.955 7.895 -3.497 205 HG23 ILE 36 3HG2 ILE 36 11.689 8.047 -5.077 206 HD11 ILE 36 3HD1 ILE 36 13.680 6.856 -0.076 207 HD12 ILE 36 1HD1 ILE 36 14.948 6.696 -1.294 208 HD13 ILE 36 2HD1 ILE 36 14.210 8.296 -0.972 209 H ILE 37 H ILE 37 13.069 5.907 -6.223 210 HA ILE 37 HA ILE 37 13.569 7.993 -8.259 211 HB ILE 37 HB ILE 37 13.853 6.110 -9.879 212 HG13 ILE 37 2HG1 ILE 37 12.912 4.304 -8.425 213 HG21 ILE 37 1HG2 ILE 37 16.038 6.185 -7.765 214 HG22 ILE 37 2HG2 ILE 37 16.235 5.892 -9.508 215 HG23 ILE 37 3HG2 ILE 37 15.751 7.486 -8.942 216 HD11 ILE 37 3HD1 ILE 37 15.706 3.701 -9.421 217 HD12 ILE 37 1HD1 ILE 37 14.443 2.518 -9.048 218 HD13 ILE 37 2HD1 ILE 37 14.219 3.656 -10.396 219 H GLU 38 H GLU 38 11.350 5.706 -6.741 220 HA GLU 38 HA GLU 38 9.173 6.879 -8.133 221 HB3 GLU 38 2HB GLU 38 9.464 3.890 -8.666 222 HG3 GLU 38 2HG GLU 38 7.452 5.902 -9.212 223 H TYR 39 H TYR 39 7.223 4.854 -7.567 224 HA TYR 39 HA TYR 39 7.461 3.971 -4.813 225 HB3 TYR 39 2HB TYR 39 5.080 5.406 -4.802 226 HD1 TYR 39 2HD TYR 39 8.230 7.396 -4.513 227 HD2 TYR 39 1HD TYR 39 5.307 4.982 -2.451 228 HE1 TYR 39 2HE TYR 39 9.122 8.167 -2.354 229 HE2 TYR 39 1HE TYR 39 6.225 5.707 -0.289 230 HH TYR 39 HH TYR 39 8.977 8.010 -0.076 231 H SER 40 H SER 40 5.212 2.836 -4.288 232 HA SER 40 HA SER 40 3.465 2.528 -6.542 233 HB3 SER 40 2HB SER 40 4.224 -0.148 -5.394 234 HG SER 40 HG SER 40 3.589 -0.645 -7.620 235 H VAL 41 H VAL 41 1.611 0.905 -5.809 236 HA VAL 41 HA VAL 41 0.915 1.098 -2.956 237 HB VAL 41 HB VAL 41 -0.852 2.257 -5.189 238 HG11 VAL 41 1HG1 VAL 41 -2.213 1.119 -3.504 239 HG12 VAL 41 2HG1 VAL 41 -1.409 2.030 -2.208 240 HG13 VAL 41 3HG1 VAL 41 -2.430 2.854 -3.413 241 HG21 VAL 41 3HG2 VAL 41 0.841 3.888 -4.685 242 HG22 VAL 41 1HG2 VAL 41 -0.681 4.403 -3.969 243 HG23 VAL 41 2HG2 VAL 41 0.559 3.703 -2.923 244 H TYR 42 H TYR 42 0.093 -0.774 -2.402 245 HA TYR 42 HA TYR 42 -1.614 -2.186 -4.362 246 HB3 TYR 42 2HB TYR 42 -0.892 -4.194 -3.800 247 HD1 TYR 42 1HD TYR 42 0.461 -2.855 -5.794 248 HD2 TYR 42 2HD TYR 42 1.981 -4.117 -1.975 249 HE1 TYR 42 1HE TYR 42 2.765 -2.610 -6.637 250 HE2 TYR 42 2HE TYR 42 4.285 -3.780 -2.757 251 HH TYR 42 HH TYR 42 5.208 -3.636 -5.856 252 H LEU 43 H LEU 43 -3.608 -2.150 -3.792 253 HA LEU 43 HA LEU 43 -4.550 -1.497 -1.039 254 HB3 LEU 43 2HB LEU 43 -5.778 -1.439 -3.825 255 HG LEU 43 HG LEU 43 -7.437 -2.652 -2.477 256 HD11 LEU 43 1HD1 LEU 43 -6.741 -1.645 -0.210 257 HD12 LEU 43 2HD1 LEU 43 -8.474 -1.739 -0.540 258 HD13 LEU 43 3HD1 LEU 43 -7.635 -0.191 -0.702 259 HD21 LEU 43 3HD2 LEU 43 -9.304 -1.079 -2.854 260 HD22 LEU 43 1HD2 LEU 43 -8.181 -1.105 -4.220 261 HD23 LEU 43 2HD2 LEU 43 -8.143 0.248 -3.064 262 H ALA 44 H ALA 44 -5.162 -3.308 0.203 263 HA ALA 44 HA ALA 44 -4.959 -5.898 -1.035 264 HB1 ALA 44 1HB ALA 44 -5.829 -6.657 1.244 265 HB2 ALA 44 2HB ALA 44 -4.315 -5.740 1.265 266 HB3 ALA 44 3HB ALA 44 -5.861 -4.960 1.729 267 H ILE 45 H ILE 45 -6.530 -7.275 -1.641 268 HA ILE 45 HA ILE 45 -9.369 -6.412 -1.574 269 HB ILE 45 HB ILE 45 -9.661 -7.272 -3.838 270 HG13 ILE 45 2HG1 ILE 45 -7.637 -8.860 -3.711 271 HG21 ILE 45 1HG2 ILE 45 -8.752 -5.406 -5.023 272 HG22 ILE 45 2HG2 ILE 45 -9.171 -4.856 -3.404 273 HG23 ILE 45 3HG2 ILE 45 -7.469 -5.164 -3.813 274 HD11 ILE 45 3HD1 ILE 45 -8.980 -8.721 -5.714 275 HD12 ILE 45 1HD1 ILE 45 -8.175 -7.233 -6.229 276 HD13 ILE 45 2HD1 ILE 45 -7.266 -8.743 -6.176 277 H GLN 46 H GLN 46 -10.670 -8.405 -2.441 278 HA GLN 46 HA GLN 46 -10.567 -10.514 -0.557 279 HB3 GLN 46 2HB GLN 46 -12.196 -11.591 -2.228 280 HG3 GLN 46 2HG GLN 46 -13.595 -9.194 -2.373 281 HE21 GLN 46 1HE2 GLN 46 -13.049 -12.176 -0.644 282 HE22 GLN 46 2HE2 GLN 46 -14.484 -12.105 0.329 283 H SER 47 H SER 47 -8.543 -11.433 -0.475 284 HA SER 47 HA SER 47 -8.241 -13.734 -2.070 285 HB3 SER 47 2HB SER 47 -7.043 -12.620 -3.693 286 HG SER 47 HG SER 47 -5.810 -10.935 -3.489 287 H SER 48 H SER 48 -6.572 -11.460 0.035 288 HA SER 48 HA SER 48 -5.273 -11.643 1.873 289 HB3 SER 48 2HB SER 48 -6.219 -12.775 3.708 290 HG SER 48 HG SER 48 -7.973 -11.607 3.820 291 H GLN 49 H GLN 49 -3.689 -12.561 0.393 292 HA GLN 49 HA GLN 49 -2.624 -15.190 1.284 293 HB3 GLN 49 2HB GLN 49 -3.265 -14.518 -1.616 294 HG3 GLN 49 2HG GLN 49 -3.124 -17.294 -1.343 295 HE21 GLN 49 1HE2 GLN 49 -0.332 -17.814 -1.812 296 HE22 GLN 49 2HE2 GLN 49 0.118 -17.040 -3.321 297 H ALA 50 H ALA 50 -0.531 -14.711 1.851 298 HA ALA 50 HA ALA 50 1.321 -13.488 0.013 299 HB1 ALA 50 1HB ALA 50 0.354 -11.392 0.851 300 HB2 ALA 50 2HB ALA 50 0.475 -11.960 2.530 301 HB3 ALA 50 3HB ALA 50 1.942 -11.610 1.608 302 H SER 51 H SER 51 3.150 -14.731 0.342 303 HA SER 51 HA SER 51 4.140 -15.292 3.027 304 HB3 SER 51 2HB SER 51 4.055 -17.715 2.814 305 HG SER 51 HG SER 51 1.848 -18.064 2.978 306 H GLY 52 H GLY 52 5.482 -13.740 0.914 307 HA2 GLY 52 1HA GLY 52 7.690 -15.529 0.175 308 HA3 GLY 52 2HA GLY 52 6.706 -14.901 -1.146 309 H GLU 53 H GLU 53 9.292 -14.343 0.876 310 HA GLU 53 HA GLU 53 9.628 -11.515 0.731 311 HB3 GLU 53 2HB GLU 53 12.209 -12.352 0.859 312 HG3 GLU 53 2HG GLU 53 10.908 -13.303 3.301 313 HA PRO 54 HA PRO 54 11.294 -10.795 -3.439 314 HB3 PRO 54 2HB PRO 54 11.469 -8.600 -2.694 315 HG3 PRO 54 2HG PRO 54 12.445 -8.062 -0.550 316 HD3 PRO 54 2HD PRO 54 10.558 -9.410 -0.198 317 H LYS 55 H LYS 55 13.940 -10.349 -4.162 318 HA LYS 55 HA LYS 55 15.845 -11.293 -4.717 319 HB3 LYS 55 2HB LYS 55 16.186 -12.805 -2.176 320 HG3 LYS 55 2HG LYS 55 17.989 -12.200 -4.005 321 HD3 LYS 55 2HD LYS 55 19.086 -9.986 -2.694 322 HE3 LYS 55 2HE LYS 55 18.497 -8.655 -4.701 323 HZ1 LYS 55 3HZ LYS 55 20.361 -10.095 -4.927 324 HZ2 LYS 55 1HZ LYS 55 19.496 -10.195 -6.323 325 HZ3 LYS 55 2HZ LYS 55 19.415 -11.403 -5.241 326 H SER 56 H SER 56 13.339 -12.889 -5.106 327 HA SER 56 HA SER 56 12.668 -14.875 -5.946 328 HB3 SER 56 2HB SER 56 14.031 -15.735 -7.739 329 HG SER 56 HG SER 56 13.019 -13.569 -7.715 330 H SER 57 H SER 57 12.457 -15.652 -3.839 331 HA SER 57 HA SER 57 14.255 -17.940 -3.208 332 HB3 SER 57 2HB SER 57 13.704 -17.507 -0.864 333 HG SER 57 HG SER 57 14.526 -15.125 -0.985 334 H THR 58 H THR 58 10.813 -16.800 -3.347 335 HA THR 58 HA THR 58 10.064 -19.568 -3.990 336 HB THR 58 HB THR 58 9.982 -19.485 -1.566 337 HG1 THR 58 1HG THR 58 7.980 -20.129 -1.227 338 HG21 THR 58 3HG2 THR 58 7.938 -17.231 -1.806 339 HG22 THR 58 1HG2 THR 58 9.590 -17.062 -1.170 340 HG23 THR 58 2HG2 THR 58 8.421 -18.062 -0.316 341 HA PRO 59 HA PRO 59 7.075 -17.114 -6.402 342 HB3 PRO 59 2HB PRO 59 7.262 -18.774 -8.007 343 HG3 PRO 59 2HG PRO 59 7.403 -21.084 -7.407 344 HD3 PRO 59 2HD PRO 59 9.168 -20.063 -6.244 345 H ALA 60 H ALA 60 6.426 -16.343 -4.258 346 HA ALA 60 HA ALA 60 3.581 -16.923 -3.756 347 HB1 ALA 60 1HB ALA 60 4.771 -18.404 -2.156 348 HB2 ALA 60 2HB ALA 60 5.644 -17.000 -1.513 349 HB3 ALA 60 3HB ALA 60 3.882 -17.117 -1.326 350 H GLN 61 H GLN 61 4.726 -14.837 -5.135 351 HA GLN 61 HA GLN 61 5.607 -12.653 -3.439 352 HB3 GLN 61 2HB GLN 61 6.144 -11.530 -5.465 353 HG3 GLN 61 2HG GLN 61 6.571 -14.502 -5.972 354 HE21 GLN 61 1HE2 GLN 61 7.826 -15.021 -7.914 355 HE22 GLN 61 2HE2 GLN 61 8.332 -13.760 -8.986 356 H LEU 62 H LEU 62 3.514 -12.831 -2.376 357 HA LEU 62 HA LEU 62 1.479 -12.410 -1.721 358 HB3 LEU 62 2HB LEU 62 1.036 -10.084 -1.381 359 HG LEU 62 HG LEU 62 3.211 -11.120 -0.311 360 HD11 LEU 62 1HD1 LEU 62 5.193 -9.593 -0.841 361 HD12 LEU 62 2HD1 LEU 62 4.298 -9.123 -2.311 362 HD13 LEU 62 3HD1 LEU 62 4.813 -10.805 -2.052 363 HD21 LEU 62 3HD2 LEU 62 3.647 -9.040 0.877 364 HD22 LEU 62 1HD2 LEU 62 1.906 -9.171 0.588 365 HD23 LEU 62 2HD2 LEU 62 2.896 -8.087 -0.409 366 H ALA 63 H ALA 63 -0.453 -10.634 -2.324 367 HA ALA 63 HA ALA 63 -1.078 -10.711 -5.095 368 HB1 ALA 63 1HB ALA 63 -1.928 -12.982 -4.457 369 HB2 ALA 63 2HB ALA 63 -2.941 -12.255 -3.195 370 HB3 ALA 63 3HB ALA 63 -3.265 -11.917 -4.910 371 H PHE 64 H PHE 64 -2.404 -9.056 -5.640 372 HA PHE 64 HA PHE 64 -3.927 -7.449 -3.753 373 HB3 PHE 64 2HB PHE 64 -2.679 -5.423 -4.253 374 HD1 PHE 64 1HD PHE 64 -2.827 -5.965 -1.694 375 HD2 PHE 64 2HD PHE 64 0.526 -6.973 -4.235 376 HE1 PHE 64 1HE PHE 64 -1.443 -6.373 0.280 377 HE2 PHE 64 2HE PHE 64 1.902 -7.331 -2.268 378 HZ PHE 64 HZ PHE 64 0.882 -7.135 0.025 379 H MET 65 H MET 65 -4.250 -5.275 -5.410 380 HA MET 65 HA MET 65 -5.047 -6.371 -8.071 381 HB3 MET 65 2HB MET 65 -6.220 -3.870 -6.796 382 HG3 MET 65 2HG MET 65 -6.685 -5.442 -9.235 383 HE1 MET 65 3HE MET 65 -10.595 -3.848 -7.401 384 HE2 MET 65 1HE MET 65 -9.097 -3.768 -6.444 385 HE3 MET 65 2HE MET 65 -9.216 -2.899 -7.983 386 H ARG 66 H ARG 66 -2.788 -4.444 -6.534 387 HA ARG 66 HA ARG 66 -1.379 -2.751 -7.057 388 HB3 ARG 66 2HB ARG 66 -1.330 -4.229 -9.711 389 HG3 ARG 66 2HG ARG 66 0.917 -2.739 -8.267 390 HD3 ARG 66 2HD ARG 66 0.728 -4.411 -10.775 391 HE ARG 66 HE ARG 66 2.895 -2.446 -10.353 392 HH11 ARG 66 1HH1 ARG 66 0.264 -3.664 -12.471 393 HH12 ARG 66 2HH1 ARG 66 0.401 -2.377 -13.599 394 HH21 ARG 66 1HH2 ARG 66 3.308 -0.919 -12.183 395 HH22 ARG 66 2HH2 ARG 66 2.220 -1.001 -13.517 396 H VAL 67 H VAL 67 -3.355 -1.314 -6.898 397 HA VAL 67 HA VAL 67 -4.517 -0.308 -9.308 398 HB VAL 67 HB VAL 67 -5.501 1.413 -7.720 399 HG11 VAL 67 1HG1 VAL 67 -5.777 -1.539 -6.999 400 HG12 VAL 67 2HG1 VAL 67 -6.924 -0.241 -6.587 401 HG13 VAL 67 3HG1 VAL 67 -6.647 -0.671 -8.278 402 HG21 VAL 67 3HG2 VAL 67 -3.670 1.432 -6.009 403 HG22 VAL 67 1HG2 VAL 67 -5.257 1.073 -5.317 404 HG23 VAL 67 2HG2 VAL 67 -4.091 -0.232 -5.548 405 H TYR 68 H TYR 68 -1.458 0.448 -7.912 406 HA TYR 68 HA TYR 68 -1.265 3.229 -8.212 407 HB3 TYR 68 2HB TYR 68 0.712 0.947 -8.250 408 HD1 TYR 68 1HD TYR 68 1.373 4.476 -7.220 409 HD2 TYR 68 2HD TYR 68 2.199 1.377 -10.120 410 HE1 TYR 68 1HE TYR 68 3.251 5.772 -8.053 411 HE2 TYR 68 2HE TYR 68 4.064 2.739 -11.032 412 HH TYR 68 HH TYR 68 5.063 5.817 -9.555 413 H CYS 69 H CYS 69 -0.878 4.606 -9.819 414 HA CYS 69 HA CYS 69 0.101 3.764 -12.457 415 HB3 CYS 69 2HB CYS 69 -1.590 5.243 -13.575 416 HG CYS 69 HG CYS 69 -2.752 2.742 -11.724 417 H GLY 70 H GLY 70 2.031 4.837 -11.949 418 HA2 GLY 70 1HA GLY 70 3.437 6.602 -12.163 419 HA3 GLY 70 2HA GLY 70 2.050 7.627 -12.566 420 HA PRO 71 HA PRO 71 4.091 8.169 -8.325 421 HB3 PRO 71 2HB PRO 71 5.989 9.260 -8.852 422 HG3 PRO 71 2HG PRO 71 6.246 10.190 -11.008 423 HD3 PRO 71 2HD PRO 71 5.226 8.087 -11.368 424 H SER 72 H SER 72 2.627 11.245 -9.733 425 HA SER 72 HA SER 72 1.073 12.609 -8.909 426 HB3 SER 72 2HB SER 72 -0.881 11.378 -7.614 427 HG SER 72 HG SER 72 -1.541 10.713 -9.723 428 HA PRO 73 HA PRO 73 2.205 14.061 -4.896 429 HB3 PRO 73 2HB PRO 73 0.802 15.876 -5.048 430 HG3 PRO 73 2HG PRO 73 -1.372 15.678 -6.012 431 HD3 PRO 73 2HD PRO 73 0.147 14.755 -7.582 432 H SER 74 H SER 74 -0.488 11.781 -5.032 433 HA SER 74 HA SER 74 0.314 10.365 -2.598 434 HB3 SER 74 2HB SER 74 -0.837 12.017 -1.403 435 HG SER 74 HG SER 74 -3.039 12.658 -2.519 436 H CYS 75 H CYS 75 0.280 9.444 -5.226 437 HA CYS 75 HA CYS 75 -0.682 8.347 -6.917 438 HB3 CYS 75 2HB CYS 75 -0.352 6.493 -5.349 439 HG CYS 75 HG CYS 75 -3.022 7.628 -4.131 440 H LEU 76 H LEU 76 -3.156 7.240 -7.552 441 HA LEU 76 HA LEU 76 -5.194 8.558 -6.069 442 HB3 LEU 76 2HB LEU 76 -5.444 9.002 -9.062 443 HG LEU 76 HG LEU 76 -7.073 9.651 -6.563 444 HD11 LEU 76 1HD1 LEU 76 -8.224 11.467 -7.630 445 HD12 LEU 76 2HD1 LEU 76 -7.235 11.317 -9.091 446 HD13 LEU 76 3HD1 LEU 76 -6.505 11.845 -7.563 447 HD21 LEU 76 3HD2 LEU 76 -8.970 9.238 -8.242 448 HD22 LEU 76 1HD2 LEU 76 -8.014 7.843 -7.810 449 HD23 LEU 76 2HD2 LEU 76 -7.736 8.650 -9.363 450 H VAL 77 H VAL 77 -6.379 6.821 -5.447 451 HA VAL 77 HA VAL 77 -6.673 4.443 -7.170 452 HB VAL 77 HB VAL 77 -7.281 4.934 -4.226 453 HG11 VAL 77 1HG1 VAL 77 -8.816 3.283 -5.138 454 HG12 VAL 77 2HG1 VAL 77 -7.478 2.388 -5.899 455 HG13 VAL 77 3HG1 VAL 77 -7.626 2.481 -4.124 456 HG21 VAL 77 3HG2 VAL 77 -4.913 4.871 -4.506 457 HG22 VAL 77 1HG2 VAL 77 -5.363 3.262 -3.948 458 HG23 VAL 77 2HG2 VAL 77 -4.992 3.531 -5.667 459 H GLN 78 H GLN 78 -8.572 4.261 -8.311 460 HA GLN 78 HA GLN 78 -10.771 6.004 -8.104 461 HB3 GLN 78 2HB GLN 78 -10.918 5.281 -10.183 462 HG3 GLN 78 2HG GLN 78 -9.518 2.815 -9.158 463 HE21 GLN 78 1HE2 GLN 78 -10.407 4.250 -12.452 464 HE22 GLN 78 2HE2 GLN 78 -10.863 2.673 -13.057 465 H SER 79 H SER 79 -12.773 5.434 -7.347 466 HA SER 79 HA SER 79 -13.086 3.655 -5.102 467 HB3 SER 79 2HB SER 79 -15.236 5.137 -6.649 468 HG SER 79 HG SER 79 -16.262 5.093 -4.567 469 H SER 80 H SER 80 -13.535 3.159 -8.566 470 HA SER 80 HA SER 80 -15.109 0.876 -8.699 471 HB3 SER 80 2HB SER 80 -12.468 1.635 -9.985 472 HG SER 80 HG SER 80 -12.605 -0.041 -11.308 473 H SER 81 H SER 81 -11.599 1.051 -7.758 474 HA SER 81 HA SER 81 -11.436 -1.744 -7.222 475 HB3 SER 81 2HB SER 81 -9.190 -1.155 -6.472 476 HG SER 81 HG SER 81 -9.608 -0.799 -8.767 477 H LEU 82 H LEU 82 -12.638 0.879 -5.250 478 HA LEU 82 HA LEU 82 -11.736 -0.146 -2.683 479 HB3 LEU 82 2HB LEU 82 -13.638 1.494 -1.924 480 HG LEU 82 HG LEU 82 -12.233 3.529 -2.962 481 HD11 LEU 82 1HD1 LEU 82 -12.431 2.956 -0.557 482 HD12 LEU 82 2HD1 LEU 82 -10.766 3.393 -0.981 483 HD13 LEU 82 3HD1 LEU 82 -11.213 1.681 -0.763 484 HD21 LEU 82 3HD2 LEU 82 -10.804 2.239 -4.411 485 HD22 LEU 82 1HD2 LEU 82 -10.110 1.416 -2.999 486 HD23 LEU 82 2HD2 LEU 82 -9.939 3.176 -3.190 487 H SER 83 H SER 83 -14.667 -0.488 -4.606 488 HA SER 83 HA SER 83 -16.297 -1.879 -2.755 489 HB3 SER 83 2HB SER 83 -16.047 -2.456 -5.744 490 HG SER 83 HG SER 83 -17.769 -3.599 -5.409 491 H ASN 84 H ASN 84 -13.814 -3.172 -4.992 492 HA ASN 84 HA ASN 84 -14.021 -5.887 -4.277 493 HB3 ASN 84 2HB ASN 84 -11.933 -6.169 -5.493 494 HD21 ASN 84 1HD2 ASN 84 -12.434 -6.611 -7.645 495 HD22 ASN 84 2HD2 ASN 84 -13.442 -5.574 -8.647 496 H ALA 85 H ALA 85 -12.802 -3.435 -2.224 497 HA ALA 85 HA ALA 85 -10.362 -4.545 -1.357 498 HB1 ALA 85 1HB ALA 85 -10.561 -2.971 0.489 499 HB2 ALA 85 2HB ALA 85 -11.059 -2.181 -1.017 500 HB3 ALA 85 3HB ALA 85 -12.286 -2.729 0.151 501 H HIS 86 H HIS 86 -10.019 -5.241 0.890 502 HA HIS 86 HA HIS 86 -12.234 -6.831 2.044 503 HB3 HIS 86 2HB HIS 86 -9.463 -8.020 2.145 504 HD1 HIS 86 1HD HIS 86 -9.665 -10.733 2.531 505 HD2 HIS 86 2HD HIS 86 -13.328 -8.647 2.083 506 HE1 HIS 86 1HE HIS 86 -11.528 -12.361 3.078 507 H ILE 87 H ILE 87 -11.861 -7.332 4.378 508 HA ILE 87 HA ILE 87 -10.611 -4.960 5.647 509 HB ILE 87 HB ILE 87 -13.224 -6.423 6.230 510 HG13 ILE 87 2HG1 ILE 87 -14.396 -4.437 5.468 511 HG21 ILE 87 1HG2 ILE 87 -12.345 -5.518 8.269 512 HG22 ILE 87 2HG2 ILE 87 -12.030 -3.942 7.512 513 HG23 ILE 87 3HG2 ILE 87 -13.698 -4.502 7.758 514 HD11 ILE 87 3HD1 ILE 87 -11.745 -3.442 4.348 515 HD12 ILE 87 1HD1 ILE 87 -13.338 -2.732 4.073 516 HD13 ILE 87 2HD1 ILE 87 -12.625 -2.685 5.693 517 H ASP 88 H ASP 88 -9.187 -5.358 7.199 518 HA ASP 88 HA ASP 88 -8.457 -8.052 7.821 519 HB3 ASP 88 2HB ASP 88 -7.796 -5.461 9.290 520 H TYR 89 H TYR 89 -9.325 -9.391 9.365 521 HA TYR 89 HA TYR 89 -11.238 -8.236 11.326 522 HB3 TYR 89 2HB TYR 89 -11.891 -10.931 10.543 523 HD1 TYR 89 1HD TYR 89 -13.015 -7.722 9.017 524 HD2 TYR 89 2HD TYR 89 -13.906 -10.767 11.930 525 HE1 TYR 89 1HE TYR 89 -15.297 -6.781 9.291 526 HE2 TYR 89 2HE TYR 89 -16.206 -9.836 12.200 527 HH TYR 89 HH TYR 89 -17.582 -7.870 9.944 528 H THR 90 H THR 90 -8.373 -8.685 11.473 529 HA THR 90 HA THR 90 -8.246 -10.961 13.325 530 HB THR 90 HB THR 90 -5.733 -10.040 12.018 531 HG1 THR 90 1HG THR 90 -6.702 -9.859 10.157 532 HG21 THR 90 3HG2 THR 90 -7.108 -12.746 12.254 533 HG22 THR 90 1HG2 THR 90 -5.884 -12.097 13.358 534 HG23 THR 90 2HG2 THR 90 -5.444 -12.468 11.683 535 H THR 91 H THR 91 -7.960 -7.571 12.980 536 HA THR 91 HA THR 91 -6.819 -7.316 15.688 537 HB THR 91 HB THR 91 -5.453 -5.368 14.871 538 HG1 THR 91 1HG THR 91 -6.223 -6.420 12.330 539 HG21 THR 91 3HG2 THR 91 -4.562 -7.993 13.631 540 HG22 THR 91 1HG2 THR 91 -4.456 -7.601 15.361 541 HG23 THR 91 2HG2 THR 91 -3.551 -6.641 14.190 542 H LYS 92 H LYS 92 -8.020 -5.183 12.995 543 HA LYS 92 HA LYS 92 -10.432 -4.537 14.402 544 HB3 LYS 92 2HB LYS 92 -10.037 -2.062 13.792 545 HG3 LYS 92 2HG LYS 92 -8.169 -2.920 16.014 546 HD3 LYS 92 2HD LYS 92 -9.985 -0.888 16.795 547 HE3 LYS 92 2HE LYS 92 -7.732 0.548 15.998 548 HZ1 LYS 92 3HZ LYS 92 -8.524 0.638 18.172 549 HZ2 LYS 92 1HZ LYS 92 -6.983 0.089 18.291 550 HZ3 LYS 92 2HZ LYS 92 -8.252 -0.973 18.458 551 HA PRO 93 HA PRO 93 -11.599 -4.514 10.079 552 HB3 PRO 93 2HB PRO 93 -13.798 -4.453 10.620 553 HG3 PRO 93 2HG PRO 93 -14.531 -3.374 12.594 554 HD3 PRO 93 2HD PRO 93 -12.696 -4.689 13.313 555 H ALA 94 H ALA 94 -9.915 -3.701 8.990 556 HA ALA 94 HA ALA 94 -10.120 -0.898 8.153 557 HB1 ALA 94 1HB ALA 94 -7.586 -2.164 9.331 558 HB2 ALA 94 2HB ALA 94 -7.566 -0.737 8.288 559 HB3 ALA 94 3HB ALA 94 -8.398 -0.657 9.836 560 H ILE 95 H ILE 95 -9.225 -0.557 6.111 561 HA ILE 95 HA ILE 95 -8.504 -2.866 4.433 562 HB ILE 95 HB ILE 95 -8.699 0.108 4.014 563 HG13 ILE 95 2HG1 ILE 95 -10.775 -1.296 3.997 564 HG21 ILE 95 1HG2 ILE 95 -6.691 -0.639 2.775 565 HG22 ILE 95 2HG2 ILE 95 -7.642 -1.942 2.022 566 HG23 ILE 95 3HG2 ILE 95 -7.989 -0.229 1.679 567 HD11 ILE 95 3HD1 ILE 95 -11.745 -0.645 1.887 568 HD12 ILE 95 1HD1 ILE 95 -10.812 0.693 2.569 569 HD13 ILE 95 2HD1 ILE 95 -10.162 -0.260 1.207 570 H ILE 96 H ILE 96 -6.429 -3.593 4.327 571 HA ILE 96 HA ILE 96 -4.212 -2.098 5.634 572 HB ILE 96 HB ILE 96 -4.217 -4.812 4.230 573 HG13 ILE 96 2HG1 ILE 96 -4.096 -5.888 6.423 574 HG21 ILE 96 1HG2 ILE 96 -1.996 -3.880 4.266 575 HG22 ILE 96 2HG2 ILE 96 -2.161 -3.391 5.960 576 HG23 ILE 96 3HG2 ILE 96 -2.055 -5.118 5.521 577 HD11 ILE 96 3HD1 ILE 96 -3.345 -4.012 7.885 578 HD12 ILE 96 1HD1 ILE 96 -4.922 -3.214 7.628 579 HD13 ILE 96 2HD1 ILE 96 -4.832 -4.770 8.470 580 H PHE 97 H PHE 97 -2.723 -1.084 4.470 581 HA PHE 97 HA PHE 97 -2.807 -1.311 1.490 582 HB3 PHE 97 2HB PHE 97 -1.730 0.999 1.562 583 HD1 PHE 97 1HD PHE 97 -3.622 0.416 -0.151 584 HD2 PHE 97 2HD PHE 97 -4.320 1.968 3.823 585 HE1 PHE 97 1HE PHE 97 -5.875 1.228 -0.842 586 HE2 PHE 97 2HE PHE 97 -6.535 2.782 3.096 587 HZ PHE 97 HZ PHE 97 -7.316 2.414 0.766 588 H ARG 98 H ARG 98 -0.884 -1.219 0.470 589 HA ARG 98 HA ARG 98 1.620 -1.598 2.033 590 HB3 ARG 98 2HB ARG 98 2.114 -3.166 -0.106 591 HG3 ARG 98 2HG ARG 98 1.081 -5.043 1.186 592 HD3 ARG 98 2HD ARG 98 2.826 -3.091 2.718 593 HE ARG 98 HE ARG 98 1.870 -4.491 4.363 594 HH11 ARG 98 1HH1 ARG 98 3.997 -6.300 2.076 595 HH12 ARG 98 2HH1 ARG 98 4.244 -7.578 3.207 596 HH21 ARG 98 1HH2 ARG 98 2.529 -6.141 5.906 597 HH22 ARG 98 2HH2 ARG 98 3.393 -7.508 5.361 598 H ILE 99 H ILE 99 2.470 0.480 1.775 599 HA ILE 99 HA ILE 99 2.846 1.401 -1.022 600 HB ILE 99 HB ILE 99 2.652 3.175 1.445 601 HG13 ILE 99 2HG1 ILE 99 0.358 1.978 0.800 602 HG21 ILE 99 1HG2 ILE 99 3.895 4.053 -0.518 603 HG22 ILE 99 2HG2 ILE 99 2.490 3.727 -1.537 604 HG23 ILE 99 3HG2 ILE 99 2.396 4.962 -0.303 605 HD11 ILE 99 3HD1 ILE 99 0.351 5.005 0.814 606 HD12 ILE 99 1HD1 ILE 99 -1.007 3.922 1.144 607 HD13 ILE 99 2HD1 ILE 99 0.346 3.978 2.266 608 H ALA 100 H ALA 100 5.085 1.575 -1.537 609 HA ALA 100 HA ALA 100 6.897 2.101 0.662 610 HB1 ALA 100 1HB ALA 100 7.116 -0.446 -0.978 611 HB2 ALA 100 2HB ALA 100 8.492 0.271 -0.134 612 HB3 ALA 100 3HB ALA 100 7.060 -0.269 0.755 613 H ALA 101 H ALA 101 9.084 2.516 -0.214 614 HA ALA 101 HA ALA 101 8.824 4.384 -2.499 615 HB1 ALA 101 1HB ALA 101 9.783 5.107 -0.265 616 HB2 ALA 101 2HB ALA 101 11.140 3.989 -0.555 617 HB3 ALA 101 3HB ALA 101 10.824 5.339 -1.671 618 H ARG 102 H ARG 102 9.852 3.939 -4.436 619 HA ARG 102 HA ARG 102 11.347 1.391 -4.701 620 HB3 ARG 102 2HB ARG 102 10.441 3.451 -6.722 621 HG3 ARG 102 2HG ARG 102 12.428 2.293 -7.535 622 HD3 ARG 102 2HD ARG 102 11.946 0.110 -6.366 623 HE ARG 102 HE ARG 102 9.701 0.008 -8.213 624 HH11 ARG 102 1HH1 ARG 102 12.265 -1.974 -6.793 625 HH12 ARG 102 2HH1 ARG 102 11.359 -3.459 -6.879 626 HH21 ARG 102 1HH2 ARG 102 8.496 -1.957 -8.355 627 HH22 ARG 102 2HH2 ARG 102 9.194 -3.454 -7.864 628 H ASN 103 H ASN 103 13.412 1.680 -3.873 629 HA ASN 103 HA ASN 103 14.927 4.045 -4.837 630 HB3 ASN 103 2HB ASN 103 14.505 3.990 -2.329 631 HD21 ASN 103 1HD2 ASN 103 16.241 3.588 -0.412 632 HD22 ASN 103 2HD2 ASN 103 16.556 1.899 -0.114 633 H GLU 104 H GLU 104 17.342 3.471 -4.597 634 HA GLU 104 HA GLU 104 18.069 1.710 -6.624 635 HB3 GLU 104 2HB GLU 104 20.309 1.932 -4.888 636 HG3 GLU 104 2HG GLU 104 19.514 4.170 -6.694 637 H LYS 105 H LYS 105 17.789 0.984 -3.162 638 HA LYS 105 HA LYS 105 19.449 -1.327 -3.199 639 HB3 LYS 105 2HB LYS 105 18.760 -1.433 -0.922 640 HG3 LYS 105 2HG LYS 105 19.211 0.730 0.034 641 HD3 LYS 105 2HD LYS 105 21.180 1.539 -1.180 642 HE3 LYS 105 2HE LYS 105 20.981 -1.494 -1.013 643 HZ1 LYS 105 3HZ LYS 105 22.988 -0.903 -2.056 644 HZ2 LYS 105 1HZ LYS 105 23.376 -1.188 -0.491 645 HZ3 LYS 105 2HZ LYS 105 23.269 0.367 -1.026 646 H GLY 106 H GLY 106 15.906 -0.712 -2.896 647 HA2 GLY 106 1HA GLY 106 14.860 -2.746 -4.408 648 HA3 GLY 106 2HA GLY 106 15.319 -3.553 -2.901 649 H TYR 107 H TYR 107 12.725 -3.438 -3.670 650 HA TYR 107 HA TYR 107 11.291 -1.303 -2.246 651 HB3 TYR 107 2HB TYR 107 10.151 -3.755 -3.637 652 HD1 TYR 107 2HD TYR 107 10.054 -0.123 -4.056 653 HD2 TYR 107 1HD TYR 107 7.973 -3.576 -2.738 654 HE1 TYR 107 2HE TYR 107 7.909 1.205 -4.151 655 HE2 TYR 107 1HE TYR 107 5.821 -2.289 -2.694 656 HH TYR 107 HH TYR 107 4.796 -0.376 -3.191 657 H GLY 108 H GLY 108 12.710 -2.415 -0.529 658 HA2 GLY 108 1HA GLY 108 12.368 -5.194 0.200 659 HA3 GLY 108 2HA GLY 108 13.309 -4.032 1.120 660 HA PRO 109 HA PRO 109 9.898 -4.158 4.081 661 HB3 PRO 109 2HB PRO 109 11.417 -3.209 5.561 662 HG3 PRO 109 2HG PRO 109 12.857 -1.507 4.994 663 HD3 PRO 109 2HD PRO 109 13.333 -3.176 3.436 664 H ALA 110 H ALA 110 7.918 -2.899 4.587 665 HA ALA 110 HA ALA 110 7.262 -0.653 2.852 666 HB1 ALA 110 1HB ALA 110 6.499 -2.574 1.466 667 HB2 ALA 110 2HB ALA 110 5.515 -3.172 2.821 668 HB3 ALA 110 3HB ALA 110 5.130 -1.616 2.057 669 H THR 111 H THR 111 5.545 0.607 3.736 670 HA THR 111 HA THR 111 5.110 0.227 6.605 671 HB THR 111 HB THR 111 4.066 2.322 4.683 672 HG1 THR 111 1HG THR 111 5.857 3.547 5.668 673 HG21 THR 111 3HG2 THR 111 4.452 2.305 7.716 674 HG22 THR 111 1HG2 THR 111 2.895 2.256 6.870 675 HG23 THR 111 2HG2 THR 111 3.928 3.696 6.766 676 H GLN 112 H GLN 112 3.254 -0.661 7.439 677 HA GLN 112 HA GLN 112 1.147 -1.650 5.546 678 HB3 GLN 112 2HB GLN 112 2.247 -2.797 8.127 679 HG3 GLN 112 2HG GLN 112 0.434 -4.492 6.469 680 HE21 GLN 112 1HE2 GLN 112 0.422 -6.480 7.836 681 HE22 GLN 112 2HE2 GLN 112 0.566 -6.348 9.540 682 H VAL 113 H VAL 113 -0.108 0.303 5.758 683 HA VAL 113 HA VAL 113 -0.669 1.252 8.495 684 HB VAL 113 HB VAL 113 -1.817 3.072 7.445 685 HG11 VAL 113 1HG1 VAL 113 0.032 4.150 6.348 686 HG12 VAL 113 2HG1 VAL 113 0.713 3.111 7.619 687 HG13 VAL 113 3HG1 VAL 113 0.766 2.594 5.911 688 HG21 VAL 113 3HG2 VAL 113 -2.760 1.887 5.449 689 HG22 VAL 113 1HG2 VAL 113 -2.040 3.470 5.119 690 HG23 VAL 113 2HG2 VAL 113 -1.127 2.004 4.731 691 H ARG 114 H ARG 114 -2.889 1.409 9.261 692 HA ARG 114 HA ARG 114 -4.795 -0.464 7.941 693 HB3 ARG 114 2HB ARG 114 -5.842 -0.663 10.201 694 HG3 ARG 114 2HG ARG 114 -3.588 -1.987 9.173 695 HD3 ARG 114 2HD ARG 114 -2.437 -0.692 11.157 696 HE ARG 114 HE ARG 114 -4.155 -2.414 12.643 697 HH11 ARG 114 1HH1 ARG 114 -0.678 -1.673 12.363 698 HH12 ARG 114 2HH1 ARG 114 -0.257 -2.505 13.833 699 HH21 ARG 114 1HH2 ARG 114 -3.557 -3.247 14.796 700 HH22 ARG 114 2HH2 ARG 114 -1.863 -3.406 15.173 701 H TRP 115 H TRP 115 -6.251 0.652 6.933 702 HA TRP 115 HA TRP 115 -6.933 3.427 7.606 703 HB3 TRP 115 2HB TRP 115 -8.326 1.463 5.768 704 HD1 TRP 115 HD TRP 115 -8.956 4.735 7.284 705 HE1 TRP 115 1HE TRP 115 -10.372 6.227 5.733 706 HE3 TRP 115 3HE TRP 115 -8.691 1.961 3.030 707 HZ2 TRP 115 2HZ TRP 115 -11.047 6.298 2.974 708 HZ3 TRP 115 3HZ TRP 115 -9.789 2.704 0.960 709 HH2 TRP 115 HH TRP 115 -11.011 4.864 0.909 710 H LEU 116 H LEU 116 -7.313 2.853 9.882 711 HA LEU 116 HA LEU 116 -9.604 1.194 10.601 712 HB3 LEU 116 2HB LEU 116 -9.323 2.091 12.832 713 HG LEU 116 HG LEU 116 -6.622 1.601 11.493 714 HD11 LEU 116 1HD1 LEU 116 -7.145 2.073 14.433 715 HD12 LEU 116 2HD1 LEU 116 -6.184 3.081 13.328 716 HD13 LEU 116 3HD1 LEU 116 -5.631 1.451 13.720 717 HD21 LEU 116 3HD2 LEU 116 -8.249 -0.365 11.910 718 HD22 LEU 116 1HD2 LEU 116 -7.946 -0.081 13.617 719 HD23 LEU 116 2HD2 LEU 116 -6.591 -0.503 12.541 720 H GLN 117 H GLN 117 -11.642 1.977 11.194 721 HA GLN 117 HA GLN 117 -13.476 3.189 11.173 722 HB3 GLN 117 2HB GLN 117 -11.961 5.797 10.966 723 HG3 GLN 117 2HG GLN 117 -14.444 4.827 12.423 724 HE21 GLN 117 1HE2 GLN 117 -14.207 8.239 12.459 725 HE22 GLN 117 2HE2 GLN 117 -13.717 8.328 14.134 726 H GLU 118 H GLU 118 -12.129 2.248 8.702 727 HA GLU 118 HA GLU 118 -12.880 4.088 6.586 728 HB3 GLU 118 2HB GLU 118 -11.029 2.564 6.451 729 HG3 GLU 118 2HG GLU 118 -12.116 0.406 7.053 730 H THR 119 H THR 119 -14.377 3.004 4.744 731 HA THR 119 HA THR 119 -16.795 1.791 5.830 732 HB THR 119 HB THR 119 -16.748 4.552 4.536 733 HG1 THR 119 1HG THR 119 -16.712 3.678 7.123 734 HG21 THR 119 3HG2 THR 119 -19.171 4.584 5.031 735 HG22 THR 119 1HG2 THR 119 -19.081 2.870 5.510 736 HG23 THR 119 2HG2 THR 119 -18.767 3.349 3.834 737 H SER 120 H SER 120 -17.471 0.306 4.274 738 HA SER 120 HA SER 120 -16.269 0.495 1.562 739 HB3 SER 120 2HB SER 120 -16.226 -2.184 2.161 740 HG SER 120 HG SER 120 -14.155 -0.457 3.071 741 H LYS 121 H LYS 121 -17.136 -0.900 -0.022 742 HA LYS 121 HA LYS 121 -18.736 -1.532 -1.438 743 HB3 LYS 121 2HB LYS 121 -20.820 -2.560 -0.815 744 HG3 LYS 121 2HG LYS 121 -18.447 -3.831 -0.458 745 HD3 LYS 121 2HD LYS 121 -19.973 -4.050 2.178 746 HE3 LYS 121 2HE LYS 121 -18.233 -5.671 2.833 747 HZ1 LYS 121 3HZ LYS 121 -20.312 -6.522 1.837 748 HZ2 LYS 121 1HZ LYS 121 -19.010 -7.518 1.650 749 HZ3 LYS 121 2HZ LYS 121 -19.516 -6.635 0.374 750 H ASP 122 H ASP 122 -18.328 0.958 -1.508 751 HA ASP 122 HA ASP 122 -20.908 2.385 -1.061 752 HB3 ASP 122 2HB ASP 122 -18.930 3.299 0.140 753 H SER 123 H SER 123 -21.832 3.541 -2.643 754 HA SER 123 HA SER 123 -22.655 4.049 -4.613 755 HB3 SER 123 2HB SER 123 -21.102 4.773 -6.400 756 HG SER 123 HG SER 123 -20.851 6.482 -5.257 757 H SER 124 H SER 124 -22.791 3.406 -7.060 758 HA SER 124 HA SER 124 -23.012 0.496 -7.283 759 HB3 SER 124 2HB SER 124 -23.534 2.780 -9.249 760 HG SER 124 HG SER 124 -23.696 1.164 -10.548 761 H GLY 125 H GLY 125 -20.890 3.150 -8.311 762 HA2 GLY 125 1HA GLY 125 -18.692 3.021 -9.090 763 HA3 GLY 125 2HA GLY 125 -18.826 1.263 -9.227 764 H THR 126 H THR 126 -20.965 0.834 -10.865 765 HA THR 126 HA THR 126 -20.657 2.514 -13.268 766 HB THR 126 HB THR 126 -20.722 -0.479 -13.598 767 HG1 THR 126 1HG THR 126 -18.321 1.024 -13.406 768 HG21 THR 126 3HG2 THR 126 -19.746 0.032 -15.734 769 HG22 THR 126 1HG2 THR 126 -19.364 1.698 -15.259 770 HG23 THR 126 2HG2 THR 126 -21.036 1.212 -15.510 Start of MODEL 18 1 H1 GLY 1 H GLY 1 30.509 -3.870 0.111 2 HA2 GLY 1 1HA GLY 1 28.114 -3.465 0.259 3 HA3 GLY 1 2HA GLY 1 27.872 -5.233 0.137 4 H CYS 2 H CYS 2 27.742 -2.826 2.341 5 HA CYS 2 HA CYS 2 28.509 -4.546 4.602 6 HB3 CYS 2 2HB CYS 2 29.519 -1.685 4.533 7 HG CYS 2 HG CYS 2 29.409 -2.787 6.905 8 H LEU 3 H LEU 3 25.958 -3.480 3.392 9 HA LEU 3 HA LEU 3 24.910 -1.958 5.736 10 HB3 LEU 3 2HB LEU 3 23.291 -0.876 4.304 11 HG LEU 3 HG LEU 3 25.710 0.119 4.789 12 HD11 LEU 3 1HD1 LEU 3 25.673 -0.148 1.755 13 HD12 LEU 3 2HD1 LEU 3 26.891 -0.812 2.868 14 HD13 LEU 3 3HD1 LEU 3 26.740 0.930 2.676 15 HD21 LEU 3 3HD2 LEU 3 23.812 1.334 2.745 16 HD22 LEU 3 1HD2 LEU 3 25.030 2.204 3.710 17 HD23 LEU 3 2HD2 LEU 3 23.650 1.441 4.503 18 HA PRO 4 HA PRO 4 22.916 -5.978 4.897 19 HB3 PRO 4 2HB PRO 4 24.496 -6.977 6.281 20 HG3 PRO 4 2HG PRO 4 25.258 -5.912 8.267 21 HD3 PRO 4 2HD PRO 4 25.713 -4.417 6.561 22 H GLY 5 H GLY 5 21.191 -4.065 4.675 23 HA2 GLY 5 1HA GLY 5 18.847 -5.258 5.650 24 HA3 GLY 5 2HA GLY 5 19.156 -3.825 6.634 25 H PHE 6 H PHE 6 16.855 -4.096 4.890 26 HA PHE 6 HA PHE 6 17.432 -2.610 2.460 27 HB3 PHE 6 2HB PHE 6 14.821 -2.460 2.552 28 HD1 PHE 6 2HD PHE 6 15.336 -3.043 0.214 29 HD2 PHE 6 1HD PHE 6 15.720 -5.947 3.386 30 HE1 PHE 6 2HE PHE 6 15.353 -4.882 -1.452 31 HE2 PHE 6 1HE PHE 6 15.800 -7.747 1.714 32 HZ PHE 6 HZ PHE 6 15.619 -7.236 -0.706 33 HA PRO 7 HA PRO 7 17.087 1.483 4.043 34 HB3 PRO 7 2HB PRO 7 17.393 2.313 1.959 35 HG3 PRO 7 2HG PRO 7 16.545 1.187 0.066 36 HD3 PRO 7 2HD PRO 7 17.632 -0.461 1.346 37 H GLY 8 H GLY 8 14.458 -0.399 4.457 38 HA2 GLY 8 1HA GLY 8 12.703 -0.179 5.898 39 HA3 GLY 8 2HA GLY 8 13.090 1.536 6.092 40 H ALA 9 H ALA 9 10.482 1.019 6.089 41 HA ALA 9 HA ALA 9 9.391 1.318 3.346 42 HB1 ALA 9 1HB ALA 9 7.281 0.651 4.447 43 HB2 ALA 9 2HB ALA 9 8.557 -0.546 4.778 44 HB3 ALA 9 3HB ALA 9 8.072 0.645 6.012 45 HA PRO 10 HA PRO 10 8.107 5.525 4.351 46 HB3 PRO 10 2HB PRO 10 7.275 5.647 2.166 47 HG3 PRO 10 2HG PRO 10 6.056 3.855 1.205 48 HD3 PRO 10 2HD PRO 10 8.143 3.010 1.872 49 H CYS 11 H CYS 11 6.719 6.699 5.768 50 HA CYS 11 HA CYS 11 4.837 5.111 7.422 51 HB3 CYS 11 2HB CYS 11 6.016 6.207 9.377 52 HG CYS 11 HG CYS 11 8.284 4.810 9.461 53 H ALA 12 H ALA 12 4.084 6.851 9.193 54 HA ALA 12 HA ALA 12 2.730 8.526 9.742 55 HB1 ALA 12 1HB ALA 12 3.539 10.768 9.225 56 HB2 ALA 12 2HB ALA 12 4.908 9.688 9.564 57 HB3 ALA 12 3HB ALA 12 4.510 10.115 7.885 58 H ILE 13 H ILE 13 1.844 6.986 7.397 59 HA ILE 13 HA ILE 13 0.823 8.619 5.369 60 HB ILE 13 HB ILE 13 0.122 5.837 6.378 61 HG13 ILE 13 2HG1 ILE 13 2.289 7.003 4.841 62 HG21 ILE 13 1HG2 ILE 13 -0.915 5.366 4.189 63 HG22 ILE 13 2HG2 ILE 13 -1.847 6.520 5.147 64 HG23 ILE 13 3HG2 ILE 13 -0.857 7.087 3.786 65 HD11 ILE 13 3HD1 ILE 13 1.719 4.074 5.288 66 HD12 ILE 13 1HD1 ILE 13 3.278 4.833 4.892 67 HD13 ILE 13 2HD1 ILE 13 2.526 5.131 6.472 68 H LYS 14 H LYS 14 -1.191 9.541 4.938 69 HA LYS 14 HA LYS 14 -3.216 9.559 7.091 70 HB3 LYS 14 2HB LYS 14 -3.725 11.845 6.521 71 HG3 LYS 14 2HG LYS 14 -0.782 11.709 7.228 72 HD3 LYS 14 2HD LYS 14 -3.039 13.439 8.328 73 HE3 LYS 14 2HE LYS 14 -0.005 13.550 8.644 74 HZ1 LYS 14 3HZ LYS 14 -2.058 14.845 10.311 75 HZ2 LYS 14 1HZ LYS 14 -1.332 15.621 9.049 76 HZ3 LYS 14 2HZ LYS 14 -0.444 15.088 10.326 77 H ILE 15 H ILE 15 -5.361 9.766 6.299 78 HA ILE 15 HA ILE 15 -5.844 9.408 3.444 79 HB ILE 15 HB ILE 15 -6.729 7.212 5.343 80 HG13 ILE 15 2HG1 ILE 15 -4.325 7.171 5.423 81 HG21 ILE 15 1HG2 ILE 15 -7.879 7.585 3.113 82 HG22 ILE 15 2HG2 ILE 15 -6.322 7.200 2.326 83 HG23 ILE 15 3HG2 ILE 15 -7.177 5.975 3.284 84 HD11 ILE 15 3HD1 ILE 15 -5.578 5.033 5.518 85 HD12 ILE 15 1HD1 ILE 15 -5.279 4.817 3.774 86 HD13 ILE 15 2HD1 ILE 15 -3.923 4.885 4.914 87 H SER 16 H SER 16 -7.104 10.964 3.431 88 HA SER 16 HA SER 16 -9.455 11.256 5.338 89 HB3 SER 16 2HB SER 16 -8.391 13.383 4.299 90 HG SER 16 HG SER 16 -9.429 13.873 2.266 91 H LYS 17 H LYS 17 -11.578 11.228 4.420 92 HA LYS 17 HA LYS 17 -11.957 9.431 2.088 93 HB3 LYS 17 2HB LYS 17 -13.796 10.498 4.276 94 HG3 LYS 17 2HG LYS 17 -14.290 8.647 1.883 95 HD3 LYS 17 2HD LYS 17 -16.066 9.064 4.319 96 HE3 LYS 17 2HE LYS 17 -16.218 7.141 1.957 97 HZ1 LYS 17 3HZ LYS 17 -17.405 6.523 4.052 98 HZ2 LYS 17 1HZ LYS 17 -18.350 6.614 2.725 99 HZ3 LYS 17 2HZ LYS 17 -18.392 7.813 3.857 100 H SER 18 H SER 18 -13.318 10.388 0.384 101 HA SER 18 HA SER 18 -13.936 13.244 0.543 102 HB3 SER 18 2HB SER 18 -12.691 13.791 -1.429 103 HG SER 18 HG SER 18 -11.486 13.226 0.646 104 HA PRO 19 HA PRO 19 -17.456 11.701 -1.602 105 HB3 PRO 19 2HB PRO 19 -18.549 13.557 -2.123 106 HG3 PRO 19 2HG PRO 19 -17.356 15.498 -1.772 107 HD3 PRO 19 2HD PRO 19 -15.915 14.456 -0.314 108 H ASP 20 H ASP 20 -14.825 12.543 -3.923 109 HA ASP 20 HA ASP 20 -15.617 10.465 -5.826 110 HB3 ASP 20 2HB ASP 20 -13.150 10.891 -6.595 111 H GLY 21 H GLY 21 -13.078 10.804 -3.322 112 HA2 GLY 21 1HA GLY 21 -12.297 7.945 -3.671 113 HA3 GLY 21 2HA GLY 21 -11.210 9.272 -4.083 114 H ALA 22 H ALA 22 -9.704 8.660 -2.567 115 HA ALA 22 HA ALA 22 -10.234 9.672 0.163 116 HB1 ALA 22 1HB ALA 22 -8.903 7.013 -0.559 117 HB2 ALA 22 2HB ALA 22 -8.844 7.766 1.044 118 HB3 ALA 22 3HB ALA 22 -10.400 7.224 0.381 119 H HIS 23 H HIS 23 -8.605 11.009 0.794 120 HA HIS 23 HA HIS 23 -6.365 11.551 -1.075 121 HB3 HIS 23 2HB HIS 23 -5.642 13.090 0.809 122 HD1 HIS 23 1HD HIS 23 -9.281 13.107 -0.775 123 HD2 HIS 23 2HD HIS 23 -5.966 15.579 0.106 124 HE1 HIS 23 1HE HIS 23 -9.748 15.324 -1.846 125 H LEU 24 H LEU 24 -5.511 9.366 -0.905 126 HA LEU 24 HA LEU 24 -4.085 8.382 1.412 127 HB3 LEU 24 2HB LEU 24 -2.599 7.433 -0.431 128 HG LEU 24 HG LEU 24 -4.183 5.849 -1.225 129 HD11 LEU 24 1HD1 LEU 24 -4.818 4.751 0.887 130 HD12 LEU 24 2HD1 LEU 24 -4.187 6.190 1.720 131 HD13 LEU 24 3HD1 LEU 24 -3.127 5.207 0.666 132 HD21 LEU 24 3HD2 LEU 24 -6.412 7.260 0.213 133 HD22 LEU 24 1HD2 LEU 24 -6.496 5.673 -0.574 134 HD23 LEU 24 2HD2 LEU 24 -6.189 7.121 -1.533 135 H THR 25 H THR 25 -2.176 9.505 2.321 136 HA THR 25 HA THR 25 -0.311 10.817 0.390 137 HB THR 25 HB THR 25 0.053 12.618 2.101 138 HG1 THR 25 1HG THR 25 -1.008 11.241 3.723 139 HG21 THR 25 3HG2 THR 25 -2.863 12.542 1.222 140 HG22 THR 25 1HG2 THR 25 -1.517 13.284 0.313 141 HG23 THR 25 2HG2 THR 25 -2.020 13.930 1.907 142 H TRP 26 H TRP 26 1.950 10.686 1.190 143 HA TRP 26 HA TRP 26 2.407 9.450 3.824 144 HB3 TRP 26 2HB TRP 26 2.800 7.496 2.789 145 HD1 TRP 26 HD TRP 26 4.945 8.727 -0.090 146 HE1 TRP 26 1HE TRP 26 3.845 7.958 -2.313 147 HE3 TRP 26 3HE TRP 26 0.512 6.959 1.732 148 HZ2 TRP 26 2HZ TRP 26 1.452 6.611 -3.144 149 HZ3 TRP 26 3HZ TRP 26 -1.124 5.875 0.237 150 HH2 TRP 26 HH TRP 26 -0.721 5.788 -2.217 151 H GLU 27 H GLU 27 4.775 9.617 4.401 152 HA GLU 27 HA GLU 27 5.632 12.343 4.007 153 HB3 GLU 27 2HB GLU 27 7.683 11.059 5.346 154 HG3 GLU 27 2HG GLU 27 4.996 11.901 6.519 155 HA PRO 28 HA PRO 28 8.532 12.023 0.738 156 HB3 PRO 28 2HB PRO 28 9.175 14.184 1.154 157 HG3 PRO 28 2HG PRO 28 9.537 14.973 3.370 158 HD3 PRO 28 2HD PRO 28 7.359 14.040 3.366 159 HA PRO 29 HA PRO 29 11.275 8.596 1.486 160 HB3 PRO 29 2HB PRO 29 11.408 8.471 -0.806 161 HG3 PRO 29 2HG PRO 29 11.871 10.376 -2.174 162 HD3 PRO 29 2HD PRO 29 9.912 10.848 -0.946 163 H SER 30 H SER 30 11.735 9.653 3.527 164 HA SER 30 HA SER 30 14.531 10.564 3.906 165 HB3 SER 30 2HB SER 30 11.945 11.576 5.189 166 HG SER 30 HG SER 30 13.417 13.398 5.582 167 H VAL 31 H VAL 31 13.318 7.858 4.111 168 HA VAL 31 HA VAL 31 13.223 7.210 6.970 169 HB VAL 31 HB VAL 31 13.263 5.381 4.530 170 HG11 VAL 31 1HG1 VAL 31 12.225 3.732 6.022 171 HG12 VAL 31 2HG1 VAL 31 13.795 4.230 6.662 172 HG13 VAL 31 3HG1 VAL 31 12.293 4.868 7.374 173 HG21 VAL 31 3HG2 VAL 31 10.826 5.231 4.765 174 HG22 VAL 31 1HG2 VAL 31 10.838 6.457 6.039 175 HG23 VAL 31 2HG2 VAL 31 11.292 6.885 4.373 176 H THR 32 H THR 32 15.354 6.958 4.094 177 HA THR 32 HA THR 32 17.744 6.815 5.781 178 HB THR 32 HB THR 32 18.573 4.916 4.309 179 HG1 THR 32 1HG THR 32 15.924 4.181 3.907 180 HG21 THR 32 3HG2 THR 32 17.840 4.549 6.673 181 HG22 THR 32 1HG2 THR 32 17.661 3.138 5.614 182 HG23 THR 32 2HG2 THR 32 16.238 4.099 6.064 183 H SER 33 H SER 33 19.702 6.861 4.275 184 HA SER 33 HA SER 33 19.814 9.114 2.611 185 HB3 SER 33 2HB SER 33 22.136 8.434 2.381 186 HG SER 33 HG SER 33 22.070 8.995 4.395 187 H GLY 34 H GLY 34 17.926 6.948 1.481 188 HA2 GLY 34 1HA GLY 34 19.403 5.738 -0.745 189 HA3 GLY 34 2HA GLY 34 17.685 5.519 -0.400 190 H LYS 35 H LYS 35 17.640 5.562 -2.710 191 HA LYS 35 HA LYS 35 17.065 8.303 -3.649 192 HB3 LYS 35 2HB LYS 35 19.318 7.688 -4.318 193 HG3 LYS 35 2HG LYS 35 18.019 5.515 -5.989 194 HD3 LYS 35 2HD LYS 35 20.510 5.216 -6.618 195 HE3 LYS 35 2HE LYS 35 19.083 7.564 -7.910 196 HZ1 LYS 35 3HZ LYS 35 20.703 5.332 -8.976 197 HZ2 LYS 35 1HZ LYS 35 21.069 6.953 -9.067 198 HZ3 LYS 35 2HZ LYS 35 19.818 6.343 -9.926 199 H ILE 36 H ILE 36 15.074 8.383 -4.028 200 HA ILE 36 HA ILE 36 13.548 6.001 -4.931 201 HB ILE 36 HB ILE 36 12.869 8.372 -3.190 202 HG13 ILE 36 2HG1 ILE 36 12.566 5.341 -2.847 203 HG21 ILE 36 1HG2 ILE 36 10.962 8.158 -4.764 204 HG22 ILE 36 2HG2 ILE 36 10.858 6.428 -4.367 205 HG23 ILE 36 3HG2 ILE 36 10.532 7.660 -3.134 206 HD11 ILE 36 3HD1 ILE 36 14.798 5.691 -2.191 207 HD12 ILE 36 1HD1 ILE 36 14.454 7.336 -1.566 208 HD13 ILE 36 2HD1 ILE 36 13.869 5.913 -0.700 209 H ILE 37 H ILE 37 12.436 6.062 -6.712 210 HA ILE 37 HA ILE 37 12.724 8.407 -8.540 211 HB ILE 37 HB ILE 37 13.261 6.649 -10.240 212 HG13 ILE 37 2HG1 ILE 37 12.359 4.719 -8.943 213 HG21 ILE 37 1HG2 ILE 37 14.995 8.094 -9.157 214 HG22 ILE 37 2HG2 ILE 37 15.272 6.819 -7.945 215 HG23 ILE 37 3HG2 ILE 37 15.618 6.519 -9.659 216 HD11 ILE 37 3HD1 ILE 37 13.990 4.348 -10.838 217 HD12 ILE 37 1HD1 ILE 37 15.265 4.204 -9.600 218 HD13 ILE 37 2HD1 ILE 37 13.905 3.073 -9.607 219 H GLU 38 H GLU 38 10.589 6.105 -7.246 220 HA GLU 38 HA GLU 38 8.405 7.436 -8.444 221 HB3 GLU 38 2HB GLU 38 8.325 4.454 -8.988 222 HG3 GLU 38 2HG GLU 38 7.068 6.773 -10.507 223 H TYR 39 H TYR 39 6.332 5.677 -7.525 224 HA TYR 39 HA TYR 39 7.180 4.539 -4.943 225 HB3 TYR 39 2HB TYR 39 4.584 5.397 -4.455 226 HD1 TYR 39 2HD TYR 39 7.571 7.677 -4.419 227 HD2 TYR 39 1HD TYR 39 5.013 5.036 -2.170 228 HE1 TYR 39 2HE TYR 39 8.543 8.540 -2.314 229 HE2 TYR 39 1HE TYR 39 6.033 5.849 -0.060 230 HH TYR 39 HH TYR 39 8.287 8.587 0.005 231 H SER 40 H SER 40 5.531 2.856 -4.229 232 HA SER 40 HA SER 40 3.515 2.193 -6.243 233 HB3 SER 40 2HB SER 40 4.188 -0.252 -6.091 234 HG SER 40 HG SER 40 5.290 1.855 -7.418 235 H VAL 41 H VAL 41 1.906 0.710 -5.406 236 HA VAL 41 HA VAL 41 1.466 0.735 -2.483 237 HB VAL 41 HB VAL 41 -0.431 2.002 -4.536 238 HG11 VAL 41 1HG1 VAL 41 -1.656 0.882 -2.709 239 HG12 VAL 41 2HG1 VAL 41 -0.688 1.755 -1.502 240 HG13 VAL 41 3HG1 VAL 41 -1.809 2.633 -2.569 241 HG21 VAL 41 3HG2 VAL 41 -0.156 4.125 -3.531 242 HG22 VAL 41 1HG2 VAL 41 0.926 3.504 -2.279 243 HG23 VAL 41 2HG2 VAL 41 1.461 3.575 -3.970 244 H TYR 42 H TYR 42 0.736 -1.212 -2.024 245 HA TYR 42 HA TYR 42 -0.832 -2.678 -4.043 246 HB3 TYR 42 2HB TYR 42 -0.008 -4.686 -3.187 247 HD1 TYR 42 2HD TYR 42 1.385 -3.119 -5.240 248 HD2 TYR 42 1HD TYR 42 2.720 -4.502 -1.381 249 HE1 TYR 42 2HE TYR 42 3.695 -3.247 -6.092 250 HE2 TYR 42 1HE TYR 42 5.048 -4.582 -2.221 251 HH TYR 42 HH TYR 42 6.256 -4.837 -4.281 252 H LEU 43 H LEU 43 -2.929 -2.956 -3.486 253 HA LEU 43 HA LEU 43 -3.880 -2.374 -0.695 254 HB3 LEU 43 2HB LEU 43 -4.786 -1.459 -3.430 255 HG LEU 43 HG LEU 43 -6.882 -2.307 -2.500 256 HD11 LEU 43 1HD1 LEU 43 -6.309 -0.488 -0.123 257 HD12 LEU 43 2HD1 LEU 43 -6.421 -2.254 -0.061 258 HD13 LEU 43 3HD1 LEU 43 -7.843 -1.310 -0.488 259 HD21 LEU 43 3HD2 LEU 43 -6.811 -0.155 -3.783 260 HD22 LEU 43 1HD2 LEU 43 -6.658 0.735 -2.256 261 HD23 LEU 43 2HD2 LEU 43 -8.128 -0.202 -2.609 262 H ALA 44 H ALA 44 -5.157 -4.013 0.207 263 HA ALA 44 HA ALA 44 -5.096 -6.542 -1.078 264 HB1 ALA 44 1HB ALA 44 -6.656 -5.742 1.407 265 HB2 ALA 44 2HB ALA 44 -6.180 -7.374 0.930 266 HB3 ALA 44 3HB ALA 44 -4.942 -6.197 1.404 267 H ILE 45 H ILE 45 -6.486 -7.683 -2.260 268 HA ILE 45 HA ILE 45 -9.284 -6.982 -2.548 269 HB ILE 45 HB ILE 45 -9.286 -6.612 -4.874 270 HG13 ILE 45 2HG1 ILE 45 -7.202 -6.495 -6.296 271 HG21 ILE 45 1HG2 ILE 45 -8.171 -4.613 -5.283 272 HG22 ILE 45 2HG2 ILE 45 -8.584 -4.614 -3.564 273 HG23 ILE 45 3HG2 ILE 45 -6.912 -4.942 -4.092 274 HD11 ILE 45 3HD1 ILE 45 -6.064 -8.530 -4.339 275 HD12 ILE 45 1HD1 ILE 45 -5.317 -7.882 -5.792 276 HD13 ILE 45 2HD1 ILE 45 -5.553 -6.840 -4.355 277 H GLN 46 H GLN 46 -10.014 -8.633 -4.566 278 HA GLN 46 HA GLN 46 -8.905 -11.322 -4.112 279 HB3 GLN 46 2HB GLN 46 -10.768 -11.859 -5.767 280 HG3 GLN 46 2HG GLN 46 -12.613 -11.253 -4.111 281 HE21 GLN 46 1HE2 GLN 46 -12.045 -13.523 -4.614 282 HE22 GLN 46 2HE2 GLN 46 -11.316 -14.486 -3.334 283 H SER 47 H SER 47 -6.938 -11.299 -4.960 284 HA SER 47 HA SER 47 -6.545 -12.408 -7.280 285 HB3 SER 47 2HB SER 47 -5.225 -9.735 -7.805 286 HG SER 47 HG SER 47 -4.944 -10.640 -9.729 287 H SER 48 H SER 48 -4.100 -12.844 -7.680 288 HA SER 48 HA SER 48 -2.260 -11.814 -5.622 289 HB3 SER 48 2HB SER 48 -2.859 -14.751 -6.076 290 HG SER 48 HG SER 48 -1.350 -13.729 -3.955 291 H GLN 49 H GLN 49 -0.057 -11.840 -6.454 292 HA GLN 49 HA GLN 49 0.634 -13.513 -8.602 293 HB3 GLN 49 2HB GLN 49 -0.554 -11.584 -9.847 294 HG3 GLN 49 2HG GLN 49 2.070 -10.111 -9.328 295 HE21 GLN 49 1HE2 GLN 49 -0.292 -10.587 -11.684 296 HE22 GLN 49 2HE2 GLN 49 -0.246 -8.981 -12.368 297 H ALA 50 H ALA 50 2.903 -13.341 -9.147 298 HA ALA 50 HA ALA 50 4.525 -11.165 -8.420 299 HB1 ALA 50 1HB ALA 50 4.898 -12.086 -6.257 300 HB2 ALA 50 2HB ALA 50 4.922 -13.763 -6.869 301 HB3 ALA 50 3HB ALA 50 6.270 -12.655 -7.202 302 H SER 51 H SER 51 6.800 -11.625 -9.309 303 HA SER 51 HA SER 51 7.242 -14.073 -10.767 304 HB3 SER 51 2HB SER 51 7.943 -12.814 -12.869 305 HG SER 51 HG SER 51 6.168 -13.697 -13.459 306 H GLY 52 H GLY 52 9.265 -14.541 -10.186 307 HA2 GLY 52 1HA GLY 52 11.473 -14.424 -9.596 308 HA3 GLY 52 2HA GLY 52 11.475 -13.253 -10.914 309 H GLU 53 H GLU 53 11.282 -13.610 -7.384 310 HA GLU 53 HA GLU 53 12.147 -10.764 -7.045 311 HB3 GLU 53 2HB GLU 53 9.773 -10.965 -6.735 312 HG3 GLU 53 2HG GLU 53 10.165 -12.705 -4.292 313 HA PRO 54 HA PRO 54 15.049 -12.343 -4.071 314 HB3 PRO 54 2HB PRO 54 15.823 -10.239 -3.674 315 HG3 PRO 54 2HG PRO 54 14.364 -8.364 -3.692 316 HD3 PRO 54 2HD PRO 54 13.926 -9.526 -5.684 317 H LYS 55 H LYS 55 15.263 -13.054 -1.757 318 HA LYS 55 HA LYS 55 14.680 -13.963 0.191 319 HB3 LYS 55 2HB LYS 55 12.071 -12.478 -0.140 320 HG3 LYS 55 2HG LYS 55 13.075 -12.763 2.603 321 HD3 LYS 55 2HD LYS 55 10.372 -13.658 1.614 322 HE3 LYS 55 2HE LYS 55 11.116 -11.714 3.832 323 HZ1 LYS 55 3HZ LYS 55 8.745 -11.936 2.765 324 HZ2 LYS 55 1HZ LYS 55 8.883 -11.878 4.421 325 HZ3 LYS 55 2HZ LYS 55 8.681 -13.312 3.687 326 H SER 56 H SER 56 14.947 -15.920 -0.927 327 HA SER 56 HA SER 56 12.972 -17.319 -2.377 328 HB3 SER 56 2HB SER 56 14.523 -19.179 -2.205 329 HG SER 56 HG SER 56 15.208 -17.364 -3.404 330 H SER 57 H SER 57 11.074 -16.926 -1.000 331 HA SER 57 HA SER 57 10.539 -18.886 1.096 332 HB3 SER 57 2HB SER 57 11.090 -15.937 1.617 333 HG SER 57 HG SER 57 9.729 -17.826 3.172 334 H THR 58 H THR 58 9.612 -15.588 -0.043 335 HA THR 58 HA THR 58 7.772 -14.480 -0.086 336 HB THR 58 HB THR 58 5.853 -15.339 -1.382 337 HG1 THR 58 1HG THR 58 5.574 -17.248 -1.720 338 HG21 THR 58 3HG2 THR 58 7.643 -14.202 -2.514 339 HG22 THR 58 1HG2 THR 58 7.094 -15.555 -3.508 340 HG23 THR 58 2HG2 THR 58 8.617 -15.665 -2.600 341 HA PRO 59 HA PRO 59 4.983 -15.289 3.351 342 HB3 PRO 59 2HB PRO 59 4.213 -13.131 3.165 343 HG3 PRO 59 2HG PRO 59 3.799 -12.119 1.034 344 HD3 PRO 59 2HD PRO 59 6.061 -12.830 1.130 345 H ALA 60 H ALA 60 2.476 -15.978 3.475 346 HA ALA 60 HA ALA 60 2.020 -18.360 1.820 347 HB1 ALA 60 1HB ALA 60 0.376 -17.057 4.031 348 HB2 ALA 60 2HB ALA 60 0.033 -18.614 3.243 349 HB3 ALA 60 3HB ALA 60 1.497 -18.427 4.226 350 H GLN 61 H GLN 61 2.214 -16.853 0.011 351 HA GLN 61 HA GLN 61 1.447 -15.592 -1.746 352 HB3 GLN 61 2HB GLN 61 1.031 -17.761 -2.416 353 HG3 GLN 61 2HG GLN 61 -1.483 -18.605 -1.952 354 HE21 GLN 61 1HE2 GLN 61 -1.269 -19.303 1.023 355 HE22 GLN 61 2HE2 GLN 61 0.114 -20.374 1.143 356 H LEU 62 H LEU 62 1.142 -13.602 -0.769 357 HA LEU 62 HA LEU 62 -1.138 -12.615 0.440 358 HB3 LEU 62 2HB LEU 62 0.704 -11.286 0.739 359 HG LEU 62 HG LEU 62 2.257 -12.147 -0.941 360 HD11 LEU 62 1HD1 LEU 62 0.895 -12.464 -2.818 361 HD12 LEU 62 2HD1 LEU 62 2.063 -11.215 -3.312 362 HD13 LEU 62 3HD1 LEU 62 0.389 -10.767 -2.866 363 HD21 LEU 62 3HD2 LEU 62 3.419 -10.140 -1.523 364 HD22 LEU 62 1HD2 LEU 62 2.698 -9.925 0.078 365 HD23 LEU 62 2HD2 LEU 62 1.948 -9.171 -1.355 366 H ALA 63 H ALA 63 -2.615 -10.920 -0.328 367 HA ALA 63 HA ALA 63 -3.187 -11.137 -3.205 368 HB1 ALA 63 1HB ALA 63 -5.628 -11.292 -2.693 369 HB2 ALA 63 2HB ALA 63 -4.708 -12.688 -2.107 370 HB3 ALA 63 3HB ALA 63 -5.240 -11.420 -0.964 371 H PHE 64 H PHE 64 -2.189 -9.152 -3.515 372 HA PHE 64 HA PHE 64 -3.792 -6.820 -2.673 373 HB3 PHE 64 2HB PHE 64 -1.890 -5.505 -2.193 374 HD1 PHE 64 1HD PHE 64 -3.375 -7.058 -0.140 375 HD2 PHE 64 2HD PHE 64 0.763 -7.237 -1.293 376 HE1 PHE 64 1HE PHE 64 -2.819 -7.949 2.080 377 HE2 PHE 64 2HE PHE 64 1.319 -8.193 0.925 378 HZ PHE 64 HZ PHE 64 -0.460 -8.556 2.618 379 H MET 65 H MET 65 -3.833 -5.165 -4.259 380 HA MET 65 HA MET 65 -2.870 -5.923 -6.971 381 HB3 MET 65 2HB MET 65 -5.391 -4.529 -6.024 382 HG3 MET 65 2HG MET 65 -4.003 -4.370 -8.659 383 HE1 MET 65 3HE MET 65 -8.604 -4.048 -8.951 384 HE2 MET 65 1HE MET 65 -7.896 -4.583 -7.420 385 HE3 MET 65 2HE MET 65 -7.581 -2.931 -8.023 386 H ARG 66 H ARG 66 -1.662 -4.498 -8.080 387 HA ARG 66 HA ARG 66 -0.257 -2.587 -6.433 388 HB3 ARG 66 2HB ARG 66 0.868 -4.302 -7.798 389 HG3 ARG 66 2HG ARG 66 0.536 -2.707 -10.333 390 HD3 ARG 66 2HD ARG 66 0.350 -5.208 -11.174 391 HE ARG 66 HE ARG 66 3.037 -4.699 -10.156 392 HH11 ARG 66 1HH1 ARG 66 0.791 -3.929 -12.790 393 HH12 ARG 66 2HH1 ARG 66 2.031 -3.914 -14.019 394 HH21 ARG 66 1HH2 ARG 66 4.649 -4.521 -11.732 395 HH22 ARG 66 2HH2 ARG 66 4.261 -4.101 -13.386 396 H VAL 67 H VAL 67 -2.408 -1.300 -6.447 397 HA VAL 67 HA VAL 67 -3.430 -0.068 -8.695 398 HB VAL 67 HB VAL 67 -4.513 1.491 -7.067 399 HG11 VAL 67 1HG1 VAL 67 -5.426 -0.738 -7.644 400 HG12 VAL 67 2HG1 VAL 67 -4.628 -1.408 -6.194 401 HG13 VAL 67 3HG1 VAL 67 -5.890 -0.161 -6.039 402 HG21 VAL 67 3HG2 VAL 67 -2.943 -0.013 -4.923 403 HG22 VAL 67 1HG2 VAL 67 -2.688 1.679 -5.400 404 HG23 VAL 67 2HG2 VAL 67 -4.220 1.187 -4.656 405 H TYR 68 H TYR 68 -0.511 0.989 -7.103 406 HA TYR 68 HA TYR 68 -0.749 3.805 -7.719 407 HB3 TYR 68 2HB TYR 68 1.745 2.084 -7.569 408 HD1 TYR 68 2HD TYR 68 2.740 3.472 -9.514 409 HD2 TYR 68 1HD TYR 68 1.515 5.216 -5.744 410 HE1 TYR 68 2HE TYR 68 3.941 5.546 -10.083 411 HE2 TYR 68 1HE TYR 68 2.757 7.263 -6.337 412 HH TYR 68 HH TYR 68 3.990 7.965 -9.428 413 H CYS 69 H CYS 69 -1.037 4.669 -9.657 414 HA CYS 69 HA CYS 69 0.917 4.265 -11.731 415 HB3 CYS 69 2HB CYS 69 -0.965 4.279 -13.515 416 HG CYS 69 HG CYS 69 -0.317 1.682 -11.584 417 H GLY 70 H GLY 70 1.297 6.442 -10.502 418 HA2 GLY 70 1HA GLY 70 -0.005 8.420 -12.195 419 HA3 GLY 70 2HA GLY 70 -0.059 8.725 -10.437 420 HA PRO 71 HA PRO 71 4.058 10.011 -12.424 421 HB3 PRO 71 2HB PRO 71 3.274 11.664 -13.844 422 HG3 PRO 71 2HG PRO 71 1.189 12.742 -13.445 423 HD3 PRO 71 2HD PRO 71 0.621 10.471 -13.283 424 H SER 72 H SER 72 2.207 12.129 -10.126 425 HA SER 72 HA SER 72 4.481 12.566 -8.468 426 HB3 SER 72 2HB SER 72 2.865 13.792 -7.078 427 HG SER 72 HG SER 72 1.943 15.063 -8.727 428 HA PRO 73 HA PRO 73 4.329 8.908 -6.214 429 HB3 PRO 73 2HB PRO 73 6.410 9.465 -5.458 430 HG3 PRO 73 2HG PRO 73 6.929 11.684 -4.760 431 HD3 PRO 73 2HD PRO 73 6.008 11.877 -6.923 432 H SER 74 H SER 74 2.726 11.675 -4.572 433 HA SER 74 HA SER 74 1.426 9.921 -2.650 434 HB3 SER 74 2HB SER 74 1.817 11.914 -1.675 435 HG SER 74 HG SER 74 0.868 13.427 -3.870 436 H CYS 75 H CYS 75 0.713 8.513 -4.466 437 HA CYS 75 HA CYS 75 -1.500 9.397 -6.148 438 HB3 CYS 75 2HB CYS 75 -1.895 6.807 -6.242 439 HG CYS 75 HG CYS 75 0.933 8.234 -7.272 440 H LEU 76 H LEU 76 -3.313 10.044 -5.298 441 HA LEU 76 HA LEU 76 -4.804 9.069 -3.085 442 HB3 LEU 76 2HB LEU 76 -5.225 11.219 -4.259 443 HG LEU 76 HG LEU 76 -6.225 9.370 -6.470 444 HD11 LEU 76 1HD1 LEU 76 -7.143 12.210 -6.052 445 HD12 LEU 76 2HD1 LEU 76 -8.128 10.749 -5.732 446 HD13 LEU 76 3HD1 LEU 76 -7.597 11.119 -7.369 447 HD21 LEU 76 3HD2 LEU 76 -4.654 11.989 -6.538 448 HD22 LEU 76 1HD2 LEU 76 -5.238 11.119 -7.968 449 HD23 LEU 76 2HD2 LEU 76 -4.026 10.374 -6.939 450 H VAL 77 H VAL 77 -7.200 8.133 -3.744 451 HA VAL 77 HA VAL 77 -7.061 6.000 -5.761 452 HB VAL 77 HB VAL 77 -7.733 5.547 -2.817 453 HG11 VAL 77 1HG1 VAL 77 -8.094 3.684 -5.198 454 HG12 VAL 77 2HG1 VAL 77 -8.131 3.156 -3.506 455 HG13 VAL 77 3HG1 VAL 77 -9.331 4.307 -4.104 456 HG21 VAL 77 3HG2 VAL 77 -5.959 3.799 -2.923 457 HG22 VAL 77 1HG2 VAL 77 -5.566 4.304 -4.581 458 HG23 VAL 77 2HG2 VAL 77 -5.316 5.404 -3.213 459 H GLN 78 H GLN 78 -9.195 5.533 -6.620 460 HA GLN 78 HA GLN 78 -11.262 7.456 -6.049 461 HB3 GLN 78 2HB GLN 78 -11.407 7.576 -8.231 462 HG3 GLN 78 2HG GLN 78 -9.986 4.897 -8.292 463 HE21 GLN 78 1HE2 GLN 78 -8.832 4.636 -10.632 464 HE22 GLN 78 2HE2 GLN 78 -10.029 4.714 -11.906 465 H SER 79 H SER 79 -13.469 6.665 -5.969 466 HA SER 79 HA SER 79 -14.174 4.461 -4.417 467 HB3 SER 79 2HB SER 79 -16.162 5.188 -6.475 468 HG SER 79 HG SER 79 -16.286 5.789 -3.737 469 H SER 80 H SER 80 -13.930 4.631 -8.042 470 HA SER 80 HA SER 80 -15.109 2.072 -8.466 471 HB3 SER 80 2HB SER 80 -13.216 3.781 -10.116 472 HG SER 80 HG SER 80 -12.979 1.941 -11.087 473 H SER 81 H SER 81 -11.810 2.914 -7.513 474 HA SER 81 HA SER 81 -10.776 0.229 -8.062 475 HB3 SER 81 2HB SER 81 -8.717 1.098 -7.206 476 HG SER 81 HG SER 81 -8.448 2.365 -8.907 477 H LEU 82 H LEU 82 -11.750 2.250 -5.263 478 HA LEU 82 HA LEU 82 -11.257 0.485 -3.133 479 HB3 LEU 82 2HB LEU 82 -13.303 1.792 -2.110 480 HG LEU 82 HG LEU 82 -10.724 3.067 -3.033 481 HD11 LEU 82 1HD1 LEU 82 -12.886 4.411 -1.365 482 HD12 LEU 82 2HD1 LEU 82 -12.385 4.885 -2.993 483 HD13 LEU 82 3HD1 LEU 82 -11.252 5.049 -1.650 484 HD21 LEU 82 3HD2 LEU 82 -10.328 3.152 -0.545 485 HD22 LEU 82 1HD2 LEU 82 -10.479 1.499 -1.192 486 HD23 LEU 82 2HD2 LEU 82 -11.825 2.262 -0.320 487 H SER 83 H SER 83 -14.011 0.417 -5.444 488 HA SER 83 HA SER 83 -15.784 -1.291 -4.326 489 HB3 SER 83 2HB SER 83 -16.066 -2.249 -6.618 490 HG SER 83 HG SER 83 -16.948 -0.290 -6.174 491 H ASN 84 H ASN 84 -12.475 -2.188 -5.209 492 HA ASN 84 HA ASN 84 -13.125 -5.082 -5.014 493 HB3 ASN 84 2HB ASN 84 -10.903 -5.443 -5.945 494 HD21 ASN 84 1HD2 ASN 84 -11.875 -2.234 -7.139 495 HD22 ASN 84 2HD2 ASN 84 -12.690 -2.863 -8.594 496 H ALA 85 H ALA 85 -12.101 -2.621 -2.884 497 HA ALA 85 HA ALA 85 -9.874 -3.978 -1.666 498 HB1 ALA 85 1HB ALA 85 -10.066 -2.226 0.057 499 HB2 ALA 85 2HB ALA 85 -10.111 -1.530 -1.579 500 HB3 ALA 85 3HB ALA 85 -11.615 -1.700 -0.631 501 H HIS 86 H HIS 86 -9.930 -5.586 -0.244 502 HA HIS 86 HA HIS 86 -12.471 -6.425 1.022 503 HB3 HIS 86 2HB HIS 86 -10.511 -8.162 1.923 504 HD1 HIS 86 1HD HIS 86 -12.494 -9.877 2.033 505 HD2 HIS 86 2HD HIS 86 -11.957 -8.027 -1.730 506 HE1 HIS 86 1HE HIS 86 -14.185 -10.917 0.468 507 H ILE 87 H ILE 87 -13.031 -5.827 2.944 508 HA ILE 87 HA ILE 87 -11.395 -4.068 4.585 509 HB ILE 87 HB ILE 87 -14.127 -5.297 5.170 510 HG13 ILE 87 2HG1 ILE 87 -15.170 -3.223 4.264 511 HG21 ILE 87 1HG2 ILE 87 -12.845 -2.738 6.205 512 HG22 ILE 87 2HG2 ILE 87 -14.508 -3.274 6.548 513 HG23 ILE 87 3HG2 ILE 87 -13.143 -4.230 7.116 514 HD11 ILE 87 3HD1 ILE 87 -14.035 -1.846 2.637 515 HD12 ILE 87 1HD1 ILE 87 -13.076 -1.775 4.125 516 HD13 ILE 87 2HD1 ILE 87 -12.552 -2.795 2.762 517 H ASP 88 H ASP 88 -10.434 -4.497 6.475 518 HA ASP 88 HA ASP 88 -9.805 -7.200 7.149 519 HB3 ASP 88 2HB ASP 88 -9.342 -4.589 8.655 520 H TYR 89 H TYR 89 -11.275 -8.575 8.051 521 HA TYR 89 HA TYR 89 -13.114 -7.530 10.153 522 HB3 TYR 89 2HB TYR 89 -14.002 -10.027 9.673 523 HD1 TYR 89 2HD TYR 89 -13.977 -7.011 7.381 524 HD2 TYR 89 1HD TYR 89 -16.246 -9.433 10.146 525 HE1 TYR 89 2HE TYR 89 -15.966 -5.591 6.993 526 HE2 TYR 89 1HE TYR 89 -18.255 -8.077 9.681 527 HH TYR 89 HH TYR 89 -19.190 -6.423 8.218 528 H THR 90 H THR 90 -10.149 -8.162 10.323 529 HA THR 90 HA THR 90 -10.272 -10.342 12.303 530 HB THR 90 HB THR 90 -7.760 -10.461 11.104 531 HG1 THR 90 1HG THR 90 -8.472 -9.122 9.368 532 HG21 THR 90 3HG2 THR 90 -9.143 -12.367 11.715 533 HG22 THR 90 1HG2 THR 90 -8.778 -12.462 9.985 534 HG23 THR 90 2HG2 THR 90 -10.377 -11.919 10.522 535 H THR 91 H THR 91 -9.492 -7.066 12.085 536 HA THR 91 HA THR 91 -8.655 -7.340 14.879 537 HB THR 91 HB THR 91 -7.334 -5.034 14.232 538 HG1 THR 91 1HG THR 91 -7.499 -5.998 11.863 539 HG21 THR 91 3HG2 THR 91 -6.164 -7.836 14.400 540 HG22 THR 91 1HG2 THR 91 -6.537 -6.754 15.747 541 HG23 THR 91 2HG2 THR 91 -5.265 -6.317 14.594 542 H LYS 92 H LYS 92 -9.476 -4.858 12.339 543 HA LYS 92 HA LYS 92 -11.953 -4.282 13.623 544 HB3 LYS 92 2HB LYS 92 -11.417 -1.766 13.611 545 HG3 LYS 92 2HG LYS 92 -9.699 -3.072 15.700 546 HD3 LYS 92 2HD LYS 92 -10.365 -0.546 15.614 547 HE3 LYS 92 2HE LYS 92 -12.897 -1.774 16.812 548 HZ1 LYS 92 3HZ LYS 92 -12.398 1.009 15.946 549 HZ2 LYS 92 1HZ LYS 92 -12.255 0.511 17.510 550 HZ3 LYS 92 2HZ LYS 92 -13.709 0.434 16.763 551 HA PRO 93 HA PRO 93 -12.625 -3.572 9.297 552 HB3 PRO 93 2HB PRO 93 -14.849 -3.349 9.654 553 HG3 PRO 93 2HG PRO 93 -15.669 -2.219 11.579 554 HD3 PRO 93 2HD PRO 93 -14.131 -3.863 12.416 555 H ALA 94 H ALA 94 -10.850 -2.870 8.468 556 HA ALA 94 HA ALA 94 -10.618 0.002 7.859 557 HB1 ALA 94 1HB ALA 94 -8.088 -0.297 8.146 558 HB2 ALA 94 2HB ALA 94 -9.003 -0.282 9.656 559 HB3 ALA 94 3HB ALA 94 -8.434 -1.822 8.982 560 H ILE 95 H ILE 95 -9.045 0.257 6.030 561 HA ILE 95 HA ILE 95 -8.934 -2.069 4.167 562 HB ILE 95 HB ILE 95 -8.862 0.943 3.669 563 HG13 ILE 95 2HG1 ILE 95 -11.123 0.061 4.008 564 HG21 ILE 95 1HG2 ILE 95 -7.231 -0.309 2.190 565 HG22 ILE 95 2HG2 ILE 95 -8.601 -1.270 1.621 566 HG23 ILE 95 3HG2 ILE 95 -8.535 0.481 1.316 567 HD11 ILE 95 3HD1 ILE 95 -10.768 0.147 0.987 568 HD12 ILE 95 1HD1 ILE 95 -12.255 0.349 1.903 569 HD13 ILE 95 2HD1 ILE 95 -10.981 1.579 2.024 570 H ILE 96 H ILE 96 -6.842 -2.707 3.489 571 HA ILE 96 HA ILE 96 -4.722 -1.764 5.345 572 HB ILE 96 HB ILE 96 -5.104 -4.587 4.323 573 HG13 ILE 96 2HG1 ILE 96 -6.029 -5.247 6.443 574 HG21 ILE 96 1HG2 ILE 96 -2.829 -4.170 5.040 575 HG22 ILE 96 2HG2 ILE 96 -3.374 -3.364 6.520 576 HG23 ILE 96 3HG2 ILE 96 -3.625 -5.103 6.312 577 HD11 ILE 96 3HD1 ILE 96 -5.158 -3.583 8.012 578 HD12 ILE 96 1HD1 ILE 96 -6.111 -2.306 7.207 579 HD13 ILE 96 2HD1 ILE 96 -6.922 -3.607 8.078 580 H PHE 97 H PHE 97 -2.851 -1.116 4.522 581 HA PHE 97 HA PHE 97 -2.459 -1.397 1.560 582 HB3 PHE 97 2HB PHE 97 -1.500 0.871 1.688 583 HD1 PHE 97 2HD PHE 97 -4.164 1.118 4.269 584 HD2 PHE 97 1HD PHE 97 -3.251 1.170 0.040 585 HE1 PHE 97 2HE PHE 97 -6.403 2.047 3.773 586 HE2 PHE 97 1HE PHE 97 -5.488 2.133 -0.433 587 HZ PHE 97 HZ PHE 97 -7.053 2.602 1.454 588 H ARG 98 H ARG 98 -0.525 -1.914 0.796 589 HA ARG 98 HA ARG 98 1.901 -1.805 2.534 590 HB3 ARG 98 2HB ARG 98 2.755 -3.393 0.649 591 HG3 ARG 98 2HG ARG 98 0.593 -4.796 2.225 592 HD3 ARG 98 2HD ARG 98 3.576 -5.248 1.789 593 HE ARG 98 HE ARG 98 1.758 -6.573 3.580 594 HH11 ARG 98 1HH1 ARG 98 4.501 -7.151 1.365 595 HH12 ARG 98 2HH1 ARG 98 4.891 -8.701 2.022 596 HH21 ARG 98 1HH2 ARG 98 2.473 -8.518 4.638 597 HH22 ARG 98 2HH2 ARG 98 3.880 -9.361 4.076 598 H ILE 99 H ILE 99 2.575 0.287 2.067 599 HA ILE 99 HA ILE 99 2.825 1.076 -0.801 600 HB ILE 99 HB ILE 99 3.217 2.728 1.714 601 HG13 ILE 99 2HG1 ILE 99 0.712 1.889 1.057 602 HG21 ILE 99 1HG2 ILE 99 3.104 4.682 0.191 603 HG22 ILE 99 2HG2 ILE 99 4.424 3.610 -0.271 604 HG23 ILE 99 3HG2 ILE 99 2.930 3.603 -1.199 605 HD11 ILE 99 3HD1 ILE 99 1.097 3.317 2.943 606 HD12 ILE 99 1HD1 ILE 99 1.536 4.679 1.896 607 HD13 ILE 99 2HD1 ILE 99 -0.135 4.076 1.917 608 H ALA 100 H ALA 100 4.937 1.415 -1.634 609 HA ALA 100 HA ALA 100 7.209 1.437 0.202 610 HB1 ALA 100 1HB ALA 100 7.031 -0.565 -2.108 611 HB2 ALA 100 2HB ALA 100 8.486 -0.232 -1.146 612 HB3 ALA 100 3HB ALA 100 7.067 -0.975 -0.378 613 H ALA 101 H ALA 101 8.893 2.664 -0.599 614 HA ALA 101 HA ALA 101 8.370 4.495 -2.810 615 HB1 ALA 101 1HB ALA 101 10.195 5.605 -2.054 616 HB2 ALA 101 2HB ALA 101 9.434 5.041 -0.577 617 HB3 ALA 101 3HB ALA 101 10.889 4.203 -1.183 618 H ARG 102 H ARG 102 9.090 4.111 -4.969 619 HA ARG 102 HA ARG 102 10.508 1.575 -5.491 620 HB3 ARG 102 2HB ARG 102 9.534 3.771 -7.324 621 HG3 ARG 102 2HG ARG 102 11.374 2.819 -8.482 622 HD3 ARG 102 2HD ARG 102 10.189 0.064 -8.019 623 HE ARG 102 HE ARG 102 11.968 1.073 -10.035 624 HH11 ARG 102 1HH1 ARG 102 11.157 -1.877 -8.153 625 HH12 ARG 102 2HH1 ARG 102 12.091 -2.897 -9.187 626 HH21 ARG 102 1HH2 ARG 102 13.252 -0.413 -11.349 627 HH22 ARG 102 2HH2 ARG 102 13.167 -2.119 -10.973 628 H ASN 103 H ASN 103 12.615 1.512 -5.292 629 HA ASN 103 HA ASN 103 14.335 3.869 -5.680 630 HB3 ASN 103 2HB ASN 103 13.892 3.439 -3.274 631 HD21 ASN 103 1HD2 ASN 103 14.981 2.003 -1.413 632 HD22 ASN 103 2HD2 ASN 103 14.669 0.274 -1.559 633 H GLU 104 H GLU 104 16.726 2.848 -5.503 634 HA GLU 104 HA GLU 104 17.107 1.081 -7.737 635 HB3 GLU 104 2HB GLU 104 19.449 0.863 -6.378 636 HG3 GLU 104 2HG GLU 104 18.693 3.465 -7.717 637 H LYS 105 H LYS 105 16.615 0.405 -4.302 638 HA LYS 105 HA LYS 105 17.891 -2.144 -4.395 639 HB3 LYS 105 2HB LYS 105 15.875 -1.926 -2.272 640 HG3 LYS 105 2HG LYS 105 17.724 -2.016 -0.783 641 HD3 LYS 105 2HD LYS 105 18.713 -3.681 -3.116 642 HE3 LYS 105 2HE LYS 105 18.385 -4.338 -0.161 643 HZ1 LYS 105 3HZ LYS 105 18.542 -6.245 -1.710 644 HZ2 LYS 105 1HZ LYS 105 19.842 -6.129 -0.691 645 HZ3 LYS 105 2HZ LYS 105 19.987 -5.663 -2.255 646 H GLY 106 H GLY 106 14.531 -1.203 -4.959 647 HA2 GLY 106 1HA GLY 106 12.908 -2.621 -6.044 648 HA3 GLY 106 2HA GLY 106 13.798 -4.046 -5.481 649 H TYR 107 H TYR 107 11.156 -3.971 -4.966 650 HA TYR 107 HA TYR 107 10.417 -2.557 -2.557 651 HB3 TYR 107 2HB TYR 107 8.242 -3.538 -2.929 652 HD1 TYR 107 1HD TYR 107 9.125 -0.955 -3.640 653 HD2 TYR 107 2HD TYR 107 8.151 -4.276 -6.180 654 HE1 TYR 107 1HE TYR 107 8.375 0.631 -5.451 655 HE2 TYR 107 2HE TYR 107 7.564 -2.755 -8.021 656 HH TYR 107 HH TYR 107 6.865 0.280 -7.797 657 H GLY 108 H GLY 108 12.291 -3.689 -1.512 658 HA2 GLY 108 1HA GLY 108 12.074 -6.383 -0.493 659 HA3 GLY 108 2HA GLY 108 13.027 -5.091 0.247 660 HA PRO 109 HA PRO 109 9.778 -4.732 3.311 661 HB3 PRO 109 2HB PRO 109 11.541 -3.455 4.338 662 HG3 PRO 109 2HG PRO 109 12.508 -1.581 3.251 663 HD3 PRO 109 2HD PRO 109 13.012 -3.521 1.990 664 H ALA 110 H ALA 110 7.796 -3.426 3.889 665 HA ALA 110 HA ALA 110 6.871 -1.316 2.192 666 HB1 ALA 110 1HB ALA 110 5.285 -3.923 2.422 667 HB2 ALA 110 2HB ALA 110 4.621 -2.382 1.846 668 HB3 ALA 110 3HB ALA 110 5.889 -3.188 0.914 669 H THR 111 H THR 111 4.952 -0.337 3.328 670 HA THR 111 HA THR 111 5.049 -0.720 6.257 671 HB THR 111 HB THR 111 5.021 1.496 5.230 672 HG1 THR 111 1HG THR 111 4.266 1.785 7.170 673 HG21 THR 111 3HG2 THR 111 3.530 1.105 3.335 674 HG22 THR 111 1HG2 THR 111 2.991 2.461 4.307 675 HG23 THR 111 2HG2 THR 111 2.143 0.897 4.428 676 H GLN 112 H GLN 112 2.566 -0.576 7.182 677 HA GLN 112 HA GLN 112 0.746 -2.300 5.710 678 HB3 GLN 112 2HB GLN 112 1.714 -3.341 8.381 679 HG3 GLN 112 2HG GLN 112 0.385 -4.904 6.177 680 HE21 GLN 112 1HE2 GLN 112 -1.296 -6.497 7.110 681 HE22 GLN 112 2HE2 GLN 112 -0.987 -7.090 8.723 682 H VAL 113 H VAL 113 -0.292 -0.147 5.920 683 HA VAL 113 HA VAL 113 -1.090 0.609 8.677 684 HB VAL 113 HB VAL 113 -1.692 2.716 7.742 685 HG11 VAL 113 1HG1 VAL 113 0.939 1.971 6.428 686 HG12 VAL 113 2HG1 VAL 113 0.483 3.532 7.148 687 HG13 VAL 113 3HG1 VAL 113 0.785 2.139 8.199 688 HG21 VAL 113 3HG2 VAL 113 -2.517 2.048 5.485 689 HG22 VAL 113 1HG2 VAL 113 -1.420 3.429 5.479 690 HG23 VAL 113 2HG2 VAL 113 -0.810 1.846 4.994 691 H ARG 114 H ARG 114 -3.295 1.225 9.126 692 HA ARG 114 HA ARG 114 -5.308 -0.214 7.490 693 HB3 ARG 114 2HB ARG 114 -4.765 -1.652 9.290 694 HG3 ARG 114 2HG ARG 114 -5.829 -0.374 11.618 695 HD3 ARG 114 2HD ARG 114 -3.398 -0.661 12.363 696 HE ARG 114 HE ARG 114 -5.358 -2.612 11.982 697 HH11 ARG 114 1HH1 ARG 114 -1.805 -2.592 12.005 698 HH12 ARG 114 2HH1 ARG 114 -1.658 -4.264 12.420 699 HH21 ARG 114 1HH2 ARG 114 -5.172 -4.910 12.498 700 HH22 ARG 114 2HH2 ARG 114 -3.618 -5.575 12.688 701 H TRP 115 H TRP 115 -6.669 1.196 6.681 702 HA TRP 115 HA TRP 115 -7.034 3.833 7.807 703 HB3 TRP 115 2HB TRP 115 -8.590 2.414 5.605 704 HD1 TRP 115 HD TRP 115 -7.838 5.871 7.138 705 HE1 TRP 115 1HE TRP 115 -9.202 7.665 5.967 706 HE3 TRP 115 3HE TRP 115 -10.097 2.987 3.565 707 HZ2 TRP 115 2HZ TRP 115 -11.348 7.778 3.959 708 HZ3 TRP 115 3HZ TRP 115 -11.719 4.014 1.975 709 HH2 TRP 115 HH TRP 115 -12.358 6.387 2.194 710 H LEU 116 H LEU 116 -7.722 3.332 9.934 711 HA LEU 116 HA LEU 116 -10.331 2.103 10.463 712 HB3 LEU 116 2HB LEU 116 -9.874 2.841 12.771 713 HG LEU 116 HG LEU 116 -7.597 1.340 11.430 714 HD11 LEU 116 1HD1 LEU 116 -6.708 2.480 13.410 715 HD12 LEU 116 2HD1 LEU 116 -6.837 0.733 13.702 716 HD13 LEU 116 3HD1 LEU 116 -8.037 1.841 14.399 717 HD21 LEU 116 3HD2 LEU 116 -8.576 -0.603 12.421 718 HD22 LEU 116 1HD2 LEU 116 -9.888 0.251 11.600 719 HD23 LEU 116 2HD2 LEU 116 -9.737 0.367 13.361 720 H GLN 117 H GLN 117 -10.841 3.866 8.675 721 HA GLN 117 HA GLN 117 -12.350 5.969 10.102 722 HB3 GLN 117 2HB GLN 117 -11.529 7.269 7.704 723 HG3 GLN 117 2HG GLN 117 -10.167 8.676 9.205 724 HE21 GLN 117 1HE2 GLN 117 -13.518 7.645 9.007 725 HE22 GLN 117 2HE2 GLN 117 -14.120 9.033 9.873 726 H GLU 118 H GLU 118 -12.725 3.261 8.677 727 HA GLU 118 HA GLU 118 -15.295 4.193 7.770 728 HB3 GLU 118 2HB GLU 118 -14.136 4.206 5.628 729 HG3 GLU 118 2HG GLU 118 -13.517 1.290 6.175 730 H THR 119 H THR 119 -16.750 2.298 7.379 731 HA THR 119 HA THR 119 -16.225 -0.113 8.931 732 HB THR 119 HB THR 119 -18.454 0.569 10.201 733 HG1 THR 119 1HG THR 119 -18.663 2.571 9.096 734 HG21 THR 119 3HG2 THR 119 -15.835 1.855 11.088 735 HG22 THR 119 1HG2 THR 119 -16.326 0.179 11.394 736 HG23 THR 119 2HG2 THR 119 -17.242 1.506 12.105 737 H SER 120 H SER 120 -17.353 -1.692 7.829 738 HA SER 120 HA SER 120 -18.835 -2.724 6.466 739 HB3 SER 120 2HB SER 120 -21.150 -2.271 7.069 740 HG SER 120 HG SER 120 -20.881 -2.765 9.135 741 H LYS 121 H LYS 121 -17.433 -0.571 5.053 742 HA LYS 121 HA LYS 121 -18.997 1.355 3.944 743 HB3 LYS 121 2HB LYS 121 -16.521 0.037 2.792 744 HG3 LYS 121 2HG LYS 121 -16.475 2.751 2.151 745 HD3 LYS 121 2HD LYS 121 -16.946 2.107 -0.189 746 HE3 LYS 121 2HE LYS 121 -15.130 0.603 -0.581 747 HZ1 LYS 121 3HZ LYS 121 -14.550 2.808 0.555 748 HZ2 LYS 121 1HZ LYS 121 -13.407 1.612 0.679 749 HZ3 LYS 121 2HZ LYS 121 -14.345 1.956 1.929 750 H ASP 122 H ASP 122 -18.169 -1.665 2.082 751 HA ASP 122 HA ASP 122 -20.937 -2.067 1.613 752 HB3 ASP 122 2HB ASP 122 -19.333 -1.415 -0.875 753 H SER 123 H SER 123 -21.307 -4.196 0.520 754 HA SER 123 HA SER 123 -19.298 -6.113 1.364 755 HB3 SER 123 2HB SER 123 -21.559 -6.555 1.863 756 HG SER 123 HG SER 123 -22.846 -5.536 0.470 757 H SER 124 H SER 124 -20.125 -4.670 -1.741 758 HA SER 124 HA SER 124 -19.569 -5.111 -3.880 759 HB3 SER 124 2HB SER 124 -17.268 -5.590 -4.362 760 HG SER 124 HG SER 124 -16.305 -4.082 -3.206 761 H GLY 125 H GLY 125 -21.295 -6.667 -4.232 762 HA2 GLY 125 1HA GLY 125 -21.418 -9.332 -3.613 763 HA3 GLY 125 2HA GLY 125 -22.116 -8.611 -5.060 764 H THR 126 H THR 126 -19.726 -7.939 -6.454 765 HA THR 126 HA THR 126 -18.298 -8.776 -7.958 766 HB THR 126 HB THR 126 -17.342 -10.648 -5.780 767 HG1 THR 126 1HG THR 126 -17.576 -8.578 -4.942 768 HG21 THR 126 3HG2 THR 126 -15.862 -9.170 -8.013 769 HG22 THR 126 1HG2 THR 126 -16.184 -10.914 -7.952 770 HG23 THR 126 2HG2 THR 126 -15.101 -10.175 -6.764 Start of MODEL 19 1 H1 GLY 1 H GLY 1 21.012 -12.907 8.615 2 HA2 GLY 1 1HA GLY 1 20.691 -10.726 7.636 3 HA3 GLY 1 2HA GLY 1 19.597 -11.457 6.449 4 H CYS 2 H CYS 2 19.924 -10.390 9.785 5 HA CYS 2 HA CYS 2 17.107 -9.676 9.706 6 HB3 CYS 2 2HB CYS 2 17.939 -11.010 12.275 7 HG CYS 2 HG CYS 2 15.369 -11.773 12.438 8 H LEU 3 H LEU 3 19.986 -8.593 9.758 9 HA LEU 3 HA LEU 3 19.551 -6.392 11.704 10 HB3 LEU 3 2HB LEU 3 21.719 -5.594 10.458 11 HG LEU 3 HG LEU 3 21.731 -6.217 12.849 12 HD11 LEU 3 1HD1 LEU 3 22.444 -9.006 11.833 13 HD12 LEU 3 2HD1 LEU 3 21.032 -8.551 12.821 14 HD13 LEU 3 3HD1 LEU 3 22.648 -8.450 13.508 15 HD21 LEU 3 3HD2 LEU 3 24.173 -6.670 12.926 16 HD22 LEU 3 1HD2 LEU 3 23.768 -5.454 11.707 17 HD23 LEU 3 2HD2 LEU 3 24.131 -7.109 11.195 18 HA PRO 4 HA PRO 4 17.416 -4.524 8.331 19 HB3 PRO 4 2HB PRO 4 16.841 -2.801 9.730 20 HG3 PRO 4 2HG PRO 4 18.397 -1.899 11.284 21 HD3 PRO 4 2HD PRO 4 18.475 -4.233 11.656 22 H GLY 5 H GLY 5 18.222 -5.106 6.325 23 HA2 GLY 5 1HA GLY 5 20.858 -4.259 5.399 24 HA3 GLY 5 2HA GLY 5 19.648 -5.194 4.509 25 H PHE 6 H PHE 6 17.794 -2.634 5.471 26 HA PHE 6 HA PHE 6 18.416 -0.929 3.173 27 HB3 PHE 6 2HB PHE 6 15.771 -0.804 3.494 28 HD1 PHE 6 1HD PHE 6 16.956 -4.321 3.041 29 HD2 PHE 6 2HD PHE 6 15.732 -0.671 1.082 30 HE1 PHE 6 1HE PHE 6 16.788 -5.533 0.891 31 HE2 PHE 6 2HE PHE 6 15.571 -1.881 -1.028 32 HZ PHE 6 HZ PHE 6 16.083 -4.324 -1.168 33 HA PRO 7 HA PRO 7 18.655 2.278 5.978 34 HB3 PRO 7 2HB PRO 7 18.753 3.739 4.226 35 HG3 PRO 7 2HG PRO 7 17.307 3.581 2.367 36 HD3 PRO 7 2HD PRO 7 18.275 1.453 2.653 37 H GLY 8 H GLY 8 15.107 2.367 5.086 38 HA2 GLY 8 1HA GLY 8 14.206 2.175 7.806 39 HA3 GLY 8 2HA GLY 8 14.157 3.828 7.122 40 H ALA 9 H ALA 9 11.763 2.761 7.711 41 HA ALA 9 HA ALA 9 10.568 1.689 5.199 42 HB1 ALA 9 1HB ALA 9 10.522 0.252 7.377 43 HB2 ALA 9 2HB ALA 9 9.373 1.460 7.982 44 HB3 ALA 9 3HB ALA 9 8.989 0.512 6.537 45 HA PRO 10 HA PRO 10 8.387 5.508 5.040 46 HB3 PRO 10 2HB PRO 10 7.253 4.914 3.149 47 HG3 PRO 10 2HG PRO 10 6.604 2.668 2.791 48 HD3 PRO 10 2HD PRO 10 8.759 2.211 3.637 49 H CYS 11 H CYS 11 6.859 6.899 6.089 50 HA CYS 11 HA CYS 11 5.323 5.870 8.380 51 HB3 CYS 11 2HB CYS 11 6.378 7.607 9.854 52 HG CYS 11 HG CYS 11 8.594 5.514 8.552 53 H ALA 12 H ALA 12 4.459 8.114 9.477 54 HA ALA 12 HA ALA 12 2.800 9.550 9.382 55 HB1 ALA 12 1HB ALA 12 4.374 10.825 7.131 56 HB2 ALA 12 2HB ALA 12 3.187 11.619 8.180 57 HB3 ALA 12 3HB ALA 12 4.724 11.049 8.862 58 H ILE 13 H ILE 13 2.169 7.263 8.113 59 HA ILE 13 HA ILE 13 1.187 7.723 5.441 60 HB ILE 13 HB ILE 13 0.879 5.350 7.322 61 HG13 ILE 13 2HG1 ILE 13 3.254 6.096 6.521 62 HG21 ILE 13 1HG2 ILE 13 0.411 5.585 4.307 63 HG22 ILE 13 2HG2 ILE 13 0.314 4.081 5.216 64 HG23 ILE 13 3HG2 ILE 13 -0.871 5.347 5.516 65 HD11 ILE 13 3HD1 ILE 13 2.428 3.381 5.629 66 HD12 ILE 13 1HD1 ILE 13 4.065 4.005 5.978 67 HD13 ILE 13 2HD1 ILE 13 2.863 3.873 7.302 68 H LYS 14 H LYS 14 -0.749 8.424 4.889 69 HA LYS 14 HA LYS 14 -2.995 8.283 6.831 70 HB3 LYS 14 2HB LYS 14 -3.547 10.616 6.158 71 HG3 LYS 14 2HG LYS 14 -0.832 10.419 7.512 72 HD3 LYS 14 2HD LYS 14 -2.928 12.489 8.202 73 HE3 LYS 14 2HE LYS 14 -0.001 12.020 8.565 74 HZ1 LYS 14 3HZ LYS 14 -0.940 14.795 8.218 75 HZ2 LYS 14 1HZ LYS 14 -0.001 13.968 7.131 76 HZ3 LYS 14 2HZ LYS 14 0.572 14.285 8.610 77 H ILE 15 H ILE 15 -5.040 8.265 5.810 78 HA ILE 15 HA ILE 15 -5.062 8.071 2.822 79 HB ILE 15 HB ILE 15 -6.690 6.378 4.771 80 HG13 ILE 15 2HG1 ILE 15 -4.056 5.862 3.428 81 HG21 ILE 15 1HG2 ILE 15 -7.287 5.164 2.602 82 HG22 ILE 15 2HG2 ILE 15 -7.952 6.784 2.761 83 HG23 ILE 15 3HG2 ILE 15 -6.549 6.509 1.726 84 HD11 ILE 15 3HD1 ILE 15 -3.984 4.050 5.179 85 HD12 ILE 15 1HD1 ILE 15 -4.110 5.685 5.846 86 HD13 ILE 15 2HD1 ILE 15 -5.538 4.629 5.793 87 H SER 16 H SER 16 -6.962 8.981 1.992 88 HA SER 16 HA SER 16 -8.963 10.270 3.780 89 HB3 SER 16 2HB SER 16 -8.658 12.415 3.041 90 HG SER 16 HG SER 16 -6.477 12.866 2.348 91 H LYS 17 H LYS 17 -10.992 10.215 2.893 92 HA LYS 17 HA LYS 17 -11.340 8.377 0.621 93 HB3 LYS 17 2HB LYS 17 -13.261 9.940 2.383 94 HG3 LYS 17 2HG LYS 17 -14.289 9.269 0.169 95 HD3 LYS 17 2HD LYS 17 -12.944 6.946 0.202 96 HE3 LYS 17 2HE LYS 17 -15.550 6.391 1.677 97 HZ1 LYS 17 3HZ LYS 17 -13.862 4.408 0.298 98 HZ2 LYS 17 1HZ LYS 17 -15.437 4.768 -0.057 99 HZ3 LYS 17 2HZ LYS 17 -15.087 4.061 1.339 100 H SER 18 H SER 18 -12.068 9.059 -1.401 101 HA SER 18 HA SER 18 -12.624 11.925 -1.867 102 HB3 SER 18 2HB SER 18 -11.683 11.409 -4.221 103 HG SER 18 HG SER 18 -9.600 11.763 -3.691 104 HA PRO 19 HA PRO 19 -16.186 10.104 -3.962 105 HB3 PRO 19 2HB PRO 19 -16.908 12.248 -4.463 106 HG3 PRO 19 2HG PRO 19 -15.382 13.941 -5.203 107 HD3 PRO 19 2HD PRO 19 -14.642 13.125 -3.076 108 H ASP 20 H ASP 20 -13.081 10.459 -5.565 109 HA ASP 20 HA ASP 20 -13.769 8.721 -7.822 110 HB3 ASP 20 2HB ASP 20 -11.357 9.103 -8.400 111 H GLY 21 H GLY 21 -12.112 8.451 -4.667 112 HA2 GLY 21 1HA GLY 21 -11.643 5.659 -4.689 113 HA3 GLY 21 2HA GLY 21 -10.256 6.532 -5.389 114 H ALA 22 H ALA 22 -8.846 5.848 -3.331 115 HA ALA 22 HA ALA 22 -9.591 7.885 -1.234 116 HB1 ALA 22 1HB ALA 22 -7.983 5.381 -0.690 117 HB2 ALA 22 2HB ALA 22 -8.661 6.552 0.449 118 HB3 ALA 22 3HB ALA 22 -9.741 5.484 -0.453 119 H HIS 23 H HIS 23 -8.107 9.427 -0.930 120 HA HIS 23 HA HIS 23 -5.611 9.685 -2.466 121 HB3 HIS 23 2HB HIS 23 -5.279 11.287 -0.346 122 HD1 HIS 23 1HD HIS 23 -5.233 13.773 -1.030 123 HD2 HIS 23 2HD HIS 23 -7.600 11.271 -3.461 124 HE1 HIS 23 1HE HIS 23 -6.067 15.224 -2.967 125 H LEU 24 H LEU 24 -3.716 8.639 -1.878 126 HA LEU 24 HA LEU 24 -3.482 7.729 0.960 127 HB3 LEU 24 2HB LEU 24 -1.936 6.111 0.174 128 HG LEU 24 HG LEU 24 -4.150 5.537 -1.795 129 HD11 LEU 24 1HD1 LEU 24 -2.772 3.914 0.381 130 HD12 LEU 24 2HD1 LEU 24 -2.149 4.027 -1.287 131 HD13 LEU 24 3HD1 LEU 24 -3.728 3.269 -0.979 132 HD21 LEU 24 3HD2 LEU 24 -4.486 5.539 1.170 133 HD22 LEU 24 1HD2 LEU 24 -5.438 4.495 0.078 134 HD23 LEU 24 2HD2 LEU 24 -5.526 6.233 -0.118 135 H THR 25 H THR 25 -1.585 8.490 2.027 136 HA THR 25 HA THR 25 0.591 9.442 0.361 137 HB THR 25 HB THR 25 -1.078 11.358 0.879 138 HG1 THR 25 1HG THR 25 0.826 11.998 0.163 139 HG21 THR 25 3HG2 THR 25 -0.876 12.477 2.943 140 HG22 THR 25 1HG2 THR 25 0.256 11.245 3.551 141 HG23 THR 25 2HG2 THR 25 -1.442 10.809 3.209 142 H TRP 26 H TRP 26 2.439 10.204 1.875 143 HA TRP 26 HA TRP 26 2.875 8.946 4.408 144 HB3 TRP 26 2HB TRP 26 2.716 6.907 3.258 145 HD1 TRP 26 HD TRP 26 5.767 7.945 1.123 146 HE1 TRP 26 1HE TRP 26 5.336 7.223 -1.264 147 HE3 TRP 26 3HE TRP 26 1.049 6.177 1.752 148 HZ2 TRP 26 2HZ TRP 26 3.046 6.026 -2.789 149 HZ3 TRP 26 3HZ TRP 26 -0.182 5.156 -0.119 150 HH2 TRP 26 HH TRP 26 0.644 5.259 -2.358 151 H GLU 27 H GLU 27 5.438 8.501 4.466 152 HA GLU 27 HA GLU 27 6.919 10.838 3.354 153 HB3 GLU 27 2HB GLU 27 8.467 10.080 5.401 154 HG3 GLU 27 2HG GLU 27 5.851 11.600 5.658 155 HA PRO 28 HA PRO 28 9.668 8.077 1.232 156 HB3 PRO 28 2HB PRO 28 10.941 9.910 0.683 157 HG3 PRO 28 2HG PRO 28 11.451 11.607 2.281 158 HD3 PRO 28 2HD PRO 28 9.103 11.375 2.134 159 HA PRO 29 HA PRO 29 11.414 5.047 4.135 160 HB3 PRO 29 2HB PRO 29 11.542 3.701 2.144 161 HG3 PRO 29 2HG PRO 29 12.743 4.577 0.194 162 HD3 PRO 29 2HD PRO 29 10.830 5.998 0.587 163 H SER 30 H SER 30 13.140 7.823 3.143 164 HA SER 30 HA SER 30 15.296 7.353 4.987 165 HB3 SER 30 2HB SER 30 17.078 7.771 3.383 166 HG SER 30 HG SER 30 15.732 5.644 3.480 167 H VAL 31 H VAL 31 15.899 9.300 5.860 168 HA VAL 31 HA VAL 31 14.051 11.464 5.428 169 HB VAL 31 HB VAL 31 15.630 12.610 7.069 170 HG11 VAL 31 1HG1 VAL 31 13.489 11.478 7.658 171 HG12 VAL 31 2HG1 VAL 31 14.343 9.938 7.806 172 HG13 VAL 31 3HG1 VAL 31 14.694 11.266 8.951 173 HG21 VAL 31 3HG2 VAL 31 17.113 11.353 8.437 174 HG22 VAL 31 1HG2 VAL 31 16.807 9.873 7.550 175 HG23 VAL 31 2HG2 VAL 31 17.690 11.212 6.774 176 H THR 32 H THR 32 17.506 11.215 4.885 177 HA THR 32 HA THR 32 17.710 13.478 3.084 178 HB THR 32 HB THR 32 19.601 12.445 4.335 179 HG1 THR 32 1HG THR 32 20.091 13.782 2.646 180 HG21 THR 32 3HG2 THR 32 19.525 10.270 2.216 181 HG22 THR 32 1HG2 THR 32 19.131 10.037 3.935 182 HG23 THR 32 2HG2 THR 32 20.773 10.499 3.454 183 H SER 33 H SER 33 18.068 13.272 0.667 184 HA SER 33 HA SER 33 15.703 12.513 -0.414 185 HB3 SER 33 2HB SER 33 16.685 12.956 -2.602 186 HG SER 33 HG SER 33 16.510 14.898 -1.784 187 H GLY 34 H GLY 34 18.698 10.464 -0.790 188 HA2 GLY 34 1HA GLY 34 18.800 8.184 -1.305 189 HA3 GLY 34 2HA GLY 34 17.040 8.104 -1.238 190 H LYS 35 H LYS 35 17.696 6.746 -3.132 191 HA LYS 35 HA LYS 35 17.332 8.332 -5.649 192 HB3 LYS 35 2HB LYS 35 18.208 6.306 -6.853 193 HG3 LYS 35 2HG LYS 35 20.251 7.546 -5.008 194 HD3 LYS 35 2HD LYS 35 20.848 5.766 -6.726 195 HE3 LYS 35 2HE LYS 35 19.473 6.424 -8.655 196 HZ1 LYS 35 3HZ LYS 35 21.024 8.936 -8.578 197 HZ2 LYS 35 1HZ LYS 35 19.377 8.734 -8.622 198 HZ3 LYS 35 2HZ LYS 35 20.295 8.386 -9.929 199 H ILE 36 H ILE 36 15.280 8.236 -4.462 200 HA ILE 36 HA ILE 36 13.607 5.806 -4.855 201 HB ILE 36 HB ILE 36 12.938 8.632 -3.975 202 HG13 ILE 36 2HG1 ILE 36 12.390 5.909 -2.707 203 HG21 ILE 36 1HG2 ILE 36 10.544 7.910 -3.828 204 HG22 ILE 36 2HG2 ILE 36 11.110 8.018 -5.493 205 HG23 ILE 36 3HG2 ILE 36 10.956 6.430 -4.708 206 HD11 ILE 36 3HD1 ILE 36 13.838 6.638 -0.861 207 HD12 ILE 36 1HD1 ILE 36 14.753 6.334 -2.328 208 HD13 ILE 36 2HD1 ILE 36 14.406 8.009 -1.838 209 H ILE 37 H ILE 37 12.479 5.388 -6.681 210 HA ILE 37 HA ILE 37 12.421 7.419 -8.841 211 HB ILE 37 HB ILE 37 12.689 5.520 -10.416 212 HG13 ILE 37 2HG1 ILE 37 12.140 3.673 -8.790 213 HG21 ILE 37 1HG2 ILE 37 14.535 7.103 -9.768 214 HG22 ILE 37 2HG2 ILE 37 15.108 5.900 -8.586 215 HG23 ILE 37 3HG2 ILE 37 15.117 5.533 -10.326 216 HD11 ILE 37 3HD1 ILE 37 13.656 2.039 -9.656 217 HD12 ILE 37 1HD1 ILE 37 13.250 3.173 -10.963 218 HD13 ILE 37 2HD1 ILE 37 14.828 3.276 -10.136 219 H GLU 38 H GLU 38 10.775 5.003 -6.902 220 HA GLU 38 HA GLU 38 8.193 5.571 -8.104 221 HB3 GLU 38 2HB GLU 38 8.383 2.735 -8.177 222 HG3 GLU 38 2HG GLU 38 8.689 4.607 -10.541 223 H TYR 39 H TYR 39 6.743 3.618 -6.999 224 HA TYR 39 HA TYR 39 7.654 2.996 -4.277 225 HB3 TYR 39 2HB TYR 39 4.932 3.712 -3.913 226 HD1 TYR 39 2HD TYR 39 7.813 6.131 -3.860 227 HD2 TYR 39 1HD TYR 39 5.377 3.408 -1.576 228 HE1 TYR 39 2HE TYR 39 8.827 6.976 -1.773 229 HE2 TYR 39 1HE TYR 39 6.388 4.270 0.522 230 HH TYR 39 HH TYR 39 7.772 6.813 1.147 231 H SER 40 H SER 40 5.562 1.603 -3.318 232 HA SER 40 HA SER 40 4.084 0.232 -5.425 233 HB3 SER 40 2HB SER 40 5.687 -1.509 -4.995 234 HG SER 40 HG SER 40 6.513 -0.573 -2.985 235 H VAL 41 H VAL 41 2.081 -0.561 -4.589 236 HA VAL 41 HA VAL 41 1.255 0.123 -1.889 237 HB VAL 41 HB VAL 41 -0.251 1.238 -4.287 238 HG11 VAL 41 1HG1 VAL 41 -1.583 2.396 -2.696 239 HG12 VAL 41 2HG1 VAL 41 -1.466 0.738 -2.103 240 HG13 VAL 41 3HG1 VAL 41 -0.481 2.001 -1.351 241 HG21 VAL 41 3HG2 VAL 41 1.790 2.575 -4.255 242 HG22 VAL 41 1HG2 VAL 41 0.402 3.496 -3.698 243 HG23 VAL 41 2HG2 VAL 41 1.582 2.875 -2.513 244 H TYR 42 H TYR 42 0.389 -1.771 -1.360 245 HA TYR 42 HA TYR 42 -1.148 -3.283 -3.400 246 HB3 TYR 42 2HB TYR 42 -0.576 -5.273 -2.356 247 HD1 TYR 42 2HD TYR 42 0.260 -5.449 -4.672 248 HD2 TYR 42 1HD TYR 42 2.663 -3.896 -1.459 249 HE1 TYR 42 2HE TYR 42 2.245 -5.619 -6.092 250 HE2 TYR 42 1HE TYR 42 4.686 -4.044 -2.911 251 HH TYR 42 HH TYR 42 4.732 -4.108 -6.085 252 H LEU 43 H LEU 43 -2.906 -4.598 -2.412 253 HA LEU 43 HA LEU 43 -4.228 -3.563 -0.055 254 HB3 LEU 43 2HB LEU 43 -5.168 -3.073 -2.905 255 HG LEU 43 HG LEU 43 -7.117 -3.978 -1.653 256 HD11 LEU 43 1HD1 LEU 43 -8.094 -2.627 0.137 257 HD12 LEU 43 2HD1 LEU 43 -6.648 -1.575 0.180 258 HD13 LEU 43 3HD1 LEU 43 -6.548 -3.286 0.657 259 HD21 LEU 43 3HD2 LEU 43 -7.497 -2.389 -3.397 260 HD22 LEU 43 1HD2 LEU 43 -7.096 -1.016 -2.348 261 HD23 LEU 43 2HD2 LEU 43 -8.574 -1.967 -2.076 262 H ALA 44 H ALA 44 -5.632 -5.188 0.663 263 HA ALA 44 HA ALA 44 -5.350 -7.860 -0.487 264 HB1 ALA 44 1HB ALA 44 -6.664 -6.687 1.981 265 HB2 ALA 44 2HB ALA 44 -6.937 -8.344 1.458 266 HB3 ALA 44 3HB ALA 44 -5.292 -7.827 1.850 267 H ILE 45 H ILE 45 -6.899 -9.040 -1.484 268 HA ILE 45 HA ILE 45 -9.517 -7.895 -2.081 269 HB ILE 45 HB ILE 45 -9.279 -8.127 -4.461 270 HG13 ILE 45 2HG1 ILE 45 -7.158 -9.841 -4.052 271 HG21 ILE 45 1HG2 ILE 45 -8.039 -6.207 -5.010 272 HG22 ILE 45 2HG2 ILE 45 -8.777 -5.942 -3.437 273 HG23 ILE 45 3HG2 ILE 45 -7.041 -6.306 -3.542 274 HD11 ILE 45 3HD1 ILE 45 -7.691 -8.269 -6.579 275 HD12 ILE 45 1HD1 ILE 45 -6.937 -9.881 -6.435 276 HD13 ILE 45 2HD1 ILE 45 -8.644 -9.644 -6.011 277 H GLN 46 H GLN 46 -10.333 -9.710 -4.005 278 HA GLN 46 HA GLN 46 -9.651 -12.435 -3.292 279 HB3 GLN 46 2HB GLN 46 -11.174 -12.027 -1.599 280 HG3 GLN 46 2HG GLN 46 -12.455 -10.159 -3.371 281 HE21 GLN 46 1HE2 GLN 46 -13.718 -11.775 -4.713 282 HE22 GLN 46 2HE2 GLN 46 -15.358 -12.109 -4.165 283 H SER 47 H SER 47 -8.902 -12.467 -5.517 284 HA SER 47 HA SER 47 -10.964 -13.079 -7.437 285 HB3 SER 47 2HB SER 47 -9.935 -11.605 -9.241 286 HG SER 47 HG SER 47 -11.232 -10.165 -7.166 287 H SER 48 H SER 48 -7.500 -12.179 -7.880 288 HA SER 48 HA SER 48 -6.691 -14.852 -7.123 289 HB3 SER 48 2HB SER 48 -5.244 -14.964 -9.390 290 HG SER 48 HG SER 48 -6.614 -16.554 -8.906 291 H GLN 49 H GLN 49 -6.046 -11.712 -7.723 292 HA GLN 49 HA GLN 49 -3.563 -11.776 -8.793 293 HB3 GLN 49 2HB GLN 49 -3.326 -9.340 -7.985 294 HG3 GLN 49 2HG GLN 49 -4.133 -9.621 -10.143 295 HE21 GLN 49 1HE2 GLN 49 -5.006 -11.305 -11.339 296 HE22 GLN 49 2HE2 GLN 49 -6.591 -11.959 -11.082 297 H ALA 50 H ALA 50 -1.556 -12.037 -8.247 298 HA ALA 50 HA ALA 50 -0.717 -11.577 -5.439 299 HB1 ALA 50 1HB ALA 50 0.988 -13.278 -5.720 300 HB2 ALA 50 2HB ALA 50 -0.614 -13.980 -5.996 301 HB3 ALA 50 3HB ALA 50 0.441 -13.602 -7.382 302 H SER 51 H SER 51 1.103 -10.424 -5.204 303 HA SER 51 HA SER 51 3.146 -9.797 -6.706 304 HB3 SER 51 2HB SER 51 1.979 -8.687 -8.458 305 HG SER 51 HG SER 51 0.102 -8.202 -6.834 306 H GLY 52 H GLY 52 4.535 -8.894 -5.152 307 HA2 GLY 52 1HA GLY 52 3.570 -7.037 -3.103 308 HA3 GLY 52 2HA GLY 52 3.623 -8.701 -2.550 309 H GLU 53 H GLU 53 6.223 -8.206 -4.770 310 HA GLU 53 HA GLU 53 7.946 -8.424 -2.379 311 HB3 GLU 53 2HB GLU 53 7.302 -10.554 -3.199 312 HG3 GLU 53 2HG GLU 53 8.099 -11.414 -5.385 313 HA PRO 54 HA PRO 54 11.001 -5.970 -4.467 314 HB3 PRO 54 2HB PRO 54 12.138 -5.743 -2.499 315 HG3 PRO 54 2HG PRO 54 12.067 -7.410 -0.861 316 HD3 PRO 54 2HD PRO 54 9.821 -7.408 -1.433 317 H LYS 55 H LYS 55 12.981 -6.134 -5.676 318 HA LYS 55 HA LYS 55 12.883 -7.996 -7.816 319 HB3 LYS 55 2HB LYS 55 15.290 -6.263 -7.287 320 HG3 LYS 55 2HG LYS 55 14.511 -7.327 -9.619 321 HD3 LYS 55 2HD LYS 55 13.039 -4.658 -9.338 322 HE3 LYS 55 2HE LYS 55 14.378 -4.943 -11.492 323 HZ1 LYS 55 3HZ LYS 55 12.255 -6.974 -11.860 324 HZ2 LYS 55 1HZ LYS 55 13.852 -7.205 -12.043 325 HZ3 LYS 55 2HZ LYS 55 13.005 -6.277 -13.119 326 H SER 56 H SER 56 13.936 -8.812 -4.818 327 HA SER 56 HA SER 56 16.619 -9.602 -5.112 328 HB3 SER 56 2HB SER 56 16.242 -10.791 -3.034 329 HG SER 56 HG SER 56 15.769 -9.044 -1.965 330 H SER 57 H SER 57 13.588 -11.397 -5.643 331 HA SER 57 HA SER 57 14.649 -13.199 -7.590 332 HB3 SER 57 2HB SER 57 15.888 -14.314 -5.970 333 HG SER 57 HG SER 57 15.384 -14.539 -3.936 334 H THR 58 H THR 58 12.180 -11.541 -6.592 335 HA THR 58 HA THR 58 9.992 -11.689 -6.208 336 HB THR 58 HB THR 58 10.315 -13.321 -8.733 337 HG1 THR 58 1HG THR 58 9.742 -10.595 -8.162 338 HG21 THR 58 3HG2 THR 58 7.814 -11.868 -7.751 339 HG22 THR 58 1HG2 THR 58 7.979 -13.620 -7.994 340 HG23 THR 58 2HG2 THR 58 8.055 -12.556 -9.365 341 HA PRO 59 HA PRO 59 9.436 -15.631 -3.896 342 HB3 PRO 59 2HB PRO 59 10.591 -14.966 -2.028 343 HG3 PRO 59 2HG PRO 59 11.018 -12.643 -1.593 344 HD3 PRO 59 2HD PRO 59 11.745 -12.973 -3.810 345 H ALA 60 H ALA 60 7.479 -16.285 -2.979 346 HA ALA 60 HA ALA 60 5.051 -14.941 -3.734 347 HB1 ALA 60 1HB ALA 60 5.347 -17.399 -3.792 348 HB2 ALA 60 2HB ALA 60 5.631 -17.395 -2.029 349 HB3 ALA 60 3HB ALA 60 4.040 -16.952 -2.675 350 H GLN 61 H GLN 61 6.127 -13.068 -2.268 351 HA GLN 61 HA GLN 61 5.310 -13.168 0.604 352 HB3 GLN 61 2HB GLN 61 5.993 -10.722 0.504 353 HG3 GLN 61 2HG GLN 61 8.490 -11.254 -0.036 354 HE21 GLN 61 1HE2 GLN 61 8.607 -10.297 2.070 355 HE22 GLN 61 2HE2 GLN 61 8.136 -11.132 3.525 356 H LEU 62 H LEU 62 3.256 -13.406 0.808 357 HA LEU 62 HA LEU 62 1.102 -13.153 0.913 358 HB3 LEU 62 2HB LEU 62 0.302 -10.878 1.087 359 HG LEU 62 HG LEU 62 2.042 -11.701 2.896 360 HD11 LEU 62 1HD1 LEU 62 3.947 -9.807 2.898 361 HD12 LEU 62 2HD1 LEU 62 3.754 -10.037 1.157 362 HD13 LEU 62 3HD1 LEU 62 4.158 -11.418 2.189 363 HD21 LEU 62 3HD2 LEU 62 0.448 -9.792 3.215 364 HD22 LEU 62 1HD2 LEU 62 1.636 -8.687 2.456 365 HD23 LEU 62 2HD2 LEU 62 1.992 -9.480 3.999 366 H ALA 63 H ALA 63 -0.582 -11.362 -0.591 367 HA ALA 63 HA ALA 63 0.053 -11.567 -3.326 368 HB1 ALA 63 1HB ALA 63 -2.016 -12.992 -4.000 369 HB2 ALA 63 2HB ALA 63 -0.676 -13.879 -3.272 370 HB3 ALA 63 3HB ALA 63 -2.119 -13.472 -2.298 371 H PHE 64 H PHE 64 -0.903 -9.753 -4.252 372 HA PHE 64 HA PHE 64 -3.429 -8.692 -3.138 373 HB3 PHE 64 2HB PHE 64 -2.282 -6.512 -2.921 374 HD1 PHE 64 1HD PHE 64 -3.414 -8.345 -0.923 375 HD2 PHE 64 2HD PHE 64 0.694 -7.122 -1.483 376 HE1 PHE 64 1HE PHE 64 -2.966 -8.721 1.478 377 HE2 PHE 64 2HE PHE 64 1.116 -7.466 0.848 378 HZ PHE 64 HZ PHE 64 -0.729 -8.219 2.399 379 H MET 65 H MET 65 -4.260 -6.959 -4.456 380 HA MET 65 HA MET 65 -4.134 -7.422 -7.259 381 HB3 MET 65 2HB MET 65 -5.426 -5.165 -5.684 382 HG3 MET 65 2HG MET 65 -5.661 -6.022 -8.568 383 HE1 MET 65 3HE MET 65 -7.918 -3.227 -8.160 384 HE2 MET 65 1HE MET 65 -7.892 -4.155 -9.683 385 HE3 MET 65 2HE MET 65 -9.397 -4.030 -8.740 386 H ARG 66 H ARG 66 -2.474 -5.102 -5.283 387 HA ARG 66 HA ARG 66 -0.941 -3.449 -5.690 388 HB3 ARG 66 2HB ARG 66 -0.705 -4.502 -8.535 389 HG3 ARG 66 2HG ARG 66 1.095 -2.787 -6.809 390 HD3 ARG 66 2HD ARG 66 2.460 -4.522 -7.858 391 HE ARG 66 HE ARG 66 0.947 -3.915 -10.307 392 HH11 ARG 66 1HH1 ARG 66 3.979 -5.361 -9.039 393 HH12 ARG 66 2HH1 ARG 66 4.228 -6.334 -10.430 394 HH21 ARG 66 1HH2 ARG 66 1.377 -5.018 -12.134 395 HH22 ARG 66 2HH2 ARG 66 2.805 -5.994 -12.385 396 H VAL 67 H VAL 67 -2.701 -2.035 -5.230 397 HA VAL 67 HA VAL 67 -4.228 -0.801 -7.349 398 HB VAL 67 HB VAL 67 -4.824 0.836 -5.426 399 HG11 VAL 67 1HG1 VAL 67 -6.339 -0.775 -4.494 400 HG12 VAL 67 2HG1 VAL 67 -6.148 -1.140 -6.204 401 HG13 VAL 67 3HG1 VAL 67 -5.329 -2.148 -5.008 402 HG21 VAL 67 3HG2 VAL 67 -2.804 0.423 -4.027 403 HG22 VAL 67 1HG2 VAL 67 -4.333 0.196 -3.171 404 HG23 VAL 67 2HG2 VAL 67 -3.396 -1.216 -3.673 405 H TYR 68 H TYR 68 -1.045 -0.436 -6.219 406 HA TYR 68 HA TYR 68 -0.352 2.204 -6.940 407 HB3 TYR 68 2HB TYR 68 0.994 -0.505 -6.905 408 HD1 TYR 68 1HD TYR 68 2.487 2.879 -6.597 409 HD2 TYR 68 2HD TYR 68 2.283 -0.753 -8.931 410 HE1 TYR 68 1HE TYR 68 4.387 3.633 -7.961 411 HE2 TYR 68 2HE TYR 68 4.225 0.004 -10.276 412 HH TYR 68 HH TYR 68 6.148 1.753 -10.143 413 H CYS 69 H CYS 69 -0.783 3.164 -8.846 414 HA CYS 69 HA CYS 69 0.661 2.174 -10.991 415 HB3 CYS 69 2HB CYS 69 -2.268 2.502 -11.781 416 HG CYS 69 HG CYS 69 -1.614 0.686 -13.749 417 H GLY 70 H GLY 70 0.389 4.503 -9.280 418 HA2 GLY 70 1HA GLY 70 -0.340 6.710 -11.141 419 HA3 GLY 70 2HA GLY 70 0.137 6.883 -9.444 420 HA PRO 71 HA PRO 71 3.916 7.116 -12.368 421 HB3 PRO 71 2HB PRO 71 3.205 8.641 -13.947 422 HG3 PRO 71 2HG PRO 71 1.542 10.278 -13.437 423 HD3 PRO 71 2HD PRO 71 0.602 8.187 -12.871 424 H SER 72 H SER 72 2.704 9.069 -9.686 425 HA SER 72 HA SER 72 5.456 9.417 -8.607 426 HB3 SER 72 2HB SER 72 4.846 11.579 -7.891 427 HG SER 72 HG SER 72 4.759 11.362 -10.272 428 HA PRO 73 HA PRO 73 3.649 7.448 -4.928 429 HB3 PRO 73 2HB PRO 73 5.754 7.516 -3.962 430 HG3 PRO 73 2HG PRO 73 7.133 9.457 -4.099 431 HD3 PRO 73 2HD PRO 73 6.635 8.899 -6.351 432 H SER 74 H SER 74 2.474 8.072 -2.811 433 HA SER 74 HA SER 74 0.614 8.916 -1.964 434 HB3 SER 74 2HB SER 74 2.390 11.312 -2.292 435 HG SER 74 HG SER 74 0.074 11.916 -2.384 436 H CYS 75 H CYS 75 -0.217 7.950 -4.200 437 HA CYS 75 HA CYS 75 -1.885 10.069 -5.475 438 HB3 CYS 75 2HB CYS 75 -2.091 8.522 -7.406 439 HG CYS 75 HG CYS 75 1.120 8.940 -6.692 440 H LEU 76 H LEU 76 -4.003 9.169 -6.249 441 HA LEU 76 HA LEU 76 -5.319 7.990 -4.060 442 HB3 LEU 76 2HB LEU 76 -6.348 9.751 -5.407 443 HG LEU 76 HG LEU 76 -6.436 7.622 -7.594 444 HD11 LEU 76 1HD1 LEU 76 -8.297 10.013 -7.415 445 HD12 LEU 76 2HD1 LEU 76 -8.786 8.325 -7.071 446 HD13 LEU 76 3HD1 LEU 76 -8.236 8.796 -8.679 447 HD21 LEU 76 3HD2 LEU 76 -5.995 9.673 -9.041 448 HD22 LEU 76 1HD2 LEU 76 -4.684 9.285 -7.936 449 HD23 LEU 76 2HD2 LEU 76 -5.804 10.614 -7.562 450 H VAL 77 H VAL 77 -7.026 6.264 -4.272 451 HA VAL 77 HA VAL 77 -6.372 4.039 -6.141 452 HB VAL 77 HB VAL 77 -5.621 3.446 -4.020 453 HG11 VAL 77 1HG1 VAL 77 -8.213 4.036 -2.786 454 HG12 VAL 77 2HG1 VAL 77 -6.922 3.038 -2.069 455 HG13 VAL 77 3HG1 VAL 77 -6.599 4.730 -2.456 456 HG21 VAL 77 3HG2 VAL 77 -6.941 1.346 -3.632 457 HG22 VAL 77 1HG2 VAL 77 -8.334 2.101 -4.397 458 HG23 VAL 77 2HG2 VAL 77 -6.927 1.681 -5.387 459 H GLN 78 H GLN 78 -7.868 3.838 -7.465 460 HA GLN 78 HA GLN 78 -10.347 5.198 -7.605 461 HB3 GLN 78 2HB GLN 78 -10.698 3.696 -9.594 462 HG3 GLN 78 2HG GLN 78 -8.200 5.299 -9.169 463 HE21 GLN 78 1HE2 GLN 78 -6.235 3.975 -9.491 464 HE22 GLN 78 2HE2 GLN 78 -6.089 3.032 -10.947 465 H SER 79 H SER 79 -12.522 4.518 -7.371 466 HA SER 79 HA SER 79 -12.972 2.704 -5.248 467 HB3 SER 79 2HB SER 79 -14.320 4.552 -5.499 468 HG SER 79 HG SER 79 -15.235 5.191 -7.284 469 H SER 80 H SER 80 -12.985 2.093 -8.747 470 HA SER 80 HA SER 80 -14.111 -0.539 -8.634 471 HB3 SER 80 2HB SER 80 -14.113 0.046 -10.785 472 HG SER 80 HG SER 80 -11.719 1.500 -10.894 473 H SER 81 H SER 81 -11.448 0.452 -6.969 474 HA SER 81 HA SER 81 -10.314 -2.316 -7.034 475 HB3 SER 81 2HB SER 81 -8.344 -1.335 -5.978 476 HG SER 81 HG SER 81 -9.381 0.018 -8.219 477 H LEU 82 H LEU 82 -11.735 0.306 -5.026 478 HA LEU 82 HA LEU 82 -11.526 -1.043 -2.521 479 HB3 LEU 82 2HB LEU 82 -13.459 0.684 -2.017 480 HG LEU 82 HG LEU 82 -11.756 2.635 -2.349 481 HD11 LEU 82 1HD1 LEU 82 -11.011 0.176 -0.661 482 HD12 LEU 82 2HD1 LEU 82 -12.134 1.451 -0.164 483 HD13 LEU 82 3HD1 LEU 82 -10.429 1.834 -0.382 484 HD21 LEU 82 3HD2 LEU 82 -9.799 0.579 -3.044 485 HD22 LEU 82 1HD2 LEU 82 -9.553 2.257 -2.482 486 HD23 LEU 82 2HD2 LEU 82 -10.444 1.982 -3.983 487 H SER 83 H SER 83 -14.031 -0.911 -4.982 488 HA SER 83 HA SER 83 -16.094 -2.371 -3.664 489 HB3 SER 83 2HB SER 83 -17.009 -2.668 -5.889 490 HG SER 83 HG SER 83 -15.570 -0.204 -5.852 491 H ASN 84 H ASN 84 -13.033 -3.497 -4.282 492 HA ASN 84 HA ASN 84 -13.795 -6.288 -4.861 493 HB3 ASN 84 2HB ASN 84 -11.889 -6.441 -6.298 494 HD21 ASN 84 1HD2 ASN 84 -12.766 -6.444 -8.388 495 HD22 ASN 84 2HD2 ASN 84 -13.817 -5.162 -8.954 496 H ALA 85 H ALA 85 -12.832 -4.436 -2.405 497 HA ALA 85 HA ALA 85 -10.460 -6.000 -1.528 498 HB1 ALA 85 1HB ALA 85 -11.356 -3.157 -0.892 499 HB2 ALA 85 2HB ALA 85 -9.908 -3.954 -0.266 500 HB3 ALA 85 3HB ALA 85 -10.049 -3.627 -2.007 501 H HIS 86 H HIS 86 -10.675 -7.080 0.467 502 HA HIS 86 HA HIS 86 -13.326 -7.000 1.749 503 HB3 HIS 86 2HB HIS 86 -10.972 -8.647 2.682 504 HD1 HIS 86 1HD HIS 86 -12.367 -9.202 4.923 505 HD2 HIS 86 2HD HIS 86 -14.256 -10.064 1.232 506 HE1 HIS 86 1HE HIS 86 -14.261 -10.816 5.425 507 H ILE 87 H ILE 87 -13.524 -6.836 4.069 508 HA ILE 87 HA ILE 87 -11.802 -4.786 5.300 509 HB ILE 87 HB ILE 87 -14.382 -6.133 6.231 510 HG13 ILE 87 2HG1 ILE 87 -15.507 -3.968 5.679 511 HG21 ILE 87 1HG2 ILE 87 -12.934 -3.695 7.359 512 HG22 ILE 87 2HG2 ILE 87 -14.568 -4.209 7.818 513 HG23 ILE 87 3HG2 ILE 87 -13.203 -5.259 8.153 514 HD11 ILE 87 3HD1 ILE 87 -14.563 -2.422 4.080 515 HD12 ILE 87 1HD1 ILE 87 -13.495 -2.458 5.487 516 HD13 ILE 87 2HD1 ILE 87 -13.045 -3.322 3.990 517 H ASP 88 H ASP 88 -10.783 -5.094 7.242 518 HA ASP 88 HA ASP 88 -9.746 -7.781 7.694 519 HB3 ASP 88 2HB ASP 88 -9.120 -5.077 8.959 520 H TYR 89 H TYR 89 -10.877 -9.091 8.978 521 HA TYR 89 HA TYR 89 -12.365 -7.957 11.299 522 HB3 TYR 89 2HB TYR 89 -13.336 -10.562 10.580 523 HD1 TYR 89 2HD TYR 89 -14.084 -7.049 9.438 524 HD2 TYR 89 1HD TYR 89 -15.327 -10.389 11.870 525 HE1 TYR 89 2HE TYR 89 -16.087 -5.775 10.136 526 HE2 TYR 89 1HE TYR 89 -17.331 -9.135 12.574 527 HH TYR 89 HH TYR 89 -17.887 -5.737 11.600 528 H THR 90 H THR 90 -9.516 -8.682 11.038 529 HA THR 90 HA THR 90 -9.326 -11.119 12.699 530 HB THR 90 HB THR 90 -7.124 -9.546 11.288 531 HG1 THR 90 1HG THR 90 -7.537 -10.459 9.493 532 HG21 THR 90 3HG2 THR 90 -5.939 -11.722 11.322 533 HG22 THR 90 1HG2 THR 90 -7.317 -12.441 12.189 534 HG23 THR 90 2HG2 THR 90 -6.348 -11.173 12.962 535 H THR 91 H THR 91 -8.130 -7.766 12.332 536 HA THR 91 HA THR 91 -7.143 -7.737 15.118 537 HB THR 91 HB THR 91 -6.362 -6.087 12.676 538 HG1 THR 91 1HG THR 91 -5.104 -8.380 13.796 539 HG21 THR 91 3HG2 THR 91 -4.320 -5.591 13.950 540 HG22 THR 91 1HG2 THR 91 -4.920 -6.544 15.319 541 HG23 THR 91 2HG2 THR 91 -5.757 -5.054 14.828 542 H LYS 92 H LYS 92 -8.721 -5.608 12.607 543 HA LYS 92 HA LYS 92 -10.524 -4.429 14.470 544 HB3 LYS 92 2HB LYS 92 -9.743 -2.066 13.744 545 HG3 LYS 92 2HG LYS 92 -7.789 -3.403 15.629 546 HD3 LYS 92 2HD LYS 92 -8.679 -1.265 16.955 547 HE3 LYS 92 2HE LYS 92 -6.937 0.171 15.893 548 HZ1 LYS 92 3HZ LYS 92 -6.572 -1.842 17.473 549 HZ2 LYS 92 1HZ LYS 92 -5.331 -0.963 16.914 550 HZ3 LYS 92 2HZ LYS 92 -5.678 -2.441 16.240 551 HA PRO 93 HA PRO 93 -12.623 -3.987 10.500 552 HB3 PRO 93 2HB PRO 93 -14.557 -3.619 11.717 553 HG3 PRO 93 2HG PRO 93 -14.530 -2.251 13.701 554 HD3 PRO 93 2HD PRO 93 -13.025 -4.065 13.923 555 H ALA 94 H ALA 94 -11.030 -3.342 9.145 556 HA ALA 94 HA ALA 94 -11.013 -0.570 8.272 557 HB1 ALA 94 1HB ALA 94 -8.455 -0.495 8.410 558 HB2 ALA 94 2HB ALA 94 -9.330 -0.441 9.947 559 HB3 ALA 94 3HB ALA 94 -8.528 -1.944 9.441 560 H ILE 95 H ILE 95 -9.499 -0.371 6.401 561 HA ILE 95 HA ILE 95 -9.284 -2.847 4.738 562 HB ILE 95 HB ILE 95 -9.315 0.124 4.104 563 HG13 ILE 95 2HG1 ILE 95 -11.479 -1.214 4.463 564 HG21 ILE 95 1HG2 ILE 95 -8.664 -2.187 2.244 565 HG22 ILE 95 2HG2 ILE 95 -8.985 -0.518 1.717 566 HG23 ILE 95 3HG2 ILE 95 -7.564 -0.863 2.692 567 HD11 ILE 95 3HD1 ILE 95 -12.680 -0.339 2.627 568 HD12 ILE 95 1HD1 ILE 95 -11.415 0.840 3.018 569 HD13 ILE 95 2HD1 ILE 95 -11.231 -0.243 1.618 570 H ILE 96 H ILE 96 -7.265 -3.702 4.393 571 HA ILE 96 HA ILE 96 -5.024 -2.402 5.812 572 HB ILE 96 HB ILE 96 -5.347 -5.274 4.899 573 HG13 ILE 96 2HG1 ILE 96 -5.800 -5.933 7.106 574 HG21 ILE 96 1HG2 ILE 96 -3.181 -3.988 6.642 575 HG22 ILE 96 2HG2 ILE 96 -3.355 -5.732 6.307 576 HG23 ILE 96 3HG2 ILE 96 -2.983 -4.586 5.012 577 HD11 ILE 96 3HD1 ILE 96 -5.257 -3.079 7.978 578 HD12 ILE 96 1HD1 ILE 96 -6.085 -4.290 8.976 579 HD13 ILE 96 2HD1 ILE 96 -4.399 -4.545 8.515 580 H PHE 97 H PHE 97 -3.541 -1.420 4.708 581 HA PHE 97 HA PHE 97 -3.163 -1.891 1.782 582 HB3 PHE 97 2HB PHE 97 -1.720 0.216 2.026 583 HD1 PHE 97 1HD PHE 97 -3.503 -0.004 0.173 584 HD2 PHE 97 2HD PHE 97 -4.312 1.514 4.140 585 HE1 PHE 97 1HE PHE 97 -5.556 1.080 -0.673 586 HE2 PHE 97 2HE PHE 97 -6.399 2.595 3.250 587 HZ PHE 97 HZ PHE 97 -7.000 2.394 0.870 588 H ARG 98 H ARG 98 -0.774 -1.610 1.108 589 HA ARG 98 HA ARG 98 1.267 -2.404 3.075 590 HB3 ARG 98 2HB ARG 98 1.863 -3.720 0.574 591 HG3 ARG 98 2HG ARG 98 0.860 -5.733 2.219 592 HD3 ARG 98 2HD ARG 98 2.967 -5.855 1.065 593 HE ARG 98 HE ARG 98 3.634 -3.399 2.255 594 HH11 ARG 98 1HH1 ARG 98 5.167 -6.497 1.421 595 HH12 ARG 98 2HH1 ARG 98 6.774 -5.812 1.318 596 HH21 ARG 98 1HH2 ARG 98 5.753 -2.476 1.848 597 HH22 ARG 98 2HH2 ARG 98 7.061 -3.596 1.525 598 H ILE 99 H ILE 99 2.944 -0.859 2.763 599 HA ILE 99 HA ILE 99 3.296 0.118 -0.036 600 HB ILE 99 HB ILE 99 3.349 1.877 2.462 601 HG13 ILE 99 2HG1 ILE 99 0.960 1.060 1.480 602 HG21 ILE 99 1HG2 ILE 99 3.383 3.712 0.629 603 HG22 ILE 99 2HG2 ILE 99 4.853 2.756 0.829 604 HG23 ILE 99 3HG2 ILE 99 3.715 2.448 -0.502 605 HD11 ILE 99 3HD1 ILE 99 1.577 3.961 1.866 606 HD12 ILE 99 1HD1 ILE 99 -0.029 3.272 1.695 607 HD13 ILE 99 2HD1 ILE 99 0.999 2.821 3.083 608 H ALA 100 H ALA 100 5.409 0.775 -0.591 609 HA ALA 100 HA ALA 100 7.658 0.781 1.165 610 HB1 ALA 100 1HB ALA 100 7.223 -1.660 -0.606 611 HB2 ALA 100 2HB ALA 100 8.839 -1.073 -0.266 612 HB3 ALA 100 3HB ALA 100 7.806 -1.568 1.082 613 H ALA 101 H ALA 101 9.149 2.119 0.253 614 HA ALA 101 HA ALA 101 8.939 3.467 -2.234 615 HB1 ALA 101 1HB ALA 101 11.285 2.955 -0.420 616 HB2 ALA 101 2HB ALA 101 11.284 4.086 -1.796 617 HB3 ALA 101 3HB ALA 101 10.176 4.359 -0.450 618 H ARG 102 H ARG 102 9.626 3.049 -4.274 619 HA ARG 102 HA ARG 102 11.463 0.764 -4.758 620 HB3 ARG 102 2HB ARG 102 10.642 2.343 -7.098 621 HG3 ARG 102 2HG ARG 102 9.616 -0.269 -7.301 622 HD3 ARG 102 2HD ARG 102 12.000 -0.589 -8.422 623 HE ARG 102 HE ARG 102 9.650 0.938 -9.529 624 HH11 ARG 102 1HH1 ARG 102 12.269 -1.378 -10.281 625 HH12 ARG 102 2HH1 ARG 102 11.316 -2.122 -11.539 626 HH21 ARG 102 1HH2 ARG 102 8.723 0.270 -11.315 627 HH22 ARG 102 2HH2 ARG 102 9.269 -1.096 -12.246 628 H ASN 103 H ASN 103 13.241 1.621 -3.818 629 HA ASN 103 HA ASN 103 14.456 3.766 -5.464 630 HB3 ASN 103 2HB ASN 103 14.645 4.129 -2.882 631 HD21 ASN 103 1HD2 ASN 103 17.775 3.532 -2.670 632 HD22 ASN 103 2HD2 ASN 103 17.817 2.001 -1.840 633 H GLU 104 H GLU 104 16.870 3.141 -5.630 634 HA GLU 104 HA GLU 104 17.079 0.942 -7.320 635 HB3 GLU 104 2HB GLU 104 19.552 1.263 -7.061 636 HG3 GLU 104 2HG GLU 104 18.149 3.950 -7.116 637 H LYS 105 H LYS 105 17.187 0.809 -3.856 638 HA LYS 105 HA LYS 105 18.620 -1.770 -3.775 639 HB3 LYS 105 2HB LYS 105 18.111 -1.710 -1.353 640 HG3 LYS 105 2HG LYS 105 19.097 0.831 -1.051 641 HD3 LYS 105 2HD LYS 105 21.403 -0.287 -1.607 642 HE3 LYS 105 2HE LYS 105 20.139 -1.864 0.567 643 HZ1 LYS 105 3HZ LYS 105 22.238 0.229 0.571 644 HZ2 LYS 105 1HZ LYS 105 22.500 -1.382 0.443 645 HZ3 LYS 105 2HZ LYS 105 21.859 -0.734 1.835 646 H GLY 106 H GLY 106 15.221 -0.589 -3.666 647 HA2 GLY 106 1HA GLY 106 13.570 -1.964 -4.724 648 HA3 GLY 106 2HA GLY 106 14.292 -3.404 -3.994 649 H TYR 107 H TYR 107 11.906 -3.606 -3.461 650 HA TYR 107 HA TYR 107 10.814 -2.068 -1.269 651 HB3 TYR 107 2HB TYR 107 8.929 -3.586 -1.510 652 HD1 TYR 107 2HD TYR 107 9.792 -0.985 -2.947 653 HD2 TYR 107 1HD TYR 107 8.459 -4.814 -4.371 654 HE1 TYR 107 2HE TYR 107 8.692 0.114 -4.915 655 HE2 TYR 107 1HE TYR 107 7.461 -3.773 -6.357 656 HH TYR 107 HH TYR 107 7.102 -0.245 -6.735 657 H GLY 108 H GLY 108 12.804 -2.619 0.202 658 HA2 GLY 108 1HA GLY 108 13.036 -5.452 1.007 659 HA3 GLY 108 2HA GLY 108 14.001 -4.102 1.623 660 HA PRO 109 HA PRO 109 11.369 -3.940 5.228 661 HB3 PRO 109 2HB PRO 109 12.613 -2.182 6.036 662 HG3 PRO 109 2HG PRO 109 13.395 -0.466 4.599 663 HD3 PRO 109 2HD PRO 109 14.024 -2.489 3.566 664 H ALA 110 H ALA 110 9.176 -3.112 6.062 665 HA ALA 110 HA ALA 110 7.358 -2.393 3.832 666 HB1 ALA 110 1HB ALA 110 7.151 -4.844 5.643 667 HB2 ALA 110 2HB ALA 110 5.880 -4.286 4.534 668 HB3 ALA 110 3HB ALA 110 7.436 -4.853 3.889 669 H THR 111 H THR 111 5.446 -1.410 4.500 670 HA THR 111 HA THR 111 4.822 -1.399 7.371 671 HB THR 111 HB THR 111 4.820 1.158 5.734 672 HG1 THR 111 1HG THR 111 6.741 -0.056 7.366 673 HG21 THR 111 3HG2 THR 111 4.489 2.213 7.928 674 HG22 THR 111 1HG2 THR 111 4.446 0.623 8.718 675 HG23 THR 111 2HG2 THR 111 3.166 1.092 7.577 676 H GLN 112 H GLN 112 2.949 -2.478 7.326 677 HA GLN 112 HA GLN 112 0.956 -1.908 5.216 678 HB3 GLN 112 2HB GLN 112 1.637 -4.314 5.812 679 HG3 GLN 112 2HG GLN 112 -0.260 -3.787 8.124 680 HE21 GLN 112 1HE2 GLN 112 -0.363 -5.983 5.971 681 HE22 GLN 112 2HE2 GLN 112 -0.197 -7.432 6.906 682 H VAL 113 H VAL 113 -0.864 -0.728 5.819 683 HA VAL 113 HA VAL 113 -1.136 0.042 8.662 684 HB VAL 113 HB VAL 113 -1.806 2.163 7.896 685 HG11 VAL 113 1HG1 VAL 113 0.711 1.547 8.109 686 HG12 VAL 113 2HG1 VAL 113 0.728 1.591 6.334 687 HG13 VAL 113 3HG1 VAL 113 0.321 3.053 7.268 688 HG21 VAL 113 3HG2 VAL 113 -1.232 1.611 5.024 689 HG22 VAL 113 1HG2 VAL 113 -2.856 1.635 5.746 690 HG23 VAL 113 2HG2 VAL 113 -1.851 3.077 5.761 691 H ARG 114 H ARG 114 -3.382 1.051 8.979 692 HA ARG 114 HA ARG 114 -5.483 -0.611 7.717 693 HB3 ARG 114 2HB ARG 114 -5.147 -1.809 9.724 694 HG3 ARG 114 2HG ARG 114 -5.390 -0.578 11.977 695 HD3 ARG 114 2HD ARG 114 -3.178 -1.627 10.636 696 HE ARG 114 HE ARG 114 -2.496 1.073 10.979 697 HH11 ARG 114 1HH1 ARG 114 -1.487 -1.937 12.540 698 HH12 ARG 114 2HH1 ARG 114 0.158 -1.492 12.751 699 HH21 ARG 114 1HH2 ARG 114 -0.093 1.611 11.033 700 HH22 ARG 114 2HH2 ARG 114 0.955 0.464 11.737 701 H TRP 115 H TRP 115 -6.830 0.721 6.772 702 HA TRP 115 HA TRP 115 -7.115 3.519 7.657 703 HB3 TRP 115 2HB TRP 115 -8.502 1.912 5.486 704 HD1 TRP 115 HD TRP 115 -8.327 5.408 7.047 705 HE1 TRP 115 1HE TRP 115 -9.686 7.056 5.638 706 HE3 TRP 115 3HE TRP 115 -9.500 2.315 3.187 707 HZ2 TRP 115 2HZ TRP 115 -11.178 7.003 3.090 708 HZ3 TRP 115 3HZ TRP 115 -10.727 3.210 1.169 709 HH2 TRP 115 HH TRP 115 -11.581 5.547 1.204 710 H LEU 116 H LEU 116 -8.040 3.388 9.685 711 HA LEU 116 HA LEU 116 -10.426 1.736 10.213 712 HB3 LEU 116 2HB LEU 116 -10.392 2.694 12.394 713 HG LEU 116 HG LEU 116 -7.405 2.632 11.819 714 HD11 LEU 116 1HD1 LEU 116 -7.204 2.076 14.144 715 HD12 LEU 116 2HD1 LEU 116 -8.960 1.912 14.314 716 HD13 LEU 116 3HD1 LEU 116 -8.230 3.506 14.006 717 HD21 LEU 116 3HD2 LEU 116 -7.621 0.187 12.747 718 HD22 LEU 116 1HD2 LEU 116 -7.919 0.533 11.065 719 HD23 LEU 116 2HD2 LEU 116 -9.304 0.284 12.163 720 H GLN 117 H GLN 117 -12.472 2.919 10.887 721 HA GLN 117 HA GLN 117 -14.133 4.385 10.548 722 HB3 GLN 117 2HB GLN 117 -12.329 6.743 10.121 723 HG3 GLN 117 2HG GLN 117 -13.506 7.670 12.069 724 HE21 GLN 117 1HE2 GLN 117 -13.888 8.684 9.828 725 HE22 GLN 117 2HE2 GLN 117 -15.526 8.600 9.198 726 H GLU 118 H GLU 118 -12.954 2.926 8.218 727 HA GLU 118 HA GLU 118 -12.777 4.768 6.020 728 HB3 GLU 118 2HB GLU 118 -11.465 2.764 6.390 729 HG3 GLU 118 2HG GLU 118 -12.055 0.786 5.610 730 H THR 119 H THR 119 -15.517 3.391 7.533 731 HA THR 119 HA THR 119 -16.844 2.335 5.320 732 HB THR 119 HB THR 119 -18.205 3.108 7.911 733 HG1 THR 119 1HG THR 119 -16.155 1.198 7.564 734 HG21 THR 119 3HG2 THR 119 -18.287 0.563 6.230 735 HG22 THR 119 1HG2 THR 119 -19.513 1.847 6.212 736 HG23 THR 119 2HG2 THR 119 -19.250 0.895 7.680 737 H SER 120 H SER 120 -16.897 4.081 3.745 738 HA SER 120 HA SER 120 -19.114 6.010 4.134 739 HB3 SER 120 2HB SER 120 -16.229 6.708 3.469 740 HG SER 120 HG SER 120 -17.124 8.877 3.636 741 H LYS 121 H LYS 121 -20.375 5.032 2.622 742 HA LYS 121 HA LYS 121 -21.193 4.478 0.572 743 HB3 LYS 121 2HB LYS 121 -18.874 5.509 -1.002 744 HG3 LYS 121 2HG LYS 121 -21.227 5.029 -1.936 745 HD3 LYS 121 2HD LYS 121 -21.741 7.790 -0.739 746 HE3 LYS 121 2HE LYS 121 -24.016 7.494 -1.543 747 HZ1 LYS 121 3HZ LYS 121 -22.152 8.169 -3.182 748 HZ2 LYS 121 1HZ LYS 121 -23.661 7.830 -3.753 749 HZ3 LYS 121 2HZ LYS 121 -22.446 6.731 -3.900 750 H ASP 122 H ASP 122 -20.069 3.401 -1.696 751 HA ASP 122 HA ASP 122 -19.150 1.642 -2.665 752 HB3 ASP 122 2HB ASP 122 -16.992 0.726 -1.950 753 H SER 123 H SER 123 -21.400 1.327 -1.096 754 HA SER 123 HA SER 123 -21.026 -0.724 0.909 755 HB3 SER 123 2HB SER 123 -22.457 1.111 1.381 756 HG SER 123 HG SER 123 -23.851 0.375 -0.989 757 H SER 124 H SER 124 -20.894 -1.431 -2.164 758 HA SER 124 HA SER 124 -21.635 -2.972 -3.640 759 HB3 SER 124 2HB SER 124 -23.421 -4.344 -1.628 760 HG SER 124 HG SER 124 -21.535 -5.518 -3.350 761 H GLY 125 H GLY 125 -24.049 -3.900 -4.374 762 HA2 GLY 125 1HA GLY 125 -26.426 -2.868 -3.970 763 HA3 GLY 125 2HA GLY 125 -25.692 -1.434 -4.673 764 H THR 126 H THR 126 -24.085 -3.651 -6.452 765 HA THR 126 HA THR 126 -26.266 -4.722 -7.993 766 HB THR 126 HB THR 126 -25.725 -2.377 -8.926 767 HG1 THR 126 1HG THR 126 -25.795 -3.259 -11.118 768 HG21 THR 126 3HG2 THR 126 -23.881 -2.142 -10.444 769 HG22 THR 126 1HG2 THR 126 -23.365 -3.823 -10.195 770 HG23 THR 126 2HG2 THR 126 -23.227 -2.640 -8.877 Start of MODEL 20 1 H1 GLY 1 H GLY 1 11.747 -12.139 14.274 2 HA2 GLY 1 1HA GLY 1 13.474 -9.734 14.367 3 HA3 GLY 1 2HA GLY 1 13.505 -11.011 15.587 4 H CYS 2 H CYS 2 15.506 -9.932 13.466 5 HA CYS 2 HA CYS 2 17.137 -10.610 12.146 6 HB3 CYS 2 2HB CYS 2 16.093 -13.430 11.901 7 HG CYS 2 HG CYS 2 19.214 -12.507 12.095 8 H LEU 3 H LEU 3 16.335 -9.162 10.685 9 HA LEU 3 HA LEU 3 14.957 -10.179 8.386 10 HB3 LEU 3 2HB LEU 3 13.002 -9.680 9.649 11 HG LEU 3 HG LEU 3 12.264 -7.427 10.231 12 HD11 LEU 3 1HD1 LEU 3 14.501 -8.315 12.062 13 HD12 LEU 3 2HD1 LEU 3 12.870 -9.027 11.994 14 HD13 LEU 3 3HD1 LEU 3 13.098 -7.333 12.471 15 HD21 LEU 3 3HD2 LEU 3 13.712 -5.612 10.745 16 HD22 LEU 3 1HD2 LEU 3 14.033 -6.121 9.079 17 HD23 LEU 3 2HD2 LEU 3 15.161 -6.560 10.386 18 HA PRO 4 HA PRO 4 17.799 -7.661 6.495 19 HB3 PRO 4 2HB PRO 4 16.966 -8.449 4.485 20 HG3 PRO 4 2HG PRO 4 14.596 -8.309 3.985 21 HD3 PRO 4 2HD PRO 4 14.994 -9.633 5.949 22 H GLY 5 H GLY 5 18.342 -5.475 5.398 23 HA2 GLY 5 1HA GLY 5 16.886 -3.206 6.652 24 HA3 GLY 5 2HA GLY 5 18.626 -3.420 6.899 25 H PHE 6 H PHE 6 16.106 -2.683 4.525 26 HA PHE 6 HA PHE 6 18.184 -1.777 2.587 27 HB3 PHE 6 2HB PHE 6 15.797 -2.161 1.184 28 HD1 PHE 6 1HD PHE 6 18.942 -3.968 2.152 29 HD2 PHE 6 2HD PHE 6 16.034 -3.182 -0.935 30 HE1 PHE 6 1HE PHE 6 20.414 -5.036 0.482 31 HE2 PHE 6 2HE PHE 6 17.511 -4.279 -2.596 32 HZ PHE 6 HZ PHE 6 19.675 -5.265 -1.878 33 HA PRO 7 HA PRO 7 16.300 2.203 3.019 34 HB3 PRO 7 2HB PRO 7 17.839 3.021 1.507 35 HG3 PRO 7 2HG PRO 7 18.391 1.803 -0.482 36 HD3 PRO 7 2HD PRO 7 18.744 0.292 1.319 37 H GLY 8 H GLY 8 14.122 2.266 3.528 38 HA2 GLY 8 1HA GLY 8 12.021 2.659 1.811 39 HA3 GLY 8 2HA GLY 8 12.125 0.893 1.977 40 H ALA 9 H ALA 9 10.079 1.001 3.047 41 HA ALA 9 HA ALA 9 8.537 1.225 4.617 42 HB1 ALA 9 1HB ALA 9 10.047 0.064 6.093 43 HB2 ALA 9 2HB ALA 9 10.674 1.629 6.686 44 HB3 ALA 9 3HB ALA 9 8.964 1.209 6.916 45 HA PRO 10 HA PRO 10 8.475 5.824 4.246 46 HB3 PRO 10 2HB PRO 10 7.413 5.727 2.179 47 HG3 PRO 10 2HG PRO 10 6.217 3.798 1.517 48 HD3 PRO 10 2HD PRO 10 8.302 2.979 2.209 49 H CYS 11 H CYS 11 6.822 7.303 5.265 50 HA CYS 11 HA CYS 11 5.378 6.066 7.534 51 HB3 CYS 11 2HB CYS 11 6.475 7.951 8.928 52 HG CYS 11 HG CYS 11 8.122 5.407 7.604 53 H ALA 12 H ALA 12 4.582 8.165 8.845 54 HA ALA 12 HA ALA 12 2.786 9.470 9.116 55 HB1 ALA 12 1HB ALA 12 3.041 11.650 8.123 56 HB2 ALA 12 2HB ALA 12 4.644 10.969 8.427 57 HB3 ALA 12 3HB ALA 12 3.974 10.973 6.776 58 H ILE 13 H ILE 13 2.206 7.267 7.151 59 HA ILE 13 HA ILE 13 0.856 8.276 4.951 60 HB ILE 13 HB ILE 13 0.557 5.571 6.311 61 HG13 ILE 13 2HG1 ILE 13 2.600 6.838 4.533 62 HG21 ILE 13 1HG2 ILE 13 -1.314 5.918 4.741 63 HG22 ILE 13 2HG2 ILE 13 -0.170 6.384 3.460 64 HG23 ILE 13 3HG2 ILE 13 -0.165 4.742 4.102 65 HD11 ILE 13 3HD1 ILE 13 2.783 4.233 6.085 66 HD12 ILE 13 1HD1 ILE 13 4.084 5.171 5.373 67 HD13 ILE 13 2HD1 ILE 13 3.175 5.811 6.762 68 H LYS 14 H LYS 14 -1.244 8.863 4.488 69 HA LYS 14 HA LYS 14 -3.256 8.736 6.698 70 HB3 LYS 14 2HB LYS 14 -4.250 10.833 5.583 71 HG3 LYS 14 2HG LYS 14 -2.280 12.325 6.641 72 HD3 LYS 14 2HD LYS 14 -3.161 11.564 8.989 73 HE3 LYS 14 2HE LYS 14 -4.857 12.745 6.754 74 HZ1 LYS 14 3HZ LYS 14 -6.210 13.623 8.617 75 HZ2 LYS 14 1HZ LYS 14 -5.569 12.475 9.606 76 HZ3 LYS 14 2HZ LYS 14 -6.439 12.016 8.293 77 H ILE 15 H ILE 15 -5.393 8.391 6.035 78 HA ILE 15 HA ILE 15 -5.965 7.654 3.291 79 HB ILE 15 HB ILE 15 -6.482 5.648 5.522 80 HG13 ILE 15 2HG1 ILE 15 -4.033 5.849 5.153 81 HG21 ILE 15 1HG2 ILE 15 -7.965 5.615 3.445 82 HG22 ILE 15 2HG2 ILE 15 -6.498 5.305 2.486 83 HG23 ILE 15 3HG2 ILE 15 -7.059 4.135 3.669 84 HD11 ILE 15 3HD1 ILE 15 -5.088 3.244 4.070 85 HD12 ILE 15 1HD1 ILE 15 -3.474 3.568 4.661 86 HD13 ILE 15 2HD1 ILE 15 -4.821 3.669 5.795 87 H SER 16 H SER 16 -8.076 8.009 2.914 88 HA SER 16 HA SER 16 -10.085 8.026 4.978 89 HB3 SER 16 2HB SER 16 -9.407 10.344 5.205 90 HG SER 16 HG SER 16 -8.793 11.504 3.614 91 H LYS 17 H LYS 17 -12.339 8.464 3.786 92 HA LYS 17 HA LYS 17 -12.217 7.070 1.154 93 HB3 LYS 17 2HB LYS 17 -14.843 7.647 2.477 94 HG3 LYS 17 2HG LYS 17 -13.552 5.166 1.232 95 HD3 LYS 17 2HD LYS 17 -16.424 5.644 2.090 96 HE3 LYS 17 2HE LYS 17 -16.738 3.254 1.917 97 HZ1 LYS 17 3HZ LYS 17 -16.698 2.993 -0.382 98 HZ2 LYS 17 1HZ LYS 17 -15.417 3.971 -0.636 99 HZ3 LYS 17 2HZ LYS 17 -16.833 4.615 -0.222 100 H SER 18 H SER 18 -13.559 7.936 -0.585 101 HA SER 18 HA SER 18 -14.522 10.689 -0.435 102 HB3 SER 18 2HB SER 18 -13.237 10.845 -2.791 103 HG SER 18 HG SER 18 -11.383 11.631 -1.624 104 HA PRO 19 HA PRO 19 -17.546 8.944 -3.274 105 HB3 PRO 19 2HB PRO 19 -18.630 10.994 -3.225 106 HG3 PRO 19 2HG PRO 19 -17.413 13.044 -3.319 107 HD3 PRO 19 2HD PRO 19 -16.391 11.933 -1.528 108 H ASP 20 H ASP 20 -14.376 9.706 -4.160 109 HA ASP 20 HA ASP 20 -14.646 8.506 -6.855 110 HB3 ASP 20 2HB ASP 20 -12.893 10.899 -6.165 111 H GLY 21 H GLY 21 -13.900 7.312 -4.205 112 HA2 GLY 21 1HA GLY 21 -12.360 5.376 -4.468 113 HA3 GLY 21 2HA GLY 21 -11.093 6.549 -4.849 114 H ALA 22 H ALA 22 -9.813 5.596 -3.014 115 HA ALA 22 HA ALA 22 -10.670 7.017 -0.526 116 HB1 ALA 22 1HB ALA 22 -8.941 4.513 -0.686 117 HB2 ALA 22 2HB ALA 22 -9.151 5.514 0.746 118 HB3 ALA 22 3HB ALA 22 -10.545 4.678 0.044 119 H HIS 23 H HIS 23 -9.009 8.180 0.490 120 HA HIS 23 HA HIS 23 -7.290 9.589 -1.473 121 HB3 HIS 23 2HB HIS 23 -7.500 11.128 0.852 122 HD1 HIS 23 1HD HIS 23 -9.237 13.375 0.398 123 HD2 HIS 23 2HD HIS 23 -8.967 10.415 -2.618 124 HE1 HIS 23 1HE HIS 23 -10.162 14.401 -1.698 125 H LEU 24 H LEU 24 -5.343 8.619 -1.512 126 HA LEU 24 HA LEU 24 -4.204 7.403 0.904 127 HB3 LEU 24 2HB LEU 24 -3.009 6.372 -1.394 128 HG LEU 24 HG LEU 24 -4.578 4.537 -1.314 129 HD11 LEU 24 1HD1 LEU 24 -4.284 3.808 1.053 130 HD12 LEU 24 2HD1 LEU 24 -3.577 5.410 1.385 131 HD13 LEU 24 3HD1 LEU 24 -2.817 4.323 0.200 132 HD21 LEU 24 3HD2 LEU 24 -6.633 5.595 -1.064 133 HD22 LEU 24 1HD2 LEU 24 -6.239 6.185 0.557 134 HD23 LEU 24 2HD2 LEU 24 -6.453 4.436 0.256 135 H THR 25 H THR 25 -2.223 8.356 1.747 136 HA THR 25 HA THR 25 -0.351 9.598 -0.172 137 HB THR 25 HB THR 25 -2.003 11.296 0.223 138 HG1 THR 25 1HG THR 25 -0.765 12.907 0.825 139 HG21 THR 25 3HG2 THR 25 -2.498 12.283 2.372 140 HG22 THR 25 1HG2 THR 25 -1.409 11.126 3.152 141 HG23 THR 25 2HG2 THR 25 -2.927 10.585 2.389 142 H TRP 26 H TRP 26 1.664 10.203 0.703 143 HA TRP 26 HA TRP 26 2.521 9.172 3.367 144 HB3 TRP 26 2HB TRP 26 2.717 7.141 2.375 145 HD1 TRP 26 HD TRP 26 5.065 8.162 -0.431 146 HE1 TRP 26 1HE TRP 26 4.090 7.425 -2.668 147 HE3 TRP 26 3HE TRP 26 0.469 6.683 1.194 148 HZ2 TRP 26 2HZ TRP 26 1.452 6.537 -3.674 149 HZ3 TRP 26 3HZ TRP 26 -1.243 5.927 -0.381 150 HH2 TRP 26 HH TRP 26 -0.807 5.959 -2.843 151 H GLU 27 H GLU 27 5.176 9.188 3.342 152 HA GLU 27 HA GLU 27 5.863 11.985 2.694 153 HB3 GLU 27 2HB GLU 27 5.315 11.257 5.051 154 HG3 GLU 27 2HG GLU 27 6.996 9.201 4.952 155 HA PRO 28 HA PRO 28 9.493 10.883 0.470 156 HB3 PRO 28 2HB PRO 28 9.842 13.188 0.308 157 HG3 PRO 28 2HG PRO 28 9.689 14.587 2.253 158 HD3 PRO 28 2HD PRO 28 7.640 13.465 1.944 159 HA PRO 29 HA PRO 29 12.493 8.616 3.040 160 HB3 PRO 29 2HB PRO 29 14.084 7.939 1.543 161 HG3 PRO 29 2HG PRO 29 13.308 8.718 -0.453 162 HD3 PRO 29 2HD PRO 29 11.734 10.453 -0.404 163 H SER 30 H SER 30 12.546 9.568 5.077 164 HA SER 30 HA SER 30 14.248 11.985 5.434 165 HB3 SER 30 2HB SER 30 13.076 12.194 7.594 166 HG SER 30 HG SER 30 10.899 11.832 5.838 167 H VAL 31 H VAL 31 14.799 9.065 5.019 168 HA VAL 31 HA VAL 31 16.335 8.352 7.418 169 HB VAL 31 HB VAL 31 16.443 6.063 6.239 170 HG11 VAL 31 1HG1 VAL 31 14.264 5.472 7.252 171 HG12 VAL 31 2HG1 VAL 31 15.192 6.552 8.292 172 HG13 VAL 31 3HG1 VAL 31 13.830 7.187 7.346 173 HG21 VAL 31 3HG2 VAL 31 13.924 7.104 4.849 174 HG22 VAL 31 1HG2 VAL 31 15.455 6.807 3.998 175 HG23 VAL 31 2HG2 VAL 31 14.606 5.478 4.785 176 H THR 32 H THR 32 17.092 7.446 4.015 177 HA THR 32 HA THR 32 19.561 9.062 4.241 178 HB THR 32 HB THR 32 20.774 7.358 2.924 179 HG1 THR 32 1HG THR 32 18.448 6.129 2.650 180 HG21 THR 32 3HG2 THR 32 21.276 5.871 4.789 181 HG22 THR 32 1HG2 THR 32 19.745 6.288 5.578 182 HG23 THR 32 2HG2 THR 32 21.016 7.507 5.397 183 H SER 33 H SER 33 20.438 9.613 2.042 184 HA SER 33 HA SER 33 18.503 10.972 0.585 185 HB3 SER 33 2HB SER 33 20.308 11.603 -0.862 186 HG SER 33 HG SER 33 20.611 12.303 1.255 187 H GLY 34 H GLY 34 20.314 8.015 -0.590 188 HA2 GLY 34 1HA GLY 34 19.626 6.314 -1.921 189 HA3 GLY 34 2HA GLY 34 17.942 6.795 -1.630 190 H LYS 35 H LYS 35 18.086 6.056 -3.985 191 HA LYS 35 HA LYS 35 17.902 8.583 -5.561 192 HB3 LYS 35 2HB LYS 35 18.438 7.130 -7.606 193 HG3 LYS 35 2HG LYS 35 20.827 7.576 -5.794 194 HD3 LYS 35 2HD LYS 35 20.897 6.565 -8.198 195 HE3 LYS 35 2HE LYS 35 20.821 9.455 -9.090 196 HZ1 LYS 35 3HZ LYS 35 19.690 7.087 -10.428 197 HZ2 LYS 35 1HZ LYS 35 21.259 7.566 -10.638 198 HZ3 LYS 35 2HZ LYS 35 20.010 8.541 -11.078 199 H ILE 36 H ILE 36 15.699 8.565 -4.908 200 HA ILE 36 HA ILE 36 14.108 6.181 -5.622 201 HB ILE 36 HB ILE 36 13.438 8.735 -4.146 202 HG13 ILE 36 2HG1 ILE 36 13.306 5.725 -3.530 203 HG21 ILE 36 1HG2 ILE 36 11.454 6.616 -5.080 204 HG22 ILE 36 2HG2 ILE 36 11.099 7.947 -3.962 205 HG23 ILE 36 3HG2 ILE 36 11.505 8.307 -5.642 206 HD11 ILE 36 3HD1 ILE 36 15.530 6.486 -2.956 207 HD12 ILE 36 1HD1 ILE 36 14.898 7.962 -2.185 208 HD13 ILE 36 2HD1 ILE 36 14.583 6.363 -1.475 209 H ILE 37 H ILE 37 12.644 6.132 -7.251 210 HA ILE 37 HA ILE 37 12.763 8.273 -9.327 211 HB ILE 37 HB ILE 37 12.810 6.328 -10.974 212 HG13 ILE 37 2HG1 ILE 37 12.301 4.543 -9.219 213 HG21 ILE 37 1HG2 ILE 37 15.312 6.153 -10.867 214 HG22 ILE 37 2HG2 ILE 37 14.718 7.796 -10.630 215 HG23 ILE 37 3HG2 ILE 37 15.254 6.856 -9.232 216 HD11 ILE 37 3HD1 ILE 37 13.012 3.705 -11.349 217 HD12 ILE 37 1HD1 ILE 37 14.715 4.114 -11.023 218 HD13 ILE 37 2HD1 ILE 37 13.942 2.832 -10.097 219 H GLU 38 H GLU 38 10.840 5.931 -7.519 220 HA GLU 38 HA GLU 38 8.371 6.849 -8.516 221 HB3 GLU 38 2HB GLU 38 9.068 3.985 -9.275 222 HG3 GLU 38 2HG GLU 38 6.636 4.979 -9.182 223 H TYR 39 H TYR 39 6.722 4.864 -7.494 224 HA TYR 39 HA TYR 39 7.937 3.740 -5.041 225 HB3 TYR 39 2HB TYR 39 5.897 4.438 -3.815 226 HD1 TYR 39 2HD TYR 39 6.974 7.377 -5.849 227 HD2 TYR 39 1HD TYR 39 7.200 5.264 -2.099 228 HE1 TYR 39 2HE TYR 39 7.895 9.404 -4.773 229 HE2 TYR 39 1HE TYR 39 8.197 7.246 -1.020 230 HH TYR 39 HH TYR 39 8.180 10.393 -2.606 231 H SER 40 H SER 40 5.685 2.594 -4.027 232 HA SER 40 HA SER 40 4.012 1.307 -6.053 233 HB3 SER 40 2HB SER 40 4.261 -0.876 -4.633 234 HG SER 40 HG SER 40 5.028 -0.658 -6.778 235 H VAL 41 H VAL 41 2.141 0.457 -5.177 236 HA VAL 41 HA VAL 41 1.527 0.769 -2.342 237 HB VAL 41 HB VAL 41 -0.302 1.793 -4.531 238 HG11 VAL 41 1HG1 VAL 41 -1.328 0.885 -2.327 239 HG12 VAL 41 2HG1 VAL 41 -0.487 2.182 -1.488 240 HG13 VAL 41 3HG1 VAL 41 -1.730 2.575 -2.692 241 HG21 VAL 41 3HG2 VAL 41 1.513 3.403 -4.311 242 HG22 VAL 41 1HG2 VAL 41 -0.018 4.045 -3.756 243 HG23 VAL 41 2HG2 VAL 41 1.202 3.532 -2.563 244 H TYR 42 H TYR 42 0.751 -1.329 -1.870 245 HA TYR 42 HA TYR 42 -0.635 -2.808 -4.052 246 HB3 TYR 42 2HB TYR 42 0.076 -4.896 -2.975 247 HD1 TYR 42 1HD TYR 42 0.635 -5.290 -5.316 248 HD2 TYR 42 2HD TYR 42 3.212 -3.029 -2.712 249 HE1 TYR 42 1HE TYR 42 2.453 -5.462 -6.994 250 HE2 TYR 42 2HE TYR 42 5.063 -3.201 -4.411 251 HH TYR 42 HH TYR 42 4.523 -4.618 -7.636 252 H LEU 43 H LEU 43 -2.374 -4.014 -3.430 253 HA LEU 43 HA LEU 43 -3.654 -3.442 -0.803 254 HB3 LEU 43 2HB LEU 43 -4.744 -3.097 -3.635 255 HG LEU 43 HG LEU 43 -6.555 -4.070 -2.275 256 HD11 LEU 43 1HD1 LEU 43 -5.849 -3.485 -0.017 257 HD12 LEU 43 2HD1 LEU 43 -7.412 -2.742 -0.319 258 HD13 LEU 43 3HD1 LEU 43 -5.936 -1.751 -0.378 259 HD21 LEU 43 3HD2 LEU 43 -8.201 -2.260 -2.545 260 HD22 LEU 43 1HD2 LEU 43 -7.110 -2.309 -3.929 261 HD23 LEU 43 2HD2 LEU 43 -6.913 -1.067 -2.661 262 H ALA 44 H ALA 44 -3.991 -5.443 0.083 263 HA ALA 44 HA ALA 44 -3.849 -7.871 -1.310 264 HB1 ALA 44 1HB ALA 44 -3.583 -7.620 1.154 265 HB2 ALA 44 2HB ALA 44 -5.330 -7.292 1.296 266 HB3 ALA 44 3HB ALA 44 -4.761 -8.883 0.746 267 H ILE 45 H ILE 45 -5.445 -9.501 -1.778 268 HA ILE 45 HA ILE 45 -8.142 -8.513 -2.473 269 HB ILE 45 HB ILE 45 -7.807 -9.327 -4.817 270 HG13 ILE 45 2HG1 ILE 45 -5.728 -10.709 -4.297 271 HG21 ILE 45 1HG2 ILE 45 -6.034 -6.983 -4.117 272 HG22 ILE 45 2HG2 ILE 45 -6.843 -7.308 -5.650 273 HG23 ILE 45 3HG2 ILE 45 -7.798 -6.926 -4.223 274 HD11 ILE 45 3HD1 ILE 45 -4.675 -10.374 -6.434 275 HD12 ILE 45 1HD1 ILE 45 -6.438 -10.201 -6.621 276 HD13 ILE 45 2HD1 ILE 45 -5.402 -8.764 -6.594 277 H GLN 46 H GLN 46 -9.368 -10.198 -3.591 278 HA GLN 46 HA GLN 46 -9.209 -12.944 -2.562 279 HB3 GLN 46 2HB GLN 46 -10.927 -13.205 -4.478 280 HG3 GLN 46 2HG GLN 46 -11.420 -10.987 -2.427 281 HE21 GLN 46 1HE2 GLN 46 -13.668 -13.525 -3.369 282 HE22 GLN 46 2HE2 GLN 46 -14.783 -12.508 -4.272 283 H SER 47 H SER 47 -8.567 -14.760 -3.879 284 HA SER 47 HA SER 47 -7.527 -16.005 -5.376 285 HB3 SER 47 2HB SER 47 -7.414 -13.632 -7.238 286 HG SER 47 HG SER 47 -7.980 -16.348 -7.885 287 H SER 48 H SER 48 -5.374 -15.827 -6.973 288 HA SER 48 HA SER 48 -3.219 -14.917 -5.160 289 HB3 SER 48 2HB SER 48 -3.456 -17.295 -5.148 290 HG SER 48 HG SER 48 -3.748 -18.480 -6.887 291 H GLN 49 H GLN 49 -1.012 -14.592 -6.432 292 HA GLN 49 HA GLN 49 -1.111 -13.822 -9.168 293 HB3 GLN 49 2HB GLN 49 -0.576 -11.434 -7.408 294 HG3 GLN 49 2HG GLN 49 -2.036 -11.806 -10.071 295 HE21 GLN 49 1HE2 GLN 49 -3.691 -10.277 -9.093 296 HE22 GLN 49 2HE2 GLN 49 -3.309 -8.568 -9.230 297 H ALA 50 H ALA 50 1.049 -12.370 -9.471 298 HA ALA 50 HA ALA 50 3.304 -13.938 -8.680 299 HB1 ALA 50 1HB ALA 50 4.545 -12.056 -9.806 300 HB2 ALA 50 2HB ALA 50 3.230 -12.722 -10.798 301 HB3 ALA 50 3HB ALA 50 3.011 -11.183 -9.950 302 H SER 51 H SER 51 5.246 -13.012 -7.543 303 HA SER 51 HA SER 51 5.165 -10.813 -5.790 304 HB3 SER 51 2HB SER 51 5.665 -12.633 -3.859 305 HG SER 51 HG SER 51 3.039 -12.321 -3.829 306 H GLY 52 H GLY 52 7.262 -10.320 -5.483 307 HA2 GLY 52 1HA GLY 52 9.256 -12.228 -4.825 308 HA3 GLY 52 2HA GLY 52 9.503 -11.769 -6.509 309 H GLU 53 H GLU 53 9.584 -10.780 -3.226 310 HA GLU 53 HA GLU 53 10.036 -7.985 -3.439 311 HB3 GLU 53 2HB GLU 53 11.286 -8.725 -1.048 312 HG3 GLU 53 2HG GLU 53 9.301 -7.261 -1.088 313 HA PRO 54 HA PRO 54 14.202 -7.300 -4.524 314 HB3 PRO 54 2HB PRO 54 13.954 -5.117 -3.942 315 HG3 PRO 54 2HG PRO 54 12.737 -4.488 -1.996 316 HD3 PRO 54 2HD PRO 54 11.314 -5.929 -3.201 317 H LYS 55 H LYS 55 15.131 -9.239 -4.374 318 HA LYS 55 HA LYS 55 16.491 -10.893 -3.754 319 HB3 LYS 55 2HB LYS 55 18.440 -10.497 -2.424 320 HG3 LYS 55 2HG LYS 55 17.830 -7.760 -3.614 321 HD3 LYS 55 2HD LYS 55 19.968 -8.278 -2.292 322 HE3 LYS 55 2HE LYS 55 20.453 -10.496 -3.473 323 HZ1 LYS 55 3HZ LYS 55 21.355 -8.687 -5.663 324 HZ2 LYS 55 1HZ LYS 55 20.154 -9.788 -5.806 325 HZ3 LYS 55 2HZ LYS 55 21.680 -10.288 -5.528 326 H SER 56 H SER 56 13.921 -10.741 -2.683 327 HA SER 56 HA SER 56 13.407 -11.403 -0.092 328 HB3 SER 56 2HB SER 56 12.299 -12.771 -2.585 329 HG SER 56 HG SER 56 11.021 -12.113 -0.099 330 H SER 57 H SER 57 13.803 -14.068 -2.541 331 HA SER 57 HA SER 57 14.889 -15.971 -2.524 332 HB3 SER 57 2HB SER 57 16.979 -16.184 -1.603 333 HG SER 57 HG SER 57 16.670 -13.402 -1.220 334 H THR 58 H THR 58 12.459 -15.423 -0.630 335 HA THR 58 HA THR 58 12.809 -17.744 1.171 336 HB THR 58 HB THR 58 13.458 -15.683 2.330 337 HG1 THR 58 1HG THR 58 10.954 -16.624 3.259 338 HG21 THR 58 3HG2 THR 58 11.825 -13.916 2.885 339 HG22 THR 58 1HG2 THR 58 10.656 -14.650 1.766 340 HG23 THR 58 2HG2 THR 58 12.172 -13.975 1.160 341 HA PRO 59 HA PRO 59 8.772 -18.584 -0.449 342 HB3 PRO 59 2HB PRO 59 9.326 -20.725 0.359 343 HG3 PRO 59 2HG PRO 59 9.981 -21.074 2.645 344 HD3 PRO 59 2HD PRO 59 11.570 -19.688 1.610 345 H ALA 60 H ALA 60 6.332 -19.031 0.576 346 HA ALA 60 HA ALA 60 4.460 -18.200 1.481 347 HB1 ALA 60 1HB ALA 60 5.733 -18.820 3.599 348 HB2 ALA 60 2HB ALA 60 6.165 -17.102 3.729 349 HB3 ALA 60 3HB ALA 60 4.467 -17.589 3.782 350 H GLN 61 H GLN 61 5.640 -16.655 -0.482 351 HA GLN 61 HA GLN 61 5.479 -13.840 0.225 352 HB3 GLN 61 2HB GLN 61 6.138 -13.426 -1.975 353 HG3 GLN 61 2HG GLN 61 7.339 -16.196 -1.514 354 HE21 GLN 61 1HE2 GLN 61 9.563 -13.572 -1.790 355 HE22 GLN 61 2HE2 GLN 61 9.968 -13.921 -3.455 356 H LEU 62 H LEU 62 3.905 -12.498 -1.286 357 HA LEU 62 HA LEU 62 1.274 -13.479 -0.374 358 HB3 LEU 62 2HB LEU 62 0.744 -11.345 0.233 359 HG LEU 62 HG LEU 62 3.781 -11.103 0.285 360 HD11 LEU 62 1HD1 LEU 62 1.849 -9.564 2.010 361 HD12 LEU 62 2HD1 LEU 62 2.384 -8.954 0.410 362 HD13 LEU 62 3HD1 LEU 62 3.546 -9.262 1.687 363 HD21 LEU 62 3HD2 LEU 62 3.524 -11.687 2.701 364 HD22 LEU 62 1HD2 LEU 62 2.997 -13.022 1.666 365 HD23 LEU 62 2HD2 LEU 62 1.793 -11.983 2.437 366 H ALA 63 H ALA 63 -0.502 -11.812 -1.662 367 HA ALA 63 HA ALA 63 0.072 -11.761 -4.539 368 HB1 ALA 63 1HB ALA 63 -2.090 -12.959 -5.035 369 HB2 ALA 63 2HB ALA 63 -0.779 -14.011 -4.424 370 HB3 ALA 63 3HB ALA 63 -2.121 -13.515 -3.361 371 H PHE 64 H PHE 64 -0.134 -9.478 -4.263 372 HA PHE 64 HA PHE 64 -2.860 -8.483 -3.512 373 HB3 PHE 64 2HB PHE 64 -1.691 -6.437 -2.774 374 HD1 PHE 64 2HD PHE 64 -2.403 -9.568 -1.525 375 HD2 PHE 64 1HD PHE 64 0.277 -6.287 -0.795 376 HE1 PHE 64 2HE PHE 64 -1.954 -10.461 0.680 377 HE2 PHE 64 1HE PHE 64 0.696 -7.189 1.473 378 HZ PHE 64 HZ PHE 64 -0.320 -9.339 2.146 379 H MET 65 H MET 65 -3.545 -6.517 -4.623 380 HA MET 65 HA MET 65 -2.736 -6.534 -7.480 381 HB3 MET 65 2HB MET 65 -5.091 -5.342 -5.967 382 HG3 MET 65 2HG MET 65 -4.200 -4.944 -8.831 383 HE1 MET 65 3HE MET 65 -7.314 -4.619 -6.495 384 HE2 MET 65 1HE MET 65 -8.670 -4.731 -7.642 385 HE3 MET 65 2HE MET 65 -7.751 -6.183 -7.231 386 H ARG 66 H ARG 66 -1.990 -4.677 -8.498 387 HA ARG 66 HA ARG 66 -0.652 -2.703 -6.788 388 HB3 ARG 66 2HB ARG 66 0.676 -3.656 -8.570 389 HG3 ARG 66 2HG ARG 66 -0.352 -2.369 -10.903 390 HD3 ARG 66 2HD ARG 66 -0.558 -5.339 -10.293 391 HE ARG 66 HE ARG 66 -1.314 -5.098 -12.453 392 HH11 ARG 66 1HH1 ARG 66 1.832 -3.442 -12.149 393 HH12 ARG 66 2HH1 ARG 66 1.968 -3.115 -13.839 394 HH21 ARG 66 1HH2 ARG 66 -1.259 -4.248 -14.594 395 HH22 ARG 66 2HH2 ARG 66 0.215 -3.710 -15.298 396 H VAL 67 H VAL 67 -2.239 -1.541 -5.989 397 HA VAL 67 HA VAL 67 -4.115 0.045 -7.573 398 HB VAL 67 HB VAL 67 -4.351 1.308 -5.299 399 HG11 VAL 67 1HG1 VAL 67 -5.921 -0.329 -6.135 400 HG12 VAL 67 2HG1 VAL 67 -4.921 -1.678 -5.548 401 HG13 VAL 67 3HG1 VAL 67 -5.671 -0.542 -4.403 402 HG21 VAL 67 3HG2 VAL 67 -2.118 0.482 -4.444 403 HG22 VAL 67 1HG2 VAL 67 -3.494 0.281 -3.343 404 HG23 VAL 67 2HG2 VAL 67 -2.849 -1.117 -4.224 405 H TYR 68 H TYR 68 -0.881 0.170 -7.577 406 HA TYR 68 HA TYR 68 -0.605 3.090 -7.716 407 HB3 TYR 68 2HB TYR 68 1.494 0.920 -7.719 408 HD1 TYR 68 1HD TYR 68 0.923 4.357 -6.308 409 HD2 TYR 68 2HD TYR 68 3.389 1.894 -8.875 410 HE1 TYR 68 1HE TYR 68 2.540 6.168 -6.494 411 HE2 TYR 68 2HE TYR 68 4.949 3.739 -9.142 412 HH TYR 68 HH TYR 68 4.572 6.805 -8.509 413 H CYS 69 H CYS 69 1.503 3.032 -9.683 414 HA CYS 69 HA CYS 69 1.590 3.797 -11.776 415 HB3 CYS 69 2HB CYS 69 0.518 2.575 -13.627 416 HG CYS 69 HG CYS 69 1.750 0.311 -13.636 417 H GLY 70 H GLY 70 -0.091 4.997 -9.907 418 HA2 GLY 70 1HA GLY 70 -2.420 6.125 -11.292 419 HA3 GLY 70 2HA GLY 70 -1.625 6.726 -9.806 420 HA PRO 71 HA PRO 71 -0.078 9.295 -13.424 421 HB3 PRO 71 2HB PRO 71 -1.953 10.610 -13.678 422 HG3 PRO 71 2HG PRO 71 -3.506 10.907 -11.915 423 HD3 PRO 71 2HD PRO 71 -3.291 8.570 -11.937 424 H SER 72 H SER 72 -0.173 9.508 -9.856 425 HA SER 72 HA SER 72 2.547 10.579 -9.763 426 HB3 SER 72 2HB SER 72 1.955 12.612 -9.019 427 HG SER 72 HG SER 72 -0.784 12.325 -9.054 428 HA PRO 73 HA PRO 73 2.371 8.160 -5.850 429 HB3 PRO 73 2HB PRO 73 4.652 8.566 -5.582 430 HG3 PRO 73 2HG PRO 73 5.597 10.684 -6.098 431 HD3 PRO 73 2HD PRO 73 4.499 10.171 -8.099 432 H SER 74 H SER 74 1.599 8.553 -3.590 433 HA SER 74 HA SER 74 -0.113 9.147 -2.302 434 HB3 SER 74 2HB SER 74 -0.101 11.530 -1.578 435 HG SER 74 HG SER 74 2.573 11.062 -1.660 436 H CYS 75 H CYS 75 -0.936 8.643 -4.969 437 HA CYS 75 HA CYS 75 -3.187 10.518 -5.389 438 HB3 CYS 75 2HB CYS 75 -3.692 8.880 -7.293 439 HG CYS 75 HG CYS 75 -2.545 11.402 -7.377 440 H LEU 76 H LEU 76 -5.214 9.679 -5.642 441 HA LEU 76 HA LEU 76 -6.297 8.059 -3.600 442 HB3 LEU 76 2HB LEU 76 -7.574 9.914 -4.471 443 HG LEU 76 HG LEU 76 -6.826 8.757 -7.122 444 HD11 LEU 76 1HD1 LEU 76 -9.230 8.270 -7.154 445 HD12 LEU 76 2HD1 LEU 76 -8.779 9.529 -8.312 446 HD13 LEU 76 3HD1 LEU 76 -9.584 9.977 -6.797 447 HD21 LEU 76 3HD2 LEU 76 -7.729 11.569 -6.364 448 HD22 LEU 76 1HD2 LEU 76 -6.841 11.065 -7.815 449 HD23 LEU 76 2HD2 LEU 76 -6.052 11.033 -6.235 450 H VAL 77 H VAL 77 -8.090 6.369 -4.259 451 HA VAL 77 HA VAL 77 -7.014 4.456 -6.249 452 HB VAL 77 HB VAL 77 -6.166 4.075 -3.975 453 HG11 VAL 77 1HG1 VAL 77 -8.841 2.984 -3.231 454 HG12 VAL 77 2HG1 VAL 77 -7.304 2.886 -2.336 455 HG13 VAL 77 3HG1 VAL 77 -8.066 4.475 -2.621 456 HG21 VAL 77 3HG2 VAL 77 -7.846 1.809 -5.174 457 HG22 VAL 77 1HG2 VAL 77 -6.269 2.327 -5.808 458 HG23 VAL 77 2HG2 VAL 77 -6.393 1.619 -4.173 459 H GLN 78 H GLN 78 -8.508 3.854 -7.687 460 HA GLN 78 HA GLN 78 -11.162 4.647 -7.621 461 HB3 GLN 78 2HB GLN 78 -11.535 2.933 -9.397 462 HG3 GLN 78 2HG GLN 78 -8.938 4.464 -9.662 463 HE21 GLN 78 1HE2 GLN 78 -10.130 5.283 -12.388 464 HE22 GLN 78 2HE2 GLN 78 -9.898 3.866 -13.408 465 H SER 79 H SER 79 -13.032 3.834 -6.955 466 HA SER 79 HA SER 79 -13.286 2.032 -4.828 467 HB3 SER 79 2HB SER 79 -15.008 3.588 -5.207 468 HG SER 79 HG SER 79 -16.432 3.311 -7.009 469 H SER 80 H SER 80 -13.428 1.281 -8.321 470 HA SER 80 HA SER 80 -14.421 -1.311 -8.237 471 HB3 SER 80 2HB SER 80 -14.196 -0.347 -10.304 472 HG SER 80 HG SER 80 -11.509 0.024 -10.541 473 H SER 81 H SER 81 -11.085 -0.178 -7.504 474 HA SER 81 HA SER 81 -10.090 -2.918 -7.277 475 HB3 SER 81 2HB SER 81 -8.868 -0.367 -6.121 476 HG SER 81 HG SER 81 -8.062 -2.551 -5.657 477 H LEU 82 H LEU 82 -11.509 -0.470 -5.083 478 HA LEU 82 HA LEU 82 -10.734 -1.792 -2.630 479 HB3 LEU 82 2HB LEU 82 -12.624 -0.381 -1.654 480 HG LEU 82 HG LEU 82 -10.472 1.024 -3.281 481 HD11 LEU 82 1HD1 LEU 82 -12.340 2.592 -2.944 482 HD12 LEU 82 2HD1 LEU 82 -10.978 3.039 -1.923 483 HD13 LEU 82 3HD1 LEU 82 -12.383 2.215 -1.212 484 HD21 LEU 82 3HD2 LEU 82 -10.750 0.511 -0.277 485 HD22 LEU 82 1HD2 LEU 82 -9.424 1.378 -1.069 486 HD23 LEU 82 2HD2 LEU 82 -9.637 -0.350 -1.371 487 H SER 83 H SER 83 -13.486 -2.062 -4.847 488 HA SER 83 HA SER 83 -15.181 -3.758 -3.398 489 HB3 SER 83 2HB SER 83 -14.604 -3.826 -6.396 490 HG SER 83 HG SER 83 -16.804 -4.268 -6.503 491 H ASN 84 H ASN 84 -12.221 -4.557 -5.270 492 HA ASN 84 HA ASN 84 -12.674 -7.449 -5.104 493 HB3 ASN 84 2HB ASN 84 -10.348 -7.469 -6.131 494 HD21 ASN 84 1HD2 ASN 84 -10.242 -7.798 -8.310 495 HD22 ASN 84 2HD2 ASN 84 -11.588 -7.447 -9.377 496 H ALA 85 H ALA 85 -11.572 -5.276 -2.767 497 HA ALA 85 HA ALA 85 -9.005 -6.537 -2.283 498 HB1 ALA 85 1HB ALA 85 -9.408 -4.074 -2.374 499 HB2 ALA 85 2HB ALA 85 -10.358 -4.207 -0.871 500 HB3 ALA 85 3HB ALA 85 -8.628 -4.624 -0.887 501 H HIS 86 H HIS 86 -8.358 -7.328 -0.297 502 HA HIS 86 HA HIS 86 -10.436 -8.782 1.252 503 HB3 HIS 86 2HB HIS 86 -7.582 -9.315 1.867 504 HD1 HIS 86 1HD HIS 86 -8.301 -12.062 -0.173 505 HD2 HIS 86 2HD HIS 86 -10.014 -10.553 3.390 506 HE1 HIS 86 1HE HIS 86 -9.606 -13.983 0.905 507 H ILE 87 H ILE 87 -11.242 -7.816 3.021 508 HA ILE 87 HA ILE 87 -9.799 -5.700 4.481 509 HB ILE 87 HB ILE 87 -12.299 -7.212 5.266 510 HG13 ILE 87 2HG1 ILE 87 -13.756 -5.603 4.126 511 HG21 ILE 87 1HG2 ILE 87 -11.400 -4.319 5.776 512 HG22 ILE 87 2HG2 ILE 87 -12.959 -5.017 6.262 513 HG23 ILE 87 3HG2 ILE 87 -11.473 -5.620 6.958 514 HD11 ILE 87 3HD1 ILE 87 -12.225 -3.672 3.712 515 HD12 ILE 87 1HD1 ILE 87 -11.256 -4.688 2.607 516 HD13 ILE 87 2HD1 ILE 87 -12.944 -4.282 2.209 517 H ASP 88 H ASP 88 -9.289 -5.856 6.713 518 HA ASP 88 HA ASP 88 -8.138 -8.490 7.365 519 HB3 ASP 88 2HB ASP 88 -6.698 -5.854 7.883 520 H TYR 89 H TYR 89 -9.926 -8.845 9.122 521 HA TYR 89 HA TYR 89 -9.547 -7.162 11.366 522 HB3 TYR 89 2HB TYR 89 -10.973 -5.822 10.082 523 HD1 TYR 89 2HD TYR 89 -11.787 -7.869 8.020 524 HD2 TYR 89 1HD TYR 89 -13.932 -6.196 11.378 525 HE1 TYR 89 2HE TYR 89 -13.883 -7.940 6.756 526 HE2 TYR 89 1HE TYR 89 -16.009 -6.213 10.077 527 HH TYR 89 HH TYR 89 -16.068 -7.307 6.668 528 H THR 90 H THR 90 -9.432 -8.355 12.829 529 HA THR 90 HA THR 90 -11.168 -10.621 13.439 530 HB THR 90 HB THR 90 -10.082 -10.337 15.738 531 HG1 THR 90 1HG THR 90 -8.441 -8.509 14.279 532 HG21 THR 90 3HG2 THR 90 -8.007 -11.389 15.019 533 HG22 THR 90 1HG2 THR 90 -8.138 -10.638 13.406 534 HG23 THR 90 2HG2 THR 90 -9.299 -11.874 13.912 535 H THR 91 H THR 91 -11.388 -7.120 13.927 536 HA THR 91 HA THR 91 -14.086 -7.591 15.029 537 HB THR 91 HB THR 91 -13.684 -5.703 16.697 538 HG1 THR 91 1HG THR 91 -11.447 -5.808 17.465 539 HG21 THR 91 3HG2 THR 91 -13.016 -7.175 18.418 540 HG22 THR 91 1HG2 THR 91 -12.183 -8.262 17.317 541 HG23 THR 91 2HG2 THR 91 -13.942 -8.143 17.287 542 H LYS 92 H LYS 92 -11.860 -4.794 14.217 543 HA LYS 92 HA LYS 92 -14.275 -3.534 12.959 544 HB3 LYS 92 2HB LYS 92 -12.989 -1.469 13.032 545 HG3 LYS 92 2HG LYS 92 -13.617 -2.918 15.557 546 HD3 LYS 92 2HD LYS 92 -12.672 -0.733 16.746 547 HE3 LYS 92 2HE LYS 92 -10.363 -2.065 16.918 548 HZ1 LYS 92 3HZ LYS 92 -12.930 -3.228 17.777 549 HZ2 LYS 92 1HZ LYS 92 -11.992 -2.212 18.621 550 HZ3 LYS 92 2HZ LYS 92 -11.473 -3.747 18.321 551 HA PRO 93 HA PRO 93 -12.319 -4.486 9.072 552 HB3 PRO 93 2HB PRO 93 -14.328 -4.207 8.061 553 HG3 PRO 93 2HG PRO 93 -15.895 -2.578 8.800 554 HD3 PRO 93 2HD PRO 93 -15.268 -3.765 10.760 555 H ALA 94 H ALA 94 -10.165 -3.939 8.829 556 HA ALA 94 HA ALA 94 -9.845 -1.191 7.789 557 HB1 ALA 94 1HB ALA 94 -7.573 -1.057 8.746 558 HB2 ALA 94 2HB ALA 94 -8.732 -1.395 10.044 559 HB3 ALA 94 3HB ALA 94 -7.715 -2.701 9.396 560 H ILE 95 H ILE 95 -8.665 -1.091 5.955 561 HA ILE 95 HA ILE 95 -7.830 -3.530 4.536 562 HB ILE 95 HB ILE 95 -8.271 -0.595 3.865 563 HG13 ILE 95 2HG1 ILE 95 -10.199 -2.181 3.945 564 HG21 ILE 95 1HG2 ILE 95 -6.215 -1.137 2.703 565 HG22 ILE 95 2HG2 ILE 95 -6.905 -2.628 2.085 566 HG23 ILE 95 3HG2 ILE 95 -7.532 -1.050 1.539 567 HD11 ILE 95 3HD1 ILE 95 -9.692 -1.441 1.046 568 HD12 ILE 95 1HD1 ILE 95 -11.237 -1.734 1.858 569 HD13 ILE 95 2HD1 ILE 95 -10.273 -0.308 2.292 570 H ILE 96 H ILE 96 -5.702 -4.103 4.453 571 HA ILE 96 HA ILE 96 -3.684 -2.365 5.656 572 HB ILE 96 HB ILE 96 -3.460 -5.122 4.421 573 HG13 ILE 96 2HG1 ILE 96 -3.227 -5.985 6.732 574 HG21 ILE 96 1HG2 ILE 96 -1.384 -3.622 6.064 575 HG22 ILE 96 2HG2 ILE 96 -1.272 -5.310 5.545 576 HG23 ILE 96 3HG2 ILE 96 -1.281 -4.030 4.335 577 HD11 ILE 96 3HD1 ILE 96 -2.662 -3.950 8.036 578 HD12 ILE 96 1HD1 ILE 96 -4.221 -3.219 7.566 579 HD13 ILE 96 2HD1 ILE 96 -4.209 -4.643 8.583 580 H PHE 97 H PHE 97 -2.163 -1.338 4.478 581 HA PHE 97 HA PHE 97 -2.179 -1.640 1.505 582 HB3 PHE 97 2HB PHE 97 -1.364 0.834 1.599 583 HD1 PHE 97 1HD PHE 97 -2.798 0.428 -0.433 584 HD2 PHE 97 2HD PHE 97 -4.491 1.050 3.479 585 HE1 PHE 97 1HE PHE 97 -4.968 1.053 -1.469 586 HE2 PHE 97 2HE PHE 97 -6.654 1.689 2.441 587 HZ PHE 97 HZ PHE 97 -6.898 1.693 -0.032 588 H ARG 98 H ARG 98 -0.199 -2.067 0.723 589 HA ARG 98 HA ARG 98 2.193 -1.881 2.498 590 HB3 ARG 98 2HB ARG 98 3.140 -3.194 0.410 591 HG3 ARG 98 2HG ARG 98 1.710 -5.262 1.412 592 HD3 ARG 98 2HD ARG 98 3.911 -3.988 3.061 593 HE ARG 98 HE ARG 98 3.690 -6.831 2.375 594 HH11 ARG 98 1HH1 ARG 98 3.430 -4.387 4.972 595 HH12 ARG 98 2HH1 ARG 98 3.424 -5.599 6.237 596 HH21 ARG 98 1HH2 ARG 98 3.878 -8.342 4.152 597 HH22 ARG 98 2HH2 ARG 98 3.397 -7.862 5.733 598 H ILE 99 H ILE 99 3.706 -0.206 1.900 599 HA ILE 99 HA ILE 99 3.499 0.983 -0.792 600 HB ILE 99 HB ILE 99 3.674 2.626 1.775 601 HG13 ILE 99 2HG1 ILE 99 1.304 1.709 1.210 602 HG21 ILE 99 1HG2 ILE 99 3.296 3.703 -1.042 603 HG22 ILE 99 2HG2 ILE 99 3.747 4.601 0.414 604 HG23 ILE 99 3HG2 ILE 99 4.905 3.523 -0.334 605 HD11 ILE 99 3HD1 ILE 99 1.846 4.670 1.425 606 HD12 ILE 99 1HD1 ILE 99 0.226 3.978 1.371 607 HD13 ILE 99 2HD1 ILE 99 1.355 3.517 2.678 608 H ALA 100 H ALA 100 5.629 1.523 -1.555 609 HA ALA 100 HA ALA 100 7.833 1.588 0.314 610 HB1 ALA 100 1HB ALA 100 9.074 -0.231 -0.497 611 HB2 ALA 100 2HB ALA 100 7.465 -0.911 -0.305 612 HB3 ALA 100 3HB ALA 100 8.030 -0.465 -1.925 613 H ALA 101 H ALA 101 9.851 2.177 -0.870 614 HA ALA 101 HA ALA 101 9.300 4.114 -3.062 615 HB1 ALA 101 1HB ALA 101 11.438 5.037 -2.426 616 HB2 ALA 101 2HB ALA 101 10.356 4.945 -1.036 617 HB3 ALA 101 3HB ALA 101 11.679 3.761 -1.214 618 H ARG 102 H ARG 102 9.987 3.732 -5.141 619 HA ARG 102 HA ARG 102 11.585 1.324 -5.734 620 HB3 ARG 102 2HB ARG 102 10.589 3.519 -7.596 621 HG3 ARG 102 2HG ARG 102 12.443 2.164 -8.553 622 HD3 ARG 102 2HD ARG 102 10.618 -0.109 -7.843 623 HE ARG 102 HE ARG 102 12.464 -0.906 -9.856 624 HH11 ARG 102 1HH1 ARG 102 9.124 0.365 -9.519 625 HH12 ARG 102 2HH1 ARG 102 8.773 0.188 -11.194 626 HH21 ARG 102 1HH2 ARG 102 11.817 -1.558 -11.894 627 HH22 ARG 102 2HH2 ARG 102 10.244 -1.147 -12.515 628 H ASN 103 H ASN 103 13.699 1.561 -5.309 629 HA ASN 103 HA ASN 103 15.028 3.787 -6.684 630 HB3 ASN 103 2HB ASN 103 15.311 4.515 -4.473 631 HD21 ASN 103 1HD2 ASN 103 14.961 1.131 -3.952 632 HD22 ASN 103 2HD2 ASN 103 15.527 1.274 -2.320 633 H GLU 104 H GLU 104 17.336 3.298 -7.262 634 HA GLU 104 HA GLU 104 17.357 1.027 -8.746 635 HB3 GLU 104 2HB GLU 104 20.070 1.542 -8.483 636 HG3 GLU 104 2HG GLU 104 17.889 2.971 -10.004 637 H LYS 105 H LYS 105 18.370 1.381 -5.426 638 HA LYS 105 HA LYS 105 19.847 -0.960 -4.926 639 HB3 LYS 105 2HB LYS 105 17.899 -0.266 -2.793 640 HG3 LYS 105 2HG LYS 105 20.048 0.367 -1.629 641 HD3 LYS 105 2HD LYS 105 20.312 -2.392 -2.883 642 HE3 LYS 105 2HE LYS 105 21.170 -2.970 -0.617 643 HZ1 LYS 105 3HZ LYS 105 22.632 -0.624 -1.694 644 HZ2 LYS 105 1HZ LYS 105 22.880 -2.203 -2.111 645 HZ3 LYS 105 2HZ LYS 105 23.202 -1.703 -0.581 646 H GLY 106 H GLY 106 16.287 -0.583 -5.252 647 HA2 GLY 106 1HA GLY 106 15.338 -2.921 -6.030 648 HA3 GLY 106 2HA GLY 106 15.733 -3.290 -4.332 649 H TYR 107 H TYR 107 13.107 -3.445 -4.538 650 HA TYR 107 HA TYR 107 11.831 -0.884 -4.439 651 HB3 TYR 107 2HB TYR 107 10.125 -2.920 -3.291 652 HD1 TYR 107 1HD TYR 107 9.638 -0.235 -3.874 653 HD2 TYR 107 2HD TYR 107 9.771 -3.516 -6.638 654 HE1 TYR 107 1HE TYR 107 8.350 1.112 -5.513 655 HE2 TYR 107 2HE TYR 107 8.501 -2.183 -8.312 656 HH TYR 107 HH TYR 107 7.185 0.999 -7.623 657 H GLY 108 H GLY 108 13.609 -2.262 -2.236 658 HA2 GLY 108 1HA GLY 108 14.053 -1.826 0.074 659 HA3 GLY 108 2HA GLY 108 12.799 -0.576 0.019 660 HA PRO 109 HA PRO 109 10.655 -4.051 2.233 661 HB3 PRO 109 2HB PRO 109 11.908 -4.052 4.202 662 HG3 PRO 109 2HG PRO 109 13.145 -2.136 4.879 663 HD3 PRO 109 2HD PRO 109 13.921 -2.536 2.714 664 H ALA 110 H ALA 110 8.456 -3.674 2.566 665 HA ALA 110 HA ALA 110 7.458 -0.948 1.990 666 HB1 ALA 110 1HB ALA 110 5.319 -2.095 1.530 667 HB2 ALA 110 2HB ALA 110 6.615 -2.840 0.564 668 HB3 ALA 110 3HB ALA 110 6.035 -3.636 2.038 669 H THR 111 H THR 111 5.913 -0.037 3.327 670 HA THR 111 HA THR 111 5.959 -0.663 6.169 671 HB THR 111 HB THR 111 5.801 1.644 5.208 672 HG1 THR 111 1HG THR 111 5.244 1.429 7.282 673 HG21 THR 111 3HG2 THR 111 4.308 1.321 3.386 674 HG22 THR 111 1HG2 THR 111 3.601 2.488 4.508 675 HG23 THR 111 2HG2 THR 111 2.989 0.817 4.434 676 H GLN 112 H GLN 112 3.924 -0.996 7.392 677 HA GLN 112 HA GLN 112 1.864 -2.635 5.991 678 HB3 GLN 112 2HB GLN 112 2.907 -2.886 8.818 679 HG3 GLN 112 2HG GLN 112 1.313 -5.057 7.495 680 HE21 GLN 112 1HE2 GLN 112 -0.517 -5.557 9.464 681 HE22 GLN 112 2HE2 GLN 112 0.268 -5.705 11.043 682 H VAL 113 H VAL 113 0.674 -0.707 5.610 683 HA VAL 113 HA VAL 113 -0.081 0.949 7.968 684 HB VAL 113 HB VAL 113 -0.517 1.243 4.979 685 HG11 VAL 113 1HG1 VAL 113 -1.394 3.493 5.529 686 HG12 VAL 113 2HG1 VAL 113 -2.449 2.215 6.119 687 HG13 VAL 113 3HG1 VAL 113 -1.383 3.083 7.261 688 HG21 VAL 113 3HG2 VAL 113 1.069 3.009 5.129 689 HG22 VAL 113 1HG2 VAL 113 1.031 3.013 6.914 690 HG23 VAL 113 2HG2 VAL 113 1.811 1.698 6.054 691 H ARG 114 H ARG 114 -2.390 1.114 8.511 692 HA ARG 114 HA ARG 114 -4.184 -0.708 7.117 693 HB3 ARG 114 2HB ARG 114 -3.545 -1.744 9.355 694 HG3 ARG 114 2HG ARG 114 -4.688 -0.942 11.339 695 HD3 ARG 114 2HD ARG 114 -2.878 1.142 10.223 696 HE ARG 114 HE ARG 114 -4.007 0.906 12.922 697 HH11 ARG 114 1HH1 ARG 114 -1.255 2.289 11.156 698 HH12 ARG 114 2HH1 ARG 114 -1.461 3.892 11.833 699 HH21 ARG 114 1HH2 ARG 114 -4.034 3.062 14.039 700 HH22 ARG 114 2HH2 ARG 114 -2.915 4.267 13.459 701 H TRP 115 H TRP 115 -6.383 0.141 7.205 702 HA TRP 115 HA TRP 115 -6.635 3.082 7.816 703 HB3 TRP 115 2HB TRP 115 -7.844 1.285 5.723 704 HD1 TRP 115 HD TRP 115 -8.292 4.726 7.394 705 HE1 TRP 115 1HE TRP 115 -10.424 5.773 6.490 706 HE3 TRP 115 3HE TRP 115 -9.186 1.538 3.483 707 HZ2 TRP 115 2HZ TRP 115 -12.389 5.216 4.432 708 HZ3 TRP 115 3HZ TRP 115 -11.206 1.815 2.091 709 HH2 TRP 115 HH TRP 115 -12.834 3.575 2.587 710 H LEU 116 H LEU 116 -7.128 2.416 10.122 711 HA LEU 116 HA LEU 116 -9.304 0.670 10.643 712 HB3 LEU 116 2HB LEU 116 -9.390 1.640 12.879 713 HG LEU 116 HG LEU 116 -6.459 1.397 12.204 714 HD11 LEU 116 1HD1 LEU 116 -6.288 0.631 14.495 715 HD12 LEU 116 2HD1 LEU 116 -8.053 0.716 14.703 716 HD13 LEU 116 3HD1 LEU 116 -7.112 2.214 14.458 717 HD21 LEU 116 3HD2 LEU 116 -8.533 -0.798 12.572 718 HD22 LEU 116 1HD2 LEU 116 -6.836 -1.064 12.949 719 HD23 LEU 116 2HD2 LEU 116 -7.256 -0.641 11.345 720 H GLN 117 H GLN 117 -9.298 3.917 9.559 721 HA GLN 117 HA GLN 117 -11.965 4.623 10.546 722 HB3 GLN 117 2HB GLN 117 -11.407 6.696 9.074 723 HG3 GLN 117 2HG GLN 117 -9.300 7.113 10.782 724 HE21 GLN 117 1HE2 GLN 117 -9.819 9.134 11.496 725 HE22 GLN 117 2HE2 GLN 117 -11.433 9.720 11.772 726 H GLU 118 H GLU 118 -11.733 2.210 8.705 727 HA GLU 118 HA GLU 118 -13.094 2.875 6.292 728 HB3 GLU 118 2HB GLU 118 -13.769 0.323 7.703 729 HG3 GLU 118 2HG GLU 118 -13.189 -0.661 5.590 730 H THR 119 H THR 119 -14.838 4.158 6.424 731 HA THR 119 HA THR 119 -17.285 3.293 7.344 732 HB THR 119 HB THR 119 -17.097 5.834 8.740 733 HG1 THR 119 1HG THR 119 -15.264 3.870 9.503 734 HG21 THR 119 3HG2 THR 119 -18.868 4.191 9.129 735 HG22 THR 119 1HG2 THR 119 -18.003 4.512 10.637 736 HG23 THR 119 2HG2 THR 119 -17.694 3.012 9.737 737 H SER 120 H SER 120 -18.887 5.178 6.769 738 HA SER 120 HA SER 120 -19.667 6.714 5.360 739 HB3 SER 120 2HB SER 120 -16.832 7.503 4.570 740 HG SER 120 HG SER 120 -18.151 9.553 4.369 741 H LYS 121 H LYS 121 -19.914 7.062 3.116 742 HA LYS 121 HA LYS 121 -18.430 5.708 1.049 743 HB3 LYS 121 2HB LYS 121 -20.694 4.976 -0.029 744 HG3 LYS 121 2HG LYS 121 -19.369 3.232 2.056 745 HD3 LYS 121 2HD LYS 121 -20.461 1.442 0.575 746 HE3 LYS 121 2HE LYS 121 -22.060 3.250 2.436 747 HZ1 LYS 121 3HZ LYS 121 -23.448 1.749 1.013 748 HZ2 LYS 121 1HZ LYS 121 -23.619 1.634 2.660 749 HZ3 LYS 121 2HZ LYS 121 -22.765 0.482 1.827 750 H ASP 122 H ASP 122 -19.121 8.416 2.239 751 HA ASP 122 HA ASP 122 -19.608 10.458 1.711 752 HB3 ASP 122 2HB ASP 122 -19.267 9.938 -1.227 753 H SER 123 H SER 123 -21.978 8.596 1.634 754 HA SER 123 HA SER 123 -24.207 8.589 1.133 755 HB3 SER 123 2HB SER 123 -25.208 10.913 0.329 756 HG SER 123 HG SER 123 -24.999 11.573 2.594 757 H SER 124 H SER 124 -25.816 9.450 -0.896 758 HA SER 124 HA SER 124 -26.516 8.576 -2.843 759 HB3 SER 124 2HB SER 124 -24.954 8.928 -4.829 760 HG SER 124 HG SER 124 -26.301 10.529 -4.312 761 H GLY 125 H GLY 125 -25.458 7.077 -4.894 762 HA2 GLY 125 1HA GLY 125 -23.978 4.803 -3.903 763 HA3 GLY 125 2HA GLY 125 -25.664 4.474 -4.304 764 H THR 126 H THR 126 -23.932 3.145 -5.815 765 HA THR 126 HA THR 126 -23.231 4.729 -8.223 766 HB THR 126 HB THR 126 -22.066 2.034 -7.818 767 HG1 THR 126 1HG THR 126 -21.001 4.067 -6.185 768 HG21 THR 126 3HG2 THR 126 -20.007 3.122 -8.523 769 HG22 THR 126 1HG2 THR 126 -20.745 4.730 -8.350 770 HG23 THR 126 2HG2 THR 126 -21.320 3.609 -9.600
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