NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
463289 | 2yr3 | 11236 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 38.025 -4.608 8.571 2 HA2 GLY 1 1HA GLY 1 35.620 -3.270 9.504 3 HA3 GLY 1 2HA GLY 1 36.774 -2.244 8.664 4 H SER 2 H SER 2 34.448 -2.273 7.502 5 HA SER 2 HA SER 2 34.929 -3.698 5.029 6 HB2 SER 2 1HB SER 2 32.544 -4.275 6.782 7 HB3 SER 2 2HB SER 2 32.505 -4.551 5.040 8 HG SER 2 HG SER 2 34.042 -6.093 5.239 9 H SER 3 H SER 3 34.469 -2.392 3.389 10 HA SER 3 HA SER 3 33.523 0.202 3.692 11 HB2 SER 3 1HB SER 3 34.806 -0.845 1.720 12 HB3 SER 3 2HB SER 3 33.223 -1.333 1.116 13 HG SER 3 HG SER 3 32.735 0.701 0.694 14 H GLY 4 H GLY 4 31.560 1.180 3.551 15 HA2 GLY 4 1HA GLY 4 29.229 -0.216 2.593 16 HA3 GLY 4 2HA GLY 4 29.255 -0.028 4.340 17 H SER 5 H SER 5 27.274 1.078 2.692 18 HA SER 5 HA SER 5 27.787 3.944 3.118 19 HB2 SER 5 1HB SER 5 26.460 4.442 1.087 20 HB3 SER 5 2HB SER 5 27.916 3.518 0.716 21 HG SER 5 HG SER 5 26.501 1.622 0.807 22 H SER 6 H SER 6 26.215 5.041 4.148 23 HA SER 6 HA SER 6 24.106 3.576 5.391 24 HB2 SER 6 1HB SER 6 23.614 5.576 6.571 25 HB3 SER 6 2HB SER 6 25.365 5.580 6.358 26 HG SER 6 HG SER 6 23.428 7.222 5.236 27 H GLY 7 H GLY 7 21.877 3.772 5.113 28 HA2 GLY 7 1HA GLY 7 19.908 4.525 4.069 29 HA3 GLY 7 2HA GLY 7 20.888 5.367 2.878 30 H MET 8 H MET 8 20.472 1.990 3.959 31 HA MET 8 HA MET 8 20.683 1.112 1.188 32 HB2 MET 8 1HB MET 8 20.743 -1.161 2.146 33 HB3 MET 8 2HB MET 8 21.978 -0.116 2.836 34 HG2 MET 8 1HG MET 8 20.876 0.048 4.877 35 HG3 MET 8 2HG MET 8 19.342 -0.487 4.197 36 HE1 MET 8 3HE MET 8 19.044 -3.891 4.264 37 HE2 MET 8 1HE MET 8 18.954 -3.222 5.893 38 HE3 MET 8 2HE MET 8 18.411 -2.263 4.516 39 H GLU 9 H GLU 9 19.133 -0.420 0.300 40 HA GLU 9 HA GLU 9 16.481 0.490 0.520 41 HB2 GLU 9 1HB GLU 9 17.777 -1.863 -0.812 42 HB3 GLU 9 2HB GLU 9 16.024 -1.741 -0.759 43 HG2 GLU 9 1HG GLU 9 15.961 0.048 -2.173 44 HG3 GLU 9 2HG GLU 9 17.570 0.606 -1.717 45 H VAL 10 H VAL 10 14.738 -1.494 0.663 46 HA VAL 10 HA VAL 10 15.226 -3.209 2.937 47 HB VAL 10 HB VAL 10 13.002 -2.201 3.973 48 HG11 VAL 10 1HG1 VAL 10 15.575 -0.739 4.475 49 HG12 VAL 10 2HG1 VAL 10 14.314 -1.186 5.626 50 HG13 VAL 10 3HG1 VAL 10 15.362 -2.427 4.937 51 HG21 VAL 10 3HG2 VAL 10 14.292 0.250 2.785 52 HG22 VAL 10 1HG2 VAL 10 12.830 -0.502 2.148 53 HG23 VAL 10 2HG2 VAL 10 12.835 0.178 3.776 54 H ALA 11 H ALA 11 13.405 -4.648 3.379 55 HA ALA 11 HA ALA 11 12.079 -5.400 0.921 56 HB1 ALA 11 3HB ALA 11 12.481 -6.663 3.587 57 HB2 ALA 11 1HB ALA 11 11.166 -7.237 2.563 58 HB3 ALA 11 2HB ALA 11 12.828 -7.290 1.976 59 HA PRO 12 HA PRO 12 8.129 -3.650 1.702 60 HB2 PRO 12 1HB PRO 12 6.499 -5.515 0.590 61 HB3 PRO 12 2HB PRO 12 7.509 -4.427 -0.370 62 HG2 PRO 12 1HG PRO 12 8.001 -7.276 0.407 63 HG3 PRO 12 2HG PRO 12 8.265 -6.480 -1.156 64 HD2 PRO 12 1HD PRO 12 10.276 -6.960 0.593 65 HD3 PRO 12 2HD PRO 12 10.265 -5.551 -0.487 66 H SER 13 H SER 13 6.462 -3.683 3.165 67 HA SER 13 HA SER 13 5.619 -6.065 4.507 68 HB2 SER 13 1HB SER 13 7.904 -5.224 5.563 69 HB3 SER 13 2HB SER 13 6.835 -4.098 6.399 70 HG SER 13 HG SER 13 7.242 -6.171 7.471 71 H PHE 14 H PHE 14 3.894 -5.665 6.040 72 HA PHE 14 HA PHE 14 2.572 -3.079 5.551 73 HB2 PHE 14 1HB PHE 14 1.452 -5.848 5.941 74 HB3 PHE 14 2HB PHE 14 0.455 -4.410 6.137 75 HD1 PHE 14 HD2 PHE 14 0.379 -2.772 4.153 76 HD2 PHE 14 HD1 PHE 14 1.729 -6.797 3.850 77 HE1 PHE 14 HE2 PHE 14 -0.024 -2.721 1.727 78 HE2 PHE 14 HE1 PHE 14 1.329 -6.752 1.423 79 HZ PHE 14 HZ PHE 14 0.450 -4.712 0.358 80 H SER 15 H SER 15 2.817 -1.797 7.261 81 HA SER 15 HA SER 15 3.264 -2.777 9.902 82 HB2 SER 15 1HB SER 15 2.641 0.011 8.901 83 HB3 SER 15 2HB SER 15 3.127 -0.375 10.552 84 HG SER 15 HG SER 15 5.116 -0.474 9.902 85 H SER 16 H SER 16 0.495 -1.401 8.201 86 HA SER 16 HA SER 16 -1.226 -2.348 10.386 87 HB2 SER 16 1HB SER 16 -0.755 0.259 10.212 88 HB3 SER 16 2HB SER 16 -1.993 0.162 8.960 89 HG SER 16 HG SER 16 -2.514 -1.117 11.379 90 H VAL 17 H VAL 17 -1.780 -4.152 9.144 91 HA VAL 17 HA VAL 17 -2.576 -4.169 6.479 92 HB VAL 17 HB VAL 17 -3.788 -6.262 7.007 93 HG11 VAL 17 1HG1 VAL 17 -0.988 -5.710 7.631 94 HG12 VAL 17 2HG1 VAL 17 -1.608 -7.184 8.378 95 HG13 VAL 17 3HG1 VAL 17 -1.700 -6.974 6.629 96 HG21 VAL 17 3HG2 VAL 17 -3.236 -6.949 9.543 97 HG22 VAL 17 1HG2 VAL 17 -3.484 -5.216 9.751 98 HG23 VAL 17 2HG2 VAL 17 -4.760 -6.211 9.051 99 H LEU 18 H LEU 18 -4.764 -4.529 5.611 100 HA LEU 18 HA LEU 18 -6.512 -2.429 6.361 101 HB2 LEU 18 1HB LEU 18 -6.861 -4.779 4.512 102 HB3 LEU 18 2HB LEU 18 -8.072 -3.514 4.714 103 HG LEU 18 HG LEU 18 -5.296 -2.760 3.912 104 HD11 LEU 18 1HD1 LEU 18 -6.429 -4.714 2.500 105 HD12 LEU 18 2HD1 LEU 18 -5.482 -3.427 1.754 106 HD13 LEU 18 3HD1 LEU 18 -7.243 -3.336 1.758 107 HD21 LEU 18 3HD2 LEU 18 -6.693 -0.923 4.350 108 HD22 LEU 18 1HD2 LEU 18 -8.066 -1.663 3.526 109 HD23 LEU 18 2HD2 LEU 18 -6.686 -1.083 2.593 110 H LYS 19 H LYS 19 -8.637 -2.542 7.189 111 HA LYS 19 HA LYS 19 -9.241 -5.000 8.697 112 HB2 LYS 19 1HB LYS 19 -9.801 -2.176 9.617 113 HB3 LYS 19 2HB LYS 19 -10.098 -3.655 10.522 114 HG2 LYS 19 1HG LYS 19 -7.571 -4.049 10.319 115 HG3 LYS 19 2HG LYS 19 -7.486 -2.344 9.869 116 HD2 LYS 19 1HD LYS 19 -7.185 -2.212 12.145 117 HD3 LYS 19 2HD LYS 19 -8.936 -2.020 12.029 118 HE2 LYS 19 1HE LYS 19 -7.838 -4.770 12.294 119 HE3 LYS 19 2HE LYS 19 -7.821 -3.730 13.717 120 HZ1 LYS 19 3HZ LYS 19 -9.932 -4.273 14.022 121 HZ2 LYS 19 1HZ LYS 19 -9.994 -5.122 12.560 122 HZ3 LYS 19 2HZ LYS 19 -10.331 -3.465 12.590 123 H ASP 20 H ASP 20 -11.566 -5.182 9.304 124 HA ASP 20 HA ASP 20 -13.210 -5.066 7.051 125 HB2 ASP 20 1HB ASP 20 -13.407 -6.403 9.322 126 HB3 ASP 20 2HB ASP 20 -14.433 -5.046 9.778 127 H CYS 21 H CYS 21 -15.045 -3.787 6.568 128 HA CYS 21 HA CYS 21 -15.581 -1.387 8.062 129 HB2 CYS 21 1HB CYS 21 -14.055 -1.314 5.485 130 HB3 CYS 21 2HB CYS 21 -15.175 -0.010 5.863 131 HG CYS 21 HG CYS 21 -13.208 -0.621 8.446 132 H ALA 22 H ALA 22 -17.569 -0.512 7.589 133 HA ALA 22 HA ALA 22 -19.119 -1.901 5.499 134 HB1 ALA 22 3HB ALA 22 -20.183 -0.787 8.091 135 HB2 ALA 22 1HB ALA 22 -21.080 -1.706 6.883 136 HB3 ALA 22 2HB ALA 22 -19.795 -2.484 7.808 137 H VAL 23 H VAL 23 -20.580 -0.700 4.274 138 HA VAL 23 HA VAL 23 -20.732 2.179 4.687 139 HB VAL 23 HB VAL 23 -18.731 1.530 3.145 140 HG11 VAL 23 1HG1 VAL 23 -19.260 1.220 0.829 141 HG12 VAL 23 2HG1 VAL 23 -20.112 -0.014 1.758 142 HG13 VAL 23 3HG1 VAL 23 -20.985 1.393 1.149 143 HG21 VAL 23 3HG2 VAL 23 -20.298 3.508 1.685 144 HG22 VAL 23 1HG2 VAL 23 -20.296 3.770 3.429 145 HG23 VAL 23 2HG2 VAL 23 -18.770 3.686 2.548 146 H ILE 24 H ILE 24 -22.376 3.206 3.380 147 HA ILE 24 HA ILE 24 -24.593 1.391 2.857 148 HB ILE 24 HB ILE 24 -24.551 4.411 2.829 149 HG12 ILE 24 1HG1 ILE 24 -25.261 2.420 4.986 150 HG13 ILE 24 2HG1 ILE 24 -24.046 3.692 5.052 151 HG21 ILE 24 1HG2 ILE 24 -26.453 2.616 1.839 152 HG22 ILE 24 2HG2 ILE 24 -27.098 3.194 3.374 153 HG23 ILE 24 3HG2 ILE 24 -26.654 4.346 2.116 154 HD11 ILE 24 3HD1 ILE 24 -25.525 5.108 5.877 155 HD12 ILE 24 1HD1 ILE 24 -26.602 4.844 4.506 156 HD13 ILE 24 2HD1 ILE 24 -26.705 3.798 5.923 157 H GLU 25 H GLU 25 -25.611 1.146 0.903 158 HA GLU 25 HA GLU 25 -24.133 1.279 -1.433 159 HB2 GLU 25 1HB GLU 25 -26.257 -0.046 -0.990 160 HB3 GLU 25 2HB GLU 25 -27.144 1.429 -1.349 161 HG2 GLU 25 1HG GLU 25 -26.254 1.474 -3.587 162 HG3 GLU 25 2HG GLU 25 -25.236 0.077 -3.242 163 H GLY 26 H GLY 26 -23.438 2.948 -2.583 164 HA2 GLY 26 1HA GLY 26 -23.932 4.842 -3.980 165 HA3 GLY 26 2HA GLY 26 -25.182 5.307 -2.836 166 H GLN 27 H GLN 27 -22.893 4.467 -0.801 167 HA GLN 27 HA GLN 27 -21.942 7.198 -0.505 168 HB2 GLN 27 1HB GLN 27 -21.937 4.763 1.246 169 HB3 GLN 27 2HB GLN 27 -20.886 6.123 1.620 170 HG2 GLN 27 1HG GLN 27 -23.887 6.161 1.421 171 HG3 GLN 27 2HG GLN 27 -22.916 6.302 2.886 172 HE21 GLN 27 1HE2 GLN 27 -24.190 7.918 0.133 173 HE22 GLN 27 2HE2 GLN 27 -23.656 9.508 0.545 174 H ASP 28 H ASP 28 -19.604 7.441 0.254 175 HA ASP 28 HA ASP 28 -17.890 5.913 -1.585 176 HB2 ASP 28 1HB ASP 28 -16.331 7.862 -1.397 177 HB3 ASP 28 2HB ASP 28 -17.890 8.261 -2.114 178 H PHE 29 H PHE 29 -15.971 5.020 -0.882 179 HA PHE 29 HA PHE 29 -15.172 5.334 1.893 180 HB2 PHE 29 1HB PHE 29 -15.378 3.066 2.519 181 HB3 PHE 29 2HB PHE 29 -16.906 3.459 1.739 182 HD1 PHE 29 HD2 PHE 29 -13.648 1.791 1.239 183 HD2 PHE 29 HD1 PHE 29 -17.630 2.303 -0.174 184 HE1 PHE 29 HE2 PHE 29 -13.338 -0.096 -0.309 185 HE2 PHE 29 HE1 PHE 29 -17.327 0.416 -1.723 186 HZ PHE 29 HZ PHE 29 -15.178 -0.786 -1.793 187 H VAL 30 H VAL 30 -13.026 5.377 2.035 188 HA VAL 30 HA VAL 30 -11.465 4.249 -0.196 189 HB VAL 30 HB VAL 30 -11.153 6.604 -0.187 190 HG11 VAL 30 1HG1 VAL 30 -10.440 7.852 1.807 191 HG12 VAL 30 2HG1 VAL 30 -12.021 7.099 2.026 192 HG13 VAL 30 3HG1 VAL 30 -10.591 6.381 2.768 193 HG21 VAL 30 3HG2 VAL 30 -9.085 4.873 0.020 194 HG22 VAL 30 1HG2 VAL 30 -8.904 6.595 -0.312 195 HG23 VAL 30 2HG2 VAL 30 -8.709 5.988 1.333 196 H LEU 31 H LEU 31 -10.191 2.586 0.262 197 HA LEU 31 HA LEU 31 -9.820 1.749 3.002 198 HB2 LEU 31 1HB LEU 31 -8.786 0.540 0.441 199 HB3 LEU 31 2HB LEU 31 -8.741 -0.215 2.033 200 HG LEU 31 HG LEU 31 -11.360 0.563 0.809 201 HD11 LEU 31 1HD1 LEU 31 -11.486 -1.751 -0.103 202 HD12 LEU 31 2HD1 LEU 31 -9.759 -1.917 0.210 203 HD13 LEU 31 3HD1 LEU 31 -10.334 -0.707 -0.937 204 HD21 LEU 31 3HD2 LEU 31 -11.054 -1.925 2.320 205 HD22 LEU 31 1HD2 LEU 31 -12.251 -0.640 2.475 206 HD23 LEU 31 2HD2 LEU 31 -10.671 -0.468 3.239 207 H GLN 32 H GLN 32 -8.304 2.735 4.171 208 HA GLN 32 HA GLN 32 -5.748 3.413 2.885 209 HB2 GLN 32 1HB GLN 32 -6.937 5.307 3.895 210 HB3 GLN 32 2HB GLN 32 -6.959 4.476 5.444 211 HG2 GLN 32 1HG GLN 32 -4.384 4.447 5.183 212 HG3 GLN 32 2HG GLN 32 -4.663 5.726 4.003 213 HE21 GLN 32 1HE2 GLN 32 -3.655 7.292 5.224 214 HE22 GLN 32 2HE2 GLN 32 -4.337 7.927 6.678 215 H CYS 33 H CYS 33 -3.877 2.534 3.578 216 HA CYS 33 HA CYS 33 -3.826 1.054 6.094 217 HB2 CYS 33 1HB CYS 33 -2.643 -0.848 4.857 218 HB3 CYS 33 2HB CYS 33 -4.386 -0.726 4.651 219 HG CYS 33 HG CYS 33 -4.422 -0.295 2.089 220 H SER 34 H SER 34 -1.439 0.021 6.216 221 HA SER 34 HA SER 34 0.438 2.155 5.437 222 HB2 SER 34 1HB SER 34 -0.050 2.303 7.836 223 HB3 SER 34 2HB SER 34 0.400 0.610 8.042 224 HG SER 34 HG SER 34 1.978 2.797 7.961 225 H VAL 35 H VAL 35 2.169 1.503 4.339 226 HA VAL 35 HA VAL 35 3.158 -1.229 4.661 227 HB VAL 35 HB VAL 35 1.585 -1.312 2.761 228 HG11 VAL 35 1HG1 VAL 35 3.454 0.678 1.477 229 HG12 VAL 35 2HG1 VAL 35 2.083 -0.115 0.698 230 HG13 VAL 35 3HG1 VAL 35 1.812 1.013 2.026 231 HG21 VAL 35 3HG2 VAL 35 3.202 -2.245 1.097 232 HG22 VAL 35 1HG2 VAL 35 4.509 -1.634 2.111 233 HG23 VAL 35 2HG2 VAL 35 3.407 -2.860 2.737 234 H ARG 36 H ARG 36 5.315 -1.306 4.708 235 HA ARG 36 HA ARG 36 6.791 1.087 3.834 236 HB2 ARG 36 1HB ARG 36 7.651 -0.999 5.846 237 HB3 ARG 36 2HB ARG 36 8.496 0.494 5.459 238 HG2 ARG 36 1HG ARG 36 6.369 1.682 6.238 239 HG3 ARG 36 2HG ARG 36 5.922 0.129 6.947 240 HD2 ARG 36 1HD ARG 36 7.044 1.603 8.563 241 HD3 ARG 36 2HD ARG 36 7.951 0.119 8.273 242 HE ARG 36 HE ARG 36 8.754 2.371 6.653 243 HH11 ARG 36 2HH1 ARG 36 9.232 0.612 9.619 244 HH12 ARG 36 1HH1 ARG 36 10.843 1.201 9.862 245 HH21 ARG 36 2HH2 ARG 36 10.875 3.154 6.962 246 HH22 ARG 36 1HH2 ARG 36 11.776 2.647 8.350 247 H GLY 37 H GLY 37 9.103 0.614 3.174 248 HA2 GLY 37 1HA GLY 37 10.307 -1.615 2.387 249 HA3 GLY 37 2HA GLY 37 9.030 -1.518 1.183 250 H THR 38 H THR 38 11.623 -1.515 0.363 251 HA THR 38 HA THR 38 11.776 0.991 -1.030 252 HB THR 38 HB THR 38 14.077 0.282 0.798 253 HG1 THR 38 HG1 THR 38 13.402 2.325 1.809 254 HG21 THR 38 3HG2 THR 38 13.717 2.869 -0.669 255 HG22 THR 38 1HG2 THR 38 14.440 1.480 -1.478 256 HG23 THR 38 2HG2 THR 38 15.192 2.146 -0.029 257 HA PRO 39 HA PRO 39 12.436 1.800 -2.720 258 HB2 PRO 39 1HB PRO 39 11.570 1.363 -5.256 259 HB3 PRO 39 2HB PRO 39 13.251 1.750 -4.868 260 HG2 PRO 39 1HG PRO 39 11.999 -0.913 -5.420 261 HG3 PRO 39 2HG PRO 39 13.547 -0.265 -5.992 262 HD2 PRO 39 1HD PRO 39 13.370 -2.004 -3.924 263 HD3 PRO 39 2HD PRO 39 14.624 -0.751 -4.013 264 H VAL 40 H VAL 40 10.250 2.568 -3.469 265 HA VAL 40 HA VAL 40 8.204 1.475 -1.992 266 HB VAL 40 HB VAL 40 7.972 3.084 -4.539 267 HG11 VAL 40 1HG1 VAL 40 5.917 2.399 -2.445 268 HG12 VAL 40 2HG1 VAL 40 5.719 3.689 -3.633 269 HG13 VAL 40 3HG1 VAL 40 5.872 2.014 -4.166 270 HG21 VAL 40 3HG2 VAL 40 8.362 3.767 -1.666 271 HG22 VAL 40 1HG2 VAL 40 9.064 4.502 -3.108 272 HG23 VAL 40 2HG2 VAL 40 7.390 4.845 -2.669 273 HA PRO 41 HA PRO 41 7.276 -2.236 -4.270 274 HB2 PRO 41 1HB PRO 41 5.182 -3.001 -2.721 275 HB3 PRO 41 2HB PRO 41 6.867 -3.200 -2.225 276 HG2 PRO 41 1HG PRO 41 4.907 -1.068 -1.466 277 HG3 PRO 41 2HG PRO 41 6.065 -1.939 -0.443 278 HD2 PRO 41 1HD PRO 41 6.533 0.562 -1.369 279 HD3 PRO 41 2HD PRO 41 7.834 -0.616 -1.102 280 H ARG 42 H ARG 42 5.726 -2.924 -5.739 281 HA ARG 42 HA ARG 42 4.085 -0.922 -6.888 282 HB2 ARG 42 1HB ARG 42 4.571 -3.823 -7.383 283 HB3 ARG 42 2HB ARG 42 3.145 -3.087 -8.103 284 HG2 ARG 42 1HG ARG 42 4.882 -3.003 -9.714 285 HG3 ARG 42 2HG ARG 42 4.647 -1.362 -9.111 286 HD2 ARG 42 1HD ARG 42 7.008 -1.824 -9.273 287 HD3 ARG 42 2HD ARG 42 6.553 -1.692 -7.575 288 HE ARG 42 HE ARG 42 6.392 -4.368 -8.164 289 HH11 ARG 42 2HH1 ARG 42 8.861 -1.916 -8.294 290 HH12 ARG 42 1HH1 ARG 42 10.160 -3.025 -8.003 291 HH21 ARG 42 2HH2 ARG 42 8.094 -5.837 -7.780 292 HH22 ARG 42 1HH2 ARG 42 9.723 -5.255 -7.712 293 H ILE 43 H ILE 43 2.060 -0.345 -6.453 294 HA ILE 43 HA ILE 43 0.530 -1.968 -4.548 295 HB ILE 43 HB ILE 43 -0.050 0.858 -5.429 296 HG12 ILE 43 1HG1 ILE 43 2.132 0.821 -4.367 297 HG13 ILE 43 2HG1 ILE 43 0.961 1.531 -3.261 298 HG21 ILE 43 1HG2 ILE 43 -0.946 0.132 -2.797 299 HG22 ILE 43 2HG2 ILE 43 -1.877 0.720 -4.174 300 HG23 ILE 43 3HG2 ILE 43 -1.565 -1.006 -3.994 301 HD11 ILE 43 3HD1 ILE 43 0.804 -0.953 -2.393 302 HD12 ILE 43 1HD1 ILE 43 2.423 -1.040 -3.087 303 HD13 ILE 43 2HD1 ILE 43 2.062 0.150 -1.836 304 H THR 44 H THR 44 -0.835 -3.353 -5.458 305 HA THR 44 HA THR 44 -2.535 -2.398 -7.657 306 HB THR 44 HB THR 44 -1.188 -5.102 -7.533 307 HG1 THR 44 HG1 THR 44 -0.088 -3.073 -8.378 308 HG21 THR 44 3HG2 THR 44 -3.168 -4.021 -9.542 309 HG22 THR 44 1HG2 THR 44 -3.487 -5.289 -8.360 310 HG23 THR 44 2HG2 THR 44 -2.321 -5.564 -9.654 311 H TRP 45 H TRP 45 -4.578 -2.463 -7.017 312 HA TRP 45 HA TRP 45 -5.373 -4.313 -4.901 313 HB2 TRP 45 1HB TRP 45 -6.889 -2.020 -6.168 314 HB3 TRP 45 2HB TRP 45 -7.434 -2.971 -4.789 315 HD1 TRP 45 HD1 TRP 45 -4.498 -0.608 -5.707 316 HE1 TRP 45 HE1 TRP 45 -3.782 0.631 -3.568 317 HE3 TRP 45 HE3 TRP 45 -7.604 -2.906 -2.360 318 HZ2 TRP 45 HZ2 TRP 45 -4.446 0.634 -0.824 319 HZ3 TRP 45 HZ3 TRP 45 -7.501 -2.228 0.003 320 HH2 TRP 45 HH2 TRP 45 -5.953 -0.495 0.753 321 H LEU 46 H LEU 46 -6.939 -5.868 -5.129 322 HA LEU 46 HA LEU 46 -8.166 -6.214 -7.768 323 HB2 LEU 46 1HB LEU 46 -7.109 -8.614 -6.351 324 HB3 LEU 46 2HB LEU 46 -7.448 -8.382 -8.065 325 HG LEU 46 HG LEU 46 -5.411 -6.698 -7.865 326 HD11 LEU 46 1HD1 LEU 46 -5.404 -8.059 -5.340 327 HD12 LEU 46 2HD1 LEU 46 -4.360 -6.760 -5.915 328 HD13 LEU 46 3HD1 LEU 46 -3.937 -8.440 -6.242 329 HD21 LEU 46 3HD2 LEU 46 -4.637 -9.567 -7.905 330 HD22 LEU 46 1HD2 LEU 46 -4.189 -8.257 -8.998 331 HD23 LEU 46 2HD2 LEU 46 -5.787 -8.995 -9.113 332 H LEU 47 H LEU 47 -10.138 -7.312 -7.768 333 HA LEU 47 HA LEU 47 -11.446 -7.403 -5.158 334 HB2 LEU 47 1HB LEU 47 -12.420 -6.141 -7.099 335 HB3 LEU 47 2HB LEU 47 -12.696 -7.696 -7.882 336 HG LEU 47 HG LEU 47 -14.283 -8.330 -6.195 337 HD11 LEU 47 1HD1 LEU 47 -13.519 -5.755 -4.829 338 HD12 LEU 47 2HD1 LEU 47 -13.251 -7.394 -4.237 339 HD13 LEU 47 3HD1 LEU 47 -14.892 -6.765 -4.376 340 HD21 LEU 47 3HD2 LEU 47 -15.988 -6.582 -6.510 341 HD22 LEU 47 1HD2 LEU 47 -15.152 -6.983 -8.010 342 HD23 LEU 47 2HD2 LEU 47 -14.744 -5.503 -7.142 343 H ASN 48 H ASN 48 -10.648 -9.353 -4.346 344 HA ASN 48 HA ASN 48 -10.297 -11.637 -4.241 345 HB2 ASN 48 1HB ASN 48 -12.443 -12.829 -4.083 346 HB3 ASN 48 2HB ASN 48 -12.512 -11.275 -3.257 347 HD21 ASN 48 1HD2 ASN 48 -13.805 -9.654 -4.059 348 HD22 ASN 48 2HD2 ASN 48 -14.983 -9.923 -5.295 349 H GLY 49 H GLY 49 -9.471 -10.827 -6.740 350 HA2 GLY 49 1HA GLY 49 -9.384 -13.176 -8.195 351 HA3 GLY 49 2HA GLY 49 -10.735 -12.264 -8.851 352 H GLN 50 H GLN 50 -10.349 -10.653 -10.269 353 HA GLN 50 HA GLN 50 -7.595 -10.296 -11.132 354 HB2 GLN 50 1HB GLN 50 -10.265 -9.549 -12.299 355 HB3 GLN 50 2HB GLN 50 -8.767 -8.902 -12.956 356 HG2 GLN 50 1HG GLN 50 -9.131 -11.849 -12.616 357 HG3 GLN 50 2HG GLN 50 -9.805 -11.011 -14.013 358 HE21 GLN 50 1HE2 GLN 50 -6.907 -12.012 -12.388 359 HE22 GLN 50 2HE2 GLN 50 -5.821 -11.700 -13.695 360 HA PRO 51 HA PRO 51 -6.929 -6.345 -9.347 361 HB2 PRO 51 1HB PRO 51 -5.459 -5.115 -11.270 362 HB3 PRO 51 2HB PRO 51 -4.819 -6.413 -10.255 363 HG2 PRO 51 1HG PRO 51 -5.885 -6.544 -13.050 364 HG3 PRO 51 2HG PRO 51 -4.449 -7.326 -12.362 365 HD2 PRO 51 1HD PRO 51 -6.786 -8.642 -12.738 366 HD3 PRO 51 2HD PRO 51 -5.679 -9.024 -11.404 367 H ILE 52 H ILE 52 -7.648 -4.216 -9.339 368 HA ILE 52 HA ILE 52 -9.940 -3.672 -10.971 369 HB ILE 52 HB ILE 52 -8.518 -1.933 -8.954 370 HG12 ILE 52 1HG1 ILE 52 -11.137 -3.414 -8.681 371 HG13 ILE 52 2HG1 ILE 52 -9.596 -4.074 -8.144 372 HG21 ILE 52 1HG2 ILE 52 -9.706 -0.507 -10.456 373 HG22 ILE 52 2HG2 ILE 52 -11.130 -1.545 -10.401 374 HG23 ILE 52 3HG2 ILE 52 -10.650 -0.629 -8.972 375 HD11 ILE 52 3HD1 ILE 52 -9.597 -1.638 -6.939 376 HD12 ILE 52 1HD1 ILE 52 -11.310 -2.056 -6.916 377 HD13 ILE 52 2HD1 ILE 52 -10.127 -3.143 -6.189 378 H GLN 53 H GLN 53 -10.228 -1.969 -12.438 379 HA GLN 53 HA GLN 53 -7.728 -0.995 -13.647 380 HB2 GLN 53 1HB GLN 53 -10.434 -1.209 -14.970 381 HB3 GLN 53 2HB GLN 53 -8.897 -0.859 -15.748 382 HG2 GLN 53 1HG GLN 53 -8.133 -3.139 -15.002 383 HG3 GLN 53 2HG GLN 53 -9.805 -3.454 -14.540 384 HE21 GLN 53 1HE2 GLN 53 -11.191 -4.123 -16.047 385 HE22 GLN 53 2HE2 GLN 53 -10.857 -4.208 -17.740 386 H TYR 54 H TYR 54 -10.793 -0.069 -12.303 387 HA TYR 54 HA TYR 54 -10.304 2.741 -13.004 388 HB2 TYR 54 1HB TYR 54 -12.703 2.952 -11.995 389 HB3 TYR 54 2HB TYR 54 -12.497 2.280 -13.609 390 HD1 TYR 54 HD1 TYR 54 -13.346 1.531 -10.122 391 HD2 TYR 54 HD2 TYR 54 -12.905 -0.070 -14.040 392 HE1 TYR 54 HE1 TYR 54 -14.547 -0.498 -9.422 393 HE2 TYR 54 HE2 TYR 54 -14.106 -2.103 -13.350 394 HH TYR 54 HH TYR 54 -15.852 -2.314 -10.454 395 H ALA 55 H ALA 55 -8.720 1.455 -11.006 396 HA ALA 55 HA ALA 55 -9.726 2.593 -8.496 397 HB1 ALA 55 3HB ALA 55 -7.307 1.299 -7.986 398 HB2 ALA 55 1HB ALA 55 -8.931 0.703 -7.643 399 HB3 ALA 55 2HB ALA 55 -8.140 0.283 -9.162 400 H ARG 56 H ARG 56 -9.130 4.610 -8.076 401 HA ARG 56 HA ARG 56 -6.692 5.694 -9.242 402 HB2 ARG 56 1HB ARG 56 -9.018 6.929 -7.779 403 HB3 ARG 56 2HB ARG 56 -7.562 7.841 -8.154 404 HG2 ARG 56 1HG ARG 56 -7.908 7.540 -10.508 405 HG3 ARG 56 2HG ARG 56 -9.264 6.450 -10.209 406 HD2 ARG 56 1HD ARG 56 -10.015 8.701 -10.829 407 HD3 ARG 56 2HD ARG 56 -10.528 8.261 -9.201 408 HE ARG 56 HE ARG 56 -8.061 9.701 -9.214 409 HH11 ARG 56 2HH1 ARG 56 -11.522 10.040 -9.377 410 HH12 ARG 56 1HH1 ARG 56 -11.524 11.652 -8.745 411 HH21 ARG 56 2HH2 ARG 56 -8.051 11.824 -8.380 412 HH22 ARG 56 1HH2 ARG 56 -9.550 12.667 -8.179 413 H SER 57 H SER 57 -6.083 3.777 -7.403 414 HA SER 57 HA SER 57 -5.795 4.471 -4.752 415 HB2 SER 57 1HB SER 57 -3.988 2.862 -4.643 416 HB3 SER 57 2HB SER 57 -5.221 2.251 -5.746 417 HG SER 57 HG SER 57 -3.746 3.483 -7.354 418 H THR 58 H THR 58 -4.072 5.361 -3.530 419 HA THR 58 HA THR 58 -2.076 6.929 -4.979 420 HB THR 58 HB THR 58 -2.567 8.897 -3.447 421 HG1 THR 58 HG1 THR 58 -4.477 8.932 -2.382 422 HG21 THR 58 3HG2 THR 58 -3.417 8.359 -5.949 423 HG22 THR 58 1HG2 THR 58 -3.759 9.871 -5.109 424 HG23 THR 58 2HG2 THR 58 -4.967 8.587 -5.139 425 H CYS 59 H CYS 59 -0.204 6.300 -4.141 426 HA CYS 59 HA CYS 59 -0.074 5.569 -1.305 427 HB2 CYS 59 1HB CYS 59 2.097 4.528 -1.893 428 HB3 CYS 59 2HB CYS 59 0.759 3.877 -2.833 429 HG CYS 59 HG CYS 59 2.687 3.964 -4.693 430 H GLU 60 H GLU 60 0.486 7.165 0.015 431 HA GLU 60 HA GLU 60 2.675 8.952 -0.809 432 HB2 GLU 60 1HB GLU 60 1.520 10.757 0.516 433 HB3 GLU 60 2HB GLU 60 0.716 10.292 -0.977 434 HG2 GLU 60 1HG GLU 60 -1.057 9.359 0.099 435 HG3 GLU 60 2HG GLU 60 -0.111 8.928 1.522 436 H ALA 61 H ALA 61 4.256 9.265 0.657 437 HA ALA 61 HA ALA 61 5.578 8.760 2.453 438 HB1 ALA 61 3HB ALA 61 3.027 9.496 3.883 439 HB2 ALA 61 1HB ALA 61 4.627 9.423 4.621 440 HB3 ALA 61 2HB ALA 61 4.292 10.607 3.356 441 H GLY 62 H GLY 62 4.597 6.449 1.308 442 HA2 GLY 62 1HA GLY 62 4.473 4.200 1.763 443 HA3 GLY 62 2HA GLY 62 4.922 4.588 3.418 444 H VAL 63 H VAL 63 2.084 5.869 1.798 445 HA VAL 63 HA VAL 63 0.396 4.168 3.513 446 HB VAL 63 HB VAL 63 -0.118 7.072 2.855 447 HG11 VAL 63 1HG1 VAL 63 -1.676 6.172 5.023 448 HG12 VAL 63 2HG1 VAL 63 -2.225 6.653 3.417 449 HG13 VAL 63 3HG1 VAL 63 -1.833 4.965 3.747 450 HG21 VAL 63 3HG2 VAL 63 0.615 7.669 4.959 451 HG22 VAL 63 1HG2 VAL 63 0.403 6.044 5.610 452 HG23 VAL 63 2HG2 VAL 63 1.761 6.395 4.540 453 H ALA 64 H ALA 64 -0.436 2.764 2.072 454 HA ALA 64 HA ALA 64 -1.220 3.589 -0.580 455 HB1 ALA 64 3HB ALA 64 -0.260 1.404 -0.328 456 HB2 ALA 64 1HB ALA 64 -1.483 0.955 0.861 457 HB3 ALA 64 2HB ALA 64 -1.944 1.225 -0.820 458 H GLU 65 H GLU 65 -3.150 4.337 -1.152 459 HA GLU 65 HA GLU 65 -5.472 3.705 0.543 460 HB2 GLU 65 1HB GLU 65 -4.956 6.387 -0.750 461 HB3 GLU 65 2HB GLU 65 -6.305 5.964 0.295 462 HG2 GLU 65 1HG GLU 65 -4.431 5.422 2.022 463 HG3 GLU 65 2HG GLU 65 -3.455 6.470 0.995 464 H LEU 66 H LEU 66 -7.433 3.441 -0.508 465 HA LEU 66 HA LEU 66 -7.395 3.583 -3.443 466 HB2 LEU 66 1HB LEU 66 -6.985 1.267 -2.745 467 HB3 LEU 66 2HB LEU 66 -8.476 1.293 -1.805 468 HG LEU 66 HG LEU 66 -9.599 1.805 -4.096 469 HD11 LEU 66 1HD1 LEU 66 -6.857 1.375 -4.859 470 HD12 LEU 66 2HD1 LEU 66 -8.224 1.914 -5.833 471 HD13 LEU 66 3HD1 LEU 66 -7.917 0.191 -5.623 472 HD21 LEU 66 3HD2 LEU 66 -10.289 -0.176 -3.220 473 HD22 LEU 66 1HD2 LEU 66 -8.646 -0.758 -2.950 474 HD23 LEU 66 2HD2 LEU 66 -9.340 -0.798 -4.572 475 H HIS 67 H HIS 67 -8.789 5.216 -3.773 476 HA HIS 67 HA HIS 67 -11.137 5.584 -2.156 477 HB2 HIS 67 1HB HIS 67 -10.242 6.952 -4.702 478 HB3 HIS 67 2HB HIS 67 -11.623 7.448 -3.728 479 HD1 HIS 67 HD1 HIS 67 -11.112 9.281 -2.163 480 HD2 HIS 67 HD2 HIS 67 -7.750 6.983 -2.983 481 HE1 HIS 67 HE1 HIS 67 -9.227 10.377 -0.910 482 HE2 HIS 67 HE2 HIS 67 -7.187 9.018 -1.490 483 H ILE 68 H ILE 68 -13.047 4.655 -2.448 484 HA ILE 68 HA ILE 68 -13.714 3.618 -5.125 485 HB ILE 68 HB ILE 68 -14.457 2.352 -2.485 486 HG12 ILE 68 1HG1 ILE 68 -12.044 2.128 -3.148 487 HG13 ILE 68 2HG1 ILE 68 -12.907 0.598 -3.028 488 HG21 ILE 68 1HG2 ILE 68 -16.174 2.036 -4.166 489 HG22 ILE 68 2HG2 ILE 68 -14.969 1.472 -5.323 490 HG23 ILE 68 3HG2 ILE 68 -15.320 0.519 -3.882 491 HD11 ILE 68 3HD1 ILE 68 -11.433 0.679 -4.971 492 HD12 ILE 68 1HD1 ILE 68 -13.125 0.508 -5.438 493 HD13 ILE 68 2HD1 ILE 68 -12.323 2.072 -5.584 494 H GLN 69 H GLN 69 -15.160 5.060 -5.866 495 HA GLN 69 HA GLN 69 -17.229 6.084 -4.079 496 HB2 GLN 69 1HB GLN 69 -17.736 7.669 -5.842 497 HB3 GLN 69 2HB GLN 69 -16.006 7.667 -5.529 498 HG2 GLN 69 1HG GLN 69 -15.575 6.401 -7.502 499 HG3 GLN 69 2HG GLN 69 -17.296 6.126 -7.764 500 HE21 GLN 69 1HE2 GLN 69 -18.503 8.408 -7.640 501 HE22 GLN 69 2HE2 GLN 69 -17.853 9.578 -8.733 502 H ASP 70 H ASP 70 -19.471 6.051 -4.704 503 HA ASP 70 HA ASP 70 -21.383 5.024 -5.384 504 HB2 ASP 70 1HB ASP 70 -20.305 5.563 -7.652 505 HB3 ASP 70 2HB ASP 70 -19.844 3.863 -7.700 506 H ALA 71 H ALA 71 -20.172 3.722 -3.405 507 HA ALA 71 HA ALA 71 -19.321 1.119 -3.728 508 HB1 ALA 71 3HB ALA 71 -19.289 2.318 -1.590 509 HB2 ALA 71 1HB ALA 71 -21.044 2.175 -1.488 510 HB3 ALA 71 2HB ALA 71 -20.035 0.728 -1.437 511 H LEU 72 H LEU 72 -20.296 -0.306 -5.038 512 HA LEU 72 HA LEU 72 -23.205 -0.523 -5.051 513 HB2 LEU 72 1HB LEU 72 -21.018 -1.614 -6.784 514 HB3 LEU 72 2HB LEU 72 -22.654 -2.266 -6.867 515 HG LEU 72 HG LEU 72 -22.105 0.661 -7.264 516 HD11 LEU 72 1HD1 LEU 72 -21.873 -1.581 -9.246 517 HD12 LEU 72 2HD1 LEU 72 -20.734 -0.276 -8.917 518 HD13 LEU 72 3HD1 LEU 72 -22.256 0.069 -9.737 519 HD21 LEU 72 3HD2 LEU 72 -24.204 0.402 -8.641 520 HD22 LEU 72 1HD2 LEU 72 -24.396 0.192 -6.901 521 HD23 LEU 72 2HD2 LEU 72 -24.351 -1.218 -7.959 522 HA PRO 73 HA PRO 73 -23.454 -4.130 -2.564 523 HB2 PRO 73 1HB PRO 73 -25.452 -5.505 -3.784 524 HB3 PRO 73 2HB PRO 73 -25.732 -4.034 -2.844 525 HG2 PRO 73 1HG PRO 73 -25.513 -4.374 -5.810 526 HG3 PRO 73 2HG PRO 73 -26.665 -3.400 -4.878 527 HD2 PRO 73 1HD PRO 73 -24.497 -2.325 -6.093 528 HD3 PRO 73 2HD PRO 73 -25.160 -1.680 -4.578 529 H GLU 74 H GLU 74 -22.432 -4.281 -5.778 530 HA GLU 74 HA GLU 74 -21.970 -7.170 -5.708 531 HB2 GLU 74 1HB GLU 74 -21.581 -7.075 -8.024 532 HB3 GLU 74 2HB GLU 74 -22.907 -5.954 -7.752 533 HG2 GLU 74 1HG GLU 74 -21.378 -4.077 -7.856 534 HG3 GLU 74 2HG GLU 74 -20.015 -5.177 -8.052 535 H ASP 75 H ASP 75 -20.459 -4.514 -4.592 536 HA ASP 75 HA ASP 75 -17.757 -5.281 -5.383 537 HB2 ASP 75 1HB ASP 75 -18.965 -2.904 -4.025 538 HB3 ASP 75 2HB ASP 75 -17.254 -3.246 -3.786 539 H HIS 76 H HIS 76 -19.958 -5.625 -2.758 540 HA HIS 76 HA HIS 76 -18.321 -5.906 -0.559 541 HB2 HIS 76 1HB HIS 76 -20.593 -6.038 -0.079 542 HB3 HIS 76 2HB HIS 76 -20.900 -7.204 -1.363 543 HD1 HIS 76 HD1 HIS 76 -22.056 -8.875 0.196 544 HD2 HIS 76 HD2 HIS 76 -18.166 -7.955 1.328 545 HE1 HIS 76 HE1 HIS 76 -21.451 -10.565 1.957 546 HE2 HIS 76 HE2 HIS 76 -19.124 -9.936 2.687 547 H GLY 77 H GLY 77 -16.389 -6.917 -0.745 548 HA2 GLY 77 1HA GLY 77 -16.414 -9.800 -0.918 549 HA3 GLY 77 2HA GLY 77 -15.599 -9.016 -2.263 550 H THR 78 H THR 78 -13.515 -9.536 -1.884 551 HA THR 78 HA THR 78 -12.351 -8.553 0.635 552 HB THR 78 HB THR 78 -11.511 -11.090 -0.780 553 HG1 THR 78 HG1 THR 78 -12.464 -12.132 0.996 554 HG21 THR 78 3HG2 THR 78 -10.656 -10.594 1.981 555 HG22 THR 78 1HG2 THR 78 -9.983 -9.471 0.801 556 HG23 THR 78 2HG2 THR 78 -9.741 -11.207 0.605 557 H TYR 79 H TYR 79 -11.227 -6.811 0.022 558 HA TYR 79 HA TYR 79 -9.953 -6.636 -2.551 559 HB2 TYR 79 1HB TYR 79 -10.094 -4.810 -0.161 560 HB3 TYR 79 2HB TYR 79 -9.063 -4.445 -1.540 561 HD1 TYR 79 HD2 TYR 79 -12.567 -4.947 -0.476 562 HD2 TYR 79 HD1 TYR 79 -9.971 -3.576 -3.556 563 HE1 TYR 79 HE2 TYR 79 -14.485 -3.932 -1.633 564 HE2 TYR 79 HE1 TYR 79 -11.882 -2.556 -4.721 565 HH TYR 79 HH TYR 79 -14.348 -2.856 -4.824 566 H THR 80 H THR 80 -7.921 -7.136 -3.054 567 HA THR 80 HA THR 80 -6.066 -7.769 -0.853 568 HB THR 80 HB THR 80 -6.076 -8.904 -3.657 569 HG1 THR 80 HG1 THR 80 -6.557 -10.871 -2.310 570 HG21 THR 80 3HG2 THR 80 -4.397 -10.483 -2.715 571 HG22 THR 80 1HG2 THR 80 -4.352 -9.501 -1.252 572 HG23 THR 80 2HG2 THR 80 -3.829 -8.816 -2.790 573 H CYS 81 H CYS 81 -4.402 -6.437 -0.633 574 HA CYS 81 HA CYS 81 -3.588 -4.803 -2.938 575 HB2 CYS 81 1HB CYS 81 -4.397 -3.741 -0.726 576 HB3 CYS 81 2HB CYS 81 -2.837 -4.236 -0.081 577 HG CYS 81 HG CYS 81 -2.955 -2.368 -2.920 578 H LEU 82 H LEU 82 -2.021 -5.922 -3.961 579 HA LEU 82 HA LEU 82 0.009 -7.355 -2.478 580 HB2 LEU 82 1HB LEU 82 -0.561 -8.493 -4.400 581 HB3 LEU 82 2HB LEU 82 -0.696 -7.019 -5.357 582 HG LEU 82 HG LEU 82 1.723 -6.841 -5.470 583 HD11 LEU 82 1HD1 LEU 82 3.177 -8.029 -4.234 584 HD12 LEU 82 2HD1 LEU 82 2.217 -9.506 -4.330 585 HD13 LEU 82 3HD1 LEU 82 1.790 -8.251 -3.167 586 HD21 LEU 82 3HD2 LEU 82 1.959 -9.404 -6.416 587 HD22 LEU 82 1HD2 LEU 82 1.314 -8.031 -7.316 588 HD23 LEU 82 2HD2 LEU 82 0.217 -9.128 -6.476 589 H ALA 83 H ALA 83 2.039 -6.699 -2.069 590 HA ALA 83 HA ALA 83 3.049 -4.287 -3.399 591 HB1 ALA 83 3HB ALA 83 2.920 -3.038 -1.572 592 HB2 ALA 83 1HB ALA 83 2.145 -4.372 -0.716 593 HB3 ALA 83 2HB ALA 83 3.901 -4.207 -0.688 594 H GLU 84 H GLU 84 4.760 -5.085 -4.458 595 HA GLU 84 HA GLU 84 6.780 -6.529 -2.888 596 HB2 GLU 84 1HB GLU 84 7.196 -8.080 -4.671 597 HB3 GLU 84 2HB GLU 84 5.477 -8.121 -4.304 598 HG2 GLU 84 1HG GLU 84 4.997 -6.745 -6.233 599 HG3 GLU 84 2HG GLU 84 6.718 -6.593 -6.581 600 H ASN 85 H ASN 85 8.943 -6.268 -3.609 601 HA ASN 85 HA ASN 85 9.413 -4.249 -5.671 602 HB2 ASN 85 1HB ASN 85 10.841 -2.914 -4.254 603 HB3 ASN 85 2HB ASN 85 9.273 -3.076 -3.469 604 HD21 ASN 85 1HD2 ASN 85 10.735 -2.373 -1.655 605 HD22 ASN 85 2HD2 ASN 85 11.473 -3.626 -0.723 606 H ALA 86 H ALA 86 12.041 -3.910 -5.586 607 HA ALA 86 HA ALA 86 13.092 -6.287 -6.648 608 HB1 ALA 86 3HB ALA 86 14.169 -3.616 -5.962 609 HB2 ALA 86 1HB ALA 86 15.333 -4.926 -6.162 610 HB3 ALA 86 2HB ALA 86 14.235 -4.513 -7.479 611 H LEU 87 H LEU 87 12.796 -5.211 -3.414 612 HA LEU 87 HA LEU 87 14.944 -6.870 -2.396 613 HB2 LEU 87 1HB LEU 87 13.009 -4.930 -1.249 614 HB3 LEU 87 2HB LEU 87 13.683 -6.154 -0.174 615 HG LEU 87 HG LEU 87 14.797 -3.804 -0.358 616 HD11 LEU 87 1HD1 LEU 87 16.338 -6.392 -0.427 617 HD12 LEU 87 2HD1 LEU 87 15.688 -5.580 0.996 618 HD13 LEU 87 3HD1 LEU 87 17.001 -4.839 0.082 619 HD21 LEU 87 3HD2 LEU 87 16.407 -3.522 -2.055 620 HD22 LEU 87 1HD2 LEU 87 14.931 -4.020 -2.882 621 HD23 LEU 87 2HD2 LEU 87 16.227 -5.186 -2.614 622 H GLY 88 H GLY 88 11.563 -6.676 -1.304 623 HA2 GLY 88 1HA GLY 88 11.447 -9.623 -1.452 624 HA3 GLY 88 2HA GLY 88 10.900 -8.758 -0.024 625 H GLN 89 H GLN 89 8.914 -10.029 -0.545 626 HA GLN 89 HA GLN 89 7.108 -8.340 -2.075 627 HB2 GLN 89 1HB GLN 89 6.179 -10.181 -3.363 628 HB3 GLN 89 2HB GLN 89 7.896 -10.012 -3.703 629 HG2 GLN 89 1HG GLN 89 8.424 -11.904 -2.351 630 HG3 GLN 89 2HG GLN 89 6.768 -12.004 -1.754 631 HE21 GLN 89 1HE2 GLN 89 5.257 -11.807 -3.945 632 HE22 GLN 89 2HE2 GLN 89 5.580 -13.100 -5.044 633 H VAL 90 H VAL 90 5.183 -8.150 -1.104 634 HA VAL 90 HA VAL 90 4.257 -10.247 0.709 635 HB VAL 90 HB VAL 90 3.836 -8.762 2.539 636 HG11 VAL 90 1HG1 VAL 90 6.070 -9.725 2.451 637 HG12 VAL 90 2HG1 VAL 90 6.642 -8.346 1.511 638 HG13 VAL 90 3HG1 VAL 90 6.113 -8.120 3.179 639 HG21 VAL 90 3HG2 VAL 90 4.162 -6.723 0.517 640 HG22 VAL 90 1HG2 VAL 90 3.388 -6.626 2.098 641 HG23 VAL 90 2HG2 VAL 90 5.126 -6.366 1.950 642 H SER 91 H SER 91 1.996 -10.009 1.312 643 HA SER 91 HA SER 91 0.418 -8.112 -0.228 644 HB2 SER 91 1HB SER 91 -1.065 -10.133 -0.950 645 HB3 SER 91 2HB SER 91 0.395 -9.770 -1.870 646 HG SER 91 HG SER 91 0.581 -11.528 0.298 647 H CYS 92 H CYS 92 -1.732 -7.884 0.519 648 HA CYS 92 HA CYS 92 -2.416 -9.329 2.975 649 HB2 CYS 92 1HB CYS 92 -2.831 -7.391 4.231 650 HB3 CYS 92 2HB CYS 92 -1.309 -7.048 3.417 651 HG CYS 92 HG CYS 92 -4.379 -5.711 2.822 652 H SER 93 H SER 93 -4.697 -9.117 3.571 653 HA SER 93 HA SER 93 -6.399 -8.563 1.228 654 HB2 SER 93 1HB SER 93 -7.895 -10.383 2.075 655 HB3 SER 93 2HB SER 93 -6.306 -10.955 1.567 656 HG SER 93 HG SER 93 -6.224 -11.794 3.488 657 H ALA 94 H ALA 94 -8.774 -8.316 1.924 658 HA ALA 94 HA ALA 94 -9.142 -7.132 4.547 659 HB1 ALA 94 3HB ALA 94 -9.853 -4.978 3.767 660 HB2 ALA 94 1HB ALA 94 -8.237 -5.295 3.137 661 HB3 ALA 94 2HB ALA 94 -9.643 -5.466 2.086 662 H TRP 95 H TRP 95 -11.466 -6.344 4.786 663 HA TRP 95 HA TRP 95 -13.304 -7.892 3.097 664 HB2 TRP 95 1HB TRP 95 -12.799 -9.141 5.208 665 HB3 TRP 95 2HB TRP 95 -13.473 -7.789 6.115 666 HD1 TRP 95 HD1 TRP 95 -16.143 -7.410 5.945 667 HE1 TRP 95 HE1 TRP 95 -18.049 -9.041 5.368 668 HE3 TRP 95 HE3 TRP 95 -13.394 -11.141 3.787 669 HZ2 TRP 95 HZ2 TRP 95 -18.348 -11.574 4.159 670 HZ3 TRP 95 HZ3 TRP 95 -14.566 -13.134 2.946 671 HH2 TRP 95 HH2 TRP 95 -16.992 -13.344 3.129 672 H VAL 96 H VAL 96 -14.364 -6.273 2.109 673 HA VAL 96 HA VAL 96 -15.352 -4.036 3.740 674 HB VAL 96 HB VAL 96 -15.214 -4.234 0.729 675 HG11 VAL 96 1HG1 VAL 96 -16.048 -2.116 0.604 676 HG12 VAL 96 2HG1 VAL 96 -16.872 -2.656 2.069 677 HG13 VAL 96 3HG1 VAL 96 -15.422 -1.657 2.187 678 HG21 VAL 96 3HG2 VAL 96 -12.977 -4.185 1.443 679 HG22 VAL 96 1HG2 VAL 96 -13.366 -2.507 1.068 680 HG23 VAL 96 2HG2 VAL 96 -13.327 -3.049 2.745 681 H THR 97 H THR 97 -17.468 -3.758 4.095 682 HA THR 97 HA THR 97 -19.337 -5.563 2.703 683 HB THR 97 HB THR 97 -20.804 -4.944 4.807 684 HG1 THR 97 HG1 THR 97 -19.578 -4.512 6.620 685 HG21 THR 97 3HG2 THR 97 -19.523 -6.868 6.043 686 HG22 THR 97 1HG2 THR 97 -18.629 -6.974 4.527 687 HG23 THR 97 2HG2 THR 97 -20.379 -7.197 4.536 688 H VAL 98 H VAL 98 -21.193 -4.752 1.819 689 HA VAL 98 HA VAL 98 -21.549 -1.828 1.944 690 HB VAL 98 HB VAL 98 -22.130 -3.575 -0.450 691 HG11 VAL 98 1HG1 VAL 98 -22.923 -1.739 -1.518 692 HG12 VAL 98 2HG1 VAL 98 -23.309 -1.246 0.132 693 HG13 VAL 98 3HG1 VAL 98 -21.852 -0.637 -0.654 694 HG21 VAL 98 3HG2 VAL 98 -20.170 -2.594 -1.485 695 HG22 VAL 98 1HG2 VAL 98 -19.845 -1.650 -0.031 696 HG23 VAL 98 2HG2 VAL 98 -19.713 -3.408 0.011 697 H HIS 99 H HIS 99 -23.256 -1.579 3.265 698 HA HIS 99 HA HIS 99 -25.336 -3.330 3.733 699 HB2 HIS 99 1HB HIS 99 -25.456 -0.308 3.796 700 HB3 HIS 99 2HB HIS 99 -26.590 -1.396 4.590 701 HD1 HIS 99 HD1 HIS 99 -25.296 -3.097 6.385 702 HD2 HIS 99 HD2 HIS 99 -23.485 0.521 5.443 703 HE1 HIS 99 HE1 HIS 99 -23.658 -2.662 8.242 704 HE2 HIS 99 HE2 HIS 99 -22.635 -0.426 7.694 Start of MODEL 2 1 H1 GLY 1 H GLY 1 35.607 9.838 -2.549 2 HA2 GLY 1 1HA GLY 1 35.479 11.152 -0.361 3 HA3 GLY 1 2HA GLY 1 36.341 12.389 -1.264 4 H SER 2 H SER 2 33.501 10.301 -1.819 5 HA SER 2 HA SER 2 32.057 12.706 -2.725 6 HB2 SER 2 1HB SER 2 31.639 9.835 -3.592 7 HB3 SER 2 2HB SER 2 30.719 11.227 -4.163 8 HG SER 2 HG SER 2 33.502 11.304 -4.387 9 H SER 3 H SER 3 29.787 12.810 -2.260 10 HA SER 3 HA SER 3 29.130 12.249 0.386 11 HB2 SER 3 1HB SER 3 28.029 13.952 -1.120 12 HB3 SER 3 2HB SER 3 27.128 12.624 -1.849 13 HG SER 3 HG SER 3 25.871 13.468 -0.228 14 H GLY 4 H GLY 4 29.283 10.173 1.077 15 HA2 GLY 4 1HA GLY 4 28.005 8.044 -0.460 16 HA3 GLY 4 2HA GLY 4 29.036 7.835 0.948 17 H SER 5 H SER 5 26.009 7.375 -0.083 18 HA SER 5 HA SER 5 24.619 8.277 2.306 19 HB2 SER 5 1HB SER 5 23.733 8.198 -0.183 20 HB3 SER 5 2HB SER 5 23.321 6.538 0.247 21 HG SER 5 HG SER 5 22.264 7.539 2.144 22 H SER 6 H SER 6 25.370 5.207 0.682 23 HA SER 6 HA SER 6 25.414 3.055 1.424 24 HB2 SER 6 1HB SER 6 26.340 4.651 3.775 25 HB3 SER 6 2HB SER 6 26.022 2.931 4.002 26 HG SER 6 HG SER 6 27.397 2.879 1.899 27 H GLY 7 H GLY 7 22.867 4.516 1.493 28 HA2 GLY 7 1HA GLY 7 21.462 3.575 3.836 29 HA3 GLY 7 2HA GLY 7 20.757 4.408 2.458 30 H MET 8 H MET 8 21.573 1.335 3.848 31 HA MET 8 HA MET 8 21.150 -0.373 1.700 32 HB2 MET 8 1HB MET 8 20.628 -2.092 3.363 33 HB3 MET 8 2HB MET 8 22.013 -1.130 3.863 34 HG2 MET 8 1HG MET 8 20.551 0.168 5.349 35 HG3 MET 8 2HG MET 8 19.193 -0.849 4.874 36 HE1 MET 8 3HE MET 8 22.167 -0.715 7.668 37 HE2 MET 8 1HE MET 8 22.936 -2.197 7.100 38 HE3 MET 8 2HE MET 8 22.746 -0.828 6.005 39 H GLU 9 H GLU 9 19.378 -1.300 0.760 40 HA GLU 9 HA GLU 9 16.939 0.140 0.835 41 HB2 GLU 9 1HB GLU 9 17.808 -2.422 -0.471 42 HB3 GLU 9 2HB GLU 9 16.131 -1.900 -0.543 43 HG2 GLU 9 1HG GLU 9 16.584 -0.149 -1.925 44 HG3 GLU 9 2HG GLU 9 18.229 0.047 -1.322 45 H VAL 10 H VAL 10 14.839 -1.421 0.880 46 HA VAL 10 HA VAL 10 14.930 -3.114 3.263 47 HB VAL 10 HB VAL 10 13.285 -0.621 2.979 48 HG11 VAL 10 1HG1 VAL 10 12.609 -3.071 4.591 49 HG12 VAL 10 2HG1 VAL 10 11.952 -1.471 4.942 50 HG13 VAL 10 3HG1 VAL 10 11.609 -2.247 3.395 51 HG21 VAL 10 3HG2 VAL 10 14.328 -1.514 5.579 52 HG22 VAL 10 1HG2 VAL 10 15.551 -1.138 4.365 53 HG23 VAL 10 2HG2 VAL 10 14.363 0.081 4.828 54 H ALA 11 H ALA 11 13.164 -4.566 3.451 55 HA ALA 11 HA ALA 11 12.024 -5.294 0.889 56 HB1 ALA 11 3HB ALA 11 12.314 -7.328 1.724 57 HB2 ALA 11 1HB ALA 11 12.711 -6.661 3.308 58 HB3 ALA 11 2HB ALA 11 11.031 -7.001 2.890 59 HA PRO 12 HA PRO 12 7.951 -3.760 1.444 60 HB2 PRO 12 1HB PRO 12 6.412 -5.791 0.507 61 HB3 PRO 12 2HB PRO 12 7.395 -4.766 -0.545 62 HG2 PRO 12 1HG PRO 12 7.982 -7.500 0.522 63 HG3 PRO 12 2HG PRO 12 8.241 -6.857 -1.110 64 HD2 PRO 12 1HD PRO 12 10.240 -7.078 0.703 65 HD3 PRO 12 2HD PRO 12 10.194 -5.787 -0.514 66 H SER 13 H SER 13 6.711 -3.520 3.190 67 HA SER 13 HA SER 13 5.789 -5.852 4.672 68 HB2 SER 13 1HB SER 13 7.615 -3.745 5.786 69 HB3 SER 13 2HB SER 13 6.452 -4.552 6.837 70 HG SER 13 HG SER 13 8.196 -5.828 6.956 71 H PHE 14 H PHE 14 3.979 -5.436 6.015 72 HA PHE 14 HA PHE 14 2.570 -2.953 5.307 73 HB2 PHE 14 1HB PHE 14 1.615 -5.729 5.942 74 HB3 PHE 14 2HB PHE 14 0.533 -4.351 6.114 75 HD1 PHE 14 HD2 PHE 14 0.308 -2.808 4.047 76 HD2 PHE 14 HD1 PHE 14 1.817 -6.785 3.901 77 HE1 PHE 14 HE2 PHE 14 -0.203 -2.909 1.643 78 HE2 PHE 14 HE1 PHE 14 1.309 -6.892 1.495 79 HZ PHE 14 HZ PHE 14 0.297 -4.954 0.364 80 H SER 15 H SER 15 3.215 -1.574 6.912 81 HA SER 15 HA SER 15 3.574 -2.191 9.606 82 HB2 SER 15 1HB SER 15 2.889 0.387 8.200 83 HB3 SER 15 2HB SER 15 3.127 0.314 9.946 84 HG SER 15 HG SER 15 5.074 -0.828 8.299 85 H SER 16 H SER 16 0.690 -1.065 7.890 86 HA SER 16 HA SER 16 -0.925 -1.957 10.176 87 HB2 SER 16 1HB SER 16 -1.434 0.592 8.625 88 HB3 SER 16 2HB SER 16 -2.378 -0.015 9.985 89 HG SER 16 HG SER 16 -0.811 1.623 10.541 90 H VAL 17 H VAL 17 -1.632 -3.801 9.180 91 HA VAL 17 HA VAL 17 -2.461 -3.994 6.496 92 HB VAL 17 HB VAL 17 -3.465 -6.122 7.100 93 HG11 VAL 17 1HG1 VAL 17 -0.775 -5.399 8.136 94 HG12 VAL 17 2HG1 VAL 17 -1.412 -7.000 8.516 95 HG13 VAL 17 3HG1 VAL 17 -1.228 -6.499 6.835 96 HG21 VAL 17 3HG2 VAL 17 -3.973 -4.890 9.546 97 HG22 VAL 17 1HG2 VAL 17 -4.318 -6.563 9.108 98 HG23 VAL 17 2HG2 VAL 17 -2.801 -6.157 9.911 99 H LEU 18 H LEU 18 -4.520 -4.065 5.569 100 HA LEU 18 HA LEU 18 -6.347 -2.138 6.382 101 HB2 LEU 18 1HB LEU 18 -6.906 -4.570 4.692 102 HB3 LEU 18 2HB LEU 18 -7.873 -3.098 4.750 103 HG LEU 18 HG LEU 18 -5.011 -2.913 3.929 104 HD11 LEU 18 1HD1 LEU 18 -5.524 -3.444 1.654 105 HD12 LEU 18 2HD1 LEU 18 -7.223 -3.703 2.044 106 HD13 LEU 18 3HD1 LEU 18 -5.998 -4.812 2.661 107 HD21 LEU 18 3HD2 LEU 18 -7.350 -1.490 2.730 108 HD22 LEU 18 1HD2 LEU 18 -5.673 -0.965 2.880 109 HD23 LEU 18 2HD2 LEU 18 -6.719 -0.990 4.300 110 H LYS 19 H LYS 19 -8.592 -2.407 7.062 111 HA LYS 19 HA LYS 19 -9.063 -4.796 8.706 112 HB2 LYS 19 1HB LYS 19 -9.524 -1.944 9.602 113 HB3 LYS 19 2HB LYS 19 -9.960 -3.385 10.512 114 HG2 LYS 19 1HG LYS 19 -7.130 -3.067 9.673 115 HG3 LYS 19 2HG LYS 19 -7.734 -2.056 10.988 116 HD2 LYS 19 1HD LYS 19 -8.218 -3.902 12.340 117 HD3 LYS 19 2HD LYS 19 -8.174 -5.025 10.978 118 HE2 LYS 19 1HE LYS 19 -6.188 -5.368 12.242 119 HE3 LYS 19 2HE LYS 19 -5.728 -4.523 10.764 120 HZ1 LYS 19 3HZ LYS 19 -5.851 -3.492 13.521 121 HZ2 LYS 19 1HZ LYS 19 -5.982 -2.429 12.211 122 HZ3 LYS 19 2HZ LYS 19 -4.594 -3.377 12.395 123 H ASP 20 H ASP 20 -11.277 -5.270 9.117 124 HA ASP 20 HA ASP 20 -12.990 -5.033 6.975 125 HB2 ASP 20 1HB ASP 20 -14.778 -5.767 8.486 126 HB3 ASP 20 2HB ASP 20 -13.296 -6.674 8.774 127 H CYS 21 H CYS 21 -14.622 -3.671 6.367 128 HA CYS 21 HA CYS 21 -15.295 -1.395 8.053 129 HB2 CYS 21 1HB CYS 21 -13.289 -0.943 6.389 130 HB3 CYS 21 2HB CYS 21 -14.590 -0.775 5.217 131 HG CYS 21 HG CYS 21 -13.632 1.303 7.655 132 H ALA 22 H ALA 22 -17.236 -0.335 7.444 133 HA ALA 22 HA ALA 22 -18.872 -1.852 5.515 134 HB1 ALA 22 3HB ALA 22 -20.658 -1.905 6.934 135 HB2 ALA 22 1HB ALA 22 -19.345 -1.948 8.112 136 HB3 ALA 22 2HB ALA 22 -20.178 -0.430 7.774 137 H VAL 23 H VAL 23 -20.436 -0.682 4.323 138 HA VAL 23 HA VAL 23 -20.428 2.220 4.494 139 HB VAL 23 HB VAL 23 -18.526 1.636 2.981 140 HG11 VAL 23 1HG1 VAL 23 -20.722 0.219 1.557 141 HG12 VAL 23 2HG1 VAL 23 -19.438 0.966 0.604 142 HG13 VAL 23 3HG1 VAL 23 -19.044 -0.261 1.808 143 HG21 VAL 23 3HG2 VAL 23 -19.042 3.289 1.350 144 HG22 VAL 23 1HG2 VAL 23 -20.774 3.002 1.515 145 HG23 VAL 23 2HG2 VAL 23 -19.875 3.754 2.833 146 H ILE 24 H ILE 24 -22.179 3.205 3.423 147 HA ILE 24 HA ILE 24 -24.447 1.435 3.054 148 HB ILE 24 HB ILE 24 -24.223 4.443 3.083 149 HG12 ILE 24 1HG1 ILE 24 -25.621 2.567 4.997 150 HG13 ILE 24 2HG1 ILE 24 -23.988 3.174 5.244 151 HG21 ILE 24 1HG2 ILE 24 -26.458 2.666 2.294 152 HG22 ILE 24 2HG2 ILE 24 -26.848 4.068 3.289 153 HG23 ILE 24 3HG2 ILE 24 -26.045 4.286 1.734 154 HD11 ILE 24 3HD1 ILE 24 -26.160 4.325 6.281 155 HD12 ILE 24 1HD1 ILE 24 -24.701 5.220 5.858 156 HD13 ILE 24 2HD1 ILE 24 -26.074 5.197 4.751 157 H GLU 25 H GLU 25 -25.714 1.309 1.189 158 HA GLU 25 HA GLU 25 -24.406 1.178 -1.244 159 HB2 GLU 25 1HB GLU 25 -26.536 0.049 -0.789 160 HB3 GLU 25 2HB GLU 25 -27.360 1.602 -0.755 161 HG2 GLU 25 1HG GLU 25 -26.689 1.944 -3.121 162 HG3 GLU 25 2HG GLU 25 -26.032 0.308 -3.124 163 H GLY 26 H GLY 26 -23.422 2.806 -2.253 164 HA2 GLY 26 1HA GLY 26 -23.714 4.677 -3.754 165 HA3 GLY 26 2HA GLY 26 -24.960 5.286 -2.674 166 H GLN 27 H GLN 27 -23.263 4.651 -0.303 167 HA GLN 27 HA GLN 27 -22.076 7.174 0.017 168 HB2 GLN 27 1HB GLN 27 -22.075 4.621 1.549 169 HB3 GLN 27 2HB GLN 27 -20.846 5.813 1.951 170 HG2 GLN 27 1HG GLN 27 -23.830 6.156 2.053 171 HG3 GLN 27 2HG GLN 27 -22.700 6.132 3.406 172 HE21 GLN 27 1HE2 GLN 27 -23.940 7.976 0.734 173 HE22 GLN 27 2HE2 GLN 27 -23.293 9.501 1.223 174 H ASP 28 H ASP 28 -19.659 7.204 0.897 175 HA ASP 28 HA ASP 28 -17.983 5.892 -1.142 176 HB2 ASP 28 1HB ASP 28 -17.274 8.554 0.056 177 HB3 ASP 28 2HB ASP 28 -16.723 7.838 -1.456 178 H PHE 29 H PHE 29 -16.016 5.076 -0.503 179 HA PHE 29 HA PHE 29 -15.064 5.496 2.200 180 HB2 PHE 29 1HB PHE 29 -15.285 3.310 2.998 181 HB3 PHE 29 2HB PHE 29 -16.821 3.593 2.187 182 HD1 PHE 29 HD2 PHE 29 -13.613 1.831 2.023 183 HD2 PHE 29 HD1 PHE 29 -17.409 2.409 0.186 184 HE1 PHE 29 HE2 PHE 29 -13.245 -0.171 0.641 185 HE2 PHE 29 HE1 PHE 29 -17.048 0.408 -1.198 186 HZ PHE 29 HZ PHE 29 -14.963 -0.884 -0.973 187 H VAL 30 H VAL 30 -12.898 5.330 2.322 188 HA VAL 30 HA VAL 30 -11.490 4.106 0.039 189 HB VAL 30 HB VAL 30 -11.225 6.476 -0.172 190 HG11 VAL 30 1HG1 VAL 30 -11.810 6.919 2.254 191 HG12 VAL 30 2HG1 VAL 30 -10.111 6.611 2.617 192 HG13 VAL 30 3HG1 VAL 30 -10.558 7.942 1.550 193 HG21 VAL 30 3HG2 VAL 30 -9.143 4.741 -0.047 194 HG22 VAL 30 1HG2 VAL 30 -9.010 6.424 -0.558 195 HG23 VAL 30 2HG2 VAL 30 -8.626 5.973 1.104 196 H LEU 31 H LEU 31 -10.573 2.292 0.742 197 HA LEU 31 HA LEU 31 -9.933 1.756 3.441 198 HB2 LEU 31 1HB LEU 31 -8.762 0.364 1.046 199 HB3 LEU 31 2HB LEU 31 -8.998 -0.286 2.667 200 HG LEU 31 HG LEU 31 -11.384 0.553 1.085 201 HD11 LEU 31 1HD1 LEU 31 -9.961 -0.818 -0.428 202 HD12 LEU 31 2HD1 LEU 31 -11.511 -1.558 -0.032 203 HD13 LEU 31 3HD1 LEU 31 -10.039 -2.122 0.757 204 HD21 LEU 31 3HD2 LEU 31 -12.526 -0.670 2.591 205 HD22 LEU 31 1HD2 LEU 31 -11.077 -0.455 3.574 206 HD23 LEU 31 2HD2 LEU 31 -11.301 -1.939 2.647 207 H GLN 32 H GLN 32 -8.390 2.768 4.540 208 HA GLN 32 HA GLN 32 -5.919 3.535 3.153 209 HB2 GLN 32 1HB GLN 32 -7.181 5.317 4.335 210 HB3 GLN 32 2HB GLN 32 -6.947 4.447 5.845 211 HG2 GLN 32 1HG GLN 32 -4.466 4.646 5.429 212 HG3 GLN 32 2HG GLN 32 -4.868 5.770 4.132 213 HE21 GLN 32 1HE2 GLN 32 -3.839 7.482 5.145 214 HE22 GLN 32 2HE2 GLN 32 -4.492 8.257 6.544 215 H CYS 33 H CYS 33 -4.020 2.614 3.632 216 HA CYS 33 HA CYS 33 -3.742 1.093 6.115 217 HB2 CYS 33 1HB CYS 33 -2.778 -0.829 4.916 218 HB3 CYS 33 2HB CYS 33 -4.452 -0.549 4.451 219 HG CYS 33 HG CYS 33 -4.052 -0.006 1.930 220 H SER 34 H SER 34 -1.446 0.415 6.478 221 HA SER 34 HA SER 34 0.357 2.517 5.480 222 HB2 SER 34 1HB SER 34 -0.088 2.489 7.939 223 HB3 SER 34 2HB SER 34 0.633 0.882 8.013 224 HG SER 34 HG SER 34 1.942 3.002 8.348 225 H VAL 35 H VAL 35 1.768 1.864 4.011 226 HA VAL 35 HA VAL 35 2.982 -0.799 4.296 227 HB VAL 35 HB VAL 35 1.428 -1.123 2.533 228 HG11 VAL 35 1HG1 VAL 35 2.287 1.601 1.676 229 HG12 VAL 35 2HG1 VAL 35 1.669 0.471 0.470 230 HG13 VAL 35 3HG1 VAL 35 0.664 0.933 1.844 231 HG21 VAL 35 3HG2 VAL 35 2.861 -2.060 1.075 232 HG22 VAL 35 1HG2 VAL 35 3.685 -0.534 0.752 233 HG23 VAL 35 2HG2 VAL 35 4.101 -1.476 2.184 234 H ARG 36 H ARG 36 5.116 -0.666 4.429 235 HA ARG 36 HA ARG 36 6.463 1.630 3.165 236 HB2 ARG 36 1HB ARG 36 7.294 0.144 5.664 237 HB3 ARG 36 2HB ARG 36 8.147 1.500 4.940 238 HG2 ARG 36 1HG ARG 36 6.165 2.917 5.347 239 HG3 ARG 36 2HG ARG 36 5.401 1.555 6.168 240 HD2 ARG 36 1HD ARG 36 7.915 3.006 6.972 241 HD3 ARG 36 2HD ARG 36 6.372 2.984 7.826 242 HE ARG 36 HE ARG 36 7.144 0.360 7.689 243 HH11 ARG 36 2HH1 ARG 36 8.531 3.300 8.935 244 HH12 ARG 36 1HH1 ARG 36 9.416 2.504 10.194 245 HH21 ARG 36 2HH2 ARG 36 8.305 -0.700 9.342 246 HH22 ARG 36 1HH2 ARG 36 9.287 0.228 10.424 247 H GLY 37 H GLY 37 8.612 1.261 2.353 248 HA2 GLY 37 1HA GLY 37 10.023 -1.091 2.268 249 HA3 GLY 37 2HA GLY 37 8.832 -1.247 0.985 250 H THR 38 H THR 38 11.813 -0.994 0.959 251 HA THR 38 HA THR 38 11.933 1.194 -0.999 252 HB THR 38 HB THR 38 13.875 0.689 1.249 253 HG1 THR 38 HG1 THR 38 12.764 3.139 0.334 254 HG21 THR 38 3HG2 THR 38 14.339 1.920 -1.425 255 HG22 THR 38 1HG2 THR 38 15.428 0.966 -0.419 256 HG23 THR 38 2HG2 THR 38 15.107 2.653 -0.017 257 HA PRO 39 HA PRO 39 12.683 1.795 -2.733 258 HB2 PRO 39 1HB PRO 39 11.923 1.101 -5.245 259 HB3 PRO 39 2HB PRO 39 13.593 1.494 -4.821 260 HG2 PRO 39 1HG PRO 39 12.301 -1.188 -5.141 261 HG3 PRO 39 2HG PRO 39 13.890 -0.637 -5.704 262 HD2 PRO 39 1HD PRO 39 13.574 -2.136 -3.471 263 HD3 PRO 39 2HD PRO 39 14.863 -0.926 -3.634 264 H VAL 40 H VAL 40 10.562 2.565 -3.531 265 HA VAL 40 HA VAL 40 8.429 1.620 -2.089 266 HB VAL 40 HB VAL 40 8.328 3.059 -4.744 267 HG11 VAL 40 1HG1 VAL 40 6.135 2.636 -4.648 268 HG12 VAL 40 2HG1 VAL 40 6.228 2.068 -2.980 269 HG13 VAL 40 3HG1 VAL 40 6.099 3.794 -3.319 270 HG21 VAL 40 3HG2 VAL 40 9.562 4.346 -3.156 271 HG22 VAL 40 1HG2 VAL 40 7.951 5.052 -3.276 272 HG23 VAL 40 2HG2 VAL 40 8.369 4.040 -1.894 273 HA PRO 41 HA PRO 41 7.512 -2.208 -4.183 274 HB2 PRO 41 1HB PRO 41 5.395 -2.872 -2.619 275 HB3 PRO 41 2HB PRO 41 7.072 -3.064 -2.097 276 HG2 PRO 41 1HG PRO 41 5.130 -0.875 -1.464 277 HG3 PRO 41 2HG PRO 41 6.269 -1.707 -0.388 278 HD2 PRO 41 1HD PRO 41 6.774 0.740 -1.432 279 HD3 PRO 41 2HD PRO 41 8.059 -0.438 -1.094 280 H ARG 42 H ARG 42 5.754 -3.104 -5.408 281 HA ARG 42 HA ARG 42 4.219 -1.102 -6.766 282 HB2 ARG 42 1HB ARG 42 4.659 -4.035 -7.065 283 HB3 ARG 42 2HB ARG 42 3.231 -3.335 -7.816 284 HG2 ARG 42 1HG ARG 42 4.808 -3.269 -9.507 285 HG3 ARG 42 2HG ARG 42 4.869 -1.635 -8.842 286 HD2 ARG 42 1HD ARG 42 6.908 -1.990 -7.812 287 HD3 ARG 42 2HD ARG 42 6.698 -3.740 -7.773 288 HE ARG 42 HE ARG 42 7.606 -3.867 -9.875 289 HH11 ARG 42 2HH1 ARG 42 6.799 -0.557 -9.162 290 HH12 ARG 42 1HH1 ARG 42 7.597 0.077 -10.563 291 HH21 ARG 42 2HH2 ARG 42 8.661 -3.045 -11.723 292 HH22 ARG 42 1HH2 ARG 42 8.655 -1.340 -12.020 293 H ILE 43 H ILE 43 2.232 -0.432 -6.309 294 HA ILE 43 HA ILE 43 0.660 -1.951 -4.348 295 HB ILE 43 HB ILE 43 0.209 0.894 -5.246 296 HG12 ILE 43 1HG1 ILE 43 2.392 0.768 -4.202 297 HG13 ILE 43 2HG1 ILE 43 1.265 1.525 -3.082 298 HG21 ILE 43 1HG2 ILE 43 -1.678 0.725 -4.093 299 HG22 ILE 43 2HG2 ILE 43 -1.286 -0.932 -3.638 300 HG23 ILE 43 3HG2 ILE 43 -0.733 0.411 -2.637 301 HD11 ILE 43 3HD1 ILE 43 1.000 -0.858 -2.122 302 HD12 ILE 43 1HD1 ILE 43 2.515 -1.181 -2.964 303 HD13 ILE 43 2HD1 ILE 43 2.442 0.078 -1.731 304 H THR 44 H THR 44 -0.809 -3.257 -5.205 305 HA THR 44 HA THR 44 -2.501 -2.238 -7.376 306 HB THR 44 HB THR 44 -1.262 -4.997 -7.328 307 HG1 THR 44 HG1 THR 44 0.209 -3.536 -8.141 308 HG21 THR 44 3HG2 THR 44 -2.908 -3.897 -9.573 309 HG22 THR 44 1HG2 THR 44 -3.697 -4.657 -8.192 310 HG23 THR 44 2HG2 THR 44 -2.550 -5.575 -9.168 311 H TRP 45 H TRP 45 -4.613 -2.566 -7.048 312 HA TRP 45 HA TRP 45 -5.390 -4.287 -4.795 313 HB2 TRP 45 1HB TRP 45 -6.930 -2.039 -6.111 314 HB3 TRP 45 2HB TRP 45 -7.451 -2.960 -4.702 315 HD1 TRP 45 HD1 TRP 45 -4.513 -0.623 -5.696 316 HE1 TRP 45 HE1 TRP 45 -3.816 0.702 -3.602 317 HE3 TRP 45 HE3 TRP 45 -7.664 -2.771 -2.291 318 HZ2 TRP 45 HZ2 TRP 45 -4.510 0.820 -0.868 319 HZ3 TRP 45 HZ3 TRP 45 -7.584 -1.995 0.043 320 HH2 TRP 45 HH2 TRP 45 -6.038 -0.238 0.738 321 H LEU 46 H LEU 46 -6.680 -6.010 -5.087 322 HA LEU 46 HA LEU 46 -8.028 -6.334 -7.677 323 HB2 LEU 46 1HB LEU 46 -6.831 -8.724 -6.377 324 HB3 LEU 46 2HB LEU 46 -7.165 -8.416 -8.080 325 HG LEU 46 HG LEU 46 -5.215 -6.686 -7.844 326 HD11 LEU 46 1HD1 LEU 46 -5.250 -7.632 -5.258 327 HD12 LEU 46 2HD1 LEU 46 -3.927 -6.756 -6.028 328 HD13 LEU 46 3HD1 LEU 46 -3.918 -8.519 -6.000 329 HD21 LEU 46 3HD2 LEU 46 -3.977 -8.168 -9.003 330 HD22 LEU 46 1HD2 LEU 46 -5.446 -9.142 -8.938 331 HD23 LEU 46 2HD2 LEU 46 -4.146 -9.429 -7.781 332 H LEU 47 H LEU 47 -9.940 -7.523 -7.641 333 HA LEU 47 HA LEU 47 -11.116 -7.822 -4.976 334 HB2 LEU 47 1HB LEU 47 -12.252 -6.416 -6.681 335 HB3 LEU 47 2HB LEU 47 -12.470 -7.859 -7.669 336 HG LEU 47 HG LEU 47 -13.925 -8.824 -5.976 337 HD11 LEU 47 1HD1 LEU 47 -14.654 -7.385 -4.067 338 HD12 LEU 47 2HD1 LEU 47 -13.319 -6.299 -4.451 339 HD13 LEU 47 3HD1 LEU 47 -12.990 -7.961 -3.961 340 HD21 LEU 47 3HD2 LEU 47 -15.101 -6.133 -6.177 341 HD22 LEU 47 1HD2 LEU 47 -15.739 -7.696 -6.686 342 HD23 LEU 47 2HD2 LEU 47 -14.571 -6.849 -7.701 343 H ASN 48 H ASN 48 -10.207 -9.815 -4.399 344 HA ASN 48 HA ASN 48 -9.820 -12.089 -4.494 345 HB2 ASN 48 1HB ASN 48 -12.125 -13.294 -4.700 346 HB3 ASN 48 2HB ASN 48 -11.832 -12.221 -3.334 347 HD21 ASN 48 1HD2 ASN 48 -13.422 -12.551 -6.427 348 HD22 ASN 48 2HD2 ASN 48 -14.569 -11.281 -6.190 349 H GLY 49 H GLY 49 -8.985 -11.171 -6.876 350 HA2 GLY 49 1HA GLY 49 -9.028 -13.369 -8.550 351 HA3 GLY 49 2HA GLY 49 -10.322 -12.323 -9.115 352 H GLN 50 H GLN 50 -9.828 -10.705 -10.464 353 HA GLN 50 HA GLN 50 -7.009 -10.315 -11.122 354 HB2 GLN 50 1HB GLN 50 -9.592 -9.797 -12.540 355 HB3 GLN 50 2HB GLN 50 -8.158 -8.897 -13.014 356 HG2 GLN 50 1HG GLN 50 -6.985 -10.988 -13.458 357 HG3 GLN 50 2HG GLN 50 -8.416 -11.896 -12.971 358 HE21 GLN 50 1HE2 GLN 50 -7.015 -11.895 -15.515 359 HE22 GLN 50 2HE2 GLN 50 -8.173 -11.424 -16.707 360 HA PRO 51 HA PRO 51 -6.642 -6.326 -9.337 361 HB2 PRO 51 1HB PRO 51 -5.112 -5.026 -11.164 362 HB3 PRO 51 2HB PRO 51 -4.478 -6.293 -10.107 363 HG2 PRO 51 1HG PRO 51 -5.354 -6.472 -12.964 364 HG3 PRO 51 2HG PRO 51 -3.931 -7.186 -12.184 365 HD2 PRO 51 1HD PRO 51 -6.173 -8.611 -12.707 366 HD3 PRO 51 2HD PRO 51 -5.137 -8.941 -11.303 367 H ILE 52 H ILE 52 -7.713 -4.415 -9.264 368 HA ILE 52 HA ILE 52 -9.831 -3.930 -11.072 369 HB ILE 52 HB ILE 52 -8.629 -2.127 -8.969 370 HG12 ILE 52 1HG1 ILE 52 -11.196 -3.714 -8.875 371 HG13 ILE 52 2HG1 ILE 52 -9.668 -4.326 -8.252 372 HG21 ILE 52 1HG2 ILE 52 -10.657 -0.804 -9.137 373 HG22 ILE 52 2HG2 ILE 52 -9.827 -0.852 -10.691 374 HG23 ILE 52 3HG2 ILE 52 -11.255 -1.851 -10.424 375 HD11 ILE 52 3HD1 ILE 52 -11.349 -3.210 -6.644 376 HD12 ILE 52 1HD1 ILE 52 -9.634 -2.827 -6.502 377 HD13 ILE 52 2HD1 ILE 52 -10.726 -1.701 -7.309 378 H GLN 53 H GLN 53 -10.041 -2.553 -12.765 379 HA GLN 53 HA GLN 53 -7.591 -1.482 -13.894 380 HB2 GLN 53 1HB GLN 53 -10.347 -1.304 -15.098 381 HB3 GLN 53 2HB GLN 53 -8.795 -1.228 -15.923 382 HG2 GLN 53 1HG GLN 53 -9.462 -3.702 -14.426 383 HG3 GLN 53 2HG GLN 53 -10.290 -3.398 -15.952 384 HE21 GLN 53 1HE2 GLN 53 -9.314 -5.068 -17.038 385 HE22 GLN 53 2HE2 GLN 53 -7.639 -5.065 -17.462 386 H TYR 54 H TYR 54 -10.755 -0.291 -12.829 387 HA TYR 54 HA TYR 54 -9.875 2.466 -13.202 388 HB2 TYR 54 1HB TYR 54 -12.167 3.090 -12.780 389 HB3 TYR 54 2HB TYR 54 -12.155 1.755 -13.927 390 HD1 TYR 54 HD2 TYR 54 -12.625 -0.585 -13.042 391 HD2 TYR 54 HD1 TYR 54 -13.370 2.935 -10.771 392 HE1 TYR 54 HE2 TYR 54 -14.152 -1.853 -11.589 393 HE2 TYR 54 HE1 TYR 54 -14.898 1.677 -9.311 394 HH TYR 54 HH TYR 54 -15.087 -0.945 -8.670 395 H ALA 55 H ALA 55 -8.355 1.295 -11.308 396 HA ALA 55 HA ALA 55 -9.492 2.005 -8.705 397 HB1 ALA 55 3HB ALA 55 -6.766 0.833 -9.052 398 HB2 ALA 55 1HB ALA 55 -7.903 0.655 -7.716 399 HB3 ALA 55 2HB ALA 55 -8.194 -0.185 -9.240 400 H ARG 56 H ARG 56 -9.332 4.133 -8.322 401 HA ARG 56 HA ARG 56 -7.022 5.642 -9.210 402 HB2 ARG 56 1HB ARG 56 -9.525 6.439 -7.718 403 HB3 ARG 56 2HB ARG 56 -8.242 7.566 -8.140 404 HG2 ARG 56 1HG ARG 56 -8.715 7.466 -10.398 405 HG3 ARG 56 2HG ARG 56 -9.531 5.908 -10.262 406 HD2 ARG 56 1HD ARG 56 -11.219 7.532 -10.628 407 HD3 ARG 56 2HD ARG 56 -11.312 7.078 -8.927 408 HE ARG 56 HE ARG 56 -10.845 9.242 -8.392 409 HH11 ARG 56 2HH1 ARG 56 -9.734 8.642 -11.637 410 HH12 ARG 56 1HH1 ARG 56 -9.267 10.287 -11.920 411 HH21 ARG 56 2HH2 ARG 56 -10.235 11.410 -8.754 412 HH22 ARG 56 1HH2 ARG 56 -9.552 11.860 -10.279 413 H SER 57 H SER 57 -6.313 3.658 -7.400 414 HA SER 57 HA SER 57 -6.171 4.582 -4.724 415 HB2 SER 57 1HB SER 57 -4.393 2.809 -4.494 416 HB3 SER 57 2HB SER 57 -5.928 2.230 -5.141 417 HG SER 57 HG SER 57 -4.127 1.454 -6.333 418 H THR 58 H THR 58 -4.514 5.570 -3.601 419 HA THR 58 HA THR 58 -2.206 6.531 -5.131 420 HB THR 58 HB THR 58 -2.442 8.792 -4.144 421 HG1 THR 58 HG1 THR 58 -3.782 8.822 -2.490 422 HG21 THR 58 3HG2 THR 58 -4.911 8.993 -5.433 423 HG22 THR 58 1HG2 THR 58 -4.107 7.622 -6.196 424 HG23 THR 58 2HG2 THR 58 -3.316 9.198 -6.157 425 H CYS 59 H CYS 59 -0.462 5.877 -4.071 426 HA CYS 59 HA CYS 59 -0.585 5.542 -1.165 427 HB2 CYS 59 1HB CYS 59 0.200 3.586 -2.299 428 HB3 CYS 59 2HB CYS 59 1.347 4.523 -3.249 429 HG CYS 59 HG CYS 59 2.004 2.868 -0.632 430 H GLU 60 H GLU 60 0.231 7.053 0.113 431 HA GLU 60 HA GLU 60 2.476 8.679 -0.875 432 HB2 GLU 60 1HB GLU 60 -0.107 9.564 0.338 433 HB3 GLU 60 2HB GLU 60 1.346 10.493 0.676 434 HG2 GLU 60 1HG GLU 60 1.595 11.160 -1.515 435 HG3 GLU 60 2HG GLU 60 0.644 9.815 -2.142 436 H ALA 61 H ALA 61 4.094 9.087 0.557 437 HA ALA 61 HA ALA 61 5.472 8.572 2.313 438 HB1 ALA 61 3HB ALA 61 4.930 9.805 4.123 439 HB2 ALA 61 1HB ALA 61 3.610 10.352 3.089 440 HB3 ALA 61 2HB ALA 61 3.331 9.077 4.276 441 H GLY 62 H GLY 62 4.139 6.286 1.254 442 HA2 GLY 62 1HA GLY 62 4.073 4.043 1.798 443 HA3 GLY 62 2HA GLY 62 4.554 4.471 3.433 444 H VAL 63 H VAL 63 1.748 5.850 1.864 445 HA VAL 63 HA VAL 63 0.021 4.228 3.618 446 HB VAL 63 HB VAL 63 -0.366 7.145 2.933 447 HG11 VAL 63 1HG1 VAL 63 -2.265 5.241 3.604 448 HG12 VAL 63 2HG1 VAL 63 -1.936 6.079 5.121 449 HG13 VAL 63 3HG1 VAL 63 -2.451 6.991 3.702 450 HG21 VAL 63 3HG2 VAL 63 1.449 6.889 4.503 451 HG22 VAL 63 1HG2 VAL 63 0.033 7.512 5.349 452 HG23 VAL 63 2HG2 VAL 63 0.477 5.813 5.506 453 H ALA 64 H ALA 64 -0.569 2.800 1.992 454 HA ALA 64 HA ALA 64 -1.499 3.673 -0.565 455 HB1 ALA 64 3HB ALA 64 -0.772 1.547 -0.802 456 HB2 ALA 64 1HB ALA 64 -1.215 1.096 0.845 457 HB3 ALA 64 2HB ALA 64 -2.450 1.168 -0.413 458 H GLU 65 H GLU 65 -3.509 4.160 -1.230 459 HA GLU 65 HA GLU 65 -5.779 3.543 0.517 460 HB2 GLU 65 1HB GLU 65 -5.338 6.279 -0.687 461 HB3 GLU 65 2HB GLU 65 -6.654 5.789 0.372 462 HG2 GLU 65 1HG GLU 65 -4.713 5.230 2.030 463 HG3 GLU 65 2HG GLU 65 -3.807 6.359 1.025 464 H LEU 66 H LEU 66 -7.787 3.414 -0.538 465 HA LEU 66 HA LEU 66 -7.729 3.584 -3.468 466 HB2 LEU 66 1HB LEU 66 -7.373 1.267 -2.965 467 HB3 LEU 66 2HB LEU 66 -8.710 1.264 -1.817 468 HG LEU 66 HG LEU 66 -10.145 1.858 -3.916 469 HD11 LEU 66 1HD1 LEU 66 -9.161 0.614 -5.914 470 HD12 LEU 66 2HD1 LEU 66 -7.605 0.786 -5.102 471 HD13 LEU 66 3HD1 LEU 66 -8.522 2.220 -5.563 472 HD21 LEU 66 3HD2 LEU 66 -10.901 -0.184 -3.500 473 HD22 LEU 66 1HD2 LEU 66 -9.429 -0.534 -2.594 474 HD23 LEU 66 2HD2 LEU 66 -9.508 -0.893 -4.319 475 H HIS 67 H HIS 67 -9.065 5.299 -3.697 476 HA HIS 67 HA HIS 67 -11.411 5.671 -2.102 477 HB2 HIS 67 1HB HIS 67 -10.581 7.037 -4.672 478 HB3 HIS 67 2HB HIS 67 -11.858 7.578 -3.586 479 HD1 HIS 67 HD1 HIS 67 -11.152 9.332 -2.003 480 HD2 HIS 67 HD2 HIS 67 -7.956 6.961 -3.195 481 HE1 HIS 67 HE1 HIS 67 -9.126 10.331 -0.899 482 HE2 HIS 67 HE2 HIS 67 -7.193 8.931 -1.703 483 H ILE 68 H ILE 68 -13.329 4.758 -2.378 484 HA ILE 68 HA ILE 68 -14.063 3.801 -5.066 485 HB ILE 68 HB ILE 68 -14.650 2.425 -2.442 486 HG12 ILE 68 1HG1 ILE 68 -12.332 2.135 -3.244 487 HG13 ILE 68 2HG1 ILE 68 -13.240 0.628 -3.305 488 HG21 ILE 68 1HG2 ILE 68 -16.441 2.377 -4.267 489 HG22 ILE 68 2HG2 ILE 68 -15.307 1.379 -5.177 490 HG23 ILE 68 3HG2 ILE 68 -15.904 0.830 -3.611 491 HD11 ILE 68 3HD1 ILE 68 -13.484 2.018 -5.797 492 HD12 ILE 68 1HD1 ILE 68 -11.785 1.838 -5.360 493 HD13 ILE 68 2HD1 ILE 68 -12.824 0.417 -5.464 494 H GLN 69 H GLN 69 -15.463 5.384 -5.648 495 HA GLN 69 HA GLN 69 -17.495 6.295 -3.777 496 HB2 GLN 69 1HB GLN 69 -18.085 7.913 -5.511 497 HB3 GLN 69 2HB GLN 69 -16.357 7.947 -5.184 498 HG2 GLN 69 1HG GLN 69 -15.865 6.789 -7.191 499 HG3 GLN 69 2HG GLN 69 -17.564 6.407 -7.462 500 HE21 GLN 69 1HE2 GLN 69 -15.434 9.206 -7.012 501 HE22 GLN 69 2HE2 GLN 69 -16.212 10.204 -8.187 502 H ASP 70 H ASP 70 -19.754 6.259 -4.284 503 HA ASP 70 HA ASP 70 -21.692 5.240 -4.901 504 HB2 ASP 70 1HB ASP 70 -20.042 4.680 -7.367 505 HB3 ASP 70 2HB ASP 70 -21.741 4.237 -7.233 506 H ALA 71 H ALA 71 -20.007 3.819 -3.193 507 HA ALA 71 HA ALA 71 -19.298 1.253 -3.760 508 HB1 ALA 71 3HB ALA 71 -20.705 1.251 -1.257 509 HB2 ALA 71 1HB ALA 71 -18.970 1.169 -1.567 510 HB3 ALA 71 2HB ALA 71 -19.770 2.736 -1.432 511 H LEU 72 H LEU 72 -20.447 -0.046 -5.072 512 HA LEU 72 HA LEU 72 -23.328 -0.270 -4.785 513 HB2 LEU 72 1HB LEU 72 -21.329 -1.422 -6.708 514 HB3 LEU 72 2HB LEU 72 -23.012 -1.947 -6.684 515 HG LEU 72 HG LEU 72 -22.184 0.917 -7.118 516 HD11 LEU 72 1HD1 LEU 72 -22.360 -1.366 -9.012 517 HD12 LEU 72 2HD1 LEU 72 -21.274 0.024 -9.009 518 HD13 LEU 72 3HD1 LEU 72 -22.945 0.211 -9.542 519 HD21 LEU 72 3HD2 LEU 72 -24.750 -0.622 -7.391 520 HD22 LEU 72 1HD2 LEU 72 -24.490 0.926 -8.196 521 HD23 LEU 72 2HD2 LEU 72 -24.430 0.827 -6.436 522 HA PRO 73 HA PRO 73 -23.420 -3.911 -2.337 523 HB2 PRO 73 1HB PRO 73 -25.571 -5.205 -3.372 524 HB3 PRO 73 2HB PRO 73 -25.711 -3.747 -2.382 525 HG2 PRO 73 1HG PRO 73 -25.804 -4.030 -5.361 526 HG3 PRO 73 2HG PRO 73 -26.826 -3.045 -4.298 527 HD2 PRO 73 1HD PRO 73 -24.762 -2.004 -5.708 528 HD3 PRO 73 2HD PRO 73 -25.249 -1.373 -4.121 529 H GLU 74 H GLU 74 -23.087 -4.140 -5.770 530 HA GLU 74 HA GLU 74 -22.485 -6.995 -5.670 531 HB2 GLU 74 1HB GLU 74 -22.346 -6.852 -8.111 532 HB3 GLU 74 2HB GLU 74 -23.864 -6.188 -7.522 533 HG2 GLU 74 1HG GLU 74 -23.215 -3.992 -7.967 534 HG3 GLU 74 2HG GLU 74 -21.511 -4.427 -8.093 535 H ASP 75 H ASP 75 -20.875 -4.130 -5.210 536 HA ASP 75 HA ASP 75 -18.374 -4.918 -6.449 537 HB2 ASP 75 1HB ASP 75 -18.934 -2.562 -6.468 538 HB3 ASP 75 2HB ASP 75 -19.107 -2.552 -4.715 539 H HIS 76 H HIS 76 -19.835 -4.837 -3.264 540 HA HIS 76 HA HIS 76 -17.706 -5.114 -1.578 541 HB2 HIS 76 1HB HIS 76 -19.186 -5.912 -0.005 542 HB3 HIS 76 2HB HIS 76 -20.313 -5.216 -1.166 543 HD1 HIS 76 HD1 HIS 76 -20.624 -7.375 -3.213 544 HD2 HIS 76 HD2 HIS 76 -20.371 -8.181 0.855 545 HE1 HIS 76 HE1 HIS 76 -21.702 -9.626 -2.905 546 HE2 HIS 76 HE2 HIS 76 -21.614 -10.054 -0.425 547 H GLY 77 H GLY 77 -16.335 -6.726 -0.915 548 HA2 GLY 77 1HA GLY 77 -16.574 -9.454 -1.513 549 HA3 GLY 77 2HA GLY 77 -15.619 -8.706 -2.785 550 H THR 78 H THR 78 -13.547 -9.140 -2.459 551 HA THR 78 HA THR 78 -12.434 -8.674 0.222 552 HB THR 78 HB THR 78 -11.790 -11.036 -1.554 553 HG1 THR 78 HG1 THR 78 -13.411 -11.796 -0.402 554 HG21 THR 78 3HG2 THR 78 -10.516 -10.038 0.987 555 HG22 THR 78 1HG2 THR 78 -9.741 -10.361 -0.563 556 HG23 THR 78 2HG2 THR 78 -10.343 -11.698 0.418 557 H TYR 79 H TYR 79 -11.377 -6.805 -0.225 558 HA TYR 79 HA TYR 79 -9.907 -6.413 -2.659 559 HB2 TYR 79 1HB TYR 79 -10.303 -4.814 -0.149 560 HB3 TYR 79 2HB TYR 79 -9.076 -4.341 -1.319 561 HD1 TYR 79 HD2 TYR 79 -12.709 -4.925 -0.885 562 HD2 TYR 79 HD1 TYR 79 -9.663 -3.195 -3.299 563 HE1 TYR 79 HE2 TYR 79 -14.425 -3.757 -2.203 564 HE2 TYR 79 HE1 TYR 79 -11.371 -2.021 -4.623 565 HH TYR 79 HH TYR 79 -14.054 -1.264 -3.906 566 H THR 80 H THR 80 -7.886 -6.997 -3.066 567 HA THR 80 HA THR 80 -6.141 -7.684 -0.791 568 HB THR 80 HB THR 80 -6.045 -8.841 -3.584 569 HG1 THR 80 HG1 THR 80 -6.850 -10.101 -1.159 570 HG21 THR 80 3HG2 THR 80 -3.979 -9.470 -3.024 571 HG22 THR 80 1HG2 THR 80 -4.691 -10.481 -1.767 572 HG23 THR 80 2HG2 THR 80 -4.172 -8.839 -1.388 573 H CYS 81 H CYS 81 -4.418 -6.435 -0.533 574 HA CYS 81 HA CYS 81 -3.512 -4.801 -2.804 575 HB2 CYS 81 1HB CYS 81 -4.305 -3.656 -0.691 576 HB3 CYS 81 2HB CYS 81 -2.902 -4.342 0.118 577 HG CYS 81 HG CYS 81 -2.199 -2.642 -2.688 578 H LEU 82 H LEU 82 -1.917 -5.847 -3.827 579 HA LEU 82 HA LEU 82 0.034 -7.397 -2.331 580 HB2 LEU 82 1HB LEU 82 -0.544 -8.527 -4.250 581 HB3 LEU 82 2HB LEU 82 -0.661 -7.053 -5.208 582 HG LEU 82 HG LEU 82 1.793 -6.907 -5.256 583 HD11 LEU 82 1HD1 LEU 82 3.207 -8.442 -4.274 584 HD12 LEU 82 2HD1 LEU 82 1.950 -9.670 -4.131 585 HD13 LEU 82 3HD1 LEU 82 1.945 -8.275 -3.053 586 HD21 LEU 82 3HD2 LEU 82 0.508 -9.448 -6.227 587 HD22 LEU 82 1HD2 LEU 82 2.159 -8.989 -6.645 588 HD23 LEU 82 2HD2 LEU 82 0.809 -7.961 -7.127 589 H ALA 83 H ALA 83 1.964 -6.667 -1.731 590 HA ALA 83 HA ALA 83 3.085 -4.323 -3.115 591 HB1 ALA 83 3HB ALA 83 3.966 -4.177 -0.461 592 HB2 ALA 83 1HB ALA 83 2.834 -3.101 -1.280 593 HB3 ALA 83 2HB ALA 83 2.232 -4.492 -0.378 594 H GLU 84 H GLU 84 4.714 -5.277 -4.212 595 HA GLU 84 HA GLU 84 6.745 -6.679 -2.615 596 HB2 GLU 84 1HB GLU 84 7.077 -8.335 -4.297 597 HB3 GLU 84 2HB GLU 84 5.351 -8.280 -3.966 598 HG2 GLU 84 1HG GLU 84 4.975 -6.976 -5.969 599 HG3 GLU 84 2HG GLU 84 6.708 -6.924 -6.285 600 H ASN 85 H ASN 85 8.875 -6.331 -3.212 601 HA ASN 85 HA ASN 85 9.325 -4.377 -5.365 602 HB2 ASN 85 1HB ASN 85 10.905 -3.170 -4.009 603 HB3 ASN 85 2HB ASN 85 9.403 -3.308 -3.100 604 HD21 ASN 85 1HD2 ASN 85 10.964 -2.775 -1.349 605 HD22 ASN 85 2HD2 ASN 85 11.753 -4.092 -0.557 606 H ALA 86 H ALA 86 11.951 -4.184 -5.495 607 HA ALA 86 HA ALA 86 12.790 -6.580 -6.695 608 HB1 ALA 86 3HB ALA 86 15.125 -5.358 -6.402 609 HB2 ALA 86 1HB ALA 86 13.924 -4.814 -7.574 610 HB3 ALA 86 2HB ALA 86 14.076 -3.993 -6.020 611 H LEU 87 H LEU 87 12.806 -5.585 -3.424 612 HA LEU 87 HA LEU 87 14.939 -7.390 -2.636 613 HB2 LEU 87 1HB LEU 87 13.152 -5.489 -1.157 614 HB3 LEU 87 2HB LEU 87 14.170 -6.647 -0.304 615 HG LEU 87 HG LEU 87 16.117 -5.584 -1.606 616 HD11 LEU 87 1HD1 LEU 87 15.066 -4.292 -3.241 617 HD12 LEU 87 2HD1 LEU 87 15.603 -3.116 -2.042 618 HD13 LEU 87 3HD1 LEU 87 13.911 -3.612 -2.095 619 HD21 LEU 87 3HD2 LEU 87 15.034 -3.563 0.249 620 HD22 LEU 87 1HD2 LEU 87 16.590 -4.393 0.251 621 HD23 LEU 87 2HD2 LEU 87 15.156 -5.207 0.878 622 H GLY 88 H GLY 88 11.699 -6.984 -1.224 623 HA2 GLY 88 1HA GLY 88 11.444 -9.930 -1.254 624 HA3 GLY 88 2HA GLY 88 10.886 -8.931 0.080 625 H GLN 89 H GLN 89 8.873 -10.175 -0.376 626 HA GLN 89 HA GLN 89 7.117 -8.549 -1.990 627 HB2 GLN 89 1HB GLN 89 6.382 -10.176 -3.504 628 HB3 GLN 89 2HB GLN 89 8.130 -10.366 -3.500 629 HG2 GLN 89 1HG GLN 89 7.515 -12.542 -3.346 630 HG3 GLN 89 2HG GLN 89 7.588 -12.140 -1.631 631 HE21 GLN 89 1HE2 GLN 89 5.231 -11.770 -4.263 632 HE22 GLN 89 2HE2 GLN 89 3.892 -12.416 -3.383 633 H VAL 90 H VAL 90 5.252 -8.316 -0.948 634 HA VAL 90 HA VAL 90 4.302 -10.488 0.787 635 HB VAL 90 HB VAL 90 3.763 -9.000 2.582 636 HG11 VAL 90 1HG1 VAL 90 6.579 -8.512 1.616 637 HG12 VAL 90 2HG1 VAL 90 6.003 -8.220 3.259 638 HG13 VAL 90 3HG1 VAL 90 6.026 -9.860 2.609 639 HG21 VAL 90 3HG2 VAL 90 5.036 -6.571 1.829 640 HG22 VAL 90 1HG2 VAL 90 3.883 -7.008 0.569 641 HG23 VAL 90 2HG2 VAL 90 3.343 -6.846 2.240 642 H SER 91 H SER 91 2.008 -10.255 1.383 643 HA SER 91 HA SER 91 0.416 -8.494 -0.299 644 HB2 SER 91 1HB SER 91 -0.783 -10.180 -1.430 645 HB3 SER 91 2HB SER 91 0.899 -10.699 -1.543 646 HG SER 91 HG SER 91 0.385 -11.953 0.437 647 H CYS 92 H CYS 92 -1.690 -8.177 0.447 648 HA CYS 92 HA CYS 92 -2.493 -9.581 2.884 649 HB2 CYS 92 1HB CYS 92 -2.906 -7.573 4.116 650 HB3 CYS 92 2HB CYS 92 -1.257 -7.479 3.510 651 HG CYS 92 HG CYS 92 -1.856 -4.975 3.019 652 H SER 93 H SER 93 -4.696 -9.716 3.198 653 HA SER 93 HA SER 93 -6.351 -8.675 0.993 654 HB2 SER 93 1HB SER 93 -7.840 -10.613 1.384 655 HB3 SER 93 2HB SER 93 -6.204 -11.115 0.955 656 HG SER 93 HG SER 93 -5.912 -11.896 2.913 657 H ALA 94 H ALA 94 -8.546 -8.091 1.504 658 HA ALA 94 HA ALA 94 -9.135 -7.622 4.329 659 HB1 ALA 94 3HB ALA 94 -9.414 -5.381 2.346 660 HB2 ALA 94 1HB ALA 94 -9.521 -5.311 4.105 661 HB3 ALA 94 2HB ALA 94 -7.965 -5.604 3.328 662 H TRP 95 H TRP 95 -11.368 -7.189 4.758 663 HA TRP 95 HA TRP 95 -13.143 -8.092 2.586 664 HB2 TRP 95 1HB TRP 95 -12.933 -9.639 4.542 665 HB3 TRP 95 2HB TRP 95 -13.606 -8.370 5.562 666 HD1 TRP 95 HD1 TRP 95 -16.214 -7.933 5.421 667 HE1 TRP 95 HE1 TRP 95 -18.154 -9.261 4.374 668 HE3 TRP 95 HE3 TRP 95 -13.515 -11.159 2.515 669 HZ2 TRP 95 HZ2 TRP 95 -18.495 -11.395 2.557 670 HZ3 TRP 95 HZ3 TRP 95 -14.724 -12.814 1.154 671 HH2 TRP 95 HH2 TRP 95 -17.163 -12.928 1.176 672 H VAL 96 H VAL 96 -14.636 -6.711 1.893 673 HA VAL 96 HA VAL 96 -15.286 -4.391 3.593 674 HB VAL 96 HB VAL 96 -15.362 -4.520 0.575 675 HG11 VAL 96 1HG1 VAL 96 -16.057 -2.327 0.557 676 HG12 VAL 96 2HG1 VAL 96 -16.912 -2.941 1.973 677 HG13 VAL 96 3HG1 VAL 96 -15.433 -2.002 2.173 678 HG21 VAL 96 3HG2 VAL 96 -13.071 -4.601 1.655 679 HG22 VAL 96 1HG2 VAL 96 -13.356 -3.273 0.530 680 HG23 VAL 96 2HG2 VAL 96 -13.407 -2.982 2.268 681 H THR 97 H THR 97 -17.398 -3.840 3.901 682 HA THR 97 HA THR 97 -19.418 -5.610 2.684 683 HB THR 97 HB THR 97 -20.722 -4.939 4.882 684 HG1 THR 97 HG1 THR 97 -19.469 -3.940 6.255 685 HG21 THR 97 3HG2 THR 97 -20.419 -7.212 4.493 686 HG22 THR 97 1HG2 THR 97 -19.554 -6.963 6.009 687 HG23 THR 97 2HG2 THR 97 -18.661 -7.079 4.493 688 H VAL 98 H VAL 98 -21.266 -4.696 1.900 689 HA VAL 98 HA VAL 98 -21.471 -1.760 2.079 690 HB VAL 98 HB VAL 98 -22.210 -3.491 -0.285 691 HG11 VAL 98 1HG1 VAL 98 -22.214 -0.485 -0.061 692 HG12 VAL 98 2HG1 VAL 98 -22.747 -1.457 -1.434 693 HG13 VAL 98 3HG1 VAL 98 -23.654 -1.494 0.078 694 HG21 VAL 98 3HG2 VAL 98 -19.783 -3.250 0.020 695 HG22 VAL 98 1HG2 VAL 98 -20.353 -2.417 -1.427 696 HG23 VAL 98 2HG2 VAL 98 -19.967 -1.496 0.026 697 H HIS 99 H HIS 99 -23.068 -1.458 3.526 698 HA HIS 99 HA HIS 99 -25.196 -3.089 4.128 699 HB2 HIS 99 1HB HIS 99 -25.231 -0.064 4.142 700 HB3 HIS 99 2HB HIS 99 -26.293 -1.120 5.068 701 HD1 HIS 99 HD1 HIS 99 -24.738 -2.873 6.673 702 HD2 HIS 99 HD2 HIS 99 -23.211 0.857 5.663 703 HE1 HIS 99 HE1 HIS 99 -22.948 -2.396 8.374 704 HE2 HIS 99 HE2 HIS 99 -22.098 -0.097 7.794 Start of MODEL 3 1 H1 GLY 1 H GLY 1 37.350 6.425 9.889 2 HA2 GLY 1 1HA GLY 1 38.893 4.581 8.252 3 HA3 GLY 1 2HA GLY 1 39.125 4.902 9.964 4 H SER 2 H SER 2 36.156 3.936 8.295 5 HA SER 2 HA SER 2 36.187 1.450 9.879 6 HB2 SER 2 1HB SER 2 33.737 1.589 9.992 7 HB3 SER 2 2HB SER 2 34.479 3.028 10.690 8 HG SER 2 HG SER 2 33.901 3.160 7.987 9 H SER 3 H SER 3 34.889 -0.324 8.933 10 HA SER 3 HA SER 3 35.741 -1.083 6.447 11 HB2 SER 3 1HB SER 3 34.405 -2.379 8.315 12 HB3 SER 3 2HB SER 3 33.013 -1.957 7.318 13 HG SER 3 HG SER 3 35.327 -3.196 6.261 14 H GLY 4 H GLY 4 32.732 0.612 7.251 15 HA2 GLY 4 1HA GLY 4 32.198 2.371 5.512 16 HA3 GLY 4 2HA GLY 4 32.302 1.047 4.362 17 H SER 5 H SER 5 30.710 1.568 7.513 18 HA SER 5 HA SER 5 28.434 0.014 6.719 19 HB2 SER 5 1HB SER 5 28.753 1.810 9.135 20 HB3 SER 5 2HB SER 5 27.540 0.548 8.918 21 HG SER 5 HG SER 5 29.523 -0.851 8.629 22 H SER 6 H SER 6 26.961 0.756 5.353 23 HA SER 6 HA SER 6 26.004 3.516 5.680 24 HB2 SER 6 1HB SER 6 25.842 3.751 3.231 25 HB3 SER 6 2HB SER 6 27.508 3.482 3.742 26 HG SER 6 HG SER 6 27.239 1.281 3.162 27 H GLY 7 H GLY 7 23.869 3.852 4.545 28 HA2 GLY 7 1HA GLY 7 21.942 2.121 5.536 29 HA3 GLY 7 2HA GLY 7 21.666 3.279 4.243 30 H MET 8 H MET 8 20.571 0.585 4.604 31 HA MET 8 HA MET 8 21.478 -0.550 2.046 32 HB2 MET 8 1HB MET 8 21.173 -2.804 2.931 33 HB3 MET 8 2HB MET 8 22.359 -1.920 3.883 34 HG2 MET 8 1HG MET 8 20.267 -1.363 5.369 35 HG3 MET 8 2HG MET 8 19.624 -2.820 4.615 36 HE1 MET 8 3HE MET 8 20.591 -5.521 5.966 37 HE2 MET 8 1HE MET 8 20.176 -4.718 7.481 38 HE3 MET 8 2HE MET 8 19.303 -4.317 6.002 39 H GLU 9 H GLU 9 19.878 -1.675 0.838 40 HA GLU 9 HA GLU 9 17.417 -0.474 0.644 41 HB2 GLU 9 1HB GLU 9 18.195 -3.292 -0.118 42 HB3 GLU 9 2HB GLU 9 16.700 -2.514 -0.618 43 HG2 GLU 9 1HG GLU 9 17.968 -2.091 -2.447 44 HG3 GLU 9 2HG GLU 9 18.363 -0.664 -1.491 45 H VAL 10 H VAL 10 15.263 -1.788 0.813 46 HA VAL 10 HA VAL 10 15.120 -3.306 3.308 47 HB VAL 10 HB VAL 10 13.765 -0.681 2.809 48 HG11 VAL 10 1HG1 VAL 10 12.300 -1.324 4.815 49 HG12 VAL 10 2HG1 VAL 10 11.862 -1.969 3.232 50 HG13 VAL 10 3HG1 VAL 10 12.701 -2.991 4.400 51 HG21 VAL 10 3HG2 VAL 10 15.878 -1.396 4.361 52 HG22 VAL 10 1HG2 VAL 10 14.842 -0.001 4.660 53 HG23 VAL 10 2HG2 VAL 10 14.547 -1.517 5.512 54 H ALA 11 H ALA 11 13.262 -4.608 3.509 55 HA ALA 11 HA ALA 11 12.060 -5.304 0.954 56 HB1 ALA 11 3HB ALA 11 12.744 -6.715 3.342 57 HB2 ALA 11 1HB ALA 11 11.029 -6.948 2.998 58 HB3 ALA 11 2HB ALA 11 12.237 -7.356 1.779 59 HA PRO 12 HA PRO 12 8.077 -3.584 1.606 60 HB2 PRO 12 1HB PRO 12 6.407 -5.560 0.784 61 HB3 PRO 12 2HB PRO 12 7.400 -4.616 -0.332 62 HG2 PRO 12 1HG PRO 12 7.891 -7.345 0.795 63 HG3 PRO 12 2HG PRO 12 8.122 -6.761 -0.864 64 HD2 PRO 12 1HD PRO 12 10.172 -7.031 0.884 65 HD3 PRO 12 2HD PRO 12 10.145 -5.774 -0.369 66 H SER 13 H SER 13 6.318 -3.495 3.009 67 HA SER 13 HA SER 13 5.614 -5.669 4.728 68 HB2 SER 13 1HB SER 13 7.825 -4.560 5.643 69 HB3 SER 13 2HB SER 13 6.711 -3.332 6.243 70 HG SER 13 HG SER 13 6.054 -5.999 6.708 71 H PHE 14 H PHE 14 3.917 -5.048 6.291 72 HA PHE 14 HA PHE 14 2.439 -2.669 5.374 73 HB2 PHE 14 1HB PHE 14 1.468 -5.435 6.044 74 HB3 PHE 14 2HB PHE 14 0.384 -4.050 6.123 75 HD1 PHE 14 HD2 PHE 14 0.657 -2.472 3.919 76 HD2 PHE 14 HD1 PHE 14 1.344 -6.668 4.127 77 HE1 PHE 14 HE2 PHE 14 0.247 -2.656 1.500 78 HE2 PHE 14 HE1 PHE 14 0.935 -6.858 1.708 79 HZ PHE 14 HZ PHE 14 0.385 -4.851 0.392 80 H SER 15 H SER 15 3.203 -1.331 7.009 81 HA SER 15 HA SER 15 3.442 -1.903 9.703 82 HB2 SER 15 1HB SER 15 4.249 0.182 8.636 83 HB3 SER 15 2HB SER 15 2.582 0.739 8.498 84 HG SER 15 HG SER 15 3.464 1.608 10.356 85 H SER 16 H SER 16 0.589 -1.404 7.821 86 HA SER 16 HA SER 16 -1.066 -2.099 10.090 87 HB2 SER 16 1HB SER 16 -0.732 0.522 9.874 88 HB3 SER 16 2HB SER 16 -1.961 0.345 8.622 89 HG SER 16 HG SER 16 -2.861 0.747 10.699 90 H VAL 17 H VAL 17 -2.058 -3.801 9.213 91 HA VAL 17 HA VAL 17 -2.738 -3.938 6.429 92 HB VAL 17 HB VAL 17 -3.777 -6.101 6.995 93 HG11 VAL 17 1HG1 VAL 17 -1.000 -5.378 7.610 94 HG12 VAL 17 2HG1 VAL 17 -1.531 -6.919 8.285 95 HG13 VAL 17 3HG1 VAL 17 -1.640 -6.632 6.548 96 HG21 VAL 17 3HG2 VAL 17 -3.058 -6.683 9.556 97 HG22 VAL 17 1HG2 VAL 17 -3.569 -5.001 9.704 98 HG23 VAL 17 2HG2 VAL 17 -4.678 -6.206 9.050 99 H LEU 18 H LEU 18 -4.939 -4.418 5.666 100 HA LEU 18 HA LEU 18 -6.780 -2.446 6.592 101 HB2 LEU 18 1HB LEU 18 -7.288 -4.700 4.661 102 HB3 LEU 18 2HB LEU 18 -8.228 -3.220 4.833 103 HG LEU 18 HG LEU 18 -5.350 -3.009 4.085 104 HD11 LEU 18 1HD1 LEU 18 -7.481 -3.522 2.031 105 HD12 LEU 18 2HD1 LEU 18 -6.447 -4.802 2.665 106 HD13 LEU 18 3HD1 LEU 18 -5.734 -3.437 1.805 107 HD21 LEU 18 3HD2 LEU 18 -6.585 -0.982 4.518 108 HD22 LEU 18 1HD2 LEU 18 -7.851 -1.472 3.393 109 HD23 LEU 18 2HD2 LEU 18 -6.236 -1.097 2.793 110 H LYS 19 H LYS 19 -8.902 -2.788 7.404 111 HA LYS 19 HA LYS 19 -9.341 -5.407 8.672 112 HB2 LYS 19 1HB LYS 19 -10.230 -4.245 10.663 113 HB3 LYS 19 2HB LYS 19 -8.526 -3.904 10.393 114 HG2 LYS 19 1HG LYS 19 -10.532 -2.027 9.263 115 HG3 LYS 19 2HG LYS 19 -10.238 -2.001 11.003 116 HD2 LYS 19 1HD LYS 19 -8.031 -1.835 8.962 117 HD3 LYS 19 2HD LYS 19 -8.841 -0.412 9.621 118 HE2 LYS 19 1HE LYS 19 -8.231 -1.299 11.914 119 HE3 LYS 19 2HE LYS 19 -7.193 -2.459 11.087 120 HZ1 LYS 19 3HZ LYS 19 -6.175 -0.425 9.979 121 HZ2 LYS 19 1HZ LYS 19 -5.800 -0.686 11.608 122 HZ3 LYS 19 2HZ LYS 19 -6.945 0.484 11.181 123 H ASP 20 H ASP 20 -11.506 -6.027 8.953 124 HA ASP 20 HA ASP 20 -13.277 -5.573 6.950 125 HB2 ASP 20 1HB ASP 20 -15.086 -6.170 8.703 126 HB3 ASP 20 2HB ASP 20 -13.816 -7.345 8.375 127 H CYS 21 H CYS 21 -14.981 -4.205 6.512 128 HA CYS 21 HA CYS 21 -15.605 -2.044 8.347 129 HB2 CYS 21 1HB CYS 21 -13.606 -1.456 6.730 130 HB3 CYS 21 2HB CYS 21 -14.898 -1.219 5.560 131 HG CYS 21 HG CYS 21 -14.507 0.467 8.512 132 H ALA 22 H ALA 22 -17.473 -0.780 7.649 133 HA ALA 22 HA ALA 22 -19.150 -2.208 5.691 134 HB1 ALA 22 3HB ALA 22 -20.518 -2.779 7.345 135 HB2 ALA 22 1HB ALA 22 -19.613 -1.806 8.506 136 HB3 ALA 22 2HB ALA 22 -20.895 -1.067 7.545 137 H VAL 23 H VAL 23 -20.500 -0.968 4.413 138 HA VAL 23 HA VAL 23 -20.515 1.929 4.798 139 HB VAL 23 HB VAL 23 -18.597 1.243 3.250 140 HG11 VAL 23 1HG1 VAL 23 -20.514 -0.278 2.035 141 HG12 VAL 23 2HG1 VAL 23 -20.423 1.126 0.970 142 HG13 VAL 23 3HG1 VAL 23 -18.973 0.184 1.313 143 HG21 VAL 23 3HG2 VAL 23 -19.551 3.022 1.479 144 HG22 VAL 23 1HG2 VAL 23 -20.679 3.289 2.808 145 HG23 VAL 23 2HG2 VAL 23 -18.945 3.473 3.073 146 H ILE 24 H ILE 24 -22.260 2.988 3.840 147 HA ILE 24 HA ILE 24 -24.540 1.292 3.307 148 HB ILE 24 HB ILE 24 -24.294 4.300 3.417 149 HG12 ILE 24 1HG1 ILE 24 -23.992 2.882 5.538 150 HG13 ILE 24 2HG1 ILE 24 -25.182 4.177 5.595 151 HG21 ILE 24 1HG2 ILE 24 -26.114 3.686 1.949 152 HG22 ILE 24 2HG2 ILE 24 -26.745 2.565 3.155 153 HG23 ILE 24 3HG2 ILE 24 -26.759 4.300 3.471 154 HD11 ILE 24 3HD1 ILE 24 -26.076 2.225 6.654 155 HD12 ILE 24 1HD1 ILE 24 -26.948 2.510 5.148 156 HD13 ILE 24 2HD1 ILE 24 -25.725 1.242 5.232 157 H GLU 25 H GLU 25 -25.614 1.054 1.399 158 HA GLU 25 HA GLU 25 -24.241 1.229 -1.003 159 HB2 GLU 25 1HB GLU 25 -26.137 -0.237 -0.780 160 HB3 GLU 25 2HB GLU 25 -27.212 1.120 -0.474 161 HG2 GLU 25 1HG GLU 25 -26.826 1.928 -2.754 162 HG3 GLU 25 2HG GLU 25 -25.778 0.543 -3.057 163 H GLY 26 H GLY 26 -23.401 3.116 -1.691 164 HA2 GLY 26 1HA GLY 26 -24.049 4.974 -3.197 165 HA3 GLY 26 2HA GLY 26 -25.276 5.380 -2.005 166 H GLN 27 H GLN 27 -22.834 4.469 -0.129 167 HA GLN 27 HA GLN 27 -21.973 7.214 0.299 168 HB2 GLN 27 1HB GLN 27 -21.879 4.687 1.885 169 HB3 GLN 27 2HB GLN 27 -20.720 5.956 2.260 170 HG2 GLN 27 1HG GLN 27 -23.717 6.100 2.384 171 HG3 GLN 27 2HG GLN 27 -22.564 6.239 3.711 172 HE21 GLN 27 1HE2 GLN 27 -24.307 7.877 1.300 173 HE22 GLN 27 2HE2 GLN 27 -23.659 9.455 1.568 174 H ASP 28 H ASP 28 -19.602 7.494 0.949 175 HA ASP 28 HA ASP 28 -17.943 6.151 -1.077 176 HB2 ASP 28 1HB ASP 28 -16.475 8.136 -0.942 177 HB3 ASP 28 2HB ASP 28 -18.118 8.554 -1.421 178 H PHE 29 H PHE 29 -16.112 5.103 -0.504 179 HA PHE 29 HA PHE 29 -15.102 5.367 2.224 180 HB2 PHE 29 1HB PHE 29 -15.326 3.132 2.810 181 HB3 PHE 29 2HB PHE 29 -16.824 3.422 1.930 182 HD1 PHE 29 HD2 PHE 29 -13.338 2.230 1.379 183 HD2 PHE 29 HD1 PHE 29 -17.433 1.976 0.246 184 HE1 PHE 29 HE2 PHE 29 -12.798 0.374 -0.142 185 HE2 PHE 29 HE1 PHE 29 -16.900 0.118 -1.277 186 HZ PHE 29 HZ PHE 29 -14.580 -0.685 -1.473 187 H VAL 30 H VAL 30 -12.939 5.305 2.322 188 HA VAL 30 HA VAL 30 -11.481 4.316 -0.042 189 HB VAL 30 HB VAL 30 -11.260 6.679 -0.093 190 HG11 VAL 30 1HG1 VAL 30 -12.006 6.999 2.285 191 HG12 VAL 30 2HG1 VAL 30 -10.346 6.660 2.777 192 HG13 VAL 30 3HG1 VAL 30 -10.698 8.059 1.761 193 HG21 VAL 30 3HG2 VAL 30 -9.179 5.298 -0.375 194 HG22 VAL 30 1HG2 VAL 30 -8.906 6.980 0.079 195 HG23 VAL 30 2HG2 VAL 30 -8.766 5.706 1.290 196 H LEU 31 H LEU 31 -10.666 2.410 0.600 197 HA LEU 31 HA LEU 31 -9.925 1.766 3.244 198 HB2 LEU 31 1HB LEU 31 -9.263 0.521 0.589 199 HB3 LEU 31 2HB LEU 31 -8.710 -0.155 2.120 200 HG LEU 31 HG LEU 31 -11.629 0.308 1.644 201 HD11 LEU 31 1HD1 LEU 31 -11.328 -0.985 -0.216 202 HD12 LEU 31 2HD1 LEU 31 -11.502 -2.242 1.008 203 HD13 LEU 31 3HD1 LEU 31 -9.898 -1.787 0.434 204 HD21 LEU 31 3HD2 LEU 31 -10.431 -1.987 3.114 205 HD22 LEU 31 1HD2 LEU 31 -11.942 -1.124 3.402 206 HD23 LEU 31 2HD2 LEU 31 -10.406 -0.391 3.866 207 H GLN 32 H GLN 32 -8.395 2.920 4.257 208 HA GLN 32 HA GLN 32 -5.899 3.516 2.830 209 HB2 GLN 32 1HB GLN 32 -6.992 5.455 3.807 210 HB3 GLN 32 2HB GLN 32 -7.036 4.671 5.381 211 HG2 GLN 32 1HG GLN 32 -4.411 5.078 4.038 212 HG3 GLN 32 2HG GLN 32 -5.206 6.445 4.816 213 HE21 GLN 32 1HE2 GLN 32 -2.776 4.655 5.380 214 HE22 GLN 32 2HE2 GLN 32 -2.942 4.278 7.057 215 H CYS 33 H CYS 33 -3.955 2.757 3.513 216 HA CYS 33 HA CYS 33 -3.770 1.336 6.049 217 HB2 CYS 33 1HB CYS 33 -2.851 -0.681 5.037 218 HB3 CYS 33 2HB CYS 33 -4.469 -0.376 4.415 219 HG CYS 33 HG CYS 33 -3.321 0.904 2.053 220 H SER 34 H SER 34 -1.363 0.327 6.070 221 HA SER 34 HA SER 34 0.422 2.513 5.216 222 HB2 SER 34 1HB SER 34 0.656 0.799 7.702 223 HB3 SER 34 2HB SER 34 1.766 2.084 7.225 224 HG SER 34 HG SER 34 0.465 3.261 8.399 225 H VAL 35 H VAL 35 2.075 1.973 3.951 226 HA VAL 35 HA VAL 35 3.186 -0.721 4.046 227 HB VAL 35 HB VAL 35 1.499 -0.991 2.352 228 HG11 VAL 35 1HG1 VAL 35 1.622 1.629 1.906 229 HG12 VAL 35 2HG1 VAL 35 2.633 1.085 0.566 230 HG13 VAL 35 3HG1 VAL 35 0.976 0.499 0.716 231 HG21 VAL 35 3HG2 VAL 35 4.065 -1.648 2.015 232 HG22 VAL 35 1HG2 VAL 35 2.822 -2.012 0.817 233 HG23 VAL 35 2HG2 VAL 35 3.861 -0.602 0.609 234 H ARG 36 H ARG 36 5.316 -0.526 4.130 235 HA ARG 36 HA ARG 36 6.587 1.705 2.684 236 HB2 ARG 36 1HB ARG 36 7.526 0.548 5.313 237 HB3 ARG 36 2HB ARG 36 8.207 1.929 4.464 238 HG2 ARG 36 1HG ARG 36 6.150 3.182 4.829 239 HG3 ARG 36 2HG ARG 36 5.448 1.793 5.661 240 HD2 ARG 36 1HD ARG 36 6.222 3.231 7.361 241 HD3 ARG 36 2HD ARG 36 7.410 1.933 7.256 242 HE ARG 36 HE ARG 36 8.171 4.106 5.612 243 HH11 ARG 36 2HH1 ARG 36 7.986 3.124 8.947 244 HH12 ARG 36 1HH1 ARG 36 9.288 4.147 9.456 245 HH21 ARG 36 2HH2 ARG 36 9.887 5.457 6.270 246 HH22 ARG 36 1HH2 ARG 36 10.368 5.475 7.933 247 H GLY 37 H GLY 37 8.932 1.305 2.226 248 HA2 GLY 37 1HA GLY 37 10.357 -0.977 2.342 249 HA3 GLY 37 2HA GLY 37 9.203 -1.337 1.066 250 H THR 38 H THR 38 12.199 -0.901 1.140 251 HA THR 38 HA THR 38 12.303 1.149 -0.977 252 HB THR 38 HB THR 38 14.295 0.523 1.189 253 HG1 THR 38 HG1 THR 38 13.922 2.581 1.740 254 HG21 THR 38 3HG2 THR 38 15.760 0.555 -0.608 255 HG22 THR 38 1HG2 THR 38 15.722 2.253 -0.136 256 HG23 THR 38 2HG2 THR 38 14.779 1.701 -1.521 257 HA PRO 39 HA PRO 39 13.001 1.697 -2.751 258 HB2 PRO 39 1HB PRO 39 12.055 1.066 -5.216 259 HB3 PRO 39 2HB PRO 39 13.770 1.332 -4.885 260 HG2 PRO 39 1HG PRO 39 12.266 -1.244 -5.127 261 HG3 PRO 39 2HG PRO 39 13.858 -0.813 -5.778 262 HD2 PRO 39 1HD PRO 39 13.555 -2.289 -3.528 263 HD3 PRO 39 2HD PRO 39 14.919 -1.178 -3.765 264 H VAL 40 H VAL 40 10.818 2.328 -4.044 265 HA VAL 40 HA VAL 40 8.703 1.672 -2.284 266 HB VAL 40 HB VAL 40 8.616 3.033 -4.980 267 HG11 VAL 40 1HG1 VAL 40 6.477 3.822 -3.295 268 HG12 VAL 40 2HG1 VAL 40 6.401 2.993 -4.851 269 HG13 VAL 40 3HG1 VAL 40 6.495 2.060 -3.357 270 HG21 VAL 40 3HG2 VAL 40 9.936 4.024 -2.976 271 HG22 VAL 40 1HG2 VAL 40 8.834 5.060 -3.883 272 HG23 VAL 40 2HG2 VAL 40 8.337 4.391 -2.329 273 HA PRO 41 HA PRO 41 7.485 -2.154 -4.212 274 HB2 PRO 41 1HB PRO 41 5.335 -2.599 -2.615 275 HB3 PRO 41 2HB PRO 41 6.998 -2.886 -2.089 276 HG2 PRO 41 1HG PRO 41 5.218 -0.541 -1.547 277 HG3 PRO 41 2HG PRO 41 6.301 -1.403 -0.439 278 HD2 PRO 41 1HD PRO 41 6.970 0.955 -1.591 279 HD3 PRO 41 2HD PRO 41 8.171 -0.294 -1.205 280 H ARG 42 H ARG 42 5.718 -2.950 -5.452 281 HA ARG 42 HA ARG 42 4.224 -0.863 -6.767 282 HB2 ARG 42 1HB ARG 42 4.676 -3.780 -7.228 283 HB3 ARG 42 2HB ARG 42 3.298 -3.006 -7.998 284 HG2 ARG 42 1HG ARG 42 5.061 -2.960 -9.563 285 HG3 ARG 42 2HG ARG 42 4.909 -1.318 -8.936 286 HD2 ARG 42 1HD ARG 42 6.776 -1.716 -7.417 287 HD3 ARG 42 2HD ARG 42 6.914 -3.372 -8.009 288 HE ARG 42 HE ARG 42 7.169 -1.875 -10.253 289 HH11 ARG 42 2HH1 ARG 42 8.755 -1.856 -7.154 290 HH12 ARG 42 1HH1 ARG 42 10.259 -1.269 -7.781 291 HH21 ARG 42 2HH2 ARG 42 9.144 -1.101 -11.091 292 HH22 ARG 42 1HH2 ARG 42 10.479 -0.839 -10.021 293 H ILE 43 H ILE 43 2.252 -0.220 -6.228 294 HA ILE 43 HA ILE 43 0.699 -1.811 -4.337 295 HB ILE 43 HB ILE 43 0.139 0.971 -5.368 296 HG12 ILE 43 1HG1 ILE 43 2.240 0.987 -4.175 297 HG13 ILE 43 2HG1 ILE 43 1.005 1.701 -3.143 298 HG21 ILE 43 1HG2 ILE 43 -0.998 0.640 -2.859 299 HG22 ILE 43 2HG2 ILE 43 -1.843 0.655 -4.406 300 HG23 ILE 43 3HG2 ILE 43 -1.332 -0.876 -3.697 301 HD11 ILE 43 3HD1 ILE 43 0.818 -0.744 -2.220 302 HD12 ILE 43 1HD1 ILE 43 2.453 -0.877 -2.866 303 HD13 ILE 43 2HD1 ILE 43 2.079 0.350 -1.655 304 H THR 44 H THR 44 -0.536 -3.320 -5.260 305 HA THR 44 HA THR 44 -2.241 -2.507 -7.521 306 HB THR 44 HB THR 44 -0.973 -5.226 -7.135 307 HG1 THR 44 HG1 THR 44 -0.455 -3.064 -8.900 308 HG21 THR 44 3HG2 THR 44 -2.834 -5.862 -8.258 309 HG22 THR 44 1HG2 THR 44 -1.951 -5.237 -9.649 310 HG23 THR 44 2HG2 THR 44 -3.162 -4.234 -8.850 311 H TRP 45 H TRP 45 -4.334 -2.647 -7.078 312 HA TRP 45 HA TRP 45 -5.189 -4.237 -4.772 313 HB2 TRP 45 1HB TRP 45 -6.634 -2.086 -6.334 314 HB3 TRP 45 2HB TRP 45 -7.293 -2.932 -4.937 315 HD1 TRP 45 HD1 TRP 45 -4.432 -0.496 -5.835 316 HE1 TRP 45 HE1 TRP 45 -3.838 0.853 -3.724 317 HE3 TRP 45 HE3 TRP 45 -7.465 -2.871 -2.474 318 HZ2 TRP 45 HZ2 TRP 45 -4.560 0.903 -0.996 319 HZ3 TRP 45 HZ3 TRP 45 -7.454 -2.111 -0.133 320 HH2 TRP 45 HH2 TRP 45 -6.030 -0.264 0.588 321 H LEU 46 H LEU 46 -6.233 -6.099 -5.020 322 HA LEU 46 HA LEU 46 -7.350 -6.727 -7.671 323 HB2 LEU 46 1HB LEU 46 -6.525 -8.726 -5.583 324 HB3 LEU 46 2HB LEU 46 -6.875 -9.016 -7.286 325 HG LEU 46 HG LEU 46 -4.541 -7.335 -6.419 326 HD11 LEU 46 1HD1 LEU 46 -4.645 -9.763 -5.462 327 HD12 LEU 46 2HD1 LEU 46 -3.161 -9.158 -6.196 328 HD13 LEU 46 3HD1 LEU 46 -4.229 -10.218 -7.115 329 HD21 LEU 46 3HD2 LEU 46 -3.791 -8.506 -8.684 330 HD22 LEU 46 1HD2 LEU 46 -4.725 -7.010 -8.661 331 HD23 LEU 46 2HD2 LEU 46 -5.537 -8.553 -8.933 332 H LEU 47 H LEU 47 -9.435 -7.346 -7.849 333 HA LEU 47 HA LEU 47 -10.991 -7.549 -5.355 334 HB2 LEU 47 1HB LEU 47 -11.450 -5.540 -6.743 335 HB3 LEU 47 2HB LEU 47 -11.956 -6.607 -8.051 336 HG LEU 47 HG LEU 47 -13.696 -7.492 -6.370 337 HD11 LEU 47 1HD1 LEU 47 -14.386 -5.835 -4.688 338 HD12 LEU 47 2HD1 LEU 47 -12.953 -4.878 -5.064 339 HD13 LEU 47 3HD1 LEU 47 -12.779 -6.489 -4.368 340 HD21 LEU 47 3HD2 LEU 47 -14.873 -5.037 -6.794 341 HD22 LEU 47 1HD2 LEU 47 -14.872 -6.397 -7.917 342 HD23 LEU 47 2HD2 LEU 47 -13.654 -5.130 -8.066 343 H ASN 48 H ASN 48 -11.331 -9.657 -5.008 344 HA ASN 48 HA ASN 48 -12.274 -11.720 -5.272 345 HB2 ASN 48 1HB ASN 48 -13.122 -10.990 -8.066 346 HB3 ASN 48 2HB ASN 48 -13.882 -12.115 -6.944 347 HD21 ASN 48 1HD2 ASN 48 -15.232 -10.076 -8.312 348 HD22 ASN 48 2HD2 ASN 48 -15.823 -8.943 -7.149 349 H GLY 49 H GLY 49 -9.562 -11.236 -5.849 350 HA2 GLY 49 1HA GLY 49 -7.861 -12.685 -6.533 351 HA3 GLY 49 2HA GLY 49 -9.028 -13.550 -7.523 352 H GLN 50 H GLN 50 -10.016 -11.256 -8.931 353 HA GLN 50 HA GLN 50 -7.841 -10.980 -10.840 354 HB2 GLN 50 1HB GLN 50 -9.551 -10.028 -12.325 355 HB3 GLN 50 2HB GLN 50 -10.043 -11.591 -11.686 356 HG2 GLN 50 1HG GLN 50 -11.322 -10.282 -9.917 357 HG3 GLN 50 2HG GLN 50 -11.049 -8.869 -10.936 358 HE21 GLN 50 1HE2 GLN 50 -13.317 -10.963 -10.164 359 HE22 GLN 50 2HE2 GLN 50 -14.168 -11.109 -11.659 360 HA PRO 51 HA PRO 51 -6.684 -6.901 -9.686 361 HB2 PRO 51 1HB PRO 51 -5.778 -5.976 -12.072 362 HB3 PRO 51 2HB PRO 51 -4.893 -7.159 -11.102 363 HG2 PRO 51 1HG PRO 51 -6.664 -7.601 -13.474 364 HG3 PRO 51 2HG PRO 51 -5.099 -8.341 -13.093 365 HD2 PRO 51 1HD PRO 51 -7.453 -9.609 -12.665 366 HD3 PRO 51 2HD PRO 51 -6.031 -9.860 -11.632 367 H ILE 52 H ILE 52 -7.226 -4.678 -9.956 368 HA ILE 52 HA ILE 52 -9.866 -4.297 -11.157 369 HB ILE 52 HB ILE 52 -8.321 -2.507 -9.276 370 HG12 ILE 52 1HG1 ILE 52 -10.765 -4.196 -8.718 371 HG13 ILE 52 2HG1 ILE 52 -9.122 -4.704 -8.342 372 HG21 ILE 52 1HG2 ILE 52 -9.879 -1.307 -10.778 373 HG22 ILE 52 2HG2 ILE 52 -11.194 -2.309 -10.166 374 HG23 ILE 52 3HG2 ILE 52 -10.344 -1.211 -9.080 375 HD11 ILE 52 3HD1 ILE 52 -8.908 -3.204 -6.627 376 HD12 ILE 52 1HD1 ILE 52 -10.112 -2.102 -7.293 377 HD13 ILE 52 2HD1 ILE 52 -10.622 -3.604 -6.522 378 H GLN 53 H GLN 53 -10.334 -2.561 -12.544 379 HA GLN 53 HA GLN 53 -7.993 -1.559 -14.012 380 HB2 GLN 53 1HB GLN 53 -9.472 -1.267 -15.916 381 HB3 GLN 53 2HB GLN 53 -9.594 -2.914 -15.312 382 HG2 GLN 53 1HG GLN 53 -11.633 -2.106 -14.015 383 HG3 GLN 53 2HG GLN 53 -11.567 -0.675 -15.042 384 HE21 GLN 53 1HE2 GLN 53 -13.400 -3.115 -14.733 385 HE22 GLN 53 2HE2 GLN 53 -13.654 -3.631 -16.362 386 H TYR 54 H TYR 54 -11.158 -0.558 -12.757 387 HA TYR 54 HA TYR 54 -10.464 2.245 -13.165 388 HB2 TYR 54 1HB TYR 54 -12.778 2.705 -12.487 389 HB3 TYR 54 2HB TYR 54 -12.720 1.517 -13.785 390 HD1 TYR 54 HD2 TYR 54 -13.059 -0.912 -13.228 391 HD2 TYR 54 HD1 TYR 54 -13.773 2.190 -10.405 392 HE1 TYR 54 HE2 TYR 54 -14.412 -2.460 -11.878 393 HE2 TYR 54 HE1 TYR 54 -15.127 0.650 -9.046 394 HH TYR 54 HH TYR 54 -15.771 -2.666 -10.122 395 H ALA 55 H ALA 55 -8.823 1.008 -11.324 396 HA ALA 55 HA ALA 55 -9.826 1.766 -8.682 397 HB1 ALA 55 3HB ALA 55 -8.315 -0.365 -9.497 398 HB2 ALA 55 1HB ALA 55 -7.102 0.723 -8.824 399 HB3 ALA 55 2HB ALA 55 -8.467 0.204 -7.835 400 H ARG 56 H ARG 56 -9.572 3.842 -8.174 401 HA ARG 56 HA ARG 56 -7.262 5.316 -9.190 402 HB2 ARG 56 1HB ARG 56 -9.822 6.182 -7.850 403 HB3 ARG 56 2HB ARG 56 -8.493 7.291 -8.162 404 HG2 ARG 56 1HG ARG 56 -8.720 6.399 -10.611 405 HG3 ARG 56 2HG ARG 56 -10.344 5.962 -10.076 406 HD2 ARG 56 1HD ARG 56 -9.239 8.713 -9.624 407 HD3 ARG 56 2HD ARG 56 -9.989 8.269 -11.157 408 HE ARG 56 HE ARG 56 -11.779 7.528 -9.199 409 HH11 ARG 56 2HH1 ARG 56 -10.252 10.473 -10.256 410 HH12 ARG 56 1HH1 ARG 56 -11.573 11.485 -9.773 411 HH21 ARG 56 2HH2 ARG 56 -13.525 8.850 -8.559 412 HH22 ARG 56 1HH2 ARG 56 -13.434 10.560 -8.807 413 H SER 57 H SER 57 -6.033 3.810 -7.629 414 HA SER 57 HA SER 57 -6.156 4.558 -4.841 415 HB2 SER 57 1HB SER 57 -5.616 2.286 -5.181 416 HB3 SER 57 2HB SER 57 -4.428 2.666 -6.428 417 HG SER 57 HG SER 57 -4.198 3.312 -3.671 418 H THR 58 H THR 58 -4.401 5.480 -3.661 419 HA THR 58 HA THR 58 -2.352 6.869 -5.216 420 HB THR 58 HB THR 58 -2.783 8.980 -3.915 421 HG1 THR 58 HG1 THR 58 -4.331 7.599 -2.484 422 HG21 THR 58 3HG2 THR 58 -3.828 9.706 -5.747 423 HG22 THR 58 1HG2 THR 58 -5.286 8.803 -5.339 424 HG23 THR 58 2HG2 THR 58 -3.992 8.024 -6.250 425 H CYS 59 H CYS 59 -0.477 6.368 -4.308 426 HA CYS 59 HA CYS 59 -0.386 5.719 -1.457 427 HB2 CYS 59 1HB CYS 59 1.854 4.791 -1.966 428 HB3 CYS 59 2HB CYS 59 0.585 4.062 -2.943 429 HG CYS 59 HG CYS 59 3.014 4.450 -4.406 430 H GLU 60 H GLU 60 0.344 7.138 -0.027 431 HA GLU 60 HA GLU 60 2.247 9.197 -0.918 432 HB2 GLU 60 1HB GLU 60 -0.365 9.537 0.474 433 HB3 GLU 60 2HB GLU 60 0.958 10.596 0.943 434 HG2 GLU 60 1HG GLU 60 1.000 11.673 -1.066 435 HG3 GLU 60 2HG GLU 60 0.367 10.285 -1.949 436 H ALA 61 H ALA 61 4.015 9.326 0.300 437 HA ALA 61 HA ALA 61 5.544 8.760 1.906 438 HB1 ALA 61 3HB ALA 61 3.602 10.412 2.972 439 HB2 ALA 61 1HB ALA 61 3.769 9.128 4.171 440 HB3 ALA 61 2HB ALA 61 5.181 10.062 3.676 441 H GLY 62 H GLY 62 4.142 6.516 0.880 442 HA2 GLY 62 1HA GLY 62 4.144 4.251 1.342 443 HA3 GLY 62 2HA GLY 62 4.718 4.624 2.961 444 H VAL 63 H VAL 63 1.802 5.985 1.566 445 HA VAL 63 HA VAL 63 0.206 4.317 3.399 446 HB VAL 63 HB VAL 63 -0.271 7.231 2.757 447 HG11 VAL 63 1HG1 VAL 63 -1.753 6.350 4.997 448 HG12 VAL 63 2HG1 VAL 63 -2.358 6.901 3.434 449 HG13 VAL 63 3HG1 VAL 63 -2.022 5.189 3.697 450 HG21 VAL 63 3HG2 VAL 63 0.053 7.121 5.437 451 HG22 VAL 63 1HG2 VAL 63 1.170 5.856 4.924 452 HG23 VAL 63 2HG2 VAL 63 1.350 7.497 4.303 453 H ALA 64 H ALA 64 -0.440 2.886 1.798 454 HA ALA 64 HA ALA 64 -1.483 3.710 -0.716 455 HB1 ALA 64 3HB ALA 64 -1.502 1.118 0.790 456 HB2 ALA 64 1HB ALA 64 -2.379 1.305 -0.729 457 HB3 ALA 64 2HB ALA 64 -0.631 1.539 -0.684 458 H GLU 65 H GLU 65 -3.548 4.065 -1.378 459 HA GLU 65 HA GLU 65 -5.769 3.545 0.426 460 HB2 GLU 65 1HB GLU 65 -5.360 6.328 -0.661 461 HB3 GLU 65 2HB GLU 65 -6.568 5.791 0.499 462 HG2 GLU 65 1HG GLU 65 -4.570 5.202 1.998 463 HG3 GLU 65 2HG GLU 65 -3.635 6.221 0.905 464 H LEU 66 H LEU 66 -7.776 3.455 -0.600 465 HA LEU 66 HA LEU 66 -7.736 3.741 -3.529 466 HB2 LEU 66 1HB LEU 66 -7.556 1.390 -3.000 467 HB3 LEU 66 2HB LEU 66 -8.944 1.497 -1.920 468 HG LEU 66 HG LEU 66 -10.244 2.190 -4.051 469 HD11 LEU 66 1HD1 LEU 66 -8.752 2.489 -5.744 470 HD12 LEU 66 2HD1 LEU 66 -9.115 0.781 -5.986 471 HD13 LEU 66 3HD1 LEU 66 -7.644 1.258 -5.139 472 HD21 LEU 66 3HD2 LEU 66 -9.330 -0.660 -4.042 473 HD22 LEU 66 1HD2 LEU 66 -10.942 -0.004 -4.322 474 HD23 LEU 66 2HD2 LEU 66 -10.264 -0.011 -2.693 475 H HIS 67 H HIS 67 -8.882 5.627 -3.616 476 HA HIS 67 HA HIS 67 -11.217 6.115 -2.051 477 HB2 HIS 67 1HB HIS 67 -10.136 7.500 -4.513 478 HB3 HIS 67 2HB HIS 67 -11.509 8.079 -3.574 479 HD1 HIS 67 HD1 HIS 67 -10.919 9.770 -1.879 480 HD2 HIS 67 HD2 HIS 67 -7.716 7.265 -2.729 481 HE1 HIS 67 HE1 HIS 67 -8.998 10.648 -0.514 482 HE2 HIS 67 HE2 HIS 67 -7.049 9.168 -1.110 483 H ILE 68 H ILE 68 -12.934 4.824 -2.327 484 HA ILE 68 HA ILE 68 -13.829 4.274 -5.079 485 HB ILE 68 HB ILE 68 -14.388 2.729 -2.545 486 HG12 ILE 68 1HG1 ILE 68 -12.143 2.346 -3.403 487 HG13 ILE 68 2HG1 ILE 68 -13.140 0.926 -3.702 488 HG21 ILE 68 1HG2 ILE 68 -15.153 1.372 -4.949 489 HG22 ILE 68 2HG2 ILE 68 -16.130 1.780 -3.540 490 HG23 ILE 68 3HG2 ILE 68 -15.962 2.936 -4.861 491 HD11 ILE 68 3HD1 ILE 68 -13.503 1.840 -6.028 492 HD12 ILE 68 1HD1 ILE 68 -12.219 2.994 -5.669 493 HD13 ILE 68 2HD1 ILE 68 -11.880 1.262 -5.652 494 H GLN 69 H GLN 69 -15.481 5.483 -5.707 495 HA GLN 69 HA GLN 69 -17.323 6.554 -3.694 496 HB2 GLN 69 1HB GLN 69 -18.024 8.129 -5.444 497 HB3 GLN 69 2HB GLN 69 -16.289 8.198 -5.169 498 HG2 GLN 69 1HG GLN 69 -17.335 6.436 -7.325 499 HG3 GLN 69 2HG GLN 69 -17.276 8.177 -7.591 500 HE21 GLN 69 1HE2 GLN 69 -15.816 6.613 -9.203 501 HE22 GLN 69 2HE2 GLN 69 -14.133 6.755 -8.842 502 H ASP 70 H ASP 70 -19.638 6.676 -4.292 503 HA ASP 70 HA ASP 70 -21.597 5.591 -4.707 504 HB2 ASP 70 1HB ASP 70 -20.058 5.100 -7.249 505 HB3 ASP 70 2HB ASP 70 -21.709 4.521 -7.044 506 H ALA 71 H ALA 71 -19.856 4.168 -3.073 507 HA ALA 71 HA ALA 71 -19.172 1.600 -3.659 508 HB1 ALA 71 3HB ALA 71 -18.936 1.315 -1.440 509 HB2 ALA 71 1HB ALA 71 -19.297 3.041 -1.375 510 HB3 ALA 71 2HB ALA 71 -20.576 1.860 -1.089 511 H LEU 72 H LEU 72 -20.439 0.443 -5.042 512 HA LEU 72 HA LEU 72 -23.273 0.103 -4.460 513 HB2 LEU 72 1HB LEU 72 -21.497 -0.622 -6.760 514 HB3 LEU 72 2HB LEU 72 -23.092 -1.352 -6.590 515 HG LEU 72 HG LEU 72 -22.722 1.628 -6.655 516 HD11 LEU 72 1HD1 LEU 72 -21.923 0.035 -8.721 517 HD12 LEU 72 2HD1 LEU 72 -22.492 1.696 -8.878 518 HD13 LEU 72 3HD1 LEU 72 -23.608 0.354 -9.132 519 HD21 LEU 72 3HD2 LEU 72 -24.859 0.750 -5.843 520 HD22 LEU 72 1HD2 LEU 72 -25.045 -0.171 -7.335 521 HD23 LEU 72 2HD2 LEU 72 -25.045 1.592 -7.381 522 HA PRO 73 HA PRO 73 -22.965 -3.833 -2.544 523 HB2 PRO 73 1HB PRO 73 -25.164 -5.095 -3.514 524 HB3 PRO 73 2HB PRO 73 -25.252 -3.787 -2.328 525 HG2 PRO 73 1HG PRO 73 -25.660 -3.688 -5.292 526 HG3 PRO 73 2HG PRO 73 -26.597 -2.904 -4.007 527 HD2 PRO 73 1HD PRO 73 -24.742 -1.582 -5.471 528 HD3 PRO 73 2HD PRO 73 -25.077 -1.188 -3.773 529 H GLU 74 H GLU 74 -22.561 -3.461 -5.855 530 HA GLU 74 HA GLU 74 -22.127 -6.314 -6.344 531 HB2 GLU 74 1HB GLU 74 -21.926 -5.696 -8.701 532 HB3 GLU 74 2HB GLU 74 -23.425 -5.082 -8.017 533 HG2 GLU 74 1HG GLU 74 -22.244 -2.881 -7.701 534 HG3 GLU 74 2HG GLU 74 -20.930 -3.544 -8.671 535 H ASP 75 H ASP 75 -20.426 -3.512 -5.506 536 HA ASP 75 HA ASP 75 -17.921 -4.281 -6.730 537 HB2 ASP 75 1HB ASP 75 -18.882 -1.996 -5.077 538 HB3 ASP 75 2HB ASP 75 -17.157 -2.350 -5.062 539 H HIS 76 H HIS 76 -19.476 -4.500 -3.599 540 HA HIS 76 HA HIS 76 -17.460 -5.014 -1.861 541 HB2 HIS 76 1HB HIS 76 -19.012 -6.027 -0.497 542 HB3 HIS 76 2HB HIS 76 -20.086 -5.208 -1.627 543 HD1 HIS 76 HD1 HIS 76 -20.131 -7.134 -3.959 544 HD2 HIS 76 HD2 HIS 76 -20.280 -8.366 0.006 545 HE1 HIS 76 HE1 HIS 76 -21.192 -9.414 -4.002 546 HE2 HIS 76 HE2 HIS 76 -21.350 -10.102 -1.585 547 H GLY 77 H GLY 77 -16.140 -6.720 -1.289 548 HA2 GLY 77 1HA GLY 77 -16.269 -9.333 -2.258 549 HA3 GLY 77 2HA GLY 77 -15.267 -8.418 -3.375 550 H THR 78 H THR 78 -13.217 -8.927 -2.996 551 HA THR 78 HA THR 78 -12.233 -8.725 -0.233 552 HB THR 78 HB THR 78 -11.373 -10.880 -2.173 553 HG1 THR 78 HG1 THR 78 -12.820 -11.237 0.246 554 HG21 THR 78 3HG2 THR 78 -10.777 -11.059 0.712 555 HG22 THR 78 1HG2 THR 78 -9.894 -9.820 -0.180 556 HG23 THR 78 2HG2 THR 78 -9.791 -11.509 -0.679 557 H TYR 79 H TYR 79 -11.158 -6.825 -0.463 558 HA TYR 79 HA TYR 79 -9.566 -6.228 -2.774 559 HB2 TYR 79 1HB TYR 79 -10.012 -4.855 -0.133 560 HB3 TYR 79 2HB TYR 79 -8.817 -4.267 -1.284 561 HD1 TYR 79 HD1 TYR 79 -9.528 -3.361 -3.458 562 HD2 TYR 79 HD2 TYR 79 -12.365 -4.570 -0.527 563 HE1 TYR 79 HE1 TYR 79 -11.283 -2.118 -4.653 564 HE2 TYR 79 HE2 TYR 79 -14.128 -3.332 -1.713 565 HH TYR 79 HH TYR 79 -14.535 -2.541 -4.100 566 H THR 80 H THR 80 -7.611 -7.010 -3.141 567 HA THR 80 HA THR 80 -5.912 -7.712 -0.836 568 HB THR 80 HB THR 80 -5.888 -8.958 -3.592 569 HG1 THR 80 HG1 THR 80 -7.099 -9.642 -1.162 570 HG21 THR 80 3HG2 THR 80 -4.489 -10.196 -1.295 571 HG22 THR 80 1HG2 THR 80 -3.749 -8.754 -1.987 572 HG23 THR 80 2HG2 THR 80 -4.053 -10.163 -3.003 573 H CYS 81 H CYS 81 -4.453 -6.146 -0.570 574 HA CYS 81 HA CYS 81 -3.383 -4.730 -2.880 575 HB2 CYS 81 1HB CYS 81 -4.140 -3.680 -0.609 576 HB3 CYS 81 2HB CYS 81 -2.554 -4.195 -0.048 577 HG CYS 81 HG CYS 81 -3.047 -2.126 -2.730 578 H LEU 82 H LEU 82 -1.793 -5.774 -3.903 579 HA LEU 82 HA LEU 82 0.152 -7.324 -2.376 580 HB2 LEU 82 1HB LEU 82 -0.659 -8.481 -4.258 581 HB3 LEU 82 2HB LEU 82 -0.474 -7.072 -5.301 582 HG LEU 82 HG LEU 82 1.947 -7.320 -5.239 583 HD11 LEU 82 1HD1 LEU 82 1.454 -9.787 -3.578 584 HD12 LEU 82 2HD1 LEU 82 2.096 -8.263 -2.964 585 HD13 LEU 82 3HD1 LEU 82 3.012 -9.191 -4.152 586 HD21 LEU 82 3HD2 LEU 82 1.849 -9.878 -6.109 587 HD22 LEU 82 1HD2 LEU 82 1.351 -8.485 -7.069 588 HD23 LEU 82 2HD2 LEU 82 0.144 -9.435 -6.202 589 H ALA 83 H ALA 83 1.966 -6.406 -1.709 590 HA ALA 83 HA ALA 83 3.137 -4.247 -3.339 591 HB1 ALA 83 3HB ALA 83 4.025 -3.913 -0.695 592 HB2 ALA 83 1HB ALA 83 2.928 -2.876 -1.608 593 HB3 ALA 83 2HB ALA 83 2.283 -4.177 -0.607 594 H GLU 84 H GLU 84 4.742 -5.315 -4.371 595 HA GLU 84 HA GLU 84 6.731 -6.677 -2.679 596 HB2 GLU 84 1HB GLU 84 7.138 -8.291 -4.420 597 HB3 GLU 84 2HB GLU 84 5.419 -8.284 -4.051 598 HG2 GLU 84 1HG GLU 84 5.102 -6.765 -6.021 599 HG3 GLU 84 2HG GLU 84 6.790 -7.064 -6.431 600 H ASN 85 H ASN 85 8.911 -6.470 -3.302 601 HA ASN 85 HA ASN 85 9.492 -4.534 -5.425 602 HB2 ASN 85 1HB ASN 85 10.933 -3.222 -4.023 603 HB3 ASN 85 2HB ASN 85 9.379 -3.356 -3.205 604 HD21 ASN 85 1HD2 ASN 85 10.890 -2.678 -1.423 605 HD22 ASN 85 2HD2 ASN 85 11.626 -3.943 -0.505 606 H ALA 86 H ALA 86 12.132 -4.311 -5.318 607 HA ALA 86 HA ALA 86 13.079 -6.762 -6.323 608 HB1 ALA 86 3HB ALA 86 14.378 -4.167 -5.605 609 HB2 ALA 86 1HB ALA 86 15.364 -5.561 -6.049 610 HB3 ALA 86 2HB ALA 86 14.178 -4.921 -7.187 611 H LEU 87 H LEU 87 12.840 -5.567 -3.126 612 HA LEU 87 HA LEU 87 14.927 -7.272 -2.060 613 HB2 LEU 87 1HB LEU 87 13.081 -5.215 -0.978 614 HB3 LEU 87 2HB LEU 87 13.696 -6.431 0.139 615 HG LEU 87 HG LEU 87 14.955 -4.243 0.053 616 HD11 LEU 87 1HD1 LEU 87 15.999 -6.968 -0.031 617 HD12 LEU 87 2HD1 LEU 87 16.324 -5.660 1.106 618 HD13 LEU 87 3HD1 LEU 87 17.196 -5.734 -0.425 619 HD21 LEU 87 3HD2 LEU 87 15.391 -5.227 -2.719 620 HD22 LEU 87 1HD2 LEU 87 16.722 -4.408 -1.901 621 HD23 LEU 87 2HD2 LEU 87 15.180 -3.580 -2.121 622 H GLY 88 H GLY 88 11.550 -6.911 -0.994 623 HA2 GLY 88 1HA GLY 88 11.349 -9.858 -0.980 624 HA3 GLY 88 2HA GLY 88 10.772 -8.885 0.365 625 H GLN 89 H GLN 89 8.729 -9.994 -0.029 626 HA GLN 89 HA GLN 89 7.016 -8.397 -1.701 627 HB2 GLN 89 1HB GLN 89 6.102 -10.289 -2.987 628 HB3 GLN 89 2HB GLN 89 7.797 -9.999 -3.354 629 HG2 GLN 89 1HG GLN 89 8.470 -11.868 -2.015 630 HG3 GLN 89 2HG GLN 89 6.819 -12.104 -1.442 631 HE21 GLN 89 1HE2 GLN 89 5.286 -12.043 -3.578 632 HE22 GLN 89 2HE2 GLN 89 5.729 -13.254 -4.728 633 H VAL 90 H VAL 90 5.138 -8.133 -0.687 634 HA VAL 90 HA VAL 90 4.204 -10.244 1.138 635 HB VAL 90 HB VAL 90 3.487 -8.580 2.763 636 HG11 VAL 90 1HG1 VAL 90 6.086 -9.390 2.296 637 HG12 VAL 90 2HG1 VAL 90 6.229 -7.651 2.556 638 HG13 VAL 90 3HG1 VAL 90 5.469 -8.667 3.781 639 HG21 VAL 90 3HG2 VAL 90 4.308 -6.221 2.514 640 HG22 VAL 90 1HG2 VAL 90 4.706 -6.609 0.840 641 HG23 VAL 90 2HG2 VAL 90 3.032 -6.686 1.389 642 H SER 91 H SER 91 1.894 -10.106 1.642 643 HA SER 91 HA SER 91 0.257 -8.504 -0.146 644 HB2 SER 91 1HB SER 91 -0.999 -10.541 -0.927 645 HB3 SER 91 2HB SER 91 0.643 -10.413 -1.558 646 HG SER 91 HG SER 91 0.208 -11.839 0.814 647 H CYS 92 H CYS 92 -1.725 -8.054 0.684 648 HA CYS 92 HA CYS 92 -2.570 -9.513 3.092 649 HB2 CYS 92 1HB CYS 92 -3.237 -7.399 4.144 650 HB3 CYS 92 2HB CYS 92 -1.511 -7.421 3.805 651 HG CYS 92 HG CYS 92 -3.718 -5.195 2.938 652 H SER 93 H SER 93 -4.884 -9.102 3.640 653 HA SER 93 HA SER 93 -6.562 -8.246 1.425 654 HB2 SER 93 1HB SER 93 -6.117 -10.642 0.970 655 HB3 SER 93 2HB SER 93 -6.769 -11.048 2.558 656 HG SER 93 HG SER 93 -8.158 -11.006 0.465 657 H ALA 94 H ALA 94 -8.757 -7.897 2.020 658 HA ALA 94 HA ALA 94 -9.441 -8.160 4.844 659 HB1 ALA 94 3HB ALA 94 -10.330 -5.628 4.406 660 HB2 ALA 94 1HB ALA 94 -8.826 -6.039 5.231 661 HB3 ALA 94 2HB ALA 94 -8.807 -5.625 3.517 662 H TRP 95 H TRP 95 -11.642 -8.231 5.252 663 HA TRP 95 HA TRP 95 -13.299 -8.700 2.897 664 HB2 TRP 95 1HB TRP 95 -13.293 -10.392 4.681 665 HB3 TRP 95 2HB TRP 95 -13.873 -9.188 5.829 666 HD1 TRP 95 HD1 TRP 95 -16.444 -8.487 5.685 667 HE1 TRP 95 HE1 TRP 95 -18.476 -9.601 4.564 668 HE3 TRP 95 HE3 TRP 95 -13.989 -11.767 2.627 669 HZ2 TRP 95 HZ2 TRP 95 -18.972 -11.605 2.640 670 HZ3 TRP 95 HZ3 TRP 95 -15.316 -13.248 1.178 671 HH2 TRP 95 HH2 TRP 95 -17.756 -13.168 1.186 672 H VAL 96 H VAL 96 -14.723 -7.269 2.166 673 HA VAL 96 HA VAL 96 -15.570 -5.091 3.965 674 HB VAL 96 HB VAL 96 -15.129 -4.973 0.978 675 HG11 VAL 96 1HG1 VAL 96 -15.932 -2.715 2.799 676 HG12 VAL 96 2HG1 VAL 96 -15.832 -2.706 1.037 677 HG13 VAL 96 3HG1 VAL 96 -17.085 -3.648 1.846 678 HG21 VAL 96 3HG2 VAL 96 -13.011 -4.668 1.702 679 HG22 VAL 96 1HG2 VAL 96 -13.583 -3.032 2.026 680 HG23 VAL 96 2HG2 VAL 96 -13.517 -4.217 3.330 681 H THR 97 H THR 97 -17.706 -4.607 4.086 682 HA THR 97 HA THR 97 -19.541 -6.116 2.344 683 HB THR 97 HB THR 97 -20.106 -5.526 5.249 684 HG1 THR 97 HG1 THR 97 -19.062 -7.298 5.761 685 HG21 THR 97 3HG2 THR 97 -21.723 -6.377 3.122 686 HG22 THR 97 1HG2 THR 97 -22.128 -6.371 4.838 687 HG23 THR 97 2HG2 THR 97 -21.426 -7.813 4.102 688 H VAL 98 H VAL 98 -21.190 -4.992 1.473 689 HA VAL 98 HA VAL 98 -21.458 -2.168 2.268 690 HB VAL 98 HB VAL 98 -22.225 -3.397 -0.381 691 HG11 VAL 98 1HG1 VAL 98 -22.723 -0.844 0.850 692 HG12 VAL 98 2HG1 VAL 98 -21.772 -0.649 -0.623 693 HG13 VAL 98 3HG1 VAL 98 -23.323 -1.487 -0.679 694 HG21 VAL 98 3HG2 VAL 98 -19.754 -3.428 0.147 695 HG22 VAL 98 1HG2 VAL 98 -20.218 -2.548 -1.309 696 HG23 VAL 98 2HG2 VAL 98 -19.824 -1.666 0.166 697 H HIS 99 H HIS 99 -23.250 -1.664 3.325 698 HA HIS 99 HA HIS 99 -25.388 -3.443 3.737 699 HB2 HIS 99 1HB HIS 99 -25.231 -0.451 4.144 700 HB3 HIS 99 2HB HIS 99 -26.547 -1.465 4.727 701 HD1 HIS 99 HD1 HIS 99 -25.627 -3.513 6.373 702 HD2 HIS 99 HD2 HIS 99 -23.281 -0.106 5.980 703 HE1 HIS 99 HE1 HIS 99 -24.082 -3.527 8.358 704 HE2 HIS 99 HE2 HIS 99 -22.731 -1.412 8.144 Start of MODEL 4 1 H1 GLY 1 H GLY 1 37.415 4.585 -2.416 2 HA2 GLY 1 1HA GLY 1 34.933 4.460 -0.815 3 HA3 GLY 1 2HA GLY 1 35.795 5.967 -1.093 4 H SER 2 H SER 2 33.091 4.528 -1.917 5 HA SER 2 HA SER 2 33.140 5.601 -4.659 6 HB2 SER 2 1HB SER 2 33.059 3.030 -4.440 7 HB3 SER 2 2HB SER 2 31.406 3.267 -3.874 8 HG SER 2 HG SER 2 32.452 4.190 -6.348 9 H SER 3 H SER 3 30.849 6.015 -5.471 10 HA SER 3 HA SER 3 29.374 7.382 -3.331 11 HB2 SER 3 1HB SER 3 28.413 8.775 -5.097 12 HB3 SER 3 2HB SER 3 30.173 8.788 -5.204 13 HG SER 3 HG SER 3 28.296 7.758 -6.952 14 H GLY 4 H GLY 4 26.982 7.469 -3.578 15 HA2 GLY 4 1HA GLY 4 25.642 5.490 -5.142 16 HA3 GLY 4 2HA GLY 4 25.818 4.974 -3.471 17 H SER 5 H SER 5 23.662 5.035 -2.946 18 HA SER 5 HA SER 5 22.364 7.676 -3.085 19 HB2 SER 5 1HB SER 5 21.097 4.928 -2.975 20 HB3 SER 5 2HB SER 5 20.211 6.454 -2.977 21 HG SER 5 HG SER 5 22.033 5.745 -5.023 22 H SER 6 H SER 6 21.761 8.648 -1.248 23 HA SER 6 HA SER 6 22.639 7.618 1.253 24 HB2 SER 6 1HB SER 6 22.420 10.080 0.540 25 HB3 SER 6 2HB SER 6 20.708 9.911 0.928 26 HG SER 6 HG SER 6 22.479 10.573 2.607 27 H GLY 7 H GLY 7 21.644 5.851 2.038 28 HA2 GLY 7 1HA GLY 7 19.683 5.415 3.545 29 HA3 GLY 7 2HA GLY 7 18.693 5.905 2.178 30 H MET 8 H MET 8 20.039 3.308 3.793 31 HA MET 8 HA MET 8 20.526 1.516 1.659 32 HB2 MET 8 1HB MET 8 20.616 -0.198 3.312 33 HB3 MET 8 2HB MET 8 21.313 1.246 4.035 34 HG2 MET 8 1HG MET 8 18.425 0.612 4.441 35 HG3 MET 8 2HG MET 8 19.660 -0.209 5.393 36 HE1 MET 8 3HE MET 8 20.705 1.015 7.692 37 HE2 MET 8 1HE MET 8 19.342 1.945 8.314 38 HE3 MET 8 2HE MET 8 19.064 0.388 7.534 39 H GLU 9 H GLU 9 19.244 -0.389 1.117 40 HA GLU 9 HA GLU 9 16.479 0.325 0.707 41 HB2 GLU 9 1HB GLU 9 18.073 -2.106 -0.116 42 HB3 GLU 9 2HB GLU 9 16.396 -1.828 -0.562 43 HG2 GLU 9 1HG GLU 9 16.914 -0.195 -2.059 44 HG3 GLU 9 2HG GLU 9 18.367 0.296 -1.190 45 H VAL 10 H VAL 10 14.836 -1.554 0.960 46 HA VAL 10 HA VAL 10 15.272 -3.233 3.277 47 HB VAL 10 HB VAL 10 12.982 -2.242 4.190 48 HG11 VAL 10 1HG1 VAL 10 15.431 -0.661 4.839 49 HG12 VAL 10 2HG1 VAL 10 14.194 -1.308 5.917 50 HG13 VAL 10 3HG1 VAL 10 15.386 -2.388 5.192 51 HG21 VAL 10 3HG2 VAL 10 12.769 0.113 3.929 52 HG22 VAL 10 1HG2 VAL 10 14.301 0.219 3.062 53 HG23 VAL 10 2HG2 VAL 10 12.916 -0.571 2.310 54 H ALA 11 H ALA 11 13.193 -4.472 3.800 55 HA ALA 11 HA ALA 11 12.071 -5.388 1.266 56 HB1 ALA 11 3HB ALA 11 12.170 -6.572 4.024 57 HB2 ALA 11 1HB ALA 11 11.157 -7.249 2.749 58 HB3 ALA 11 2HB ALA 11 12.906 -7.173 2.538 59 HA PRO 12 HA PRO 12 8.108 -3.585 1.842 60 HB2 PRO 12 1HB PRO 12 6.526 -5.443 0.653 61 HB3 PRO 12 2HB PRO 12 7.589 -4.363 -0.257 62 HG2 PRO 12 1HG PRO 12 8.024 -7.213 0.549 63 HG3 PRO 12 2HG PRO 12 8.372 -6.423 -1.000 64 HD2 PRO 12 1HD PRO 12 10.289 -6.910 0.849 65 HD3 PRO 12 2HD PRO 12 10.341 -5.503 -0.233 66 H SER 13 H SER 13 6.517 -3.539 3.343 67 HA SER 13 HA SER 13 5.492 -5.913 4.586 68 HB2 SER 13 1HB SER 13 7.790 -5.229 5.713 69 HB3 SER 13 2HB SER 13 6.772 -4.055 6.547 70 HG SER 13 HG SER 13 6.323 -6.858 6.467 71 H PHE 14 H PHE 14 3.818 -5.411 6.206 72 HA PHE 14 HA PHE 14 2.585 -2.795 5.651 73 HB2 PHE 14 1HB PHE 14 1.340 -5.480 6.248 74 HB3 PHE 14 2HB PHE 14 0.427 -3.975 6.274 75 HD1 PHE 14 HD2 PHE 14 0.471 -2.552 4.130 76 HD2 PHE 14 HD1 PHE 14 1.591 -6.656 4.272 77 HE1 PHE 14 HE2 PHE 14 0.103 -2.733 1.704 78 HE2 PHE 14 HE1 PHE 14 1.226 -6.844 1.846 79 HZ PHE 14 HZ PHE 14 0.480 -4.881 0.559 80 H SER 15 H SER 15 2.412 -1.427 7.291 81 HA SER 15 HA SER 15 2.931 -2.390 9.999 82 HB2 SER 15 1HB SER 15 4.255 -0.486 9.263 83 HB3 SER 15 2HB SER 15 2.792 0.418 8.873 84 HG SER 15 HG SER 15 3.473 1.078 10.881 85 H SER 16 H SER 16 0.420 -0.926 8.060 86 HA SER 16 HA SER 16 -1.421 -1.194 10.344 87 HB2 SER 16 1HB SER 16 -0.732 1.220 9.490 88 HB3 SER 16 2HB SER 16 -1.949 0.881 8.260 89 HG SER 16 HG SER 16 -3.169 0.198 10.362 90 H VAL 17 H VAL 17 -1.139 -3.307 8.735 91 HA VAL 17 HA VAL 17 -2.347 -3.682 6.383 92 HB VAL 17 HB VAL 17 -3.196 -5.866 7.160 93 HG11 VAL 17 1HG1 VAL 17 -0.468 -5.187 8.255 94 HG12 VAL 17 2HG1 VAL 17 -1.051 -6.796 7.823 95 HG13 VAL 17 3HG1 VAL 17 -0.828 -5.571 6.572 96 HG21 VAL 17 3HG2 VAL 17 -2.958 -4.539 9.767 97 HG22 VAL 17 1HG2 VAL 17 -4.005 -5.863 9.256 98 HG23 VAL 17 2HG2 VAL 17 -2.335 -6.188 9.721 99 H LEU 18 H LEU 18 -4.465 -4.147 5.612 100 HA LEU 18 HA LEU 18 -6.433 -2.328 6.433 101 HB2 LEU 18 1HB LEU 18 -6.752 -4.843 4.802 102 HB3 LEU 18 2HB LEU 18 -7.926 -3.533 4.907 103 HG LEU 18 HG LEU 18 -5.179 -2.903 3.944 104 HD11 LEU 18 1HD1 LEU 18 -7.080 -3.686 1.852 105 HD12 LEU 18 2HD1 LEU 18 -6.438 -5.020 2.810 106 HD13 LEU 18 3HD1 LEU 18 -5.338 -3.936 1.960 107 HD21 LEU 18 3HD2 LEU 18 -7.904 -1.937 3.091 108 HD22 LEU 18 1HD2 LEU 18 -6.342 -1.241 2.660 109 HD23 LEU 18 2HD2 LEU 18 -6.910 -1.165 4.328 110 H LYS 19 H LYS 19 -8.408 -2.609 7.494 111 HA LYS 19 HA LYS 19 -8.697 -5.099 9.037 112 HB2 LYS 19 1HB LYS 19 -9.173 -2.309 10.102 113 HB3 LYS 19 2HB LYS 19 -9.383 -3.811 10.992 114 HG2 LYS 19 1HG LYS 19 -6.845 -4.138 10.335 115 HG3 LYS 19 2HG LYS 19 -6.897 -2.376 10.243 116 HD2 LYS 19 1HD LYS 19 -6.349 -2.643 12.450 117 HD3 LYS 19 2HD LYS 19 -8.110 -2.636 12.573 118 HE2 LYS 19 1HE LYS 19 -7.649 -4.501 13.804 119 HE3 LYS 19 2HE LYS 19 -7.789 -5.233 12.206 120 HZ1 LYS 19 3HZ LYS 19 -5.232 -4.398 13.464 121 HZ2 LYS 19 1HZ LYS 19 -5.410 -5.204 11.987 122 HZ3 LYS 19 2HZ LYS 19 -5.817 -5.985 13.430 123 H ASP 20 H ASP 20 -10.913 -5.396 9.912 124 HA ASP 20 HA ASP 20 -12.857 -5.571 8.074 125 HB2 ASP 20 1HB ASP 20 -14.484 -5.692 9.831 126 HB3 ASP 20 2HB ASP 20 -12.983 -6.372 10.454 127 H CYS 21 H CYS 21 -14.625 -4.357 7.345 128 HA CYS 21 HA CYS 21 -14.764 -1.538 8.059 129 HB2 CYS 21 1HB CYS 21 -13.144 -1.960 6.062 130 HB3 CYS 21 2HB CYS 21 -14.619 -2.230 5.141 131 HG CYS 21 HG CYS 21 -14.942 0.558 6.834 132 H ALA 22 H ALA 22 -16.687 -0.476 7.173 133 HA ALA 22 HA ALA 22 -18.760 -2.200 6.094 134 HB1 ALA 22 3HB ALA 22 -18.846 -1.071 8.864 135 HB2 ALA 22 1HB ALA 22 -20.334 -1.348 7.958 136 HB3 ALA 22 2HB ALA 22 -19.249 -2.695 8.307 137 H VAL 23 H VAL 23 -20.135 -1.111 4.805 138 HA VAL 23 HA VAL 23 -20.462 1.768 5.106 139 HB VAL 23 HB VAL 23 -18.482 1.221 3.525 140 HG11 VAL 23 1HG1 VAL 23 -20.182 -0.449 2.325 141 HG12 VAL 23 2HG1 VAL 23 -20.501 1.000 1.370 142 HG13 VAL 23 3HG1 VAL 23 -18.864 0.347 1.466 143 HG21 VAL 23 3HG2 VAL 23 -19.712 3.415 3.821 144 HG22 VAL 23 1HG2 VAL 23 -18.904 3.181 2.272 145 HG23 VAL 23 2HG2 VAL 23 -20.651 2.975 2.394 146 H ILE 24 H ILE 24 -22.141 2.626 3.617 147 HA ILE 24 HA ILE 24 -24.187 0.569 3.103 148 HB ILE 24 HB ILE 24 -24.583 3.505 3.694 149 HG12 ILE 24 1HG1 ILE 24 -25.361 1.138 5.399 150 HG13 ILE 24 2HG1 ILE 24 -23.839 2.000 5.603 151 HG21 ILE 24 1HG2 ILE 24 -26.469 1.294 2.975 152 HG22 ILE 24 2HG2 ILE 24 -27.008 2.659 3.952 153 HG23 ILE 24 3HG2 ILE 24 -26.373 2.933 2.330 154 HD11 ILE 24 3HD1 ILE 24 -25.913 2.596 7.060 155 HD12 ILE 24 1HD1 ILE 24 -24.857 3.868 6.447 156 HD13 ILE 24 2HD1 ILE 24 -26.390 3.531 5.643 157 H GLU 25 H GLU 25 -25.648 0.960 1.296 158 HA GLU 25 HA GLU 25 -24.318 1.413 -1.108 159 HB2 GLU 25 1HB GLU 25 -26.376 0.106 -0.963 160 HB3 GLU 25 2HB GLU 25 -27.282 1.550 -0.532 161 HG2 GLU 25 1HG GLU 25 -25.759 1.553 -3.081 162 HG3 GLU 25 2HG GLU 25 -27.251 0.618 -2.991 163 H GLY 26 H GLY 26 -24.003 3.151 -2.399 164 HA2 GLY 26 1HA GLY 26 -24.320 5.320 -3.219 165 HA3 GLY 26 2HA GLY 26 -25.432 5.634 -1.895 166 H GLN 27 H GLN 27 -23.517 4.662 0.121 167 HA GLN 27 HA GLN 27 -22.245 7.129 0.675 168 HB2 GLN 27 1HB GLN 27 -21.979 4.388 1.906 169 HB3 GLN 27 2HB GLN 27 -21.113 5.794 2.513 170 HG2 GLN 27 1HG GLN 27 -24.086 5.849 2.208 171 HG3 GLN 27 2HG GLN 27 -23.334 5.108 3.620 172 HE21 GLN 27 1HE2 GLN 27 -23.546 6.457 5.255 173 HE22 GLN 27 2HE2 GLN 27 -23.215 8.152 5.223 174 H ASP 28 H ASP 28 -19.787 6.924 1.446 175 HA ASP 28 HA ASP 28 -18.267 5.724 -0.772 176 HB2 ASP 28 1HB ASP 28 -17.545 8.352 0.523 177 HB3 ASP 28 2HB ASP 28 -16.882 7.652 -0.952 178 H PHE 29 H PHE 29 -16.212 4.938 -0.287 179 HA PHE 29 HA PHE 29 -15.207 5.127 2.425 180 HB2 PHE 29 1HB PHE 29 -15.300 2.836 2.969 181 HB3 PHE 29 2HB PHE 29 -16.893 3.196 2.313 182 HD1 PHE 29 HD2 PHE 29 -13.654 1.595 1.612 183 HD2 PHE 29 HD1 PHE 29 -17.668 2.170 0.320 184 HE1 PHE 29 HE2 PHE 29 -13.382 -0.219 -0.027 185 HE2 PHE 29 HE1 PHE 29 -17.404 0.356 -1.321 186 HZ PHE 29 HZ PHE 29 -15.258 -0.840 -1.497 187 H VAL 30 H VAL 30 -13.040 5.081 2.463 188 HA VAL 30 HA VAL 30 -11.642 4.094 0.062 189 HB VAL 30 HB VAL 30 -11.380 6.420 -0.067 190 HG11 VAL 30 1HG1 VAL 30 -12.272 6.860 2.223 191 HG12 VAL 30 2HG1 VAL 30 -10.660 6.526 2.857 192 HG13 VAL 30 3HG1 VAL 30 -10.914 7.886 1.763 193 HG21 VAL 30 3HG2 VAL 30 -9.106 6.632 -0.083 194 HG22 VAL 30 1HG2 VAL 30 -8.917 5.907 1.514 195 HG23 VAL 30 2HG2 VAL 30 -9.230 4.884 0.112 196 H LEU 31 H LEU 31 -10.623 2.277 0.597 197 HA LEU 31 HA LEU 31 -9.861 1.609 3.250 198 HB2 LEU 31 1HB LEU 31 -8.911 0.363 0.676 199 HB3 LEU 31 2HB LEU 31 -8.859 -0.361 2.282 200 HG LEU 31 HG LEU 31 -11.509 0.407 1.161 201 HD11 LEU 31 1HD1 LEU 31 -11.322 -2.166 0.357 202 HD12 LEU 31 2HD1 LEU 31 -9.692 -1.593 0.004 203 HD13 LEU 31 3HD1 LEU 31 -11.086 -0.775 -0.702 204 HD21 LEU 31 3HD2 LEU 31 -11.299 -2.177 2.386 205 HD22 LEU 31 1HD2 LEU 31 -12.222 -0.766 2.904 206 HD23 LEU 31 2HD2 LEU 31 -10.545 -0.959 3.416 207 H GLN 32 H GLN 32 -8.304 2.691 4.275 208 HA GLN 32 HA GLN 32 -5.881 3.435 2.788 209 HB2 GLN 32 1HB GLN 32 -7.003 5.302 3.871 210 HB3 GLN 32 2HB GLN 32 -6.964 4.463 5.416 211 HG2 GLN 32 1HG GLN 32 -4.517 4.556 5.397 212 HG3 GLN 32 2HG GLN 32 -4.572 5.424 3.863 213 HE21 GLN 32 1HE2 GLN 32 -3.344 7.030 5.075 214 HE22 GLN 32 2HE2 GLN 32 -4.199 8.192 6.024 215 H CYS 33 H CYS 33 -3.941 2.596 3.295 216 HA CYS 33 HA CYS 33 -3.582 1.176 5.816 217 HB2 CYS 33 1HB CYS 33 -2.646 -0.810 4.642 218 HB3 CYS 33 2HB CYS 33 -4.368 -0.585 4.359 219 HG CYS 33 HG CYS 33 -4.270 -0.362 1.787 220 H SER 34 H SER 34 -1.340 0.690 6.285 221 HA SER 34 HA SER 34 0.479 2.552 4.911 222 HB2 SER 34 1HB SER 34 0.095 3.059 7.290 223 HB3 SER 34 2HB SER 34 0.650 1.442 7.724 224 HG SER 34 HG SER 34 2.268 3.127 7.886 225 H VAL 35 H VAL 35 2.247 1.802 3.919 226 HA VAL 35 HA VAL 35 3.161 -0.926 4.508 227 HB VAL 35 HB VAL 35 1.829 -1.209 2.540 228 HG11 VAL 35 1HG1 VAL 35 1.679 1.101 1.822 229 HG12 VAL 35 2HG1 VAL 35 3.383 1.093 1.363 230 HG13 VAL 35 3HG1 VAL 35 2.228 0.088 0.487 231 HG21 VAL 35 3HG2 VAL 35 3.763 -2.534 2.413 232 HG22 VAL 35 1HG2 VAL 35 3.646 -1.759 0.833 233 HG23 VAL 35 2HG2 VAL 35 4.789 -1.152 2.031 234 H ARG 36 H ARG 36 5.306 -1.096 4.709 235 HA ARG 36 HA ARG 36 6.941 1.216 3.910 236 HB2 ARG 36 1HB ARG 36 7.517 -0.897 5.995 237 HB3 ARG 36 2HB ARG 36 8.536 0.487 5.623 238 HG2 ARG 36 1HG ARG 36 6.880 2.008 6.441 239 HG3 ARG 36 2HG ARG 36 5.712 0.700 6.639 240 HD2 ARG 36 1HD ARG 36 6.476 0.918 8.791 241 HD3 ARG 36 2HD ARG 36 7.577 -0.313 8.177 242 HE ARG 36 HE ARG 36 8.894 1.990 7.669 243 HH11 ARG 36 2HH1 ARG 36 7.398 0.679 10.526 244 HH12 ARG 36 1HH1 ARG 36 8.494 1.461 11.617 245 HH21 ARG 36 2HH2 ARG 36 10.343 3.025 9.095 246 HH22 ARG 36 1HH2 ARG 36 10.168 2.796 10.802 247 H GLY 37 H GLY 37 9.108 0.798 3.117 248 HA2 GLY 37 1HA GLY 37 10.319 -1.544 2.486 249 HA3 GLY 37 2HA GLY 37 9.115 -1.375 1.217 250 H THR 38 H THR 38 11.704 -1.487 0.480 251 HA THR 38 HA THR 38 12.055 1.005 -0.872 252 HB THR 38 HB THR 38 14.246 0.247 1.066 253 HG1 THR 38 HG1 THR 38 13.480 2.381 1.993 254 HG21 THR 38 3HG2 THR 38 15.223 1.393 -0.732 255 HG22 THR 38 1HG2 THR 38 14.945 2.647 0.475 256 HG23 THR 38 2HG2 THR 38 13.850 2.487 -0.898 257 HA PRO 39 HA PRO 39 12.712 1.720 -2.572 258 HB2 PRO 39 1HB PRO 39 11.930 1.180 -5.115 259 HB3 PRO 39 2HB PRO 39 13.594 1.599 -4.690 260 HG2 PRO 39 1HG PRO 39 12.385 -1.095 -5.181 261 HG3 PRO 39 2HG PRO 39 13.945 -0.452 -5.728 262 HD2 PRO 39 1HD PRO 39 13.719 -2.116 -3.604 263 HD3 PRO 39 2HD PRO 39 14.964 -0.854 -3.700 264 H VAL 40 H VAL 40 10.599 2.518 -2.818 265 HA VAL 40 HA VAL 40 8.533 1.358 -1.568 266 HB VAL 40 HB VAL 40 8.697 3.664 -2.826 267 HG11 VAL 40 1HG1 VAL 40 6.962 2.099 -4.731 268 HG12 VAL 40 2HG1 VAL 40 7.393 3.808 -4.828 269 HG13 VAL 40 3HG1 VAL 40 8.627 2.571 -5.069 270 HG21 VAL 40 3HG2 VAL 40 7.006 3.124 -1.177 271 HG22 VAL 40 1HG2 VAL 40 6.262 3.938 -2.554 272 HG23 VAL 40 2HG2 VAL 40 6.103 2.191 -2.371 273 HA PRO 41 HA PRO 41 7.487 -2.254 -3.919 274 HB2 PRO 41 1HB PRO 41 5.239 -2.892 -2.536 275 HB3 PRO 41 2HB PRO 41 6.867 -3.182 -1.911 276 HG2 PRO 41 1HG PRO 41 4.977 -0.939 -1.309 277 HG3 PRO 41 2HG PRO 41 6.002 -1.868 -0.198 278 HD2 PRO 41 1HD PRO 41 6.680 0.598 -1.089 279 HD3 PRO 41 2HD PRO 41 7.888 -0.649 -0.720 280 H ARG 42 H ARG 42 5.576 -3.107 -5.106 281 HA ARG 42 HA ARG 42 4.230 -0.923 -6.474 282 HB2 ARG 42 1HB ARG 42 4.704 -3.818 -7.048 283 HB3 ARG 42 2HB ARG 42 3.372 -3.000 -7.854 284 HG2 ARG 42 1HG ARG 42 5.298 -2.954 -9.276 285 HG3 ARG 42 2HG ARG 42 4.972 -1.317 -8.703 286 HD2 ARG 42 1HD ARG 42 6.714 -1.552 -7.013 287 HD3 ARG 42 2HD ARG 42 7.023 -3.203 -7.548 288 HE ARG 42 HE ARG 42 8.031 -0.823 -8.719 289 HH11 ARG 42 2HH1 ARG 42 6.888 -4.018 -9.498 290 HH12 ARG 42 1HH1 ARG 42 7.822 -4.139 -10.952 291 HH21 ARG 42 2HH2 ARG 42 9.265 -0.970 -10.632 292 HH22 ARG 42 1HH2 ARG 42 9.174 -2.405 -11.596 293 H ILE 43 H ILE 43 2.155 -0.393 -6.215 294 HA ILE 43 HA ILE 43 0.534 -2.033 -4.405 295 HB ILE 43 HB ILE 43 0.051 0.794 -5.354 296 HG12 ILE 43 1HG1 ILE 43 2.025 0.730 -3.963 297 HG13 ILE 43 2HG1 ILE 43 0.699 1.403 -3.021 298 HG21 ILE 43 1HG2 ILE 43 -1.356 -0.951 -3.349 299 HG22 ILE 43 2HG2 ILE 43 -1.540 0.802 -3.395 300 HG23 ILE 43 3HG2 ILE 43 -2.032 -0.173 -4.780 301 HD11 ILE 43 3HD1 ILE 43 2.324 -0.915 -2.515 302 HD12 ILE 43 1HD1 ILE 43 1.204 -0.068 -1.449 303 HD13 ILE 43 2HD1 ILE 43 0.611 -1.331 -2.528 304 H THR 44 H THR 44 -0.742 -3.460 -5.376 305 HA THR 44 HA THR 44 -2.318 -2.578 -7.694 306 HB THR 44 HB THR 44 -0.922 -5.252 -7.467 307 HG1 THR 44 HG1 THR 44 -0.523 -2.962 -9.100 308 HG21 THR 44 3HG2 THR 44 -3.335 -4.761 -8.679 309 HG22 THR 44 1HG2 THR 44 -2.224 -6.061 -9.108 310 HG23 THR 44 2HG2 THR 44 -2.192 -4.542 -10.004 311 H TRP 45 H TRP 45 -4.383 -2.668 -7.128 312 HA TRP 45 HA TRP 45 -5.248 -4.585 -5.099 313 HB2 TRP 45 1HB TRP 45 -6.812 -2.326 -6.364 314 HB3 TRP 45 2HB TRP 45 -7.275 -3.262 -4.945 315 HD1 TRP 45 HD1 TRP 45 -4.303 -0.969 -5.967 316 HE1 TRP 45 HE1 TRP 45 -3.633 0.413 -3.902 317 HE3 TRP 45 HE3 TRP 45 -7.597 -2.922 -2.581 318 HZ2 TRP 45 HZ2 TRP 45 -4.400 0.644 -1.195 319 HZ3 TRP 45 HZ3 TRP 45 -7.564 -2.066 -0.274 320 HH2 TRP 45 HH2 TRP 45 -5.997 -0.320 0.403 321 H LEU 46 H LEU 46 -6.883 -6.083 -5.428 322 HA LEU 46 HA LEU 46 -7.963 -6.370 -8.131 323 HB2 LEU 46 1HB LEU 46 -6.938 -8.810 -6.756 324 HB3 LEU 46 2HB LEU 46 -7.222 -8.527 -8.472 325 HG LEU 46 HG LEU 46 -5.214 -6.882 -8.259 326 HD11 LEU 46 1HD1 LEU 46 -3.591 -8.048 -6.552 327 HD12 LEU 46 2HD1 LEU 46 -5.099 -8.439 -5.725 328 HD13 LEU 46 3HD1 LEU 46 -4.677 -6.755 -6.039 329 HD21 LEU 46 3HD2 LEU 46 -4.860 -9.877 -8.178 330 HD22 LEU 46 1HD2 LEU 46 -3.670 -8.716 -8.765 331 HD23 LEU 46 2HD2 LEU 46 -5.207 -8.906 -9.610 332 H LEU 47 H LEU 47 -9.880 -7.616 -8.251 333 HA LEU 47 HA LEU 47 -11.272 -7.830 -5.674 334 HB2 LEU 47 1HB LEU 47 -12.222 -6.352 -7.433 335 HB3 LEU 47 2HB LEU 47 -12.440 -7.774 -8.452 336 HG LEU 47 HG LEU 47 -14.063 -8.681 -6.907 337 HD11 LEU 47 1HD1 LEU 47 -13.085 -7.862 -4.827 338 HD12 LEU 47 2HD1 LEU 47 -14.792 -7.435 -4.941 339 HD13 LEU 47 3HD1 LEU 47 -13.556 -6.215 -5.247 340 HD21 LEU 47 3HD2 LEU 47 -14.732 -5.782 -7.365 341 HD22 LEU 47 1HD2 LEU 47 -15.838 -7.153 -7.287 342 HD23 LEU 47 2HD2 LEU 47 -14.728 -6.992 -8.648 343 H ASN 48 H ASN 48 -10.484 -9.869 -5.072 344 HA ASN 48 HA ASN 48 -10.220 -12.154 -5.144 345 HB2 ASN 48 1HB ASN 48 -13.030 -12.357 -6.122 346 HB3 ASN 48 2HB ASN 48 -12.243 -13.191 -4.784 347 HD21 ASN 48 1HD2 ASN 48 -14.019 -10.422 -5.779 348 HD22 ASN 48 2HD2 ASN 48 -14.230 -9.723 -4.213 349 H GLY 49 H GLY 49 -9.081 -11.269 -7.398 350 HA2 GLY 49 1HA GLY 49 -8.924 -13.394 -9.090 351 HA3 GLY 49 2HA GLY 49 -10.248 -12.448 -9.752 352 H GLN 50 H GLN 50 -9.802 -10.719 -11.001 353 HA GLN 50 HA GLN 50 -6.998 -10.231 -11.618 354 HB2 GLN 50 1HB GLN 50 -8.252 -8.643 -13.354 355 HB3 GLN 50 2HB GLN 50 -8.059 -10.369 -13.631 356 HG2 GLN 50 1HG GLN 50 -10.485 -9.316 -12.241 357 HG3 GLN 50 2HG GLN 50 -10.365 -9.280 -13.999 358 HE21 GLN 50 1HE2 GLN 50 -9.699 -11.413 -14.986 359 HE22 GLN 50 2HE2 GLN 50 -10.444 -12.830 -14.339 360 HA PRO 51 HA PRO 51 -6.609 -6.357 -9.599 361 HB2 PRO 51 1HB PRO 51 -5.211 -4.886 -11.402 362 HB3 PRO 51 2HB PRO 51 -4.492 -6.213 -10.481 363 HG2 PRO 51 1HG PRO 51 -5.523 -6.198 -13.292 364 HG3 PRO 51 2HG PRO 51 -4.043 -6.933 -12.647 365 HD2 PRO 51 1HD PRO 51 -6.281 -8.370 -13.155 366 HD3 PRO 51 2HD PRO 51 -5.162 -8.779 -11.839 367 H ILE 52 H ILE 52 -7.573 -4.368 -9.383 368 HA ILE 52 HA ILE 52 -9.877 -3.839 -10.943 369 HB ILE 52 HB ILE 52 -8.490 -1.954 -9.035 370 HG12 ILE 52 1HG1 ILE 52 -10.742 -3.872 -8.421 371 HG13 ILE 52 2HG1 ILE 52 -9.051 -4.233 -8.091 372 HG21 ILE 52 1HG2 ILE 52 -11.427 -2.026 -9.568 373 HG22 ILE 52 2HG2 ILE 52 -10.423 -0.697 -8.991 374 HG23 ILE 52 3HG2 ILE 52 -10.351 -1.185 -10.684 375 HD11 ILE 52 3HD1 ILE 52 -10.763 -3.099 -6.332 376 HD12 ILE 52 1HD1 ILE 52 -9.008 -2.937 -6.270 377 HD13 ILE 52 2HD1 ILE 52 -9.985 -1.673 -7.020 378 H GLN 53 H GLN 53 -10.145 -2.660 -12.727 379 HA GLN 53 HA GLN 53 -7.846 -1.471 -13.996 380 HB2 GLN 53 1HB GLN 53 -10.711 -1.388 -14.941 381 HB3 GLN 53 2HB GLN 53 -9.258 -1.172 -15.908 382 HG2 GLN 53 1HG GLN 53 -8.657 -3.485 -15.601 383 HG3 GLN 53 2HG GLN 53 -10.025 -3.726 -14.515 384 HE21 GLN 53 1HE2 GLN 53 -9.212 -2.764 -17.817 385 HE22 GLN 53 2HE2 GLN 53 -10.628 -3.429 -18.549 386 H TYR 54 H TYR 54 -11.066 -0.256 -13.054 387 HA TYR 54 HA TYR 54 -10.169 2.483 -13.331 388 HB2 TYR 54 1HB TYR 54 -12.412 3.109 -13.061 389 HB3 TYR 54 2HB TYR 54 -12.510 1.569 -13.907 390 HD1 TYR 54 HD2 TYR 54 -12.846 -0.538 -12.423 391 HD2 TYR 54 HD1 TYR 54 -13.634 3.432 -11.110 392 HE1 TYR 54 HE2 TYR 54 -14.313 -1.420 -10.658 393 HE2 TYR 54 HE1 TYR 54 -15.103 2.560 -9.340 394 HH TYR 54 HH TYR 54 -15.120 -0.575 -8.343 395 H ALA 55 H ALA 55 -8.761 0.989 -11.377 396 HA ALA 55 HA ALA 55 -9.781 1.786 -8.783 397 HB1 ALA 55 3HB ALA 55 -7.153 0.868 -8.492 398 HB2 ALA 55 1HB ALA 55 -8.644 -0.022 -8.181 399 HB3 ALA 55 2HB ALA 55 -7.871 -0.121 -9.764 400 H ARG 56 H ARG 56 -9.684 3.951 -8.490 401 HA ARG 56 HA ARG 56 -7.431 5.510 -9.374 402 HB2 ARG 56 1HB ARG 56 -10.026 6.070 -8.020 403 HB3 ARG 56 2HB ARG 56 -8.737 7.253 -7.849 404 HG2 ARG 56 1HG ARG 56 -8.687 7.707 -10.139 405 HG3 ARG 56 2HG ARG 56 -9.570 6.232 -10.539 406 HD2 ARG 56 1HD ARG 56 -11.604 7.108 -9.798 407 HD3 ARG 56 2HD ARG 56 -10.819 8.378 -8.860 408 HE ARG 56 HE ARG 56 -10.120 8.911 -11.442 409 HH11 ARG 56 2HH1 ARG 56 -13.131 8.472 -9.751 410 HH12 ARG 56 1HH1 ARG 56 -14.020 9.537 -10.789 411 HH21 ARG 56 2HH2 ARG 56 -11.279 10.316 -12.816 412 HH22 ARG 56 1HH2 ARG 56 -12.966 10.584 -12.533 413 H SER 57 H SER 57 -6.492 3.538 -7.726 414 HA SER 57 HA SER 57 -6.264 4.291 -5.008 415 HB2 SER 57 1HB SER 57 -4.383 2.652 -4.958 416 HB3 SER 57 2HB SER 57 -5.854 1.997 -5.678 417 HG SER 57 HG SER 57 -4.014 3.207 -7.386 418 H THR 58 H THR 58 -4.594 5.298 -3.896 419 HA THR 58 HA THR 58 -2.504 6.604 -5.486 420 HB THR 58 HB THR 58 -2.865 8.696 -4.084 421 HG1 THR 58 HG1 THR 58 -4.427 7.424 -2.682 422 HG21 THR 58 3HG2 THR 58 -3.636 8.212 -6.526 423 HG22 THR 58 1HG2 THR 58 -4.251 9.636 -5.687 424 HG23 THR 58 2HG2 THR 58 -5.251 8.190 -5.819 425 H CYS 59 H CYS 59 -0.656 5.910 -4.641 426 HA CYS 59 HA CYS 59 -0.491 5.478 -1.739 427 HB2 CYS 59 1HB CYS 59 0.086 3.651 -3.509 428 HB3 CYS 59 2HB CYS 59 1.589 4.547 -3.692 429 HG CYS 59 HG CYS 59 2.584 4.066 -1.239 430 H GLU 60 H GLU 60 0.208 7.263 -0.745 431 HA GLU 60 HA GLU 60 2.564 8.629 -1.871 432 HB2 GLU 60 1HB GLU 60 1.712 10.702 -0.768 433 HB3 GLU 60 2HB GLU 60 0.692 10.116 -2.075 434 HG2 GLU 60 1HG GLU 60 -0.885 10.605 -0.507 435 HG3 GLU 60 2HG GLU 60 -0.580 8.911 -0.131 436 H ALA 61 H ALA 61 4.260 8.985 -0.540 437 HA ALA 61 HA ALA 61 5.653 8.633 1.233 438 HB1 ALA 61 3HB ALA 61 3.193 9.564 2.707 439 HB2 ALA 61 1HB ALA 61 4.809 9.455 3.406 440 HB3 ALA 61 2HB ALA 61 4.496 10.572 2.078 441 H GLY 62 H GLY 62 4.242 6.310 0.298 442 HA2 GLY 62 1HA GLY 62 4.184 4.090 0.929 443 HA3 GLY 62 2HA GLY 62 4.753 4.573 2.520 444 H VAL 63 H VAL 63 1.876 5.894 1.020 445 HA VAL 63 HA VAL 63 0.232 4.371 2.936 446 HB VAL 63 HB VAL 63 -0.121 7.269 2.156 447 HG11 VAL 63 1HG1 VAL 63 -2.201 7.215 2.961 448 HG12 VAL 63 2HG1 VAL 63 -2.084 5.457 2.860 449 HG13 VAL 63 3HG1 VAL 63 -1.713 6.281 4.375 450 HG21 VAL 63 3HG2 VAL 63 1.573 7.316 3.724 451 HG22 VAL 63 1HG2 VAL 63 0.141 7.453 4.743 452 HG23 VAL 63 2HG2 VAL 63 0.963 5.901 4.581 453 H ALA 64 H ALA 64 -0.447 2.875 1.411 454 HA ALA 64 HA ALA 64 -1.556 3.694 -1.112 455 HB1 ALA 64 3HB ALA 64 -2.359 1.126 -0.849 456 HB2 ALA 64 1HB ALA 64 -0.773 1.613 -1.447 457 HB3 ALA 64 2HB ALA 64 -0.975 1.152 0.244 458 H GLU 65 H GLU 65 -3.597 4.232 -1.547 459 HA GLU 65 HA GLU 65 -5.728 3.374 0.272 460 HB2 GLU 65 1HB GLU 65 -5.629 6.205 -0.741 461 HB3 GLU 65 2HB GLU 65 -6.627 5.536 0.543 462 HG2 GLU 65 1HG GLU 65 -4.373 5.094 1.732 463 HG3 GLU 65 2HG GLU 65 -3.737 6.280 0.593 464 H LEU 66 H LEU 66 -7.751 3.149 -0.676 465 HA LEU 66 HA LEU 66 -7.845 3.513 -3.597 466 HB2 LEU 66 1HB LEU 66 -7.574 1.156 -3.039 467 HB3 LEU 66 2HB LEU 66 -8.984 1.234 -1.984 468 HG LEU 66 HG LEU 66 -10.233 1.924 -4.169 469 HD11 LEU 66 1HD1 LEU 66 -7.683 0.719 -5.188 470 HD12 LEU 66 2HD1 LEU 66 -8.500 2.192 -5.710 471 HD13 LEU 66 3HD1 LEU 66 -9.187 0.616 -6.104 472 HD21 LEU 66 3HD2 LEU 66 -10.873 -0.049 -3.089 473 HD22 LEU 66 1HD2 LEU 66 -9.319 -0.827 -3.391 474 HD23 LEU 66 2HD2 LEU 66 -10.448 -0.565 -4.722 475 H HIS 67 H HIS 67 -9.095 5.301 -3.740 476 HA HIS 67 HA HIS 67 -11.359 5.757 -2.051 477 HB2 HIS 67 1HB HIS 67 -10.281 7.135 -4.503 478 HB3 HIS 67 2HB HIS 67 -11.797 7.629 -3.755 479 HD1 HIS 67 HD1 HIS 67 -11.657 8.809 -1.459 480 HD2 HIS 67 HD2 HIS 67 -7.966 7.814 -3.087 481 HE1 HIS 67 HE1 HIS 67 -9.960 10.066 -0.094 482 HE2 HIS 67 HE2 HIS 67 -7.741 9.515 -1.151 483 H ILE 68 H ILE 68 -13.246 4.764 -2.241 484 HA ILE 68 HA ILE 68 -14.154 3.972 -4.931 485 HB ILE 68 HB ILE 68 -14.702 2.564 -2.316 486 HG12 ILE 68 1HG1 ILE 68 -12.432 2.182 -3.177 487 HG13 ILE 68 2HG1 ILE 68 -13.410 0.722 -3.294 488 HG21 ILE 68 1HG2 ILE 68 -16.293 2.661 -4.592 489 HG22 ILE 68 2HG2 ILE 68 -15.426 1.132 -4.717 490 HG23 ILE 68 3HG2 ILE 68 -16.389 1.484 -3.283 491 HD11 ILE 68 3HD1 ILE 68 -12.139 2.303 -5.382 492 HD12 ILE 68 1HD1 ILE 68 -12.646 0.614 -5.381 493 HD13 ILE 68 2HD1 ILE 68 -13.817 1.887 -5.728 494 H GLN 69 H GLN 69 -15.442 5.720 -5.370 495 HA GLN 69 HA GLN 69 -17.374 6.650 -3.423 496 HB2 GLN 69 1HB GLN 69 -17.920 8.359 -5.027 497 HB3 GLN 69 2HB GLN 69 -16.169 8.215 -4.939 498 HG2 GLN 69 1HG GLN 69 -16.313 6.734 -6.976 499 HG3 GLN 69 2HG GLN 69 -17.998 7.234 -7.108 500 HE21 GLN 69 1HE2 GLN 69 -18.349 8.871 -8.410 501 HE22 GLN 69 2HE2 GLN 69 -17.225 10.119 -8.813 502 H ASP 70 H ASP 70 -19.652 6.712 -3.809 503 HA ASP 70 HA ASP 70 -21.650 5.731 -4.282 504 HB2 ASP 70 1HB ASP 70 -20.192 5.702 -6.875 505 HB3 ASP 70 2HB ASP 70 -21.657 4.731 -6.762 506 H ALA 71 H ALA 71 -19.979 4.147 -2.799 507 HA ALA 71 HA ALA 71 -19.298 1.638 -3.610 508 HB1 ALA 71 3HB ALA 71 -20.742 2.012 -1.010 509 HB2 ALA 71 1HB ALA 71 -19.370 0.967 -1.381 510 HB3 ALA 71 2HB ALA 71 -19.147 2.714 -1.279 511 H LEU 72 H LEU 72 -20.487 0.459 -4.996 512 HA LEU 72 HA LEU 72 -23.361 0.231 -4.668 513 HB2 LEU 72 1HB LEU 72 -21.421 -0.824 -6.708 514 HB3 LEU 72 2HB LEU 72 -23.127 -1.265 -6.703 515 HG LEU 72 HG LEU 72 -22.141 1.573 -6.936 516 HD11 LEU 72 1HD1 LEU 72 -21.739 -0.365 -8.824 517 HD12 LEU 72 2HD1 LEU 72 -21.875 1.364 -9.144 518 HD13 LEU 72 3HD1 LEU 72 -23.289 0.323 -9.311 519 HD21 LEU 72 3HD2 LEU 72 -24.533 0.905 -6.140 520 HD22 LEU 72 1HD2 LEU 72 -24.790 0.541 -7.847 521 HD23 LEU 72 2HD2 LEU 72 -24.327 2.170 -7.353 522 HA PRO 73 HA PRO 73 -23.429 -3.582 -2.494 523 HB2 PRO 73 1HB PRO 73 -25.640 -4.753 -3.547 524 HB3 PRO 73 2HB PRO 73 -25.716 -3.376 -2.441 525 HG2 PRO 73 1HG PRO 73 -25.920 -3.421 -5.428 526 HG3 PRO 73 2HG PRO 73 -26.884 -2.506 -4.254 527 HD2 PRO 73 1HD PRO 73 -24.851 -1.393 -5.654 528 HD3 PRO 73 2HD PRO 73 -25.269 -0.880 -4.006 529 H GLU 74 H GLU 74 -22.828 -3.436 -5.805 530 HA GLU 74 HA GLU 74 -22.537 -6.333 -6.098 531 HB2 GLU 74 1HB GLU 74 -22.054 -5.793 -8.484 532 HB3 GLU 74 2HB GLU 74 -23.639 -5.257 -7.943 533 HG2 GLU 74 1HG GLU 74 -22.961 -3.003 -7.858 534 HG3 GLU 74 2HG GLU 74 -21.258 -3.432 -8.008 535 H ASP 75 H ASP 75 -20.720 -3.655 -5.212 536 HA ASP 75 HA ASP 75 -18.198 -4.563 -6.294 537 HB2 ASP 75 1HB ASP 75 -19.089 -2.257 -4.611 538 HB3 ASP 75 2HB ASP 75 -17.383 -2.696 -4.618 539 H HIS 76 H HIS 76 -20.057 -5.029 -3.435 540 HA HIS 76 HA HIS 76 -18.297 -5.520 -1.433 541 HB2 HIS 76 1HB HIS 76 -20.465 -5.917 -0.776 542 HB3 HIS 76 2HB HIS 76 -20.855 -6.822 -2.236 543 HD1 HIS 76 HD1 HIS 76 -20.928 -9.293 -1.997 544 HD2 HIS 76 HD2 HIS 76 -18.795 -7.489 1.078 545 HE1 HIS 76 HE1 HIS 76 -20.365 -11.145 -0.392 546 HE2 HIS 76 HE2 HIS 76 -19.149 -10.016 1.502 547 H GLY 77 H GLY 77 -16.516 -6.697 -1.228 548 HA2 GLY 77 1HA GLY 77 -16.334 -9.411 -2.039 549 HA3 GLY 77 2HA GLY 77 -15.480 -8.380 -3.178 550 H THR 78 H THR 78 -13.451 -9.178 -2.685 551 HA THR 78 HA THR 78 -12.429 -8.393 -0.037 552 HB THR 78 HB THR 78 -11.234 -10.728 -1.480 553 HG1 THR 78 HG1 THR 78 -13.525 -10.807 0.217 554 HG21 THR 78 3HG2 THR 78 -10.882 -11.415 0.952 555 HG22 THR 78 1HG2 THR 78 -11.408 -9.786 1.372 556 HG23 THR 78 2HG2 THR 78 -9.969 -10.020 0.379 557 H TYR 79 H TYR 79 -11.234 -6.638 -0.460 558 HA TYR 79 HA TYR 79 -9.779 -6.321 -2.917 559 HB2 TYR 79 1HB TYR 79 -9.860 -4.667 -0.388 560 HB3 TYR 79 2HB TYR 79 -8.956 -4.214 -1.828 561 HD1 TYR 79 HD1 TYR 79 -10.263 -3.901 -4.002 562 HD2 TYR 79 HD2 TYR 79 -12.129 -4.121 -0.184 563 HE1 TYR 79 HE1 TYR 79 -12.269 -2.820 -4.927 564 HE2 TYR 79 HE2 TYR 79 -14.141 -3.042 -1.099 565 HH TYR 79 HH TYR 79 -14.196 -1.469 -4.062 566 H THR 80 H THR 80 -7.810 -7.049 -3.330 567 HA THR 80 HA THR 80 -6.106 -7.865 -1.076 568 HB THR 80 HB THR 80 -6.005 -8.746 -3.968 569 HG1 THR 80 HG1 THR 80 -7.266 -9.709 -1.697 570 HG21 THR 80 3HG2 THR 80 -3.858 -8.642 -2.393 571 HG22 THR 80 1HG2 THR 80 -4.129 -9.968 -3.523 572 HG23 THR 80 2HG2 THR 80 -4.531 -10.167 -1.817 573 H CYS 81 H CYS 81 -4.529 -6.501 -0.583 574 HA CYS 81 HA CYS 81 -3.455 -4.743 -2.673 575 HB2 CYS 81 1HB CYS 81 -4.387 -3.800 -0.497 576 HB3 CYS 81 2HB CYS 81 -2.981 -4.500 0.296 577 HG CYS 81 HG CYS 81 -2.563 -2.365 -2.321 578 H LEU 82 H LEU 82 -1.846 -5.809 -3.685 579 HA LEU 82 HA LEU 82 0.093 -7.328 -2.121 580 HB2 LEU 82 1HB LEU 82 -0.455 -8.557 -3.982 581 HB3 LEU 82 2HB LEU 82 -0.620 -7.131 -5.005 582 HG LEU 82 HG LEU 82 1.802 -6.930 -5.147 583 HD11 LEU 82 1HD1 LEU 82 3.313 -8.293 -4.052 584 HD12 LEU 82 2HD1 LEU 82 2.113 -9.545 -3.733 585 HD13 LEU 82 3HD1 LEU 82 2.077 -8.037 -2.820 586 HD21 LEU 82 3HD2 LEU 82 1.736 -8.298 -6.893 587 HD22 LEU 82 1HD2 LEU 82 0.225 -8.961 -6.272 588 HD23 LEU 82 2HD2 LEU 82 1.760 -9.713 -5.840 589 H ALA 83 H ALA 83 2.008 -6.542 -1.547 590 HA ALA 83 HA ALA 83 3.121 -4.273 -3.052 591 HB1 ALA 83 3HB ALA 83 3.996 -3.802 -0.501 592 HB2 ALA 83 1HB ALA 83 2.651 -2.978 -1.291 593 HB3 ALA 83 2HB ALA 83 2.344 -4.361 -0.239 594 H GLU 84 H GLU 84 4.788 -5.264 -4.049 595 HA GLU 84 HA GLU 84 6.798 -6.541 -2.326 596 HB2 GLU 84 1HB GLU 84 7.232 -8.233 -4.023 597 HB3 GLU 84 2HB GLU 84 5.553 -8.303 -3.507 598 HG2 GLU 84 1HG GLU 84 4.936 -6.991 -5.520 599 HG3 GLU 84 2HG GLU 84 6.613 -7.103 -6.053 600 H ASN 85 H ASN 85 8.964 -6.375 -3.060 601 HA ASN 85 HA ASN 85 9.435 -4.526 -5.287 602 HB2 ASN 85 1HB ASN 85 10.930 -3.157 -4.009 603 HB3 ASN 85 2HB ASN 85 9.425 -3.275 -3.101 604 HD21 ASN 85 1HD2 ASN 85 11.010 -2.529 -1.421 605 HD22 ASN 85 2HD2 ASN 85 11.816 -3.756 -0.508 606 H ALA 86 H ALA 86 12.067 -4.298 -5.342 607 HA ALA 86 HA ALA 86 12.980 -6.761 -6.319 608 HB1 ALA 86 3HB ALA 86 14.651 -5.533 -7.132 609 HB2 ALA 86 1HB ALA 86 13.861 -4.140 -6.392 610 HB3 ALA 86 2HB ALA 86 15.137 -4.993 -5.525 611 H LEU 87 H LEU 87 12.938 -5.468 -3.130 612 HA LEU 87 HA LEU 87 15.026 -7.191 -2.119 613 HB2 LEU 87 1HB LEU 87 13.234 -5.107 -1.006 614 HB3 LEU 87 2HB LEU 87 13.860 -6.318 0.111 615 HG LEU 87 HG LEU 87 15.098 -4.030 -0.256 616 HD11 LEU 87 1HD1 LEU 87 15.772 -5.981 1.169 617 HD12 LEU 87 2HD1 LEU 87 17.107 -5.036 0.511 618 HD13 LEU 87 3HD1 LEU 87 16.685 -6.587 -0.213 619 HD21 LEU 87 3HD2 LEU 87 16.731 -4.011 -1.957 620 HD22 LEU 87 1HD2 LEU 87 15.224 -4.472 -2.748 621 HD23 LEU 87 2HD2 LEU 87 16.434 -5.700 -2.371 622 H GLY 88 H GLY 88 11.699 -6.810 -0.914 623 HA2 GLY 88 1HA GLY 88 11.504 -9.758 -0.842 624 HA3 GLY 88 2HA GLY 88 10.950 -8.751 0.488 625 H GLN 89 H GLN 89 8.901 -9.865 0.179 626 HA GLN 89 HA GLN 89 7.149 -8.329 -1.508 627 HB2 GLN 89 1HB GLN 89 6.232 -10.214 -2.754 628 HB3 GLN 89 2HB GLN 89 7.946 -10.026 -3.096 629 HG2 GLN 89 1HG GLN 89 8.523 -11.918 -1.861 630 HG3 GLN 89 2HG GLN 89 6.977 -11.947 -1.016 631 HE21 GLN 89 1HE2 GLN 89 5.170 -11.770 -2.999 632 HE22 GLN 89 2HE2 GLN 89 5.287 -13.131 -4.056 633 H VAL 90 H VAL 90 5.142 -8.203 -0.660 634 HA VAL 90 HA VAL 90 4.232 -10.227 1.232 635 HB VAL 90 HB VAL 90 3.725 -8.666 2.990 636 HG11 VAL 90 1HG1 VAL 90 5.977 -8.031 3.700 637 HG12 VAL 90 2HG1 VAL 90 5.956 -9.656 3.011 638 HG13 VAL 90 3HG1 VAL 90 6.572 -8.302 2.062 639 HG21 VAL 90 3HG2 VAL 90 4.349 -6.313 2.884 640 HG22 VAL 90 1HG2 VAL 90 4.950 -6.535 1.241 641 HG23 VAL 90 2HG2 VAL 90 3.230 -6.719 1.583 642 H SER 91 H SER 91 1.984 -10.231 1.575 643 HA SER 91 HA SER 91 0.360 -8.299 0.121 644 HB2 SER 91 1HB SER 91 -0.720 -9.844 -1.288 645 HB3 SER 91 2HB SER 91 0.983 -10.288 -1.402 646 HG SER 91 HG SER 91 -1.015 -11.834 -0.710 647 H CYS 92 H CYS 92 -1.712 -8.086 0.912 648 HA CYS 92 HA CYS 92 -2.479 -9.848 3.136 649 HB2 CYS 92 1HB CYS 92 -2.341 -6.846 3.104 650 HB3 CYS 92 2HB CYS 92 -3.464 -7.681 4.172 651 HG CYS 92 HG CYS 92 -0.519 -6.854 4.907 652 H SER 93 H SER 93 -4.846 -9.414 3.765 653 HA SER 93 HA SER 93 -6.438 -8.898 1.341 654 HB2 SER 93 1HB SER 93 -7.977 -10.728 2.114 655 HB3 SER 93 2HB SER 93 -6.381 -11.290 1.619 656 HG SER 93 HG SER 93 -7.099 -10.744 4.307 657 H ALA 94 H ALA 94 -8.601 -8.169 1.703 658 HA ALA 94 HA ALA 94 -9.243 -7.281 4.416 659 HB1 ALA 94 3HB ALA 94 -8.517 -5.532 2.176 660 HB2 ALA 94 1HB ALA 94 -10.005 -5.085 3.011 661 HB3 ALA 94 2HB ALA 94 -8.495 -5.225 3.913 662 H TRP 95 H TRP 95 -11.390 -7.282 4.873 663 HA TRP 95 HA TRP 95 -13.181 -8.156 2.711 664 HB2 TRP 95 1HB TRP 95 -12.993 -9.734 4.570 665 HB3 TRP 95 2HB TRP 95 -13.456 -8.471 5.708 666 HD1 TRP 95 HD1 TRP 95 -16.021 -7.907 5.936 667 HE1 TRP 95 HE1 TRP 95 -18.157 -9.047 5.062 668 HE3 TRP 95 HE3 TRP 95 -13.914 -11.065 2.512 669 HZ2 TRP 95 HZ2 TRP 95 -18.856 -11.023 3.172 670 HZ3 TRP 95 HZ3 TRP 95 -15.386 -12.548 1.213 671 HH2 TRP 95 HH2 TRP 95 -17.805 -12.526 1.538 672 H VAL 96 H VAL 96 -14.543 -6.697 1.937 673 HA VAL 96 HA VAL 96 -15.481 -4.552 3.731 674 HB VAL 96 HB VAL 96 -14.852 -4.376 0.783 675 HG11 VAL 96 1HG1 VAL 96 -16.083 -2.296 2.589 676 HG12 VAL 96 2HG1 VAL 96 -15.588 -2.050 0.913 677 HG13 VAL 96 3HG1 VAL 96 -16.908 -3.157 1.290 678 HG21 VAL 96 3HG2 VAL 96 -13.721 -2.745 3.045 679 HG22 VAL 96 1HG2 VAL 96 -12.975 -4.237 2.472 680 HG23 VAL 96 2HG2 VAL 96 -13.139 -2.859 1.384 681 H THR 97 H THR 97 -17.612 -4.401 3.980 682 HA THR 97 HA THR 97 -19.340 -5.840 2.074 683 HB THR 97 HB THR 97 -19.901 -5.284 4.993 684 HG1 THR 97 HG1 THR 97 -19.400 -7.434 5.314 685 HG21 THR 97 3HG2 THR 97 -21.925 -5.415 3.628 686 HG22 THR 97 1HG2 THR 97 -21.785 -6.825 4.677 687 HG23 THR 97 2HG2 THR 97 -21.387 -6.957 2.964 688 H VAL 98 H VAL 98 -21.106 -4.824 1.234 689 HA VAL 98 HA VAL 98 -21.406 -1.969 1.902 690 HB VAL 98 HB VAL 98 -22.085 -3.380 -0.683 691 HG11 VAL 98 1HG1 VAL 98 -23.199 -1.567 -1.348 692 HG12 VAL 98 2HG1 VAL 98 -23.214 -1.080 0.348 693 HG13 VAL 98 3HG1 VAL 98 -21.955 -0.480 -0.732 694 HG21 VAL 98 3HG2 VAL 98 -19.782 -3.231 -0.736 695 HG22 VAL 98 1HG2 VAL 98 -20.254 -1.701 -1.476 696 HG23 VAL 98 2HG2 VAL 98 -19.750 -1.746 0.214 697 H HIS 99 H HIS 99 -23.333 -1.214 2.561 698 HA HIS 99 HA HIS 99 -25.542 -3.144 2.745 699 HB2 HIS 99 1HB HIS 99 -25.356 -0.554 4.272 700 HB3 HIS 99 2HB HIS 99 -26.321 -1.979 4.647 701 HD1 HIS 99 HD1 HIS 99 -24.573 -4.213 5.013 702 HD2 HIS 99 HD2 HIS 99 -23.245 -0.385 5.930 703 HE1 HIS 99 HE1 HIS 99 -22.643 -4.532 6.593 704 HE2 HIS 99 HE2 HIS 99 -21.910 -2.200 7.201 Start of MODEL 5 1 H1 GLY 1 H GLY 1 23.484 7.474 -15.324 2 HA2 GLY 1 1HA GLY 1 25.058 7.667 -13.640 3 HA3 GLY 1 2HA GLY 1 24.683 9.374 -13.821 4 H SER 2 H SER 2 23.681 6.433 -12.117 5 HA SER 2 HA SER 2 21.979 7.641 -10.255 6 HB2 SER 2 1HB SER 2 23.504 5.078 -10.366 7 HB3 SER 2 2HB SER 2 22.822 5.569 -8.815 8 HG SER 2 HG SER 2 21.467 5.083 -11.251 9 H SER 3 H SER 3 22.307 8.171 -8.040 10 HA SER 3 HA SER 3 24.913 9.395 -7.569 11 HB2 SER 3 1HB SER 3 23.760 10.519 -5.665 12 HB3 SER 3 2HB SER 3 22.982 10.822 -7.218 13 HG SER 3 HG SER 3 21.280 9.715 -6.598 14 H GLY 4 H GLY 4 26.104 9.080 -5.643 15 HA2 GLY 4 1HA GLY 4 25.709 6.406 -4.495 16 HA3 GLY 4 2HA GLY 4 27.209 7.322 -4.475 17 H SER 5 H SER 5 24.204 6.708 -2.885 18 HA SER 5 HA SER 5 25.067 8.442 -0.664 19 HB2 SER 5 1HB SER 5 22.233 7.877 -1.571 20 HB3 SER 5 2HB SER 5 22.669 8.785 -0.123 21 HG SER 5 HG SER 5 23.988 10.029 -1.857 22 H SER 6 H SER 6 24.594 7.703 1.454 23 HA SER 6 HA SER 6 24.815 4.859 1.735 24 HB2 SER 6 1HB SER 6 26.008 6.427 3.232 25 HB3 SER 6 2HB SER 6 24.459 6.979 3.869 26 HG SER 6 HG SER 6 24.094 4.840 4.601 27 H GLY 7 H GLY 7 23.351 3.417 2.608 28 HA2 GLY 7 1HA GLY 7 21.117 3.543 3.972 29 HA3 GLY 7 2HA GLY 7 20.558 4.295 2.485 30 H MET 8 H MET 8 21.087 1.377 4.120 31 HA MET 8 HA MET 8 21.292 -0.333 1.834 32 HB2 MET 8 1HB MET 8 21.018 -2.158 3.405 33 HB3 MET 8 2HB MET 8 22.143 -0.978 4.064 34 HG2 MET 8 1HG MET 8 20.205 -0.029 5.361 35 HG3 MET 8 2HG MET 8 19.284 -1.443 4.854 36 HE1 MET 8 3HE MET 8 19.425 -1.113 8.002 37 HE2 MET 8 1HE MET 8 18.687 -2.358 6.994 38 HE3 MET 8 2HE MET 8 19.762 -2.816 8.315 39 H GLU 9 H GLU 9 19.721 -1.356 0.708 40 HA GLU 9 HA GLU 9 17.145 -0.323 0.592 41 HB2 GLU 9 1HB GLU 9 18.337 -2.909 -0.372 42 HB3 GLU 9 2HB GLU 9 16.633 -2.550 -0.614 43 HG2 GLU 9 1HG GLU 9 17.047 -0.910 -2.140 44 HG3 GLU 9 2HG GLU 9 18.621 -0.514 -1.454 45 H VAL 10 H VAL 10 15.120 -1.751 0.830 46 HA VAL 10 HA VAL 10 15.218 -3.430 3.224 47 HB VAL 10 HB VAL 10 13.638 -0.895 2.950 48 HG11 VAL 10 1HG1 VAL 10 11.949 -2.540 3.392 49 HG12 VAL 10 2HG1 VAL 10 12.931 -3.276 4.659 50 HG13 VAL 10 3HG1 VAL 10 12.268 -1.657 4.885 51 HG21 VAL 10 3HG2 VAL 10 15.591 -2.067 4.854 52 HG22 VAL 10 1HG2 VAL 10 15.439 -0.414 4.260 53 HG23 VAL 10 2HG2 VAL 10 14.342 -1.007 5.507 54 H ALA 11 H ALA 11 13.344 -4.771 3.503 55 HA ALA 11 HA ALA 11 12.148 -5.506 0.957 56 HB1 ALA 11 3HB ALA 11 12.984 -6.928 3.228 57 HB2 ALA 11 1HB ALA 11 11.232 -7.117 3.142 58 HB3 ALA 11 2HB ALA 11 12.237 -7.570 1.765 59 HA PRO 12 HA PRO 12 8.151 -3.827 1.631 60 HB2 PRO 12 1HB PRO 12 6.533 -5.775 0.654 61 HB3 PRO 12 2HB PRO 12 7.532 -4.748 -0.381 62 HG2 PRO 12 1HG PRO 12 8.047 -7.533 0.587 63 HG3 PRO 12 2HG PRO 12 8.301 -6.845 -1.027 64 HD2 PRO 12 1HD PRO 12 10.320 -7.189 0.744 65 HD3 PRO 12 2HD PRO 12 10.296 -5.858 -0.430 66 H SER 13 H SER 13 6.986 -3.599 3.427 67 HA SER 13 HA SER 13 5.956 -5.934 4.823 68 HB2 SER 13 1HB SER 13 6.779 -4.950 7.033 69 HB3 SER 13 2HB SER 13 7.997 -5.719 6.016 70 HG SER 13 HG SER 13 8.627 -3.646 6.866 71 H PHE 14 H PHE 14 3.960 -5.582 5.568 72 HA PHE 14 HA PHE 14 2.783 -2.967 5.209 73 HB2 PHE 14 1HB PHE 14 1.685 -5.670 5.957 74 HB3 PHE 14 2HB PHE 14 0.692 -4.218 6.035 75 HD1 PHE 14 HD2 PHE 14 0.396 -2.857 3.919 76 HD2 PHE 14 HD1 PHE 14 2.012 -6.794 3.941 77 HE1 PHE 14 HE2 PHE 14 -0.108 -3.074 1.521 78 HE2 PHE 14 HE1 PHE 14 1.512 -7.017 1.543 79 HZ PHE 14 HZ PHE 14 0.450 -5.156 0.329 80 H SER 15 H SER 15 3.299 -1.532 6.755 81 HA SER 15 HA SER 15 3.853 -2.109 9.437 82 HB2 SER 15 1HB SER 15 4.400 0.025 8.162 83 HB3 SER 15 2HB SER 15 2.730 0.516 8.448 84 HG SER 15 HG SER 15 4.864 0.355 10.207 85 H SER 16 H SER 16 0.840 -1.231 7.827 86 HA SER 16 HA SER 16 -0.635 -2.195 10.157 87 HB2 SER 16 1HB SER 16 -0.306 0.423 10.077 88 HB3 SER 16 2HB SER 16 -1.601 0.335 8.883 89 HG SER 16 HG SER 16 -1.958 0.447 11.402 90 H VAL 17 H VAL 17 -1.676 -3.860 9.257 91 HA VAL 17 HA VAL 17 -2.507 -3.960 6.548 92 HB VAL 17 HB VAL 17 -3.636 -6.028 7.121 93 HG11 VAL 17 1HG1 VAL 17 -0.883 -5.456 7.802 94 HG12 VAL 17 2HG1 VAL 17 -1.514 -6.820 8.728 95 HG13 VAL 17 3HG1 VAL 17 -1.571 -6.847 6.965 96 HG21 VAL 17 3HG2 VAL 17 -3.314 -5.023 9.924 97 HG22 VAL 17 1HG2 VAL 17 -4.752 -5.658 9.123 98 HG23 VAL 17 2HG2 VAL 17 -3.452 -6.751 9.599 99 H LEU 18 H LEU 18 -4.778 -4.323 5.861 100 HA LEU 18 HA LEU 18 -6.399 -2.128 6.571 101 HB2 LEU 18 1HB LEU 18 -7.139 -4.647 5.091 102 HB3 LEU 18 2HB LEU 18 -8.095 -3.168 5.138 103 HG LEU 18 HG LEU 18 -5.305 -3.020 4.106 104 HD11 LEU 18 1HD1 LEU 18 -6.546 -5.033 3.090 105 HD12 LEU 18 2HD1 LEU 18 -5.808 -3.861 2.000 106 HD13 LEU 18 3HD1 LEU 18 -7.547 -3.822 2.290 107 HD21 LEU 18 3HD2 LEU 18 -7.770 -1.721 3.006 108 HD22 LEU 18 1HD2 LEU 18 -6.093 -1.179 2.930 109 HD23 LEU 18 2HD2 LEU 18 -6.981 -1.088 4.451 110 H LYS 19 H LYS 19 -8.736 -2.381 7.234 111 HA LYS 19 HA LYS 19 -9.093 -4.508 9.227 112 HB2 LYS 19 1HB LYS 19 -9.721 -1.590 9.709 113 HB3 LYS 19 2HB LYS 19 -9.979 -2.911 10.841 114 HG2 LYS 19 1HG LYS 19 -7.254 -2.246 9.781 115 HG3 LYS 19 2HG LYS 19 -7.935 -1.438 11.195 116 HD2 LYS 19 1HD LYS 19 -8.287 -3.700 12.210 117 HD3 LYS 19 2HD LYS 19 -7.391 -4.385 10.851 118 HE2 LYS 19 1HE LYS 19 -6.255 -2.220 12.600 119 HE3 LYS 19 2HE LYS 19 -6.092 -3.930 12.997 120 HZ1 LYS 19 3HZ LYS 19 -5.321 -3.059 10.311 121 HZ2 LYS 19 1HZ LYS 19 -4.675 -4.293 11.272 122 HZ3 LYS 19 2HZ LYS 19 -4.285 -2.679 11.593 123 H ASP 20 H ASP 20 -11.344 -4.824 9.872 124 HA ASP 20 HA ASP 20 -13.075 -4.972 7.671 125 HB2 ASP 20 1HB ASP 20 -14.078 -4.976 10.503 126 HB3 ASP 20 2HB ASP 20 -14.642 -5.923 9.129 127 H CYS 21 H CYS 21 -14.526 -3.609 6.826 128 HA CYS 21 HA CYS 21 -15.414 -1.301 8.390 129 HB2 CYS 21 1HB CYS 21 -13.829 -1.227 5.867 130 HB3 CYS 21 2HB CYS 21 -15.107 -0.035 6.067 131 HG CYS 21 HG CYS 21 -13.935 0.626 8.714 132 H ALA 22 H ALA 22 -17.430 -0.497 7.821 133 HA ALA 22 HA ALA 22 -18.894 -2.055 5.790 134 HB1 ALA 22 3HB ALA 22 -20.908 -1.473 7.372 135 HB2 ALA 22 1HB ALA 22 -19.871 -2.862 7.698 136 HB3 ALA 22 2HB ALA 22 -19.636 -1.358 8.589 137 H VAL 23 H VAL 23 -20.404 -0.968 4.535 138 HA VAL 23 HA VAL 23 -20.778 1.895 4.949 139 HB VAL 23 HB VAL 23 -18.736 1.419 3.421 140 HG11 VAL 23 1HG1 VAL 23 -19.770 -0.281 2.031 141 HG12 VAL 23 2HG1 VAL 23 -21.005 0.867 1.510 142 HG13 VAL 23 3HG1 VAL 23 -19.319 1.114 1.053 143 HG21 VAL 23 3HG2 VAL 23 -19.126 3.426 2.228 144 HG22 VAL 23 1HG2 VAL 23 -20.875 3.209 2.293 145 HG23 VAL 23 2HG2 VAL 23 -19.979 3.595 3.762 146 H ILE 24 H ILE 24 -22.462 2.799 3.564 147 HA ILE 24 HA ILE 24 -24.504 0.782 2.965 148 HB ILE 24 HB ILE 24 -24.709 3.744 3.484 149 HG12 ILE 24 1HG1 ILE 24 -26.310 2.790 5.281 150 HG13 ILE 24 2HG1 ILE 24 -25.525 1.249 4.954 151 HG21 ILE 24 1HG2 ILE 24 -26.650 1.858 2.254 152 HG22 ILE 24 2HG2 ILE 24 -27.259 3.079 3.370 153 HG23 ILE 24 3HG2 ILE 24 -26.371 3.568 1.927 154 HD11 ILE 24 3HD1 ILE 24 -24.512 2.306 6.862 155 HD12 ILE 24 1HD1 ILE 24 -23.361 2.264 5.527 156 HD13 ILE 24 2HD1 ILE 24 -24.196 3.766 5.926 157 H GLU 25 H GLU 25 -25.610 0.739 1.011 158 HA GLU 25 HA GLU 25 -24.208 1.144 -1.315 159 HB2 GLU 25 1HB GLU 25 -26.193 -0.248 -1.240 160 HB3 GLU 25 2HB GLU 25 -27.203 1.153 -0.914 161 HG2 GLU 25 1HG GLU 25 -25.567 1.168 -3.387 162 HG3 GLU 25 2HG GLU 25 -26.977 0.111 -3.329 163 H GLY 26 H GLY 26 -23.852 2.789 -2.705 164 HA2 GLY 26 1HA GLY 26 -24.278 4.860 -3.746 165 HA3 GLY 26 2HA GLY 26 -25.401 5.254 -2.453 166 H GLN 27 H GLN 27 -23.528 4.553 -0.332 167 HA GLN 27 HA GLN 27 -22.250 7.080 -0.074 168 HB2 GLN 27 1HB GLN 27 -22.162 4.552 1.563 169 HB3 GLN 27 2HB GLN 27 -21.221 5.975 1.988 170 HG2 GLN 27 1HG GLN 27 -24.218 5.807 1.779 171 HG3 GLN 27 2HG GLN 27 -23.268 5.915 3.260 172 HE21 GLN 27 1HE2 GLN 27 -25.344 7.685 2.404 173 HE22 GLN 27 2HE2 GLN 27 -24.638 9.251 2.226 174 H ASP 28 H ASP 28 -19.877 7.181 0.621 175 HA ASP 28 HA ASP 28 -18.286 5.624 -1.308 176 HB2 ASP 28 1HB ASP 28 -16.937 7.470 -1.698 177 HB3 ASP 28 2HB ASP 28 -18.510 8.225 -1.462 178 H PHE 29 H PHE 29 -16.095 5.079 -0.686 179 HA PHE 29 HA PHE 29 -15.292 5.286 2.059 180 HB2 PHE 29 1HB PHE 29 -15.483 3.050 2.741 181 HB3 PHE 29 2HB PHE 29 -17.018 3.374 1.943 182 HD1 PHE 29 HD2 PHE 29 -13.749 1.716 1.593 183 HD2 PHE 29 HD1 PHE 29 -17.655 2.213 -0.023 184 HE1 PHE 29 HE2 PHE 29 -13.375 -0.207 0.105 185 HE2 PHE 29 HE1 PHE 29 -17.287 0.291 -1.513 186 HZ PHE 29 HZ PHE 29 -15.144 -0.922 -1.452 187 H VAL 30 H VAL 30 -13.131 5.213 2.200 188 HA VAL 30 HA VAL 30 -11.641 4.049 -0.063 189 HB VAL 30 HB VAL 30 -11.495 6.464 -0.196 190 HG11 VAL 30 1HG1 VAL 30 -9.982 6.904 2.251 191 HG12 VAL 30 2HG1 VAL 30 -11.316 7.831 1.561 192 HG13 VAL 30 3HG1 VAL 30 -11.648 6.411 2.553 193 HG21 VAL 30 3HG2 VAL 30 -8.852 6.430 0.643 194 HG22 VAL 30 1HG2 VAL 30 -9.212 4.744 0.271 195 HG23 VAL 30 2HG2 VAL 30 -9.454 5.989 -0.955 196 H LEU 31 H LEU 31 -10.643 2.276 0.628 197 HA LEU 31 HA LEU 31 -10.028 1.774 3.358 198 HB2 LEU 31 1HB LEU 31 -8.874 0.334 0.984 199 HB3 LEU 31 2HB LEU 31 -9.103 -0.283 2.619 200 HG LEU 31 HG LEU 31 -11.506 0.530 1.058 201 HD11 LEU 31 1HD1 LEU 31 -11.029 -0.853 -0.618 202 HD12 LEU 31 2HD1 LEU 31 -11.225 -2.169 0.539 203 HD13 LEU 31 3HD1 LEU 31 -9.621 -1.508 0.219 204 HD21 LEU 31 3HD2 LEU 31 -11.269 -1.944 2.682 205 HD22 LEU 31 1HD2 LEU 31 -12.624 -0.829 2.503 206 HD23 LEU 31 2HD2 LEU 31 -11.256 -0.395 3.528 207 H GLN 32 H GLN 32 -8.430 2.683 4.455 208 HA GLN 32 HA GLN 32 -5.984 3.458 3.018 209 HB2 GLN 32 1HB GLN 32 -7.167 5.306 4.120 210 HB3 GLN 32 2HB GLN 32 -7.062 4.461 5.658 211 HG2 GLN 32 1HG GLN 32 -4.487 4.511 5.134 212 HG3 GLN 32 2HG GLN 32 -4.952 5.879 4.123 213 HE21 GLN 32 1HE2 GLN 32 -3.884 7.371 5.389 214 HE22 GLN 32 2HE2 GLN 32 -4.437 7.828 6.960 215 H CYS 33 H CYS 33 -4.042 2.648 3.595 216 HA CYS 33 HA CYS 33 -3.815 1.107 6.071 217 HB2 CYS 33 1HB CYS 33 -2.899 -0.825 4.985 218 HB3 CYS 33 2HB CYS 33 -4.433 -0.455 4.205 219 HG CYS 33 HG CYS 33 -3.049 0.951 2.073 220 H SER 34 H SER 34 -1.374 0.200 6.071 221 HA SER 34 HA SER 34 0.390 2.391 5.211 222 HB2 SER 34 1HB SER 34 -0.251 2.516 7.674 223 HB3 SER 34 2HB SER 34 0.660 1.022 7.890 224 HG SER 34 HG SER 34 1.589 3.577 7.149 225 H VAL 35 H VAL 35 2.100 1.705 4.111 226 HA VAL 35 HA VAL 35 3.218 -0.942 4.666 227 HB VAL 35 HB VAL 35 1.723 -1.369 2.822 228 HG11 VAL 35 1HG1 VAL 35 1.230 0.575 1.729 229 HG12 VAL 35 2HG1 VAL 35 2.902 1.140 1.748 230 HG13 VAL 35 3HG1 VAL 35 2.404 -0.106 0.603 231 HG21 VAL 35 3HG2 VAL 35 3.572 -2.704 2.530 232 HG22 VAL 35 1HG2 VAL 35 3.547 -1.831 0.998 233 HG23 VAL 35 2HG2 VAL 35 4.655 -1.335 2.277 234 H ARG 36 H ARG 36 5.399 -1.055 4.466 235 HA ARG 36 HA ARG 36 6.771 1.345 3.444 236 HB2 ARG 36 1HB ARG 36 7.540 -0.441 5.757 237 HB3 ARG 36 2HB ARG 36 8.569 0.823 5.098 238 HG2 ARG 36 1HG ARG 36 5.937 1.135 6.511 239 HG3 ARG 36 2HG ARG 36 7.524 1.713 7.021 240 HD2 ARG 36 1HD ARG 36 7.404 2.993 4.714 241 HD3 ARG 36 2HD ARG 36 5.670 2.798 4.962 242 HE ARG 36 HE ARG 36 6.797 3.800 7.319 243 HH11 ARG 36 2HH1 ARG 36 6.194 4.784 4.035 244 HH12 ARG 36 1HH1 ARG 36 6.056 6.466 4.425 245 HH21 ARG 36 2HH2 ARG 36 6.618 6.012 7.847 246 HH22 ARG 36 1HH2 ARG 36 6.298 7.164 6.594 247 H GLY 37 H GLY 37 9.265 0.696 3.168 248 HA2 GLY 37 1HA GLY 37 10.485 -1.488 2.526 249 HA3 GLY 37 2HA GLY 37 9.217 -1.589 1.313 250 H THR 38 H THR 38 12.184 -1.304 1.105 251 HA THR 38 HA THR 38 12.163 0.994 -0.726 252 HB THR 38 HB THR 38 14.274 0.370 1.336 253 HG1 THR 38 HG1 THR 38 13.904 2.672 1.734 254 HG21 THR 38 3HG2 THR 38 15.185 2.575 -0.001 255 HG22 THR 38 1HG2 THR 38 14.555 1.585 -1.317 256 HG23 THR 38 2HG2 THR 38 15.784 0.933 -0.232 257 HA PRO 39 HA PRO 39 12.829 1.716 -2.457 258 HB2 PRO 39 1HB PRO 39 11.927 1.186 -4.962 259 HB3 PRO 39 2HB PRO 39 13.620 1.550 -4.608 260 HG2 PRO 39 1HG PRO 39 12.302 -1.104 -5.028 261 HG3 PRO 39 2HG PRO 39 13.859 -0.519 -5.642 262 HD2 PRO 39 1HD PRO 39 13.663 -2.160 -3.497 263 HD3 PRO 39 2HD PRO 39 14.945 -0.942 -3.654 264 H VAL 40 H VAL 40 10.627 2.409 -3.465 265 HA VAL 40 HA VAL 40 8.570 1.417 -1.845 266 HB VAL 40 HB VAL 40 8.360 3.016 -4.400 267 HG11 VAL 40 1HG1 VAL 40 6.225 2.092 -4.045 268 HG12 VAL 40 2HG1 VAL 40 6.325 2.324 -2.299 269 HG13 VAL 40 3HG1 VAL 40 6.148 3.717 -3.366 270 HG21 VAL 40 3HG2 VAL 40 9.230 4.662 -3.179 271 HG22 VAL 40 1HG2 VAL 40 7.774 4.606 -2.185 272 HG23 VAL 40 2HG2 VAL 40 9.197 3.675 -1.718 273 HA PRO 41 HA PRO 41 7.525 -2.270 -4.103 274 HB2 PRO 41 1HB PRO 41 5.372 -2.936 -2.589 275 HB3 PRO 41 2HB PRO 41 7.038 -3.193 -2.056 276 HG2 PRO 41 1HG PRO 41 5.146 -0.979 -1.361 277 HG3 PRO 41 2HG PRO 41 6.249 -1.880 -0.305 278 HD2 PRO 41 1HD PRO 41 6.830 0.590 -1.250 279 HD3 PRO 41 2HD PRO 41 8.079 -0.633 -0.943 280 H ARG 42 H ARG 42 5.780 -3.060 -5.402 281 HA ARG 42 HA ARG 42 4.263 -0.947 -6.633 282 HB2 ARG 42 1HB ARG 42 4.685 -3.861 -7.186 283 HB3 ARG 42 2HB ARG 42 3.365 -3.009 -7.975 284 HG2 ARG 42 1HG ARG 42 5.251 -3.019 -9.439 285 HG3 ARG 42 2HG ARG 42 5.013 -1.374 -8.848 286 HD2 ARG 42 1HD ARG 42 7.338 -1.780 -8.737 287 HD3 ARG 42 2HD ARG 42 6.742 -1.893 -7.082 288 HE ARG 42 HE ARG 42 7.453 -4.055 -7.048 289 HH11 ARG 42 2HH1 ARG 42 7.003 -3.096 -10.364 290 HH12 ARG 42 1HH1 ARG 42 7.611 -4.583 -11.013 291 HH21 ARG 42 2HH2 ARG 42 8.255 -6.017 -7.890 292 HH22 ARG 42 1HH2 ARG 42 8.322 -6.244 -9.605 293 H ILE 43 H ILE 43 2.251 -0.366 -6.162 294 HA ILE 43 HA ILE 43 0.709 -2.009 -4.300 295 HB ILE 43 HB ILE 43 0.082 0.775 -5.283 296 HG12 ILE 43 1HG1 ILE 43 2.189 0.894 -4.146 297 HG13 ILE 43 2HG1 ILE 43 0.959 1.475 -3.029 298 HG21 ILE 43 1HG2 ILE 43 -0.869 -0.160 -2.664 299 HG22 ILE 43 2HG2 ILE 43 -1.697 0.779 -3.905 300 HG23 ILE 43 3HG2 ILE 43 -1.579 -0.973 -4.058 301 HD11 ILE 43 3HD1 ILE 43 2.632 -0.958 -2.918 302 HD12 ILE 43 1HD1 ILE 43 2.109 0.124 -1.628 303 HD13 ILE 43 2HD1 ILE 43 0.990 -1.070 -2.286 304 H THR 44 H THR 44 -0.536 -3.496 -5.233 305 HA THR 44 HA THR 44 -2.209 -2.668 -7.511 306 HB THR 44 HB THR 44 -0.903 -5.373 -7.152 307 HG1 THR 44 HG1 THR 44 -0.096 -4.560 -9.361 308 HG21 THR 44 3HG2 THR 44 -2.865 -4.335 -9.190 309 HG22 THR 44 1HG2 THR 44 -3.037 -5.737 -8.135 310 HG23 THR 44 2HG2 THR 44 -1.869 -5.766 -9.456 311 H TRP 45 H TRP 45 -4.266 -2.669 -6.913 312 HA TRP 45 HA TRP 45 -5.145 -4.339 -4.696 313 HB2 TRP 45 1HB TRP 45 -6.602 -2.207 -6.273 314 HB3 TRP 45 2HB TRP 45 -7.254 -3.051 -4.871 315 HD1 TRP 45 HD1 TRP 45 -4.436 -0.576 -5.787 316 HE1 TRP 45 HE1 TRP 45 -3.851 0.786 -3.682 317 HE3 TRP 45 HE3 TRP 45 -7.403 -2.999 -2.401 318 HZ2 TRP 45 HZ2 TRP 45 -4.554 0.827 -0.949 319 HZ3 TRP 45 HZ3 TRP 45 -7.388 -2.236 -0.062 320 HH2 TRP 45 HH2 TRP 45 -5.992 -0.363 0.648 321 H LEU 46 H LEU 46 -6.393 -6.105 -4.880 322 HA LEU 46 HA LEU 46 -7.494 -6.744 -7.537 323 HB2 LEU 46 1HB LEU 46 -6.428 -8.768 -5.584 324 HB3 LEU 46 2HB LEU 46 -6.927 -9.039 -7.252 325 HG LEU 46 HG LEU 46 -4.612 -7.242 -6.631 326 HD11 LEU 46 1HD1 LEU 46 -4.689 -9.889 -5.811 327 HD12 LEU 46 2HD1 LEU 46 -3.250 -8.900 -6.052 328 HD13 LEU 46 3HD1 LEU 46 -3.838 -9.933 -7.355 329 HD21 LEU 46 3HD2 LEU 46 -5.046 -7.051 -8.863 330 HD22 LEU 46 1HD2 LEU 46 -5.723 -8.675 -8.986 331 HD23 LEU 46 2HD2 LEU 46 -3.975 -8.452 -8.894 332 H LEU 47 H LEU 47 -9.625 -6.945 -7.523 333 HA LEU 47 HA LEU 47 -10.983 -7.472 -4.977 334 HB2 LEU 47 1HB LEU 47 -11.592 -5.428 -6.206 335 HB3 LEU 47 2HB LEU 47 -12.094 -6.418 -7.575 336 HG LEU 47 HG LEU 47 -13.676 -7.485 -5.718 337 HD11 LEU 47 1HD1 LEU 47 -12.562 -5.226 -4.400 338 HD12 LEU 47 2HD1 LEU 47 -13.778 -6.360 -3.813 339 HD13 LEU 47 3HD1 LEU 47 -14.273 -4.915 -4.694 340 HD21 LEU 47 3HD2 LEU 47 -14.615 -4.866 -6.737 341 HD22 LEU 47 1HD2 LEU 47 -15.374 -6.456 -6.819 342 HD23 LEU 47 2HD2 LEU 47 -14.063 -6.047 -7.926 343 H ASN 48 H ASN 48 -11.968 -9.350 -4.615 344 HA ASN 48 HA ASN 48 -12.656 -11.502 -4.913 345 HB2 ASN 48 1HB ASN 48 -13.863 -10.029 -7.229 346 HB3 ASN 48 2HB ASN 48 -14.071 -11.774 -7.103 347 HD21 ASN 48 1HD2 ASN 48 -15.609 -9.036 -6.557 348 HD22 ASN 48 2HD2 ASN 48 -16.551 -9.451 -5.170 349 H GLY 49 H GLY 49 -10.002 -10.764 -5.946 350 HA2 GLY 49 1HA GLY 49 -8.302 -12.045 -6.871 351 HA3 GLY 49 2HA GLY 49 -9.512 -13.191 -7.430 352 H GLN 50 H GLN 50 -9.481 -9.733 -8.109 353 HA GLN 50 HA GLN 50 -8.566 -10.218 -10.833 354 HB2 GLN 50 1HB GLN 50 -11.245 -8.975 -10.192 355 HB3 GLN 50 2HB GLN 50 -10.504 -8.998 -11.787 356 HG2 GLN 50 1HG GLN 50 -10.479 -11.532 -11.559 357 HG3 GLN 50 2HG GLN 50 -11.567 -11.301 -10.191 358 HE21 GLN 50 1HE2 GLN 50 -12.677 -12.758 -11.959 359 HE22 GLN 50 2HE2 GLN 50 -13.776 -11.905 -12.983 360 HA PRO 51 HA PRO 51 -6.562 -6.364 -10.075 361 HB2 PRO 51 1HB PRO 51 -5.856 -5.784 -12.631 362 HB3 PRO 51 2HB PRO 51 -5.043 -7.022 -11.668 363 HG2 PRO 51 1HG PRO 51 -7.168 -7.337 -13.752 364 HG3 PRO 51 2HG PRO 51 -5.700 -8.299 -13.497 365 HD2 PRO 51 1HD PRO 51 -8.142 -9.119 -12.665 366 HD3 PRO 51 2HD PRO 51 -6.650 -9.527 -11.794 367 H ILE 52 H ILE 52 -7.420 -4.418 -9.739 368 HA ILE 52 HA ILE 52 -9.805 -3.608 -11.161 369 HB ILE 52 HB ILE 52 -8.300 -2.023 -9.084 370 HG12 ILE 52 1HG1 ILE 52 -10.624 -3.872 -8.554 371 HG13 ILE 52 2HG1 ILE 52 -8.951 -4.388 -8.377 372 HG21 ILE 52 1HG2 ILE 52 -9.887 -0.675 -10.222 373 HG22 ILE 52 2HG2 ILE 52 -11.116 -1.937 -10.140 374 HG23 ILE 52 3HG2 ILE 52 -10.606 -1.105 -8.671 375 HD11 ILE 52 3HD1 ILE 52 -8.584 -2.709 -6.678 376 HD12 ILE 52 1HD1 ILE 52 -10.227 -2.103 -6.893 377 HD13 ILE 52 2HD1 ILE 52 -9.961 -3.724 -6.250 378 H GLN 53 H GLN 53 -9.871 -2.302 -12.864 379 HA GLN 53 HA GLN 53 -7.410 -1.037 -13.771 380 HB2 GLN 53 1HB GLN 53 -8.602 -2.284 -15.441 381 HB3 GLN 53 2HB GLN 53 -10.100 -1.436 -15.081 382 HG2 GLN 53 1HG GLN 53 -9.221 -0.576 -17.119 383 HG3 GLN 53 2HG GLN 53 -9.042 0.661 -15.875 384 HE21 GLN 53 1HE2 GLN 53 -7.400 1.695 -16.998 385 HE22 GLN 53 2HE2 GLN 53 -5.807 1.038 -17.116 386 H TYR 54 H TYR 54 -10.685 -0.169 -12.788 387 HA TYR 54 HA TYR 54 -10.206 2.653 -13.218 388 HB2 TYR 54 1HB TYR 54 -12.518 2.781 -12.035 389 HB3 TYR 54 2HB TYR 54 -12.427 2.103 -13.657 390 HD1 TYR 54 HD1 TYR 54 -12.407 1.080 -10.071 391 HD2 TYR 54 HD2 TYR 54 -13.352 0.014 -14.080 392 HE1 TYR 54 HE1 TYR 54 -13.484 -0.979 -9.263 393 HE2 TYR 54 HE2 TYR 54 -14.432 -2.047 -13.283 394 HH TYR 54 HH TYR 54 -15.579 -2.676 -10.782 395 H ALA 55 H ALA 55 -8.767 0.882 -11.151 396 HA ALA 55 HA ALA 55 -9.498 1.907 -8.594 397 HB1 ALA 55 3HB ALA 55 -7.588 0.030 -9.652 398 HB2 ALA 55 1HB ALA 55 -6.839 1.075 -8.444 399 HB3 ALA 55 2HB ALA 55 -8.277 0.139 -8.032 400 H ARG 56 H ARG 56 -9.463 4.096 -8.438 401 HA ARG 56 HA ARG 56 -7.308 5.666 -9.520 402 HB2 ARG 56 1HB ARG 56 -9.565 6.461 -7.671 403 HB3 ARG 56 2HB ARG 56 -8.479 7.571 -8.496 404 HG2 ARG 56 1HG ARG 56 -9.996 5.632 -10.151 405 HG3 ARG 56 2HG ARG 56 -10.875 6.987 -9.440 406 HD2 ARG 56 1HD ARG 56 -9.195 8.524 -10.435 407 HD3 ARG 56 2HD ARG 56 -8.458 7.137 -11.236 408 HE ARG 56 HE ARG 56 -10.795 8.536 -12.057 409 HH11 ARG 56 2HH1 ARG 56 -9.322 5.383 -11.977 410 HH12 ARG 56 1HH1 ARG 56 -10.184 4.802 -13.364 411 HH21 ARG 56 2HH2 ARG 56 -11.935 7.783 -13.883 412 HH22 ARG 56 1HH2 ARG 56 -11.669 6.169 -14.447 413 H SER 57 H SER 57 -7.203 3.627 -7.100 414 HA SER 57 HA SER 57 -6.544 4.645 -4.728 415 HB2 SER 57 1HB SER 57 -4.756 2.942 -4.521 416 HB3 SER 57 2HB SER 57 -6.218 2.283 -5.254 417 HG SER 57 HG SER 57 -3.899 3.150 -6.646 418 H THR 58 H THR 58 -4.891 5.748 -3.724 419 HA THR 58 HA THR 58 -2.679 6.743 -5.356 420 HB THR 58 HB THR 58 -3.032 9.060 -4.455 421 HG1 THR 58 HG1 THR 58 -5.310 7.783 -3.439 422 HG21 THR 58 3HG2 THR 58 -4.146 9.634 -6.333 423 HG22 THR 58 1HG2 THR 58 -5.495 8.554 -5.986 424 HG23 THR 58 2HG2 THR 58 -4.018 7.916 -6.709 425 H CYS 59 H CYS 59 -0.879 6.331 -4.270 426 HA CYS 59 HA CYS 59 -0.968 6.045 -1.369 427 HB2 CYS 59 1HB CYS 59 1.232 5.029 -1.578 428 HB3 CYS 59 2HB CYS 59 0.122 4.288 -2.725 429 HG CYS 59 HG CYS 59 2.323 4.391 -4.227 430 H GLU 60 H GLU 60 0.045 7.368 0.049 431 HA GLU 60 HA GLU 60 1.612 9.603 -1.057 432 HB2 GLU 60 1HB GLU 60 -0.734 9.640 0.767 433 HB3 GLU 60 2HB GLU 60 0.565 10.773 1.113 434 HG2 GLU 60 1HG GLU 60 0.352 11.787 -1.035 435 HG3 GLU 60 2HG GLU 60 -0.779 10.544 -1.566 436 H ALA 61 H ALA 61 3.606 8.827 -0.512 437 HA ALA 61 HA ALA 61 5.436 8.527 0.815 438 HB1 ALA 61 3HB ALA 61 5.559 9.644 2.795 439 HB2 ALA 61 1HB ALA 61 4.112 10.406 2.133 440 HB3 ALA 61 2HB ALA 61 3.963 9.113 3.324 441 H GLY 62 H GLY 62 3.478 6.404 0.274 442 HA2 GLY 62 1HA GLY 62 3.943 4.102 0.816 443 HA3 GLY 62 2HA GLY 62 4.270 4.604 2.468 444 H VAL 63 H VAL 63 1.904 6.341 2.572 445 HA VAL 63 HA VAL 63 0.047 4.427 3.543 446 HB VAL 63 HB VAL 63 -0.339 7.375 3.002 447 HG11 VAL 63 1HG1 VAL 63 -2.483 7.076 3.492 448 HG12 VAL 63 2HG1 VAL 63 -2.217 5.346 3.716 449 HG13 VAL 63 3HG1 VAL 63 -2.017 6.453 5.074 450 HG21 VAL 63 3HG2 VAL 63 1.428 6.986 4.604 451 HG22 VAL 63 1HG2 VAL 63 0.001 7.598 5.440 452 HG23 VAL 63 2HG2 VAL 63 0.401 5.882 5.517 453 H ALA 64 H ALA 64 -0.507 3.057 1.838 454 HA ALA 64 HA ALA 64 -1.528 4.015 -0.646 455 HB1 ALA 64 3HB ALA 64 -2.307 1.586 -0.858 456 HB2 ALA 64 1HB ALA 64 -0.573 1.885 -0.738 457 HB3 ALA 64 2HB ALA 64 -1.470 1.321 0.672 458 H GLU 65 H GLU 65 -3.622 4.202 -1.360 459 HA GLU 65 HA GLU 65 -5.816 3.551 0.437 460 HB2 GLU 65 1HB GLU 65 -5.424 6.359 -0.612 461 HB3 GLU 65 2HB GLU 65 -6.778 5.789 0.354 462 HG2 GLU 65 1HG GLU 65 -4.942 5.169 2.083 463 HG3 GLU 65 2HG GLU 65 -3.959 6.315 1.173 464 H LEU 66 H LEU 66 -7.798 3.308 -0.598 465 HA LEU 66 HA LEU 66 -7.757 3.574 -3.530 466 HB2 LEU 66 1HB LEU 66 -7.487 1.244 -2.973 467 HB3 LEU 66 2HB LEU 66 -8.870 1.309 -1.883 468 HG LEU 66 HG LEU 66 -10.202 1.925 -4.030 469 HD11 LEU 66 1HD1 LEU 66 -9.196 0.698 -6.009 470 HD12 LEU 66 2HD1 LEU 66 -7.663 0.764 -5.140 471 HD13 LEU 66 3HD1 LEU 66 -8.482 2.257 -5.599 472 HD21 LEU 66 3HD2 LEU 66 -9.277 -0.901 -4.056 473 HD22 LEU 66 1HD2 LEU 66 -10.912 -0.244 -4.124 474 HD23 LEU 66 2HD2 LEU 66 -10.040 -0.282 -2.591 475 H HIS 67 H HIS 67 -9.024 5.338 -3.776 476 HA HIS 67 HA HIS 67 -11.396 5.757 -2.207 477 HB2 HIS 67 1HB HIS 67 -10.395 7.200 -4.672 478 HB3 HIS 67 2HB HIS 67 -11.721 7.737 -3.644 479 HD1 HIS 67 HD1 HIS 67 -11.049 9.447 -2.004 480 HD2 HIS 67 HD2 HIS 67 -7.887 6.938 -2.986 481 HE1 HIS 67 HE1 HIS 67 -9.071 10.325 -0.723 482 HE2 HIS 67 HE2 HIS 67 -7.150 8.842 -1.399 483 H ILE 68 H ILE 68 -13.285 4.819 -2.566 484 HA ILE 68 HA ILE 68 -13.992 4.085 -5.332 485 HB ILE 68 HB ILE 68 -14.686 2.536 -2.833 486 HG12 ILE 68 1HG1 ILE 68 -12.331 2.279 -3.499 487 HG13 ILE 68 2HG1 ILE 68 -13.235 0.790 -3.755 488 HG21 ILE 68 1HG2 ILE 68 -16.494 2.221 -4.261 489 HG22 ILE 68 2HG2 ILE 68 -15.483 2.249 -5.705 490 HG23 ILE 68 3HG2 ILE 68 -15.446 0.852 -4.630 491 HD11 ILE 68 3HD1 ILE 68 -11.909 1.001 -5.651 492 HD12 ILE 68 1HD1 ILE 68 -13.491 1.583 -6.169 493 HD13 ILE 68 2HD1 ILE 68 -12.209 2.733 -5.785 494 H GLN 69 H GLN 69 -15.330 5.774 -5.790 495 HA GLN 69 HA GLN 69 -17.330 6.662 -3.912 496 HB2 GLN 69 1HB GLN 69 -17.925 8.295 -5.574 497 HB3 GLN 69 2HB GLN 69 -16.171 8.208 -5.487 498 HG2 GLN 69 1HG GLN 69 -15.969 7.309 -7.566 499 HG3 GLN 69 2HG GLN 69 -17.540 6.514 -7.497 500 HE21 GLN 69 1HE2 GLN 69 -15.929 9.606 -7.918 501 HE22 GLN 69 2HE2 GLN 69 -17.202 10.359 -8.810 502 H ASP 70 H ASP 70 -19.596 6.582 -4.250 503 HA ASP 70 HA ASP 70 -21.563 5.540 -4.720 504 HB2 ASP 70 1HB ASP 70 -20.680 6.280 -7.086 505 HB3 ASP 70 2HB ASP 70 -20.479 4.547 -7.327 506 H ALA 71 H ALA 71 -19.973 4.089 -3.102 507 HA ALA 71 HA ALA 71 -19.159 1.563 -3.791 508 HB1 ALA 71 3HB ALA 71 -20.636 2.137 -1.235 509 HB2 ALA 71 1HB ALA 71 -19.349 0.963 -1.514 510 HB3 ALA 71 2HB ALA 71 -18.988 2.690 -1.536 511 H LEU 72 H LEU 72 -20.301 0.299 -5.148 512 HA LEU 72 HA LEU 72 -23.165 0.023 -4.907 513 HB2 LEU 72 1HB LEU 72 -21.073 -1.017 -6.764 514 HB3 LEU 72 2HB LEU 72 -22.653 -1.795 -6.718 515 HG LEU 72 HG LEU 72 -22.342 1.155 -7.210 516 HD11 LEU 72 1HD1 LEU 72 -21.188 -0.638 -8.852 517 HD12 LEU 72 2HD1 LEU 72 -21.904 0.877 -9.401 518 HD13 LEU 72 3HD1 LEU 72 -22.826 -0.622 -9.508 519 HD21 LEU 72 3HD2 LEU 72 -24.556 0.413 -6.570 520 HD22 LEU 72 1HD2 LEU 72 -24.522 -0.841 -7.810 521 HD23 LEU 72 2HD2 LEU 72 -24.542 0.859 -8.277 522 HA PRO 73 HA PRO 73 -23.330 -3.547 -2.359 523 HB2 PRO 73 1HB PRO 73 -25.472 -4.847 -3.404 524 HB3 PRO 73 2HB PRO 73 -25.618 -3.364 -2.452 525 HG2 PRO 73 1HG PRO 73 -25.656 -3.719 -5.425 526 HG3 PRO 73 2HG PRO 73 -26.689 -2.699 -4.406 527 HD2 PRO 73 1HD PRO 73 -24.589 -1.712 -5.800 528 HD3 PRO 73 2HD PRO 73 -25.101 -1.038 -4.240 529 H GLU 74 H GLU 74 -23.024 -3.899 -5.801 530 HA GLU 74 HA GLU 74 -22.395 -6.739 -5.593 531 HB2 GLU 74 1HB GLU 74 -22.237 -6.659 -8.054 532 HB3 GLU 74 2HB GLU 74 -23.782 -6.062 -7.466 533 HG2 GLU 74 1HG GLU 74 -23.277 -3.860 -7.991 534 HG3 GLU 74 2HG GLU 74 -21.544 -4.172 -8.059 535 H ASP 75 H ASP 75 -20.822 -3.705 -5.670 536 HA ASP 75 HA ASP 75 -18.355 -4.468 -6.824 537 HB2 ASP 75 1HB ASP 75 -18.731 -2.152 -6.711 538 HB3 ASP 75 2HB ASP 75 -19.200 -2.219 -5.015 539 H HIS 76 H HIS 76 -19.572 -4.490 -3.511 540 HA HIS 76 HA HIS 76 -17.396 -4.912 -1.980 541 HB2 HIS 76 1HB HIS 76 -18.778 -5.869 -0.409 542 HB3 HIS 76 2HB HIS 76 -19.980 -5.135 -1.466 543 HD1 HIS 76 HD1 HIS 76 -20.045 -7.276 -3.691 544 HD2 HIS 76 HD2 HIS 76 -20.107 -8.115 0.378 545 HE1 HIS 76 HE1 HIS 76 -21.096 -9.552 -3.490 546 HE2 HIS 76 HE2 HIS 76 -21.200 -10.001 -1.014 547 H GLY 77 H GLY 77 -16.071 -6.638 -1.362 548 HA2 GLY 77 1HA GLY 77 -16.257 -9.265 -2.328 549 HA3 GLY 77 2HA GLY 77 -15.235 -8.352 -3.427 550 H THR 78 H THR 78 -13.196 -8.900 -3.037 551 HA THR 78 HA THR 78 -12.234 -8.745 -0.263 552 HB THR 78 HB THR 78 -11.633 -10.942 -2.244 553 HG1 THR 78 HG1 THR 78 -13.008 -10.722 0.186 554 HG21 THR 78 3HG2 THR 78 -10.164 -11.753 -0.258 555 HG22 THR 78 1HG2 THR 78 -10.137 -10.049 0.191 556 HG23 THR 78 2HG2 THR 78 -9.514 -10.557 -1.378 557 H TYR 79 H TYR 79 -11.140 -6.851 -0.450 558 HA TYR 79 HA TYR 79 -9.464 -6.301 -2.735 559 HB2 TYR 79 1HB TYR 79 -9.935 -4.796 -0.157 560 HB3 TYR 79 2HB TYR 79 -8.891 -4.220 -1.451 561 HD1 TYR 79 HD2 TYR 79 -12.394 -5.130 -0.643 562 HD2 TYR 79 HD1 TYR 79 -9.786 -3.090 -3.314 563 HE1 TYR 79 HE2 TYR 79 -14.337 -4.101 -1.745 564 HE2 TYR 79 HE1 TYR 79 -11.722 -2.054 -4.423 565 HH TYR 79 HH TYR 79 -14.974 -3.046 -3.747 566 H THR 80 H THR 80 -7.602 -7.364 -2.911 567 HA THR 80 HA THR 80 -5.983 -7.783 -0.487 568 HB THR 80 HB THR 80 -5.901 -9.273 -3.118 569 HG1 THR 80 HG1 THR 80 -6.843 -10.922 -1.964 570 HG21 THR 80 3HG2 THR 80 -4.458 -10.202 -0.687 571 HG22 THR 80 1HG2 THR 80 -3.737 -8.902 -1.634 572 HG23 THR 80 2HG2 THR 80 -4.081 -10.457 -2.390 573 H CYS 81 H CYS 81 -4.533 -6.196 -0.291 574 HA CYS 81 HA CYS 81 -3.395 -4.907 -2.620 575 HB2 CYS 81 1HB CYS 81 -3.971 -3.505 -0.734 576 HB3 CYS 81 2HB CYS 81 -2.969 -4.472 0.341 577 HG CYS 81 HG CYS 81 -1.747 -2.601 -2.251 578 H LEU 82 H LEU 82 -1.639 -5.615 -3.617 579 HA LEU 82 HA LEU 82 0.221 -7.349 -2.139 580 HB2 LEU 82 1HB LEU 82 -0.492 -8.608 -3.925 581 HB3 LEU 82 2HB LEU 82 -0.641 -7.209 -4.987 582 HG LEU 82 HG LEU 82 1.787 -7.132 -5.238 583 HD11 LEU 82 1HD1 LEU 82 1.854 -8.537 -2.879 584 HD12 LEU 82 2HD1 LEU 82 3.225 -8.245 -3.948 585 HD13 LEU 82 3HD1 LEU 82 2.312 -9.748 -4.077 586 HD21 LEU 82 3HD2 LEU 82 1.964 -9.595 -6.204 587 HD22 LEU 82 1HD2 LEU 82 0.972 -8.357 -6.975 588 HD23 LEU 82 2HD2 LEU 82 0.223 -9.559 -5.924 589 H ALA 83 H ALA 83 2.119 -6.519 -1.597 590 HA ALA 83 HA ALA 83 3.226 -4.337 -3.242 591 HB1 ALA 83 3HB ALA 83 4.140 -4.316 -0.487 592 HB2 ALA 83 1HB ALA 83 3.472 -3.012 -1.468 593 HB3 ALA 83 2HB ALA 83 2.393 -4.118 -0.619 594 H GLU 84 H GLU 84 4.882 -5.175 -4.340 595 HA GLU 84 HA GLU 84 6.868 -6.750 -2.848 596 HB2 GLU 84 1HB GLU 84 7.191 -8.230 -4.712 597 HB3 GLU 84 2HB GLU 84 5.478 -8.210 -4.317 598 HG2 GLU 84 1HG GLU 84 5.030 -6.725 -6.170 599 HG3 GLU 84 2HG GLU 84 6.751 -6.629 -6.538 600 H ASN 85 H ASN 85 9.008 -6.379 -3.352 601 HA ASN 85 HA ASN 85 9.574 -4.356 -5.406 602 HB2 ASN 85 1HB ASN 85 11.003 -3.112 -3.938 603 HB3 ASN 85 2HB ASN 85 9.458 -3.316 -3.116 604 HD21 ASN 85 1HD2 ASN 85 10.964 -2.728 -1.303 605 HD22 ASN 85 2HD2 ASN 85 11.731 -4.035 -0.472 606 H ALA 86 H ALA 86 12.204 -4.120 -5.319 607 HA ALA 86 HA ALA 86 13.165 -6.511 -6.449 608 HB1 ALA 86 3HB ALA 86 15.086 -4.499 -5.400 609 HB2 ALA 86 1HB ALA 86 15.070 -5.351 -6.944 610 HB3 ALA 86 2HB ALA 86 13.962 -4.006 -6.666 611 H LEU 87 H LEU 87 12.955 -5.466 -3.197 612 HA LEU 87 HA LEU 87 15.073 -7.191 -2.233 613 HB2 LEU 87 1HB LEU 87 13.212 -5.211 -1.044 614 HB3 LEU 87 2HB LEU 87 13.838 -6.475 0.013 615 HG LEU 87 HG LEU 87 15.082 -4.277 0.032 616 HD11 LEU 87 1HD1 LEU 87 16.438 -5.762 1.018 617 HD12 LEU 87 2HD1 LEU 87 17.338 -5.702 -0.497 618 HD13 LEU 87 3HD1 LEU 87 16.163 -6.988 -0.220 619 HD21 LEU 87 3HD2 LEU 87 15.573 -5.148 -2.778 620 HD22 LEU 87 1HD2 LEU 87 16.836 -4.278 -1.908 621 HD23 LEU 87 2HD2 LEU 87 15.253 -3.536 -2.136 622 H GLY 88 H GLY 88 11.708 -6.936 -1.104 623 HA2 GLY 88 1HA GLY 88 11.550 -9.883 -1.238 624 HA3 GLY 88 2HA GLY 88 10.974 -8.986 0.159 625 H GLN 89 H GLN 89 8.938 -10.087 -0.251 626 HA GLN 89 HA GLN 89 7.183 -8.444 -1.827 627 HB2 GLN 89 1HB GLN 89 6.288 -10.265 -3.210 628 HB3 GLN 89 2HB GLN 89 7.984 -9.961 -3.561 629 HG2 GLN 89 1HG GLN 89 8.666 -11.905 -2.391 630 HG3 GLN 89 2HG GLN 89 7.058 -12.135 -1.707 631 HE21 GLN 89 1HE2 GLN 89 5.397 -11.924 -3.770 632 HE22 GLN 89 2HE2 GLN 89 5.726 -13.122 -4.970 633 H VAL 90 H VAL 90 5.239 -8.332 -0.885 634 HA VAL 90 HA VAL 90 4.299 -10.550 0.773 635 HB VAL 90 HB VAL 90 3.772 -9.132 2.661 636 HG11 VAL 90 1HG1 VAL 90 6.057 -8.594 3.431 637 HG12 VAL 90 2HG1 VAL 90 5.942 -10.195 2.696 638 HG13 VAL 90 3HG1 VAL 90 6.646 -8.855 1.789 639 HG21 VAL 90 3HG2 VAL 90 3.917 -7.050 0.855 640 HG22 VAL 90 1HG2 VAL 90 3.723 -6.901 2.601 641 HG23 VAL 90 2HG2 VAL 90 5.330 -6.804 1.881 642 H SER 91 H SER 91 2.022 -10.359 1.355 643 HA SER 91 HA SER 91 0.451 -8.392 -0.098 644 HB2 SER 91 1HB SER 91 -0.768 -9.914 -1.433 645 HB3 SER 91 2HB SER 91 0.915 -10.402 -1.630 646 HG SER 91 HG SER 91 0.537 -12.021 -0.047 647 H CYS 92 H CYS 92 -1.735 -8.274 0.593 648 HA CYS 92 HA CYS 92 -2.459 -9.899 2.918 649 HB2 CYS 92 1HB CYS 92 -3.178 -7.895 4.162 650 HB3 CYS 92 2HB CYS 92 -1.447 -7.883 3.847 651 HG CYS 92 HG CYS 92 -3.809 -6.037 2.198 652 H SER 93 H SER 93 -4.755 -9.737 3.476 653 HA SER 93 HA SER 93 -6.421 -8.888 1.202 654 HB2 SER 93 1HB SER 93 -6.800 -11.413 2.829 655 HB3 SER 93 2HB SER 93 -7.812 -10.877 1.489 656 HG SER 93 HG SER 93 -5.672 -12.375 1.349 657 H ALA 94 H ALA 94 -8.640 -8.403 1.733 658 HA ALA 94 HA ALA 94 -9.193 -7.945 4.573 659 HB1 ALA 94 3HB ALA 94 -9.036 -5.849 2.450 660 HB2 ALA 94 1HB ALA 94 -10.161 -5.659 3.795 661 HB3 ALA 94 2HB ALA 94 -8.432 -5.817 4.107 662 H TRP 95 H TRP 95 -11.511 -7.255 4.901 663 HA TRP 95 HA TRP 95 -13.258 -8.467 2.863 664 HB2 TRP 95 1HB TRP 95 -12.996 -9.995 4.773 665 HB3 TRP 95 2HB TRP 95 -13.534 -8.722 5.866 666 HD1 TRP 95 HD1 TRP 95 -16.145 -8.125 5.869 667 HE1 TRP 95 HE1 TRP 95 -18.206 -9.436 5.058 668 HE3 TRP 95 HE3 TRP 95 -13.794 -11.618 2.970 669 HZ2 TRP 95 HZ2 TRP 95 -18.761 -11.658 3.408 670 HZ3 TRP 95 HZ3 TRP 95 -15.162 -13.302 1.809 671 HH2 TRP 95 HH2 TRP 95 -17.594 -13.320 2.025 672 H VAL 96 H VAL 96 -14.391 -6.851 2.004 673 HA VAL 96 HA VAL 96 -15.449 -4.769 3.803 674 HB VAL 96 HB VAL 96 -14.834 -4.598 0.850 675 HG11 VAL 96 1HG1 VAL 96 -15.418 -2.086 2.126 676 HG12 VAL 96 2HG1 VAL 96 -16.148 -2.812 0.693 677 HG13 VAL 96 3HG1 VAL 96 -16.776 -3.198 2.295 678 HG21 VAL 96 3HG2 VAL 96 -13.181 -2.921 1.548 679 HG22 VAL 96 1HG2 VAL 96 -13.587 -3.236 3.235 680 HG23 VAL 96 2HG2 VAL 96 -12.850 -4.503 2.254 681 H THR 97 H THR 97 -17.590 -4.547 3.981 682 HA THR 97 HA THR 97 -19.301 -5.946 2.031 683 HB THR 97 HB THR 97 -19.877 -5.639 4.983 684 HG1 THR 97 HG1 THR 97 -18.199 -7.145 4.627 685 HG21 THR 97 3HG2 THR 97 -21.581 -6.149 2.815 686 HG22 THR 97 1HG2 THR 97 -21.946 -6.334 4.529 687 HG23 THR 97 2HG2 THR 97 -21.333 -7.705 3.605 688 H VAL 98 H VAL 98 -21.072 -4.882 1.277 689 HA VAL 98 HA VAL 98 -21.417 -2.104 2.195 690 HB VAL 98 HB VAL 98 -22.195 -3.246 -0.490 691 HG11 VAL 98 1HG1 VAL 98 -23.055 -1.238 -1.011 692 HG12 VAL 98 2HG1 VAL 98 -23.145 -1.010 0.737 693 HG13 VAL 98 3HG1 VAL 98 -21.777 -0.362 -0.170 694 HG21 VAL 98 3HG2 VAL 98 -19.994 -1.303 -0.336 695 HG22 VAL 98 1HG2 VAL 98 -19.637 -2.895 0.334 696 HG23 VAL 98 2HG2 VAL 98 -20.171 -2.742 -1.340 697 H HIS 99 H HIS 99 -23.091 -1.980 3.546 698 HA HIS 99 HA HIS 99 -25.134 -3.708 3.988 699 HB2 HIS 99 1HB HIS 99 -25.278 -0.688 4.076 700 HB3 HIS 99 2HB HIS 99 -26.462 -1.767 4.809 701 HD1 HIS 99 HD1 HIS 99 -25.280 -3.517 6.625 702 HD2 HIS 99 HD2 HIS 99 -23.338 0.061 5.797 703 HE1 HIS 99 HE1 HIS 99 -23.696 -3.152 8.544 704 HE2 HIS 99 HE2 HIS 99 -22.594 -0.939 8.064 Start of MODEL 6 1 H1 GLY 1 H GLY 1 30.367 -0.125 -2.639 2 HA2 GLY 1 1HA GLY 1 32.088 2.089 -3.371 3 HA3 GLY 1 2HA GLY 1 31.586 2.078 -1.687 4 H SER 2 H SER 2 34.227 1.952 -2.211 5 HA SER 2 HA SER 2 35.120 -0.793 -2.309 6 HB2 SER 2 1HB SER 2 36.537 1.850 -1.982 7 HB3 SER 2 2HB SER 2 37.387 0.312 -1.833 8 HG SER 2 HG SER 2 37.035 1.550 -4.022 9 H SER 3 H SER 3 34.970 1.796 0.109 10 HA SER 3 HA SER 3 36.084 0.199 2.201 11 HB2 SER 3 1HB SER 3 36.273 2.632 2.267 12 HB3 SER 3 2HB SER 3 34.518 2.789 2.317 13 HG SER 3 HG SER 3 34.651 1.535 4.317 14 H GLY 4 H GLY 4 32.797 1.523 1.738 15 HA2 GLY 4 1HA GLY 4 31.632 -0.972 2.639 16 HA3 GLY 4 2HA GLY 4 31.418 0.376 3.746 17 H SER 5 H SER 5 29.688 -1.299 1.754 18 HA SER 5 HA SER 5 28.648 0.497 -0.148 19 HB2 SER 5 1HB SER 5 26.850 -1.075 -0.427 20 HB3 SER 5 2HB SER 5 28.322 -2.000 -0.137 21 HG SER 5 HG SER 5 26.812 -2.872 1.192 22 H SER 6 H SER 6 26.982 1.938 -0.099 23 HA SER 6 HA SER 6 25.761 2.454 2.534 24 HB2 SER 6 1HB SER 6 25.883 4.790 2.165 25 HB3 SER 6 2HB SER 6 27.458 4.170 1.674 26 HG SER 6 HG SER 6 26.516 4.118 -0.512 27 H GLY 7 H GLY 7 23.657 3.627 2.404 28 HA2 GLY 7 1HA GLY 7 21.527 3.910 1.566 29 HA3 GLY 7 2HA GLY 7 22.163 3.559 -0.034 30 H MET 8 H MET 8 22.036 1.621 2.949 31 HA MET 8 HA MET 8 21.547 -0.812 1.727 32 HB2 MET 8 1HB MET 8 20.913 -1.642 3.875 33 HB3 MET 8 2HB MET 8 22.166 -0.435 4.132 34 HG2 MET 8 1HG MET 8 20.281 1.209 4.561 35 HG3 MET 8 2HG MET 8 19.220 -0.195 4.635 36 HE1 MET 8 3HE MET 8 18.740 1.033 7.265 37 HE2 MET 8 1HE MET 8 20.122 1.333 8.319 38 HE3 MET 8 2HE MET 8 20.001 2.162 6.767 39 H GLU 9 H GLU 9 19.581 -2.130 1.727 40 HA GLU 9 HA GLU 9 17.188 -0.494 1.199 41 HB2 GLU 9 1HB GLU 9 18.204 -2.998 -0.127 42 HB3 GLU 9 2HB GLU 9 16.522 -2.502 -0.261 43 HG2 GLU 9 1HG GLU 9 17.052 -0.589 -1.472 44 HG3 GLU 9 2HG GLU 9 18.741 -0.626 -0.970 45 H VAL 10 H VAL 10 15.210 -2.248 1.131 46 HA VAL 10 HA VAL 10 15.337 -4.067 3.385 47 HB VAL 10 HB VAL 10 13.305 -3.015 4.451 48 HG11 VAL 10 1HG1 VAL 10 15.531 -2.843 5.436 49 HG12 VAL 10 2HG1 VAL 10 15.857 -1.405 4.467 50 HG13 VAL 10 3HG1 VAL 10 14.603 -1.369 5.708 51 HG21 VAL 10 3HG2 VAL 10 13.954 -0.351 3.481 52 HG22 VAL 10 1HG2 VAL 10 13.337 -1.407 2.210 53 HG23 VAL 10 2HG2 VAL 10 12.385 -1.135 3.670 54 H ALA 11 H ALA 11 13.085 -5.066 3.747 55 HA ALA 11 HA ALA 11 12.014 -5.737 1.107 56 HB1 ALA 11 3HB ALA 11 10.830 -7.374 3.059 57 HB2 ALA 11 1HB ALA 11 12.086 -7.807 1.900 58 HB3 ALA 11 2HB ALA 11 12.529 -7.219 3.503 59 HA PRO 12 HA PRO 12 8.139 -3.758 1.673 60 HB2 PRO 12 1HB PRO 12 6.409 -5.552 0.596 61 HB3 PRO 12 2HB PRO 12 7.525 -4.589 -0.380 62 HG2 PRO 12 1HG PRO 12 7.781 -7.425 0.545 63 HG3 PRO 12 2HG PRO 12 8.149 -6.728 -1.044 64 HD2 PRO 12 1HD PRO 12 10.067 -7.266 0.791 65 HD3 PRO 12 2HD PRO 12 10.193 -5.915 -0.353 66 H SER 13 H SER 13 6.527 -3.558 3.153 67 HA SER 13 HA SER 13 5.419 -5.808 4.547 68 HB2 SER 13 1HB SER 13 7.359 -3.969 5.949 69 HB3 SER 13 2HB SER 13 6.152 -4.913 6.823 70 HG SER 13 HG SER 13 7.261 -6.678 6.462 71 H PHE 14 H PHE 14 3.582 -5.277 5.761 72 HA PHE 14 HA PHE 14 2.543 -2.587 5.211 73 HB2 PHE 14 1HB PHE 14 1.178 -5.215 5.789 74 HB3 PHE 14 2HB PHE 14 0.315 -3.680 5.798 75 HD1 PHE 14 HD2 PHE 14 0.635 -2.220 3.637 76 HD2 PHE 14 HD1 PHE 14 1.270 -6.424 3.839 77 HE1 PHE 14 HE2 PHE 14 0.326 -2.381 1.202 78 HE2 PHE 14 HE1 PHE 14 0.963 -6.591 1.404 79 HZ PHE 14 HZ PHE 14 0.489 -4.568 0.082 80 H SER 15 H SER 15 2.588 -1.178 6.819 81 HA SER 15 HA SER 15 3.115 -1.943 9.515 82 HB2 SER 15 1HB SER 15 3.678 0.282 8.226 83 HB3 SER 15 2HB SER 15 2.091 0.782 8.809 84 HG SER 15 HG SER 15 2.801 0.390 10.922 85 H SER 16 H SER 16 0.253 -0.856 7.761 86 HA SER 16 HA SER 16 -1.385 -1.732 10.039 87 HB2 SER 16 1HB SER 16 -1.647 0.842 8.483 88 HB3 SER 16 2HB SER 16 -2.966 0.178 9.447 89 HG SER 16 HG SER 16 -1.063 0.113 11.104 90 H VAL 17 H VAL 17 -1.710 -3.683 8.874 91 HA VAL 17 HA VAL 17 -2.631 -3.885 6.246 92 HB VAL 17 HB VAL 17 -3.448 -6.115 6.844 93 HG11 VAL 17 1HG1 VAL 17 -1.367 -6.965 6.958 94 HG12 VAL 17 2HG1 VAL 17 -0.871 -5.276 6.832 95 HG13 VAL 17 3HG1 VAL 17 -0.964 -6.053 8.412 96 HG21 VAL 17 3HG2 VAL 17 -4.459 -5.672 8.981 97 HG22 VAL 17 1HG2 VAL 17 -3.209 -6.899 9.190 98 HG23 VAL 17 2HG2 VAL 17 -2.898 -5.233 9.675 99 H LEU 18 H LEU 18 -4.701 -4.179 5.366 100 HA LEU 18 HA LEU 18 -6.692 -2.454 6.244 101 HB2 LEU 18 1HB LEU 18 -6.984 -4.905 4.513 102 HB3 LEU 18 2HB LEU 18 -8.168 -3.608 4.656 103 HG LEU 18 HG LEU 18 -5.397 -2.979 3.729 104 HD11 LEU 18 1HD1 LEU 18 -6.674 -4.972 2.478 105 HD12 LEU 18 2HD1 LEU 18 -5.664 -3.795 1.640 106 HD13 LEU 18 3HD1 LEU 18 -7.416 -3.594 1.663 107 HD21 LEU 18 3HD2 LEU 18 -7.806 -1.565 4.091 108 HD22 LEU 18 1HD2 LEU 18 -7.541 -1.683 2.351 109 HD23 LEU 18 2HD2 LEU 18 -6.298 -0.981 3.386 110 H LYS 19 H LYS 19 -8.706 -2.778 7.235 111 HA LYS 19 HA LYS 19 -9.038 -5.318 8.677 112 HB2 LYS 19 1HB LYS 19 -9.431 -2.561 9.856 113 HB3 LYS 19 2HB LYS 19 -9.760 -4.082 10.675 114 HG2 LYS 19 1HG LYS 19 -7.037 -3.331 9.648 115 HG3 LYS 19 2HG LYS 19 -7.599 -2.952 11.278 116 HD2 LYS 19 1HD LYS 19 -7.733 -5.755 10.226 117 HD3 LYS 19 2HD LYS 19 -6.229 -5.114 10.891 118 HE2 LYS 19 1HE LYS 19 -7.127 -6.003 12.788 119 HE3 LYS 19 2HE LYS 19 -7.835 -4.391 12.865 120 HZ1 LYS 19 3HZ LYS 19 -9.438 -6.184 11.332 121 HZ2 LYS 19 1HZ LYS 19 -9.865 -5.230 12.662 122 HZ3 LYS 19 2HZ LYS 19 -9.194 -6.763 12.903 123 H ASP 20 H ASP 20 -11.226 -5.780 9.336 124 HA ASP 20 HA ASP 20 -13.145 -5.697 7.478 125 HB2 ASP 20 1HB ASP 20 -14.838 -5.650 9.428 126 HB3 ASP 20 2HB ASP 20 -13.653 -6.952 9.389 127 H CYS 21 H CYS 21 -14.569 -4.309 6.587 128 HA CYS 21 HA CYS 21 -14.957 -1.681 7.819 129 HB2 CYS 21 1HB CYS 21 -13.105 -1.678 6.027 130 HB3 CYS 21 2HB CYS 21 -14.407 -1.914 4.868 131 HG CYS 21 HG CYS 21 -14.144 0.756 6.995 132 H ALA 22 H ALA 22 -16.839 -0.552 7.056 133 HA ALA 22 HA ALA 22 -18.736 -2.142 5.490 134 HB1 ALA 22 3HB ALA 22 -19.751 -0.819 7.961 135 HB2 ALA 22 1HB ALA 22 -20.392 -2.204 7.078 136 HB3 ALA 22 2HB ALA 22 -18.958 -2.389 8.088 137 H VAL 23 H VAL 23 -20.424 -0.927 4.528 138 HA VAL 23 HA VAL 23 -20.468 1.948 4.838 139 HB VAL 23 HB VAL 23 -18.600 1.539 3.224 140 HG11 VAL 23 1HG1 VAL 23 -19.734 1.037 0.833 141 HG12 VAL 23 2HG1 VAL 23 -18.997 -0.205 1.847 142 HG13 VAL 23 3HG1 VAL 23 -20.745 0.034 1.873 143 HG21 VAL 23 3HG2 VAL 23 -20.690 2.876 1.615 144 HG22 VAL 23 1HG2 VAL 23 -20.423 3.499 3.243 145 HG23 VAL 23 2HG2 VAL 23 -19.088 3.441 2.092 146 H ILE 24 H ILE 24 -22.286 2.933 3.867 147 HA ILE 24 HA ILE 24 -24.492 1.089 3.443 148 HB ILE 24 HB ILE 24 -24.339 4.063 3.852 149 HG12 ILE 24 1HG1 ILE 24 -25.915 1.969 5.351 150 HG13 ILE 24 2HG1 ILE 24 -24.264 2.406 5.777 151 HG21 ILE 24 1HG2 ILE 24 -26.003 3.842 2.172 152 HG22 ILE 24 2HG2 ILE 24 -26.710 2.436 2.967 153 HG23 ILE 24 3HG2 ILE 24 -26.849 4.029 3.708 154 HD11 ILE 24 3HD1 ILE 24 -26.019 3.525 7.131 155 HD12 ILE 24 1HD1 ILE 24 -24.920 4.632 6.309 156 HD13 ILE 24 2HD1 ILE 24 -26.542 4.363 5.670 157 H GLU 25 H GLU 25 -25.795 1.035 1.611 158 HA GLU 25 HA GLU 25 -24.530 1.283 -0.862 159 HB2 GLU 25 1HB GLU 25 -26.578 -0.113 -0.263 160 HB3 GLU 25 2HB GLU 25 -27.519 1.356 -0.479 161 HG2 GLU 25 1HG GLU 25 -26.740 1.511 -2.793 162 HG3 GLU 25 2HG GLU 25 -25.816 0.026 -2.574 163 H GLY 26 H GLY 26 -23.740 3.205 -1.512 164 HA2 GLY 26 1HA GLY 26 -24.464 5.122 -2.896 165 HA3 GLY 26 2HA GLY 26 -25.648 5.459 -1.642 166 H GLN 27 H GLN 27 -22.844 4.418 -0.194 167 HA GLN 27 HA GLN 27 -22.081 7.185 0.414 168 HB2 GLN 27 1HB GLN 27 -21.905 4.603 1.903 169 HB3 GLN 27 2HB GLN 27 -20.733 5.864 2.264 170 HG2 GLN 27 1HG GLN 27 -23.690 6.368 2.293 171 HG3 GLN 27 2HG GLN 27 -22.814 5.773 3.703 172 HE21 GLN 27 1HE2 GLN 27 -23.468 7.701 4.777 173 HE22 GLN 27 2HE2 GLN 27 -22.625 9.184 4.506 174 H ASP 28 H ASP 28 -19.641 7.326 1.058 175 HA ASP 28 HA ASP 28 -18.072 5.993 -1.052 176 HB2 ASP 28 1HB ASP 28 -16.620 8.120 -0.902 177 HB3 ASP 28 2HB ASP 28 -18.162 8.232 -1.745 178 H PHE 29 H PHE 29 -16.278 4.948 -0.440 179 HA PHE 29 HA PHE 29 -15.117 5.521 2.189 180 HB2 PHE 29 1HB PHE 29 -15.130 3.266 2.892 181 HB3 PHE 29 2HB PHE 29 -16.751 3.555 2.267 182 HD1 PHE 29 HD2 PHE 29 -13.509 1.957 1.571 183 HD2 PHE 29 HD1 PHE 29 -17.570 2.388 0.371 184 HE1 PHE 29 HE2 PHE 29 -13.259 0.041 0.049 185 HE2 PHE 29 HE1 PHE 29 -17.327 0.471 -1.153 186 HZ PHE 29 HZ PHE 29 -15.169 -0.704 -1.316 187 H VAL 30 H VAL 30 -12.931 5.354 2.282 188 HA VAL 30 HA VAL 30 -11.559 4.362 -0.132 189 HB VAL 30 HB VAL 30 -11.251 6.681 -0.250 190 HG11 VAL 30 1HG1 VAL 30 -10.510 6.779 2.667 191 HG12 VAL 30 2HG1 VAL 30 -10.792 8.138 1.576 192 HG13 VAL 30 3HG1 VAL 30 -12.134 7.101 2.061 193 HG21 VAL 30 3HG2 VAL 30 -9.151 5.281 -0.335 194 HG22 VAL 30 1HG2 VAL 30 -8.917 6.993 0.015 195 HG23 VAL 30 2HG2 VAL 30 -8.834 5.808 1.318 196 H LEU 31 H LEU 31 -10.789 2.430 0.513 197 HA LEU 31 HA LEU 31 -9.994 1.730 3.099 198 HB2 LEU 31 1HB LEU 31 -9.226 0.606 0.415 199 HB3 LEU 31 2HB LEU 31 -8.740 -0.125 1.943 200 HG LEU 31 HG LEU 31 -11.637 0.325 1.319 201 HD11 LEU 31 1HD1 LEU 31 -11.671 -1.208 -0.279 202 HD12 LEU 31 2HD1 LEU 31 -10.874 -2.368 0.783 203 HD13 LEU 31 3HD1 LEU 31 -9.910 -1.288 -0.224 204 HD21 LEU 31 3HD2 LEU 31 -12.027 -0.986 3.108 205 HD22 LEU 31 1HD2 LEU 31 -10.395 -0.502 3.569 206 HD23 LEU 31 2HD2 LEU 31 -10.661 -2.048 2.763 207 H GLN 32 H GLN 32 -8.452 2.723 4.223 208 HA GLN 32 HA GLN 32 -6.009 3.581 2.840 209 HB2 GLN 32 1HB GLN 32 -7.246 5.297 4.124 210 HB3 GLN 32 2HB GLN 32 -7.021 4.343 5.585 211 HG2 GLN 32 1HG GLN 32 -4.506 4.542 5.054 212 HG3 GLN 32 2HG GLN 32 -4.998 5.864 3.997 213 HE21 GLN 32 1HE2 GLN 32 -5.238 7.808 4.862 214 HE22 GLN 32 2HE2 GLN 32 -5.305 8.156 6.553 215 H CYS 33 H CYS 33 -4.039 2.779 3.354 216 HA CYS 33 HA CYS 33 -3.736 1.086 5.707 217 HB2 CYS 33 1HB CYS 33 -2.774 -0.764 4.420 218 HB3 CYS 33 2HB CYS 33 -4.438 -0.462 3.935 219 HG CYS 33 HG CYS 33 -3.604 1.039 1.636 220 H SER 34 H SER 34 -1.502 0.612 6.216 221 HA SER 34 HA SER 34 0.300 2.690 5.175 222 HB2 SER 34 1HB SER 34 -0.126 2.844 7.577 223 HB3 SER 34 2HB SER 34 0.389 1.171 7.793 224 HG SER 34 HG SER 34 2.072 3.158 6.684 225 H VAL 35 H VAL 35 1.975 2.109 3.969 226 HA VAL 35 HA VAL 35 3.085 -0.595 4.262 227 HB VAL 35 HB VAL 35 1.749 -0.873 2.342 228 HG11 VAL 35 1HG1 VAL 35 1.988 0.769 0.392 229 HG12 VAL 35 2HG1 VAL 35 1.041 1.288 1.788 230 HG13 VAL 35 3HG1 VAL 35 2.692 1.871 1.576 231 HG21 VAL 35 3HG2 VAL 35 4.537 -0.159 1.437 232 HG22 VAL 35 1HG2 VAL 35 3.996 -1.724 2.044 233 HG23 VAL 35 2HG2 VAL 35 3.380 -1.113 0.508 234 H ARG 36 H ARG 36 5.274 -0.750 4.037 235 HA ARG 36 HA ARG 36 6.749 1.640 3.186 236 HB2 ARG 36 1HB ARG 36 7.272 0.073 5.719 237 HB3 ARG 36 2HB ARG 36 8.321 1.331 5.080 238 HG2 ARG 36 1HG ARG 36 6.316 2.879 5.249 239 HG3 ARG 36 2HG ARG 36 5.555 1.609 6.208 240 HD2 ARG 36 1HD ARG 36 7.744 1.690 7.593 241 HD3 ARG 36 2HD ARG 36 7.970 3.265 6.832 242 HE ARG 36 HE ARG 36 5.376 3.049 7.956 243 HH11 ARG 36 2HH1 ARG 36 8.720 3.512 8.807 244 HH12 ARG 36 1HH1 ARG 36 8.365 4.389 10.258 245 HH21 ARG 36 2HH2 ARG 36 4.895 4.203 9.864 246 HH22 ARG 36 1HH2 ARG 36 6.189 4.781 10.859 247 H GLY 37 H GLY 37 9.043 1.188 2.709 248 HA2 GLY 37 1HA GLY 37 10.353 -1.180 2.599 249 HA3 GLY 37 2HA GLY 37 9.261 -1.280 1.226 250 H THR 38 H THR 38 11.993 -1.381 0.879 251 HA THR 38 HA THR 38 12.396 0.970 -0.784 252 HB THR 38 HB THR 38 14.149 0.290 1.554 253 HG1 THR 38 HG1 THR 38 13.481 2.825 0.463 254 HG21 THR 38 3HG2 THR 38 15.819 0.245 -0.051 255 HG22 THR 38 1HG2 THR 38 15.784 1.952 0.389 256 HG23 THR 38 2HG2 THR 38 14.995 1.406 -1.091 257 HA PRO 39 HA PRO 39 13.235 1.598 -2.469 258 HB2 PRO 39 1HB PRO 39 12.498 1.072 -5.028 259 HB3 PRO 39 2HB PRO 39 14.179 1.330 -4.546 260 HG2 PRO 39 1HG PRO 39 12.719 -1.239 -5.023 261 HG3 PRO 39 2HG PRO 39 14.356 -0.774 -5.521 262 HD2 PRO 39 1HD PRO 39 13.880 -2.348 -3.370 263 HD3 PRO 39 2HD PRO 39 15.251 -1.222 -3.445 264 H VAL 40 H VAL 40 11.164 2.335 -3.813 265 HA VAL 40 HA VAL 40 8.920 1.612 -2.293 266 HB VAL 40 HB VAL 40 8.967 2.955 -5.000 267 HG11 VAL 40 1HG1 VAL 40 6.842 3.553 -3.049 268 HG12 VAL 40 2HG1 VAL 40 6.761 3.383 -4.803 269 HG13 VAL 40 3HG1 VAL 40 6.785 1.948 -3.777 270 HG21 VAL 40 3HG2 VAL 40 9.825 3.842 -2.402 271 HG22 VAL 40 1HG2 VAL 40 9.923 4.669 -3.957 272 HG23 VAL 40 2HG2 VAL 40 8.470 4.818 -2.970 273 HA PRO 41 HA PRO 41 7.884 -2.206 -4.341 274 HB2 PRO 41 1HB PRO 41 5.630 -2.687 -2.907 275 HB3 PRO 41 2HB PRO 41 7.254 -2.966 -2.267 276 HG2 PRO 41 1HG PRO 41 5.418 -0.642 -1.828 277 HG3 PRO 41 2HG PRO 41 6.427 -1.507 -0.655 278 HD2 PRO 41 1HD PRO 41 7.155 0.869 -1.731 279 HD3 PRO 41 2HD PRO 41 8.337 -0.374 -1.273 280 H ARG 42 H ARG 42 5.715 -3.130 -5.210 281 HA ARG 42 HA ARG 42 4.502 -1.027 -6.842 282 HB2 ARG 42 1HB ARG 42 4.804 -3.992 -7.129 283 HB3 ARG 42 2HB ARG 42 3.529 -3.163 -8.011 284 HG2 ARG 42 1HG ARG 42 5.387 -3.341 -9.465 285 HG3 ARG 42 2HG ARG 42 5.289 -1.654 -8.957 286 HD2 ARG 42 1HD ARG 42 7.015 -2.105 -7.249 287 HD3 ARG 42 2HD ARG 42 7.145 -3.757 -7.850 288 HE ARG 42 HE ARG 42 7.617 -2.340 -10.066 289 HH11 ARG 42 2HH1 ARG 42 8.882 -2.054 -6.835 290 HH12 ARG 42 1HH1 ARG 42 10.411 -1.422 -7.350 291 HH21 ARG 42 2HH2 ARG 42 9.626 -1.509 -10.756 292 HH22 ARG 42 1HH2 ARG 42 10.833 -1.112 -9.580 293 H ILE 43 H ILE 43 2.570 -0.254 -6.338 294 HA ILE 43 HA ILE 43 0.906 -1.667 -4.411 295 HB ILE 43 HB ILE 43 0.353 1.019 -5.665 296 HG12 ILE 43 1HG1 ILE 43 2.536 1.160 -4.637 297 HG13 ILE 43 2HG1 ILE 43 1.373 1.973 -3.595 298 HG21 ILE 43 1HG2 ILE 43 -0.956 -0.648 -3.682 299 HG22 ILE 43 2HG2 ILE 43 -0.605 0.969 -3.075 300 HG23 ILE 43 3HG2 ILE 43 -1.558 0.767 -4.545 301 HD11 ILE 43 3HD1 ILE 43 1.409 -0.632 -2.665 302 HD12 ILE 43 1HD1 ILE 43 3.094 -0.276 -3.045 303 HD13 ILE 43 2HD1 ILE 43 2.201 0.765 -1.935 304 H THR 44 H THR 44 -0.353 -3.205 -5.252 305 HA THR 44 HA THR 44 -2.081 -2.479 -7.513 306 HB THR 44 HB THR 44 -0.683 -5.145 -7.225 307 HG1 THR 44 HG1 THR 44 -0.160 -2.835 -8.715 308 HG21 THR 44 3HG2 THR 44 -1.736 -4.984 -9.762 309 HG22 THR 44 1HG2 THR 44 -2.997 -4.257 -8.767 310 HG23 THR 44 2HG2 THR 44 -2.430 -5.890 -8.418 311 H TRP 45 H TRP 45 -4.131 -2.646 -6.917 312 HA TRP 45 HA TRP 45 -4.844 -4.302 -4.629 313 HB2 TRP 45 1HB TRP 45 -6.472 -2.313 -6.225 314 HB3 TRP 45 2HB TRP 45 -7.041 -3.164 -4.791 315 HD1 TRP 45 HD1 TRP 45 -4.338 -0.586 -5.800 316 HE1 TRP 45 HE1 TRP 45 -3.834 0.884 -3.748 317 HE3 TRP 45 HE3 TRP 45 -7.248 -2.986 -2.349 318 HZ2 TRP 45 HZ2 TRP 45 -4.573 1.009 -1.026 319 HZ3 TRP 45 HZ3 TRP 45 -7.293 -2.128 -0.043 320 HH2 TRP 45 HH2 TRP 45 -5.982 -0.172 0.602 321 H LEU 46 H LEU 46 -6.005 -6.139 -4.730 322 HA LEU 46 HA LEU 46 -6.993 -6.974 -7.378 323 HB2 LEU 46 1HB LEU 46 -5.687 -8.560 -5.186 324 HB3 LEU 46 2HB LEU 46 -6.628 -9.325 -6.466 325 HG LEU 46 HG LEU 46 -4.348 -7.529 -7.181 326 HD11 LEU 46 1HD1 LEU 46 -2.741 -9.198 -6.915 327 HD12 LEU 46 2HD1 LEU 46 -3.951 -10.456 -6.669 328 HD13 LEU 46 3HD1 LEU 46 -3.664 -9.252 -5.413 329 HD21 LEU 46 3HD2 LEU 46 -4.582 -8.419 -9.227 330 HD22 LEU 46 1HD2 LEU 46 -6.183 -8.891 -8.655 331 HD23 LEU 46 2HD2 LEU 46 -4.851 -10.046 -8.600 332 H LEU 47 H LEU 47 -9.058 -7.634 -7.537 333 HA LEU 47 HA LEU 47 -10.572 -8.050 -5.047 334 HB2 LEU 47 1HB LEU 47 -11.042 -5.834 -6.005 335 HB3 LEU 47 2HB LEU 47 -11.534 -6.604 -7.512 336 HG LEU 47 HG LEU 47 -13.322 -7.786 -6.108 337 HD11 LEU 47 1HD1 LEU 47 -12.124 -6.994 -3.957 338 HD12 LEU 47 2HD1 LEU 47 -13.886 -6.972 -4.016 339 HD13 LEU 47 3HD1 LEU 47 -12.977 -5.477 -4.238 340 HD21 LEU 47 3HD2 LEU 47 -13.263 -5.349 -7.469 341 HD22 LEU 47 1HD2 LEU 47 -14.148 -5.030 -5.977 342 HD23 LEU 47 2HD2 LEU 47 -14.684 -6.313 -7.062 343 H ASN 48 H ASN 48 -11.851 -9.806 -4.992 344 HA ASN 48 HA ASN 48 -12.624 -11.871 -5.584 345 HB2 ASN 48 1HB ASN 48 -13.549 -10.018 -7.734 346 HB3 ASN 48 2HB ASN 48 -13.812 -11.745 -7.955 347 HD21 ASN 48 1HD2 ASN 48 -13.970 -9.578 -5.150 348 HD22 ASN 48 2HD2 ASN 48 -15.578 -10.012 -4.691 349 H GLY 49 H GLY 49 -9.844 -11.153 -6.386 350 HA2 GLY 49 1HA GLY 49 -8.145 -12.422 -7.323 351 HA3 GLY 49 2HA GLY 49 -9.363 -13.487 -8.010 352 H GLN 50 H GLN 50 -9.295 -10.009 -8.483 353 HA GLN 50 HA GLN 50 -8.175 -10.311 -11.154 354 HB2 GLN 50 1HB GLN 50 -10.020 -9.663 -12.352 355 HB3 GLN 50 2HB GLN 50 -10.803 -10.557 -11.055 356 HG2 GLN 50 1HG GLN 50 -10.942 -8.269 -9.872 357 HG3 GLN 50 2HG GLN 50 -10.638 -7.604 -11.476 358 HE21 GLN 50 1HE2 GLN 50 -12.994 -7.310 -9.849 359 HE22 GLN 50 2HE2 GLN 50 -14.310 -7.971 -10.751 360 HA PRO 51 HA PRO 51 -6.373 -6.436 -10.088 361 HB2 PRO 51 1HB PRO 51 -5.617 -5.638 -12.570 362 HB3 PRO 51 2HB PRO 51 -4.783 -6.914 -11.676 363 HG2 PRO 51 1HG PRO 51 -6.832 -7.149 -13.845 364 HG3 PRO 51 2HG PRO 51 -5.335 -8.072 -13.615 365 HD2 PRO 51 1HD PRO 51 -7.766 -9.044 -12.926 366 HD3 PRO 51 2HD PRO 51 -6.285 -9.461 -12.040 367 H ILE 52 H ILE 52 -7.278 -4.527 -9.662 368 HA ILE 52 HA ILE 52 -9.709 -3.729 -10.971 369 HB ILE 52 HB ILE 52 -8.106 -2.112 -8.993 370 HG12 ILE 52 1HG1 ILE 52 -10.299 -4.107 -8.394 371 HG13 ILE 52 2HG1 ILE 52 -8.583 -4.421 -8.160 372 HG21 ILE 52 1HG2 ILE 52 -10.240 -1.348 -10.449 373 HG22 ILE 52 2HG2 ILE 52 -11.050 -2.039 -9.044 374 HG23 ILE 52 3HG2 ILE 52 -9.884 -0.733 -8.835 375 HD11 ILE 52 3HD1 ILE 52 -8.477 -3.178 -6.287 376 HD12 ILE 52 1HD1 ILE 52 -9.652 -1.998 -6.868 377 HD13 ILE 52 2HD1 ILE 52 -10.201 -3.546 -6.225 378 H GLN 53 H GLN 53 -9.607 -2.873 -12.946 379 HA GLN 53 HA GLN 53 -7.344 -1.462 -13.942 380 HB2 GLN 53 1HB GLN 53 -10.155 -1.649 -15.039 381 HB3 GLN 53 2HB GLN 53 -8.765 -1.019 -15.912 382 HG2 GLN 53 1HG GLN 53 -7.726 -3.148 -15.970 383 HG3 GLN 53 2HG GLN 53 -8.893 -3.819 -14.831 384 HE21 GLN 53 1HE2 GLN 53 -10.051 -5.269 -15.880 385 HE22 GLN 53 2HE2 GLN 53 -10.789 -5.053 -17.427 386 H TYR 54 H TYR 54 -10.612 -0.439 -12.981 387 HA TYR 54 HA TYR 54 -9.867 2.357 -13.239 388 HB2 TYR 54 1HB TYR 54 -12.187 2.841 -12.768 389 HB3 TYR 54 2HB TYR 54 -12.110 1.543 -13.954 390 HD1 TYR 54 HD2 TYR 54 -12.481 -0.833 -13.167 391 HD2 TYR 54 HD1 TYR 54 -13.309 2.546 -10.718 392 HE1 TYR 54 HE2 TYR 54 -13.915 -2.228 -11.737 393 HE2 TYR 54 HE1 TYR 54 -14.745 1.160 -9.281 394 HH TYR 54 HH TYR 54 -15.867 -0.841 -9.181 395 H ALA 55 H ALA 55 -8.350 1.011 -11.327 396 HA ALA 55 HA ALA 55 -9.465 1.680 -8.722 397 HB1 ALA 55 3HB ALA 55 -8.207 -0.008 -8.028 398 HB2 ALA 55 1HB ALA 55 -7.588 -0.215 -9.667 399 HB3 ALA 55 2HB ALA 55 -6.751 0.847 -8.535 400 H ARG 56 H ARG 56 -9.487 3.883 -8.541 401 HA ARG 56 HA ARG 56 -7.243 5.500 -9.315 402 HB2 ARG 56 1HB ARG 56 -9.891 6.009 -8.018 403 HB3 ARG 56 2HB ARG 56 -8.644 7.246 -7.934 404 HG2 ARG 56 1HG ARG 56 -8.533 6.791 -10.539 405 HG3 ARG 56 2HG ARG 56 -10.194 6.264 -10.261 406 HD2 ARG 56 1HD ARG 56 -10.252 8.579 -10.837 407 HD3 ARG 56 2HD ARG 56 -10.609 8.445 -9.116 408 HE ARG 56 HE ARG 56 -7.880 8.852 -9.327 409 HH11 ARG 56 2HH1 ARG 56 -10.803 10.555 -10.151 410 HH12 ARG 56 1HH1 ARG 56 -10.095 12.125 -9.966 411 HH21 ARG 56 2HH2 ARG 56 -6.937 10.913 -9.080 412 HH22 ARG 56 1HH2 ARG 56 -7.895 12.328 -9.357 413 H SER 57 H SER 57 -6.135 3.707 -7.711 414 HA SER 57 HA SER 57 -6.117 4.393 -4.951 415 HB2 SER 57 1HB SER 57 -4.176 2.889 -4.804 416 HB3 SER 57 2HB SER 57 -5.476 2.154 -5.742 417 HG SER 57 HG SER 57 -3.151 2.172 -6.564 418 H THR 58 H THR 58 -4.694 5.616 -3.773 419 HA THR 58 HA THR 58 -2.658 7.130 -5.262 420 HB THR 58 HB THR 58 -3.228 9.138 -3.879 421 HG1 THR 58 HG1 THR 58 -4.597 7.589 -2.443 422 HG21 THR 58 3HG2 THR 58 -5.745 8.985 -5.163 423 HG22 THR 58 1HG2 THR 58 -4.599 8.080 -6.151 424 HG23 THR 58 2HG2 THR 58 -4.273 9.764 -5.743 425 H CYS 59 H CYS 59 -0.729 6.812 -4.388 426 HA CYS 59 HA CYS 59 -0.555 6.035 -1.565 427 HB2 CYS 59 1HB CYS 59 1.716 5.236 -2.135 428 HB3 CYS 59 2HB CYS 59 0.473 4.471 -3.118 429 HG CYS 59 HG CYS 59 3.111 5.437 -4.315 430 H GLU 60 H GLU 60 0.077 7.486 -0.124 431 HA GLU 60 HA GLU 60 1.866 9.656 -0.993 432 HB2 GLU 60 1HB GLU 60 -0.731 9.818 0.464 433 HB3 GLU 60 2HB GLU 60 0.540 10.948 0.912 434 HG2 GLU 60 1HG GLU 60 0.469 12.044 -1.090 435 HG3 GLU 60 2HG GLU 60 -0.124 10.634 -1.967 436 H ALA 61 H ALA 61 3.649 9.845 0.193 437 HA ALA 61 HA ALA 61 5.237 9.294 1.750 438 HB1 ALA 61 3HB ALA 61 3.112 9.799 3.802 439 HB2 ALA 61 1HB ALA 61 4.827 10.207 3.854 440 HB3 ALA 61 2HB ALA 61 3.739 11.102 2.792 441 H GLY 62 H GLY 62 4.131 6.989 0.754 442 HA2 GLY 62 1HA GLY 62 4.150 4.736 1.227 443 HA3 GLY 62 2HA GLY 62 4.691 5.141 2.849 444 H VAL 63 H VAL 63 1.727 6.330 1.388 445 HA VAL 63 HA VAL 63 0.188 4.598 3.209 446 HB VAL 63 HB VAL 63 -0.388 7.503 2.609 447 HG11 VAL 63 1HG1 VAL 63 -1.887 6.559 4.799 448 HG12 VAL 63 2HG1 VAL 63 -2.479 7.068 3.216 449 HG13 VAL 63 3HG1 VAL 63 -2.075 5.376 3.506 450 HG21 VAL 63 3HG2 VAL 63 0.027 6.687 5.385 451 HG22 VAL 63 1HG2 VAL 63 1.458 6.514 4.369 452 HG23 VAL 63 2HG2 VAL 63 0.657 8.080 4.506 453 H ALA 64 H ALA 64 -0.518 3.162 1.683 454 HA ALA 64 HA ALA 64 -1.555 4.000 -0.856 455 HB1 ALA 64 3HB ALA 64 -1.276 1.862 -1.392 456 HB2 ALA 64 1HB ALA 64 -0.650 1.600 0.237 457 HB3 ALA 64 2HB ALA 64 -2.361 1.337 -0.104 458 H GLU 65 H GLU 65 -3.606 4.428 -1.426 459 HA GLU 65 HA GLU 65 -5.780 3.705 0.397 460 HB2 GLU 65 1HB GLU 65 -5.463 6.486 -0.741 461 HB3 GLU 65 2HB GLU 65 -6.734 5.927 0.337 462 HG2 GLU 65 1HG GLU 65 -4.714 5.370 1.914 463 HG3 GLU 65 2HG GLU 65 -3.896 6.582 0.929 464 H LEU 66 H LEU 66 -7.697 3.244 -0.594 465 HA LEU 66 HA LEU 66 -7.752 3.499 -3.530 466 HB2 LEU 66 1HB LEU 66 -7.462 1.180 -2.776 467 HB3 LEU 66 2HB LEU 66 -8.946 1.310 -1.834 468 HG LEU 66 HG LEU 66 -10.127 1.748 -4.046 469 HD11 LEU 66 1HD1 LEU 66 -8.892 0.670 -5.989 470 HD12 LEU 66 2HD1 LEU 66 -7.427 0.882 -5.031 471 HD13 LEU 66 3HD1 LEU 66 -8.376 2.288 -5.511 472 HD21 LEU 66 3HD2 LEU 66 -9.440 -0.608 -2.708 473 HD22 LEU 66 1HD2 LEU 66 -9.192 -0.946 -4.421 474 HD23 LEU 66 2HD2 LEU 66 -10.760 -0.372 -3.854 475 H HIS 67 H HIS 67 -9.000 5.292 -3.758 476 HA HIS 67 HA HIS 67 -11.316 5.804 -2.171 477 HB2 HIS 67 1HB HIS 67 -10.389 7.034 -4.774 478 HB3 HIS 67 2HB HIS 67 -11.727 7.639 -3.801 479 HD1 HIS 67 HD1 HIS 67 -11.137 9.349 -2.105 480 HD2 HIS 67 HD2 HIS 67 -7.833 7.125 -3.287 481 HE1 HIS 67 HE1 HIS 67 -9.166 10.413 -0.962 482 HE2 HIS 67 HE2 HIS 67 -7.168 9.103 -1.760 483 H ILE 68 H ILE 68 -13.165 4.735 -2.331 484 HA ILE 68 HA ILE 68 -14.059 3.865 -5.001 485 HB ILE 68 HB ILE 68 -14.581 2.405 -2.410 486 HG12 ILE 68 1HG1 ILE 68 -12.185 2.371 -3.334 487 HG13 ILE 68 2HG1 ILE 68 -12.950 0.818 -3.022 488 HG21 ILE 68 1HG2 ILE 68 -15.284 0.599 -4.086 489 HG22 ILE 68 2HG2 ILE 68 -16.381 1.954 -3.826 490 HG23 ILE 68 3HG2 ILE 68 -15.359 1.910 -5.263 491 HD11 ILE 68 3HD1 ILE 68 -13.315 1.865 -5.738 492 HD12 ILE 68 1HD1 ILE 68 -11.658 1.451 -5.299 493 HD13 ILE 68 2HD1 ILE 68 -12.931 0.235 -5.185 494 H GLN 69 H GLN 69 -15.542 5.397 -5.471 495 HA GLN 69 HA GLN 69 -17.476 6.209 -3.444 496 HB2 GLN 69 1HB GLN 69 -18.160 7.916 -5.045 497 HB3 GLN 69 2HB GLN 69 -16.417 7.948 -4.818 498 HG2 GLN 69 1HG GLN 69 -16.021 6.954 -6.914 499 HG3 GLN 69 2HG GLN 69 -17.712 6.491 -7.098 500 HE21 GLN 69 1HE2 GLN 69 -15.597 9.306 -6.811 501 HE22 GLN 69 2HE2 GLN 69 -16.543 10.342 -7.819 502 H ASP 70 H ASP 70 -19.790 6.411 -4.152 503 HA ASP 70 HA ASP 70 -21.735 5.350 -4.682 504 HB2 ASP 70 1HB ASP 70 -20.066 5.112 -7.148 505 HB3 ASP 70 2HB ASP 70 -21.589 4.230 -7.079 506 H ALA 71 H ALA 71 -20.248 3.880 -2.952 507 HA ALA 71 HA ALA 71 -19.466 1.331 -3.549 508 HB1 ALA 71 3HB ALA 71 -19.142 1.511 -1.351 509 HB2 ALA 71 1HB ALA 71 -20.427 2.707 -1.179 510 HB3 ALA 71 2HB ALA 71 -20.816 0.987 -1.167 511 H LEU 72 H LEU 72 -20.538 0.094 -4.989 512 HA LEU 72 HA LEU 72 -23.431 -0.200 -4.788 513 HB2 LEU 72 1HB LEU 72 -21.384 -1.082 -6.800 514 HB3 LEU 72 2HB LEU 72 -23.044 -1.674 -6.841 515 HG LEU 72 HG LEU 72 -22.080 1.149 -7.256 516 HD11 LEU 72 1HD1 LEU 72 -22.177 -0.768 -9.071 517 HD12 LEU 72 2HD1 LEU 72 -22.645 0.890 -9.447 518 HD13 LEU 72 3HD1 LEU 72 -23.882 -0.319 -9.104 519 HD21 LEU 72 3HD2 LEU 72 -24.028 1.403 -5.947 520 HD22 LEU 72 1HD2 LEU 72 -24.859 0.097 -6.793 521 HD23 LEU 72 2HD2 LEU 72 -24.540 1.621 -7.621 522 HA PRO 73 HA PRO 73 -23.402 -4.059 -2.695 523 HB2 PRO 73 1HB PRO 73 -25.544 -5.287 -3.824 524 HB3 PRO 73 2HB PRO 73 -25.697 -3.939 -2.691 525 HG2 PRO 73 1HG PRO 73 -25.831 -3.925 -5.682 526 HG3 PRO 73 2HG PRO 73 -26.855 -3.072 -4.512 527 HD2 PRO 73 1HD PRO 73 -24.834 -1.854 -5.839 528 HD3 PRO 73 2HD PRO 73 -25.308 -1.394 -4.191 529 H GLU 74 H GLU 74 -22.687 -3.807 -5.964 530 HA GLU 74 HA GLU 74 -22.206 -6.692 -6.249 531 HB2 GLU 74 1HB GLU 74 -22.106 -6.344 -8.617 532 HB3 GLU 74 2HB GLU 74 -23.540 -5.524 -8.015 533 HG2 GLU 74 1HG GLU 74 -22.518 -3.398 -8.212 534 HG3 GLU 74 2HG GLU 74 -20.934 -4.114 -8.503 535 H ASP 75 H ASP 75 -20.645 -3.813 -5.519 536 HA ASP 75 HA ASP 75 -18.094 -4.488 -6.702 537 HB2 ASP 75 1HB ASP 75 -19.187 -2.214 -5.121 538 HB3 ASP 75 2HB ASP 75 -17.448 -2.488 -5.055 539 H HIS 76 H HIS 76 -19.688 -4.768 -3.605 540 HA HIS 76 HA HIS 76 -17.655 -5.135 -1.831 541 HB2 HIS 76 1HB HIS 76 -19.173 -6.190 -0.457 542 HB3 HIS 76 2HB HIS 76 -20.270 -5.427 -1.605 543 HD1 HIS 76 HD1 HIS 76 -20.481 -7.288 -3.866 544 HD2 HIS 76 HD2 HIS 76 -20.107 -8.666 0.036 545 HE1 HIS 76 HE1 HIS 76 -21.394 -9.631 -3.890 546 HE2 HIS 76 HE2 HIS 76 -21.236 -10.414 -1.501 547 H GLY 77 H GLY 77 -16.154 -6.662 -1.346 548 HA2 GLY 77 1HA GLY 77 -16.218 -9.336 -2.273 549 HA3 GLY 77 2HA GLY 77 -15.195 -8.369 -3.326 550 H THR 78 H THR 78 -13.185 -9.014 -2.838 551 HA THR 78 HA THR 78 -12.303 -8.660 -0.057 552 HB THR 78 HB THR 78 -11.377 -10.943 -1.806 553 HG1 THR 78 HG1 THR 78 -13.171 -11.000 0.411 554 HG21 THR 78 3HG2 THR 78 -10.161 -9.781 0.372 555 HG22 THR 78 1HG2 THR 78 -9.882 -11.423 -0.204 556 HG23 THR 78 2HG2 THR 78 -11.046 -11.128 1.088 557 H TYR 79 H TYR 79 -11.267 -6.737 -0.485 558 HA TYR 79 HA TYR 79 -9.490 -6.427 -2.715 559 HB2 TYR 79 1HB TYR 79 -10.017 -4.719 -0.280 560 HB3 TYR 79 2HB TYR 79 -8.896 -4.265 -1.559 561 HD1 TYR 79 HD2 TYR 79 -12.444 -4.873 -0.756 562 HD2 TYR 79 HD1 TYR 79 -9.684 -3.420 -3.650 563 HE1 TYR 79 HE2 TYR 79 -14.305 -3.888 -2.026 564 HE2 TYR 79 HE1 TYR 79 -11.538 -2.429 -4.928 565 HH TYR 79 HH TYR 79 -14.266 -3.095 -5.029 566 H THR 80 H THR 80 -7.324 -6.651 -2.795 567 HA THR 80 HA THR 80 -5.847 -7.131 -0.311 568 HB THR 80 HB THR 80 -5.768 -8.969 -2.711 569 HG1 THR 80 HG1 THR 80 -7.389 -9.712 -1.491 570 HG21 THR 80 3HG2 THR 80 -3.646 -9.359 -2.118 571 HG22 THR 80 1HG2 THR 80 -4.296 -10.116 -0.665 572 HG23 THR 80 2HG2 THR 80 -3.809 -8.422 -0.634 573 H CYS 81 H CYS 81 -4.322 -5.618 -0.301 574 HA CYS 81 HA CYS 81 -3.262 -4.543 -2.770 575 HB2 CYS 81 1HB CYS 81 -3.670 -2.928 -1.074 576 HB3 CYS 81 2HB CYS 81 -2.824 -3.881 0.139 577 HG CYS 81 HG CYS 81 -1.359 -2.253 -2.492 578 H LEU 82 H LEU 82 -1.686 -5.562 -3.805 579 HA LEU 82 HA LEU 82 0.196 -7.222 -2.306 580 HB2 LEU 82 1HB LEU 82 -0.706 -8.379 -4.134 581 HB3 LEU 82 2HB LEU 82 -0.527 -6.992 -5.207 582 HG LEU 82 HG LEU 82 1.881 -7.315 -5.262 583 HD11 LEU 82 1HD1 LEU 82 1.313 -9.565 -3.346 584 HD12 LEU 82 2HD1 LEU 82 2.341 -8.156 -3.088 585 HD13 LEU 82 3HD1 LEU 82 2.824 -9.400 -4.240 586 HD21 LEU 82 3HD2 LEU 82 1.846 -9.702 -6.245 587 HD22 LEU 82 1HD2 LEU 82 0.851 -8.457 -7.002 588 HD23 LEU 82 2HD2 LEU 82 0.112 -9.641 -5.922 589 H ALA 83 H ALA 83 1.911 -6.163 -1.550 590 HA ALA 83 HA ALA 83 3.191 -4.152 -3.283 591 HB1 ALA 83 3HB ALA 83 2.408 -4.035 -0.552 592 HB2 ALA 83 1HB ALA 83 4.168 -3.937 -0.634 593 HB3 ALA 83 2HB ALA 83 3.177 -2.789 -1.535 594 H GLU 84 H GLU 84 4.752 -5.207 -4.372 595 HA GLU 84 HA GLU 84 6.714 -6.720 -2.779 596 HB2 GLU 84 1HB GLU 84 6.992 -8.311 -4.539 597 HB3 GLU 84 2HB GLU 84 5.269 -8.186 -4.215 598 HG2 GLU 84 1HG GLU 84 4.938 -6.832 -6.163 599 HG3 GLU 84 2HG GLU 84 6.675 -6.741 -6.446 600 H ASN 85 H ASN 85 8.885 -6.563 -3.426 601 HA ASN 85 HA ASN 85 9.490 -4.544 -5.470 602 HB2 ASN 85 1HB ASN 85 11.107 -3.457 -4.036 603 HB3 ASN 85 2HB ASN 85 9.550 -3.487 -3.213 604 HD21 ASN 85 1HD2 ASN 85 11.328 -3.026 -1.505 605 HD22 ASN 85 2HD2 ASN 85 11.866 -4.413 -0.626 606 H ALA 86 H ALA 86 12.154 -4.477 -5.438 607 HA ALA 86 HA ALA 86 12.895 -6.940 -6.626 608 HB1 ALA 86 3HB ALA 86 14.893 -5.919 -7.189 609 HB2 ALA 86 1HB ALA 86 13.795 -4.545 -7.051 610 HB3 ALA 86 2HB ALA 86 14.910 -4.918 -5.737 611 H LEU 87 H LEU 87 12.524 -6.213 -3.444 612 HA LEU 87 HA LEU 87 14.715 -7.970 -2.571 613 HB2 LEU 87 1HB LEU 87 13.217 -5.745 -1.291 614 HB3 LEU 87 2HB LEU 87 13.807 -7.045 -0.258 615 HG LEU 87 HG LEU 87 16.093 -6.549 -1.419 616 HD11 LEU 87 1HD1 LEU 87 14.389 -4.331 -2.305 617 HD12 LEU 87 2HD1 LEU 87 15.890 -4.956 -2.986 618 HD13 LEU 87 3HD1 LEU 87 15.939 -3.850 -1.614 619 HD21 LEU 87 3HD2 LEU 87 14.909 -5.821 0.977 620 HD22 LEU 87 1HD2 LEU 87 15.592 -4.317 0.359 621 HD23 LEU 87 2HD2 LEU 87 16.626 -5.728 0.581 622 H GLY 88 H GLY 88 11.543 -7.247 -1.135 623 HA2 GLY 88 1HA GLY 88 11.019 -10.157 -1.107 624 HA3 GLY 88 2HA GLY 88 10.613 -9.103 0.240 625 H GLN 89 H GLN 89 8.469 -10.126 -0.107 626 HA GLN 89 HA GLN 89 6.799 -8.343 -1.621 627 HB2 GLN 89 1HB GLN 89 5.715 -10.095 -2.969 628 HB3 GLN 89 2HB GLN 89 7.411 -9.895 -3.391 629 HG2 GLN 89 1HG GLN 89 8.008 -11.932 -2.550 630 HG3 GLN 89 2HG GLN 89 6.686 -11.961 -1.384 631 HE21 GLN 89 1HE2 GLN 89 6.715 -11.471 -4.890 632 HE22 GLN 89 2HE2 GLN 89 5.662 -12.791 -5.259 633 H VAL 90 H VAL 90 4.832 -8.148 -0.705 634 HA VAL 90 HA VAL 90 3.884 -10.256 1.096 635 HB VAL 90 HB VAL 90 3.328 -8.667 2.850 636 HG11 VAL 90 1HG1 VAL 90 5.429 -9.725 3.136 637 HG12 VAL 90 2HG1 VAL 90 6.205 -8.657 1.964 638 HG13 VAL 90 3HG1 VAL 90 5.672 -8.021 3.521 639 HG21 VAL 90 3HG2 VAL 90 3.709 -6.385 2.764 640 HG22 VAL 90 1HG2 VAL 90 4.909 -6.531 1.479 641 HG23 VAL 90 2HG2 VAL 90 3.196 -6.738 1.114 642 H SER 91 H SER 91 1.606 -10.029 1.669 643 HA SER 91 HA SER 91 0.016 -8.198 0.072 644 HB2 SER 91 1HB SER 91 -1.251 -9.885 -1.074 645 HB3 SER 91 2HB SER 91 0.454 -10.215 -1.378 646 HG SER 91 HG SER 91 -1.034 -12.017 -0.684 647 H CYS 92 H CYS 92 -1.859 -7.664 1.050 648 HA CYS 92 HA CYS 92 -2.742 -9.305 3.327 649 HB2 CYS 92 1HB CYS 92 -3.267 -7.246 4.570 650 HB3 CYS 92 2HB CYS 92 -1.551 -7.359 4.200 651 HG CYS 92 HG CYS 92 -3.189 -4.761 3.877 652 H SER 93 H SER 93 -4.806 -9.882 3.214 653 HA SER 93 HA SER 93 -6.518 -8.574 1.234 654 HB2 SER 93 1HB SER 93 -8.007 -10.572 1.622 655 HB3 SER 93 2HB SER 93 -6.410 -10.959 0.982 656 HG SER 93 HG SER 93 -5.887 -11.908 2.813 657 H ALA 94 H ALA 94 -8.887 -8.429 1.841 658 HA ALA 94 HA ALA 94 -9.458 -8.015 4.646 659 HB1 ALA 94 3HB ALA 94 -10.065 -5.621 3.022 660 HB2 ALA 94 1HB ALA 94 -9.603 -5.758 4.719 661 HB3 ALA 94 2HB ALA 94 -8.375 -5.878 3.457 662 H TRP 95 H TRP 95 -11.675 -7.871 5.099 663 HA TRP 95 HA TRP 95 -13.399 -8.648 2.847 664 HB2 TRP 95 1HB TRP 95 -13.320 -10.335 4.571 665 HB3 TRP 95 2HB TRP 95 -13.676 -9.141 5.817 666 HD1 TRP 95 HD1 TRP 95 -16.203 -8.404 6.129 667 HE1 TRP 95 HE1 TRP 95 -18.424 -9.384 5.273 668 HE3 TRP 95 HE3 TRP 95 -14.372 -11.538 2.529 669 HZ2 TRP 95 HZ2 TRP 95 -19.285 -11.241 3.329 670 HZ3 TRP 95 HZ3 TRP 95 -15.961 -12.882 1.216 671 HH2 TRP 95 HH2 TRP 95 -18.367 -12.735 1.609 672 H VAL 96 H VAL 96 -14.455 -6.950 2.047 673 HA VAL 96 HA VAL 96 -15.418 -4.871 3.884 674 HB VAL 96 HB VAL 96 -15.093 -4.838 0.881 675 HG11 VAL 96 1HG1 VAL 96 -15.957 -2.561 2.655 676 HG12 VAL 96 2HG1 VAL 96 -15.850 -2.574 0.893 677 HG13 VAL 96 3HG1 VAL 96 -17.071 -3.549 1.711 678 HG21 VAL 96 3HG2 VAL 96 -13.712 -2.847 2.526 679 HG22 VAL 96 1HG2 VAL 96 -13.188 -4.508 2.807 680 HG23 VAL 96 2HG2 VAL 96 -13.114 -3.823 1.184 681 H THR 97 H THR 97 -17.545 -4.435 4.138 682 HA THR 97 HA THR 97 -19.453 -6.024 2.550 683 HB THR 97 HB THR 97 -19.819 -5.250 5.448 684 HG1 THR 97 HG1 THR 97 -19.583 -7.736 5.513 685 HG21 THR 97 3HG2 THR 97 -21.612 -6.181 3.455 686 HG22 THR 97 1HG2 THR 97 -21.927 -5.912 5.169 687 HG23 THR 97 2HG2 THR 97 -21.368 -7.489 4.612 688 H VAL 98 H VAL 98 -21.206 -4.990 1.739 689 HA VAL 98 HA VAL 98 -21.413 -2.104 2.295 690 HB VAL 98 HB VAL 98 -22.375 -3.555 -0.172 691 HG11 VAL 98 1HG1 VAL 98 -21.846 -0.708 -0.372 692 HG12 VAL 98 2HG1 VAL 98 -23.281 -1.627 -0.833 693 HG13 VAL 98 3HG1 VAL 98 -23.081 -1.078 0.831 694 HG21 VAL 98 3HG2 VAL 98 -20.398 -3.193 -1.214 695 HG22 VAL 98 1HG2 VAL 98 -20.080 -1.703 -0.324 696 HG23 VAL 98 2HG2 VAL 98 -19.775 -3.266 0.435 697 H HIS 99 H HIS 99 -22.996 -1.768 3.724 698 HA HIS 99 HA HIS 99 -25.138 -3.430 4.298 699 HB2 HIS 99 1HB HIS 99 -25.214 -0.421 4.546 700 HB3 HIS 99 2HB HIS 99 -26.082 -1.602 5.522 701 HD1 HIS 99 HD1 HIS 99 -24.263 -3.319 6.834 702 HD2 HIS 99 HD2 HIS 99 -23.038 0.521 5.823 703 HE1 HIS 99 HE1 HIS 99 -22.292 -2.829 8.317 704 HE2 HIS 99 HE2 HIS 99 -21.621 -0.469 7.747 Start of MODEL 7 1 H1 GLY 1 H GLY 1 33.365 -6.824 -5.832 2 HA2 GLY 1 1HA GLY 1 33.686 -4.530 -7.644 3 HA3 GLY 1 2HA GLY 1 32.163 -5.103 -6.980 4 H SER 2 H SER 2 32.127 -2.643 -6.643 5 HA SER 2 HA SER 2 32.909 -2.159 -3.867 6 HB2 SER 2 1HB SER 2 33.784 -0.557 -6.241 7 HB3 SER 2 2HB SER 2 33.483 0.269 -4.712 8 HG SER 2 HG SER 2 35.630 -0.352 -4.779 9 H SER 3 H SER 3 31.134 -1.613 -2.808 10 HA SER 3 HA SER 3 29.075 -0.045 -4.219 11 HB2 SER 3 1HB SER 3 27.375 -1.174 -2.931 12 HB3 SER 3 2HB SER 3 28.403 -2.398 -3.674 13 HG SER 3 HG SER 3 28.582 -3.112 -1.706 14 H GLY 4 H GLY 4 29.245 1.994 -3.531 15 HA2 GLY 4 1HA GLY 4 29.877 2.495 -0.705 16 HA3 GLY 4 2HA GLY 4 30.012 3.665 -2.009 17 H SER 5 H SER 5 28.149 2.624 0.573 18 HA SER 5 HA SER 5 26.093 4.565 -0.047 19 HB2 SER 5 1HB SER 5 25.402 1.647 0.373 20 HB3 SER 5 2HB SER 5 24.233 2.967 0.330 21 HG SER 5 HG SER 5 24.656 3.281 -1.801 22 H SER 6 H SER 6 24.749 5.075 1.786 23 HA SER 6 HA SER 6 26.206 4.867 4.264 24 HB2 SER 6 1HB SER 6 23.543 6.187 3.690 25 HB3 SER 6 2HB SER 6 24.508 6.396 5.150 26 HG SER 6 HG SER 6 25.679 7.802 4.131 27 H GLY 7 H GLY 7 22.997 3.870 3.095 28 HA2 GLY 7 1HA GLY 7 22.859 2.014 5.392 29 HA3 GLY 7 2HA GLY 7 21.448 2.782 4.679 30 H MET 8 H MET 8 20.334 1.000 4.038 31 HA MET 8 HA MET 8 21.218 -0.305 1.648 32 HB2 MET 8 1HB MET 8 21.206 -2.591 2.500 33 HB3 MET 8 2HB MET 8 22.437 -1.635 3.315 34 HG2 MET 8 1HG MET 8 21.130 -1.470 5.284 35 HG3 MET 8 2HG MET 8 19.710 -2.126 4.473 36 HE1 MET 8 3HE MET 8 20.529 -4.920 7.031 37 HE2 MET 8 1HE MET 8 20.144 -3.199 7.047 38 HE3 MET 8 2HE MET 8 19.175 -4.310 6.079 39 H GLU 9 H GLU 9 19.511 -0.959 0.456 40 HA GLU 9 HA GLU 9 16.954 -0.136 0.933 41 HB2 GLU 9 1HB GLU 9 17.880 -2.526 -0.664 42 HB3 GLU 9 2HB GLU 9 16.239 -1.898 -0.713 43 HG2 GLU 9 1HG GLU 9 17.097 -0.835 -2.520 44 HG3 GLU 9 2HG GLU 9 17.489 0.354 -1.278 45 H VAL 10 H VAL 10 14.967 -1.544 1.192 46 HA VAL 10 HA VAL 10 15.390 -3.699 3.143 47 HB VAL 10 HB VAL 10 13.302 -2.774 4.338 48 HG11 VAL 10 1HG1 VAL 10 15.397 -2.822 5.458 49 HG12 VAL 10 2HG1 VAL 10 16.009 -1.466 4.509 50 HG13 VAL 10 3HG1 VAL 10 14.726 -1.208 5.692 51 HG21 VAL 10 3HG2 VAL 10 12.734 -0.530 4.096 52 HG22 VAL 10 1HG2 VAL 10 14.245 -0.137 3.276 53 HG23 VAL 10 2HG2 VAL 10 12.998 -1.056 2.434 54 H ALA 11 H ALA 11 13.337 -4.947 3.533 55 HA ALA 11 HA ALA 11 12.108 -5.516 0.963 56 HB1 ALA 11 3HB ALA 11 12.717 -7.013 3.339 57 HB2 ALA 11 1HB ALA 11 11.022 -7.222 2.898 58 HB3 ALA 11 2HB ALA 11 12.291 -7.592 1.729 59 HA PRO 12 HA PRO 12 8.170 -3.719 1.680 60 HB2 PRO 12 1HB PRO 12 6.451 -5.622 0.790 61 HB3 PRO 12 2HB PRO 12 7.467 -4.663 -0.293 62 HG2 PRO 12 1HG PRO 12 7.890 -7.443 0.735 63 HG3 PRO 12 2HG PRO 12 8.134 -6.806 -0.902 64 HD2 PRO 12 1HD PRO 12 10.178 -7.190 0.833 65 HD3 PRO 12 2HD PRO 12 10.182 -5.888 -0.374 66 H SER 13 H SER 13 6.827 -3.445 3.363 67 HA SER 13 HA SER 13 5.931 -5.727 4.929 68 HB2 SER 13 1HB SER 13 7.418 -3.431 6.226 69 HB3 SER 13 2HB SER 13 6.709 -4.818 7.051 70 HG SER 13 HG SER 13 8.911 -4.780 5.273 71 H PHE 14 H PHE 14 3.980 -5.407 5.900 72 HA PHE 14 HA PHE 14 2.648 -2.872 5.290 73 HB2 PHE 14 1HB PHE 14 1.681 -5.661 5.823 74 HB3 PHE 14 2HB PHE 14 0.588 -4.297 6.034 75 HD1 PHE 14 HD2 PHE 14 0.761 -2.561 3.954 76 HD2 PHE 14 HD1 PHE 14 1.541 -6.743 3.818 77 HE1 PHE 14 HE2 PHE 14 0.287 -2.568 1.540 78 HE2 PHE 14 HE1 PHE 14 1.069 -6.756 1.404 79 HZ PHE 14 HZ PHE 14 0.439 -4.667 0.261 80 H SER 15 H SER 15 3.306 -1.539 6.946 81 HA SER 15 HA SER 15 3.519 -2.201 9.643 82 HB2 SER 15 1HB SER 15 2.709 0.507 8.566 83 HB3 SER 15 2HB SER 15 3.533 0.166 10.088 84 HG SER 15 HG SER 15 5.120 -0.887 8.443 85 H SER 16 H SER 16 0.750 -0.992 7.806 86 HA SER 16 HA SER 16 -0.982 -1.787 10.046 87 HB2 SER 16 1HB SER 16 -0.576 0.796 9.612 88 HB3 SER 16 2HB SER 16 -1.781 0.540 8.351 89 HG SER 16 HG SER 16 -2.517 1.138 10.575 90 H VAL 17 H VAL 17 -1.834 -3.614 9.216 91 HA VAL 17 HA VAL 17 -2.515 -3.937 6.467 92 HB VAL 17 HB VAL 17 -3.606 -6.035 7.191 93 HG11 VAL 17 1HG1 VAL 17 -1.551 -6.841 6.948 94 HG12 VAL 17 2HG1 VAL 17 -0.848 -5.316 7.490 95 HG13 VAL 17 3HG1 VAL 17 -1.271 -6.561 8.666 96 HG21 VAL 17 3HG2 VAL 17 -3.319 -4.750 9.829 97 HG22 VAL 17 1HG2 VAL 17 -4.531 -5.891 9.245 98 HG23 VAL 17 2HG2 VAL 17 -2.950 -6.473 9.769 99 H LEU 18 H LEU 18 -4.713 -4.480 5.709 100 HA LEU 18 HA LEU 18 -6.557 -2.424 6.467 101 HB2 LEU 18 1HB LEU 18 -6.973 -4.757 4.605 102 HB3 LEU 18 2HB LEU 18 -7.970 -3.307 4.708 103 HG LEU 18 HG LEU 18 -5.074 -3.076 3.999 104 HD11 LEU 18 1HD1 LEU 18 -6.448 -4.821 2.583 105 HD12 LEU 18 2HD1 LEU 18 -5.353 -3.673 1.814 106 HD13 LEU 18 3HD1 LEU 18 -7.088 -3.359 1.832 107 HD21 LEU 18 3HD2 LEU 18 -5.860 -1.110 2.807 108 HD22 LEU 18 1HD2 LEU 18 -6.385 -1.061 4.490 109 HD23 LEU 18 2HD2 LEU 18 -7.529 -1.503 3.222 110 H LYS 19 H LYS 19 -8.668 -2.691 7.282 111 HA LYS 19 HA LYS 19 -9.160 -5.252 8.652 112 HB2 LYS 19 1HB LYS 19 -10.185 -3.941 10.507 113 HB3 LYS 19 2HB LYS 19 -8.455 -3.677 10.331 114 HG2 LYS 19 1HG LYS 19 -10.332 -1.816 8.965 115 HG3 LYS 19 2HG LYS 19 -10.102 -1.675 10.709 116 HD2 LYS 19 1HD LYS 19 -7.796 -1.760 8.780 117 HD3 LYS 19 2HD LYS 19 -8.595 -0.253 9.233 118 HE2 LYS 19 1HE LYS 19 -7.454 -2.185 11.240 119 HE3 LYS 19 2HE LYS 19 -6.529 -0.849 10.555 120 HZ1 LYS 19 3HZ LYS 19 -8.402 0.615 11.371 121 HZ2 LYS 19 1HZ LYS 19 -7.400 -0.052 12.560 122 HZ3 LYS 19 2HZ LYS 19 -8.931 -0.712 12.276 123 H ASP 20 H ASP 20 -11.474 -5.551 9.264 124 HA ASP 20 HA ASP 20 -13.140 -5.393 7.043 125 HB2 ASP 20 1HB ASP 20 -14.980 -5.978 8.619 126 HB3 ASP 20 2HB ASP 20 -13.558 -7.003 8.796 127 H CYS 21 H CYS 21 -14.940 -4.113 6.540 128 HA CYS 21 HA CYS 21 -15.489 -1.741 8.111 129 HB2 CYS 21 1HB CYS 21 -14.126 -1.660 5.444 130 HB3 CYS 21 2HB CYS 21 -15.232 -0.368 5.892 131 HG CYS 21 HG CYS 21 -12.212 -1.145 7.230 132 H ALA 22 H ALA 22 -17.434 -0.681 7.509 133 HA ALA 22 HA ALA 22 -19.108 -2.179 5.603 134 HB1 ALA 22 3HB ALA 22 -19.988 -1.098 8.277 135 HB2 ALA 22 1HB ALA 22 -21.020 -1.900 7.093 136 HB3 ALA 22 2HB ALA 22 -19.723 -2.797 7.884 137 H VAL 23 H VAL 23 -20.546 -0.995 4.374 138 HA VAL 23 HA VAL 23 -20.779 1.874 4.813 139 HB VAL 23 HB VAL 23 -18.751 1.282 3.270 140 HG11 VAL 23 1HG1 VAL 23 -20.961 1.212 1.228 141 HG12 VAL 23 2HG1 VAL 23 -19.234 0.951 0.973 142 HG13 VAL 23 3HG1 VAL 23 -20.186 -0.241 1.859 143 HG21 VAL 23 3HG2 VAL 23 -19.441 3.540 3.652 144 HG22 VAL 23 1HG2 VAL 23 -19.229 3.326 1.914 145 HG23 VAL 23 2HG2 VAL 23 -20.850 3.342 2.609 146 H ILE 24 H ILE 24 -22.478 2.856 3.587 147 HA ILE 24 HA ILE 24 -24.602 0.965 2.952 148 HB ILE 24 HB ILE 24 -24.570 3.938 3.404 149 HG12 ILE 24 1HG1 ILE 24 -26.272 3.254 5.151 150 HG13 ILE 24 2HG1 ILE 24 -25.865 1.582 4.782 151 HG21 ILE 24 1HG2 ILE 24 -27.149 3.596 3.125 152 HG22 ILE 24 2HG2 ILE 24 -26.131 3.897 1.718 153 HG23 ILE 24 3HG2 ILE 24 -26.652 2.255 2.093 154 HD11 ILE 24 3HD1 ILE 24 -24.687 2.351 6.751 155 HD12 ILE 24 1HD1 ILE 24 -23.554 2.003 5.446 156 HD13 ILE 24 2HD1 ILE 24 -23.973 3.673 5.828 157 H GLU 25 H GLU 25 -25.760 0.977 1.004 158 HA GLU 25 HA GLU 25 -24.264 1.234 -1.333 159 HB2 GLU 25 1HB GLU 25 -26.390 -0.119 -0.959 160 HB3 GLU 25 2HB GLU 25 -27.274 1.376 -1.228 161 HG2 GLU 25 1HG GLU 25 -26.510 1.535 -3.461 162 HG3 GLU 25 2HG GLU 25 -25.323 0.255 -3.217 163 H GLY 26 H GLY 26 -23.695 2.926 -2.529 164 HA2 GLY 26 1HA GLY 26 -24.140 4.929 -3.722 165 HA3 GLY 26 2HA GLY 26 -25.414 5.300 -2.570 166 H GLN 27 H GLN 27 -22.892 4.270 -0.758 167 HA GLN 27 HA GLN 27 -22.067 7.024 -0.202 168 HB2 GLN 27 1HB GLN 27 -21.985 4.478 1.395 169 HB3 GLN 27 2HB GLN 27 -21.035 5.881 1.868 170 HG2 GLN 27 1HG GLN 27 -24.005 5.992 1.439 171 HG3 GLN 27 2HG GLN 27 -23.269 5.612 2.995 172 HE21 GLN 27 1HE2 GLN 27 -23.025 7.262 4.306 173 HE22 GLN 27 2HE2 GLN 27 -22.858 8.919 3.846 174 H ASP 28 H ASP 28 -19.752 7.312 0.489 175 HA ASP 28 HA ASP 28 -18.012 5.856 -1.384 176 HB2 ASP 28 1HB ASP 28 -17.854 8.100 -1.976 177 HB3 ASP 28 2HB ASP 28 -17.980 8.653 -0.308 178 H PHE 29 H PHE 29 -15.927 5.198 -0.716 179 HA PHE 29 HA PHE 29 -15.122 5.425 2.031 180 HB2 PHE 29 1HB PHE 29 -15.377 3.206 2.739 181 HB3 PHE 29 2HB PHE 29 -16.894 3.550 1.916 182 HD1 PHE 29 HD2 PHE 29 -13.621 1.876 1.570 183 HD2 PHE 29 HD1 PHE 29 -17.562 2.320 0.023 184 HE1 PHE 29 HE2 PHE 29 -13.265 -0.075 0.113 185 HE2 PHE 29 HE1 PHE 29 -17.212 0.369 -1.436 186 HZ PHE 29 HZ PHE 29 -15.062 -0.830 -1.392 187 H VAL 30 H VAL 30 -12.973 5.457 2.088 188 HA VAL 30 HA VAL 30 -11.500 4.194 -0.133 189 HB VAL 30 HB VAL 30 -11.331 6.625 -0.230 190 HG11 VAL 30 1HG1 VAL 30 -11.554 6.676 2.418 191 HG12 VAL 30 2HG1 VAL 30 -9.796 6.775 2.303 192 HG13 VAL 30 3HG1 VAL 30 -10.802 7.989 1.512 193 HG21 VAL 30 3HG2 VAL 30 -9.185 6.522 -0.864 194 HG22 VAL 30 1HG2 VAL 30 -8.635 6.082 0.753 195 HG23 VAL 30 2HG2 VAL 30 -9.253 4.840 -0.336 196 H LEU 31 H LEU 31 -10.416 2.459 0.500 197 HA LEU 31 HA LEU 31 -9.869 1.888 3.239 198 HB2 LEU 31 1HB LEU 31 -8.874 0.549 0.729 199 HB3 LEU 31 2HB LEU 31 -8.704 -0.093 2.361 200 HG LEU 31 HG LEU 31 -11.429 0.487 1.278 201 HD11 LEU 31 1HD1 LEU 31 -10.217 -0.830 -0.443 202 HD12 LEU 31 2HD1 LEU 31 -11.572 -1.691 0.287 203 HD13 LEU 31 3HD1 LEU 31 -9.920 -2.072 0.774 204 HD21 LEU 31 3HD2 LEU 31 -10.454 -0.478 3.673 205 HD22 LEU 31 1HD2 LEU 31 -10.966 -1.933 2.817 206 HD23 LEU 31 2HD2 LEU 31 -12.113 -0.620 3.088 207 H GLN 32 H GLN 32 -8.296 2.782 4.383 208 HA GLN 32 HA GLN 32 -5.847 3.642 3.004 209 HB2 GLN 32 1HB GLN 32 -7.147 5.362 4.263 210 HB3 GLN 32 2HB GLN 32 -6.838 4.458 5.740 211 HG2 GLN 32 1HG GLN 32 -4.386 4.742 5.271 212 HG3 GLN 32 2HG GLN 32 -4.842 5.861 3.989 213 HE21 GLN 32 1HE2 GLN 32 -5.060 7.920 4.510 214 HE22 GLN 32 2HE2 GLN 32 -5.224 8.547 6.111 215 H CYS 33 H CYS 33 -3.947 2.706 3.437 216 HA CYS 33 HA CYS 33 -3.615 1.157 5.890 217 HB2 CYS 33 1HB CYS 33 -2.693 -0.767 4.631 218 HB3 CYS 33 2HB CYS 33 -4.398 -0.495 4.294 219 HG CYS 33 HG CYS 33 -3.507 1.090 1.915 220 H SER 34 H SER 34 -1.363 0.582 6.311 221 HA SER 34 HA SER 34 0.456 2.585 5.161 222 HB2 SER 34 1HB SER 34 0.588 1.106 7.799 223 HB3 SER 34 2HB SER 34 1.805 2.245 7.224 224 HG SER 34 HG SER 34 0.551 3.841 7.775 225 H VAL 35 H VAL 35 2.079 1.944 3.912 226 HA VAL 35 HA VAL 35 3.133 -0.778 4.202 227 HB VAL 35 HB VAL 35 1.572 -0.963 2.373 228 HG11 VAL 35 1HG1 VAL 35 3.053 1.202 0.906 229 HG12 VAL 35 2HG1 VAL 35 1.509 0.453 0.494 230 HG13 VAL 35 3HG1 VAL 35 1.623 1.533 1.884 231 HG21 VAL 35 3HG2 VAL 35 3.304 -1.331 0.457 232 HG22 VAL 35 1HG2 VAL 35 4.485 -0.963 1.715 233 HG23 VAL 35 2HG2 VAL 35 3.379 -2.323 1.914 234 H ARG 36 H ARG 36 5.264 -0.719 4.413 235 HA ARG 36 HA ARG 36 6.728 1.563 3.259 236 HB2 ARG 36 1HB ARG 36 7.538 -0.114 5.640 237 HB3 ARG 36 2HB ARG 36 8.345 1.332 5.046 238 HG2 ARG 36 1HG ARG 36 6.435 2.688 5.651 239 HG3 ARG 36 2HG ARG 36 5.550 1.249 6.162 240 HD2 ARG 36 1HD ARG 36 6.573 2.549 8.031 241 HD3 ARG 36 2HD ARG 36 7.078 0.861 7.956 242 HE ARG 36 HE ARG 36 8.903 2.490 6.541 243 HH11 ARG 36 2HH1 ARG 36 7.904 1.682 9.776 244 HH12 ARG 36 1HH1 ARG 36 9.449 2.027 10.480 245 HH21 ARG 36 2HH2 ARG 36 10.942 2.948 7.455 246 HH22 ARG 36 1HH2 ARG 36 11.176 2.748 9.158 247 H GLY 37 H GLY 37 9.136 0.999 2.926 248 HA2 GLY 37 1HA GLY 37 10.367 -1.316 2.569 249 HA3 GLY 37 2HA GLY 37 9.195 -1.400 1.263 250 H THR 38 H THR 38 11.906 -1.490 0.758 251 HA THR 38 HA THR 38 12.204 0.877 -0.902 252 HB THR 38 HB THR 38 14.132 0.159 1.290 253 HG1 THR 38 HG1 THR 38 12.372 1.943 1.210 254 HG21 THR 38 3HG2 THR 38 15.523 0.212 -0.659 255 HG22 THR 38 1HG2 THR 38 15.734 1.742 0.190 256 HG23 THR 38 2HG2 THR 38 14.725 1.668 -1.254 257 HA PRO 39 HA PRO 39 13.027 1.553 -2.599 258 HB2 PRO 39 1HB PRO 39 12.195 1.106 -5.144 259 HB3 PRO 39 2HB PRO 39 13.896 1.322 -4.714 260 HG2 PRO 39 1HG PRO 39 12.372 -1.208 -5.204 261 HG3 PRO 39 2HG PRO 39 14.000 -0.759 -5.746 262 HD2 PRO 39 1HD PRO 39 13.567 -2.379 -3.620 263 HD3 PRO 39 2HD PRO 39 14.956 -1.276 -3.714 264 H VAL 40 H VAL 40 10.948 2.472 -3.613 265 HA VAL 40 HA VAL 40 8.749 1.725 -2.112 266 HB VAL 40 HB VAL 40 8.819 3.174 -4.760 267 HG11 VAL 40 1HG1 VAL 40 6.573 2.342 -3.057 268 HG12 VAL 40 2HG1 VAL 40 6.558 4.038 -3.543 269 HG13 VAL 40 3HG1 VAL 40 6.605 2.769 -4.767 270 HG21 VAL 40 3HG2 VAL 40 8.214 5.044 -2.939 271 HG22 VAL 40 1HG2 VAL 40 9.172 3.957 -1.932 272 HG23 VAL 40 2HG2 VAL 40 9.871 4.647 -3.396 273 HA PRO 41 HA PRO 41 7.606 -2.052 -4.209 274 HB2 PRO 41 1HB PRO 41 5.519 -2.632 -2.571 275 HB3 PRO 41 2HB PRO 41 7.204 -2.916 -2.118 276 HG2 PRO 41 1HG PRO 41 5.401 -0.643 -1.381 277 HG3 PRO 41 2HG PRO 41 6.537 -1.546 -0.362 278 HD2 PRO 41 1HD PRO 41 7.124 0.888 -1.393 279 HD3 PRO 41 2HD PRO 41 8.360 -0.358 -1.121 280 H ARG 42 H ARG 42 5.996 -2.674 -5.630 281 HA ARG 42 HA ARG 42 4.376 -0.590 -6.710 282 HB2 ARG 42 1HB ARG 42 4.769 -3.499 -7.325 283 HB3 ARG 42 2HB ARG 42 3.444 -2.616 -8.072 284 HG2 ARG 42 1HG ARG 42 5.080 -2.388 -9.656 285 HG3 ARG 42 2HG ARG 42 5.321 -0.917 -8.711 286 HD2 ARG 42 1HD ARG 42 7.073 -2.106 -7.412 287 HD3 ARG 42 2HD ARG 42 6.880 -3.488 -8.490 288 HE ARG 42 HE ARG 42 7.383 -1.240 -10.061 289 HH11 ARG 42 2HH1 ARG 42 9.000 -3.201 -7.682 290 HH12 ARG 42 1HH1 ARG 42 10.583 -2.897 -8.316 291 HH21 ARG 42 2HH2 ARG 42 9.462 -0.832 -10.906 292 HH22 ARG 42 1HH2 ARG 42 10.845 -1.548 -10.150 293 H ILE 43 H ILE 43 2.250 -0.174 -6.462 294 HA ILE 43 HA ILE 43 0.820 -1.738 -4.436 295 HB ILE 43 HB ILE 43 -0.017 0.928 -5.563 296 HG12 ILE 43 1HG1 ILE 43 2.140 1.331 -4.632 297 HG13 ILE 43 2HG1 ILE 43 0.974 1.851 -3.420 298 HG21 ILE 43 1HG2 ILE 43 -1.345 1.091 -3.545 299 HG22 ILE 43 2HG2 ILE 43 -1.732 -0.400 -4.402 300 HG23 ILE 43 3HG2 ILE 43 -0.704 -0.448 -2.970 301 HD11 ILE 43 3HD1 ILE 43 2.869 -0.423 -3.384 302 HD12 ILE 43 1HD1 ILE 43 2.414 0.698 -2.102 303 HD13 ILE 43 2HD1 ILE 43 1.327 -0.617 -2.551 304 H THR 44 H THR 44 -0.420 -3.299 -5.233 305 HA THR 44 HA THR 44 -2.103 -2.686 -7.570 306 HB THR 44 HB THR 44 -0.711 -5.312 -7.009 307 HG1 THR 44 HG1 THR 44 0.384 -3.378 -8.081 308 HG21 THR 44 3HG2 THR 44 -1.888 -5.231 -9.586 309 HG22 THR 44 1HG2 THR 44 -3.129 -4.769 -8.422 310 HG23 THR 44 2HG2 THR 44 -2.278 -6.304 -8.242 311 H TRP 45 H TRP 45 -4.161 -2.689 -6.973 312 HA TRP 45 HA TRP 45 -5.004 -4.208 -4.637 313 HB2 TRP 45 1HB TRP 45 -6.463 -2.200 -6.365 314 HB3 TRP 45 2HB TRP 45 -7.165 -2.995 -4.959 315 HD1 TRP 45 HD1 TRP 45 -4.307 -0.546 -5.840 316 HE1 TRP 45 HE1 TRP 45 -3.847 0.921 -3.776 317 HE3 TRP 45 HE3 TRP 45 -7.471 -2.804 -2.519 318 HZ2 TRP 45 HZ2 TRP 45 -4.710 1.097 -1.094 319 HZ3 TRP 45 HZ3 TRP 45 -7.594 -1.925 -0.224 320 HH2 TRP 45 HH2 TRP 45 -6.241 -0.016 0.472 321 H LEU 46 H LEU 46 -6.174 -6.030 -4.696 322 HA LEU 46 HA LEU 46 -7.276 -6.881 -7.292 323 HB2 LEU 46 1HB LEU 46 -5.842 -8.517 -5.213 324 HB3 LEU 46 2HB LEU 46 -6.784 -9.226 -6.522 325 HG LEU 46 HG LEU 46 -4.554 -7.342 -7.162 326 HD11 LEU 46 1HD1 LEU 46 -3.839 -10.180 -7.142 327 HD12 LEU 46 2HD1 LEU 46 -4.061 -9.474 -5.542 328 HD13 LEU 46 3HD1 LEU 46 -2.900 -8.765 -6.664 329 HD21 LEU 46 3HD2 LEU 46 -5.486 -7.871 -9.145 330 HD22 LEU 46 1HD2 LEU 46 -6.211 -9.357 -8.532 331 HD23 LEU 46 2HD2 LEU 46 -4.506 -9.329 -8.982 332 H LEU 47 H LEU 47 -9.394 -7.205 -7.262 333 HA LEU 47 HA LEU 47 -10.675 -7.923 -4.708 334 HB2 LEU 47 1HB LEU 47 -11.261 -5.667 -5.144 335 HB3 LEU 47 2HB LEU 47 -11.592 -6.012 -6.840 336 HG LEU 47 HG LEU 47 -13.523 -7.443 -6.028 337 HD11 LEU 47 1HD1 LEU 47 -13.525 -5.860 -3.525 338 HD12 LEU 47 2HD1 LEU 47 -12.452 -7.257 -3.602 339 HD13 LEU 47 3HD1 LEU 47 -14.185 -7.461 -3.858 340 HD21 LEU 47 3HD2 LEU 47 -14.695 -5.677 -6.679 341 HD22 LEU 47 1HD2 LEU 47 -13.282 -4.651 -6.433 342 HD23 LEU 47 2HD2 LEU 47 -14.428 -4.904 -5.116 343 H ASN 48 H ASN 48 -12.151 -9.545 -4.739 344 HA ASN 48 HA ASN 48 -13.192 -11.434 -5.468 345 HB2 ASN 48 1HB ASN 48 -13.803 -9.398 -7.562 346 HB3 ASN 48 2HB ASN 48 -14.236 -11.074 -7.886 347 HD21 ASN 48 1HD2 ASN 48 -15.633 -8.407 -7.085 348 HD22 ASN 48 2HD2 ASN 48 -16.785 -8.930 -5.908 349 H GLY 49 H GLY 49 -10.316 -11.028 -6.097 350 HA2 GLY 49 1HA GLY 49 -8.720 -12.420 -7.029 351 HA3 GLY 49 2HA GLY 49 -10.014 -13.331 -7.793 352 H GLN 50 H GLN 50 -10.117 -9.965 -8.333 353 HA GLN 50 HA GLN 50 -8.648 -10.206 -10.858 354 HB2 GLN 50 1HB GLN 50 -10.401 -9.573 -12.203 355 HB3 GLN 50 2HB GLN 50 -11.260 -10.515 -10.991 356 HG2 GLN 50 1HG GLN 50 -11.524 -8.221 -9.793 357 HG3 GLN 50 2HG GLN 50 -11.185 -7.563 -11.393 358 HE21 GLN 50 1HE2 GLN 50 -13.166 -10.128 -9.939 359 HE22 GLN 50 2HE2 GLN 50 -14.590 -9.779 -10.853 360 HA PRO 51 HA PRO 51 -7.020 -6.294 -9.662 361 HB2 PRO 51 1HB PRO 51 -6.118 -5.459 -12.083 362 HB3 PRO 51 2HB PRO 51 -5.316 -6.723 -11.143 363 HG2 PRO 51 1HG PRO 51 -7.209 -6.988 -13.447 364 HG3 PRO 51 2HG PRO 51 -5.710 -7.877 -13.123 365 HD2 PRO 51 1HD PRO 51 -8.158 -8.911 -12.605 366 HD3 PRO 51 2HD PRO 51 -6.730 -9.301 -11.624 367 H ILE 52 H ILE 52 -7.624 -4.168 -9.586 368 HA ILE 52 HA ILE 52 -10.078 -3.472 -11.022 369 HB ILE 52 HB ILE 52 -8.831 -1.797 -8.866 370 HG12 ILE 52 1HG1 ILE 52 -10.719 -4.121 -8.430 371 HG13 ILE 52 2HG1 ILE 52 -9.002 -4.138 -8.044 372 HG21 ILE 52 1HG2 ILE 52 -10.602 -0.681 -9.913 373 HG22 ILE 52 2HG2 ILE 52 -11.581 -2.143 -10.013 374 HG23 ILE 52 3HG2 ILE 52 -11.318 -1.365 -8.453 375 HD11 ILE 52 3HD1 ILE 52 -9.776 -1.944 -6.693 376 HD12 ILE 52 1HD1 ILE 52 -11.251 -2.907 -6.616 377 HD13 ILE 52 2HD1 ILE 52 -9.734 -3.567 -6.005 378 H GLN 53 H GLN 53 -9.604 -2.654 -12.980 379 HA GLN 53 HA GLN 53 -7.295 -1.061 -13.503 380 HB2 GLN 53 1HB GLN 53 -9.786 -1.505 -15.157 381 HB3 GLN 53 2HB GLN 53 -8.318 -0.725 -15.732 382 HG2 GLN 53 1HG GLN 53 -7.079 -2.812 -15.301 383 HG3 GLN 53 2HG GLN 53 -8.592 -3.581 -14.824 384 HE21 GLN 53 1HE2 GLN 53 -7.333 -1.622 -17.506 385 HE22 GLN 53 2HE2 GLN 53 -8.044 -2.575 -18.760 386 H TYR 54 H TYR 54 -10.647 -0.392 -12.739 387 HA TYR 54 HA TYR 54 -10.259 2.469 -13.173 388 HB2 TYR 54 1HB TYR 54 -12.682 2.634 -12.663 389 HB3 TYR 54 2HB TYR 54 -12.341 1.536 -13.996 390 HD1 TYR 54 HD2 TYR 54 -12.518 -0.912 -13.657 391 HD2 TYR 54 HD1 TYR 54 -13.675 1.851 -10.636 392 HE1 TYR 54 HE2 TYR 54 -13.773 -2.694 -12.516 393 HE2 TYR 54 HE1 TYR 54 -14.933 0.077 -9.486 394 HH TYR 54 HH TYR 54 -15.838 -2.020 -9.773 395 H ALA 55 H ALA 55 -8.770 1.212 -11.080 396 HA ALA 55 HA ALA 55 -10.080 2.114 -8.624 397 HB1 ALA 55 3HB ALA 55 -9.138 0.226 -7.894 398 HB2 ALA 55 1HB ALA 55 -8.044 0.135 -9.275 399 HB3 ALA 55 2HB ALA 55 -7.624 1.132 -7.881 400 H ARG 56 H ARG 56 -9.811 4.180 -8.103 401 HA ARG 56 HA ARG 56 -7.494 5.658 -9.032 402 HB2 ARG 56 1HB ARG 56 -9.967 6.474 -7.505 403 HB3 ARG 56 2HB ARG 56 -8.664 7.588 -7.897 404 HG2 ARG 56 1HG ARG 56 -9.125 7.535 -10.167 405 HG3 ARG 56 2HG ARG 56 -10.005 6.009 -10.051 406 HD2 ARG 56 1HD ARG 56 -11.571 7.470 -8.486 407 HD3 ARG 56 2HD ARG 56 -10.902 8.778 -9.461 408 HE ARG 56 HE ARG 56 -12.072 7.991 -11.286 409 HH11 ARG 56 2HH1 ARG 56 -12.246 5.698 -8.673 410 HH12 ARG 56 1HH1 ARG 56 -13.481 4.741 -9.421 411 HH21 ARG 56 2HH2 ARG 56 -13.698 6.739 -12.282 412 HH22 ARG 56 1HH2 ARG 56 -14.306 5.334 -11.475 413 H SER 57 H SER 57 -6.203 4.072 -7.602 414 HA SER 57 HA SER 57 -6.205 4.662 -4.777 415 HB2 SER 57 1HB SER 57 -4.479 3.007 -4.595 416 HB3 SER 57 2HB SER 57 -5.660 2.396 -5.753 417 HG SER 57 HG SER 57 -4.104 3.571 -7.309 418 H THR 58 H THR 58 -4.404 5.529 -3.618 419 HA THR 58 HA THR 58 -2.431 7.029 -5.160 420 HB THR 58 HB THR 58 -2.849 9.083 -3.793 421 HG1 THR 58 HG1 THR 58 -4.990 7.478 -2.908 422 HG21 THR 58 3HG2 THR 58 -5.075 9.627 -5.006 423 HG22 THR 58 1HG2 THR 58 -4.882 8.031 -5.730 424 HG23 THR 58 2HG2 THR 58 -3.646 9.266 -5.972 425 H CYS 59 H CYS 59 -0.506 6.649 -4.301 426 HA CYS 59 HA CYS 59 -0.340 5.824 -1.493 427 HB2 CYS 59 1HB CYS 59 1.922 4.994 -2.103 428 HB3 CYS 59 2HB CYS 59 0.640 4.254 -3.053 429 HG CYS 59 HG CYS 59 1.638 4.825 -5.342 430 H GLU 60 H GLU 60 0.251 7.289 -0.049 431 HA GLU 60 HA GLU 60 2.153 9.384 -0.862 432 HB2 GLU 60 1HB GLU 60 -0.456 9.636 0.570 433 HB3 GLU 60 2HB GLU 60 0.847 10.737 0.994 434 HG2 GLU 60 1HG GLU 60 0.864 11.732 -1.093 435 HG3 GLU 60 2HG GLU 60 0.063 10.364 -1.863 436 H ALA 61 H ALA 61 3.875 9.623 0.422 437 HA ALA 61 HA ALA 61 5.418 9.020 2.008 438 HB1 ALA 61 3HB ALA 61 4.995 10.266 3.804 439 HB2 ALA 61 1HB ALA 61 3.405 10.572 3.103 440 HB3 ALA 61 2HB ALA 61 3.620 9.264 4.268 441 H GLY 62 H GLY 62 4.317 6.745 0.901 442 HA2 GLY 62 1HA GLY 62 4.288 4.478 1.290 443 HA3 GLY 62 2HA GLY 62 4.877 4.818 2.911 444 H VAL 63 H VAL 63 1.881 6.046 1.530 445 HA VAL 63 HA VAL 63 0.382 4.311 3.381 446 HB VAL 63 HB VAL 63 -0.176 7.219 2.781 447 HG11 VAL 63 1HG1 VAL 63 -2.288 6.801 3.323 448 HG12 VAL 63 2HG1 VAL 63 -1.912 5.107 3.643 449 HG13 VAL 63 3HG1 VAL 63 -1.744 6.307 4.925 450 HG21 VAL 63 3HG2 VAL 63 1.591 7.148 4.330 451 HG22 VAL 63 1HG2 VAL 63 0.139 7.379 5.305 452 HG23 VAL 63 2HG2 VAL 63 0.886 5.785 5.199 453 H ALA 64 H ALA 64 -0.088 2.877 1.674 454 HA ALA 64 HA ALA 64 -1.232 3.670 -0.786 455 HB1 ALA 64 3HB ALA 64 -0.381 1.267 0.390 456 HB2 ALA 64 1HB ALA 64 -2.075 1.033 -0.043 457 HB3 ALA 64 2HB ALA 64 -0.910 1.529 -1.272 458 H GLU 65 H GLU 65 -3.276 4.107 -1.368 459 HA GLU 65 HA GLU 65 -5.465 3.418 0.450 460 HB2 GLU 65 1HB GLU 65 -5.231 6.180 -0.736 461 HB3 GLU 65 2HB GLU 65 -6.372 5.619 0.478 462 HG2 GLU 65 1HG GLU 65 -4.445 5.274 2.022 463 HG3 GLU 65 2HG GLU 65 -3.415 6.045 0.817 464 H LEU 66 H LEU 66 -7.516 3.294 -0.540 465 HA LEU 66 HA LEU 66 -7.500 3.408 -3.481 466 HB2 LEU 66 1HB LEU 66 -7.292 1.081 -2.642 467 HB3 LEU 66 2HB LEU 66 -8.833 1.282 -1.811 468 HG LEU 66 HG LEU 66 -9.822 1.741 -4.122 469 HD11 LEU 66 1HD1 LEU 66 -8.070 2.104 -5.561 470 HD12 LEU 66 2HD1 LEU 66 -8.412 0.401 -5.865 471 HD13 LEU 66 3HD1 LEU 66 -7.062 0.857 -4.825 472 HD21 LEU 66 3HD2 LEU 66 -9.136 -0.722 -2.783 473 HD22 LEU 66 1HD2 LEU 66 -9.245 -0.953 -4.528 474 HD23 LEU 66 2HD2 LEU 66 -10.613 -0.280 -3.640 475 H HIS 67 H HIS 67 -8.656 5.284 -3.656 476 HA HIS 67 HA HIS 67 -10.973 5.859 -2.105 477 HB2 HIS 67 1HB HIS 67 -9.900 7.063 -4.660 478 HB3 HIS 67 2HB HIS 67 -11.317 7.682 -3.817 479 HD1 HIS 67 HD1 HIS 67 -10.926 9.031 -1.678 480 HD2 HIS 67 HD2 HIS 67 -7.435 7.544 -3.369 481 HE1 HIS 67 HE1 HIS 67 -9.049 10.200 -0.481 482 HE2 HIS 67 HE2 HIS 67 -6.948 9.347 -1.579 483 H ILE 68 H ILE 68 -12.751 4.655 -2.254 484 HA ILE 68 HA ILE 68 -13.660 3.830 -4.934 485 HB ILE 68 HB ILE 68 -14.161 2.533 -2.255 486 HG12 ILE 68 1HG1 ILE 68 -11.978 2.020 -3.216 487 HG13 ILE 68 2HG1 ILE 68 -13.021 0.605 -3.296 488 HG21 ILE 68 1HG2 ILE 68 -16.196 2.436 -3.548 489 HG22 ILE 68 2HG2 ILE 68 -15.309 1.861 -4.959 490 HG23 ILE 68 3HG2 ILE 68 -15.440 0.843 -3.525 491 HD11 ILE 68 3HD1 ILE 68 -13.518 1.243 -5.672 492 HD12 ILE 68 1HD1 ILE 68 -12.234 2.444 -5.534 493 HD13 ILE 68 2HD1 ILE 68 -11.862 0.730 -5.347 494 H GLN 69 H GLN 69 -15.402 4.832 -5.673 495 HA GLN 69 HA GLN 69 -17.254 6.049 -3.733 496 HB2 GLN 69 1HB GLN 69 -17.806 7.695 -5.430 497 HB3 GLN 69 2HB GLN 69 -16.068 7.674 -5.160 498 HG2 GLN 69 1HG GLN 69 -15.887 6.176 -7.172 499 HG3 GLN 69 2HG GLN 69 -17.586 6.526 -7.483 500 HE21 GLN 69 1HE2 GLN 69 -14.435 8.046 -7.030 501 HE22 GLN 69 2HE2 GLN 69 -14.743 9.406 -8.049 502 H ASP 70 H ASP 70 -19.525 6.160 -4.404 503 HA ASP 70 HA ASP 70 -21.469 5.151 -5.019 504 HB2 ASP 70 1HB ASP 70 -19.709 4.741 -7.397 505 HB3 ASP 70 2HB ASP 70 -21.255 3.899 -7.342 506 H ALA 71 H ALA 71 -20.069 3.752 -3.154 507 HA ALA 71 HA ALA 71 -19.328 1.156 -3.588 508 HB1 ALA 71 3HB ALA 71 -19.433 2.516 -1.398 509 HB2 ALA 71 1HB ALA 71 -21.049 1.828 -1.232 510 HB3 ALA 71 2HB ALA 71 -19.643 0.767 -1.320 511 H LEU 72 H LEU 72 -20.435 -0.017 -5.092 512 HA LEU 72 HA LEU 72 -23.325 -0.304 -4.854 513 HB2 LEU 72 1HB LEU 72 -21.294 -1.124 -6.899 514 HB3 LEU 72 2HB LEU 72 -22.918 -1.810 -6.911 515 HG LEU 72 HG LEU 72 -22.457 1.157 -7.002 516 HD11 LEU 72 1HD1 LEU 72 -22.744 0.955 -9.467 517 HD12 LEU 72 2HD1 LEU 72 -22.524 -0.787 -9.301 518 HD13 LEU 72 3HD1 LEU 72 -21.217 0.313 -8.863 519 HD21 LEU 72 3HD2 LEU 72 -24.672 1.254 -7.822 520 HD22 LEU 72 1HD2 LEU 72 -24.708 0.151 -6.446 521 HD23 LEU 72 2HD2 LEU 72 -24.729 -0.489 -8.090 522 HA PRO 73 HA PRO 73 -23.307 -4.183 -2.801 523 HB2 PRO 73 1HB PRO 73 -25.423 -5.423 -3.964 524 HB3 PRO 73 2HB PRO 73 -25.602 -4.081 -2.828 525 HG2 PRO 73 1HG PRO 73 -25.696 -4.054 -5.820 526 HG3 PRO 73 2HG PRO 73 -26.742 -3.215 -4.660 527 HD2 PRO 73 1HD PRO 73 -24.713 -1.975 -5.954 528 HD3 PRO 73 2HD PRO 73 -25.213 -1.526 -4.311 529 H GLU 74 H GLU 74 -22.500 -3.901 -6.032 530 HA GLU 74 HA GLU 74 -22.001 -6.784 -6.326 531 HB2 GLU 74 1HB GLU 74 -21.891 -6.441 -8.692 532 HB3 GLU 74 2HB GLU 74 -23.337 -5.631 -8.104 533 HG2 GLU 74 1HG GLU 74 -22.334 -3.497 -8.304 534 HG3 GLU 74 2HG GLU 74 -20.739 -4.198 -8.570 535 H ASP 75 H ASP 75 -20.477 -4.080 -5.305 536 HA ASP 75 HA ASP 75 -17.888 -4.732 -6.511 537 HB2 ASP 75 1HB ASP 75 -18.983 -2.343 -5.074 538 HB3 ASP 75 2HB ASP 75 -17.242 -2.608 -5.106 539 H HIS 76 H HIS 76 -19.669 -5.019 -3.575 540 HA HIS 76 HA HIS 76 -17.589 -5.212 -1.710 541 HB2 HIS 76 1HB HIS 76 -19.180 -5.973 -0.217 542 HB3 HIS 76 2HB HIS 76 -20.199 -5.170 -1.408 543 HD1 HIS 76 HD1 HIS 76 -21.041 -6.980 -3.387 544 HD2 HIS 76 HD2 HIS 76 -20.070 -8.446 0.377 545 HE1 HIS 76 HE1 HIS 76 -22.160 -9.226 -3.232 546 HE2 HIS 76 HE2 HIS 76 -21.629 -10.057 -0.914 547 H GLY 77 H GLY 77 -16.102 -6.725 -1.302 548 HA2 GLY 77 1HA GLY 77 -16.508 -9.503 -1.811 549 HA3 GLY 77 2HA GLY 77 -15.476 -8.777 -3.034 550 H THR 78 H THR 78 -13.417 -9.193 -2.641 551 HA THR 78 HA THR 78 -12.424 -8.883 0.109 552 HB THR 78 HB THR 78 -11.773 -11.157 -1.771 553 HG1 THR 78 HG1 THR 78 -13.669 -11.083 -0.168 554 HG21 THR 78 3HG2 THR 78 -10.452 -11.746 0.517 555 HG22 THR 78 1HG2 THR 78 -10.254 -9.995 0.471 556 HG23 THR 78 2HG2 THR 78 -9.702 -10.980 -0.883 557 H TYR 79 H TYR 79 -11.356 -6.988 -0.185 558 HA TYR 79 HA TYR 79 -9.767 -6.468 -2.520 559 HB2 TYR 79 1HB TYR 79 -10.202 -4.994 0.071 560 HB3 TYR 79 2HB TYR 79 -9.042 -4.439 -1.131 561 HD1 TYR 79 HD2 TYR 79 -12.634 -5.170 -0.579 562 HD2 TYR 79 HD1 TYR 79 -9.748 -3.225 -3.026 563 HE1 TYR 79 HE2 TYR 79 -14.441 -4.010 -1.778 564 HE2 TYR 79 HE1 TYR 79 -11.547 -2.059 -4.231 565 HH TYR 79 HH TYR 79 -13.893 -2.261 -4.682 566 H THR 80 H THR 80 -7.596 -6.604 -2.770 567 HA THR 80 HA THR 80 -5.959 -7.381 -0.464 568 HB THR 80 HB THR 80 -6.097 -8.868 -3.088 569 HG1 THR 80 HG1 THR 80 -6.170 -9.952 -0.473 570 HG21 THR 80 3HG2 THR 80 -4.043 -9.124 -0.888 571 HG22 THR 80 1HG2 THR 80 -3.749 -8.509 -2.514 572 HG23 THR 80 2HG2 THR 80 -4.198 -10.199 -2.277 573 H CYS 81 H CYS 81 -4.398 -5.920 -0.311 574 HA CYS 81 HA CYS 81 -3.458 -4.545 -2.711 575 HB2 CYS 81 1HB CYS 81 -4.081 -3.126 -0.841 576 HB3 CYS 81 2HB CYS 81 -2.982 -3.994 0.224 577 HG CYS 81 HG CYS 81 -1.996 -2.106 -2.456 578 H LEU 82 H LEU 82 -1.923 -5.666 -3.749 579 HA LEU 82 HA LEU 82 0.045 -7.211 -2.287 580 HB2 LEU 82 1HB LEU 82 -0.804 -8.216 -4.266 581 HB3 LEU 82 2HB LEU 82 -0.475 -6.768 -5.216 582 HG LEU 82 HG LEU 82 1.953 -7.187 -4.925 583 HD11 LEU 82 1HD1 LEU 82 1.170 -9.889 -3.870 584 HD12 LEU 82 2HD1 LEU 82 1.615 -8.548 -2.815 585 HD13 LEU 82 3HD1 LEU 82 2.780 -9.177 -3.980 586 HD21 LEU 82 3HD2 LEU 82 1.560 -9.636 -6.161 587 HD22 LEU 82 1HD2 LEU 82 1.612 -8.056 -6.945 588 HD23 LEU 82 2HD2 LEU 82 0.064 -8.751 -6.465 589 H ALA 83 H ALA 83 1.979 -6.492 -1.697 590 HA ALA 83 HA ALA 83 3.129 -4.188 -3.125 591 HB1 ALA 83 3HB ALA 83 3.522 -3.001 -1.231 592 HB2 ALA 83 1HB ALA 83 2.090 -3.879 -0.692 593 HB3 ALA 83 2HB ALA 83 3.696 -4.442 -0.229 594 H GLU 84 H GLU 84 4.705 -5.204 -4.251 595 HA GLU 84 HA GLU 84 6.730 -6.645 -2.679 596 HB2 GLU 84 1HB GLU 84 6.996 -8.306 -4.351 597 HB3 GLU 84 2HB GLU 84 5.267 -8.180 -4.060 598 HG2 GLU 84 1HG GLU 84 5.012 -6.823 -6.061 599 HG3 GLU 84 2HG GLU 84 6.750 -6.900 -6.346 600 H ASN 85 H ASN 85 8.877 -6.436 -3.392 601 HA ASN 85 HA ASN 85 9.345 -4.427 -5.487 602 HB2 ASN 85 1HB ASN 85 11.042 -3.342 -4.125 603 HB3 ASN 85 2HB ASN 85 9.509 -3.352 -3.259 604 HD21 ASN 85 1HD2 ASN 85 11.180 -2.905 -1.525 605 HD22 ASN 85 2HD2 ASN 85 11.792 -4.281 -0.679 606 H ALA 86 H ALA 86 12.003 -4.317 -5.597 607 HA ALA 86 HA ALA 86 12.723 -6.763 -6.829 608 HB1 ALA 86 3HB ALA 86 14.774 -5.730 -7.370 609 HB2 ALA 86 1HB ALA 86 13.564 -4.448 -7.414 610 HB3 ALA 86 2HB ALA 86 14.645 -4.594 -6.028 611 H LEU 87 H LEU 87 12.513 -6.043 -3.627 612 HA LEU 87 HA LEU 87 14.773 -7.765 -2.874 613 HB2 LEU 87 1HB LEU 87 13.279 -5.594 -1.498 614 HB3 LEU 87 2HB LEU 87 13.975 -6.880 -0.514 615 HG LEU 87 HG LEU 87 16.146 -6.251 -1.912 616 HD11 LEU 87 1HD1 LEU 87 14.356 -3.866 -2.103 617 HD12 LEU 87 2HD1 LEU 87 15.425 -4.567 -3.318 618 HD13 LEU 87 3HD1 LEU 87 16.103 -3.659 -1.966 619 HD21 LEU 87 3HD2 LEU 87 16.053 -6.238 0.487 620 HD22 LEU 87 1HD2 LEU 87 15.072 -4.772 0.486 621 HD23 LEU 87 2HD2 LEU 87 16.750 -4.711 -0.057 622 H GLY 88 H GLY 88 11.658 -7.124 -1.285 623 HA2 GLY 88 1HA GLY 88 11.240 -10.049 -1.184 624 HA3 GLY 88 2HA GLY 88 10.779 -8.957 0.113 625 H GLN 89 H GLN 89 8.677 -10.045 -0.158 626 HA GLN 89 HA GLN 89 6.948 -8.435 -1.797 627 HB2 GLN 89 1HB GLN 89 6.027 -10.137 -3.168 628 HB3 GLN 89 2HB GLN 89 7.773 -10.270 -3.331 629 HG2 GLN 89 1HG GLN 89 7.818 -12.155 -1.837 630 HG3 GLN 89 2HG GLN 89 6.095 -11.980 -1.511 631 HE21 GLN 89 1HE2 GLN 89 4.941 -11.691 -3.864 632 HE22 GLN 89 2HE2 GLN 89 5.244 -13.040 -4.899 633 H VAL 90 H VAL 90 5.034 -8.173 -0.819 634 HA VAL 90 HA VAL 90 4.070 -10.214 1.042 635 HB VAL 90 HB VAL 90 3.645 -8.636 2.815 636 HG11 VAL 90 1HG1 VAL 90 5.822 -9.721 2.820 637 HG12 VAL 90 2HG1 VAL 90 6.491 -8.418 1.836 638 HG13 VAL 90 3HG1 VAL 90 5.942 -8.090 3.480 639 HG21 VAL 90 3HG2 VAL 90 4.168 -6.693 0.725 640 HG22 VAL 90 1HG2 VAL 90 3.303 -6.507 2.251 641 HG23 VAL 90 2HG2 VAL 90 5.058 -6.334 2.205 642 H SER 91 H SER 91 1.837 -10.187 1.393 643 HA SER 91 HA SER 91 0.259 -8.206 -0.072 644 HB2 SER 91 1HB SER 91 -1.094 -9.926 -1.155 645 HB3 SER 91 2HB SER 91 0.600 -10.119 -1.609 646 HG SER 91 HG SER 91 -0.121 -11.519 0.639 647 H CYS 92 H CYS 92 -1.753 -7.807 0.783 648 HA CYS 92 HA CYS 92 -2.542 -9.380 3.139 649 HB2 CYS 92 1HB CYS 92 -1.692 -7.520 4.225 650 HB3 CYS 92 2HB CYS 92 -2.124 -6.427 2.916 651 HG CYS 92 HG CYS 92 -4.929 -6.662 3.545 652 H SER 93 H SER 93 -4.776 -9.440 3.586 653 HA SER 93 HA SER 93 -6.484 -8.538 1.360 654 HB2 SER 93 1HB SER 93 -7.886 -10.534 1.757 655 HB3 SER 93 2HB SER 93 -6.234 -10.973 1.323 656 HG SER 93 HG SER 93 -6.811 -10.683 4.032 657 H ALA 94 H ALA 94 -8.741 -8.143 1.926 658 HA ALA 94 HA ALA 94 -9.264 -7.634 4.756 659 HB1 ALA 94 3HB ALA 94 -8.541 -5.582 2.947 660 HB2 ALA 94 1HB ALA 94 -10.255 -5.390 3.314 661 HB3 ALA 94 2HB ALA 94 -9.072 -5.429 4.622 662 H TRP 95 H TRP 95 -11.502 -7.367 5.258 663 HA TRP 95 HA TRP 95 -13.284 -8.429 3.165 664 HB2 TRP 95 1HB TRP 95 -12.930 -9.972 5.064 665 HB3 TRP 95 2HB TRP 95 -13.532 -8.736 6.165 666 HD1 TRP 95 HD1 TRP 95 -16.159 -8.320 6.231 667 HE1 TRP 95 HE1 TRP 95 -18.155 -9.696 5.368 668 HE3 TRP 95 HE3 TRP 95 -13.655 -11.533 3.141 669 HZ2 TRP 95 HZ2 TRP 95 -18.609 -11.858 3.610 670 HZ3 TRP 95 HZ3 TRP 95 -14.944 -13.225 1.906 671 HH2 TRP 95 HH2 TRP 95 -17.370 -13.383 2.137 672 H VAL 96 H VAL 96 -14.286 -6.685 2.334 673 HA VAL 96 HA VAL 96 -15.333 -4.642 4.159 674 HB VAL 96 HB VAL 96 -14.965 -4.644 1.164 675 HG11 VAL 96 1HG1 VAL 96 -17.039 -3.488 1.719 676 HG12 VAL 96 2HG1 VAL 96 -16.181 -2.499 2.903 677 HG13 VAL 96 3HG1 VAL 96 -15.805 -2.347 1.186 678 HG21 VAL 96 3HG2 VAL 96 -12.902 -4.077 1.908 679 HG22 VAL 96 1HG2 VAL 96 -13.649 -2.487 2.062 680 HG23 VAL 96 2HG2 VAL 96 -13.498 -3.531 3.476 681 H THR 97 H THR 97 -17.498 -4.038 4.166 682 HA THR 97 HA THR 97 -19.342 -5.886 2.797 683 HB THR 97 HB THR 97 -20.851 -5.237 4.888 684 HG1 THR 97 HG1 THR 97 -19.683 -4.223 6.331 685 HG21 THR 97 3HG2 THR 97 -20.547 -7.385 5.613 686 HG22 THR 97 1HG2 THR 97 -18.790 -7.292 5.500 687 HG23 THR 97 2HG2 THR 97 -19.757 -7.502 4.041 688 H VAL 98 H VAL 98 -20.978 -4.989 1.686 689 HA VAL 98 HA VAL 98 -21.389 -2.082 1.970 690 HB VAL 98 HB VAL 98 -21.709 -3.719 -0.549 691 HG11 VAL 98 1HG1 VAL 98 -22.512 -1.023 0.220 692 HG12 VAL 98 2HG1 VAL 98 -21.549 -1.073 -1.258 693 HG13 VAL 98 3HG1 VAL 98 -23.034 -2.017 -1.139 694 HG21 VAL 98 3HG2 VAL 98 -19.510 -1.885 0.377 695 HG22 VAL 98 1HG2 VAL 98 -19.386 -3.576 -0.111 696 HG23 VAL 98 2HG2 VAL 98 -19.739 -2.334 -1.313 697 H HIS 99 H HIS 99 -23.205 -1.900 3.148 698 HA HIS 99 HA HIS 99 -25.329 -3.698 3.252 699 HB2 HIS 99 1HB HIS 99 -25.425 -0.710 3.717 700 HB3 HIS 99 2HB HIS 99 -26.611 -1.881 4.284 701 HD1 HIS 99 HD1 HIS 99 -25.580 -3.731 6.016 702 HD2 HIS 99 HD2 HIS 99 -23.425 -0.218 5.483 703 HE1 HIS 99 HE1 HIS 99 -24.030 -3.587 7.991 704 HE2 HIS 99 HE2 HIS 99 -22.797 -1.411 7.690 Start of MODEL 8 1 H1 GLY 1 H GLY 1 32.873 -2.781 14.577 2 HA2 GLY 1 1HA GLY 1 32.571 -0.007 13.679 3 HA3 GLY 1 2HA GLY 1 33.191 -1.182 12.528 4 H SER 2 H SER 2 31.707 -1.931 11.186 5 HA SER 2 HA SER 2 29.700 -2.515 10.285 6 HB2 SER 2 1HB SER 2 29.064 -3.348 13.126 7 HB3 SER 2 2HB SER 2 28.235 -3.899 11.670 8 HG SER 2 HG SER 2 29.769 -5.424 12.278 9 H SER 3 H SER 3 29.921 0.176 10.914 10 HA SER 3 HA SER 3 27.787 1.210 12.431 11 HB2 SER 3 1HB SER 3 28.233 3.330 11.243 12 HB3 SER 3 2HB SER 3 29.723 2.575 11.808 13 HG SER 3 HG SER 3 29.787 1.640 9.593 14 H GLY 4 H GLY 4 28.104 0.598 8.943 15 HA2 GLY 4 1HA GLY 4 25.912 -0.423 8.083 16 HA3 GLY 4 2HA GLY 4 25.211 1.079 8.664 17 H SER 5 H SER 5 24.634 0.790 6.201 18 HA SER 5 HA SER 5 26.664 2.268 4.656 19 HB2 SER 5 1HB SER 5 24.613 0.266 3.685 20 HB3 SER 5 2HB SER 5 25.627 1.243 2.624 21 HG SER 5 HG SER 5 27.450 0.249 3.588 22 H SER 6 H SER 6 26.016 4.341 4.868 23 HA SER 6 HA SER 6 23.460 5.325 5.175 24 HB2 SER 6 1HB SER 6 25.909 6.551 3.911 25 HB3 SER 6 2HB SER 6 24.409 7.455 4.114 26 HG SER 6 HG SER 6 24.562 6.998 6.370 27 H GLY 7 H GLY 7 21.788 4.750 3.925 28 HA2 GLY 7 1HA GLY 7 20.465 5.189 2.006 29 HA3 GLY 7 2HA GLY 7 21.938 5.426 1.078 30 H MET 8 H MET 8 19.951 2.965 2.664 31 HA MET 8 HA MET 8 20.834 1.063 0.603 32 HB2 MET 8 1HB MET 8 20.951 -0.725 2.194 33 HB3 MET 8 2HB MET 8 21.931 0.601 2.806 34 HG2 MET 8 1HG MET 8 20.239 1.214 4.378 35 HG3 MET 8 2HG MET 8 19.105 0.061 3.678 36 HE1 MET 8 3HE MET 8 22.483 0.598 4.996 37 HE2 MET 8 1HE MET 8 22.239 -0.063 6.613 38 HE3 MET 8 2HE MET 8 23.089 -1.011 5.393 39 H GLU 9 H GLU 9 19.298 -0.545 0.022 40 HA GLU 9 HA GLU 9 16.571 0.390 0.234 41 HB2 GLU 9 1HB GLU 9 17.840 -1.900 -1.268 42 HB3 GLU 9 2HB GLU 9 16.114 -1.572 -1.295 43 HG2 GLU 9 1HG GLU 9 16.354 0.347 -2.531 44 HG3 GLU 9 2HG GLU 9 18.018 0.603 -2.008 45 H VAL 10 H VAL 10 14.794 -1.125 0.732 46 HA VAL 10 HA VAL 10 15.535 -3.210 2.662 47 HB VAL 10 HB VAL 10 13.537 -2.446 4.054 48 HG11 VAL 10 1HG1 VAL 10 15.611 -2.162 5.057 49 HG12 VAL 10 2HG1 VAL 10 16.140 -0.980 3.859 50 HG13 VAL 10 3HG1 VAL 10 14.941 -0.531 5.073 51 HG21 VAL 10 3HG2 VAL 10 13.999 0.280 2.955 52 HG22 VAL 10 1HG2 VAL 10 12.928 -0.811 2.076 53 HG23 VAL 10 2HG2 VAL 10 12.576 -0.391 3.752 54 H ALA 11 H ALA 11 13.570 -4.558 3.263 55 HA ALA 11 HA ALA 11 12.219 -5.300 0.799 56 HB1 ALA 11 3HB ALA 11 11.379 -7.213 2.272 57 HB2 ALA 11 1HB ALA 11 13.105 -7.153 1.917 58 HB3 ALA 11 2HB ALA 11 12.507 -6.608 3.484 59 HA PRO 12 HA PRO 12 8.310 -3.522 1.712 60 HB2 PRO 12 1HB PRO 12 6.633 -5.351 0.611 61 HB3 PRO 12 2HB PRO 12 7.628 -4.257 -0.356 62 HG2 PRO 12 1HG PRO 12 8.111 -7.123 0.359 63 HG3 PRO 12 2HG PRO 12 8.343 -6.304 -1.197 64 HD2 PRO 12 1HD PRO 12 10.393 -6.833 0.491 65 HD3 PRO 12 2HD PRO 12 10.369 -5.406 -0.564 66 H SER 13 H SER 13 6.494 -3.671 3.066 67 HA SER 13 HA SER 13 5.745 -6.038 4.437 68 HB2 SER 13 1HB SER 13 6.473 -5.296 6.725 69 HB3 SER 13 2HB SER 13 7.801 -5.767 5.665 70 HG SER 13 HG SER 13 7.036 -3.084 5.680 71 H PHE 14 H PHE 14 3.924 -5.741 5.774 72 HA PHE 14 HA PHE 14 2.598 -3.153 5.369 73 HB2 PHE 14 1HB PHE 14 1.547 -5.939 5.825 74 HB3 PHE 14 2HB PHE 14 0.521 -4.522 6.025 75 HD1 PHE 14 HD2 PHE 14 0.432 -2.888 4.010 76 HD2 PHE 14 HD1 PHE 14 1.735 -6.932 3.753 77 HE1 PHE 14 HE2 PHE 14 -0.024 -2.878 1.592 78 HE2 PHE 14 HE1 PHE 14 1.282 -6.927 1.335 79 HZ PHE 14 HZ PHE 14 0.401 -4.899 0.251 80 H SER 15 H SER 15 2.924 -1.843 7.052 81 HA SER 15 HA SER 15 3.421 -2.743 9.698 82 HB2 SER 15 1HB SER 15 4.028 -0.475 8.519 83 HB3 SER 15 2HB SER 15 2.452 0.035 9.125 84 HG SER 15 HG SER 15 4.735 -0.766 10.571 85 H SER 16 H SER 16 0.569 -1.420 8.074 86 HA SER 16 HA SER 16 -1.074 -2.462 10.274 87 HB2 SER 16 1HB SER 16 -0.661 0.136 10.236 88 HB3 SER 16 2HB SER 16 -1.865 0.106 8.948 89 HG SER 16 HG SER 16 -2.439 -1.295 11.290 90 H VAL 17 H VAL 17 -1.955 -4.156 9.212 91 HA VAL 17 HA VAL 17 -2.742 -4.107 6.485 92 HB VAL 17 HB VAL 17 -3.892 -6.243 6.984 93 HG11 VAL 17 1HG1 VAL 17 -1.594 -7.130 8.232 94 HG12 VAL 17 2HG1 VAL 17 -1.837 -6.959 6.492 95 HG13 VAL 17 3HG1 VAL 17 -1.079 -5.657 7.410 96 HG21 VAL 17 3HG2 VAL 17 -4.745 -6.320 9.075 97 HG22 VAL 17 1HG2 VAL 17 -3.172 -7.017 9.461 98 HG23 VAL 17 2HG2 VAL 17 -3.471 -5.303 9.748 99 H LEU 18 H LEU 18 -4.961 -4.457 5.709 100 HA LEU 18 HA LEU 18 -6.707 -2.435 6.664 101 HB2 LEU 18 1HB LEU 18 -7.248 -4.696 4.745 102 HB3 LEU 18 2HB LEU 18 -8.276 -3.285 4.984 103 HG LEU 18 HG LEU 18 -5.448 -2.864 4.143 104 HD11 LEU 18 1HD1 LEU 18 -6.169 -4.619 2.648 105 HD12 LEU 18 2HD1 LEU 18 -6.123 -3.082 1.785 106 HD13 LEU 18 3HD1 LEU 18 -7.668 -3.753 2.307 107 HD21 LEU 18 3HD2 LEU 18 -6.439 -0.962 2.989 108 HD22 LEU 18 1HD2 LEU 18 -6.891 -0.965 4.693 109 HD23 LEU 18 2HD2 LEU 18 -8.051 -1.492 3.473 110 H LYS 19 H LYS 19 -8.762 -2.629 7.612 111 HA LYS 19 HA LYS 19 -9.300 -5.210 8.925 112 HB2 LYS 19 1HB LYS 19 -9.470 -2.436 10.105 113 HB3 LYS 19 2HB LYS 19 -10.194 -3.851 10.858 114 HG2 LYS 19 1HG LYS 19 -7.307 -3.935 10.146 115 HG3 LYS 19 2HG LYS 19 -7.813 -3.003 11.557 116 HD2 LYS 19 1HD LYS 19 -8.622 -4.885 12.663 117 HD3 LYS 19 2HD LYS 19 -8.751 -5.823 11.174 118 HE2 LYS 19 1HE LYS 19 -6.875 -6.752 12.127 119 HE3 LYS 19 2HE LYS 19 -6.157 -5.511 11.101 120 HZ1 LYS 19 3HZ LYS 19 -6.455 -4.104 13.290 121 HZ2 LYS 19 1HZ LYS 19 -5.091 -5.073 13.039 122 HZ3 LYS 19 2HZ LYS 19 -6.356 -5.629 14.014 123 H ASP 20 H ASP 20 -11.584 -5.413 9.676 124 HA ASP 20 HA ASP 20 -13.425 -5.405 7.736 125 HB2 ASP 20 1HB ASP 20 -13.919 -6.351 9.904 126 HB3 ASP 20 2HB ASP 20 -13.925 -4.754 10.646 127 H CYS 21 H CYS 21 -15.116 -4.064 6.991 128 HA CYS 21 HA CYS 21 -15.214 -1.293 7.790 129 HB2 CYS 21 1HB CYS 21 -13.296 -1.533 6.106 130 HB3 CYS 21 2HB CYS 21 -14.541 -1.862 4.907 131 HG CYS 21 HG CYS 21 -13.360 0.934 5.315 132 H ALA 22 H ALA 22 -17.069 -0.220 7.062 133 HA ALA 22 HA ALA 22 -18.971 -1.823 5.497 134 HB1 ALA 22 3HB ALA 22 -19.181 -1.209 8.274 135 HB2 ALA 22 1HB ALA 22 -20.465 -0.372 7.401 136 HB3 ALA 22 2HB ALA 22 -20.292 -2.121 7.253 137 H VAL 23 H VAL 23 -20.443 -0.657 4.254 138 HA VAL 23 HA VAL 23 -20.451 2.237 4.350 139 HB VAL 23 HB VAL 23 -18.460 1.604 2.931 140 HG11 VAL 23 1HG1 VAL 23 -19.110 0.956 0.551 141 HG12 VAL 23 2HG1 VAL 23 -19.163 -0.315 1.775 142 HG13 VAL 23 3HG1 VAL 23 -20.656 0.454 1.235 143 HG21 VAL 23 3HG2 VAL 23 -20.380 3.015 1.159 144 HG22 VAL 23 1HG2 VAL 23 -20.074 3.699 2.755 145 HG23 VAL 23 2HG2 VAL 23 -18.739 3.456 1.629 146 H ILE 24 H ILE 24 -22.217 3.157 3.315 147 HA ILE 24 HA ILE 24 -24.394 1.327 2.772 148 HB ILE 24 HB ILE 24 -24.270 4.337 2.907 149 HG12 ILE 24 1HG1 ILE 24 -25.762 2.392 4.670 150 HG13 ILE 24 2HG1 ILE 24 -24.126 2.937 5.022 151 HG21 ILE 24 1HG2 ILE 24 -26.863 3.984 2.917 152 HG22 ILE 24 2HG2 ILE 24 -25.981 4.093 1.395 153 HG23 ILE 24 3HG2 ILE 24 -26.459 2.517 2.025 154 HD11 ILE 24 3HD1 ILE 24 -26.268 4.953 4.564 155 HD12 ILE 24 1HD1 ILE 24 -26.175 4.111 6.110 156 HD13 ILE 24 2HD1 ILE 24 -24.805 5.064 5.541 157 H GLU 25 H GLU 25 -25.612 1.269 0.854 158 HA GLU 25 HA GLU 25 -24.185 1.231 -1.525 159 HB2 GLU 25 1HB GLU 25 -26.316 0.039 -1.159 160 HB3 GLU 25 2HB GLU 25 -27.170 1.575 -1.188 161 HG2 GLU 25 1HG GLU 25 -26.296 1.905 -3.515 162 HG3 GLU 25 2HG GLU 25 -25.712 0.243 -3.452 163 H GLY 26 H GLY 26 -23.355 2.827 -2.688 164 HA2 GLY 26 1HA GLY 26 -23.697 4.753 -4.086 165 HA3 GLY 26 2HA GLY 26 -24.880 5.336 -2.924 166 H GLN 27 H GLN 27 -23.202 4.766 -0.612 167 HA GLN 27 HA GLN 27 -21.924 7.230 -0.342 168 HB2 GLN 27 1HB GLN 27 -21.884 4.669 1.188 169 HB3 GLN 27 2HB GLN 27 -20.674 5.887 1.569 170 HG2 GLN 27 1HG GLN 27 -23.663 6.187 1.704 171 HG3 GLN 27 2HG GLN 27 -22.527 6.149 3.051 172 HE21 GLN 27 1HE2 GLN 27 -24.168 8.084 0.834 173 HE22 GLN 27 2HE2 GLN 27 -23.384 9.584 1.182 174 H ASP 28 H ASP 28 -19.474 7.171 0.502 175 HA ASP 28 HA ASP 28 -17.845 5.707 -1.454 176 HB2 ASP 28 1HB ASP 28 -16.437 7.874 -1.585 177 HB3 ASP 28 2HB ASP 28 -17.934 7.792 -2.510 178 H PHE 29 H PHE 29 -16.339 4.578 -0.437 179 HA PHE 29 HA PHE 29 -15.290 5.612 2.115 180 HB2 PHE 29 1HB PHE 29 -15.051 3.350 2.905 181 HB3 PHE 29 2HB PHE 29 -16.701 3.555 2.326 182 HD1 PHE 29 HD2 PHE 29 -13.420 2.070 1.568 183 HD2 PHE 29 HD1 PHE 29 -17.532 2.298 0.493 184 HE1 PHE 29 HE2 PHE 29 -13.139 0.120 0.095 185 HE2 PHE 29 HE1 PHE 29 -17.258 0.348 -0.981 186 HZ PHE 29 HZ PHE 29 -15.059 -0.743 -1.183 187 H VAL 30 H VAL 30 -13.085 5.383 2.530 188 HA VAL 30 HA VAL 30 -11.442 4.654 0.193 189 HB VAL 30 HB VAL 30 -10.946 6.843 2.213 190 HG11 VAL 30 1HG1 VAL 30 -9.204 6.017 -0.105 191 HG12 VAL 30 2HG1 VAL 30 -8.884 7.303 1.061 192 HG13 VAL 30 3HG1 VAL 30 -8.883 5.618 1.583 193 HG21 VAL 30 3HG2 VAL 30 -12.303 6.801 -0.283 194 HG22 VAL 30 1HG2 VAL 30 -11.968 8.179 0.765 195 HG23 VAL 30 2HG2 VAL 30 -10.810 7.719 -0.483 196 H LEU 31 H LEU 31 -10.402 2.819 0.589 197 HA LEU 31 HA LEU 31 -9.888 1.879 3.245 198 HB2 LEU 31 1HB LEU 31 -8.901 0.825 0.599 199 HB3 LEU 31 2HB LEU 31 -8.824 -0.021 2.143 200 HG LEU 31 HG LEU 31 -11.471 0.819 1.030 201 HD11 LEU 31 1HD1 LEU 31 -9.649 -0.982 -0.250 202 HD12 LEU 31 2HD1 LEU 31 -11.272 -0.499 -0.740 203 HD13 LEU 31 3HD1 LEU 31 -11.051 -1.870 0.346 204 HD21 LEU 31 3HD2 LEU 31 -11.050 -1.758 2.387 205 HD22 LEU 31 1HD2 LEU 31 -12.331 -0.562 2.586 206 HD23 LEU 31 2HD2 LEU 31 -10.771 -0.322 3.374 207 H GLN 32 H GLN 32 -8.376 2.875 4.424 208 HA GLN 32 HA GLN 32 -5.834 3.596 3.136 209 HB2 GLN 32 1HB GLN 32 -7.026 5.437 4.249 210 HB3 GLN 32 2HB GLN 32 -6.998 4.541 5.762 211 HG2 GLN 32 1HG GLN 32 -4.398 4.548 5.307 212 HG3 GLN 32 2HG GLN 32 -4.813 5.978 4.364 213 HE21 GLN 32 1HE2 GLN 32 -4.723 7.812 5.426 214 HE22 GLN 32 2HE2 GLN 32 -4.934 8.021 7.128 215 H CYS 33 H CYS 33 -3.982 2.624 3.703 216 HA CYS 33 HA CYS 33 -3.883 1.052 6.169 217 HB2 CYS 33 1HB CYS 33 -3.063 -0.914 5.083 218 HB3 CYS 33 2HB CYS 33 -4.537 -0.440 4.248 219 HG CYS 33 HG CYS 33 -3.189 0.723 2.080 220 H SER 34 H SER 34 -1.522 0.081 6.325 221 HA SER 34 HA SER 34 0.350 2.240 5.596 222 HB2 SER 34 1HB SER 34 -0.139 2.247 8.008 223 HB3 SER 34 2HB SER 34 0.359 0.558 8.116 224 HG SER 34 HG SER 34 2.412 1.491 7.111 225 H VAL 35 H VAL 35 2.041 1.647 4.414 226 HA VAL 35 HA VAL 35 3.052 -1.095 4.598 227 HB VAL 35 HB VAL 35 1.667 -1.354 2.719 228 HG11 VAL 35 1HG1 VAL 35 1.291 0.212 1.017 229 HG12 VAL 35 2HG1 VAL 35 1.325 1.170 2.499 230 HG13 VAL 35 3HG1 VAL 35 2.731 1.141 1.434 231 HG21 VAL 35 3HG2 VAL 35 3.199 -1.679 0.872 232 HG22 VAL 35 1HG2 VAL 35 4.367 -0.587 1.616 233 HG23 VAL 35 2HG2 VAL 35 3.987 -2.128 2.384 234 H ARG 36 H ARG 36 5.217 -1.205 4.565 235 HA ARG 36 HA ARG 36 6.694 1.231 3.812 236 HB2 ARG 36 1HB ARG 36 7.388 -0.868 5.874 237 HB3 ARG 36 2HB ARG 36 8.433 0.470 5.417 238 HG2 ARG 36 1HG ARG 36 6.705 2.048 6.190 239 HG3 ARG 36 2HG ARG 36 5.726 0.677 6.717 240 HD2 ARG 36 1HD ARG 36 6.947 1.612 8.593 241 HD3 ARG 36 2HD ARG 36 7.530 -0.012 8.231 242 HE ARG 36 HE ARG 36 8.990 2.471 7.954 243 HH11 ARG 36 2HH1 ARG 36 8.801 -0.909 7.144 244 HH12 ARG 36 1HH1 ARG 36 10.489 -1.051 6.782 245 HH21 ARG 36 2HH2 ARG 36 11.215 2.297 7.481 246 HH22 ARG 36 1HH2 ARG 36 11.861 0.773 6.975 247 H GLY 37 H GLY 37 9.022 0.761 3.188 248 HA2 GLY 37 1HA GLY 37 10.244 -1.441 2.380 249 HA3 GLY 37 2HA GLY 37 8.975 -1.348 1.168 250 H THR 38 H THR 38 11.593 -1.311 0.393 251 HA THR 38 HA THR 38 11.725 1.195 -1.003 252 HB THR 38 HB THR 38 13.902 0.530 0.987 253 HG1 THR 38 HG1 THR 38 13.297 2.696 1.728 254 HG21 THR 38 3HG2 THR 38 14.050 3.065 -0.473 255 HG22 THR 38 1HG2 THR 38 14.286 1.640 -1.484 256 HG23 THR 38 2HG2 THR 38 15.321 1.907 -0.082 257 HA PRO 39 HA PRO 39 12.391 2.010 -2.686 258 HB2 PRO 39 1HB PRO 39 11.571 1.548 -5.233 259 HB3 PRO 39 2HB PRO 39 13.238 1.969 -4.822 260 HG2 PRO 39 1HG PRO 39 12.047 -0.719 -5.383 261 HG3 PRO 39 2HG PRO 39 13.590 -0.042 -5.934 262 HD2 PRO 39 1HD PRO 39 13.417 -1.779 -3.864 263 HD3 PRO 39 2HD PRO 39 14.648 -0.502 -3.938 264 H VAL 40 H VAL 40 10.211 2.760 -3.349 265 HA VAL 40 HA VAL 40 8.170 1.600 -1.940 266 HB VAL 40 HB VAL 40 7.912 3.238 -4.466 267 HG11 VAL 40 1HG1 VAL 40 5.898 2.421 -2.390 268 HG12 VAL 40 2HG1 VAL 40 5.669 3.834 -3.422 269 HG13 VAL 40 3HG1 VAL 40 5.812 2.229 -4.141 270 HG21 VAL 40 3HG2 VAL 40 7.510 5.094 -2.834 271 HG22 VAL 40 1HG2 VAL 40 8.018 3.995 -1.552 272 HG23 VAL 40 2HG2 VAL 40 9.152 4.451 -2.824 273 HA PRO 41 HA PRO 41 7.314 -2.082 -4.289 274 HB2 PRO 41 1HB PRO 41 5.215 -2.903 -2.776 275 HB3 PRO 41 2HB PRO 41 6.897 -3.086 -2.265 276 HG2 PRO 41 1HG PRO 41 4.901 -0.995 -1.491 277 HG3 PRO 41 2HG PRO 41 6.060 -1.867 -0.471 278 HD2 PRO 41 1HD PRO 41 6.502 0.656 -1.350 279 HD3 PRO 41 2HD PRO 41 7.817 -0.508 -1.089 280 H ARG 42 H ARG 42 5.638 -2.897 -5.635 281 HA ARG 42 HA ARG 42 4.050 -0.871 -6.858 282 HB2 ARG 42 1HB ARG 42 4.532 -3.776 -7.301 283 HB3 ARG 42 2HB ARG 42 3.079 -3.075 -8.001 284 HG2 ARG 42 1HG ARG 42 4.783 -3.012 -9.653 285 HG3 ARG 42 2HG ARG 42 4.526 -1.359 -9.092 286 HD2 ARG 42 1HD ARG 42 6.474 -1.576 -7.611 287 HD3 ARG 42 2HD ARG 42 6.736 -3.213 -8.212 288 HE ARG 42 HE ARG 42 7.360 -0.737 -9.562 289 HH11 ARG 42 2HH1 ARG 42 6.821 -4.161 -9.881 290 HH12 ARG 42 1HH1 ARG 42 7.702 -4.294 -11.367 291 HH21 ARG 42 2HH2 ARG 42 8.522 -0.898 -11.518 292 HH22 ARG 42 1HH2 ARG 42 8.670 -2.437 -12.297 293 H ILE 43 H ILE 43 2.084 -0.212 -6.314 294 HA ILE 43 HA ILE 43 0.553 -1.758 -4.367 295 HB ILE 43 HB ILE 43 -0.093 0.986 -5.437 296 HG12 ILE 43 1HG1 ILE 43 2.097 1.134 -4.455 297 HG13 ILE 43 2HG1 ILE 43 0.947 1.809 -3.307 298 HG21 ILE 43 1HG2 ILE 43 -0.923 0.565 -2.760 299 HG22 ILE 43 2HG2 ILE 43 -1.919 0.814 -4.192 300 HG23 ILE 43 3HG2 ILE 43 -1.451 -0.818 -3.717 301 HD11 ILE 43 3HD1 ILE 43 2.562 -0.671 -3.147 302 HD12 ILE 43 1HD1 ILE 43 2.205 0.535 -1.910 303 HD13 ILE 43 2HD1 ILE 43 0.981 -0.651 -2.365 304 H THR 44 H THR 44 -0.731 -3.261 -5.224 305 HA THR 44 HA THR 44 -2.520 -2.460 -7.416 306 HB THR 44 HB THR 44 -1.192 -5.170 -7.224 307 HG1 THR 44 HG1 THR 44 0.176 -4.475 -8.769 308 HG21 THR 44 3HG2 THR 44 -3.213 -3.958 -9.073 309 HG22 THR 44 1HG2 THR 44 -3.215 -5.545 -8.304 310 HG23 THR 44 2HG2 THR 44 -2.123 -5.218 -9.650 311 H TRP 45 H TRP 45 -4.572 -2.682 -6.842 312 HA TRP 45 HA TRP 45 -5.236 -4.464 -4.612 313 HB2 TRP 45 1HB TRP 45 -6.868 -2.258 -5.890 314 HB3 TRP 45 2HB TRP 45 -7.340 -3.196 -4.476 315 HD1 TRP 45 HD1 TRP 45 -4.385 -0.878 -5.485 316 HE1 TRP 45 HE1 TRP 45 -3.716 0.489 -3.409 317 HE3 TRP 45 HE3 TRP 45 -7.639 -2.898 -2.099 318 HZ2 TRP 45 HZ2 TRP 45 -4.467 0.684 -0.696 319 HZ3 TRP 45 HZ3 TRP 45 -7.599 -2.066 0.216 320 HH2 TRP 45 HH2 TRP 45 -6.045 -0.312 0.902 321 H LEU 46 H LEU 46 -6.366 -6.280 -4.899 322 HA LEU 46 HA LEU 46 -7.695 -6.691 -7.497 323 HB2 LEU 46 1HB LEU 46 -6.386 -8.801 -5.791 324 HB3 LEU 46 2HB LEU 46 -7.116 -9.030 -7.379 325 HG LEU 46 HG LEU 46 -5.262 -7.243 -8.054 326 HD11 LEU 46 1HD1 LEU 46 -3.288 -7.357 -6.820 327 HD12 LEU 46 2HD1 LEU 46 -3.823 -8.771 -5.913 328 HD13 LEU 46 3HD1 LEU 46 -4.545 -7.194 -5.594 329 HD21 LEU 46 3HD2 LEU 46 -5.026 -9.092 -9.305 330 HD22 LEU 46 1HD2 LEU 46 -5.368 -10.173 -7.955 331 HD23 LEU 46 2HD2 LEU 46 -3.751 -9.500 -8.156 332 H LEU 47 H LEU 47 -9.778 -7.275 -7.454 333 HA LEU 47 HA LEU 47 -10.987 -7.808 -4.830 334 HB2 LEU 47 1HB LEU 47 -11.751 -5.849 -6.231 335 HB3 LEU 47 2HB LEU 47 -12.408 -7.027 -7.365 336 HG LEU 47 HG LEU 47 -13.789 -7.900 -5.410 337 HD11 LEU 47 1HD1 LEU 47 -13.801 -6.872 -3.419 338 HD12 LEU 47 2HD1 LEU 47 -13.658 -5.266 -4.133 339 HD13 LEU 47 3HD1 LEU 47 -12.221 -6.263 -3.912 340 HD21 LEU 47 3HD2 LEU 47 -15.539 -6.465 -5.927 341 HD22 LEU 47 1HD2 LEU 47 -14.489 -6.332 -7.338 342 HD23 LEU 47 2HD2 LEU 47 -14.475 -5.069 -6.107 343 H ASN 48 H ASN 48 -12.261 -9.586 -4.475 344 HA ASN 48 HA ASN 48 -12.693 -11.834 -4.665 345 HB2 ASN 48 1HB ASN 48 -14.221 -12.335 -6.568 346 HB3 ASN 48 2HB ASN 48 -14.671 -10.880 -5.683 347 HD21 ASN 48 1HD2 ASN 48 -15.233 -9.246 -6.906 348 HD22 ASN 48 2HD2 ASN 48 -14.673 -8.925 -8.508 349 H GLY 49 H GLY 49 -10.070 -10.981 -5.728 350 HA2 GLY 49 1HA GLY 49 -8.299 -12.227 -6.573 351 HA3 GLY 49 2HA GLY 49 -9.448 -13.442 -7.112 352 H GLN 50 H GLN 50 -9.525 -10.003 -7.891 353 HA GLN 50 HA GLN 50 -8.591 -10.551 -10.599 354 HB2 GLN 50 1HB GLN 50 -11.317 -9.447 -9.929 355 HB3 GLN 50 2HB GLN 50 -10.571 -9.255 -11.511 356 HG2 GLN 50 1HG GLN 50 -10.341 -11.833 -11.439 357 HG3 GLN 50 2HG GLN 50 -11.575 -11.733 -10.183 358 HE21 GLN 50 1HE2 GLN 50 -12.382 -13.126 -12.181 359 HE22 GLN 50 2HE2 GLN 50 -13.427 -12.259 -13.249 360 HA PRO 51 HA PRO 51 -6.629 -6.655 -9.961 361 HB2 PRO 51 1HB PRO 51 -5.953 -6.129 -12.537 362 HB3 PRO 51 2HB PRO 51 -5.117 -7.335 -11.552 363 HG2 PRO 51 1HG PRO 51 -7.257 -7.724 -13.608 364 HG3 PRO 51 2HG PRO 51 -5.776 -8.662 -13.343 365 HD2 PRO 51 1HD PRO 51 -8.202 -9.489 -12.468 366 HD3 PRO 51 2HD PRO 51 -6.697 -9.860 -11.602 367 H ILE 52 H ILE 52 -7.572 -4.753 -9.615 368 HA ILE 52 HA ILE 52 -9.932 -3.986 -11.103 369 HB ILE 52 HB ILE 52 -8.513 -2.488 -8.898 370 HG12 ILE 52 1HG1 ILE 52 -10.972 -4.230 -8.682 371 HG13 ILE 52 2HG1 ILE 52 -9.350 -4.794 -8.294 372 HG21 ILE 52 1HG2 ILE 52 -11.324 -2.200 -9.947 373 HG22 ILE 52 2HG2 ILE 52 -10.574 -1.248 -8.667 374 HG23 ILE 52 3HG2 ILE 52 -9.986 -1.116 -10.324 375 HD11 ILE 52 3HD1 ILE 52 -9.620 -2.446 -6.852 376 HD12 ILE 52 1HD1 ILE 52 -11.191 -3.234 -6.715 377 HD13 ILE 52 2HD1 ILE 52 -9.728 -4.092 -6.229 378 H GLN 53 H GLN 53 -9.917 -2.747 -12.851 379 HA GLN 53 HA GLN 53 -7.483 -1.472 -13.724 380 HB2 GLN 53 1HB GLN 53 -10.228 -1.397 -14.987 381 HB3 GLN 53 2HB GLN 53 -8.711 -0.946 -15.753 382 HG2 GLN 53 1HG GLN 53 -8.020 -3.392 -15.199 383 HG3 GLN 53 2HG GLN 53 -9.759 -3.653 -15.077 384 HE21 GLN 53 1HE2 GLN 53 -7.357 -4.158 -17.069 385 HE22 GLN 53 2HE2 GLN 53 -8.111 -3.894 -18.601 386 H TYR 54 H TYR 54 -10.786 -0.359 -12.982 387 HA TYR 54 HA TYR 54 -9.945 2.407 -13.026 388 HB2 TYR 54 1HB TYR 54 -12.238 2.956 -12.723 389 HB3 TYR 54 2HB TYR 54 -12.208 1.577 -13.815 390 HD1 TYR 54 HD2 TYR 54 -12.732 -0.711 -12.894 391 HD2 TYR 54 HD1 TYR 54 -13.384 2.852 -10.663 392 HE1 TYR 54 HE2 TYR 54 -14.259 -1.932 -11.401 393 HE2 TYR 54 HE1 TYR 54 -14.912 1.641 -9.163 394 HH TYR 54 HH TYR 54 -15.448 -0.555 -8.463 395 H ALA 55 H ALA 55 -8.535 0.928 -11.125 396 HA ALA 55 HA ALA 55 -9.717 1.531 -8.532 397 HB1 ALA 55 3HB ALA 55 -7.822 -0.364 -9.505 398 HB2 ALA 55 1HB ALA 55 -7.072 0.591 -8.226 399 HB3 ALA 55 2HB ALA 55 -8.580 -0.270 -7.915 400 H ARG 56 H ARG 56 -9.666 3.730 -8.283 401 HA ARG 56 HA ARG 56 -7.316 5.272 -8.891 402 HB2 ARG 56 1HB ARG 56 -10.029 5.844 -7.791 403 HB3 ARG 56 2HB ARG 56 -8.750 7.014 -7.494 404 HG2 ARG 56 1HG ARG 56 -8.362 6.831 -10.062 405 HG3 ARG 56 2HG ARG 56 -10.010 6.199 -10.070 406 HD2 ARG 56 1HD ARG 56 -10.845 8.200 -9.045 407 HD3 ARG 56 2HD ARG 56 -9.209 8.812 -8.801 408 HE ARG 56 HE ARG 56 -9.810 8.304 -11.554 409 HH11 ARG 56 2HH1 ARG 56 -10.125 10.605 -8.961 410 HH12 ARG 56 1HH1 ARG 56 -10.258 11.973 -10.016 411 HH21 ARG 56 2HH2 ARG 56 -9.984 10.096 -12.954 412 HH22 ARG 56 1HH2 ARG 56 -10.179 11.682 -12.287 413 H SER 57 H SER 57 -5.834 4.022 -7.545 414 HA SER 57 HA SER 57 -6.075 4.579 -4.670 415 HB2 SER 57 1HB SER 57 -5.753 2.260 -4.985 416 HB3 SER 57 2HB SER 57 -4.528 2.514 -6.228 417 HG SER 57 HG SER 57 -4.104 3.458 -3.613 418 H THR 58 H THR 58 -4.294 5.411 -3.505 419 HA THR 58 HA THR 58 -2.071 6.514 -5.044 420 HB THR 58 HB THR 58 -2.326 8.744 -4.022 421 HG1 THR 58 HG1 THR 58 -4.114 9.234 -2.817 422 HG21 THR 58 3HG2 THR 58 -3.179 8.872 -6.136 423 HG22 THR 58 1HG2 THR 58 -4.650 9.222 -5.229 424 HG23 THR 58 2HG2 THR 58 -4.365 7.597 -5.853 425 H CYS 59 H CYS 59 -0.237 6.109 -4.008 426 HA CYS 59 HA CYS 59 -0.338 5.644 -1.106 427 HB2 CYS 59 1HB CYS 59 0.432 3.791 -2.697 428 HB3 CYS 59 2HB CYS 59 1.877 4.763 -2.951 429 HG CYS 59 HG CYS 59 3.114 4.132 -0.768 430 H GLU 60 H GLU 60 0.478 7.185 0.135 431 HA GLU 60 HA GLU 60 2.731 8.778 -0.889 432 HB2 GLU 60 1HB GLU 60 0.158 9.697 0.313 433 HB3 GLU 60 2HB GLU 60 1.617 10.617 0.654 434 HG2 GLU 60 1HG GLU 60 1.859 11.307 -1.517 435 HG3 GLU 60 2HG GLU 60 0.978 9.926 -2.169 436 H ALA 61 H ALA 61 4.449 8.770 0.400 437 HA ALA 61 HA ALA 61 5.804 8.320 2.177 438 HB1 ALA 61 3HB ALA 61 4.193 10.309 2.913 439 HB2 ALA 61 1HB ALA 61 3.721 9.116 4.125 440 HB3 ALA 61 2HB ALA 61 5.406 9.621 3.993 441 H GLY 62 H GLY 62 4.475 6.072 1.262 442 HA2 GLY 62 1HA GLY 62 4.188 3.881 1.908 443 HA3 GLY 62 2HA GLY 62 4.688 4.354 3.524 444 H VAL 63 H VAL 63 2.001 5.883 1.905 445 HA VAL 63 HA VAL 63 0.159 4.471 3.725 446 HB VAL 63 HB VAL 63 -0.014 7.356 2.840 447 HG11 VAL 63 1HG1 VAL 63 -2.091 5.699 3.483 448 HG12 VAL 63 2HG1 VAL 63 -1.711 6.442 5.039 449 HG13 VAL 63 3HG1 VAL 63 -2.101 7.455 3.648 450 HG21 VAL 63 3HG2 VAL 63 0.514 7.950 5.095 451 HG22 VAL 63 1HG2 VAL 63 0.482 6.262 5.604 452 HG23 VAL 63 2HG2 VAL 63 1.757 6.834 4.529 453 H ALA 64 H ALA 64 -0.415 2.964 2.128 454 HA ALA 64 HA ALA 64 -1.343 3.756 -0.455 455 HB1 ALA 64 3HB ALA 64 -1.129 1.224 1.057 456 HB2 ALA 64 1HB ALA 64 -2.335 1.284 -0.229 457 HB3 ALA 64 2HB ALA 64 -0.640 1.608 -0.593 458 H GLU 65 H GLU 65 -3.297 4.439 -1.046 459 HA GLU 65 HA GLU 65 -5.595 3.856 0.686 460 HB2 GLU 65 1HB GLU 65 -5.137 6.561 -0.569 461 HB3 GLU 65 2HB GLU 65 -6.388 6.111 0.581 462 HG2 GLU 65 1HG GLU 65 -4.293 5.534 2.083 463 HG3 GLU 65 2HG GLU 65 -3.523 6.720 1.032 464 H LEU 66 H LEU 66 -7.580 3.680 -0.358 465 HA LEU 66 HA LEU 66 -7.537 3.850 -3.292 466 HB2 LEU 66 1HB LEU 66 -7.228 1.524 -2.700 467 HB3 LEU 66 2HB LEU 66 -8.628 1.584 -1.630 468 HG LEU 66 HG LEU 66 -9.952 2.148 -3.782 469 HD11 LEU 66 1HD1 LEU 66 -8.154 2.555 -5.291 470 HD12 LEU 66 2HD1 LEU 66 -8.940 1.058 -5.790 471 HD13 LEU 66 3HD1 LEU 66 -7.409 1.000 -4.916 472 HD21 LEU 66 3HD2 LEU 66 -10.333 -0.194 -4.195 473 HD22 LEU 66 1HD2 LEU 66 -10.107 0.058 -2.464 474 HD23 LEU 66 2HD2 LEU 66 -8.799 -0.617 -3.434 475 H HIS 67 H HIS 67 -8.850 5.563 -3.582 476 HA HIS 67 HA HIS 67 -11.211 5.967 -1.983 477 HB2 HIS 67 1HB HIS 67 -10.233 7.418 -4.451 478 HB3 HIS 67 2HB HIS 67 -11.573 7.935 -3.433 479 HD1 HIS 67 HD1 HIS 67 -10.761 9.947 -2.243 480 HD2 HIS 67 HD2 HIS 67 -7.911 6.924 -2.304 481 HE1 HIS 67 HE1 HIS 67 -8.852 10.794 -0.841 482 HE2 HIS 67 HE2 HIS 67 -7.105 8.984 -0.963 483 H ILE 68 H ILE 68 -12.991 4.818 -2.305 484 HA ILE 68 HA ILE 68 -13.717 4.100 -5.071 485 HB ILE 68 HB ILE 68 -14.396 2.611 -2.532 486 HG12 ILE 68 1HG1 ILE 68 -12.057 2.324 -3.192 487 HG13 ILE 68 2HG1 ILE 68 -12.961 0.838 -3.464 488 HG21 ILE 68 1HG2 ILE 68 -15.988 1.544 -3.652 489 HG22 ILE 68 2HG2 ILE 68 -15.759 2.683 -4.979 490 HG23 ILE 68 3HG2 ILE 68 -14.871 1.159 -4.962 491 HD11 ILE 68 3HD1 ILE 68 -11.945 0.870 -5.452 492 HD12 ILE 68 1HD1 ILE 68 -13.197 2.036 -5.878 493 HD13 ILE 68 2HD1 ILE 68 -11.605 2.598 -5.367 494 H GLN 69 H GLN 69 -15.339 5.305 -5.785 495 HA GLN 69 HA GLN 69 -17.333 6.299 -3.875 496 HB2 GLN 69 1HB GLN 69 -17.919 7.940 -5.582 497 HB3 GLN 69 2HB GLN 69 -16.195 7.993 -5.240 498 HG2 GLN 69 1HG GLN 69 -17.126 6.291 -7.486 499 HG3 GLN 69 2HG GLN 69 -17.129 8.041 -7.701 500 HE21 GLN 69 1HE2 GLN 69 -14.983 9.010 -6.690 501 HE22 GLN 69 2HE2 GLN 69 -13.542 8.267 -7.286 502 H ASP 70 H ASP 70 -19.586 6.260 -4.462 503 HA ASP 70 HA ASP 70 -21.492 5.219 -5.139 504 HB2 ASP 70 1HB ASP 70 -19.724 4.875 -7.536 505 HB3 ASP 70 2HB ASP 70 -21.299 4.087 -7.491 506 H ALA 71 H ALA 71 -20.036 3.823 -3.318 507 HA ALA 71 HA ALA 71 -19.209 1.261 -3.859 508 HB1 ALA 71 3HB ALA 71 -18.849 1.797 -1.675 509 HB2 ALA 71 1HB ALA 71 -20.423 2.572 -1.488 510 HB3 ALA 71 2HB ALA 71 -20.300 0.812 -1.487 511 H LEU 72 H LEU 72 -20.306 0.026 -5.297 512 HA LEU 72 HA LEU 72 -23.187 -0.266 -5.099 513 HB2 LEU 72 1HB LEU 72 -21.102 -1.269 -7.008 514 HB3 LEU 72 2HB LEU 72 -22.750 -1.893 -7.040 515 HG LEU 72 HG LEU 72 -22.097 1.030 -7.353 516 HD11 LEU 72 1HD1 LEU 72 -22.921 -0.158 -9.797 517 HD12 LEU 72 2HD1 LEU 72 -21.543 -1.067 -9.176 518 HD13 LEU 72 3HD1 LEU 72 -21.411 0.674 -9.428 519 HD21 LEU 72 3HD2 LEU 72 -24.378 0.845 -8.555 520 HD22 LEU 72 1HD2 LEU 72 -24.341 0.851 -6.791 521 HD23 LEU 72 2HD2 LEU 72 -24.544 -0.668 -7.663 522 HA PRO 73 HA PRO 73 -23.276 -3.996 -2.787 523 HB2 PRO 73 1HB PRO 73 -25.370 -5.291 -3.930 524 HB3 PRO 73 2HB PRO 73 -25.568 -3.873 -2.893 525 HG2 PRO 73 1HG PRO 73 -25.570 -4.049 -5.881 526 HG3 PRO 73 2HG PRO 73 -26.641 -3.123 -4.814 527 HD2 PRO 73 1HD PRO 73 -24.558 -1.993 -6.125 528 HD3 PRO 73 2HD PRO 73 -25.103 -1.429 -4.532 529 H GLU 74 H GLU 74 -22.692 -4.036 -6.161 530 HA GLU 74 HA GLU 74 -22.075 -6.900 -6.160 531 HB2 GLU 74 1HB GLU 74 -22.060 -6.801 -8.528 532 HB3 GLU 74 2HB GLU 74 -23.443 -5.846 -8.011 533 HG2 GLU 74 1HG GLU 74 -22.179 -3.799 -8.349 534 HG3 GLU 74 2HG GLU 74 -20.766 -4.738 -8.826 535 H ASP 75 H ASP 75 -20.551 -4.145 -5.354 536 HA ASP 75 HA ASP 75 -17.983 -4.834 -6.578 537 HB2 ASP 75 1HB ASP 75 -19.123 -2.391 -5.318 538 HB3 ASP 75 2HB ASP 75 -17.384 -2.638 -5.179 539 H HIS 76 H HIS 76 -19.718 -5.208 -3.674 540 HA HIS 76 HA HIS 76 -17.553 -5.272 -1.838 541 HB2 HIS 76 1HB HIS 76 -19.103 -5.949 -0.250 542 HB3 HIS 76 2HB HIS 76 -20.127 -5.109 -1.410 543 HD1 HIS 76 HD1 HIS 76 -20.932 -7.038 -3.415 544 HD2 HIS 76 HD2 HIS 76 -20.323 -8.219 0.522 545 HE1 HIS 76 HE1 HIS 76 -22.222 -9.180 -3.148 546 HE2 HIS 76 HE2 HIS 76 -21.908 -9.831 -0.735 547 H GLY 77 H GLY 77 -16.291 -6.938 -1.125 548 HA2 GLY 77 1HA GLY 77 -16.741 -9.667 -1.565 549 HA3 GLY 77 2HA GLY 77 -15.755 -9.066 -2.890 550 H THR 78 H THR 78 -13.671 -9.431 -2.600 551 HA THR 78 HA THR 78 -12.541 -9.090 0.095 552 HB THR 78 HB THR 78 -11.837 -11.329 -1.814 553 HG1 THR 78 HG1 THR 78 -12.647 -12.553 0.116 554 HG21 THR 78 3HG2 THR 78 -10.883 -11.361 0.975 555 HG22 THR 78 1HG2 THR 78 -10.139 -10.150 -0.068 556 HG23 THR 78 2HG2 THR 78 -10.068 -11.857 -0.508 557 H TYR 79 H TYR 79 -11.375 -7.277 -0.156 558 HA TYR 79 HA TYR 79 -9.945 -6.724 -2.604 559 HB2 TYR 79 1HB TYR 79 -10.337 -5.258 -0.011 560 HB3 TYR 79 2HB TYR 79 -9.120 -4.724 -1.165 561 HD1 TYR 79 HD1 TYR 79 -9.800 -3.904 -3.393 562 HD2 TYR 79 HD2 TYR 79 -12.671 -4.913 -0.420 563 HE1 TYR 79 HE1 TYR 79 -11.521 -2.669 -4.644 564 HE2 TYR 79 HE2 TYR 79 -14.400 -3.682 -1.663 565 HH TYR 79 HH TYR 79 -13.620 -1.688 -4.407 566 H THR 80 H THR 80 -7.769 -6.799 -2.934 567 HA THR 80 HA THR 80 -6.065 -7.696 -0.716 568 HB THR 80 HB THR 80 -6.014 -8.903 -3.489 569 HG1 THR 80 HG1 THR 80 -7.019 -9.821 -0.998 570 HG21 THR 80 3HG2 THR 80 -3.983 -8.702 -1.572 571 HG22 THR 80 1HG2 THR 80 -4.009 -9.746 -2.992 572 HG23 THR 80 2HG2 THR 80 -4.593 -10.351 -1.442 573 H CYS 81 H CYS 81 -4.515 -6.236 -0.469 574 HA CYS 81 HA CYS 81 -3.597 -4.714 -2.800 575 HB2 CYS 81 1HB CYS 81 -4.422 -3.543 -0.701 576 HB3 CYS 81 2HB CYS 81 -2.974 -4.144 0.097 577 HG CYS 81 HG CYS 81 -2.839 -2.193 -2.705 578 H LEU 82 H LEU 82 -1.952 -5.699 -3.794 579 HA LEU 82 HA LEU 82 0.030 -7.175 -2.260 580 HB2 LEU 82 1HB LEU 82 -0.626 -8.303 -4.202 581 HB3 LEU 82 2HB LEU 82 -0.543 -6.842 -5.183 582 HG LEU 82 HG LEU 82 1.887 -6.904 -5.105 583 HD11 LEU 82 1HD1 LEU 82 2.119 -9.582 -3.987 584 HD12 LEU 82 2HD1 LEU 82 1.562 -8.386 -2.817 585 HD13 LEU 82 3HD1 LEU 82 3.080 -8.135 -3.679 586 HD21 LEU 82 3HD2 LEU 82 0.220 -8.967 -6.266 587 HD22 LEU 82 1HD2 LEU 82 1.868 -9.531 -5.989 588 HD23 LEU 82 2HD2 LEU 82 1.582 -8.089 -6.964 589 H ALA 83 H ALA 83 2.134 -6.594 -1.989 590 HA ALA 83 HA ALA 83 3.109 -4.163 -3.295 591 HB1 ALA 83 3HB ALA 83 3.987 -4.120 -0.578 592 HB2 ALA 83 1HB ALA 83 3.060 -2.911 -1.466 593 HB3 ALA 83 2HB ALA 83 2.227 -4.215 -0.619 594 H GLU 84 H GLU 84 4.779 -4.999 -4.396 595 HA GLU 84 HA GLU 84 6.828 -6.440 -2.858 596 HB2 GLU 84 1HB GLU 84 7.215 -7.975 -4.677 597 HB3 GLU 84 2HB GLU 84 5.515 -8.040 -4.233 598 HG2 GLU 84 1HG GLU 84 4.935 -6.653 -6.131 599 HG3 GLU 84 2HG GLU 84 6.638 -6.497 -6.560 600 H ASN 85 H ASN 85 8.983 -6.321 -3.796 601 HA ASN 85 HA ASN 85 9.423 -4.263 -5.805 602 HB2 ASN 85 1HB ASN 85 10.874 -2.918 -4.440 603 HB3 ASN 85 2HB ASN 85 9.344 -3.094 -3.586 604 HD21 ASN 85 1HD2 ASN 85 10.944 -2.364 -1.869 605 HD22 ASN 85 2HD2 ASN 85 11.709 -3.618 -0.961 606 H ALA 86 H ALA 86 12.056 -3.950 -5.783 607 HA ALA 86 HA ALA 86 13.055 -6.351 -6.848 608 HB1 ALA 86 3HB ALA 86 13.884 -3.670 -6.713 609 HB2 ALA 86 1HB ALA 86 15.199 -4.633 -6.039 610 HB3 ALA 86 2HB ALA 86 14.595 -4.976 -7.661 611 H LEU 87 H LEU 87 12.814 -5.268 -3.625 612 HA LEU 87 HA LEU 87 14.987 -6.932 -2.648 613 HB2 LEU 87 1HB LEU 87 13.130 -4.934 -1.469 614 HB3 LEU 87 2HB LEU 87 13.823 -6.151 -0.398 615 HG LEU 87 HG LEU 87 15.006 -3.905 -0.525 616 HD11 LEU 87 1HD1 LEU 87 16.721 -6.274 -1.224 617 HD12 LEU 87 2HD1 LEU 87 15.953 -6.069 0.350 618 HD13 LEU 87 3HD1 LEU 87 17.135 -4.888 -0.215 619 HD21 LEU 87 3HD2 LEU 87 14.968 -3.463 -2.857 620 HD22 LEU 87 1HD2 LEU 87 15.710 -5.019 -3.232 621 HD23 LEU 87 2HD2 LEU 87 16.651 -3.766 -2.423 622 H GLY 88 H GLY 88 11.644 -6.644 -1.461 623 HA2 GLY 88 1HA GLY 88 11.476 -9.592 -1.521 624 HA3 GLY 88 2HA GLY 88 10.955 -8.668 -0.120 625 H GLN 89 H GLN 89 8.955 -9.956 -0.605 626 HA GLN 89 HA GLN 89 7.139 -8.276 -2.124 627 HB2 GLN 89 1HB GLN 89 6.188 -10.160 -3.383 628 HB3 GLN 89 2HB GLN 89 7.874 -9.885 -3.802 629 HG2 GLN 89 1HG GLN 89 8.570 -11.757 -2.480 630 HG3 GLN 89 2HG GLN 89 6.936 -11.978 -1.857 631 HE21 GLN 89 1HE2 GLN 89 5.328 -11.940 -3.918 632 HE22 GLN 89 2HE2 GLN 89 5.731 -13.143 -5.089 633 H VAL 90 H VAL 90 5.282 -8.041 -1.059 634 HA VAL 90 HA VAL 90 4.357 -10.179 0.718 635 HB VAL 90 HB VAL 90 3.918 -8.674 2.546 636 HG11 VAL 90 1HG1 VAL 90 6.735 -8.475 1.497 637 HG12 VAL 90 2HG1 VAL 90 6.257 -7.995 3.127 638 HG13 VAL 90 3HG1 VAL 90 6.085 -9.674 2.614 639 HG21 VAL 90 3HG2 VAL 90 4.178 -6.670 0.542 640 HG22 VAL 90 1HG2 VAL 90 3.628 -6.500 2.210 641 HG23 VAL 90 2HG2 VAL 90 5.341 -6.332 1.824 642 H SER 91 H SER 91 2.111 -10.090 1.220 643 HA SER 91 HA SER 91 0.505 -8.164 -0.284 644 HB2 SER 91 1HB SER 91 -0.906 -9.941 -1.227 645 HB3 SER 91 2HB SER 91 0.764 -10.110 -1.769 646 HG SER 91 HG SER 91 0.225 -12.112 -1.128 647 H CYS 92 H CYS 92 -1.691 -8.012 0.432 648 HA CYS 92 HA CYS 92 -2.364 -9.398 2.911 649 HB2 CYS 92 1HB CYS 92 -2.757 -7.440 4.176 650 HB3 CYS 92 2HB CYS 92 -1.185 -7.194 3.424 651 HG CYS 92 HG CYS 92 -3.684 -5.992 1.579 652 H SER 93 H SER 93 -4.596 -9.403 3.403 653 HA SER 93 HA SER 93 -6.315 -8.573 1.156 654 HB2 SER 93 1HB SER 93 -7.781 -10.489 1.754 655 HB3 SER 93 2HB SER 93 -6.167 -10.999 1.262 656 HG SER 93 HG SER 93 -7.440 -11.404 3.602 657 H ALA 94 H ALA 94 -8.646 -8.295 1.815 658 HA ALA 94 HA ALA 94 -9.069 -7.491 4.575 659 HB1 ALA 94 3HB ALA 94 -9.408 -5.245 4.249 660 HB2 ALA 94 1HB ALA 94 -8.093 -5.547 3.112 661 HB3 ALA 94 2HB ALA 94 -9.754 -5.434 2.530 662 H TRP 95 H TRP 95 -11.369 -6.752 4.907 663 HA TRP 95 HA TRP 95 -13.180 -8.077 2.998 664 HB2 TRP 95 1HB TRP 95 -12.883 -9.477 5.002 665 HB3 TRP 95 2HB TRP 95 -13.388 -8.128 6.017 666 HD1 TRP 95 HD1 TRP 95 -15.951 -7.750 6.332 667 HE1 TRP 95 HE1 TRP 95 -18.054 -9.002 5.538 668 HE3 TRP 95 HE3 TRP 95 -13.790 -10.879 2.916 669 HZ2 TRP 95 HZ2 TRP 95 -18.711 -11.047 3.707 670 HZ3 TRP 95 HZ3 TRP 95 -15.226 -12.454 1.686 671 HH2 TRP 95 HH2 TRP 95 -17.635 -12.535 2.075 672 H VAL 96 H VAL 96 -14.776 -6.832 2.271 673 HA VAL 96 HA VAL 96 -15.532 -4.458 3.847 674 HB VAL 96 HB VAL 96 -15.385 -4.624 0.833 675 HG11 VAL 96 1HG1 VAL 96 -17.175 -3.167 1.627 676 HG12 VAL 96 2HG1 VAL 96 -16.027 -2.302 2.650 677 HG13 VAL 96 3HG1 VAL 96 -15.874 -2.230 0.894 678 HG21 VAL 96 3HG2 VAL 96 -13.159 -4.533 1.642 679 HG22 VAL 96 1HG2 VAL 96 -13.578 -2.891 1.154 680 HG23 VAL 96 2HG2 VAL 96 -13.576 -3.330 2.862 681 H THR 97 H THR 97 -17.669 -4.060 4.091 682 HA THR 97 HA THR 97 -19.554 -5.797 2.638 683 HB THR 97 HB THR 97 -19.980 -4.922 5.492 684 HG1 THR 97 HG1 THR 97 -19.047 -7.479 4.662 685 HG21 THR 97 3HG2 THR 97 -21.223 -7.071 3.772 686 HG22 THR 97 1HG2 THR 97 -21.989 -5.574 4.302 687 HG23 THR 97 2HG2 THR 97 -21.573 -6.817 5.482 688 H VAL 98 H VAL 98 -20.849 -4.618 1.404 689 HA VAL 98 HA VAL 98 -21.342 -1.817 2.076 690 HB VAL 98 HB VAL 98 -22.104 -3.332 -0.424 691 HG11 VAL 98 1HG1 VAL 98 -22.015 -0.778 -1.190 692 HG12 VAL 98 2HG1 VAL 98 -23.481 -1.531 -0.559 693 HG13 VAL 98 3HG1 VAL 98 -22.472 -0.541 0.496 694 HG21 VAL 98 3HG2 VAL 98 -20.188 -1.826 -1.341 695 HG22 VAL 98 1HG2 VAL 98 -19.655 -1.799 0.340 696 HG23 VAL 98 2HG2 VAL 98 -19.794 -3.334 -0.517 697 H HIS 99 H HIS 99 -23.037 -1.420 3.335 698 HA HIS 99 HA HIS 99 -25.126 -3.137 3.928 699 HB2 HIS 99 1HB HIS 99 -25.110 -0.112 3.973 700 HB3 HIS 99 2HB HIS 99 -26.323 -1.121 4.754 701 HD1 HIS 99 HD1 HIS 99 -25.226 -2.858 6.604 702 HD2 HIS 99 HD2 HIS 99 -23.046 0.532 5.597 703 HE1 HIS 99 HE1 HIS 99 -23.566 -2.548 8.467 704 HE2 HIS 99 HE2 HIS 99 -22.316 -0.442 7.879 Start of MODEL 9 1 H1 GLY 1 H GLY 1 17.818 16.022 -5.036 2 HA2 GLY 1 1HA GLY 1 18.862 17.634 -7.038 3 HA3 GLY 1 2HA GLY 1 19.718 17.196 -5.567 4 H SER 2 H SER 2 21.693 17.152 -6.710 5 HA SER 2 HA SER 2 22.021 14.749 -8.383 6 HB2 SER 2 1HB SER 2 23.142 17.515 -8.777 7 HB3 SER 2 2HB SER 2 23.931 16.102 -9.478 8 HG SER 2 HG SER 2 22.377 17.147 -10.873 9 H SER 3 H SER 3 22.630 13.607 -6.479 10 HA SER 3 HA SER 3 25.408 13.537 -6.015 11 HB2 SER 3 1HB SER 3 24.692 15.617 -4.695 12 HB3 SER 3 2HB SER 3 23.881 14.499 -3.598 13 HG SER 3 HG SER 3 26.033 15.016 -2.942 14 H GLY 4 H GLY 4 26.031 11.688 -4.918 15 HA2 GLY 4 1HA GLY 4 23.866 9.776 -4.449 16 HA3 GLY 4 2HA GLY 4 25.568 9.386 -4.652 17 H SER 5 H SER 5 23.741 8.477 -2.586 18 HA SER 5 HA SER 5 25.359 9.239 -0.284 19 HB2 SER 5 1HB SER 5 22.352 9.520 -0.391 20 HB3 SER 5 2HB SER 5 23.265 9.475 1.117 21 HG SER 5 HG SER 5 24.122 11.402 0.681 22 H SER 6 H SER 6 24.960 7.796 1.594 23 HA SER 6 HA SER 6 24.691 5.066 0.657 24 HB2 SER 6 1HB SER 6 25.592 4.422 2.806 25 HB3 SER 6 2HB SER 6 26.542 5.773 2.188 26 HG SER 6 HG SER 6 26.103 6.326 4.247 27 H GLY 7 H GLY 7 22.624 4.435 0.403 28 HA2 GLY 7 1HA GLY 7 20.891 4.595 2.781 29 HA3 GLY 7 2HA GLY 7 20.266 5.061 1.206 30 H MET 8 H MET 8 21.316 2.403 3.213 31 HA MET 8 HA MET 8 21.160 0.299 1.407 32 HB2 MET 8 1HB MET 8 20.807 -1.145 3.336 33 HB3 MET 8 2HB MET 8 22.018 0.076 3.703 34 HG2 MET 8 1HG MET 8 19.196 0.646 4.420 35 HG3 MET 8 2HG MET 8 20.084 -0.529 5.388 36 HE1 MET 8 3HE MET 8 21.857 0.938 7.723 37 HE2 MET 8 1HE MET 8 22.007 -0.301 6.477 38 HE3 MET 8 2HE MET 8 23.108 1.077 6.487 39 H GLU 9 H GLU 9 19.499 -1.246 0.987 40 HA GLU 9 HA GLU 9 16.842 -0.025 0.925 41 HB2 GLU 9 1HB GLU 9 18.101 -2.304 -0.588 42 HB3 GLU 9 2HB GLU 9 16.368 -2.010 -0.627 43 HG2 GLU 9 1HG GLU 9 16.600 -0.012 -1.771 44 HG3 GLU 9 2HG GLU 9 18.287 0.179 -1.295 45 H VAL 10 H VAL 10 14.951 -1.364 1.373 46 HA VAL 10 HA VAL 10 15.466 -3.541 3.282 47 HB VAL 10 HB VAL 10 13.350 -2.611 4.492 48 HG11 VAL 10 1HG1 VAL 10 15.807 -2.736 5.255 49 HG12 VAL 10 2HG1 VAL 10 15.848 -1.007 4.903 50 HG13 VAL 10 3HG1 VAL 10 14.719 -1.638 6.103 51 HG21 VAL 10 3HG2 VAL 10 12.925 -0.314 4.340 52 HG22 VAL 10 1HG2 VAL 10 14.430 -0.003 3.474 53 HG23 VAL 10 2HG2 VAL 10 13.102 -0.833 2.663 54 H ALA 11 H ALA 11 13.493 -4.862 3.706 55 HA ALA 11 HA ALA 11 12.193 -5.457 1.188 56 HB1 ALA 11 3HB ALA 11 11.179 -7.097 3.262 57 HB2 ALA 11 1HB ALA 11 12.302 -7.527 1.972 58 HB3 ALA 11 2HB ALA 11 12.917 -6.926 3.512 59 HA PRO 12 HA PRO 12 8.313 -3.547 1.940 60 HB2 PRO 12 1HB PRO 12 6.596 -5.336 0.834 61 HB3 PRO 12 2HB PRO 12 7.663 -4.307 -0.129 62 HG2 PRO 12 1HG PRO 12 8.007 -7.172 0.670 63 HG3 PRO 12 2HG PRO 12 8.317 -6.402 -0.898 64 HD2 PRO 12 1HD PRO 12 10.295 -6.970 0.863 65 HD3 PRO 12 2HD PRO 12 10.359 -5.570 -0.227 66 H SER 13 H SER 13 6.322 -3.691 3.120 67 HA SER 13 HA SER 13 5.500 -5.961 4.565 68 HB2 SER 13 1HB SER 13 7.462 -4.153 5.904 69 HB3 SER 13 2HB SER 13 6.136 -4.801 6.869 70 HG SER 13 HG SER 13 7.052 -6.693 6.831 71 H PHE 14 H PHE 14 3.650 -5.567 5.858 72 HA PHE 14 HA PHE 14 2.389 -2.978 5.287 73 HB2 PHE 14 1HB PHE 14 1.148 -5.626 6.063 74 HB3 PHE 14 2HB PHE 14 0.253 -4.145 5.738 75 HD1 PHE 14 HD2 PHE 14 0.684 -3.065 3.399 76 HD2 PHE 14 HD1 PHE 14 1.484 -7.134 4.359 77 HE1 PHE 14 HE2 PHE 14 0.594 -3.643 1.009 78 HE2 PHE 14 HE1 PHE 14 1.397 -7.718 1.971 79 HZ PHE 14 HZ PHE 14 0.951 -5.972 0.292 80 H SER 15 H SER 15 2.821 -1.614 6.920 81 HA SER 15 HA SER 15 3.105 -2.435 9.633 82 HB2 SER 15 1HB SER 15 4.225 -0.428 8.669 83 HB3 SER 15 2HB SER 15 2.650 0.358 8.555 84 HG SER 15 HG SER 15 2.480 0.224 10.809 85 H SER 16 H SER 16 0.483 -1.090 7.721 86 HA SER 16 HA SER 16 -1.329 -1.580 9.985 87 HB2 SER 16 1HB SER 16 -1.411 0.793 8.107 88 HB3 SER 16 2HB SER 16 -2.641 0.415 9.312 89 HG SER 16 HG SER 16 -1.318 1.811 10.327 90 H VAL 17 H VAL 17 -1.671 -3.626 8.889 91 HA VAL 17 HA VAL 17 -2.605 -3.914 6.277 92 HB VAL 17 HB VAL 17 -3.489 -6.074 6.953 93 HG11 VAL 17 1HG1 VAL 17 -0.852 -5.242 7.205 94 HG12 VAL 17 2HG1 VAL 17 -1.153 -6.205 8.653 95 HG13 VAL 17 3HG1 VAL 17 -1.426 -6.902 7.055 96 HG21 VAL 17 3HG2 VAL 17 -4.227 -4.917 9.264 97 HG22 VAL 17 1HG2 VAL 17 -4.072 -6.662 9.057 98 HG23 VAL 17 2HG2 VAL 17 -2.761 -5.741 9.795 99 H LEU 18 H LEU 18 -4.720 -4.260 5.448 100 HA LEU 18 HA LEU 18 -6.619 -2.359 6.230 101 HB2 LEU 18 1HB LEU 18 -6.952 -4.848 4.564 102 HB3 LEU 18 2HB LEU 18 -8.154 -3.566 4.700 103 HG LEU 18 HG LEU 18 -5.400 -2.920 3.730 104 HD11 LEU 18 1HD1 LEU 18 -6.317 -4.915 2.471 105 HD12 LEU 18 2HD1 LEU 18 -5.914 -3.496 1.505 106 HD13 LEU 18 3HD1 LEU 18 -7.597 -3.845 1.900 107 HD21 LEU 18 3HD2 LEU 18 -6.778 -1.038 4.141 108 HD22 LEU 18 1HD2 LEU 18 -8.161 -1.787 3.342 109 HD23 LEU 18 2HD2 LEU 18 -6.765 -1.275 2.393 110 H LYS 19 H LYS 19 -8.735 -2.633 7.108 111 HA LYS 19 HA LYS 19 -9.132 -5.069 8.700 112 HB2 LYS 19 1HB LYS 19 -10.083 -3.456 10.494 113 HB3 LYS 19 2HB LYS 19 -8.341 -3.666 10.378 114 HG2 LYS 19 1HG LYS 19 -8.493 -1.593 8.795 115 HG3 LYS 19 2HG LYS 19 -10.022 -1.323 9.634 116 HD2 LYS 19 1HD LYS 19 -8.514 -0.113 10.918 117 HD3 LYS 19 2HD LYS 19 -8.616 -1.646 11.787 118 HE2 LYS 19 1HE LYS 19 -6.516 -1.150 9.699 119 HE3 LYS 19 2HE LYS 19 -6.291 -0.645 11.373 120 HZ1 LYS 19 3HZ LYS 19 -6.286 -3.314 10.226 121 HZ2 LYS 19 1HZ LYS 19 -7.049 -3.162 11.728 122 HZ3 LYS 19 2HZ LYS 19 -5.431 -2.703 11.551 123 H ASP 20 H ASP 20 -11.253 -5.694 8.997 124 HA ASP 20 HA ASP 20 -13.118 -5.402 7.105 125 HB2 ASP 20 1HB ASP 20 -14.054 -5.367 9.960 126 HB3 ASP 20 2HB ASP 20 -14.727 -6.239 8.585 127 H CYS 21 H CYS 21 -14.793 -4.048 6.541 128 HA CYS 21 HA CYS 21 -15.265 -1.630 8.084 129 HB2 CYS 21 1HB CYS 21 -13.998 -1.670 5.368 130 HB3 CYS 21 2HB CYS 21 -15.050 -0.333 5.818 131 HG CYS 21 HG CYS 21 -13.449 0.843 7.536 132 H ALA 22 H ALA 22 -17.149 -0.434 7.345 133 HA ALA 22 HA ALA 22 -18.955 -2.024 5.649 134 HB1 ALA 22 3HB ALA 22 -20.046 -2.515 7.552 135 HB2 ALA 22 1HB ALA 22 -19.314 -1.179 8.440 136 HB3 ALA 22 2HB ALA 22 -20.695 -0.884 7.383 137 H VAL 23 H VAL 23 -20.536 -0.849 4.498 138 HA VAL 23 HA VAL 23 -20.493 2.052 4.618 139 HB VAL 23 HB VAL 23 -18.654 1.167 2.995 140 HG11 VAL 23 1HG1 VAL 23 -19.363 0.643 0.780 141 HG12 VAL 23 2HG1 VAL 23 -20.241 -0.422 1.880 142 HG13 VAL 23 3HG1 VAL 23 -21.047 0.980 1.176 143 HG21 VAL 23 3HG2 VAL 23 -20.444 3.119 1.650 144 HG22 VAL 23 1HG2 VAL 23 -19.843 3.517 3.259 145 HG23 VAL 23 2HG2 VAL 23 -18.708 3.196 1.948 146 H ILE 24 H ILE 24 -22.221 3.040 3.438 147 HA ILE 24 HA ILE 24 -24.488 1.222 3.076 148 HB ILE 24 HB ILE 24 -24.304 4.184 3.555 149 HG12 ILE 24 1HG1 ILE 24 -25.950 2.100 4.987 150 HG13 ILE 24 2HG1 ILE 24 -24.283 2.451 5.431 151 HG21 ILE 24 1HG2 ILE 24 -26.728 4.325 3.286 152 HG22 ILE 24 2HG2 ILE 24 -25.944 3.847 1.781 153 HG23 ILE 24 3HG2 ILE 24 -26.772 2.640 2.765 154 HD11 ILE 24 3HD1 ILE 24 -26.218 3.603 6.696 155 HD12 ILE 24 1HD1 ILE 24 -24.803 4.547 6.232 156 HD13 ILE 24 2HD1 ILE 24 -26.286 4.657 5.283 157 H GLU 25 H GLU 25 -25.864 1.374 1.252 158 HA GLU 25 HA GLU 25 -24.582 1.519 -1.215 159 HB2 GLU 25 1HB GLU 25 -26.772 0.358 -0.651 160 HB3 GLU 25 2HB GLU 25 -27.542 1.930 -0.814 161 HG2 GLU 25 1HG GLU 25 -26.404 1.960 -3.144 162 HG3 GLU 25 2HG GLU 25 -26.280 0.218 -2.906 163 H GLY 26 H GLY 26 -23.691 3.271 -2.087 164 HA2 GLY 26 1HA GLY 26 -24.060 5.296 -3.339 165 HA3 GLY 26 2HA GLY 26 -25.302 5.736 -2.177 166 H GLN 27 H GLN 27 -23.069 4.583 -0.214 167 HA GLN 27 HA GLN 27 -22.073 7.207 0.455 168 HB2 GLN 27 1HB GLN 27 -21.979 4.504 1.727 169 HB3 GLN 27 2HB GLN 27 -20.833 5.731 2.250 170 HG2 GLN 27 1HG GLN 27 -22.850 7.239 2.599 171 HG3 GLN 27 2HG GLN 27 -23.825 5.780 2.427 172 HE21 GLN 27 1HE2 GLN 27 -24.271 6.815 4.692 173 HE22 GLN 27 2HE2 GLN 27 -23.388 6.097 5.991 174 H ASP 28 H ASP 28 -19.617 7.030 1.342 175 HA ASP 28 HA ASP 28 -18.006 5.954 -0.877 176 HB2 ASP 28 1HB ASP 28 -18.000 8.279 -1.267 177 HB3 ASP 28 2HB ASP 28 -17.868 8.652 0.449 178 H PHE 29 H PHE 29 -15.790 5.449 -0.347 179 HA PHE 29 HA PHE 29 -14.898 5.438 2.366 180 HB2 PHE 29 1HB PHE 29 -14.999 3.134 2.871 181 HB3 PHE 29 2HB PHE 29 -16.593 3.525 2.234 182 HD1 PHE 29 HD2 PHE 29 -13.283 2.195 1.177 183 HD2 PHE 29 HD1 PHE 29 -17.490 2.249 0.531 184 HE1 PHE 29 HE2 PHE 29 -13.046 0.408 -0.498 185 HE2 PHE 29 HE1 PHE 29 -17.259 0.462 -1.144 186 HZ PHE 29 HZ PHE 29 -15.035 -0.460 -1.662 187 H VAL 30 H VAL 30 -12.730 5.356 2.426 188 HA VAL 30 HA VAL 30 -11.324 4.403 0.015 189 HB VAL 30 HB VAL 30 -11.193 6.823 0.096 190 HG11 VAL 30 1HG1 VAL 30 -11.408 6.684 2.739 191 HG12 VAL 30 2HG1 VAL 30 -9.653 6.835 2.632 192 HG13 VAL 30 3HG1 VAL 30 -10.691 8.076 1.928 193 HG21 VAL 30 3HG2 VAL 30 -8.554 5.675 0.994 194 HG22 VAL 30 1HG2 VAL 30 -9.219 5.478 -0.628 195 HG23 VAL 30 2HG2 VAL 30 -8.815 7.087 -0.030 196 H LEU 31 H LEU 31 -10.631 2.439 0.698 197 HA LEU 31 HA LEU 31 -9.820 1.744 3.272 198 HB2 LEU 31 1HB LEU 31 -8.957 0.593 0.623 199 HB3 LEU 31 2HB LEU 31 -8.667 -0.161 2.189 200 HG LEU 31 HG LEU 31 -11.468 0.463 1.361 201 HD11 LEU 31 1HD1 LEU 31 -11.486 -1.928 0.443 202 HD12 LEU 31 2HD1 LEU 31 -9.739 -1.742 0.296 203 HD13 LEU 31 3HD1 LEU 31 -10.817 -0.655 -0.579 204 HD21 LEU 31 3HD2 LEU 31 -11.989 -1.406 2.769 205 HD22 LEU 31 1HD2 LEU 31 -10.893 -0.337 3.646 206 HD23 LEU 31 2HD2 LEU 31 -10.282 -1.826 2.924 207 H GLN 32 H GLN 32 -8.241 2.648 4.408 208 HA GLN 32 HA GLN 32 -5.809 3.531 3.018 209 HB2 GLN 32 1HB GLN 32 -7.057 5.206 4.377 210 HB3 GLN 32 2HB GLN 32 -6.743 4.230 5.805 211 HG2 GLN 32 1HG GLN 32 -4.301 4.507 5.355 212 HG3 GLN 32 2HG GLN 32 -4.730 5.654 4.086 213 HE21 GLN 32 1HE2 GLN 32 -3.175 6.708 5.845 214 HE22 GLN 32 2HE2 GLN 32 -4.008 7.702 6.986 215 H CYS 33 H CYS 33 -3.874 2.630 3.423 216 HA CYS 33 HA CYS 33 -3.538 0.916 5.763 217 HB2 CYS 33 1HB CYS 33 -2.514 -0.867 4.312 218 HB3 CYS 33 2HB CYS 33 -4.254 -0.682 4.132 219 HG CYS 33 HG CYS 33 -4.219 0.467 1.682 220 H SER 34 H SER 34 -1.259 0.284 6.095 221 HA SER 34 HA SER 34 0.548 2.370 5.065 222 HB2 SER 34 1HB SER 34 0.113 2.475 7.506 223 HB3 SER 34 2HB SER 34 0.754 0.840 7.671 224 HG SER 34 HG SER 34 2.078 3.196 7.484 225 H VAL 35 H VAL 35 2.043 1.689 3.696 226 HA VAL 35 HA VAL 35 3.086 -1.052 3.988 227 HB VAL 35 HB VAL 35 2.803 0.338 1.331 228 HG11 VAL 35 1HG1 VAL 35 2.709 -2.432 1.049 229 HG12 VAL 35 2HG1 VAL 35 4.068 -1.370 0.673 230 HG13 VAL 35 3HG1 VAL 35 3.959 -2.138 2.258 231 HG21 VAL 35 3HG2 VAL 35 0.664 -0.464 2.872 232 HG22 VAL 35 1HG2 VAL 35 0.661 -0.257 1.121 233 HG23 VAL 35 2HG2 VAL 35 0.947 -1.850 1.820 234 H ARG 36 H ARG 36 5.145 -0.966 4.576 235 HA ARG 36 HA ARG 36 6.774 1.339 3.808 236 HB2 ARG 36 1HB ARG 36 7.137 -0.835 5.864 237 HB3 ARG 36 2HB ARG 36 8.419 0.295 5.450 238 HG2 ARG 36 1HG ARG 36 5.771 1.405 6.202 239 HG3 ARG 36 2HG ARG 36 6.786 0.721 7.474 240 HD2 ARG 36 1HD ARG 36 7.542 2.916 5.548 241 HD3 ARG 36 2HD ARG 36 7.197 3.100 7.268 242 HE ARG 36 HE ARG 36 9.253 1.277 7.109 243 HH11 ARG 36 2HH1 ARG 36 8.720 4.575 6.131 244 HH12 ARG 36 1HH1 ARG 36 10.385 5.029 6.292 245 HH21 ARG 36 2HH2 ARG 36 11.447 1.861 7.325 246 HH22 ARG 36 1HH2 ARG 36 11.935 3.484 6.970 247 H GLY 37 H GLY 37 9.253 0.565 3.631 248 HA2 GLY 37 1HA GLY 37 10.435 -1.511 2.700 249 HA3 GLY 37 2HA GLY 37 9.245 -1.377 1.414 250 H THR 38 H THR 38 11.895 -1.361 0.786 251 HA THR 38 HA THR 38 12.150 1.197 -0.508 252 HB THR 38 HB THR 38 14.213 0.367 1.540 253 HG1 THR 38 HG1 THR 38 13.646 2.373 2.475 254 HG21 THR 38 3HG2 THR 38 14.739 1.563 -0.876 255 HG22 THR 38 1HG2 THR 38 15.742 1.692 0.568 256 HG23 THR 38 2HG2 THR 38 14.555 2.944 0.205 257 HA PRO 39 HA PRO 39 12.915 2.067 -2.122 258 HB2 PRO 39 1HB PRO 39 12.184 1.757 -4.718 259 HB3 PRO 39 2HB PRO 39 13.847 2.094 -4.222 260 HG2 PRO 39 1HG PRO 39 12.583 -0.517 -4.960 261 HG3 PRO 39 2HG PRO 39 14.171 0.126 -5.417 262 HD2 PRO 39 1HD PRO 39 13.851 -1.699 -3.442 263 HD3 PRO 39 2HD PRO 39 15.129 -0.467 -3.406 264 H VAL 40 H VAL 40 10.783 2.886 -3.049 265 HA VAL 40 HA VAL 40 8.637 1.797 -1.701 266 HB VAL 40 HB VAL 40 8.548 3.444 -4.233 267 HG11 VAL 40 1HG1 VAL 40 6.433 2.684 -2.242 268 HG12 VAL 40 2HG1 VAL 40 6.293 4.130 -3.245 269 HG13 VAL 40 3HG1 VAL 40 6.399 2.538 -3.999 270 HG21 VAL 40 3HG2 VAL 40 9.370 4.076 -1.578 271 HG22 VAL 40 1HG2 VAL 40 9.263 5.135 -2.985 272 HG23 VAL 40 2HG2 VAL 40 7.868 4.933 -1.925 273 HA PRO 41 HA PRO 41 7.786 -1.844 -4.114 274 HB2 PRO 41 1HB PRO 41 5.577 -2.596 -2.727 275 HB3 PRO 41 2HB PRO 41 7.220 -2.839 -2.122 276 HG2 PRO 41 1HG PRO 41 5.255 -0.682 -1.453 277 HG3 PRO 41 2HG PRO 41 6.323 -1.596 -0.373 278 HD2 PRO 41 1HD PRO 41 6.901 0.912 -1.213 279 HD3 PRO 41 2HD PRO 41 8.158 -0.298 -0.883 280 H ARG 42 H ARG 42 5.807 -2.773 -5.212 281 HA ARG 42 HA ARG 42 4.432 -0.614 -6.595 282 HB2 ARG 42 1HB ARG 42 4.924 -3.508 -7.127 283 HB3 ARG 42 2HB ARG 42 3.535 -2.746 -7.889 284 HG2 ARG 42 1HG ARG 42 5.298 -2.614 -9.443 285 HG3 ARG 42 2HG ARG 42 5.124 -0.995 -8.762 286 HD2 ARG 42 1HD ARG 42 7.046 -1.232 -7.432 287 HD3 ARG 42 2HD ARG 42 7.081 -2.981 -7.650 288 HE ARG 42 HE ARG 42 7.379 -1.624 -10.129 289 HH11 ARG 42 2HH1 ARG 42 9.088 -2.522 -7.232 290 HH12 ARG 42 1HH1 ARG 42 10.643 -2.530 -7.995 291 HH21 ARG 42 2HH2 ARG 42 9.421 -1.632 -11.146 292 HH22 ARG 42 1HH2 ARG 42 10.831 -2.023 -10.221 293 H ILE 43 H ILE 43 2.288 -0.199 -6.494 294 HA ILE 43 HA ILE 43 0.756 -1.684 -4.481 295 HB ILE 43 HB ILE 43 -0.101 0.907 -5.739 296 HG12 ILE 43 1HG1 ILE 43 2.095 1.378 -4.889 297 HG13 ILE 43 2HG1 ILE 43 0.930 2.022 -3.737 298 HG21 ILE 43 1HG2 ILE 43 -1.833 -0.153 -4.519 299 HG22 ILE 43 2HG2 ILE 43 -0.752 -0.530 -3.179 300 HG23 ILE 43 3HG2 ILE 43 -1.217 1.142 -3.492 301 HD11 ILE 43 3HD1 ILE 43 3.047 0.190 -3.294 302 HD12 ILE 43 1HD1 ILE 43 1.916 0.878 -2.129 303 HD13 ILE 43 2HD1 ILE 43 1.522 -0.629 -2.958 304 H THR 44 H THR 44 -0.450 -3.271 -5.281 305 HA THR 44 HA THR 44 -1.994 -2.748 -7.734 306 HB THR 44 HB THR 44 -0.682 -5.361 -6.961 307 HG1 THR 44 HG1 THR 44 0.620 -3.638 -7.981 308 HG21 THR 44 3HG2 THR 44 -1.622 -6.290 -8.969 309 HG22 THR 44 1HG2 THR 44 -2.326 -4.737 -9.414 310 HG23 THR 44 2HG2 THR 44 -2.935 -5.611 -8.009 311 H TRP 45 H TRP 45 -4.063 -2.613 -7.179 312 HA TRP 45 HA TRP 45 -5.062 -4.185 -4.922 313 HB2 TRP 45 1HB TRP 45 -6.326 -1.918 -6.478 314 HB3 TRP 45 2HB TRP 45 -7.079 -2.744 -5.116 315 HD1 TRP 45 HD1 TRP 45 -3.960 -0.573 -5.862 316 HE1 TRP 45 HE1 TRP 45 -3.364 0.724 -3.720 317 HE3 TRP 45 HE3 TRP 45 -7.419 -2.605 -2.694 318 HZ2 TRP 45 HZ2 TRP 45 -4.244 0.866 -1.042 319 HZ3 TRP 45 HZ3 TRP 45 -7.476 -1.835 -0.358 320 HH2 TRP 45 HH2 TRP 45 -5.920 -0.135 0.449 321 H LEU 46 H LEU 46 -6.463 -5.834 -5.134 322 HA LEU 46 HA LEU 46 -7.684 -6.305 -7.766 323 HB2 LEU 46 1HB LEU 46 -6.613 -8.560 -6.108 324 HB3 LEU 46 2HB LEU 46 -7.064 -8.558 -7.812 325 HG LEU 46 HG LEU 46 -5.036 -6.866 -7.977 326 HD11 LEU 46 1HD1 LEU 46 -3.230 -7.845 -6.424 327 HD12 LEU 46 2HD1 LEU 46 -4.586 -8.362 -5.424 328 HD13 LEU 46 3HD1 LEU 46 -4.350 -6.650 -5.770 329 HD21 LEU 46 3HD2 LEU 46 -3.907 -9.509 -7.741 330 HD22 LEU 46 1HD2 LEU 46 -4.186 -8.529 -9.181 331 HD23 LEU 46 2HD2 LEU 46 -5.473 -9.558 -8.552 332 H LEU 47 H LEU 47 -9.735 -7.115 -7.740 333 HA LEU 47 HA LEU 47 -10.914 -7.646 -5.092 334 HB2 LEU 47 1HB LEU 47 -11.598 -5.478 -6.117 335 HB3 LEU 47 2HB LEU 47 -12.301 -6.387 -7.453 336 HG LEU 47 HG LEU 47 -13.761 -7.519 -5.690 337 HD11 LEU 47 1HD1 LEU 47 -12.841 -7.038 -3.637 338 HD12 LEU 47 2HD1 LEU 47 -14.123 -5.832 -3.737 339 HD13 LEU 47 3HD1 LEU 47 -12.455 -5.374 -4.078 340 HD21 LEU 47 3HD2 LEU 47 -14.155 -5.355 -7.269 341 HD22 LEU 47 1HD2 LEU 47 -14.504 -4.676 -5.679 342 HD23 LEU 47 2HD2 LEU 47 -15.398 -6.084 -6.251 343 H ASN 48 H ASN 48 -11.635 -9.650 -4.876 344 HA ASN 48 HA ASN 48 -12.650 -11.645 -5.324 345 HB2 ASN 48 1HB ASN 48 -13.284 -10.652 -8.100 346 HB3 ASN 48 2HB ASN 48 -14.137 -11.871 -7.157 347 HD21 ASN 48 1HD2 ASN 48 -14.075 -10.347 -4.707 348 HD22 ASN 48 2HD2 ASN 48 -15.221 -9.067 -4.894 349 H GLY 49 H GLY 49 -9.861 -11.142 -5.818 350 HA2 GLY 49 1HA GLY 49 -8.158 -12.595 -6.480 351 HA3 GLY 49 2HA GLY 49 -9.319 -13.468 -7.469 352 H GLN 50 H GLN 50 -10.216 -10.907 -8.720 353 HA GLN 50 HA GLN 50 -8.056 -10.756 -10.690 354 HB2 GLN 50 1HB GLN 50 -9.742 -9.776 -12.181 355 HB3 GLN 50 2HB GLN 50 -10.267 -11.330 -11.547 356 HG2 GLN 50 1HG GLN 50 -11.890 -10.392 -10.211 357 HG3 GLN 50 2HG GLN 50 -11.094 -8.819 -10.169 358 HE21 GLN 50 1HE2 GLN 50 -13.762 -10.231 -11.196 359 HE22 GLN 50 2HE2 GLN 50 -14.084 -9.335 -12.637 360 HA PRO 51 HA PRO 51 -6.851 -6.690 -9.548 361 HB2 PRO 51 1HB PRO 51 -6.024 -5.729 -11.949 362 HB3 PRO 51 2HB PRO 51 -5.112 -6.932 -11.030 363 HG2 PRO 51 1HG PRO 51 -6.967 -7.325 -13.346 364 HG3 PRO 51 2HG PRO 51 -5.393 -8.079 -13.033 365 HD2 PRO 51 1HD PRO 51 -7.737 -9.343 -12.544 366 HD3 PRO 51 2HD PRO 51 -6.282 -9.619 -11.566 367 H ILE 52 H ILE 52 -7.544 -4.557 -9.553 368 HA ILE 52 HA ILE 52 -10.164 -4.115 -10.737 369 HB ILE 52 HB ILE 52 -8.587 -2.333 -8.877 370 HG12 ILE 52 1HG1 ILE 52 -10.756 -4.367 -8.327 371 HG13 ILE 52 2HG1 ILE 52 -9.086 -4.427 -7.773 372 HG21 ILE 52 1HG2 ILE 52 -11.042 -1.528 -8.457 373 HG22 ILE 52 2HG2 ILE 52 -10.119 -0.906 -9.823 374 HG23 ILE 52 3HG2 ILE 52 -11.313 -2.179 -10.073 375 HD11 ILE 52 3HD1 ILE 52 -11.351 -2.763 -6.803 376 HD12 ILE 52 1HD1 ILE 52 -10.159 -3.693 -5.894 377 HD13 ILE 52 2HD1 ILE 52 -9.703 -2.158 -6.635 378 H GLN 53 H GLN 53 -10.241 -3.347 -12.741 379 HA GLN 53 HA GLN 53 -8.096 -1.956 -13.981 380 HB2 GLN 53 1HB GLN 53 -9.628 -3.324 -15.287 381 HB3 GLN 53 2HB GLN 53 -10.977 -2.293 -14.831 382 HG2 GLN 53 1HG GLN 53 -10.348 -1.720 -17.043 383 HG3 GLN 53 2HG GLN 53 -9.831 -0.406 -15.986 384 HE21 GLN 53 1HE2 GLN 53 -8.730 -3.254 -17.729 385 HE22 GLN 53 2HE2 GLN 53 -7.090 -2.741 -17.904 386 H TYR 54 H TYR 54 -11.077 -0.962 -12.415 387 HA TYR 54 HA TYR 54 -10.457 1.847 -13.006 388 HB2 TYR 54 1HB TYR 54 -12.776 2.293 -12.221 389 HB3 TYR 54 2HB TYR 54 -12.711 1.207 -13.605 390 HD1 TYR 54 HD2 TYR 54 -13.029 -1.260 -13.232 391 HD2 TYR 54 HD1 TYR 54 -13.758 1.614 -10.180 392 HE1 TYR 54 HE2 TYR 54 -14.363 -2.917 -11.999 393 HE2 TYR 54 HE1 TYR 54 -15.094 -0.036 -8.938 394 HH TYR 54 HH TYR 54 -15.193 -3.379 -9.847 395 H ALA 55 H ALA 55 -8.779 0.678 -11.183 396 HA ALA 55 HA ALA 55 -9.752 1.522 -8.546 397 HB1 ALA 55 3HB ALA 55 -7.326 0.438 -8.044 398 HB2 ALA 55 1HB ALA 55 -8.836 -0.474 -8.060 399 HB3 ALA 55 2HB ALA 55 -7.796 -0.462 -9.486 400 H ARG 56 H ARG 56 -9.500 3.705 -8.475 401 HA ARG 56 HA ARG 56 -7.087 4.966 -9.444 402 HB2 ARG 56 1HB ARG 56 -9.630 5.952 -8.190 403 HB3 ARG 56 2HB ARG 56 -8.239 7.017 -8.336 404 HG2 ARG 56 1HG ARG 56 -8.240 6.747 -10.739 405 HG3 ARG 56 2HG ARG 56 -9.570 5.593 -10.629 406 HD2 ARG 56 1HD ARG 56 -11.107 7.231 -10.037 407 HD3 ARG 56 2HD ARG 56 -9.854 8.347 -9.497 408 HE ARG 56 HE ARG 56 -9.645 7.823 -12.283 409 HH11 ARG 56 2HH1 ARG 56 -11.460 9.629 -9.924 410 HH12 ARG 56 1HH1 ARG 56 -11.907 10.881 -11.034 411 HH21 ARG 56 2HH2 ARG 56 -10.226 9.467 -13.754 412 HH22 ARG 56 1HH2 ARG 56 -11.205 10.788 -13.213 413 H SER 57 H SER 57 -6.298 3.180 -7.600 414 HA SER 57 HA SER 57 -6.195 4.112 -4.938 415 HB2 SER 57 1HB SER 57 -4.472 2.430 -4.597 416 HB3 SER 57 2HB SER 57 -5.746 1.761 -5.616 417 HG SER 57 HG SER 57 -4.423 2.152 -7.421 418 H THR 58 H THR 58 -4.676 5.285 -3.827 419 HA THR 58 HA THR 58 -2.451 6.441 -5.355 420 HB THR 58 HB THR 58 -2.934 8.632 -4.104 421 HG1 THR 58 HG1 THR 58 -5.555 7.517 -4.018 422 HG21 THR 58 3HG2 THR 58 -5.008 8.948 -5.834 423 HG22 THR 58 1HG2 THR 58 -4.218 7.522 -6.505 424 HG23 THR 58 2HG2 THR 58 -3.308 9.018 -6.294 425 H CYS 59 H CYS 59 -0.606 6.126 -4.313 426 HA CYS 59 HA CYS 59 -0.673 5.587 -1.435 427 HB2 CYS 59 1HB CYS 59 1.520 4.591 -1.724 428 HB3 CYS 59 2HB CYS 59 0.414 3.925 -2.920 429 HG CYS 59 HG CYS 59 2.653 4.145 -4.375 430 H GLU 60 H GLU 60 0.456 6.776 0.044 431 HA GLU 60 HA GLU 60 1.958 9.100 -0.954 432 HB2 GLU 60 1HB GLU 60 -0.351 9.029 0.923 433 HB3 GLU 60 2HB GLU 60 0.944 10.165 1.271 434 HG2 GLU 60 1HG GLU 60 0.592 11.360 -0.693 435 HG3 GLU 60 2HG GLU 60 -0.312 10.045 -1.442 436 H ALA 61 H ALA 61 3.989 8.564 -0.415 437 HA ALA 61 HA ALA 61 5.822 8.070 0.840 438 HB1 ALA 61 3HB ALA 61 4.497 9.925 2.236 439 HB2 ALA 61 1HB ALA 61 4.453 8.606 3.406 440 HB3 ALA 61 2HB ALA 61 6.001 9.194 2.798 441 H GLY 62 H GLY 62 3.977 5.945 0.236 442 HA2 GLY 62 1HA GLY 62 4.327 3.646 0.734 443 HA3 GLY 62 2HA GLY 62 4.770 4.098 2.374 444 H VAL 63 H VAL 63 2.196 5.939 1.928 445 HA VAL 63 HA VAL 63 0.426 4.023 3.224 446 HB VAL 63 HB VAL 63 0.073 6.987 2.750 447 HG11 VAL 63 1HG1 VAL 63 -2.001 5.473 3.013 448 HG12 VAL 63 2HG1 VAL 63 -1.495 5.338 4.698 449 HG13 VAL 63 3HG1 VAL 63 -1.875 6.919 4.015 450 HG21 VAL 63 3HG2 VAL 63 1.907 6.540 4.267 451 HG22 VAL 63 1HG2 VAL 63 0.530 7.176 5.167 452 HG23 VAL 63 2HG2 VAL 63 0.895 5.451 5.214 453 H ALA 64 H ALA 64 -0.284 2.699 1.568 454 HA ALA 64 HA ALA 64 -1.321 3.728 -0.891 455 HB1 ALA 64 3HB ALA 64 -1.042 1.620 -1.519 456 HB2 ALA 64 1HB ALA 64 -0.604 1.195 0.136 457 HB3 ALA 64 2HB ALA 64 -2.287 1.096 -0.384 458 H GLU 65 H GLU 65 -3.400 4.106 -1.499 459 HA GLU 65 HA GLU 65 -5.558 3.501 0.381 460 HB2 GLU 65 1HB GLU 65 -5.061 6.253 -0.770 461 HB3 GLU 65 2HB GLU 65 -6.467 5.782 0.175 462 HG2 GLU 65 1HG GLU 65 -4.703 5.119 1.967 463 HG3 GLU 65 2HG GLU 65 -3.649 6.198 1.054 464 H LEU 66 H LEU 66 -7.614 3.352 -0.561 465 HA LEU 66 HA LEU 66 -7.727 3.566 -3.488 466 HB2 LEU 66 1HB LEU 66 -7.302 1.226 -2.882 467 HB3 LEU 66 2HB LEU 66 -8.741 1.235 -1.866 468 HG LEU 66 HG LEU 66 -10.046 1.741 -3.995 469 HD11 LEU 66 1HD1 LEU 66 -7.476 0.793 -5.254 470 HD12 LEU 66 2HD1 LEU 66 -8.135 2.425 -5.361 471 HD13 LEU 66 3HD1 LEU 66 -9.005 1.074 -6.087 472 HD21 LEU 66 3HD2 LEU 66 -9.989 -0.654 -4.696 473 HD22 LEU 66 1HD2 LEU 66 -10.194 -0.410 -2.961 474 HD23 LEU 66 2HD2 LEU 66 -8.623 -0.887 -3.605 475 H HIS 67 H HIS 67 -9.045 5.332 -3.522 476 HA HIS 67 HA HIS 67 -11.327 5.609 -1.827 477 HB2 HIS 67 1HB HIS 67 -10.674 7.101 -4.376 478 HB3 HIS 67 2HB HIS 67 -11.823 7.600 -3.138 479 HD1 HIS 67 HD1 HIS 67 -10.930 9.206 -1.486 480 HD2 HIS 67 HD2 HIS 67 -7.910 6.955 -3.240 481 HE1 HIS 67 HE1 HIS 67 -8.781 10.125 -0.559 482 HE2 HIS 67 HE2 HIS 67 -6.964 8.804 -1.699 483 H ILE 68 H ILE 68 -13.266 4.726 -2.069 484 HA ILE 68 HA ILE 68 -14.099 3.871 -4.762 485 HB ILE 68 HB ILE 68 -14.709 2.413 -2.189 486 HG12 ILE 68 1HG1 ILE 68 -12.314 2.277 -2.990 487 HG13 ILE 68 2HG1 ILE 68 -13.154 0.734 -2.874 488 HG21 ILE 68 1HG2 ILE 68 -15.602 2.116 -5.004 489 HG22 ILE 68 2HG2 ILE 68 -15.322 0.649 -4.067 490 HG23 ILE 68 3HG2 ILE 68 -16.485 1.848 -3.501 491 HD11 ILE 68 3HD1 ILE 68 -11.808 0.869 -4.890 492 HD12 ILE 68 1HD1 ILE 68 -13.524 0.748 -5.279 493 HD13 ILE 68 2HD1 ILE 68 -12.699 2.303 -5.400 494 H GLN 69 H GLN 69 -15.497 5.497 -5.235 495 HA GLN 69 HA GLN 69 -17.457 6.357 -3.269 496 HB2 GLN 69 1HB GLN 69 -18.092 8.034 -4.925 497 HB3 GLN 69 2HB GLN 69 -16.352 8.039 -4.673 498 HG2 GLN 69 1HG GLN 69 -16.133 6.633 -6.724 499 HG3 GLN 69 2HG GLN 69 -17.857 6.876 -7.001 500 HE21 GLN 69 1HE2 GLN 69 -16.599 7.690 -9.026 501 HE22 GLN 69 2HE2 GLN 69 -16.318 9.394 -9.063 502 H ASP 70 H ASP 70 -19.756 6.504 -3.874 503 HA ASP 70 HA ASP 70 -21.709 5.428 -4.348 504 HB2 ASP 70 1HB ASP 70 -20.165 5.375 -6.903 505 HB3 ASP 70 2HB ASP 70 -21.666 4.457 -6.815 506 H ALA 71 H ALA 71 -20.329 3.874 -2.727 507 HA ALA 71 HA ALA 71 -19.464 1.377 -3.522 508 HB1 ALA 71 3HB ALA 71 -21.056 1.453 -1.036 509 HB2 ALA 71 1HB ALA 71 -19.422 0.854 -1.323 510 HB3 ALA 71 2HB ALA 71 -19.708 2.585 -1.142 511 H LEU 72 H LEU 72 -20.621 0.350 -5.094 512 HA LEU 72 HA LEU 72 -23.482 -0.008 -4.834 513 HB2 LEU 72 1HB LEU 72 -21.516 -1.038 -6.874 514 HB3 LEU 72 2HB LEU 72 -23.262 -1.260 -6.958 515 HG LEU 72 HG LEU 72 -21.719 1.313 -7.220 516 HD11 LEU 72 1HD1 LEU 72 -21.718 0.231 -9.282 517 HD12 LEU 72 2HD1 LEU 72 -23.098 1.323 -9.384 518 HD13 LEU 72 3HD1 LEU 72 -23.353 -0.393 -9.064 519 HD21 LEU 72 3HD2 LEU 72 -23.660 1.790 -5.881 520 HD22 LEU 72 1HD2 LEU 72 -24.693 0.881 -6.984 521 HD23 LEU 72 2HD2 LEU 72 -23.935 2.381 -7.520 522 HA PRO 73 HA PRO 73 -23.469 -3.931 -2.863 523 HB2 PRO 73 1HB PRO 73 -25.653 -5.084 -3.990 524 HB3 PRO 73 2HB PRO 73 -25.761 -3.774 -2.808 525 HG2 PRO 73 1HG PRO 73 -25.954 -3.653 -5.793 526 HG3 PRO 73 2HG PRO 73 -26.940 -2.825 -4.573 527 HD2 PRO 73 1HD PRO 73 -24.925 -1.594 -5.898 528 HD3 PRO 73 2HD PRO 73 -25.359 -1.185 -4.226 529 H GLU 74 H GLU 74 -22.633 -3.551 -6.037 530 HA GLU 74 HA GLU 74 -22.129 -6.435 -6.377 531 HB2 GLU 74 1HB GLU 74 -22.404 -6.235 -8.715 532 HB3 GLU 74 2HB GLU 74 -23.755 -5.361 -8.007 533 HG2 GLU 74 1HG GLU 74 -22.886 -3.290 -8.584 534 HG3 GLU 74 2HG GLU 74 -21.254 -3.923 -8.788 535 H ASP 75 H ASP 75 -20.554 -4.095 -5.195 536 HA ASP 75 HA ASP 75 -18.129 -4.452 -6.834 537 HB2 ASP 75 1HB ASP 75 -19.182 -2.092 -6.597 538 HB3 ASP 75 2HB ASP 75 -18.523 -2.133 -4.963 539 H HIS 76 H HIS 76 -19.557 -4.580 -3.671 540 HA HIS 76 HA HIS 76 -17.218 -4.726 -2.116 541 HB2 HIS 76 1HB HIS 76 -18.597 -5.272 -0.345 542 HB3 HIS 76 2HB HIS 76 -19.749 -4.507 -1.435 543 HD1 HIS 76 HD1 HIS 76 -20.333 -6.850 -3.327 544 HD2 HIS 76 HD2 HIS 76 -20.130 -7.198 0.808 545 HE1 HIS 76 HE1 HIS 76 -21.675 -8.899 -2.758 546 HE2 HIS 76 HE2 HIS 76 -21.609 -9.040 -0.244 547 H GLY 77 H GLY 77 -16.175 -6.545 -1.172 548 HA2 GLY 77 1HA GLY 77 -16.695 -9.220 -1.676 549 HA3 GLY 77 2HA GLY 77 -15.696 -8.661 -3.009 550 H THR 78 H THR 78 -13.640 -9.173 -2.734 551 HA THR 78 HA THR 78 -12.469 -8.883 -0.049 552 HB THR 78 HB THR 78 -11.708 -11.083 -1.973 553 HG1 THR 78 HG1 THR 78 -13.340 -12.171 -1.200 554 HG21 THR 78 3HG2 THR 78 -10.042 -10.264 -0.253 555 HG22 THR 78 1HG2 THR 78 -10.439 -11.979 -0.178 556 HG23 THR 78 2HG2 THR 78 -11.154 -10.857 0.980 557 H TYR 79 H TYR 79 -11.178 -7.160 -0.245 558 HA TYR 79 HA TYR 79 -9.785 -6.584 -2.708 559 HB2 TYR 79 1HB TYR 79 -9.886 -5.216 -0.021 560 HB3 TYR 79 2HB TYR 79 -8.846 -4.660 -1.327 561 HD1 TYR 79 HD1 TYR 79 -9.798 -3.651 -3.333 562 HD2 TYR 79 HD2 TYR 79 -12.287 -4.930 -0.129 563 HE1 TYR 79 HE1 TYR 79 -11.664 -2.350 -4.271 564 HE2 TYR 79 HE2 TYR 79 -14.160 -3.634 -1.058 565 HH TYR 79 HH TYR 79 -14.858 -2.336 -2.714 566 H THR 80 H THR 80 -7.509 -6.398 -2.919 567 HA THR 80 HA THR 80 -5.874 -7.687 -0.864 568 HB THR 80 HB THR 80 -5.824 -8.569 -3.757 569 HG1 THR 80 HG1 THR 80 -7.591 -9.509 -2.788 570 HG21 THR 80 3HG2 THR 80 -4.337 -10.380 -2.750 571 HG22 THR 80 1HG2 THR 80 -4.201 -9.331 -1.340 572 HG23 THR 80 2HG2 THR 80 -3.631 -8.772 -2.913 573 H CYS 81 H CYS 81 -4.336 -6.253 -0.435 574 HA CYS 81 HA CYS 81 -3.335 -4.532 -2.586 575 HB2 CYS 81 1HB CYS 81 -4.179 -3.590 -0.366 576 HB3 CYS 81 2HB CYS 81 -2.722 -4.264 0.355 577 HG CYS 81 HG CYS 81 -1.803 -2.542 -2.254 578 H LEU 82 H LEU 82 -1.764 -5.594 -3.659 579 HA LEU 82 HA LEU 82 0.228 -7.128 -2.189 580 HB2 LEU 82 1HB LEU 82 -0.431 -8.276 -4.088 581 HB3 LEU 82 2HB LEU 82 -0.501 -6.813 -5.069 582 HG LEU 82 HG LEU 82 1.879 -6.761 -5.287 583 HD11 LEU 82 1HD1 LEU 82 1.985 -7.910 -2.838 584 HD12 LEU 82 2HD1 LEU 82 3.352 -7.795 -3.946 585 HD13 LEU 82 3HD1 LEU 82 2.402 -9.279 -3.869 586 HD21 LEU 82 3HD2 LEU 82 0.281 -8.953 -6.149 587 HD22 LEU 82 1HD2 LEU 82 1.907 -9.543 -5.806 588 HD23 LEU 82 2HD2 LEU 82 1.672 -8.218 -6.946 589 H ALA 83 H ALA 83 2.126 -6.323 -1.600 590 HA ALA 83 HA ALA 83 3.195 -4.002 -3.064 591 HB1 ALA 83 3HB ALA 83 2.771 -2.811 -1.216 592 HB2 ALA 83 1HB ALA 83 2.557 -4.251 -0.220 593 HB3 ALA 83 2HB ALA 83 4.178 -3.637 -0.546 594 H GLU 84 H GLU 84 4.839 -4.904 -4.169 595 HA GLU 84 HA GLU 84 6.887 -6.322 -2.604 596 HB2 GLU 84 1HB GLU 84 7.280 -7.862 -4.422 597 HB3 GLU 84 2HB GLU 84 5.582 -7.928 -3.971 598 HG2 GLU 84 1HG GLU 84 5.179 -6.289 -5.874 599 HG3 GLU 84 2HG GLU 84 6.819 -6.672 -6.395 600 H ASN 85 H ASN 85 9.035 -6.017 -3.269 601 HA ASN 85 HA ASN 85 9.486 -3.985 -5.339 602 HB2 ASN 85 1HB ASN 85 11.025 -2.765 -3.927 603 HB3 ASN 85 2HB ASN 85 9.476 -2.893 -3.100 604 HD21 ASN 85 1HD2 ASN 85 11.145 -2.292 -1.366 605 HD22 ASN 85 2HD2 ASN 85 11.810 -3.619 -0.482 606 H ALA 86 H ALA 86 12.125 -3.726 -5.351 607 HA ALA 86 HA ALA 86 13.052 -6.105 -6.537 608 HB1 ALA 86 3HB ALA 86 15.331 -4.673 -5.958 609 HB2 ALA 86 1HB ALA 86 14.345 -4.513 -7.412 610 HB3 ALA 86 2HB ALA 86 14.082 -3.431 -6.044 611 H LEU 87 H LEU 87 12.701 -5.341 -3.304 612 HA LEU 87 HA LEU 87 14.943 -7.002 -2.427 613 HB2 LEU 87 1HB LEU 87 13.179 -4.992 -1.150 614 HB3 LEU 87 2HB LEU 87 13.800 -6.287 -0.128 615 HG LEU 87 HG LEU 87 15.074 -4.037 -0.252 616 HD11 LEU 87 1HD1 LEU 87 17.289 -5.458 -0.330 617 HD12 LEU 87 2HD1 LEU 87 16.154 -6.807 -0.300 618 HD13 LEU 87 3HD1 LEU 87 16.144 -5.617 1.002 619 HD21 LEU 87 3HD2 LEU 87 16.401 -5.321 -2.607 620 HD22 LEU 87 1HD2 LEU 87 16.510 -3.658 -2.031 621 HD23 LEU 87 2HD2 LEU 87 15.043 -4.219 -2.834 622 H GLY 88 H GLY 88 11.630 -6.691 -1.166 623 HA2 GLY 88 1HA GLY 88 11.420 -9.636 -1.300 624 HA3 GLY 88 2HA GLY 88 10.877 -8.721 0.099 625 H GLN 89 H GLN 89 8.831 -9.839 -0.305 626 HA GLN 89 HA GLN 89 7.066 -8.168 -1.844 627 HB2 GLN 89 1HB GLN 89 6.161 -9.923 -3.261 628 HB3 GLN 89 2HB GLN 89 7.880 -9.725 -3.571 629 HG2 GLN 89 1HG GLN 89 8.342 -11.677 -2.154 630 HG3 GLN 89 2HG GLN 89 6.609 -11.888 -1.909 631 HE21 GLN 89 1HE2 GLN 89 5.550 -11.523 -4.335 632 HE22 GLN 89 2HE2 GLN 89 6.144 -12.696 -5.455 633 H VAL 90 H VAL 90 5.165 -8.018 -0.833 634 HA VAL 90 HA VAL 90 4.256 -10.239 0.852 635 HB VAL 90 HB VAL 90 3.701 -8.778 2.697 636 HG11 VAL 90 1HG1 VAL 90 5.987 -9.784 2.531 637 HG12 VAL 90 2HG1 VAL 90 6.558 -8.234 1.911 638 HG13 VAL 90 3HG1 VAL 90 5.890 -8.341 3.540 639 HG21 VAL 90 3HG2 VAL 90 3.748 -6.753 0.834 640 HG22 VAL 90 1HG2 VAL 90 3.602 -6.548 2.580 641 HG23 VAL 90 2HG2 VAL 90 5.183 -6.432 1.807 642 H SER 91 H SER 91 1.996 -10.241 1.288 643 HA SER 91 HA SER 91 0.372 -8.335 -0.228 644 HB2 SER 91 1HB SER 91 -0.987 -10.186 -1.171 645 HB3 SER 91 2HB SER 91 0.679 -10.217 -1.748 646 HG SER 91 HG SER 91 1.101 -11.941 -0.472 647 H CYS 92 H CYS 92 -1.742 -8.079 0.532 648 HA CYS 92 HA CYS 92 -2.503 -9.579 2.926 649 HB2 CYS 92 1HB CYS 92 -3.022 -7.576 4.177 650 HB3 CYS 92 2HB CYS 92 -1.340 -7.508 3.666 651 HG CYS 92 HG CYS 92 -1.689 -5.048 2.977 652 H SER 93 H SER 93 -4.743 -9.575 3.376 653 HA SER 93 HA SER 93 -6.412 -8.641 1.133 654 HB2 SER 93 1HB SER 93 -7.920 -10.567 1.675 655 HB3 SER 93 2HB SER 93 -6.323 -11.056 1.107 656 HG SER 93 HG SER 93 -6.749 -10.758 3.859 657 H ALA 94 H ALA 94 -8.741 -8.336 1.748 658 HA ALA 94 HA ALA 94 -9.262 -7.710 4.526 659 HB1 ALA 94 3HB ALA 94 -8.201 -5.698 2.985 660 HB2 ALA 94 1HB ALA 94 -9.936 -5.399 2.886 661 HB3 ALA 94 2HB ALA 94 -9.144 -5.481 4.460 662 H TRP 95 H TRP 95 -11.483 -7.352 4.973 663 HA TRP 95 HA TRP 95 -13.262 -8.250 2.804 664 HB2 TRP 95 1HB TRP 95 -13.124 -9.813 4.695 665 HB3 TRP 95 2HB TRP 95 -13.611 -8.529 5.797 666 HD1 TRP 95 HD1 TRP 95 -16.184 -7.833 5.818 667 HE1 TRP 95 HE1 TRP 95 -18.299 -9.005 4.934 668 HE3 TRP 95 HE3 TRP 95 -13.979 -11.308 2.785 669 HZ2 TRP 95 HZ2 TRP 95 -18.946 -11.122 3.183 670 HZ3 TRP 95 HZ3 TRP 95 -15.417 -12.870 1.540 671 HH2 TRP 95 HH2 TRP 95 -17.849 -12.777 1.737 672 H VAL 96 H VAL 96 -14.795 -6.908 2.110 673 HA VAL 96 HA VAL 96 -15.600 -4.668 3.844 674 HB VAL 96 HB VAL 96 -15.127 -4.499 0.864 675 HG11 VAL 96 1HG1 VAL 96 -16.308 -2.617 0.860 676 HG12 VAL 96 2HG1 VAL 96 -16.810 -2.981 2.513 677 HG13 VAL 96 3HG1 VAL 96 -15.386 -1.981 2.222 678 HG21 VAL 96 3HG2 VAL 96 -13.144 -4.578 2.584 679 HG22 VAL 96 1HG2 VAL 96 -13.141 -3.417 1.257 680 HG23 VAL 96 2HG2 VAL 96 -13.613 -2.903 2.876 681 H THR 97 H THR 97 -17.728 -4.460 4.098 682 HA THR 97 HA THR 97 -19.496 -5.906 2.235 683 HB THR 97 HB THR 97 -20.079 -5.260 5.130 684 HG1 THR 97 HG1 THR 97 -18.610 -6.842 5.302 685 HG21 THR 97 3HG2 THR 97 -21.643 -6.334 2.917 686 HG22 THR 97 1HG2 THR 97 -22.175 -5.708 4.476 687 HG23 THR 97 2HG2 THR 97 -21.646 -7.384 4.333 688 H VAL 98 H VAL 98 -21.329 -4.902 1.472 689 HA VAL 98 HA VAL 98 -21.583 -2.032 2.102 690 HB VAL 98 HB VAL 98 -22.131 -3.416 -0.527 691 HG11 VAL 98 1HG1 VAL 98 -22.267 -0.462 0.015 692 HG12 VAL 98 2HG1 VAL 98 -22.823 -1.343 -1.410 693 HG13 VAL 98 3HG1 VAL 98 -23.680 -1.512 0.123 694 HG21 VAL 98 3HG2 VAL 98 -20.082 -1.296 0.088 695 HG22 VAL 98 1HG2 VAL 98 -19.728 -3.023 0.101 696 HG23 VAL 98 2HG2 VAL 98 -20.251 -2.242 -1.391 697 H HIS 99 H HIS 99 -23.336 -1.699 3.294 698 HA HIS 99 HA HIS 99 -25.459 -3.448 3.664 699 HB2 HIS 99 1HB HIS 99 -25.514 -0.434 3.924 700 HB3 HIS 99 2HB HIS 99 -26.653 -1.556 4.663 701 HD1 HIS 99 HD1 HIS 99 -25.272 -3.435 6.263 702 HD2 HIS 99 HD2 HIS 99 -23.601 0.321 5.661 703 HE1 HIS 99 HE1 HIS 99 -23.627 -3.123 8.139 704 HE2 HIS 99 HE2 HIS 99 -22.690 -0.809 7.803 Start of MODEL 10 1 H1 GLY 1 H GLY 1 31.165 12.596 -9.575 2 HA2 GLY 1 1HA GLY 1 28.959 13.270 -9.487 3 HA3 GLY 1 2HA GLY 1 28.489 11.624 -9.885 4 H SER 2 H SER 2 26.753 12.037 -8.331 5 HA SER 2 HA SER 2 27.515 12.185 -5.534 6 HB2 SER 2 1HB SER 2 25.457 13.316 -6.667 7 HB3 SER 2 2HB SER 2 24.706 11.730 -6.497 8 HG SER 2 HG SER 2 24.524 12.045 -4.423 9 H SER 3 H SER 3 27.937 10.456 -4.348 10 HA SER 3 HA SER 3 26.426 8.005 -4.721 11 HB2 SER 3 1HB SER 3 28.610 8.047 -6.184 12 HB3 SER 3 2HB SER 3 29.408 7.712 -4.647 13 HG SER 3 HG SER 3 27.801 5.944 -4.474 14 H GLY 4 H GLY 4 25.876 7.255 -2.787 15 HA2 GLY 4 1HA GLY 4 27.415 8.164 -0.452 16 HA3 GLY 4 2HA GLY 4 25.748 7.607 -0.424 17 H SER 5 H SER 5 27.497 6.629 1.414 18 HA SER 5 HA SER 5 28.010 3.889 0.454 19 HB2 SER 5 1HB SER 5 29.814 3.736 2.110 20 HB3 SER 5 2HB SER 5 30.094 5.084 1.009 21 HG SER 5 HG SER 5 30.172 5.266 3.537 22 H SER 6 H SER 6 27.259 5.788 3.371 23 HA SER 6 HA SER 6 26.337 3.536 4.851 24 HB2 SER 6 1HB SER 6 25.540 5.202 6.481 25 HB3 SER 6 2HB SER 6 27.191 5.550 5.967 26 HG SER 6 HG SER 6 26.516 7.284 4.895 27 H GLY 7 H GLY 7 24.619 2.418 4.168 28 HA2 GLY 7 1HA GLY 7 22.023 3.255 4.389 29 HA3 GLY 7 2HA GLY 7 22.454 3.633 2.728 30 H MET 8 H MET 8 20.427 1.821 3.453 31 HA MET 8 HA MET 8 21.314 -0.486 1.980 32 HB2 MET 8 1HB MET 8 22.033 -1.245 4.127 33 HB3 MET 8 2HB MET 8 20.535 -0.721 4.885 34 HG2 MET 8 1HG MET 8 20.262 -3.004 4.735 35 HG3 MET 8 2HG MET 8 19.404 -2.415 3.313 36 HE1 MET 8 3HE MET 8 19.504 -4.791 1.980 37 HE2 MET 8 1HE MET 8 20.934 -5.816 2.108 38 HE3 MET 8 2HE MET 8 20.058 -5.340 3.563 39 H GLU 9 H GLU 9 19.623 -1.633 1.057 40 HA GLU 9 HA GLU 9 17.179 -0.229 0.753 41 HB2 GLU 9 1HB GLU 9 18.019 -3.004 -0.088 42 HB3 GLU 9 2HB GLU 9 16.474 -2.286 -0.522 43 HG2 GLU 9 1HG GLU 9 17.687 -1.796 -2.383 44 HG3 GLU 9 2HG GLU 9 17.987 -0.346 -1.427 45 H VAL 10 H VAL 10 15.051 -1.622 0.895 46 HA VAL 10 HA VAL 10 14.960 -3.126 3.406 47 HB VAL 10 HB VAL 10 13.443 -0.603 2.827 48 HG11 VAL 10 1HG1 VAL 10 12.551 -2.933 4.491 49 HG12 VAL 10 2HG1 VAL 10 12.039 -1.286 4.867 50 HG13 VAL 10 3HG1 VAL 10 11.637 -2.001 3.306 51 HG21 VAL 10 3HG2 VAL 10 14.842 0.162 4.376 52 HG22 VAL 10 1HG2 VAL 10 14.059 -0.901 5.546 53 HG23 VAL 10 2HG2 VAL 10 15.481 -1.457 4.662 54 H ALA 11 H ALA 11 13.221 -4.562 3.585 55 HA ALA 11 HA ALA 11 12.091 -5.370 1.037 56 HB1 ALA 11 3HB ALA 11 11.148 -6.961 3.218 57 HB2 ALA 11 1HB ALA 11 12.231 -7.408 1.900 58 HB3 ALA 11 2HB ALA 11 12.885 -6.709 3.382 59 HA PRO 12 HA PRO 12 8.026 -3.804 1.557 60 HB2 PRO 12 1HB PRO 12 6.485 -5.843 0.641 61 HB3 PRO 12 2HB PRO 12 7.475 -4.834 -0.421 62 HG2 PRO 12 1HG PRO 12 8.051 -7.556 0.684 63 HG3 PRO 12 2HG PRO 12 8.317 -6.935 -0.955 64 HD2 PRO 12 1HD PRO 12 10.309 -7.138 0.868 65 HD3 PRO 12 2HD PRO 12 10.271 -5.862 -0.366 66 H SER 13 H SER 13 6.696 -3.562 3.243 67 HA SER 13 HA SER 13 5.712 -5.836 4.731 68 HB2 SER 13 1HB SER 13 6.506 -4.834 6.928 69 HB3 SER 13 2HB SER 13 7.755 -5.583 5.933 70 HG SER 13 HG SER 13 7.169 -2.806 6.055 71 H PHE 14 H PHE 14 3.736 -5.448 5.550 72 HA PHE 14 HA PHE 14 2.590 -2.815 5.100 73 HB2 PHE 14 1HB PHE 14 1.404 -5.494 5.817 74 HB3 PHE 14 2HB PHE 14 0.446 -4.017 5.793 75 HD1 PHE 14 HD2 PHE 14 0.483 -2.656 3.597 76 HD2 PHE 14 HD1 PHE 14 1.658 -6.737 3.887 77 HE1 PHE 14 HE2 PHE 14 0.123 -2.928 1.178 78 HE2 PHE 14 HE1 PHE 14 1.300 -7.015 1.468 79 HZ PHE 14 HZ PHE 14 0.531 -5.110 0.111 80 H SER 15 H SER 15 3.205 -1.448 6.700 81 HA SER 15 HA SER 15 3.634 -2.041 9.373 82 HB2 SER 15 1HB SER 15 4.339 0.078 8.416 83 HB3 SER 15 2HB SER 15 2.662 0.545 8.133 84 HG SER 15 HG SER 15 3.847 1.314 10.132 85 H SER 16 H SER 16 0.650 -1.466 7.664 86 HA SER 16 HA SER 16 -0.861 -2.410 9.943 87 HB2 SER 16 1HB SER 16 -0.555 0.213 10.009 88 HB3 SER 16 2HB SER 16 -1.830 0.177 8.791 89 HG SER 16 HG SER 16 -1.911 -0.703 11.469 90 H VAL 17 H VAL 17 -1.898 -4.020 8.953 91 HA VAL 17 HA VAL 17 -2.706 -3.926 6.216 92 HB VAL 17 HB VAL 17 -3.784 -6.088 6.650 93 HG11 VAL 17 1HG1 VAL 17 -1.596 -7.109 7.827 94 HG12 VAL 17 2HG1 VAL 17 -1.638 -6.584 6.142 95 HG13 VAL 17 3HG1 VAL 17 -0.983 -5.516 7.384 96 HG21 VAL 17 3HG2 VAL 17 -3.231 -6.976 9.079 97 HG22 VAL 17 1HG2 VAL 17 -3.362 -5.262 9.473 98 HG23 VAL 17 2HG2 VAL 17 -4.724 -6.104 8.733 99 H LEU 18 H LEU 18 -4.896 -4.139 5.435 100 HA LEU 18 HA LEU 18 -6.626 -2.169 6.361 101 HB2 LEU 18 1HB LEU 18 -7.328 -4.621 4.753 102 HB3 LEU 18 2HB LEU 18 -8.299 -3.155 4.883 103 HG LEU 18 HG LEU 18 -5.518 -2.984 3.804 104 HD11 LEU 18 1HD1 LEU 18 -7.851 -3.570 2.018 105 HD12 LEU 18 2HD1 LEU 18 -6.857 -4.867 2.680 106 HD13 LEU 18 3HD1 LEU 18 -6.126 -3.633 1.654 107 HD21 LEU 18 3HD2 LEU 18 -6.481 -0.884 4.084 108 HD22 LEU 18 1HD2 LEU 18 -8.075 -1.438 3.571 109 HD23 LEU 18 2HD2 LEU 18 -6.784 -1.248 2.385 110 H LYS 19 H LYS 19 -8.859 -2.456 7.162 111 HA LYS 19 HA LYS 19 -9.170 -4.781 8.930 112 HB2 LYS 19 1HB LYS 19 -9.380 -1.873 9.688 113 HB3 LYS 19 2HB LYS 19 -10.154 -3.139 10.631 114 HG2 LYS 19 1HG LYS 19 -7.217 -3.173 10.011 115 HG3 LYS 19 2HG LYS 19 -7.882 -2.339 11.418 116 HD2 LYS 19 1HD LYS 19 -8.640 -4.334 12.383 117 HD3 LYS 19 2HD LYS 19 -8.518 -5.220 10.862 118 HE2 LYS 19 1HE LYS 19 -6.053 -4.043 12.057 119 HE3 LYS 19 2HE LYS 19 -6.718 -5.519 12.754 120 HZ1 LYS 19 3HZ LYS 19 -6.017 -5.173 9.890 121 HZ2 LYS 19 1HZ LYS 19 -6.547 -6.599 10.630 122 HZ3 LYS 19 2HZ LYS 19 -5.040 -5.946 11.035 123 H ASP 20 H ASP 20 -11.313 -5.360 9.411 124 HA ASP 20 HA ASP 20 -13.167 -5.218 7.404 125 HB2 ASP 20 1HB ASP 20 -13.668 -5.515 10.372 126 HB3 ASP 20 2HB ASP 20 -14.868 -5.842 9.124 127 H CYS 21 H CYS 21 -14.738 -3.851 6.750 128 HA CYS 21 HA CYS 21 -15.418 -1.547 8.416 129 HB2 CYS 21 1HB CYS 21 -13.512 -1.112 6.650 130 HB3 CYS 21 2HB CYS 21 -14.857 -1.051 5.519 131 HG CYS 21 HG CYS 21 -14.321 1.016 8.188 132 H ALA 22 H ALA 22 -17.270 -0.293 7.434 133 HA ALA 22 HA ALA 22 -18.992 -1.922 5.719 134 HB1 ALA 22 3HB ALA 22 -20.030 -2.666 7.581 135 HB2 ALA 22 1HB ALA 22 -19.474 -1.312 8.565 136 HB3 ALA 22 2HB ALA 22 -20.849 -1.108 7.479 137 H VAL 23 H VAL 23 -19.941 -0.720 4.208 138 HA VAL 23 HA VAL 23 -20.294 2.161 4.719 139 HB VAL 23 HB VAL 23 -18.395 1.520 3.108 140 HG11 VAL 23 1HG1 VAL 23 -20.136 -0.112 1.953 141 HG12 VAL 23 2HG1 VAL 23 -20.471 1.332 0.994 142 HG13 VAL 23 3HG1 VAL 23 -18.839 0.663 1.044 143 HG21 VAL 23 3HG2 VAL 23 -19.389 3.318 1.410 144 HG22 VAL 23 1HG2 VAL 23 -20.544 3.524 2.727 145 HG23 VAL 23 2HG2 VAL 23 -18.820 3.752 3.021 146 H ILE 24 H ILE 24 -22.091 3.155 3.761 147 HA ILE 24 HA ILE 24 -24.302 1.339 3.255 148 HB ILE 24 HB ILE 24 -24.303 4.354 3.430 149 HG12 ILE 24 1HG1 ILE 24 -23.625 2.946 5.499 150 HG13 ILE 24 2HG1 ILE 24 -24.865 4.180 5.692 151 HG21 ILE 24 1HG2 ILE 24 -26.745 4.039 3.808 152 HG22 ILE 24 2HG2 ILE 24 -26.204 3.591 2.191 153 HG23 ILE 24 3HG2 ILE 24 -26.542 2.339 3.385 154 HD11 ILE 24 3HD1 ILE 24 -25.141 1.737 6.654 155 HD12 ILE 24 1HD1 ILE 24 -26.512 2.661 6.042 156 HD13 ILE 24 2HD1 ILE 24 -25.752 1.434 5.028 157 H GLU 25 H GLU 25 -25.290 1.025 1.340 158 HA GLU 25 HA GLU 25 -24.104 1.300 -1.067 159 HB2 GLU 25 1HB GLU 25 -26.170 0.042 -0.754 160 HB3 GLU 25 2HB GLU 25 -27.068 1.535 -0.526 161 HG2 GLU 25 1HG GLU 25 -25.545 1.198 -3.049 162 HG3 GLU 25 2HG GLU 25 -27.026 0.266 -2.837 163 H GLY 26 H GLY 26 -23.763 2.830 -2.591 164 HA2 GLY 26 1HA GLY 26 -24.100 4.857 -3.728 165 HA3 GLY 26 2HA GLY 26 -25.160 5.384 -2.429 166 H GLN 27 H GLN 27 -23.203 4.679 -0.350 167 HA GLN 27 HA GLN 27 -21.858 7.170 -0.218 168 HB2 GLN 27 1HB GLN 27 -21.566 4.654 1.428 169 HB3 GLN 27 2HB GLN 27 -20.753 6.168 1.802 170 HG2 GLN 27 1HG GLN 27 -23.738 5.922 1.569 171 HG3 GLN 27 2HG GLN 27 -22.862 5.700 3.082 172 HE21 GLN 27 1HE2 GLN 27 -23.930 7.459 4.010 173 HE22 GLN 27 2HE2 GLN 27 -23.529 9.088 3.598 174 H ASP 28 H ASP 28 -19.423 7.184 0.372 175 HA ASP 28 HA ASP 28 -17.969 5.505 -1.565 176 HB2 ASP 28 1HB ASP 28 -16.503 7.397 -2.045 177 HB3 ASP 28 2HB ASP 28 -18.180 7.824 -2.376 178 H PHE 29 H PHE 29 -16.346 4.357 -0.750 179 HA PHE 29 HA PHE 29 -15.256 5.152 1.871 180 HB2 PHE 29 1HB PHE 29 -15.050 2.855 2.488 181 HB3 PHE 29 2HB PHE 29 -16.685 3.069 1.871 182 HD1 PHE 29 HD2 PHE 29 -13.307 1.855 0.961 183 HD2 PHE 29 HD1 PHE 29 -17.471 1.788 0.081 184 HE1 PHE 29 HE2 PHE 29 -12.936 0.024 -0.641 185 HE2 PHE 29 HE1 PHE 29 -17.106 -0.043 -1.521 186 HZ PHE 29 HZ PHE 29 -14.837 -0.927 -1.885 187 H VAL 30 H VAL 30 -13.063 5.077 2.164 188 HA VAL 30 HA VAL 30 -11.448 4.375 -0.202 189 HB VAL 30 HB VAL 30 -10.952 6.617 1.762 190 HG11 VAL 30 1HG1 VAL 30 -8.816 5.911 1.212 191 HG12 VAL 30 2HG1 VAL 30 -9.284 5.433 -0.421 192 HG13 VAL 30 3HG1 VAL 30 -9.133 7.142 -0.010 193 HG21 VAL 30 3HG2 VAL 30 -12.393 6.475 -0.728 194 HG22 VAL 30 1HG2 VAL 30 -12.237 7.819 0.404 195 HG23 VAL 30 2HG2 VAL 30 -11.028 7.584 -0.858 196 H LEU 31 H LEU 31 -10.660 2.416 0.367 197 HA LEU 31 HA LEU 31 -9.960 1.611 2.964 198 HB2 LEU 31 1HB LEU 31 -9.149 0.612 0.248 199 HB3 LEU 31 2HB LEU 31 -8.606 -0.155 1.739 200 HG LEU 31 HG LEU 31 -11.509 0.166 0.997 201 HD11 LEU 31 1HD1 LEU 31 -11.264 -1.465 -0.483 202 HD12 LEU 31 2HD1 LEU 31 -10.735 -2.526 0.822 203 HD13 LEU 31 3HD1 LEU 31 -9.548 -1.608 -0.104 204 HD21 LEU 31 3HD2 LEU 31 -11.980 -1.225 2.792 205 HD22 LEU 31 1HD2 LEU 31 -10.691 -0.200 3.422 206 HD23 LEU 31 2HD2 LEU 31 -10.329 -1.839 2.882 207 H GLN 32 H GLN 32 -8.551 2.810 4.109 208 HA GLN 32 HA GLN 32 -6.013 3.579 2.850 209 HB2 GLN 32 1HB GLN 32 -7.408 5.339 3.965 210 HB3 GLN 32 2HB GLN 32 -7.142 4.510 5.493 211 HG2 GLN 32 1HG GLN 32 -4.662 4.800 5.050 212 HG3 GLN 32 2HG GLN 32 -5.131 5.910 3.763 213 HE21 GLN 32 1HE2 GLN 32 -3.881 7.440 5.056 214 HE22 GLN 32 2HE2 GLN 32 -4.664 8.265 6.356 215 H CYS 33 H CYS 33 -4.168 2.604 3.385 216 HA CYS 33 HA CYS 33 -4.033 1.099 5.902 217 HB2 CYS 33 1HB CYS 33 -2.856 -0.737 4.730 218 HB3 CYS 33 2HB CYS 33 -4.512 -0.537 4.171 219 HG CYS 33 HG CYS 33 -3.514 1.084 1.928 220 H SER 34 H SER 34 -1.556 0.170 5.920 221 HA SER 34 HA SER 34 0.189 2.463 5.317 222 HB2 SER 34 1HB SER 34 0.349 0.800 7.839 223 HB3 SER 34 2HB SER 34 1.287 2.242 7.454 224 HG SER 34 HG SER 34 -1.122 2.070 8.604 225 H VAL 35 H VAL 35 1.869 1.919 4.107 226 HA VAL 35 HA VAL 35 3.164 -0.667 4.464 227 HB VAL 35 HB VAL 35 1.459 -1.040 2.705 228 HG11 VAL 35 1HG1 VAL 35 1.428 0.111 0.676 229 HG12 VAL 35 2HG1 VAL 35 1.669 1.383 1.875 230 HG13 VAL 35 3HG1 VAL 35 3.035 0.791 0.929 231 HG21 VAL 35 3HG2 VAL 35 3.712 -2.193 2.780 232 HG22 VAL 35 1HG2 VAL 35 2.886 -2.202 1.221 233 HG23 VAL 35 2HG2 VAL 35 4.219 -1.083 1.507 234 H ARG 36 H ARG 36 5.321 -0.565 4.194 235 HA ARG 36 HA ARG 36 6.461 1.735 2.773 236 HB2 ARG 36 1HB ARG 36 7.361 0.803 5.506 237 HB3 ARG 36 2HB ARG 36 8.094 2.091 4.559 238 HG2 ARG 36 1HG ARG 36 6.025 3.385 4.718 239 HG3 ARG 36 2HG ARG 36 5.298 2.094 5.676 240 HD2 ARG 36 1HD ARG 36 7.818 3.540 6.467 241 HD3 ARG 36 2HD ARG 36 6.208 4.034 6.991 242 HE ARG 36 HE ARG 36 6.132 2.216 8.415 243 HH11 ARG 36 2HH1 ARG 36 8.922 2.013 6.342 244 HH12 ARG 36 1HH1 ARG 36 9.661 0.732 7.245 245 HH21 ARG 36 2HH2 ARG 36 7.095 0.530 9.611 246 HH22 ARG 36 1HH2 ARG 36 8.620 -0.112 9.103 247 H GLY 37 H GLY 37 8.699 1.436 2.132 248 HA2 GLY 37 1HA GLY 37 10.266 -0.797 2.475 249 HA3 GLY 37 2HA GLY 37 9.167 -1.217 1.170 250 H THR 38 H THR 38 12.068 -0.896 1.109 251 HA THR 38 HA THR 38 12.204 1.192 -0.963 252 HB THR 38 HB THR 38 14.182 0.643 1.240 253 HG1 THR 38 HG1 THR 38 12.355 2.379 1.087 254 HG21 THR 38 3HG2 THR 38 14.656 1.794 -1.479 255 HG22 THR 38 1HG2 THR 38 15.672 0.711 -0.529 256 HG23 THR 38 2HG2 THR 38 15.557 2.417 -0.097 257 HA PRO 39 HA PRO 39 12.909 1.709 -2.740 258 HB2 PRO 39 1HB PRO 39 12.011 0.995 -5.201 259 HB3 PRO 39 2HB PRO 39 13.715 1.309 -4.854 260 HG2 PRO 39 1HG PRO 39 12.273 -1.307 -5.052 261 HG3 PRO 39 2HG PRO 39 13.864 -0.855 -5.692 262 HD2 PRO 39 1HD PRO 39 13.564 -2.281 -3.411 263 HD3 PRO 39 2HD PRO 39 14.906 -1.145 -3.657 264 H VAL 40 H VAL 40 10.745 2.360 -3.928 265 HA VAL 40 HA VAL 40 8.623 1.636 -2.229 266 HB VAL 40 HB VAL 40 8.504 2.987 -4.930 267 HG11 VAL 40 1HG1 VAL 40 6.452 2.931 -2.719 268 HG12 VAL 40 2HG1 VAL 40 6.321 3.797 -4.251 269 HG13 VAL 40 3HG1 VAL 40 6.345 2.034 -4.233 270 HG21 VAL 40 3HG2 VAL 40 8.230 5.039 -3.444 271 HG22 VAL 40 1HG2 VAL 40 8.827 4.026 -2.129 272 HG23 VAL 40 2HG2 VAL 40 9.842 4.330 -3.539 273 HA PRO 41 HA PRO 41 7.495 -2.205 -4.188 274 HB2 PRO 41 1HB PRO 41 5.368 -2.718 -2.582 275 HB3 PRO 41 2HB PRO 41 7.040 -2.972 -2.071 276 HG2 PRO 41 1HG PRO 41 5.210 -0.675 -1.491 277 HG3 PRO 41 2HG PRO 41 6.321 -1.523 -0.400 278 HD2 PRO 41 1HD PRO 41 6.927 0.862 -1.529 279 HD3 PRO 41 2HD PRO 41 8.160 -0.363 -1.165 280 H ARG 42 H ARG 42 5.789 -2.998 -5.480 281 HA ARG 42 HA ARG 42 4.223 -0.941 -6.741 282 HB2 ARG 42 1HB ARG 42 4.629 -3.877 -7.225 283 HB3 ARG 42 2HB ARG 42 3.361 -2.997 -8.067 284 HG2 ARG 42 1HG ARG 42 5.032 -2.796 -9.590 285 HG3 ARG 42 2HG ARG 42 5.358 -1.358 -8.619 286 HD2 ARG 42 1HD ARG 42 7.108 -2.450 -7.440 287 HD3 ARG 42 2HD ARG 42 6.660 -4.021 -8.101 288 HE ARG 42 HE ARG 42 7.333 -2.219 -10.179 289 HH11 ARG 42 2HH1 ARG 42 8.748 -4.166 -7.664 290 HH12 ARG 42 1HH1 ARG 42 10.259 -4.364 -8.487 291 HH21 ARG 42 2HH2 ARG 42 9.318 -2.472 -11.273 292 HH22 ARG 42 1HH2 ARG 42 10.583 -3.399 -10.540 293 H ILE 43 H ILE 43 2.204 -0.384 -6.267 294 HA ILE 43 HA ILE 43 0.698 -2.039 -4.381 295 HB ILE 43 HB ILE 43 0.081 0.764 -5.318 296 HG12 ILE 43 1HG1 ILE 43 2.208 0.761 -4.151 297 HG13 ILE 43 2HG1 ILE 43 0.976 1.462 -3.107 298 HG21 ILE 43 1HG2 ILE 43 -1.412 -1.144 -3.832 299 HG22 ILE 43 2HG2 ILE 43 -0.963 0.175 -2.752 300 HG23 ILE 43 3HG2 ILE 43 -1.843 0.516 -4.242 301 HD11 ILE 43 3HD1 ILE 43 2.494 -1.057 -2.830 302 HD12 ILE 43 1HD1 ILE 43 1.982 0.105 -1.606 303 HD13 ILE 43 2HD1 ILE 43 0.823 -1.051 -2.266 304 H THR 44 H THR 44 -0.565 -3.511 -5.312 305 HA THR 44 HA THR 44 -2.290 -2.648 -7.535 306 HB THR 44 HB THR 44 -0.959 -5.356 -7.322 307 HG1 THR 44 HG1 THR 44 0.601 -4.341 -8.324 308 HG21 THR 44 3HG2 THR 44 -2.089 -4.760 -9.885 309 HG22 THR 44 1HG2 THR 44 -3.325 -4.567 -8.643 310 HG23 THR 44 2HG2 THR 44 -2.458 -6.096 -8.795 311 H TRP 45 H TRP 45 -4.341 -2.759 -6.931 312 HA TRP 45 HA TRP 45 -5.120 -4.501 -4.732 313 HB2 TRP 45 1HB TRP 45 -6.749 -2.454 -6.254 314 HB3 TRP 45 2HB TRP 45 -7.243 -3.283 -4.780 315 HD1 TRP 45 HD1 TRP 45 -4.542 -0.772 -5.963 316 HE1 TRP 45 HE1 TRP 45 -3.917 0.723 -3.964 317 HE3 TRP 45 HE3 TRP 45 -7.351 -3.041 -2.344 318 HZ2 TRP 45 HZ2 TRP 45 -4.534 0.916 -1.216 319 HZ3 TRP 45 HZ3 TRP 45 -7.277 -2.139 -0.056 320 HH2 TRP 45 HH2 TRP 45 -5.897 -0.202 0.495 321 H LEU 46 H LEU 46 -6.588 -6.162 -4.875 322 HA LEU 46 HA LEU 46 -7.567 -6.861 -7.558 323 HB2 LEU 46 1HB LEU 46 -6.480 -8.851 -5.577 324 HB3 LEU 46 2HB LEU 46 -7.018 -9.170 -7.225 325 HG LEU 46 HG LEU 46 -4.703 -7.338 -6.719 326 HD11 LEU 46 1HD1 LEU 46 -4.221 -9.378 -5.464 327 HD12 LEU 46 2HD1 LEU 46 -3.188 -9.237 -6.886 328 HD13 LEU 46 3HD1 LEU 46 -4.560 -10.345 -6.899 329 HD21 LEU 46 3HD2 LEU 46 -4.707 -9.209 -8.969 330 HD22 LEU 46 1HD2 LEU 46 -4.387 -7.475 -8.932 331 HD23 LEU 46 2HD2 LEU 46 -6.049 -8.063 -8.981 332 H LEU 47 H LEU 47 -9.695 -7.097 -7.577 333 HA LEU 47 HA LEU 47 -11.076 -7.649 -5.043 334 HB2 LEU 47 1HB LEU 47 -11.537 -5.574 -6.528 335 HB3 LEU 47 2HB LEU 47 -12.427 -6.707 -7.543 336 HG LEU 47 HG LEU 47 -13.835 -7.262 -5.550 337 HD11 LEU 47 1HD1 LEU 47 -12.068 -5.190 -4.347 338 HD12 LEU 47 2HD1 LEU 47 -12.698 -6.682 -3.650 339 HD13 LEU 47 3HD1 LEU 47 -13.753 -5.280 -3.833 340 HD21 LEU 47 3HD2 LEU 47 -13.748 -4.616 -6.895 341 HD22 LEU 47 1HD2 LEU 47 -14.857 -4.818 -5.539 342 HD23 LEU 47 2HD2 LEU 47 -14.983 -5.874 -6.946 343 H ASN 48 H ASN 48 -11.762 -9.654 -4.743 344 HA ASN 48 HA ASN 48 -12.487 -11.777 -5.118 345 HB2 ASN 48 1HB ASN 48 -13.891 -10.184 -7.226 346 HB3 ASN 48 2HB ASN 48 -14.015 -11.941 -7.265 347 HD21 ASN 48 1HD2 ASN 48 -15.860 -9.596 -6.577 348 HD22 ASN 48 2HD2 ASN 48 -16.607 -10.096 -5.101 349 H GLY 49 H GLY 49 -9.935 -10.859 -6.319 350 HA2 GLY 49 1HA GLY 49 -8.269 -12.090 -7.389 351 HA3 GLY 49 2HA GLY 49 -9.501 -13.194 -7.983 352 H GLN 50 H GLN 50 -9.607 -9.706 -8.380 353 HA GLN 50 HA GLN 50 -8.784 -9.941 -11.170 354 HB2 GLN 50 1HB GLN 50 -11.500 -9.044 -10.240 355 HB3 GLN 50 2HB GLN 50 -10.834 -8.509 -11.777 356 HG2 GLN 50 1HG GLN 50 -10.563 -10.918 -12.396 357 HG3 GLN 50 2HG GLN 50 -11.462 -11.324 -10.935 358 HE21 GLN 50 1HE2 GLN 50 -11.861 -11.284 -14.048 359 HE22 GLN 50 2HE2 GLN 50 -13.491 -10.733 -14.197 360 HA PRO 51 HA PRO 51 -6.808 -6.133 -10.123 361 HB2 PRO 51 1HB PRO 51 -6.095 -5.391 -12.635 362 HB3 PRO 51 2HB PRO 51 -5.270 -6.674 -11.742 363 HG2 PRO 51 1HG PRO 51 -7.377 -6.892 -13.856 364 HG3 PRO 51 2HG PRO 51 -5.897 -7.847 -13.649 365 HD2 PRO 51 1HD PRO 51 -8.333 -8.749 -12.884 366 HD3 PRO 51 2HD PRO 51 -6.841 -9.188 -12.029 367 H ILE 52 H ILE 52 -7.838 -4.322 -9.587 368 HA ILE 52 HA ILE 52 -10.225 -3.454 -10.856 369 HB ILE 52 HB ILE 52 -8.478 -1.858 -8.982 370 HG12 ILE 52 1HG1 ILE 52 -10.775 -3.706 -8.305 371 HG13 ILE 52 2HG1 ILE 52 -9.075 -4.095 -8.068 372 HG21 ILE 52 1HG2 ILE 52 -10.166 -0.539 -10.134 373 HG22 ILE 52 2HG2 ILE 52 -11.417 -1.675 -9.630 374 HG23 ILE 52 3HG2 ILE 52 -10.568 -0.706 -8.426 375 HD11 ILE 52 3HD1 ILE 52 -8.878 -2.220 -6.508 376 HD12 ILE 52 1HD1 ILE 52 -10.592 -1.870 -6.727 377 HD13 ILE 52 2HD1 ILE 52 -10.089 -3.393 -5.992 378 H GLN 53 H GLN 53 -10.581 -1.938 -12.383 379 HA GLN 53 HA GLN 53 -8.221 -0.793 -13.688 380 HB2 GLN 53 1HB GLN 53 -9.651 -0.445 -15.620 381 HB3 GLN 53 2HB GLN 53 -9.773 -2.114 -15.078 382 HG2 GLN 53 1HG GLN 53 -11.838 -1.221 -13.751 383 HG3 GLN 53 2HG GLN 53 -11.785 0.076 -14.944 384 HE21 GLN 53 1HE2 GLN 53 -12.523 -3.222 -14.340 385 HE22 GLN 53 2HE2 GLN 53 -13.154 -3.598 -15.904 386 H TYR 54 H TYR 54 -11.374 0.121 -12.368 387 HA TYR 54 HA TYR 54 -10.745 2.949 -12.730 388 HB2 TYR 54 1HB TYR 54 -13.091 3.244 -11.786 389 HB3 TYR 54 2HB TYR 54 -12.975 2.435 -13.345 390 HD1 TYR 54 HD1 TYR 54 -13.515 1.891 -9.727 391 HD2 TYR 54 HD2 TYR 54 -13.736 0.204 -13.627 392 HE1 TYR 54 HE1 TYR 54 -14.789 -0.010 -8.826 393 HE2 TYR 54 HE2 TYR 54 -15.012 -1.701 -12.737 394 HH TYR 54 HH TYR 54 -15.215 -2.851 -10.405 395 H ALA 55 H ALA 55 -9.127 1.523 -10.898 396 HA ALA 55 HA ALA 55 -10.066 2.409 -8.266 397 HB1 ALA 55 3HB ALA 55 -8.496 0.192 -9.188 398 HB2 ALA 55 1HB ALA 55 -7.593 1.118 -7.989 399 HB3 ALA 55 2HB ALA 55 -9.191 0.483 -7.594 400 H ARG 56 H ARG 56 -9.658 4.566 -8.150 401 HA ARG 56 HA ARG 56 -7.223 5.727 -9.125 402 HB2 ARG 56 1HB ARG 56 -9.373 6.896 -7.347 403 HB3 ARG 56 2HB ARG 56 -8.076 7.806 -8.110 404 HG2 ARG 56 1HG ARG 56 -9.013 7.664 -10.196 405 HG3 ARG 56 2HG ARG 56 -9.886 6.176 -9.821 406 HD2 ARG 56 1HD ARG 56 -11.481 7.950 -9.994 407 HD3 ARG 56 2HD ARG 56 -11.345 7.498 -8.295 408 HE ARG 56 HE ARG 56 -10.655 9.623 -7.861 409 HH11 ARG 56 2HH1 ARG 56 -10.046 8.935 -11.219 410 HH12 ARG 56 1HH1 ARG 56 -9.492 10.536 -11.581 411 HH21 ARG 56 2HH2 ARG 56 -9.927 11.734 -8.325 412 HH22 ARG 56 1HH2 ARG 56 -9.424 12.127 -9.934 413 H SER 57 H SER 57 -6.245 3.847 -7.608 414 HA SER 57 HA SER 57 -5.959 4.337 -4.860 415 HB2 SER 57 1HB SER 57 -4.063 2.798 -4.956 416 HB3 SER 57 2HB SER 57 -5.391 2.185 -5.941 417 HG SER 57 HG SER 57 -3.076 2.292 -6.806 418 H THR 58 H THR 58 -4.434 5.418 -3.660 419 HA THR 58 HA THR 58 -2.446 7.024 -5.104 420 HB THR 58 HB THR 58 -2.960 8.938 -3.535 421 HG1 THR 58 HG1 THR 58 -4.946 8.906 -2.490 422 HG21 THR 58 3HG2 THR 58 -3.647 8.995 -5.873 423 HG22 THR 58 1HG2 THR 58 -4.879 9.738 -4.853 424 HG23 THR 58 2HG2 THR 58 -5.118 8.106 -5.479 425 H CYS 59 H CYS 59 -0.541 6.402 -4.332 426 HA CYS 59 HA CYS 59 -0.321 5.627 -1.512 427 HB2 CYS 59 1HB CYS 59 1.850 4.625 -2.183 428 HB3 CYS 59 2HB CYS 59 0.486 3.958 -3.072 429 HG CYS 59 HG CYS 59 2.232 4.075 -5.063 430 H GLU 60 H GLU 60 0.278 7.201 -0.184 431 HA GLU 60 HA GLU 60 2.420 9.022 -1.054 432 HB2 GLU 60 1HB GLU 60 1.311 10.832 0.240 433 HB3 GLU 60 2HB GLU 60 0.374 10.292 -1.145 434 HG2 GLU 60 1HG GLU 60 -1.269 9.383 0.138 435 HG3 GLU 60 2HG GLU 60 -0.180 9.024 1.477 436 H ALA 61 H ALA 61 4.029 9.359 0.381 437 HA ALA 61 HA ALA 61 5.414 8.776 2.117 438 HB1 ALA 61 3HB ALA 61 3.015 10.092 3.208 439 HB2 ALA 61 1HB ALA 61 4.037 9.263 4.382 440 HB3 ALA 61 2HB ALA 61 4.718 10.526 3.355 441 H GLY 62 H GLY 62 4.403 6.475 1.082 442 HA2 GLY 62 1HA GLY 62 4.177 4.247 1.592 443 HA3 GLY 62 2HA GLY 62 4.676 4.660 3.226 444 H VAL 63 H VAL 63 1.850 6.003 1.637 445 HA VAL 63 HA VAL 63 0.144 4.417 3.444 446 HB VAL 63 HB VAL 63 -0.233 7.320 2.696 447 HG11 VAL 63 1HG1 VAL 63 -2.234 5.597 3.145 448 HG12 VAL 63 2HG1 VAL 63 -1.861 6.049 4.809 449 HG13 VAL 63 3HG1 VAL 63 -2.293 7.290 3.633 450 HG21 VAL 63 3HG2 VAL 63 1.501 6.412 4.528 451 HG22 VAL 63 1HG2 VAL 63 0.611 7.924 4.709 452 HG23 VAL 63 2HG2 VAL 63 0.038 6.462 5.512 453 H ALA 64 H ALA 64 -0.366 2.941 1.807 454 HA ALA 64 HA ALA 64 -1.354 3.756 -0.744 455 HB1 ALA 64 3HB ALA 64 -0.677 1.650 -1.062 456 HB2 ALA 64 1HB ALA 64 -0.842 1.243 0.647 457 HB3 ALA 64 2HB ALA 64 -2.251 1.188 -0.413 458 H GLU 65 H GLU 65 -3.360 4.280 -1.349 459 HA GLU 65 HA GLU 65 -5.598 3.608 0.433 460 HB2 GLU 65 1HB GLU 65 -5.271 6.293 -0.912 461 HB3 GLU 65 2HB GLU 65 -6.540 5.815 0.207 462 HG2 GLU 65 1HG GLU 65 -4.477 5.384 1.799 463 HG3 GLU 65 2HG GLU 65 -3.725 6.574 0.739 464 H LEU 66 H LEU 66 -7.662 3.504 -0.593 465 HA LEU 66 HA LEU 66 -7.601 3.418 -3.528 466 HB2 LEU 66 1HB LEU 66 -7.333 1.137 -2.506 467 HB3 LEU 66 2HB LEU 66 -8.946 1.332 -1.824 468 HG LEU 66 HG LEU 66 -9.759 1.615 -4.217 469 HD11 LEU 66 1HD1 LEU 66 -7.860 0.090 -5.545 470 HD12 LEU 66 2HD1 LEU 66 -6.922 1.300 -4.670 471 HD13 LEU 66 3HD1 LEU 66 -8.194 1.806 -5.782 472 HD21 LEU 66 3HD2 LEU 66 -9.922 -0.455 -2.751 473 HD22 LEU 66 1HD2 LEU 66 -8.542 -1.075 -3.658 474 HD23 LEU 66 2HD2 LEU 66 -10.050 -0.702 -4.494 475 H HIS 67 H HIS 67 -8.860 5.170 -3.896 476 HA HIS 67 HA HIS 67 -11.198 5.759 -2.354 477 HB2 HIS 67 1HB HIS 67 -10.255 6.882 -5.001 478 HB3 HIS 67 2HB HIS 67 -11.572 7.540 -4.033 479 HD1 HIS 67 HD1 HIS 67 -10.674 9.697 -3.193 480 HD2 HIS 67 HD2 HIS 67 -7.943 6.596 -2.763 481 HE1 HIS 67 HE1 HIS 67 -8.742 10.675 -1.915 482 HE2 HIS 67 HE2 HIS 67 -7.065 8.804 -1.741 483 H ILE 68 H ILE 68 -13.056 4.709 -2.512 484 HA ILE 68 HA ILE 68 -13.900 3.733 -5.160 485 HB ILE 68 HB ILE 68 -14.408 2.348 -2.525 486 HG12 ILE 68 1HG1 ILE 68 -12.037 2.256 -3.455 487 HG13 ILE 68 2HG1 ILE 68 -12.822 0.707 -3.169 488 HG21 ILE 68 1HG2 ILE 68 -15.732 2.199 -5.039 489 HG22 ILE 68 2HG2 ILE 68 -14.884 0.679 -4.758 490 HG23 ILE 68 3HG2 ILE 68 -16.043 1.275 -3.570 491 HD11 ILE 68 3HD1 ILE 68 -11.520 1.358 -5.432 492 HD12 ILE 68 1HD1 ILE 68 -12.811 0.161 -5.342 493 HD13 ILE 68 2HD1 ILE 68 -13.169 1.806 -5.868 494 H GLN 69 H GLN 69 -15.294 5.394 -5.616 495 HA GLN 69 HA GLN 69 -17.291 6.189 -3.662 496 HB2 GLN 69 1HB GLN 69 -17.924 7.893 -5.262 497 HB3 GLN 69 2HB GLN 69 -16.175 7.884 -5.077 498 HG2 GLN 69 1HG GLN 69 -16.448 8.091 -7.356 499 HG3 GLN 69 2HG GLN 69 -16.188 6.359 -7.153 500 HE21 GLN 69 1HE2 GLN 69 -17.635 5.016 -7.986 501 HE22 GLN 69 2HE2 GLN 69 -19.196 5.461 -8.577 502 H ASP 70 H ASP 70 -19.584 6.274 -4.255 503 HA ASP 70 HA ASP 70 -21.529 5.268 -4.872 504 HB2 ASP 70 1HB ASP 70 -20.425 5.862 -7.170 505 HB3 ASP 70 2HB ASP 70 -20.195 4.120 -7.299 506 H ALA 71 H ALA 71 -19.972 3.859 -3.079 507 HA ALA 71 HA ALA 71 -19.266 1.270 -3.571 508 HB1 ALA 71 3HB ALA 71 -20.664 1.177 -1.133 509 HB2 ALA 71 1HB ALA 71 -18.932 1.400 -1.382 510 HB3 ALA 71 2HB ALA 71 -19.994 2.803 -1.266 511 H LEU 72 H LEU 72 -20.397 -0.011 -4.925 512 HA LEU 72 HA LEU 72 -23.289 -0.238 -4.639 513 HB2 LEU 72 1HB LEU 72 -21.313 -1.249 -6.661 514 HB3 LEU 72 2HB LEU 72 -22.985 -1.806 -6.634 515 HG LEU 72 HG LEU 72 -22.192 1.086 -6.944 516 HD11 LEU 72 1HD1 LEU 72 -23.045 0.520 -9.361 517 HD12 LEU 72 2HD1 LEU 72 -22.490 -1.100 -8.942 518 HD13 LEU 72 3HD1 LEU 72 -21.361 0.254 -8.907 519 HD21 LEU 72 3HD2 LEU 72 -24.376 1.552 -6.989 520 HD22 LEU 72 1HD2 LEU 72 -24.604 -0.037 -6.258 521 HD23 LEU 72 2HD2 LEU 72 -24.743 0.157 -8.005 522 HA PRO 73 HA PRO 73 -23.291 -4.013 -2.399 523 HB2 PRO 73 1HB PRO 73 -25.446 -5.273 -3.466 524 HB3 PRO 73 2HB PRO 73 -25.585 -3.876 -2.393 525 HG2 PRO 73 1HG PRO 73 -25.731 -3.992 -5.380 526 HG3 PRO 73 2HG PRO 73 -26.744 -3.081 -4.245 527 HD2 PRO 73 1HD PRO 73 -24.720 -1.936 -5.631 528 HD3 PRO 73 2HD PRO 73 -25.184 -1.402 -4.003 529 H GLU 74 H GLU 74 -22.607 -3.914 -5.688 530 HA GLU 74 HA GLU 74 -22.279 -6.802 -5.959 531 HB2 GLU 74 1HB GLU 74 -21.557 -4.764 -8.048 532 HB3 GLU 74 2HB GLU 74 -22.000 -6.451 -8.269 533 HG2 GLU 74 1HG GLU 74 -23.979 -4.536 -7.124 534 HG3 GLU 74 2HG GLU 74 -23.688 -4.573 -8.862 535 H ASP 75 H ASP 75 -20.440 -3.927 -5.400 536 HA ASP 75 HA ASP 75 -17.899 -4.853 -6.210 537 HB2 ASP 75 1HB ASP 75 -18.907 -2.655 -4.466 538 HB3 ASP 75 2HB ASP 75 -17.206 -3.094 -4.337 539 H HIS 76 H HIS 76 -19.655 -5.063 -3.156 540 HA HIS 76 HA HIS 76 -17.897 -5.838 -1.313 541 HB2 HIS 76 1HB HIS 76 -20.040 -6.056 -0.526 542 HB3 HIS 76 2HB HIS 76 -20.609 -6.861 -1.986 543 HD1 HIS 76 HD1 HIS 76 -20.920 -9.321 -1.824 544 HD2 HIS 76 HD2 HIS 76 -18.451 -7.857 1.180 545 HE1 HIS 76 HE1 HIS 76 -20.467 -11.279 -0.312 546 HE2 HIS 76 HE2 HIS 76 -19.041 -10.349 1.545 547 H GLY 77 H GLY 77 -16.084 -6.980 -1.537 548 HA2 GLY 77 1HA GLY 77 -16.261 -9.756 -2.355 549 HA3 GLY 77 2HA GLY 77 -15.294 -8.738 -3.411 550 H THR 78 H THR 78 -13.228 -9.193 -3.038 551 HA THR 78 HA THR 78 -12.274 -9.080 -0.260 552 HB THR 78 HB THR 78 -11.310 -11.104 -2.289 553 HG1 THR 78 HG1 THR 78 -13.338 -11.727 -1.548 554 HG21 THR 78 3HG2 THR 78 -10.013 -12.028 -0.484 555 HG22 THR 78 1HG2 THR 78 -10.702 -10.876 0.659 556 HG23 THR 78 2HG2 THR 78 -9.632 -10.313 -0.625 557 H TYR 79 H TYR 79 -11.250 -7.148 -0.367 558 HA TYR 79 HA TYR 79 -9.643 -6.407 -2.643 559 HB2 TYR 79 1HB TYR 79 -10.211 -5.097 0.013 560 HB3 TYR 79 2HB TYR 79 -9.067 -4.420 -1.141 561 HD1 TYR 79 HD2 TYR 79 -12.603 -5.110 -0.462 562 HD2 TYR 79 HD1 TYR 79 -9.831 -3.409 -3.205 563 HE1 TYR 79 HE2 TYR 79 -14.455 -3.986 -1.628 564 HE2 TYR 79 HE1 TYR 79 -11.674 -2.280 -4.378 565 HH TYR 79 HH TYR 79 -14.295 -2.795 -4.613 566 H THR 80 H THR 80 -7.699 -7.253 -2.944 567 HA THR 80 HA THR 80 -6.012 -7.790 -0.587 568 HB THR 80 HB THR 80 -5.968 -9.151 -3.288 569 HG1 THR 80 HG1 THR 80 -6.968 -10.780 -2.283 570 HG21 THR 80 3HG2 THR 80 -4.422 -10.314 -1.088 571 HG22 THR 80 1HG2 THR 80 -3.810 -8.760 -1.650 572 HG23 THR 80 2HG2 THR 80 -3.992 -10.099 -2.784 573 H CYS 81 H CYS 81 -4.411 -6.387 -0.349 574 HA CYS 81 HA CYS 81 -3.420 -4.927 -2.685 575 HB2 CYS 81 1HB CYS 81 -4.147 -3.611 -0.727 576 HB3 CYS 81 2HB CYS 81 -2.941 -4.428 0.261 577 HG CYS 81 HG CYS 81 -2.307 -2.307 -2.349 578 H LEU 82 H LEU 82 -1.758 -5.846 -3.687 579 HA LEU 82 HA LEU 82 0.189 -7.389 -2.137 580 HB2 LEU 82 1HB LEU 82 -0.501 -8.657 -3.947 581 HB3 LEU 82 2HB LEU 82 -0.567 -7.264 -5.024 582 HG LEU 82 HG LEU 82 1.870 -7.226 -5.141 583 HD11 LEU 82 1HD1 LEU 82 1.689 -8.793 -2.803 584 HD12 LEU 82 2HD1 LEU 82 3.140 -8.210 -3.617 585 HD13 LEU 82 3HD1 LEU 82 2.468 -9.785 -4.036 586 HD21 LEU 82 3HD2 LEU 82 0.355 -9.692 -5.854 587 HD22 LEU 82 1HD2 LEU 82 2.099 -9.649 -6.115 588 HD23 LEU 82 2HD2 LEU 82 1.061 -8.458 -6.899 589 H ALA 83 H ALA 83 2.218 -6.717 -1.795 590 HA ALA 83 HA ALA 83 3.256 -4.470 -3.374 591 HB1 ALA 83 3HB ALA 83 2.411 -4.284 -0.685 592 HB2 ALA 83 1HB ALA 83 4.173 -4.191 -0.691 593 HB3 ALA 83 2HB ALA 83 3.226 -3.062 -1.661 594 H GLU 84 H GLU 84 4.936 -5.370 -4.393 595 HA GLU 84 HA GLU 84 6.906 -6.826 -2.761 596 HB2 GLU 84 1HB GLU 84 7.295 -8.402 -4.505 597 HB3 GLU 84 2HB GLU 84 5.556 -8.339 -4.253 598 HG2 GLU 84 1HG GLU 84 5.179 -7.206 -6.243 599 HG3 GLU 84 2HG GLU 84 6.854 -6.670 -6.366 600 H ASN 85 H ASN 85 9.090 -6.606 -3.393 601 HA ASN 85 HA ASN 85 9.689 -4.619 -5.452 602 HB2 ASN 85 1HB ASN 85 11.050 -3.272 -4.008 603 HB3 ASN 85 2HB ASN 85 9.476 -3.445 -3.237 604 HD21 ASN 85 1HD2 ASN 85 10.837 -2.753 -1.378 605 HD22 ASN 85 2HD2 ASN 85 11.607 -3.990 -0.451 606 H ALA 86 H ALA 86 12.307 -4.338 -5.296 607 HA ALA 86 HA ALA 86 13.344 -6.769 -6.253 608 HB1 ALA 86 3HB ALA 86 14.504 -5.005 -7.113 609 HB2 ALA 86 1HB ALA 86 14.476 -4.103 -5.597 610 HB3 ALA 86 2HB ALA 86 15.595 -5.451 -5.801 611 H LEU 87 H LEU 87 13.049 -5.517 -3.065 612 HA LEU 87 HA LEU 87 15.127 -7.172 -1.930 613 HB2 LEU 87 1HB LEU 87 13.157 -5.198 -0.908 614 HB3 LEU 87 2HB LEU 87 13.798 -6.384 0.227 615 HG LEU 87 HG LEU 87 14.954 -4.140 0.178 616 HD11 LEU 87 1HD1 LEU 87 17.262 -5.581 -0.290 617 HD12 LEU 87 2HD1 LEU 87 16.090 -6.809 0.183 618 HD13 LEU 87 3HD1 LEU 87 16.409 -5.440 1.247 619 HD21 LEU 87 3HD2 LEU 87 16.777 -4.213 -1.729 620 HD22 LEU 87 1HD2 LEU 87 15.202 -3.464 -1.990 621 HD23 LEU 87 2HD2 LEU 87 15.511 -5.096 -2.583 622 H GLY 88 H GLY 88 11.698 -6.949 -0.994 623 HA2 GLY 88 1HA GLY 88 11.598 -9.899 -1.025 624 HA3 GLY 88 2HA GLY 88 10.995 -8.983 0.348 625 H GLN 89 H GLN 89 8.958 -10.051 -0.013 626 HA GLN 89 HA GLN 89 7.228 -8.492 -1.699 627 HB2 GLN 89 1HB GLN 89 6.328 -10.387 -2.973 628 HB3 GLN 89 2HB GLN 89 8.030 -10.123 -3.327 629 HG2 GLN 89 1HG GLN 89 8.691 -12.013 -2.110 630 HG3 GLN 89 2HG GLN 89 7.128 -12.143 -1.305 631 HE21 GLN 89 1HE2 GLN 89 5.318 -12.093 -3.215 632 HE22 GLN 89 2HE2 GLN 89 5.544 -13.372 -4.354 633 H VAL 90 H VAL 90 5.232 -8.361 -0.844 634 HA VAL 90 HA VAL 90 4.304 -10.438 0.990 635 HB VAL 90 HB VAL 90 3.683 -8.832 2.718 636 HG11 VAL 90 1HG1 VAL 90 5.946 -9.971 2.667 637 HG12 VAL 90 2HG1 VAL 90 6.599 -8.432 2.102 638 HG13 VAL 90 3HG1 VAL 90 5.816 -8.534 3.680 639 HG21 VAL 90 3HG2 VAL 90 3.520 -6.665 2.261 640 HG22 VAL 90 1HG2 VAL 90 5.268 -6.586 2.042 641 HG23 VAL 90 2HG2 VAL 90 4.221 -6.932 0.666 642 H SER 91 H SER 91 2.011 -10.230 1.521 643 HA SER 91 HA SER 91 0.433 -8.427 -0.120 644 HB2 SER 91 1HB SER 91 -0.682 -10.041 -1.400 645 HB3 SER 91 2HB SER 91 0.993 -10.595 -1.438 646 HG SER 91 HG SER 91 0.198 -11.816 0.579 647 H CYS 92 H CYS 92 -1.713 -8.209 0.576 648 HA CYS 92 HA CYS 92 -2.532 -9.739 2.929 649 HB2 CYS 92 1HB CYS 92 -2.986 -7.826 4.263 650 HB3 CYS 92 2HB CYS 92 -1.354 -7.609 3.643 651 HG CYS 92 HG CYS 92 -2.352 -5.105 3.516 652 H SER 93 H SER 93 -4.847 -9.016 3.575 653 HA SER 93 HA SER 93 -6.459 -8.107 1.341 654 HB2 SER 93 1HB SER 93 -7.931 -10.144 1.465 655 HB3 SER 93 2HB SER 93 -6.328 -10.447 0.795 656 HG SER 93 HG SER 93 -5.705 -11.331 2.755 657 H ALA 94 H ALA 94 -8.857 -8.160 1.993 658 HA ALA 94 HA ALA 94 -9.366 -8.035 4.838 659 HB1 ALA 94 3HB ALA 94 -10.393 -5.588 4.081 660 HB2 ALA 94 1HB ALA 94 -8.937 -5.858 5.039 661 HB3 ALA 94 2HB ALA 94 -8.816 -5.639 3.293 662 H TRP 95 H TRP 95 -11.631 -7.771 5.339 663 HA TRP 95 HA TRP 95 -13.343 -8.640 3.111 664 HB2 TRP 95 1HB TRP 95 -13.218 -10.239 4.946 665 HB3 TRP 95 2HB TRP 95 -13.691 -8.991 6.096 666 HD1 TRP 95 HD1 TRP 95 -16.276 -8.073 5.870 667 HE1 TRP 95 HE1 TRP 95 -18.398 -9.315 5.108 668 HE3 TRP 95 HE3 TRP 95 -14.087 -12.001 3.439 669 HZ2 TRP 95 HZ2 TRP 95 -19.056 -11.652 3.668 670 HZ3 TRP 95 HZ3 TRP 95 -15.534 -13.697 2.397 671 HH2 TRP 95 HH2 TRP 95 -17.967 -13.525 2.511 672 H VAL 96 H VAL 96 -14.089 -6.759 2.245 673 HA VAL 96 HA VAL 96 -15.256 -4.751 4.030 674 HB VAL 96 HB VAL 96 -14.670 -4.641 1.069 675 HG11 VAL 96 1HG1 VAL 96 -16.471 -3.208 1.267 676 HG12 VAL 96 2HG1 VAL 96 -16.051 -2.738 2.915 677 HG13 VAL 96 3HG1 VAL 96 -15.111 -2.123 1.554 678 HG21 VAL 96 3HG2 VAL 96 -13.246 -3.699 3.512 679 HG22 VAL 96 1HG2 VAL 96 -12.602 -4.434 2.045 680 HG23 VAL 96 2HG2 VAL 96 -13.124 -2.750 2.031 681 H THR 97 H THR 97 -17.393 -4.261 4.064 682 HA THR 97 HA THR 97 -19.157 -5.846 2.311 683 HB THR 97 HB THR 97 -19.803 -4.960 5.127 684 HG1 THR 97 HG1 THR 97 -18.623 -7.296 4.104 685 HG21 THR 97 3HG2 THR 97 -21.224 -7.166 3.741 686 HG22 THR 97 1HG2 THR 97 -21.572 -5.521 3.209 687 HG23 THR 97 2HG2 THR 97 -21.831 -5.977 4.893 688 H VAL 98 H VAL 98 -20.949 -4.847 1.438 689 HA VAL 98 HA VAL 98 -21.156 -1.939 1.880 690 HB VAL 98 HB VAL 98 -21.650 -3.369 -0.734 691 HG11 VAL 98 1HG1 VAL 98 -21.379 -0.821 -1.430 692 HG12 VAL 98 2HG1 VAL 98 -22.935 -1.502 -0.951 693 HG13 VAL 98 3HG1 VAL 98 -21.982 -0.576 0.209 694 HG21 VAL 98 3HG2 VAL 98 -19.457 -1.446 -0.622 695 HG22 VAL 98 1HG2 VAL 98 -19.199 -2.867 0.390 696 HG23 VAL 98 2HG2 VAL 98 -19.516 -3.059 -1.334 697 H HIS 99 H HIS 99 -23.004 -1.482 2.866 698 HA HIS 99 HA HIS 99 -25.236 -3.269 2.871 699 HB2 HIS 99 1HB HIS 99 -25.019 -0.422 3.871 700 HB3 HIS 99 2HB HIS 99 -26.345 -1.527 4.219 701 HD1 HIS 99 HD1 HIS 99 -25.665 -3.695 5.663 702 HD2 HIS 99 HD2 HIS 99 -22.903 -0.592 5.587 703 HE1 HIS 99 HE1 HIS 99 -24.114 -4.128 7.594 704 HE2 HIS 99 HE2 HIS 99 -22.503 -2.192 7.579 Start of MODEL 11 1 H1 GLY 1 H GLY 1 33.928 5.308 -5.843 2 HA2 GLY 1 1HA GLY 1 34.148 3.358 -3.873 3 HA3 GLY 1 2HA GLY 1 33.524 4.799 -3.083 4 H SER 2 H SER 2 31.399 4.763 -2.871 5 HA SER 2 HA SER 2 29.790 3.131 -4.664 6 HB2 SER 2 1HB SER 2 27.940 3.700 -3.058 7 HB3 SER 2 2HB SER 2 29.311 2.873 -2.318 8 HG SER 2 HG SER 2 29.917 4.711 -1.340 9 H SER 3 H SER 3 28.720 3.925 -6.341 10 HA SER 3 HA SER 3 28.890 6.328 -7.480 11 HB2 SER 3 1HB SER 3 26.423 4.590 -7.321 12 HB3 SER 3 2HB SER 3 26.551 5.985 -8.393 13 HG SER 3 HG SER 3 28.577 4.054 -8.446 14 H GLY 4 H GLY 4 26.141 5.578 -5.323 15 HA2 GLY 4 1HA GLY 4 26.082 8.446 -4.610 16 HA3 GLY 4 2HA GLY 4 24.620 7.501 -4.851 17 H SER 5 H SER 5 26.177 8.936 -2.516 18 HA SER 5 HA SER 5 26.446 6.820 -0.584 19 HB2 SER 5 1HB SER 5 26.559 9.831 -0.345 20 HB3 SER 5 2HB SER 5 26.787 8.741 1.022 21 HG SER 5 HG SER 5 28.631 7.974 0.111 22 H SER 6 H SER 6 24.454 5.832 -0.383 23 HA SER 6 HA SER 6 22.382 7.459 0.931 24 HB2 SER 6 1HB SER 6 20.653 6.142 -0.211 25 HB3 SER 6 2HB SER 6 21.690 6.959 -1.381 26 HG SER 6 HG SER 6 21.833 4.237 -0.588 27 H GLY 7 H GLY 7 20.753 6.004 2.094 28 HA2 GLY 7 1HA GLY 7 22.121 4.505 4.046 29 HA3 GLY 7 2HA GLY 7 20.378 4.547 3.827 30 H MET 8 H MET 8 19.562 2.583 3.604 31 HA MET 8 HA MET 8 20.790 0.732 1.720 32 HB2 MET 8 1HB MET 8 21.824 0.131 3.846 33 HB3 MET 8 2HB MET 8 20.241 0.010 4.604 34 HG2 MET 8 1HG MET 8 19.698 -1.821 3.001 35 HG3 MET 8 2HG MET 8 21.371 -1.759 2.452 36 HE1 MET 8 3HE MET 8 20.526 -4.164 2.887 37 HE2 MET 8 1HE MET 8 21.619 -4.953 4.026 38 HE3 MET 8 2HE MET 8 19.927 -4.700 4.458 39 H GLU 9 H GLU 9 19.347 -0.654 0.754 40 HA GLU 9 HA GLU 9 16.645 0.092 0.688 41 HB2 GLU 9 1HB GLU 9 18.066 -2.387 -0.276 42 HB3 GLU 9 2HB GLU 9 16.353 -2.107 -0.553 43 HG2 GLU 9 1HG GLU 9 17.208 -1.307 -2.501 44 HG3 GLU 9 2HG GLU 9 17.212 0.169 -1.537 45 H VAL 10 H VAL 10 14.909 -1.782 0.907 46 HA VAL 10 HA VAL 10 15.278 -3.473 3.214 47 HB VAL 10 HB VAL 10 13.126 -2.384 4.252 48 HG11 VAL 10 1HG1 VAL 10 15.442 -2.590 5.232 49 HG12 VAL 10 2HG1 VAL 10 15.757 -0.968 4.612 50 HG13 VAL 10 3HG1 VAL 10 14.485 -1.225 5.807 51 HG21 VAL 10 3HG2 VAL 10 14.384 0.053 3.015 52 HG22 VAL 10 1HG2 VAL 10 12.974 -0.752 2.328 53 HG23 VAL 10 2HG2 VAL 10 12.888 -0.049 3.943 54 H ALA 11 H ALA 11 13.328 -4.770 3.682 55 HA ALA 11 HA ALA 11 12.002 -5.480 1.197 56 HB1 ALA 11 3HB ALA 11 13.001 -6.987 3.224 57 HB2 ALA 11 1HB ALA 11 11.281 -6.968 3.619 58 HB3 ALA 11 2HB ALA 11 11.819 -7.550 2.043 59 HA PRO 12 HA PRO 12 8.132 -3.581 2.034 60 HB2 PRO 12 1HB PRO 12 6.428 -5.349 0.878 61 HB3 PRO 12 2HB PRO 12 7.478 -4.277 -0.055 62 HG2 PRO 12 1HG PRO 12 7.858 -7.163 0.644 63 HG3 PRO 12 2HG PRO 12 8.150 -6.337 -0.898 64 HD2 PRO 12 1HD PRO 12 10.144 -6.943 0.831 65 HD3 PRO 12 2HD PRO 12 10.187 -5.506 -0.211 66 H SER 13 H SER 13 6.616 -3.531 3.612 67 HA SER 13 HA SER 13 5.640 -5.936 4.865 68 HB2 SER 13 1HB SER 13 7.328 -3.999 6.469 69 HB3 SER 13 2HB SER 13 6.419 -5.357 7.132 70 HG SER 13 HG SER 13 7.761 -6.764 6.065 71 H PHE 14 H PHE 14 3.697 -5.630 5.854 72 HA PHE 14 HA PHE 14 2.516 -2.980 5.567 73 HB2 PHE 14 1HB PHE 14 1.359 -5.721 6.053 74 HB3 PHE 14 2HB PHE 14 0.385 -4.260 6.180 75 HD1 PHE 14 HD2 PHE 14 0.454 -2.677 4.110 76 HD2 PHE 14 HD1 PHE 14 1.530 -6.794 4.025 77 HE1 PHE 14 HE2 PHE 14 0.068 -2.724 1.680 78 HE2 PHE 14 HE1 PHE 14 1.147 -6.847 1.595 79 HZ PHE 14 HZ PHE 14 0.413 -4.811 0.420 80 H SER 15 H SER 15 2.657 -1.638 7.232 81 HA SER 15 HA SER 15 3.122 -2.565 9.909 82 HB2 SER 15 1HB SER 15 4.205 -0.536 9.387 83 HB3 SER 15 2HB SER 15 2.750 0.156 8.669 84 HG SER 15 HG SER 15 2.689 -0.574 11.368 85 H SER 16 H SER 16 0.422 -1.073 8.175 86 HA SER 16 HA SER 16 -1.342 -1.900 10.382 87 HB2 SER 16 1HB SER 16 -1.163 0.749 8.999 88 HB3 SER 16 2HB SER 16 -2.733 0.190 9.576 89 HG SER 16 HG SER 16 -2.069 0.996 11.404 90 H VAL 17 H VAL 17 -1.497 -3.801 8.913 91 HA VAL 17 HA VAL 17 -2.453 -3.876 6.359 92 HB VAL 17 HB VAL 17 -3.476 -6.035 6.865 93 HG11 VAL 17 1HG1 VAL 17 -0.772 -5.295 7.726 94 HG12 VAL 17 2HG1 VAL 17 -1.356 -6.830 8.372 95 HG13 VAL 17 3HG1 VAL 17 -1.308 -6.567 6.628 96 HG21 VAL 17 3HG2 VAL 17 -4.424 -5.203 9.087 97 HG22 VAL 17 1HG2 VAL 17 -3.824 -6.860 9.033 98 HG23 VAL 17 2HG2 VAL 17 -2.845 -5.591 9.769 99 H LEU 18 H LEU 18 -4.625 -4.330 5.517 100 HA LEU 18 HA LEU 18 -6.470 -2.327 6.299 101 HB2 LEU 18 1HB LEU 18 -6.810 -4.701 4.472 102 HB3 LEU 18 2HB LEU 18 -7.969 -3.383 4.635 103 HG LEU 18 HG LEU 18 -5.155 -2.789 3.819 104 HD11 LEU 18 1HD1 LEU 18 -5.398 -3.475 1.676 105 HD12 LEU 18 2HD1 LEU 18 -7.148 -3.259 1.685 106 HD13 LEU 18 3HD1 LEU 18 -6.432 -4.683 2.440 107 HD21 LEU 18 3HD2 LEU 18 -6.976 -1.072 4.410 108 HD22 LEU 18 1HD2 LEU 18 -7.694 -1.517 2.861 109 HD23 LEU 18 2HD2 LEU 18 -6.065 -0.844 2.916 110 H LYS 19 H LYS 19 -8.616 -2.586 7.091 111 HA LYS 19 HA LYS 19 -9.135 -5.104 8.515 112 HB2 LYS 19 1HB LYS 19 -9.449 -2.327 9.669 113 HB3 LYS 19 2HB LYS 19 -9.963 -3.814 10.455 114 HG2 LYS 19 1HG LYS 19 -7.125 -3.586 9.611 115 HG3 LYS 19 2HG LYS 19 -7.659 -2.667 11.020 116 HD2 LYS 19 1HD LYS 19 -8.392 -4.665 12.123 117 HD3 LYS 19 2HD LYS 19 -8.107 -5.629 10.672 118 HE2 LYS 19 1HE LYS 19 -6.223 -6.094 11.914 119 HE3 LYS 19 2HE LYS 19 -5.663 -4.756 10.912 120 HZ1 LYS 19 3HZ LYS 19 -5.231 -3.592 12.727 121 HZ2 LYS 19 1HZ LYS 19 -5.683 -4.910 13.686 122 HZ3 LYS 19 2HZ LYS 19 -6.828 -3.739 13.264 123 H ASP 20 H ASP 20 -11.221 -5.785 8.501 124 HA ASP 20 HA ASP 20 -12.991 -5.183 6.573 125 HB2 ASP 20 1HB ASP 20 -14.698 -6.243 7.841 126 HB3 ASP 20 2HB ASP 20 -13.186 -6.994 8.343 127 H CYS 21 H CYS 21 -14.642 -3.758 6.169 128 HA CYS 21 HA CYS 21 -15.160 -1.640 8.121 129 HB2 CYS 21 1HB CYS 21 -14.978 0.082 6.334 130 HB3 CYS 21 2HB CYS 21 -13.443 -0.696 6.703 131 HG CYS 21 HG CYS 21 -14.909 -0.372 3.818 132 H ALA 22 H ALA 22 -17.192 -0.700 7.974 133 HA ALA 22 HA ALA 22 -19.062 -2.088 6.171 134 HB1 ALA 22 3HB ALA 22 -20.584 -0.872 8.139 135 HB2 ALA 22 1HB ALA 22 -20.145 -2.579 8.052 136 HB3 ALA 22 2HB ALA 22 -19.160 -1.461 8.997 137 H VAL 23 H VAL 23 -20.315 -0.945 4.803 138 HA VAL 23 HA VAL 23 -20.459 1.969 5.106 139 HB VAL 23 HB VAL 23 -18.617 1.281 3.479 140 HG11 VAL 23 1HG1 VAL 23 -20.456 0.994 1.265 141 HG12 VAL 23 2HG1 VAL 23 -19.063 0.005 1.709 142 HG13 VAL 23 3HG1 VAL 23 -20.639 -0.313 2.434 143 HG21 VAL 23 3HG2 VAL 23 -18.929 3.207 2.268 144 HG22 VAL 23 1HG2 VAL 23 -20.656 2.922 2.054 145 HG23 VAL 23 2HG2 VAL 23 -20.041 3.486 3.608 146 H ILE 24 H ILE 24 -22.274 2.941 4.156 147 HA ILE 24 HA ILE 24 -24.507 1.112 3.762 148 HB ILE 24 HB ILE 24 -24.353 4.090 4.174 149 HG12 ILE 24 1HG1 ILE 24 -25.873 3.417 6.121 150 HG13 ILE 24 2HG1 ILE 24 -25.424 1.755 5.755 151 HG21 ILE 24 1HG2 ILE 24 -26.108 3.990 2.664 152 HG22 ILE 24 2HG2 ILE 24 -26.648 2.415 3.241 153 HG23 ILE 24 3HG2 ILE 24 -26.929 3.856 4.218 154 HD11 ILE 24 3HD1 ILE 24 -23.073 2.323 6.130 155 HD12 ILE 24 1HD1 ILE 24 -23.546 3.974 6.531 156 HD13 ILE 24 2HD1 ILE 24 -24.069 2.634 7.552 157 H GLU 25 H GLU 25 -25.822 1.084 1.942 158 HA GLU 25 HA GLU 25 -24.598 1.338 -0.540 159 HB2 GLU 25 1HB GLU 25 -26.610 -0.045 -0.063 160 HB3 GLU 25 2HB GLU 25 -27.567 1.427 0.020 161 HG2 GLU 25 1HG GLU 25 -26.719 1.876 -2.357 162 HG3 GLU 25 2HG GLU 25 -26.251 0.176 -2.358 163 H GLY 26 H GLY 26 -23.942 3.113 -1.550 164 HA2 GLY 26 1HA GLY 26 -24.579 5.094 -2.782 165 HA3 GLY 26 2HA GLY 26 -25.695 5.483 -1.481 166 H GLN 27 H GLN 27 -22.989 4.380 -0.003 167 HA GLN 27 HA GLN 27 -22.042 7.111 0.468 168 HB2 GLN 27 1HB GLN 27 -22.029 4.586 2.046 169 HB3 GLN 27 2HB GLN 27 -20.727 5.734 2.328 170 HG2 GLN 27 1HG GLN 27 -23.651 6.422 2.483 171 HG3 GLN 27 2HG GLN 27 -22.659 5.970 3.868 172 HE21 GLN 27 1HE2 GLN 27 -24.005 8.515 2.501 173 HE22 GLN 27 2HE2 GLN 27 -22.846 9.744 2.859 174 H ASP 28 H ASP 28 -19.613 7.229 0.992 175 HA ASP 28 HA ASP 28 -18.144 5.723 -1.073 176 HB2 ASP 28 1HB ASP 28 -16.579 7.767 -1.008 177 HB3 ASP 28 2HB ASP 28 -18.136 7.951 -1.812 178 H PHE 29 H PHE 29 -15.957 5.163 -0.624 179 HA PHE 29 HA PHE 29 -14.909 5.534 2.038 180 HB2 PHE 29 1HB PHE 29 -14.874 3.261 2.723 181 HB3 PHE 29 2HB PHE 29 -16.520 3.574 2.184 182 HD1 PHE 29 HD2 PHE 29 -13.325 1.976 1.279 183 HD2 PHE 29 HD1 PHE 29 -17.458 2.406 0.353 184 HE1 PHE 29 HE2 PHE 29 -13.173 0.071 -0.271 185 HE2 PHE 29 HE1 PHE 29 -17.312 0.501 -1.197 186 HZ PHE 29 HZ PHE 29 -15.167 -0.669 -1.512 187 H VAL 30 H VAL 30 -12.722 5.392 2.085 188 HA VAL 30 HA VAL 30 -11.390 4.417 -0.359 189 HB VAL 30 HB VAL 30 -11.158 6.788 -0.358 190 HG11 VAL 30 1HG1 VAL 30 -11.725 7.013 2.096 191 HG12 VAL 30 2HG1 VAL 30 -10.021 6.695 2.426 192 HG13 VAL 30 3HG1 VAL 30 -10.488 8.111 1.484 193 HG21 VAL 30 3HG2 VAL 30 -8.654 5.485 0.706 194 HG22 VAL 30 1HG2 VAL 30 -9.145 5.626 -0.983 195 HG23 VAL 30 2HG2 VAL 30 -8.708 7.069 -0.068 196 H LEU 31 H LEU 31 -10.742 2.427 0.323 197 HA LEU 31 HA LEU 31 -9.891 1.668 2.839 198 HB2 LEU 31 1HB LEU 31 -8.901 0.623 0.190 199 HB3 LEU 31 2HB LEU 31 -8.756 -0.200 1.741 200 HG LEU 31 HG LEU 31 -11.457 0.511 0.666 201 HD11 LEU 31 1HD1 LEU 31 -10.020 -0.727 -1.061 202 HD12 LEU 31 2HD1 LEU 31 -11.597 -1.401 -0.655 203 HD13 LEU 31 3HD1 LEU 31 -10.135 -2.103 0.037 204 HD21 LEU 31 3HD2 LEU 31 -10.913 -2.024 2.056 205 HD22 LEU 31 1HD2 LEU 31 -12.230 -0.870 2.266 206 HD23 LEU 31 2HD2 LEU 31 -10.663 -0.565 3.015 207 H GLN 32 H GLN 32 -8.378 2.654 4.010 208 HA GLN 32 HA GLN 32 -5.895 3.503 2.685 209 HB2 GLN 32 1HB GLN 32 -7.198 5.255 3.876 210 HB3 GLN 32 2HB GLN 32 -6.980 4.359 5.373 211 HG2 GLN 32 1HG GLN 32 -4.449 4.565 4.808 212 HG3 GLN 32 2HG GLN 32 -4.984 5.891 3.775 213 HE21 GLN 32 1HE2 GLN 32 -3.315 6.573 5.689 214 HE22 GLN 32 2HE2 GLN 32 -4.115 7.381 6.989 215 H CYS 33 H CYS 33 -3.959 2.691 3.288 216 HA CYS 33 HA CYS 33 -3.703 1.154 5.737 217 HB2 CYS 33 1HB CYS 33 -2.801 -0.830 4.561 218 HB3 CYS 33 2HB CYS 33 -4.496 -0.543 4.191 219 HG CYS 33 HG CYS 33 -3.488 0.967 1.781 220 H SER 34 H SER 34 -1.474 0.599 6.229 221 HA SER 34 HA SER 34 0.411 2.448 4.926 222 HB2 SER 34 1HB SER 34 -0.173 2.785 7.392 223 HB3 SER 34 2HB SER 34 0.722 1.296 7.698 224 HG SER 34 HG SER 34 1.886 3.411 7.820 225 H VAL 35 H VAL 35 2.270 1.693 4.082 226 HA VAL 35 HA VAL 35 3.198 -0.989 4.742 227 HB VAL 35 HB VAL 35 1.766 -1.527 2.915 228 HG11 VAL 35 1HG1 VAL 35 2.074 -0.393 0.685 229 HG12 VAL 35 2HG1 VAL 35 1.330 0.594 1.945 230 HG13 VAL 35 3HG1 VAL 35 3.028 0.827 1.527 231 HG21 VAL 35 3HG2 VAL 35 3.272 -2.813 1.875 232 HG22 VAL 35 1HG2 VAL 35 4.160 -1.421 1.257 233 HG23 VAL 35 2HG2 VAL 35 4.473 -2.012 2.888 234 H ARG 36 H ARG 36 5.334 -0.968 4.957 235 HA ARG 36 HA ARG 36 6.835 1.292 3.858 236 HB2 ARG 36 1HB ARG 36 7.728 -0.773 5.876 237 HB3 ARG 36 2HB ARG 36 8.570 0.710 5.450 238 HG2 ARG 36 1HG ARG 36 7.088 2.045 6.602 239 HG3 ARG 36 2HG ARG 36 5.793 0.848 6.528 240 HD2 ARG 36 1HD ARG 36 8.325 0.434 8.100 241 HD3 ARG 36 2HD ARG 36 6.880 1.177 8.787 242 HE ARG 36 HE ARG 36 6.000 -1.176 7.716 243 HH11 ARG 36 2HH1 ARG 36 8.447 -0.280 10.024 244 HH12 ARG 36 1HH1 ARG 36 8.327 -1.758 10.921 245 HH21 ARG 36 2HH2 ARG 36 5.833 -3.125 8.888 246 HH22 ARG 36 1HH2 ARG 36 6.840 -3.375 10.273 247 H GLY 37 H GLY 37 9.289 0.542 3.472 248 HA2 GLY 37 1HA GLY 37 10.336 -1.669 2.588 249 HA3 GLY 37 2HA GLY 37 9.087 -1.494 1.365 250 H THR 38 H THR 38 11.678 -1.628 0.573 251 HA THR 38 HA THR 38 11.994 0.873 -0.795 252 HB THR 38 HB THR 38 14.261 0.036 1.018 253 HG1 THR 38 HG1 THR 38 12.205 1.961 1.345 254 HG21 THR 38 3HG2 THR 38 14.192 2.772 0.028 255 HG22 THR 38 1HG2 THR 38 14.267 1.584 -1.273 256 HG23 THR 38 2HG2 THR 38 15.500 1.590 -0.012 257 HA PRO 39 HA PRO 39 12.626 1.616 -2.501 258 HB2 PRO 39 1HB PRO 39 11.730 1.166 -5.024 259 HB3 PRO 39 2HB PRO 39 13.423 1.516 -4.654 260 HG2 PRO 39 1HG PRO 39 12.101 -1.122 -5.160 261 HG3 PRO 39 2HG PRO 39 13.661 -0.521 -5.751 262 HD2 PRO 39 1HD PRO 39 13.456 -2.227 -3.659 263 HD3 PRO 39 2HD PRO 39 14.740 -1.007 -3.774 264 H VAL 40 H VAL 40 10.509 2.493 -2.823 265 HA VAL 40 HA VAL 40 8.451 1.421 -1.457 266 HB VAL 40 HB VAL 40 8.647 3.697 -2.761 267 HG11 VAL 40 1HG1 VAL 40 7.364 3.858 -4.748 268 HG12 VAL 40 2HG1 VAL 40 8.469 2.501 -4.976 269 HG13 VAL 40 3HG1 VAL 40 6.775 2.204 -4.585 270 HG21 VAL 40 3HG2 VAL 40 6.982 3.233 -1.062 271 HG22 VAL 40 1HG2 VAL 40 6.229 4.047 -2.433 272 HG23 VAL 40 2HG2 VAL 40 6.023 2.309 -2.217 273 HA PRO 41 HA PRO 41 7.233 -2.202 -3.706 274 HB2 PRO 41 1HB PRO 41 5.004 -2.743 -2.253 275 HB3 PRO 41 2HB PRO 41 6.638 -3.071 -1.664 276 HG2 PRO 41 1HG PRO 41 4.834 -0.759 -1.059 277 HG3 PRO 41 2HG PRO 41 5.860 -1.697 0.043 278 HD2 PRO 41 1HD PRO 41 6.588 0.729 -0.915 279 HD3 PRO 41 2HD PRO 41 7.767 -0.548 -0.552 280 H ARG 42 H ARG 42 5.616 -2.857 -5.161 281 HA ARG 42 HA ARG 42 4.180 -0.703 -6.397 282 HB2 ARG 42 1HB ARG 42 4.517 -3.628 -6.979 283 HB3 ARG 42 2HB ARG 42 3.306 -2.687 -7.838 284 HG2 ARG 42 1HG ARG 42 5.243 -2.734 -9.194 285 HG3 ARG 42 2HG ARG 42 5.139 -1.113 -8.505 286 HD2 ARG 42 1HD ARG 42 6.933 -1.449 -7.100 287 HD3 ARG 42 2HD ARG 42 6.728 -3.201 -7.088 288 HE ARG 42 HE ARG 42 8.333 -1.685 -8.881 289 HH11 ARG 42 2HH1 ARG 42 6.330 -4.524 -8.665 290 HH12 ARG 42 1HH1 ARG 42 7.148 -5.358 -9.944 291 HH21 ARG 42 2HH2 ARG 42 9.418 -2.773 -10.567 292 HH22 ARG 42 1HH2 ARG 42 8.905 -4.361 -11.025 293 H ILE 43 H ILE 43 2.090 -0.172 -6.206 294 HA ILE 43 HA ILE 43 0.461 -1.720 -4.331 295 HB ILE 43 HB ILE 43 -0.053 1.026 -5.478 296 HG12 ILE 43 1HG1 ILE 43 1.879 1.190 -4.097 297 HG13 ILE 43 2HG1 ILE 43 0.528 1.748 -3.116 298 HG21 ILE 43 1HG2 ILE 43 -1.673 -0.807 -3.942 299 HG22 ILE 43 2HG2 ILE 43 -1.432 0.715 -3.085 300 HG23 ILE 43 3HG2 ILE 43 -2.118 0.717 -4.709 301 HD11 ILE 43 3HD1 ILE 43 0.568 -0.876 -2.476 302 HD12 ILE 43 1HD1 ILE 43 2.280 -0.575 -2.776 303 HD13 ILE 43 2HD1 ILE 43 1.411 0.386 -1.578 304 H THR 44 H THR 44 -0.725 -3.260 -5.253 305 HA THR 44 HA THR 44 -2.293 -2.557 -7.642 306 HB THR 44 HB THR 44 -0.948 -5.224 -7.167 307 HG1 THR 44 HG1 THR 44 0.558 -4.544 -8.524 308 HG21 THR 44 3HG2 THR 44 -2.061 -4.634 -9.808 309 HG22 THR 44 1HG2 THR 44 -3.276 -4.753 -8.536 310 HG23 THR 44 2HG2 THR 44 -2.175 -6.099 -8.833 311 H TRP 45 H TRP 45 -4.357 -2.555 -7.057 312 HA TRP 45 HA TRP 45 -5.270 -4.291 -4.900 313 HB2 TRP 45 1HB TRP 45 -6.717 -2.116 -6.427 314 HB3 TRP 45 2HB TRP 45 -7.367 -2.995 -5.046 315 HD1 TRP 45 HD1 TRP 45 -4.420 -0.611 -5.859 316 HE1 TRP 45 HE1 TRP 45 -3.896 0.752 -3.739 317 HE3 TRP 45 HE3 TRP 45 -7.708 -2.830 -2.634 318 HZ2 TRP 45 HZ2 TRP 45 -4.760 0.869 -1.055 319 HZ3 TRP 45 HZ3 TRP 45 -7.796 -2.034 -0.307 320 HH2 TRP 45 HH2 TRP 45 -6.352 -0.223 0.464 321 H LEU 46 H LEU 46 -6.483 -6.065 -5.177 322 HA LEU 46 HA LEU 46 -7.554 -6.599 -7.869 323 HB2 LEU 46 1HB LEU 46 -6.499 -8.691 -5.981 324 HB3 LEU 46 2HB LEU 46 -6.984 -8.904 -7.662 325 HG LEU 46 HG LEU 46 -5.016 -7.191 -8.082 326 HD11 LEU 46 1HD1 LEU 46 -4.443 -8.359 -5.381 327 HD12 LEU 46 2HD1 LEU 46 -4.323 -6.683 -5.914 328 HD13 LEU 46 3HD1 LEU 46 -3.144 -7.871 -6.470 329 HD21 LEU 46 3HD2 LEU 46 -4.875 -9.229 -9.163 330 HD22 LEU 46 1HD2 LEU 46 -4.945 -10.150 -7.660 331 HD23 LEU 46 2HD2 LEU 46 -3.472 -9.281 -8.094 332 H LEU 47 H LEU 47 -9.606 -7.353 -8.001 333 HA LEU 47 HA LEU 47 -11.025 -7.807 -5.458 334 HB2 LEU 47 1HB LEU 47 -11.683 -5.731 -6.598 335 HB3 LEU 47 2HB LEU 47 -12.118 -6.667 -8.027 336 HG LEU 47 HG LEU 47 -13.812 -7.853 -6.545 337 HD11 LEU 47 1HD1 LEU 47 -14.549 -6.641 -4.563 338 HD12 LEU 47 2HD1 LEU 47 -13.229 -5.490 -4.766 339 HD13 LEU 47 3HD1 LEU 47 -12.877 -7.177 -4.394 340 HD21 LEU 47 3HD2 LEU 47 -13.888 -5.179 -7.715 341 HD22 LEU 47 1HD2 LEU 47 -15.129 -5.454 -6.493 342 HD23 LEU 47 2HD2 LEU 47 -15.012 -6.527 -7.888 343 H ASN 48 H ASN 48 -11.556 -9.866 -5.201 344 HA ASN 48 HA ASN 48 -12.287 -11.981 -5.602 345 HB2 ASN 48 1HB ASN 48 -13.426 -10.759 -8.126 346 HB3 ASN 48 2HB ASN 48 -13.853 -12.337 -7.471 347 HD21 ASN 48 1HD2 ASN 48 -15.319 -9.722 -7.943 348 HD22 ASN 48 2HD2 ASN 48 -16.138 -9.431 -6.450 349 H GLY 49 H GLY 49 -9.651 -11.408 -6.282 350 HA2 GLY 49 1HA GLY 49 -7.889 -12.452 -7.327 351 HA3 GLY 49 2HA GLY 49 -9.044 -13.609 -7.973 352 H GLN 50 H GLN 50 -9.056 -10.116 -8.480 353 HA GLN 50 HA GLN 50 -8.077 -10.450 -11.202 354 HB2 GLN 50 1HB GLN 50 -10.791 -9.266 -10.591 355 HB3 GLN 50 2HB GLN 50 -10.012 -9.266 -12.168 356 HG2 GLN 50 1HG GLN 50 -10.146 -11.649 -12.308 357 HG3 GLN 50 2HG GLN 50 -10.722 -11.760 -10.645 358 HE21 GLN 50 1HE2 GLN 50 -12.661 -12.696 -11.029 359 HE22 GLN 50 2HE2 GLN 50 -13.937 -11.950 -11.922 360 HA PRO 51 HA PRO 51 -6.180 -6.615 -10.071 361 HB2 PRO 51 1HB PRO 51 -5.135 -6.025 -12.506 362 HB3 PRO 51 2HB PRO 51 -4.449 -7.256 -11.439 363 HG2 PRO 51 1HG PRO 51 -6.264 -7.590 -13.797 364 HG3 PRO 51 2HG PRO 51 -4.835 -8.537 -13.341 365 HD2 PRO 51 1HD PRO 51 -7.361 -9.383 -12.853 366 HD3 PRO 51 2HD PRO 51 -5.998 -9.777 -11.785 367 H ILE 52 H ILE 52 -6.975 -4.611 -9.929 368 HA ILE 52 HA ILE 52 -9.175 -3.838 -11.668 369 HB ILE 52 HB ILE 52 -8.076 -2.178 -9.416 370 HG12 ILE 52 1HG1 ILE 52 -10.240 -4.255 -9.098 371 HG13 ILE 52 2HG1 ILE 52 -8.551 -4.595 -8.735 372 HG21 ILE 52 1HG2 ILE 52 -10.165 -1.853 -11.256 373 HG22 ILE 52 2HG2 ILE 52 -10.929 -2.223 -9.711 374 HG23 ILE 52 3HG2 ILE 52 -9.814 -0.863 -9.839 375 HD11 ILE 52 3HD1 ILE 52 -10.171 -3.867 -6.847 376 HD12 ILE 52 1HD1 ILE 52 -8.532 -3.219 -6.897 377 HD13 ILE 52 2HD1 ILE 52 -9.884 -2.246 -7.478 378 H GLN 53 H GLN 53 -9.151 -2.180 -13.107 379 HA GLN 53 HA GLN 53 -6.533 -0.955 -13.637 380 HB2 GLN 53 1HB GLN 53 -7.452 -0.505 -15.911 381 HB3 GLN 53 2HB GLN 53 -7.344 -2.215 -15.515 382 HG2 GLN 53 1HG GLN 53 -9.746 -2.212 -14.969 383 HG3 GLN 53 2HG GLN 53 -9.830 -0.521 -15.459 384 HE21 GLN 53 1HE2 GLN 53 -11.475 -2.223 -16.684 385 HE22 GLN 53 2HE2 GLN 53 -10.961 -2.534 -18.304 386 H TYR 54 H TYR 54 -10.000 -0.208 -13.494 387 HA TYR 54 HA TYR 54 -9.648 2.600 -13.802 388 HB2 TYR 54 1HB TYR 54 -12.044 2.657 -12.906 389 HB3 TYR 54 2HB TYR 54 -11.772 1.770 -14.402 390 HD1 TYR 54 HD2 TYR 54 -11.877 -0.677 -14.434 391 HD2 TYR 54 HD1 TYR 54 -12.681 1.517 -10.878 392 HE1 TYR 54 HE2 TYR 54 -12.908 -2.677 -13.440 393 HE2 TYR 54 HE1 TYR 54 -13.714 -0.477 -9.874 394 HH TYR 54 HH TYR 54 -13.342 -3.207 -10.406 395 H ALA 55 H ALA 55 -8.693 0.671 -11.360 396 HA ALA 55 HA ALA 55 -9.579 2.033 -9.044 397 HB1 ALA 55 3HB ALA 55 -7.215 0.953 -8.268 398 HB2 ALA 55 1HB ALA 55 -8.741 0.072 -8.344 399 HB3 ALA 55 2HB ALA 55 -7.595 -0.033 -9.681 400 H ARG 56 H ARG 56 -9.218 4.132 -8.715 401 HA ARG 56 HA ARG 56 -6.835 5.423 -9.729 402 HB2 ARG 56 1HB ARG 56 -9.264 6.419 -8.247 403 HB3 ARG 56 2HB ARG 56 -7.891 7.458 -8.608 404 HG2 ARG 56 1HG ARG 56 -8.221 7.184 -10.963 405 HG3 ARG 56 2HG ARG 56 -9.469 5.965 -10.690 406 HD2 ARG 56 1HD ARG 56 -10.600 7.895 -9.315 407 HD3 ARG 56 2HD ARG 56 -9.582 8.922 -10.324 408 HE ARG 56 HE ARG 56 -10.996 7.042 -11.904 409 HH11 ARG 56 2HH1 ARG 56 -11.403 10.003 -10.120 410 HH12 ARG 56 1HH1 ARG 56 -12.729 10.557 -11.088 411 HH21 ARG 56 2HH2 ARG 56 -12.741 7.760 -13.186 412 HH22 ARG 56 1HH2 ARG 56 -13.490 9.280 -12.831 413 H SER 57 H SER 57 -6.225 3.457 -7.850 414 HA SER 57 HA SER 57 -5.957 4.300 -5.210 415 HB2 SER 57 1HB SER 57 -4.148 2.623 -5.041 416 HB3 SER 57 2HB SER 57 -5.553 1.986 -5.896 417 HG SER 57 HG SER 57 -3.472 1.552 -6.897 418 H THR 58 H THR 58 -4.506 5.520 -4.112 419 HA THR 58 HA THR 58 -2.252 6.672 -5.608 420 HB THR 58 HB THR 58 -2.680 8.857 -4.454 421 HG1 THR 58 HG1 THR 58 -4.144 7.865 -2.858 422 HG21 THR 58 3HG2 THR 58 -4.854 7.858 -6.297 423 HG22 THR 58 1HG2 THR 58 -3.308 8.548 -6.788 424 HG23 THR 58 2HG2 THR 58 -4.499 9.552 -5.961 425 H CYS 59 H CYS 59 -0.472 6.031 -4.593 426 HA CYS 59 HA CYS 59 -0.522 5.689 -1.682 427 HB2 CYS 59 1HB CYS 59 0.269 3.740 -2.828 428 HB3 CYS 59 2HB CYS 59 1.378 4.693 -3.806 429 HG CYS 59 HG CYS 59 1.675 3.817 -0.530 430 H GLU 60 H GLU 60 0.114 7.390 -0.542 431 HA GLU 60 HA GLU 60 2.335 9.023 -1.585 432 HB2 GLU 60 1HB GLU 60 -0.189 9.800 -0.173 433 HB3 GLU 60 2HB GLU 60 1.247 10.797 0.011 434 HG2 GLU 60 1HG GLU 60 -0.198 11.640 -1.749 435 HG3 GLU 60 2HG GLU 60 1.358 11.119 -2.393 436 H ALA 61 H ALA 61 4.082 9.257 -0.328 437 HA ALA 61 HA ALA 61 5.561 8.769 1.347 438 HB1 ALA 61 3HB ALA 61 3.714 10.586 2.231 439 HB2 ALA 61 1HB ALA 61 3.697 9.372 3.511 440 HB3 ALA 61 2HB ALA 61 5.210 10.160 3.062 441 H GLY 62 H GLY 62 4.206 6.483 0.458 442 HA2 GLY 62 1HA GLY 62 4.108 4.265 1.087 443 HA3 GLY 62 2HA GLY 62 4.638 4.746 2.692 444 H VAL 63 H VAL 63 1.836 6.208 1.243 445 HA VAL 63 HA VAL 63 0.129 4.669 3.091 446 HB VAL 63 HB VAL 63 -0.208 7.547 2.233 447 HG11 VAL 63 1HG1 VAL 63 -2.207 5.820 2.869 448 HG12 VAL 63 2HG1 VAL 63 -1.814 6.496 4.451 449 HG13 VAL 63 3HG1 VAL 63 -2.269 7.563 3.123 450 HG21 VAL 63 3HG2 VAL 63 1.067 8.084 3.970 451 HG22 VAL 63 1HG2 VAL 63 -0.037 7.227 5.046 452 HG23 VAL 63 2HG2 VAL 63 1.326 6.375 4.320 453 H ALA 64 H ALA 64 -0.518 3.141 1.580 454 HA ALA 64 HA ALA 64 -1.519 3.858 -1.000 455 HB1 ALA 64 3HB ALA 64 -1.181 1.374 0.550 456 HB2 ALA 64 1HB ALA 64 -2.474 1.368 -0.649 457 HB3 ALA 64 2HB ALA 64 -0.817 1.719 -1.141 458 H GLU 65 H GLU 65 -3.528 4.392 -1.600 459 HA GLU 65 HA GLU 65 -5.773 3.799 0.178 460 HB2 GLU 65 1HB GLU 65 -5.299 6.561 -0.952 461 HB3 GLU 65 2HB GLU 65 -6.613 6.063 0.105 462 HG2 GLU 65 1HG GLU 65 -4.740 5.451 1.768 463 HG3 GLU 65 2HG GLU 65 -3.727 6.479 0.755 464 H LEU 66 H LEU 66 -7.629 3.316 -0.872 465 HA LEU 66 HA LEU 66 -7.672 3.714 -3.791 466 HB2 LEU 66 1HB LEU 66 -7.287 1.385 -3.308 467 HB3 LEU 66 2HB LEU 66 -8.649 1.355 -2.190 468 HG LEU 66 HG LEU 66 -10.067 1.948 -4.272 469 HD11 LEU 66 1HD1 LEU 66 -9.098 0.984 -6.356 470 HD12 LEU 66 2HD1 LEU 66 -7.536 0.920 -5.539 471 HD13 LEU 66 3HD1 LEU 66 -8.323 2.474 -5.817 472 HD21 LEU 66 3HD2 LEU 66 -9.480 -0.704 -4.897 473 HD22 LEU 66 1HD2 LEU 66 -10.709 -0.120 -3.774 474 HD23 LEU 66 2HD2 LEU 66 -9.102 -0.541 -3.182 475 H HIS 67 H HIS 67 -8.977 5.497 -3.845 476 HA HIS 67 HA HIS 67 -11.304 5.818 -2.255 477 HB2 HIS 67 1HB HIS 67 -10.397 7.184 -4.793 478 HB3 HIS 67 2HB HIS 67 -11.834 7.661 -3.893 479 HD1 HIS 67 HD1 HIS 67 -11.482 9.349 -2.108 480 HD2 HIS 67 HD2 HIS 67 -7.948 7.435 -3.161 481 HE1 HIS 67 HE1 HIS 67 -9.671 10.528 -0.822 482 HE2 HIS 67 HE2 HIS 67 -7.532 9.408 -1.541 483 H ILE 68 H ILE 68 -13.212 4.868 -2.462 484 HA ILE 68 HA ILE 68 -14.034 3.919 -5.127 485 HB ILE 68 HB ILE 68 -14.575 2.520 -2.505 486 HG12 ILE 68 1HG1 ILE 68 -12.234 2.292 -3.211 487 HG13 ILE 68 2HG1 ILE 68 -13.092 0.763 -3.363 488 HG21 ILE 68 1HG2 ILE 68 -15.401 0.703 -4.048 489 HG22 ILE 68 2HG2 ILE 68 -16.411 2.144 -3.949 490 HG23 ILE 68 3HG2 ILE 68 -15.358 1.901 -5.342 491 HD11 ILE 68 3HD1 ILE 68 -12.318 0.647 -5.431 492 HD12 ILE 68 1HD1 ILE 68 -13.385 1.991 -5.838 493 HD13 ILE 68 2HD1 ILE 68 -11.715 2.303 -5.362 494 H GLN 69 H GLN 69 -15.433 5.554 -5.611 495 HA GLN 69 HA GLN 69 -17.397 6.440 -3.676 496 HB2 GLN 69 1HB GLN 69 -18.116 7.991 -5.437 497 HB3 GLN 69 2HB GLN 69 -16.380 8.078 -5.172 498 HG2 GLN 69 1HG GLN 69 -17.399 6.272 -7.299 499 HG3 GLN 69 2HG GLN 69 -17.402 8.010 -7.589 500 HE21 GLN 69 1HE2 GLN 69 -15.608 5.203 -7.739 501 HE22 GLN 69 2HE2 GLN 69 -14.042 5.899 -7.960 502 H ASP 70 H ASP 70 -19.690 6.404 -4.094 503 HA ASP 70 HA ASP 70 -21.645 5.334 -4.551 504 HB2 ASP 70 1HB ASP 70 -20.108 4.893 -7.095 505 HB3 ASP 70 2HB ASP 70 -21.707 4.185 -6.880 506 H ALA 71 H ALA 71 -20.236 3.972 -2.781 507 HA ALA 71 HA ALA 71 -19.381 1.397 -3.350 508 HB1 ALA 71 3HB ALA 71 -19.336 1.042 -1.089 509 HB2 ALA 71 1HB ALA 71 -19.392 2.805 -1.129 510 HB3 ALA 71 2HB ALA 71 -20.863 1.882 -0.814 511 H LEU 72 H LEU 72 -20.669 0.319 -4.819 512 HA LEU 72 HA LEU 72 -23.493 -0.047 -4.301 513 HB2 LEU 72 1HB LEU 72 -21.639 -1.028 -6.455 514 HB3 LEU 72 2HB LEU 72 -23.324 -1.533 -6.350 515 HG LEU 72 HG LEU 72 -22.450 1.337 -6.643 516 HD11 LEU 72 1HD1 LEU 72 -21.816 -0.197 -8.563 517 HD12 LEU 72 2HD1 LEU 72 -22.827 1.193 -8.959 518 HD13 LEU 72 3HD1 LEU 72 -23.547 -0.411 -8.826 519 HD21 LEU 72 3HD2 LEU 72 -25.100 0.477 -7.541 520 HD22 LEU 72 1HD2 LEU 72 -24.620 1.889 -6.599 521 HD23 LEU 72 2HD2 LEU 72 -24.841 0.331 -5.802 522 HA PRO 73 HA PRO 73 -23.298 -3.866 -2.146 523 HB2 PRO 73 1HB PRO 73 -25.508 -5.129 -3.092 524 HB3 PRO 73 2HB PRO 73 -25.587 -3.757 -1.980 525 HG2 PRO 73 1HG PRO 73 -25.936 -3.808 -4.953 526 HG3 PRO 73 2HG PRO 73 -26.879 -2.935 -3.731 527 HD2 PRO 73 1HD PRO 73 -24.966 -1.736 -5.225 528 HD3 PRO 73 2HD PRO 73 -25.323 -1.243 -3.557 529 H GLU 74 H GLU 74 -23.075 -3.750 -5.554 530 HA GLU 74 HA GLU 74 -22.497 -6.613 -5.767 531 HB2 GLU 74 1HB GLU 74 -22.725 -6.393 -8.105 532 HB3 GLU 74 2HB GLU 74 -24.006 -5.402 -7.421 533 HG2 GLU 74 1HG GLU 74 -22.408 -3.441 -7.681 534 HG3 GLU 74 2HG GLU 74 -21.441 -4.515 -8.691 535 H ASP 75 H ASP 75 -20.886 -3.802 -5.111 536 HA ASP 75 HA ASP 75 -18.453 -4.465 -6.564 537 HB2 ASP 75 1HB ASP 75 -19.394 -2.137 -4.949 538 HB3 ASP 75 2HB ASP 75 -17.659 -2.394 -5.115 539 H HIS 76 H HIS 76 -19.812 -4.744 -3.381 540 HA HIS 76 HA HIS 76 -17.582 -5.004 -1.781 541 HB2 HIS 76 1HB HIS 76 -18.971 -5.953 -0.201 542 HB3 HIS 76 2HB HIS 76 -20.156 -5.185 -1.253 543 HD1 HIS 76 HD1 HIS 76 -20.969 -6.993 -3.277 544 HD2 HIS 76 HD2 HIS 76 -19.663 -8.490 0.372 545 HE1 HIS 76 HE1 HIS 76 -21.902 -9.324 -3.134 546 HE2 HIS 76 HE2 HIS 76 -21.170 -10.179 -0.881 547 H GLY 77 H GLY 77 -16.006 -6.474 -1.509 548 HA2 GLY 77 1HA GLY 77 -16.286 -9.216 -2.298 549 HA3 GLY 77 2HA GLY 77 -15.288 -8.303 -3.420 550 H THR 78 H THR 78 -13.347 -9.257 -2.995 551 HA THR 78 HA THR 78 -12.300 -8.899 -0.263 552 HB THR 78 HB THR 78 -11.569 -11.114 -2.188 553 HG1 THR 78 HG1 THR 78 -13.704 -11.075 -0.922 554 HG21 THR 78 3HG2 THR 78 -9.736 -10.364 -0.687 555 HG22 THR 78 1HG2 THR 78 -10.253 -12.020 -0.376 556 HG23 THR 78 2HG2 THR 78 -10.769 -10.719 0.697 557 H TYR 79 H TYR 79 -11.192 -7.016 -0.553 558 HA TYR 79 HA TYR 79 -9.563 -6.536 -2.867 559 HB2 TYR 79 1HB TYR 79 -10.034 -5.065 -0.287 560 HB3 TYR 79 2HB TYR 79 -8.770 -4.556 -1.401 561 HD1 TYR 79 HD1 TYR 79 -9.438 -3.951 -3.777 562 HD2 TYR 79 HD2 TYR 79 -12.271 -4.445 -0.641 563 HE1 TYR 79 HE1 TYR 79 -11.094 -2.682 -5.080 564 HE2 TYR 79 HE2 TYR 79 -13.935 -3.179 -1.937 565 HH TYR 79 HH TYR 79 -13.487 -1.215 -4.082 566 H THR 80 H THR 80 -7.507 -7.079 -3.174 567 HA THR 80 HA THR 80 -5.906 -7.891 -0.835 568 HB THR 80 HB THR 80 -5.696 -9.091 -3.602 569 HG1 THR 80 HG1 THR 80 -6.544 -10.970 -2.207 570 HG21 THR 80 3HG2 THR 80 -3.994 -10.378 -2.827 571 HG22 THR 80 1HG2 THR 80 -4.646 -10.448 -1.191 572 HG23 THR 80 2HG2 THR 80 -3.771 -9.015 -1.731 573 H CYS 81 H CYS 81 -4.696 -6.074 -0.564 574 HA CYS 81 HA CYS 81 -3.497 -4.714 -2.808 575 HB2 CYS 81 1HB CYS 81 -4.316 -3.650 -0.610 576 HB3 CYS 81 2HB CYS 81 -2.815 -4.246 0.087 577 HG CYS 81 HG CYS 81 -2.874 -2.194 -2.644 578 H LEU 82 H LEU 82 -1.888 -5.749 -3.817 579 HA LEU 82 HA LEU 82 0.051 -7.293 -2.283 580 HB2 LEU 82 1HB LEU 82 -0.609 -8.458 -4.178 581 HB3 LEU 82 2HB LEU 82 -0.604 -7.013 -5.187 582 HG LEU 82 HG LEU 82 1.835 -7.022 -5.208 583 HD11 LEU 82 1HD1 LEU 82 2.097 -8.056 -2.955 584 HD12 LEU 82 2HD1 LEU 82 3.128 -8.759 -4.201 585 HD13 LEU 82 3HD1 LEU 82 1.675 -9.610 -3.676 586 HD21 LEU 82 3HD2 LEU 82 0.135 -8.881 -6.452 587 HD22 LEU 82 1HD2 LEU 82 1.583 -9.770 -5.978 588 HD23 LEU 82 2HD2 LEU 82 1.723 -8.334 -6.993 589 H ALA 83 H ALA 83 1.842 -6.378 -1.553 590 HA ALA 83 HA ALA 83 3.007 -4.142 -3.081 591 HB1 ALA 83 3HB ALA 83 2.623 -2.890 -1.277 592 HB2 ALA 83 1HB ALA 83 2.232 -4.295 -0.285 593 HB3 ALA 83 2HB ALA 83 3.913 -3.805 -0.498 594 H GLU 84 H GLU 84 4.645 -5.123 -4.142 595 HA GLU 84 HA GLU 84 6.669 -6.478 -2.494 596 HB2 GLU 84 1HB GLU 84 7.088 -8.073 -4.292 597 HB3 GLU 84 2HB GLU 84 5.418 -8.172 -3.752 598 HG2 GLU 84 1HG GLU 84 4.614 -7.107 -5.680 599 HG3 GLU 84 2HG GLU 84 6.218 -6.535 -6.132 600 H ASN 85 H ASN 85 8.835 -6.310 -3.257 601 HA ASN 85 HA ASN 85 9.314 -4.367 -5.394 602 HB2 ASN 85 1HB ASN 85 10.832 -3.057 -4.045 603 HB3 ASN 85 2HB ASN 85 9.277 -3.139 -3.221 604 HD21 ASN 85 1HD2 ASN 85 10.833 -2.446 -1.470 605 HD22 ASN 85 2HD2 ASN 85 11.535 -3.707 -0.520 606 H ALA 86 H ALA 86 11.953 -4.116 -5.390 607 HA ALA 86 HA ALA 86 12.892 -6.552 -6.425 608 HB1 ALA 86 3HB ALA 86 14.572 -4.229 -5.496 609 HB2 ALA 86 1HB ALA 86 15.015 -5.465 -6.675 610 HB3 ALA 86 2HB ALA 86 13.742 -4.303 -7.051 611 H LEU 87 H LEU 87 12.625 -5.481 -3.218 612 HA LEU 87 HA LEU 87 14.782 -7.161 -2.220 613 HB2 LEU 87 1HB LEU 87 12.969 -5.112 -1.070 614 HB3 LEU 87 2HB LEU 87 13.610 -6.341 0.018 615 HG LEU 87 HG LEU 87 14.876 -4.164 -0.064 616 HD11 LEU 87 1HD1 LEU 87 16.022 -6.873 -0.427 617 HD12 LEU 87 2HD1 LEU 87 16.139 -5.764 0.938 618 HD13 LEU 87 3HD1 LEU 87 17.126 -5.499 -0.498 619 HD21 LEU 87 3HD2 LEU 87 15.485 -5.185 -2.827 620 HD22 LEU 87 1HD2 LEU 87 16.506 -4.017 -1.987 621 HD23 LEU 87 2HD2 LEU 87 14.830 -3.614 -2.363 622 H GLY 88 H GLY 88 11.435 -6.802 -1.064 623 HA2 GLY 88 1HA GLY 88 11.225 -9.749 -1.078 624 HA3 GLY 88 2HA GLY 88 10.684 -8.788 0.291 625 H GLN 89 H GLN 89 8.661 -10.005 -0.160 626 HA GLN 89 HA GLN 89 6.901 -8.349 -1.749 627 HB2 GLN 89 1HB GLN 89 5.945 -10.286 -2.981 628 HB3 GLN 89 2HB GLN 89 7.600 -9.913 -3.443 629 HG2 GLN 89 1HG GLN 89 8.453 -11.778 -2.301 630 HG3 GLN 89 2HG GLN 89 6.948 -12.024 -1.417 631 HE21 GLN 89 1HE2 GLN 89 5.035 -12.051 -3.222 632 HE22 GLN 89 2HE2 GLN 89 5.277 -13.287 -4.404 633 H VAL 90 H VAL 90 5.006 -8.120 -0.746 634 HA VAL 90 HA VAL 90 4.011 -10.255 0.987 635 HB VAL 90 HB VAL 90 3.629 -8.832 2.867 636 HG11 VAL 90 1HG1 VAL 90 5.803 -8.574 3.653 637 HG12 VAL 90 2HG1 VAL 90 5.976 -9.787 2.383 638 HG13 VAL 90 3HG1 VAL 90 6.425 -8.110 2.069 639 HG21 VAL 90 3HG2 VAL 90 3.153 -6.792 1.465 640 HG22 VAL 90 1HG2 VAL 90 4.079 -6.503 2.939 641 HG23 VAL 90 2HG2 VAL 90 4.897 -6.543 1.376 642 H SER 91 H SER 91 1.779 -10.246 1.295 643 HA SER 91 HA SER 91 0.239 -8.163 -0.076 644 HB2 SER 91 1HB SER 91 0.703 -10.359 -1.466 645 HB3 SER 91 2HB SER 91 -0.589 -11.014 -0.459 646 HG SER 91 HG SER 91 -0.951 -9.712 -2.618 647 H CYS 92 H CYS 92 -1.792 -7.783 0.764 648 HA CYS 92 HA CYS 92 -2.585 -9.396 3.092 649 HB2 CYS 92 1HB CYS 92 -3.055 -7.478 4.395 650 HB3 CYS 92 2HB CYS 92 -1.471 -7.181 3.689 651 HG CYS 92 HG CYS 92 -2.096 -4.877 2.774 652 H SER 93 H SER 93 -4.835 -9.416 3.563 653 HA SER 93 HA SER 93 -6.528 -8.574 1.301 654 HB2 SER 93 1HB SER 93 -7.811 -10.557 1.485 655 HB3 SER 93 2HB SER 93 -6.132 -11.088 1.591 656 HG SER 93 HG SER 93 -6.632 -10.727 4.013 657 H ALA 94 H ALA 94 -8.794 -8.171 1.850 658 HA ALA 94 HA ALA 94 -9.377 -7.622 4.647 659 HB1 ALA 94 3HB ALA 94 -8.270 -5.593 3.325 660 HB2 ALA 94 1HB ALA 94 -9.945 -5.354 2.828 661 HB3 ALA 94 2HB ALA 94 -9.525 -5.359 4.541 662 H TRP 95 H TRP 95 -11.450 -8.029 5.109 663 HA TRP 95 HA TRP 95 -13.249 -8.645 2.890 664 HB2 TRP 95 1HB TRP 95 -13.021 -10.363 4.595 665 HB3 TRP 95 2HB TRP 95 -13.465 -9.214 5.854 666 HD1 TRP 95 HD1 TRP 95 -16.054 -8.553 6.058 667 HE1 TRP 95 HE1 TRP 95 -18.191 -9.709 5.209 668 HE3 TRP 95 HE3 TRP 95 -13.954 -11.747 2.664 669 HZ2 TRP 95 HZ2 TRP 95 -18.893 -11.711 3.348 670 HZ3 TRP 95 HZ3 TRP 95 -15.428 -13.251 1.391 671 HH2 TRP 95 HH2 TRP 95 -17.847 -13.232 1.727 672 H VAL 96 H VAL 96 -14.258 -6.865 2.165 673 HA VAL 96 HA VAL 96 -15.297 -4.920 4.094 674 HB VAL 96 HB VAL 96 -15.065 -4.765 1.086 675 HG11 VAL 96 1HG1 VAL 96 -15.840 -2.512 1.227 676 HG12 VAL 96 2HG1 VAL 96 -17.019 -3.532 2.053 677 HG13 VAL 96 3HG1 VAL 96 -15.871 -2.573 2.989 678 HG21 VAL 96 3HG2 VAL 96 -12.910 -4.623 2.146 679 HG22 VAL 96 1HG2 VAL 96 -13.382 -3.013 1.601 680 HG23 VAL 96 2HG2 VAL 96 -13.513 -3.440 3.307 681 H THR 97 H THR 97 -17.450 -4.425 4.277 682 HA THR 97 HA THR 97 -19.330 -6.079 2.725 683 HB THR 97 HB THR 97 -19.629 -5.372 5.650 684 HG1 THR 97 HG1 THR 97 -18.582 -7.608 4.318 685 HG21 THR 97 3HG2 THR 97 -21.627 -6.557 5.649 686 HG22 THR 97 1HG2 THR 97 -21.232 -7.419 4.162 687 HG23 THR 97 2HG2 THR 97 -21.687 -5.716 4.100 688 H VAL 98 H VAL 98 -20.941 -5.001 1.773 689 HA VAL 98 HA VAL 98 -21.345 -2.182 2.528 690 HB VAL 98 HB VAL 98 -22.017 -3.446 -0.129 691 HG11 VAL 98 1HG1 VAL 98 -22.937 -1.495 -0.674 692 HG12 VAL 98 2HG1 VAL 98 -22.806 -1.035 1.024 693 HG13 VAL 98 3HG1 VAL 98 -21.525 -0.603 -0.109 694 HG21 VAL 98 3HG2 VAL 98 -19.535 -2.018 0.787 695 HG22 VAL 98 1HG2 VAL 98 -19.671 -3.592 0.002 696 HG23 VAL 98 2HG2 VAL 98 -19.992 -2.118 -0.913 697 H HIS 99 H HIS 99 -23.171 -1.782 3.570 698 HA HIS 99 HA HIS 99 -25.257 -3.656 3.870 699 HB2 HIS 99 1HB HIS 99 -25.252 -0.678 4.404 700 HB3 HIS 99 2HB HIS 99 -26.480 -1.807 4.969 701 HD1 HIS 99 HD1 HIS 99 -25.434 -3.805 6.563 702 HD2 HIS 99 HD2 HIS 99 -23.249 -0.293 6.179 703 HE1 HIS 99 HE1 HIS 99 -23.843 -3.787 8.511 704 HE2 HIS 99 HE2 HIS 99 -22.590 -1.612 8.305 Start of MODEL 12 1 H1 GLY 1 H GLY 1 31.029 -10.341 0.054 2 HA2 GLY 1 1HA GLY 1 31.678 -8.045 -0.870 3 HA3 GLY 1 2HA GLY 1 30.206 -8.089 0.090 4 H SER 2 H SER 2 30.729 -5.784 0.394 5 HA SER 2 HA SER 2 32.799 -5.369 2.446 6 HB2 SER 2 1HB SER 2 31.506 -3.367 0.577 7 HB3 SER 2 2HB SER 2 32.715 -2.979 1.800 8 HG SER 2 HG SER 2 33.877 -3.269 -0.014 9 H SER 3 H SER 3 32.317 -4.119 4.286 10 HA SER 3 HA SER 3 29.847 -4.612 5.482 11 HB2 SER 3 1HB SER 3 31.926 -2.520 6.163 12 HB3 SER 3 2HB SER 3 30.577 -2.965 7.207 13 HG SER 3 HG SER 3 31.431 -5.015 7.405 14 H GLY 4 H GLY 4 27.992 -3.898 4.614 15 HA2 GLY 4 1HA GLY 4 27.482 -1.753 3.026 16 HA3 GLY 4 2HA GLY 4 26.316 -2.369 4.187 17 H SER 5 H SER 5 27.037 0.399 3.218 18 HA SER 5 HA SER 5 27.937 1.655 5.695 19 HB2 SER 5 1HB SER 5 28.127 3.693 4.411 20 HB3 SER 5 2HB SER 5 28.857 2.385 3.481 21 HG SER 5 HG SER 5 26.855 2.252 2.322 22 H SER 6 H SER 6 26.747 3.601 6.460 23 HA SER 6 HA SER 6 24.172 3.002 7.248 24 HB2 SER 6 1HB SER 6 25.689 5.589 7.072 25 HB3 SER 6 2HB SER 6 24.005 5.580 7.596 26 HG SER 6 HG SER 6 24.954 3.750 9.035 27 H GLY 7 H GLY 7 22.220 3.094 6.333 28 HA2 GLY 7 1HA GLY 7 20.522 3.993 4.974 29 HA3 GLY 7 2HA GLY 7 21.740 4.901 4.091 30 H MET 8 H MET 8 19.691 2.254 4.012 31 HA MET 8 HA MET 8 20.676 1.461 1.431 32 HB2 MET 8 1HB MET 8 21.155 -0.834 1.925 33 HB3 MET 8 2HB MET 8 22.108 0.159 3.020 34 HG2 MET 8 1HG MET 8 20.695 -0.327 4.846 35 HG3 MET 8 2HG MET 8 19.466 -1.031 3.799 36 HE1 MET 8 3HE MET 8 20.305 -4.230 5.537 37 HE2 MET 8 1HE MET 8 20.803 -2.830 6.488 38 HE3 MET 8 2HE MET 8 19.327 -2.762 5.525 39 H GLU 9 H GLU 9 19.243 -0.088 0.366 40 HA GLU 9 HA GLU 9 16.567 0.545 0.589 41 HB2 GLU 9 1HB GLU 9 17.890 -1.918 -0.545 42 HB3 GLU 9 2HB GLU 9 16.170 -1.595 -0.707 43 HG2 GLU 9 1HG GLU 9 16.926 -0.751 -2.678 44 HG3 GLU 9 2HG GLU 9 17.014 0.693 -1.672 45 H VAL 10 H VAL 10 14.898 -1.457 0.811 46 HA VAL 10 HA VAL 10 15.434 -3.117 3.111 47 HB VAL 10 HB VAL 10 13.280 -2.177 4.234 48 HG11 VAL 10 1HG1 VAL 10 15.566 -0.307 4.547 49 HG12 VAL 10 2HG1 VAL 10 14.615 -1.149 5.772 50 HG13 VAL 10 3HG1 VAL 10 15.848 -2.019 4.858 51 HG21 VAL 10 3HG2 VAL 10 14.210 0.384 2.984 52 HG22 VAL 10 1HG2 VAL 10 12.965 -0.604 2.219 53 HG23 VAL 10 2HG2 VAL 10 12.704 0.046 3.838 54 H ALA 11 H ALA 11 13.466 -4.431 3.696 55 HA ALA 11 HA ALA 11 12.189 -5.309 1.233 56 HB1 ALA 11 3HB ALA 11 13.036 -7.124 2.409 57 HB2 ALA 11 1HB ALA 11 12.496 -6.494 3.966 58 HB3 ALA 11 2HB ALA 11 11.322 -7.147 2.823 59 HA PRO 12 HA PRO 12 8.258 -3.505 2.000 60 HB2 PRO 12 1HB PRO 12 6.624 -5.354 0.869 61 HB3 PRO 12 2HB PRO 12 7.645 -4.267 -0.079 62 HG2 PRO 12 1HG PRO 12 8.116 -7.123 0.685 63 HG3 PRO 12 2HG PRO 12 8.394 -6.321 -0.872 64 HD2 PRO 12 1HD PRO 12 10.392 -6.821 0.885 65 HD3 PRO 12 2HD PRO 12 10.396 -5.406 -0.187 66 H SER 13 H SER 13 6.482 -3.592 3.369 67 HA SER 13 HA SER 13 5.623 -5.943 4.704 68 HB2 SER 13 1HB SER 13 6.406 -5.446 6.961 69 HB3 SER 13 2HB SER 13 7.784 -5.622 5.875 70 HG SER 13 HG SER 13 6.725 -3.065 6.220 71 H PHE 14 H PHE 14 3.890 -5.537 6.208 72 HA PHE 14 HA PHE 14 2.638 -2.913 5.759 73 HB2 PHE 14 1HB PHE 14 1.477 -5.656 6.198 74 HB3 PHE 14 2HB PHE 14 0.510 -4.201 6.422 75 HD1 PHE 14 HD2 PHE 14 0.387 -2.567 4.443 76 HD2 PHE 14 HD1 PHE 14 1.689 -6.604 4.097 77 HE1 PHE 14 HE2 PHE 14 -0.089 -2.510 2.030 78 HE2 PHE 14 HE1 PHE 14 1.216 -6.554 1.683 79 HZ PHE 14 HZ PHE 14 0.325 -4.505 0.647 80 H SER 15 H SER 15 2.814 -1.594 7.438 81 HA SER 15 HA SER 15 3.334 -2.553 10.091 82 HB2 SER 15 1HB SER 15 3.522 -0.248 10.713 83 HB3 SER 15 2HB SER 15 4.248 -0.406 9.114 84 HG SER 15 HG SER 15 2.656 1.384 9.556 85 H SER 16 H SER 16 0.571 -1.188 8.386 86 HA SER 16 HA SER 16 -1.133 -2.005 10.638 87 HB2 SER 16 1HB SER 16 -1.276 0.612 9.128 88 HB3 SER 16 2HB SER 16 -2.550 0.025 10.196 89 HG SER 16 HG SER 16 0.130 0.324 11.050 90 H VAL 17 H VAL 17 -1.463 -3.897 9.297 91 HA VAL 17 HA VAL 17 -2.406 -3.974 6.711 92 HB VAL 17 HB VAL 17 -3.452 -6.119 7.253 93 HG11 VAL 17 1HG1 VAL 17 -1.438 -7.063 7.263 94 HG12 VAL 17 2HG1 VAL 17 -0.763 -5.454 7.530 95 HG13 VAL 17 3HG1 VAL 17 -1.115 -6.503 8.904 96 HG21 VAL 17 3HG2 VAL 17 -4.317 -5.251 9.503 97 HG22 VAL 17 1HG2 VAL 17 -3.765 -6.925 9.428 98 HG23 VAL 17 2HG2 VAL 17 -2.729 -5.685 10.134 99 H LEU 18 H LEU 18 -4.591 -4.395 5.898 100 HA LEU 18 HA LEU 18 -6.415 -2.391 6.772 101 HB2 LEU 18 1HB LEU 18 -6.795 -4.652 4.815 102 HB3 LEU 18 2HB LEU 18 -7.897 -3.293 5.030 103 HG LEU 18 HG LEU 18 -5.056 -2.754 4.291 104 HD11 LEU 18 1HD1 LEU 18 -6.891 -3.026 2.029 105 HD12 LEU 18 2HD1 LEU 18 -6.469 -4.551 2.809 106 HD13 LEU 18 3HD1 LEU 18 -5.198 -3.498 2.186 107 HD21 LEU 18 3HD2 LEU 18 -6.307 -0.957 2.968 108 HD22 LEU 18 1HD2 LEU 18 -6.285 -0.812 4.725 109 HD23 LEU 18 2HD2 LEU 18 -7.722 -1.428 3.910 110 H LYS 19 H LYS 19 -8.649 -2.762 7.396 111 HA LYS 19 HA LYS 19 -9.116 -5.323 8.755 112 HB2 LYS 19 1HB LYS 19 -10.092 -4.092 10.679 113 HB3 LYS 19 2HB LYS 19 -8.366 -3.816 10.485 114 HG2 LYS 19 1HG LYS 19 -9.068 -1.709 9.184 115 HG3 LYS 19 2HG LYS 19 -10.643 -1.953 9.944 116 HD2 LYS 19 1HD LYS 19 -9.563 -0.519 11.421 117 HD3 LYS 19 2HD LYS 19 -9.298 -2.106 12.146 118 HE2 LYS 19 1HE LYS 19 -7.073 -2.202 11.191 119 HE3 LYS 19 2HE LYS 19 -7.337 -0.670 10.359 120 HZ1 LYS 19 3HZ LYS 19 -7.067 -1.138 13.270 121 HZ2 LYS 19 1HZ LYS 19 -7.689 0.305 12.640 122 HZ3 LYS 19 2HZ LYS 19 -6.106 -0.165 12.274 123 H ASP 20 H ASP 20 -11.401 -5.695 9.284 124 HA ASP 20 HA ASP 20 -13.095 -5.486 7.151 125 HB2 ASP 20 1HB ASP 20 -14.853 -6.190 8.571 126 HB3 ASP 20 2HB ASP 20 -13.386 -6.865 9.276 127 H CYS 21 H CYS 21 -14.725 -4.114 6.481 128 HA CYS 21 HA CYS 21 -15.093 -1.597 7.924 129 HB2 CYS 21 1HB CYS 21 -13.298 -1.516 6.004 130 HB3 CYS 21 2HB CYS 21 -14.711 -1.475 4.957 131 HG CYS 21 HG CYS 21 -13.544 0.891 7.068 132 H ALA 22 H ALA 22 -17.053 -0.539 7.490 133 HA ALA 22 HA ALA 22 -18.984 -2.090 5.893 134 HB1 ALA 22 3HB ALA 22 -19.999 -2.561 7.827 135 HB2 ALA 22 1HB ALA 22 -19.079 -1.341 8.709 136 HB3 ALA 22 2HB ALA 22 -20.525 -0.878 7.812 137 H VAL 23 H VAL 23 -20.205 -0.966 4.489 138 HA VAL 23 HA VAL 23 -20.412 1.940 4.769 139 HB VAL 23 HB VAL 23 -18.479 1.151 3.185 140 HG11 VAL 23 1HG1 VAL 23 -20.395 -0.276 1.987 141 HG12 VAL 23 2HG1 VAL 23 -20.527 1.214 1.051 142 HG13 VAL 23 3HG1 VAL 23 -18.990 0.352 1.126 143 HG21 VAL 23 3HG2 VAL 23 -18.891 3.439 3.325 144 HG22 VAL 23 1HG2 VAL 23 -19.125 3.089 1.612 145 HG23 VAL 23 2HG2 VAL 23 -20.522 3.284 2.671 146 H ILE 24 H ILE 24 -22.150 2.879 3.583 147 HA ILE 24 HA ILE 24 -24.316 0.976 3.090 148 HB ILE 24 HB ILE 24 -24.315 3.958 3.528 149 HG12 ILE 24 1HG1 ILE 24 -25.604 1.708 5.087 150 HG13 ILE 24 2HG1 ILE 24 -24.072 2.465 5.510 151 HG21 ILE 24 1HG2 ILE 24 -26.723 3.925 3.292 152 HG22 ILE 24 2HG2 ILE 24 -25.969 3.347 1.808 153 HG23 ILE 24 3HG2 ILE 24 -26.690 2.199 2.935 154 HD11 ILE 24 3HD1 ILE 24 -26.041 3.274 6.801 155 HD12 ILE 24 1HD1 ILE 24 -25.138 4.538 5.967 156 HD13 ILE 24 2HD1 ILE 24 -26.668 3.963 5.303 157 H GLU 25 H GLU 25 -25.602 1.057 1.211 158 HA GLU 25 HA GLU 25 -24.250 1.302 -1.201 159 HB2 GLU 25 1HB GLU 25 -26.322 -0.006 -0.891 160 HB3 GLU 25 2HB GLU 25 -27.233 1.490 -0.747 161 HG2 GLU 25 1HG GLU 25 -26.977 2.014 -2.991 162 HG3 GLU 25 2HG GLU 25 -25.596 0.937 -3.185 163 H GLY 26 H GLY 26 -23.499 3.043 -2.198 164 HA2 GLY 26 1HA GLY 26 -23.989 5.074 -3.409 165 HA3 GLY 26 2HA GLY 26 -25.122 5.502 -2.136 166 H GLN 27 H GLN 27 -23.100 4.586 -0.096 167 HA GLN 27 HA GLN 27 -21.883 7.132 0.310 168 HB2 GLN 27 1HB GLN 27 -21.811 4.503 1.748 169 HB3 GLN 27 2HB GLN 27 -20.680 5.776 2.189 170 HG2 GLN 27 1HG GLN 27 -23.684 5.918 2.266 171 HG3 GLN 27 2HG GLN 27 -22.584 5.861 3.642 172 HE21 GLN 27 1HE2 GLN 27 -24.542 7.850 2.089 173 HE22 GLN 27 2HE2 GLN 27 -23.721 9.356 2.296 174 H ASP 28 H ASP 28 -19.445 7.076 1.040 175 HA ASP 28 HA ASP 28 -17.916 5.713 -1.080 176 HB2 ASP 28 1HB ASP 28 -16.327 7.766 -0.735 177 HB3 ASP 28 2HB ASP 28 -17.761 7.928 -1.745 178 H PHE 29 H PHE 29 -16.177 4.565 -0.473 179 HA PHE 29 HA PHE 29 -15.132 4.926 2.248 180 HB2 PHE 29 1HB PHE 29 -15.208 2.627 2.749 181 HB3 PHE 29 2HB PHE 29 -16.775 2.966 2.021 182 HD1 PHE 29 HD2 PHE 29 -13.397 1.634 1.266 183 HD2 PHE 29 HD1 PHE 29 -17.506 1.768 0.164 184 HE1 PHE 29 HE2 PHE 29 -13.008 -0.145 -0.389 185 HE2 PHE 29 HE1 PHE 29 -17.124 -0.011 -1.491 186 HZ PHE 29 HZ PHE 29 -14.872 -0.970 -1.770 187 H VAL 30 H VAL 30 -12.975 4.982 2.357 188 HA VAL 30 HA VAL 30 -11.446 4.027 0.024 189 HB VAL 30 HB VAL 30 -11.259 6.365 -0.090 190 HG11 VAL 30 1HG1 VAL 30 -10.759 6.385 2.885 191 HG12 VAL 30 2HG1 VAL 30 -10.748 7.798 1.828 192 HG13 VAL 30 3HG1 VAL 30 -12.241 6.893 2.078 193 HG21 VAL 30 3HG2 VAL 30 -9.092 5.017 -0.063 194 HG22 VAL 30 1HG2 VAL 30 -8.959 6.759 0.178 195 HG23 VAL 30 2HG2 VAL 30 -8.844 5.667 1.558 196 H LEU 31 H LEU 31 -10.351 2.266 0.582 197 HA LEU 31 HA LEU 31 -9.679 1.640 3.285 198 HB2 LEU 31 1HB LEU 31 -8.588 0.338 0.802 199 HB3 LEU 31 2HB LEU 31 -8.708 -0.355 2.418 200 HG LEU 31 HG LEU 31 -11.203 0.438 0.981 201 HD11 LEU 31 1HD1 LEU 31 -11.164 -2.059 0.225 202 HD12 LEU 31 2HD1 LEU 31 -9.415 -1.855 0.313 203 HD13 LEU 31 3HD1 LEU 31 -10.370 -0.823 -0.751 204 HD21 LEU 31 3HD2 LEU 31 -11.238 -2.066 2.370 205 HD22 LEU 31 1HD2 LEU 31 -12.151 -0.594 2.701 206 HD23 LEU 31 2HD2 LEU 31 -10.551 -0.817 3.411 207 H GLN 32 H GLN 32 -8.152 2.748 4.324 208 HA GLN 32 HA GLN 32 -5.697 3.466 2.872 209 HB2 GLN 32 1HB GLN 32 -6.891 5.370 3.832 210 HB3 GLN 32 2HB GLN 32 -6.850 4.615 5.420 211 HG2 GLN 32 1HG GLN 32 -4.359 4.707 5.312 212 HG3 GLN 32 2HG GLN 32 -4.518 5.651 3.831 213 HE21 GLN 32 1HE2 GLN 32 -3.286 7.217 5.121 214 HE22 GLN 32 2HE2 GLN 32 -4.154 8.300 6.149 215 H CYS 33 H CYS 33 -3.777 2.651 3.474 216 HA CYS 33 HA CYS 33 -3.489 1.376 6.081 217 HB2 CYS 33 1HB CYS 33 -2.587 -0.689 5.112 218 HB3 CYS 33 2HB CYS 33 -4.253 -0.431 4.610 219 HG CYS 33 HG CYS 33 -3.825 -0.095 2.038 220 H SER 34 H SER 34 -1.185 0.685 6.453 221 HA SER 34 HA SER 34 0.640 2.576 5.118 222 HB2 SER 34 1HB SER 34 0.250 3.160 7.470 223 HB3 SER 34 2HB SER 34 0.748 1.543 7.963 224 HG SER 34 HG SER 34 2.346 3.519 6.701 225 H VAL 35 H VAL 35 2.234 1.702 3.985 226 HA VAL 35 HA VAL 35 3.248 -0.949 4.755 227 HB VAL 35 HB VAL 35 1.909 -1.540 2.932 228 HG11 VAL 35 1HG1 VAL 35 2.431 1.182 2.072 229 HG12 VAL 35 2HG1 VAL 35 2.535 0.028 0.742 230 HG13 VAL 35 3HG1 VAL 35 1.065 0.126 1.713 231 HG21 VAL 35 3HG2 VAL 35 3.437 -2.534 1.594 232 HG22 VAL 35 1HG2 VAL 35 4.287 -1.024 1.262 233 HG23 VAL 35 2HG2 VAL 35 4.573 -1.883 2.776 234 H ARG 36 H ARG 36 5.368 -0.903 5.064 235 HA ARG 36 HA ARG 36 6.919 1.322 3.975 236 HB2 ARG 36 1HB ARG 36 7.696 -0.759 6.026 237 HB3 ARG 36 2HB ARG 36 8.646 0.650 5.575 238 HG2 ARG 36 1HG ARG 36 6.579 2.001 6.318 239 HG3 ARG 36 2HG ARG 36 6.104 0.514 7.141 240 HD2 ARG 36 1HD ARG 36 7.304 1.899 8.691 241 HD3 ARG 36 2HD ARG 36 8.308 0.508 8.284 242 HE ARG 36 HE ARG 36 8.960 2.611 6.556 243 HH11 ARG 36 2HH1 ARG 36 9.201 1.766 9.924 244 HH12 ARG 36 1HH1 ARG 36 10.629 2.710 10.194 245 HH21 ARG 36 2HH2 ARG 36 10.840 3.857 6.898 246 HH22 ARG 36 1HH2 ARG 36 11.560 3.900 8.471 247 H GLY 37 H GLY 37 9.148 0.845 3.194 248 HA2 GLY 37 1HA GLY 37 10.275 -1.479 2.445 249 HA3 GLY 37 2HA GLY 37 9.017 -1.286 1.233 250 H THR 38 H THR 38 11.682 -1.403 0.525 251 HA THR 38 HA THR 38 11.964 1.089 -0.880 252 HB THR 38 HB THR 38 14.222 0.311 0.971 253 HG1 THR 38 HG1 THR 38 12.514 2.560 1.276 254 HG21 THR 38 3HG2 THR 38 14.464 1.679 -1.284 255 HG22 THR 38 1HG2 THR 38 15.370 2.122 0.162 256 HG23 THR 38 2HG2 THR 38 13.902 3.002 -0.263 257 HA PRO 39 HA PRO 39 12.675 1.853 -2.560 258 HB2 PRO 39 1HB PRO 39 11.865 1.410 -5.113 259 HB3 PRO 39 2HB PRO 39 13.544 1.760 -4.685 260 HG2 PRO 39 1HG PRO 39 12.241 -0.877 -5.243 261 HG3 PRO 39 2HG PRO 39 13.820 -0.274 -5.780 262 HD2 PRO 39 1HD PRO 39 13.546 -1.986 -3.700 263 HD3 PRO 39 2HD PRO 39 14.833 -0.765 -3.769 264 H VAL 40 H VAL 40 10.519 2.632 -3.491 265 HA VAL 40 HA VAL 40 8.407 1.634 -2.018 266 HB VAL 40 HB VAL 40 8.245 3.144 -4.630 267 HG11 VAL 40 1HG1 VAL 40 6.018 3.612 -4.186 268 HG12 VAL 40 2HG1 VAL 40 6.159 1.920 -3.704 269 HG13 VAL 40 3HG1 VAL 40 6.164 3.191 -2.480 270 HG21 VAL 40 3HG2 VAL 40 9.361 4.648 -3.345 271 HG22 VAL 40 1HG2 VAL 40 7.728 4.985 -2.769 272 HG23 VAL 40 2HG2 VAL 40 8.796 3.941 -1.831 273 HA PRO 41 HA PRO 41 7.516 -2.126 -4.245 274 HB2 PRO 41 1HB PRO 41 5.423 -2.873 -2.685 275 HB3 PRO 41 2HB PRO 41 7.108 -3.066 -2.188 276 HG2 PRO 41 1HG PRO 41 5.149 -0.925 -1.453 277 HG3 PRO 41 2HG PRO 41 6.308 -1.783 -0.421 278 HD2 PRO 41 1HD PRO 41 6.774 0.707 -1.377 279 HD3 PRO 41 2HD PRO 41 8.075 -0.468 -1.097 280 H ARG 42 H ARG 42 5.924 -2.868 -5.664 281 HA ARG 42 HA ARG 42 4.303 -0.874 -6.862 282 HB2 ARG 42 1HB ARG 42 4.675 -3.819 -7.271 283 HB3 ARG 42 2HB ARG 42 3.351 -2.989 -8.077 284 HG2 ARG 42 1HG ARG 42 5.029 -2.933 -9.659 285 HG3 ARG 42 2HG ARG 42 5.177 -1.353 -8.886 286 HD2 ARG 42 1HD ARG 42 7.088 -1.976 -7.705 287 HD3 ARG 42 2HD ARG 42 6.769 -3.697 -7.915 288 HE ARG 42 HE ARG 42 7.801 -3.614 -9.967 289 HH11 ARG 42 2HH1 ARG 42 7.241 -0.381 -8.804 290 HH12 ARG 42 1HH1 ARG 42 8.206 0.368 -10.033 291 HH21 ARG 42 2HH2 ARG 42 9.074 -2.640 -11.590 292 HH22 ARG 42 1HH2 ARG 42 9.247 -0.918 -11.618 293 H ILE 43 H ILE 43 2.297 -0.256 -6.402 294 HA ILE 43 HA ILE 43 0.780 -1.780 -4.420 295 HB ILE 43 HB ILE 43 0.131 0.954 -5.518 296 HG12 ILE 43 1HG1 ILE 43 2.294 1.146 -4.512 297 HG13 ILE 43 2HG1 ILE 43 1.129 1.774 -3.352 298 HG21 ILE 43 1HG2 ILE 43 -0.994 1.033 -3.178 299 HG22 ILE 43 2HG2 ILE 43 -1.792 0.182 -4.500 300 HG23 ILE 43 3HG2 ILE 43 -0.905 -0.726 -3.275 301 HD11 ILE 43 3HD1 ILE 43 1.221 -0.724 -2.482 302 HD12 ILE 43 1HD1 ILE 43 2.817 -0.651 -3.227 303 HD13 ILE 43 2HD1 ILE 43 2.380 0.499 -1.963 304 H THR 44 H THR 44 -0.491 -3.298 -5.270 305 HA THR 44 HA THR 44 -2.224 -2.543 -7.527 306 HB THR 44 HB THR 44 -0.934 -5.250 -7.131 307 HG1 THR 44 HG1 THR 44 0.624 -4.279 -8.193 308 HG21 THR 44 3HG2 THR 44 -3.281 -4.449 -8.562 309 HG22 THR 44 1HG2 THR 44 -2.559 -6.052 -8.427 310 HG23 THR 44 2HG2 THR 44 -2.042 -4.957 -9.710 311 H TRP 45 H TRP 45 -4.318 -2.766 -7.107 312 HA TRP 45 HA TRP 45 -5.115 -4.285 -4.731 313 HB2 TRP 45 1HB TRP 45 -6.605 -2.211 -6.353 314 HB3 TRP 45 2HB TRP 45 -7.265 -3.045 -4.949 315 HD1 TRP 45 HD1 TRP 45 -4.580 -0.457 -5.890 316 HE1 TRP 45 HE1 TRP 45 -3.991 0.902 -3.785 317 HE3 TRP 45 HE3 TRP 45 -7.282 -3.091 -2.441 318 HZ2 TRP 45 HZ2 TRP 45 -4.591 0.862 -1.027 319 HZ3 TRP 45 HZ3 TRP 45 -7.220 -2.366 -0.091 320 HH2 TRP 45 HH2 TRP 45 -5.901 -0.431 0.599 321 H LEU 46 H LEU 46 -6.212 -6.136 -4.872 322 HA LEU 46 HA LEU 46 -7.318 -6.890 -7.498 323 HB2 LEU 46 1HB LEU 46 -6.230 -8.714 -5.359 324 HB3 LEU 46 2HB LEU 46 -6.852 -9.206 -6.932 325 HG LEU 46 HG LEU 46 -4.517 -7.347 -6.791 326 HD11 LEU 46 1HD1 LEU 46 -2.973 -8.985 -6.360 327 HD12 LEU 46 2HD1 LEU 46 -4.058 -10.291 -6.836 328 HD13 LEU 46 3HD1 LEU 46 -4.283 -9.479 -5.287 329 HD21 LEU 46 3HD2 LEU 46 -5.962 -8.728 -8.804 330 HD22 LEU 46 1HD2 LEU 46 -4.332 -9.401 -8.743 331 HD23 LEU 46 2HD2 LEU 46 -4.562 -7.668 -8.984 332 H LEU 47 H LEU 47 -9.446 -7.135 -7.564 333 HA LEU 47 HA LEU 47 -10.867 -7.770 -5.061 334 HB2 LEU 47 1HB LEU 47 -11.440 -5.552 -5.573 335 HB3 LEU 47 2HB LEU 47 -11.580 -5.898 -7.295 336 HG LEU 47 HG LEU 47 -13.566 -7.434 -6.469 337 HD11 LEU 47 1HD1 LEU 47 -14.759 -6.205 -4.614 338 HD12 LEU 47 2HD1 LEU 47 -13.221 -5.415 -4.268 339 HD13 LEU 47 3HD1 LEU 47 -13.362 -7.168 -4.132 340 HD21 LEU 47 3HD2 LEU 47 -13.973 -5.736 -8.041 341 HD22 LEU 47 1HD2 LEU 47 -13.565 -4.460 -6.894 342 HD23 LEU 47 2HD2 LEU 47 -15.056 -5.381 -6.694 343 H ASN 48 H ASN 48 -12.336 -9.391 -5.097 344 HA ASN 48 HA ASN 48 -13.372 -11.291 -5.801 345 HB2 ASN 48 1HB ASN 48 -13.864 -9.326 -7.988 346 HB3 ASN 48 2HB ASN 48 -14.281 -11.010 -8.291 347 HD21 ASN 48 1HD2 ASN 48 -15.865 -8.482 -7.853 348 HD22 ASN 48 2HD2 ASN 48 -17.022 -8.912 -6.644 349 H GLY 49 H GLY 49 -10.472 -10.974 -6.277 350 HA2 GLY 49 1HA GLY 49 -8.827 -12.359 -7.109 351 HA3 GLY 49 2HA GLY 49 -10.092 -13.352 -7.818 352 H GLN 50 H GLN 50 -9.822 -9.936 -8.489 353 HA GLN 50 HA GLN 50 -8.488 -10.433 -11.030 354 HB2 GLN 50 1HB GLN 50 -10.206 -9.819 -12.418 355 HB3 GLN 50 2HB GLN 50 -11.121 -10.607 -11.141 356 HG2 GLN 50 1HG GLN 50 -11.228 -8.204 -10.131 357 HG3 GLN 50 2HG GLN 50 -10.876 -7.711 -11.787 358 HE21 GLN 50 1HE2 GLN 50 -13.079 -6.720 -11.251 359 HE22 GLN 50 2HE2 GLN 50 -14.456 -7.647 -11.729 360 HA PRO 51 HA PRO 51 -6.672 -6.532 -10.115 361 HB2 PRO 51 1HB PRO 51 -5.820 -5.852 -12.601 362 HB3 PRO 51 2HB PRO 51 -5.040 -7.104 -11.628 363 HG2 PRO 51 1HG PRO 51 -7.022 -7.394 -13.853 364 HG3 PRO 51 2HG PRO 51 -5.551 -8.332 -13.535 365 HD2 PRO 51 1HD PRO 51 -8.021 -9.232 -12.888 366 HD3 PRO 51 2HD PRO 51 -6.578 -9.637 -11.937 367 H ILE 52 H ILE 52 -7.401 -4.499 -9.912 368 HA ILE 52 HA ILE 52 -9.787 -3.729 -11.387 369 HB ILE 52 HB ILE 52 -8.415 -2.102 -9.258 370 HG12 ILE 52 1HG1 ILE 52 -10.662 -4.019 -8.698 371 HG13 ILE 52 2HG1 ILE 52 -8.986 -4.552 -8.623 372 HG21 ILE 52 1HG2 ILE 52 -10.187 -1.066 -10.682 373 HG22 ILE 52 2HG2 ILE 52 -11.320 -2.251 -10.035 374 HG23 ILE 52 3HG2 ILE 52 -10.555 -1.084 -8.957 375 HD11 ILE 52 3HD1 ILE 52 -10.476 -3.348 -6.605 376 HD12 ILE 52 1HD1 ILE 52 -8.745 -3.685 -6.604 377 HD13 ILE 52 2HD1 ILE 52 -9.338 -2.114 -7.145 378 H GLN 53 H GLN 53 -9.785 -2.401 -13.075 379 HA GLN 53 HA GLN 53 -7.296 -1.041 -13.786 380 HB2 GLN 53 1HB GLN 53 -8.158 -0.883 -16.007 381 HB3 GLN 53 2HB GLN 53 -8.477 -2.517 -15.439 382 HG2 GLN 53 1HG GLN 53 -10.781 -1.987 -15.032 383 HG3 GLN 53 2HG GLN 53 -10.497 -0.288 -15.410 384 HE21 GLN 53 1HE2 GLN 53 -9.869 -3.448 -16.908 385 HE22 GLN 53 2HE2 GLN 53 -10.435 -3.006 -18.479 386 H TYR 54 H TYR 54 -10.661 -0.399 -13.024 387 HA TYR 54 HA TYR 54 -10.355 2.448 -13.521 388 HB2 TYR 54 1HB TYR 54 -12.744 2.550 -12.772 389 HB3 TYR 54 2HB TYR 54 -12.469 1.496 -14.154 390 HD1 TYR 54 HD2 TYR 54 -12.569 -0.953 -13.884 391 HD2 TYR 54 HD1 TYR 54 -13.500 1.675 -10.670 392 HE1 TYR 54 HE2 TYR 54 -13.662 -2.807 -12.692 393 HE2 TYR 54 HE1 TYR 54 -14.594 -0.172 -9.469 394 HH TYR 54 HH TYR 54 -14.148 -3.123 -9.836 395 H ALA 55 H ALA 55 -9.184 0.636 -11.207 396 HA ALA 55 HA ALA 55 -10.168 1.707 -8.790 397 HB1 ALA 55 3HB ALA 55 -7.462 1.027 -8.413 398 HB2 ALA 55 1HB ALA 55 -8.888 0.066 -8.024 399 HB3 ALA 55 2HB ALA 55 -8.111 -0.106 -9.598 400 H ARG 56 H ARG 56 -9.416 3.359 -7.475 401 HA ARG 56 HA ARG 56 -7.762 5.368 -8.847 402 HB2 ARG 56 1HB ARG 56 -10.249 5.725 -7.913 403 HB3 ARG 56 2HB ARG 56 -9.353 6.098 -6.447 404 HG2 ARG 56 1HG ARG 56 -7.970 7.621 -8.102 405 HG3 ARG 56 2HG ARG 56 -9.473 7.561 -9.024 406 HD2 ARG 56 1HD ARG 56 -9.304 8.326 -6.114 407 HD3 ARG 56 2HD ARG 56 -9.294 9.488 -7.441 408 HE ARG 56 HE ARG 56 -11.532 7.884 -7.783 409 HH11 ARG 56 2HH1 ARG 56 -10.303 10.150 -5.442 410 HH12 ARG 56 1HH1 ARG 56 -11.874 10.663 -4.921 411 HH21 ARG 56 2HH2 ARG 56 -13.605 8.551 -7.105 412 HH22 ARG 56 1HH2 ARG 56 -13.751 9.752 -5.867 413 H SER 57 H SER 57 -6.558 3.183 -7.503 414 HA SER 57 HA SER 57 -5.803 3.607 -4.874 415 HB2 SER 57 1HB SER 57 -3.785 2.274 -5.408 416 HB3 SER 57 2HB SER 57 -5.250 1.554 -6.075 417 HG SER 57 HG SER 57 -3.219 2.985 -7.423 418 H THR 58 H THR 58 -4.221 4.765 -3.849 419 HA THR 58 HA THR 58 -2.441 6.459 -5.422 420 HB THR 58 HB THR 58 -3.037 8.456 -4.008 421 HG1 THR 58 HG1 THR 58 -5.404 8.162 -3.289 422 HG21 THR 58 3HG2 THR 58 -5.531 7.810 -5.451 423 HG22 THR 58 1HG2 THR 58 -4.042 7.669 -6.384 424 HG23 THR 58 2HG2 THR 58 -4.457 9.199 -5.610 425 H CYS 59 H CYS 59 -0.504 5.974 -4.630 426 HA CYS 59 HA CYS 59 -0.223 5.400 -1.770 427 HB2 CYS 59 1HB CYS 59 1.936 4.415 -2.351 428 HB3 CYS 59 2HB CYS 59 0.657 3.721 -3.340 429 HG CYS 59 HG CYS 59 3.349 5.472 -4.257 430 H GLU 60 H GLU 60 0.512 6.928 -0.464 431 HA GLU 60 HA GLU 60 2.353 8.951 -1.549 432 HB2 GLU 60 1HB GLU 60 -0.184 9.325 -0.034 433 HB3 GLU 60 2HB GLU 60 1.147 10.419 0.318 434 HG2 GLU 60 1HG GLU 60 1.062 11.414 -1.728 435 HG3 GLU 60 2HG GLU 60 0.422 9.977 -2.524 436 H ALA 61 H ALA 61 4.234 8.887 -0.533 437 HA ALA 61 HA ALA 61 5.841 8.447 1.025 438 HB1 ALA 61 3HB ALA 61 3.640 9.744 2.553 439 HB2 ALA 61 1HB ALA 61 5.018 9.089 3.438 440 HB3 ALA 61 2HB ALA 61 5.268 10.324 2.204 441 H GLY 62 H GLY 62 4.364 6.181 0.251 442 HA2 GLY 62 1HA GLY 62 4.323 3.958 0.877 443 HA3 GLY 62 2HA GLY 62 4.987 4.429 2.434 444 H VAL 63 H VAL 63 2.027 5.722 1.048 445 HA VAL 63 HA VAL 63 0.487 4.244 3.079 446 HB VAL 63 HB VAL 63 0.087 7.131 2.284 447 HG11 VAL 63 1HG1 VAL 63 -1.867 7.171 3.431 448 HG12 VAL 63 2HG1 VAL 63 -1.891 5.466 2.976 449 HG13 VAL 63 3HG1 VAL 63 -1.344 5.944 4.583 450 HG21 VAL 63 3HG2 VAL 63 1.098 5.874 4.832 451 HG22 VAL 63 1HG2 VAL 63 1.991 6.923 3.731 452 HG23 VAL 63 2HG2 VAL 63 0.647 7.572 4.669 453 H ALA 64 H ALA 64 -0.270 2.735 1.601 454 HA ALA 64 HA ALA 64 -1.404 3.417 -0.911 455 HB1 ALA 64 3HB ALA 64 -0.945 1.012 0.630 456 HB2 ALA 64 1HB ALA 64 -2.509 0.979 -0.186 457 HB3 ALA 64 2HB ALA 64 -1.033 1.233 -1.117 458 H GLU 65 H GLU 65 -3.406 4.041 -1.447 459 HA GLU 65 HA GLU 65 -5.611 3.632 0.418 460 HB2 GLU 65 1HB GLU 65 -5.145 6.372 -0.738 461 HB3 GLU 65 2HB GLU 65 -6.247 5.903 0.549 462 HG2 GLU 65 1HG GLU 65 -4.035 5.218 1.772 463 HG3 GLU 65 2HG GLU 65 -3.309 6.355 0.638 464 H LEU 66 H LEU 66 -7.431 3.092 -0.611 465 HA LEU 66 HA LEU 66 -7.635 3.700 -3.486 466 HB2 LEU 66 1HB LEU 66 -7.143 1.349 -3.166 467 HB3 LEU 66 2HB LEU 66 -8.490 1.198 -2.039 468 HG LEU 66 HG LEU 66 -9.943 1.912 -4.065 469 HD11 LEU 66 1HD1 LEU 66 -7.317 1.260 -5.330 470 HD12 LEU 66 2HD1 LEU 66 -8.459 2.548 -5.712 471 HD13 LEU 66 3HD1 LEU 66 -8.821 0.885 -6.173 472 HD21 LEU 66 3HD2 LEU 66 -8.828 -0.666 -3.258 473 HD22 LEU 66 1HD2 LEU 66 -9.455 -0.642 -4.906 474 HD23 LEU 66 2HD2 LEU 66 -10.501 -0.195 -3.558 475 H HIS 67 H HIS 67 -9.106 5.285 -3.595 476 HA HIS 67 HA HIS 67 -11.390 5.338 -1.815 477 HB2 HIS 67 1HB HIS 67 -10.792 7.180 -4.135 478 HB3 HIS 67 2HB HIS 67 -11.894 7.479 -2.794 479 HD1 HIS 67 HD1 HIS 67 -10.954 8.907 -1.016 480 HD2 HIS 67 HD2 HIS 67 -7.982 6.882 -3.097 481 HE1 HIS 67 HE1 HIS 67 -8.780 9.719 -0.045 482 HE2 HIS 67 HE2 HIS 67 -6.995 8.543 -1.377 483 H ILE 68 H ILE 68 -13.341 4.545 -2.251 484 HA ILE 68 HA ILE 68 -14.011 3.934 -5.055 485 HB ILE 68 HB ILE 68 -14.728 2.266 -2.641 486 HG12 ILE 68 1HG1 ILE 68 -12.348 2.097 -3.352 487 HG13 ILE 68 2HG1 ILE 68 -13.236 0.591 -3.553 488 HG21 ILE 68 1HG2 ILE 68 -15.474 2.093 -5.540 489 HG22 ILE 68 2HG2 ILE 68 -15.474 0.666 -4.505 490 HG23 ILE 68 3HG2 ILE 68 -16.518 2.034 -4.120 491 HD11 ILE 68 3HD1 ILE 68 -12.638 2.558 -5.749 492 HD12 ILE 68 1HD1 ILE 68 -11.747 1.069 -5.436 493 HD13 ILE 68 2HD1 ILE 68 -13.440 0.998 -5.926 494 H GLN 69 H GLN 69 -15.388 5.579 -5.492 495 HA GLN 69 HA GLN 69 -17.406 6.385 -3.582 496 HB2 GLN 69 1HB GLN 69 -18.009 8.078 -5.208 497 HB3 GLN 69 2HB GLN 69 -16.261 8.044 -5.013 498 HG2 GLN 69 1HG GLN 69 -15.909 7.132 -7.103 499 HG3 GLN 69 2HG GLN 69 -17.545 6.481 -7.207 500 HE21 GLN 69 1HE2 GLN 69 -15.805 9.560 -7.012 501 HE22 GLN 69 2HE2 GLN 69 -16.864 10.425 -8.067 502 H ASP 70 H ASP 70 -19.686 6.418 -4.081 503 HA ASP 70 HA ASP 70 -21.637 5.385 -4.631 504 HB2 ASP 70 1HB ASP 70 -20.053 5.314 -7.151 505 HB3 ASP 70 2HB ASP 70 -21.512 4.330 -7.080 506 H ALA 71 H ALA 71 -20.171 3.876 -2.976 507 HA ALA 71 HA ALA 71 -19.383 1.338 -3.755 508 HB1 ALA 71 3HB ALA 71 -19.165 0.909 -1.553 509 HB2 ALA 71 1HB ALA 71 -19.468 2.640 -1.398 510 HB3 ALA 71 2HB ALA 71 -20.785 1.489 -1.169 511 H LEU 72 H LEU 72 -20.694 0.341 -5.240 512 HA LEU 72 HA LEU 72 -23.526 0.062 -4.812 513 HB2 LEU 72 1HB LEU 72 -21.588 -0.918 -6.870 514 HB3 LEU 72 2HB LEU 72 -23.220 -1.579 -6.798 515 HG LEU 72 HG LEU 72 -22.617 1.355 -7.137 516 HD11 LEU 72 1HD1 LEU 72 -21.816 0.617 -9.134 517 HD12 LEU 72 2HD1 LEU 72 -23.534 0.679 -9.527 518 HD13 LEU 72 3HD1 LEU 72 -22.781 -0.859 -9.106 519 HD21 LEU 72 3HD2 LEU 72 -24.964 1.404 -7.924 520 HD22 LEU 72 1HD2 LEU 72 -24.809 0.930 -6.233 521 HD23 LEU 72 2HD2 LEU 72 -25.123 -0.292 -7.465 522 HA PRO 73 HA PRO 73 -23.631 -3.712 -2.574 523 HB2 PRO 73 1HB PRO 73 -25.828 -4.909 -3.628 524 HB3 PRO 73 2HB PRO 73 -25.920 -3.507 -2.555 525 HG2 PRO 73 1HG PRO 73 -26.085 -3.621 -5.542 526 HG3 PRO 73 2HG PRO 73 -27.065 -2.680 -4.402 527 HD2 PRO 73 1HD PRO 73 -25.015 -1.597 -5.800 528 HD3 PRO 73 2HD PRO 73 -25.454 -1.048 -4.170 529 H GLU 74 H GLU 74 -23.170 -3.687 -5.954 530 HA GLU 74 HA GLU 74 -22.646 -6.575 -6.028 531 HB2 GLU 74 1HB GLU 74 -22.649 -6.359 -8.456 532 HB3 GLU 74 2HB GLU 74 -24.127 -5.693 -7.778 533 HG2 GLU 74 1HG GLU 74 -23.178 -3.433 -7.985 534 HG3 GLU 74 2HG GLU 74 -21.741 -4.129 -8.733 535 H ASP 75 H ASP 75 -21.033 -3.815 -5.366 536 HA ASP 75 HA ASP 75 -18.586 -4.477 -6.806 537 HB2 ASP 75 1HB ASP 75 -18.964 -2.157 -6.784 538 HB3 ASP 75 2HB ASP 75 -19.440 -2.160 -5.088 539 H HIS 76 H HIS 76 -19.955 -4.643 -3.601 540 HA HIS 76 HA HIS 76 -17.750 -4.934 -1.994 541 HB2 HIS 76 1HB HIS 76 -19.161 -5.838 -0.411 542 HB3 HIS 76 2HB HIS 76 -20.335 -5.092 -1.491 543 HD1 HIS 76 HD1 HIS 76 -20.707 -7.139 -3.638 544 HD2 HIS 76 HD2 HIS 76 -20.287 -8.164 0.366 545 HE1 HIS 76 HE1 HIS 76 -21.752 -9.415 -3.414 546 HE2 HIS 76 HE2 HIS 76 -21.562 -9.978 -0.967 547 H GLY 77 H GLY 77 -16.532 -6.721 -1.243 548 HA2 GLY 77 1HA GLY 77 -16.725 -9.351 -2.133 549 HA3 GLY 77 2HA GLY 77 -15.700 -8.503 -3.281 550 H THR 78 H THR 78 -13.668 -9.080 -2.884 551 HA THR 78 HA THR 78 -12.671 -8.799 -0.134 552 HB THR 78 HB THR 78 -11.822 -11.040 -1.974 553 HG1 THR 78 HG1 THR 78 -13.946 -11.422 -1.289 554 HG21 THR 78 3HG2 THR 78 -10.128 -10.367 -0.356 555 HG22 THR 78 1HG2 THR 78 -10.789 -11.945 0.068 556 HG23 THR 78 2HG2 THR 78 -11.300 -10.508 0.954 557 H TYR 79 H TYR 79 -11.513 -6.962 -0.420 558 HA TYR 79 HA TYR 79 -9.906 -6.516 -2.762 559 HB2 TYR 79 1HB TYR 79 -10.323 -5.002 -0.194 560 HB3 TYR 79 2HB TYR 79 -9.104 -4.509 -1.363 561 HD1 TYR 79 HD2 TYR 79 -12.739 -5.054 -0.897 562 HD2 TYR 79 HD1 TYR 79 -9.701 -3.297 -3.303 563 HE1 TYR 79 HE2 TYR 79 -14.456 -3.822 -2.155 564 HE2 TYR 79 HE1 TYR 79 -11.409 -2.060 -4.567 565 HH TYR 79 HH TYR 79 -14.086 -1.292 -3.776 566 H THR 80 H THR 80 -7.653 -6.407 -2.872 567 HA THR 80 HA THR 80 -6.102 -7.356 -0.592 568 HB THR 80 HB THR 80 -5.941 -8.745 -3.273 569 HG1 THR 80 HG1 THR 80 -6.972 -10.452 -2.251 570 HG21 THR 80 3HG2 THR 80 -3.966 -8.481 -1.436 571 HG22 THR 80 1HG2 THR 80 -4.138 -9.870 -2.508 572 HG23 THR 80 2HG2 THR 80 -4.758 -9.947 -0.858 573 H CYS 81 H CYS 81 -4.366 -6.113 -0.399 574 HA CYS 81 HA CYS 81 -3.386 -4.683 -2.771 575 HB2 CYS 81 1HB CYS 81 -4.145 -3.364 -0.761 576 HB3 CYS 81 2HB CYS 81 -2.795 -4.061 0.126 577 HG CYS 81 HG CYS 81 -2.312 -2.276 -2.744 578 H LEU 82 H LEU 82 -1.670 -5.556 -3.709 579 HA LEU 82 HA LEU 82 0.201 -7.135 -2.099 580 HB2 LEU 82 1HB LEU 82 -0.567 -8.343 -3.969 581 HB3 LEU 82 2HB LEU 82 -0.351 -6.965 -5.046 582 HG LEU 82 HG LEU 82 2.077 -7.213 -4.879 583 HD11 LEU 82 1HD1 LEU 82 3.152 -8.681 -3.521 584 HD12 LEU 82 2HD1 LEU 82 1.828 -9.845 -3.540 585 HD13 LEU 82 3HD1 LEU 82 1.719 -8.402 -2.531 586 HD21 LEU 82 3HD2 LEU 82 0.260 -9.163 -6.014 587 HD22 LEU 82 1HD2 LEU 82 1.846 -9.856 -5.675 588 HD23 LEU 82 2HD2 LEU 82 1.709 -8.431 -6.706 589 H ALA 83 H ALA 83 2.064 -6.278 -1.485 590 HA ALA 83 HA ALA 83 3.216 -4.098 -3.099 591 HB1 ALA 83 3HB ALA 83 4.162 -3.731 -0.510 592 HB2 ALA 83 1HB ALA 83 2.949 -2.760 -1.345 593 HB3 ALA 83 2HB ALA 83 2.449 -4.102 -0.316 594 H GLU 84 H GLU 84 4.842 -5.098 -4.146 595 HA GLU 84 HA GLU 84 6.860 -6.456 -2.493 596 HB2 GLU 84 1HB GLU 84 7.216 -8.125 -4.193 597 HB3 GLU 84 2HB GLU 84 5.511 -8.114 -3.765 598 HG2 GLU 84 1HG GLU 84 5.169 -6.606 -5.777 599 HG3 GLU 84 2HG GLU 84 6.812 -7.041 -6.245 600 H ASN 85 H ASN 85 9.017 -6.274 -3.214 601 HA ASN 85 HA ASN 85 9.510 -4.394 -5.408 602 HB2 ASN 85 1HB ASN 85 11.050 -3.080 -4.085 603 HB3 ASN 85 2HB ASN 85 9.494 -3.126 -3.261 604 HD21 ASN 85 1HD2 ASN 85 11.014 -2.430 -1.501 605 HD22 ASN 85 2HD2 ASN 85 11.714 -3.680 -0.535 606 H ALA 86 H ALA 86 12.152 -4.169 -5.415 607 HA ALA 86 HA ALA 86 13.064 -6.629 -6.416 608 HB1 ALA 86 3HB ALA 86 15.124 -5.565 -6.808 609 HB2 ALA 86 1HB ALA 86 13.909 -4.297 -6.970 610 HB3 ALA 86 2HB ALA 86 14.873 -4.413 -5.497 611 H LEU 87 H LEU 87 12.933 -5.409 -3.218 612 HA LEU 87 HA LEU 87 15.036 -7.123 -2.203 613 HB2 LEU 87 1HB LEU 87 13.163 -5.122 -1.020 614 HB3 LEU 87 2HB LEU 87 13.971 -6.281 0.033 615 HG LEU 87 HG LEU 87 14.980 -3.898 -0.372 616 HD11 LEU 87 1HD1 LEU 87 16.938 -6.137 -0.614 617 HD12 LEU 87 2HD1 LEU 87 15.912 -6.019 0.815 618 HD13 LEU 87 3HD1 LEU 87 16.998 -4.694 0.398 619 HD21 LEU 87 3HD2 LEU 87 14.957 -4.145 -2.843 620 HD22 LEU 87 1HD2 LEU 87 16.159 -5.427 -2.687 621 HD23 LEU 87 2HD2 LEU 87 16.553 -3.783 -2.183 622 H GLY 88 H GLY 88 11.693 -6.749 -1.038 623 HA2 GLY 88 1HA GLY 88 11.489 -9.697 -1.004 624 HA3 GLY 88 2HA GLY 88 10.939 -8.711 0.342 625 H GLN 89 H GLN 89 8.893 -9.844 -0.014 626 HA GLN 89 HA GLN 89 7.152 -8.262 -1.681 627 HB2 GLN 89 1HB GLN 89 6.189 -10.222 -2.862 628 HB3 GLN 89 2HB GLN 89 7.853 -9.888 -3.322 629 HG2 GLN 89 1HG GLN 89 8.651 -11.697 -1.964 630 HG3 GLN 89 2HG GLN 89 7.034 -11.976 -1.317 631 HE21 GLN 89 1HE2 GLN 89 5.485 -11.858 -3.542 632 HE22 GLN 89 2HE2 GLN 89 5.896 -13.141 -4.623 633 H VAL 90 H VAL 90 5.273 -7.978 -0.668 634 HA VAL 90 HA VAL 90 4.274 -10.056 1.138 635 HB VAL 90 HB VAL 90 3.816 -8.483 2.922 636 HG11 VAL 90 1HG1 VAL 90 6.660 -8.555 1.952 637 HG12 VAL 90 2HG1 VAL 90 6.208 -7.857 3.508 638 HG13 VAL 90 3HG1 VAL 90 5.894 -9.561 3.180 639 HG21 VAL 90 3HG2 VAL 90 4.243 -6.545 0.888 640 HG22 VAL 90 1HG2 VAL 90 3.665 -6.303 2.536 641 HG23 VAL 90 2HG2 VAL 90 5.393 -6.241 2.190 642 H SER 91 H SER 91 2.031 -9.982 1.517 643 HA SER 91 HA SER 91 0.487 -8.003 0.012 644 HB2 SER 91 1HB SER 91 -0.831 -9.649 -1.126 645 HB3 SER 91 2HB SER 91 0.860 -10.055 -1.416 646 HG SER 91 HG SER 91 0.652 -11.569 0.346 647 H CYS 92 H CYS 92 -1.772 -7.923 0.624 648 HA CYS 92 HA CYS 92 -2.543 -9.337 3.043 649 HB2 CYS 92 1HB CYS 92 -3.030 -7.341 4.317 650 HB3 CYS 92 2HB CYS 92 -1.339 -7.306 3.830 651 HG CYS 92 HG CYS 92 -1.764 -4.774 3.346 652 H SER 93 H SER 93 -4.757 -9.455 3.353 653 HA SER 93 HA SER 93 -6.395 -8.306 1.188 654 HB2 SER 93 1HB SER 93 -7.843 -10.281 1.359 655 HB3 SER 93 2HB SER 93 -6.182 -10.754 1.001 656 HG SER 93 HG SER 93 -6.971 -10.617 3.679 657 H ALA 94 H ALA 94 -8.686 -7.966 1.751 658 HA ALA 94 HA ALA 94 -9.328 -7.725 4.568 659 HB1 ALA 94 3HB ALA 94 -9.128 -5.519 4.815 660 HB2 ALA 94 1HB ALA 94 -8.170 -5.546 3.334 661 HB3 ALA 94 2HB ALA 94 -9.897 -5.195 3.261 662 H TRP 95 H TRP 95 -11.446 -8.040 4.916 663 HA TRP 95 HA TRP 95 -13.159 -8.464 2.615 664 HB2 TRP 95 1HB TRP 95 -13.424 -10.171 4.185 665 HB3 TRP 95 2HB TRP 95 -13.372 -9.057 5.549 666 HD1 TRP 95 HD1 TRP 95 -15.641 -8.151 6.441 667 HE1 TRP 95 HE1 TRP 95 -18.103 -8.509 5.782 668 HE3 TRP 95 HE3 TRP 95 -14.947 -10.592 2.003 669 HZ2 TRP 95 HZ2 TRP 95 -19.559 -9.672 3.662 670 HZ3 TRP 95 HZ3 TRP 95 -16.927 -11.294 0.721 671 HH2 TRP 95 HH2 TRP 95 -19.184 -10.843 1.536 672 H VAL 96 H VAL 96 -14.725 -7.138 1.930 673 HA VAL 96 HA VAL 96 -15.402 -4.818 3.620 674 HB VAL 96 HB VAL 96 -15.407 -4.857 0.602 675 HG11 VAL 96 1HG1 VAL 96 -16.936 -3.239 1.495 676 HG12 VAL 96 2HG1 VAL 96 -15.719 -2.646 2.627 677 HG13 VAL 96 3HG1 VAL 96 -15.513 -2.389 0.894 678 HG21 VAL 96 3HG2 VAL 96 -13.132 -5.073 1.227 679 HG22 VAL 96 1HG2 VAL 96 -13.385 -3.365 0.867 680 HG23 VAL 96 2HG2 VAL 96 -13.308 -3.911 2.542 681 H THR 97 H THR 97 -17.524 -4.267 3.841 682 HA THR 97 HA THR 97 -19.499 -5.938 2.430 683 HB THR 97 HB THR 97 -19.500 -5.139 5.343 684 HG1 THR 97 HG1 THR 97 -19.849 -7.736 4.275 685 HG21 THR 97 3HG2 THR 97 -21.684 -6.631 5.187 686 HG22 THR 97 1HG2 THR 97 -21.714 -5.990 3.545 687 HG23 THR 97 2HG2 THR 97 -21.738 -4.889 4.922 688 H VAL 98 H VAL 98 -21.119 -4.874 1.468 689 HA VAL 98 HA VAL 98 -21.410 -2.000 2.053 690 HB VAL 98 HB VAL 98 -21.986 -3.448 -0.536 691 HG11 VAL 98 1HG1 VAL 98 -23.522 -1.615 -0.236 692 HG12 VAL 98 2HG1 VAL 98 -22.199 -0.529 0.194 693 HG13 VAL 98 3HG1 VAL 98 -22.319 -1.170 -1.446 694 HG21 VAL 98 3HG2 VAL 98 -19.556 -2.484 0.520 695 HG22 VAL 98 1HG2 VAL 98 -19.874 -3.075 -1.111 696 HG23 VAL 98 2HG2 VAL 98 -20.045 -1.358 -0.746 697 H HIS 99 H HIS 99 -23.102 -1.820 3.399 698 HA HIS 99 HA HIS 99 -25.266 -3.515 3.667 699 HB2 HIS 99 1HB HIS 99 -25.210 -0.524 4.115 700 HB3 HIS 99 2HB HIS 99 -26.424 -1.628 4.754 701 HD1 HIS 99 HD1 HIS 99 -25.301 -3.607 6.346 702 HD2 HIS 99 HD2 HIS 99 -23.181 -0.070 5.838 703 HE1 HIS 99 HE1 HIS 99 -23.655 -3.531 8.246 704 HE2 HIS 99 HE2 HIS 99 -22.442 -1.342 7.966 Start of MODEL 13 1 H1 GLY 1 H GLY 1 34.546 8.337 -9.727 2 HA2 GLY 1 1HA GLY 1 32.619 9.209 -10.621 3 HA3 GLY 1 2HA GLY 1 31.798 8.397 -9.296 4 H SER 2 H SER 2 30.450 10.442 -9.811 5 HA SER 2 HA SER 2 31.399 12.617 -8.062 6 HB2 SER 2 1HB SER 2 31.096 13.050 -10.620 7 HB3 SER 2 2HB SER 2 29.376 13.076 -10.233 8 HG SER 2 HG SER 2 31.349 14.909 -9.650 9 H SER 3 H SER 3 30.061 10.411 -7.029 10 HA SER 3 HA SER 3 27.798 11.701 -5.811 11 HB2 SER 3 1HB SER 3 26.082 10.222 -6.500 12 HB3 SER 3 2HB SER 3 26.934 10.649 -7.984 13 HG SER 3 HG SER 3 28.168 8.653 -7.600 14 H GLY 4 H GLY 4 26.803 10.284 -4.110 15 HA2 GLY 4 1HA GLY 4 28.856 8.459 -3.018 16 HA3 GLY 4 2HA GLY 4 27.878 9.524 -2.020 17 H SER 5 H SER 5 26.733 8.152 -0.789 18 HA SER 5 HA SER 5 24.962 6.270 -2.190 19 HB2 SER 5 1HB SER 5 26.909 5.064 -1.161 20 HB3 SER 5 2HB SER 5 26.366 5.638 0.416 21 HG SER 5 HG SER 5 24.624 4.233 -1.300 22 H SER 6 H SER 6 22.978 5.826 -1.135 23 HA SER 6 HA SER 6 22.102 8.017 0.581 24 HB2 SER 6 1HB SER 6 20.818 7.338 -1.487 25 HB3 SER 6 2HB SER 6 20.402 5.841 -0.652 26 HG SER 6 HG SER 6 19.190 6.954 0.771 27 H GLY 7 H GLY 7 21.809 4.461 0.498 28 HA2 GLY 7 1HA GLY 7 22.564 3.959 3.102 29 HA3 GLY 7 2HA GLY 7 20.841 4.296 3.178 30 H MET 8 H MET 8 20.564 2.120 3.934 31 HA MET 8 HA MET 8 21.063 0.008 1.974 32 HB2 MET 8 1HB MET 8 21.757 -0.577 4.177 33 HB3 MET 8 2HB MET 8 20.235 -0.038 4.874 34 HG2 MET 8 1HG MET 8 19.067 -1.867 3.779 35 HG3 MET 8 2HG MET 8 20.575 -2.395 3.035 36 HE1 MET 8 3HE MET 8 19.437 -5.058 5.286 37 HE2 MET 8 1HE MET 8 19.894 -4.504 3.675 38 HE3 MET 8 2HE MET 8 21.120 -5.150 4.765 39 H GLU 9 H GLU 9 19.447 -1.250 1.078 40 HA GLU 9 HA GLU 9 16.931 0.028 0.694 41 HB2 GLU 9 1HB GLU 9 17.939 -2.703 -0.111 42 HB3 GLU 9 2HB GLU 9 16.377 -2.057 -0.592 43 HG2 GLU 9 1HG GLU 9 17.620 -1.524 -2.421 44 HG3 GLU 9 2HG GLU 9 17.826 -0.056 -1.467 45 H VAL 10 H VAL 10 14.885 -1.461 0.826 46 HA VAL 10 HA VAL 10 14.846 -3.013 3.303 47 HB VAL 10 HB VAL 10 13.260 -0.514 2.812 48 HG11 VAL 10 1HG1 VAL 10 11.545 -2.106 3.237 49 HG12 VAL 10 2HG1 VAL 10 12.471 -2.848 4.544 50 HG13 VAL 10 3HG1 VAL 10 11.815 -1.222 4.739 51 HG21 VAL 10 3HG2 VAL 10 15.299 -1.417 4.658 52 HG22 VAL 10 1HG2 VAL 10 14.717 0.215 4.332 53 HG23 VAL 10 2HG2 VAL 10 13.879 -0.801 5.505 54 H ALA 11 H ALA 11 13.015 -4.397 3.513 55 HA ALA 11 HA ALA 11 11.946 -5.218 0.934 56 HB1 ALA 11 3HB ALA 11 10.925 -6.944 2.837 57 HB2 ALA 11 1HB ALA 11 12.363 -7.205 1.850 58 HB3 ALA 11 2HB ALA 11 12.515 -6.513 3.466 59 HA PRO 12 HA PRO 12 7.876 -3.656 1.429 60 HB2 PRO 12 1HB PRO 12 6.353 -5.676 0.443 61 HB3 PRO 12 2HB PRO 12 7.357 -4.642 -0.581 62 HG2 PRO 12 1HG PRO 12 7.922 -7.387 0.470 63 HG3 PRO 12 2HG PRO 12 8.212 -6.728 -1.151 64 HD2 PRO 12 1HD PRO 12 10.177 -6.969 0.698 65 HD3 PRO 12 2HD PRO 12 10.154 -5.665 -0.507 66 H SER 13 H SER 13 6.625 -3.428 3.167 67 HA SER 13 HA SER 13 5.668 -5.777 4.604 68 HB2 SER 13 1HB SER 13 7.902 -4.755 5.586 69 HB3 SER 13 2HB SER 13 6.796 -3.568 6.277 70 HG SER 13 HG SER 13 6.151 -6.272 6.540 71 H PHE 14 H PHE 14 3.907 -5.300 6.069 72 HA PHE 14 HA PHE 14 2.467 -2.856 5.283 73 HB2 PHE 14 1HB PHE 14 1.547 -5.632 5.938 74 HB3 PHE 14 2HB PHE 14 0.453 -4.273 6.177 75 HD1 PHE 14 HD2 PHE 14 0.243 -2.652 4.120 76 HD2 PHE 14 HD1 PHE 14 1.569 -6.690 3.901 77 HE1 PHE 14 HE2 PHE 14 -0.359 -2.716 1.735 78 HE2 PHE 14 HE1 PHE 14 0.970 -6.761 1.515 79 HZ PHE 14 HZ PHE 14 0.003 -4.773 0.430 80 H SER 15 H SER 15 3.229 -1.480 6.869 81 HA SER 15 HA SER 15 3.576 -2.026 9.563 82 HB2 SER 15 1HB SER 15 2.677 0.592 8.335 83 HB3 SER 15 2HB SER 15 3.409 0.395 9.927 84 HG SER 15 HG SER 15 4.670 -0.372 7.505 85 H SER 16 H SER 16 0.655 -1.394 7.775 86 HA SER 16 HA SER 16 -0.927 -2.145 10.091 87 HB2 SER 16 1HB SER 16 -0.579 0.468 9.904 88 HB3 SER 16 2HB SER 16 -1.829 0.327 8.668 89 HG SER 16 HG SER 16 -3.073 0.477 10.379 90 H VAL 17 H VAL 17 -1.908 -3.856 9.201 91 HA VAL 17 HA VAL 17 -2.661 -4.010 6.460 92 HB VAL 17 HB VAL 17 -3.771 -6.108 7.061 93 HG11 VAL 17 1HG1 VAL 17 -1.541 -6.815 8.582 94 HG12 VAL 17 2HG1 VAL 17 -1.708 -6.906 6.827 95 HG13 VAL 17 3HG1 VAL 17 -1.007 -5.470 7.574 96 HG21 VAL 17 3HG2 VAL 17 -3.378 -5.066 9.834 97 HG22 VAL 17 1HG2 VAL 17 -4.800 -5.813 9.106 98 HG23 VAL 17 2HG2 VAL 17 -3.411 -6.805 9.547 99 H LEU 18 H LEU 18 -4.883 -4.404 5.706 100 HA LEU 18 HA LEU 18 -6.612 -2.300 6.488 101 HB2 LEU 18 1HB LEU 18 -7.205 -4.717 4.788 102 HB3 LEU 18 2HB LEU 18 -8.183 -3.254 4.882 103 HG LEU 18 HG LEU 18 -5.339 -3.031 4.010 104 HD11 LEU 18 1HD1 LEU 18 -7.554 -3.772 2.115 105 HD12 LEU 18 2HD1 LEU 18 -6.399 -4.939 2.757 106 HD13 LEU 18 3HD1 LEU 18 -5.835 -3.595 1.765 107 HD21 LEU 18 3HD2 LEU 18 -7.911 -1.587 3.399 108 HD22 LEU 18 1HD2 LEU 18 -6.385 -1.264 2.576 109 HD23 LEU 18 2HD2 LEU 18 -6.527 -0.987 4.312 110 H LYS 19 H LYS 19 -8.825 -2.520 7.240 111 HA LYS 19 HA LYS 19 -9.299 -4.916 8.876 112 HB2 LYS 19 1HB LYS 19 -9.569 -2.036 9.740 113 HB3 LYS 19 2HB LYS 19 -10.273 -3.381 10.628 114 HG2 LYS 19 1HG LYS 19 -7.337 -3.179 10.015 115 HG3 LYS 19 2HG LYS 19 -8.069 -2.531 11.484 116 HD2 LYS 19 1HD LYS 19 -8.828 -4.727 12.130 117 HD3 LYS 19 2HD LYS 19 -8.268 -5.409 10.601 118 HE2 LYS 19 1HE LYS 19 -6.512 -5.972 11.951 119 HE3 LYS 19 2HE LYS 19 -5.966 -4.394 11.385 120 HZ1 LYS 19 3HZ LYS 19 -6.193 -3.493 13.415 121 HZ2 LYS 19 1HZ LYS 19 -6.079 -5.093 13.954 122 HZ3 LYS 19 2HZ LYS 19 -7.596 -4.364 13.783 123 H ASP 20 H ASP 20 -11.365 -5.655 8.909 124 HA ASP 20 HA ASP 20 -13.127 -5.207 6.896 125 HB2 ASP 20 1HB ASP 20 -13.603 -6.082 9.735 126 HB3 ASP 20 2HB ASP 20 -14.930 -5.971 8.582 127 H CYS 21 H CYS 21 -14.658 -3.758 6.349 128 HA CYS 21 HA CYS 21 -15.506 -1.756 8.302 129 HB2 CYS 21 1HB CYS 21 -13.483 -1.047 6.743 130 HB3 CYS 21 2HB CYS 21 -14.773 -0.771 5.580 131 HG CYS 21 HG CYS 21 -16.092 1.137 7.069 132 H ALA 22 H ALA 22 -17.384 -0.505 7.566 133 HA ALA 22 HA ALA 22 -18.952 -1.915 5.511 134 HB1 ALA 22 3HB ALA 22 -20.031 -2.705 7.371 135 HB2 ALA 22 1HB ALA 22 -19.687 -1.259 8.321 136 HB3 ALA 22 2HB ALA 22 -20.942 -1.224 7.082 137 H VAL 23 H VAL 23 -20.381 -0.666 4.296 138 HA VAL 23 HA VAL 23 -20.409 2.223 4.771 139 HB VAL 23 HB VAL 23 -18.553 1.651 3.153 140 HG11 VAL 23 1HG1 VAL 23 -19.445 -0.127 1.894 141 HG12 VAL 23 2HG1 VAL 23 -20.916 0.771 1.516 142 HG13 VAL 23 3HG1 VAL 23 -19.381 1.243 0.786 143 HG21 VAL 23 3HG2 VAL 23 -20.500 3.291 1.640 144 HG22 VAL 23 1HG2 VAL 23 -20.126 3.803 3.285 145 HG23 VAL 23 2HG2 VAL 23 -18.833 3.643 2.097 146 H ILE 24 H ILE 24 -22.035 3.344 3.432 147 HA ILE 24 HA ILE 24 -24.441 1.725 3.248 148 HB ILE 24 HB ILE 24 -23.938 4.687 3.134 149 HG12 ILE 24 1HG1 ILE 24 -24.021 3.720 5.355 150 HG13 ILE 24 2HG1 ILE 24 -25.484 4.661 5.084 151 HG21 ILE 24 1HG2 ILE 24 -25.606 4.295 1.458 152 HG22 ILE 24 2HG2 ILE 24 -26.506 3.231 2.537 153 HG23 ILE 24 3HG2 ILE 24 -26.400 4.956 2.887 154 HD11 ILE 24 3HD1 ILE 24 -25.134 1.770 5.492 155 HD12 ILE 24 1HD1 ILE 24 -26.463 2.835 5.951 156 HD13 ILE 24 2HD1 ILE 24 -26.337 2.244 4.293 157 H GLU 25 H GLU 25 -25.723 1.520 1.406 158 HA GLU 25 HA GLU 25 -24.379 1.205 -1.031 159 HB2 GLU 25 1HB GLU 25 -26.643 0.214 -0.166 160 HB3 GLU 25 2HB GLU 25 -27.342 1.633 -0.934 161 HG2 GLU 25 1HG GLU 25 -26.675 0.963 -3.061 162 HG3 GLU 25 2HG GLU 25 -25.493 -0.182 -2.431 163 H GLY 26 H GLY 26 -23.440 2.881 -2.036 164 HA2 GLY 26 1HA GLY 26 -23.846 4.608 -3.694 165 HA3 GLY 26 2HA GLY 26 -25.160 5.190 -2.682 166 H GLN 27 H GLN 27 -22.810 4.417 -0.567 167 HA GLN 27 HA GLN 27 -21.963 7.196 -0.348 168 HB2 GLN 27 1HB GLN 27 -21.966 4.835 1.488 169 HB3 GLN 27 2HB GLN 27 -20.863 6.167 1.809 170 HG2 GLN 27 1HG GLN 27 -23.856 6.176 1.792 171 HG3 GLN 27 2HG GLN 27 -22.754 6.630 3.091 172 HE21 GLN 27 1HE2 GLN 27 -24.367 7.641 0.220 173 HE22 GLN 27 2HE2 GLN 27 -23.911 9.306 0.290 174 H ASP 28 H ASP 28 -19.646 7.566 0.359 175 HA ASP 28 HA ASP 28 -17.895 6.105 -1.480 176 HB2 ASP 28 1HB ASP 28 -18.007 8.570 -1.689 177 HB3 ASP 28 2HB ASP 28 -17.414 8.721 -0.038 178 H PHE 29 H PHE 29 -15.776 5.454 -0.811 179 HA PHE 29 HA PHE 29 -15.045 5.463 1.957 180 HB2 PHE 29 1HB PHE 29 -15.374 3.232 2.537 181 HB3 PHE 29 2HB PHE 29 -16.837 3.602 1.630 182 HD1 PHE 29 HD2 PHE 29 -13.538 1.958 1.440 183 HD2 PHE 29 HD1 PHE 29 -17.358 2.465 -0.367 184 HE1 PHE 29 HE2 PHE 29 -13.067 0.077 -0.074 185 HE2 PHE 29 HE1 PHE 29 -16.894 0.584 -1.884 186 HZ PHE 29 HZ PHE 29 -14.745 -0.612 -1.740 187 H VAL 30 H VAL 30 -12.899 5.483 2.054 188 HA VAL 30 HA VAL 30 -11.388 4.327 -0.200 189 HB VAL 30 HB VAL 30 -11.010 6.623 -0.387 190 HG11 VAL 30 1HG1 VAL 30 -10.367 8.022 1.622 191 HG12 VAL 30 2HG1 VAL 30 -12.044 7.475 1.560 192 HG13 VAL 30 3HG1 VAL 30 -10.889 6.664 2.618 193 HG21 VAL 30 3HG2 VAL 30 -8.935 4.998 0.147 194 HG22 VAL 30 1HG2 VAL 30 -8.753 6.699 -0.283 195 HG23 VAL 30 2HG2 VAL 30 -8.705 6.207 1.410 196 H LEU 31 H LEU 31 -10.422 2.513 0.422 197 HA LEU 31 HA LEU 31 -9.876 1.870 3.137 198 HB2 LEU 31 1HB LEU 31 -9.007 0.595 0.551 199 HB3 LEU 31 2HB LEU 31 -8.652 -0.078 2.141 200 HG LEU 31 HG LEU 31 -11.491 0.458 1.384 201 HD11 LEU 31 1HD1 LEU 31 -11.726 -1.561 0.216 202 HD12 LEU 31 2HD1 LEU 31 -10.113 -2.112 0.670 203 HD13 LEU 31 3HD1 LEU 31 -10.301 -0.794 -0.487 204 HD21 LEU 31 3HD2 LEU 31 -10.355 -0.452 3.648 205 HD22 LEU 31 1HD2 LEU 31 -10.621 -1.976 2.801 206 HD23 LEU 31 2HD2 LEU 31 -11.979 -0.896 3.121 207 H GLN 32 H GLN 32 -8.316 2.775 4.296 208 HA GLN 32 HA GLN 32 -5.809 3.528 2.957 209 HB2 GLN 32 1HB GLN 32 -7.053 5.353 4.084 210 HB3 GLN 32 2HB GLN 32 -6.898 4.489 5.608 211 HG2 GLN 32 1HG GLN 32 -4.335 4.588 5.007 212 HG3 GLN 32 2HG GLN 32 -4.856 5.973 4.050 213 HE21 GLN 32 1HE2 GLN 32 -3.935 7.555 5.251 214 HE22 GLN 32 2HE2 GLN 32 -4.385 7.917 6.879 215 H CYS 33 H CYS 33 -3.975 2.506 3.450 216 HA CYS 33 HA CYS 33 -3.775 1.042 5.976 217 HB2 CYS 33 1HB CYS 33 -2.840 -0.931 4.801 218 HB3 CYS 33 2HB CYS 33 -4.523 -0.630 4.384 219 HG CYS 33 HG CYS 33 -4.200 -0.216 1.839 220 H SER 34 H SER 34 -1.580 0.488 6.563 221 HA SER 34 HA SER 34 0.313 2.470 5.543 222 HB2 SER 34 1HB SER 34 0.683 0.689 7.953 223 HB3 SER 34 2HB SER 34 1.521 2.195 7.579 224 HG SER 34 HG SER 34 -0.291 3.332 8.063 225 H VAL 35 H VAL 35 1.943 1.932 4.254 226 HA VAL 35 HA VAL 35 3.061 -0.762 4.350 227 HB VAL 35 HB VAL 35 1.467 -1.079 2.622 228 HG11 VAL 35 1HG1 VAL 35 0.747 1.095 2.092 229 HG12 VAL 35 2HG1 VAL 35 2.370 1.609 1.626 230 HG13 VAL 35 3HG1 VAL 35 1.475 0.480 0.608 231 HG21 VAL 35 3HG2 VAL 35 2.944 -2.083 1.294 232 HG22 VAL 35 1HG2 VAL 35 3.522 -0.535 0.678 233 HG23 VAL 35 2HG2 VAL 35 4.218 -1.214 2.149 234 H ARG 36 H ARG 36 5.213 -0.729 4.200 235 HA ARG 36 HA ARG 36 6.500 1.613 2.966 236 HB2 ARG 36 1HB ARG 36 7.420 0.231 5.493 237 HB3 ARG 36 2HB ARG 36 8.193 1.607 4.718 238 HG2 ARG 36 1HG ARG 36 6.239 2.983 5.179 239 HG3 ARG 36 2HG ARG 36 5.435 1.601 5.925 240 HD2 ARG 36 1HD ARG 36 7.972 2.932 6.868 241 HD3 ARG 36 2HD ARG 36 6.385 3.043 7.628 242 HE ARG 36 HE ARG 36 6.919 0.371 7.571 243 HH11 ARG 36 2HH1 ARG 36 8.570 3.176 8.807 244 HH12 ARG 36 1HH1 ARG 36 9.336 2.316 10.101 245 HH21 ARG 36 2HH2 ARG 36 7.922 -0.772 9.271 246 HH22 ARG 36 1HH2 ARG 36 8.968 0.070 10.363 247 H GLY 37 H GLY 37 8.742 1.225 2.284 248 HA2 GLY 37 1HA GLY 37 10.157 -1.087 2.222 249 HA3 GLY 37 2HA GLY 37 8.948 -1.338 0.971 250 H THR 38 H THR 38 11.919 -1.022 0.870 251 HA THR 38 HA THR 38 11.962 1.121 -1.147 252 HB THR 38 HB THR 38 13.972 0.599 1.030 253 HG1 THR 38 HG1 THR 38 13.184 3.134 0.121 254 HG21 THR 38 3HG2 THR 38 14.411 1.940 -1.629 255 HG22 THR 38 1HG2 THR 38 15.359 0.652 -0.887 256 HG23 THR 38 2HG2 THR 38 15.411 2.284 -0.218 257 HA PRO 39 HA PRO 39 12.649 1.706 -2.916 258 HB2 PRO 39 1HB PRO 39 11.750 1.033 -5.388 259 HB3 PRO 39 2HB PRO 39 13.449 1.381 -5.046 260 HG2 PRO 39 1HG PRO 39 12.071 -1.264 -5.299 261 HG3 PRO 39 2HG PRO 39 13.644 -0.757 -5.939 262 HD2 PRO 39 1HD PRO 39 13.398 -2.248 -3.693 263 HD3 PRO 39 2HD PRO 39 14.709 -1.072 -3.920 264 H VAL 40 H VAL 40 10.479 2.424 -3.900 265 HA VAL 40 HA VAL 40 8.391 1.557 -2.262 266 HB VAL 40 HB VAL 40 8.218 3.028 -4.895 267 HG11 VAL 40 1HG1 VAL 40 6.018 3.744 -4.188 268 HG12 VAL 40 2HG1 VAL 40 6.086 1.981 -4.228 269 HG13 VAL 40 3HG1 VAL 40 6.174 2.833 -2.686 270 HG21 VAL 40 3HG2 VAL 40 9.090 4.748 -3.791 271 HG22 VAL 40 1HG2 VAL 40 7.701 4.715 -2.704 272 HG23 VAL 40 2HG2 VAL 40 9.157 3.804 -2.303 273 HA PRO 41 HA PRO 41 7.315 -2.219 -4.374 274 HB2 PRO 41 1HB PRO 41 5.242 -2.860 -2.742 275 HB3 PRO 41 2HB PRO 41 6.933 -3.097 -2.285 276 HG2 PRO 41 1HG PRO 41 5.065 -0.876 -1.550 277 HG3 PRO 41 2HG PRO 41 6.223 -1.748 -0.529 278 HD2 PRO 41 1HD PRO 41 6.744 0.702 -1.556 279 HD3 PRO 41 2HD PRO 41 8.014 -0.508 -1.283 280 H ARG 42 H ARG 42 5.647 -2.951 -5.717 281 HA ARG 42 HA ARG 42 4.012 -0.900 -6.853 282 HB2 ARG 42 1HB ARG 42 4.468 -3.806 -7.405 283 HB3 ARG 42 2HB ARG 42 3.089 -2.996 -8.137 284 HG2 ARG 42 1HG ARG 42 4.848 -2.926 -9.713 285 HG3 ARG 42 2HG ARG 42 4.696 -1.298 -9.048 286 HD2 ARG 42 1HD ARG 42 6.581 -1.690 -7.578 287 HD3 ARG 42 2HD ARG 42 6.696 -3.361 -8.131 288 HE ARG 42 HE ARG 42 6.977 -1.990 -10.420 289 HH11 ARG 42 2HH1 ARG 42 8.496 -1.663 -7.304 290 HH12 ARG 42 1HH1 ARG 42 9.983 -1.048 -7.948 291 HH21 ARG 42 2HH2 ARG 42 8.929 -1.182 -11.280 292 HH22 ARG 42 1HH2 ARG 42 10.228 -0.775 -10.210 293 H ILE 43 H ILE 43 2.026 -0.327 -6.279 294 HA ILE 43 HA ILE 43 0.568 -1.988 -4.370 295 HB ILE 43 HB ILE 43 -0.139 0.788 -5.319 296 HG12 ILE 43 1HG1 ILE 43 2.035 0.930 -4.306 297 HG13 ILE 43 2HG1 ILE 43 0.861 1.520 -3.134 298 HG21 ILE 43 1HG2 ILE 43 -0.920 -0.162 -2.647 299 HG22 ILE 43 2HG2 ILE 43 -1.830 0.772 -3.834 300 HG23 ILE 43 3HG2 ILE 43 -1.701 -0.979 -4.001 301 HD11 ILE 43 3HD1 ILE 43 0.977 -1.073 -2.429 302 HD12 ILE 43 1HD1 ILE 43 2.614 -0.834 -3.040 303 HD13 ILE 43 2HD1 ILE 43 2.000 0.186 -1.738 304 H THR 44 H THR 44 -0.675 -3.495 -5.282 305 HA THR 44 HA THR 44 -2.463 -2.665 -7.470 306 HB THR 44 HB THR 44 -1.169 -5.387 -7.215 307 HG1 THR 44 HG1 THR 44 -0.227 -4.573 -9.311 308 HG21 THR 44 3HG2 THR 44 -2.412 -4.594 -9.747 309 HG22 THR 44 1HG2 THR 44 -3.549 -4.764 -8.410 310 HG23 THR 44 2HG2 THR 44 -2.512 -6.117 -8.864 311 H TRP 45 H TRP 45 -4.537 -2.881 -6.970 312 HA TRP 45 HA TRP 45 -5.275 -4.549 -4.680 313 HB2 TRP 45 1HB TRP 45 -6.901 -2.470 -6.161 314 HB3 TRP 45 2HB TRP 45 -7.384 -3.302 -4.686 315 HD1 TRP 45 HD1 TRP 45 -4.616 -0.864 -5.881 316 HE1 TRP 45 HE1 TRP 45 -3.954 0.622 -3.887 317 HE3 TRP 45 HE3 TRP 45 -7.516 -3.020 -2.266 318 HZ2 TRP 45 HZ2 TRP 45 -4.579 0.851 -1.144 319 HZ3 TRP 45 HZ3 TRP 45 -7.426 -2.108 0.018 320 HH2 TRP 45 HH2 TRP 45 -5.987 -0.213 0.565 321 H LEU 46 H LEU 46 -6.578 -6.295 -4.833 322 HA LEU 46 HA LEU 46 -7.680 -6.941 -7.488 323 HB2 LEU 46 1HB LEU 46 -6.472 -8.863 -5.504 324 HB3 LEU 46 2HB LEU 46 -7.206 -9.299 -7.045 325 HG LEU 46 HG LEU 46 -4.891 -7.421 -7.045 326 HD11 LEU 46 1HD1 LEU 46 -4.368 -10.353 -7.114 327 HD12 LEU 46 2HD1 LEU 46 -4.507 -9.542 -5.554 328 HD13 LEU 46 3HD1 LEU 46 -3.284 -9.020 -6.713 329 HD21 LEU 46 3HD2 LEU 46 -4.769 -7.948 -9.228 330 HD22 LEU 46 1HD2 LEU 46 -6.435 -8.479 -9.001 331 HD23 LEU 46 2HD2 LEU 46 -5.121 -9.653 -8.944 332 H LEU 47 H LEU 47 -9.748 -7.640 -7.558 333 HA LEU 47 HA LEU 47 -11.135 -7.973 -4.980 334 HB2 LEU 47 1HB LEU 47 -11.750 -5.956 -6.315 335 HB3 LEU 47 2HB LEU 47 -12.325 -7.035 -7.584 336 HG LEU 47 HG LEU 47 -13.804 -7.974 -5.586 337 HD11 LEU 47 1HD1 LEU 47 -12.592 -6.114 -4.155 338 HD12 LEU 47 2HD1 LEU 47 -14.286 -6.528 -3.892 339 HD13 LEU 47 3HD1 LEU 47 -13.864 -5.101 -4.838 340 HD21 LEU 47 3HD2 LEU 47 -15.606 -6.543 -6.368 341 HD22 LEU 47 1HD2 LEU 47 -14.615 -7.085 -7.723 342 HD23 LEU 47 2HD2 LEU 47 -14.437 -5.444 -7.101 343 H ASN 48 H ASN 48 -12.050 -9.880 -4.599 344 HA ASN 48 HA ASN 48 -12.580 -12.086 -4.889 345 HB2 ASN 48 1HB ASN 48 -14.339 -12.479 -6.566 346 HB3 ASN 48 2HB ASN 48 -14.639 -11.003 -5.652 347 HD21 ASN 48 1HD2 ASN 48 -15.166 -9.286 -6.784 348 HD22 ASN 48 2HD2 ASN 48 -14.822 -9.025 -8.458 349 H GLY 49 H GLY 49 -10.065 -11.244 -6.099 350 HA2 GLY 49 1HA GLY 49 -8.414 -12.431 -7.218 351 HA3 GLY 49 2HA GLY 49 -9.637 -13.579 -7.742 352 H GLN 50 H GLN 50 -9.590 -10.074 -8.229 353 HA GLN 50 HA GLN 50 -8.981 -10.433 -11.055 354 HB2 GLN 50 1HB GLN 50 -11.545 -9.174 -10.069 355 HB3 GLN 50 2HB GLN 50 -10.964 -9.083 -11.726 356 HG2 GLN 50 1HG GLN 50 -11.295 -11.758 -10.470 357 HG3 GLN 50 2HG GLN 50 -12.728 -10.877 -10.997 358 HE21 GLN 50 1HE2 GLN 50 -12.846 -10.241 -13.230 359 HE22 GLN 50 2HE2 GLN 50 -12.047 -11.185 -14.435 360 HA PRO 51 HA PRO 51 -6.749 -6.721 -10.129 361 HB2 PRO 51 1HB PRO 51 -5.915 -6.204 -12.660 362 HB3 PRO 51 2HB PRO 51 -5.199 -7.467 -11.652 363 HG2 PRO 51 1HG PRO 51 -7.251 -7.708 -13.818 364 HG3 PRO 51 2HG PRO 51 -5.841 -8.733 -13.494 365 HD2 PRO 51 1HD PRO 51 -8.350 -9.431 -12.753 366 HD3 PRO 51 2HD PRO 51 -6.915 -9.897 -11.819 367 H ILE 52 H ILE 52 -7.860 -4.925 -9.671 368 HA ILE 52 HA ILE 52 -10.061 -3.978 -11.178 369 HB ILE 52 HB ILE 52 -8.424 -2.401 -9.193 370 HG12 ILE 52 1HG1 ILE 52 -10.821 -4.178 -8.687 371 HG13 ILE 52 2HG1 ILE 52 -9.159 -4.578 -8.264 372 HG21 ILE 52 1HG2 ILE 52 -10.007 -1.112 -10.580 373 HG22 ILE 52 2HG2 ILE 52 -11.316 -2.142 -10.002 374 HG23 ILE 52 3HG2 ILE 52 -10.441 -1.110 -8.871 375 HD11 ILE 52 3HD1 ILE 52 -10.431 -3.784 -6.342 376 HD12 ILE 52 1HD1 ILE 52 -9.085 -2.709 -6.720 377 HD13 ILE 52 2HD1 ILE 52 -10.730 -2.257 -7.171 378 H GLN 53 H GLN 53 -10.228 -2.425 -12.716 379 HA GLN 53 HA GLN 53 -7.719 -1.472 -13.885 380 HB2 GLN 53 1HB GLN 53 -10.507 -1.362 -15.044 381 HB3 GLN 53 2HB GLN 53 -9.004 -1.021 -15.891 382 HG2 GLN 53 1HG GLN 53 -8.366 -3.438 -15.296 383 HG3 GLN 53 2HG GLN 53 -10.084 -3.651 -14.963 384 HE21 GLN 53 1HE2 GLN 53 -11.456 -2.561 -16.813 385 HE22 GLN 53 2HE2 GLN 53 -11.010 -3.063 -18.405 386 H TYR 54 H TYR 54 -10.770 -0.322 -12.565 387 HA TYR 54 HA TYR 54 -9.940 2.455 -12.965 388 HB2 TYR 54 1HB TYR 54 -12.215 3.049 -12.332 389 HB3 TYR 54 2HB TYR 54 -12.244 1.823 -13.595 390 HD1 TYR 54 HD2 TYR 54 -12.688 -0.580 -12.932 391 HD2 TYR 54 HD1 TYR 54 -13.280 2.681 -10.265 392 HE1 TYR 54 HE2 TYR 54 -14.132 -1.995 -11.532 393 HE2 TYR 54 HE1 TYR 54 -14.725 1.275 -8.856 394 HH TYR 54 HH TYR 54 -14.777 -1.799 -8.770 395 H ALA 55 H ALA 55 -8.400 1.040 -11.140 396 HA ALA 55 HA ALA 55 -9.358 1.787 -8.485 397 HB1 ALA 55 3HB ALA 55 -7.353 0.580 -7.680 398 HB2 ALA 55 1HB ALA 55 -8.410 -0.418 -8.679 399 HB3 ALA 55 2HB ALA 55 -6.921 0.242 -9.356 400 H ARG 56 H ARG 56 -9.171 3.993 -8.365 401 HA ARG 56 HA ARG 56 -6.663 5.270 -9.096 402 HB2 ARG 56 1HB ARG 56 -9.371 6.255 -8.267 403 HB3 ARG 56 2HB ARG 56 -7.983 7.332 -8.189 404 HG2 ARG 56 1HG ARG 56 -7.573 6.959 -10.579 405 HG3 ARG 56 2HG ARG 56 -8.994 5.914 -10.645 406 HD2 ARG 56 1HD ARG 56 -9.059 8.799 -9.775 407 HD3 ARG 56 2HD ARG 56 -9.380 8.261 -11.423 408 HE ARG 56 HE ARG 56 -11.080 6.798 -9.847 409 HH11 ARG 56 2HH1 ARG 56 -10.488 10.182 -10.414 410 HH12 ARG 56 1HH1 ARG 56 -12.123 10.655 -10.095 411 HH21 ARG 56 2HH2 ARG 56 -13.237 7.410 -9.423 412 HH22 ARG 56 1HH2 ARG 56 -13.686 9.078 -9.530 413 H SER 57 H SER 57 -5.414 4.134 -7.457 414 HA SER 57 HA SER 57 -5.923 4.896 -4.689 415 HB2 SER 57 1HB SER 57 -5.285 2.685 -4.661 416 HB3 SER 57 2HB SER 57 -4.215 2.864 -6.051 417 HG SER 57 HG SER 57 -3.550 2.853 -3.505 418 H THR 58 H THR 58 -4.077 5.661 -3.362 419 HA THR 58 HA THR 58 -2.054 7.176 -4.824 420 HB THR 58 HB THR 58 -2.524 9.200 -3.387 421 HG1 THR 58 HG1 THR 58 -3.961 8.808 -1.875 422 HG21 THR 58 3HG2 THR 58 -4.603 8.318 -5.390 423 HG22 THR 58 1HG2 THR 58 -3.130 9.230 -5.718 424 HG23 THR 58 2HG2 THR 58 -4.436 9.968 -4.790 425 H CYS 59 H CYS 59 -0.160 6.749 -3.919 426 HA CYS 59 HA CYS 59 -0.081 5.928 -1.105 427 HB2 CYS 59 1HB CYS 59 2.178 5.048 -1.656 428 HB3 CYS 59 2HB CYS 59 0.903 4.329 -2.632 429 HG CYS 59 HG CYS 59 1.610 5.336 -4.974 430 H GLU 60 H GLU 60 0.471 7.412 0.335 431 HA GLU 60 HA GLU 60 2.496 9.412 -0.408 432 HB2 GLU 60 1HB GLU 60 -0.224 9.831 0.721 433 HB3 GLU 60 2HB GLU 60 1.070 10.850 1.336 434 HG2 GLU 60 1HG GLU 60 1.492 11.776 -0.783 435 HG3 GLU 60 2HG GLU 60 0.538 10.539 -1.600 436 H ALA 61 H ALA 61 4.183 9.395 0.913 437 HA ALA 61 HA ALA 61 5.541 8.879 2.672 438 HB1 ALA 61 3HB ALA 61 4.208 9.269 4.960 439 HB2 ALA 61 1HB ALA 61 4.801 10.590 3.953 440 HB3 ALA 61 2HB ALA 61 3.114 10.087 3.845 441 H GLY 62 H GLY 62 4.374 6.631 1.516 442 HA2 GLY 62 1HA GLY 62 4.262 4.372 1.950 443 HA3 GLY 62 2HA GLY 62 4.710 4.728 3.612 444 H VAL 63 H VAL 63 1.920 6.152 2.054 445 HA VAL 63 HA VAL 63 0.181 4.457 3.726 446 HB VAL 63 HB VAL 63 -0.206 7.386 3.092 447 HG11 VAL 63 1HG1 VAL 63 -2.277 7.306 4.024 448 HG12 VAL 63 2HG1 VAL 63 -2.208 5.657 3.401 449 HG13 VAL 63 3HG1 VAL 63 -1.863 5.973 5.101 450 HG21 VAL 63 3HG2 VAL 63 0.147 6.237 5.833 451 HG22 VAL 63 1HG2 VAL 63 1.551 6.623 4.838 452 HG23 VAL 63 2HG2 VAL 63 0.403 7.889 5.273 453 H ALA 64 H ALA 64 -0.374 3.045 2.083 454 HA ALA 64 HA ALA 64 -1.237 3.925 -0.492 455 HB1 ALA 64 3HB ALA 64 -0.380 1.550 0.488 456 HB2 ALA 64 1HB ALA 64 -2.119 1.267 0.399 457 HB3 ALA 64 2HB ALA 64 -1.227 1.746 -1.046 458 H GLU 65 H GLU 65 -3.234 4.386 -1.228 459 HA GLU 65 HA GLU 65 -5.548 3.801 0.472 460 HB2 GLU 65 1HB GLU 65 -5.156 6.513 -0.789 461 HB3 GLU 65 2HB GLU 65 -6.398 6.027 0.356 462 HG2 GLU 65 1HG GLU 65 -4.466 5.600 1.979 463 HG3 GLU 65 2HG GLU 65 -3.491 6.540 0.851 464 H LEU 66 H LEU 66 -7.524 3.643 -0.631 465 HA LEU 66 HA LEU 66 -7.388 3.764 -3.563 466 HB2 LEU 66 1HB LEU 66 -7.071 1.454 -2.990 467 HB3 LEU 66 2HB LEU 66 -8.449 1.493 -1.892 468 HG LEU 66 HG LEU 66 -9.832 2.016 -4.011 469 HD11 LEU 66 1HD1 LEU 66 -8.288 2.450 -5.674 470 HD12 LEU 66 2HD1 LEU 66 -8.713 0.767 -5.988 471 HD13 LEU 66 3HD1 LEU 66 -7.208 1.155 -5.155 472 HD21 LEU 66 3HD2 LEU 66 -9.442 -0.610 -4.590 473 HD22 LEU 66 1HD2 LEU 66 -10.439 -0.011 -3.265 474 HD23 LEU 66 2HD2 LEU 66 -8.775 -0.511 -2.960 475 H HIS 67 H HIS 67 -8.670 5.537 -3.794 476 HA HIS 67 HA HIS 67 -11.040 5.990 -2.293 477 HB2 HIS 67 1HB HIS 67 -9.961 7.208 -4.834 478 HB3 HIS 67 2HB HIS 67 -11.480 7.725 -4.106 479 HD1 HIS 67 HD1 HIS 67 -11.351 9.257 -2.091 480 HD2 HIS 67 HD2 HIS 67 -7.638 7.843 -3.306 481 HE1 HIS 67 HE1 HIS 67 -9.664 10.594 -0.790 482 HE2 HIS 67 HE2 HIS 67 -7.424 9.780 -1.605 483 H ILE 68 H ILE 68 -12.894 4.937 -2.482 484 HA ILE 68 HA ILE 68 -13.693 3.956 -5.144 485 HB ILE 68 HB ILE 68 -14.187 2.571 -2.505 486 HG12 ILE 68 1HG1 ILE 68 -11.850 2.407 -3.356 487 HG13 ILE 68 2HG1 ILE 68 -12.680 0.856 -3.303 488 HG21 ILE 68 1HG2 ILE 68 -15.856 2.496 -4.586 489 HG22 ILE 68 2HG2 ILE 68 -14.722 1.246 -5.096 490 HG23 ILE 68 3HG2 ILE 68 -15.560 1.100 -3.551 491 HD11 ILE 68 3HD1 ILE 68 -12.997 2.172 -5.861 492 HD12 ILE 68 1HD1 ILE 68 -11.304 1.914 -5.442 493 HD13 ILE 68 2HD1 ILE 68 -12.421 0.549 -5.484 494 H GLN 69 H GLN 69 -15.250 5.336 -5.747 495 HA GLN 69 HA GLN 69 -17.216 6.248 -3.788 496 HB2 GLN 69 1HB GLN 69 -17.956 7.780 -5.594 497 HB3 GLN 69 2HB GLN 69 -16.258 7.973 -5.181 498 HG2 GLN 69 1HG GLN 69 -15.531 7.033 -7.161 499 HG3 GLN 69 2HG GLN 69 -17.056 6.195 -7.441 500 HE21 GLN 69 1HE2 GLN 69 -15.782 7.706 -9.389 501 HE22 GLN 69 2HE2 GLN 69 -16.755 9.087 -9.750 502 H ASP 70 H ASP 70 -19.518 6.285 -4.435 503 HA ASP 70 HA ASP 70 -21.428 5.148 -4.929 504 HB2 ASP 70 1HB ASP 70 -20.580 5.846 -7.237 505 HB3 ASP 70 2HB ASP 70 -20.012 4.188 -7.412 506 H ALA 71 H ALA 71 -20.055 3.798 -3.110 507 HA ALA 71 HA ALA 71 -19.162 1.229 -3.673 508 HB1 ALA 71 3HB ALA 71 -18.730 1.426 -1.503 509 HB2 ALA 71 1HB ALA 71 -19.907 2.729 -1.329 510 HB3 ALA 71 2HB ALA 71 -20.424 1.048 -1.191 511 H LEU 72 H LEU 72 -20.380 0.072 -5.112 512 HA LEU 72 HA LEU 72 -23.226 -0.274 -4.689 513 HB2 LEU 72 1HB LEU 72 -21.281 -1.210 -6.770 514 HB3 LEU 72 2HB LEU 72 -22.914 -1.867 -6.686 515 HG LEU 72 HG LEU 72 -22.341 1.073 -6.997 516 HD11 LEU 72 1HD1 LEU 72 -22.652 -1.074 -9.073 517 HD12 LEU 72 2HD1 LEU 72 -21.384 0.143 -8.927 518 HD13 LEU 72 3HD1 LEU 72 -23.012 0.620 -9.408 519 HD21 LEU 72 3HD2 LEU 72 -24.577 0.254 -6.131 520 HD22 LEU 72 1HD2 LEU 72 -24.813 -0.480 -7.718 521 HD23 LEU 72 2HD2 LEU 72 -24.620 1.268 -7.575 522 HA PRO 73 HA PRO 73 -23.117 -4.052 -2.460 523 HB2 PRO 73 1HB PRO 73 -25.253 -5.366 -3.500 524 HB3 PRO 73 2HB PRO 73 -25.413 -3.971 -2.426 525 HG2 PRO 73 1HG PRO 73 -25.593 -4.094 -5.411 526 HG3 PRO 73 2HG PRO 73 -26.614 -3.207 -4.265 527 HD2 PRO 73 1HD PRO 73 -24.635 -2.015 -5.676 528 HD3 PRO 73 2HD PRO 73 -25.092 -1.490 -4.043 529 H GLU 74 H GLU 74 -22.569 -3.966 -5.799 530 HA GLU 74 HA GLU 74 -22.077 -6.842 -5.999 531 HB2 GLU 74 1HB GLU 74 -21.788 -6.456 -8.383 532 HB3 GLU 74 2HB GLU 74 -23.297 -5.741 -7.833 533 HG2 GLU 74 1HG GLU 74 -22.334 -3.545 -7.863 534 HG3 GLU 74 2HG GLU 74 -20.742 -4.205 -8.231 535 H ASP 75 H ASP 75 -20.423 -3.852 -5.594 536 HA ASP 75 HA ASP 75 -17.873 -4.696 -6.558 537 HB2 ASP 75 1HB ASP 75 -18.888 -2.372 -4.971 538 HB3 ASP 75 2HB ASP 75 -17.155 -2.687 -5.008 539 H HIS 76 H HIS 76 -19.507 -4.781 -3.455 540 HA HIS 76 HA HIS 76 -17.499 -5.220 -1.671 541 HB2 HIS 76 1HB HIS 76 -19.081 -6.114 -0.256 542 HB3 HIS 76 2HB HIS 76 -20.127 -5.323 -1.432 543 HD1 HIS 76 HD1 HIS 76 -20.479 -7.248 -3.618 544 HD2 HIS 76 HD2 HIS 76 -20.173 -8.503 0.331 545 HE1 HIS 76 HE1 HIS 76 -21.548 -9.524 -3.550 546 HE2 HIS 76 HE2 HIS 76 -21.427 -10.226 -1.135 547 H GLY 77 H GLY 77 -16.104 -6.826 -1.130 548 HA2 GLY 77 1HA GLY 77 -16.325 -9.527 -1.842 549 HA3 GLY 77 2HA GLY 77 -15.370 -8.722 -3.078 550 H THR 78 H THR 78 -13.288 -9.104 -2.767 551 HA THR 78 HA THR 78 -12.198 -8.783 -0.056 552 HB THR 78 HB THR 78 -11.422 -10.998 -1.965 553 HG1 THR 78 HG1 THR 78 -12.229 -12.199 0.041 554 HG21 THR 78 3HG2 THR 78 -10.292 -10.013 0.618 555 HG22 THR 78 1HG2 THR 78 -9.459 -10.587 -0.826 556 HG23 THR 78 2HG2 THR 78 -10.237 -11.739 0.259 557 H TYR 79 H TYR 79 -11.145 -6.890 -0.358 558 HA TYR 79 HA TYR 79 -9.645 -6.359 -2.764 559 HB2 TYR 79 1HB TYR 79 -10.100 -4.828 -0.210 560 HB3 TYR 79 2HB TYR 79 -8.970 -4.269 -1.437 561 HD1 TYR 79 HD2 TYR 79 -12.504 -4.835 -0.636 562 HD2 TYR 79 HD1 TYR 79 -9.758 -3.397 -3.552 563 HE1 TYR 79 HE2 TYR 79 -14.358 -3.766 -1.847 564 HE2 TYR 79 HE1 TYR 79 -11.605 -2.324 -4.771 565 HH TYR 79 HH TYR 79 -14.721 -1.958 -3.434 566 H THR 80 H THR 80 -7.764 -7.353 -3.062 567 HA THR 80 HA THR 80 -5.999 -7.786 -0.750 568 HB THR 80 HB THR 80 -6.009 -9.122 -3.462 569 HG1 THR 80 HG1 THR 80 -7.010 -10.726 -2.455 570 HG21 THR 80 3HG2 THR 80 -3.882 -9.672 -3.095 571 HG22 THR 80 1HG2 THR 80 -4.386 -10.524 -1.636 572 HG23 THR 80 2HG2 THR 80 -3.896 -8.832 -1.544 573 H CYS 81 H CYS 81 -4.490 -6.278 -0.512 574 HA CYS 81 HA CYS 81 -3.509 -4.821 -2.844 575 HB2 CYS 81 1HB CYS 81 -4.221 -3.529 -0.872 576 HB3 CYS 81 2HB CYS 81 -3.010 -4.353 0.103 577 HG CYS 81 HG CYS 81 -2.264 -2.348 -2.568 578 H LEU 82 H LEU 82 -1.955 -5.924 -3.883 579 HA LEU 82 HA LEU 82 0.047 -7.410 -2.384 580 HB2 LEU 82 1HB LEU 82 -0.749 -8.571 -4.264 581 HB3 LEU 82 2HB LEU 82 -0.619 -7.150 -5.298 582 HG LEU 82 HG LEU 82 1.823 -7.333 -5.240 583 HD11 LEU 82 1HD1 LEU 82 2.112 -9.979 -4.245 584 HD12 LEU 82 2HD1 LEU 82 1.308 -9.004 -3.016 585 HD13 LEU 82 3HD1 LEU 82 2.864 -8.492 -3.668 586 HD21 LEU 82 3HD2 LEU 82 0.833 -8.397 -7.086 587 HD22 LEU 82 1HD2 LEU 82 0.240 -9.736 -6.103 588 HD23 LEU 82 2HD2 LEU 82 1.966 -9.580 -6.430 589 H ALA 83 H ALA 83 1.984 -6.633 -1.881 590 HA ALA 83 HA ALA 83 3.050 -4.371 -3.436 591 HB1 ALA 83 3HB ALA 83 2.157 -4.223 -0.802 592 HB2 ALA 83 1HB ALA 83 3.916 -4.287 -0.686 593 HB3 ALA 83 2HB ALA 83 3.141 -3.038 -1.660 594 H GLU 84 H GLU 84 4.656 -5.345 -4.539 595 HA GLU 84 HA GLU 84 6.689 -6.775 -2.961 596 HB2 GLU 84 1HB GLU 84 7.028 -8.355 -4.711 597 HB3 GLU 84 2HB GLU 84 5.298 -8.294 -4.408 598 HG2 GLU 84 1HG GLU 84 4.969 -6.901 -6.354 599 HG3 GLU 84 2HG GLU 84 6.708 -6.843 -6.636 600 H ASN 85 H ASN 85 8.797 -6.283 -3.375 601 HA ASN 85 HA ASN 85 9.335 -4.353 -5.530 602 HB2 ASN 85 1HB ASN 85 10.751 -3.053 -4.097 603 HB3 ASN 85 2HB ASN 85 9.212 -3.262 -3.266 604 HD21 ASN 85 1HD2 ASN 85 10.675 -2.623 -1.454 605 HD22 ASN 85 2HD2 ASN 85 11.479 -3.893 -0.602 606 H ALA 86 H ALA 86 11.964 -4.070 -5.453 607 HA ALA 86 HA ALA 86 12.957 -6.481 -6.526 608 HB1 ALA 86 3HB ALA 86 14.843 -5.303 -7.069 609 HB2 ALA 86 1HB ALA 86 13.698 -3.979 -6.855 610 HB3 ALA 86 2HB ALA 86 14.835 -4.380 -5.566 611 H LEU 87 H LEU 87 12.772 -5.317 -3.310 612 HA LEU 87 HA LEU 87 14.933 -6.964 -2.310 613 HB2 LEU 87 1HB LEU 87 13.040 -4.985 -1.174 614 HB3 LEU 87 2HB LEU 87 13.691 -6.203 -0.078 615 HG LEU 87 HG LEU 87 14.868 -3.920 -0.237 616 HD11 LEU 87 1HD1 LEU 87 16.101 -5.313 1.033 617 HD12 LEU 87 2HD1 LEU 87 17.155 -5.328 -0.380 618 HD13 LEU 87 3HD1 LEU 87 16.001 -6.637 -0.127 619 HD21 LEU 87 3HD2 LEU 87 16.011 -3.341 -2.080 620 HD22 LEU 87 1HD2 LEU 87 14.915 -4.453 -2.899 621 HD23 LEU 87 2HD2 LEU 87 16.520 -4.998 -2.410 622 H GLY 88 H GLY 88 11.568 -6.754 -1.168 623 HA2 GLY 88 1HA GLY 88 11.487 -9.708 -1.193 624 HA3 GLY 88 2HA GLY 88 10.893 -8.775 0.172 625 H GLN 89 H GLN 89 8.859 -9.850 -0.121 626 HA GLN 89 HA GLN 89 7.081 -8.350 -1.802 627 HB2 GLN 89 1HB GLN 89 6.254 -10.141 -3.157 628 HB3 GLN 89 2HB GLN 89 8.000 -10.084 -3.358 629 HG2 GLN 89 1HG GLN 89 8.306 -11.986 -1.971 630 HG3 GLN 89 2HG GLN 89 6.618 -11.961 -1.463 631 HE21 GLN 89 1HE2 GLN 89 5.268 -11.671 -3.769 632 HE22 GLN 89 2HE2 GLN 89 5.547 -13.018 -4.814 633 H VAL 90 H VAL 90 5.085 -8.263 -0.933 634 HA VAL 90 HA VAL 90 4.237 -10.336 0.944 635 HB VAL 90 HB VAL 90 3.684 -8.817 2.702 636 HG11 VAL 90 1HG1 VAL 90 6.461 -8.115 1.761 637 HG12 VAL 90 2HG1 VAL 90 5.860 -8.083 3.420 638 HG13 VAL 90 3HG1 VAL 90 6.029 -9.620 2.571 639 HG21 VAL 90 3HG2 VAL 90 2.975 -6.916 1.370 640 HG22 VAL 90 1HG2 VAL 90 4.170 -6.408 2.564 641 HG23 VAL 90 2HG2 VAL 90 4.641 -6.612 0.876 642 H SER 91 H SER 91 1.969 -10.342 1.368 643 HA SER 91 HA SER 91 0.322 -8.584 -0.290 644 HB2 SER 91 1HB SER 91 -0.938 -10.455 -1.226 645 HB3 SER 91 2HB SER 91 0.768 -10.609 -1.646 646 HG SER 91 HG SER 91 0.638 -11.902 0.539 647 H CYS 92 H CYS 92 -1.757 -8.261 0.474 648 HA CYS 92 HA CYS 92 -2.551 -9.685 2.907 649 HB2 CYS 92 1HB CYS 92 -3.068 -7.650 4.088 650 HB3 CYS 92 2HB CYS 92 -1.393 -7.567 3.555 651 HG CYS 92 HG CYS 92 -2.452 -5.024 3.292 652 H SER 93 H SER 93 -4.800 -9.645 3.344 653 HA SER 93 HA SER 93 -6.478 -8.656 1.138 654 HB2 SER 93 1HB SER 93 -7.739 -10.674 1.075 655 HB3 SER 93 2HB SER 93 -6.045 -11.165 1.060 656 HG SER 93 HG SER 93 -6.574 -12.322 2.726 657 H ALA 94 H ALA 94 -8.730 -8.318 1.713 658 HA ALA 94 HA ALA 94 -9.349 -8.187 4.556 659 HB1 ALA 94 3HB ALA 94 -8.244 -5.992 3.623 660 HB2 ALA 94 1HB ALA 94 -9.870 -5.700 3.005 661 HB3 ALA 94 2HB ALA 94 -9.610 -5.919 4.736 662 H TRP 95 H TRP 95 -11.582 -7.996 5.007 663 HA TRP 95 HA TRP 95 -13.297 -8.636 2.701 664 HB2 TRP 95 1HB TRP 95 -13.164 -10.450 4.324 665 HB3 TRP 95 2HB TRP 95 -13.631 -9.354 5.621 666 HD1 TRP 95 HD1 TRP 95 -16.213 -8.554 5.678 667 HE1 TRP 95 HE1 TRP 95 -18.340 -9.639 4.716 668 HE3 TRP 95 HE3 TRP 95 -14.045 -11.821 2.396 669 HZ2 TRP 95 HZ2 TRP 95 -19.010 -11.618 2.818 670 HZ3 TRP 95 HZ3 TRP 95 -15.500 -13.275 1.045 671 HH2 TRP 95 HH2 TRP 95 -17.930 -13.174 1.254 672 H VAL 96 H VAL 96 -14.352 -6.873 2.051 673 HA VAL 96 HA VAL 96 -15.280 -4.933 4.043 674 HB VAL 96 HB VAL 96 -15.101 -4.729 1.035 675 HG11 VAL 96 1HG1 VAL 96 -16.976 -3.430 1.694 676 HG12 VAL 96 2HG1 VAL 96 -16.116 -2.776 3.090 677 HG13 VAL 96 3HG1 VAL 96 -15.638 -2.307 1.458 678 HG21 VAL 96 3HG2 VAL 96 -13.530 -2.772 1.960 679 HG22 VAL 96 1HG2 VAL 96 -13.357 -3.925 3.284 680 HG23 VAL 96 2HG2 VAL 96 -12.939 -4.402 1.638 681 H THR 97 H THR 97 -17.433 -4.216 4.100 682 HA THR 97 HA THR 97 -19.375 -5.944 2.712 683 HB THR 97 HB THR 97 -19.770 -4.888 5.512 684 HG1 THR 97 HG1 THR 97 -19.371 -7.183 6.048 685 HG21 THR 97 3HG2 THR 97 -21.831 -5.393 4.359 686 HG22 THR 97 1HG2 THR 97 -21.528 -6.643 5.565 687 HG23 THR 97 2HG2 THR 97 -21.209 -6.966 3.861 688 H VAL 98 H VAL 98 -21.145 -4.961 1.855 689 HA VAL 98 HA VAL 98 -21.335 -2.039 2.205 690 HB VAL 98 HB VAL 98 -22.144 -3.601 -0.250 691 HG11 VAL 98 1HG1 VAL 98 -22.767 -0.993 0.638 692 HG12 VAL 98 2HG1 VAL 98 -21.637 -0.832 -0.708 693 HG13 VAL 98 3HG1 VAL 98 -23.139 -1.733 -0.918 694 HG21 VAL 98 3HG2 VAL 98 -19.693 -3.638 0.151 695 HG22 VAL 98 1HG2 VAL 98 -20.151 -2.776 -1.317 696 HG23 VAL 98 2HG2 VAL 98 -19.699 -1.875 0.130 697 H HIS 99 H HIS 99 -23.096 -1.432 3.261 698 HA HIS 99 HA HIS 99 -25.209 -3.097 3.981 699 HB2 HIS 99 1HB HIS 99 -25.135 -0.080 3.779 700 HB3 HIS 99 2HB HIS 99 -26.403 -0.995 4.589 701 HD1 HIS 99 HD1 HIS 99 -25.234 -2.753 6.497 702 HD2 HIS 99 HD2 HIS 99 -23.305 0.801 5.544 703 HE1 HIS 99 HE1 HIS 99 -23.685 -2.291 8.424 704 HE2 HIS 99 HE2 HIS 99 -22.591 -0.093 7.864 Start of MODEL 14 1 H1 GLY 1 H GLY 1 38.075 4.534 5.003 2 HA2 GLY 1 1HA GLY 1 36.197 6.575 5.664 3 HA3 GLY 1 2HA GLY 1 37.349 7.144 4.465 4 H SER 2 H SER 2 35.861 3.947 4.890 5 HA SER 2 HA SER 2 35.386 3.644 2.112 6 HB2 SER 2 1HB SER 2 34.155 1.604 2.760 7 HB3 SER 2 2HB SER 2 35.711 1.711 3.582 8 HG SER 2 HG SER 2 34.712 1.830 5.428 9 H SER 3 H SER 3 34.072 5.124 1.187 10 HA SER 3 HA SER 3 31.969 6.517 2.135 11 HB2 SER 3 1HB SER 3 32.962 6.439 -0.260 12 HB3 SER 3 2HB SER 3 31.717 5.230 -0.572 13 HG SER 3 HG SER 3 30.941 7.609 0.661 14 H GLY 4 H GLY 4 30.478 5.721 3.500 15 HA2 GLY 4 1HA GLY 4 28.531 3.852 2.440 16 HA3 GLY 4 2HA GLY 4 29.441 3.260 3.822 17 H SER 5 H SER 5 28.288 3.408 5.616 18 HA SER 5 HA SER 5 26.628 4.076 7.060 19 HB2 SER 5 1HB SER 5 27.014 6.379 7.920 20 HB3 SER 5 2HB SER 5 28.503 5.444 7.783 21 HG SER 5 HG SER 5 28.746 7.551 6.936 22 H SER 6 H SER 6 25.616 3.936 4.473 23 HA SER 6 HA SER 6 23.752 6.220 4.435 24 HB2 SER 6 1HB SER 6 23.617 6.051 2.031 25 HB3 SER 6 2HB SER 6 25.320 6.150 2.478 26 HG SER 6 HG SER 6 24.387 4.397 0.931 27 H GLY 7 H GLY 7 21.576 5.779 3.867 28 HA2 GLY 7 1HA GLY 7 20.546 3.386 4.960 29 HA3 GLY 7 2HA GLY 7 19.628 4.578 4.052 30 H MET 8 H MET 8 20.443 1.427 4.109 31 HA MET 8 HA MET 8 20.756 1.093 1.230 32 HB2 MET 8 1HB MET 8 21.201 -1.215 1.690 33 HB3 MET 8 2HB MET 8 22.104 -0.254 2.853 34 HG2 MET 8 1HG MET 8 20.631 -0.792 4.602 35 HG3 MET 8 2HG MET 8 19.419 -1.424 3.491 36 HE1 MET 8 3HE MET 8 19.537 -4.222 5.082 37 HE2 MET 8 1HE MET 8 18.833 -3.393 3.693 38 HE3 MET 8 2HE MET 8 19.770 -4.868 3.457 39 H GLU 9 H GLU 9 19.380 -0.467 0.078 40 HA GLU 9 HA GLU 9 16.688 0.184 0.199 41 HB2 GLU 9 1HB GLU 9 18.084 -2.210 -0.992 42 HB3 GLU 9 2HB GLU 9 16.363 -1.915 -1.197 43 HG2 GLU 9 1HG GLU 9 16.775 0.117 -2.373 44 HG3 GLU 9 2HG GLU 9 18.497 0.044 -2.001 45 H VAL 10 H VAL 10 14.902 -1.543 0.432 46 HA VAL 10 HA VAL 10 15.368 -3.447 2.576 47 HB VAL 10 HB VAL 10 13.266 -2.469 3.760 48 HG11 VAL 10 1HG1 VAL 10 14.641 -1.496 5.337 49 HG12 VAL 10 2HG1 VAL 10 15.775 -2.525 4.461 50 HG13 VAL 10 3HG1 VAL 10 15.713 -0.794 4.125 51 HG21 VAL 10 3HG2 VAL 10 13.005 -0.765 1.860 52 HG22 VAL 10 1HG2 VAL 10 12.825 -0.186 3.517 53 HG23 VAL 10 2HG2 VAL 10 14.327 0.105 2.639 54 H ALA 11 H ALA 11 13.242 -4.601 3.123 55 HA ALA 11 HA ALA 11 11.933 -5.248 0.590 56 HB1 ALA 11 3HB ALA 11 10.999 -7.028 2.494 57 HB2 ALA 11 1HB ALA 11 12.300 -7.312 1.337 58 HB3 ALA 11 2HB ALA 11 12.675 -6.737 2.962 59 HA PRO 12 HA PRO 12 8.058 -3.450 1.596 60 HB2 PRO 12 1HB PRO 12 6.317 -5.259 0.563 61 HB3 PRO 12 2HB PRO 12 7.304 -4.193 -0.444 62 HG2 PRO 12 1HG PRO 12 7.754 -7.060 0.287 63 HG3 PRO 12 2HG PRO 12 7.956 -6.261 -1.283 64 HD2 PRO 12 1HD PRO 12 10.044 -6.812 0.350 65 HD3 PRO 12 2HD PRO 12 10.016 -5.395 -0.719 66 H SER 13 H SER 13 6.726 -3.360 3.312 67 HA SER 13 HA SER 13 5.847 -5.775 4.654 68 HB2 SER 13 1HB SER 13 6.680 -4.997 6.874 69 HB3 SER 13 2HB SER 13 7.978 -5.419 5.756 70 HG SER 13 HG SER 13 8.686 -3.471 6.019 71 H PHE 14 H PHE 14 3.948 -5.512 5.745 72 HA PHE 14 HA PHE 14 2.652 -2.912 5.434 73 HB2 PHE 14 1HB PHE 14 1.660 -5.712 5.851 74 HB3 PHE 14 2HB PHE 14 0.613 -4.345 6.219 75 HD1 PHE 14 HD2 PHE 14 0.414 -2.554 4.314 76 HD2 PHE 14 HD1 PHE 14 1.645 -6.586 3.727 77 HE1 PHE 14 HE2 PHE 14 -0.215 -2.397 1.941 78 HE2 PHE 14 HE1 PHE 14 1.018 -6.435 1.352 79 HZ PHE 14 HZ PHE 14 0.086 -4.339 0.457 80 H SER 15 H SER 15 3.075 -1.590 7.097 81 HA SER 15 HA SER 15 3.545 -2.481 9.755 82 HB2 SER 15 1HB SER 15 3.678 -0.147 10.337 83 HB3 SER 15 2HB SER 15 4.444 -0.354 8.763 84 HG SER 15 HG SER 15 2.351 1.187 9.428 85 H SER 16 H SER 16 0.752 -1.118 8.083 86 HA SER 16 HA SER 16 -0.923 -1.967 10.343 87 HB2 SER 16 1HB SER 16 -0.797 0.731 9.056 88 HB3 SER 16 2HB SER 16 -2.350 0.143 9.648 89 HG SER 16 HG SER 16 -1.576 0.105 11.685 90 H VAL 17 H VAL 17 -1.311 -3.827 8.991 91 HA VAL 17 HA VAL 17 -2.252 -3.887 6.414 92 HB VAL 17 HB VAL 17 -3.423 -5.976 6.987 93 HG11 VAL 17 1HG1 VAL 17 -1.296 -6.615 6.622 94 HG12 VAL 17 2HG1 VAL 17 -0.633 -5.400 7.717 95 HG13 VAL 17 3HG1 VAL 17 -1.286 -6.908 8.361 96 HG21 VAL 17 3HG2 VAL 17 -3.144 -6.742 9.419 97 HG22 VAL 17 1HG2 VAL 17 -2.916 -5.033 9.790 98 HG23 VAL 17 2HG2 VAL 17 -4.426 -5.585 9.063 99 H LEU 18 H LEU 18 -4.563 -4.513 5.769 100 HA LEU 18 HA LEU 18 -6.275 -2.319 6.475 101 HB2 LEU 18 1HB LEU 18 -6.850 -4.708 4.731 102 HB3 LEU 18 2HB LEU 18 -7.791 -3.219 4.807 103 HG LEU 18 HG LEU 18 -4.922 -3.047 4.025 104 HD11 LEU 18 1HD1 LEU 18 -5.302 -4.647 2.467 105 HD12 LEU 18 2HD1 LEU 18 -6.020 -3.285 1.608 106 HD13 LEU 18 3HD1 LEU 18 -7.050 -4.413 2.488 107 HD21 LEU 18 3HD2 LEU 18 -5.670 -1.165 2.776 108 HD22 LEU 18 1HD2 LEU 18 -6.419 -1.065 4.370 109 HD23 LEU 18 2HD2 LEU 18 -7.361 -1.619 2.985 110 H LYS 19 H LYS 19 -8.576 -2.652 7.050 111 HA LYS 19 HA LYS 19 -8.994 -5.023 8.738 112 HB2 LYS 19 1HB LYS 19 -9.473 -2.137 9.479 113 HB3 LYS 19 2HB LYS 19 -10.190 -3.481 10.359 114 HG2 LYS 19 1HG LYS 19 -8.346 -3.130 11.637 115 HG3 LYS 19 2HG LYS 19 -7.678 -4.283 10.480 116 HD2 LYS 19 1HD LYS 19 -6.614 -2.567 9.244 117 HD3 LYS 19 2HD LYS 19 -7.518 -1.304 10.082 118 HE2 LYS 19 1HE LYS 19 -6.375 -2.008 12.193 119 HE3 LYS 19 2HE LYS 19 -5.371 -3.085 11.224 120 HZ1 LYS 19 3HZ LYS 19 -5.548 -0.196 10.629 121 HZ2 LYS 19 1HZ LYS 19 -4.352 -1.299 10.162 122 HZ3 LYS 19 2HZ LYS 19 -4.453 -0.793 11.773 123 H ASP 20 H ASP 20 -11.313 -5.340 9.309 124 HA ASP 20 HA ASP 20 -12.914 -5.184 6.950 125 HB2 ASP 20 1HB ASP 20 -13.784 -5.988 9.732 126 HB3 ASP 20 2HB ASP 20 -14.585 -6.387 8.215 127 H CYS 21 H CYS 21 -14.652 -3.908 6.490 128 HA CYS 21 HA CYS 21 -15.685 -2.061 8.472 129 HB2 CYS 21 1HB CYS 21 -13.963 -1.228 6.187 130 HB3 CYS 21 2HB CYS 21 -15.345 -0.213 6.582 131 HG CYS 21 HG CYS 21 -14.498 0.661 8.948 132 H ALA 22 H ALA 22 -17.617 -0.950 7.754 133 HA ALA 22 HA ALA 22 -18.906 -2.255 5.447 134 HB1 ALA 22 3HB ALA 22 -20.013 -3.244 7.221 135 HB2 ALA 22 1HB ALA 22 -19.948 -1.785 8.210 136 HB3 ALA 22 2HB ALA 22 -21.058 -1.876 6.842 137 H VAL 23 H VAL 23 -20.450 -1.015 4.298 138 HA VAL 23 HA VAL 23 -20.589 1.841 4.922 139 HB VAL 23 HB VAL 23 -18.697 1.427 3.298 140 HG11 VAL 23 1HG1 VAL 23 -18.995 0.332 1.377 141 HG12 VAL 23 2HG1 VAL 23 -20.538 -0.205 2.045 142 HG13 VAL 23 3HG1 VAL 23 -20.473 1.220 1.008 143 HG21 VAL 23 3HG2 VAL 23 -19.987 3.580 3.563 144 HG22 VAL 23 1HG2 VAL 23 -19.183 3.358 2.009 145 HG23 VAL 23 2HG2 VAL 23 -20.922 3.099 2.147 146 H ILE 24 H ILE 24 -22.230 2.971 3.588 147 HA ILE 24 HA ILE 24 -24.541 1.221 3.196 148 HB ILE 24 HB ILE 24 -24.287 4.199 3.555 149 HG12 ILE 24 1HG1 ILE 24 -25.895 3.652 5.453 150 HG13 ILE 24 2HG1 ILE 24 -25.553 1.955 5.130 151 HG21 ILE 24 1HG2 ILE 24 -25.963 4.059 1.925 152 HG22 ILE 24 2HG2 ILE 24 -26.644 2.591 2.625 153 HG23 ILE 24 3HG2 ILE 24 -26.839 4.136 3.454 154 HD11 ILE 24 3HD1 ILE 24 -23.519 4.034 5.901 155 HD12 ILE 24 1HD1 ILE 24 -24.218 2.822 6.975 156 HD13 ILE 24 2HD1 ILE 24 -23.205 2.321 5.621 157 H GLU 25 H GLU 25 -25.737 1.167 1.307 158 HA GLU 25 HA GLU 25 -24.370 1.381 -1.111 159 HB2 GLU 25 1HB GLU 25 -26.572 0.119 -0.476 160 HB3 GLU 25 2HB GLU 25 -27.356 1.599 -1.010 161 HG2 GLU 25 1HG GLU 25 -26.544 1.360 -3.206 162 HG3 GLU 25 2HG GLU 25 -25.398 0.109 -2.727 163 H GLY 26 H GLY 26 -23.676 3.150 -2.105 164 HA2 GLY 26 1HA GLY 26 -24.284 5.104 -3.405 165 HA3 GLY 26 2HA GLY 26 -25.450 5.506 -2.153 166 H GLN 27 H GLN 27 -22.941 4.498 -0.413 167 HA GLN 27 HA GLN 27 -21.977 7.221 -0.004 168 HB2 GLN 27 1HB GLN 27 -22.053 4.733 1.622 169 HB3 GLN 27 2HB GLN 27 -20.743 5.863 1.938 170 HG2 GLN 27 1HG GLN 27 -23.679 6.522 2.015 171 HG3 GLN 27 2HG GLN 27 -22.651 6.228 3.416 172 HE21 GLN 27 1HE2 GLN 27 -24.200 8.604 2.505 173 HE22 GLN 27 2HE2 GLN 27 -23.059 9.901 2.495 174 H ASP 28 H ASP 28 -19.542 7.215 0.778 175 HA ASP 28 HA ASP 28 -17.982 5.762 -1.258 176 HB2 ASP 28 1HB ASP 28 -16.404 7.753 -1.134 177 HB3 ASP 28 2HB ASP 28 -17.956 8.040 -1.916 178 H PHE 29 H PHE 29 -15.995 4.924 -0.665 179 HA PHE 29 HA PHE 29 -15.052 5.299 2.061 180 HB2 PHE 29 1HB PHE 29 -15.185 3.058 2.734 181 HB3 PHE 29 2HB PHE 29 -16.733 3.343 1.945 182 HD1 PHE 29 HD2 PHE 29 -13.380 1.858 1.480 183 HD2 PHE 29 HD1 PHE 29 -17.389 2.092 0.069 184 HE1 PHE 29 HE2 PHE 29 -12.961 -0.048 -0.018 185 HE2 PHE 29 HE1 PHE 29 -16.976 0.186 -1.431 186 HZ PHE 29 HZ PHE 29 -14.759 -0.886 -1.477 187 H VAL 30 H VAL 30 -12.888 5.277 2.173 188 HA VAL 30 HA VAL 30 -11.400 4.167 -0.118 189 HB VAL 30 HB VAL 30 -11.232 6.530 -0.320 190 HG11 VAL 30 1HG1 VAL 30 -11.960 6.951 2.067 191 HG12 VAL 30 2HG1 VAL 30 -10.269 6.736 2.522 192 HG13 VAL 30 3HG1 VAL 30 -10.729 8.039 1.426 193 HG21 VAL 30 3HG2 VAL 30 -8.810 6.926 0.117 194 HG22 VAL 30 1HG2 VAL 30 -8.769 5.399 0.999 195 HG23 VAL 30 2HG2 VAL 30 -9.147 5.413 -0.724 196 H LEU 31 H LEU 31 -10.672 2.284 0.729 197 HA LEU 31 HA LEU 31 -9.974 1.729 3.341 198 HB2 LEU 31 1HB LEU 31 -8.685 0.589 0.866 199 HB3 LEU 31 2HB LEU 31 -8.687 -0.140 2.470 200 HG LEU 31 HG LEU 31 -11.271 0.389 1.053 201 HD11 LEU 31 1HD1 LEU 31 -11.152 -1.479 -0.255 202 HD12 LEU 31 2HD1 LEU 31 -9.949 -2.260 0.771 203 HD13 LEU 31 3HD1 LEU 31 -9.468 -0.958 -0.316 204 HD21 LEU 31 3HD2 LEU 31 -10.313 -1.129 3.385 205 HD22 LEU 31 1HD2 LEU 31 -11.506 -1.952 2.380 206 HD23 LEU 31 2HD2 LEU 31 -11.880 -0.377 3.081 207 H GLN 32 H GLN 32 -8.410 2.410 4.638 208 HA GLN 32 HA GLN 32 -6.036 3.663 3.430 209 HB2 GLN 32 1HB GLN 32 -7.629 5.015 4.939 210 HB3 GLN 32 2HB GLN 32 -6.945 4.085 6.266 211 HG2 GLN 32 1HG GLN 32 -4.756 4.943 5.822 212 HG3 GLN 32 2HG GLN 32 -5.318 5.739 4.353 213 HE21 GLN 32 1HE2 GLN 32 -3.999 7.190 6.211 214 HE22 GLN 32 2HE2 GLN 32 -5.081 8.271 7.013 215 H CYS 33 H CYS 33 -4.114 2.747 3.732 216 HA CYS 33 HA CYS 33 -3.641 1.066 6.066 217 HB2 CYS 33 1HB CYS 33 -2.756 -0.783 4.713 218 HB3 CYS 33 2HB CYS 33 -4.458 -0.501 4.370 219 HG CYS 33 HG CYS 33 -2.599 1.248 2.287 220 H SER 34 H SER 34 -1.279 0.313 6.070 221 HA SER 34 HA SER 34 0.443 2.385 4.883 222 HB2 SER 34 1HB SER 34 0.681 1.269 7.688 223 HB3 SER 34 2HB SER 34 1.756 2.457 6.952 224 HG SER 34 HG SER 34 -0.440 3.605 6.640 225 H VAL 35 H VAL 35 2.199 1.651 3.861 226 HA VAL 35 HA VAL 35 3.243 -1.007 4.497 227 HB VAL 35 HB VAL 35 1.820 -1.593 2.711 228 HG11 VAL 35 1HG1 VAL 35 2.484 -0.054 0.498 229 HG12 VAL 35 2HG1 VAL 35 0.999 0.045 1.445 230 HG13 VAL 35 3HG1 VAL 35 2.357 1.107 1.820 231 HG21 VAL 35 3HG2 VAL 35 3.306 -2.569 1.270 232 HG22 VAL 35 1HG2 VAL 35 4.277 -1.105 1.107 233 HG23 VAL 35 2HG2 VAL 35 4.408 -2.094 2.562 234 H ARG 36 H ARG 36 5.317 -0.690 4.934 235 HA ARG 36 HA ARG 36 6.763 1.495 3.654 236 HB2 ARG 36 1HB ARG 36 7.662 -0.383 5.846 237 HB3 ARG 36 2HB ARG 36 8.502 1.065 5.309 238 HG2 ARG 36 1HG ARG 36 6.314 2.283 5.958 239 HG3 ARG 36 2HG ARG 36 5.982 0.822 6.892 240 HD2 ARG 36 1HD ARG 36 8.147 1.098 8.038 241 HD3 ARG 36 2HD ARG 36 8.411 2.593 7.140 242 HE ARG 36 HE ARG 36 5.942 2.642 8.555 243 HH11 ARG 36 2HH1 ARG 36 9.384 2.995 8.943 244 HH12 ARG 36 1HH1 ARG 36 9.254 4.023 10.331 245 HH21 ARG 36 2HH2 ARG 36 5.757 3.996 10.382 246 HH22 ARG 36 1HH2 ARG 36 7.190 4.591 11.149 247 H GLY 37 H GLY 37 9.012 1.088 2.905 248 HA2 GLY 37 1HA GLY 37 10.300 -1.192 2.341 249 HA3 GLY 37 2HA GLY 37 9.014 -1.222 1.143 250 H THR 38 H THR 38 11.606 -1.219 0.311 251 HA THR 38 HA THR 38 11.681 1.138 -1.312 252 HB THR 38 HB THR 38 13.741 0.794 0.861 253 HG1 THR 38 HG1 THR 38 13.227 3.059 1.114 254 HG21 THR 38 3HG2 THR 38 14.177 1.632 -1.858 255 HG22 THR 38 1HG2 THR 38 15.341 1.450 -0.546 256 HG23 THR 38 2HG2 THR 38 14.471 2.971 -0.749 257 HA PRO 39 HA PRO 39 12.514 1.891 -3.006 258 HB2 PRO 39 1HB PRO 39 11.812 1.287 -5.558 259 HB3 PRO 39 2HB PRO 39 13.465 1.701 -5.089 260 HG2 PRO 39 1HG PRO 39 12.244 -0.994 -5.545 261 HG3 PRO 39 2HG PRO 39 13.828 -0.382 -6.056 262 HD2 PRO 39 1HD PRO 39 13.513 -1.983 -3.896 263 HD3 PRO 39 2HD PRO 39 14.774 -0.737 -3.985 264 H VAL 40 H VAL 40 10.384 2.619 -3.898 265 HA VAL 40 HA VAL 40 8.245 1.636 -2.501 266 HB VAL 40 HB VAL 40 8.155 3.008 -5.192 267 HG11 VAL 40 1HG1 VAL 40 5.877 3.740 -4.368 268 HG12 VAL 40 2HG1 VAL 40 6.022 2.047 -4.846 269 HG13 VAL 40 3HG1 VAL 40 6.020 2.486 -3.137 270 HG21 VAL 40 3HG2 VAL 40 7.530 4.950 -3.532 271 HG22 VAL 40 1HG2 VAL 40 8.440 3.966 -2.386 272 HG23 VAL 40 2HG2 VAL 40 9.215 4.546 -3.860 273 HA PRO 41 HA PRO 41 7.518 -2.263 -4.548 274 HB2 PRO 41 1HB PRO 41 5.423 -2.996 -2.984 275 HB3 PRO 41 2HB PRO 41 7.105 -3.112 -2.454 276 HG2 PRO 41 1HG PRO 41 5.072 -0.998 -1.854 277 HG3 PRO 41 2HG PRO 41 6.239 -1.770 -0.764 278 HD2 PRO 41 1HD PRO 41 6.647 0.684 -1.836 279 HD3 PRO 41 2HD PRO 41 7.977 -0.436 -1.479 280 H ARG 42 H ARG 42 5.816 -3.238 -5.783 281 HA ARG 42 HA ARG 42 4.265 -1.364 -7.247 282 HB2 ARG 42 1HB ARG 42 4.560 -4.341 -7.252 283 HB3 ARG 42 2HB ARG 42 3.215 -3.615 -8.122 284 HG2 ARG 42 1HG ARG 42 4.762 -3.709 -9.788 285 HG3 ARG 42 2HG ARG 42 5.120 -2.109 -9.136 286 HD2 ARG 42 1HD ARG 42 6.931 -3.040 -7.803 287 HD3 ARG 42 2HD ARG 42 6.551 -4.658 -8.392 288 HE ARG 42 HE ARG 42 7.022 -3.096 -10.626 289 HH11 ARG 42 2HH1 ARG 42 8.783 -4.152 -7.815 290 HH12 ARG 42 1HH1 ARG 42 10.322 -4.132 -8.610 291 HH21 ARG 42 2HH2 ARG 42 9.043 -3.065 -11.684 292 HH22 ARG 42 1HH2 ARG 42 10.469 -3.513 -10.811 293 H ILE 43 H ILE 43 2.389 -0.501 -6.683 294 HA ILE 43 HA ILE 43 0.781 -1.776 -4.606 295 HB ILE 43 HB ILE 43 0.384 0.931 -5.883 296 HG12 ILE 43 1HG1 ILE 43 2.538 0.914 -4.792 297 HG13 ILE 43 2HG1 ILE 43 1.408 1.803 -3.776 298 HG21 ILE 43 1HG2 ILE 43 -1.019 -0.606 -3.805 299 HG22 ILE 43 2HG2 ILE 43 -0.702 1.083 -3.414 300 HG23 ILE 43 3HG2 ILE 43 -1.609 0.671 -4.869 301 HD11 ILE 43 3HD1 ILE 43 2.919 -0.610 -3.220 302 HD12 ILE 43 1HD1 ILE 43 2.162 0.537 -2.115 303 HD13 ILE 43 2HD1 ILE 43 1.207 -0.765 -2.827 304 H THR 44 H THR 44 -0.538 -3.298 -5.404 305 HA THR 44 HA THR 44 -2.416 -2.495 -7.509 306 HB THR 44 HB THR 44 -0.893 -5.106 -7.465 307 HG1 THR 44 HG1 THR 44 -1.060 -3.248 -9.597 308 HG21 THR 44 3HG2 THR 44 -2.443 -4.829 -9.814 309 HG22 THR 44 1HG2 THR 44 -3.516 -4.535 -8.446 310 HG23 THR 44 2HG2 THR 44 -2.603 -6.041 -8.543 311 H TRP 45 H TRP 45 -4.408 -2.697 -6.751 312 HA TRP 45 HA TRP 45 -4.928 -4.514 -4.525 313 HB2 TRP 45 1HB TRP 45 -6.697 -2.396 -5.767 314 HB3 TRP 45 2HB TRP 45 -7.063 -3.317 -4.311 315 HD1 TRP 45 HD1 TRP 45 -4.104 -1.061 -5.462 316 HE1 TRP 45 HE1 TRP 45 -3.444 0.436 -3.475 317 HE3 TRP 45 HE3 TRP 45 -7.463 -2.770 -2.008 318 HZ2 TRP 45 HZ2 TRP 45 -4.242 0.839 -0.797 319 HZ3 TRP 45 HZ3 TRP 45 -7.449 -1.776 0.243 320 HH2 TRP 45 HH2 TRP 45 -5.870 -0.010 0.834 321 H LEU 46 H LEU 46 -6.639 -6.025 -4.544 322 HA LEU 46 HA LEU 46 -7.486 -6.844 -7.246 323 HB2 LEU 46 1HB LEU 46 -6.912 -8.551 -4.829 324 HB3 LEU 46 2HB LEU 46 -7.589 -9.150 -6.342 325 HG LEU 46 HG LEU 46 -5.280 -9.711 -6.318 326 HD11 LEU 46 1HD1 LEU 46 -5.048 -7.320 -8.027 327 HD12 LEU 46 2HD1 LEU 46 -6.426 -8.374 -8.347 328 HD13 LEU 46 3HD1 LEU 46 -4.787 -9.023 -8.407 329 HD21 LEU 46 3HD2 LEU 46 -5.010 -7.288 -4.873 330 HD22 LEU 46 1HD2 LEU 46 -3.982 -7.182 -6.302 331 HD23 LEU 46 2HD2 LEU 46 -3.792 -8.528 -5.177 332 H LEU 47 H LEU 47 -9.591 -7.668 -7.500 333 HA LEU 47 HA LEU 47 -11.416 -7.198 -5.241 334 HB2 LEU 47 1HB LEU 47 -11.323 -5.460 -7.213 335 HB3 LEU 47 2HB LEU 47 -12.312 -6.666 -8.033 336 HG LEU 47 HG LEU 47 -14.058 -6.436 -6.419 337 HD11 LEU 47 1HD1 LEU 47 -13.017 -6.219 -4.353 338 HD12 LEU 47 2HD1 LEU 47 -13.745 -4.634 -4.609 339 HD13 LEU 47 3HD1 LEU 47 -12.019 -4.866 -4.887 340 HD21 LEU 47 3HD2 LEU 47 -13.138 -4.307 -8.035 341 HD22 LEU 47 1HD2 LEU 47 -13.747 -3.607 -6.535 342 HD23 LEU 47 2HD2 LEU 47 -14.787 -4.647 -7.507 343 H ASN 48 H ASN 48 -12.567 -8.936 -4.747 344 HA ASN 48 HA ASN 48 -13.377 -11.072 -4.844 345 HB2 ASN 48 1HB ASN 48 -14.878 -11.456 -6.863 346 HB3 ASN 48 2HB ASN 48 -15.238 -10.032 -5.891 347 HD21 ASN 48 1HD2 ASN 48 -15.120 -8.053 -6.793 348 HD22 ASN 48 2HD2 ASN 48 -14.707 -7.761 -8.445 349 H GLY 49 H GLY 49 -10.655 -10.619 -5.959 350 HA2 GLY 49 1HA GLY 49 -9.092 -12.219 -6.651 351 HA3 GLY 49 2HA GLY 49 -10.411 -13.216 -7.249 352 H GLN 50 H GLN 50 -9.788 -9.823 -8.012 353 HA GLN 50 HA GLN 50 -8.848 -10.541 -10.673 354 HB2 GLN 50 1HB GLN 50 -11.304 -8.838 -10.220 355 HB3 GLN 50 2HB GLN 50 -10.513 -9.084 -11.771 356 HG2 GLN 50 1HG GLN 50 -10.989 -11.502 -11.585 357 HG3 GLN 50 2HG GLN 50 -11.876 -11.179 -10.096 358 HE21 GLN 50 1HE2 GLN 50 -13.634 -12.203 -11.293 359 HE22 GLN 50 2HE2 GLN 50 -14.603 -11.232 -12.342 360 HA PRO 51 HA PRO 51 -6.279 -7.046 -9.833 361 HB2 PRO 51 1HB PRO 51 -5.221 -6.773 -12.318 362 HB3 PRO 51 2HB PRO 51 -4.736 -8.056 -11.203 363 HG2 PRO 51 1HG PRO 51 -6.653 -8.167 -13.500 364 HG3 PRO 51 2HG PRO 51 -5.406 -9.335 -13.026 365 HD2 PRO 51 1HD PRO 51 -8.026 -9.684 -12.439 366 HD3 PRO 51 2HD PRO 51 -6.725 -10.267 -11.381 367 H ILE 52 H ILE 52 -7.352 -5.182 -9.495 368 HA ILE 52 HA ILE 52 -9.185 -4.043 -11.348 369 HB ILE 52 HB ILE 52 -7.834 -2.695 -9.008 370 HG12 ILE 52 1HG1 ILE 52 -10.562 -3.979 -9.026 371 HG13 ILE 52 2HG1 ILE 52 -9.117 -4.860 -8.542 372 HG21 ILE 52 1HG2 ILE 52 -10.492 -2.028 -10.243 373 HG22 ILE 52 2HG2 ILE 52 -9.550 -1.080 -9.093 374 HG23 ILE 52 3HG2 ILE 52 -8.986 -1.265 -10.753 375 HD11 ILE 52 3HD1 ILE 52 -9.028 -3.854 -6.550 376 HD12 ILE 52 1HD1 ILE 52 -9.467 -2.279 -7.210 377 HD13 ILE 52 2HD1 ILE 52 -10.720 -3.470 -6.863 378 H GLN 53 H GLN 53 -8.772 -2.868 -13.092 379 HA GLN 53 HA GLN 53 -6.069 -1.882 -13.547 380 HB2 GLN 53 1HB GLN 53 -6.822 -1.491 -15.850 381 HB3 GLN 53 2HB GLN 53 -7.140 -3.144 -15.340 382 HG2 GLN 53 1HG GLN 53 -9.486 -2.479 -14.863 383 HG3 GLN 53 2HG GLN 53 -9.128 -0.898 -15.554 384 HE21 GLN 53 1HE2 GLN 53 -11.118 -2.132 -16.706 385 HE22 GLN 53 2HE2 GLN 53 -10.677 -2.822 -18.227 386 H TYR 54 H TYR 54 -9.265 -0.708 -12.863 387 HA TYR 54 HA TYR 54 -8.425 2.058 -13.354 388 HB2 TYR 54 1HB TYR 54 -10.871 2.559 -12.936 389 HB3 TYR 54 2HB TYR 54 -10.531 1.582 -14.360 390 HD1 TYR 54 HD1 TYR 54 -11.915 1.554 -10.955 391 HD2 TYR 54 HD2 TYR 54 -11.251 -0.713 -14.494 392 HE1 TYR 54 HE1 TYR 54 -13.475 -0.164 -10.141 393 HE2 TYR 54 HE2 TYR 54 -12.811 -2.436 -13.690 394 HH TYR 54 HH TYR 54 -14.720 -2.601 -12.117 395 H ALA 55 H ALA 55 -7.509 0.398 -11.081 396 HA ALA 55 HA ALA 55 -8.827 1.427 -8.739 397 HB1 ALA 55 3HB ALA 55 -7.049 -0.680 -9.299 398 HB2 ALA 55 1HB ALA 55 -6.227 0.384 -8.158 399 HB3 ALA 55 2HB ALA 55 -7.810 -0.284 -7.759 400 H ARG 56 H ARG 56 -8.681 3.612 -8.578 401 HA ARG 56 HA ARG 56 -6.264 5.045 -9.144 402 HB2 ARG 56 1HB ARG 56 -8.838 5.905 -7.813 403 HB3 ARG 56 2HB ARG 56 -7.519 6.995 -8.218 404 HG2 ARG 56 1HG ARG 56 -7.823 6.628 -10.548 405 HG3 ARG 56 2HG ARG 56 -8.959 5.311 -10.249 406 HD2 ARG 56 1HD ARG 56 -10.597 6.810 -9.397 407 HD3 ARG 56 2HD ARG 56 -9.443 8.142 -9.350 408 HE ARG 56 HE ARG 56 -10.931 7.212 -11.629 409 HH11 ARG 56 2HH1 ARG 56 -8.091 8.918 -10.559 410 HH12 ARG 56 1HH1 ARG 56 -7.915 9.814 -12.031 411 HH21 ARG 56 2HH2 ARG 56 -10.710 8.386 -13.572 412 HH22 ARG 56 1HH2 ARG 56 -9.406 9.511 -13.744 413 H SER 57 H SER 57 -5.432 3.209 -7.429 414 HA SER 57 HA SER 57 -5.620 3.863 -4.686 415 HB2 SER 57 1HB SER 57 -3.504 2.435 -4.524 416 HB3 SER 57 2HB SER 57 -4.931 1.654 -5.207 417 HG SER 57 HG SER 57 -3.175 2.944 -6.954 418 H THR 58 H THR 58 -4.657 5.395 -3.529 419 HA THR 58 HA THR 58 -2.285 6.730 -4.660 420 HB THR 58 HB THR 58 -3.046 8.851 -3.721 421 HG1 THR 58 HG1 THR 58 -5.223 8.936 -2.879 422 HG21 THR 58 3HG2 THR 58 -3.918 7.771 -6.005 423 HG22 THR 58 1HG2 THR 58 -4.423 9.370 -5.460 424 HG23 THR 58 2HG2 THR 58 -5.468 7.975 -5.190 425 H CYS 59 H CYS 59 -0.565 6.834 -3.361 426 HA CYS 59 HA CYS 59 -0.945 6.168 -0.517 427 HB2 CYS 59 1HB CYS 59 1.671 5.837 -1.951 428 HB3 CYS 59 2HB CYS 59 1.088 5.015 -0.509 429 HG CYS 59 HG CYS 59 1.116 3.892 -3.512 430 H GLU 60 H GLU 60 -0.553 7.747 0.876 431 HA GLU 60 HA GLU 60 1.075 10.030 -0.006 432 HB2 GLU 60 1HB GLU 60 -1.258 9.736 1.815 433 HB3 GLU 60 2HB GLU 60 -0.072 10.968 2.220 434 HG2 GLU 60 1HG GLU 60 -0.521 12.217 0.345 435 HG3 GLU 60 2HG GLU 60 -1.147 10.836 -0.554 436 H ALA 61 H ALA 61 3.132 9.398 0.499 437 HA ALA 61 HA ALA 61 4.980 9.231 1.829 438 HB1 ALA 61 3HB ALA 61 4.960 10.161 3.907 439 HB2 ALA 61 1HB ALA 61 3.433 10.803 3.300 440 HB3 ALA 61 2HB ALA 61 3.438 9.393 4.359 441 H GLY 62 H GLY 62 3.433 6.942 1.001 442 HA2 GLY 62 1HA GLY 62 4.104 4.676 1.340 443 HA3 GLY 62 2HA GLY 62 4.391 5.048 3.034 444 H VAL 63 H VAL 63 1.775 6.515 3.144 445 HA VAL 63 HA VAL 63 0.185 4.278 3.958 446 HB VAL 63 HB VAL 63 -0.521 7.210 3.784 447 HG11 VAL 63 1HG1 VAL 63 -2.444 5.550 3.733 448 HG12 VAL 63 2HG1 VAL 63 -1.967 5.108 5.374 449 HG13 VAL 63 3HG1 VAL 63 -2.476 6.759 5.016 450 HG21 VAL 63 3HG2 VAL 63 1.267 6.843 5.349 451 HG22 VAL 63 1HG2 VAL 63 -0.222 7.128 6.251 452 HG23 VAL 63 2HG2 VAL 63 0.406 5.489 6.081 453 H ALA 64 H ALA 64 -0.226 3.073 2.093 454 HA ALA 64 HA ALA 64 -1.274 4.124 -0.302 455 HB1 ALA 64 3HB ALA 64 -2.145 1.604 -0.420 456 HB2 ALA 64 1HB ALA 64 -0.459 2.047 -0.695 457 HB3 ALA 64 2HB ALA 64 -0.964 1.429 0.879 458 H GLU 65 H GLU 65 -3.372 4.197 -1.110 459 HA GLU 65 HA GLU 65 -5.587 3.550 0.664 460 HB2 GLU 65 1HB GLU 65 -5.095 6.335 -0.400 461 HB3 GLU 65 2HB GLU 65 -6.603 5.805 0.333 462 HG2 GLU 65 1HG GLU 65 -5.008 5.131 2.316 463 HG3 GLU 65 2HG GLU 65 -3.971 6.358 1.591 464 H LEU 66 H LEU 66 -7.550 3.243 -0.397 465 HA LEU 66 HA LEU 66 -7.447 3.385 -3.337 466 HB2 LEU 66 1HB LEU 66 -7.180 1.073 -2.467 467 HB3 LEU 66 2HB LEU 66 -8.763 1.217 -1.707 468 HG LEU 66 HG LEU 66 -9.642 1.644 -4.084 469 HD11 LEU 66 1HD1 LEU 66 -6.823 0.913 -4.593 470 HD12 LEU 66 2HD1 LEU 66 -7.917 1.941 -5.518 471 HD13 LEU 66 3HD1 LEU 66 -8.041 0.186 -5.641 472 HD21 LEU 66 3HD2 LEU 66 -8.924 -0.823 -2.705 473 HD22 LEU 66 1HD2 LEU 66 -9.115 -1.024 -4.447 474 HD23 LEU 66 2HD2 LEU 66 -10.436 -0.357 -3.487 475 H HIS 67 H HIS 67 -8.680 5.192 -3.599 476 HA HIS 67 HA HIS 67 -11.082 5.672 -2.132 477 HB2 HIS 67 1HB HIS 67 -9.935 6.949 -4.618 478 HB3 HIS 67 2HB HIS 67 -11.417 7.499 -3.840 479 HD1 HIS 67 HD1 HIS 67 -11.147 9.176 -2.025 480 HD2 HIS 67 HD2 HIS 67 -7.601 7.174 -2.846 481 HE1 HIS 67 HE1 HIS 67 -9.391 10.320 -0.634 482 HE2 HIS 67 HE2 HIS 67 -7.239 9.146 -1.213 483 H ILE 68 H ILE 68 -12.945 4.659 -2.424 484 HA ILE 68 HA ILE 68 -13.671 3.804 -5.148 485 HB ILE 68 HB ILE 68 -14.303 2.309 -2.600 486 HG12 ILE 68 1HG1 ILE 68 -11.910 2.187 -3.327 487 HG13 ILE 68 2HG1 ILE 68 -12.738 0.635 -3.345 488 HG21 ILE 68 1HG2 ILE 68 -15.031 0.542 -4.272 489 HG22 ILE 68 2HG2 ILE 68 -16.080 1.949 -4.100 490 HG23 ILE 68 3HG2 ILE 68 -14.993 1.823 -5.483 491 HD11 ILE 68 3HD1 ILE 68 -11.380 0.810 -5.298 492 HD12 ILE 68 1HD1 ILE 68 -13.072 0.908 -5.785 493 HD13 ILE 68 2HD1 ILE 68 -12.089 2.371 -5.711 494 H GLN 69 H GLN 69 -15.097 5.392 -5.655 495 HA GLN 69 HA GLN 69 -17.124 6.211 -3.744 496 HB2 GLN 69 1HB GLN 69 -17.747 7.879 -5.389 497 HB3 GLN 69 2HB GLN 69 -16.001 7.886 -5.173 498 HG2 GLN 69 1HG GLN 69 -15.754 6.563 -7.222 499 HG3 GLN 69 2HG GLN 69 -17.503 6.603 -7.444 500 HE21 GLN 69 1HE2 GLN 69 -17.728 7.798 -9.226 501 HE22 GLN 69 2HE2 GLN 69 -17.135 9.409 -9.422 502 H ASP 70 H ASP 70 -19.409 6.261 -4.353 503 HA ASP 70 HA ASP 70 -21.336 5.200 -4.933 504 HB2 ASP 70 1HB ASP 70 -20.498 5.942 -7.205 505 HB3 ASP 70 2HB ASP 70 -19.865 4.312 -7.417 506 H ALA 71 H ALA 71 -20.041 3.780 -3.121 507 HA ALA 71 HA ALA 71 -19.151 1.225 -3.687 508 HB1 ALA 71 3HB ALA 71 -19.581 2.653 -1.409 509 HB2 ALA 71 1HB ALA 71 -20.808 1.392 -1.278 510 HB3 ALA 71 2HB ALA 71 -19.109 0.954 -1.463 511 H LEU 72 H LEU 72 -20.307 0.190 -5.292 512 HA LEU 72 HA LEU 72 -23.156 -0.150 -5.118 513 HB2 LEU 72 1HB LEU 72 -21.032 -1.228 -6.945 514 HB3 LEU 72 2HB LEU 72 -22.704 -1.776 -7.040 515 HG LEU 72 HG LEU 72 -21.588 0.944 -7.657 516 HD11 LEU 72 1HD1 LEU 72 -22.908 -1.260 -9.157 517 HD12 LEU 72 2HD1 LEU 72 -21.529 -0.256 -9.603 518 HD13 LEU 72 3HD1 LEU 72 -23.163 0.402 -9.689 519 HD21 LEU 72 3HD2 LEU 72 -24.027 1.551 -8.053 520 HD22 LEU 72 1HD2 LEU 72 -23.480 1.495 -6.377 521 HD23 LEU 72 2HD2 LEU 72 -24.423 0.160 -7.041 522 HA PRO 73 HA PRO 73 -23.392 -3.867 -2.796 523 HB2 PRO 73 1HB PRO 73 -25.461 -5.136 -4.011 524 HB3 PRO 73 2HB PRO 73 -25.676 -3.710 -2.989 525 HG2 PRO 73 1HG PRO 73 -25.568 -3.902 -5.974 526 HG3 PRO 73 2HG PRO 73 -26.664 -2.954 -4.953 527 HD2 PRO 73 1HD PRO 73 -24.516 -1.863 -6.189 528 HD3 PRO 73 2HD PRO 73 -25.112 -1.283 -4.621 529 H GLU 74 H GLU 74 -22.858 -4.001 -6.214 530 HA GLU 74 HA GLU 74 -22.275 -6.853 -6.186 531 HB2 GLU 74 1HB GLU 74 -21.874 -6.577 -8.596 532 HB3 GLU 74 2HB GLU 74 -23.447 -5.951 -8.122 533 HG2 GLU 74 1HG GLU 74 -22.730 -3.716 -8.317 534 HG3 GLU 74 2HG GLU 74 -21.035 -4.190 -8.412 535 H ASP 75 H ASP 75 -20.670 -4.150 -5.277 536 HA ASP 75 HA ASP 75 -18.069 -4.894 -6.357 537 HB2 ASP 75 1HB ASP 75 -18.912 -2.482 -6.088 538 HB3 ASP 75 2HB ASP 75 -18.596 -2.693 -4.368 539 H HIS 76 H HIS 76 -19.863 -4.991 -3.352 540 HA HIS 76 HA HIS 76 -17.971 -5.391 -1.444 541 HB2 HIS 76 1HB HIS 76 -20.108 -5.486 -0.588 542 HB3 HIS 76 2HB HIS 76 -20.689 -6.547 -1.867 543 HD1 HIS 76 HD1 HIS 76 -21.726 -8.159 -0.126 544 HD2 HIS 76 HD2 HIS 76 -17.608 -7.713 0.202 545 HE1 HIS 76 HE1 HIS 76 -20.968 -10.012 1.396 546 HE2 HIS 76 HE2 HIS 76 -18.485 -9.671 1.647 547 H GLY 77 H GLY 77 -16.102 -6.427 -1.996 548 HA2 GLY 77 1HA GLY 77 -16.344 -9.329 -2.441 549 HA3 GLY 77 2HA GLY 77 -15.286 -8.371 -3.466 550 H THR 78 H THR 78 -13.253 -8.807 -2.939 551 HA THR 78 HA THR 78 -12.493 -8.643 -0.105 552 HB THR 78 HB THR 78 -11.503 -10.745 -2.041 553 HG1 THR 78 HG1 THR 78 -13.627 -11.064 -1.050 554 HG21 THR 78 3HG2 THR 78 -9.831 -11.241 -0.623 555 HG22 THR 78 1HG2 THR 78 -10.840 -10.996 0.801 556 HG23 THR 78 2HG2 THR 78 -10.083 -9.614 0.008 557 H TYR 79 H TYR 79 -11.466 -6.707 -0.198 558 HA TYR 79 HA TYR 79 -9.709 -6.013 -2.366 559 HB2 TYR 79 1HB TYR 79 -10.359 -4.672 0.259 560 HB3 TYR 79 2HB TYR 79 -9.210 -4.008 -0.897 561 HD1 TYR 79 HD2 TYR 79 -12.759 -4.836 -0.332 562 HD2 TYR 79 HD1 TYR 79 -9.953 -2.910 -2.886 563 HE1 TYR 79 HE2 TYR 79 -14.608 -3.746 -1.532 564 HE2 TYR 79 HE1 TYR 79 -11.794 -1.814 -4.093 565 HH TYR 79 HH TYR 79 -14.203 -1.152 -3.566 566 H THR 80 H THR 80 -7.650 -6.566 -2.544 567 HA THR 80 HA THR 80 -6.121 -7.152 -0.096 568 HB THR 80 HB THR 80 -6.025 -8.682 -2.701 569 HG1 THR 80 HG1 THR 80 -7.690 -9.095 -0.958 570 HG21 THR 80 3HG2 THR 80 -4.060 -8.372 -0.563 571 HG22 THR 80 1HG2 THR 80 -3.870 -9.039 -2.184 572 HG23 THR 80 2HG2 THR 80 -4.487 -10.053 -0.880 573 H CYS 81 H CYS 81 -4.600 -5.652 0.111 574 HA CYS 81 HA CYS 81 -3.556 -4.264 -2.210 575 HB2 CYS 81 1HB CYS 81 -4.153 -3.139 -0.010 576 HB3 CYS 81 2HB CYS 81 -2.713 -3.894 0.664 577 HG CYS 81 HG CYS 81 -2.596 -1.812 -2.045 578 H LEU 82 H LEU 82 -2.068 -5.338 -3.350 579 HA LEU 82 HA LEU 82 -0.070 -6.957 -1.960 580 HB2 LEU 82 1HB LEU 82 -0.858 -8.208 -3.708 581 HB3 LEU 82 2HB LEU 82 -1.105 -6.803 -4.743 582 HG LEU 82 HG LEU 82 1.317 -6.683 -5.137 583 HD11 LEU 82 1HD1 LEU 82 1.321 -8.775 -3.065 584 HD12 LEU 82 2HD1 LEU 82 2.542 -7.569 -3.469 585 HD13 LEU 82 3HD1 LEU 82 2.406 -9.041 -4.430 586 HD21 LEU 82 3HD2 LEU 82 0.218 -7.844 -6.820 587 HD22 LEU 82 1HD2 LEU 82 -0.184 -9.197 -5.763 588 HD23 LEU 82 2HD2 LEU 82 1.475 -8.977 -6.319 589 H ALA 83 H ALA 83 1.963 -6.308 -1.671 590 HA ALA 83 HA ALA 83 3.002 -4.113 -3.330 591 HB1 ALA 83 3HB ALA 83 2.381 -3.966 -0.560 592 HB2 ALA 83 1HB ALA 83 4.133 -3.870 -0.744 593 HB3 ALA 83 2HB ALA 83 3.092 -2.731 -1.599 594 H GLU 84 H GLU 84 4.461 -5.232 -4.509 595 HA GLU 84 HA GLU 84 6.539 -6.692 -3.017 596 HB2 GLU 84 1HB GLU 84 6.682 -8.346 -4.714 597 HB3 GLU 84 2HB GLU 84 4.974 -8.173 -4.336 598 HG2 GLU 84 1HG GLU 84 4.577 -6.926 -6.319 599 HG3 GLU 84 2HG GLU 84 6.303 -6.787 -6.647 600 H ASN 85 H ASN 85 8.637 -6.326 -3.594 601 HA ASN 85 HA ASN 85 9.114 -4.467 -5.825 602 HB2 ASN 85 1HB ASN 85 10.747 -3.261 -4.514 603 HB3 ASN 85 2HB ASN 85 9.228 -3.299 -3.623 604 HD21 ASN 85 1HD2 ASN 85 11.066 -2.700 -2.021 605 HD22 ASN 85 2HD2 ASN 85 11.684 -4.025 -1.101 606 H ALA 86 H ALA 86 11.770 -4.326 -5.910 607 HA ALA 86 HA ALA 86 12.538 -6.828 -6.996 608 HB1 ALA 86 3HB ALA 86 14.622 -4.830 -6.323 609 HB2 ALA 86 1HB ALA 86 14.367 -5.749 -7.807 610 HB3 ALA 86 2HB ALA 86 13.360 -4.344 -7.455 611 H LEU 87 H LEU 87 12.279 -5.936 -3.844 612 HA LEU 87 HA LEU 87 14.566 -7.560 -2.968 613 HB2 LEU 87 1HB LEU 87 12.982 -5.370 -1.723 614 HB3 LEU 87 2HB LEU 87 13.712 -6.580 -0.670 615 HG LEU 87 HG LEU 87 15.898 -5.980 -1.965 616 HD11 LEU 87 1HD1 LEU 87 14.961 -4.577 -3.660 617 HD12 LEU 87 2HD1 LEU 87 15.926 -3.568 -2.583 618 HD13 LEU 87 3HD1 LEU 87 14.167 -3.564 -2.454 619 HD21 LEU 87 3HD2 LEU 87 16.468 -5.032 -0.032 620 HD22 LEU 87 1HD2 LEU 87 14.785 -5.233 0.457 621 HD23 LEU 87 2HD2 LEU 87 15.320 -3.711 -0.255 622 H GLY 88 H GLY 88 11.399 -6.927 -1.476 623 HA2 GLY 88 1HA GLY 88 11.056 -9.854 -1.241 624 HA3 GLY 88 2HA GLY 88 10.559 -8.720 0.006 625 H GLN 89 H GLN 89 8.496 -9.916 -0.267 626 HA GLN 89 HA GLN 89 6.731 -8.393 -1.951 627 HB2 GLN 89 1HB GLN 89 6.009 -10.022 -3.420 628 HB3 GLN 89 2HB GLN 89 7.727 -10.384 -3.322 629 HG2 GLN 89 1HG GLN 89 6.698 -12.459 -3.160 630 HG3 GLN 89 2HG GLN 89 7.093 -12.045 -1.492 631 HE21 GLN 89 1HE2 GLN 89 4.440 -11.097 -3.646 632 HE22 GLN 89 2HE2 GLN 89 3.172 -11.615 -2.594 633 H VAL 90 H VAL 90 4.880 -8.094 -0.897 634 HA VAL 90 HA VAL 90 3.917 -10.164 0.941 635 HB VAL 90 HB VAL 90 3.443 -8.549 2.694 636 HG11 VAL 90 1HG1 VAL 90 6.325 -8.143 1.964 637 HG12 VAL 90 2HG1 VAL 90 5.605 -8.353 3.562 638 HG13 VAL 90 3HG1 VAL 90 5.710 -9.722 2.453 639 HG21 VAL 90 3HG2 VAL 90 4.151 -6.645 0.601 640 HG22 VAL 90 1HG2 VAL 90 3.161 -6.427 2.045 641 HG23 VAL 90 2HG2 VAL 90 4.917 -6.295 2.150 642 H SER 91 H SER 91 1.671 -10.060 1.397 643 HA SER 91 HA SER 91 0.077 -8.127 -0.094 644 HB2 SER 91 1HB SER 91 -1.027 -9.638 -1.457 645 HB3 SER 91 2HB SER 91 0.590 -10.342 -1.433 646 HG SER 91 HG SER 91 -1.403 -11.704 -0.942 647 H CYS 92 H CYS 92 -1.747 -7.570 0.947 648 HA CYS 92 HA CYS 92 -2.598 -9.245 3.216 649 HB2 CYS 92 1HB CYS 92 -3.091 -7.258 4.498 650 HB3 CYS 92 2HB CYS 92 -1.423 -7.173 3.946 651 HG CYS 92 HG CYS 92 -3.239 -5.703 1.684 652 H SER 93 H SER 93 -4.657 -9.859 3.176 653 HA SER 93 HA SER 93 -6.423 -8.672 1.167 654 HB2 SER 93 1HB SER 93 -7.752 -10.669 1.349 655 HB3 SER 93 2HB SER 93 -6.063 -11.162 1.243 656 HG SER 93 HG SER 93 -6.148 -11.222 3.617 657 H ALA 94 H ALA 94 -8.682 -8.280 1.712 658 HA ALA 94 HA ALA 94 -9.305 -7.894 4.527 659 HB1 ALA 94 3HB ALA 94 -9.613 -5.542 2.690 660 HB2 ALA 94 1HB ALA 94 -9.669 -5.586 4.453 661 HB3 ALA 94 2HB ALA 94 -8.134 -5.809 3.613 662 H TRP 95 H TRP 95 -11.577 -7.307 4.872 663 HA TRP 95 HA TRP 95 -13.279 -8.192 2.634 664 HB2 TRP 95 1HB TRP 95 -13.041 -9.729 4.691 665 HB3 TRP 95 2HB TRP 95 -14.017 -8.528 5.533 666 HD1 TRP 95 HD1 TRP 95 -16.596 -8.393 4.928 667 HE1 TRP 95 HE1 TRP 95 -18.168 -9.973 3.640 668 HE3 TRP 95 HE3 TRP 95 -13.097 -11.374 2.689 669 HZ2 TRP 95 HZ2 TRP 95 -17.954 -12.189 1.905 670 HZ3 TRP 95 HZ3 TRP 95 -13.864 -13.201 1.231 671 HH2 TRP 95 HH2 TRP 95 -16.242 -13.599 0.849 672 H VAL 96 H VAL 96 -14.686 -6.738 1.922 673 HA VAL 96 HA VAL 96 -15.532 -4.586 3.752 674 HB VAL 96 HB VAL 96 -14.883 -4.410 0.812 675 HG11 VAL 96 1HG1 VAL 96 -16.716 -2.810 2.446 676 HG12 VAL 96 2HG1 VAL 96 -15.518 -1.869 1.554 677 HG13 VAL 96 3HG1 VAL 96 -16.598 -2.967 0.693 678 HG21 VAL 96 3HG2 VAL 96 -13.841 -2.463 2.764 679 HG22 VAL 96 1HG2 VAL 96 -13.234 -4.111 2.923 680 HG23 VAL 96 2HG2 VAL 96 -13.041 -3.243 1.400 681 H THR 97 H THR 97 -17.626 -4.669 4.182 682 HA THR 97 HA THR 97 -19.425 -5.979 2.264 683 HB THR 97 HB THR 97 -20.194 -5.265 5.080 684 HG1 THR 97 HG1 THR 97 -19.474 -7.437 5.609 685 HG21 THR 97 3HG2 THR 97 -21.989 -6.588 4.730 686 HG22 THR 97 1HG2 THR 97 -21.065 -7.774 3.809 687 HG23 THR 97 2HG2 THR 97 -21.635 -6.299 3.027 688 H VAL 98 H VAL 98 -20.921 -4.847 1.199 689 HA VAL 98 HA VAL 98 -21.336 -2.037 1.974 690 HB VAL 98 HB VAL 98 -21.799 -3.307 -0.729 691 HG11 VAL 98 1HG1 VAL 98 -21.545 -0.580 -1.047 692 HG12 VAL 98 2HG1 VAL 98 -23.056 -1.492 -1.062 693 HG13 VAL 98 3HG1 VAL 98 -22.498 -0.733 0.429 694 HG21 VAL 98 3HG2 VAL 98 -19.748 -2.515 -1.444 695 HG22 VAL 98 1HG2 VAL 98 -19.633 -1.334 -0.140 696 HG23 VAL 98 2HG2 VAL 98 -19.379 -3.047 0.196 697 H HIS 99 H HIS 99 -23.156 -1.786 3.091 698 HA HIS 99 HA HIS 99 -25.294 -3.549 3.230 699 HB2 HIS 99 1HB HIS 99 -25.345 -0.555 3.659 700 HB3 HIS 99 2HB HIS 99 -26.560 -1.693 4.233 701 HD1 HIS 99 HD1 HIS 99 -25.382 -3.677 5.844 702 HD2 HIS 99 HD2 HIS 99 -23.535 0.034 5.566 703 HE1 HIS 99 HE1 HIS 99 -23.884 -3.519 7.858 704 HE2 HIS 99 HE2 HIS 99 -22.842 -1.230 7.713 Start of MODEL 15 1 H1 GLY 1 H GLY 1 29.283 -1.699 -17.774 2 HA2 GLY 1 1HA GLY 1 28.611 0.815 -17.582 3 HA3 GLY 1 2HA GLY 1 26.993 0.131 -17.635 4 H SER 2 H SER 2 28.412 1.644 -15.515 5 HA SER 2 HA SER 2 28.071 -0.331 -13.358 6 HB2 SER 2 1HB SER 2 30.180 1.820 -13.599 7 HB3 SER 2 2HB SER 2 29.820 0.987 -12.087 8 HG SER 2 HG SER 2 31.060 0.040 -14.398 9 H SER 3 H SER 3 26.727 0.243 -11.760 10 HA SER 3 HA SER 3 25.927 3.067 -11.553 11 HB2 SER 3 1HB SER 3 24.083 2.113 -12.673 12 HB3 SER 3 2HB SER 3 24.163 0.630 -11.722 13 HG SER 3 HG SER 3 23.703 3.052 -10.397 14 H GLY 4 H GLY 4 26.081 3.865 -9.561 15 HA2 GLY 4 1HA GLY 4 26.737 2.064 -7.373 16 HA3 GLY 4 2HA GLY 4 26.826 3.819 -7.344 17 H SER 5 H SER 5 25.713 2.152 -5.308 18 HA SER 5 HA SER 5 22.829 2.599 -5.538 19 HB2 SER 5 1HB SER 5 24.372 1.152 -3.371 20 HB3 SER 5 2HB SER 5 22.620 1.176 -3.570 21 HG SER 5 HG SER 5 23.347 0.338 -5.830 22 H SER 6 H SER 6 21.674 3.527 -3.691 23 HA SER 6 HA SER 6 23.290 5.438 -2.146 24 HB2 SER 6 1HB SER 6 22.268 6.633 -4.041 25 HB3 SER 6 2HB SER 6 20.675 6.064 -3.542 26 HG SER 6 HG SER 6 21.021 8.140 -2.745 27 H GLY 7 H GLY 7 23.017 5.042 -0.058 28 HA2 GLY 7 1HA GLY 7 22.014 4.574 1.954 29 HA3 GLY 7 2HA GLY 7 20.490 5.016 1.198 30 H MET 8 H MET 8 21.194 2.833 3.088 31 HA MET 8 HA MET 8 21.182 0.349 1.768 32 HB2 MET 8 1HB MET 8 21.600 0.970 4.280 33 HB3 MET 8 2HB MET 8 19.868 0.712 4.435 34 HG2 MET 8 1HG MET 8 21.071 -1.291 5.029 35 HG3 MET 8 2HG MET 8 20.130 -1.556 3.563 36 HE1 MET 8 3HE MET 8 24.621 -0.696 3.629 37 HE2 MET 8 1HE MET 8 23.377 -0.035 4.691 38 HE3 MET 8 2HE MET 8 23.986 -1.669 4.957 39 H GLU 9 H GLU 9 19.502 -1.126 1.371 40 HA GLU 9 HA GLU 9 16.890 0.153 0.962 41 HB2 GLU 9 1HB GLU 9 18.320 -2.103 -0.398 42 HB3 GLU 9 2HB GLU 9 16.567 -1.999 -0.488 43 HG2 GLU 9 1HG GLU 9 16.606 -0.076 -1.745 44 HG3 GLU 9 2HG GLU 9 18.210 0.388 -1.180 45 H VAL 10 H VAL 10 15.011 -1.475 1.061 46 HA VAL 10 HA VAL 10 15.343 -3.478 3.157 47 HB VAL 10 HB VAL 10 13.176 -2.533 4.220 48 HG11 VAL 10 1HG1 VAL 10 15.835 -1.154 4.578 49 HG12 VAL 10 2HG1 VAL 10 14.497 -1.109 5.729 50 HG13 VAL 10 3HG1 VAL 10 15.307 -2.636 5.375 51 HG21 VAL 10 3HG2 VAL 10 14.238 0.082 3.214 52 HG22 VAL 10 1HG2 VAL 10 13.025 -0.815 2.301 53 HG23 VAL 10 2HG2 VAL 10 12.673 -0.277 3.943 54 H ALA 11 H ALA 11 13.224 -4.679 3.511 55 HA ALA 11 HA ALA 11 12.093 -5.273 0.885 56 HB1 ALA 11 3HB ALA 11 11.058 -7.034 2.833 57 HB2 ALA 11 1HB ALA 11 12.257 -7.370 1.584 58 HB3 ALA 11 2HB ALA 11 12.775 -6.824 3.179 59 HA PRO 12 HA PRO 12 8.112 -3.578 1.611 60 HB2 PRO 12 1HB PRO 12 6.454 -5.476 0.602 61 HB3 PRO 12 2HB PRO 12 7.467 -4.446 -0.416 62 HG2 PRO 12 1HG PRO 12 7.936 -7.260 0.492 63 HG3 PRO 12 2HG PRO 12 8.195 -6.543 -1.109 64 HD2 PRO 12 1HD PRO 12 10.215 -6.960 0.644 65 HD3 PRO 12 2HD PRO 12 10.210 -5.604 -0.501 66 H SER 13 H SER 13 6.176 -3.721 2.855 67 HA SER 13 HA SER 13 5.434 -5.966 4.385 68 HB2 SER 13 1HB SER 13 7.682 -5.158 5.450 69 HB3 SER 13 2HB SER 13 6.686 -3.877 6.142 70 HG SER 13 HG SER 13 5.736 -6.482 6.371 71 H PHE 14 H PHE 14 3.708 -5.484 5.918 72 HA PHE 14 HA PHE 14 2.342 -2.968 5.231 73 HB2 PHE 14 1HB PHE 14 1.219 -5.662 6.014 74 HB3 PHE 14 2HB PHE 14 0.244 -4.204 5.862 75 HD1 PHE 14 HD2 PHE 14 0.295 -3.001 3.592 76 HD2 PHE 14 HD1 PHE 14 1.600 -7.011 4.172 77 HE1 PHE 14 HE2 PHE 14 0.022 -3.435 1.185 78 HE2 PHE 14 HE1 PHE 14 1.330 -7.450 1.766 79 HZ PHE 14 HZ PHE 14 0.539 -5.662 0.270 80 H SER 15 H SER 15 2.772 -1.557 6.820 81 HA SER 15 HA SER 15 3.244 -2.249 9.517 82 HB2 SER 15 1HB SER 15 3.980 -0.124 8.342 83 HB3 SER 15 2HB SER 15 2.324 0.454 8.526 84 HG SER 15 HG SER 15 3.010 1.106 10.403 85 H SER 16 H SER 16 0.376 -1.031 7.833 86 HA SER 16 HA SER 16 -1.242 -1.908 10.125 87 HB2 SER 16 1HB SER 16 -0.845 0.694 9.783 88 HB3 SER 16 2HB SER 16 -2.125 0.494 8.586 89 HG SER 16 HG SER 16 -3.350 0.727 10.292 90 H VAL 17 H VAL 17 -1.797 -3.795 9.014 91 HA VAL 17 HA VAL 17 -2.686 -3.986 6.385 92 HB VAL 17 HB VAL 17 -3.828 -6.072 7.081 93 HG11 VAL 17 1HG1 VAL 17 -1.714 -6.689 6.615 94 HG12 VAL 17 2HG1 VAL 17 -1.011 -5.430 7.633 95 HG13 VAL 17 3HG1 VAL 17 -1.602 -6.925 8.359 96 HG21 VAL 17 3HG2 VAL 17 -2.862 -6.181 9.780 97 HG22 VAL 17 1HG2 VAL 17 -3.931 -4.793 9.578 98 HG23 VAL 17 2HG2 VAL 17 -4.501 -6.412 9.172 99 H LEU 18 H LEU 18 -4.857 -4.351 5.567 100 HA LEU 18 HA LEU 18 -6.638 -2.286 6.275 101 HB2 LEU 18 1HB LEU 18 -7.264 -4.772 4.693 102 HB3 LEU 18 2HB LEU 18 -8.145 -3.246 4.660 103 HG LEU 18 HG LEU 18 -5.270 -3.332 3.836 104 HD11 LEU 18 1HD1 LEU 18 -7.598 -3.960 2.027 105 HD12 LEU 18 2HD1 LEU 18 -6.420 -5.137 2.606 106 HD13 LEU 18 3HD1 LEU 18 -5.903 -3.814 1.560 107 HD21 LEU 18 3HD2 LEU 18 -6.568 -1.197 4.181 108 HD22 LEU 18 1HD2 LEU 18 -7.560 -1.676 2.804 109 HD23 LEU 18 2HD2 LEU 18 -5.831 -1.398 2.590 110 H LYS 19 H LYS 19 -8.769 -2.421 7.133 111 HA LYS 19 HA LYS 19 -9.268 -4.791 8.810 112 HB2 LYS 19 1HB LYS 19 -9.175 -1.913 9.563 113 HB3 LYS 19 2HB LYS 19 -10.409 -2.909 10.322 114 HG2 LYS 19 1HG LYS 19 -8.844 -4.256 11.389 115 HG3 LYS 19 2HG LYS 19 -7.542 -3.767 10.302 116 HD2 LYS 19 1HD LYS 19 -7.800 -1.437 11.273 117 HD3 LYS 19 2HD LYS 19 -8.821 -2.172 12.511 118 HE2 LYS 19 1HE LYS 19 -6.610 -2.021 13.392 119 HE3 LYS 19 2HE LYS 19 -6.928 -3.718 13.037 120 HZ1 LYS 19 3HZ LYS 19 -4.757 -3.197 12.265 121 HZ2 LYS 19 1HZ LYS 19 -5.300 -1.827 11.432 122 HZ3 LYS 19 2HZ LYS 19 -5.739 -3.371 10.898 123 H ASP 20 H ASP 20 -11.424 -5.370 9.123 124 HA ASP 20 HA ASP 20 -13.170 -5.037 7.004 125 HB2 ASP 20 1HB ASP 20 -14.826 -6.122 8.337 126 HB3 ASP 20 2HB ASP 20 -13.272 -6.804 8.808 127 H CYS 21 H CYS 21 -15.063 -3.830 6.692 128 HA CYS 21 HA CYS 21 -15.807 -1.754 8.540 129 HB2 CYS 21 1HB CYS 21 -14.185 -1.168 6.115 130 HB3 CYS 21 2HB CYS 21 -15.510 -0.071 6.482 131 HG CYS 21 HG CYS 21 -14.531 0.420 9.125 132 H ALA 22 H ALA 22 -17.835 -0.890 8.115 133 HA ALA 22 HA ALA 22 -19.295 -2.188 5.908 134 HB1 ALA 22 3HB ALA 22 -21.120 -2.483 7.245 135 HB2 ALA 22 1HB ALA 22 -19.845 -2.586 8.460 136 HB3 ALA 22 2HB ALA 22 -20.748 -1.084 8.253 137 H VAL 23 H VAL 23 -20.516 -0.972 4.543 138 HA VAL 23 HA VAL 23 -20.865 1.878 5.106 139 HB VAL 23 HB VAL 23 -18.759 1.398 3.678 140 HG11 VAL 23 1HG1 VAL 23 -18.958 0.696 1.530 141 HG12 VAL 23 2HG1 VAL 23 -20.379 -0.117 2.188 142 HG13 VAL 23 3HG1 VAL 23 -20.556 1.412 1.327 143 HG21 VAL 23 3HG2 VAL 23 -20.925 3.367 3.026 144 HG22 VAL 23 1HG2 VAL 23 -19.413 3.625 3.896 145 HG23 VAL 23 2HG2 VAL 23 -19.393 3.370 2.151 146 H ILE 24 H ILE 24 -22.574 2.862 3.974 147 HA ILE 24 HA ILE 24 -24.689 1.049 3.251 148 HB ILE 24 HB ILE 24 -24.709 4.059 3.046 149 HG12 ILE 24 1HG1 ILE 24 -24.061 3.242 5.323 150 HG13 ILE 24 2HG1 ILE 24 -25.578 4.134 5.291 151 HG21 ILE 24 1HG2 ILE 24 -26.830 1.939 3.070 152 HG22 ILE 24 2HG2 ILE 24 -27.189 3.609 3.506 153 HG23 ILE 24 3HG2 ILE 24 -26.569 3.232 1.899 154 HD11 ILE 24 3HD1 ILE 24 -26.743 2.387 6.028 155 HD12 ILE 24 1HD1 ILE 24 -25.919 1.263 4.948 156 HD13 ILE 24 2HD1 ILE 24 -25.178 1.715 6.484 157 H GLU 25 H GLU 25 -25.916 1.213 1.257 158 HA GLU 25 HA GLU 25 -24.254 1.096 -1.032 159 HB2 GLU 25 1HB GLU 25 -26.257 -0.258 -0.894 160 HB3 GLU 25 2HB GLU 25 -27.263 1.178 -0.772 161 HG2 GLU 25 1HG GLU 25 -25.523 0.876 -3.159 162 HG3 GLU 25 2HG GLU 25 -26.971 -0.121 -3.040 163 H GLY 26 H GLY 26 -23.819 2.553 -2.601 164 HA2 GLY 26 1HA GLY 26 -24.036 4.499 -3.868 165 HA3 GLY 26 2HA GLY 26 -25.364 4.998 -2.831 166 H GLN 27 H GLN 27 -23.047 4.127 -0.733 167 HA GLN 27 HA GLN 27 -22.251 6.888 -0.303 168 HB2 GLN 27 1HB GLN 27 -22.023 4.366 1.319 169 HB3 GLN 27 2HB GLN 27 -21.145 5.821 1.771 170 HG2 GLN 27 1HG GLN 27 -24.130 5.646 1.437 171 HG3 GLN 27 2HG GLN 27 -23.274 5.556 2.975 172 HE21 GLN 27 1HE2 GLN 27 -25.062 7.425 2.940 173 HE22 GLN 27 2HE2 GLN 27 -24.389 8.999 2.706 174 H ASP 28 H ASP 28 -19.895 7.122 0.569 175 HA ASP 28 HA ASP 28 -18.121 5.856 -1.411 176 HB2 ASP 28 1HB ASP 28 -17.612 8.453 0.043 177 HB3 ASP 28 2HB ASP 28 -16.758 7.820 -1.362 178 H PHE 29 H PHE 29 -16.125 5.054 -0.775 179 HA PHE 29 HA PHE 29 -15.278 5.214 1.977 180 HB2 PHE 29 1HB PHE 29 -15.610 3.021 2.641 181 HB3 PHE 29 2HB PHE 29 -17.064 3.314 1.693 182 HD1 PHE 29 HD2 PHE 29 -13.749 1.708 1.675 183 HD2 PHE 29 HD1 PHE 29 -17.496 2.115 -0.303 184 HE1 PHE 29 HE2 PHE 29 -13.205 -0.225 0.253 185 HE2 PHE 29 HE1 PHE 29 -16.959 0.182 -1.727 186 HZ PHE 29 HZ PHE 29 -14.810 -0.990 -1.450 187 H VAL 30 H VAL 30 -13.126 5.201 2.051 188 HA VAL 30 HA VAL 30 -11.664 4.045 -0.234 189 HB VAL 30 HB VAL 30 -11.467 6.463 -0.254 190 HG11 VAL 30 1HG1 VAL 30 -10.134 6.374 2.432 191 HG12 VAL 30 2HG1 VAL 30 -10.749 7.771 1.545 192 HG13 VAL 30 3HG1 VAL 30 -11.873 6.622 2.273 193 HG21 VAL 30 3HG2 VAL 30 -9.376 6.207 -0.960 194 HG22 VAL 30 1HG2 VAL 30 -8.797 6.111 0.703 195 HG23 VAL 30 2HG2 VAL 30 -9.312 4.649 -0.138 196 H LEU 31 H LEU 31 -10.435 2.365 0.267 197 HA LEU 31 HA LEU 31 -9.962 1.593 2.976 198 HB2 LEU 31 1HB LEU 31 -9.053 0.512 0.326 199 HB3 LEU 31 2HB LEU 31 -8.519 -0.183 1.855 200 HG LEU 31 HG LEU 31 -11.429 0.051 1.134 201 HD11 LEU 31 1HD1 LEU 31 -10.361 -2.607 0.864 202 HD12 LEU 31 2HD1 LEU 31 -9.563 -1.496 -0.248 203 HD13 LEU 31 3HD1 LEU 31 -11.318 -1.659 -0.274 204 HD21 LEU 31 3HD2 LEU 31 -10.365 -0.443 3.514 205 HD22 LEU 31 1HD2 LEU 31 -10.275 -2.075 2.851 206 HD23 LEU 31 2HD2 LEU 31 -11.831 -1.252 2.956 207 H GLN 32 H GLN 32 -8.489 2.525 4.225 208 HA GLN 32 HA GLN 32 -6.039 3.578 3.001 209 HB2 GLN 32 1HB GLN 32 -7.370 5.163 4.330 210 HB3 GLN 32 2HB GLN 32 -7.224 4.111 5.731 211 HG2 GLN 32 1HG GLN 32 -4.741 5.061 4.403 212 HG3 GLN 32 2HG GLN 32 -5.654 6.189 5.404 213 HE21 GLN 32 1HE2 GLN 32 -3.195 5.683 6.212 214 HE22 GLN 32 2HE2 GLN 32 -3.173 4.636 7.586 215 H CYS 33 H CYS 33 -4.043 2.864 3.573 216 HA CYS 33 HA CYS 33 -3.695 1.096 5.840 217 HB2 CYS 33 1HB CYS 33 -2.760 -0.746 4.535 218 HB3 CYS 33 2HB CYS 33 -4.428 -0.443 4.064 219 HG CYS 33 HG CYS 33 -3.999 0.218 1.580 220 H SER 34 H SER 34 -1.407 0.547 6.197 221 HA SER 34 HA SER 34 0.355 2.641 5.104 222 HB2 SER 34 1HB SER 34 0.381 1.297 7.814 223 HB3 SER 34 2HB SER 34 1.654 2.372 7.237 224 HG SER 34 HG SER 34 -1.086 3.058 7.525 225 H VAL 35 H VAL 35 1.839 1.908 3.749 226 HA VAL 35 HA VAL 35 2.983 -0.768 4.216 227 HB VAL 35 HB VAL 35 2.458 0.479 1.514 228 HG11 VAL 35 1HG1 VAL 35 4.065 -1.780 2.416 229 HG12 VAL 35 2HG1 VAL 35 2.903 -2.207 1.158 230 HG13 VAL 35 3HG1 VAL 35 4.079 -0.922 0.876 231 HG21 VAL 35 3HG2 VAL 35 0.449 -0.483 1.480 232 HG22 VAL 35 1HG2 VAL 35 1.104 -2.017 2.055 233 HG23 VAL 35 2HG2 VAL 35 0.639 -0.768 3.210 234 H ARG 36 H ARG 36 5.125 -0.816 4.412 235 HA ARG 36 HA ARG 36 6.648 1.558 3.566 236 HB2 ARG 36 1HB ARG 36 6.913 -0.297 5.897 237 HB3 ARG 36 2HB ARG 36 8.350 0.504 5.275 238 HG2 ARG 36 1HG ARG 36 7.394 2.666 5.690 239 HG3 ARG 36 2HG ARG 36 5.853 1.938 6.150 240 HD2 ARG 36 1HD ARG 36 8.486 1.635 7.590 241 HD3 ARG 36 2HD ARG 36 7.105 2.592 8.124 242 HE ARG 36 HE ARG 36 6.292 -0.071 7.743 243 HH11 ARG 36 2HH1 ARG 36 8.252 1.865 9.872 244 HH12 ARG 36 1HH1 ARG 36 8.017 0.830 11.242 245 HH21 ARG 36 2HH2 ARG 36 5.975 -1.441 9.539 246 HH22 ARG 36 1HH2 ARG 36 6.722 -1.050 11.051 247 H GLY 37 H GLY 37 9.085 0.947 3.262 248 HA2 GLY 37 1HA GLY 37 10.326 -1.232 2.572 249 HA3 GLY 37 2HA GLY 37 9.110 -1.241 1.302 250 H THR 38 H THR 38 11.786 -1.210 0.678 251 HA THR 38 HA THR 38 11.944 1.207 -0.881 252 HB THR 38 HB THR 38 13.903 0.698 1.350 253 HG1 THR 38 HG1 THR 38 13.028 2.471 2.107 254 HG21 THR 38 3HG2 THR 38 14.480 1.642 -1.315 255 HG22 THR 38 1HG2 THR 38 15.584 1.325 0.023 256 HG23 THR 38 2HG2 THR 38 14.801 2.899 -0.122 257 HA PRO 39 HA PRO 39 12.684 1.936 -2.576 258 HB2 PRO 39 1HB PRO 39 11.962 1.344 -5.126 259 HB3 PRO 39 2HB PRO 39 13.614 1.782 -4.672 260 HG2 PRO 39 1HG PRO 39 12.433 -0.929 -5.139 261 HG3 PRO 39 2HG PRO 39 14.000 -0.286 -5.664 262 HD2 PRO 39 1HD PRO 39 13.739 -1.912 -3.514 263 HD3 PRO 39 2HD PRO 39 14.977 -0.643 -3.607 264 H VAL 40 H VAL 40 10.546 2.688 -3.203 265 HA VAL 40 HA VAL 40 8.455 1.534 -1.875 266 HB VAL 40 HB VAL 40 8.256 3.185 -4.398 267 HG11 VAL 40 1HG1 VAL 40 6.071 3.723 -2.781 268 HG12 VAL 40 2HG1 VAL 40 6.071 2.771 -4.266 269 HG13 VAL 40 3HG1 VAL 40 6.245 1.970 -2.704 270 HG21 VAL 40 3HG2 VAL 40 9.448 4.500 -2.891 271 HG22 VAL 40 1HG2 VAL 40 7.776 4.995 -2.625 272 HG23 VAL 40 2HG2 VAL 40 8.558 3.885 -1.499 273 HA PRO 41 HA PRO 41 7.626 -2.114 -4.290 274 HB2 PRO 41 1HB PRO 41 5.485 -2.934 -2.836 275 HB3 PRO 41 2HB PRO 41 7.154 -3.139 -2.289 276 HG2 PRO 41 1HG PRO 41 5.157 -1.040 -1.535 277 HG3 PRO 41 2HG PRO 41 6.285 -1.934 -0.499 278 HD2 PRO 41 1HD PRO 41 6.769 0.595 -1.336 279 HD3 PRO 41 2HD PRO 41 8.067 -0.584 -1.060 280 H ARG 42 H ARG 42 5.827 -2.994 -5.536 281 HA ARG 42 HA ARG 42 4.335 -0.911 -6.832 282 HB2 ARG 42 1HB ARG 42 4.692 -3.853 -7.253 283 HB3 ARG 42 2HB ARG 42 3.363 -3.024 -8.053 284 HG2 ARG 42 1HG ARG 42 4.946 -2.840 -9.668 285 HG3 ARG 42 2HG ARG 42 5.293 -1.366 -8.762 286 HD2 ARG 42 1HD ARG 42 7.000 -2.660 -7.473 287 HD3 ARG 42 2HD ARG 42 6.728 -4.009 -8.575 288 HE ARG 42 HE ARG 42 7.302 -1.950 -10.237 289 HH11 ARG 42 2HH1 ARG 42 8.890 -3.296 -7.446 290 HH12 ARG 42 1HH1 ARG 42 10.481 -2.875 -7.987 291 HH21 ARG 42 2HH2 ARG 42 9.392 -1.391 -10.959 292 HH22 ARG 42 1HH2 ARG 42 10.766 -1.791 -9.985 293 H ILE 43 H ILE 43 2.307 -0.296 -6.448 294 HA ILE 43 HA ILE 43 0.751 -1.804 -4.477 295 HB ILE 43 HB ILE 43 0.211 0.966 -5.546 296 HG12 ILE 43 1HG1 ILE 43 2.352 0.958 -4.398 297 HG13 ILE 43 2HG1 ILE 43 1.151 1.755 -3.388 298 HG21 ILE 43 1HG2 ILE 43 -1.369 -0.802 -4.044 299 HG22 ILE 43 2HG2 ILE 43 -0.798 0.428 -2.918 300 HG23 ILE 43 3HG2 ILE 43 -1.673 0.904 -4.373 301 HD11 ILE 43 3HD1 ILE 43 2.576 -0.807 -2.987 302 HD12 ILE 43 1HD1 ILE 43 2.151 0.452 -1.828 303 HD13 ILE 43 2HD1 ILE 43 0.922 -0.683 -2.389 304 H THR 44 H THR 44 -0.567 -3.270 -5.335 305 HA THR 44 HA THR 44 -2.244 -2.462 -7.614 306 HB THR 44 HB THR 44 -1.002 -5.195 -7.241 307 HG1 THR 44 HG1 THR 44 -0.577 -3.410 -9.403 308 HG21 THR 44 3HG2 THR 44 -2.545 -4.254 -9.638 309 HG22 THR 44 1HG2 THR 44 -3.359 -4.999 -8.263 310 HG23 THR 44 2HG2 THR 44 -2.138 -5.902 -9.160 311 H TRP 45 H TRP 45 -4.291 -2.424 -6.981 312 HA TRP 45 HA TRP 45 -5.153 -4.052 -4.726 313 HB2 TRP 45 1HB TRP 45 -6.595 -1.903 -6.294 314 HB3 TRP 45 2HB TRP 45 -7.247 -2.728 -4.882 315 HD1 TRP 45 HD1 TRP 45 -4.331 -0.367 -5.823 316 HE1 TRP 45 HE1 TRP 45 -3.716 1.011 -3.738 317 HE3 TRP 45 HE3 TRP 45 -7.448 -2.590 -2.434 318 HZ2 TRP 45 HZ2 TRP 45 -4.455 1.138 -1.016 319 HZ3 TRP 45 HZ3 TRP 45 -7.432 -1.781 -0.110 320 HH2 TRP 45 HH2 TRP 45 -5.966 0.044 0.582 321 H LEU 46 H LEU 46 -6.134 -5.942 -4.972 322 HA LEU 46 HA LEU 46 -7.350 -6.562 -7.582 323 HB2 LEU 46 1HB LEU 46 -6.405 -8.552 -5.534 324 HB3 LEU 46 2HB LEU 46 -6.850 -8.856 -7.212 325 HG LEU 46 HG LEU 46 -4.535 -7.066 -6.635 326 HD11 LEU 46 1HD1 LEU 46 -3.077 -9.104 -6.692 327 HD12 LEU 46 2HD1 LEU 46 -4.528 -10.068 -6.420 328 HD13 LEU 46 3HD1 LEU 46 -4.010 -8.894 -5.210 329 HD21 LEU 46 3HD2 LEU 46 -5.563 -8.734 -8.860 330 HD22 LEU 46 1HD2 LEU 46 -3.814 -8.563 -8.708 331 HD23 LEU 46 2HD2 LEU 46 -4.827 -7.131 -8.888 332 H LEU 47 H LEU 47 -9.470 -6.922 -7.663 333 HA LEU 47 HA LEU 47 -10.929 -7.179 -5.127 334 HB2 LEU 47 1HB LEU 47 -11.588 -5.274 -6.435 335 HB3 LEU 47 2HB LEU 47 -11.818 -6.282 -7.862 336 HG LEU 47 HG LEU 47 -13.722 -7.381 -6.758 337 HD11 LEU 47 1HD1 LEU 47 -14.247 -5.507 -4.692 338 HD12 LEU 47 2HD1 LEU 47 -12.630 -6.164 -4.443 339 HD13 LEU 47 3HD1 LEU 47 -14.013 -7.251 -4.567 340 HD21 LEU 47 3HD2 LEU 47 -15.124 -5.170 -6.570 341 HD22 LEU 47 1HD2 LEU 47 -14.486 -5.707 -8.124 342 HD23 LEU 47 2HD2 LEU 47 -13.657 -4.438 -7.222 343 H ASN 48 H ASN 48 -11.175 -9.279 -4.650 344 HA ASN 48 HA ASN 48 -11.973 -11.409 -4.761 345 HB2 ASN 48 1HB ASN 48 -13.252 -10.607 -7.382 346 HB3 ASN 48 2HB ASN 48 -13.704 -11.961 -6.349 347 HD21 ASN 48 1HD2 ASN 48 -14.899 -9.253 -7.335 348 HD22 ASN 48 2HD2 ASN 48 -15.668 -8.648 -5.911 349 H GLY 49 H GLY 49 -9.390 -10.872 -5.681 350 HA2 GLY 49 1HA GLY 49 -7.740 -12.255 -6.577 351 HA3 GLY 49 2HA GLY 49 -8.993 -13.188 -7.382 352 H GLN 50 H GLN 50 -10.206 -10.778 -8.570 353 HA GLN 50 HA GLN 50 -8.422 -10.598 -10.857 354 HB2 GLN 50 1HB GLN 50 -11.272 -9.738 -10.387 355 HB3 GLN 50 2HB GLN 50 -10.394 -9.331 -11.855 356 HG2 GLN 50 1HG GLN 50 -11.000 -12.103 -10.853 357 HG3 GLN 50 2HG GLN 50 -11.785 -11.278 -12.199 358 HE21 GLN 50 1HE2 GLN 50 -10.602 -10.914 -14.109 359 HE22 GLN 50 2HE2 GLN 50 -9.207 -11.858 -14.493 360 HA PRO 51 HA PRO 51 -6.795 -6.646 -9.794 361 HB2 PRO 51 1HB PRO 51 -6.005 -5.848 -12.266 362 HB3 PRO 51 2HB PRO 51 -5.147 -7.082 -11.335 363 HG2 PRO 51 1HG PRO 51 -7.129 -7.420 -13.553 364 HG3 PRO 51 2HG PRO 51 -5.605 -8.282 -13.274 365 HD2 PRO 51 1HD PRO 51 -8.015 -9.338 -12.634 366 HD3 PRO 51 2HD PRO 51 -6.543 -9.688 -11.706 367 H ILE 52 H ILE 52 -7.508 -4.579 -9.647 368 HA ILE 52 HA ILE 52 -10.082 -3.949 -10.760 369 HB ILE 52 HB ILE 52 -8.212 -2.230 -9.126 370 HG12 ILE 52 1HG1 ILE 52 -10.670 -3.770 -8.266 371 HG13 ILE 52 2HG1 ILE 52 -9.016 -4.311 -8.003 372 HG21 ILE 52 1HG2 ILE 52 -9.719 -0.823 -10.332 373 HG22 ILE 52 2HG2 ILE 52 -11.091 -1.851 -9.923 374 HG23 ILE 52 3HG2 ILE 52 -10.284 -0.915 -8.664 375 HD11 ILE 52 3HD1 ILE 52 -10.563 -2.750 -6.312 376 HD12 ILE 52 1HD1 ILE 52 -8.835 -3.078 -6.175 377 HD13 ILE 52 2HD1 ILE 52 -9.395 -1.633 -7.018 378 H GLN 53 H GLN 53 -10.584 -2.513 -12.349 379 HA GLN 53 HA GLN 53 -8.367 -1.632 -14.036 380 HB2 GLN 53 1HB GLN 53 -9.967 -1.388 -15.793 381 HB3 GLN 53 2HB GLN 53 -10.296 -2.921 -14.997 382 HG2 GLN 53 1HG GLN 53 -12.036 -1.630 -13.640 383 HG3 GLN 53 2HG GLN 53 -11.849 -0.366 -14.854 384 HE21 GLN 53 1HE2 GLN 53 -13.440 -3.191 -14.032 385 HE22 GLN 53 2HE2 GLN 53 -14.156 -3.544 -15.564 386 H TYR 54 H TYR 54 -11.046 -0.374 -12.154 387 HA TYR 54 HA TYR 54 -10.229 2.365 -12.844 388 HB2 TYR 54 1HB TYR 54 -12.500 2.846 -11.600 389 HB3 TYR 54 2HB TYR 54 -12.495 2.316 -13.278 390 HD1 TYR 54 HD1 TYR 54 -12.716 0.968 -9.806 391 HD2 TYR 54 HD2 TYR 54 -13.775 0.480 -13.898 392 HE1 TYR 54 HE1 TYR 54 -14.153 -0.934 -9.201 393 HE2 TYR 54 HE2 TYR 54 -15.216 -1.423 -13.304 394 HH TYR 54 HH TYR 54 -15.769 -2.873 -11.669 395 H ALA 55 H ALA 55 -8.532 1.103 -11.145 396 HA ALA 55 HA ALA 55 -9.268 1.865 -8.422 397 HB1 ALA 55 3HB ALA 55 -7.812 -0.253 -9.441 398 HB2 ALA 55 1HB ALA 55 -6.585 0.811 -8.751 399 HB3 ALA 55 2HB ALA 55 -7.915 0.229 -7.747 400 H ARG 56 H ARG 56 -9.110 4.057 -8.279 401 HA ARG 56 HA ARG 56 -6.683 5.370 -9.243 402 HB2 ARG 56 1HB ARG 56 -9.417 6.276 -8.489 403 HB3 ARG 56 2HB ARG 56 -8.093 7.413 -8.274 404 HG2 ARG 56 1HG ARG 56 -7.492 7.105 -10.651 405 HG3 ARG 56 2HG ARG 56 -8.902 6.060 -10.838 406 HD2 ARG 56 1HD ARG 56 -9.391 8.323 -11.593 407 HD3 ARG 56 2HD ARG 56 -10.359 7.910 -10.179 408 HE ARG 56 HE ARG 56 -8.266 9.905 -10.342 409 HH11 ARG 56 2HH1 ARG 56 -10.304 7.966 -8.290 410 HH12 ARG 56 1HH1 ARG 56 -10.137 9.010 -6.917 411 HH21 ARG 56 2HH2 ARG 56 -8.039 11.287 -8.542 412 HH22 ARG 56 1HH2 ARG 56 -8.849 10.899 -7.062 413 H SER 57 H SER 57 -5.884 3.829 -7.294 414 HA SER 57 HA SER 57 -6.124 5.020 -4.691 415 HB2 SER 57 1HB SER 57 -5.808 2.674 -4.682 416 HB3 SER 57 2HB SER 57 -4.455 2.771 -5.809 417 HG SER 57 HG SER 57 -4.380 2.792 -3.161 418 H THR 58 H THR 58 -4.391 5.926 -3.465 419 HA THR 58 HA THR 58 -2.137 6.965 -5.033 420 HB THR 58 HB THR 58 -2.435 9.144 -3.679 421 HG1 THR 58 HG1 THR 58 -4.900 9.394 -3.463 422 HG21 THR 58 3HG2 THR 58 -3.405 10.117 -5.507 423 HG22 THR 58 1HG2 THR 58 -4.644 8.872 -5.651 424 HG23 THR 58 2HG2 THR 58 -3.001 8.549 -6.204 425 H CYS 59 H CYS 59 -0.286 6.503 -4.058 426 HA CYS 59 HA CYS 59 -0.299 5.811 -1.220 427 HB2 CYS 59 1HB CYS 59 2.053 5.017 -1.721 428 HB3 CYS 59 2HB CYS 59 0.768 4.167 -2.572 429 HG CYS 59 HG CYS 59 3.157 4.653 -4.147 430 H GLU 60 H GLU 60 0.264 7.262 0.248 431 HA GLU 60 HA GLU 60 2.033 9.473 -0.566 432 HB2 GLU 60 1HB GLU 60 -0.346 9.357 1.231 433 HB3 GLU 60 2HB GLU 60 0.930 10.506 1.612 434 HG2 GLU 60 1HG GLU 60 -0.359 11.828 0.306 435 HG3 GLU 60 2HG GLU 60 0.649 11.107 -0.948 436 H ALA 61 H ALA 61 3.992 8.570 -0.033 437 HA ALA 61 HA ALA 61 5.777 8.202 1.346 438 HB1 ALA 61 3HB ALA 61 4.527 8.353 3.937 439 HB2 ALA 61 1HB ALA 61 5.763 9.390 3.223 440 HB3 ALA 61 2HB ALA 61 4.055 9.722 2.929 441 H GLY 62 H GLY 62 3.775 6.153 0.528 442 HA2 GLY 62 1HA GLY 62 4.246 3.800 0.790 443 HA3 GLY 62 2HA GLY 62 4.577 4.104 2.489 444 H VAL 63 H VAL 63 2.188 5.846 2.726 445 HA VAL 63 HA VAL 63 0.336 3.821 3.488 446 HB VAL 63 HB VAL 63 0.533 5.961 4.702 447 HG11 VAL 63 1HG1 VAL 63 0.388 7.091 2.166 448 HG12 VAL 63 2HG1 VAL 63 -1.136 7.532 2.939 449 HG13 VAL 63 3HG1 VAL 63 0.397 7.948 3.707 450 HG21 VAL 63 3HG2 VAL 63 -2.041 6.468 4.607 451 HG22 VAL 63 1HG2 VAL 63 -2.071 5.023 3.596 452 HG23 VAL 63 2HG2 VAL 63 -1.450 4.934 5.244 453 H ALA 64 H ALA 64 -0.284 2.667 1.671 454 HA ALA 64 HA ALA 64 -1.293 3.945 -0.685 455 HB1 ALA 64 3HB ALA 64 -0.380 1.412 -0.067 456 HB2 ALA 64 1HB ALA 64 -2.105 1.179 -0.355 457 HB3 ALA 64 2HB ALA 64 -1.096 1.922 -1.596 458 H GLU 65 H GLU 65 -3.340 4.455 -1.219 459 HA GLU 65 HA GLU 65 -5.532 3.487 0.469 460 HB2 GLU 65 1HB GLU 65 -5.284 6.387 -0.328 461 HB3 GLU 65 2HB GLU 65 -6.466 5.670 0.758 462 HG2 GLU 65 1HG GLU 65 -4.503 5.056 2.245 463 HG3 GLU 65 2HG GLU 65 -3.544 6.139 1.238 464 H LEU 66 H LEU 66 -7.324 2.959 -0.639 465 HA LEU 66 HA LEU 66 -7.384 3.630 -3.506 466 HB2 LEU 66 1HB LEU 66 -7.173 1.298 -3.296 467 HB3 LEU 66 2HB LEU 66 -8.345 1.229 -1.982 468 HG LEU 66 HG LEU 66 -9.973 2.095 -3.892 469 HD11 LEU 66 1HD1 LEU 66 -9.175 0.556 -5.915 470 HD12 LEU 66 2HD1 LEU 66 -7.594 1.044 -5.305 471 HD13 LEU 66 3HD1 LEU 66 -8.763 2.267 -5.801 472 HD21 LEU 66 3HD2 LEU 66 -9.436 -0.341 -2.619 473 HD22 LEU 66 1HD2 LEU 66 -9.614 -0.721 -4.333 474 HD23 LEU 66 2HD2 LEU 66 -10.906 0.123 -3.478 475 H HIS 67 H HIS 67 -8.677 5.359 -3.718 476 HA HIS 67 HA HIS 67 -10.985 5.779 -2.067 477 HB2 HIS 67 1HB HIS 67 -9.996 7.213 -4.538 478 HB3 HIS 67 2HB HIS 67 -11.378 7.733 -3.580 479 HD1 HIS 67 HD1 HIS 67 -10.905 8.942 -1.387 480 HD2 HIS 67 HD2 HIS 67 -7.475 7.575 -3.291 481 HE1 HIS 67 HE1 HIS 67 -8.986 10.022 -0.172 482 HE2 HIS 67 HE2 HIS 67 -6.926 9.247 -1.395 483 H ILE 68 H ILE 68 -12.856 4.774 -2.335 484 HA ILE 68 HA ILE 68 -13.666 4.015 -5.066 485 HB ILE 68 HB ILE 68 -14.237 2.586 -2.469 486 HG12 ILE 68 1HG1 ILE 68 -12.018 2.138 -3.395 487 HG13 ILE 68 2HG1 ILE 68 -13.047 0.718 -3.551 488 HG21 ILE 68 1HG2 ILE 68 -15.707 2.628 -4.962 489 HG22 ILE 68 2HG2 ILE 68 -15.143 1.007 -4.560 490 HG23 ILE 68 3HG2 ILE 68 -16.136 1.905 -3.412 491 HD11 ILE 68 3HD1 ILE 68 -11.854 0.913 -5.570 492 HD12 ILE 68 1HD1 ILE 68 -13.496 1.456 -5.916 493 HD13 ILE 68 2HD1 ILE 68 -12.204 2.637 -5.698 494 H GLN 69 H GLN 69 -15.284 5.230 -5.768 495 HA GLN 69 HA GLN 69 -17.151 6.394 -3.831 496 HB2 GLN 69 1HB GLN 69 -17.716 8.003 -5.511 497 HB3 GLN 69 2HB GLN 69 -15.962 7.887 -5.451 498 HG2 GLN 69 1HG GLN 69 -16.000 6.433 -7.422 499 HG3 GLN 69 2HG GLN 69 -17.755 6.586 -7.489 500 HE21 GLN 69 1HE2 GLN 69 -14.809 7.876 -8.468 501 HE22 GLN 69 2HE2 GLN 69 -15.392 9.350 -9.154 502 H ASP 70 H ASP 70 -19.449 6.507 -4.451 503 HA ASP 70 HA ASP 70 -21.405 5.395 -4.825 504 HB2 ASP 70 1HB ASP 70 -20.440 6.079 -7.194 505 HB3 ASP 70 2HB ASP 70 -20.321 4.333 -7.398 506 H ALA 71 H ALA 71 -19.994 3.948 -3.123 507 HA ALA 71 HA ALA 71 -19.188 1.381 -3.820 508 HB1 ALA 71 3HB ALA 71 -19.026 2.653 -1.566 509 HB2 ALA 71 1HB ALA 71 -20.579 1.892 -1.222 510 HB3 ALA 71 2HB ALA 71 -19.163 0.895 -1.558 511 H LEU 72 H LEU 72 -20.542 0.383 -5.287 512 HA LEU 72 HA LEU 72 -23.359 0.103 -4.795 513 HB2 LEU 72 1HB LEU 72 -21.498 -1.092 -6.834 514 HB3 LEU 72 2HB LEU 72 -23.218 -1.471 -6.766 515 HG LEU 72 HG LEU 72 -22.132 1.312 -7.164 516 HD11 LEU 72 1HD1 LEU 72 -21.548 0.611 -9.202 517 HD12 LEU 72 2HD1 LEU 72 -23.279 0.555 -9.530 518 HD13 LEU 72 3HD1 LEU 72 -22.428 -0.908 -9.034 519 HD21 LEU 72 3HD2 LEU 72 -24.871 0.247 -7.793 520 HD22 LEU 72 1HD2 LEU 72 -24.341 1.926 -7.693 521 HD23 LEU 72 2HD2 LEU 72 -24.465 0.952 -6.228 522 HA PRO 73 HA PRO 73 -23.410 -3.608 -2.450 523 HB2 PRO 73 1HB PRO 73 -25.655 -4.806 -3.396 524 HB3 PRO 73 2HB PRO 73 -25.694 -3.378 -2.354 525 HG2 PRO 73 1HG PRO 73 -25.969 -3.560 -5.329 526 HG3 PRO 73 2HG PRO 73 -26.897 -2.582 -4.177 527 HD2 PRO 73 1HD PRO 73 -24.888 -1.554 -5.674 528 HD3 PRO 73 2HD PRO 73 -25.263 -0.962 -4.042 529 H GLU 74 H GLU 74 -22.633 -3.578 -5.655 530 HA GLU 74 HA GLU 74 -22.298 -6.505 -5.753 531 HB2 GLU 74 1HB GLU 74 -22.294 -6.319 -8.193 532 HB3 GLU 74 2HB GLU 74 -23.780 -5.672 -7.513 533 HG2 GLU 74 1HG GLU 74 -23.064 -3.434 -7.867 534 HG3 GLU 74 2HG GLU 74 -21.436 -3.961 -8.293 535 H ASP 75 H ASP 75 -20.635 -3.879 -4.983 536 HA ASP 75 HA ASP 75 -18.211 -4.516 -6.490 537 HB2 ASP 75 1HB ASP 75 -19.070 -2.122 -6.118 538 HB3 ASP 75 2HB ASP 75 -18.497 -2.308 -4.462 539 H HIS 76 H HIS 76 -19.562 -4.659 -3.271 540 HA HIS 76 HA HIS 76 -17.378 -4.991 -1.663 541 HB2 HIS 76 1HB HIS 76 -18.789 -5.957 -0.108 542 HB3 HIS 76 2HB HIS 76 -19.953 -5.162 -1.165 543 HD1 HIS 76 HD1 HIS 76 -20.126 -7.233 -3.421 544 HD2 HIS 76 HD2 HIS 76 -20.153 -8.193 0.621 545 HE1 HIS 76 HE1 HIS 76 -21.248 -9.479 -3.271 546 HE2 HIS 76 HE2 HIS 76 -21.329 -10.000 -0.808 547 H GLY 77 H GLY 77 -16.091 -6.730 -0.988 548 HA2 GLY 77 1HA GLY 77 -16.258 -9.369 -1.844 549 HA3 GLY 77 2HA GLY 77 -15.303 -8.515 -3.046 550 H THR 78 H THR 78 -13.262 -9.134 -2.720 551 HA THR 78 HA THR 78 -12.156 -8.796 -0.012 552 HB THR 78 HB THR 78 -11.266 -10.967 -1.913 553 HG1 THR 78 HG1 THR 78 -12.679 -12.294 -0.977 554 HG21 THR 78 3HG2 THR 78 -10.148 -11.873 0.049 555 HG22 THR 78 1HG2 THR 78 -10.785 -10.564 1.043 556 HG23 THR 78 2HG2 THR 78 -9.621 -10.215 -0.236 557 H TYR 79 H TYR 79 -11.045 -6.935 -0.288 558 HA TYR 79 HA TYR 79 -9.492 -6.468 -2.688 559 HB2 TYR 79 1HB TYR 79 -9.901 -4.828 -0.183 560 HB3 TYR 79 2HB TYR 79 -8.906 -4.311 -1.539 561 HD1 TYR 79 HD2 TYR 79 -12.360 -5.123 -0.502 562 HD2 TYR 79 HD1 TYR 79 -9.884 -3.396 -3.501 563 HE1 TYR 79 HE2 TYR 79 -14.351 -4.182 -1.597 564 HE2 TYR 79 HE1 TYR 79 -11.869 -2.450 -4.603 565 HH TYR 79 HH TYR 79 -15.134 -3.082 -3.365 566 H THR 80 H THR 80 -7.562 -7.371 -2.903 567 HA THR 80 HA THR 80 -5.887 -7.722 -0.505 568 HB THR 80 HB THR 80 -5.784 -9.240 -3.120 569 HG1 THR 80 HG1 THR 80 -7.545 -9.756 -1.654 570 HG21 THR 80 3HG2 THR 80 -4.271 -9.886 -0.603 571 HG22 THR 80 1HG2 THR 80 -3.591 -8.855 -1.861 572 HG23 THR 80 2HG2 THR 80 -4.025 -10.524 -2.228 573 H CYS 81 H CYS 81 -4.505 -6.068 -0.365 574 HA CYS 81 HA CYS 81 -3.465 -4.769 -2.730 575 HB2 CYS 81 1HB CYS 81 -4.092 -3.501 -0.673 576 HB3 CYS 81 2HB CYS 81 -2.762 -4.284 0.171 577 HG CYS 81 HG CYS 81 -2.504 -2.092 -2.441 578 H LEU 82 H LEU 82 -1.824 -5.624 -3.810 579 HA LEU 82 HA LEU 82 0.120 -7.299 -2.411 580 HB2 LEU 82 1HB LEU 82 -0.705 -8.340 -4.347 581 HB3 LEU 82 2HB LEU 82 -0.555 -6.867 -5.303 582 HG LEU 82 HG LEU 82 1.859 -7.095 -5.331 583 HD11 LEU 82 1HD1 LEU 82 2.722 -8.086 -3.511 584 HD12 LEU 82 2HD1 LEU 82 2.516 -9.567 -4.445 585 HD13 LEU 82 3HD1 LEU 82 1.300 -9.097 -3.257 586 HD21 LEU 82 3HD2 LEU 82 1.426 -9.805 -6.120 587 HD22 LEU 82 1HD2 LEU 82 1.626 -8.372 -7.128 588 HD23 LEU 82 2HD2 LEU 82 0.020 -8.838 -6.568 589 H ALA 83 H ALA 83 2.085 -6.601 -1.895 590 HA ALA 83 HA ALA 83 3.196 -4.292 -3.340 591 HB1 ALA 83 3HB ALA 83 3.184 -4.674 -0.349 592 HB2 ALA 83 1HB ALA 83 4.083 -3.422 -1.206 593 HB3 ALA 83 2HB ALA 83 2.320 -3.436 -1.260 594 H GLU 84 H GLU 84 4.796 -5.265 -4.453 595 HA GLU 84 HA GLU 84 6.821 -6.714 -2.887 596 HB2 GLU 84 1HB GLU 84 7.095 -8.365 -4.573 597 HB3 GLU 84 2HB GLU 84 5.369 -8.258 -4.260 598 HG2 GLU 84 1HG GLU 84 5.037 -6.958 -6.256 599 HG3 GLU 84 2HG GLU 84 6.775 -6.895 -6.544 600 H ASN 85 H ASN 85 8.934 -6.305 -3.408 601 HA ASN 85 HA ASN 85 9.419 -4.394 -5.595 602 HB2 ASN 85 1HB ASN 85 10.995 -3.183 -4.226 603 HB3 ASN 85 2HB ASN 85 9.466 -3.284 -3.357 604 HD21 ASN 85 1HD2 ASN 85 11.294 -2.679 -1.730 605 HD22 ASN 85 2HD2 ASN 85 11.923 -4.014 -0.831 606 H ALA 86 H ALA 86 12.070 -4.201 -5.632 607 HA ALA 86 HA ALA 86 12.909 -6.656 -6.763 608 HB1 ALA 86 3HB ALA 86 14.585 -4.270 -5.996 609 HB2 ALA 86 1HB ALA 86 15.054 -5.567 -7.095 610 HB3 ALA 86 2HB ALA 86 13.737 -4.477 -7.528 611 H LEU 87 H LEU 87 12.586 -5.833 -3.588 612 HA LEU 87 HA LEU 87 14.876 -7.447 -2.708 613 HB2 LEU 87 1HB LEU 87 13.187 -5.360 -1.406 614 HB3 LEU 87 2HB LEU 87 14.001 -6.560 -0.404 615 HG LEU 87 HG LEU 87 16.122 -5.775 -1.743 616 HD11 LEU 87 1HD1 LEU 87 15.598 -4.183 -3.231 617 HD12 LEU 87 2HD1 LEU 87 15.593 -3.113 -1.830 618 HD13 LEU 87 3HD1 LEU 87 14.078 -3.788 -2.428 619 HD21 LEU 87 3HD2 LEU 87 15.019 -5.223 0.758 620 HD22 LEU 87 1HD2 LEU 87 15.534 -3.659 0.126 621 HD23 LEU 87 2HD2 LEU 87 16.692 -4.983 0.254 622 H GLY 88 H GLY 88 11.667 -6.927 -1.268 623 HA2 GLY 88 1HA GLY 88 11.377 -9.866 -1.138 624 HA3 GLY 88 2HA GLY 88 10.840 -8.787 0.141 625 H GLN 89 H GLN 89 8.784 -9.932 -0.155 626 HA GLN 89 HA GLN 89 7.038 -8.414 -1.859 627 HB2 GLN 89 1HB GLN 89 6.248 -10.123 -3.266 628 HB3 GLN 89 2HB GLN 89 7.998 -10.284 -3.314 629 HG2 GLN 89 1HG GLN 89 7.925 -12.144 -1.799 630 HG3 GLN 89 2HG GLN 89 6.192 -11.930 -1.560 631 HE21 GLN 89 1HE2 GLN 89 5.006 -11.838 -3.799 632 HE22 GLN 89 2HE2 GLN 89 5.392 -13.145 -4.861 633 H VAL 90 H VAL 90 5.090 -8.214 -0.934 634 HA VAL 90 HA VAL 90 4.147 -10.267 0.920 635 HB VAL 90 HB VAL 90 3.563 -8.591 2.630 636 HG11 VAL 90 1HG1 VAL 90 6.497 -8.661 1.933 637 HG12 VAL 90 2HG1 VAL 90 5.822 -8.254 3.512 638 HG13 VAL 90 3HG1 VAL 90 5.620 -9.880 2.858 639 HG21 VAL 90 3HG2 VAL 90 3.499 -6.450 2.019 640 HG22 VAL 90 1HG2 VAL 90 5.261 -6.460 2.086 641 HG23 VAL 90 2HG2 VAL 90 4.436 -6.770 0.559 642 H SER 91 H SER 91 1.885 -10.159 1.364 643 HA SER 91 HA SER 91 0.288 -8.244 -0.128 644 HB2 SER 91 1HB SER 91 0.860 -10.291 -1.611 645 HB3 SER 91 2HB SER 91 -0.268 -11.167 -0.576 646 HG SER 91 HG SER 91 -1.128 -8.729 -1.601 647 H CYS 92 H CYS 92 -1.567 -7.770 0.894 648 HA CYS 92 HA CYS 92 -2.403 -9.540 3.098 649 HB2 CYS 92 1HB CYS 92 -3.065 -7.592 4.372 650 HB3 CYS 92 2HB CYS 92 -1.385 -7.410 3.882 651 HG CYS 92 HG CYS 92 -4.074 -5.582 3.031 652 H SER 93 H SER 93 -4.648 -9.663 3.542 653 HA SER 93 HA SER 93 -6.399 -8.661 1.401 654 HB2 SER 93 1HB SER 93 -6.233 -10.908 0.785 655 HB3 SER 93 2HB SER 93 -6.138 -11.461 2.457 656 HG SER 93 HG SER 93 -8.466 -10.165 1.599 657 H ALA 94 H ALA 94 -8.553 -8.239 1.992 658 HA ALA 94 HA ALA 94 -9.294 -8.509 4.797 659 HB1 ALA 94 3HB ALA 94 -8.354 -6.412 5.043 660 HB2 ALA 94 1HB ALA 94 -8.828 -5.894 3.425 661 HB3 ALA 94 2HB ALA 94 -10.040 -6.026 4.701 662 H TRP 95 H TRP 95 -11.575 -7.969 5.182 663 HA TRP 95 HA TRP 95 -13.185 -8.485 2.773 664 HB2 TRP 95 1HB TRP 95 -13.258 -10.220 4.563 665 HB3 TRP 95 2HB TRP 95 -13.924 -9.012 5.658 666 HD1 TRP 95 HD1 TRP 95 -16.470 -8.310 5.316 667 HE1 TRP 95 HE1 TRP 95 -18.407 -9.401 4.019 668 HE3 TRP 95 HE3 TRP 95 -13.783 -11.564 2.431 669 HZ2 TRP 95 HZ2 TRP 95 -18.750 -11.380 2.035 670 HZ3 TRP 95 HZ3 TRP 95 -14.992 -13.022 0.859 671 HH2 TRP 95 HH2 TRP 95 -17.424 -12.931 0.668 672 H VAL 96 H VAL 96 -14.837 -7.155 2.225 673 HA VAL 96 HA VAL 96 -15.424 -4.900 4.029 674 HB VAL 96 HB VAL 96 -14.927 -4.830 1.060 675 HG11 VAL 96 1HG1 VAL 96 -16.843 -3.547 1.126 676 HG12 VAL 96 2HG1 VAL 96 -16.526 -2.968 2.763 677 HG13 VAL 96 3HG1 VAL 96 -15.592 -2.336 1.406 678 HG21 VAL 96 3HG2 VAL 96 -13.850 -2.765 2.853 679 HG22 VAL 96 1HG2 VAL 96 -13.238 -4.395 3.135 680 HG23 VAL 96 2HG2 VAL 96 -13.070 -3.652 1.544 681 H THR 97 H THR 97 -17.534 -4.257 4.177 682 HA THR 97 HA THR 97 -19.496 -5.834 2.642 683 HB THR 97 HB THR 97 -20.954 -5.195 4.790 684 HG1 THR 97 HG1 THR 97 -19.053 -4.165 5.756 685 HG21 THR 97 3HG2 THR 97 -19.878 -7.450 5.763 686 HG22 THR 97 1HG2 THR 97 -19.232 -7.511 4.124 687 HG23 THR 97 2HG2 THR 97 -20.975 -7.431 4.383 688 H VAL 98 H VAL 98 -21.170 -4.772 1.703 689 HA VAL 98 HA VAL 98 -21.395 -1.877 2.201 690 HB VAL 98 HB VAL 98 -21.647 -3.213 -0.497 691 HG11 VAL 98 1HG1 VAL 98 -22.920 -0.991 0.246 692 HG12 VAL 98 2HG1 VAL 98 -21.365 -0.281 -0.191 693 HG13 VAL 98 3HG1 VAL 98 -22.273 -1.217 -1.378 694 HG21 VAL 98 3HG2 VAL 98 -19.455 -1.424 0.552 695 HG22 VAL 98 1HG2 VAL 98 -19.326 -3.166 0.314 696 HG23 VAL 98 2HG2 VAL 98 -19.563 -2.102 -1.072 697 H HIS 99 H HIS 99 -23.262 -1.759 3.310 698 HA HIS 99 HA HIS 99 -25.467 -3.471 3.014 699 HB2 HIS 99 1HB HIS 99 -25.456 -0.628 4.049 700 HB3 HIS 99 2HB HIS 99 -26.699 -1.839 4.350 701 HD1 HIS 99 HD1 HIS 99 -25.883 -3.958 5.804 702 HD2 HIS 99 HD2 HIS 99 -23.405 -0.624 5.846 703 HE1 HIS 99 HE1 HIS 99 -24.370 -4.269 7.789 704 HE2 HIS 99 HE2 HIS 99 -22.937 -2.199 7.844 Start of MODEL 16 1 H1 GLY 1 H GLY 1 32.152 11.960 -10.885 2 HA2 GLY 1 1HA GLY 1 32.193 10.758 -8.894 3 HA3 GLY 1 2HA GLY 1 30.965 11.948 -8.487 4 H SER 2 H SER 2 29.350 10.970 -7.472 5 HA SER 2 HA SER 2 27.781 9.427 -6.881 6 HB2 SER 2 1HB SER 2 27.006 10.232 -9.188 7 HB3 SER 2 2HB SER 2 27.645 8.710 -9.808 8 HG SER 2 HG SER 2 25.691 8.061 -9.302 9 H SER 3 H SER 3 30.339 8.489 -6.525 10 HA SER 3 HA SER 3 30.584 5.855 -7.687 11 HB2 SER 3 1HB SER 3 32.212 7.298 -5.584 12 HB3 SER 3 2HB SER 3 32.598 5.692 -6.202 13 HG SER 3 HG SER 3 32.703 6.674 -8.309 14 H GLY 4 H GLY 4 28.179 6.057 -6.357 15 HA2 GLY 4 1HA GLY 4 27.821 3.811 -4.973 16 HA3 GLY 4 2HA GLY 4 28.504 4.846 -3.727 17 H SER 5 H SER 5 25.690 3.689 -4.867 18 HA SER 5 HA SER 5 24.014 5.971 -4.906 19 HB2 SER 5 1HB SER 5 23.565 3.020 -4.675 20 HB3 SER 5 2HB SER 5 22.226 4.120 -4.348 21 HG SER 5 HG SER 5 22.764 3.290 -6.643 22 H SER 6 H SER 6 23.250 7.172 -3.299 23 HA SER 6 HA SER 6 23.840 6.412 -0.559 24 HB2 SER 6 1HB SER 6 22.999 8.933 -1.933 25 HB3 SER 6 2HB SER 6 22.705 8.772 -0.202 26 HG SER 6 HG SER 6 24.769 9.717 -0.777 27 H GLY 7 H GLY 7 22.420 5.556 0.813 28 HA2 GLY 7 1HA GLY 7 20.198 5.648 1.816 29 HA3 GLY 7 2HA GLY 7 19.546 5.829 0.194 30 H MET 8 H MET 8 20.173 3.674 2.677 31 HA MET 8 HA MET 8 20.556 1.309 1.096 32 HB2 MET 8 1HB MET 8 20.450 0.106 3.158 33 HB3 MET 8 2HB MET 8 21.352 1.584 3.462 34 HG2 MET 8 1HG MET 8 19.183 2.575 4.302 35 HG3 MET 8 2HG MET 8 18.532 0.938 4.254 36 HE1 MET 8 3HE MET 8 18.691 2.987 6.567 37 HE2 MET 8 1HE MET 8 18.126 1.448 7.220 38 HE3 MET 8 2HE MET 8 19.472 2.290 7.988 39 H GLU 9 H GLU 9 19.068 -0.376 0.759 40 HA GLU 9 HA GLU 9 16.292 0.537 0.641 41 HB2 GLU 9 1HB GLU 9 17.676 -1.818 -0.654 42 HB3 GLU 9 2HB GLU 9 15.968 -1.443 -0.841 43 HG2 GLU 9 1HG GLU 9 16.369 0.384 -2.164 44 HG3 GLU 9 2HG GLU 9 17.982 0.646 -1.502 45 H VAL 10 H VAL 10 14.647 -1.337 0.914 46 HA VAL 10 HA VAL 10 15.367 -3.230 2.997 47 HB VAL 10 HB VAL 10 13.253 -2.438 4.297 48 HG11 VAL 10 1HG1 VAL 10 15.920 -1.043 4.360 49 HG12 VAL 10 2HG1 VAL 10 14.683 -0.828 5.599 50 HG13 VAL 10 3HG1 VAL 10 15.393 -2.420 5.328 51 HG21 VAL 10 3HG2 VAL 10 12.618 -0.199 4.112 52 HG22 VAL 10 1HG2 VAL 10 14.061 0.231 3.192 53 HG23 VAL 10 2HG2 VAL 10 12.785 -0.724 2.437 54 H ALA 11 H ALA 11 13.529 -4.691 3.527 55 HA ALA 11 HA ALA 11 12.189 -5.464 1.091 56 HB1 ALA 11 3HB ALA 11 11.747 -6.794 3.735 57 HB2 ALA 11 1HB ALA 11 11.752 -7.496 2.116 58 HB3 ALA 11 2HB ALA 11 13.269 -7.002 2.868 59 HA PRO 12 HA PRO 12 8.274 -3.614 1.840 60 HB2 PRO 12 1HB PRO 12 6.647 -5.394 0.593 61 HB3 PRO 12 2HB PRO 12 7.703 -4.280 -0.283 62 HG2 PRO 12 1HG PRO 12 8.124 -7.171 0.369 63 HG3 PRO 12 2HG PRO 12 8.448 -6.307 -1.145 64 HD2 PRO 12 1HD PRO 12 10.398 -6.906 0.636 65 HD3 PRO 12 2HD PRO 12 10.443 -5.447 -0.375 66 H SER 13 H SER 13 6.371 -3.796 3.073 67 HA SER 13 HA SER 13 5.535 -6.193 4.332 68 HB2 SER 13 1HB SER 13 7.391 -4.386 5.841 69 HB3 SER 13 2HB SER 13 6.112 -5.236 6.709 70 HG SER 13 HG SER 13 8.448 -6.190 5.688 71 H PHE 14 H PHE 14 3.928 -5.693 6.143 72 HA PHE 14 HA PHE 14 2.552 -3.152 5.566 73 HB2 PHE 14 1HB PHE 14 1.439 -5.934 5.828 74 HB3 PHE 14 2HB PHE 14 0.429 -4.523 6.126 75 HD1 PHE 14 HD2 PHE 14 0.451 -2.716 4.232 76 HD2 PHE 14 HD1 PHE 14 1.568 -6.788 3.698 77 HE1 PHE 14 HE2 PHE 14 0.021 -2.514 1.818 78 HE2 PHE 14 HE1 PHE 14 1.141 -6.592 1.283 79 HZ PHE 14 HZ PHE 14 0.366 -4.453 0.340 80 H SER 15 H SER 15 2.656 -1.896 7.300 81 HA SER 15 HA SER 15 3.110 -2.926 9.929 82 HB2 SER 15 1HB SER 15 4.068 -0.788 9.340 83 HB3 SER 15 2HB SER 15 2.479 -0.137 8.939 84 HG SER 15 HG SER 15 3.460 0.322 11.118 85 H SER 16 H SER 16 0.353 -1.460 8.260 86 HA SER 16 HA SER 16 -1.394 -2.550 10.358 87 HB2 SER 16 1HB SER 16 -1.335 0.247 9.266 88 HB3 SER 16 2HB SER 16 -2.845 -0.438 9.867 89 HG SER 16 HG SER 16 -0.415 -0.222 11.321 90 H VAL 17 H VAL 17 -1.644 -4.287 8.799 91 HA VAL 17 HA VAL 17 -2.476 -4.163 6.206 92 HB VAL 17 HB VAL 17 -3.720 -6.277 6.594 93 HG11 VAL 17 1HG1 VAL 17 -1.579 -7.304 7.924 94 HG12 VAL 17 2HG1 VAL 17 -1.612 -6.940 6.197 95 HG13 VAL 17 3HG1 VAL 17 -0.927 -5.776 7.332 96 HG21 VAL 17 3HG2 VAL 17 -2.930 -5.972 9.485 97 HG22 VAL 17 1HG2 VAL 17 -4.541 -5.598 8.872 98 HG23 VAL 17 2HG2 VAL 17 -3.915 -7.243 8.759 99 H LEU 18 H LEU 18 -4.718 -4.672 5.348 100 HA LEU 18 HA LEU 18 -6.457 -2.531 6.023 101 HB2 LEU 18 1HB LEU 18 -6.809 -4.934 4.246 102 HB3 LEU 18 2HB LEU 18 -8.016 -3.660 4.408 103 HG LEU 18 HG LEU 18 -5.219 -3.017 3.543 104 HD11 LEU 18 1HD1 LEU 18 -5.448 -4.038 1.592 105 HD12 LEU 18 2HD1 LEU 18 -6.966 -3.189 1.303 106 HD13 LEU 18 3HD1 LEU 18 -6.970 -4.739 2.144 107 HD21 LEU 18 3HD2 LEU 18 -7.796 -1.716 2.725 108 HD22 LEU 18 1HD2 LEU 18 -6.161 -1.056 2.693 109 HD23 LEU 18 2HD2 LEU 18 -6.985 -1.294 4.234 110 H LYS 19 H LYS 19 -8.483 -2.557 6.987 111 HA LYS 19 HA LYS 19 -9.160 -5.011 8.472 112 HB2 LYS 19 1HB LYS 19 -9.161 -2.143 9.384 113 HB3 LYS 19 2HB LYS 19 -10.143 -3.360 10.190 114 HG2 LYS 19 1HG LYS 19 -7.260 -3.941 9.784 115 HG3 LYS 19 2HG LYS 19 -7.712 -2.758 11.014 116 HD2 LYS 19 1HD LYS 19 -7.730 -4.705 12.242 117 HD3 LYS 19 2HD LYS 19 -9.418 -4.611 11.736 118 HE2 LYS 19 1HE LYS 19 -9.173 -6.295 10.164 119 HE3 LYS 19 2HE LYS 19 -7.428 -6.072 10.050 120 HZ1 LYS 19 3HZ LYS 19 -7.090 -7.541 11.664 121 HZ2 LYS 19 1HZ LYS 19 -8.718 -7.978 11.517 122 HZ3 LYS 19 2HZ LYS 19 -8.249 -6.839 12.677 123 H ASP 20 H ASP 20 -11.358 -5.468 8.767 124 HA ASP 20 HA ASP 20 -13.063 -4.995 6.658 125 HB2 ASP 20 1HB ASP 20 -13.292 -6.735 8.496 126 HB3 ASP 20 2HB ASP 20 -14.025 -5.470 9.479 127 H CYS 21 H CYS 21 -14.789 -3.614 6.267 128 HA CYS 21 HA CYS 21 -15.307 -1.436 8.123 129 HB2 CYS 21 1HB CYS 21 -14.870 0.319 6.521 130 HB3 CYS 21 2HB CYS 21 -13.419 -0.662 6.695 131 HG CYS 21 HG CYS 21 -13.477 -0.069 4.043 132 H ALA 22 H ALA 22 -17.329 -0.538 7.904 133 HA ALA 22 HA ALA 22 -19.092 -1.871 5.962 134 HB1 ALA 22 3HB ALA 22 -19.394 -1.116 8.773 135 HB2 ALA 22 1HB ALA 22 -20.778 -0.707 7.759 136 HB3 ALA 22 2HB ALA 22 -20.206 -2.373 7.840 137 H VAL 23 H VAL 23 -20.345 -0.709 4.582 138 HA VAL 23 HA VAL 23 -20.543 2.181 4.871 139 HB VAL 23 HB VAL 23 -18.444 1.592 3.511 140 HG11 VAL 23 1HG1 VAL 23 -19.384 -0.180 2.157 141 HG12 VAL 23 2HG1 VAL 23 -20.575 0.932 1.480 142 HG13 VAL 23 3HG1 VAL 23 -18.861 1.148 1.122 143 HG21 VAL 23 3HG2 VAL 23 -20.020 3.281 1.734 144 HG22 VAL 23 1HG2 VAL 23 -20.194 3.709 3.436 145 HG23 VAL 23 2HG2 VAL 23 -18.594 3.669 2.695 146 H ILE 24 H ILE 24 -22.219 3.115 3.642 147 HA ILE 24 HA ILE 24 -24.311 1.228 2.927 148 HB ILE 24 HB ILE 24 -24.277 4.217 3.280 149 HG12 ILE 24 1HG1 ILE 24 -26.152 3.477 4.927 150 HG13 ILE 24 2HG1 ILE 24 -25.456 1.871 4.742 151 HG21 ILE 24 1HG2 ILE 24 -25.713 3.848 1.405 152 HG22 ILE 24 2HG2 ILE 24 -26.501 2.491 2.209 153 HG23 ILE 24 3HG2 ILE 24 -26.730 4.130 2.818 154 HD11 ILE 24 3HD1 ILE 24 -23.265 2.833 5.450 155 HD12 ILE 24 1HD1 ILE 24 -24.115 4.334 5.819 156 HD13 ILE 24 2HD1 ILE 24 -24.521 2.853 6.688 157 H GLU 25 H GLU 25 -25.418 1.248 0.932 158 HA GLU 25 HA GLU 25 -23.823 1.371 -1.346 159 HB2 GLU 25 1HB GLU 25 -25.830 0.027 -1.302 160 HB3 GLU 25 2HB GLU 25 -26.831 1.455 -1.080 161 HG2 GLU 25 1HG GLU 25 -25.101 1.253 -3.496 162 HG3 GLU 25 2HG GLU 25 -26.603 0.334 -3.424 163 H GLY 26 H GLY 26 -23.381 2.902 -2.846 164 HA2 GLY 26 1HA GLY 26 -23.682 4.908 -4.034 165 HA3 GLY 26 2HA GLY 26 -24.873 5.409 -2.842 166 H GLN 27 H GLN 27 -22.926 4.636 -0.665 167 HA GLN 27 HA GLN 27 -21.766 7.213 -0.343 168 HB2 GLN 27 1HB GLN 27 -21.481 4.639 1.203 169 HB3 GLN 27 2HB GLN 27 -20.663 6.125 1.668 170 HG2 GLN 27 1HG GLN 27 -23.638 5.969 1.315 171 HG3 GLN 27 2HG GLN 27 -22.839 5.596 2.842 172 HE21 GLN 27 1HE2 GLN 27 -23.295 7.239 4.138 173 HE22 GLN 27 2HE2 GLN 27 -23.053 8.909 3.768 174 H ASP 28 H ASP 28 -19.386 7.405 0.305 175 HA ASP 28 HA ASP 28 -17.743 5.900 -1.626 176 HB2 ASP 28 1HB ASP 28 -16.320 7.923 -1.797 177 HB3 ASP 28 2HB ASP 28 -17.970 8.210 -2.342 178 H PHE 29 H PHE 29 -16.126 4.755 -0.801 179 HA PHE 29 HA PHE 29 -15.156 5.443 1.895 180 HB2 PHE 29 1HB PHE 29 -14.952 3.130 2.440 181 HB3 PHE 29 2HB PHE 29 -16.563 3.346 1.765 182 HD1 PHE 29 HD2 PHE 29 -13.118 2.298 0.854 183 HD2 PHE 29 HD1 PHE 29 -17.279 2.025 -0.001 184 HE1 PHE 29 HE2 PHE 29 -12.660 0.530 -0.793 185 HE2 PHE 29 HE1 PHE 29 -16.828 0.255 -1.649 186 HZ PHE 29 HZ PHE 29 -14.516 -0.494 -2.048 187 H VAL 30 H VAL 30 -12.968 5.329 2.272 188 HA VAL 30 HA VAL 30 -11.273 4.762 -0.073 189 HB VAL 30 HB VAL 30 -10.779 6.868 2.037 190 HG11 VAL 30 1HG1 VAL 30 -8.658 6.294 1.374 191 HG12 VAL 30 2HG1 VAL 30 -9.175 5.818 -0.245 192 HG13 VAL 30 3HG1 VAL 30 -9.051 7.527 0.177 193 HG21 VAL 30 3HG2 VAL 30 -11.981 8.274 0.807 194 HG22 VAL 30 1HG2 VAL 30 -10.985 7.917 -0.604 195 HG23 VAL 30 2HG2 VAL 30 -12.418 6.946 -0.268 196 H LEU 31 H LEU 31 -10.506 2.773 0.422 197 HA LEU 31 HA LEU 31 -9.868 1.864 3.010 198 HB2 LEU 31 1HB LEU 31 -8.923 0.921 0.310 199 HB3 LEU 31 2HB LEU 31 -8.631 0.062 1.821 200 HG LEU 31 HG LEU 31 -11.398 0.660 0.797 201 HD11 LEU 31 1HD1 LEU 31 -9.590 -0.965 -0.496 202 HD12 LEU 31 2HD1 LEU 31 -11.347 -1.059 -0.618 203 HD13 LEU 31 3HD1 LEU 31 -10.487 -2.086 0.530 204 HD21 LEU 31 3HD2 LEU 31 -12.159 -0.585 2.520 205 HD22 LEU 31 1HD2 LEU 31 -10.635 -0.093 3.259 206 HD23 LEU 31 2HD2 LEU 31 -10.772 -1.675 2.491 207 H GLN 32 H GLN 32 -8.323 2.638 4.278 208 HA GLN 32 HA GLN 32 -5.821 3.575 3.043 209 HB2 GLN 32 1HB GLN 32 -7.160 5.256 4.328 210 HB3 GLN 32 2HB GLN 32 -6.906 4.284 5.772 211 HG2 GLN 32 1HG GLN 32 -4.468 4.583 5.493 212 HG3 GLN 32 2HG GLN 32 -4.790 5.652 4.129 213 HE21 GLN 32 1HE2 GLN 32 -3.626 7.250 5.347 214 HE22 GLN 32 2HE2 GLN 32 -4.432 8.143 6.587 215 H CYS 33 H CYS 33 -3.976 2.548 3.487 216 HA CYS 33 HA CYS 33 -3.771 0.906 5.893 217 HB2 CYS 33 1HB CYS 33 -2.927 -1.022 4.648 218 HB3 CYS 33 2HB CYS 33 -4.561 -0.619 4.133 219 HG CYS 33 HG CYS 33 -4.019 -0.430 1.636 220 H SER 34 H SER 34 -1.608 0.413 6.509 221 HA SER 34 HA SER 34 0.333 2.319 5.403 222 HB2 SER 34 1HB SER 34 0.451 0.841 8.041 223 HB3 SER 34 2HB SER 34 1.502 2.158 7.520 224 HG SER 34 HG SER 34 -0.974 2.256 8.640 225 H VAL 35 H VAL 35 1.924 1.587 4.172 226 HA VAL 35 HA VAL 35 2.859 -1.178 4.553 227 HB VAL 35 HB VAL 35 1.518 -1.249 2.571 228 HG11 VAL 35 1HG1 VAL 35 1.361 1.086 2.038 229 HG12 VAL 35 2HG1 VAL 35 3.085 1.165 1.672 230 HG13 VAL 35 3HG1 VAL 35 2.003 0.235 0.634 231 HG21 VAL 35 3HG2 VAL 35 4.474 -1.168 2.023 232 HG22 VAL 35 1HG2 VAL 35 3.457 -2.573 2.343 233 HG23 VAL 35 2HG2 VAL 35 3.298 -1.698 0.821 234 H ARG 36 H ARG 36 5.012 -1.424 4.661 235 HA ARG 36 HA ARG 36 6.668 0.958 4.190 236 HB2 ARG 36 1HB ARG 36 8.322 -0.654 5.555 237 HB3 ARG 36 2HB ARG 36 7.194 0.444 6.340 238 HG2 ARG 36 1HG ARG 36 5.578 -1.400 6.547 239 HG3 ARG 36 2HG ARG 36 6.761 -2.490 5.823 240 HD2 ARG 36 1HD ARG 36 7.331 -0.880 8.299 241 HD3 ARG 36 2HD ARG 36 6.614 -2.490 8.355 242 HE ARG 36 HE ARG 36 8.651 -3.399 7.762 243 HH11 ARG 36 2HH1 ARG 36 8.752 0.069 7.481 244 HH12 ARG 36 1HH1 ARG 36 10.473 0.134 7.291 245 HH21 ARG 36 2HH2 ARG 36 10.917 -3.326 7.513 246 HH22 ARG 36 1HH2 ARG 36 11.703 -1.798 7.309 247 H GLY 37 H GLY 37 9.107 0.133 3.805 248 HA2 GLY 37 1HA GLY 37 10.228 -1.800 2.603 249 HA3 GLY 37 2HA GLY 37 8.932 -1.613 1.431 250 H THR 38 H THR 38 11.519 -1.494 0.589 251 HA THR 38 HA THR 38 11.608 1.100 -0.617 252 HB THR 38 HB THR 38 13.902 0.376 1.215 253 HG1 THR 38 HG1 THR 38 13.143 2.014 2.527 254 HG21 THR 38 3HG2 THR 38 13.406 2.912 -0.344 255 HG22 THR 38 1HG2 THR 38 14.485 1.621 -0.872 256 HG23 THR 38 2HG2 THR 38 14.832 2.509 0.612 257 HA PRO 39 HA PRO 39 12.320 2.068 -2.218 258 HB2 PRO 39 1HB PRO 39 11.541 1.805 -4.806 259 HB3 PRO 39 2HB PRO 39 13.199 2.198 -4.337 260 HG2 PRO 39 1HG PRO 39 12.030 -0.442 -5.126 261 HG3 PRO 39 2HG PRO 39 13.578 0.281 -5.598 262 HD2 PRO 39 1HD PRO 39 13.381 -1.613 -3.673 263 HD3 PRO 39 2HD PRO 39 14.607 -0.330 -3.628 264 H VAL 40 H VAL 40 10.133 2.822 -3.077 265 HA VAL 40 HA VAL 40 8.066 1.616 -1.712 266 HB VAL 40 HB VAL 40 7.885 3.325 -4.197 267 HG11 VAL 40 1HG1 VAL 40 5.807 2.235 -2.357 268 HG12 VAL 40 2HG1 VAL 40 5.583 3.841 -3.053 269 HG13 VAL 40 3HG1 VAL 40 5.766 2.439 -4.108 270 HG21 VAL 40 3HG2 VAL 40 7.232 4.386 -1.519 271 HG22 VAL 40 1HG2 VAL 40 8.934 4.049 -1.834 272 HG23 VAL 40 2HG2 VAL 40 8.047 5.158 -2.880 273 HA PRO 41 HA PRO 41 7.358 -2.019 -4.192 274 HB2 PRO 41 1HB PRO 41 5.274 -2.952 -2.723 275 HB3 PRO 41 2HB PRO 41 6.958 -3.106 -2.207 276 HG2 PRO 41 1HG PRO 41 4.898 -1.100 -1.374 277 HG3 PRO 41 2HG PRO 41 6.076 -1.974 -0.377 278 HD2 PRO 41 1HD PRO 41 6.451 0.590 -1.164 279 HD3 PRO 41 2HD PRO 41 7.796 -0.545 -0.935 280 H ARG 42 H ARG 42 5.790 -2.765 -5.654 281 HA ARG 42 HA ARG 42 4.141 -0.770 -6.800 282 HB2 ARG 42 1HB ARG 42 4.648 -3.665 -7.305 283 HB3 ARG 42 2HB ARG 42 3.218 -2.938 -8.024 284 HG2 ARG 42 1HG ARG 42 5.018 -2.874 -9.605 285 HG3 ARG 42 2HG ARG 42 4.659 -1.229 -9.075 286 HD2 ARG 42 1HD ARG 42 6.752 -2.778 -7.629 287 HD3 ARG 42 2HD ARG 42 7.137 -2.114 -9.217 288 HE ARG 42 HE ARG 42 6.873 -0.667 -6.773 289 HH11 ARG 42 2HH1 ARG 42 6.449 -0.451 -10.221 290 HH12 ARG 42 1HH1 ARG 42 6.651 1.269 -10.270 291 HH21 ARG 42 2HH2 ARG 42 7.141 1.597 -6.823 292 HH22 ARG 42 1HH2 ARG 42 7.045 2.433 -8.336 293 H ILE 43 H ILE 43 2.180 -0.138 -6.215 294 HA ILE 43 HA ILE 43 0.651 -1.760 -4.335 295 HB ILE 43 HB ILE 43 0.001 1.007 -5.348 296 HG12 ILE 43 1HG1 ILE 43 2.157 1.121 -4.280 297 HG13 ILE 43 2HG1 ILE 43 0.961 1.771 -3.163 298 HG21 ILE 43 1HG2 ILE 43 -1.473 -0.830 -3.830 299 HG22 ILE 43 2HG2 ILE 43 -0.898 0.389 -2.693 300 HG23 ILE 43 3HG2 ILE 43 -1.835 0.874 -4.106 301 HD11 ILE 43 3HD1 ILE 43 2.128 0.461 -1.733 302 HD12 ILE 43 1HD1 ILE 43 0.961 -0.732 -2.302 303 HD13 ILE 43 2HD1 ILE 43 2.587 -0.693 -2.985 304 H THR 44 H THR 44 -0.519 -3.302 -5.307 305 HA THR 44 HA THR 44 -2.322 -2.471 -7.482 306 HB THR 44 HB THR 44 -0.889 -5.128 -7.292 307 HG1 THR 44 HG1 THR 44 -0.661 -3.292 -9.424 308 HG21 THR 44 3HG2 THR 44 -1.921 -5.521 -9.530 309 HG22 THR 44 1HG2 THR 44 -2.897 -4.074 -9.285 310 HG23 THR 44 2HG2 THR 44 -3.088 -5.459 -8.210 311 H TRP 45 H TRP 45 -4.364 -2.648 -6.862 312 HA TRP 45 HA TRP 45 -5.060 -4.420 -4.654 313 HB2 TRP 45 1HB TRP 45 -6.766 -2.387 -6.109 314 HB3 TRP 45 2HB TRP 45 -7.196 -3.235 -4.626 315 HD1 TRP 45 HD1 TRP 45 -4.365 -0.844 -5.805 316 HE1 TRP 45 HE1 TRP 45 -3.791 0.720 -3.843 317 HE3 TRP 45 HE3 TRP 45 -7.537 -2.762 -2.285 318 HZ2 TRP 45 HZ2 TRP 45 -4.579 1.091 -1.158 319 HZ3 TRP 45 HZ3 TRP 45 -7.566 -1.746 -0.044 320 HH2 TRP 45 HH2 TRP 45 -6.116 0.140 0.506 321 H LEU 46 H LEU 46 -6.532 -6.087 -4.787 322 HA LEU 46 HA LEU 46 -7.571 -6.757 -7.452 323 HB2 LEU 46 1HB LEU 46 -6.180 -8.646 -5.559 324 HB3 LEU 46 2HB LEU 46 -7.031 -9.133 -7.023 325 HG LEU 46 HG LEU 46 -4.793 -7.174 -7.245 326 HD11 LEU 46 1HD1 LEU 46 -3.112 -8.755 -7.118 327 HD12 LEU 46 2HD1 LEU 46 -4.227 -10.109 -7.294 328 HD13 LEU 46 3HD1 LEU 46 -4.161 -9.214 -5.776 329 HD21 LEU 46 3HD2 LEU 46 -4.964 -9.353 -9.146 330 HD22 LEU 46 1HD2 LEU 46 -4.994 -7.611 -9.418 331 HD23 LEU 46 2HD2 LEU 46 -6.484 -8.466 -9.020 332 H LEU 47 H LEU 47 -9.636 -7.424 -7.474 333 HA LEU 47 HA LEU 47 -10.907 -8.014 -4.881 334 HB2 LEU 47 1HB LEU 47 -11.727 -5.921 -5.635 335 HB3 LEU 47 2HB LEU 47 -11.953 -6.525 -7.275 336 HG LEU 47 HG LEU 47 -13.701 -8.104 -6.191 337 HD11 LEU 47 1HD1 LEU 47 -12.900 -6.474 -3.944 338 HD12 LEU 47 2HD1 LEU 47 -13.910 -7.919 -3.987 339 HD13 LEU 47 3HD1 LEU 47 -14.628 -6.333 -4.265 340 HD21 LEU 47 3HD2 LEU 47 -14.330 -5.161 -6.325 341 HD22 LEU 47 1HD2 LEU 47 -15.425 -6.514 -6.610 342 HD23 LEU 47 2HD2 LEU 47 -14.116 -6.185 -7.746 343 H ASN 48 H ASN 48 -11.768 -9.969 -4.690 344 HA ASN 48 HA ASN 48 -12.541 -12.050 -5.185 345 HB2 ASN 48 1HB ASN 48 -13.736 -10.323 -7.295 346 HB3 ASN 48 2HB ASN 48 -13.830 -12.066 -7.529 347 HD21 ASN 48 1HD2 ASN 48 -14.462 -9.542 -5.135 348 HD22 ASN 48 2HD2 ASN 48 -15.849 -10.303 -4.441 349 H GLY 49 H GLY 49 -9.856 -11.296 -6.023 350 HA2 GLY 49 1HA GLY 49 -8.123 -12.434 -7.041 351 HA3 GLY 49 2HA GLY 49 -9.299 -13.582 -7.663 352 H GLN 50 H GLN 50 -9.407 -10.108 -8.192 353 HA GLN 50 HA GLN 50 -8.408 -10.418 -10.911 354 HB2 GLN 50 1HB GLN 50 -11.160 -9.317 -10.316 355 HB3 GLN 50 2HB GLN 50 -10.382 -9.331 -11.893 356 HG2 GLN 50 1HG GLN 50 -10.792 -11.886 -10.405 357 HG3 GLN 50 2HG GLN 50 -12.125 -11.150 -11.293 358 HE21 GLN 50 1HE2 GLN 50 -10.097 -13.535 -11.564 359 HE22 GLN 50 2HE2 GLN 50 -9.726 -13.502 -13.251 360 HA PRO 51 HA PRO 51 -6.675 -6.475 -9.993 361 HB2 PRO 51 1HB PRO 51 -6.064 -5.697 -12.521 362 HB3 PRO 51 2HB PRO 51 -5.150 -6.933 -11.648 363 HG2 PRO 51 1HG PRO 51 -7.292 -7.266 -13.712 364 HG3 PRO 51 2HG PRO 51 -5.759 -8.140 -13.540 365 HD2 PRO 51 1HD PRO 51 -8.123 -9.172 -12.718 366 HD3 PRO 51 2HD PRO 51 -6.589 -9.529 -11.899 367 H ILE 52 H ILE 52 -7.471 -4.479 -9.685 368 HA ILE 52 HA ILE 52 -10.022 -3.800 -10.890 369 HB ILE 52 HB ILE 52 -8.480 -2.088 -8.955 370 HG12 ILE 52 1HG1 ILE 52 -10.409 -4.316 -8.267 371 HG13 ILE 52 2HG1 ILE 52 -8.662 -4.402 -8.066 372 HG21 ILE 52 1HG2 ILE 52 -11.164 -1.924 -8.389 373 HG22 ILE 52 2HG2 ILE 52 -10.239 -0.772 -9.351 374 HG23 ILE 52 3HG2 ILE 52 -11.137 -2.065 -10.146 375 HD11 ILE 52 3HD1 ILE 52 -9.580 -3.915 -5.949 376 HD12 ILE 52 1HD1 ILE 52 -8.853 -2.420 -6.537 377 HD13 ILE 52 2HD1 ILE 52 -10.602 -2.638 -6.607 378 H GLN 53 H GLN 53 -10.221 -2.581 -12.640 379 HA GLN 53 HA GLN 53 -7.921 -1.225 -13.746 380 HB2 GLN 53 1HB GLN 53 -10.739 -1.674 -14.704 381 HB3 GLN 53 2HB GLN 53 -9.629 -0.615 -15.564 382 HG2 GLN 53 1HG GLN 53 -9.676 -2.833 -16.549 383 HG3 GLN 53 2HG GLN 53 -8.085 -2.465 -15.884 384 HE21 GLN 53 1HE2 GLN 53 -11.021 -4.304 -15.440 385 HE22 GLN 53 2HE2 GLN 53 -10.360 -5.465 -14.344 386 H TYR 54 H TYR 54 -11.177 -0.287 -12.660 387 HA TYR 54 HA TYR 54 -10.532 2.524 -12.880 388 HB2 TYR 54 1HB TYR 54 -12.861 2.747 -11.813 389 HB3 TYR 54 2HB TYR 54 -12.768 2.056 -13.429 390 HD1 TYR 54 HD2 TYR 54 -13.017 -0.406 -13.729 391 HD2 TYR 54 HD1 TYR 54 -13.693 1.484 -9.978 392 HE1 TYR 54 HE2 TYR 54 -14.236 -2.396 -12.953 393 HE2 TYR 54 HE1 TYR 54 -14.914 -0.501 -9.191 394 HH TYR 54 HH TYR 54 -15.694 -3.151 -11.343 395 H ALA 55 H ALA 55 -8.788 1.240 -11.148 396 HA ALA 55 HA ALA 55 -9.686 1.966 -8.454 397 HB1 ALA 55 3HB ALA 55 -7.051 0.882 -8.454 398 HB2 ALA 55 1HB ALA 55 -8.533 0.193 -7.790 399 HB3 ALA 55 2HB ALA 55 -8.083 -0.129 -9.465 400 H ARG 56 H ARG 56 -9.497 4.171 -8.372 401 HA ARG 56 HA ARG 56 -7.134 5.516 -9.324 402 HB2 ARG 56 1HB ARG 56 -9.463 6.550 -7.696 403 HB3 ARG 56 2HB ARG 56 -8.207 7.545 -8.421 404 HG2 ARG 56 1HG ARG 56 -8.911 6.694 -10.651 405 HG3 ARG 56 2HG ARG 56 -10.256 5.874 -9.856 406 HD2 ARG 56 1HD ARG 56 -9.794 8.814 -9.492 407 HD3 ARG 56 2HD ARG 56 -10.664 8.196 -10.896 408 HE ARG 56 HE ARG 56 -11.800 7.069 -8.609 409 HH11 ARG 56 2HH1 ARG 56 -11.451 10.187 -10.118 410 HH12 ARG 56 1HH1 ARG 56 -12.926 10.816 -9.460 411 HH21 ARG 56 2HH2 ARG 56 -13.744 7.885 -7.737 412 HH22 ARG 56 1HH2 ARG 56 -14.229 9.506 -8.105 413 H SER 57 H SER 57 -6.328 3.624 -7.538 414 HA SER 57 HA SER 57 -6.127 4.462 -4.862 415 HB2 SER 57 1HB SER 57 -4.270 2.829 -4.704 416 HB3 SER 57 2HB SER 57 -5.679 2.154 -5.523 417 HG SER 57 HG SER 57 -3.455 3.286 -6.872 418 H THR 58 H THR 58 -4.304 5.304 -3.719 419 HA THR 58 HA THR 58 -2.279 6.691 -5.305 420 HB THR 58 HB THR 58 -2.615 8.791 -4.004 421 HG1 THR 58 HG1 THR 58 -4.858 8.914 -3.089 422 HG21 THR 58 3HG2 THR 58 -3.622 8.292 -6.312 423 HG22 THR 58 1HG2 THR 58 -4.294 9.645 -5.403 424 HG23 THR 58 2HG2 THR 58 -5.155 8.106 -5.459 425 H CYS 59 H CYS 59 -0.365 6.246 -4.453 426 HA CYS 59 HA CYS 59 -0.205 5.463 -1.635 427 HB2 CYS 59 1HB CYS 59 2.001 4.536 -2.222 428 HB3 CYS 59 2HB CYS 59 0.726 3.878 -3.241 429 HG CYS 59 HG CYS 59 1.766 4.536 -5.494 430 H GLU 60 H GLU 60 0.336 6.990 -0.234 431 HA GLU 60 HA GLU 60 2.359 8.974 -1.032 432 HB2 GLU 60 1HB GLU 60 -0.305 9.397 0.257 433 HB3 GLU 60 2HB GLU 60 1.023 10.467 0.683 434 HG2 GLU 60 1HG GLU 60 1.172 11.350 -1.449 435 HG3 GLU 60 2HG GLU 60 0.348 9.976 -2.184 436 H ALA 61 H ALA 61 3.996 9.262 0.363 437 HA ALA 61 HA ALA 61 5.434 8.617 2.040 438 HB1 ALA 61 3HB ALA 61 3.498 10.369 2.928 439 HB2 ALA 61 1HB ALA 61 3.525 9.118 4.171 440 HB3 ALA 61 2HB ALA 61 5.007 9.979 3.753 441 H GLY 62 H GLY 62 4.395 6.330 1.038 442 HA2 GLY 62 1HA GLY 62 4.160 4.105 1.555 443 HA3 GLY 62 2HA GLY 62 4.669 4.518 3.186 444 H VAL 63 H VAL 63 1.855 5.926 1.653 445 HA VAL 63 HA VAL 63 0.146 4.356 3.472 446 HB VAL 63 HB VAL 63 -0.264 7.232 2.642 447 HG11 VAL 63 1HG1 VAL 63 -2.061 5.257 3.671 448 HG12 VAL 63 2HG1 VAL 63 -1.849 6.542 4.862 449 HG13 VAL 63 3HG1 VAL 63 -2.384 6.933 3.227 450 HG21 VAL 63 3HG2 VAL 63 0.587 7.925 4.643 451 HG22 VAL 63 1HG2 VAL 63 0.171 6.422 5.466 452 HG23 VAL 63 2HG2 VAL 63 1.574 6.484 4.400 453 H ALA 64 H ALA 64 -0.513 2.847 1.972 454 HA ALA 64 HA ALA 64 -1.370 3.492 -0.657 455 HB1 ALA 64 3HB ALA 64 -2.580 1.089 -0.040 456 HB2 ALA 64 1HB ALA 64 -0.984 1.301 -0.760 457 HB3 ALA 64 2HB ALA 64 -1.145 1.109 0.986 458 H GLU 65 H GLU 65 -3.267 4.221 -1.375 459 HA GLU 65 HA GLU 65 -5.618 4.006 0.380 460 HB2 GLU 65 1HB GLU 65 -4.636 6.447 -1.094 461 HB3 GLU 65 2HB GLU 65 -6.282 6.296 -0.496 462 HG2 GLU 65 1HG GLU 65 -4.024 5.852 1.388 463 HG3 GLU 65 2HG GLU 65 -4.432 7.499 0.911 464 H LEU 66 H LEU 66 -7.613 3.809 -0.654 465 HA LEU 66 HA LEU 66 -7.563 3.529 -3.576 466 HB2 LEU 66 1HB LEU 66 -7.328 1.304 -2.554 467 HB3 LEU 66 2HB LEU 66 -8.826 1.569 -1.665 468 HG LEU 66 HG LEU 66 -10.000 1.727 -3.879 469 HD11 LEU 66 1HD1 LEU 66 -8.926 0.970 -5.859 470 HD12 LEU 66 2HD1 LEU 66 -7.464 0.534 -4.976 471 HD13 LEU 66 3HD1 LEU 66 -7.906 2.230 -5.164 472 HD21 LEU 66 3HD2 LEU 66 -10.075 -0.674 -4.212 473 HD22 LEU 66 1HD2 LEU 66 -10.025 -0.300 -2.489 474 HD23 LEU 66 2HD2 LEU 66 -8.571 -0.868 -3.310 475 H HIS 67 H HIS 67 -8.786 5.282 -4.048 476 HA HIS 67 HA HIS 67 -11.140 5.961 -2.544 477 HB2 HIS 67 1HB HIS 67 -9.977 7.044 -5.114 478 HB3 HIS 67 2HB HIS 67 -11.443 7.679 -4.370 479 HD1 HIS 67 HD1 HIS 67 -10.798 9.865 -3.405 480 HD2 HIS 67 HD2 HIS 67 -7.962 6.930 -2.628 481 HE1 HIS 67 HE1 HIS 67 -9.095 10.955 -1.910 482 HE2 HIS 67 HE2 HIS 67 -7.344 9.186 -1.523 483 H ILE 68 H ILE 68 -12.950 4.823 -2.720 484 HA ILE 68 HA ILE 68 -13.753 3.876 -5.393 485 HB ILE 68 HB ILE 68 -14.307 2.531 -2.746 486 HG12 ILE 68 1HG1 ILE 68 -11.981 2.262 -3.525 487 HG13 ILE 68 2HG1 ILE 68 -12.867 0.741 -3.581 488 HG21 ILE 68 1HG2 ILE 68 -16.077 1.682 -3.803 489 HG22 ILE 68 2HG2 ILE 68 -15.547 2.311 -5.362 490 HG23 ILE 68 3HG2 ILE 68 -14.924 0.768 -4.776 491 HD11 ILE 68 3HD1 ILE 68 -12.101 2.520 -5.873 492 HD12 ILE 68 1HD1 ILE 68 -11.587 0.863 -5.556 493 HD13 ILE 68 2HD1 ILE 68 -13.255 1.196 -6.024 494 H GLN 69 H GLN 69 -15.146 5.491 -5.944 495 HA GLN 69 HA GLN 69 -17.133 6.437 -4.062 496 HB2 GLN 69 1HB GLN 69 -17.824 7.937 -5.882 497 HB3 GLN 69 2HB GLN 69 -16.094 8.036 -5.579 498 HG2 GLN 69 1HG GLN 69 -15.780 6.434 -7.492 499 HG3 GLN 69 2HG GLN 69 -17.490 6.660 -7.855 500 HE21 GLN 69 1HE2 GLN 69 -16.562 7.397 -9.920 501 HE22 GLN 69 2HE2 GLN 69 -16.110 9.058 -10.066 502 H ASP 70 H ASP 70 -19.419 6.395 -4.508 503 HA ASP 70 HA ASP 70 -21.362 5.283 -4.918 504 HB2 ASP 70 1HB ASP 70 -19.857 4.967 -7.493 505 HB3 ASP 70 2HB ASP 70 -21.406 4.155 -7.281 506 H ALA 71 H ALA 71 -19.870 3.900 -3.213 507 HA ALA 71 HA ALA 71 -19.075 1.315 -3.918 508 HB1 ALA 71 3HB ALA 71 -18.801 0.926 -1.676 509 HB2 ALA 71 1HB ALA 71 -18.802 2.690 -1.698 510 HB3 ALA 71 2HB ALA 71 -20.260 1.812 -1.231 511 H LEU 72 H LEU 72 -20.517 0.243 -5.224 512 HA LEU 72 HA LEU 72 -23.294 -0.015 -4.499 513 HB2 LEU 72 1HB LEU 72 -21.576 -1.071 -6.710 514 HB3 LEU 72 2HB LEU 72 -23.190 -1.727 -6.443 515 HG LEU 72 HG LEU 72 -22.762 1.217 -6.831 516 HD11 LEU 72 1HD1 LEU 72 -23.386 0.746 -9.245 517 HD12 LEU 72 2HD1 LEU 72 -22.925 -0.927 -8.929 518 HD13 LEU 72 3HD1 LEU 72 -21.733 0.362 -8.764 519 HD21 LEU 72 3HD2 LEU 72 -25.090 -0.633 -7.341 520 HD22 LEU 72 1HD2 LEU 72 -25.074 1.108 -7.624 521 HD23 LEU 72 2HD2 LEU 72 -24.924 0.480 -5.982 522 HA PRO 73 HA PRO 73 -23.149 -3.711 -2.137 523 HB2 PRO 73 1HB PRO 73 -25.408 -4.978 -2.948 524 HB3 PRO 73 2HB PRO 73 -25.430 -3.538 -1.925 525 HG2 PRO 73 1HG PRO 73 -25.854 -3.768 -4.879 526 HG3 PRO 73 2HG PRO 73 -26.747 -2.798 -3.693 527 HD2 PRO 73 1HD PRO 73 -24.846 -1.741 -5.305 528 HD3 PRO 73 2HD PRO 73 -25.151 -1.136 -3.665 529 H GLU 74 H GLU 74 -22.771 -3.751 -5.476 530 HA GLU 74 HA GLU 74 -22.584 -6.640 -5.726 531 HB2 GLU 74 1HB GLU 74 -22.205 -6.265 -8.060 532 HB3 GLU 74 2HB GLU 74 -23.511 -5.203 -7.553 533 HG2 GLU 74 1HG GLU 74 -21.972 -3.326 -7.454 534 HG3 GLU 74 2HG GLU 74 -20.638 -4.382 -7.915 535 H ASP 75 H ASP 75 -20.536 -3.932 -5.136 536 HA ASP 75 HA ASP 75 -18.088 -5.144 -5.979 537 HB2 ASP 75 1HB ASP 75 -18.474 -2.666 -5.760 538 HB3 ASP 75 2HB ASP 75 -18.433 -2.876 -4.012 539 H HIS 76 H HIS 76 -19.965 -5.124 -3.045 540 HA HIS 76 HA HIS 76 -18.275 -5.726 -1.041 541 HB2 HIS 76 1HB HIS 76 -20.458 -5.825 -0.339 542 HB3 HIS 76 2HB HIS 76 -20.982 -6.747 -1.745 543 HD1 HIS 76 HD1 HIS 76 -21.456 -9.136 -1.317 544 HD2 HIS 76 HD2 HIS 76 -18.885 -7.535 1.526 545 HE1 HIS 76 HE1 HIS 76 -21.089 -10.969 0.365 546 HE2 HIS 76 HE2 HIS 76 -19.598 -9.949 2.121 547 H GLY 77 H GLY 77 -16.430 -6.852 -1.277 548 HA2 GLY 77 1HA GLY 77 -16.634 -9.711 -1.700 549 HA3 GLY 77 2HA GLY 77 -15.727 -8.851 -2.936 550 H THR 78 H THR 78 -13.671 -9.429 -2.579 551 HA THR 78 HA THR 78 -12.556 -8.848 0.081 552 HB THR 78 HB THR 78 -11.627 -11.164 -1.616 553 HG1 THR 78 HG1 THR 78 -12.761 -12.321 0.247 554 HG21 THR 78 3HG2 THR 78 -11.128 -10.350 1.248 555 HG22 THR 78 1HG2 THR 78 -9.957 -10.374 -0.070 556 HG23 THR 78 2HG2 THR 78 -10.620 -11.887 0.548 557 H TYR 79 H TYR 79 -11.169 -7.226 -0.131 558 HA TYR 79 HA TYR 79 -9.834 -6.751 -2.669 559 HB2 TYR 79 1HB TYR 79 -10.129 -5.175 -0.126 560 HB3 TYR 79 2HB TYR 79 -8.944 -4.712 -1.342 561 HD1 TYR 79 HD2 TYR 79 -12.525 -5.006 -0.592 562 HD2 TYR 79 HD1 TYR 79 -9.632 -3.767 -3.455 563 HE1 TYR 79 HE2 TYR 79 -14.274 -3.794 -1.826 564 HE2 TYR 79 HE1 TYR 79 -11.372 -2.550 -4.696 565 HH TYR 79 HH TYR 79 -14.754 -2.561 -3.603 566 H THR 80 H THR 80 -7.609 -6.687 -2.958 567 HA THR 80 HA THR 80 -5.909 -7.592 -0.755 568 HB THR 80 HB THR 80 -5.966 -8.952 -3.456 569 HG1 THR 80 HG1 THR 80 -6.954 -10.589 -2.434 570 HG21 THR 80 3HG2 THR 80 -4.415 -10.140 -1.268 571 HG22 THR 80 1HG2 THR 80 -3.782 -8.602 -1.853 572 HG23 THR 80 2HG2 THR 80 -4.005 -9.946 -2.973 573 H CYS 81 H CYS 81 -4.482 -5.983 -0.610 574 HA CYS 81 HA CYS 81 -3.521 -4.673 -3.039 575 HB2 CYS 81 1HB CYS 81 -4.334 -3.465 -0.876 576 HB3 CYS 81 2HB CYS 81 -2.737 -3.865 -0.257 577 HG CYS 81 HG CYS 81 -1.450 -2.540 -2.461 578 H LEU 82 H LEU 82 -1.891 -5.746 -3.972 579 HA LEU 82 HA LEU 82 0.075 -7.160 -2.382 580 HB2 LEU 82 1HB LEU 82 -0.596 -8.280 -4.345 581 HB3 LEU 82 2HB LEU 82 -0.383 -6.836 -5.333 582 HG LEU 82 HG LEU 82 2.042 -7.024 -5.095 583 HD11 LEU 82 1HD1 LEU 82 2.014 -9.733 -4.010 584 HD12 LEU 82 2HD1 LEU 82 1.502 -8.501 -2.857 585 HD13 LEU 82 3HD1 LEU 82 3.075 -8.372 -3.644 586 HD21 LEU 82 3HD2 LEU 82 1.817 -9.677 -5.999 587 HD22 LEU 82 1HD2 LEU 82 1.881 -8.204 -6.966 588 HD23 LEU 82 2HD2 LEU 82 0.324 -8.860 -6.463 589 H ALA 83 H ALA 83 2.205 -6.621 -2.133 590 HA ALA 83 HA ALA 83 3.211 -4.200 -3.426 591 HB1 ALA 83 3HB ALA 83 4.138 -3.942 -0.824 592 HB2 ALA 83 1HB ALA 83 2.896 -2.963 -1.605 593 HB3 ALA 83 2HB ALA 83 2.436 -4.369 -0.645 594 H GLU 84 H GLU 84 4.908 -5.034 -4.480 595 HA GLU 84 HA GLU 84 6.912 -6.485 -2.895 596 HB2 GLU 84 1HB GLU 84 7.315 -8.050 -4.675 597 HB3 GLU 84 2HB GLU 84 5.600 -8.080 -4.288 598 HG2 GLU 84 1HG GLU 84 5.192 -6.576 -6.216 599 HG3 GLU 84 2HG GLU 84 6.899 -6.717 -6.634 600 H ASN 85 H ASN 85 9.057 -6.125 -3.464 601 HA ASN 85 HA ASN 85 9.554 -4.153 -5.582 602 HB2 ASN 85 1HB ASN 85 11.013 -2.859 -4.158 603 HB3 ASN 85 2HB ASN 85 9.447 -3.007 -3.364 604 HD21 ASN 85 1HD2 ASN 85 10.977 -2.340 -1.571 605 HD22 ASN 85 2HD2 ASN 85 11.685 -3.621 -0.653 606 H ALA 86 H ALA 86 12.189 -3.854 -5.506 607 HA ALA 86 HA ALA 86 13.191 -6.251 -6.590 608 HB1 ALA 86 3HB ALA 86 13.958 -3.862 -7.046 609 HB2 ALA 86 1HB ALA 86 14.925 -4.018 -5.579 610 HB3 ALA 86 2HB ALA 86 15.206 -5.104 -6.941 611 H LEU 87 H LEU 87 12.866 -5.239 -3.369 612 HA LEU 87 HA LEU 87 15.056 -6.868 -2.368 613 HB2 LEU 87 1HB LEU 87 13.100 -4.965 -1.172 614 HB3 LEU 87 2HB LEU 87 13.878 -6.154 -0.129 615 HG LEU 87 HG LEU 87 14.904 -3.810 -0.274 616 HD11 LEU 87 1HD1 LEU 87 16.364 -5.088 0.841 617 HD12 LEU 87 2HD1 LEU 87 17.259 -5.121 -0.677 618 HD13 LEU 87 3HD1 LEU 87 16.172 -6.447 -0.266 619 HD21 LEU 87 3HD2 LEU 87 15.875 -4.958 -2.890 620 HD22 LEU 87 1HD2 LEU 87 16.490 -3.495 -2.120 621 HD23 LEU 87 2HD2 LEU 87 14.822 -3.557 -2.688 622 H GLY 88 H GLY 88 11.681 -6.670 -1.255 623 HA2 GLY 88 1HA GLY 88 11.586 -9.621 -1.352 624 HA3 GLY 88 2HA GLY 88 10.989 -8.719 0.032 625 H GLN 89 H GLN 89 8.964 -9.823 -0.333 626 HA GLN 89 HA GLN 89 7.204 -8.260 -1.990 627 HB2 GLN 89 1HB GLN 89 6.298 -10.183 -3.243 628 HB3 GLN 89 2HB GLN 89 7.979 -9.858 -3.645 629 HG2 GLN 89 1HG GLN 89 8.733 -11.714 -2.377 630 HG3 GLN 89 2HG GLN 89 7.141 -11.946 -1.655 631 HE21 GLN 89 1HE2 GLN 89 5.482 -11.812 -3.782 632 HE22 GLN 89 2HE2 GLN 89 5.811 -13.099 -4.887 633 H VAL 90 H VAL 90 5.282 -8.069 -1.025 634 HA VAL 90 HA VAL 90 4.378 -10.179 0.800 635 HB VAL 90 HB VAL 90 3.834 -8.658 2.557 636 HG11 VAL 90 1HG1 VAL 90 6.111 -9.447 2.611 637 HG12 VAL 90 2HG1 VAL 90 6.626 -8.143 1.540 638 HG13 VAL 90 3HG1 VAL 90 6.064 -7.776 3.172 639 HG21 VAL 90 3HG2 VAL 90 4.220 -6.271 2.445 640 HG22 VAL 90 1HG2 VAL 90 4.870 -6.426 0.812 641 HG23 VAL 90 2HG2 VAL 90 3.167 -6.766 1.120 642 H SER 91 H SER 91 2.106 -10.152 1.234 643 HA SER 91 HA SER 91 0.474 -8.385 -0.426 644 HB2 SER 91 1HB SER 91 -0.681 -10.126 -1.539 645 HB3 SER 91 2HB SER 91 1.024 -10.556 -1.673 646 HG SER 91 HG SER 91 -0.827 -11.584 0.220 647 H CYS 92 H CYS 92 -1.538 -7.968 0.396 648 HA CYS 92 HA CYS 92 -2.373 -9.438 2.794 649 HB2 CYS 92 1HB CYS 92 -2.609 -7.551 4.114 650 HB3 CYS 92 2HB CYS 92 -1.154 -7.156 3.207 651 HG CYS 92 HG CYS 92 -2.917 -5.770 1.241 652 H SER 93 H SER 93 -4.661 -8.999 3.379 653 HA SER 93 HA SER 93 -6.321 -8.057 1.168 654 HB2 SER 93 1HB SER 93 -7.620 -10.049 1.014 655 HB3 SER 93 2HB SER 93 -5.934 -10.560 0.940 656 HG SER 93 HG SER 93 -6.374 -11.765 2.591 657 H ALA 94 H ALA 94 -8.704 -8.112 1.847 658 HA ALA 94 HA ALA 94 -9.177 -7.928 4.697 659 HB1 ALA 94 3HB ALA 94 -8.449 -5.611 3.305 660 HB2 ALA 94 1HB ALA 94 -10.192 -5.500 3.547 661 HB3 ALA 94 2HB ALA 94 -9.122 -5.721 4.931 662 H TRP 95 H TRP 95 -11.515 -7.308 5.123 663 HA TRP 95 HA TRP 95 -13.227 -8.358 2.965 664 HB2 TRP 95 1HB TRP 95 -12.972 -9.956 4.840 665 HB3 TRP 95 2HB TRP 95 -13.606 -8.738 5.943 666 HD1 TRP 95 HD1 TRP 95 -16.207 -7.796 5.013 667 HE1 TRP 95 HE1 TRP 95 -18.190 -9.306 4.369 668 HE3 TRP 95 HE3 TRP 95 -13.658 -12.128 4.075 669 HZ2 TRP 95 HZ2 TRP 95 -18.617 -11.979 3.570 670 HZ3 TRP 95 HZ3 TRP 95 -14.929 -14.116 3.376 671 HH2 TRP 95 HH2 TRP 95 -17.357 -14.041 3.130 672 H VAL 96 H VAL 96 -14.266 -6.647 2.150 673 HA VAL 96 HA VAL 96 -15.321 -4.621 4.001 674 HB VAL 96 HB VAL 96 -14.878 -4.466 1.017 675 HG11 VAL 96 1HG1 VAL 96 -15.540 -2.144 1.179 676 HG12 VAL 96 2HG1 VAL 96 -16.846 -3.179 1.761 677 HG13 VAL 96 3HG1 VAL 96 -15.822 -2.317 2.911 678 HG21 VAL 96 3HG2 VAL 96 -13.073 -2.996 1.492 679 HG22 VAL 96 1HG2 VAL 96 -13.495 -2.925 3.202 680 HG23 VAL 96 2HG2 VAL 96 -12.852 -4.416 2.514 681 H THR 97 H THR 97 -17.460 -4.284 4.208 682 HA THR 97 HA THR 97 -19.261 -5.789 2.424 683 HB THR 97 HB THR 97 -19.793 -5.227 5.344 684 HG1 THR 97 HG1 THR 97 -18.012 -6.828 4.612 685 HG21 THR 97 3HG2 THR 97 -21.655 -6.663 5.123 686 HG22 THR 97 1HG2 THR 97 -21.115 -7.252 3.551 687 HG23 THR 97 2HG2 THR 97 -21.716 -5.602 3.715 688 H VAL 98 H VAL 98 -21.051 -4.754 1.663 689 HA VAL 98 HA VAL 98 -21.318 -1.909 2.384 690 HB VAL 98 HB VAL 98 -22.106 -3.258 -0.203 691 HG11 VAL 98 1HG1 VAL 98 -22.457 -0.502 0.871 692 HG12 VAL 98 2HG1 VAL 98 -22.164 -0.714 -0.856 693 HG13 VAL 98 3HG1 VAL 98 -23.557 -1.484 -0.096 694 HG21 VAL 98 3HG2 VAL 98 -19.605 -2.104 0.725 695 HG22 VAL 98 1HG2 VAL 98 -19.937 -3.088 -0.700 696 HG23 VAL 98 2HG2 VAL 98 -20.194 -1.344 -0.754 697 H HIS 99 H HIS 99 -23.035 -1.477 3.588 698 HA HIS 99 HA HIS 99 -25.071 -3.186 4.278 699 HB2 HIS 99 1HB HIS 99 -25.100 -0.168 4.114 700 HB3 HIS 99 2HB HIS 99 -26.369 -1.117 4.884 701 HD1 HIS 99 HD1 HIS 99 -25.336 -2.797 6.860 702 HD2 HIS 99 HD2 HIS 99 -23.187 0.612 5.849 703 HE1 HIS 99 HE1 HIS 99 -23.797 -2.371 8.803 704 HE2 HIS 99 HE2 HIS 99 -22.568 -0.256 8.205 Start of MODEL 17 1 H1 GLY 1 H GLY 1 25.095 5.747 -3.058 2 HA2 GLY 1 1HA GLY 1 26.034 7.194 -5.408 3 HA3 GLY 1 2HA GLY 1 24.785 7.722 -4.290 4 H SER 2 H SER 2 28.273 7.337 -4.687 5 HA SER 2 HA SER 2 30.040 8.298 -3.583 6 HB2 SER 2 1HB SER 2 29.851 10.811 -3.496 7 HB3 SER 2 2HB SER 2 29.485 10.101 -5.068 8 HG SER 2 HG SER 2 27.583 10.904 -3.118 9 H SER 3 H SER 3 28.400 6.998 -1.774 10 HA SER 3 HA SER 3 28.615 8.761 0.575 11 HB2 SER 3 1HB SER 3 26.238 8.423 -0.046 12 HB3 SER 3 2HB SER 3 26.462 6.681 0.116 13 HG SER 3 HG SER 3 26.141 8.603 2.051 14 H GLY 4 H GLY 4 28.945 7.623 2.617 15 HA2 GLY 4 1HA GLY 4 30.800 5.421 2.255 16 HA3 GLY 4 2HA GLY 4 30.485 6.288 3.751 17 H SER 5 H SER 5 28.082 5.941 4.507 18 HA SER 5 HA SER 5 27.571 3.041 4.376 19 HB2 SER 5 1HB SER 5 28.370 3.980 6.595 20 HB3 SER 5 2HB SER 5 26.842 4.855 6.680 21 HG SER 5 HG SER 5 27.347 2.117 6.894 22 H SER 6 H SER 6 26.192 3.414 2.541 23 HA SER 6 HA SER 6 23.833 5.040 2.855 24 HB2 SER 6 1HB SER 6 23.263 4.326 0.612 25 HB3 SER 6 2HB SER 6 24.979 4.729 0.657 26 HG SER 6 HG SER 6 23.784 2.163 0.648 27 H GLY 7 H GLY 7 22.184 4.391 4.065 28 HA2 GLY 7 1HA GLY 7 21.672 2.055 5.278 29 HA3 GLY 7 2HA GLY 7 20.372 3.064 4.658 30 H MET 8 H MET 8 21.423 0.007 4.711 31 HA MET 8 HA MET 8 21.278 -0.847 2.032 32 HB2 MET 8 1HB MET 8 20.915 -3.096 2.977 33 HB3 MET 8 2HB MET 8 22.244 -2.254 3.762 34 HG2 MET 8 1HG MET 8 20.640 -1.620 5.581 35 HG3 MET 8 2HG MET 8 19.473 -2.705 4.829 36 HE1 MET 8 3HE MET 8 19.073 -3.687 6.796 37 HE2 MET 8 1HE MET 8 19.541 -5.377 6.611 38 HE3 MET 8 2HE MET 8 20.203 -4.419 7.936 39 H GLU 9 H GLU 9 19.601 -1.758 0.839 40 HA GLU 9 HA GLU 9 17.122 -0.556 0.949 41 HB2 GLU 9 1HB GLU 9 18.013 -3.154 -0.283 42 HB3 GLU 9 2HB GLU 9 16.364 -2.570 -0.453 43 HG2 GLU 9 1HG GLU 9 16.971 -0.823 -1.803 44 HG3 GLU 9 2HG GLU 9 18.610 -0.753 -1.160 45 H VAL 10 H VAL 10 15.032 -2.110 0.971 46 HA VAL 10 HA VAL 10 15.069 -3.848 3.314 47 HB VAL 10 HB VAL 10 13.571 -1.261 3.152 48 HG11 VAL 10 1HG1 VAL 10 12.086 -2.082 4.969 49 HG12 VAL 10 2HG1 VAL 10 11.801 -2.864 3.413 50 HG13 VAL 10 3HG1 VAL 10 12.696 -3.710 4.676 51 HG21 VAL 10 3HG2 VAL 10 15.672 -2.337 4.722 52 HG22 VAL 10 1HG2 VAL 10 14.929 -0.742 4.828 53 HG23 VAL 10 2HG2 VAL 10 14.285 -2.079 5.780 54 H ALA 11 H ALA 11 13.271 -5.252 3.456 55 HA ALA 11 HA ALA 11 12.097 -5.871 0.892 56 HB1 ALA 11 3HB ALA 11 12.120 -7.938 1.694 57 HB2 ALA 11 1HB ALA 11 12.759 -7.321 3.217 58 HB3 ALA 11 2HB ALA 11 11.017 -7.477 2.991 59 HA PRO 12 HA PRO 12 8.132 -4.061 1.392 60 HB2 PRO 12 1HB PRO 12 6.500 -5.942 0.312 61 HB3 PRO 12 2HB PRO 12 7.583 -4.937 -0.659 62 HG2 PRO 12 1HG PRO 12 7.958 -7.749 0.296 63 HG3 PRO 12 2HG PRO 12 8.314 -7.051 -1.295 64 HD2 PRO 12 1HD PRO 12 10.230 -7.483 0.568 65 HD3 PRO 12 2HD PRO 12 10.308 -6.138 -0.587 66 H SER 13 H SER 13 6.402 -3.967 2.778 67 HA SER 13 HA SER 13 5.370 -6.217 4.178 68 HB2 SER 13 1HB SER 13 7.478 -4.558 5.481 69 HB3 SER 13 2HB SER 13 6.114 -5.079 6.469 70 HG SER 13 HG SER 13 7.405 -6.772 6.653 71 H PHE 14 H PHE 14 3.978 -5.374 6.125 72 HA PHE 14 HA PHE 14 2.781 -2.788 5.390 73 HB2 PHE 14 1HB PHE 14 1.364 -5.397 5.941 74 HB3 PHE 14 2HB PHE 14 0.545 -3.839 5.975 75 HD1 PHE 14 HD2 PHE 14 0.599 -2.421 3.866 76 HD2 PHE 14 HD1 PHE 14 1.674 -6.539 3.938 77 HE1 PHE 14 HE2 PHE 14 0.252 -2.551 1.433 78 HE2 PHE 14 HE1 PHE 14 1.329 -6.675 1.505 79 HZ PHE 14 HZ PHE 14 0.616 -4.680 0.250 80 H SER 15 H SER 15 3.078 -1.466 7.051 81 HA SER 15 HA SER 15 3.511 -2.398 9.717 82 HB2 SER 15 1HB SER 15 4.534 -0.318 8.720 83 HB3 SER 15 2HB SER 15 2.948 0.442 8.846 84 HG SER 15 HG SER 15 4.076 0.956 10.685 85 H SER 16 H SER 16 0.808 -0.977 7.975 86 HA SER 16 HA SER 16 -0.916 -1.611 10.273 87 HB2 SER 16 1HB SER 16 -1.057 0.883 8.561 88 HB3 SER 16 2HB SER 16 -2.258 0.421 9.767 89 HG SER 16 HG SER 16 0.366 1.334 10.116 90 H VAL 17 H VAL 17 -1.297 -3.582 9.060 91 HA VAL 17 HA VAL 17 -2.242 -3.827 6.494 92 HB VAL 17 HB VAL 17 -3.319 -5.889 7.155 93 HG11 VAL 17 1HG1 VAL 17 -0.627 -5.184 7.873 94 HG12 VAL 17 2HG1 VAL 17 -1.241 -6.440 8.950 95 HG13 VAL 17 3HG1 VAL 17 -1.248 -6.692 7.204 96 HG21 VAL 17 3HG2 VAL 17 -4.014 -4.566 9.450 97 HG22 VAL 17 1HG2 VAL 17 -4.196 -6.299 9.175 98 HG23 VAL 17 2HG2 VAL 17 -2.775 -5.684 10.019 99 H LEU 18 H LEU 18 -4.488 -4.339 5.775 100 HA LEU 18 HA LEU 18 -6.203 -2.143 6.335 101 HB2 LEU 18 1HB LEU 18 -6.653 -4.685 4.782 102 HB3 LEU 18 2HB LEU 18 -7.804 -3.353 4.850 103 HG LEU 18 HG LEU 18 -5.015 -2.859 3.891 104 HD11 LEU 18 1HD1 LEU 18 -5.598 -3.445 1.652 105 HD12 LEU 18 2HD1 LEU 18 -7.252 -3.834 2.126 106 HD13 LEU 18 3HD1 LEU 18 -5.916 -4.845 2.677 107 HD21 LEU 18 3HD2 LEU 18 -6.420 -0.937 4.273 108 HD22 LEU 18 1HD2 LEU 18 -7.712 -1.645 3.302 109 HD23 LEU 18 2HD2 LEU 18 -6.198 -1.160 2.537 110 H LYS 19 H LYS 19 -8.390 -2.246 7.123 111 HA LYS 19 HA LYS 19 -8.881 -4.481 8.978 112 HB2 LYS 19 1HB LYS 19 -9.433 -1.552 9.493 113 HB3 LYS 19 2HB LYS 19 -9.843 -2.877 10.575 114 HG2 LYS 19 1HG LYS 19 -7.900 -2.143 11.521 115 HG3 LYS 19 2HG LYS 19 -7.276 -3.381 10.429 116 HD2 LYS 19 1HD LYS 19 -6.702 -1.701 8.789 117 HD3 LYS 19 2HD LYS 19 -7.443 -0.439 9.776 118 HE2 LYS 19 1HE LYS 19 -5.064 -2.121 10.562 119 HE3 LYS 19 2HE LYS 19 -4.997 -0.457 9.984 120 HZ1 LYS 19 3HZ LYS 19 -5.277 0.205 12.063 121 HZ2 LYS 19 1HZ LYS 19 -5.444 -1.391 12.601 122 HZ3 LYS 19 2HZ LYS 19 -6.804 -0.523 12.095 123 H ASP 20 H ASP 20 -11.186 -4.676 9.621 124 HA ASP 20 HA ASP 20 -12.848 -4.766 7.334 125 HB2 ASP 20 1HB ASP 20 -14.524 -5.671 8.767 126 HB3 ASP 20 2HB ASP 20 -12.980 -6.283 9.354 127 H CYS 21 H CYS 21 -14.735 -3.607 6.846 128 HA CYS 21 HA CYS 21 -15.379 -1.238 8.391 129 HB2 CYS 21 1HB CYS 21 -14.019 -1.157 5.743 130 HB3 CYS 21 2HB CYS 21 -15.294 0.018 6.039 131 HG CYS 21 HG CYS 21 -12.444 -0.360 7.894 132 H ALA 22 H ALA 22 -17.180 0.027 7.103 133 HA ALA 22 HA ALA 22 -18.902 -1.774 5.590 134 HB1 ALA 22 3HB ALA 22 -20.776 -1.595 7.028 135 HB2 ALA 22 1HB ALA 22 -19.411 -2.067 8.040 136 HB3 ALA 22 2HB ALA 22 -19.973 -0.395 8.040 137 H VAL 23 H VAL 23 -20.540 -0.710 4.405 138 HA VAL 23 HA VAL 23 -20.644 2.198 4.500 139 HB VAL 23 HB VAL 23 -18.792 1.459 2.885 140 HG11 VAL 23 1HG1 VAL 23 -19.260 0.317 0.997 141 HG12 VAL 23 2HG1 VAL 23 -20.632 -0.269 1.938 142 HG13 VAL 23 3HG1 VAL 23 -20.843 1.068 0.807 143 HG21 VAL 23 3HG2 VAL 23 -20.068 3.688 2.986 144 HG22 VAL 23 1HG2 VAL 23 -19.174 3.308 1.514 145 HG23 VAL 23 2HG2 VAL 23 -20.925 3.100 1.561 146 H ILE 24 H ILE 24 -22.458 3.092 3.423 147 HA ILE 24 HA ILE 24 -24.645 1.175 3.107 148 HB ILE 24 HB ILE 24 -24.566 4.141 3.577 149 HG12 ILE 24 1HG1 ILE 24 -26.165 2.033 5.017 150 HG13 ILE 24 2HG1 ILE 24 -24.487 2.362 5.431 151 HG21 ILE 24 1HG2 ILE 24 -26.781 2.503 2.428 152 HG22 ILE 24 2HG2 ILE 24 -27.157 3.850 3.501 153 HG23 ILE 24 3HG2 ILE 24 -26.257 4.134 2.012 154 HD11 ILE 24 3HD1 ILE 24 -24.988 4.546 6.139 155 HD12 ILE 24 1HD1 ILE 24 -26.589 4.501 5.401 156 HD13 ILE 24 2HD1 ILE 24 -26.244 3.515 6.822 157 H GLU 25 H GLU 25 -26.000 1.151 1.298 158 HA GLU 25 HA GLU 25 -24.805 1.366 -1.191 159 HB2 GLU 25 1HB GLU 25 -26.977 0.153 -0.479 160 HB3 GLU 25 2HB GLU 25 -27.773 1.679 -0.838 161 HG2 GLU 25 1HG GLU 25 -26.919 1.579 -3.129 162 HG3 GLU 25 2HG GLU 25 -26.144 0.038 -2.765 163 H GLY 26 H GLY 26 -24.095 3.113 -2.211 164 HA2 GLY 26 1HA GLY 26 -24.682 5.100 -3.463 165 HA3 GLY 26 2HA GLY 26 -25.776 5.535 -2.158 166 H GLN 27 H GLN 27 -23.446 4.552 -0.336 167 HA GLN 27 HA GLN 27 -22.277 7.193 -0.065 168 HB2 GLN 27 1HB GLN 27 -22.285 4.707 1.615 169 HB3 GLN 27 2HB GLN 27 -21.133 5.995 1.941 170 HG2 GLN 27 1HG GLN 27 -23.335 7.468 1.861 171 HG3 GLN 27 2HG GLN 27 -24.069 5.930 2.314 172 HE21 GLN 27 1HE2 GLN 27 -22.384 4.794 3.993 173 HE22 GLN 27 2HE2 GLN 27 -22.096 5.780 5.382 174 H ASP 28 H ASP 28 -19.816 6.906 0.837 175 HA ASP 28 HA ASP 28 -18.358 5.372 -1.210 176 HB2 ASP 28 1HB ASP 28 -16.696 7.253 -1.262 177 HB3 ASP 28 2HB ASP 28 -18.277 7.661 -1.924 178 H PHE 29 H PHE 29 -16.153 4.819 -0.634 179 HA PHE 29 HA PHE 29 -15.318 5.122 2.109 180 HB2 PHE 29 1HB PHE 29 -15.407 2.867 2.783 181 HB3 PHE 29 2HB PHE 29 -16.971 3.161 2.031 182 HD1 PHE 29 HD2 PHE 29 -13.590 1.791 1.336 183 HD2 PHE 29 HD1 PHE 29 -17.722 1.793 0.313 184 HE1 PHE 29 HE2 PHE 29 -13.213 -0.111 -0.179 185 HE2 PHE 29 HE1 PHE 29 -17.352 -0.109 -1.203 186 HZ PHE 29 HZ PHE 29 -15.095 -1.063 -1.452 187 H VAL 30 H VAL 30 -13.163 5.193 2.207 188 HA VAL 30 HA VAL 30 -11.637 4.068 -0.052 189 HB VAL 30 HB VAL 30 -11.560 6.482 -0.162 190 HG11 VAL 30 1HG1 VAL 30 -10.292 6.575 2.557 191 HG12 VAL 30 2HG1 VAL 30 -10.957 7.900 1.598 192 HG13 VAL 30 3HG1 VAL 30 -12.037 6.721 2.344 193 HG21 VAL 30 3HG2 VAL 30 -8.980 6.702 0.492 194 HG22 VAL 30 1HG2 VAL 30 -9.134 4.947 0.562 195 HG23 VAL 30 2HG2 VAL 30 -9.530 5.808 -0.925 196 H LEU 31 H LEU 31 -10.652 2.284 0.646 197 HA LEU 31 HA LEU 31 -10.011 1.748 3.344 198 HB2 LEU 31 1HB LEU 31 -8.898 0.473 0.849 199 HB3 LEU 31 2HB LEU 31 -8.809 -0.189 2.480 200 HG LEU 31 HG LEU 31 -11.472 0.349 1.224 201 HD11 LEU 31 1HD1 LEU 31 -9.684 -1.171 -0.118 202 HD12 LEU 31 2HD1 LEU 31 -11.428 -1.435 -0.140 203 HD13 LEU 31 3HD1 LEU 31 -10.408 -2.376 0.948 204 HD21 LEU 31 3HD2 LEU 31 -10.688 -0.545 3.693 205 HD22 LEU 31 1HD2 LEU 31 -11.031 -2.046 2.832 206 HD23 LEU 31 2HD2 LEU 31 -12.274 -0.802 2.964 207 H GLN 32 H GLN 32 -8.475 2.685 4.505 208 HA GLN 32 HA GLN 32 -6.046 3.630 3.141 209 HB2 GLN 32 1HB GLN 32 -7.459 5.315 4.360 210 HB3 GLN 32 2HB GLN 32 -7.073 4.472 5.854 211 HG2 GLN 32 1HG GLN 32 -4.600 4.855 5.017 212 HG3 GLN 32 2HG GLN 32 -5.361 6.181 4.137 213 HE21 GLN 32 1HE2 GLN 32 -4.862 7.966 5.201 214 HE22 GLN 32 2HE2 GLN 32 -5.057 8.218 6.899 215 H CYS 33 H CYS 33 -4.124 2.767 3.627 216 HA CYS 33 HA CYS 33 -3.782 1.294 6.124 217 HB2 CYS 33 1HB CYS 33 -2.790 -0.638 4.938 218 HB3 CYS 33 2HB CYS 33 -4.493 -0.420 4.552 219 HG CYS 33 HG CYS 33 -3.966 0.801 2.065 220 H SER 34 H SER 34 -1.378 0.410 6.124 221 HA SER 34 HA SER 34 0.355 2.555 5.086 222 HB2 SER 34 1HB SER 34 -0.126 2.601 7.607 223 HB3 SER 34 2HB SER 34 0.852 1.137 7.702 224 HG SER 34 HG SER 34 2.184 2.892 8.050 225 H VAL 35 H VAL 35 1.817 1.811 3.714 226 HA VAL 35 HA VAL 35 2.787 -0.954 4.045 227 HB VAL 35 HB VAL 35 1.502 -0.882 2.034 228 HG11 VAL 35 1HG1 VAL 35 1.165 1.176 1.202 229 HG12 VAL 35 2HG1 VAL 35 2.737 1.763 1.747 230 HG13 VAL 35 3HG1 VAL 35 2.609 0.841 0.249 231 HG21 VAL 35 3HG2 VAL 35 4.462 -0.756 1.494 232 HG22 VAL 35 1HG2 VAL 35 3.478 -2.188 1.798 233 HG23 VAL 35 2HG2 VAL 35 3.275 -1.280 0.300 234 H ARG 36 H ARG 36 4.948 -1.304 4.042 235 HA ARG 36 HA ARG 36 6.684 1.043 3.635 236 HB2 ARG 36 1HB ARG 36 8.194 -0.469 5.257 237 HB3 ARG 36 2HB ARG 36 7.060 0.735 5.854 238 HG2 ARG 36 1HG ARG 36 5.491 -0.870 6.471 239 HG3 ARG 36 2HG ARG 36 6.222 -2.110 5.449 240 HD2 ARG 36 1HD ARG 36 7.018 -2.795 7.469 241 HD3 ARG 36 2HD ARG 36 8.296 -1.660 7.036 242 HE ARG 36 HE ARG 36 6.336 -1.362 9.136 243 HH11 ARG 36 2HH1 ARG 36 8.639 0.236 7.071 244 HH12 ARG 36 1HH1 ARG 36 8.836 1.597 8.125 245 HH21 ARG 36 2HH2 ARG 36 6.588 0.424 10.532 246 HH22 ARG 36 1HH2 ARG 36 7.670 1.702 10.093 247 H GLY 37 H GLY 37 9.112 0.113 3.491 248 HA2 GLY 37 1HA GLY 37 10.232 -1.966 2.561 249 HA3 GLY 37 2HA GLY 37 9.020 -1.856 1.294 250 H THR 38 H THR 38 12.025 -1.681 1.299 251 HA THR 38 HA THR 38 12.192 0.796 -0.275 252 HB THR 38 HB THR 38 14.315 -0.165 1.654 253 HG1 THR 38 HG1 THR 38 12.320 1.809 1.772 254 HG21 THR 38 3HG2 THR 38 14.737 2.490 0.730 255 HG22 THR 38 1HG2 THR 38 14.504 1.453 -0.677 256 HG23 THR 38 2HG2 THR 38 15.761 1.073 0.500 257 HA PRO 39 HA PRO 39 12.917 1.647 -1.904 258 HB2 PRO 39 1HB PRO 39 12.107 1.380 -4.481 259 HB3 PRO 39 2HB PRO 39 13.791 1.670 -4.028 260 HG2 PRO 39 1HG PRO 39 12.440 -0.901 -4.753 261 HG3 PRO 39 2HG PRO 39 14.031 -0.295 -5.248 262 HD2 PRO 39 1HD PRO 39 13.718 -2.129 -3.281 263 HD3 PRO 39 2HD PRO 39 15.028 -0.932 -3.270 264 H VAL 40 H VAL 40 10.800 2.570 -2.550 265 HA VAL 40 HA VAL 40 8.669 1.425 -1.240 266 HB VAL 40 HB VAL 40 8.566 3.322 -3.588 267 HG11 VAL 40 1HG1 VAL 40 6.465 2.049 -2.033 268 HG12 VAL 40 2HG1 VAL 40 6.367 3.811 -2.000 269 HG13 VAL 40 3HG1 VAL 40 6.365 2.955 -3.543 270 HG21 VAL 40 3HG2 VAL 40 9.827 4.317 -1.846 271 HG22 VAL 40 1HG2 VAL 40 8.206 5.004 -1.738 272 HG23 VAL 40 2HG2 VAL 40 8.706 3.743 -0.611 273 HA PRO 41 HA PRO 41 7.639 -1.945 -3.971 274 HB2 PRO 41 1HB PRO 41 5.529 -2.839 -2.515 275 HB3 PRO 41 2HB PRO 41 7.209 -3.155 -2.066 276 HG2 PRO 41 1HG PRO 41 5.325 -1.079 -1.016 277 HG3 PRO 41 2HG PRO 41 6.459 -2.112 -0.127 278 HD2 PRO 41 1HD PRO 41 7.003 0.472 -0.723 279 HD3 PRO 41 2HD PRO 41 8.267 -0.771 -0.625 280 H ARG 42 H ARG 42 6.020 -2.424 -5.469 281 HA ARG 42 HA ARG 42 4.445 -0.223 -6.335 282 HB2 ARG 42 1HB ARG 42 4.841 -3.044 -7.226 283 HB3 ARG 42 2HB ARG 42 3.444 -2.165 -7.833 284 HG2 ARG 42 1HG ARG 42 5.278 -1.990 -9.389 285 HG3 ARG 42 2HG ARG 42 4.937 -0.410 -8.681 286 HD2 ARG 42 1HD ARG 42 6.850 -0.464 -7.344 287 HD3 ARG 42 2HD ARG 42 7.026 -2.211 -7.508 288 HE ARG 42 HE ARG 42 8.103 -0.223 -9.230 289 HH11 ARG 42 2HH1 ARG 42 6.765 -3.437 -9.196 290 HH12 ARG 42 1HH1 ARG 42 7.618 -3.948 -10.615 291 HH21 ARG 42 2HH2 ARG 42 9.232 -0.884 -11.099 292 HH22 ARG 42 1HH2 ARG 42 9.022 -2.495 -11.695 293 H ILE 43 H ILE 43 2.213 0.040 -6.357 294 HA ILE 43 HA ILE 43 0.773 -1.565 -4.355 295 HB ILE 43 HB ILE 43 0.128 1.216 -5.341 296 HG12 ILE 43 1HG1 ILE 43 2.058 1.473 -4.031 297 HG13 ILE 43 2HG1 ILE 43 0.746 1.756 -2.892 298 HG21 ILE 43 1HG2 ILE 43 -1.423 1.216 -3.379 299 HG22 ILE 43 2HG2 ILE 43 -1.878 0.111 -4.675 300 HG23 ILE 43 3HG2 ILE 43 -1.116 -0.513 -3.212 301 HD11 ILE 43 3HD1 ILE 43 1.049 -0.850 -2.499 302 HD12 ILE 43 1HD1 ILE 43 2.682 -0.471 -3.046 303 HD13 ILE 43 2HD1 ILE 43 2.007 0.358 -1.642 304 H THR 44 H THR 44 -0.560 -3.020 -5.185 305 HA THR 44 HA THR 44 -2.204 -2.280 -7.501 306 HB THR 44 HB THR 44 -0.813 -4.951 -7.223 307 HG1 THR 44 HG1 THR 44 -0.203 -2.600 -8.625 308 HG21 THR 44 3HG2 THR 44 -2.056 -4.127 -9.767 309 HG22 THR 44 1HG2 THR 44 -3.176 -4.488 -8.454 310 HG23 THR 44 2HG2 THR 44 -2.016 -5.706 -8.983 311 H TRP 45 H TRP 45 -4.267 -2.470 -6.959 312 HA TRP 45 HA TRP 45 -5.017 -4.319 -4.812 313 HB2 TRP 45 1HB TRP 45 -6.640 -2.102 -6.079 314 HB3 TRP 45 2HB TRP 45 -7.087 -3.040 -4.656 315 HD1 TRP 45 HD1 TRP 45 -4.152 -0.709 -5.699 316 HE1 TRP 45 HE1 TRP 45 -3.486 0.683 -3.639 317 HE3 TRP 45 HE3 TRP 45 -7.392 -2.708 -2.288 318 HZ2 TRP 45 HZ2 TRP 45 -4.234 0.903 -0.926 319 HZ3 TRP 45 HZ3 TRP 45 -7.352 -1.852 0.019 320 HH2 TRP 45 HH2 TRP 45 -5.805 -0.084 0.683 321 H LEU 46 H LEU 46 -6.586 -5.886 -5.062 322 HA LEU 46 HA LEU 46 -7.770 -6.248 -7.712 323 HB2 LEU 46 1HB LEU 46 -6.624 -8.639 -6.354 324 HB3 LEU 46 2HB LEU 46 -6.961 -8.373 -8.063 325 HG LEU 46 HG LEU 46 -4.995 -6.662 -7.894 326 HD11 LEU 46 1HD1 LEU 46 -4.936 -7.975 -5.302 327 HD12 LEU 46 2HD1 LEU 46 -4.110 -6.519 -5.855 328 HD13 LEU 46 3HD1 LEU 46 -3.406 -8.105 -6.169 329 HD21 LEU 46 3HD2 LEU 46 -3.477 -8.355 -8.616 330 HD22 LEU 46 1HD2 LEU 46 -5.084 -8.797 -9.194 331 HD23 LEU 46 2HD2 LEU 46 -4.397 -9.614 -7.789 332 H LEU 47 H LEU 47 -9.677 -7.481 -7.733 333 HA LEU 47 HA LEU 47 -10.961 -7.692 -5.109 334 HB2 LEU 47 1HB LEU 47 -12.003 -6.350 -6.949 335 HB3 LEU 47 2HB LEU 47 -12.236 -7.857 -7.832 336 HG LEU 47 HG LEU 47 -13.870 -8.615 -6.337 337 HD11 LEU 47 1HD1 LEU 47 -14.368 -7.328 -4.214 338 HD12 LEU 47 2HD1 LEU 47 -12.821 -6.517 -4.458 339 HD13 LEU 47 3HD1 LEU 47 -12.873 -8.265 -4.231 340 HD21 LEU 47 3HD2 LEU 47 -14.402 -5.661 -6.313 341 HD22 LEU 47 1HD2 LEU 47 -15.549 -6.992 -6.474 342 HD23 LEU 47 2HD2 LEU 47 -14.457 -6.604 -7.804 343 H ASN 48 H ASN 48 -10.178 -9.658 -4.377 344 HA ASN 48 HA ASN 48 -9.772 -11.935 -4.375 345 HB2 ASN 48 1HB ASN 48 -11.932 -13.189 -4.446 346 HB3 ASN 48 2HB ASN 48 -11.977 -11.767 -3.408 347 HD21 ASN 48 1HD2 ASN 48 -13.764 -10.647 -3.575 348 HD22 ASN 48 2HD2 ASN 48 -14.740 -10.479 -4.990 349 H GLY 49 H GLY 49 -8.873 -10.994 -6.792 350 HA2 GLY 49 1HA GLY 49 -8.705 -13.263 -8.364 351 HA3 GLY 49 2HA GLY 49 -10.036 -12.324 -9.024 352 H GLN 50 H GLN 50 -9.579 -10.766 -10.447 353 HA GLN 50 HA GLN 50 -6.787 -10.272 -11.081 354 HB2 GLN 50 1HB GLN 50 -9.393 -9.851 -12.457 355 HB3 GLN 50 2HB GLN 50 -8.055 -8.801 -12.906 356 HG2 GLN 50 1HG GLN 50 -7.897 -11.803 -12.921 357 HG3 GLN 50 2HG GLN 50 -8.334 -10.832 -14.327 358 HE21 GLN 50 1HE2 GLN 50 -5.791 -11.798 -12.184 359 HE22 GLN 50 2HE2 GLN 50 -4.482 -11.158 -13.112 360 HA PRO 51 HA PRO 51 -6.414 -6.284 -9.294 361 HB2 PRO 51 1HB PRO 51 -5.012 -4.924 -11.179 362 HB3 PRO 51 2HB PRO 51 -4.294 -6.190 -10.176 363 HG2 PRO 51 1HG PRO 51 -5.314 -6.350 -12.986 364 HG3 PRO 51 2HG PRO 51 -3.836 -7.041 -12.291 365 HD2 PRO 51 1HD PRO 51 -6.069 -8.511 -12.718 366 HD3 PRO 51 2HD PRO 51 -4.954 -8.836 -11.375 367 H ILE 52 H ILE 52 -7.713 -4.568 -9.073 368 HA ILE 52 HA ILE 52 -9.806 -4.048 -10.902 369 HB ILE 52 HB ILE 52 -8.850 -2.217 -8.701 370 HG12 ILE 52 1HG1 ILE 52 -10.906 -4.427 -8.517 371 HG13 ILE 52 2HG1 ILE 52 -9.252 -4.569 -7.934 372 HG21 ILE 52 1HG2 ILE 52 -10.784 -1.062 -8.928 373 HG22 ILE 52 2HG2 ILE 52 -10.666 -1.659 -10.583 374 HG23 ILE 52 3HG2 ILE 52 -11.704 -2.484 -9.420 375 HD11 ILE 52 3HD1 ILE 52 -10.639 -2.223 -6.911 376 HD12 ILE 52 1HD1 ILE 52 -11.402 -3.748 -6.464 377 HD13 ILE 52 2HD1 ILE 52 -9.709 -3.457 -6.061 378 H GLN 53 H GLN 53 -9.734 -2.953 -12.739 379 HA GLN 53 HA GLN 53 -7.442 -1.397 -13.473 380 HB2 GLN 53 1HB GLN 53 -8.660 -1.020 -15.586 381 HB3 GLN 53 2HB GLN 53 -8.586 -2.723 -15.153 382 HG2 GLN 53 1HG GLN 53 -10.909 -2.304 -14.096 383 HG3 GLN 53 2HG GLN 53 -10.922 -0.864 -15.112 384 HE21 GLN 53 1HE2 GLN 53 -12.770 -1.873 -16.120 385 HE22 GLN 53 2HE2 GLN 53 -12.526 -3.055 -17.356 386 H TYR 54 H TYR 54 -10.842 -0.677 -12.762 387 HA TYR 54 HA TYR 54 -10.428 2.165 -13.052 388 HB2 TYR 54 1HB TYR 54 -12.816 2.259 -12.178 389 HB3 TYR 54 2HB TYR 54 -12.578 1.407 -13.699 390 HD1 TYR 54 HD2 TYR 54 -12.833 -1.011 -13.825 391 HD2 TYR 54 HD1 TYR 54 -13.433 1.062 -10.159 392 HE1 TYR 54 HE2 TYR 54 -13.937 -2.999 -12.889 393 HE2 TYR 54 HE1 TYR 54 -14.538 -0.920 -9.211 394 HH TYR 54 HH TYR 54 -15.690 -2.920 -9.959 395 H ALA 55 H ALA 55 -8.645 1.238 -11.209 396 HA ALA 55 HA ALA 55 -9.764 2.059 -8.612 397 HB1 ALA 55 3HB ALA 55 -8.675 -0.228 -8.867 398 HB2 ALA 55 1HB ALA 55 -7.145 0.639 -8.996 399 HB3 ALA 55 2HB ALA 55 -8.118 0.779 -7.532 400 H ARG 56 H ARG 56 -9.482 4.198 -8.396 401 HA ARG 56 HA ARG 56 -7.135 5.522 -9.446 402 HB2 ARG 56 1HB ARG 56 -9.569 6.495 -7.956 403 HB3 ARG 56 2HB ARG 56 -8.227 7.555 -8.365 404 HG2 ARG 56 1HG ARG 56 -8.592 7.238 -10.700 405 HG3 ARG 56 2HG ARG 56 -9.779 5.968 -10.394 406 HD2 ARG 56 1HD ARG 56 -11.001 7.930 -10.924 407 HD3 ARG 56 2HD ARG 56 -11.152 7.692 -9.183 408 HE ARG 56 HE ARG 56 -8.976 9.378 -9.632 409 HH11 ARG 56 2HH1 ARG 56 -12.435 9.387 -10.028 410 HH12 ARG 56 1HH1 ARG 56 -12.584 11.102 -9.831 411 HH21 ARG 56 2HH2 ARG 56 -9.159 11.637 -9.371 412 HH22 ARG 56 1HH2 ARG 56 -10.720 12.380 -9.458 413 H SER 57 H SER 57 -6.484 3.600 -7.522 414 HA SER 57 HA SER 57 -6.192 4.579 -4.913 415 HB2 SER 57 1HB SER 57 -4.587 2.803 -4.585 416 HB3 SER 57 2HB SER 57 -5.880 2.195 -5.618 417 HG SER 57 HG SER 57 -4.079 1.594 -6.662 418 H THR 58 H THR 58 -4.536 5.635 -3.855 419 HA THR 58 HA THR 58 -2.268 6.604 -5.422 420 HB THR 58 HB THR 58 -2.598 8.924 -4.558 421 HG1 THR 58 HG1 THR 58 -5.174 7.917 -3.858 422 HG21 THR 58 3HG2 THR 58 -5.064 8.326 -6.102 423 HG22 THR 58 1HG2 THR 58 -3.521 7.868 -6.822 424 HG23 THR 58 2HG2 THR 58 -3.825 9.549 -6.380 425 H CYS 59 H CYS 59 -0.506 6.159 -4.289 426 HA CYS 59 HA CYS 59 -0.683 5.874 -1.390 427 HB2 CYS 59 1HB CYS 59 0.418 4.039 -2.386 428 HB3 CYS 59 2HB CYS 59 1.375 5.076 -3.437 429 HG CYS 59 HG CYS 59 3.193 4.048 -1.688 430 H GLU 60 H GLU 60 -0.314 7.612 -0.191 431 HA GLU 60 HA GLU 60 1.591 9.628 -1.167 432 HB2 GLU 60 1HB GLU 60 -0.887 9.764 0.471 433 HB3 GLU 60 2HB GLU 60 0.392 10.911 0.848 434 HG2 GLU 60 1HG GLU 60 0.312 11.860 -1.309 435 HG3 GLU 60 2HG GLU 60 -0.686 10.547 -1.929 436 H ALA 61 H ALA 61 3.558 9.254 -0.368 437 HA ALA 61 HA ALA 61 5.263 8.917 1.102 438 HB1 ALA 61 3HB ALA 61 3.564 9.522 3.456 439 HB2 ALA 61 1HB ALA 61 5.179 10.099 3.043 440 HB3 ALA 61 2HB ALA 61 3.764 10.786 2.243 441 H GLY 62 H GLY 62 3.741 6.655 0.378 442 HA2 GLY 62 1HA GLY 62 3.978 4.410 0.996 443 HA3 GLY 62 2HA GLY 62 4.398 4.925 2.623 444 H VAL 63 H VAL 63 1.728 6.647 1.847 445 HA VAL 63 HA VAL 63 0.014 4.837 3.359 446 HB VAL 63 HB VAL 63 -0.511 7.672 2.454 447 HG11 VAL 63 1HG1 VAL 63 -2.458 6.039 2.986 448 HG12 VAL 63 2HG1 VAL 63 -1.958 6.267 4.662 449 HG13 VAL 63 3HG1 VAL 63 -2.463 7.653 3.695 450 HG21 VAL 63 3HG2 VAL 63 -0.014 8.316 4.744 451 HG22 VAL 63 1HG2 VAL 63 0.335 6.638 5.158 452 HG23 VAL 63 2HG2 VAL 63 1.373 7.501 4.024 453 H ALA 64 H ALA 64 -0.470 3.262 1.809 454 HA ALA 64 HA ALA 64 -1.524 3.913 -0.763 455 HB1 ALA 64 3HB ALA 64 -0.769 1.533 0.669 456 HB2 ALA 64 1HB ALA 64 -2.317 1.307 -0.147 457 HB3 ALA 64 2HB ALA 64 -0.897 1.804 -1.069 458 H GLU 65 H GLU 65 -3.516 4.537 -1.255 459 HA GLU 65 HA GLU 65 -5.737 3.712 0.483 460 HB2 GLU 65 1HB GLU 65 -5.608 6.471 -0.709 461 HB3 GLU 65 2HB GLU 65 -6.666 5.879 0.563 462 HG2 GLU 65 1HG GLU 65 -4.524 5.557 1.929 463 HG3 GLU 65 2HG GLU 65 -3.762 6.587 0.719 464 H LEU 66 H LEU 66 -7.664 3.295 -0.542 465 HA LEU 66 HA LEU 66 -7.662 3.538 -3.478 466 HB2 LEU 66 1HB LEU 66 -7.325 1.237 -2.954 467 HB3 LEU 66 2HB LEU 66 -8.615 1.263 -1.754 468 HG LEU 66 HG LEU 66 -10.108 1.836 -3.842 469 HD11 LEU 66 1HD1 LEU 66 -8.574 2.043 -5.571 470 HD12 LEU 66 2HD1 LEU 66 -9.185 0.402 -5.773 471 HD13 LEU 66 3HD1 LEU 66 -7.614 0.671 -5.019 472 HD21 LEU 66 3HD2 LEU 66 -10.890 -0.109 -3.103 473 HD22 LEU 66 1HD2 LEU 66 -9.299 -0.598 -2.520 474 HD23 LEU 66 2HD2 LEU 66 -9.756 -0.904 -4.196 475 H HIS 67 H HIS 67 -8.946 5.327 -3.641 476 HA HIS 67 HA HIS 67 -11.282 5.761 -2.092 477 HB2 HIS 67 1HB HIS 67 -10.484 6.970 -4.748 478 HB3 HIS 67 2HB HIS 67 -11.752 7.578 -3.687 479 HD1 HIS 67 HD1 HIS 67 -11.034 9.405 -2.192 480 HD2 HIS 67 HD2 HIS 67 -7.845 6.990 -3.312 481 HE1 HIS 67 HE1 HIS 67 -8.996 10.465 -1.169 482 HE2 HIS 67 HE2 HIS 67 -7.069 9.035 -1.931 483 H ILE 68 H ILE 68 -13.184 4.792 -2.255 484 HA ILE 68 HA ILE 68 -13.994 3.708 -4.874 485 HB ILE 68 HB ILE 68 -14.519 2.490 -2.160 486 HG12 ILE 68 1HG1 ILE 68 -12.239 2.106 -2.967 487 HG13 ILE 68 2HG1 ILE 68 -13.172 0.614 -3.009 488 HG21 ILE 68 1HG2 ILE 68 -15.224 0.699 -4.188 489 HG22 ILE 68 2HG2 ILE 68 -16.305 1.545 -3.082 490 HG23 ILE 68 3HG2 ILE 68 -15.927 2.248 -4.654 491 HD11 ILE 68 3HD1 ILE 68 -13.557 1.685 -5.517 492 HD12 ILE 68 1HD1 ILE 68 -11.871 2.056 -5.155 493 HD13 ILE 68 2HD1 ILE 68 -12.441 0.388 -5.090 494 H GLN 69 H GLN 69 -15.330 5.379 -5.459 495 HA GLN 69 HA GLN 69 -17.353 6.339 -3.613 496 HB2 GLN 69 1HB GLN 69 -17.879 7.977 -5.284 497 HB3 GLN 69 2HB GLN 69 -16.128 7.876 -5.156 498 HG2 GLN 69 1HG GLN 69 -16.275 6.252 -7.134 499 HG3 GLN 69 2HG GLN 69 -17.911 6.876 -7.342 500 HE21 GLN 69 1HE2 GLN 69 -14.557 7.478 -7.725 501 HE22 GLN 69 2HE2 GLN 69 -14.694 9.015 -8.503 502 H ASP 70 H ASP 70 -19.633 6.493 -4.347 503 HA ASP 70 HA ASP 70 -21.576 5.384 -4.797 504 HB2 ASP 70 1HB ASP 70 -19.957 5.184 -7.299 505 HB3 ASP 70 2HB ASP 70 -21.472 4.290 -7.206 506 H ALA 71 H ALA 71 -20.140 3.913 -3.083 507 HA ALA 71 HA ALA 71 -19.326 1.366 -3.750 508 HB1 ALA 71 3HB ALA 71 -20.847 2.048 -1.241 509 HB2 ALA 71 1HB ALA 71 -19.658 0.764 -1.467 510 HB3 ALA 71 2HB ALA 71 -19.150 2.453 -1.503 511 H LEU 72 H LEU 72 -20.479 0.178 -5.179 512 HA LEU 72 HA LEU 72 -23.355 -0.108 -4.871 513 HB2 LEU 72 1HB LEU 72 -21.363 -0.992 -6.927 514 HB3 LEU 72 2HB LEU 72 -22.996 -1.654 -6.904 515 HG LEU 72 HG LEU 72 -22.434 1.297 -7.102 516 HD11 LEU 72 1HD1 LEU 72 -22.354 1.209 -9.389 517 HD12 LEU 72 2HD1 LEU 72 -23.192 -0.340 -9.471 518 HD13 LEU 72 3HD1 LEU 72 -21.500 -0.279 -8.979 519 HD21 LEU 72 3HD2 LEU 72 -24.751 1.142 -8.191 520 HD22 LEU 72 1HD2 LEU 72 -24.648 0.975 -6.438 521 HD23 LEU 72 2HD2 LEU 72 -24.843 -0.456 -7.450 522 HA PRO 73 HA PRO 73 -23.324 -3.934 -2.719 523 HB2 PRO 73 1HB PRO 73 -25.512 -5.149 -3.773 524 HB3 PRO 73 2HB PRO 73 -25.616 -3.782 -2.657 525 HG2 PRO 73 1HG PRO 73 -25.830 -3.811 -5.643 526 HG3 PRO 73 2HG PRO 73 -26.810 -2.926 -4.460 527 HD2 PRO 73 1HD PRO 73 -24.808 -1.756 -5.858 528 HD3 PRO 73 2HD PRO 73 -25.232 -1.266 -4.205 529 H GLU 74 H GLU 74 -22.800 -3.766 -6.057 530 HA GLU 74 HA GLU 74 -22.328 -6.653 -6.290 531 HB2 GLU 74 1HB GLU 74 -22.105 -6.188 -8.725 532 HB3 GLU 74 2HB GLU 74 -23.678 -5.756 -8.069 533 HG2 GLU 74 1HG GLU 74 -23.317 -3.505 -8.306 534 HG3 GLU 74 2HG GLU 74 -21.563 -3.669 -8.238 535 H ASP 75 H ASP 75 -20.665 -4.147 -5.204 536 HA ASP 75 HA ASP 75 -18.155 -4.831 -6.573 537 HB2 ASP 75 1HB ASP 75 -19.055 -2.410 -5.033 538 HB3 ASP 75 2HB ASP 75 -17.342 -2.732 -5.288 539 H HIS 76 H HIS 76 -19.775 -4.833 -3.488 540 HA HIS 76 HA HIS 76 -17.765 -5.089 -1.664 541 HB2 HIS 76 1HB HIS 76 -19.319 -5.995 -0.228 542 HB3 HIS 76 2HB HIS 76 -20.390 -5.315 -1.449 543 HD1 HIS 76 HD1 HIS 76 -20.481 -7.411 -3.568 544 HD2 HIS 76 HD2 HIS 76 -20.426 -8.352 0.479 545 HE1 HIS 76 HE1 HIS 76 -21.465 -9.719 -3.401 546 HE2 HIS 76 HE2 HIS 76 -21.500 -10.233 -0.936 547 H GLY 77 H GLY 77 -16.366 -6.655 -0.963 548 HA2 GLY 77 1HA GLY 77 -16.434 -9.371 -1.615 549 HA3 GLY 77 2HA GLY 77 -15.470 -8.563 -2.843 550 H THR 78 H THR 78 -13.443 -9.189 -2.388 551 HA THR 78 HA THR 78 -12.410 -8.525 0.287 552 HB THR 78 HB THR 78 -11.494 -10.928 -1.296 553 HG1 THR 78 HG1 THR 78 -13.237 -11.860 -0.554 554 HG21 THR 78 3HG2 THR 78 -11.137 -10.524 1.644 555 HG22 THR 78 1HG2 THR 78 -10.057 -9.704 0.517 556 HG23 THR 78 2HG2 THR 78 -10.163 -11.464 0.514 557 H TYR 79 H TYR 79 -11.214 -6.761 -0.131 558 HA TYR 79 HA TYR 79 -9.739 -6.434 -2.569 559 HB2 TYR 79 1HB TYR 79 -9.892 -4.830 -0.018 560 HB3 TYR 79 2HB TYR 79 -8.838 -4.383 -1.355 561 HD1 TYR 79 HD1 TYR 79 -9.764 -3.546 -3.445 562 HD2 TYR 79 HD2 TYR 79 -12.301 -4.605 -0.198 563 HE1 TYR 79 HE1 TYR 79 -11.628 -2.357 -4.522 564 HE2 TYR 79 HE2 TYR 79 -14.173 -3.420 -1.266 565 HH TYR 79 HH TYR 79 -13.999 -2.256 -4.511 566 H THR 80 H THR 80 -7.613 -6.745 -2.951 567 HA THR 80 HA THR 80 -5.955 -7.711 -0.713 568 HB THR 80 HB THR 80 -6.014 -8.746 -3.552 569 HG1 THR 80 HG1 THR 80 -6.891 -9.680 -1.060 570 HG21 THR 80 3HG2 THR 80 -3.817 -8.602 -1.767 571 HG22 THR 80 1HG2 THR 80 -3.909 -9.433 -3.319 572 HG23 THR 80 2HG2 THR 80 -4.336 -10.285 -1.835 573 H CYS 81 H CYS 81 -4.477 -6.202 -0.303 574 HA CYS 81 HA CYS 81 -3.470 -4.506 -2.442 575 HB2 CYS 81 1HB CYS 81 -4.140 -3.575 -0.208 576 HB3 CYS 81 2HB CYS 81 -2.777 -4.433 0.499 577 HG CYS 81 HG CYS 81 -2.567 -1.934 -1.830 578 H LEU 82 H LEU 82 -1.981 -5.517 -3.661 579 HA LEU 82 HA LEU 82 0.034 -7.208 -2.417 580 HB2 LEU 82 1HB LEU 82 -0.872 -8.098 -4.406 581 HB3 LEU 82 2HB LEU 82 -0.678 -6.571 -5.265 582 HG LEU 82 HG LEU 82 1.747 -6.879 -5.274 583 HD11 LEU 82 1HD1 LEU 82 2.851 -8.472 -4.135 584 HD12 LEU 82 2HD1 LEU 82 1.602 -9.686 -4.409 585 HD13 LEU 82 3HD1 LEU 82 1.401 -8.487 -3.132 586 HD21 LEU 82 3HD2 LEU 82 1.559 -8.010 -7.179 587 HD22 LEU 82 1HD2 LEU 82 -0.135 -8.275 -6.769 588 HD23 LEU 82 2HD2 LEU 82 1.076 -9.482 -6.335 589 H ALA 83 H ALA 83 2.153 -6.711 -2.199 590 HA ALA 83 HA ALA 83 3.204 -4.290 -3.447 591 HB1 ALA 83 3HB ALA 83 4.204 -4.139 -0.855 592 HB2 ALA 83 1HB ALA 83 3.005 -3.078 -1.595 593 HB3 ALA 83 2HB ALA 83 2.484 -4.478 -0.658 594 H GLU 84 H GLU 84 4.898 -5.074 -4.524 595 HA GLU 84 HA GLU 84 6.846 -6.698 -3.042 596 HB2 GLU 84 1HB GLU 84 7.182 -8.171 -4.911 597 HB3 GLU 84 2HB GLU 84 5.467 -8.156 -4.523 598 HG2 GLU 84 1HG GLU 84 4.984 -6.747 -6.385 599 HG3 GLU 84 2HG GLU 84 6.698 -6.494 -6.705 600 H ASN 85 H ASN 85 8.992 -6.342 -3.551 601 HA ASN 85 HA ASN 85 9.537 -4.216 -5.513 602 HB2 ASN 85 1HB ASN 85 11.187 -3.246 -4.010 603 HB3 ASN 85 2HB ASN 85 9.621 -3.314 -3.207 604 HD21 ASN 85 1HD2 ASN 85 11.163 -3.020 -1.356 605 HD22 ASN 85 2HD2 ASN 85 11.763 -4.456 -0.604 606 H ALA 86 H ALA 86 12.191 -4.097 -5.534 607 HA ALA 86 HA ALA 86 12.959 -6.448 -6.916 608 HB1 ALA 86 3HB ALA 86 15.225 -5.361 -6.950 609 HB2 ALA 86 1HB ALA 86 13.910 -4.386 -7.608 610 HB3 ALA 86 2HB ALA 86 14.531 -4.054 -5.991 611 H LEU 87 H LEU 87 12.654 -5.955 -3.678 612 HA LEU 87 HA LEU 87 14.910 -7.701 -2.977 613 HB2 LEU 87 1HB LEU 87 13.357 -5.634 -1.525 614 HB3 LEU 87 2HB LEU 87 13.958 -7.001 -0.589 615 HG LEU 87 HG LEU 87 16.242 -6.361 -1.726 616 HD11 LEU 87 1HD1 LEU 87 14.900 -3.672 -1.648 617 HD12 LEU 87 2HD1 LEU 87 15.096 -4.605 -3.131 618 HD13 LEU 87 3HD1 LEU 87 16.516 -4.070 -2.231 619 HD21 LEU 87 3HD2 LEU 87 14.866 -5.224 0.656 620 HD22 LEU 87 1HD2 LEU 87 16.441 -4.576 0.197 621 HD23 LEU 87 2HD2 LEU 87 16.266 -6.293 0.562 622 H GLY 88 H GLY 88 11.728 -7.235 -1.459 623 HA2 GLY 88 1HA GLY 88 11.336 -10.159 -1.650 624 HA3 GLY 88 2HA GLY 88 10.881 -9.224 -0.233 625 H GLN 89 H GLN 89 8.754 -10.145 -0.512 626 HA GLN 89 HA GLN 89 7.050 -8.412 -2.039 627 HB2 GLN 89 1HB GLN 89 5.975 -10.155 -3.371 628 HB3 GLN 89 2HB GLN 89 7.682 -10.025 -3.773 629 HG2 GLN 89 1HG GLN 89 8.209 -12.038 -2.763 630 HG3 GLN 89 2HG GLN 89 6.754 -12.034 -1.768 631 HE21 GLN 89 1HE2 GLN 89 4.690 -11.919 -3.231 632 HE22 GLN 89 2HE2 GLN 89 4.649 -13.095 -4.497 633 H VAL 90 H VAL 90 5.058 -8.255 -1.144 634 HA VAL 90 HA VAL 90 4.142 -10.334 0.694 635 HB VAL 90 HB VAL 90 3.605 -8.699 2.450 636 HG11 VAL 90 1HG1 VAL 90 5.694 -9.983 2.555 637 HG12 VAL 90 2HG1 VAL 90 6.527 -8.684 1.697 638 HG13 VAL 90 3HG1 VAL 90 5.859 -8.395 3.305 639 HG21 VAL 90 3HG2 VAL 90 4.585 -6.824 0.413 640 HG22 VAL 90 1HG2 VAL 90 3.435 -6.577 1.728 641 HG23 VAL 90 2HG2 VAL 90 5.168 -6.514 2.048 642 H SER 91 H SER 91 1.904 -10.329 1.071 643 HA SER 91 HA SER 91 0.279 -8.343 -0.315 644 HB2 SER 91 1HB SER 91 -1.026 -10.073 -1.497 645 HB3 SER 91 2HB SER 91 0.660 -10.069 -2.013 646 HG SER 91 HG SER 91 0.672 -11.736 -0.079 647 H CYS 92 H CYS 92 -1.572 -7.904 0.733 648 HA CYS 92 HA CYS 92 -2.366 -9.720 2.915 649 HB2 CYS 92 1HB CYS 92 -2.351 -6.703 2.821 650 HB3 CYS 92 2HB CYS 92 -3.252 -7.610 4.030 651 HG CYS 92 HG CYS 92 -0.525 -6.483 4.676 652 H SER 93 H SER 93 -4.684 -9.468 3.563 653 HA SER 93 HA SER 93 -6.408 -8.713 1.308 654 HB2 SER 93 1HB SER 93 -7.754 -10.772 1.678 655 HB3 SER 93 2HB SER 93 -6.114 -11.120 1.131 656 HG SER 93 HG SER 93 -5.785 -11.179 3.615 657 H ALA 94 H ALA 94 -8.649 -8.365 1.901 658 HA ALA 94 HA ALA 94 -9.263 -8.127 4.730 659 HB1 ALA 94 3HB ALA 94 -10.028 -5.708 4.310 660 HB2 ALA 94 1HB ALA 94 -8.307 -6.013 4.547 661 HB3 ALA 94 2HB ALA 94 -8.942 -5.760 2.921 662 H TRP 95 H TRP 95 -11.523 -7.668 5.133 663 HA TRP 95 HA TRP 95 -13.223 -8.436 2.853 664 HB2 TRP 95 1HB TRP 95 -13.224 -10.125 4.601 665 HB3 TRP 95 2HB TRP 95 -13.623 -8.911 5.814 666 HD1 TRP 95 HD1 TRP 95 -16.145 -7.816 5.621 667 HE1 TRP 95 HE1 TRP 95 -18.336 -8.886 4.797 668 HE3 TRP 95 HE3 TRP 95 -14.195 -11.761 3.019 669 HZ2 TRP 95 HZ2 TRP 95 -19.133 -11.108 3.250 670 HZ3 TRP 95 HZ3 TRP 95 -15.739 -13.312 1.896 671 HH2 TRP 95 HH2 TRP 95 -18.157 -12.992 2.011 672 H VAL 96 H VAL 96 -14.855 -7.137 2.254 673 HA VAL 96 HA VAL 96 -15.554 -4.885 4.022 674 HB VAL 96 HB VAL 96 -15.168 -4.793 1.028 675 HG11 VAL 96 1HG1 VAL 96 -17.077 -3.460 1.516 676 HG12 VAL 96 2HG1 VAL 96 -16.296 -2.748 2.929 677 HG13 VAL 96 3HG1 VAL 96 -15.715 -2.359 1.310 678 HG21 VAL 96 3HG2 VAL 96 -13.621 -2.842 1.916 679 HG22 VAL 96 1HG2 VAL 96 -13.607 -3.838 3.371 680 HG23 VAL 96 2HG2 VAL 96 -13.049 -4.508 1.838 681 H THR 97 H THR 97 -17.690 -4.314 4.121 682 HA THR 97 HA THR 97 -19.569 -5.934 2.530 683 HB THR 97 HB THR 97 -20.067 -5.062 5.377 684 HG1 THR 97 HG1 THR 97 -19.171 -6.886 6.035 685 HG21 THR 97 3HG2 THR 97 -21.454 -7.378 4.201 686 HG22 THR 97 1HG2 THR 97 -21.859 -5.817 3.489 687 HG23 THR 97 2HG2 THR 97 -22.077 -6.080 5.220 688 H VAL 98 H VAL 98 -21.402 -4.926 1.775 689 HA VAL 98 HA VAL 98 -21.575 -2.021 2.251 690 HB VAL 98 HB VAL 98 -22.287 -3.468 -0.304 691 HG11 VAL 98 1HG1 VAL 98 -23.659 -1.577 -0.187 692 HG12 VAL 98 2HG1 VAL 98 -22.391 -0.590 0.542 693 HG13 VAL 98 3HG1 VAL 98 -22.283 -1.053 -1.157 694 HG21 VAL 98 3HG2 VAL 98 -19.898 -1.754 0.373 695 HG22 VAL 98 1HG2 VAL 98 -19.891 -3.478 0.000 696 HG23 VAL 98 2HG2 VAL 98 -20.317 -2.308 -1.248 697 H HIS 99 H HIS 99 -23.287 -1.652 3.501 698 HA HIS 99 HA HIS 99 -25.458 -3.348 3.898 699 HB2 HIS 99 1HB HIS 99 -25.472 -0.339 4.197 700 HB3 HIS 99 2HB HIS 99 -26.538 -1.483 5.007 701 HD1 HIS 99 HD1 HIS 99 -25.077 -3.309 6.549 702 HD2 HIS 99 HD2 HIS 99 -23.396 0.405 5.748 703 HE1 HIS 99 HE1 HIS 99 -23.296 -2.987 8.295 704 HE2 HIS 99 HE2 HIS 99 -22.351 -0.696 7.843 Start of MODEL 18 1 H1 GLY 1 H GLY 1 30.131 1.831 -4.012 2 HA2 GLY 1 1HA GLY 1 31.478 1.760 -1.998 3 HA3 GLY 1 2HA GLY 1 32.903 1.941 -3.010 4 H SER 2 H SER 2 30.967 3.518 -0.893 5 HA SER 2 HA SER 2 31.808 6.132 -1.938 6 HB2 SER 2 1HB SER 2 29.690 7.136 -1.324 7 HB3 SER 2 2HB SER 2 29.380 5.772 -2.397 8 HG SER 2 HG SER 2 28.014 5.875 -0.498 9 H SER 3 H SER 3 32.111 7.766 -0.334 10 HA SER 3 HA SER 3 32.660 6.641 2.331 11 HB2 SER 3 1HB SER 3 34.658 7.451 1.162 12 HB3 SER 3 2HB SER 3 33.911 9.035 0.960 13 HG SER 3 HG SER 3 34.269 9.486 3.010 14 H GLY 4 H GLY 4 32.079 7.790 4.185 15 HA2 GLY 4 1HA GLY 4 31.195 9.799 5.225 16 HA3 GLY 4 2HA GLY 4 30.283 10.091 3.751 17 H SER 5 H SER 5 28.547 8.560 3.234 18 HA SER 5 HA SER 5 27.512 7.064 5.524 19 HB2 SER 5 1HB SER 5 25.252 8.075 5.192 20 HB3 SER 5 2HB SER 5 26.456 9.231 5.762 21 HG SER 5 HG SER 5 25.168 10.036 4.023 22 H SER 6 H SER 6 25.351 5.956 4.792 23 HA SER 6 HA SER 6 24.986 5.354 2.054 24 HB2 SER 6 1HB SER 6 25.884 3.128 1.917 25 HB3 SER 6 2HB SER 6 27.177 4.186 2.483 26 HG SER 6 HG SER 6 27.080 2.288 3.725 27 H GLY 7 H GLY 7 23.137 4.150 1.700 28 HA2 GLY 7 1HA GLY 7 21.743 3.200 4.126 29 HA3 GLY 7 2HA GLY 7 20.919 4.125 2.881 30 H MET 8 H MET 8 21.118 1.151 4.061 31 HA MET 8 HA MET 8 21.238 -0.281 1.525 32 HB2 MET 8 1HB MET 8 21.135 -2.303 2.861 33 HB3 MET 8 2HB MET 8 22.361 -1.225 3.514 34 HG2 MET 8 1HG MET 8 20.997 -0.621 5.342 35 HG3 MET 8 2HG MET 8 19.571 -1.352 4.610 36 HE1 MET 8 3HE MET 8 23.272 -2.319 5.756 37 HE2 MET 8 1HE MET 8 22.311 -1.693 7.096 38 HE3 MET 8 2HE MET 8 22.807 -3.385 7.082 39 H GLU 9 H GLU 9 19.514 -1.119 0.479 40 HA GLU 9 HA GLU 9 16.961 -0.089 0.871 41 HB2 GLU 9 1HB GLU 9 17.836 -2.593 -0.574 42 HB3 GLU 9 2HB GLU 9 16.212 -1.925 -0.666 43 HG2 GLU 9 1HG GLU 9 17.275 -1.149 -2.585 44 HG3 GLU 9 2HG GLU 9 17.316 0.220 -1.476 45 H VAL 10 H VAL 10 14.967 -1.565 1.137 46 HA VAL 10 HA VAL 10 15.377 -3.545 3.262 47 HB VAL 10 HB VAL 10 13.260 -2.551 4.356 48 HG11 VAL 10 1HG1 VAL 10 16.022 -1.400 4.491 49 HG12 VAL 10 2HG1 VAL 10 14.733 -0.787 5.529 50 HG13 VAL 10 3HG1 VAL 10 15.210 -2.482 5.621 51 HG21 VAL 10 3HG2 VAL 10 13.001 -0.958 2.337 52 HG22 VAL 10 1HG2 VAL 10 12.698 -0.332 3.958 53 HG23 VAL 10 2HG2 VAL 10 14.227 0.015 3.150 54 H ALA 11 H ALA 11 13.317 -4.769 3.719 55 HA ALA 11 HA ALA 11 12.123 -5.522 1.177 56 HB1 ALA 11 3HB ALA 11 12.653 -7.464 2.228 57 HB2 ALA 11 1HB ALA 11 12.413 -6.788 3.840 58 HB3 ALA 11 2HB ALA 11 11.021 -7.259 2.865 59 HA PRO 12 HA PRO 12 8.246 -3.546 1.763 60 HB2 PRO 12 1HB PRO 12 6.569 -5.323 0.582 61 HB3 PRO 12 2HB PRO 12 7.682 -4.299 -0.332 62 HG2 PRO 12 1HG PRO 12 7.976 -7.166 0.476 63 HG3 PRO 12 2HG PRO 12 8.358 -6.396 -1.076 64 HD2 PRO 12 1HD PRO 12 10.254 -6.977 0.768 65 HD3 PRO 12 2HD PRO 12 10.373 -5.576 -0.316 66 H SER 13 H SER 13 6.625 -3.432 3.238 67 HA SER 13 HA SER 13 5.646 -5.810 4.570 68 HB2 SER 13 1HB SER 13 7.151 -3.660 6.077 69 HB3 SER 13 2HB SER 13 6.165 -4.905 6.844 70 HG SER 13 HG SER 13 8.631 -5.122 5.552 71 H PHE 14 H PHE 14 3.905 -5.254 6.163 72 HA PHE 14 HA PHE 14 2.492 -2.811 5.315 73 HB2 PHE 14 1HB PHE 14 1.447 -5.578 5.882 74 HB3 PHE 14 2HB PHE 14 0.393 -4.169 5.923 75 HD1 PHE 14 HD2 PHE 14 0.798 -2.578 3.753 76 HD2 PHE 14 HD1 PHE 14 1.400 -6.787 3.947 77 HE1 PHE 14 HE2 PHE 14 0.502 -2.729 1.316 78 HE2 PHE 14 HE1 PHE 14 1.105 -6.945 1.509 79 HZ PHE 14 HZ PHE 14 0.654 -4.914 0.190 80 H SER 15 H SER 15 3.216 -1.543 7.018 81 HA SER 15 HA SER 15 3.361 -2.239 9.698 82 HB2 SER 15 1HB SER 15 4.338 -0.175 8.953 83 HB3 SER 15 2HB SER 15 2.775 0.433 8.408 84 HG SER 15 HG SER 15 3.367 -0.207 11.107 85 H SER 16 H SER 16 0.617 -0.996 7.848 86 HA SER 16 HA SER 16 -1.146 -1.833 10.046 87 HB2 SER 16 1HB SER 16 -1.143 0.800 8.587 88 HB3 SER 16 2HB SER 16 -2.608 0.181 9.350 89 HG SER 16 HG SER 16 -1.502 1.489 10.806 90 H VAL 17 H VAL 17 -1.934 -3.643 9.091 91 HA VAL 17 HA VAL 17 -2.593 -3.863 6.346 92 HB VAL 17 HB VAL 17 -3.734 -5.949 6.963 93 HG11 VAL 17 1HG1 VAL 17 -1.716 -6.962 8.249 94 HG12 VAL 17 2HG1 VAL 17 -1.475 -6.313 6.626 95 HG13 VAL 17 3HG1 VAL 17 -1.006 -5.363 8.036 96 HG21 VAL 17 3HG2 VAL 17 -3.029 -5.366 9.827 97 HG22 VAL 17 1HG2 VAL 17 -4.612 -4.985 9.148 98 HG23 VAL 17 2HG2 VAL 17 -4.048 -6.656 9.188 99 H LEU 18 H LEU 18 -4.830 -4.435 5.584 100 HA LEU 18 HA LEU 18 -6.603 -2.282 6.205 101 HB2 LEU 18 1HB LEU 18 -7.064 -4.730 4.506 102 HB3 LEU 18 2HB LEU 18 -8.074 -3.286 4.535 103 HG LEU 18 HG LEU 18 -5.196 -3.011 3.805 104 HD11 LEU 18 1HD1 LEU 18 -5.551 -3.625 1.553 105 HD12 LEU 18 2HD1 LEU 18 -7.288 -3.806 1.797 106 HD13 LEU 18 3HD1 LEU 18 -6.170 -4.959 2.527 107 HD21 LEU 18 3HD2 LEU 18 -7.649 -1.671 2.688 108 HD22 LEU 18 1HD2 LEU 18 -5.968 -1.151 2.560 109 HD23 LEU 18 2HD2 LEU 18 -6.794 -1.085 4.117 110 H LYS 19 H LYS 19 -8.748 -2.435 6.999 111 HA LYS 19 HA LYS 19 -9.345 -4.874 8.533 112 HB2 LYS 19 1HB LYS 19 -9.515 -2.015 9.486 113 HB3 LYS 19 2HB LYS 19 -10.297 -3.354 10.315 114 HG2 LYS 19 1HG LYS 19 -7.389 -3.559 9.738 115 HG3 LYS 19 2HG LYS 19 -7.922 -2.486 11.035 116 HD2 LYS 19 1HD LYS 19 -9.354 -4.612 11.706 117 HD3 LYS 19 2HD LYS 19 -8.072 -5.450 10.828 118 HE2 LYS 19 1HE LYS 19 -7.285 -5.414 13.015 119 HE3 LYS 19 2HE LYS 19 -6.467 -4.041 12.270 120 HZ1 LYS 19 3HZ LYS 19 -7.272 -3.283 14.324 121 HZ2 LYS 19 1HZ LYS 19 -8.788 -4.000 14.107 122 HZ3 LYS 19 2HZ LYS 19 -8.348 -2.657 13.179 123 H ASP 20 H ASP 20 -11.376 -5.608 8.341 124 HA ASP 20 HA ASP 20 -13.098 -4.996 6.373 125 HB2 ASP 20 1HB ASP 20 -14.702 -6.273 7.448 126 HB3 ASP 20 2HB ASP 20 -13.238 -6.791 8.279 127 H CYS 21 H CYS 21 -15.093 -3.818 6.202 128 HA CYS 21 HA CYS 21 -15.666 -1.734 8.111 129 HB2 CYS 21 1HB CYS 21 -15.516 0.015 6.191 130 HB3 CYS 21 2HB CYS 21 -14.049 -0.444 7.047 131 HG CYS 21 HG CYS 21 -14.550 -0.449 3.872 132 H ALA 22 H ALA 22 -17.717 -0.858 7.867 133 HA ALA 22 HA ALA 22 -19.369 -2.115 5.774 134 HB1 ALA 22 3HB ALA 22 -20.500 -2.981 7.492 135 HB2 ALA 22 1HB ALA 22 -19.723 -1.906 8.655 136 HB3 ALA 22 2HB ALA 22 -21.130 -1.354 7.745 137 H VAL 23 H VAL 23 -20.277 -0.785 4.355 138 HA VAL 23 HA VAL 23 -20.657 2.039 5.116 139 HB VAL 23 HB VAL 23 -18.808 1.667 3.456 140 HG11 VAL 23 1HG1 VAL 23 -20.662 -0.026 2.258 141 HG12 VAL 23 2HG1 VAL 23 -20.553 1.362 1.174 142 HG13 VAL 23 3HG1 VAL 23 -19.098 0.463 1.608 143 HG21 VAL 23 3HG2 VAL 23 -21.061 3.224 2.223 144 HG22 VAL 23 1HG2 VAL 23 -20.251 3.763 3.694 145 HG23 VAL 23 2HG2 VAL 23 -19.333 3.577 2.200 146 H ILE 24 H ILE 24 -22.337 3.163 3.829 147 HA ILE 24 HA ILE 24 -24.677 1.444 3.578 148 HB ILE 24 HB ILE 24 -24.370 4.443 3.615 149 HG12 ILE 24 1HG1 ILE 24 -24.170 3.129 5.762 150 HG13 ILE 24 2HG1 ILE 24 -25.452 4.335 5.744 151 HG21 ILE 24 1HG2 ILE 24 -26.492 2.856 2.507 152 HG22 ILE 24 2HG2 ILE 24 -27.075 3.783 3.888 153 HG23 ILE 24 3HG2 ILE 24 -26.303 4.609 2.535 154 HD11 ILE 24 3HD1 ILE 24 -27.124 2.716 5.578 155 HD12 ILE 24 1HD1 ILE 24 -25.986 1.463 5.087 156 HD13 ILE 24 2HD1 ILE 24 -25.979 2.059 6.746 157 H GLU 25 H GLU 25 -25.798 1.091 1.722 158 HA GLU 25 HA GLU 25 -24.522 1.153 -0.732 159 HB2 GLU 25 1HB GLU 25 -26.492 -0.247 -0.206 160 HB3 GLU 25 2HB GLU 25 -27.505 1.189 -0.242 161 HG2 GLU 25 1HG GLU 25 -26.637 1.492 -2.638 162 HG3 GLU 25 2HG GLU 25 -26.116 -0.187 -2.507 163 H GLY 26 H GLY 26 -24.004 2.751 -2.065 164 HA2 GLY 26 1HA GLY 26 -24.625 4.595 -3.459 165 HA3 GLY 26 2HA GLY 26 -25.776 5.092 -2.228 166 H GLN 27 H GLN 27 -23.347 4.385 -0.338 167 HA GLN 27 HA GLN 27 -22.375 7.126 -0.286 168 HB2 GLN 27 1HB GLN 27 -22.244 4.815 1.627 169 HB3 GLN 27 2HB GLN 27 -21.205 6.217 1.844 170 HG2 GLN 27 1HG GLN 27 -23.456 6.112 3.090 171 HG3 GLN 27 2HG GLN 27 -22.970 7.621 2.320 172 HE21 GLN 27 1HE2 GLN 27 -24.466 4.628 1.136 173 HE22 GLN 27 2HE2 GLN 27 -25.823 5.398 0.395 174 H ASP 28 H ASP 28 -19.930 7.154 0.595 175 HA ASP 28 HA ASP 28 -18.356 5.544 -1.307 176 HB2 ASP 28 1HB ASP 28 -16.850 7.419 -1.597 177 HB3 ASP 28 2HB ASP 28 -18.497 7.944 -1.937 178 H PHE 29 H PHE 29 -16.150 5.085 -0.670 179 HA PHE 29 HA PHE 29 -15.353 5.519 2.060 180 HB2 PHE 29 1HB PHE 29 -15.383 3.274 2.827 181 HB3 PHE 29 2HB PHE 29 -16.974 3.559 2.129 182 HD1 PHE 29 HD2 PHE 29 -13.669 2.032 1.468 183 HD2 PHE 29 HD1 PHE 29 -17.777 2.234 0.374 184 HE1 PHE 29 HE2 PHE 29 -13.374 0.073 0.008 185 HE2 PHE 29 HE1 PHE 29 -17.489 0.275 -1.087 186 HZ PHE 29 HZ PHE 29 -15.284 -0.807 -1.272 187 H VAL 30 H VAL 30 -13.194 5.573 2.197 188 HA VAL 30 HA VAL 30 -11.648 4.404 -0.025 189 HB VAL 30 HB VAL 30 -11.430 6.740 -0.256 190 HG11 VAL 30 1HG1 VAL 30 -10.858 6.903 2.701 191 HG12 VAL 30 2HG1 VAL 30 -10.888 8.257 1.569 192 HG13 VAL 30 3HG1 VAL 30 -12.369 7.365 1.920 193 HG21 VAL 30 3HG2 VAL 30 -9.287 5.249 -0.046 194 HG22 VAL 30 1HG2 VAL 30 -9.146 7.002 -0.185 195 HG23 VAL 30 2HG2 VAL 30 -8.997 6.227 1.392 196 H LEU 31 H LEU 31 -10.451 2.738 0.589 197 HA LEU 31 HA LEU 31 -9.930 2.146 3.330 198 HB2 LEU 31 1HB LEU 31 -8.552 0.874 0.987 199 HB3 LEU 31 2HB LEU 31 -8.902 0.172 2.565 200 HG LEU 31 HG LEU 31 -11.188 0.958 0.824 201 HD11 LEU 31 1HD1 LEU 31 -11.004 -0.758 -0.649 202 HD12 LEU 31 2HD1 LEU 31 -10.084 -1.767 0.466 203 HD13 LEU 31 3HD1 LEU 31 -9.287 -0.449 -0.392 204 HD21 LEU 31 3HD2 LEU 31 -11.405 0.090 3.175 205 HD22 LEU 31 1HD2 LEU 31 -10.774 -1.448 2.586 206 HD23 LEU 31 2HD2 LEU 31 -12.293 -0.817 1.949 207 H GLN 32 H GLN 32 -7.981 2.157 4.445 208 HA GLN 32 HA GLN 32 -5.715 3.505 3.158 209 HB2 GLN 32 1HB GLN 32 -7.090 5.125 4.511 210 HB3 GLN 32 2HB GLN 32 -6.678 4.184 5.938 211 HG2 GLN 32 1HG GLN 32 -4.254 4.593 5.338 212 HG3 GLN 32 2HG GLN 32 -4.847 5.776 4.173 213 HE21 GLN 32 1HE2 GLN 32 -4.440 7.710 4.975 214 HE22 GLN 32 2HE2 GLN 32 -4.796 8.237 6.582 215 H CYS 33 H CYS 33 -3.830 2.522 3.515 216 HA CYS 33 HA CYS 33 -3.455 0.926 5.930 217 HB2 CYS 33 1HB CYS 33 -2.783 -1.048 4.774 218 HB3 CYS 33 2HB CYS 33 -4.331 -0.566 4.090 219 HG CYS 33 HG CYS 33 -2.476 0.930 2.102 220 H SER 34 H SER 34 -1.268 0.550 6.472 221 HA SER 34 HA SER 34 0.551 2.503 5.274 222 HB2 SER 34 1HB SER 34 0.714 0.930 7.855 223 HB3 SER 34 2HB SER 34 1.955 2.051 7.296 224 HG SER 34 HG SER 34 -0.676 2.973 7.424 225 H VAL 35 H VAL 35 2.036 1.888 3.863 226 HA VAL 35 HA VAL 35 2.989 -0.902 3.940 227 HB VAL 35 HB VAL 35 2.952 0.698 1.404 228 HG11 VAL 35 1HG1 VAL 35 3.678 -1.189 0.472 229 HG12 VAL 35 2HG1 VAL 35 3.917 -1.807 2.108 230 HG13 VAL 35 3HG1 VAL 35 2.412 -2.140 1.249 231 HG21 VAL 35 3HG2 VAL 35 0.660 -0.771 2.667 232 HG22 VAL 35 1HG2 VAL 35 0.684 0.840 1.951 233 HG23 VAL 35 2HG2 VAL 35 0.783 -0.586 0.918 234 H ARG 36 H ARG 36 5.123 -1.186 4.100 235 HA ARG 36 HA ARG 36 6.865 1.147 3.643 236 HB2 ARG 36 1HB ARG 36 7.146 -1.066 5.684 237 HB3 ARG 36 2HB ARG 36 8.365 0.164 5.375 238 HG2 ARG 36 1HG ARG 36 6.559 1.866 5.935 239 HG3 ARG 36 2HG ARG 36 5.637 0.502 6.570 240 HD2 ARG 36 1HD ARG 36 7.288 0.029 8.200 241 HD3 ARG 36 2HD ARG 36 8.452 1.109 7.435 242 HE ARG 36 HE ARG 36 6.400 2.753 8.094 243 HH11 ARG 36 2HH1 ARG 36 8.312 0.450 9.872 244 HH12 ARG 36 1HH1 ARG 36 8.178 1.302 11.374 245 HH21 ARG 36 2HH2 ARG 36 6.215 3.883 10.067 246 HH22 ARG 36 1HH2 ARG 36 6.984 3.254 11.484 247 H GLY 37 H GLY 37 9.164 0.542 3.159 248 HA2 GLY 37 1HA GLY 37 10.382 -1.653 2.426 249 HA3 GLY 37 2HA GLY 37 9.148 -1.618 1.175 250 H THR 38 H THR 38 11.906 -1.564 0.648 251 HA THR 38 HA THR 38 12.049 0.918 -0.854 252 HB THR 38 HB THR 38 14.156 0.148 1.170 253 HG1 THR 38 HG1 THR 38 12.578 1.441 2.070 254 HG21 THR 38 3HG2 THR 38 15.717 1.173 -0.045 255 HG22 THR 38 1HG2 THR 38 14.704 2.606 -0.206 256 HG23 THR 38 2HG2 THR 38 14.562 1.290 -1.371 257 HA PRO 39 HA PRO 39 12.734 1.716 -2.536 258 HB2 PRO 39 1HB PRO 39 11.875 1.311 -5.079 259 HB3 PRO 39 2HB PRO 39 13.562 1.657 -4.679 260 HG2 PRO 39 1HG PRO 39 12.252 -0.973 -5.252 261 HG3 PRO 39 2HG PRO 39 13.819 -0.359 -5.810 262 HD2 PRO 39 1HD PRO 39 13.587 -2.104 -3.752 263 HD3 PRO 39 2HD PRO 39 14.871 -0.880 -3.827 264 H VAL 40 H VAL 40 10.548 2.458 -3.549 265 HA VAL 40 HA VAL 40 8.462 1.470 -2.004 266 HB VAL 40 HB VAL 40 8.301 2.992 -4.608 267 HG11 VAL 40 1HG1 VAL 40 6.046 3.588 -3.971 268 HG12 VAL 40 2HG1 VAL 40 6.195 1.832 -4.046 269 HG13 VAL 40 3HG1 VAL 40 6.188 2.652 -2.484 270 HG21 VAL 40 3HG2 VAL 40 8.766 3.754 -1.787 271 HG22 VAL 40 1HG2 VAL 40 9.338 4.507 -3.276 272 HG23 VAL 40 2HG2 VAL 40 7.687 4.788 -2.723 273 HA PRO 41 HA PRO 41 7.528 -2.300 -4.180 274 HB2 PRO 41 1HB PRO 41 5.397 -2.989 -2.645 275 HB3 PRO 41 2HB PRO 41 7.070 -3.194 -2.114 276 HG2 PRO 41 1HG PRO 41 5.127 -1.014 -1.456 277 HG3 PRO 41 2HG PRO 41 6.256 -1.867 -0.386 278 HD2 PRO 41 1HD PRO 41 6.772 0.597 -1.382 279 HD3 PRO 41 2HD PRO 41 8.053 -0.588 -1.055 280 H ARG 42 H ARG 42 5.836 -3.134 -5.497 281 HA ARG 42 HA ARG 42 4.292 -1.112 -6.800 282 HB2 ARG 42 1HB ARG 42 4.715 -4.046 -7.167 283 HB3 ARG 42 2HB ARG 42 3.332 -3.292 -7.947 284 HG2 ARG 42 1HG ARG 42 4.859 -3.080 -9.612 285 HG3 ARG 42 2HG ARG 42 5.175 -1.574 -8.746 286 HD2 ARG 42 1HD ARG 42 6.927 -2.889 -7.443 287 HD3 ARG 42 2HD ARG 42 6.738 -4.139 -8.672 288 HE ARG 42 HE ARG 42 7.199 -1.870 -10.101 289 HH11 ARG 42 2HH1 ARG 42 8.861 -3.504 -7.515 290 HH12 ARG 42 1HH1 ARG 42 10.433 -2.973 -8.015 291 HH21 ARG 42 2HH2 ARG 42 9.262 -1.165 -10.769 292 HH22 ARG 42 1HH2 ARG 42 10.660 -1.642 -9.866 293 H ILE 43 H ILE 43 2.311 -0.447 -6.317 294 HA ILE 43 HA ILE 43 0.734 -1.992 -4.392 295 HB ILE 43 HB ILE 43 0.208 0.816 -5.362 296 HG12 ILE 43 1HG1 ILE 43 2.400 0.746 -4.299 297 HG13 ILE 43 2HG1 ILE 43 1.247 1.552 -3.240 298 HG21 ILE 43 1HG2 ILE 43 -0.968 -0.957 -3.279 299 HG22 ILE 43 2HG2 ILE 43 -0.918 0.781 -2.990 300 HG23 ILE 43 3HG2 ILE 43 -1.762 0.146 -4.402 301 HD11 ILE 43 3HD1 ILE 43 2.227 0.218 -1.710 302 HD12 ILE 43 1HD1 ILE 43 1.019 -0.927 -2.293 303 HD13 ILE 43 2HD1 ILE 43 2.674 -1.006 -2.898 304 H THR 44 H THR 44 -0.619 -3.400 -5.294 305 HA THR 44 HA THR 44 -2.296 -2.477 -7.528 306 HB THR 44 HB THR 44 -1.022 -5.206 -7.267 307 HG1 THR 44 HG1 THR 44 -0.336 -4.414 -9.504 308 HG21 THR 44 3HG2 THR 44 -2.139 -5.487 -9.574 309 HG22 THR 44 1HG2 THR 44 -3.193 -4.170 -9.062 310 HG23 THR 44 2HG2 THR 44 -3.142 -5.669 -8.135 311 H TRP 45 H TRP 45 -4.408 -2.698 -7.176 312 HA TRP 45 HA TRP 45 -5.265 -4.359 -4.907 313 HB2 TRP 45 1HB TRP 45 -6.698 -2.057 -6.252 314 HB3 TRP 45 2HB TRP 45 -7.281 -2.953 -4.851 315 HD1 TRP 45 HD1 TRP 45 -4.194 -0.784 -5.783 316 HE1 TRP 45 HE1 TRP 45 -3.493 0.529 -3.683 317 HE3 TRP 45 HE3 TRP 45 -7.580 -2.696 -2.463 318 HZ2 TRP 45 HZ2 TRP 45 -4.272 0.727 -0.977 319 HZ3 TRP 45 HZ3 TRP 45 -7.534 -1.892 -0.138 320 HH2 TRP 45 HH2 TRP 45 -5.914 -0.216 0.588 321 H LEU 46 H LEU 46 -6.700 -5.986 -5.169 322 HA LEU 46 HA LEU 46 -8.074 -6.273 -7.737 323 HB2 LEU 46 1HB LEU 46 -6.797 -8.686 -6.541 324 HB3 LEU 46 2HB LEU 46 -7.268 -8.377 -8.211 325 HG LEU 46 HG LEU 46 -5.323 -6.649 -8.162 326 HD11 LEU 46 1HD1 LEU 46 -4.075 -6.549 -6.336 327 HD12 LEU 46 2HD1 LEU 46 -3.728 -8.273 -6.456 328 HD13 LEU 46 3HD1 LEU 46 -5.137 -7.719 -5.551 329 HD21 LEU 46 3HD2 LEU 46 -4.446 -9.508 -8.080 330 HD22 LEU 46 1HD2 LEU 46 -3.951 -8.215 -9.172 331 HD23 LEU 46 2HD2 LEU 46 -5.547 -8.946 -9.339 332 H LEU 47 H LEU 47 -9.911 -7.661 -7.675 333 HA LEU 47 HA LEU 47 -11.063 -7.867 -4.991 334 HB2 LEU 47 1HB LEU 47 -12.155 -6.733 -7.084 335 HB3 LEU 47 2HB LEU 47 -12.601 -8.388 -7.495 336 HG LEU 47 HG LEU 47 -13.959 -8.595 -5.559 337 HD11 LEU 47 1HD1 LEU 47 -12.739 -7.612 -3.833 338 HD12 LEU 47 2HD1 LEU 47 -14.153 -6.573 -4.000 339 HD13 LEU 47 3HD1 LEU 47 -12.605 -6.069 -4.678 340 HD21 LEU 47 3HD2 LEU 47 -14.552 -5.788 -6.405 341 HD22 LEU 47 1HD2 LEU 47 -15.663 -7.118 -6.074 342 HD23 LEU 47 2HD2 LEU 47 -14.706 -7.117 -7.555 343 H ASN 48 H ASN 48 -10.050 -9.761 -4.285 344 HA ASN 48 HA ASN 48 -9.516 -12.011 -4.251 345 HB2 ASN 48 1HB ASN 48 -11.557 -13.381 -4.026 346 HB3 ASN 48 2HB ASN 48 -11.679 -11.872 -3.126 347 HD21 ASN 48 1HD2 ASN 48 -12.951 -10.168 -4.017 348 HD22 ASN 48 2HD2 ASN 48 -14.256 -10.526 -5.091 349 H GLY 49 H GLY 49 -8.937 -11.060 -6.787 350 HA2 GLY 49 1HA GLY 49 -8.738 -13.374 -8.299 351 HA3 GLY 49 2HA GLY 49 -10.190 -12.555 -8.855 352 H GLN 50 H GLN 50 -9.999 -10.941 -10.294 353 HA GLN 50 HA GLN 50 -7.336 -10.333 -11.277 354 HB2 GLN 50 1HB GLN 50 -8.437 -9.338 -13.170 355 HB3 GLN 50 2HB GLN 50 -9.205 -10.882 -12.828 356 HG2 GLN 50 1HG GLN 50 -10.917 -9.513 -11.500 357 HG3 GLN 50 2HG GLN 50 -10.253 -8.120 -12.353 358 HE21 GLN 50 1HE2 GLN 50 -11.477 -11.387 -12.986 359 HE22 GLN 50 2HE2 GLN 50 -12.304 -10.980 -14.447 360 HA PRO 51 HA PRO 51 -6.899 -6.404 -9.369 361 HB2 PRO 51 1HB PRO 51 -5.467 -5.079 -11.257 362 HB3 PRO 51 2HB PRO 51 -4.777 -6.355 -10.247 363 HG2 PRO 51 1HG PRO 51 -5.794 -6.507 -13.058 364 HG3 PRO 51 2HG PRO 51 -4.331 -7.223 -12.358 365 HD2 PRO 51 1HD PRO 51 -6.592 -8.651 -12.783 366 HD3 PRO 51 2HD PRO 51 -5.487 -8.992 -11.437 367 H ILE 52 H ILE 52 -7.245 -4.034 -9.750 368 HA ILE 52 HA ILE 52 -9.693 -3.665 -11.308 369 HB ILE 52 HB ILE 52 -8.445 -1.818 -9.270 370 HG12 ILE 52 1HG1 ILE 52 -10.890 -3.541 -8.893 371 HG13 ILE 52 2HG1 ILE 52 -9.278 -4.103 -8.464 372 HG21 ILE 52 1HG2 ILE 52 -10.624 -0.701 -9.287 373 HG22 ILE 52 2HG2 ILE 52 -9.858 -0.656 -10.874 374 HG23 ILE 52 3HG2 ILE 52 -11.170 -1.792 -10.561 375 HD11 ILE 52 3HD1 ILE 52 -10.068 -3.296 -6.464 376 HD12 ILE 52 1HD1 ILE 52 -9.168 -1.912 -7.083 377 HD13 ILE 52 2HD1 ILE 52 -10.926 -1.955 -7.221 378 H GLN 53 H GLN 53 -9.951 -2.016 -12.813 379 HA GLN 53 HA GLN 53 -7.452 -1.061 -13.992 380 HB2 GLN 53 1HB GLN 53 -10.148 -0.686 -15.246 381 HB3 GLN 53 2HB GLN 53 -8.579 -0.863 -16.021 382 HG2 GLN 53 1HG GLN 53 -9.892 -3.099 -14.511 383 HG3 GLN 53 2HG GLN 53 -10.183 -2.806 -16.224 384 HE21 GLN 53 1HE2 GLN 53 -8.619 -3.302 -17.704 385 HE22 GLN 53 2HE2 GLN 53 -7.176 -4.165 -17.307 386 H TYR 54 H TYR 54 -10.677 0.206 -13.161 387 HA TYR 54 HA TYR 54 -9.739 2.934 -13.390 388 HB2 TYR 54 1HB TYR 54 -12.036 3.559 -12.869 389 HB3 TYR 54 2HB TYR 54 -12.017 2.317 -14.116 390 HD1 TYR 54 HD2 TYR 54 -12.709 0.011 -13.577 391 HD2 TYR 54 HD1 TYR 54 -13.006 3.146 -10.716 392 HE1 TYR 54 HE2 TYR 54 -14.232 -1.372 -12.228 393 HE2 TYR 54 HE1 TYR 54 -14.529 1.771 -9.359 394 HH TYR 54 HH TYR 54 -14.888 -0.901 -9.135 395 H ALA 55 H ALA 55 -8.494 1.246 -11.382 396 HA ALA 55 HA ALA 55 -9.508 2.083 -8.817 397 HB1 ALA 55 3HB ALA 55 -8.295 0.386 -8.056 398 HB2 ALA 55 1HB ALA 55 -7.833 0.041 -9.723 399 HB3 ALA 55 2HB ALA 55 -6.814 1.074 -8.720 400 H ARG 56 H ARG 56 -9.337 4.197 -8.361 401 HA ARG 56 HA ARG 56 -7.070 5.758 -9.227 402 HB2 ARG 56 1HB ARG 56 -9.519 6.399 -7.586 403 HB3 ARG 56 2HB ARG 56 -8.241 7.572 -7.877 404 HG2 ARG 56 1HG ARG 56 -8.697 7.683 -10.161 405 HG3 ARG 56 2HG ARG 56 -9.608 6.172 -10.144 406 HD2 ARG 56 1HD ARG 56 -11.287 7.758 -10.266 407 HD3 ARG 56 2HD ARG 56 -11.195 7.439 -8.534 408 HE ARG 56 HE ARG 56 -9.486 9.562 -9.075 409 HH11 ARG 56 2HH1 ARG 56 -12.891 8.857 -9.235 410 HH12 ARG 56 1HH1 ARG 56 -13.377 10.497 -8.958 411 HH21 ARG 56 2HH2 ARG 56 -10.112 11.725 -8.710 412 HH22 ARG 56 1HH2 ARG 56 -11.795 12.127 -8.661 413 H SER 57 H SER 57 -6.238 3.661 -7.611 414 HA SER 57 HA SER 57 -5.973 4.212 -4.892 415 HB2 SER 57 1HB SER 57 -4.457 2.552 -6.855 416 HB3 SER 57 2HB SER 57 -3.723 2.850 -5.280 417 HG SER 57 HG SER 57 -5.046 1.448 -4.471 418 H THR 58 H THR 58 -4.281 5.114 -3.666 419 HA THR 58 HA THR 58 -2.283 6.712 -5.074 420 HB THR 58 HB THR 58 -2.812 8.668 -3.532 421 HG1 THR 58 HG1 THR 58 -4.299 8.126 -2.104 422 HG21 THR 58 3HG2 THR 58 -5.181 8.429 -5.250 423 HG22 THR 58 1HG2 THR 58 -3.652 8.094 -6.062 424 HG23 THR 58 2HG2 THR 58 -3.899 9.640 -5.249 425 H CYS 59 H CYS 59 -0.376 6.375 -4.154 426 HA CYS 59 HA CYS 59 -0.298 5.717 -1.283 427 HB2 CYS 59 1HB CYS 59 0.327 3.743 -2.446 428 HB3 CYS 59 2HB CYS 59 1.339 4.638 -3.573 429 HG CYS 59 HG CYS 59 2.934 3.075 -1.848 430 H GLU 60 H GLU 60 0.311 7.558 -0.311 431 HA GLU 60 HA GLU 60 2.734 8.892 -1.329 432 HB2 GLU 60 1HB GLU 60 1.848 11.014 -0.475 433 HB3 GLU 60 2HB GLU 60 0.783 10.315 -1.686 434 HG2 GLU 60 1HG GLU 60 -0.732 10.969 -0.113 435 HG3 GLU 60 2HG GLU 60 -0.435 9.308 0.395 436 H ALA 61 H ALA 61 4.393 8.832 0.024 437 HA ALA 61 HA ALA 61 5.639 8.733 1.929 438 HB1 ALA 61 3HB ALA 61 3.583 9.198 3.907 439 HB2 ALA 61 1HB ALA 61 4.993 10.174 3.494 440 HB3 ALA 61 2HB ALA 61 3.491 10.366 2.588 441 H GLY 62 H GLY 62 4.383 6.380 0.887 442 HA2 GLY 62 1HA GLY 62 4.313 4.156 1.491 443 HA3 GLY 62 2HA GLY 62 4.790 4.634 3.113 444 H VAL 63 H VAL 63 2.043 6.239 1.871 445 HA VAL 63 HA VAL 63 0.306 4.532 3.532 446 HB VAL 63 HB VAL 63 -0.116 7.439 2.824 447 HG11 VAL 63 1HG1 VAL 63 -2.023 5.667 3.479 448 HG12 VAL 63 2HG1 VAL 63 -1.513 6.165 5.093 449 HG13 VAL 63 3HG1 VAL 63 -2.084 7.369 3.937 450 HG21 VAL 63 3HG2 VAL 63 1.597 7.658 4.309 451 HG22 VAL 63 1HG2 VAL 63 0.263 7.514 5.453 452 HG23 VAL 63 2HG2 VAL 63 1.268 6.111 5.089 453 H ALA 64 H ALA 64 -0.244 3.103 1.862 454 HA ALA 64 HA ALA 64 -1.313 4.038 -0.629 455 HB1 ALA 64 3HB ALA 64 -0.762 1.430 0.619 456 HB2 ALA 64 1HB ALA 64 -2.095 1.457 -0.536 457 HB3 ALA 64 2HB ALA 64 -0.485 1.982 -1.032 458 H GLU 65 H GLU 65 -3.400 4.300 -1.238 459 HA GLU 65 HA GLU 65 -5.547 3.435 0.532 460 HB2 GLU 65 1HB GLU 65 -5.538 6.289 -0.401 461 HB3 GLU 65 2HB GLU 65 -6.495 5.550 0.876 462 HG2 GLU 65 1HG GLU 65 -4.399 5.261 2.186 463 HG3 GLU 65 2HG GLU 65 -3.556 6.182 0.942 464 H LEU 66 H LEU 66 -7.614 3.393 -0.471 465 HA LEU 66 HA LEU 66 -7.603 3.792 -3.383 466 HB2 LEU 66 1HB LEU 66 -7.261 1.413 -2.880 467 HB3 LEU 66 2HB LEU 66 -8.748 1.409 -1.934 468 HG LEU 66 HG LEU 66 -9.825 2.180 -4.199 469 HD11 LEU 66 1HD1 LEU 66 -7.636 2.409 -5.338 470 HD12 LEU 66 2HD1 LEU 66 -8.738 1.299 -6.151 471 HD13 LEU 66 3HD1 LEU 66 -7.409 0.667 -5.178 472 HD21 LEU 66 3HD2 LEU 66 -10.716 0.132 -4.195 473 HD22 LEU 66 1HD2 LEU 66 -9.665 -0.185 -2.814 474 HD23 LEU 66 2HD2 LEU 66 -9.151 -0.647 -4.437 475 H HIS 67 H HIS 67 -9.029 5.363 -3.730 476 HA HIS 67 HA HIS 67 -11.303 5.756 -1.995 477 HB2 HIS 67 1HB HIS 67 -10.543 7.194 -4.546 478 HB3 HIS 67 2HB HIS 67 -11.768 7.713 -3.392 479 HD1 HIS 67 HD1 HIS 67 -10.996 9.255 -1.605 480 HD2 HIS 67 HD2 HIS 67 -7.842 7.198 -3.362 481 HE1 HIS 67 HE1 HIS 67 -8.910 10.237 -0.601 482 HE2 HIS 67 HE2 HIS 67 -7.013 9.036 -1.742 483 H ILE 68 H ILE 68 -13.248 4.896 -2.267 484 HA ILE 68 HA ILE 68 -14.021 3.983 -4.960 485 HB ILE 68 HB ILE 68 -14.665 2.594 -2.356 486 HG12 ILE 68 1HG1 ILE 68 -12.317 2.303 -3.064 487 HG13 ILE 68 2HG1 ILE 68 -13.225 0.798 -3.173 488 HG21 ILE 68 1HG2 ILE 68 -16.244 2.615 -4.516 489 HG22 ILE 68 2HG2 ILE 68 -15.154 1.305 -4.970 490 HG23 ILE 68 3HG2 ILE 68 -16.070 1.209 -3.466 491 HD11 ILE 68 3HD1 ILE 68 -12.580 0.594 -5.272 492 HD12 ILE 68 1HD1 ILE 68 -13.442 2.078 -5.673 493 HD13 ILE 68 2HD1 ILE 68 -11.748 2.147 -5.189 494 H GLN 69 H GLN 69 -15.690 5.117 -5.674 495 HA GLN 69 HA GLN 69 -17.585 6.241 -3.733 496 HB2 GLN 69 1HB GLN 69 -18.162 7.873 -5.383 497 HB3 GLN 69 2HB GLN 69 -16.407 7.790 -5.312 498 HG2 GLN 69 1HG GLN 69 -16.736 6.072 -7.272 499 HG3 GLN 69 2HG GLN 69 -18.263 6.931 -7.466 500 HE21 GLN 69 1HE2 GLN 69 -17.014 7.264 -9.583 501 HE22 GLN 69 2HE2 GLN 69 -16.092 8.722 -9.684 502 H ASP 70 H ASP 70 -19.877 6.316 -4.389 503 HA ASP 70 HA ASP 70 -21.813 5.227 -4.887 504 HB2 ASP 70 1HB ASP 70 -20.718 5.777 -7.225 505 HB3 ASP 70 2HB ASP 70 -20.558 4.025 -7.320 506 H ALA 71 H ALA 71 -20.265 3.877 -3.081 507 HA ALA 71 HA ALA 71 -19.482 1.303 -3.517 508 HB1 ALA 71 3HB ALA 71 -21.097 2.174 -1.127 509 HB2 ALA 71 1HB ALA 71 -19.942 0.843 -1.209 510 HB3 ALA 71 2HB ALA 71 -19.380 2.510 -1.347 511 H LEU 72 H LEU 72 -20.638 0.170 -5.044 512 HA LEU 72 HA LEU 72 -23.494 -0.201 -4.744 513 HB2 LEU 72 1HB LEU 72 -21.474 -1.219 -6.725 514 HB3 LEU 72 2HB LEU 72 -23.164 -1.720 -6.744 515 HG LEU 72 HG LEU 72 -22.099 1.065 -7.197 516 HD11 LEU 72 1HD1 LEU 72 -23.798 -0.219 -9.201 517 HD12 LEU 72 2HD1 LEU 72 -22.243 -1.013 -8.955 518 HD13 LEU 72 3HD1 LEU 72 -22.301 0.694 -9.393 519 HD21 LEU 72 3HD2 LEU 72 -24.077 1.753 -6.425 520 HD22 LEU 72 1HD2 LEU 72 -24.728 0.114 -6.388 521 HD23 LEU 72 2HD2 LEU 72 -24.763 1.043 -7.887 522 HA PRO 73 HA PRO 73 -23.435 -3.969 -2.491 523 HB2 PRO 73 1HB PRO 73 -25.578 -5.253 -3.553 524 HB3 PRO 73 2HB PRO 73 -25.730 -3.858 -2.477 525 HG2 PRO 73 1HG PRO 73 -25.884 -3.971 -5.465 526 HG3 PRO 73 2HG PRO 73 -26.905 -3.075 -4.325 527 HD2 PRO 73 1HD PRO 73 -24.898 -1.904 -5.716 528 HD3 PRO 73 2HD PRO 73 -25.363 -1.378 -4.086 529 H GLU 74 H GLU 74 -22.769 -3.858 -5.785 530 HA GLU 74 HA GLU 74 -22.371 -6.746 -6.029 531 HB2 GLU 74 1HB GLU 74 -21.877 -6.253 -8.403 532 HB3 GLU 74 2HB GLU 74 -23.465 -5.683 -7.908 533 HG2 GLU 74 1HG GLU 74 -22.743 -3.433 -7.848 534 HG3 GLU 74 2HG GLU 74 -21.050 -3.901 -7.992 535 H ASP 75 H ASP 75 -20.691 -4.209 -4.845 536 HA ASP 75 HA ASP 75 -18.094 -5.016 -5.917 537 HB2 ASP 75 1HB ASP 75 -18.253 -2.677 -5.871 538 HB3 ASP 75 2HB ASP 75 -19.043 -2.670 -4.297 539 H HIS 76 H HIS 76 -20.031 -5.219 -3.041 540 HA HIS 76 HA HIS 76 -18.325 -5.641 -0.995 541 HB2 HIS 76 1HB HIS 76 -20.525 -5.936 -0.373 542 HB3 HIS 76 2HB HIS 76 -20.890 -6.964 -1.755 543 HD1 HIS 76 HD1 HIS 76 -21.800 -8.981 -0.572 544 HD2 HIS 76 HD2 HIS 76 -18.118 -7.776 0.928 545 HE1 HIS 76 HE1 HIS 76 -21.097 -10.795 1.021 546 HE2 HIS 76 HE2 HIS 76 -18.907 -10.003 1.980 547 H GLY 77 H GLY 77 -16.340 -6.513 -1.384 548 HA2 GLY 77 1HA GLY 77 -16.269 -9.404 -1.768 549 HA3 GLY 77 2HA GLY 77 -15.415 -8.436 -2.960 550 H THR 78 H THR 78 -13.396 -9.251 -2.425 551 HA THR 78 HA THR 78 -12.365 -8.363 0.190 552 HB THR 78 HB THR 78 -11.570 -10.866 -1.311 553 HG1 THR 78 HG1 THR 78 -12.626 -10.789 1.304 554 HG21 THR 78 3HG2 THR 78 -10.215 -9.304 0.725 555 HG22 THR 78 1HG2 THR 78 -9.623 -10.662 -0.230 556 HG23 THR 78 2HG2 THR 78 -10.521 -10.957 1.259 557 H TYR 79 H TYR 79 -11.164 -6.620 -0.245 558 HA TYR 79 HA TYR 79 -9.740 -6.313 -2.722 559 HB2 TYR 79 1HB TYR 79 -9.903 -4.651 -0.210 560 HB3 TYR 79 2HB TYR 79 -8.864 -4.216 -1.563 561 HD1 TYR 79 HD2 TYR 79 -12.404 -4.879 -0.648 562 HD2 TYR 79 HD1 TYR 79 -9.729 -3.044 -3.401 563 HE1 TYR 79 HE2 TYR 79 -14.303 -3.755 -1.734 564 HE2 TYR 79 HE1 TYR 79 -11.621 -1.915 -4.495 565 HH TYR 79 HH TYR 79 -14.297 -1.293 -3.360 566 H THR 80 H THR 80 -7.701 -6.846 -3.154 567 HA THR 80 HA THR 80 -5.978 -7.672 -0.909 568 HB THR 80 HB THR 80 -5.917 -8.659 -3.767 569 HG1 THR 80 HG1 THR 80 -6.746 -10.557 -2.887 570 HG21 THR 80 3HG2 THR 80 -3.832 -8.562 -1.956 571 HG22 THR 80 1HG2 THR 80 -3.946 -9.636 -3.350 572 HG23 THR 80 2HG2 THR 80 -4.470 -10.194 -1.761 573 H CYS 81 H CYS 81 -4.421 -6.255 -0.503 574 HA CYS 81 HA CYS 81 -3.425 -4.554 -2.670 575 HB2 CYS 81 1HB CYS 81 -4.237 -3.518 -0.532 576 HB3 CYS 81 2HB CYS 81 -2.900 -4.305 0.297 577 HG CYS 81 HG CYS 81 -1.656 -2.676 -2.241 578 H LEU 82 H LEU 82 -1.934 -5.768 -3.745 579 HA LEU 82 HA LEU 82 0.060 -7.293 -2.309 580 HB2 LEU 82 1HB LEU 82 -0.535 -8.374 -4.249 581 HB3 LEU 82 2HB LEU 82 -0.666 -6.875 -5.168 582 HG LEU 82 HG LEU 82 1.765 -6.724 -5.292 583 HD11 LEU 82 1HD1 LEU 82 1.839 -8.227 -3.060 584 HD12 LEU 82 2HD1 LEU 82 3.209 -8.021 -4.151 585 HD13 LEU 82 3HD1 LEU 82 2.191 -9.455 -4.276 586 HD21 LEU 82 3HD2 LEU 82 0.954 -7.802 -7.161 587 HD22 LEU 82 1HD2 LEU 82 0.373 -9.190 -6.241 588 HD23 LEU 82 2HD2 LEU 82 2.100 -8.990 -6.538 589 H ALA 83 H ALA 83 2.048 -6.640 -1.784 590 HA ALA 83 HA ALA 83 3.161 -4.265 -3.107 591 HB1 ALA 83 3HB ALA 83 4.098 -3.802 -0.671 592 HB2 ALA 83 1HB ALA 83 2.534 -3.183 -1.204 593 HB3 ALA 83 2HB ALA 83 2.615 -4.640 -0.214 594 H GLU 84 H GLU 84 4.828 -5.156 -4.178 595 HA GLU 84 HA GLU 84 6.824 -6.611 -2.589 596 HB2 GLU 84 1HB GLU 84 7.212 -8.171 -4.425 597 HB3 GLU 84 2HB GLU 84 5.547 -8.268 -3.869 598 HG2 GLU 84 1HG GLU 84 4.876 -6.823 -5.759 599 HG3 GLU 84 2HG GLU 84 6.540 -6.868 -6.340 600 H ASN 85 H ASN 85 8.987 -6.543 -3.483 601 HA ASN 85 HA ASN 85 9.476 -4.560 -5.562 602 HB2 ASN 85 1HB ASN 85 10.957 -3.218 -4.229 603 HB3 ASN 85 2HB ASN 85 9.425 -3.340 -3.369 604 HD21 ASN 85 1HD2 ASN 85 11.211 -2.580 -1.759 605 HD22 ASN 85 2HD2 ASN 85 11.885 -3.842 -0.790 606 H ALA 86 H ALA 86 12.115 -4.311 -5.547 607 HA ALA 86 HA ALA 86 13.055 -6.763 -6.551 608 HB1 ALA 86 3HB ALA 86 13.905 -4.133 -6.613 609 HB2 ALA 86 1HB ALA 86 15.184 -4.971 -5.733 610 HB3 ALA 86 2HB ALA 86 14.720 -5.515 -7.346 611 H LEU 87 H LEU 87 12.714 -5.712 -3.369 612 HA LEU 87 HA LEU 87 14.894 -7.361 -2.344 613 HB2 LEU 87 1HB LEU 87 13.115 -5.264 -1.234 614 HB3 LEU 87 2HB LEU 87 13.718 -6.489 -0.120 615 HG LEU 87 HG LEU 87 14.989 -4.228 -0.425 616 HD11 LEU 87 1HD1 LEU 87 16.025 -6.990 -0.090 617 HD12 LEU 87 2HD1 LEU 87 16.003 -5.641 1.046 618 HD13 LEU 87 3HD1 LEU 87 17.192 -5.677 -0.256 619 HD21 LEU 87 3HD2 LEU 87 16.369 -5.796 -2.576 620 HD22 LEU 87 1HD2 LEU 87 16.539 -4.091 -2.159 621 HD23 LEU 87 2HD2 LEU 87 15.073 -4.661 -2.957 622 H GLY 88 H GLY 88 11.561 -6.947 -1.169 623 HA2 GLY 88 1HA GLY 88 11.342 -9.894 -1.092 624 HA3 GLY 88 2HA GLY 88 10.750 -8.870 0.208 625 H GLN 89 H GLN 89 8.722 -10.031 -0.188 626 HA GLN 89 HA GLN 89 7.011 -8.485 -1.907 627 HB2 GLN 89 1HB GLN 89 6.305 -10.144 -3.393 628 HB3 GLN 89 2HB GLN 89 8.050 -10.357 -3.339 629 HG2 GLN 89 1HG GLN 89 7.406 -12.519 -3.132 630 HG3 GLN 89 2HG GLN 89 7.428 -12.066 -1.429 631 HE21 GLN 89 1HE2 GLN 89 5.129 -11.601 -4.093 632 HE22 GLN 89 2HE2 GLN 89 3.767 -12.262 -3.260 633 H VAL 90 H VAL 90 5.149 -8.198 -0.877 634 HA VAL 90 HA VAL 90 4.139 -10.327 0.875 635 HB VAL 90 HB VAL 90 3.568 -8.762 2.624 636 HG11 VAL 90 1HG1 VAL 90 6.453 -8.457 1.796 637 HG12 VAL 90 2HG1 VAL 90 5.808 -8.167 3.413 638 HG13 VAL 90 3HG1 VAL 90 5.775 -9.792 2.727 639 HG21 VAL 90 3HG2 VAL 90 5.107 -6.516 1.493 640 HG22 VAL 90 1HG2 VAL 90 3.550 -6.845 0.733 641 HG23 VAL 90 2HG2 VAL 90 3.635 -6.509 2.463 642 H SER 91 H SER 91 1.843 -10.050 1.436 643 HA SER 91 HA SER 91 0.290 -8.249 -0.222 644 HB2 SER 91 1HB SER 91 -0.922 -9.908 -1.420 645 HB3 SER 91 2HB SER 91 0.779 -10.332 -1.607 646 HG SER 91 HG SER 91 0.530 -11.937 -0.085 647 H CYS 92 H CYS 92 -1.806 -7.934 0.520 648 HA CYS 92 HA CYS 92 -2.635 -9.454 2.886 649 HB2 CYS 92 1HB CYS 92 -3.086 -7.519 4.174 650 HB3 CYS 92 2HB CYS 92 -1.477 -7.272 3.508 651 HG CYS 92 HG CYS 92 -1.974 -5.033 2.358 652 H SER 93 H SER 93 -4.919 -9.259 3.380 653 HA SER 93 HA SER 93 -6.546 -8.364 1.097 654 HB2 SER 93 1HB SER 93 -8.021 -10.362 1.515 655 HB3 SER 93 2HB SER 93 -6.419 -10.756 0.892 656 HG SER 93 HG SER 93 -5.995 -10.859 3.365 657 H ALA 94 H ALA 94 -8.665 -7.683 1.589 658 HA ALA 94 HA ALA 94 -9.305 -7.372 4.437 659 HB1 ALA 94 3HB ALA 94 -9.263 -5.138 4.425 660 HB2 ALA 94 1HB ALA 94 -8.300 -5.294 2.956 661 HB3 ALA 94 2HB ALA 94 -10.042 -5.042 2.846 662 H TRP 95 H TRP 95 -11.446 -7.512 4.938 663 HA TRP 95 HA TRP 95 -13.234 -8.240 2.730 664 HB2 TRP 95 1HB TRP 95 -12.939 -9.859 4.595 665 HB3 TRP 95 2HB TRP 95 -13.608 -8.664 5.703 666 HD1 TRP 95 HD1 TRP 95 -16.232 -7.812 4.891 667 HE1 TRP 95 HE1 TRP 95 -18.172 -9.338 4.162 668 HE3 TRP 95 HE3 TRP 95 -13.554 -11.976 3.617 669 HZ2 TRP 95 HZ2 TRP 95 -18.521 -11.960 3.178 670 HZ3 TRP 95 HZ3 TRP 95 -14.767 -13.951 2.791 671 HH2 TRP 95 HH2 TRP 95 -17.199 -13.941 2.577 672 H VAL 96 H VAL 96 -14.232 -6.479 1.954 673 HA VAL 96 HA VAL 96 -15.314 -4.516 3.857 674 HB VAL 96 HB VAL 96 -14.902 -4.249 0.876 675 HG11 VAL 96 1HG1 VAL 96 -15.728 -2.189 2.919 676 HG12 VAL 96 2HG1 VAL 96 -15.441 -1.897 1.203 677 HG13 VAL 96 3HG1 VAL 96 -16.785 -2.920 1.712 678 HG21 VAL 96 3HG2 VAL 96 -12.996 -4.172 2.869 679 HG22 VAL 96 1HG2 VAL 96 -12.850 -3.459 1.262 680 HG23 VAL 96 2HG2 VAL 96 -13.395 -2.473 2.619 681 H THR 97 H THR 97 -17.430 -4.430 4.212 682 HA THR 97 HA THR 97 -19.214 -5.877 2.370 683 HB THR 97 HB THR 97 -19.845 -5.127 5.225 684 HG1 THR 97 HG1 THR 97 -18.375 -6.610 5.653 685 HG21 THR 97 3HG2 THR 97 -21.875 -5.845 4.640 686 HG22 THR 97 1HG2 THR 97 -21.180 -7.454 4.451 687 HG23 THR 97 2HG2 THR 97 -21.296 -6.375 3.061 688 H VAL 98 H VAL 98 -21.030 -4.906 1.559 689 HA VAL 98 HA VAL 98 -21.360 -2.038 2.160 690 HB VAL 98 HB VAL 98 -21.942 -3.372 -0.485 691 HG11 VAL 98 1HG1 VAL 98 -22.721 -0.883 0.623 692 HG12 VAL 98 2HG1 VAL 98 -21.551 -0.562 -0.658 693 HG13 VAL 98 3HG1 VAL 98 -23.006 -1.497 -1.005 694 HG21 VAL 98 3HG2 VAL 98 -19.874 -2.862 -1.252 695 HG22 VAL 98 1HG2 VAL 98 -19.739 -1.419 -0.246 696 HG23 VAL 98 2HG2 VAL 98 -19.452 -3.012 0.454 697 H HIS 99 H HIS 99 -23.200 -1.639 3.180 698 HA HIS 99 HA HIS 99 -25.270 -3.454 3.577 699 HB2 HIS 99 1HB HIS 99 -25.359 -0.432 3.694 700 HB3 HIS 99 2HB HIS 99 -26.591 -1.503 4.355 701 HD1 HIS 99 HD1 HIS 99 -25.246 -3.437 6.042 702 HD2 HIS 99 HD2 HIS 99 -23.782 0.436 5.693 703 HE1 HIS 99 HE1 HIS 99 -23.831 -3.066 8.088 704 HE2 HIS 99 HE2 HIS 99 -23.025 -0.687 7.897 Start of MODEL 19 1 H1 GLY 1 H GLY 1 39.767 6.854 0.596 2 HA2 GLY 1 1HA GLY 1 37.530 8.662 -0.089 3 HA3 GLY 1 2HA GLY 1 38.063 7.368 -1.152 4 H SER 2 H SER 2 36.143 6.254 -1.193 5 HA SER 2 HA SER 2 34.709 4.607 -0.524 6 HB2 SER 2 1HB SER 2 36.835 3.953 0.890 7 HB3 SER 2 2HB SER 2 35.863 4.541 2.238 8 HG SER 2 HG SER 2 34.638 2.797 0.447 9 H SER 3 H SER 3 34.206 7.440 -0.174 10 HA SER 3 HA SER 3 32.422 7.419 2.165 11 HB2 SER 3 1HB SER 3 32.427 9.893 1.957 12 HB3 SER 3 2HB SER 3 34.044 9.237 2.211 13 HG SER 3 HG SER 3 34.594 10.132 0.405 14 H GLY 4 H GLY 4 30.800 6.211 1.046 15 HA2 GLY 4 1HA GLY 4 29.448 7.698 -1.114 16 HA3 GLY 4 2HA GLY 4 29.318 5.964 -0.856 17 H SER 5 H SER 5 27.355 8.309 -0.948 18 HA SER 5 HA SER 5 26.169 8.962 1.386 19 HB2 SER 5 1HB SER 5 24.614 7.955 -1.007 20 HB3 SER 5 2HB SER 5 24.050 9.085 0.224 21 HG SER 5 HG SER 5 25.695 9.509 -1.956 22 H SER 6 H SER 6 24.493 8.087 2.701 23 HA SER 6 HA SER 6 24.655 5.166 2.920 24 HB2 SER 6 1HB SER 6 23.707 5.569 5.227 25 HB3 SER 6 2HB SER 6 25.302 6.269 4.948 26 HG SER 6 HG SER 6 22.803 7.611 4.911 27 H GLY 7 H GLY 7 23.125 4.526 1.415 28 HA2 GLY 7 1HA GLY 7 20.341 5.115 2.185 29 HA3 GLY 7 2HA GLY 7 20.833 5.212 0.501 30 H MET 8 H MET 8 20.463 3.028 3.247 31 HA MET 8 HA MET 8 20.822 0.681 1.600 32 HB2 MET 8 1HB MET 8 21.476 0.886 4.057 33 HB3 MET 8 2HB MET 8 19.761 0.756 4.421 34 HG2 MET 8 1HG MET 8 20.759 -1.395 4.671 35 HG3 MET 8 2HG MET 8 19.723 -1.420 3.246 36 HE1 MET 8 3HE MET 8 22.640 -3.429 4.051 37 HE2 MET 8 1HE MET 8 24.042 -2.469 3.578 38 HE3 MET 8 2HE MET 8 22.957 -1.882 4.838 39 H GLU 9 H GLU 9 19.208 -0.920 1.237 40 HA GLU 9 HA GLU 9 16.524 0.233 0.997 41 HB2 GLU 9 1HB GLU 9 17.935 -2.021 -0.407 42 HB3 GLU 9 2HB GLU 9 16.186 -1.857 -0.482 43 HG2 GLU 9 1HG GLU 9 16.275 0.033 -1.763 44 HG3 GLU 9 2HG GLU 9 17.862 0.502 -1.157 45 H VAL 10 H VAL 10 14.668 -1.234 1.353 46 HA VAL 10 HA VAL 10 15.186 -3.285 3.393 47 HB VAL 10 HB VAL 10 13.011 -2.439 4.502 48 HG11 VAL 10 1HG1 VAL 10 15.775 -1.473 4.735 49 HG12 VAL 10 2HG1 VAL 10 14.559 -0.455 5.509 50 HG13 VAL 10 3HG1 VAL 10 14.702 -2.155 5.957 51 HG21 VAL 10 3HG2 VAL 10 12.307 -0.265 4.141 52 HG22 VAL 10 1HG2 VAL 10 13.838 0.219 3.412 53 HG23 VAL 10 2HG2 VAL 10 12.713 -0.795 2.509 54 H ALA 11 H ALA 11 13.089 -4.540 3.853 55 HA ALA 11 HA ALA 11 11.983 -5.326 1.270 56 HB1 ALA 11 3HB ALA 11 12.875 -7.114 2.600 57 HB2 ALA 11 1HB ALA 11 11.877 -6.646 3.978 58 HB3 ALA 11 2HB ALA 11 11.122 -7.293 2.520 59 HA PRO 12 HA PRO 12 8.025 -3.526 1.883 60 HB2 PRO 12 1HB PRO 12 6.441 -5.325 0.609 61 HB3 PRO 12 2HB PRO 12 7.519 -4.218 -0.248 62 HG2 PRO 12 1HG PRO 12 7.929 -7.100 0.449 63 HG3 PRO 12 2HG PRO 12 8.294 -6.252 -1.065 64 HD2 PRO 12 1HD PRO 12 10.192 -6.824 0.779 65 HD3 PRO 12 2HD PRO 12 10.263 -5.377 -0.246 66 H SER 13 H SER 13 6.455 -3.517 3.399 67 HA SER 13 HA SER 13 5.438 -5.956 4.553 68 HB2 SER 13 1HB SER 13 7.678 -5.236 5.745 69 HB3 SER 13 2HB SER 13 6.630 -4.065 6.546 70 HG SER 13 HG SER 13 6.919 -6.671 7.059 71 H PHE 14 H PHE 14 3.684 -5.552 6.088 72 HA PHE 14 HA PHE 14 2.412 -2.940 5.599 73 HB2 PHE 14 1HB PHE 14 1.189 -5.678 5.957 74 HB3 PHE 14 2HB PHE 14 0.248 -4.191 6.000 75 HD1 PHE 14 HD2 PHE 14 0.588 -2.611 3.927 76 HD2 PHE 14 HD1 PHE 14 1.416 -6.786 3.959 77 HE1 PHE 14 HE2 PHE 14 0.389 -2.666 1.475 78 HE2 PHE 14 HE1 PHE 14 1.218 -6.848 1.507 79 HZ PHE 14 HZ PHE 14 0.703 -4.786 0.262 80 H SER 15 H SER 15 2.857 -1.763 7.374 81 HA SER 15 HA SER 15 2.889 -2.924 10.009 82 HB2 SER 15 1HB SER 15 3.451 -0.246 8.837 83 HB3 SER 15 2HB SER 15 2.999 -0.304 10.541 84 HG SER 15 HG SER 15 4.695 -2.030 10.637 85 H SER 16 H SER 16 0.678 -1.022 8.069 86 HA SER 16 HA SER 16 -1.304 -1.210 10.243 87 HB2 SER 16 1HB SER 16 -0.367 1.135 9.425 88 HB3 SER 16 2HB SER 16 -1.559 0.903 8.146 89 HG SER 16 HG SER 16 -2.913 0.331 10.204 90 H VAL 17 H VAL 17 -1.218 -3.356 8.732 91 HA VAL 17 HA VAL 17 -2.348 -3.592 6.289 92 HB VAL 17 HB VAL 17 -3.409 -5.717 7.054 93 HG11 VAL 17 1HG1 VAL 17 -1.243 -6.059 6.357 94 HG12 VAL 17 2HG1 VAL 17 -0.559 -5.037 7.622 95 HG13 VAL 17 3HG1 VAL 17 -1.163 -6.647 8.017 96 HG21 VAL 17 3HG2 VAL 17 -4.111 -5.710 9.185 97 HG22 VAL 17 1HG2 VAL 17 -2.443 -6.130 9.575 98 HG23 VAL 17 2HG2 VAL 17 -2.971 -4.450 9.656 99 H LEU 18 H LEU 18 -4.578 -4.211 5.638 100 HA LEU 18 HA LEU 18 -6.425 -2.189 6.481 101 HB2 LEU 18 1HB LEU 18 -6.856 -4.526 4.626 102 HB3 LEU 18 2HB LEU 18 -7.908 -3.121 4.793 103 HG LEU 18 HG LEU 18 -5.067 -2.725 3.963 104 HD11 LEU 18 1HD1 LEU 18 -6.852 -4.411 2.562 105 HD12 LEU 18 2HD1 LEU 18 -5.272 -3.819 2.050 106 HD13 LEU 18 3HD1 LEU 18 -6.726 -2.901 1.660 107 HD21 LEU 18 3HD2 LEU 18 -6.051 -0.846 2.753 108 HD22 LEU 18 1HD2 LEU 18 -6.474 -0.793 4.464 109 HD23 LEU 18 2HD2 LEU 18 -7.660 -1.341 3.280 110 H LYS 19 H LYS 19 -8.625 -2.620 7.185 111 HA LYS 19 HA LYS 19 -8.944 -5.150 8.646 112 HB2 LYS 19 1HB LYS 19 -9.153 -2.356 9.711 113 HB3 LYS 19 2HB LYS 19 -10.138 -3.632 10.412 114 HG2 LYS 19 1HG LYS 19 -8.337 -3.762 11.783 115 HG3 LYS 19 2HG LYS 19 -7.806 -4.875 10.520 116 HD2 LYS 19 1HD LYS 19 -6.311 -3.345 9.624 117 HD3 LYS 19 2HD LYS 19 -7.151 -1.961 10.328 118 HE2 LYS 19 1HE LYS 19 -5.710 -4.034 11.969 119 HE3 LYS 19 2HE LYS 19 -4.942 -2.559 11.386 120 HZ1 LYS 19 3HZ LYS 19 -6.417 -2.867 13.696 121 HZ2 LYS 19 1HZ LYS 19 -7.402 -1.964 12.659 122 HZ3 LYS 19 2HZ LYS 19 -5.847 -1.417 13.037 123 H ASP 20 H ASP 20 -11.235 -5.501 9.345 124 HA ASP 20 HA ASP 20 -12.971 -5.420 7.174 125 HB2 ASP 20 1HB ASP 20 -13.270 -7.004 8.993 126 HB3 ASP 20 2HB ASP 20 -13.612 -5.692 10.118 127 H CYS 21 H CYS 21 -14.008 -3.787 6.261 128 HA CYS 21 HA CYS 21 -14.728 -1.467 7.930 129 HB2 CYS 21 1HB CYS 21 -13.857 -1.616 5.047 130 HB3 CYS 21 2HB CYS 21 -14.662 -0.200 5.712 131 HG CYS 21 HG CYS 21 -12.224 0.743 5.934 132 H ALA 22 H ALA 22 -16.722 -0.432 7.524 133 HA ALA 22 HA ALA 22 -18.637 -1.991 5.919 134 HB1 ALA 22 3HB ALA 22 -18.629 -1.739 8.725 135 HB2 ALA 22 1HB ALA 22 -19.972 -0.763 8.128 136 HB3 ALA 22 2HB ALA 22 -19.865 -2.472 7.703 137 H VAL 23 H VAL 23 -19.951 -0.836 4.625 138 HA VAL 23 HA VAL 23 -20.181 2.058 5.051 139 HB VAL 23 HB VAL 23 -18.371 1.482 3.340 140 HG11 VAL 23 1HG1 VAL 23 -19.943 -0.310 2.317 141 HG12 VAL 23 2HG1 VAL 23 -20.638 1.052 1.436 142 HG13 VAL 23 3HG1 VAL 23 -18.929 0.659 1.249 143 HG21 VAL 23 3HG2 VAL 23 -19.486 3.692 3.583 144 HG22 VAL 23 1HG2 VAL 23 -18.956 3.343 1.938 145 HG23 VAL 23 2HG2 VAL 23 -20.659 3.189 2.367 146 H ILE 24 H ILE 24 -21.942 3.037 3.788 147 HA ILE 24 HA ILE 24 -24.214 1.206 3.656 148 HB ILE 24 HB ILE 24 -24.074 4.220 3.662 149 HG12 ILE 24 1HG1 ILE 24 -23.659 2.982 5.813 150 HG13 ILE 24 2HG1 ILE 24 -25.041 4.071 5.852 151 HG21 ILE 24 1HG2 ILE 24 -25.914 3.389 2.235 152 HG22 ILE 24 2HG2 ILE 24 -26.539 2.486 3.614 153 HG23 ILE 24 3HG2 ILE 24 -26.486 4.248 3.665 154 HD11 ILE 24 3HD1 ILE 24 -26.564 2.243 5.653 155 HD12 ILE 24 1HD1 ILE 24 -25.241 1.108 5.386 156 HD13 ILE 24 2HD1 ILE 24 -25.430 1.889 6.956 157 H GLU 25 H GLU 25 -25.539 0.995 1.858 158 HA GLU 25 HA GLU 25 -24.361 0.933 -0.641 159 HB2 GLU 25 1HB GLU 25 -26.379 -0.319 -0.141 160 HB3 GLU 25 2HB GLU 25 -27.290 1.170 0.061 161 HG2 GLU 25 1HG GLU 25 -26.983 1.696 -2.294 162 HG3 GLU 25 2HG GLU 25 -26.034 0.226 -2.506 163 H GLY 26 H GLY 26 -23.664 2.511 -1.912 164 HA2 GLY 26 1HA GLY 26 -24.102 4.387 -3.322 165 HA3 GLY 26 2HA GLY 26 -25.282 4.952 -2.149 166 H GLN 27 H GLN 27 -23.433 4.462 0.105 167 HA GLN 27 HA GLN 27 -22.269 7.026 0.230 168 HB2 GLN 27 1HB GLN 27 -22.056 4.555 1.918 169 HB3 GLN 27 2HB GLN 27 -21.029 5.944 2.246 170 HG2 GLN 27 1HG GLN 27 -23.171 7.308 2.331 171 HG3 GLN 27 2HG GLN 27 -24.019 5.763 2.382 172 HE21 GLN 27 1HE2 GLN 27 -23.784 7.941 4.364 173 HE22 GLN 27 2HE2 GLN 27 -23.194 7.189 5.803 174 H ASP 28 H ASP 28 -19.847 7.194 0.953 175 HA ASP 28 HA ASP 28 -18.250 5.818 -1.104 176 HB2 ASP 28 1HB ASP 28 -17.640 8.470 0.212 177 HB3 ASP 28 2HB ASP 28 -16.797 7.746 -1.155 178 H PHE 29 H PHE 29 -16.135 5.131 -0.580 179 HA PHE 29 HA PHE 29 -15.219 5.266 2.154 180 HB2 PHE 29 1HB PHE 29 -15.362 3.000 2.719 181 HB3 PHE 29 2HB PHE 29 -16.911 3.319 1.947 182 HD1 PHE 29 HD2 PHE 29 -13.503 2.019 1.241 183 HD2 PHE 29 HD1 PHE 29 -17.625 2.000 0.182 184 HE1 PHE 29 HE2 PHE 29 -13.083 0.186 -0.346 185 HE2 PHE 29 HE1 PHE 29 -17.212 0.167 -1.407 186 HZ PHE 29 HZ PHE 29 -14.939 -0.742 -1.673 187 H VAL 30 H VAL 30 -13.050 5.187 2.253 188 HA VAL 30 HA VAL 30 -11.603 4.227 -0.130 189 HB VAL 30 HB VAL 30 -11.336 6.556 -0.225 190 HG11 VAL 30 1HG1 VAL 30 -12.251 6.927 2.091 191 HG12 VAL 30 2HG1 VAL 30 -10.616 6.652 2.697 192 HG13 VAL 30 3HG1 VAL 30 -10.940 8.005 1.612 193 HG21 VAL 30 3HG2 VAL 30 -9.194 4.996 -0.010 194 HG22 VAL 30 1HG2 VAL 30 -9.068 6.742 -0.229 195 HG23 VAL 30 2HG2 VAL 30 -8.895 6.040 1.380 196 H LEU 31 H LEU 31 -10.587 2.409 0.401 197 HA LEU 31 HA LEU 31 -9.914 1.675 3.053 198 HB2 LEU 31 1HB LEU 31 -9.040 0.569 0.391 199 HB3 LEU 31 2HB LEU 31 -8.638 -0.168 1.941 200 HG LEU 31 HG LEU 31 -11.501 0.287 1.199 201 HD11 LEU 31 1HD1 LEU 31 -10.508 -2.376 0.586 202 HD12 LEU 31 2HD1 LEU 31 -9.827 -1.132 -0.461 203 HD13 LEU 31 3HD1 LEU 31 -11.576 -1.321 -0.341 204 HD21 LEU 31 3HD2 LEU 31 -10.593 -2.144 2.578 205 HD22 LEU 31 1HD2 LEU 31 -11.946 -1.071 2.934 206 HD23 LEU 31 2HD2 LEU 31 -10.317 -0.638 3.454 207 H GLN 32 H GLN 32 -8.470 2.859 4.153 208 HA GLN 32 HA GLN 32 -5.962 3.611 2.821 209 HB2 GLN 32 1HB GLN 32 -7.263 5.447 3.836 210 HB3 GLN 32 2HB GLN 32 -7.149 4.650 5.400 211 HG2 GLN 32 1HG GLN 32 -4.752 4.930 5.413 212 HG3 GLN 32 2HG GLN 32 -4.800 5.627 3.794 213 HE21 GLN 32 1HE2 GLN 32 -3.876 7.552 4.444 214 HE22 GLN 32 2HE2 GLN 32 -4.722 8.714 5.401 215 H CYS 33 H CYS 33 -4.057 2.786 3.452 216 HA CYS 33 HA CYS 33 -3.863 1.393 6.013 217 HB2 CYS 33 1HB CYS 33 -2.773 -0.558 4.918 218 HB3 CYS 33 2HB CYS 33 -4.469 -0.380 4.486 219 HG CYS 33 HG CYS 33 -3.591 1.074 2.052 220 H SER 34 H SER 34 -1.426 0.424 6.033 221 HA SER 34 HA SER 34 0.357 2.566 5.087 222 HB2 SER 34 1HB SER 34 -0.300 2.616 7.607 223 HB3 SER 34 2HB SER 34 0.795 1.241 7.750 224 HG SER 34 HG SER 34 1.584 3.648 6.499 225 H VAL 35 H VAL 35 1.806 1.729 3.755 226 HA VAL 35 HA VAL 35 2.839 -0.976 4.313 227 HB VAL 35 HB VAL 35 1.518 -1.117 2.321 228 HG11 VAL 35 1HG1 VAL 35 3.155 1.117 1.135 229 HG12 VAL 35 2HG1 VAL 35 1.748 0.318 0.429 230 HG13 VAL 35 3HG1 VAL 35 1.560 1.343 1.852 231 HG21 VAL 35 3HG2 VAL 35 4.318 -1.587 2.362 232 HG22 VAL 35 1HG2 VAL 35 3.071 -2.450 1.462 233 HG23 VAL 35 2HG2 VAL 35 3.876 -1.057 0.739 234 H ARG 36 H ARG 36 4.910 -0.975 4.853 235 HA ARG 36 HA ARG 36 6.594 1.285 4.043 236 HB2 ARG 36 1HB ARG 36 7.120 -0.839 6.130 237 HB3 ARG 36 2HB ARG 36 8.103 0.587 5.828 238 HG2 ARG 36 1HG ARG 36 6.023 1.943 6.388 239 HG3 ARG 36 2HG ARG 36 5.353 0.435 7.014 240 HD2 ARG 36 1HD ARG 36 8.065 1.300 7.902 241 HD3 ARG 36 2HD ARG 36 6.647 2.095 8.585 242 HE ARG 36 HE ARG 36 6.126 0.152 9.716 243 HH11 ARG 36 2HH1 ARG 36 8.706 -0.431 7.453 244 HH12 ARG 36 1HH1 ARG 36 9.089 -1.995 8.092 245 HH21 ARG 36 2HH2 ARG 36 6.620 -1.906 10.566 246 HH22 ARG 36 1HH2 ARG 36 7.901 -2.834 9.862 247 H GLY 37 H GLY 37 8.821 0.853 3.389 248 HA2 GLY 37 1HA GLY 37 10.115 -1.412 2.799 249 HA3 GLY 37 2HA GLY 37 8.908 -1.375 1.523 250 H THR 38 H THR 38 11.504 -1.380 0.798 251 HA THR 38 HA THR 38 11.724 1.084 -0.651 252 HB THR 38 HB THR 38 13.813 0.457 1.443 253 HG1 THR 38 HG1 THR 38 13.035 2.189 2.457 254 HG21 THR 38 3HG2 THR 38 14.145 2.937 -0.029 255 HG22 THR 38 1HG2 THR 38 14.252 1.525 -1.080 256 HG23 THR 38 2HG2 THR 38 15.319 1.667 0.317 257 HA PRO 39 HA PRO 39 12.526 1.874 -2.306 258 HB2 PRO 39 1HB PRO 39 11.822 1.402 -4.885 259 HB3 PRO 39 2HB PRO 39 13.479 1.775 -4.395 260 HG2 PRO 39 1HG PRO 39 12.229 -0.881 -4.983 261 HG3 PRO 39 2HG PRO 39 13.820 -0.263 -5.462 262 HD2 PRO 39 1HD PRO 39 13.485 -1.963 -3.382 263 HD3 PRO 39 2HD PRO 39 14.759 -0.728 -3.409 264 H VAL 40 H VAL 40 10.401 2.629 -3.301 265 HA VAL 40 HA VAL 40 8.243 1.636 -1.910 266 HB VAL 40 HB VAL 40 8.222 3.108 -4.547 267 HG11 VAL 40 1HG1 VAL 40 5.904 3.543 -2.907 268 HG12 VAL 40 2HG1 VAL 40 6.003 2.996 -4.582 269 HG13 VAL 40 3HG1 VAL 40 6.087 1.826 -3.263 270 HG21 VAL 40 3HG2 VAL 40 8.229 3.974 -1.676 271 HG22 VAL 40 1HG2 VAL 40 9.270 4.502 -2.998 272 HG23 VAL 40 2HG2 VAL 40 7.583 5.015 -2.944 273 HA PRO 41 HA PRO 41 7.461 -2.193 -4.048 274 HB2 PRO 41 1HB PRO 41 5.280 -2.885 -2.586 275 HB3 PRO 41 2HB PRO 41 6.934 -3.056 -1.985 276 HG2 PRO 41 1HG PRO 41 4.936 -0.893 -1.445 277 HG3 PRO 41 2HG PRO 41 6.033 -1.710 -0.316 278 HD2 PRO 41 1HD PRO 41 6.555 0.743 -1.336 279 HD3 PRO 41 2HD PRO 41 7.837 -0.418 -0.937 280 H ARG 42 H ARG 42 5.891 -3.036 -5.469 281 HA ARG 42 HA ARG 42 4.370 -1.082 -6.866 282 HB2 ARG 42 1HB ARG 42 4.818 -4.021 -7.119 283 HB3 ARG 42 2HB ARG 42 3.447 -3.312 -7.964 284 HG2 ARG 42 1HG ARG 42 5.270 -3.388 -9.482 285 HG3 ARG 42 2HG ARG 42 5.034 -1.700 -9.022 286 HD2 ARG 42 1HD ARG 42 6.887 -1.793 -7.503 287 HD3 ARG 42 2HD ARG 42 7.051 -3.532 -7.737 288 HE ARG 42 HE ARG 42 7.322 -2.292 -10.224 289 HH11 ARG 42 2HH1 ARG 42 8.995 -2.493 -7.178 290 HH12 ARG 42 1HH1 ARG 42 10.562 -2.238 -7.873 291 HH21 ARG 42 2HH2 ARG 42 9.378 -1.956 -11.151 292 HH22 ARG 42 1HH2 ARG 42 10.778 -1.932 -10.133 293 H ILE 43 H ILE 43 2.421 -0.345 -6.377 294 HA ILE 43 HA ILE 43 0.758 -1.815 -4.484 295 HB ILE 43 HB ILE 43 0.269 0.928 -5.643 296 HG12 ILE 43 1HG1 ILE 43 2.375 1.000 -4.477 297 HG13 ILE 43 2HG1 ILE 43 1.158 1.745 -3.446 298 HG21 ILE 43 1HG2 ILE 43 -1.232 -0.813 -3.910 299 HG22 ILE 43 2HG2 ILE 43 -0.832 0.695 -3.089 300 HG23 ILE 43 3HG2 ILE 43 -1.696 0.731 -4.625 301 HD11 ILE 43 3HD1 ILE 43 2.221 0.451 -1.918 302 HD12 ILE 43 1HD1 ILE 43 1.005 -0.701 -2.470 303 HD13 ILE 43 2HD1 ILE 43 2.651 -0.788 -3.098 304 H THR 44 H THR 44 -0.521 -3.308 -5.366 305 HA THR 44 HA THR 44 -2.167 -2.523 -7.674 306 HB THR 44 HB THR 44 -0.896 -5.242 -7.301 307 HG1 THR 44 HG1 THR 44 -0.020 -4.421 -9.489 308 HG21 THR 44 3HG2 THR 44 -1.796 -5.419 -9.743 309 HG22 THR 44 1HG2 THR 44 -2.911 -4.154 -9.228 310 HG23 THR 44 2HG2 THR 44 -2.888 -5.706 -8.388 311 H TRP 45 H TRP 45 -4.237 -2.577 -7.129 312 HA TRP 45 HA TRP 45 -5.095 -4.243 -4.887 313 HB2 TRP 45 1HB TRP 45 -6.542 -2.057 -6.400 314 HB3 TRP 45 2HB TRP 45 -7.194 -2.927 -5.014 315 HD1 TRP 45 HD1 TRP 45 -4.264 -0.545 -5.866 316 HE1 TRP 45 HE1 TRP 45 -3.678 0.787 -3.743 317 HE3 TRP 45 HE3 TRP 45 -7.442 -2.826 -2.576 318 HZ2 TRP 45 HZ2 TRP 45 -4.460 0.860 -1.032 319 HZ3 TRP 45 HZ3 TRP 45 -7.461 -2.067 -0.235 320 HH2 TRP 45 HH2 TRP 45 -6.000 -0.262 0.519 321 H LEU 46 H LEU 46 -6.175 -6.083 -5.155 322 HA LEU 46 HA LEU 46 -7.372 -6.625 -7.793 323 HB2 LEU 46 1HB LEU 46 -6.152 -8.584 -5.854 324 HB3 LEU 46 2HB LEU 46 -6.910 -8.998 -7.390 325 HG LEU 46 HG LEU 46 -5.059 -7.381 -8.350 326 HD11 LEU 46 1HD1 LEU 46 -3.024 -7.376 -7.128 327 HD12 LEU 46 2HD1 LEU 46 -3.684 -8.451 -5.896 328 HD13 LEU 46 3HD1 LEU 46 -4.282 -6.798 -6.035 329 HD21 LEU 46 3HD2 LEU 46 -4.953 -10.259 -7.598 330 HD22 LEU 46 1HD2 LEU 46 -3.503 -9.502 -8.258 331 HD23 LEU 46 2HD2 LEU 46 -4.998 -9.507 -9.194 332 H LEU 47 H LEU 47 -9.495 -6.926 -7.811 333 HA LEU 47 HA LEU 47 -10.822 -7.711 -5.299 334 HB2 LEU 47 1HB LEU 47 -11.262 -5.375 -5.953 335 HB3 LEU 47 2HB LEU 47 -11.914 -5.947 -7.487 336 HG LEU 47 HG LEU 47 -13.599 -7.248 -6.013 337 HD11 LEU 47 1HD1 LEU 47 -13.989 -5.598 -3.949 338 HD12 LEU 47 2HD1 LEU 47 -12.231 -5.507 -4.055 339 HD13 LEU 47 3HD1 LEU 47 -13.021 -7.068 -3.834 340 HD21 LEU 47 3HD2 LEU 47 -14.686 -4.758 -5.636 341 HD22 LEU 47 1HD2 LEU 47 -14.779 -5.708 -7.120 342 HD23 LEU 47 2HD2 LEU 47 -13.524 -4.482 -6.935 343 H ASN 48 H ASN 48 -12.506 -9.186 -5.408 344 HA ASN 48 HA ASN 48 -13.567 -11.055 -6.159 345 HB2 ASN 48 1HB ASN 48 -13.669 -9.597 -8.806 346 HB3 ASN 48 2HB ASN 48 -14.765 -10.855 -8.241 347 HD21 ASN 48 1HD2 ASN 48 -15.148 -9.980 -5.627 348 HD22 ASN 48 2HD2 ASN 48 -16.037 -8.499 -5.666 349 H GLY 49 H GLY 49 -10.772 -11.214 -6.197 350 HA2 GLY 49 1HA GLY 49 -9.121 -12.617 -6.960 351 HA3 GLY 49 2HA GLY 49 -10.382 -13.488 -7.820 352 H GLN 50 H GLN 50 -10.134 -10.158 -8.552 353 HA GLN 50 HA GLN 50 -8.393 -10.657 -10.850 354 HB2 GLN 50 1HB GLN 50 -9.920 -9.806 -12.442 355 HB3 GLN 50 2HB GLN 50 -10.832 -10.965 -11.484 356 HG2 GLN 50 1HG GLN 50 -12.050 -9.316 -10.409 357 HG3 GLN 50 2HG GLN 50 -10.869 -8.062 -10.782 358 HE21 GLN 50 1HE2 GLN 50 -11.051 -6.927 -12.636 359 HE22 GLN 50 2HE2 GLN 50 -12.317 -7.148 -13.791 360 HA PRO 51 HA PRO 51 -6.732 -6.731 -9.773 361 HB2 PRO 51 1HB PRO 51 -5.605 -6.055 -12.149 362 HB3 PRO 51 2HB PRO 51 -4.932 -7.296 -11.085 363 HG2 PRO 51 1HG PRO 51 -6.642 -7.615 -13.521 364 HG3 PRO 51 2HG PRO 51 -5.210 -8.538 -13.031 365 HD2 PRO 51 1HD PRO 51 -7.731 -9.457 -12.666 366 HD3 PRO 51 2HD PRO 51 -6.403 -9.844 -11.553 367 H ILE 52 H ILE 52 -7.453 -4.680 -9.697 368 HA ILE 52 HA ILE 52 -9.743 -3.957 -11.306 369 HB ILE 52 HB ILE 52 -8.351 -2.167 -9.328 370 HG12 ILE 52 1HG1 ILE 52 -10.501 -4.205 -8.717 371 HG13 ILE 52 2HG1 ILE 52 -8.801 -4.394 -8.304 372 HG21 ILE 52 1HG2 ILE 52 -10.258 -0.910 -9.329 373 HG22 ILE 52 2HG2 ILE 52 -10.303 -1.521 -10.982 374 HG23 ILE 52 3HG2 ILE 52 -11.293 -2.280 -9.735 375 HD11 ILE 52 3HD1 ILE 52 -10.218 -1.962 -7.362 376 HD12 ILE 52 1HD1 ILE 52 -10.551 -3.499 -6.564 377 HD13 ILE 52 2HD1 ILE 52 -8.903 -2.869 -6.615 378 H GLN 53 H GLN 53 -9.719 -2.750 -13.086 379 HA GLN 53 HA GLN 53 -7.194 -1.654 -14.013 380 HB2 GLN 53 1HB GLN 53 -8.444 -2.894 -15.637 381 HB3 GLN 53 2HB GLN 53 -9.898 -1.958 -15.317 382 HG2 GLN 53 1HG GLN 53 -9.137 -1.075 -17.308 383 HG3 GLN 53 2HG GLN 53 -8.514 0.059 -16.112 384 HE21 GLN 53 1HE2 GLN 53 -7.719 -1.299 -18.873 385 HE22 GLN 53 2HE2 GLN 53 -6.012 -1.485 -18.684 386 H TYR 54 H TYR 54 -10.321 -0.552 -12.891 387 HA TYR 54 HA TYR 54 -9.558 2.234 -13.398 388 HB2 TYR 54 1HB TYR 54 -11.969 2.677 -12.698 389 HB3 TYR 54 2HB TYR 54 -11.740 1.806 -14.211 390 HD1 TYR 54 HD2 TYR 54 -12.117 -0.663 -14.273 391 HD2 TYR 54 HD1 TYR 54 -13.120 1.689 -10.872 392 HE1 TYR 54 HE2 TYR 54 -13.565 -2.475 -13.454 393 HE2 TYR 54 HE1 TYR 54 -14.570 -0.117 -10.043 394 HH TYR 54 HH TYR 54 -15.572 -2.068 -10.582 395 H ALA 55 H ALA 55 -8.223 0.785 -11.348 396 HA ALA 55 HA ALA 55 -9.380 1.683 -8.834 397 HB1 ALA 55 3HB ALA 55 -8.456 -0.335 -8.386 398 HB2 ALA 55 1HB ALA 55 -7.216 -0.167 -9.629 399 HB3 ALA 55 2HB ALA 55 -7.029 0.657 -8.081 400 H ARG 56 H ARG 56 -9.226 3.897 -8.802 401 HA ARG 56 HA ARG 56 -6.802 5.265 -9.506 402 HB2 ARG 56 1HB ARG 56 -9.434 6.115 -8.333 403 HB3 ARG 56 2HB ARG 56 -8.078 7.232 -8.406 404 HG2 ARG 56 1HG ARG 56 -8.048 6.446 -10.935 405 HG3 ARG 56 2HG ARG 56 -9.748 6.124 -10.587 406 HD2 ARG 56 1HD ARG 56 -8.500 8.747 -9.854 407 HD3 ARG 56 2HD ARG 56 -9.067 8.448 -11.496 408 HE ARG 56 HE ARG 56 -10.673 8.967 -9.192 409 HH11 ARG 56 2HH1 ARG 56 -10.595 7.315 -12.256 410 HH12 ARG 56 1HH1 ARG 56 -12.316 7.333 -12.457 411 HH21 ARG 56 2HH2 ARG 56 -12.940 8.997 -9.445 412 HH22 ARG 56 1HH2 ARG 56 -13.649 8.290 -10.858 413 H SER 57 H SER 57 -5.989 3.465 -7.722 414 HA SER 57 HA SER 57 -6.078 4.292 -5.013 415 HB2 SER 57 1HB SER 57 -4.413 2.612 -4.609 416 HB3 SER 57 2HB SER 57 -5.506 1.975 -5.838 417 HG SER 57 HG SER 57 -3.349 1.625 -6.433 418 H THR 58 H THR 58 -4.586 5.399 -3.769 419 HA THR 58 HA THR 58 -2.448 6.805 -5.226 420 HB THR 58 HB THR 58 -2.895 8.786 -3.727 421 HG1 THR 58 HG1 THR 58 -4.349 7.342 -2.354 422 HG21 THR 58 3HG2 THR 58 -4.005 8.092 -6.155 423 HG22 THR 58 1HG2 THR 58 -4.043 9.695 -5.423 424 HG23 THR 58 2HG2 THR 58 -5.401 8.592 -5.202 425 H CYS 59 H CYS 59 -0.576 6.132 -4.419 426 HA CYS 59 HA CYS 59 -0.408 5.503 -1.553 427 HB2 CYS 59 1HB CYS 59 0.235 3.635 -2.921 428 HB3 CYS 59 2HB CYS 59 1.302 4.644 -3.891 429 HG CYS 59 HG CYS 59 3.388 4.015 -2.550 430 H GLU 60 H GLU 60 0.403 7.065 -0.332 431 HA GLU 60 HA GLU 60 2.657 8.639 -1.378 432 HB2 GLU 60 1HB GLU 60 1.739 10.607 -0.134 433 HB3 GLU 60 2HB GLU 60 0.764 10.100 -1.506 434 HG2 GLU 60 1HG GLU 60 -0.954 9.366 -0.197 435 HG3 GLU 60 2HG GLU 60 0.094 9.014 1.176 436 H ALA 61 H ALA 61 4.346 8.869 -0.027 437 HA ALA 61 HA ALA 61 5.726 8.335 1.718 438 HB1 ALA 61 3HB ALA 61 3.359 9.665 2.960 439 HB2 ALA 61 1HB ALA 61 4.655 9.047 3.984 440 HB3 ALA 61 2HB ALA 61 5.005 10.263 2.755 441 H GLY 62 H GLY 62 4.300 6.099 0.769 442 HA2 GLY 62 1HA GLY 62 4.089 3.888 1.395 443 HA3 GLY 62 2HA GLY 62 4.594 4.348 3.014 444 H VAL 63 H VAL 63 1.882 5.864 1.424 445 HA VAL 63 HA VAL 63 0.066 4.419 3.243 446 HB VAL 63 HB VAL 63 -0.129 7.309 2.383 447 HG11 VAL 63 1HG1 VAL 63 -1.846 6.506 4.560 448 HG12 VAL 63 2HG1 VAL 63 -2.253 7.321 3.049 449 HG13 VAL 63 3HG1 VAL 63 -2.172 5.560 3.108 450 HG21 VAL 63 3HG2 VAL 63 0.486 7.921 4.560 451 HG22 VAL 63 1HG2 VAL 63 0.245 6.288 5.181 452 HG23 VAL 63 2HG2 VAL 63 1.617 6.638 4.130 453 H ALA 64 H ALA 64 -0.580 2.919 1.699 454 HA ALA 64 HA ALA 64 -1.534 3.740 -0.886 455 HB1 ALA 64 3HB ALA 64 -1.248 1.165 0.564 456 HB2 ALA 64 1HB ALA 64 -2.407 1.241 -0.765 457 HB3 ALA 64 2HB ALA 64 -0.709 1.624 -1.052 458 H GLU 65 H GLU 65 -3.520 4.384 -1.405 459 HA GLU 65 HA GLU 65 -5.762 3.641 0.338 460 HB2 GLU 65 1HB GLU 65 -5.385 6.421 -0.780 461 HB3 GLU 65 2HB GLU 65 -6.645 5.879 0.320 462 HG2 GLU 65 1HG GLU 65 -4.559 5.272 1.828 463 HG3 GLU 65 2HG GLU 65 -3.807 6.538 0.859 464 H LEU 66 H LEU 66 -7.783 3.515 -0.679 465 HA LEU 66 HA LEU 66 -7.772 3.772 -3.608 466 HB2 LEU 66 1HB LEU 66 -7.445 1.422 -3.016 467 HB3 LEU 66 2HB LEU 66 -8.905 1.465 -2.030 468 HG LEU 66 HG LEU 66 -10.075 2.105 -4.266 469 HD11 LEU 66 1HD1 LEU 66 -7.382 1.211 -5.135 470 HD12 LEU 66 2HD1 LEU 66 -8.468 2.402 -5.850 471 HD13 LEU 66 3HD1 LEU 66 -8.776 0.681 -6.078 472 HD21 LEU 66 3HD2 LEU 66 -10.521 0.062 -3.052 473 HD22 LEU 66 1HD2 LEU 66 -9.047 -0.670 -3.685 474 HD23 LEU 66 2HD2 LEU 66 -10.380 -0.289 -4.775 475 H HIS 67 H HIS 67 -9.059 5.539 -3.759 476 HA HIS 67 HA HIS 67 -11.394 5.903 -2.141 477 HB2 HIS 67 1HB HIS 67 -10.503 7.354 -4.643 478 HB3 HIS 67 2HB HIS 67 -11.802 7.872 -3.573 479 HD1 HIS 67 HD1 HIS 67 -11.133 9.495 -1.833 480 HD2 HIS 67 HD2 HIS 67 -7.907 7.243 -3.169 481 HE1 HIS 67 HE1 HIS 67 -9.122 10.437 -0.654 482 HE2 HIS 67 HE2 HIS 67 -7.171 9.114 -1.542 483 H ILE 68 H ILE 68 -13.223 4.825 -2.414 484 HA ILE 68 HA ILE 68 -14.072 4.169 -5.159 485 HB ILE 68 HB ILE 68 -14.524 2.472 -2.702 486 HG12 ILE 68 1HG1 ILE 68 -12.201 2.370 -3.473 487 HG13 ILE 68 2HG1 ILE 68 -13.032 0.854 -3.803 488 HG21 ILE 68 1HG2 ILE 68 -16.262 1.689 -3.859 489 HG22 ILE 68 2HG2 ILE 68 -15.772 2.542 -5.321 490 HG23 ILE 68 3HG2 ILE 68 -15.079 0.965 -4.947 491 HD11 ILE 68 3HD1 ILE 68 -13.307 1.501 -6.130 492 HD12 ILE 68 1HD1 ILE 68 -12.504 3.037 -5.805 493 HD13 ILE 68 2HD1 ILE 68 -11.609 1.524 -5.657 494 H GLN 69 H GLN 69 -15.601 5.680 -5.518 495 HA GLN 69 HA GLN 69 -17.505 6.385 -3.446 496 HB2 GLN 69 1HB GLN 69 -18.312 8.055 -5.005 497 HB3 GLN 69 2HB GLN 69 -16.556 8.120 -4.930 498 HG2 GLN 69 1HG GLN 69 -16.296 7.264 -7.051 499 HG3 GLN 69 2HG GLN 69 -17.884 6.497 -7.049 500 HE21 GLN 69 1HE2 GLN 69 -16.520 8.408 -8.909 501 HE22 GLN 69 2HE2 GLN 69 -17.650 9.698 -9.114 502 H ASP 70 H ASP 70 -19.856 6.486 -4.037 503 HA ASP 70 HA ASP 70 -21.779 5.326 -4.431 504 HB2 ASP 70 1HB ASP 70 -20.949 6.101 -6.777 505 HB3 ASP 70 2HB ASP 70 -20.592 4.394 -7.026 506 H ALA 71 H ALA 71 -20.295 3.912 -2.755 507 HA ALA 71 HA ALA 71 -19.423 1.375 -3.487 508 HB1 ALA 71 3HB ALA 71 -18.994 2.377 -1.295 509 HB2 ALA 71 1HB ALA 71 -20.698 2.190 -0.878 510 HB3 ALA 71 2HB ALA 71 -19.694 0.765 -1.145 511 H LEU 72 H LEU 72 -20.764 0.335 -4.930 512 HA LEU 72 HA LEU 72 -23.560 -0.074 -4.308 513 HB2 LEU 72 1HB LEU 72 -21.770 -0.859 -6.579 514 HB3 LEU 72 2HB LEU 72 -23.380 -1.556 -6.411 515 HG LEU 72 HG LEU 72 -22.939 1.414 -6.540 516 HD11 LEU 72 1HD1 LEU 72 -22.230 1.149 -8.637 517 HD12 LEU 72 2HD1 LEU 72 -23.887 0.674 -9.007 518 HD13 LEU 72 3HD1 LEU 72 -22.673 -0.558 -8.666 519 HD21 LEU 72 3HD2 LEU 72 -25.348 -0.068 -7.489 520 HD22 LEU 72 1HD2 LEU 72 -25.210 1.573 -6.858 521 HD23 LEU 72 2HD2 LEU 72 -25.118 0.195 -5.760 522 HA PRO 73 HA PRO 73 -23.268 -3.973 -2.315 523 HB2 PRO 73 1HB PRO 73 -25.471 -5.244 -3.267 524 HB3 PRO 73 2HB PRO 73 -25.556 -3.914 -2.106 525 HG2 PRO 73 1HG PRO 73 -25.958 -3.867 -5.072 526 HG3 PRO 73 2HG PRO 73 -26.894 -3.056 -3.803 527 HD2 PRO 73 1HD PRO 73 -25.031 -1.768 -5.286 528 HD3 PRO 73 2HD PRO 73 -25.367 -1.342 -3.596 529 H GLU 74 H GLU 74 -22.954 -3.686 -5.669 530 HA GLU 74 HA GLU 74 -22.442 -6.544 -6.053 531 HB2 GLU 74 1HB GLU 74 -22.408 -6.062 -8.431 532 HB3 GLU 74 2HB GLU 74 -23.863 -5.390 -7.709 533 HG2 GLU 74 1HG GLU 74 -23.117 -3.207 -7.919 534 HG3 GLU 74 2HG GLU 74 -21.430 -3.695 -8.076 535 H ASP 75 H ASP 75 -20.810 -3.696 -5.334 536 HA ASP 75 HA ASP 75 -18.335 -4.388 -6.672 537 HB2 ASP 75 1HB ASP 75 -19.133 -2.012 -6.291 538 HB3 ASP 75 2HB ASP 75 -18.752 -2.244 -4.587 539 H HIS 76 H HIS 76 -19.734 -4.586 -3.464 540 HA HIS 76 HA HIS 76 -17.575 -5.024 -1.853 541 HB2 HIS 76 1HB HIS 76 -19.031 -5.949 -0.328 542 HB3 HIS 76 2HB HIS 76 -20.176 -5.153 -1.403 543 HD1 HIS 76 HD1 HIS 76 -20.716 -7.039 -3.571 544 HD2 HIS 76 HD2 HIS 76 -20.021 -8.371 0.302 545 HE1 HIS 76 HE1 HIS 76 -21.749 -9.329 -3.452 546 HE2 HIS 76 HE2 HIS 76 -21.390 -10.079 -1.075 547 H GLY 77 H GLY 77 -16.160 -6.657 -1.417 548 HA2 GLY 77 1HA GLY 77 -16.460 -9.328 -2.304 549 HA3 GLY 77 2HA GLY 77 -15.446 -8.442 -3.433 550 H THR 78 H THR 78 -13.429 -9.114 -3.078 551 HA THR 78 HA THR 78 -12.390 -8.911 -0.333 552 HB THR 78 HB THR 78 -11.707 -11.117 -2.287 553 HG1 THR 78 HG1 THR 78 -13.480 -10.917 -0.136 554 HG21 THR 78 3HG2 THR 78 -10.877 -10.997 0.592 555 HG22 THR 78 1HG2 THR 78 -9.913 -10.207 -0.655 556 HG23 THR 78 2HG2 THR 78 -10.191 -11.948 -0.725 557 H TYR 79 H TYR 79 -11.290 -7.021 -0.628 558 HA TYR 79 HA TYR 79 -9.679 -6.527 -2.949 559 HB2 TYR 79 1HB TYR 79 -9.991 -5.076 -0.321 560 HB3 TYR 79 2HB TYR 79 -8.904 -4.528 -1.592 561 HD1 TYR 79 HD2 TYR 79 -12.408 -4.941 -0.601 562 HD2 TYR 79 HD1 TYR 79 -9.769 -3.563 -3.640 563 HE1 TYR 79 HE2 TYR 79 -14.273 -3.747 -1.671 564 HE2 TYR 79 HE1 TYR 79 -11.626 -2.363 -4.718 565 HH TYR 79 HH TYR 79 -13.759 -1.732 -4.542 566 H THR 80 H THR 80 -7.447 -6.492 -3.110 567 HA THR 80 HA THR 80 -5.890 -7.521 -0.853 568 HB THR 80 HB THR 80 -5.626 -8.686 -3.628 569 HG1 THR 80 HG1 THR 80 -7.566 -9.415 -2.745 570 HG21 THR 80 3HG2 THR 80 -3.853 -9.838 -2.864 571 HG22 THR 80 1HG2 THR 80 -4.614 -10.159 -1.306 572 HG23 THR 80 2HG2 THR 80 -3.801 -8.620 -1.590 573 H CYS 81 H CYS 81 -4.378 -6.036 -0.516 574 HA CYS 81 HA CYS 81 -3.356 -4.458 -2.745 575 HB2 CYS 81 1HB CYS 81 -4.070 -3.344 -0.634 576 HB3 CYS 81 2HB CYS 81 -2.777 -4.188 0.211 577 HG CYS 81 HG CYS 81 -2.078 -2.153 -2.431 578 H LEU 82 H LEU 82 -1.914 -5.698 -3.851 579 HA LEU 82 HA LEU 82 0.083 -7.262 -2.467 580 HB2 LEU 82 1HB LEU 82 -0.693 -8.263 -4.430 581 HB3 LEU 82 2HB LEU 82 -0.585 -6.761 -5.345 582 HG LEU 82 HG LEU 82 1.823 -6.933 -5.421 583 HD11 LEU 82 1HD1 LEU 82 2.062 -9.619 -4.341 584 HD12 LEU 82 2HD1 LEU 82 1.570 -8.438 -3.128 585 HD13 LEU 82 3HD1 LEU 82 3.051 -8.187 -4.051 586 HD21 LEU 82 3HD2 LEU 82 0.030 -8.913 -6.513 587 HD22 LEU 82 1HD2 LEU 82 1.653 -9.570 -6.297 588 HD23 LEU 82 2HD2 LEU 82 1.414 -8.112 -7.260 589 H ALA 83 H ALA 83 2.208 -6.787 -2.211 590 HA ALA 83 HA ALA 83 3.303 -4.394 -3.484 591 HB1 ALA 83 3HB ALA 83 4.271 -4.242 -0.876 592 HB2 ALA 83 1HB ALA 83 3.103 -3.166 -1.644 593 HB3 ALA 83 2HB ALA 83 2.543 -4.551 -0.706 594 H GLU 84 H GLU 84 5.039 -5.144 -4.507 595 HA GLU 84 HA GLU 84 6.959 -6.764 -2.998 596 HB2 GLU 84 1HB GLU 84 7.253 -8.344 -4.744 597 HB3 GLU 84 2HB GLU 84 5.519 -8.222 -4.478 598 HG2 GLU 84 1HG GLU 84 5.257 -6.850 -6.425 599 HG3 GLU 84 2HG GLU 84 7.003 -6.764 -6.650 600 H ASN 85 H ASN 85 9.076 -6.309 -3.402 601 HA ASN 85 HA ASN 85 9.655 -4.366 -5.535 602 HB2 ASN 85 1HB ASN 85 11.206 -3.203 -4.045 603 HB3 ASN 85 2HB ASN 85 9.584 -3.213 -3.357 604 HD21 ASN 85 1HD2 ASN 85 11.023 -2.677 -1.457 605 HD22 ASN 85 2HD2 ASN 85 11.563 -4.011 -0.501 606 H ALA 86 H ALA 86 12.324 -4.142 -5.354 607 HA ALA 86 HA ALA 86 13.243 -6.598 -6.459 608 HB1 ALA 86 3HB ALA 86 15.299 -5.485 -6.854 609 HB2 ALA 86 1HB ALA 86 14.023 -4.293 -7.105 610 HB3 ALA 86 2HB ALA 86 14.963 -4.278 -5.612 611 H LEU 87 H LEU 87 12.647 -5.899 -3.350 612 HA LEU 87 HA LEU 87 14.941 -7.445 -2.341 613 HB2 LEU 87 1HB LEU 87 13.295 -5.258 -1.180 614 HB3 LEU 87 2HB LEU 87 13.941 -6.482 -0.088 615 HG LEU 87 HG LEU 87 16.200 -5.861 -1.339 616 HD11 LEU 87 1HD1 LEU 87 14.574 -3.328 -1.506 617 HD12 LEU 87 2HD1 LEU 87 15.159 -4.276 -2.873 618 HD13 LEU 87 3HD1 LEU 87 16.307 -3.469 -1.804 619 HD21 LEU 87 3HD2 LEU 87 16.801 -4.684 0.561 620 HD22 LEU 87 1HD2 LEU 87 15.432 -5.642 1.126 621 HD23 LEU 87 2HD2 LEU 87 15.211 -3.937 0.728 622 H GLY 88 H GLY 88 11.690 -6.829 -1.034 623 HA2 GLY 88 1HA GLY 88 11.313 -9.758 -0.897 624 HA3 GLY 88 2HA GLY 88 10.822 -8.677 0.399 625 H GLN 89 H GLN 89 8.788 -9.991 -0.106 626 HA GLN 89 HA GLN 89 7.058 -8.297 -1.699 627 HB2 GLN 89 1HB GLN 89 6.141 -10.095 -3.039 628 HB3 GLN 89 2HB GLN 89 7.875 -9.981 -3.313 629 HG2 GLN 89 1HG GLN 89 8.290 -11.901 -1.968 630 HG3 GLN 89 2HG GLN 89 6.617 -11.943 -1.414 631 HE21 GLN 89 1HE2 GLN 89 5.178 -11.669 -3.652 632 HE22 GLN 89 2HE2 GLN 89 5.479 -12.973 -4.745 633 H VAL 90 H VAL 90 5.081 -8.120 -0.817 634 HA VAL 90 HA VAL 90 4.144 -10.190 1.031 635 HB VAL 90 HB VAL 90 3.471 -8.504 2.694 636 HG11 VAL 90 1HG1 VAL 90 5.513 -8.421 3.769 637 HG12 VAL 90 2HG1 VAL 90 5.770 -9.724 2.608 638 HG13 VAL 90 3HG1 VAL 90 6.404 -8.111 2.280 639 HG21 VAL 90 3HG2 VAL 90 4.940 -6.621 0.860 640 HG22 VAL 90 1HG2 VAL 90 3.260 -6.532 1.388 641 HG23 VAL 90 2HG2 VAL 90 4.563 -6.239 2.540 642 H SER 91 H SER 91 1.847 -9.965 1.571 643 HA SER 91 HA SER 91 0.274 -8.249 -0.178 644 HB2 SER 91 1HB SER 91 -1.086 -10.162 -0.997 645 HB3 SER 91 2HB SER 91 0.585 -10.232 -1.555 646 HG SER 91 HG SER 91 0.999 -11.852 -0.137 647 H CYS 92 H CYS 92 -1.442 -7.480 0.868 648 HA CYS 92 HA CYS 92 -2.360 -8.916 3.272 649 HB2 CYS 92 1HB CYS 92 -1.469 -6.970 4.160 650 HB3 CYS 92 2HB CYS 92 -1.905 -6.005 2.755 651 HG CYS 92 HG CYS 92 -4.683 -6.066 3.418 652 H SER 93 H SER 93 -4.484 -9.355 3.467 653 HA SER 93 HA SER 93 -6.268 -8.329 1.355 654 HB2 SER 93 1HB SER 93 -7.555 -10.446 1.642 655 HB3 SER 93 2HB SER 93 -5.908 -10.711 1.073 656 HG SER 93 HG SER 93 -5.415 -11.025 3.398 657 H ALA 94 H ALA 94 -8.558 -8.171 1.956 658 HA ALA 94 HA ALA 94 -9.175 -8.021 4.786 659 HB1 ALA 94 3HB ALA 94 -10.117 -5.608 4.252 660 HB2 ALA 94 1HB ALA 94 -8.457 -5.857 4.795 661 HB3 ALA 94 2HB ALA 94 -8.798 -5.619 3.081 662 H TRP 95 H TRP 95 -11.436 -7.791 5.214 663 HA TRP 95 HA TRP 95 -13.098 -8.574 2.916 664 HB2 TRP 95 1HB TRP 95 -13.018 -10.272 4.650 665 HB3 TRP 95 2HB TRP 95 -13.479 -9.090 5.872 666 HD1 TRP 95 HD1 TRP 95 -16.032 -7.879 5.228 667 HE1 TRP 95 HE1 TRP 95 -18.174 -9.146 4.572 668 HE3 TRP 95 HE3 TRP 95 -13.932 -12.279 3.689 669 HZ2 TRP 95 HZ2 TRP 95 -18.880 -11.677 3.540 670 HZ3 TRP 95 HZ3 TRP 95 -15.411 -14.072 2.882 671 HH2 TRP 95 HH2 TRP 95 -17.833 -13.776 2.810 672 H VAL 96 H VAL 96 -14.104 -6.841 2.113 673 HA VAL 96 HA VAL 96 -15.149 -4.812 3.961 674 HB VAL 96 HB VAL 96 -14.789 -4.687 0.963 675 HG11 VAL 96 1HG1 VAL 96 -15.642 -2.546 2.910 676 HG12 VAL 96 2HG1 VAL 96 -15.334 -2.315 1.188 677 HG13 VAL 96 3HG1 VAL 96 -16.675 -3.332 1.716 678 HG21 VAL 96 3HG2 VAL 96 -13.290 -3.050 2.973 679 HG22 VAL 96 1HG2 VAL 96 -12.746 -4.674 2.551 680 HG23 VAL 96 2HG2 VAL 96 -12.865 -3.432 1.304 681 H THR 97 H THR 97 -17.289 -4.344 4.107 682 HA THR 97 HA THR 97 -19.129 -5.935 2.441 683 HB THR 97 HB THR 97 -19.492 -5.220 5.358 684 HG1 THR 97 HG1 THR 97 -18.124 -6.936 5.296 685 HG21 THR 97 3HG2 THR 97 -21.353 -7.120 4.776 686 HG22 THR 97 1HG2 THR 97 -21.328 -6.189 3.279 687 HG23 THR 97 2HG2 THR 97 -21.672 -5.386 4.811 688 H VAL 98 H VAL 98 -20.786 -4.877 1.503 689 HA VAL 98 HA VAL 98 -21.100 -2.019 2.153 690 HB VAL 98 HB VAL 98 -21.757 -3.326 -0.487 691 HG11 VAL 98 1HG1 VAL 98 -22.243 -0.730 0.650 692 HG12 VAL 98 2HG1 VAL 98 -21.222 -0.595 -0.783 693 HG13 VAL 98 3HG1 VAL 98 -22.789 -1.399 -0.887 694 HG21 VAL 98 3HG2 VAL 98 -19.348 -3.480 -0.018 695 HG22 VAL 98 1HG2 VAL 98 -19.695 -2.376 -1.349 696 HG23 VAL 98 2HG2 VAL 98 -19.298 -1.738 0.246 697 H HIS 99 H HIS 99 -22.911 -1.613 3.223 698 HA HIS 99 HA HIS 99 -25.096 -3.438 3.331 699 HB2 HIS 99 1HB HIS 99 -24.951 -0.562 4.260 700 HB3 HIS 99 2HB HIS 99 -26.188 -1.730 4.713 701 HD1 HIS 99 HD1 HIS 99 -24.952 -4.038 5.828 702 HD2 HIS 99 HD2 HIS 99 -23.079 -0.346 6.181 703 HE1 HIS 99 HE1 HIS 99 -23.354 -4.277 7.755 704 HE2 HIS 99 HE2 HIS 99 -22.294 -2.005 8.004 Start of MODEL 20 1 H1 GLY 1 H GLY 1 31.663 14.700 -4.754 2 HA2 GLY 1 1HA GLY 1 30.547 16.123 -2.415 3 HA3 GLY 1 2HA GLY 1 29.557 15.203 -3.540 4 H SER 2 H SER 2 28.858 14.171 -1.492 5 HA SER 2 HA SER 2 30.739 12.412 -0.188 6 HB2 SER 2 1HB SER 2 28.970 13.451 1.134 7 HB3 SER 2 2HB SER 2 27.740 12.697 0.120 8 HG SER 2 HG SER 2 29.628 11.039 1.334 9 H SER 3 H SER 3 31.164 10.371 -0.709 10 HA SER 3 HA SER 3 29.324 8.988 -2.550 11 HB2 SER 3 1HB SER 3 31.298 9.485 -3.799 12 HB3 SER 3 2HB SER 3 32.344 8.970 -2.476 13 HG SER 3 HG SER 3 31.336 7.507 -4.469 14 H GLY 4 H GLY 4 28.214 7.827 -1.010 15 HA2 GLY 4 1HA GLY 4 28.443 5.423 -0.260 16 HA3 GLY 4 2HA GLY 4 29.828 5.999 0.656 17 H SER 5 H SER 5 29.313 5.949 2.740 18 HA SER 5 HA SER 5 28.054 6.029 4.657 19 HB2 SER 5 1HB SER 5 27.327 8.689 3.406 20 HB3 SER 5 2HB SER 5 27.154 8.280 5.113 21 HG SER 5 HG SER 5 29.552 8.480 3.614 22 H SER 6 H SER 6 26.734 4.608 2.599 23 HA SER 6 HA SER 6 23.924 5.408 2.927 24 HB2 SER 6 1HB SER 6 24.636 5.132 0.605 25 HB3 SER 6 2HB SER 6 25.189 3.494 0.950 26 HG SER 6 HG SER 6 23.202 2.804 0.834 27 H GLY 7 H GLY 7 22.339 3.774 3.411 28 HA2 GLY 7 1HA GLY 7 23.373 1.833 5.329 29 HA3 GLY 7 2HA GLY 7 21.693 2.310 5.132 30 H MET 8 H MET 8 20.512 0.612 4.572 31 HA MET 8 HA MET 8 21.364 -1.005 2.298 32 HB2 MET 8 1HB MET 8 20.670 -3.091 3.557 33 HB3 MET 8 2HB MET 8 22.187 -2.358 4.062 34 HG2 MET 8 1HG MET 8 21.215 -1.463 6.018 35 HG3 MET 8 2HG MET 8 19.584 -1.818 5.453 36 HE1 MET 8 3HE MET 8 18.485 -4.592 5.837 37 HE2 MET 8 1HE MET 8 18.827 -4.581 7.568 38 HE3 MET 8 2HE MET 8 18.431 -3.076 6.738 39 H GLU 9 H GLU 9 19.680 -1.891 1.118 40 HA GLU 9 HA GLU 9 17.263 -0.551 1.055 41 HB2 GLU 9 1HB GLU 9 17.999 -3.296 0.042 42 HB3 GLU 9 2HB GLU 9 16.449 -2.538 -0.293 43 HG2 GLU 9 1HG GLU 9 17.576 -1.934 -2.165 44 HG3 GLU 9 2HG GLU 9 17.983 -0.566 -1.130 45 H VAL 10 H VAL 10 15.092 -1.957 1.111 46 HA VAL 10 HA VAL 10 14.973 -3.518 3.584 47 HB VAL 10 HB VAL 10 13.486 -0.963 3.069 48 HG11 VAL 10 1HG1 VAL 10 11.725 -2.529 3.484 49 HG12 VAL 10 2HG1 VAL 10 12.605 -3.238 4.839 50 HG13 VAL 10 3HG1 VAL 10 11.980 -1.593 4.956 51 HG21 VAL 10 3HG2 VAL 10 14.405 -1.812 5.751 52 HG22 VAL 10 1HG2 VAL 10 15.653 -1.438 4.562 53 HG23 VAL 10 2HG2 VAL 10 14.447 -0.223 4.987 54 H ALA 11 H ALA 11 13.116 -4.855 3.766 55 HA ALA 11 HA ALA 11 12.021 -5.616 1.180 56 HB1 ALA 11 3HB ALA 11 12.099 -7.674 2.003 57 HB2 ALA 11 1HB ALA 11 12.775 -7.020 3.495 58 HB3 ALA 11 2HB ALA 11 11.030 -7.223 3.331 59 HA PRO 12 HA PRO 12 7.998 -3.944 1.705 60 HB2 PRO 12 1HB PRO 12 6.419 -5.904 0.687 61 HB3 PRO 12 2HB PRO 12 7.451 -4.881 -0.320 62 HG2 PRO 12 1HG PRO 12 7.939 -7.658 0.684 63 HG3 PRO 12 2HG PRO 12 8.247 -6.980 -0.925 64 HD2 PRO 12 1HD PRO 12 10.205 -7.307 0.916 65 HD3 PRO 12 2HD PRO 12 10.218 -5.983 -0.267 66 H SER 13 H SER 13 6.629 -3.739 3.366 67 HA SER 13 HA SER 13 5.538 -6.025 4.738 68 HB2 SER 13 1HB SER 13 6.391 -5.382 6.968 69 HB3 SER 13 2HB SER 13 7.697 -5.843 5.876 70 HG SER 13 HG SER 13 8.246 -3.720 5.638 71 H PHE 14 H PHE 14 3.645 -5.559 5.768 72 HA PHE 14 HA PHE 14 2.626 -2.848 5.395 73 HB2 PHE 14 1HB PHE 14 1.286 -5.485 5.990 74 HB3 PHE 14 2HB PHE 14 0.420 -3.953 6.035 75 HD1 PHE 14 HD2 PHE 14 0.540 -2.502 3.899 76 HD2 PHE 14 HD1 PHE 14 1.460 -6.656 4.008 77 HE1 PHE 14 HE2 PHE 14 0.161 -2.646 1.472 78 HE2 PHE 14 HE1 PHE 14 1.083 -6.807 1.581 79 HZ PHE 14 HZ PHE 14 0.432 -4.800 0.310 80 H SER 15 H SER 15 2.922 -1.485 7.026 81 HA SER 15 HA SER 15 3.399 -2.327 9.705 82 HB2 SER 15 1HB SER 15 2.848 0.405 8.527 83 HB3 SER 15 2HB SER 15 3.289 0.130 10.213 84 HG SER 15 HG SER 15 4.845 0.023 7.931 85 H SER 16 H SER 16 0.626 -0.943 8.010 86 HA SER 16 HA SER 16 -1.057 -1.716 10.294 87 HB2 SER 16 1HB SER 16 -0.924 0.919 8.882 88 HB3 SER 16 2HB SER 16 -2.479 0.363 9.500 89 HG SER 16 HG SER 16 -1.805 0.651 11.488 90 H VAL 17 H VAL 17 -1.327 -3.639 8.922 91 HA VAL 17 HA VAL 17 -2.335 -3.763 6.381 92 HB VAL 17 HB VAL 17 -3.358 -5.899 6.961 93 HG11 VAL 17 1HG1 VAL 17 -1.169 -6.563 8.527 94 HG12 VAL 17 2HG1 VAL 17 -1.245 -6.577 6.764 95 HG13 VAL 17 3HG1 VAL 17 -0.635 -5.155 7.610 96 HG21 VAL 17 3HG2 VAL 17 -2.803 -5.129 9.825 97 HG22 VAL 17 1HG2 VAL 17 -4.394 -5.247 9.073 98 HG23 VAL 17 2HG2 VAL 17 -3.404 -6.693 9.275 99 H LEU 18 H LEU 18 -4.490 -4.088 5.547 100 HA LEU 18 HA LEU 18 -6.296 -2.084 6.323 101 HB2 LEU 18 1HB LEU 18 -6.773 -4.543 4.647 102 HB3 LEU 18 2HB LEU 18 -7.861 -3.161 4.755 103 HG LEU 18 HG LEU 18 -5.055 -2.705 3.859 104 HD11 LEU 18 1HD1 LEU 18 -6.329 -4.714 2.656 105 HD12 LEU 18 2HD1 LEU 18 -5.297 -3.581 1.784 106 HD13 LEU 18 3HD1 LEU 18 -7.047 -3.366 1.774 107 HD21 LEU 18 3HD2 LEU 18 -7.440 -1.495 2.589 108 HD22 LEU 18 1HD2 LEU 18 -5.883 -0.776 3.000 109 HD23 LEU 18 2HD2 LEU 18 -7.094 -1.031 4.256 110 H LYS 19 H LYS 19 -8.580 -2.434 6.958 111 HA LYS 19 HA LYS 19 -8.945 -4.760 8.714 112 HB2 LYS 19 1HB LYS 19 -9.482 -1.876 9.446 113 HB3 LYS 19 2HB LYS 19 -10.000 -3.258 10.403 114 HG2 LYS 19 1HG LYS 19 -7.464 -3.877 10.351 115 HG3 LYS 19 2HG LYS 19 -7.262 -2.162 9.983 116 HD2 LYS 19 1HD LYS 19 -8.053 -1.491 12.036 117 HD3 LYS 19 2HD LYS 19 -9.017 -2.952 12.261 118 HE2 LYS 19 1HE LYS 19 -6.052 -3.200 12.153 119 HE3 LYS 19 2HE LYS 19 -6.789 -2.548 13.616 120 HZ1 LYS 19 3HZ LYS 19 -6.528 -4.916 13.815 121 HZ2 LYS 19 1HZ LYS 19 -7.376 -5.181 12.375 122 HZ3 LYS 19 2HZ LYS 19 -8.178 -4.551 13.725 123 H ASP 20 H ASP 20 -11.208 -5.158 9.286 124 HA ASP 20 HA ASP 20 -12.893 -5.022 7.018 125 HB2 ASP 20 1HB ASP 20 -14.626 -5.972 8.559 126 HB3 ASP 20 2HB ASP 20 -13.113 -6.875 8.535 127 H CYS 21 H CYS 21 -14.082 -3.381 6.331 128 HA CYS 21 HA CYS 21 -15.120 -1.464 8.311 129 HB2 CYS 21 1HB CYS 21 -13.734 -0.960 5.701 130 HB3 CYS 21 2HB CYS 21 -14.924 0.193 6.294 131 HG CYS 21 HG CYS 21 -11.772 -0.211 7.186 132 H ALA 22 H ALA 22 -17.180 -0.666 7.973 133 HA ALA 22 HA ALA 22 -18.730 -2.058 5.889 134 HB1 ALA 22 3HB ALA 22 -19.142 -1.830 8.694 135 HB2 ALA 22 1HB ALA 22 -20.460 -1.002 7.864 136 HB3 ALA 22 2HB ALA 22 -20.112 -2.693 7.502 137 H VAL 23 H VAL 23 -20.014 -0.911 4.525 138 HA VAL 23 HA VAL 23 -20.308 1.974 4.972 139 HB VAL 23 HB VAL 23 -18.373 1.302 3.349 140 HG11 VAL 23 1HG1 VAL 23 -18.863 0.497 1.303 141 HG12 VAL 23 2HG1 VAL 23 -20.321 -0.096 2.100 142 HG13 VAL 23 3HG1 VAL 23 -20.365 1.412 1.187 143 HG21 VAL 23 3HG2 VAL 23 -18.985 3.288 1.889 144 HG22 VAL 23 1HG2 VAL 23 -20.484 3.376 2.814 145 HG23 VAL 23 2HG2 VAL 23 -18.933 3.578 3.628 146 H ILE 24 H ILE 24 -22.051 2.947 3.796 147 HA ILE 24 HA ILE 24 -24.219 1.055 3.294 148 HB ILE 24 HB ILE 24 -24.271 4.060 3.596 149 HG12 ILE 24 1HG1 ILE 24 -25.092 1.812 5.445 150 HG13 ILE 24 2HG1 ILE 24 -23.774 2.951 5.693 151 HG21 ILE 24 1HG2 ILE 24 -26.666 2.254 3.583 152 HG22 ILE 24 2HG2 ILE 24 -26.601 4.007 3.406 153 HG23 ILE 24 3HG2 ILE 24 -26.036 2.967 2.098 154 HD11 ILE 24 3HD1 ILE 24 -26.572 3.942 5.402 155 HD12 ILE 24 1HD1 ILE 24 -26.011 3.287 6.940 156 HD13 ILE 24 2HD1 ILE 24 -25.199 4.681 6.226 157 H GLU 25 H GLU 25 -25.319 0.902 1.378 158 HA GLU 25 HA GLU 25 -24.047 1.172 -1.013 159 HB2 GLU 25 1HB GLU 25 -26.081 -0.094 -0.858 160 HB3 GLU 25 2HB GLU 25 -27.005 1.340 -0.433 161 HG2 GLU 25 1HG GLU 25 -25.567 1.326 -3.028 162 HG3 GLU 25 2HG GLU 25 -27.018 0.339 -2.872 163 H GLY 26 H GLY 26 -23.647 2.735 -2.482 164 HA2 GLY 26 1HA GLY 26 -23.977 4.786 -3.590 165 HA3 GLY 26 2HA GLY 26 -25.031 5.299 -2.280 166 H GLN 27 H GLN 27 -23.281 4.735 -0.124 167 HA GLN 27 HA GLN 27 -21.884 7.124 0.089 168 HB2 GLN 27 1HB GLN 27 -21.533 4.506 1.546 169 HB3 GLN 27 2HB GLN 27 -20.664 5.970 1.986 170 HG2 GLN 27 1HG GLN 27 -23.662 5.790 1.880 171 HG3 GLN 27 2HG GLN 27 -22.713 5.486 3.335 172 HE21 GLN 27 1HE2 GLN 27 -24.588 7.695 2.024 173 HE22 GLN 27 2HE2 GLN 27 -23.847 9.150 2.588 174 H ASP 28 H ASP 28 -19.386 6.968 0.776 175 HA ASP 28 HA ASP 28 -17.935 5.493 -1.307 176 HB2 ASP 28 1HB ASP 28 -16.493 7.552 -1.616 177 HB3 ASP 28 2HB ASP 28 -18.130 7.668 -2.256 178 H PHE 29 H PHE 29 -16.450 4.269 -0.373 179 HA PHE 29 HA PHE 29 -15.260 5.180 2.161 180 HB2 PHE 29 1HB PHE 29 -14.903 2.861 2.735 181 HB3 PHE 29 2HB PHE 29 -16.588 3.072 2.271 182 HD1 PHE 29 HD2 PHE 29 -13.297 1.911 1.026 183 HD2 PHE 29 HD1 PHE 29 -17.526 1.795 0.557 184 HE1 PHE 29 HE2 PHE 29 -13.061 0.106 -0.629 185 HE2 PHE 29 HE1 PHE 29 -17.296 -0.011 -1.098 186 HZ PHE 29 HZ PHE 29 -15.062 -0.857 -1.694 187 H VAL 30 H VAL 30 -13.051 5.118 2.442 188 HA VAL 30 HA VAL 30 -11.455 4.492 0.043 189 HB VAL 30 HB VAL 30 -10.803 6.674 2.023 190 HG11 VAL 30 1HG1 VAL 30 -8.907 5.696 0.791 191 HG12 VAL 30 2HG1 VAL 30 -9.709 6.097 -0.729 192 HG13 VAL 30 3HG1 VAL 30 -9.189 7.383 0.361 193 HG21 VAL 30 3HG2 VAL 30 -11.448 8.181 0.058 194 HG22 VAL 30 1HG2 VAL 30 -12.310 6.777 -0.572 195 HG23 VAL 30 2HG2 VAL 30 -12.758 7.457 0.992 196 H LEU 31 H LEU 31 -10.727 2.500 0.675 197 HA LEU 31 HA LEU 31 -9.875 1.812 3.263 198 HB2 LEU 31 1HB LEU 31 -8.990 0.612 0.643 199 HB3 LEU 31 2HB LEU 31 -8.866 -0.140 2.232 200 HG LEU 31 HG LEU 31 -11.561 0.629 1.214 201 HD11 LEU 31 1HD1 LEU 31 -10.227 -1.954 0.446 202 HD12 LEU 31 2HD1 LEU 31 -10.336 -0.563 -0.633 203 HD13 LEU 31 3HD1 LEU 31 -11.806 -1.351 -0.059 204 HD21 LEU 31 3HD2 LEU 31 -10.498 -0.769 3.424 205 HD22 LEU 31 1HD2 LEU 31 -11.351 -1.945 2.424 206 HD23 LEU 31 2HD2 LEU 31 -12.193 -0.510 3.009 207 H GLN 32 H GLN 32 -8.340 2.968 4.266 208 HA GLN 32 HA GLN 32 -5.886 3.625 2.790 209 HB2 GLN 32 1HB GLN 32 -7.125 5.496 3.871 210 HB3 GLN 32 2HB GLN 32 -6.850 4.733 5.432 211 HG2 GLN 32 1HG GLN 32 -4.334 4.847 4.656 212 HG3 GLN 32 2HG GLN 32 -4.951 6.158 3.652 213 HE21 GLN 32 1HE2 GLN 32 -3.872 7.763 4.737 214 HE22 GLN 32 2HE2 GLN 32 -4.271 8.244 6.347 215 H CYS 33 H CYS 33 -3.982 2.739 3.324 216 HA CYS 33 HA CYS 33 -3.693 1.384 5.898 217 HB2 CYS 33 1HB CYS 33 -2.737 -0.620 4.799 218 HB3 CYS 33 2HB CYS 33 -4.433 -0.379 4.400 219 HG CYS 33 HG CYS 33 -4.102 0.307 1.831 220 H SER 34 H SER 34 -1.450 0.855 6.411 221 HA SER 34 HA SER 34 0.394 2.763 5.140 222 HB2 SER 34 1HB SER 34 -0.206 2.886 7.663 223 HB3 SER 34 2HB SER 34 0.863 1.493 7.826 224 HG SER 34 HG SER 34 2.386 2.934 7.892 225 H VAL 35 H VAL 35 2.316 2.104 4.320 226 HA VAL 35 HA VAL 35 3.266 -0.603 4.806 227 HB VAL 35 HB VAL 35 1.850 -1.034 2.932 228 HG11 VAL 35 1HG1 VAL 35 3.088 1.441 1.770 229 HG12 VAL 35 2HG1 VAL 35 2.278 0.242 0.760 230 HG13 VAL 35 3HG1 VAL 35 1.382 1.077 2.030 231 HG21 VAL 35 3HG2 VAL 35 3.553 -1.597 1.155 232 HG22 VAL 35 1HG2 VAL 35 4.751 -0.794 2.169 233 HG23 VAL 35 2HG2 VAL 35 3.899 -2.216 2.769 234 H ARG 36 H ARG 36 5.441 -0.747 4.743 235 HA ARG 36 HA ARG 36 6.923 1.567 3.677 236 HB2 ARG 36 1HB ARG 36 7.652 -0.111 6.084 237 HB3 ARG 36 2HB ARG 36 8.563 1.259 5.462 238 HG2 ARG 36 1HG ARG 36 6.570 2.692 5.921 239 HG3 ARG 36 2HG ARG 36 5.832 1.302 6.720 240 HD2 ARG 36 1HD ARG 36 7.525 1.250 8.383 241 HD3 ARG 36 2HD ARG 36 8.526 2.395 7.492 242 HE ARG 36 HE ARG 36 6.119 3.665 8.045 243 HH11 ARG 36 2HH1 ARG 36 8.814 2.328 9.796 244 HH12 ARG 36 1HH1 ARG 36 8.657 3.422 11.131 245 HH21 ARG 36 2HH2 ARG 36 5.901 5.110 9.796 246 HH22 ARG 36 1HH2 ARG 36 6.999 5.003 11.130 247 H GLY 37 H GLY 37 9.058 1.134 2.866 248 HA2 GLY 37 1HA GLY 37 10.395 -1.230 2.659 249 HA3 GLY 37 2HA GLY 37 9.169 -1.344 1.405 250 H THR 38 H THR 38 12.131 -1.171 1.257 251 HA THR 38 HA THR 38 12.241 1.048 -0.660 252 HB THR 38 HB THR 38 14.164 0.545 1.594 253 HG1 THR 38 HG1 THR 38 13.348 3.049 0.585 254 HG21 THR 38 3HG2 THR 38 15.551 2.350 0.293 255 HG22 THR 38 1HG2 THR 38 14.741 1.664 -1.115 256 HG23 THR 38 2HG2 THR 38 15.742 0.638 -0.087 257 HA PRO 39 HA PRO 39 12.933 1.640 -2.414 258 HB2 PRO 39 1HB PRO 39 12.103 0.946 -4.904 259 HB3 PRO 39 2HB PRO 39 13.785 1.337 -4.527 260 HG2 PRO 39 1HG PRO 39 12.482 -1.343 -4.810 261 HG3 PRO 39 2HG PRO 39 14.055 -0.794 -5.417 262 HD2 PRO 39 1HD PRO 39 13.801 -2.292 -3.176 263 HD3 PRO 39 2HD PRO 39 15.085 -1.083 -3.375 264 H VAL 40 H VAL 40 10.835 2.484 -2.770 265 HA VAL 40 HA VAL 40 8.748 1.426 -1.402 266 HB VAL 40 HB VAL 40 8.995 3.710 -2.693 267 HG11 VAL 40 1HG1 VAL 40 7.629 3.875 -4.666 268 HG12 VAL 40 2HG1 VAL 40 8.852 2.629 -4.922 269 HG13 VAL 40 3HG1 VAL 40 7.189 2.171 -4.553 270 HG21 VAL 40 3HG2 VAL 40 6.354 2.350 -2.165 271 HG22 VAL 40 1HG2 VAL 40 7.313 3.278 -1.011 272 HG23 VAL 40 2HG2 VAL 40 6.571 4.085 -2.392 273 HA PRO 41 HA PRO 41 7.544 -2.166 -3.712 274 HB2 PRO 41 1HB PRO 41 5.305 -2.721 -2.280 275 HB3 PRO 41 2HB PRO 41 6.934 -3.063 -1.686 276 HG2 PRO 41 1HG PRO 41 5.134 -0.755 -1.058 277 HG3 PRO 41 2HG PRO 41 6.150 -1.712 0.036 278 HD2 PRO 41 1HD PRO 41 6.892 0.725 -0.881 279 HD3 PRO 41 2HD PRO 41 8.064 -0.561 -0.530 280 H ARG 42 H ARG 42 5.630 -2.943 -4.905 281 HA ARG 42 HA ARG 42 4.278 -0.708 -6.192 282 HB2 ARG 42 1HB ARG 42 4.798 -3.563 -6.888 283 HB3 ARG 42 2HB ARG 42 3.420 -2.761 -7.631 284 HG2 ARG 42 1HG ARG 42 5.202 -2.518 -9.142 285 HG3 ARG 42 2HG ARG 42 5.027 -0.950 -8.352 286 HD2 ARG 42 1HD ARG 42 7.306 -1.248 -8.256 287 HD3 ARG 42 2HD ARG 42 6.807 -1.909 -6.700 288 HE ARG 42 HE ARG 42 7.425 -4.008 -7.417 289 HH11 ARG 42 2HH1 ARG 42 7.438 -1.788 -10.099 290 HH12 ARG 42 1HH1 ARG 42 8.234 -2.888 -11.175 291 HH21 ARG 42 2HH2 ARG 42 8.474 -5.465 -8.824 292 HH22 ARG 42 1HH2 ARG 42 8.822 -4.980 -10.449 293 H ILE 43 H ILE 43 2.197 -0.208 -5.910 294 HA ILE 43 HA ILE 43 0.600 -1.926 -4.152 295 HB ILE 43 HB ILE 43 0.107 0.933 -4.994 296 HG12 ILE 43 1HG1 ILE 43 2.043 0.874 -3.587 297 HG13 ILE 43 2HG1 ILE 43 0.695 1.405 -2.588 298 HG21 ILE 43 1HG2 ILE 43 -1.245 0.118 -2.601 299 HG22 ILE 43 2HG2 ILE 43 -1.916 0.764 -4.098 300 HG23 ILE 43 3HG2 ILE 43 -1.655 -0.972 -3.925 301 HD11 ILE 43 3HD1 ILE 43 0.661 -1.310 -2.244 302 HD12 ILE 43 1HD1 ILE 43 2.383 -0.949 -2.355 303 HD13 ILE 43 2HD1 ILE 43 1.388 -0.137 -1.146 304 H THR 44 H THR 44 -0.653 -3.336 -5.177 305 HA THR 44 HA THR 44 -2.195 -2.398 -7.503 306 HB THR 44 HB THR 44 -0.900 -5.114 -7.204 307 HG1 THR 44 HG1 THR 44 0.566 -3.574 -7.942 308 HG21 THR 44 3HG2 THR 44 -1.822 -5.545 -9.461 309 HG22 THR 44 1HG2 THR 44 -2.722 -4.033 -9.356 310 HG23 THR 44 2HG2 THR 44 -3.078 -5.350 -8.239 311 H TRP 45 H TRP 45 -4.277 -2.401 -6.994 312 HA TRP 45 HA TRP 45 -5.270 -4.169 -4.905 313 HB2 TRP 45 1HB TRP 45 -6.707 -1.995 -6.444 314 HB3 TRP 45 2HB TRP 45 -7.319 -2.840 -5.025 315 HD1 TRP 45 HD1 TRP 45 -4.560 -0.332 -6.021 316 HE1 TRP 45 HE1 TRP 45 -3.922 1.031 -3.933 317 HE3 TRP 45 HE3 TRP 45 -7.376 -2.806 -2.545 318 HZ2 TRP 45 HZ2 TRP 45 -4.532 1.054 -1.177 319 HZ3 TRP 45 HZ3 TRP 45 -7.293 -2.051 -0.205 320 HH2 TRP 45 HH2 TRP 45 -5.899 -0.161 0.463 321 H LEU 46 H LEU 46 -6.390 -5.974 -5.271 322 HA LEU 46 HA LEU 46 -7.466 -6.423 -7.976 323 HB2 LEU 46 1HB LEU 46 -6.413 -8.588 -6.177 324 HB3 LEU 46 2HB LEU 46 -6.836 -8.705 -7.884 325 HG LEU 46 HG LEU 46 -4.614 -6.888 -7.071 326 HD11 LEU 46 1HD1 LEU 46 -3.016 -8.630 -7.024 327 HD12 LEU 46 2HD1 LEU 46 -4.206 -9.835 -7.515 328 HD13 LEU 46 3HD1 LEU 46 -4.300 -9.105 -5.912 329 HD21 LEU 46 3HD2 LEU 46 -5.653 -8.160 -9.491 330 HD22 LEU 46 1HD2 LEU 46 -3.901 -8.259 -9.322 331 HD23 LEU 46 2HD2 LEU 46 -4.701 -6.687 -9.299 332 H LEU 47 H LEU 47 -9.554 -6.965 -8.095 333 HA LEU 47 HA LEU 47 -10.954 -7.580 -5.582 334 HB2 LEU 47 1HB LEU 47 -11.723 -5.537 -6.578 335 HB3 LEU 47 2HB LEU 47 -11.932 -6.327 -8.140 336 HG LEU 47 HG LEU 47 -13.669 -7.791 -6.874 337 HD11 LEU 47 1HD1 LEU 47 -13.142 -7.023 -4.635 338 HD12 LEU 47 2HD1 LEU 47 -14.796 -6.583 -5.059 339 HD13 LEU 47 3HD1 LEU 47 -13.522 -5.363 -5.092 340 HD21 LEU 47 3HD2 LEU 47 -14.827 -5.128 -7.104 341 HD22 LEU 47 1HD2 LEU 47 -15.176 -6.600 -8.010 342 HD23 LEU 47 2HD2 LEU 47 -13.825 -5.571 -8.487 343 H ASN 48 H ASN 48 -11.038 -9.750 -5.433 344 HA ASN 48 HA ASN 48 -11.830 -11.854 -5.826 345 HB2 ASN 48 1HB ASN 48 -13.028 -10.947 -8.431 346 HB3 ASN 48 2HB ASN 48 -13.582 -12.220 -7.347 347 HD21 ASN 48 1HD2 ASN 48 -15.253 -10.246 -8.350 348 HD22 ASN 48 2HD2 ASN 48 -15.779 -9.244 -7.045 349 H GLY 49 H GLY 49 -9.249 -10.998 -6.670 350 HA2 GLY 49 1HA GLY 49 -7.535 -12.287 -7.643 351 HA3 GLY 49 2HA GLY 49 -8.735 -13.079 -8.654 352 H GLN 50 H GLN 50 -9.976 -10.750 -9.687 353 HA GLN 50 HA GLN 50 -7.977 -10.027 -11.665 354 HB2 GLN 50 1HB GLN 50 -9.812 -9.136 -12.951 355 HB3 GLN 50 2HB GLN 50 -10.265 -10.721 -12.340 356 HG2 GLN 50 1HG GLN 50 -11.668 -9.770 -10.675 357 HG3 GLN 50 2HG GLN 50 -11.062 -8.148 -11.009 358 HE21 GLN 50 1HE2 GLN 50 -13.267 -10.612 -11.913 359 HE22 GLN 50 2HE2 GLN 50 -14.074 -9.741 -13.167 360 HA PRO 51 HA PRO 51 -7.031 -6.085 -9.955 361 HB2 PRO 51 1HB PRO 51 -6.189 -4.827 -12.208 362 HB3 PRO 51 2HB PRO 51 -5.232 -6.064 -11.385 363 HG2 PRO 51 1HG PRO 51 -6.983 -6.319 -13.800 364 HG3 PRO 51 2HG PRO 51 -5.375 -7.007 -13.506 365 HD2 PRO 51 1HD PRO 51 -7.649 -8.453 -13.243 366 HD3 PRO 51 2HD PRO 51 -6.212 -8.744 -12.243 367 H ILE 52 H ILE 52 -7.662 -3.849 -10.016 368 HA ILE 52 HA ILE 52 -10.372 -3.505 -11.032 369 HB ILE 52 HB ILE 52 -8.798 -1.588 -9.315 370 HG12 ILE 52 1HG1 ILE 52 -10.798 -3.634 -8.351 371 HG13 ILE 52 2HG1 ILE 52 -9.061 -3.918 -8.338 372 HG21 ILE 52 1HG2 ILE 52 -11.356 -1.477 -10.566 373 HG22 ILE 52 2HG2 ILE 52 -11.578 -1.518 -8.817 374 HG23 ILE 52 3HG2 ILE 52 -10.568 -0.271 -9.549 375 HD11 ILE 52 3HD1 ILE 52 -8.984 -2.972 -6.346 376 HD12 ILE 52 1HD1 ILE 52 -9.444 -1.442 -7.092 377 HD13 ILE 52 2HD1 ILE 52 -10.685 -2.518 -6.449 378 H GLN 53 H GLN 53 -10.839 -2.377 -12.799 379 HA GLN 53 HA GLN 53 -8.763 -1.134 -14.330 380 HB2 GLN 53 1HB GLN 53 -10.498 -0.693 -15.973 381 HB3 GLN 53 2HB GLN 53 -10.630 -2.347 -15.388 382 HG2 GLN 53 1HG GLN 53 -12.381 -1.434 -13.763 383 HG3 GLN 53 2HG GLN 53 -12.394 -0.003 -14.791 384 HE21 GLN 53 1HE2 GLN 53 -12.643 -3.532 -14.974 385 HE22 GLN 53 2HE2 GLN 53 -13.825 -3.557 -16.234 386 H TYR 54 H TYR 54 -11.721 0.075 -12.758 387 HA TYR 54 HA TYR 54 -10.783 2.816 -13.099 388 HB2 TYR 54 1HB TYR 54 -13.074 3.282 -11.964 389 HB3 TYR 54 2HB TYR 54 -13.050 2.701 -13.625 390 HD1 TYR 54 HD1 TYR 54 -13.255 1.405 -10.128 391 HD2 TYR 54 HD2 TYR 54 -14.396 0.907 -14.197 392 HE1 TYR 54 HE1 TYR 54 -14.707 -0.474 -9.485 393 HE2 TYR 54 HE2 TYR 54 -15.851 -0.972 -13.565 394 HH TYR 54 HH TYR 54 -16.930 -1.557 -10.631 395 H ALA 55 H ALA 55 -9.143 1.439 -11.416 396 HA ALA 55 HA ALA 55 -9.961 2.023 -8.678 397 HB1 ALA 55 3HB ALA 55 -7.337 1.108 -8.624 398 HB2 ALA 55 1HB ALA 55 -8.795 0.164 -8.317 399 HB3 ALA 55 2HB ALA 55 -8.097 0.209 -9.937 400 H ARG 56 H ARG 56 -9.900 4.228 -8.460 401 HA ARG 56 HA ARG 56 -7.605 5.746 -9.347 402 HB2 ARG 56 1HB ARG 56 -10.025 6.576 -7.733 403 HB3 ARG 56 2HB ARG 56 -8.803 7.673 -8.363 404 HG2 ARG 56 1HG ARG 56 -9.391 6.951 -10.653 405 HG3 ARG 56 2HG ARG 56 -10.683 5.961 -9.972 406 HD2 ARG 56 1HD ARG 56 -11.589 8.063 -10.747 407 HD3 ARG 56 2HD ARG 56 -11.681 7.987 -8.988 408 HE ARG 56 HE ARG 56 -9.298 9.262 -9.638 409 HH11 ARG 56 2HH1 ARG 56 -12.719 9.797 -9.998 410 HH12 ARG 56 1HH1 ARG 56 -12.585 11.524 -9.966 411 HH21 ARG 56 2HH2 ARG 56 -9.108 11.535 -9.595 412 HH22 ARG 56 1HH2 ARG 56 -10.530 12.512 -9.738 413 H SER 57 H SER 57 -6.697 3.844 -7.646 414 HA SER 57 HA SER 57 -6.560 4.735 -4.936 415 HB2 SER 57 1HB SER 57 -4.863 2.958 -4.675 416 HB3 SER 57 2HB SER 57 -6.308 2.366 -5.495 417 HG SER 57 HG SER 57 -4.109 3.326 -6.970 418 H THR 58 H THR 58 -4.856 5.705 -3.848 419 HA THR 58 HA THR 58 -2.662 6.773 -5.483 420 HB THR 58 HB THR 58 -2.843 8.951 -4.321 421 HG1 THR 58 HG1 THR 58 -5.095 7.674 -3.181 422 HG21 THR 58 3HG2 THR 58 -4.697 9.810 -5.598 423 HG22 THR 58 1HG2 THR 58 -5.409 8.203 -5.724 424 HG23 THR 58 2HG2 THR 58 -3.891 8.561 -6.547 425 H CYS 59 H CYS 59 -0.855 5.991 -4.629 426 HA CYS 59 HA CYS 59 -0.699 5.629 -1.717 427 HB2 CYS 59 1HB CYS 59 -0.278 3.589 -2.936 428 HB3 CYS 59 2HB CYS 59 0.902 4.393 -3.963 429 HG CYS 59 HG CYS 59 2.734 3.249 -2.525 430 H GLU 60 H GLU 60 0.082 7.435 -0.812 431 HA GLU 60 HA GLU 60 2.570 8.548 -1.930 432 HB2 GLU 60 1HB GLU 60 0.072 9.900 -1.083 433 HB3 GLU 60 2HB GLU 60 1.579 10.679 -0.619 434 HG2 GLU 60 1HG GLU 60 0.510 10.134 -3.357 435 HG3 GLU 60 2HG GLU 60 1.034 11.662 -2.650 436 H ALA 61 H ALA 61 4.078 9.392 -0.422 437 HA ALA 61 HA ALA 61 5.394 9.016 1.425 438 HB1 ALA 61 3HB ALA 61 3.354 9.627 3.374 439 HB2 ALA 61 1HB ALA 61 4.765 10.568 2.886 440 HB3 ALA 61 2HB ALA 61 3.256 10.707 1.983 441 H GLY 62 H GLY 62 4.351 6.596 0.554 442 HA2 GLY 62 1HA GLY 62 4.128 4.425 1.269 443 HA3 GLY 62 2HA GLY 62 4.677 4.982 2.843 444 H VAL 63 H VAL 63 1.800 6.148 1.193 445 HA VAL 63 HA VAL 63 0.144 4.736 3.179 446 HB VAL 63 HB VAL 63 -0.237 7.586 2.250 447 HG11 VAL 63 1HG1 VAL 63 -1.860 7.066 4.456 448 HG12 VAL 63 2HG1 VAL 63 -2.376 7.288 2.783 449 HG13 VAL 63 3HG1 VAL 63 -2.058 5.667 3.400 450 HG21 VAL 63 3HG2 VAL 63 -0.010 7.805 4.891 451 HG22 VAL 63 1HG2 VAL 63 0.979 6.363 4.662 452 HG23 VAL 63 2HG2 VAL 63 1.390 7.857 3.820 453 H ALA 64 H ALA 64 -0.516 3.165 1.728 454 HA ALA 64 HA ALA 64 -1.540 3.806 -0.868 455 HB1 ALA 64 3HB ALA 64 -1.654 1.274 0.762 456 HB2 ALA 64 1HB ALA 64 -2.240 1.416 -0.896 457 HB3 ALA 64 2HB ALA 64 -0.530 1.660 -0.540 458 H GLU 65 H GLU 65 -3.578 4.229 -1.486 459 HA GLU 65 HA GLU 65 -5.775 3.725 0.384 460 HB2 GLU 65 1HB GLU 65 -5.413 6.378 -1.014 461 HB3 GLU 65 2HB GLU 65 -6.672 5.949 0.135 462 HG2 GLU 65 1HG GLU 65 -4.624 5.508 1.718 463 HG3 GLU 65 2HG GLU 65 -3.817 6.616 0.610 464 H LEU 66 H LEU 66 -7.760 3.353 -0.574 465 HA LEU 66 HA LEU 66 -7.785 3.301 -3.519 466 HB2 LEU 66 1HB LEU 66 -7.539 1.048 -2.514 467 HB3 LEU 66 2HB LEU 66 -9.072 1.290 -1.679 468 HG LEU 66 HG LEU 66 -10.174 1.474 -3.914 469 HD11 LEU 66 1HD1 LEU 66 -8.898 0.528 -5.837 470 HD12 LEU 66 2HD1 LEU 66 -7.434 0.657 -4.862 471 HD13 LEU 66 3HD1 LEU 66 -8.334 2.110 -5.297 472 HD21 LEU 66 3HD2 LEU 66 -10.457 -0.584 -2.856 473 HD22 LEU 66 1HD2 LEU 66 -8.759 -1.022 -3.043 474 HD23 LEU 66 2HD2 LEU 66 -9.828 -1.015 -4.446 475 H HIS 67 H HIS 67 -8.984 5.117 -3.862 476 HA HIS 67 HA HIS 67 -11.301 5.779 -2.333 477 HB2 HIS 67 1HB HIS 67 -10.352 6.814 -5.013 478 HB3 HIS 67 2HB HIS 67 -11.658 7.519 -4.065 479 HD1 HIS 67 HD1 HIS 67 -10.686 9.702 -3.358 480 HD2 HIS 67 HD2 HIS 67 -8.086 6.531 -2.689 481 HE1 HIS 67 HE1 HIS 67 -8.749 10.678 -2.087 482 HE2 HIS 67 HE2 HIS 67 -7.149 8.759 -1.768 483 H ILE 68 H ILE 68 -13.148 4.696 -2.425 484 HA ILE 68 HA ILE 68 -14.048 3.681 -5.042 485 HB ILE 68 HB ILE 68 -14.456 2.412 -2.332 486 HG12 ILE 68 1HG1 ILE 68 -12.243 1.992 -3.266 487 HG13 ILE 68 2HG1 ILE 68 -13.212 0.524 -3.333 488 HG21 ILE 68 1HG2 ILE 68 -16.106 2.310 -4.629 489 HG22 ILE 68 2HG2 ILE 68 -15.302 0.748 -4.478 490 HG23 ILE 68 3HG2 ILE 68 -16.251 1.385 -3.135 491 HD11 ILE 68 3HD1 ILE 68 -12.529 2.375 -5.598 492 HD12 ILE 68 1HD1 ILE 68 -12.017 0.702 -5.373 493 HD13 ILE 68 2HD1 ILE 68 -13.708 1.069 -5.720 494 H GLN 69 H GLN 69 -15.428 5.315 -5.581 495 HA GLN 69 HA GLN 69 -17.384 6.260 -3.648 496 HB2 GLN 69 1HB GLN 69 -17.999 7.892 -5.339 497 HB3 GLN 69 2HB GLN 69 -16.252 7.870 -5.133 498 HG2 GLN 69 1HG GLN 69 -16.304 6.215 -7.134 499 HG3 GLN 69 2HG GLN 69 -17.900 6.905 -7.424 500 HE21 GLN 69 1HE2 GLN 69 -17.200 7.786 -9.384 501 HE22 GLN 69 2HE2 GLN 69 -16.190 9.186 -9.443 502 H ASP 70 H ASP 70 -19.677 6.354 -4.210 503 HA ASP 70 HA ASP 70 -21.640 5.311 -4.699 504 HB2 ASP 70 1HB ASP 70 -20.067 4.832 -7.223 505 HB3 ASP 70 2HB ASP 70 -21.728 4.272 -7.048 506 H ALA 71 H ALA 71 -20.236 3.867 -2.952 507 HA ALA 71 HA ALA 71 -19.425 1.305 -3.534 508 HB1 ALA 71 3HB ALA 71 -20.837 1.109 -1.113 509 HB2 ALA 71 1HB ALA 71 -19.109 1.378 -1.340 510 HB3 ALA 71 2HB ALA 71 -20.203 2.753 -1.189 511 H LEU 72 H LEU 72 -20.511 0.016 -4.908 512 HA LEU 72 HA LEU 72 -23.406 -0.248 -4.681 513 HB2 LEU 72 1HB LEU 72 -21.376 -1.173 -6.686 514 HB3 LEU 72 2HB LEU 72 -23.024 -1.799 -6.691 515 HG LEU 72 HG LEU 72 -22.344 1.127 -6.950 516 HD11 LEU 72 1HD1 LEU 72 -21.423 0.230 -8.887 517 HD12 LEU 72 2HD1 LEU 72 -23.061 0.663 -9.377 518 HD13 LEU 72 3HD1 LEU 72 -22.663 -1.017 -9.018 519 HD21 LEU 72 3HD2 LEU 72 -24.641 1.306 -7.753 520 HD22 LEU 72 1HD2 LEU 72 -24.591 0.641 -6.120 521 HD23 LEU 72 2HD2 LEU 72 -24.874 -0.424 -7.497 522 HA PRO 73 HA PRO 73 -23.383 -4.044 -2.477 523 HB2 PRO 73 1HB PRO 73 -25.547 -5.286 -3.547 524 HB3 PRO 73 2HB PRO 73 -25.677 -3.905 -2.451 525 HG2 PRO 73 1HG PRO 73 -25.845 -3.974 -5.439 526 HG3 PRO 73 2HG PRO 73 -26.849 -3.080 -4.282 527 HD2 PRO 73 1HD PRO 73 -24.833 -1.917 -5.666 528 HD3 PRO 73 2HD PRO 73 -25.284 -1.407 -4.026 529 H GLU 74 H GLU 74 -22.658 -3.881 -5.737 530 HA GLU 74 HA GLU 74 -22.320 -6.776 -6.034 531 HB2 GLU 74 1HB GLU 74 -21.924 -6.328 -8.390 532 HB3 GLU 74 2HB GLU 74 -23.420 -5.562 -7.873 533 HG2 GLU 74 1HG GLU 74 -22.520 -3.429 -7.984 534 HG3 GLU 74 2HG GLU 74 -20.861 -4.020 -7.915 535 H ASP 75 H ASP 75 -20.552 -3.864 -5.502 536 HA ASP 75 HA ASP 75 -18.008 -4.785 -6.392 537 HB2 ASP 75 1HB ASP 75 -18.952 -2.500 -4.693 538 HB3 ASP 75 2HB ASP 75 -17.233 -2.872 -4.789 539 H HIS 76 H HIS 76 -19.822 -5.094 -3.440 540 HA HIS 76 HA HIS 76 -17.973 -5.593 -1.515 541 HB2 HIS 76 1HB HIS 76 -20.120 -5.811 -0.718 542 HB3 HIS 76 2HB HIS 76 -20.652 -6.764 -2.100 543 HD1 HIS 76 HD1 HIS 76 -21.601 -8.740 -0.861 544 HD2 HIS 76 HD2 HIS 76 -17.699 -7.859 0.262 545 HE1 HIS 76 HE1 HIS 76 -20.871 -10.658 0.593 546 HE2 HIS 76 HE2 HIS 76 -18.537 -10.062 1.329 547 H GLY 77 H GLY 77 -16.185 -6.778 -1.525 548 HA2 GLY 77 1HA GLY 77 -16.282 -9.567 -2.266 549 HA3 GLY 77 2HA GLY 77 -15.312 -8.580 -3.349 550 H THR 78 H THR 78 -13.271 -9.151 -2.905 551 HA THR 78 HA THR 78 -12.343 -8.774 -0.141 552 HB THR 78 HB THR 78 -11.443 -11.024 -1.950 553 HG1 THR 78 HG1 THR 78 -13.504 -11.442 -1.091 554 HG21 THR 78 3HG2 THR 78 -10.621 -10.116 0.792 555 HG22 THR 78 1HG2 THR 78 -9.605 -10.485 -0.601 556 HG23 THR 78 2HG2 THR 78 -10.406 -11.789 0.276 557 H TYR 79 H TYR 79 -11.360 -6.828 -0.527 558 HA TYR 79 HA TYR 79 -9.678 -6.387 -2.807 559 HB2 TYR 79 1HB TYR 79 -10.140 -4.780 -0.291 560 HB3 TYR 79 2HB TYR 79 -9.111 -4.247 -1.616 561 HD1 TYR 79 HD2 TYR 79 -12.599 -5.200 -0.772 562 HD2 TYR 79 HD1 TYR 79 -10.031 -3.168 -3.489 563 HE1 TYR 79 HE2 TYR 79 -14.562 -4.241 -1.902 564 HE2 TYR 79 HE1 TYR 79 -11.987 -2.203 -4.625 565 HH TYR 79 HH TYR 79 -14.908 -1.983 -3.388 566 H THR 80 H THR 80 -7.739 -7.274 -2.999 567 HA THR 80 HA THR 80 -6.142 -7.751 -0.575 568 HB THR 80 HB THR 80 -5.924 -9.018 -3.312 569 HG1 THR 80 HG1 THR 80 -7.406 -9.598 -1.163 570 HG21 THR 80 3HG2 THR 80 -3.915 -8.676 -1.386 571 HG22 THR 80 1HG2 THR 80 -3.887 -9.752 -2.782 572 HG23 THR 80 2HG2 THR 80 -4.456 -10.347 -1.222 573 H CYS 81 H CYS 81 -4.572 -6.345 -0.194 574 HA CYS 81 HA CYS 81 -3.517 -4.730 -2.388 575 HB2 CYS 81 1HB CYS 81 -4.266 -3.551 -0.373 576 HB3 CYS 81 2HB CYS 81 -3.135 -4.480 0.603 577 HG CYS 81 HG CYS 81 -2.048 -2.470 -1.931 578 H LEU 82 H LEU 82 -2.027 -5.938 -3.456 579 HA LEU 82 HA LEU 82 -0.025 -7.437 -1.974 580 HB2 LEU 82 1HB LEU 82 -0.792 -8.600 -3.845 581 HB3 LEU 82 2HB LEU 82 -0.744 -7.167 -4.869 582 HG LEU 82 HG LEU 82 1.696 -7.268 -4.909 583 HD11 LEU 82 1HD1 LEU 82 2.000 -9.934 -3.848 584 HD12 LEU 82 2HD1 LEU 82 1.400 -8.819 -2.620 585 HD13 LEU 82 3HD1 LEU 82 2.900 -8.463 -3.476 586 HD21 LEU 82 3HD2 LEU 82 1.611 -9.863 -5.814 587 HD22 LEU 82 1HD2 LEU 82 1.199 -8.426 -6.751 588 HD23 LEU 82 2HD2 LEU 82 -0.070 -9.342 -5.939 589 H ALA 83 H ALA 83 2.091 -6.905 -1.773 590 HA ALA 83 HA ALA 83 3.108 -4.565 -3.211 591 HB1 ALA 83 3HB ALA 83 2.527 -3.440 -1.285 592 HB2 ALA 83 1HB ALA 83 2.848 -4.831 -0.248 593 HB3 ALA 83 2HB ALA 83 4.190 -3.911 -0.931 594 H GLU 84 H GLU 84 4.843 -5.289 -4.248 595 HA GLU 84 HA GLU 84 6.806 -6.881 -2.756 596 HB2 GLU 84 1HB GLU 84 7.152 -8.378 -4.612 597 HB3 GLU 84 2HB GLU 84 5.446 -8.393 -4.186 598 HG2 GLU 84 1HG GLU 84 4.875 -7.065 -6.065 599 HG3 GLU 84 2HG GLU 84 6.567 -6.715 -6.411 600 H ASN 85 H ASN 85 8.939 -6.489 -3.258 601 HA ASN 85 HA ASN 85 9.459 -4.429 -5.295 602 HB2 ASN 85 1HB ASN 85 11.031 -3.325 -3.829 603 HB3 ASN 85 2HB ASN 85 9.486 -3.463 -2.994 604 HD21 ASN 85 1HD2 ASN 85 11.260 -2.988 -1.285 605 HD22 ASN 85 2HD2 ASN 85 11.872 -4.382 -0.469 606 H ALA 86 H ALA 86 12.112 -4.251 -5.285 607 HA ALA 86 HA ALA 86 12.948 -6.647 -6.551 608 HB1 ALA 86 3HB ALA 86 15.051 -4.774 -5.710 609 HB2 ALA 86 1HB ALA 86 14.683 -5.432 -7.305 610 HB3 ALA 86 2HB ALA 86 13.757 -4.068 -6.678 611 H LEU 87 H LEU 87 12.591 -6.015 -3.348 612 HA LEU 87 HA LEU 87 14.885 -7.668 -2.544 613 HB2 LEU 87 1HB LEU 87 13.286 -5.558 -1.213 614 HB3 LEU 87 2HB LEU 87 13.893 -6.866 -0.200 615 HG LEU 87 HG LEU 87 16.174 -6.229 -1.402 616 HD11 LEU 87 1HD1 LEU 87 14.849 -4.456 -2.722 617 HD12 LEU 87 2HD1 LEU 87 16.401 -4.004 -2.019 618 HD13 LEU 87 3HD1 LEU 87 14.902 -3.526 -1.224 619 HD21 LEU 87 3HD2 LEU 87 15.174 -5.991 1.093 620 HD22 LEU 87 1HD2 LEU 87 15.465 -4.296 0.702 621 HD23 LEU 87 2HD2 LEU 87 16.789 -5.459 0.624 622 H GLY 88 H GLY 88 11.680 -7.191 -1.078 623 HA2 GLY 88 1HA GLY 88 11.355 -10.130 -1.110 624 HA3 GLY 88 2HA GLY 88 10.858 -9.126 0.244 625 H GLN 89 H GLN 89 8.770 -10.177 -0.054 626 HA GLN 89 HA GLN 89 7.022 -8.541 -1.629 627 HB2 GLN 89 1HB GLN 89 6.042 -10.372 -2.951 628 HB3 GLN 89 2HB GLN 89 7.728 -10.091 -3.366 629 HG2 GLN 89 1HG GLN 89 8.407 -12.010 -2.065 630 HG3 GLN 89 2HG GLN 89 6.746 -12.265 -1.531 631 HE21 GLN 89 1HE2 GLN 89 5.355 -11.898 -3.852 632 HE22 GLN 89 2HE2 GLN 89 5.772 -13.133 -4.985 633 H VAL 90 H VAL 90 5.060 -8.413 -0.700 634 HA VAL 90 HA VAL 90 4.210 -10.544 1.127 635 HB VAL 90 HB VAL 90 3.484 -8.854 2.794 636 HG11 VAL 90 1HG1 VAL 90 5.597 -8.617 3.837 637 HG12 VAL 90 2HG1 VAL 90 5.669 -10.113 2.904 638 HG13 VAL 90 3HG1 VAL 90 6.443 -8.651 2.290 639 HG21 VAL 90 3HG2 VAL 90 5.002 -6.651 2.422 640 HG22 VAL 90 1HG2 VAL 90 4.583 -7.039 0.753 641 HG23 VAL 90 2HG2 VAL 90 3.309 -6.772 1.944 642 H SER 91 H SER 91 1.911 -10.350 1.743 643 HA SER 91 HA SER 91 0.270 -8.716 -0.030 644 HB2 SER 91 1HB SER 91 -1.088 -10.677 -0.721 645 HB3 SER 91 2HB SER 91 0.572 -10.766 -1.312 646 HG SER 91 HG SER 91 0.068 -11.937 1.155 647 H CYS 92 H CYS 92 -1.597 -8.068 0.894 648 HA CYS 92 HA CYS 92 -2.480 -9.414 3.350 649 HB2 CYS 92 1HB CYS 92 -2.861 -7.258 4.437 650 HB3 CYS 92 2HB CYS 92 -1.167 -7.436 3.995 651 HG CYS 92 HG CYS 92 -3.290 -5.067 3.170 652 H SER 93 H SER 93 -4.571 -9.896 3.313 653 HA SER 93 HA SER 93 -6.271 -8.562 1.319 654 HB2 SER 93 1HB SER 93 -7.721 -10.550 1.481 655 HB3 SER 93 2HB SER 93 -6.070 -10.992 1.045 656 HG SER 93 HG SER 93 -6.765 -12.371 2.657 657 H ALA 94 H ALA 94 -8.437 -7.999 1.877 658 HA ALA 94 HA ALA 94 -9.006 -7.809 4.749 659 HB1 ALA 94 3HB ALA 94 -9.707 -5.445 3.111 660 HB2 ALA 94 1HB ALA 94 -9.219 -5.551 4.803 661 HB3 ALA 94 2HB ALA 94 -8.007 -5.664 3.525 662 H TRP 95 H TRP 95 -11.304 -7.150 5.154 663 HA TRP 95 HA TRP 95 -13.054 -8.277 3.067 664 HB2 TRP 95 1HB TRP 95 -12.930 -9.709 5.054 665 HB3 TRP 95 2HB TRP 95 -13.408 -8.353 6.072 666 HD1 TRP 95 HD1 TRP 95 -15.982 -7.574 5.951 667 HE1 TRP 95 HE1 TRP 95 -18.103 -8.818 5.192 668 HE3 TRP 95 HE3 TRP 95 -13.794 -11.421 3.391 669 HZ2 TRP 95 HZ2 TRP 95 -18.762 -11.126 3.705 670 HZ3 TRP 95 HZ3 TRP 95 -15.241 -13.105 2.330 671 HH2 TRP 95 HH2 TRP 95 -17.673 -12.959 2.486 672 H VAL 96 H VAL 96 -14.525 -6.954 2.235 673 HA VAL 96 HA VAL 96 -15.392 -4.627 3.821 674 HB VAL 96 HB VAL 96 -14.773 -4.652 0.863 675 HG11 VAL 96 1HG1 VAL 96 -16.735 -3.288 1.352 676 HG12 VAL 96 2HG1 VAL 96 -15.833 -2.423 2.599 677 HG13 VAL 96 3HG1 VAL 96 -15.360 -2.278 0.906 678 HG21 VAL 96 3HG2 VAL 96 -13.488 -2.941 2.971 679 HG22 VAL 96 1HG2 VAL 96 -12.864 -4.539 2.558 680 HG23 VAL 96 2HG2 VAL 96 -12.933 -3.274 1.330 681 H THR 97 H THR 97 -17.510 -4.609 4.136 682 HA THR 97 HA THR 97 -19.235 -6.013 2.202 683 HB THR 97 HB THR 97 -19.782 -5.540 5.139 684 HG1 THR 97 HG1 THR 97 -18.625 -7.664 3.716 685 HG21 THR 97 3HG2 THR 97 -21.665 -5.822 3.287 686 HG22 THR 97 1HG2 THR 97 -21.804 -6.576 4.875 687 HG23 THR 97 2HG2 THR 97 -21.260 -7.526 3.492 688 H VAL 98 H VAL 98 -20.923 -4.952 1.313 689 HA VAL 98 HA VAL 98 -21.258 -2.127 2.059 690 HB VAL 98 HB VAL 98 -22.122 -3.473 -0.502 691 HG11 VAL 98 1HG1 VAL 98 -23.175 -1.576 -0.968 692 HG12 VAL 98 2HG1 VAL 98 -22.774 -0.975 0.642 693 HG13 VAL 98 3HG1 VAL 98 -21.690 -0.661 -0.713 694 HG21 VAL 98 3HG2 VAL 98 -20.178 -2.221 -1.490 695 HG22 VAL 98 1HG2 VAL 98 -19.625 -1.924 0.158 696 HG23 VAL 98 2HG2 VAL 98 -19.745 -3.576 -0.448 697 H HIS 99 H HIS 99 -22.930 -1.777 3.359 698 HA HIS 99 HA HIS 99 -25.043 -3.543 3.828 699 HB2 HIS 99 1HB HIS 99 -24.873 -0.558 4.280 700 HB3 HIS 99 2HB HIS 99 -26.160 -1.581 4.910 701 HD1 HIS 99 HD1 HIS 99 -24.989 -3.778 6.322 702 HD2 HIS 99 HD2 HIS 99 -23.002 -0.133 6.165 703 HE1 HIS 99 HE1 HIS 99 -23.388 -3.802 8.260 704 HE2 HIS 99 HE2 HIS 99 -22.257 -1.552 8.196
Contact the webmaster for help, if required. Monday, May 20, 2024 2:27:18 PM GMT (wattos1)