NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
487333 | 2kpy | 16111 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.564 -0.613 -1.958 3 HB1 ALA 1 HB1 ALA 1 2.333 2.110 -0.994 4 HB2 ALA 1 HB2 ALA 1 3.023 1.469 -2.486 5 HB3 ALA 1 HB3 ALA 1 1.276 1.649 -2.329 6 H GLY 2 H GLY 2 3.878 0.784 0.381 7 HA2 GLY 2 HA2 GLY 2 5.539 -1.158 0.992 8 HA3 GLY 2 HA3 GLY 2 5.964 -0.962 -0.702 9 H SER 3 H SER 3 7.235 -0.380 2.087 10 HA SER 3 HA SER 3 8.970 1.638 1.268 11 HB2 SER 3 HB2 SER 3 8.186 3.454 2.887 12 HB3 SER 3 HB3 SER 3 7.241 3.257 1.411 13 HG SER 3 HG SER 3 6.527 2.837 4.030 14 H LYS 4 H LYS 4 10.597 0.541 2.215 15 HA LYS 4 HA LYS 4 11.092 0.859 4.968 16 HB2 LYS 4 HB2 LYS 4 9.384 -1.263 4.488 17 HB3 LYS 4 HB3 LYS 4 10.960 -2.036 4.594 18 HG2 LYS 4 HG2 LYS 4 11.193 -0.580 6.755 19 HG3 LYS 4 HG3 LYS 4 9.430 -0.552 6.673 20 HD2 LYS 4 HD2 LYS 4 11.046 -3.092 6.561 21 HD3 LYS 4 HD3 LYS 4 10.435 -2.401 8.067 22 HE2 LYS 4 HE2 LYS 4 8.315 -2.498 6.158 23 HE3 LYS 4 HE3 LYS 4 9.089 -4.080 6.231 24 HZ1 LYS 4 HZ1 LYS 4 7.796 -2.570 8.418 25 HZ2 LYS 4 HZ2 LYS 4 8.877 -3.832 8.735 26 HZ3 LYS 4 HZ3 LYS 4 7.454 -4.134 7.872 27 H LEU 5 H LEU 5 12.874 -1.081 5.541 28 HA LEU 5 HA LEU 5 14.835 -0.853 3.356 29 HB2 LEU 5 HB2 LEU 5 14.979 -0.220 6.143 30 HB3 LEU 5 HB3 LEU 5 16.139 -1.494 5.774 31 HG LEU 5 HG LEU 5 16.255 0.671 3.845 32 HD11 LEU 5 HD11 LEU 5 16.340 1.317 6.749 33 HD12 LEU 5 HD12 LEU 5 15.749 2.277 5.393 34 HD13 LEU 5 HD13 LEU 5 17.483 2.112 5.666 35 HD21 LEU 5 HD21 LEU 5 18.460 -0.052 5.707 36 HD22 LEU 5 HD22 LEU 5 18.505 0.287 3.977 37 HD23 LEU 5 HD23 LEU 5 17.897 -1.264 4.556 38 H CYS 6 H CYS 6 16.025 -2.629 2.746 39 HA CYS 6 HA CYS 6 15.232 -5.197 3.956 40 HB2 CYS 6 HB2 CYS 6 15.714 -4.502 1.058 41 HB3 CYS 6 HB3 CYS 6 15.663 -6.162 1.645 42 H GLU 7 H GLU 7 16.832 -6.401 4.739 43 HA GLU 7 HA GLU 7 19.578 -5.831 3.835 44 HB2 GLU 7 HB2 GLU 7 19.622 -5.017 6.003 45 HB3 GLU 7 HB3 GLU 7 18.469 -6.211 6.585 46 HG2 GLU 7 HG2 GLU 7 21.076 -7.230 5.641 47 HG3 GLU 7 HG3 GLU 7 21.074 -6.303 7.140 48 H LYS 8 H LYS 8 20.857 -7.532 3.325 49 HA LYS 8 HA LYS 8 19.614 -10.193 3.449 50 HB2 LYS 8 HB2 LYS 8 20.881 -10.801 1.539 51 HB3 LYS 8 HB3 LYS 8 20.238 -9.199 1.205 52 HG2 LYS 8 HG2 LYS 8 22.330 -8.712 0.600 53 HG3 LYS 8 HG3 LYS 8 22.637 -8.593 2.334 54 HD2 LYS 8 HD2 LYS 8 24.222 -10.136 1.982 55 HD3 LYS 8 HD3 LYS 8 22.887 -11.285 1.865 56 HE2 LYS 8 HE2 LYS 8 22.975 -11.358 -0.433 57 HE3 LYS 8 HE3 LYS 8 23.699 -9.756 -0.562 58 HZ1 LYS 8 HZ1 LYS 8 24.967 -12.325 -0.293 59 HZ2 LYS 8 HZ2 LYS 8 25.587 -11.158 0.762 60 HZ3 LYS 8 HZ3 LYS 8 25.584 -10.873 -0.906 61 H THR 9 H THR 9 20.834 -11.999 4.091 62 HA THR 9 HA THR 9 23.270 -11.350 5.622 63 HB THR 9 HB THR 9 21.532 -13.675 6.361 64 HG1 THR 9 HG1 THR 9 20.131 -11.870 6.348 65 HG21 THR 9 HG21 THR 9 22.587 -12.253 8.572 66 HG22 THR 9 HG22 THR 9 23.877 -12.409 7.379 67 HG23 THR 9 HG23 THR 9 23.051 -13.847 7.979 68 H SER 10 H SER 10 24.039 -11.887 3.281 69 HA SER 10 HA SER 10 25.110 -13.295 1.841 70 HB2 SER 10 HB2 SER 10 26.648 -13.527 3.690 71 HB3 SER 10 HB3 SER 10 25.610 -14.728 4.460 72 HG SER 10 HG SER 10 26.121 -16.181 2.887 73 H LYS 11 H LYS 11 22.428 -13.682 1.729 74 HA LYS 11 HA LYS 11 21.761 -16.466 2.048 75 HB2 LYS 11 HB2 LYS 11 20.358 -13.992 1.429 76 HB3 LYS 11 HB3 LYS 11 19.823 -15.325 0.414 77 HG2 LYS 11 HG2 LYS 11 18.392 -15.426 2.230 78 HG3 LYS 11 HG3 LYS 11 19.614 -16.641 2.612 79 HD2 LYS 11 HD2 LYS 11 20.577 -14.210 3.641 80 HD3 LYS 11 HD3 LYS 11 18.869 -14.287 4.079 81 HE2 LYS 11 HE2 LYS 11 20.907 -16.452 4.593 82 HE3 LYS 11 HE3 LYS 11 20.325 -15.295 5.789 83 HZ1 LYS 11 HZ1 LYS 11 18.246 -16.755 4.413 84 HZ2 LYS 11 HZ2 LYS 11 18.422 -16.415 6.060 85 HZ3 LYS 11 HZ3 LYS 11 19.254 -17.717 5.373 86 H THR 12 H THR 12 23.608 -14.869 -0.144 87 HA THR 12 HA THR 12 23.616 -17.050 -1.980 88 HB THR 12 HB THR 12 21.587 -15.774 -2.741 89 HG1 THR 12 HG1 THR 12 22.083 -16.329 -4.753 90 HG21 THR 12 HG21 THR 12 23.305 -13.735 -4.018 91 HG22 THR 12 HG22 THR 12 23.022 -13.541 -2.288 92 HG23 THR 12 HG23 THR 12 21.658 -13.607 -3.403 93 H TYR 13 H TYR 13 25.411 -15.394 -0.308 94 HA TYR 13 HA TYR 13 27.066 -13.919 -2.151 95 HB2 TYR 13 HB2 TYR 13 26.986 -13.075 0.076 96 HB3 TYR 13 HB3 TYR 13 27.362 -14.652 0.762 97 HD1 TYR 13 HD2 TYR 13 28.842 -12.111 -1.545 98 HD2 TYR 13 HD1 TYR 13 29.532 -15.064 1.439 99 HE1 TYR 13 HE2 TYR 13 31.231 -11.529 -1.530 100 HE2 TYR 13 HE1 TYR 13 31.924 -14.490 1.463 101 HH TYR 13 HH TYR 13 33.157 -11.696 -0.078 102 H SER 14 H SER 14 27.491 -16.865 -0.192 103 HA SER 14 HA SER 14 28.911 -18.635 -0.391 104 HB2 SER 14 HB2 SER 14 27.496 -18.654 -2.596 105 HB3 SER 14 HB3 SER 14 29.017 -18.186 -3.356 106 HG SER 14 HG SER 14 29.642 -20.174 -3.181 107 H GLY 15 H GLY 15 31.025 -19.317 -1.867 108 HA2 GLY 15 HA2 GLY 15 33.268 -18.933 -2.167 109 HA3 GLY 15 HA3 GLY 15 32.824 -17.286 -2.590 110 H LYS 16 H LYS 16 35.169 -17.628 -1.339 111 HA LYS 16 HA LYS 16 35.241 -17.685 1.430 112 HB2 LYS 16 HB2 LYS 16 37.035 -17.064 -0.672 113 HB3 LYS 16 HB3 LYS 16 37.121 -15.738 0.480 114 HG2 LYS 16 HG2 LYS 16 38.408 -16.955 1.799 115 HG3 LYS 16 HG3 LYS 16 37.137 -18.172 1.940 116 HD2 LYS 16 HD2 LYS 16 37.947 -19.161 -0.203 117 HD3 LYS 16 HD3 LYS 16 39.298 -18.026 -0.159 118 HE2 LYS 16 HE2 LYS 16 38.959 -19.474 2.342 119 HE3 LYS 16 HE3 LYS 16 39.240 -20.545 0.970 120 HZ1 LYS 16 HZ1 LYS 16 41.202 -19.423 2.329 121 HZ2 LYS 16 HZ2 LYS 16 40.961 -18.203 1.183 122 HZ3 LYS 16 HZ3 LYS 16 41.330 -19.775 0.679 123 H CYS 17 H CYS 17 35.932 -15.685 2.779 124 HA CYS 17 HA CYS 17 33.881 -13.623 2.356 125 HB2 CYS 17 HB2 CYS 17 33.543 -14.671 4.453 126 HB3 CYS 17 HB3 CYS 17 35.262 -14.642 4.833 127 H ASP 18 H ASP 18 34.601 -11.803 1.489 128 HA ASP 18 HA ASP 18 37.274 -10.836 2.272 129 HB2 ASP 18 HB2 ASP 18 36.424 -11.521 -0.294 130 HB3 ASP 18 HB3 ASP 18 36.328 -9.762 -0.258 131 H ASN 19 H ASN 19 37.200 -8.332 1.184 132 HA ASN 19 HA ASN 19 35.214 -7.030 2.895 133 HB2 ASN 19 HB2 ASN 19 37.436 -6.289 3.342 134 HB3 ASN 19 HB3 ASN 19 37.777 -6.060 1.630 135 HD21 ASN 19 HD22 ASN 19 35.323 -5.011 3.974 136 HD22 ASN 19 HD21 ASN 19 35.352 -3.347 3.512 137 H LYS 20 H LYS 20 36.739 -5.991 -0.145 138 HA LYS 20 HA LYS 20 34.494 -4.525 -1.009 139 HB2 LYS 20 HB2 LYS 20 37.033 -4.498 -1.757 140 HB3 LYS 20 HB3 LYS 20 36.451 -5.610 -2.988 141 HG2 LYS 20 HG2 LYS 20 34.779 -3.243 -2.708 142 HG3 LYS 20 HG3 LYS 20 36.446 -2.875 -3.155 143 HD2 LYS 20 HD2 LYS 20 35.169 -5.111 -4.603 144 HD3 LYS 20 HD3 LYS 20 34.531 -3.500 -4.939 145 HE2 LYS 20 HE2 LYS 20 37.427 -4.328 -5.131 146 HE3 LYS 20 HE3 LYS 20 36.326 -4.115 -6.492 147 HZ1 LYS 20 HZ1 LYS 20 36.089 -1.761 -5.256 148 HZ2 LYS 20 HZ2 LYS 20 37.185 -2.058 -6.509 149 HZ3 LYS 20 HZ3 LYS 20 37.702 -2.126 -4.899 150 H LYS 21 H LYS 21 35.509 -7.838 -1.547 151 HA LYS 21 HA LYS 21 33.798 -8.479 -3.675 152 HB2 LYS 21 HB2 LYS 21 34.836 -10.249 -1.454 153 HB3 LYS 21 HB3 LYS 21 34.089 -10.827 -2.938 154 HG2 LYS 21 HG2 LYS 21 36.648 -9.250 -2.744 155 HG3 LYS 21 HG3 LYS 21 36.510 -10.982 -3.052 156 HD2 LYS 21 HD2 LYS 21 36.644 -10.321 -5.210 157 HD3 LYS 21 HD3 LYS 21 34.914 -10.036 -5.002 158 HE2 LYS 21 HE2 LYS 21 35.188 -7.863 -5.374 159 HE3 LYS 21 HE3 LYS 21 36.379 -7.756 -4.079 160 HZ1 LYS 21 HZ1 LYS 21 37.206 -7.069 -6.302 161 HZ2 LYS 21 HZ2 LYS 21 37.019 -8.664 -6.830 162 HZ3 LYS 21 HZ3 LYS 21 38.112 -8.307 -5.589 163 H CYS 22 H CYS 22 33.310 -8.619 -0.171 164 HA CYS 22 HA CYS 22 30.795 -9.847 -0.176 165 HB2 CYS 22 HB2 CYS 22 32.532 -8.787 1.743 166 HB3 CYS 22 HB3 CYS 22 31.041 -7.870 1.930 167 H ASP 23 H ASP 23 31.679 -6.412 -0.261 168 HA ASP 23 HA ASP 23 28.997 -5.465 -0.291 169 HB2 ASP 23 HB2 ASP 23 30.971 -4.106 0.415 170 HB3 ASP 23 HB3 ASP 23 31.481 -4.044 -1.270 171 H LYS 24 H LYS 24 31.465 -5.668 -2.858 172 HA LYS 24 HA LYS 24 29.893 -4.831 -4.982 173 HB2 LYS 24 HB2 LYS 24 32.272 -5.088 -5.244 174 HB3 LYS 24 HB3 LYS 24 32.172 -6.813 -4.918 175 HG2 LYS 24 HG2 LYS 24 30.909 -7.129 -6.989 176 HG3 LYS 24 HG3 LYS 24 31.024 -5.399 -7.317 177 HD2 LYS 24 HD2 LYS 24 32.882 -5.921 -8.455 178 HD3 LYS 24 HD3 LYS 24 33.639 -6.089 -6.869 179 HE2 LYS 24 HE2 LYS 24 34.175 -8.120 -7.755 180 HE3 LYS 24 HE3 LYS 24 32.613 -8.522 -7.044 181 HZ1 LYS 24 HZ1 LYS 24 33.215 -7.944 -9.886 182 HZ2 LYS 24 HZ2 LYS 24 31.637 -7.989 -9.278 183 HZ3 LYS 24 HZ3 LYS 24 32.604 -9.376 -9.224 184 H LYS 25 H LYS 25 30.423 -8.146 -3.806 185 HA LYS 25 HA LYS 25 28.793 -9.442 -5.683 186 HB2 LYS 25 HB2 LYS 25 30.450 -10.492 -4.068 187 HB3 LYS 25 HB3 LYS 25 29.207 -10.344 -2.833 188 HG2 LYS 25 HG2 LYS 25 28.725 -12.442 -3.490 189 HG3 LYS 25 HG3 LYS 25 27.792 -11.599 -4.728 190 HD2 LYS 25 HD2 LYS 25 29.088 -13.285 -5.817 191 HD3 LYS 25 HD3 LYS 25 29.806 -11.721 -6.210 192 HE2 LYS 25 HE2 LYS 25 31.742 -12.628 -5.560 193 HE3 LYS 25 HE3 LYS 25 31.133 -12.444 -3.916 194 HZ1 LYS 25 HZ1 LYS 25 31.873 -14.680 -4.225 195 HZ2 LYS 25 HZ2 LYS 25 30.935 -14.865 -5.621 196 HZ3 LYS 25 HZ3 LYS 25 30.185 -14.700 -4.113 197 H CYS 26 H CYS 26 28.033 -7.753 -2.723 198 HA CYS 26 HA CYS 26 25.388 -8.754 -2.425 199 HB2 CYS 26 HB2 CYS 26 26.992 -6.545 -1.243 200 HB3 CYS 26 HB3 CYS 26 25.240 -6.425 -1.116 201 H ILE 27 H ILE 27 26.750 -5.853 -3.932 202 HA ILE 27 HA ILE 27 24.167 -4.864 -4.733 203 HB ILE 27 HB ILE 27 26.855 -3.945 -5.745 204 HG12 ILE 27 HG12 ILE 27 25.721 -2.256 -3.704 205 HG13 ILE 27 HG13 ILE 27 25.919 -3.891 -3.085 206 HG21 ILE 27 HG21 ILE 27 25.023 -3.110 -7.050 207 HG22 ILE 27 HG22 ILE 27 24.148 -2.630 -5.597 208 HG23 ILE 27 HG23 ILE 27 25.638 -1.798 -6.044 209 HD11 ILE 27 HD11 ILE 27 27.974 -1.948 -4.003 210 HD12 ILE 27 HD12 ILE 27 27.938 -2.958 -2.557 211 HD13 ILE 27 HD13 ILE 27 28.302 -3.676 -4.126 212 H GLU 28 H GLU 28 26.493 -7.033 -6.006 213 HA GLU 28 HA GLU 28 25.563 -6.750 -8.749 214 HB2 GLU 28 HB2 GLU 28 27.727 -8.331 -7.406 215 HB3 GLU 28 HB3 GLU 28 27.184 -8.782 -9.016 216 HG2 GLU 28 HG2 GLU 28 27.601 -6.018 -9.105 217 HG3 GLU 28 HG3 GLU 28 28.967 -6.686 -8.212 218 H TRP 29 H TRP 29 25.144 -8.837 -5.994 219 HA TRP 29 HA TRP 29 23.529 -10.689 -7.607 220 HB2 TRP 29 HB2 TRP 29 24.761 -10.978 -4.862 221 HB3 TRP 29 HB3 TRP 29 23.652 -12.156 -5.559 222 HD1 TRP 29 HD1 TRP 29 26.788 -10.404 -7.056 223 HE1 TRP 29 HE1 TRP 29 28.314 -12.232 -8.035 224 HE3 TRP 29 HE3 TRP 29 24.032 -14.522 -5.796 225 HZ2 TRP 29 HZ2 TRP 29 28.344 -15.047 -8.245 226 HZ3 TRP 29 HZ3 TRP 29 24.879 -16.745 -6.423 227 HH2 TRP 29 HH2 TRP 29 26.990 -17.000 -7.623 228 H GLU 30 H GLU 30 23.457 -8.914 -4.522 229 HA GLU 30 HA GLU 30 20.539 -9.205 -4.469 230 HB2 GLU 30 HB2 GLU 30 22.632 -8.907 -2.427 231 HB3 GLU 30 HB3 GLU 30 21.198 -7.932 -2.136 232 HG2 GLU 30 HG2 GLU 30 20.763 -10.762 -2.866 233 HG3 GLU 30 HG3 GLU 30 21.453 -10.439 -1.277 234 H LYS 31 H LYS 31 22.665 -7.146 -5.760 235 HA LYS 31 HA LYS 31 22.747 -4.900 -6.215 236 HB2 LYS 31 HB2 LYS 31 19.748 -5.280 -6.274 237 HB3 LYS 31 HB3 LYS 31 20.656 -4.019 -7.097 238 HG2 LYS 31 HG2 LYS 31 21.082 -6.938 -7.657 239 HG3 LYS 31 HG3 LYS 31 19.878 -5.966 -8.508 240 HD2 LYS 31 HD2 LYS 31 21.430 -4.958 -9.772 241 HD3 LYS 31 HD3 LYS 31 22.516 -4.717 -8.402 242 HE2 LYS 31 HE2 LYS 31 23.804 -6.229 -9.450 243 HE3 LYS 31 HE3 LYS 31 22.694 -7.402 -8.744 244 HZ1 LYS 31 HZ1 LYS 31 22.555 -6.254 -11.479 245 HZ2 LYS 31 HZ2 LYS 31 21.376 -7.265 -10.808 246 HZ3 LYS 31 HZ3 LYS 31 22.942 -7.850 -11.069 247 H ALA 32 H ALA 32 22.857 -5.385 -3.447 248 HA ALA 32 HA ALA 32 21.033 -3.663 -2.061 249 HB1 ALA 32 HB1 ALA 32 22.380 -5.700 -1.170 250 HB2 ALA 32 HB2 ALA 32 23.658 -4.511 -0.913 251 HB3 ALA 32 HB3 ALA 32 22.096 -4.313 -0.118 252 H GLN 33 H GLN 33 22.477 -2.157 -0.366 253 HA GLN 33 HA GLN 33 23.703 -0.181 -2.157 254 HB2 GLN 33 HB2 GLN 33 21.705 0.107 -0.280 255 HB3 GLN 33 HB3 GLN 33 23.128 0.683 0.578 256 HG2 GLN 33 HG2 GLN 33 23.273 1.849 -1.951 257 HG3 GLN 33 HG3 GLN 33 21.580 1.965 -1.476 258 HE21 GLN 33 HE22 GLN 33 21.248 3.942 -0.752 259 HE22 GLN 33 HE21 GLN 33 22.240 4.789 0.380 260 H HIS 34 H HIS 34 24.136 -1.722 1.010 261 HA HIS 34 HA HIS 34 27.023 -1.434 0.707 262 HB2 HIS 34 HB2 HIS 34 25.754 0.427 2.196 263 HB3 HIS 34 HB3 HIS 34 26.012 -0.811 3.421 264 HD1 HIS 34 HD1 HIS 34 28.132 0.928 0.772 265 HD2 HIS 34 HD2 HIS 34 28.384 -0.508 4.663 266 HE1 HIS 34 HE1 HIS 34 30.449 1.512 1.556 267 H GLY 35 H GLY 35 28.179 -3.097 1.578 268 HA2 GLY 35 HA2 GLY 35 26.724 -5.032 3.256 269 HA3 GLY 35 HA3 GLY 35 27.564 -5.581 1.813 270 H ALA 36 H ALA 36 28.046 -6.442 4.505 271 HA ALA 36 HA ALA 36 30.895 -5.816 4.637 272 HB1 ALA 36 HB1 ALA 36 30.553 -4.406 6.343 273 HB2 ALA 36 HB2 ALA 36 28.916 -4.997 6.631 274 HB3 ALA 36 HB3 ALA 36 30.297 -5.867 7.298 275 H CYS 37 H CYS 37 32.084 -7.332 6.044 276 HA CYS 37 HA CYS 37 30.712 -9.933 6.247 277 HB2 CYS 37 HB2 CYS 37 32.639 -9.468 4.454 278 HB3 CYS 37 HB3 CYS 37 33.658 -9.856 5.836 279 H HIS 38 H HIS 38 31.234 -11.254 7.997 280 HA HIS 38 HA HIS 38 33.120 -10.296 9.987 281 HB2 HIS 38 HB2 HIS 38 31.028 -9.121 10.556 282 HB3 HIS 38 HB3 HIS 38 30.191 -10.668 10.649 283 HD1 HIS 38 HD1 HIS 38 33.617 -10.206 12.106 284 HD2 HIS 38 HD2 HIS 38 29.666 -10.444 13.370 285 HE1 HIS 38 HE1 HIS 38 33.723 -10.422 14.609 286 H LYS 39 H LYS 39 34.073 -11.932 11.051 287 HA LYS 39 HA LYS 39 33.134 -14.641 10.466 288 HB2 LYS 39 HB2 LYS 39 35.346 -15.381 11.109 289 HB3 LYS 39 HB3 LYS 39 35.488 -14.055 9.962 290 HG2 LYS 39 HG2 LYS 39 37.013 -13.329 11.451 291 HG3 LYS 39 HG3 LYS 39 35.584 -12.662 12.244 292 HD2 LYS 39 HD2 LYS 39 36.411 -13.757 14.039 293 HD3 LYS 39 HD3 LYS 39 35.599 -15.140 13.303 294 HE2 LYS 39 HE2 LYS 39 38.173 -14.850 12.115 295 HE3 LYS 39 HE3 LYS 39 38.356 -14.805 13.868 296 HZ1 LYS 39 HZ1 LYS 39 37.905 -17.029 12.225 297 HZ2 LYS 39 HZ2 LYS 39 36.559 -16.850 13.233 298 HZ3 LYS 39 HZ3 LYS 39 38.106 -16.990 13.905 299 H ARG 40 H ARG 40 32.280 -15.942 11.967 300 HA ARG 40 HA ARG 40 32.907 -15.962 14.691 301 HB2 ARG 40 HB2 ARG 40 31.052 -13.901 13.941 302 HB3 ARG 40 HB3 ARG 40 30.236 -15.082 14.957 303 HG2 ARG 40 HG2 ARG 40 32.879 -14.267 15.923 304 HG3 ARG 40 HG3 ARG 40 31.676 -12.976 15.873 305 HD2 ARG 40 HD2 ARG 40 30.727 -15.532 16.975 306 HD3 ARG 40 HD3 ARG 40 31.974 -14.725 17.925 307 HE ARG 40 HE ARG 40 30.094 -12.796 17.305 308 HH11 ARG 40 HH12 ARG 40 30.192 -15.811 19.042 309 HH12 ARG 40 HH11 ARG 40 28.934 -15.366 20.147 310 HH21 ARG 40 HH22 ARG 40 28.438 -12.197 18.754 311 HH22 ARG 40 HH21 ARG 40 27.936 -13.310 19.982 312 H GLU 41 H GLU 41 31.122 -17.169 15.981 313 HA GLU 41 HA GLU 41 29.983 -19.121 16.246 314 HB2 GLU 41 HB2 GLU 41 28.741 -17.820 13.893 315 HB3 GLU 41 HB3 GLU 41 28.372 -19.524 14.120 316 HG2 GLU 41 HG2 GLU 41 26.710 -18.740 15.395 317 HG3 GLU 41 HG3 GLU 41 27.970 -18.608 16.621 318 H ALA 42 H ALA 42 31.631 -20.607 16.159 319 HA ALA 42 HA ALA 42 32.878 -22.345 15.380 320 HB1 ALA 42 HB1 ALA 42 31.471 -23.868 14.595 321 HB2 ALA 42 HB2 ALA 42 30.294 -22.600 14.252 322 HB3 ALA 42 HB3 ALA 42 31.465 -23.072 13.021 323 H GLY 43 H GLY 43 33.252 -19.569 14.266 324 HA2 GLY 43 HA2 GLY 43 34.814 -18.623 12.860 325 HA3 GLY 43 HA3 GLY 43 35.291 -20.246 12.384 326 H LYS 44 H LYS 44 31.997 -19.122 12.107 327 HA LYS 44 HA LYS 44 32.166 -19.471 9.213 328 HB2 LYS 44 HB2 LYS 44 29.770 -19.105 11.021 329 HB3 LYS 44 HB3 LYS 44 29.695 -19.408 9.290 330 HG2 LYS 44 HG2 LYS 44 30.665 -21.586 9.574 331 HG3 LYS 44 HG3 LYS 44 30.939 -21.282 11.291 332 HD2 LYS 44 HD2 LYS 44 28.217 -20.784 10.855 333 HD3 LYS 44 HD3 LYS 44 28.582 -22.261 9.959 334 HE2 LYS 44 HE2 LYS 44 29.691 -23.124 12.043 335 HE3 LYS 44 HE3 LYS 44 29.039 -21.720 12.888 336 HZ1 LYS 44 HZ1 LYS 44 27.125 -23.267 11.350 337 HZ2 LYS 44 HZ2 LYS 44 26.972 -22.569 12.883 338 HZ3 LYS 44 HZ3 LYS 44 27.770 -24.050 12.704 339 H GLU 45 H GLU 45 32.321 -17.802 7.876 340 HA GLU 45 HA GLU 45 32.039 -15.104 8.900 341 HB2 GLU 45 HB2 GLU 45 33.100 -16.310 6.370 342 HB3 GLU 45 HB3 GLU 45 32.703 -14.598 6.420 343 HG2 GLU 45 HG2 GLU 45 34.539 -14.096 7.568 344 HG3 GLU 45 HG3 GLU 45 34.311 -15.438 8.688 345 H SER 46 H SER 46 30.319 -13.842 8.637 346 HA SER 46 HA SER 46 28.262 -14.686 6.702 347 HB2 SER 46 HB2 SER 46 27.059 -12.980 8.584 348 HB3 SER 46 HB3 SER 46 26.852 -14.725 8.445 349 HG SER 46 HG SER 46 28.776 -13.348 10.012 350 H CYS 47 H CYS 47 27.243 -13.128 5.450 351 HA CYS 47 HA CYS 47 28.586 -10.506 5.399 352 HB2 CYS 47 HB2 CYS 47 28.735 -12.202 3.401 353 HB3 CYS 47 HB3 CYS 47 27.116 -11.613 3.035 354 H PHE 48 H PHE 48 27.372 -8.881 6.079 355 HA PHE 48 HA PHE 48 24.451 -9.069 5.747 356 HB2 PHE 48 HB2 PHE 48 24.432 -7.362 7.664 357 HB3 PHE 48 HB3 PHE 48 24.855 -9.023 8.066 358 HD1 PHE 48 HD2 PHE 48 27.206 -9.625 8.516 359 HD2 PHE 48 HD1 PHE 48 25.986 -5.590 7.924 360 HE1 PHE 48 HE2 PHE 48 29.308 -8.844 9.528 361 HE2 PHE 48 HE1 PHE 48 28.087 -4.803 8.934 362 HZ PHE 48 HZ PHE 48 29.751 -6.430 9.739 363 H CYS 49 H CYS 49 23.571 -7.695 4.361 364 HA CYS 49 HA CYS 49 24.918 -5.123 3.867 365 HB2 CYS 49 HB2 CYS 49 23.419 -6.499 1.671 366 HB3 CYS 49 HB3 CYS 49 24.721 -5.318 1.564 367 H TYR 50 H TYR 50 23.581 -3.359 3.402 368 HA TYR 50 HA TYR 50 20.707 -3.797 3.878 369 HB2 TYR 50 HB2 TYR 50 22.184 -1.330 4.779 370 HB3 TYR 50 HB3 TYR 50 20.580 -1.876 5.257 371 HD1 TYR 50 HD1 TYR 50 24.197 -2.485 5.653 372 HD2 TYR 50 HD2 TYR 50 20.288 -3.440 7.037 373 HE1 TYR 50 HE1 TYR 50 25.171 -3.602 7.617 374 HE2 TYR 50 HE2 TYR 50 21.252 -4.558 9.004 375 HH TYR 50 HH TYR 50 23.791 -4.175 10.279 376 H PHE 51 H PHE 51 19.316 -2.784 2.537 377 HA PHE 51 HA PHE 51 20.216 -0.596 0.853 378 HB2 PHE 51 HB2 PHE 51 19.953 -1.631 -1.211 379 HB3 PHE 51 HB3 PHE 51 20.691 -2.912 -0.255 380 HD1 PHE 51 HD1 PHE 51 17.634 -1.751 -1.885 381 HD2 PHE 51 HD2 PHE 51 19.428 -4.863 0.400 382 HE1 PHE 51 HE1 PHE 51 15.746 -3.233 -2.426 383 HE2 PHE 51 HE2 PHE 51 17.543 -6.349 -0.138 384 HZ PHE 51 HZ PHE 51 15.699 -5.536 -1.554 385 H ASP 52 H ASP 52 18.567 0.711 0.143 386 HA ASP 52 HA ASP 52 16.118 0.589 1.564 387 HB2 ASP 52 HB2 ASP 52 15.492 2.473 -0.102 388 HB3 ASP 52 HB3 ASP 52 16.804 2.759 1.038 389 H CYS 53 H CYS 53 14.282 -0.421 1.094 390 HA CYS 53 HA CYS 53 13.832 -1.298 -1.683 391 HB2 CYS 53 HB2 CYS 53 12.799 -3.347 -0.823 392 HB3 CYS 53 HB3 CYS 53 14.471 -3.213 -0.286 393 H SER 54 H SER 54 11.676 -1.357 -2.399 394 HA SER 54 HA SER 54 9.485 -0.738 -2.527 395 HB2 SER 54 HB2 SER 54 9.406 -0.096 0.402 396 HB3 SER 54 HB3 SER 54 8.142 -0.775 -0.624 397 HG SER 54 HG SER 54 9.295 -2.238 0.900 398 H LYS 55 H LYS 55 10.705 1.309 0.123 399 HA LYS 55 HA LYS 55 10.743 3.632 -1.608 400 HB2 LYS 55 HB2 LYS 55 8.404 3.074 -0.216 401 HB3 LYS 55 HB3 LYS 55 9.220 4.260 0.794 402 HG2 LYS 55 HG2 LYS 55 7.747 5.395 -0.715 403 HG3 LYS 55 HG3 LYS 55 9.415 5.744 -1.174 404 HD2 LYS 55 HD2 LYS 55 8.075 5.292 -3.149 405 HD3 LYS 55 HD3 LYS 55 9.276 4.019 -2.923 406 HE2 LYS 55 HE2 LYS 55 7.046 3.151 -3.547 407 HE3 LYS 55 HE3 LYS 55 7.610 2.550 -1.988 408 HZ1 LYS 55 HZ1 LYS 55 5.253 3.245 -2.000 409 HZ2 LYS 55 HZ2 LYS 55 5.742 4.834 -2.314 410 HZ3 LYS 55 HZ3 LYS 55 6.187 4.083 -0.865 411 H SER 56 H SER 56 11.152 2.233 1.593 412 HA SER 56 HA SER 56 12.697 2.587 3.225 413 HB2 SER 56 HB2 SER 56 14.557 2.408 1.886 414 HB3 SER 56 HB3 SER 56 14.040 3.707 0.811 415 HG SER 56 HG SER 56 14.866 4.167 3.479 416 HA PRO 57 HA PRO 57 10.768 6.618 4.237 417 HB2 PRO 57 HB2 PRO 57 10.133 5.907 6.778 418 HB3 PRO 57 HB3 PRO 57 9.115 5.514 5.388 419 HG2 PRO 57 HG2 PRO 57 11.091 3.793 6.835 420 HG3 PRO 57 HG3 PRO 57 9.470 3.382 6.246 421 HD2 PRO 57 HD2 PRO 57 11.722 2.690 4.912 422 HD3 PRO 57 HD3 PRO 57 10.198 3.066 4.083 423 HA PRO 58 HA PRO 58 14.023 8.495 6.521 424 HB2 PRO 58 HB2 PRO 58 12.735 10.107 8.285 425 HB3 PRO 58 HB3 PRO 58 12.800 10.440 6.550 426 HG2 PRO 58 HG2 PRO 58 10.606 9.190 8.158 427 HG3 PRO 58 HG3 PRO 58 10.497 10.403 6.870 428 HD2 PRO 58 HD2 PRO 58 9.989 7.778 6.444 429 HD3 PRO 58 HD3 PRO 58 10.690 8.829 5.197 430 H GLY 59 H GLY 59 11.951 6.326 8.028 431 HA2 GLY 59 HA2 GLY 59 13.344 6.507 10.611 432 HA3 GLY 59 HA3 GLY 59 11.850 5.631 10.314 433 H ALA 60 H ALA 60 13.676 4.906 7.734 434 HA ALA 60 HA ALA 60 14.918 3.114 7.077 435 HB1 ALA 60 HB1 ALA 60 16.812 3.428 8.233 436 HB2 ALA 60 HB2 ALA 60 15.955 3.750 9.741 437 HB3 ALA 60 HB3 ALA 60 16.239 2.087 9.225 438 H THR 61 H THR 61 14.536 1.884 10.351 439 HA THR 61 HA THR 61 13.664 -0.094 11.100 440 HB THR 61 HB THR 61 11.276 0.382 9.352 441 HG1 THR 61 HG1 THR 61 11.733 1.849 11.738 442 HG21 THR 61 HG21 THR 61 10.930 -0.013 12.222 443 HG22 THR 61 HG22 THR 61 11.808 -1.330 11.443 444 HG23 THR 61 HG23 THR 61 10.205 -0.876 10.867 445 HA PRO 62 HA PRO 62 14.728 -2.350 7.154 446 HB2 PRO 62 HB2 PRO 62 16.838 -3.701 8.199 447 HB3 PRO 62 HB3 PRO 62 16.988 -2.092 7.482 448 HG2 PRO 62 HG2 PRO 62 16.790 -2.871 10.366 449 HG3 PRO 62 HG3 PRO 62 17.852 -1.675 9.600 450 HD2 PRO 62 HD2 PRO 62 15.591 -0.983 10.920 451 HD3 PRO 62 HD3 PRO 62 16.199 -0.071 9.523 452 H ALA 63 H ALA 63 15.433 -4.890 7.242 453 HA ALA 63 HA ALA 63 13.475 -6.171 9.037 454 HB1 ALA 63 HB1 ALA 63 12.780 -6.220 6.689 455 HB2 ALA 63 HB2 ALA 63 14.281 -7.045 6.265 456 HB3 ALA 63 HB3 ALA 63 13.102 -7.841 7.307 457 HA PRO 64 HA PRO 64 17.732 -7.844 9.966 458 HB2 PRO 64 HB2 PRO 64 17.531 -7.556 12.658 459 HB3 PRO 64 HB3 PRO 64 18.114 -6.270 11.595 460 HG2 PRO 64 HG2 PRO 64 15.396 -6.654 12.788 461 HG3 PRO 64 HG3 PRO 64 16.351 -5.168 12.636 462 HD2 PRO 64 HD2 PRO 64 14.328 -5.780 10.943 463 HD3 PRO 64 HD3 PRO 64 15.760 -4.866 10.428 464 HA PRO 65 HA PRO 65 16.386 -11.869 11.114 465 HB2 PRO 65 HB2 PRO 65 18.402 -12.744 12.709 466 HB3 PRO 65 HB3 PRO 65 18.575 -12.551 10.960 467 HG2 PRO 65 HG2 PRO 65 19.438 -10.717 13.163 468 HG3 PRO 65 HG3 PRO 65 20.310 -11.188 11.693 469 HD2 PRO 65 HD2 PRO 65 19.008 -8.825 11.922 470 HD3 PRO 65 HD3 PRO 65 19.156 -9.688 10.377 471 H GLY 66 H GLY 66 17.645 -10.041 13.904 472 HA2 GLY 66 HA2 GLY 66 15.262 -10.806 15.416 473 HA3 GLY 66 HA3 GLY 66 16.820 -11.271 16.085 474 H ALA 67 H ALA 67 16.735 -8.335 14.313 475 HA ALA 67 HA ALA 67 16.945 -6.149 14.910 476 HB1 ALA 67 HB1 ALA 67 15.348 -5.332 16.272 477 HB2 ALA 67 HB2 ALA 67 14.737 -6.986 16.211 478 HB3 ALA 67 HB3 ALA 67 15.728 -6.461 17.572 479 H ALA 68 H ALA 68 19.134 -7.760 15.393 480 HA ALA 68 HA ALA 68 20.435 -6.265 17.509 481 HB1 ALA 68 HB1 ALA 68 19.436 -8.325 18.576 482 HB2 ALA 68 HB2 ALA 68 20.572 -9.268 17.610 483 HB3 ALA 68 HB3 ALA 68 21.172 -8.107 18.793 484 HA PRO 69 HA PRO 69 23.021 -7.108 13.745 485 HB2 PRO 69 HB2 PRO 69 23.832 -4.535 13.440 486 HB3 PRO 69 HB3 PRO 69 22.331 -5.158 12.745 487 HG2 PRO 69 HG2 PRO 69 22.744 -3.574 15.251 488 HG3 PRO 69 HG3 PRO 69 21.493 -3.395 14.008 489 HD2 PRO 69 HD2 PRO 69 21.039 -4.655 16.362 490 HD3 PRO 69 HD3 PRO 69 20.227 -5.125 14.854 491 HA PRO 70 HA PRO 70 26.904 -7.231 15.805 492 HB2 PRO 70 HB2 PRO 70 28.654 -6.601 13.827 493 HB3 PRO 70 HB3 PRO 70 27.793 -8.143 13.893 494 HG2 PRO 70 HG2 PRO 70 27.177 -5.697 12.282 495 HG3 PRO 70 HG3 PRO 70 27.134 -7.400 11.790 496 HD2 PRO 70 HD2 PRO 70 24.900 -6.016 12.442 497 HD3 PRO 70 HD3 PRO 70 25.069 -7.756 12.751 498 HA PRO 71 HA PRO 71 28.295 -3.291 17.175 499 HB2 PRO 71 HB2 PRO 71 30.952 -3.691 17.558 500 HB3 PRO 71 HB3 PRO 71 29.715 -4.387 18.611 501 HG2 PRO 71 HG2 PRO 71 31.220 -5.661 16.358 502 HG3 PRO 71 HG3 PRO 71 30.825 -6.322 17.955 503 HD2 PRO 71 HD2 PRO 71 29.422 -6.956 15.727 504 HD3 PRO 71 HD3 PRO 71 28.673 -6.869 17.335 505 H ALA 72 H ALA 72 30.416 -1.784 16.846 506 HA ALA 72 HA ALA 72 30.209 -0.792 14.211 507 HB1 ALA 72 HB1 ALA 72 31.879 -0.137 16.587 508 HB2 ALA 72 HB2 ALA 72 32.330 0.533 15.019 509 HB3 ALA 72 HB3 ALA 72 30.737 0.870 15.696 510 H ALA 73 H ALA 73 32.273 -3.145 15.661 511 HA ALA 73 HA ALA 73 34.039 -4.369 14.899 512 HB1 ALA 73 HB1 ALA 73 32.173 -4.908 13.259 513 HB2 ALA 73 HB2 ALA 73 32.992 -3.821 12.137 514 HB3 ALA 73 HB3 ALA 73 33.820 -5.259 12.734 515 H GLY 74 H GLY 74 35.657 -4.301 12.716 516 HA2 GLY 74 HA2 GLY 74 36.525 -1.830 11.783 517 HA3 GLY 74 HA3 GLY 74 37.366 -2.115 13.300 518 H GLY 75 H GLY 75 36.428 -4.523 10.883 519 HA2 GLY 75 HA2 GLY 75 39.238 -5.341 10.729 520 HA3 GLY 75 HA3 GLY 75 37.854 -6.295 10.216 521 H SER 76 H SER 76 37.159 -6.179 8.134 522 HA SER 76 HA SER 76 37.252 -5.790 5.895 523 HB2 SER 76 HB2 SER 76 38.092 -3.027 6.807 524 HB3 SER 76 HB3 SER 76 37.593 -3.444 5.168 525 HG SER 76 HG SER 76 35.551 -3.759 5.852 526 HA PRO 77 HA PRO 77 41.870 -6.435 6.010 527 HB2 PRO 77 HB2 PRO 77 41.793 -8.956 5.006 528 HB3 PRO 77 HB3 PRO 77 41.658 -8.606 6.733 529 HG2 PRO 77 HG2 PRO 77 39.499 -9.195 4.745 530 HG3 PRO 77 HG3 PRO 77 39.685 -9.792 6.405 531 HD2 PRO 77 HD2 PRO 77 38.003 -7.769 5.764 532 HD3 PRO 77 HD3 PRO 77 38.836 -7.859 7.329 533 H SER 78 H SER 78 43.188 -6.105 4.286 534 HA SER 78 HA SER 78 42.669 -6.889 1.639 535 HB2 SER 78 HB2 SER 78 42.349 -4.455 0.775 536 HB3 SER 78 HB3 SER 78 40.948 -5.324 1.401 537 HG SER 78 HG SER 78 41.788 -3.010 2.195 538 HA PRO 79 HA PRO 79 46.959 -5.484 2.731 539 HB2 PRO 79 HB2 PRO 79 48.164 -7.785 1.942 540 HB3 PRO 79 HB3 PRO 79 47.505 -7.554 3.565 541 HG2 PRO 79 HG2 PRO 79 46.301 -8.963 1.215 542 HG3 PRO 79 HG3 PRO 79 46.332 -9.455 2.918 543 HD2 PRO 79 HD2 PRO 79 44.159 -8.318 1.770 544 HD3 PRO 79 HD3 PRO 79 44.573 -8.075 3.479 545 HA PRO 80 HA PRO 80 48.191 -4.398 -1.348 546 HB2 PRO 80 HB2 PRO 80 50.896 -4.604 -1.234 547 HB3 PRO 80 HB3 PRO 80 49.995 -3.317 -0.423 548 HG2 PRO 80 HG2 PRO 80 51.104 -5.856 0.710 549 HG3 PRO 80 HG3 PRO 80 51.134 -4.220 1.392 550 HD2 PRO 80 HD2 PRO 80 49.358 -6.100 2.194 551 HD3 PRO 80 HD3 PRO 80 48.969 -4.368 2.169 552 H ALA 81 H ALA 81 47.412 -5.975 -2.718 553 HA ALA 81 HA ALA 81 49.375 -7.955 -3.598 554 HB1 ALA 81 HB1 ALA 81 46.715 -9.094 -3.640 555 HB2 ALA 81 HB2 ALA 81 48.217 -9.757 -2.996 556 HB3 ALA 81 HB3 ALA 81 47.229 -8.686 -2.003 557 H ASP 82 H ASP 82 48.978 -8.771 -5.743 558 HA ASP 82 HA ASP 82 48.517 -8.488 -7.953 559 HB2 ASP 82 HB2 ASP 82 45.882 -7.439 -6.899 560 HB3 ASP 82 HB3 ASP 82 46.195 -7.951 -8.555 561 H GLY 83 H GLY 83 50.038 -6.933 -8.455 562 HA2 GLY 83 HA2 GLY 83 48.946 -4.219 -8.787 563 HA3 GLY 83 HA3 GLY 83 50.512 -4.436 -8.020 564 H GLY 84 H GLY 84 49.292 -6.323 -10.735 565 HA2 GLY 84 HA2 GLY 84 49.851 -6.192 -12.998 566 HA3 GLY 84 HA3 GLY 84 50.892 -4.823 -12.638 567 H SER 85 H SER 85 50.662 -8.294 -12.812 568 HA SER 85 HA SER 85 53.496 -8.507 -13.239 569 HB2 SER 85 HB2 SER 85 52.263 -9.757 -10.773 570 HB3 SER 85 HB3 SER 85 53.866 -10.149 -11.395 571 HG SER 85 HG SER 85 54.564 -8.462 -10.379 572 HA PRO 86 HA PRO 86 50.741 -11.606 -15.368 573 HB2 PRO 86 HB2 PRO 86 51.635 -11.049 -17.870 574 HB3 PRO 86 HB3 PRO 86 50.302 -10.172 -17.109 575 HG2 PRO 86 HG2 PRO 86 53.181 -9.393 -17.365 576 HG3 PRO 86 HG3 PRO 86 51.730 -8.401 -17.592 577 HD2 PRO 86 HD2 PRO 86 53.202 -8.329 -15.321 578 HD3 PRO 86 HD3 PRO 86 51.445 -8.074 -15.329 579 HA PRO 87 HA PRO 87 53.822 -14.708 -15.839 580 HB2 PRO 87 HB2 PRO 87 52.902 -16.153 -17.945 581 HB3 PRO 87 HB3 PRO 87 52.136 -16.183 -16.352 582 HG2 PRO 87 HG2 PRO 87 51.358 -14.645 -18.800 583 HG3 PRO 87 HG3 PRO 87 50.328 -15.530 -17.660 584 HD2 PRO 87 HD2 PRO 87 50.615 -12.838 -17.578 585 HD3 PRO 87 HD3 PRO 87 50.344 -13.814 -16.120 586 HA PRO 88 HA PRO 88 56.849 -13.735 -18.876 587 HB2 PRO 88 HB2 PRO 88 57.949 -16.155 -19.425 588 HB3 PRO 88 HB3 PRO 88 58.211 -15.305 -17.898 589 HG2 PRO 88 HG2 PRO 88 56.313 -17.534 -18.524 590 HG3 PRO 88 HG3 PRO 88 57.348 -17.313 -17.102 591 HD2 PRO 88 HD2 PRO 88 54.704 -16.732 -17.083 592 HD3 PRO 88 HD3 PRO 88 55.886 -15.832 -16.111 593 HA PRO 89 HA PRO 89 55.460 -14.342 -23.004 594 HB2 PRO 89 HB2 PRO 89 57.781 -14.473 -24.406 595 HB3 PRO 89 HB3 PRO 89 57.174 -12.975 -23.691 596 HG2 PRO 89 HG2 PRO 89 59.262 -14.856 -22.660 597 HG3 PRO 89 HG3 PRO 89 59.270 -13.083 -22.688 598 HD2 PRO 89 HD2 PRO 89 58.671 -14.502 -20.461 599 HD3 PRO 89 HD3 PRO 89 57.941 -12.922 -20.812 600 H ALA 90 H ALA 90 54.499 -16.186 -23.590 601 HA ALA 90 HA ALA 90 55.555 -18.765 -23.214 602 HB1 ALA 90 HB1 ALA 90 53.397 -17.959 -25.159 603 HB2 ALA 90 HB2 ALA 90 53.666 -19.561 -24.471 604 HB3 ALA 90 HB3 ALA 90 53.142 -18.232 -23.435 605 H ASP 91 H ASP 91 57.514 -19.156 -24.133 606 HA ASP 91 HA ASP 91 58.072 -18.433 -26.868 607 HB2 ASP 91 HB2 ASP 91 59.591 -19.234 -24.566 608 HB3 ASP 91 HB3 ASP 91 60.018 -20.260 -25.933 609 H GLY 92 H GLY 92 57.803 -21.510 -25.082 610 HA2 GLY 92 HA2 GLY 92 56.497 -23.327 -25.996 611 HA3 GLY 92 HA3 GLY 92 56.935 -22.767 -27.603 612 H GLY 93 H GLY 93 57.540 -25.069 -25.301 613 HA2 GLY 93 HA2 GLY 93 60.291 -25.522 -26.266 614 HA3 GLY 93 HA3 GLY 93 59.650 -26.128 -24.745 615 H SER 94 H SER 94 57.974 -27.792 -24.860 616 HA SER 94 HA SER 94 57.293 -29.860 -25.522 617 HB2 SER 94 HB2 SER 94 57.501 -29.011 -28.391 618 HB3 SER 94 HB3 SER 94 56.264 -29.992 -27.605 619 HG SER 94 HG SER 94 55.912 -27.589 -28.182 620 HA PRO 95 HA PRO 95 58.020 -31.188 -24.348 621 HB2 PRO 95 HB2 PRO 95 60.060 -31.874 -22.693 622 HB3 PRO 95 HB3 PRO 95 59.284 -33.023 -23.790 623 HG2 PRO 95 HG2 PRO 95 61.852 -31.521 -24.126 624 HG3 PRO 95 HG3 PRO 95 61.492 -33.218 -24.494 625 HD2 PRO 95 HD2 PRO 95 61.565 -31.299 -26.402 626 HD3 PRO 95 HD3 PRO 95 60.481 -32.701 -26.499 627 HA PRO 96 HA PRO 96 58.637 -27.338 -22.310 628 HB2 PRO 96 HB2 PRO 96 57.853 -27.931 -19.779 629 HB3 PRO 96 HB3 PRO 96 56.718 -27.784 -21.127 630 HG2 PRO 96 HG2 PRO 96 57.893 -30.249 -19.898 631 HG3 PRO 96 HG3 PRO 96 56.224 -29.942 -20.412 632 HD2 PRO 96 HD2 PRO 96 57.973 -31.363 -21.913 633 HD3 PRO 96 HD3 PRO 96 56.698 -30.357 -22.630 634 H VAL 97 H VAL 97 60.236 -26.234 -21.309 635 HA VAL 97 HA VAL 97 62.203 -27.787 -19.755 636 HB VAL 97 HB VAL 97 63.916 -26.144 -20.567 637 HG11 VAL 97 HG11 VAL 97 64.008 -27.146 -22.905 638 HG12 VAL 97 HG12 VAL 97 63.977 -28.279 -21.552 639 HG13 VAL 97 HG13 VAL 97 62.511 -27.979 -22.487 640 HG21 VAL 97 HG21 VAL 97 63.353 -24.383 -21.800 641 HG22 VAL 97 HG22 VAL 97 62.537 -25.410 -22.980 642 HG23 VAL 97 HG23 VAL 97 61.660 -24.819 -21.568 643 H ASP 98 H ASP 98 59.923 -26.387 -18.702 644 HA ASP 98 HA ASP 98 59.464 -25.118 -16.862 645 HB2 ASP 98 HB2 ASP 98 61.852 -25.917 -16.221 646 HB3 ASP 98 HB3 ASP 98 62.344 -24.285 -16.666 647 H GLY 99 H GLY 99 62.186 -23.350 -18.346 648 HA2 GLY 99 HA2 GLY 99 62.143 -21.371 -19.570 649 HA3 GLY 99 HA3 GLY 99 60.393 -21.345 -19.414 650 H GLY 100 H GLY 100 61.125 -18.977 -19.122 651 HA2 GLY 100 HA2 GLY 100 60.747 -17.285 -17.539 652 HA3 GLY 100 HA3 GLY 100 61.035 -18.452 -16.256 653 H SER 101 H SER 101 63.044 -18.648 -15.388 654 HA SER 101 HA SER 101 65.191 -18.110 -14.859 655 HB2 SER 101 HB2 SER 101 65.150 -18.339 -17.726 656 HB3 SER 101 HB3 SER 101 66.271 -17.062 -17.252 657 HG SER 101 HG SER 101 67.178 -19.227 -17.329 658 HA PRO 102 HA PRO 102 65.356 -13.818 -13.972 659 HB2 PRO 102 HB2 PRO 102 68.026 -13.358 -13.793 660 HB3 PRO 102 HB3 PRO 102 67.125 -14.271 -12.577 661 HG2 PRO 102 HG2 PRO 102 68.816 -15.277 -14.833 662 HG3 PRO 102 HG3 PRO 102 68.736 -15.845 -13.155 663 HD2 PRO 102 HD2 PRO 102 67.470 -17.114 -15.184 664 HD3 PRO 102 HD3 PRO 102 66.825 -17.077 -13.530 665 HA PRO 103 HA PRO 103 66.807 -11.797 -13.520 666 HB2 PRO 103 HB2 PRO 103 65.741 -9.339 -13.960 667 HB3 PRO 103 HB3 PRO 103 67.443 -9.714 -14.252 668 HG2 PRO 103 HG2 PRO 103 65.175 -9.563 -16.200 669 HG3 PRO 103 HG3 PRO 103 66.830 -8.945 -16.359 670 HD2 PRO 103 HD2 PRO 103 66.023 -11.261 -17.507 671 HD3 PRO 103 HD3 PRO 103 67.681 -11.011 -16.924 672 HA PRO 104 HA PRO 104 62.681 -12.442 -12.142 673 HB2 PRO 104 HB2 PRO 104 62.455 -10.689 -10.081 674 HB3 PRO 104 HB3 PRO 104 63.444 -12.151 -9.994 675 HG2 PRO 104 HG2 PRO 104 64.280 -9.327 -10.534 676 HG3 PRO 104 HG3 PRO 104 65.051 -10.544 -9.499 677 HD2 PRO 104 HD2 PRO 104 65.947 -9.970 -11.989 678 HD3 PRO 104 HD3 PRO 104 66.073 -11.592 -11.279 679 HA PRO 105 HA PRO 105 59.796 -9.581 -13.822 680 HB2 PRO 105 HB2 PRO 105 57.692 -9.778 -12.119 681 HB3 PRO 105 HB3 PRO 105 58.131 -11.058 -13.255 682 HG2 PRO 105 HG2 PRO 105 58.741 -10.828 -10.334 683 HG3 PRO 105 HG3 PRO 105 58.209 -12.245 -11.257 684 HD2 PRO 105 HD2 PRO 105 60.795 -11.848 -10.557 685 HD3 PRO 105 HD3 PRO 105 60.328 -12.675 -12.058 686 H SER 106 H SER 106 58.072 -7.838 -12.943 687 HA SER 106 HA SER 106 59.674 -5.785 -11.746 688 HB2 SER 106 HB2 SER 106 56.932 -5.953 -12.916 689 HB3 SER 106 HB3 SER 106 57.297 -4.599 -11.846 690 HG SER 106 HG SER 106 58.508 -3.757 -13.346 691 H THR 107 H THR 107 58.398 -4.339 -10.055 692 HA THR 107 HA THR 107 57.800 -4.096 -7.872 693 HB THR 107 HB THR 107 56.265 -6.674 -8.230 694 HG1 THR 107 HG1 THR 107 54.526 -5.168 -8.775 695 HG21 THR 107 HG21 THR 107 55.572 -4.325 -6.483 696 HG22 THR 107 HG22 THR 107 56.580 -5.654 -5.910 697 HG23 THR 107 HG23 THR 107 54.923 -5.963 -6.428 698 H HIS 108 H HIS 108 59.730 -4.354 -6.825 699 HA HIS 108 HA HIS 108 60.870 -6.935 -6.316 700 HB2 HIS 108 HB2 HIS 108 61.532 -4.163 -5.321 701 HB3 HIS 108 HB3 HIS 108 62.426 -5.595 -4.818 702 HD1 HIS 108 HD1 HIS 108 64.483 -5.924 -6.127 703 HD2 HIS 108 HD2 HIS 108 61.516 -4.080 -8.376 704 HE1 HIS 108 HE1 HIS 108 65.513 -5.502 -8.383 Start of MODEL 2 1 H1 ALA 1 H ALA 1 1.405 -0.871 -0.548 2 HA ALA 1 HA ALA 1 3.930 -1.109 -1.493 3 HB1 ALA 1 HB1 ALA 1 3.558 1.830 -1.566 4 HB2 ALA 1 HB2 ALA 1 4.679 0.804 -2.462 5 HB3 ALA 1 HB3 ALA 1 2.989 0.903 -2.956 6 H GLY 2 H GLY 2 5.295 -1.051 0.198 7 HA2 GLY 2 HA2 GLY 2 4.612 0.673 2.486 8 HA3 GLY 2 HA3 GLY 2 4.888 -1.044 2.740 9 H SER 3 H SER 3 6.331 2.041 2.255 10 HA SER 3 HA SER 3 8.915 1.434 1.508 11 HB2 SER 3 HB2 SER 3 8.590 3.456 3.667 12 HB3 SER 3 HB3 SER 3 9.449 3.575 2.131 13 HG SER 3 HG SER 3 6.767 4.046 2.720 14 H LYS 4 H LYS 4 10.640 0.507 2.437 15 HA LYS 4 HA LYS 4 11.081 0.348 5.227 16 HB2 LYS 4 HB2 LYS 4 10.849 -2.122 5.464 17 HB3 LYS 4 HB3 LYS 4 9.317 -1.288 5.237 18 HG2 LYS 4 HG2 LYS 4 8.911 -2.832 3.685 19 HG3 LYS 4 HG3 LYS 4 10.023 -1.911 2.670 20 HD2 LYS 4 HD2 LYS 4 11.294 -3.734 2.545 21 HD3 LYS 4 HD3 LYS 4 11.648 -3.532 4.263 22 HE2 LYS 4 HE2 LYS 4 9.571 -4.847 4.749 23 HE3 LYS 4 HE3 LYS 4 9.448 -5.177 3.022 24 HZ1 LYS 4 HZ1 LYS 4 10.554 -7.012 3.887 25 HZ2 LYS 4 HZ2 LYS 4 11.518 -6.085 4.923 26 HZ3 LYS 4 HZ3 LYS 4 11.809 -6.068 3.256 27 H LEU 5 H LEU 5 12.999 -0.989 5.753 28 HA LEU 5 HA LEU 5 14.884 -0.912 3.520 29 HB2 LEU 5 HB2 LEU 5 15.041 -0.538 6.405 30 HB3 LEU 5 HB3 LEU 5 16.321 -1.571 5.775 31 HG LEU 5 HG LEU 5 15.992 0.852 4.205 32 HD11 LEU 5 HD11 LEU 5 15.405 1.397 6.747 33 HD12 LEU 5 HD12 LEU 5 16.330 2.497 5.725 34 HD13 LEU 5 HD13 LEU 5 17.165 1.435 6.858 35 HD21 LEU 5 HD21 LEU 5 18.478 0.420 5.668 36 HD22 LEU 5 HD22 LEU 5 18.191 0.561 3.934 37 HD23 LEU 5 HD23 LEU 5 17.953 -0.988 4.745 38 H CYS 6 H CYS 6 16.252 -2.657 3.017 39 HA CYS 6 HA CYS 6 15.323 -5.270 4.017 40 HB2 CYS 6 HB2 CYS 6 16.012 -4.367 1.238 41 HB3 CYS 6 HB3 CYS 6 16.177 -6.062 1.685 42 H GLU 7 H GLU 7 16.824 -6.644 4.773 43 HA GLU 7 HA GLU 7 19.654 -5.916 4.394 44 HB2 GLU 7 HB2 GLU 7 18.283 -5.915 6.779 45 HB3 GLU 7 HB3 GLU 7 19.043 -7.500 6.781 46 HG2 GLU 7 HG2 GLU 7 21.219 -6.513 6.512 47 HG3 GLU 7 HG3 GLU 7 20.507 -4.909 6.345 48 H LYS 8 H LYS 8 21.056 -7.493 3.811 49 HA LYS 8 HA LYS 8 19.936 -10.194 3.442 50 HB2 LYS 8 HB2 LYS 8 20.791 -8.575 1.463 51 HB3 LYS 8 HB3 LYS 8 22.305 -9.376 1.862 52 HG2 LYS 8 HG2 LYS 8 21.674 -11.037 0.542 53 HG3 LYS 8 HG3 LYS 8 20.429 -11.427 1.732 54 HD2 LYS 8 HD2 LYS 8 19.814 -9.243 -0.168 55 HD3 LYS 8 HD3 LYS 8 19.886 -10.876 -0.836 56 HE2 LYS 8 HE2 LYS 8 17.984 -11.500 0.179 57 HE3 LYS 8 HE3 LYS 8 18.404 -10.677 1.681 58 HZ1 LYS 8 HZ1 LYS 8 16.661 -9.409 1.016 59 HZ2 LYS 8 HZ2 LYS 8 16.921 -9.681 -0.633 60 HZ3 LYS 8 HZ3 LYS 8 17.891 -8.577 0.206 61 H THR 9 H THR 9 20.798 -11.714 4.678 62 HA THR 9 HA THR 9 23.417 -11.229 5.909 63 HB THR 9 HB THR 9 21.646 -13.507 6.709 64 HG1 THR 9 HG1 THR 9 21.342 -10.934 7.853 65 HG21 THR 9 HG21 THR 9 23.230 -11.687 8.491 66 HG22 THR 9 HG22 THR 9 24.020 -12.985 7.596 67 HG23 THR 9 HG23 THR 9 22.748 -13.362 8.757 68 H SER 10 H SER 10 24.039 -11.809 3.505 69 HA SER 10 HA SER 10 25.059 -13.248 2.064 70 HB2 SER 10 HB2 SER 10 26.626 -13.533 3.888 71 HB3 SER 10 HB3 SER 10 25.569 -14.711 4.665 72 HG SER 10 HG SER 10 26.156 -16.201 3.249 73 H LYS 11 H LYS 11 22.351 -13.541 2.049 74 HA LYS 11 HA LYS 11 21.391 -16.143 2.509 75 HB2 LYS 11 HB2 LYS 11 20.432 -13.705 1.282 76 HB3 LYS 11 HB3 LYS 11 19.936 -15.109 0.347 77 HG2 LYS 11 HG2 LYS 11 18.188 -14.834 1.828 78 HG3 LYS 11 HG3 LYS 11 19.174 -16.066 2.620 79 HD2 LYS 11 HD2 LYS 11 20.215 -13.652 3.524 80 HD3 LYS 11 HD3 LYS 11 18.468 -13.403 3.514 81 HE2 LYS 11 HE2 LYS 11 19.476 -15.957 4.633 82 HE3 LYS 11 HE3 LYS 11 19.759 -14.495 5.577 83 HZ1 LYS 11 HZ1 LYS 11 17.270 -14.078 5.175 84 HZ2 LYS 11 HZ2 LYS 11 17.719 -15.227 6.333 85 HZ3 LYS 11 HZ3 LYS 11 17.196 -15.728 4.804 86 H THR 12 H THR 12 23.439 -14.889 0.079 87 HA THR 12 HA THR 12 23.838 -17.454 -1.087 88 HB THR 12 HB THR 12 21.715 -16.827 -2.217 89 HG1 THR 12 HG1 THR 12 23.479 -18.076 -3.248 90 HG21 THR 12 HG21 THR 12 21.942 -14.425 -2.294 91 HG22 THR 12 HG22 THR 12 21.814 -15.039 -3.942 92 HG23 THR 12 HG23 THR 12 23.384 -14.556 -3.300 93 H TYR 13 H TYR 13 25.310 -15.187 0.085 94 HA TYR 13 HA TYR 13 26.715 -13.680 -1.773 95 HB2 TYR 13 HB2 TYR 13 27.071 -13.046 0.437 96 HB3 TYR 13 HB3 TYR 13 27.365 -14.697 0.971 97 HD1 TYR 13 HD1 TYR 13 28.849 -11.969 -1.083 98 HD2 TYR 13 HD2 TYR 13 29.551 -15.474 1.225 99 HE1 TYR 13 HE1 TYR 13 31.273 -11.582 -1.243 100 HE2 TYR 13 HE2 TYR 13 31.976 -15.096 1.073 101 HH TYR 13 HH TYR 13 33.335 -12.223 0.144 102 H SER 14 H SER 14 27.953 -16.626 -0.184 103 HA SER 14 HA SER 14 29.359 -18.266 -0.899 104 HB2 SER 14 HB2 SER 14 27.616 -18.391 -2.745 105 HB3 SER 14 HB3 SER 14 28.705 -17.407 -3.722 106 HG SER 14 HG SER 14 29.137 -19.538 -4.174 107 H GLY 15 H GLY 15 31.458 -18.648 -1.942 108 HA2 GLY 15 HA2 GLY 15 33.476 -17.928 -2.900 109 HA3 GLY 15 HA3 GLY 15 32.849 -16.287 -2.937 110 H LYS 16 H LYS 16 35.420 -16.766 -2.115 111 HA LYS 16 HA LYS 16 35.765 -17.145 0.646 112 HB2 LYS 16 HB2 LYS 16 37.941 -15.929 0.287 113 HB3 LYS 16 HB3 LYS 16 37.673 -17.306 -0.773 114 HG2 LYS 16 HG2 LYS 16 37.932 -16.031 -2.560 115 HG3 LYS 16 HG3 LYS 16 36.648 -14.948 -2.018 116 HD2 LYS 16 HD2 LYS 16 38.391 -13.474 -2.052 117 HD3 LYS 16 HD3 LYS 16 38.565 -14.083 -0.405 118 HE2 LYS 16 HE2 LYS 16 40.729 -14.140 -1.332 119 HE3 LYS 16 HE3 LYS 16 40.157 -15.807 -1.367 120 HZ1 LYS 16 HZ1 LYS 16 40.679 -13.975 -3.574 121 HZ2 LYS 16 HZ2 LYS 16 39.363 -15.024 -3.753 122 HZ3 LYS 16 HZ3 LYS 16 40.911 -15.648 -3.478 123 H CYS 17 H CYS 17 34.992 -15.956 2.250 124 HA CYS 17 HA CYS 17 33.719 -13.522 2.053 125 HB2 CYS 17 HB2 CYS 17 33.427 -14.802 4.037 126 HB3 CYS 17 HB3 CYS 17 35.154 -14.803 4.377 127 H ASP 18 H ASP 18 34.293 -11.399 2.192 128 HA ASP 18 HA ASP 18 36.935 -10.559 2.917 129 HB2 ASP 18 HB2 ASP 18 36.601 -11.323 0.255 130 HB3 ASP 18 HB3 ASP 18 36.483 -9.566 0.225 131 H ASN 19 H ASN 19 37.039 -8.086 1.763 132 HA ASN 19 HA ASN 19 34.796 -6.762 3.076 133 HB2 ASN 19 HB2 ASN 19 37.437 -5.718 2.038 134 HB3 ASN 19 HB3 ASN 19 36.198 -4.699 2.765 135 HD21 ASN 19 HD22 ASN 19 35.345 -5.887 4.904 136 HD22 ASN 19 HD21 ASN 19 36.615 -6.259 6.015 137 H LYS 20 H LYS 20 36.659 -6.038 0.123 138 HA LYS 20 HA LYS 20 34.526 -4.610 -1.082 139 HB2 LYS 20 HB2 LYS 20 37.125 -4.582 -1.531 140 HB3 LYS 20 HB3 LYS 20 36.721 -5.817 -2.716 141 HG2 LYS 20 HG2 LYS 20 34.951 -3.539 -2.910 142 HG3 LYS 20 HG3 LYS 20 36.646 -3.073 -3.079 143 HD2 LYS 20 HD2 LYS 20 36.040 -5.491 -4.558 144 HD3 LYS 20 HD3 LYS 20 35.011 -4.145 -5.053 145 HE2 LYS 20 HE2 LYS 20 38.025 -4.140 -4.932 146 HE3 LYS 20 HE3 LYS 20 37.042 -4.222 -6.393 147 HZ1 LYS 20 HZ1 LYS 20 37.553 -1.946 -4.620 148 HZ2 LYS 20 HZ2 LYS 20 36.056 -2.023 -5.405 149 HZ3 LYS 20 HZ3 LYS 20 37.485 -2.003 -6.310 150 H LYS 21 H LYS 21 35.610 -7.940 -1.239 151 HA LYS 21 HA LYS 21 34.153 -8.757 -3.497 152 HB2 LYS 21 HB2 LYS 21 35.048 -10.302 -1.060 153 HB3 LYS 21 HB3 LYS 21 34.344 -11.051 -2.488 154 HG2 LYS 21 HG2 LYS 21 36.904 -9.469 -2.385 155 HG3 LYS 21 HG3 LYS 21 36.756 -11.221 -2.538 156 HD2 LYS 21 HD2 LYS 21 36.953 -10.766 -4.743 157 HD3 LYS 21 HD3 LYS 21 35.224 -10.436 -4.611 158 HE2 LYS 21 HE2 LYS 21 35.578 -8.342 -5.254 159 HE3 LYS 21 HE3 LYS 21 36.613 -8.086 -3.850 160 HZ1 LYS 21 HZ1 LYS 21 37.469 -9.107 -6.504 161 HZ2 LYS 21 HZ2 LYS 21 38.477 -8.975 -5.152 162 HZ3 LYS 21 HZ3 LYS 21 37.816 -7.585 -5.853 163 H CYS 22 H CYS 22 33.294 -8.662 -0.063 164 HA CYS 22 HA CYS 22 30.752 -9.881 -0.363 165 HB2 CYS 22 HB2 CYS 22 32.329 -8.804 1.766 166 HB3 CYS 22 HB3 CYS 22 30.709 -8.122 1.868 167 H ASP 23 H ASP 23 31.694 -6.469 0.052 168 HA ASP 23 HA ASP 23 29.174 -5.331 -0.151 169 HB2 ASP 23 HB2 ASP 23 31.499 -4.260 0.359 170 HB3 ASP 23 HB3 ASP 23 31.559 -3.988 -1.380 171 H LYS 24 H LYS 24 31.546 -5.817 -2.768 172 HA LYS 24 HA LYS 24 29.922 -4.904 -4.856 173 HB2 LYS 24 HB2 LYS 24 32.285 -5.169 -5.199 174 HB3 LYS 24 HB3 LYS 24 32.198 -6.889 -4.840 175 HG2 LYS 24 HG2 LYS 24 30.861 -7.237 -6.863 176 HG3 LYS 24 HG3 LYS 24 30.981 -5.514 -7.227 177 HD2 LYS 24 HD2 LYS 24 33.114 -5.684 -7.950 178 HD3 LYS 24 HD3 LYS 24 33.539 -6.890 -6.733 179 HE2 LYS 24 HE2 LYS 24 33.410 -8.460 -8.297 180 HE3 LYS 24 HE3 LYS 24 31.690 -8.113 -8.466 181 HZ1 LYS 24 HZ1 LYS 24 33.859 -6.720 -9.941 182 HZ2 LYS 24 HZ2 LYS 24 32.197 -6.472 -10.138 183 HZ3 LYS 24 HZ3 LYS 24 32.888 -7.952 -10.577 184 H LYS 25 H LYS 25 30.436 -8.196 -3.624 185 HA LYS 25 HA LYS 25 28.770 -9.517 -5.456 186 HB2 LYS 25 HB2 LYS 25 30.414 -10.626 -3.947 187 HB3 LYS 25 HB3 LYS 25 29.337 -10.308 -2.593 188 HG2 LYS 25 HG2 LYS 25 28.497 -12.327 -3.004 189 HG3 LYS 25 HG3 LYS 25 27.686 -11.571 -4.378 190 HD2 LYS 25 HD2 LYS 25 28.803 -13.519 -5.184 191 HD3 LYS 25 HD3 LYS 25 29.709 -12.116 -5.755 192 HE2 LYS 25 HE2 LYS 25 31.427 -12.455 -4.190 193 HE3 LYS 25 HE3 LYS 25 30.443 -13.551 -3.222 194 HZ1 LYS 25 HZ1 LYS 25 30.777 -15.277 -4.670 195 HZ2 LYS 25 HZ2 LYS 25 32.264 -14.482 -4.796 196 HZ3 LYS 25 HZ3 LYS 25 31.089 -14.274 -5.995 197 H CYS 26 H CYS 26 28.069 -7.715 -2.560 198 HA CYS 26 HA CYS 26 25.438 -8.700 -2.141 199 HB2 CYS 26 HB2 CYS 26 26.970 -6.299 -1.203 200 HB3 CYS 26 HB3 CYS 26 25.239 -6.401 -0.904 201 H ILE 27 H ILE 27 26.725 -5.855 -3.823 202 HA ILE 27 HA ILE 27 24.106 -4.981 -4.651 203 HB ILE 27 HB ILE 27 26.753 -4.020 -5.728 204 HG12 ILE 27 HG12 ILE 27 25.602 -2.291 -3.731 205 HG13 ILE 27 HG13 ILE 27 25.859 -3.895 -3.056 206 HG21 ILE 27 HG21 ILE 27 25.193 -3.050 -7.081 207 HG22 ILE 27 HG22 ILE 27 23.938 -3.080 -5.842 208 HG23 ILE 27 HG23 ILE 27 25.218 -1.869 -5.771 209 HD11 ILE 27 HD11 ILE 27 28.219 -3.669 -4.110 210 HD12 ILE 27 HD12 ILE 27 27.848 -1.945 -4.112 211 HD13 ILE 27 HD13 ILE 27 27.848 -2.845 -2.596 212 H GLU 28 H GLU 28 26.479 -7.146 -5.826 213 HA GLU 28 HA GLU 28 25.603 -6.994 -8.587 214 HB2 GLU 28 HB2 GLU 28 27.691 -8.561 -7.114 215 HB3 GLU 28 HB3 GLU 28 27.181 -9.072 -8.717 216 HG2 GLU 28 HG2 GLU 28 27.662 -6.336 -8.942 217 HG3 GLU 28 HG3 GLU 28 28.976 -6.963 -7.949 218 H TRP 29 H TRP 29 25.243 -9.111 -5.802 219 HA TRP 29 HA TRP 29 23.502 -10.881 -7.368 220 HB2 TRP 29 HB2 TRP 29 24.898 -11.230 -4.716 221 HB3 TRP 29 HB3 TRP 29 23.662 -12.347 -5.288 222 HD1 TRP 29 HD1 TRP 29 26.531 -10.803 -7.382 223 HE1 TRP 29 HE1 TRP 29 27.932 -12.732 -8.352 224 HE3 TRP 29 HE3 TRP 29 24.175 -14.737 -5.120 225 HZ2 TRP 29 HZ2 TRP 29 28.026 -15.548 -8.182 226 HZ3 TRP 29 HZ3 TRP 29 24.982 -17.016 -5.577 227 HH2 TRP 29 HH2 TRP 29 26.868 -17.411 -7.077 228 H GLU 30 H GLU 30 23.594 -9.097 -4.293 229 HA GLU 30 HA GLU 30 20.706 -9.433 -4.007 230 HB2 GLU 30 HB2 GLU 30 22.391 -7.904 -2.063 231 HB3 GLU 30 HB3 GLU 30 20.947 -8.864 -1.770 232 HG2 GLU 30 HG2 GLU 30 23.749 -9.819 -2.246 233 HG3 GLU 30 HG3 GLU 30 22.732 -10.064 -0.828 234 H LYS 31 H LYS 31 22.734 -7.349 -5.533 235 HA LYS 31 HA LYS 31 22.651 -5.156 -6.185 236 HB2 LYS 31 HB2 LYS 31 19.701 -5.825 -6.168 237 HB3 LYS 31 HB3 LYS 31 20.424 -4.457 -7.005 238 HG2 LYS 31 HG2 LYS 31 21.203 -7.302 -7.570 239 HG3 LYS 31 HG3 LYS 31 19.889 -6.478 -8.413 240 HD2 LYS 31 HD2 LYS 31 21.298 -5.197 -9.626 241 HD3 LYS 31 HD3 LYS 31 22.438 -5.006 -8.291 242 HE2 LYS 31 HE2 LYS 31 23.757 -6.554 -9.179 243 HE3 LYS 31 HE3 LYS 31 22.449 -7.733 -9.101 244 HZ1 LYS 31 HZ1 LYS 31 23.400 -7.343 -11.361 245 HZ2 LYS 31 HZ2 LYS 31 22.746 -5.784 -11.316 246 HZ3 LYS 31 HZ3 LYS 31 21.725 -7.132 -11.257 247 H ALA 32 H ALA 32 22.749 -5.488 -3.348 248 HA ALA 32 HA ALA 32 20.888 -3.645 -2.153 249 HB1 ALA 32 HB1 ALA 32 21.682 -5.466 -0.812 250 HB2 ALA 32 HB2 ALA 32 23.360 -4.985 -1.069 251 HB3 ALA 32 HB3 ALA 32 22.284 -3.960 -0.120 252 H GLN 33 H GLN 33 22.250 -2.064 -0.495 253 HA GLN 33 HA GLN 33 23.562 -0.202 -2.323 254 HB2 GLN 33 HB2 GLN 33 21.820 0.060 -0.058 255 HB3 GLN 33 HB3 GLN 33 23.311 0.939 0.253 256 HG2 GLN 33 HG2 GLN 33 21.787 1.278 -2.305 257 HG3 GLN 33 HG3 GLN 33 21.392 2.197 -0.853 258 HE21 GLN 33 HE22 GLN 33 22.271 3.277 -3.324 259 HE22 GLN 33 HE21 GLN 33 23.783 4.064 -3.043 260 H HIS 34 H HIS 34 24.097 -1.726 0.839 261 HA HIS 34 HA HIS 34 26.983 -1.433 0.409 262 HB2 HIS 34 HB2 HIS 34 25.414 -0.120 2.466 263 HB3 HIS 34 HB3 HIS 34 26.649 -1.160 3.170 264 HD1 HIS 34 HD1 HIS 34 26.551 1.427 0.368 265 HD2 HIS 34 HD2 HIS 34 28.951 0.191 3.527 266 HE1 HIS 34 HE1 HIS 34 28.527 2.982 0.359 267 H GLY 35 H GLY 35 28.283 -2.945 1.616 268 HA2 GLY 35 HA2 GLY 35 26.901 -5.122 2.967 269 HA3 GLY 35 HA3 GLY 35 27.700 -5.543 1.459 270 H ALA 36 H ALA 36 28.233 -6.439 4.213 271 HA ALA 36 HA ALA 36 31.104 -5.969 4.176 272 HB1 ALA 36 HB1 ALA 36 30.624 -5.787 6.871 273 HB2 ALA 36 HB2 ALA 36 30.996 -4.437 5.798 274 HB3 ALA 36 HB3 ALA 36 29.318 -4.827 6.176 275 H CYS 37 H CYS 37 32.269 -7.451 5.643 276 HA CYS 37 HA CYS 37 30.742 -9.929 6.112 277 HB2 CYS 37 HB2 CYS 37 32.578 -9.757 4.197 278 HB3 CYS 37 HB3 CYS 37 33.669 -10.050 5.548 279 H HIS 38 H HIS 38 31.359 -11.209 7.896 280 HA HIS 38 HA HIS 38 33.358 -10.202 9.736 281 HB2 HIS 38 HB2 HIS 38 31.294 -8.903 10.271 282 HB3 HIS 38 HB3 HIS 38 30.474 -10.422 10.620 283 HD1 HIS 38 HD1 HIS 38 33.811 -8.961 11.753 284 HD2 HIS 38 HD2 HIS 38 30.377 -10.720 13.294 285 HE1 HIS 38 HE1 HIS 38 34.178 -9.090 14.237 286 H LYS 39 H LYS 39 33.771 -11.672 11.516 287 HA LYS 39 HA LYS 39 33.324 -14.433 10.710 288 HB2 LYS 39 HB2 LYS 39 35.577 -13.404 11.462 289 HB3 LYS 39 HB3 LYS 39 34.936 -13.557 13.092 290 HG2 LYS 39 HG2 LYS 39 34.924 -15.926 11.280 291 HG3 LYS 39 HG3 LYS 39 36.420 -15.439 12.081 292 HD2 LYS 39 HD2 LYS 39 34.391 -15.372 14.037 293 HD3 LYS 39 HD3 LYS 39 34.185 -16.881 13.145 294 HE2 LYS 39 HE2 LYS 39 36.337 -17.624 13.680 295 HE3 LYS 39 HE3 LYS 39 36.880 -16.009 14.131 296 HZ1 LYS 39 HZ1 LYS 39 34.682 -16.870 15.729 297 HZ2 LYS 39 HZ2 LYS 39 36.209 -16.323 16.210 298 HZ3 LYS 39 HZ3 LYS 39 35.976 -17.955 15.830 299 H ARG 40 H ARG 40 31.918 -15.767 11.650 300 HA ARG 40 HA ARG 40 31.002 -15.233 14.372 301 HB2 ARG 40 HB2 ARG 40 29.345 -15.061 11.921 302 HB3 ARG 40 HB3 ARG 40 28.634 -15.917 13.283 303 HG2 ARG 40 HG2 ARG 40 29.827 -13.191 13.617 304 HG3 ARG 40 HG3 ARG 40 28.173 -13.410 13.041 305 HD2 ARG 40 HD2 ARG 40 27.439 -14.237 15.048 306 HD3 ARG 40 HD3 ARG 40 29.026 -14.864 15.492 307 HE ARG 40 HE ARG 40 29.472 -12.873 16.516 308 HH11 ARG 40 HH12 ARG 40 26.814 -12.430 14.312 309 HH12 ARG 40 HH11 ARG 40 26.492 -10.806 14.821 310 HH21 ARG 40 HH22 ARG 40 29.058 -10.735 17.195 311 HH22 ARG 40 HH21 ARG 40 27.769 -9.842 16.461 312 H GLU 41 H GLU 41 29.375 -17.090 14.991 313 HA GLU 41 HA GLU 41 29.203 -19.294 15.538 314 HB2 GLU 41 HB2 GLU 41 29.899 -19.760 12.635 315 HB3 GLU 41 HB3 GLU 41 29.036 -20.859 13.703 316 HG2 GLU 41 HG2 GLU 41 27.124 -19.488 13.740 317 HG3 GLU 41 HG3 GLU 41 27.991 -18.129 13.026 318 H ALA 42 H ALA 42 30.471 -21.581 14.802 319 HA ALA 42 HA ALA 42 32.833 -21.545 16.245 320 HB1 ALA 42 HB1 ALA 42 32.544 -23.553 14.070 321 HB2 ALA 42 HB2 ALA 42 33.025 -23.769 15.754 322 HB3 ALA 42 HB3 ALA 42 31.328 -23.514 15.347 323 H GLY 43 H GLY 43 32.291 -20.932 12.839 324 HA2 GLY 43 HA2 GLY 43 34.692 -19.533 12.488 325 HA3 GLY 43 HA3 GLY 43 34.947 -21.182 11.935 326 H LYS 44 H LYS 44 31.890 -19.478 11.691 327 HA LYS 44 HA LYS 44 32.160 -19.576 8.761 328 HB2 LYS 44 HB2 LYS 44 29.544 -19.286 10.209 329 HB3 LYS 44 HB3 LYS 44 29.844 -19.897 8.587 330 HG2 LYS 44 HG2 LYS 44 30.604 -21.295 11.144 331 HG3 LYS 44 HG3 LYS 44 29.199 -21.671 10.144 332 HD2 LYS 44 HD2 LYS 44 30.536 -22.449 8.372 333 HD3 LYS 44 HD3 LYS 44 31.994 -21.710 9.039 334 HE2 LYS 44 HE2 LYS 44 32.438 -23.742 9.863 335 HE3 LYS 44 HE3 LYS 44 31.196 -23.380 11.061 336 HZ1 LYS 44 HZ1 LYS 44 30.501 -25.389 10.230 337 HZ2 LYS 44 HZ2 LYS 44 31.016 -25.059 8.653 338 HZ3 LYS 44 HZ3 LYS 44 29.619 -24.322 9.257 339 H GLU 45 H GLU 45 32.264 -17.724 7.676 340 HA GLU 45 HA GLU 45 31.921 -15.221 9.100 341 HB2 GLU 45 HB2 GLU 45 33.302 -16.120 6.683 342 HB3 GLU 45 HB3 GLU 45 32.498 -14.570 6.483 343 HG2 GLU 45 HG2 GLU 45 33.892 -13.502 7.902 344 HG3 GLU 45 HG3 GLU 45 34.102 -14.913 8.936 345 H SER 46 H SER 46 30.249 -13.860 8.908 346 HA SER 46 HA SER 46 28.121 -14.585 7.011 347 HB2 SER 46 HB2 SER 46 26.788 -12.995 8.643 348 HB3 SER 46 HB3 SER 46 27.097 -14.674 9.082 349 HG SER 46 HG SER 46 28.111 -12.341 10.163 350 H CYS 47 H CYS 47 27.206 -13.058 5.678 351 HA CYS 47 HA CYS 47 28.642 -10.489 5.518 352 HB2 CYS 47 HB2 CYS 47 28.770 -12.254 3.598 353 HB3 CYS 47 HB3 CYS 47 27.152 -11.683 3.204 354 H PHE 48 H PHE 48 27.486 -8.782 6.085 355 HA PHE 48 HA PHE 48 24.555 -8.919 5.852 356 HB2 PHE 48 HB2 PHE 48 24.718 -6.935 7.519 357 HB3 PHE 48 HB3 PHE 48 25.000 -8.567 8.114 358 HD1 PHE 48 HD1 PHE 48 27.294 -9.329 8.595 359 HD2 PHE 48 HD2 PHE 48 26.440 -5.301 7.518 360 HE1 PHE 48 HE1 PHE 48 29.491 -8.636 9.459 361 HE2 PHE 48 HE2 PHE 48 28.635 -4.601 8.379 362 HZ PHE 48 HZ PHE 48 30.165 -6.269 9.351 363 H CYS 49 H CYS 49 23.558 -7.612 4.466 364 HA CYS 49 HA CYS 49 25.007 -5.248 3.473 365 HB2 CYS 49 HB2 CYS 49 23.097 -6.686 1.684 366 HB3 CYS 49 HB3 CYS 49 24.509 -5.721 1.269 367 H TYR 50 H TYR 50 23.766 -3.429 2.975 368 HA TYR 50 HA TYR 50 21.012 -3.499 4.022 369 HB2 TYR 50 HB2 TYR 50 22.783 -1.059 3.943 370 HB3 TYR 50 HB3 TYR 50 21.281 -1.278 4.833 371 HD1 TYR 50 HD2 TYR 50 24.853 -2.180 4.710 372 HD2 TYR 50 HD1 TYR 50 21.256 -2.335 6.977 373 HE1 TYR 50 HE2 TYR 50 26.135 -2.895 6.684 374 HE2 TYR 50 HE1 TYR 50 22.528 -3.050 8.957 375 HH TYR 50 HH TYR 50 24.681 -4.160 9.460 376 H PHE 51 H PHE 51 19.393 -2.723 2.786 377 HA PHE 51 HA PHE 51 19.991 -1.121 0.430 378 HB2 PHE 51 HB2 PHE 51 20.134 -3.470 -0.339 379 HB3 PHE 51 HB3 PHE 51 18.492 -3.742 0.234 380 HD1 PHE 51 HD1 PHE 51 20.205 -1.141 -1.830 381 HD2 PHE 51 HD2 PHE 51 16.952 -3.859 -1.449 382 HE1 PHE 51 HE1 PHE 51 19.328 -0.391 -4.003 383 HE2 PHE 51 HE2 PHE 51 16.070 -3.114 -3.622 384 HZ PHE 51 HZ PHE 51 17.259 -1.378 -4.902 385 H ASP 52 H ASP 52 18.114 -0.115 -0.499 386 HA ASP 52 HA ASP 52 16.034 0.336 1.499 387 HB2 ASP 52 HB2 ASP 52 15.383 2.200 -0.143 388 HB3 ASP 52 HB3 ASP 52 16.913 2.373 0.712 389 H CYS 53 H CYS 53 14.067 -0.510 1.343 390 HA CYS 53 HA CYS 53 13.247 -1.663 -1.241 391 HB2 CYS 53 HB2 CYS 53 12.968 -2.599 1.566 392 HB3 CYS 53 HB3 CYS 53 11.624 -2.928 0.477 393 H SER 54 H SER 54 11.048 -1.485 -1.864 394 HA SER 54 HA SER 54 9.216 -0.198 -2.322 395 HB2 SER 54 HB2 SER 54 9.134 -0.549 0.664 396 HB3 SER 54 HB3 SER 54 7.872 0.355 -0.174 397 HG SER 54 HG SER 54 7.644 -2.054 0.165 398 H LYS 55 H LYS 55 11.677 1.256 -2.159 399 HA LYS 55 HA LYS 55 12.421 3.405 -2.210 400 HB2 LYS 55 HB2 LYS 55 9.534 4.206 -1.830 401 HB3 LYS 55 HB3 LYS 55 10.826 5.183 -2.515 402 HG2 LYS 55 HG2 LYS 55 10.383 4.413 -4.539 403 HG3 LYS 55 HG3 LYS 55 10.609 2.749 -3.993 404 HD2 LYS 55 HD2 LYS 55 8.384 3.064 -4.945 405 HD3 LYS 55 HD3 LYS 55 8.287 2.686 -3.224 406 HE2 LYS 55 HE2 LYS 55 7.128 4.547 -2.879 407 HE3 LYS 55 HE3 LYS 55 8.475 5.505 -3.493 408 HZ1 LYS 55 HZ1 LYS 55 7.142 6.072 -5.154 409 HZ2 LYS 55 HZ2 LYS 55 5.969 4.935 -4.715 410 HZ3 LYS 55 HZ3 LYS 55 7.250 4.482 -5.724 411 H SER 56 H SER 56 12.842 2.246 0.143 412 HA SER 56 HA SER 56 11.698 3.433 2.412 413 HB2 SER 56 HB2 SER 56 12.900 1.691 3.194 414 HB3 SER 56 HB3 SER 56 14.010 1.733 1.824 415 HG SER 56 HG SER 56 15.281 3.143 2.872 416 HA PRO 57 HA PRO 57 13.490 7.424 2.732 417 HB2 PRO 57 HB2 PRO 57 13.921 7.639 5.404 418 HB3 PRO 57 HB3 PRO 57 12.307 7.685 4.685 419 HG2 PRO 57 HG2 PRO 57 13.730 5.405 6.005 420 HG3 PRO 57 HG3 PRO 57 12.040 5.916 6.171 421 HD2 PRO 57 HD2 PRO 57 12.787 3.843 4.598 422 HD3 PRO 57 HD3 PRO 57 11.404 4.886 4.209 423 HA PRO 58 HA PRO 58 17.884 7.363 2.864 424 HB2 PRO 58 HB2 PRO 58 18.494 9.769 3.964 425 HB3 PRO 58 HB3 PRO 58 17.850 9.597 2.327 426 HG2 PRO 58 HG2 PRO 58 16.423 10.317 4.858 427 HG3 PRO 58 HG3 PRO 58 16.258 11.025 3.240 428 HD2 PRO 58 HD2 PRO 58 14.496 9.222 4.227 429 HD3 PRO 58 HD3 PRO 58 14.888 9.327 2.499 430 H GLY 59 H GLY 59 16.091 7.425 5.741 431 HA2 GLY 59 HA2 GLY 59 18.361 6.349 7.214 432 HA3 GLY 59 HA3 GLY 59 17.654 7.822 7.862 433 H ALA 60 H ALA 60 17.541 4.475 7.886 434 HA ALA 60 HA ALA 60 15.502 4.375 9.832 435 HB1 ALA 60 HB1 ALA 60 14.064 4.790 7.873 436 HB2 ALA 60 HB2 ALA 60 14.677 3.310 7.134 437 HB3 ALA 60 HB3 ALA 60 13.746 3.229 8.630 438 H THR 61 H THR 61 14.599 1.818 9.651 439 HA THR 61 HA THR 61 17.054 0.196 9.479 440 HB THR 61 HB THR 61 15.706 -1.151 11.371 441 HG1 THR 61 HG1 THR 61 14.592 0.214 12.695 442 HG21 THR 61 HG21 THR 61 17.743 -0.741 12.203 443 HG22 THR 61 HG22 THR 61 17.053 0.726 12.897 444 HG23 THR 61 HG23 THR 61 17.872 0.789 11.337 445 HA PRO 62 HA PRO 62 14.839 -2.726 7.067 446 HB2 PRO 62 HB2 PRO 62 15.844 -5.085 7.959 447 HB3 PRO 62 HB3 PRO 62 16.775 -3.959 6.964 448 HG2 PRO 62 HG2 PRO 62 16.833 -4.359 9.930 449 HG3 PRO 62 HG3 PRO 62 18.185 -4.134 8.805 450 HD2 PRO 62 HD2 PRO 62 17.223 -2.127 10.347 451 HD3 PRO 62 HD3 PRO 62 17.909 -1.847 8.733 452 H ALA 63 H ALA 63 13.732 -5.038 7.385 453 HA ALA 63 HA ALA 63 11.960 -4.787 9.728 454 HB1 ALA 63 HB1 ALA 63 10.345 -6.109 8.197 455 HB2 ALA 63 HB2 ALA 63 10.572 -4.382 7.918 456 HB3 ALA 63 HB3 ALA 63 11.396 -5.557 6.892 457 HA PRO 64 HA PRO 64 14.251 -8.826 10.063 458 HB2 PRO 64 HB2 PRO 64 14.859 -8.540 12.693 459 HB3 PRO 64 HB3 PRO 64 15.875 -7.898 11.397 460 HG2 PRO 64 HG2 PRO 64 13.856 -6.486 13.097 461 HG3 PRO 64 HG3 PRO 64 15.471 -5.949 12.599 462 HD2 PRO 64 HD2 PRO 64 13.210 -5.088 11.383 463 HD3 PRO 64 HD3 PRO 64 14.745 -5.287 10.514 464 HA PRO 65 HA PRO 65 10.964 -11.090 11.906 465 HB2 PRO 65 HB2 PRO 65 12.264 -13.087 13.207 466 HB3 PRO 65 HB3 PRO 65 12.141 -13.009 11.446 467 HG2 PRO 65 HG2 PRO 65 14.409 -12.200 13.224 468 HG3 PRO 65 HG3 PRO 65 14.453 -13.085 11.688 469 HD2 PRO 65 HD2 PRO 65 15.010 -10.441 11.862 470 HD3 PRO 65 HD3 PRO 65 14.248 -11.164 10.431 471 H GLY 66 H GLY 66 13.529 -9.984 14.023 472 HA2 GLY 66 HA2 GLY 66 13.172 -8.859 16.061 473 HA3 GLY 66 HA3 GLY 66 11.552 -9.538 16.126 474 H ALA 67 H ALA 67 14.426 -11.448 15.518 475 HA ALA 67 HA ALA 67 14.168 -12.611 18.214 476 HB1 ALA 67 HB1 ALA 67 14.529 -14.805 17.343 477 HB2 ALA 67 HB2 ALA 67 13.218 -14.067 16.422 478 HB3 ALA 67 HB3 ALA 67 14.835 -14.172 15.725 479 H ALA 68 H ALA 68 15.893 -11.272 18.919 480 HA ALA 68 HA ALA 68 18.065 -10.698 19.315 481 HB1 ALA 68 HB1 ALA 68 18.189 -12.939 20.156 482 HB2 ALA 68 HB2 ALA 68 18.423 -13.586 18.532 483 HB3 ALA 68 HB3 ALA 68 19.677 -12.593 19.275 484 HA PRO 69 HA PRO 69 18.895 -9.949 14.802 485 HB2 PRO 69 HB2 PRO 69 19.006 -7.246 15.029 486 HB3 PRO 69 HB3 PRO 69 17.496 -8.126 14.765 487 HG2 PRO 69 HG2 PRO 69 18.634 -7.037 17.311 488 HG3 PRO 69 HG3 PRO 69 16.963 -6.984 16.719 489 HD2 PRO 69 HD2 PRO 69 17.796 -8.774 18.572 490 HD3 PRO 69 HD3 PRO 69 16.523 -9.144 17.390 491 HA PRO 70 HA PRO 70 23.233 -9.344 15.188 492 HB2 PRO 70 HB2 PRO 70 23.826 -7.839 13.007 493 HB3 PRO 70 HB3 PRO 70 23.378 -9.545 12.903 494 HG2 PRO 70 HG2 PRO 70 21.693 -7.113 12.451 495 HG3 PRO 70 HG3 PRO 70 21.762 -8.616 11.513 496 HD2 PRO 70 HD2 PRO 70 19.803 -8.112 13.313 497 HD3 PRO 70 HD3 PRO 70 20.407 -9.750 12.992 498 HA PRO 71 HA PRO 71 24.315 -5.536 17.100 499 HB2 PRO 71 HB2 PRO 71 26.908 -5.208 16.363 500 HB3 PRO 71 HB3 PRO 71 26.387 -6.436 17.524 501 HG2 PRO 71 HG2 PRO 71 27.002 -6.725 14.608 502 HG3 PRO 71 HG3 PRO 71 27.451 -7.785 15.957 503 HD2 PRO 71 HD2 PRO 71 25.380 -8.333 14.301 504 HD3 PRO 71 HD3 PRO 71 25.382 -8.799 16.014 505 H ALA 72 H ALA 72 25.368 -5.725 13.709 506 HA ALA 72 HA ALA 72 25.323 -4.212 12.008 507 HB1 ALA 72 HB1 ALA 72 22.939 -4.049 12.671 508 HB2 ALA 72 HB2 ALA 72 23.360 -2.696 13.722 509 HB3 ALA 72 HB3 ALA 72 23.578 -2.559 11.977 510 H ALA 73 H ALA 73 27.549 -3.928 13.270 511 HA ALA 73 HA ALA 73 27.906 -1.300 14.415 512 HB1 ALA 73 HB1 ALA 73 30.417 -2.153 14.125 513 HB2 ALA 73 HB2 ALA 73 29.379 -2.678 15.450 514 HB3 ALA 73 HB3 ALA 73 29.586 -3.706 14.032 515 H GLY 74 H GLY 74 29.069 -2.991 11.497 516 HA2 GLY 74 HA2 GLY 74 28.959 -1.800 9.368 517 HA3 GLY 74 HA3 GLY 74 29.399 -0.339 10.240 518 H GLY 75 H GLY 75 30.716 -1.421 7.927 519 HA2 GLY 75 HA2 GLY 75 33.401 -1.178 8.764 520 HA3 GLY 75 HA3 GLY 75 33.030 -2.876 8.503 521 H SER 76 H SER 76 34.394 -3.111 6.748 522 HA SER 76 HA SER 76 35.001 -3.113 4.556 523 HB2 SER 76 HB2 SER 76 32.566 -3.658 4.279 524 HB3 SER 76 HB3 SER 76 32.262 -1.939 4.030 525 HG SER 76 HG SER 76 34.007 -2.234 2.328 526 HA PRO 77 HA PRO 77 35.969 1.426 4.867 527 HB2 PRO 77 HB2 PRO 77 38.662 1.091 4.916 528 HB3 PRO 77 HB3 PRO 77 37.662 1.048 6.373 529 HG2 PRO 77 HG2 PRO 77 38.763 -1.224 4.765 530 HG3 PRO 77 HG3 PRO 77 38.690 -1.032 6.526 531 HD2 PRO 77 HD2 PRO 77 36.919 -2.551 5.151 532 HD3 PRO 77 HD3 PRO 77 36.478 -1.673 6.630 533 H SER 78 H SER 78 36.770 -1.192 2.781 534 HA SER 78 HA SER 78 37.596 0.703 0.680 535 HB2 SER 78 HB2 SER 78 39.392 -0.839 1.155 536 HB3 SER 78 HB3 SER 78 38.299 -2.218 1.038 537 HG SER 78 HG SER 78 39.720 -1.434 -0.871 538 HA PRO 79 HA PRO 79 33.451 -1.043 -0.499 539 HB2 PRO 79 HB2 PRO 79 32.397 1.343 -1.253 540 HB3 PRO 79 HB3 PRO 79 32.343 0.752 0.412 541 HG2 PRO 79 HG2 PRO 79 34.223 2.716 -0.842 542 HG3 PRO 79 HG3 PRO 79 33.421 2.787 0.738 543 HD2 PRO 79 HD2 PRO 79 36.002 2.022 0.448 544 HD3 PRO 79 HD3 PRO 79 34.949 1.367 1.718 545 HA PRO 80 HA PRO 80 34.183 -1.163 -4.833 546 HB2 PRO 80 HB2 PRO 80 31.675 -1.071 -5.870 547 HB3 PRO 80 HB3 PRO 80 32.314 -2.486 -5.026 548 HG2 PRO 80 HG2 PRO 80 30.516 -0.323 -4.002 549 HG3 PRO 80 HG3 PRO 80 30.416 -2.075 -3.747 550 HD2 PRO 80 HD2 PRO 80 31.437 -0.388 -1.891 551 HD3 PRO 80 HD3 PRO 80 32.021 -2.052 -2.093 552 H ALA 81 H ALA 81 33.109 -0.069 -6.981 553 HA ALA 81 HA ALA 81 33.149 2.840 -6.501 554 HB1 ALA 81 HB1 ALA 81 34.216 1.534 -8.989 555 HB2 ALA 81 HB2 ALA 81 34.460 3.188 -8.425 556 HB3 ALA 81 HB3 ALA 81 35.223 1.845 -7.574 557 H ASP 82 H ASP 82 31.626 4.058 -7.494 558 HA ASP 82 HA ASP 82 29.231 2.957 -8.337 559 HB2 ASP 82 HB2 ASP 82 29.894 5.418 -7.692 560 HB3 ASP 82 HB3 ASP 82 30.101 5.605 -9.431 561 H GLY 83 H GLY 83 28.705 1.836 -10.086 562 HA2 GLY 83 HA2 GLY 83 30.020 2.509 -12.636 563 HA3 GLY 83 HA3 GLY 83 29.939 0.837 -12.103 564 H GLY 84 H GLY 84 28.241 -0.340 -12.727 565 HA2 GLY 84 HA2 GLY 84 25.711 0.994 -13.340 566 HA3 GLY 84 HA3 GLY 84 26.497 0.121 -14.647 567 H SER 85 H SER 85 25.179 -1.578 -14.963 568 HA SER 85 HA SER 85 24.083 -3.539 -14.601 569 HB2 SER 85 HB2 SER 85 26.215 -3.624 -12.482 570 HB3 SER 85 HB3 SER 85 25.025 -4.919 -12.613 571 HG SER 85 HG SER 85 26.168 -5.672 -14.191 572 HA PRO 86 HA PRO 86 21.425 -1.497 -11.379 573 HB2 PRO 86 HB2 PRO 86 19.209 -1.381 -12.941 574 HB3 PRO 86 HB3 PRO 86 20.448 -0.121 -12.938 575 HG2 PRO 86 HG2 PRO 86 20.044 -2.376 -14.866 576 HG3 PRO 86 HG3 PRO 86 20.444 -0.680 -15.195 577 HD2 PRO 86 HD2 PRO 86 22.306 -2.646 -15.213 578 HD3 PRO 86 HD3 PRO 86 22.678 -0.983 -14.716 579 HA PRO 87 HA PRO 87 19.330 -5.141 -10.088 580 HB2 PRO 87 HB2 PRO 87 17.013 -4.170 -9.059 581 HB3 PRO 87 HB3 PRO 87 18.578 -3.960 -8.266 582 HG2 PRO 87 HG2 PRO 87 17.050 -2.038 -9.977 583 HG3 PRO 87 HG3 PRO 87 17.924 -1.738 -8.463 584 HD2 PRO 87 HD2 PRO 87 18.965 -1.138 -10.890 585 HD3 PRO 87 HD3 PRO 87 19.971 -1.643 -9.517 586 HA PRO 88 HA PRO 88 16.438 -6.646 -13.038 587 HB2 PRO 88 HB2 PRO 88 14.848 -8.267 -11.548 588 HB3 PRO 88 HB3 PRO 88 16.519 -8.672 -11.956 589 HG2 PRO 88 HG2 PRO 88 15.415 -7.514 -9.426 590 HG3 PRO 88 HG3 PRO 88 16.629 -8.790 -9.637 591 HD2 PRO 88 HD2 PRO 88 17.291 -6.231 -9.051 592 HD3 PRO 88 HD3 PRO 88 18.326 -7.283 -10.038 593 HA PRO 89 HA PRO 89 12.668 -4.385 -13.120 594 HB2 PRO 89 HB2 PRO 89 10.965 -6.099 -14.357 595 HB3 PRO 89 HB3 PRO 89 12.280 -5.273 -15.203 596 HG2 PRO 89 HG2 PRO 89 12.175 -8.068 -14.135 597 HG3 PRO 89 HG3 PRO 89 12.815 -7.485 -15.682 598 HD2 PRO 89 HD2 PRO 89 14.409 -8.067 -13.572 599 HD3 PRO 89 HD3 PRO 89 14.802 -6.790 -14.742 600 H ALA 90 H ALA 90 11.055 -3.941 -11.737 601 HA ALA 90 HA ALA 90 10.564 -5.407 -9.444 602 HB1 ALA 90 HB1 ALA 90 9.833 -2.955 -10.323 603 HB2 ALA 90 HB2 ALA 90 8.288 -3.805 -10.389 604 HB3 ALA 90 HB3 ALA 90 9.186 -3.724 -8.873 605 H ASP 91 H ASP 91 9.441 -7.187 -9.005 606 HA ASP 91 HA ASP 91 7.400 -8.071 -10.939 607 HB2 ASP 91 HB2 ASP 91 9.745 -9.469 -9.887 608 HB3 ASP 91 HB3 ASP 91 8.252 -10.383 -9.693 609 H GLY 92 H GLY 92 8.431 -9.238 -7.738 610 HA2 GLY 92 HA2 GLY 92 6.937 -8.442 -5.841 611 HA3 GLY 92 HA3 GLY 92 5.621 -8.985 -6.871 612 H GLY 93 H GLY 93 6.782 -11.359 -7.848 613 HA2 GLY 93 HA2 GLY 93 7.606 -13.461 -7.096 614 HA3 GLY 93 HA3 GLY 93 7.347 -12.937 -5.439 615 H SER 94 H SER 94 5.653 -13.771 -4.423 616 HA SER 94 HA SER 94 3.763 -14.984 -4.038 617 HB2 SER 94 HB2 SER 94 3.082 -12.876 -5.919 618 HB3 SER 94 HB3 SER 94 2.021 -14.273 -6.100 619 HG SER 94 HG SER 94 1.746 -14.142 -3.762 620 HA PRO 95 HA PRO 95 4.194 -16.708 -3.324 621 HB2 PRO 95 HB2 PRO 95 6.006 -18.726 -3.216 622 HB3 PRO 95 HB3 PRO 95 4.262 -19.005 -3.294 623 HG2 PRO 95 HG2 PRO 95 6.297 -19.103 -5.488 624 HG3 PRO 95 HG3 PRO 95 4.949 -20.208 -5.162 625 HD2 PRO 95 HD2 PRO 95 4.823 -18.278 -7.057 626 HD3 PRO 95 HD3 PRO 95 3.400 -18.810 -6.139 627 HA PRO 96 HA PRO 96 7.897 -14.351 -3.040 628 HB2 PRO 96 HB2 PRO 96 8.733 -14.951 -0.527 629 HB3 PRO 96 HB3 PRO 96 7.328 -13.928 -0.854 630 HG2 PRO 96 HG2 PRO 96 7.430 -16.831 -0.129 631 HG3 PRO 96 HG3 PRO 96 6.338 -15.567 0.466 632 HD2 PRO 96 HD2 PRO 96 5.605 -17.348 -1.437 633 HD3 PRO 96 HD3 PRO 96 4.984 -15.685 -1.395 634 H VAL 97 H VAL 97 10.260 -14.502 -2.538 635 HA VAL 97 HA VAL 97 12.294 -15.420 -2.994 636 HB VAL 97 HB VAL 97 11.111 -17.964 -1.877 637 HG11 VAL 97 HG11 VAL 97 13.718 -17.780 -1.054 638 HG12 VAL 97 HG12 VAL 97 13.140 -18.737 -2.419 639 HG13 VAL 97 HG13 VAL 97 13.785 -17.117 -2.687 640 HG21 VAL 97 HG21 VAL 97 12.241 -17.048 0.265 641 HG22 VAL 97 HG22 VAL 97 12.095 -15.479 -0.528 642 HG23 VAL 97 HG23 VAL 97 10.652 -16.435 -0.192 643 H ASP 98 H ASP 98 11.577 -15.184 -5.295 644 HA ASP 98 HA ASP 98 10.598 -17.336 -6.804 645 HB2 ASP 98 HB2 ASP 98 12.296 -14.964 -7.590 646 HB3 ASP 98 HB3 ASP 98 11.635 -16.108 -8.755 647 H GLY 99 H GLY 99 13.955 -16.112 -6.801 648 HA2 GLY 99 HA2 GLY 99 15.814 -17.599 -6.347 649 HA3 GLY 99 HA3 GLY 99 14.861 -18.909 -7.029 650 H GLY 100 H GLY 100 16.660 -15.977 -7.794 651 HA2 GLY 100 HA2 GLY 100 18.220 -16.009 -9.633 652 HA3 GLY 100 HA3 GLY 100 17.126 -17.091 -10.482 653 H SER 101 H SER 101 14.816 -16.027 -10.703 654 HA SER 101 HA SER 101 13.577 -14.488 -11.831 655 HB2 SER 101 HB2 SER 101 13.886 -13.188 -9.769 656 HB3 SER 101 HB3 SER 101 15.397 -12.534 -10.401 657 HG SER 101 HG SER 101 13.555 -11.141 -10.688 658 HA PRO 102 HA PRO 102 16.936 -14.106 -15.041 659 HB2 PRO 102 HB2 PRO 102 15.659 -15.605 -16.910 660 HB3 PRO 102 HB3 PRO 102 16.717 -16.303 -15.679 661 HG2 PRO 102 HG2 PRO 102 13.729 -16.128 -15.730 662 HG3 PRO 102 HG3 PRO 102 14.762 -17.487 -15.252 663 HD2 PRO 102 HD2 PRO 102 13.585 -15.847 -13.448 664 HD3 PRO 102 HD3 PRO 102 15.161 -16.611 -13.157 665 HA PRO 103 HA PRO 103 17.161 -14.443 -17.537 666 HB2 PRO 103 HB2 PRO 103 18.398 -12.503 -18.978 667 HB3 PRO 103 HB3 PRO 103 17.043 -13.448 -19.605 668 HG2 PRO 103 HG2 PRO 103 17.048 -10.696 -18.427 669 HG3 PRO 103 HG3 PRO 103 16.189 -11.300 -19.856 670 HD2 PRO 103 HD2 PRO 103 14.976 -10.975 -17.457 671 HD3 PRO 103 HD3 PRO 103 14.507 -12.251 -18.599 672 HA PRO 104 HA PRO 104 20.340 -13.256 -14.740 673 HB2 PRO 104 HB2 PRO 104 22.603 -13.846 -16.118 674 HB3 PRO 104 HB3 PRO 104 21.532 -15.085 -15.455 675 HG2 PRO 104 HG2 PRO 104 21.713 -14.039 -18.253 676 HG3 PRO 104 HG3 PRO 104 21.540 -15.713 -17.694 677 HD2 PRO 104 HD2 PRO 104 19.448 -14.261 -18.613 678 HD3 PRO 104 HD3 PRO 104 19.271 -15.496 -17.350 679 HA PRO 105 HA PRO 105 21.916 -9.218 -15.478 680 HB2 PRO 105 HB2 PRO 105 24.302 -9.259 -14.184 681 HB3 PRO 105 HB3 PRO 105 22.751 -9.246 -13.337 682 HG2 PRO 105 HG2 PRO 105 24.564 -11.552 -13.934 683 HG3 PRO 105 HG3 PRO 105 23.686 -11.177 -12.439 684 HD2 PRO 105 HD2 PRO 105 22.808 -13.016 -14.221 685 HD3 PRO 105 HD3 PRO 105 21.702 -12.033 -13.241 686 H SER 106 H SER 106 24.224 -8.113 -15.983 687 HA SER 106 HA SER 106 24.936 -9.123 -18.588 688 HB2 SER 106 HB2 SER 106 24.662 -6.640 -17.833 689 HB3 SER 106 HB3 SER 106 26.319 -6.813 -17.255 690 HG SER 106 HG SER 106 25.516 -7.449 -19.897 691 H THR 107 H THR 107 26.538 -8.679 -15.466 692 HA THR 107 HA THR 107 28.734 -10.390 -16.440 693 HB THR 107 HB THR 107 29.679 -8.230 -16.090 694 HG1 THR 107 HG1 THR 107 30.888 -9.973 -15.186 695 HG21 THR 107 HG21 THR 107 27.741 -8.091 -13.947 696 HG22 THR 107 HG22 THR 107 28.608 -6.790 -14.763 697 HG23 THR 107 HG23 THR 107 29.345 -7.616 -13.391 698 H HIS 108 H HIS 108 29.127 -12.199 -15.323 699 HA HIS 108 HA HIS 108 28.508 -12.436 -12.522 700 HB2 HIS 108 HB2 HIS 108 26.301 -12.847 -13.598 701 HB3 HIS 108 HB3 HIS 108 27.015 -14.192 -14.482 702 HD1 HIS 108 HD1 HIS 108 26.946 -16.409 -13.355 703 HD2 HIS 108 HD2 HIS 108 26.338 -13.278 -10.693 704 HE1 HIS 108 HE1 HIS 108 26.365 -17.494 -11.162 Start of MODEL 3 1 H1 ALA 1 H ALA 1 0.891 2.862 -2.823 2 HA ALA 1 HA ALA 1 2.620 3.716 -1.055 3 HB1 ALA 1 HB1 ALA 1 0.267 2.160 -0.849 4 HB2 ALA 1 HB2 ALA 1 1.433 1.518 0.308 5 HB3 ALA 1 HB3 ALA 1 0.987 3.223 0.360 6 H GLY 2 H GLY 2 4.383 3.110 0.135 7 HA2 GLY 2 HA2 GLY 2 5.336 0.602 0.705 8 HA3 GLY 2 HA3 GLY 2 5.964 0.955 -0.898 9 H SER 3 H SER 3 7.092 0.737 1.975 10 HA SER 3 HA SER 3 9.254 2.485 1.622 11 HB2 SER 3 HB2 SER 3 7.092 3.918 2.472 12 HB3 SER 3 HB3 SER 3 7.844 3.492 4.009 13 HG SER 3 HG SER 3 8.674 5.449 3.161 14 H LYS 4 H LYS 4 10.528 0.804 2.234 15 HA LYS 4 HA LYS 4 10.752 0.295 5.063 16 HB2 LYS 4 HB2 LYS 4 10.404 -2.055 5.027 17 HB3 LYS 4 HB3 LYS 4 9.012 -1.337 4.228 18 HG2 LYS 4 HG2 LYS 4 9.368 -2.722 2.539 19 HG3 LYS 4 HG3 LYS 4 10.842 -1.818 2.185 20 HD2 LYS 4 HD2 LYS 4 11.911 -3.754 2.531 21 HD3 LYS 4 HD3 LYS 4 11.619 -3.458 4.246 22 HE2 LYS 4 HE2 LYS 4 9.268 -4.585 3.516 23 HE3 LYS 4 HE3 LYS 4 10.377 -5.400 2.414 24 HZ1 LYS 4 HZ1 LYS 4 11.271 -6.575 4.071 25 HZ2 LYS 4 HZ2 LYS 4 9.893 -6.151 4.956 26 HZ3 LYS 4 HZ3 LYS 4 11.319 -5.258 5.133 27 H LEU 5 H LEU 5 12.413 -1.875 5.054 28 HA LEU 5 HA LEU 5 14.574 -1.202 3.185 29 HB2 LEU 5 HB2 LEU 5 14.534 -0.712 6.004 30 HB3 LEU 5 HB3 LEU 5 15.766 -1.918 5.638 31 HG LEU 5 HG LEU 5 16.020 0.223 3.775 32 HD11 LEU 5 HD11 LEU 5 14.940 1.729 5.229 33 HD12 LEU 5 HD12 LEU 5 16.667 1.981 5.478 34 HD13 LEU 5 HD13 LEU 5 15.735 1.051 6.650 35 HD21 LEU 5 HD21 LEU 5 17.652 -1.011 5.955 36 HD22 LEU 5 HD22 LEU 5 18.220 0.447 5.141 37 HD23 LEU 5 HD23 LEU 5 17.918 -1.022 4.211 38 H CYS 6 H CYS 6 15.949 -2.892 2.639 39 HA CYS 6 HA CYS 6 15.120 -5.553 3.600 40 HB2 CYS 6 HB2 CYS 6 15.930 -4.675 0.827 41 HB3 CYS 6 HB3 CYS 6 15.854 -6.366 1.311 42 H GLU 7 H GLU 7 16.664 -6.791 4.456 43 HA GLU 7 HA GLU 7 19.472 -6.039 3.973 44 HB2 GLU 7 HB2 GLU 7 19.073 -5.427 6.208 45 HB3 GLU 7 HB3 GLU 7 18.087 -6.850 6.514 46 HG2 GLU 7 HG2 GLU 7 19.857 -8.137 7.002 47 HG3 GLU 7 HG3 GLU 7 20.867 -7.406 5.756 48 H LYS 8 H LYS 8 20.890 -7.635 3.485 49 HA LYS 8 HA LYS 8 19.781 -10.352 3.247 50 HB2 LYS 8 HB2 LYS 8 22.106 -9.143 1.739 51 HB3 LYS 8 HB3 LYS 8 21.393 -10.727 1.464 52 HG2 LYS 8 HG2 LYS 8 19.498 -8.500 1.293 53 HG3 LYS 8 HG3 LYS 8 20.777 -8.478 0.076 54 HD2 LYS 8 HD2 LYS 8 20.177 -10.634 -0.718 55 HD3 LYS 8 HD3 LYS 8 19.112 -10.918 0.661 56 HE2 LYS 8 HE2 LYS 8 17.412 -9.760 -0.255 57 HE3 LYS 8 HE3 LYS 8 18.479 -8.526 -0.923 58 HZ1 LYS 8 HZ1 LYS 8 17.606 -9.608 -2.771 59 HZ2 LYS 8 HZ2 LYS 8 17.750 -11.144 -2.079 60 HZ3 LYS 8 HZ3 LYS 8 19.132 -10.316 -2.592 61 H THR 9 H THR 9 20.986 -12.125 3.921 62 HA THR 9 HA THR 9 23.325 -11.496 5.602 63 HB THR 9 HB THR 9 21.599 -13.872 6.183 64 HG1 THR 9 HG1 THR 9 21.081 -11.417 7.464 65 HG21 THR 9 HG21 THR 9 22.337 -12.998 8.556 66 HG22 THR 9 HG22 THR 9 23.584 -12.172 7.622 67 HG23 THR 9 HG23 THR 9 23.447 -13.929 7.551 68 H SER 10 H SER 10 24.160 -11.956 3.241 69 HA SER 10 HA SER 10 25.316 -13.306 1.813 70 HB2 SER 10 HB2 SER 10 26.092 -13.939 4.484 71 HB3 SER 10 HB3 SER 10 26.082 -15.435 3.549 72 HG SER 10 HG SER 10 28.066 -14.542 3.236 73 H LYS 11 H LYS 11 22.456 -13.859 2.211 74 HA LYS 11 HA LYS 11 21.986 -16.648 2.224 75 HB2 LYS 11 HB2 LYS 11 19.780 -15.998 1.179 76 HB3 LYS 11 HB3 LYS 11 20.151 -15.216 2.709 77 HG2 LYS 11 HG2 LYS 11 19.229 -13.573 1.270 78 HG3 LYS 11 HG3 LYS 11 20.956 -13.239 1.411 79 HD2 LYS 11 HD2 LYS 11 21.335 -13.648 -0.770 80 HD3 LYS 11 HD3 LYS 11 20.233 -15.026 -0.803 81 HE2 LYS 11 HE2 LYS 11 18.729 -12.624 -0.432 82 HE3 LYS 11 HE3 LYS 11 19.810 -12.421 -1.809 83 HZ1 LYS 11 HZ1 LYS 11 18.890 -14.304 -2.867 84 HZ2 LYS 11 HZ2 LYS 11 17.577 -13.386 -2.327 85 HZ3 LYS 11 HZ3 LYS 11 18.041 -14.776 -1.482 86 H THR 12 H THR 12 23.399 -14.642 -0.085 87 HA THR 12 HA THR 12 23.383 -16.798 -2.035 88 HB THR 12 HB THR 12 21.414 -15.279 -2.562 89 HG1 THR 12 HG1 THR 12 22.348 -16.611 -4.162 90 HG21 THR 12 HG21 THR 12 23.433 -13.380 -3.692 91 HG22 THR 12 HG22 THR 12 22.895 -13.203 -2.022 92 HG23 THR 12 HG23 THR 12 21.726 -13.118 -3.339 93 H TYR 13 H TYR 13 25.301 -15.337 -0.268 94 HA TYR 13 HA TYR 13 26.993 -13.816 -2.024 95 HB2 TYR 13 HB2 TYR 13 27.036 -13.193 0.273 96 HB3 TYR 13 HB3 TYR 13 27.333 -14.849 0.790 97 HD1 TYR 13 HD1 TYR 13 28.873 -12.041 -1.105 98 HD2 TYR 13 HD2 TYR 13 29.518 -15.600 1.135 99 HE1 TYR 13 HE1 TYR 13 31.294 -11.604 -1.119 100 HE2 TYR 13 HE2 TYR 13 31.940 -15.172 1.129 101 HH TYR 13 HH TYR 13 33.365 -12.705 -0.831 102 H SER 14 H SER 14 27.894 -16.638 -0.059 103 HA SER 14 HA SER 14 29.171 -18.467 -0.506 104 HB2 SER 14 HB2 SER 14 28.785 -18.107 -3.457 105 HB3 SER 14 HB3 SER 14 28.831 -19.594 -2.510 106 HG SER 14 HG SER 14 26.704 -18.846 -3.304 107 H GLY 15 H GLY 15 31.244 -18.092 -0.043 108 HA2 GLY 15 HA2 GLY 15 33.239 -17.787 -1.899 109 HA3 GLY 15 HA3 GLY 15 32.817 -16.144 -1.438 110 H LYS 16 H LYS 16 35.190 -16.328 -0.811 111 HA LYS 16 HA LYS 16 35.642 -17.693 1.720 112 HB2 LYS 16 HB2 LYS 16 37.967 -17.000 1.456 113 HB3 LYS 16 HB3 LYS 16 37.384 -17.777 -0.010 114 HG2 LYS 16 HG2 LYS 16 37.029 -14.884 -0.019 115 HG3 LYS 16 HG3 LYS 16 38.714 -15.391 0.116 116 HD2 LYS 16 HD2 LYS 16 38.220 -16.958 -1.838 117 HD3 LYS 16 HD3 LYS 16 36.733 -16.030 -2.054 118 HE2 LYS 16 HE2 LYS 16 37.841 -14.163 -2.761 119 HE3 LYS 16 HE3 LYS 16 39.282 -14.526 -1.814 120 HZ1 LYS 16 HZ1 LYS 16 40.119 -15.878 -3.429 121 HZ2 LYS 16 HZ2 LYS 16 39.279 -14.777 -4.400 122 HZ3 LYS 16 HZ3 LYS 16 38.602 -16.288 -4.055 123 H CYS 17 H CYS 17 34.019 -15.070 1.094 124 HA CYS 17 HA CYS 17 33.448 -13.201 2.256 125 HB2 CYS 17 HB2 CYS 17 33.376 -14.554 4.232 126 HB3 CYS 17 HB3 CYS 17 35.132 -14.553 4.367 127 H ASP 18 H ASP 18 34.149 -11.102 2.457 128 HA ASP 18 HA ASP 18 36.823 -10.328 2.911 129 HB2 ASP 18 HB2 ASP 18 36.543 -11.316 0.381 130 HB3 ASP 18 HB3 ASP 18 36.230 -9.602 0.120 131 H ASN 19 H ASN 19 36.922 -7.955 1.454 132 HA ASN 19 HA ASN 19 34.792 -6.456 2.780 133 HB2 ASN 19 HB2 ASN 19 36.884 -5.548 3.332 134 HB3 ASN 19 HB3 ASN 19 37.494 -5.716 1.688 135 HD21 ASN 19 HD22 ASN 19 38.061 -3.638 1.334 136 HD22 ASN 19 HD21 ASN 19 36.940 -2.324 1.287 137 H LYS 20 H LYS 20 36.551 -5.961 -0.279 138 HA LYS 20 HA LYS 20 34.379 -4.620 -1.510 139 HB2 LYS 20 HB2 LYS 20 36.970 -4.644 -2.041 140 HB3 LYS 20 HB3 LYS 20 36.507 -5.935 -3.142 141 HG2 LYS 20 HG2 LYS 20 34.728 -3.702 -3.434 142 HG3 LYS 20 HG3 LYS 20 36.406 -3.179 -3.598 143 HD2 LYS 20 HD2 LYS 20 36.738 -4.389 -5.497 144 HD3 LYS 20 HD3 LYS 20 35.621 -5.666 -5.008 145 HE2 LYS 20 HE2 LYS 20 33.970 -4.748 -6.181 146 HE3 LYS 20 HE3 LYS 20 34.209 -3.190 -5.391 147 HZ1 LYS 20 HZ1 LYS 20 35.961 -4.086 -7.596 148 HZ2 LYS 20 HZ2 LYS 20 35.714 -2.516 -7.018 149 HZ3 LYS 20 HZ3 LYS 20 34.497 -3.293 -7.900 150 H LYS 21 H LYS 21 35.511 -7.949 -1.552 151 HA LYS 21 HA LYS 21 33.950 -8.904 -3.674 152 HB2 LYS 21 HB2 LYS 21 34.972 -10.303 -1.199 153 HB3 LYS 21 HB3 LYS 21 34.211 -11.136 -2.549 154 HG2 LYS 21 HG2 LYS 21 36.763 -9.540 -2.640 155 HG3 LYS 21 HG3 LYS 21 36.612 -11.297 -2.715 156 HD2 LYS 21 HD2 LYS 21 36.715 -10.924 -4.943 157 HD3 LYS 21 HD3 LYS 21 34.989 -10.607 -4.747 158 HE2 LYS 21 HE2 LYS 21 35.294 -8.540 -5.497 159 HE3 LYS 21 HE3 LYS 21 36.372 -8.212 -4.141 160 HZ1 LYS 21 HZ1 LYS 21 37.245 -9.476 -6.680 161 HZ2 LYS 21 HZ2 LYS 21 38.232 -8.940 -5.416 162 HZ3 LYS 21 HZ3 LYS 21 37.378 -7.821 -6.355 163 H CYS 22 H CYS 22 33.247 -8.629 -0.214 164 HA CYS 22 HA CYS 22 30.693 -9.867 -0.358 165 HB2 CYS 22 HB2 CYS 22 32.367 -8.701 1.667 166 HB3 CYS 22 HB3 CYS 22 30.726 -8.086 1.835 167 H ASP 23 H ASP 23 31.620 -6.446 0.046 168 HA ASP 23 HA ASP 23 29.088 -5.336 -0.137 169 HB2 ASP 23 HB2 ASP 23 31.388 -4.234 0.382 170 HB3 ASP 23 HB3 ASP 23 31.465 -3.964 -1.357 171 H LYS 24 H LYS 24 31.408 -5.992 -2.747 172 HA LYS 24 HA LYS 24 29.797 -4.998 -4.840 173 HB2 LYS 24 HB2 LYS 24 32.162 -5.296 -5.182 174 HB3 LYS 24 HB3 LYS 24 32.044 -7.017 -4.836 175 HG2 LYS 24 HG2 LYS 24 30.736 -7.353 -6.857 176 HG3 LYS 24 HG3 LYS 24 30.799 -5.622 -7.197 177 HD2 LYS 24 HD2 LYS 24 32.979 -5.692 -7.860 178 HD3 LYS 24 HD3 LYS 24 33.378 -7.028 -6.777 179 HE2 LYS 24 HE2 LYS 24 32.035 -8.521 -8.276 180 HE3 LYS 24 HE3 LYS 24 31.900 -7.169 -9.400 181 HZ1 LYS 24 HZ1 LYS 24 33.706 -8.454 -10.133 182 HZ2 LYS 24 HZ2 LYS 24 34.350 -8.612 -8.577 183 HZ3 LYS 24 HZ3 LYS 24 34.403 -7.116 -9.366 184 H LYS 25 H LYS 25 30.319 -8.308 -3.644 185 HA LYS 25 HA LYS 25 28.606 -9.602 -5.444 186 HB2 LYS 25 HB2 LYS 25 30.253 -10.759 -4.004 187 HB3 LYS 25 HB3 LYS 25 29.259 -10.396 -2.599 188 HG2 LYS 25 HG2 LYS 25 27.788 -12.035 -3.051 189 HG3 LYS 25 HG3 LYS 25 27.882 -11.785 -4.796 190 HD2 LYS 25 HD2 LYS 25 30.391 -12.741 -4.134 191 HD3 LYS 25 HD3 LYS 25 29.304 -13.674 -3.102 192 HE2 LYS 25 HE2 LYS 25 28.082 -14.479 -4.966 193 HE3 LYS 25 HE3 LYS 25 28.846 -13.323 -6.055 194 HZ1 LYS 25 HZ1 LYS 25 30.975 -14.475 -5.630 195 HZ2 LYS 25 HZ2 LYS 25 29.826 -15.458 -6.388 196 HZ3 LYS 25 HZ3 LYS 25 30.141 -15.645 -4.736 197 H CYS 26 H CYS 26 27.936 -7.635 -2.705 198 HA CYS 26 HA CYS 26 25.320 -8.660 -2.159 199 HB2 CYS 26 HB2 CYS 26 26.870 -6.238 -1.306 200 HB3 CYS 26 HB3 CYS 26 25.145 -6.336 -0.972 201 H ILE 27 H ILE 27 26.507 -5.693 -3.736 202 HA ILE 27 HA ILE 27 23.879 -4.965 -4.641 203 HB ILE 27 HB ILE 27 26.497 -3.828 -5.614 204 HG12 ILE 27 HG12 ILE 27 25.243 -2.186 -3.634 205 HG13 ILE 27 HG13 ILE 27 25.458 -3.801 -2.969 206 HG21 ILE 27 HG21 ILE 27 23.637 -2.990 -5.732 207 HG22 ILE 27 HG22 ILE 27 24.901 -1.762 -5.702 208 HG23 ILE 27 HG23 ILE 27 24.870 -2.964 -6.992 209 HD11 ILE 27 HD11 ILE 27 27.475 -1.790 -3.766 210 HD12 ILE 27 HD12 ILE 27 27.450 -2.894 -2.391 211 HD13 ILE 27 HD13 ILE 27 27.877 -3.491 -3.994 212 H GLU 28 H GLU 28 26.347 -7.015 -5.780 213 HA GLU 28 HA GLU 28 25.673 -6.787 -8.579 214 HB2 GLU 28 HB2 GLU 28 27.557 -8.480 -6.981 215 HB3 GLU 28 HB3 GLU 28 27.156 -8.944 -8.628 216 HG2 GLU 28 HG2 GLU 28 27.772 -6.241 -8.792 217 HG3 GLU 28 HG3 GLU 28 28.959 -6.908 -7.672 218 H TRP 29 H TRP 29 25.158 -9.132 -5.973 219 HA TRP 29 HA TRP 29 23.311 -10.610 -7.714 220 HB2 TRP 29 HB2 TRP 29 24.784 -11.362 -5.195 221 HB3 TRP 29 HB3 TRP 29 23.439 -12.322 -5.804 222 HD1 TRP 29 HD1 TRP 29 25.941 -10.764 -8.238 223 HE1 TRP 29 HE1 TRP 29 27.274 -12.652 -9.371 224 HE3 TRP 29 HE3 TRP 29 24.266 -14.718 -5.464 225 HZ2 TRP 29 HZ2 TRP 29 27.575 -15.448 -9.122 226 HZ3 TRP 29 HZ3 TRP 29 25.125 -16.966 -5.976 227 HH2 TRP 29 HH2 TRP 29 26.745 -17.321 -7.768 228 H GLU 30 H GLU 30 23.552 -9.334 -4.398 229 HA GLU 30 HA GLU 30 20.706 -9.643 -3.985 230 HB2 GLU 30 HB2 GLU 30 22.455 -8.080 -2.132 231 HB3 GLU 30 HB3 GLU 30 21.094 -9.129 -1.761 232 HG2 GLU 30 HG2 GLU 30 22.500 -11.076 -2.404 233 HG3 GLU 30 HG3 GLU 30 23.863 -9.971 -2.576 234 H LYS 31 H LYS 31 22.558 -7.437 -5.583 235 HA LYS 31 HA LYS 31 22.343 -5.235 -6.171 236 HB2 LYS 31 HB2 LYS 31 19.386 -5.782 -5.948 237 HB3 LYS 31 HB3 LYS 31 20.198 -4.671 -7.043 238 HG2 LYS 31 HG2 LYS 31 20.227 -7.677 -7.126 239 HG3 LYS 31 HG3 LYS 31 19.514 -6.568 -8.300 240 HD2 LYS 31 HD2 LYS 31 22.454 -6.862 -7.680 241 HD3 LYS 31 HD3 LYS 31 21.628 -7.454 -9.124 242 HE2 LYS 31 HE2 LYS 31 22.012 -4.586 -8.280 243 HE3 LYS 31 HE3 LYS 31 22.742 -5.398 -9.664 244 HZ1 LYS 31 HZ1 LYS 31 20.284 -5.782 -10.337 245 HZ2 LYS 31 HZ2 LYS 31 21.003 -4.279 -10.627 246 HZ3 LYS 31 HZ3 LYS 31 19.972 -4.480 -9.301 247 H ALA 32 H ALA 32 22.600 -5.651 -3.343 248 HA ALA 32 HA ALA 32 20.743 -3.919 -1.996 249 HB1 ALA 32 HB1 ALA 32 21.956 -4.380 -0.025 250 HB2 ALA 32 HB2 ALA 32 21.958 -5.879 -0.955 251 HB3 ALA 32 HB3 ALA 32 23.393 -4.856 -0.930 252 H GLN 33 H GLN 33 22.283 -2.397 -0.335 253 HA GLN 33 HA GLN 33 23.437 -0.447 -2.207 254 HB2 GLN 33 HB2 GLN 33 21.496 -0.136 -0.250 255 HB3 GLN 33 HB3 GLN 33 22.947 0.516 0.498 256 HG2 GLN 33 HG2 GLN 33 22.073 1.340 -2.248 257 HG3 GLN 33 HG3 GLN 33 21.459 2.123 -0.793 258 HE21 GLN 33 HE22 GLN 33 23.940 2.013 -3.065 259 HE22 GLN 33 HE21 GLN 33 25.041 3.094 -2.289 260 H HIS 34 H HIS 34 23.934 -1.856 1.017 261 HA HIS 34 HA HIS 34 26.819 -1.554 0.638 262 HB2 HIS 34 HB2 HIS 34 25.563 0.289 2.137 263 HB3 HIS 34 HB3 HIS 34 25.808 -0.950 3.364 264 HD1 HIS 34 HD1 HIS 34 28.034 0.567 0.661 265 HD2 HIS 34 HD2 HIS 34 28.091 -0.436 4.693 266 HE1 HIS 34 HE1 HIS 34 30.326 1.199 1.479 267 H GLY 35 H GLY 35 28.030 -3.185 1.504 268 HA2 GLY 35 HA2 GLY 35 26.628 -5.170 3.172 269 HA3 GLY 35 HA3 GLY 35 27.497 -5.683 1.733 270 H ALA 36 H ALA 36 27.911 -6.391 4.560 271 HA ALA 36 HA ALA 36 30.766 -5.743 4.670 272 HB1 ALA 36 HB1 ALA 36 30.358 -4.310 6.344 273 HB2 ALA 36 HB2 ALA 36 28.741 -4.954 6.633 274 HB3 ALA 36 HB3 ALA 36 30.149 -5.763 7.322 275 H CYS 37 H CYS 37 31.985 -7.212 6.086 276 HA CYS 37 HA CYS 37 30.673 -9.839 6.333 277 HB2 CYS 37 HB2 CYS 37 32.603 -9.349 4.541 278 HB3 CYS 37 HB3 CYS 37 33.616 -9.714 5.933 279 H HIS 38 H HIS 38 31.324 -11.168 8.069 280 HA HIS 38 HA HIS 38 33.138 -10.096 10.061 281 HB2 HIS 38 HB2 HIS 38 31.002 -9.015 10.632 282 HB3 HIS 38 HB3 HIS 38 30.225 -10.593 10.715 283 HD1 HIS 38 HD1 HIS 38 30.384 -11.837 12.891 284 HD2 HIS 38 HD2 HIS 38 32.930 -8.558 12.733 285 HE1 HIS 38 HE1 HIS 38 31.309 -11.591 15.217 286 H LYS 39 H LYS 39 33.707 -11.634 11.695 287 HA LYS 39 HA LYS 39 33.487 -14.372 10.736 288 HB2 LYS 39 HB2 LYS 39 35.700 -13.539 11.337 289 HB3 LYS 39 HB3 LYS 39 35.140 -13.166 12.962 290 HG2 LYS 39 HG2 LYS 39 34.847 -15.961 12.022 291 HG3 LYS 39 HG3 LYS 39 36.473 -15.382 12.392 292 HD2 LYS 39 HD2 LYS 39 34.551 -14.611 14.425 293 HD3 LYS 39 HD3 LYS 39 34.611 -16.361 14.201 294 HE2 LYS 39 HE2 LYS 39 36.255 -16.007 15.790 295 HE3 LYS 39 HE3 LYS 39 37.181 -16.031 14.289 296 HZ1 LYS 39 HZ1 LYS 39 36.181 -13.450 15.229 297 HZ2 LYS 39 HZ2 LYS 39 37.614 -13.820 14.410 298 HZ3 LYS 39 HZ3 LYS 39 37.482 -14.136 16.067 299 H ARG 40 H ARG 40 32.012 -15.726 11.497 300 HA ARG 40 HA ARG 40 31.120 -15.435 14.282 301 HB2 ARG 40 HB2 ARG 40 29.549 -14.814 12.071 302 HB3 ARG 40 HB3 ARG 40 29.025 -16.429 12.527 303 HG2 ARG 40 HG2 ARG 40 27.661 -15.354 13.931 304 HG3 ARG 40 HG3 ARG 40 29.098 -15.196 14.944 305 HD2 ARG 40 HD2 ARG 40 29.325 -12.985 14.510 306 HD3 ARG 40 HD3 ARG 40 28.741 -13.142 12.854 307 HE ARG 40 HE ARG 40 26.658 -12.589 13.596 308 HH11 ARG 40 HH12 ARG 40 28.544 -13.701 16.303 309 HH12 ARG 40 HH11 ARG 40 27.324 -13.326 17.475 310 HH21 ARG 40 HH22 ARG 40 25.044 -12.091 15.129 311 HH22 ARG 40 HH21 ARG 40 25.333 -12.411 16.806 312 H GLU 41 H GLU 41 29.723 -17.468 14.863 313 HA GLU 41 HA GLU 41 29.804 -19.685 15.376 314 HB2 GLU 41 HB2 GLU 41 30.555 -20.121 12.490 315 HB3 GLU 41 HB3 GLU 41 29.666 -21.204 13.551 316 HG2 GLU 41 HG2 GLU 41 28.723 -18.636 12.319 317 HG3 GLU 41 HG3 GLU 41 28.094 -20.263 12.067 318 H ALA 42 H ALA 42 31.295 -21.810 14.589 319 HA ALA 42 HA ALA 42 33.681 -21.509 15.982 320 HB1 ALA 42 HB1 ALA 42 33.195 -23.708 15.863 321 HB2 ALA 42 HB2 ALA 42 32.503 -23.580 14.245 322 HB3 ALA 42 HB3 ALA 42 34.253 -23.647 14.453 323 H GLY 43 H GLY 43 32.969 -21.023 12.588 324 HA2 GLY 43 HA2 GLY 43 35.260 -19.440 12.154 325 HA3 GLY 43 HA3 GLY 43 35.567 -21.061 11.548 326 H LYS 44 H LYS 44 32.414 -19.526 11.519 327 HA LYS 44 HA LYS 44 32.522 -19.537 8.577 328 HB2 LYS 44 HB2 LYS 44 30.179 -19.780 10.469 329 HB3 LYS 44 HB3 LYS 44 30.012 -19.593 8.728 330 HG2 LYS 44 HG2 LYS 44 30.667 -21.720 8.295 331 HG3 LYS 44 HG3 LYS 44 31.749 -21.789 9.688 332 HD2 LYS 44 HD2 LYS 44 29.325 -21.571 10.903 333 HD3 LYS 44 HD3 LYS 44 28.907 -22.499 9.461 334 HE2 LYS 44 HE2 LYS 44 31.003 -23.911 10.117 335 HE3 LYS 44 HE3 LYS 44 30.745 -23.203 11.711 336 HZ1 LYS 44 HZ1 LYS 44 28.316 -24.191 10.603 337 HZ2 LYS 44 HZ2 LYS 44 29.052 -24.568 12.078 338 HZ3 LYS 44 HZ3 LYS 44 29.487 -25.410 10.676 339 H GLU 45 H GLU 45 32.636 -17.625 7.620 340 HA GLU 45 HA GLU 45 32.106 -15.204 9.117 341 HB2 GLU 45 HB2 GLU 45 33.539 -15.926 6.661 342 HB3 GLU 45 HB3 GLU 45 32.674 -14.399 6.553 343 HG2 GLU 45 HG2 GLU 45 34.024 -13.365 8.041 344 HG3 GLU 45 HG3 GLU 45 34.298 -14.831 8.981 345 H SER 46 H SER 46 30.391 -13.887 8.907 346 HA SER 46 HA SER 46 28.317 -14.683 6.975 347 HB2 SER 46 HB2 SER 46 28.003 -13.171 9.581 348 HB3 SER 46 HB3 SER 46 26.693 -13.662 8.506 349 HG SER 46 HG SER 46 27.073 -15.100 10.307 350 H CYS 47 H CYS 47 27.346 -13.168 5.674 351 HA CYS 47 HA CYS 47 28.629 -10.515 5.633 352 HB2 CYS 47 HB2 CYS 47 28.769 -12.294 3.646 353 HB3 CYS 47 HB3 CYS 47 27.226 -11.560 3.223 354 H PHE 48 H PHE 48 27.363 -8.910 6.263 355 HA PHE 48 HA PHE 48 24.453 -9.180 5.895 356 HB2 PHE 48 HB2 PHE 48 24.367 -7.420 7.758 357 HB3 PHE 48 HB3 PHE 48 24.841 -9.053 8.216 358 HD1 PHE 48 HD2 PHE 48 27.194 -9.562 8.726 359 HD2 PHE 48 HD1 PHE 48 25.872 -5.591 7.948 360 HE1 PHE 48 HE2 PHE 48 29.262 -8.681 9.727 361 HE2 PHE 48 HE1 PHE 48 27.938 -4.704 8.948 362 HZ PHE 48 HZ PHE 48 29.636 -6.250 9.840 363 H CYS 49 H CYS 49 23.492 -7.819 4.543 364 HA CYS 49 HA CYS 49 24.828 -5.272 3.914 365 HB2 CYS 49 HB2 CYS 49 23.254 -6.785 1.850 366 HB3 CYS 49 HB3 CYS 49 24.455 -5.520 1.614 367 H TYR 50 H TYR 50 23.481 -3.516 3.442 368 HA TYR 50 HA TYR 50 20.631 -3.920 4.073 369 HB2 TYR 50 HB2 TYR 50 20.593 -2.132 5.517 370 HB3 TYR 50 HB3 TYR 50 22.236 -2.701 5.790 371 HD1 TYR 50 HD2 TYR 50 20.174 -0.071 4.285 372 HD2 TYR 50 HD1 TYR 50 24.142 -1.423 5.013 373 HE1 TYR 50 HE2 TYR 50 21.036 2.151 3.676 374 HE2 TYR 50 HE1 TYR 50 25.015 0.795 4.408 375 HH TYR 50 HH TYR 50 22.843 3.484 3.661 376 H PHE 51 H PHE 51 19.157 -2.883 2.816 377 HA PHE 51 HA PHE 51 20.034 -0.867 0.909 378 HB2 PHE 51 HB2 PHE 51 20.404 -2.778 -0.440 379 HB3 PHE 51 HB3 PHE 51 18.928 -3.556 0.121 380 HD1 PHE 51 HD2 PHE 51 19.906 -0.352 -1.530 381 HD2 PHE 51 HD1 PHE 51 17.210 -3.642 -1.384 382 HE1 PHE 51 HE2 PHE 51 18.695 0.558 -3.469 383 HE2 PHE 51 HE1 PHE 51 15.996 -2.738 -3.324 384 HZ PHE 51 HZ PHE 51 16.737 -0.634 -4.368 385 H ASP 52 H ASP 52 18.380 0.453 0.150 386 HA ASP 52 HA ASP 52 16.063 0.584 1.833 387 HB2 ASP 52 HB2 ASP 52 15.471 2.528 0.286 388 HB3 ASP 52 HB3 ASP 52 16.967 2.675 1.203 389 H CYS 53 H CYS 53 14.121 -0.270 1.490 390 HA CYS 53 HA CYS 53 13.523 -1.328 -1.194 391 HB2 CYS 53 HB2 CYS 53 13.246 -2.457 1.488 392 HB3 CYS 53 HB3 CYS 53 11.765 -2.572 0.542 393 H SER 54 H SER 54 11.371 -1.163 -1.976 394 HA SER 54 HA SER 54 9.552 0.105 -2.525 395 HB2 SER 54 HB2 SER 54 9.124 0.098 0.472 396 HB3 SER 54 HB3 SER 54 7.890 0.322 -0.768 397 HG SER 54 HG SER 54 7.736 -1.784 -0.327 398 H LYS 55 H LYS 55 11.927 1.604 -2.268 399 HA LYS 55 HA LYS 55 12.624 3.770 -2.254 400 HB2 LYS 55 HB2 LYS 55 9.725 3.930 -2.560 401 HB3 LYS 55 HB3 LYS 55 10.405 5.357 -1.788 402 HG2 LYS 55 HG2 LYS 55 10.709 6.060 -3.890 403 HG3 LYS 55 HG3 LYS 55 12.135 5.020 -3.842 404 HD2 LYS 55 HD2 LYS 55 9.422 4.077 -4.755 405 HD3 LYS 55 HD3 LYS 55 10.646 4.724 -5.851 406 HE2 LYS 55 HE2 LYS 55 12.103 2.890 -4.502 407 HE3 LYS 55 HE3 LYS 55 10.514 2.126 -4.468 408 HZ1 LYS 55 HZ1 LYS 55 10.478 1.887 -6.724 409 HZ2 LYS 55 HZ2 LYS 55 12.140 1.737 -6.453 410 HZ3 LYS 55 HZ3 LYS 55 11.503 3.202 -7.011 411 H SER 56 H SER 56 13.730 3.401 -0.275 412 HA SER 56 HA SER 56 12.396 4.533 2.095 413 HB2 SER 56 HB2 SER 56 13.018 2.583 3.040 414 HB3 SER 56 HB3 SER 56 14.120 2.199 1.718 415 HG SER 56 HG SER 56 14.627 3.366 4.155 416 HA PRO 57 HA PRO 57 15.242 7.873 2.201 417 HB2 PRO 57 HB2 PRO 57 15.493 8.266 4.876 418 HB3 PRO 57 HB3 PRO 57 14.032 8.690 3.975 419 HG2 PRO 57 HG2 PRO 57 14.594 6.268 5.643 420 HG3 PRO 57 HG3 PRO 57 13.126 7.260 5.569 421 HD2 PRO 57 HD2 PRO 57 13.350 4.889 4.279 422 HD3 PRO 57 HD3 PRO 57 12.378 6.234 3.645 423 HA PRO 58 HA PRO 58 19.390 6.563 2.838 424 HB2 PRO 58 HB2 PRO 58 20.597 8.806 3.777 425 HB3 PRO 58 HB3 PRO 58 20.069 8.630 2.100 426 HG2 PRO 58 HG2 PRO 58 18.718 10.030 4.375 427 HG3 PRO 58 HG3 PRO 58 18.907 10.556 2.691 428 HD2 PRO 58 HD2 PRO 58 16.611 9.469 3.630 429 HD3 PRO 58 HD3 PRO 58 17.158 9.247 1.955 430 H GLY 59 H GLY 59 18.925 5.051 4.553 431 HA2 GLY 59 HA2 GLY 59 20.297 5.744 6.999 432 HA3 GLY 59 HA3 GLY 59 18.578 5.444 7.209 433 H ALA 60 H ALA 60 18.571 3.553 8.292 434 HA ALA 60 HA ALA 60 19.080 1.152 6.875 435 HB1 ALA 60 HB1 ALA 60 20.820 0.986 9.192 436 HB2 ALA 60 HB2 ALA 60 21.121 0.529 7.515 437 HB3 ALA 60 HB3 ALA 60 21.361 2.198 8.030 438 H THR 61 H THR 61 17.252 0.189 7.498 439 HA THR 61 HA THR 61 16.936 -0.647 10.223 440 HB THR 61 HB THR 61 14.458 0.344 10.107 441 HG1 THR 61 HG1 THR 61 16.078 2.199 8.670 442 HG21 THR 61 HG21 THR 61 15.116 1.475 11.927 443 HG22 THR 61 HG22 THR 61 16.282 2.433 11.013 444 HG23 THR 61 HG23 THR 61 16.723 0.829 11.598 445 HA PRO 62 HA PRO 62 15.153 -3.362 6.867 446 HB2 PRO 62 HB2 PRO 62 16.583 -5.569 7.541 447 HB3 PRO 62 HB3 PRO 62 17.182 -4.342 6.419 448 HG2 PRO 62 HG2 PRO 62 17.793 -4.711 9.327 449 HG3 PRO 62 HG3 PRO 62 18.895 -4.325 7.992 450 HD2 PRO 62 HD2 PRO 62 17.965 -2.444 9.704 451 HD3 PRO 62 HD3 PRO 62 18.326 -2.092 8.002 452 H ALA 63 H ALA 63 14.103 -5.545 7.206 453 HA ALA 63 HA ALA 63 13.137 -5.830 9.976 454 HB1 ALA 63 HB1 ALA 63 10.946 -6.579 8.850 455 HB2 ALA 63 HB2 ALA 63 11.308 -4.854 8.921 456 HB3 ALA 63 HB3 ALA 63 11.570 -5.748 7.424 457 HA PRO 64 HA PRO 64 14.851 -9.850 8.327 458 HB2 PRO 64 HB2 PRO 64 16.456 -10.336 10.462 459 HB3 PRO 64 HB3 PRO 64 16.976 -9.384 9.067 460 HG2 PRO 64 HG2 PRO 64 15.984 -8.452 11.733 461 HG3 PRO 64 HG3 PRO 64 17.342 -7.842 10.770 462 HD2 PRO 64 HD2 PRO 64 14.932 -6.609 10.835 463 HD3 PRO 64 HD3 PRO 64 15.972 -6.598 9.396 464 HA PRO 65 HA PRO 65 12.241 -12.448 10.730 465 HB2 PRO 65 HB2 PRO 65 13.648 -14.767 10.849 466 HB3 PRO 65 HB3 PRO 65 12.870 -14.191 9.371 467 HG2 PRO 65 HG2 PRO 65 15.736 -13.983 10.208 468 HG3 PRO 65 HG3 PRO 65 15.061 -14.398 8.621 469 HD2 PRO 65 HD2 PRO 65 16.008 -11.929 9.200 470 HD3 PRO 65 HD3 PRO 65 14.662 -12.195 8.074 471 H GLY 66 H GLY 66 15.427 -11.755 11.861 472 HA2 GLY 66 HA2 GLY 66 15.376 -13.158 14.315 473 HA3 GLY 66 HA3 GLY 66 16.376 -11.759 13.953 474 H ALA 67 H ALA 67 13.749 -10.312 13.287 475 HA ALA 67 HA ALA 67 12.293 -8.911 14.335 476 HB1 ALA 67 HB1 ALA 67 10.892 -10.235 15.441 477 HB2 ALA 67 HB2 ALA 67 12.183 -11.365 15.849 478 HB3 ALA 67 HB3 ALA 67 11.880 -9.965 16.877 479 H ALA 68 H ALA 68 13.245 -7.020 14.760 480 HA ALA 68 HA ALA 68 14.487 -5.398 15.775 481 HB1 ALA 68 HB1 ALA 68 12.696 -5.883 17.472 482 HB2 ALA 68 HB2 ALA 68 13.877 -6.879 18.324 483 HB3 ALA 68 HB3 ALA 68 14.167 -5.152 18.113 484 HA PRO 69 HA PRO 69 18.205 -8.191 16.076 485 HB2 PRO 69 HB2 PRO 69 19.587 -6.973 14.082 486 HB3 PRO 69 HB3 PRO 69 18.440 -8.287 13.793 487 HG2 PRO 69 HG2 PRO 69 18.051 -5.333 13.498 488 HG3 PRO 69 HG3 PRO 69 17.528 -6.643 12.423 489 HD2 PRO 69 HD2 PRO 69 15.849 -5.433 14.169 490 HD3 PRO 69 HD3 PRO 69 15.690 -7.144 13.721 491 HA PRO 70 HA PRO 70 20.694 -5.406 18.396 492 HB2 PRO 70 HB2 PRO 70 23.216 -6.227 17.815 493 HB3 PRO 70 HB3 PRO 70 22.109 -7.164 18.826 494 HG2 PRO 70 HG2 PRO 70 22.778 -7.506 15.928 495 HG3 PRO 70 HG3 PRO 70 22.596 -8.741 17.188 496 HD2 PRO 70 HD2 PRO 70 20.645 -8.194 15.392 497 HD3 PRO 70 HD3 PRO 70 20.295 -8.723 17.050 498 HA PRO 71 HA PRO 71 22.146 -1.977 16.057 499 HB2 PRO 71 HB2 PRO 71 24.227 -1.072 17.546 500 HB3 PRO 71 HB3 PRO 71 22.541 -0.897 18.046 501 HG2 PRO 71 HG2 PRO 71 24.568 -2.929 18.898 502 HG3 PRO 71 HG3 PRO 71 23.392 -2.041 19.883 503 HD2 PRO 71 HD2 PRO 71 22.993 -4.599 19.092 504 HD3 PRO 71 HD3 PRO 71 21.659 -3.448 19.308 505 H ALA 72 H ALA 72 22.868 -3.511 14.329 506 HA ALA 72 HA ALA 72 24.400 -4.290 12.830 507 HB1 ALA 72 HB1 ALA 72 26.477 -2.354 13.559 508 HB2 ALA 72 HB2 ALA 72 25.675 -2.635 12.013 509 HB3 ALA 72 HB3 ALA 72 24.891 -1.647 13.246 510 H ALA 73 H ALA 73 27.105 -4.478 12.736 511 HA ALA 73 HA ALA 73 27.938 -5.791 15.223 512 HB1 ALA 73 HB1 ALA 73 27.754 -7.058 12.515 513 HB2 ALA 73 HB2 ALA 73 28.916 -7.634 13.710 514 HB3 ALA 73 HB3 ALA 73 27.190 -7.668 14.071 515 H GLY 74 H GLY 74 29.274 -5.587 11.923 516 HA2 GLY 74 HA2 GLY 74 31.005 -3.600 11.907 517 HA3 GLY 74 HA3 GLY 74 31.798 -4.654 13.067 518 H GLY 75 H GLY 75 32.377 -3.698 10.206 519 HA2 GLY 75 HA2 GLY 75 33.559 -6.182 9.351 520 HA3 GLY 75 HA3 GLY 75 32.253 -5.642 8.306 521 H SER 76 H SER 76 34.275 -5.764 6.852 522 HA SER 76 HA SER 76 35.864 -4.712 5.603 523 HB2 SER 76 HB2 SER 76 33.775 -3.221 5.347 524 HB3 SER 76 HB3 SER 76 34.601 -2.107 6.437 525 HG SER 76 HG SER 76 34.900 -1.948 4.003 526 HA PRO 77 HA PRO 77 38.350 -3.636 9.378 527 HB2 PRO 77 HB2 PRO 77 40.315 -5.444 8.887 528 HB3 PRO 77 HB3 PRO 77 38.842 -5.844 9.780 529 HG2 PRO 77 HG2 PRO 77 39.513 -6.353 6.907 530 HG3 PRO 77 HG3 PRO 77 38.728 -7.426 8.080 531 HD2 PRO 77 HD2 PRO 77 37.337 -6.039 6.217 532 HD3 PRO 77 HD3 PRO 77 36.673 -6.416 7.819 533 H SER 78 H SER 78 38.856 -3.773 5.978 534 HA SER 78 HA SER 78 40.453 -1.468 5.910 535 HB2 SER 78 HB2 SER 78 42.453 -2.959 4.832 536 HB3 SER 78 HB3 SER 78 42.437 -2.399 6.504 537 HG SER 78 HG SER 78 41.184 -4.822 5.844 538 HA PRO 79 HA PRO 79 39.264 -1.559 1.689 539 HB2 PRO 79 HB2 PRO 79 41.318 -0.267 0.472 540 HB3 PRO 79 HB3 PRO 79 40.136 0.558 1.495 541 HG2 PRO 79 HG2 PRO 79 42.899 -0.377 2.168 542 HG3 PRO 79 HG3 PRO 79 42.101 1.150 2.588 543 HD2 PRO 79 HD2 PRO 79 42.324 -0.905 4.336 544 HD3 PRO 79 HD3 PRO 79 40.941 0.208 4.342 545 HA PRO 80 HA PRO 80 41.076 -4.865 -0.574 546 HB2 PRO 80 HB2 PRO 80 40.809 -4.048 -3.149 547 HB3 PRO 80 HB3 PRO 80 39.439 -4.564 -2.158 548 HG2 PRO 80 HG2 PRO 80 40.380 -1.794 -2.794 549 HG3 PRO 80 HG3 PRO 80 38.727 -2.432 -2.757 550 HD2 PRO 80 HD2 PRO 80 39.774 -0.981 -0.724 551 HD3 PRO 80 HD3 PRO 80 38.581 -2.270 -0.462 552 H ALA 81 H ALA 81 43.243 -4.429 0.274 553 HA ALA 81 HA ALA 81 45.144 -4.126 -1.825 554 HB1 ALA 81 HB1 ALA 81 45.101 -1.952 0.265 555 HB2 ALA 81 HB2 ALA 81 46.317 -2.164 -0.996 556 HB3 ALA 81 HB3 ALA 81 44.657 -1.757 -1.431 557 H ASP 82 H ASP 82 44.437 -6.050 0.203 558 HA ASP 82 HA ASP 82 45.405 -7.467 1.697 559 HB2 ASP 82 HB2 ASP 82 47.969 -6.250 0.648 560 HB3 ASP 82 HB3 ASP 82 47.835 -7.763 1.539 561 H GLY 83 H GLY 83 47.434 -7.407 3.437 562 HA2 GLY 83 HA2 GLY 83 46.570 -5.386 5.311 563 HA3 GLY 83 HA3 GLY 83 47.714 -6.682 5.624 564 H GLY 84 H GLY 84 47.346 -3.379 5.123 565 HA2 GLY 84 HA2 GLY 84 49.598 -2.319 5.850 566 HA3 GLY 84 HA3 GLY 84 50.158 -3.025 4.341 567 H SER 85 H SER 85 49.774 -0.185 5.389 568 HA SER 85 HA SER 85 49.047 0.974 2.904 569 HB2 SER 85 HB2 SER 85 46.973 0.775 5.019 570 HB3 SER 85 HB3 SER 85 47.117 2.331 4.202 571 HG SER 85 HG SER 85 47.085 0.924 2.208 572 HA PRO 86 HA PRO 86 51.728 3.445 5.794 573 HB2 PRO 86 HB2 PRO 86 53.752 3.775 4.015 574 HB3 PRO 86 HB3 PRO 86 53.631 2.372 5.084 575 HG2 PRO 86 HG2 PRO 86 52.860 2.630 2.203 576 HG3 PRO 86 HG3 PRO 86 53.707 1.304 3.019 577 HD2 PRO 86 HD2 PRO 86 51.067 1.201 2.428 578 HD3 PRO 86 HD3 PRO 86 51.757 0.407 3.858 579 HA PRO 87 HA PRO 87 50.718 7.390 4.136 580 HB2 PRO 87 HB2 PRO 87 52.870 8.897 4.818 581 HB3 PRO 87 HB3 PRO 87 51.686 8.325 5.998 582 HG2 PRO 87 HG2 PRO 87 54.379 7.206 5.321 583 HG3 PRO 87 HG3 PRO 87 53.631 7.438 6.913 584 HD2 PRO 87 HD2 PRO 87 53.698 5.032 5.671 585 HD3 PRO 87 HD3 PRO 87 52.365 5.520 6.736 586 HA PRO 88 HA PRO 88 52.474 8.137 0.175 587 HB2 PRO 88 HB2 PRO 88 52.342 10.840 -0.042 588 HB3 PRO 88 HB3 PRO 88 50.914 9.800 -0.109 589 HG2 PRO 88 HG2 PRO 88 51.996 11.386 2.188 590 HG3 PRO 88 HG3 PRO 88 50.316 11.196 1.652 591 HD2 PRO 88 HD2 PRO 88 51.344 9.813 3.740 592 HD3 PRO 88 HD3 PRO 88 50.089 9.145 2.678 593 HA PRO 89 HA PRO 89 56.745 9.173 0.310 594 HB2 PRO 89 HB2 PRO 89 57.156 10.348 -2.103 595 HB3 PRO 89 HB3 PRO 89 56.863 8.615 -1.916 596 HG2 PRO 89 HG2 PRO 89 54.954 10.784 -2.696 597 HG3 PRO 89 HG3 PRO 89 55.143 9.160 -3.382 598 HD2 PRO 89 HD2 PRO 89 53.181 9.779 -1.621 599 HD3 PRO 89 HD3 PRO 89 53.926 8.169 -1.694 600 H ALA 90 H ALA 90 54.645 11.821 -0.761 601 HA ALA 90 HA ALA 90 55.650 13.655 1.119 602 HB1 ALA 90 HB1 ALA 90 57.281 13.385 -1.183 603 HB2 ALA 90 HB2 ALA 90 56.489 14.959 -1.262 604 HB3 ALA 90 HB3 ALA 90 57.446 14.524 0.154 605 H ASP 91 H ASP 91 55.095 16.046 0.216 606 HA ASP 91 HA ASP 91 52.282 15.868 -0.522 607 HB2 ASP 91 HB2 ASP 91 53.022 17.259 1.419 608 HB3 ASP 91 HB3 ASP 91 53.879 18.305 0.290 609 H GLY 92 H GLY 92 55.161 17.706 -1.555 610 HA2 GLY 92 HA2 GLY 92 55.698 18.663 -3.571 611 HA3 GLY 92 HA3 GLY 92 54.789 17.342 -4.289 612 H GLY 93 H GLY 93 53.862 18.531 -5.928 613 HA2 GLY 93 HA2 GLY 93 52.044 19.665 -6.812 614 HA3 GLY 93 HA3 GLY 93 51.541 20.067 -5.177 615 H SER 94 H SER 94 51.038 22.159 -6.200 616 HA SER 94 HA SER 94 51.455 24.378 -6.480 617 HB2 SER 94 HB2 SER 94 52.727 23.931 -4.290 618 HB3 SER 94 HB3 SER 94 54.186 23.945 -5.280 619 HG SER 94 HG SER 94 53.803 26.011 -4.481 620 HA PRO 95 HA PRO 95 50.616 24.924 -8.113 621 HB2 PRO 95 HB2 PRO 95 49.767 24.180 -10.582 622 HB3 PRO 95 HB3 PRO 95 50.547 25.734 -10.262 623 HG2 PRO 95 HG2 PRO 95 51.723 23.221 -11.387 624 HG3 PRO 95 HG3 PRO 95 51.965 24.900 -11.905 625 HD2 PRO 95 HD2 PRO 95 53.760 23.575 -10.370 626 HD3 PRO 95 HD3 PRO 95 53.497 25.326 -10.237 627 HA PRO 96 HA PRO 96 48.865 21.009 -7.135 628 HB2 PRO 96 HB2 PRO 96 46.226 21.467 -7.579 629 HB3 PRO 96 HB3 PRO 96 47.103 22.154 -6.207 630 HG2 PRO 96 HG2 PRO 96 46.380 23.423 -8.820 631 HG3 PRO 96 HG3 PRO 96 46.289 24.101 -7.184 632 HD2 PRO 96 HD2 PRO 96 48.315 24.673 -8.887 633 HD3 PRO 96 HD3 PRO 96 48.539 24.596 -7.128 634 H VAL 97 H VAL 97 49.804 19.779 -8.847 635 HA VAL 97 HA VAL 97 48.238 19.497 -11.299 636 HB VAL 97 HB VAL 97 50.855 18.167 -10.587 637 HG11 VAL 97 HG11 VAL 97 50.172 16.915 -12.347 638 HG12 VAL 97 HG12 VAL 97 49.091 18.167 -12.961 639 HG13 VAL 97 HG13 VAL 97 50.826 18.274 -13.261 640 HG21 VAL 97 HG21 VAL 97 51.809 19.902 -12.161 641 HG22 VAL 97 HG22 VAL 97 50.279 20.762 -11.999 642 HG23 VAL 97 HG23 VAL 97 51.294 20.493 -10.582 643 H ASP 98 H ASP 98 49.350 17.601 -8.531 644 HA ASP 98 HA ASP 98 47.236 15.652 -9.100 645 HB2 ASP 98 HB2 ASP 98 50.114 15.156 -9.157 646 HB3 ASP 98 HB3 ASP 98 49.262 14.087 -8.046 647 H GLY 99 H GLY 99 46.951 14.134 -7.167 648 HA2 GLY 99 HA2 GLY 99 47.657 15.397 -4.622 649 HA3 GLY 99 HA3 GLY 99 45.949 15.224 -4.998 650 H GLY 100 H GLY 100 46.426 14.036 -2.798 651 HA2 GLY 100 HA2 GLY 100 47.656 11.560 -2.673 652 HA3 GLY 100 HA3 GLY 100 46.263 12.022 -1.707 653 H SER 101 H SER 101 44.119 11.750 -2.723 654 HA SER 101 HA SER 101 42.538 10.445 -3.709 655 HB2 SER 101 HB2 SER 101 44.524 9.641 -5.817 656 HB3 SER 101 HB3 SER 101 42.790 9.917 -5.977 657 HG SER 101 HG SER 101 43.220 12.154 -5.605 658 HA PRO 102 HA PRO 102 44.524 6.707 -1.790 659 HB2 PRO 102 HB2 PRO 102 42.615 6.380 0.113 660 HB3 PRO 102 HB3 PRO 102 44.020 7.430 0.332 661 HG2 PRO 102 HG2 PRO 102 41.218 8.150 -0.437 662 HG3 PRO 102 HG3 PRO 102 42.308 8.960 0.703 663 HD2 PRO 102 HD2 PRO 102 41.907 9.861 -1.818 664 HD3 PRO 102 HD3 PRO 102 43.456 10.048 -0.973 665 HA PRO 103 HA PRO 103 43.833 4.832 -0.241 666 HB2 PRO 103 HB2 PRO 103 44.538 2.298 -0.912 667 HB3 PRO 103 HB3 PRO 103 43.018 2.689 -0.099 668 HG2 PRO 103 HG2 PRO 103 43.532 2.161 -3.000 669 HG3 PRO 103 HG3 PRO 103 42.201 1.589 -1.978 670 HD2 PRO 103 HD2 PRO 103 41.935 3.675 -3.684 671 HD3 PRO 103 HD3 PRO 103 41.048 3.578 -2.150 672 HA PRO 104 HA PRO 104 47.836 5.522 -1.922 673 HB2 PRO 104 HB2 PRO 104 49.440 4.094 -0.261 674 HB3 PRO 104 HB3 PRO 104 48.635 5.588 0.232 675 HG2 PRO 104 HG2 PRO 104 47.841 2.749 0.752 676 HG3 PRO 104 HG3 PRO 104 47.824 4.137 1.857 677 HD2 PRO 104 HD2 PRO 104 45.590 3.227 0.625 678 HD3 PRO 104 HD3 PRO 104 45.835 4.942 1.015 679 HA PRO 105 HA PRO 105 49.181 2.333 -4.634 680 HB2 PRO 105 HB2 PRO 105 51.869 2.704 -4.713 681 HB3 PRO 105 HB3 PRO 105 50.723 3.815 -5.473 682 HG2 PRO 105 HG2 PRO 105 52.126 4.050 -2.839 683 HG3 PRO 105 HG3 PRO 105 51.853 5.291 -4.076 684 HD2 PRO 105 HD2 PRO 105 50.335 5.103 -1.841 685 HD3 PRO 105 HD3 PRO 105 49.686 5.676 -3.391 686 H SER 106 H SER 106 50.021 2.278 -1.374 687 HA SER 106 HA SER 106 50.467 0.523 0.024 688 HB2 SER 106 HB2 SER 106 49.265 -0.806 -1.872 689 HB3 SER 106 HB3 SER 106 50.894 -1.323 -2.307 690 HG SER 106 HG SER 106 49.689 -1.624 0.247 691 H THR 107 H THR 107 52.397 -0.203 -2.885 692 HA THR 107 HA THR 107 54.818 0.822 -1.852 693 HB THR 107 HB THR 107 54.831 -0.984 -0.293 694 HG1 THR 107 HG1 THR 107 56.619 -2.313 -1.319 695 HG21 THR 107 HG21 THR 107 54.912 -3.318 -1.880 696 HG22 THR 107 HG22 THR 107 53.498 -2.398 -2.396 697 HG23 THR 107 HG23 THR 107 53.686 -2.850 -0.702 698 H HIS 108 H HIS 108 55.866 1.379 -3.634 699 HA HIS 108 HA HIS 108 56.437 1.491 -5.850 700 HB2 HIS 108 HB2 HIS 108 57.845 -0.249 -6.518 701 HB3 HIS 108 HB3 HIS 108 57.876 -0.369 -4.761 702 HD1 HIS 108 HD1 HIS 108 57.088 -2.529 -3.736 703 HD2 HIS 108 HD2 HIS 108 56.254 -2.278 -7.799 704 HE1 HIS 108 HE1 HIS 108 56.280 -4.816 -4.399 Start of MODEL 4 1 H1 ALA 1 H ALA 1 2.498 0.444 2.250 2 HA ALA 1 HA ALA 1 2.815 -0.988 4.088 3 HB1 ALA 1 HB1 ALA 1 0.403 -1.869 3.444 4 HB2 ALA 1 HB2 ALA 1 1.338 -3.231 2.824 5 HB3 ALA 1 HB3 ALA 1 1.468 -2.772 4.522 6 H GLY 2 H GLY 2 4.967 -1.019 3.459 7 HA2 GLY 2 HA2 GLY 2 6.284 -3.304 2.987 8 HA3 GLY 2 HA3 GLY 2 5.829 -2.829 1.357 9 H SER 3 H SER 3 6.061 0.062 2.224 10 HA SER 3 HA SER 3 8.676 0.504 1.289 11 HB2 SER 3 HB2 SER 3 7.509 2.673 2.904 12 HB3 SER 3 HB3 SER 3 8.069 2.686 1.232 13 HG SER 3 HG SER 3 5.740 2.959 1.576 14 H LYS 4 H LYS 4 10.531 0.205 2.308 15 HA LYS 4 HA LYS 4 11.229 1.301 4.761 16 HB2 LYS 4 HB2 LYS 4 11.435 -0.891 6.073 17 HB3 LYS 4 HB3 LYS 4 9.837 -0.167 5.951 18 HG2 LYS 4 HG2 LYS 4 9.004 -1.895 4.798 19 HG3 LYS 4 HG3 LYS 4 10.465 -2.081 3.825 20 HD2 LYS 4 HD2 LYS 4 11.477 -2.971 6.074 21 HD3 LYS 4 HD3 LYS 4 9.784 -3.260 6.482 22 HE2 LYS 4 HE2 LYS 4 9.504 -4.796 4.757 23 HE3 LYS 4 HE3 LYS 4 10.907 -4.202 3.871 24 HZ1 LYS 4 HZ1 LYS 4 11.338 -6.344 4.913 25 HZ2 LYS 4 HZ2 LYS 4 11.001 -5.694 6.438 26 HZ3 LYS 4 HZ3 LYS 4 12.341 -5.146 5.563 27 H LEU 5 H LEU 5 13.137 -0.366 5.742 28 HA LEU 5 HA LEU 5 14.976 -0.560 3.470 29 HB2 LEU 5 HB2 LEU 5 15.210 0.285 6.197 30 HB3 LEU 5 HB3 LEU 5 16.336 -1.036 5.891 31 HG LEU 5 HG LEU 5 16.625 0.739 3.735 32 HD11 LEU 5 HD11 LEU 5 15.469 2.442 5.043 33 HD12 LEU 5 HD12 LEU 5 17.174 2.843 4.839 34 HD13 LEU 5 HD13 LEU 5 16.598 2.195 6.375 35 HD21 LEU 5 HD21 LEU 5 18.201 -0.249 6.026 36 HD22 LEU 5 HD22 LEU 5 18.789 1.223 5.253 37 HD23 LEU 5 HD23 LEU 5 18.576 -0.248 4.302 38 H CYS 6 H CYS 6 15.931 -2.430 2.857 39 HA CYS 6 HA CYS 6 15.236 -4.855 4.382 40 HB2 CYS 6 HB2 CYS 6 15.427 -4.450 1.394 41 HB3 CYS 6 HB3 CYS 6 15.355 -6.038 2.150 42 H GLU 7 H GLU 7 16.878 -6.079 5.052 43 HA GLU 7 HA GLU 7 19.526 -5.634 3.837 44 HB2 GLU 7 HB2 GLU 7 20.541 -5.995 6.013 45 HB3 GLU 7 HB3 GLU 7 19.371 -4.686 6.110 46 HG2 GLU 7 HG2 GLU 7 17.786 -6.077 7.207 47 HG3 GLU 7 HG3 GLU 7 18.757 -7.517 6.909 48 H LYS 8 H LYS 8 20.747 -7.396 3.343 49 HA LYS 8 HA LYS 8 19.433 -10.006 3.654 50 HB2 LYS 8 HB2 LYS 8 21.126 -8.779 1.558 51 HB3 LYS 8 HB3 LYS 8 21.403 -10.488 1.868 52 HG2 LYS 8 HG2 LYS 8 18.721 -10.478 1.714 53 HG3 LYS 8 HG3 LYS 8 19.099 -9.133 0.635 54 HD2 LYS 8 HD2 LYS 8 20.904 -10.934 -0.221 55 HD3 LYS 8 HD3 LYS 8 19.630 -12.024 0.333 56 HE2 LYS 8 HE2 LYS 8 19.291 -9.753 -1.625 57 HE3 LYS 8 HE3 LYS 8 19.371 -11.465 -2.036 58 HZ1 LYS 8 HZ1 LYS 8 17.169 -9.926 -0.999 59 HZ2 LYS 8 HZ2 LYS 8 17.406 -11.394 -0.192 60 HZ3 LYS 8 HZ3 LYS 8 17.160 -11.379 -1.866 61 H THR 9 H THR 9 20.714 -11.862 4.176 62 HA THR 9 HA THR 9 23.157 -11.204 5.690 63 HB THR 9 HB THR 9 21.495 -13.595 6.384 64 HG1 THR 9 HG1 THR 9 19.985 -11.941 6.477 65 HG21 THR 9 HG21 THR 9 22.386 -12.546 8.701 66 HG22 THR 9 HG22 THR 9 23.635 -11.962 7.601 67 HG23 THR 9 HG23 THR 9 23.313 -13.690 7.732 68 H SER 10 H SER 10 23.828 -11.671 3.268 69 HA SER 10 HA SER 10 24.915 -13.014 1.782 70 HB2 SER 10 HB2 SER 10 26.524 -13.219 3.570 71 HB3 SER 10 HB3 SER 10 25.555 -14.461 4.361 72 HG SER 10 HG SER 10 26.563 -15.854 3.175 73 H LYS 11 H LYS 11 22.379 -13.493 1.468 74 HA LYS 11 HA LYS 11 21.818 -16.334 1.816 75 HB2 LYS 11 HB2 LYS 11 20.015 -14.342 0.461 76 HB3 LYS 11 HB3 LYS 11 19.578 -15.843 1.267 77 HG2 LYS 11 HG2 LYS 11 20.499 -13.285 2.555 78 HG3 LYS 11 HG3 LYS 11 18.896 -14.018 2.643 79 HD2 LYS 11 HD2 LYS 11 21.450 -15.174 3.762 80 HD3 LYS 11 HD3 LYS 11 20.147 -14.431 4.692 81 HE2 LYS 11 HE2 LYS 11 18.636 -16.207 3.635 82 HE3 LYS 11 HE3 LYS 11 20.130 -17.020 3.168 83 HZ1 LYS 11 HZ1 LYS 11 20.771 -17.120 5.486 84 HZ2 LYS 11 HZ2 LYS 11 19.265 -17.856 5.269 85 HZ3 LYS 11 HZ3 LYS 11 19.360 -16.310 5.948 86 H THR 12 H THR 12 23.924 -15.496 0.000 87 HA THR 12 HA THR 12 23.359 -17.173 -2.180 88 HB THR 12 HB THR 12 21.928 -15.231 -2.853 89 HG1 THR 12 HG1 THR 12 22.541 -16.415 -4.570 90 HG21 THR 12 HG21 THR 12 24.432 -13.747 -3.541 91 HG22 THR 12 HG22 THR 12 23.740 -13.587 -1.926 92 HG23 THR 12 HG23 THR 12 22.788 -13.142 -3.342 93 H TYR 13 H TYR 13 25.250 -14.584 -0.798 94 HA TYR 13 HA TYR 13 27.459 -14.439 -2.384 95 HB2 TYR 13 HB2 TYR 13 27.146 -13.141 -0.305 96 HB3 TYR 13 HB3 TYR 13 27.488 -14.587 0.639 97 HD1 TYR 13 HD1 TYR 13 28.935 -12.027 -1.569 98 HD2 TYR 13 HD2 TYR 13 29.739 -15.389 0.911 99 HE1 TYR 13 HE1 TYR 13 31.335 -11.491 -1.631 100 HE2 TYR 13 HE2 TYR 13 32.141 -14.862 0.857 101 HH TYR 13 HH TYR 13 33.418 -12.319 -1.202 102 H SER 14 H SER 14 27.540 -16.504 0.512 103 HA SER 14 HA SER 14 28.585 -18.479 0.943 104 HB2 SER 14 HB2 SER 14 26.930 -18.997 -1.094 105 HB3 SER 14 HB3 SER 14 28.458 -19.335 -1.906 106 HG SER 14 HG SER 14 28.373 -21.184 -0.928 107 H GLY 15 H GLY 15 30.438 -19.991 0.084 108 HA2 GLY 15 HA2 GLY 15 32.642 -20.212 -0.533 109 HA3 GLY 15 HA3 GLY 15 32.392 -18.873 -1.643 110 H LYS 16 H LYS 16 34.750 -18.709 -0.752 111 HA LYS 16 HA LYS 16 35.356 -17.809 1.783 112 HB2 LYS 16 HB2 LYS 16 37.291 -16.651 0.732 113 HB3 LYS 16 HB3 LYS 16 37.100 -18.315 0.198 114 HG2 LYS 16 HG2 LYS 16 35.959 -17.463 -1.841 115 HG3 LYS 16 HG3 LYS 16 36.354 -15.825 -1.317 116 HD2 LYS 16 HD2 LYS 16 38.693 -16.252 -1.485 117 HD3 LYS 16 HD3 LYS 16 38.421 -17.980 -1.721 118 HE2 LYS 16 HE2 LYS 16 37.407 -17.575 -3.867 119 HE3 LYS 16 HE3 LYS 16 37.484 -15.831 -3.618 120 HZ1 LYS 16 HZ1 LYS 16 39.279 -16.400 -5.012 121 HZ2 LYS 16 HZ2 LYS 16 39.742 -17.703 -4.039 122 HZ3 LYS 16 HZ3 LYS 16 39.958 -16.118 -3.488 123 H CYS 17 H CYS 17 35.277 -15.890 2.857 124 HA CYS 17 HA CYS 17 33.636 -13.795 1.630 125 HB2 CYS 17 HB2 CYS 17 33.088 -14.869 3.902 126 HB3 CYS 17 HB3 CYS 17 34.438 -13.929 4.529 127 H ASP 18 H ASP 18 34.202 -11.541 2.011 128 HA ASP 18 HA ASP 18 36.905 -10.900 2.778 129 HB2 ASP 18 HB2 ASP 18 36.572 -11.606 0.146 130 HB3 ASP 18 HB3 ASP 18 36.382 -9.856 0.085 131 H ASN 19 H ASN 19 37.109 -8.400 1.591 132 HA ASN 19 HA ASN 19 35.023 -6.965 3.048 133 HB2 ASN 19 HB2 ASN 19 37.629 -5.983 1.862 134 HB3 ASN 19 HB3 ASN 19 36.514 -5.007 2.814 135 HD21 ASN 19 HD22 ASN 19 35.824 -6.562 4.861 136 HD22 ASN 19 HD21 ASN 19 37.203 -7.001 5.805 137 H LYS 20 H LYS 20 36.819 -6.135 0.091 138 HA LYS 20 HA LYS 20 34.695 -4.635 -1.007 139 HB2 LYS 20 HB2 LYS 20 37.268 -4.644 -1.535 140 HB3 LYS 20 HB3 LYS 20 36.819 -5.852 -2.732 141 HG2 LYS 20 HG2 LYS 20 35.031 -3.642 -2.940 142 HG3 LYS 20 HG3 LYS 20 36.692 -3.046 -2.947 143 HD2 LYS 20 HD2 LYS 20 37.206 -4.097 -4.908 144 HD3 LYS 20 HD3 LYS 20 36.070 -5.418 -4.623 145 HE2 LYS 20 HE2 LYS 20 34.960 -4.324 -6.286 146 HE3 LYS 20 HE3 LYS 20 34.301 -3.470 -4.892 147 HZ1 LYS 20 HZ1 LYS 20 34.955 -1.664 -6.016 148 HZ2 LYS 20 HZ2 LYS 20 36.054 -2.513 -6.981 149 HZ3 LYS 20 HZ3 LYS 20 36.496 -2.030 -5.421 150 H LYS 21 H LYS 21 35.711 -7.979 -1.395 151 HA LYS 21 HA LYS 21 34.140 -8.654 -3.612 152 HB2 LYS 21 HB2 LYS 21 35.048 -10.349 -1.280 153 HB3 LYS 21 HB3 LYS 21 34.315 -10.994 -2.742 154 HG2 LYS 21 HG2 LYS 21 36.915 -9.485 -2.562 155 HG3 LYS 21 HG3 LYS 21 36.717 -11.217 -2.839 156 HD2 LYS 21 HD2 LYS 21 36.812 -10.700 -5.016 157 HD3 LYS 21 HD3 LYS 21 35.159 -10.117 -4.811 158 HE2 LYS 21 HE2 LYS 21 36.694 -7.995 -3.954 159 HE3 LYS 21 HE3 LYS 21 37.619 -8.639 -5.309 160 HZ1 LYS 21 HZ1 LYS 21 35.061 -7.287 -5.295 161 HZ2 LYS 21 HZ2 LYS 21 35.138 -8.639 -6.308 162 HZ3 LYS 21 HZ3 LYS 21 36.237 -7.368 -6.509 163 H CYS 22 H CYS 22 33.400 -8.687 -0.150 164 HA CYS 22 HA CYS 22 30.835 -9.848 -0.382 165 HB2 CYS 22 HB2 CYS 22 32.496 -8.862 1.704 166 HB3 CYS 22 HB3 CYS 22 30.928 -8.077 1.860 167 H ASP 23 H ASP 23 31.745 -6.447 0.202 168 HA ASP 23 HA ASP 23 29.219 -5.333 -0.019 169 HB2 ASP 23 HB2 ASP 23 31.493 -4.252 0.632 170 HB3 ASP 23 HB3 ASP 23 31.636 -3.906 -1.089 171 H LYS 24 H LYS 24 31.618 -5.900 -2.573 172 HA LYS 24 HA LYS 24 30.099 -4.791 -4.676 173 HB2 LYS 24 HB2 LYS 24 32.444 -5.094 -5.002 174 HB3 LYS 24 HB3 LYS 24 32.339 -6.812 -4.640 175 HG2 LYS 24 HG2 LYS 24 31.082 -7.183 -6.690 176 HG3 LYS 24 HG3 LYS 24 31.140 -5.456 -7.048 177 HD2 LYS 24 HD2 LYS 24 33.112 -5.718 -8.037 178 HD3 LYS 24 HD3 LYS 24 33.791 -6.352 -6.536 179 HE2 LYS 24 HE2 LYS 24 33.113 -8.588 -7.121 180 HE3 LYS 24 HE3 LYS 24 32.263 -7.999 -8.548 181 HZ1 LYS 24 HZ1 LYS 24 34.946 -7.130 -8.610 182 HZ2 LYS 24 HZ2 LYS 24 34.129 -8.125 -9.707 183 HZ3 LYS 24 HZ3 LYS 24 34.911 -8.804 -8.369 184 H LYS 25 H LYS 25 30.519 -8.155 -3.601 185 HA LYS 25 HA LYS 25 28.844 -9.339 -5.513 186 HB2 LYS 25 HB2 LYS 25 30.454 -10.535 -4.003 187 HB3 LYS 25 HB3 LYS 25 29.308 -10.308 -2.689 188 HG2 LYS 25 HG2 LYS 25 27.938 -11.934 -3.423 189 HG3 LYS 25 HG3 LYS 25 28.214 -11.547 -5.123 190 HD2 LYS 25 HD2 LYS 25 30.654 -12.523 -4.091 191 HD3 LYS 25 HD3 LYS 25 29.386 -13.615 -3.532 192 HE2 LYS 25 HE2 LYS 25 30.282 -14.346 -5.677 193 HE3 LYS 25 HE3 LYS 25 28.591 -13.869 -5.831 194 HZ1 LYS 25 HZ1 LYS 25 29.178 -11.893 -6.904 195 HZ2 LYS 25 HZ2 LYS 25 30.182 -13.059 -7.605 196 HZ3 LYS 25 HZ3 LYS 25 30.802 -12.000 -6.440 197 H CYS 26 H CYS 26 28.124 -7.486 -2.707 198 HA CYS 26 HA CYS 26 25.480 -8.486 -2.278 199 HB2 CYS 26 HB2 CYS 26 27.068 -6.157 -1.277 200 HB3 CYS 26 HB3 CYS 26 25.323 -6.162 -1.042 201 H ILE 27 H ILE 27 26.747 -5.480 -3.712 202 HA ILE 27 HA ILE 27 24.156 -4.683 -4.662 203 HB ILE 27 HB ILE 27 26.810 -3.553 -5.537 204 HG12 ILE 27 HG12 ILE 27 25.544 -1.972 -3.513 205 HG13 ILE 27 HG13 ILE 27 25.733 -3.614 -2.910 206 HG21 ILE 27 HG21 ILE 27 23.966 -2.700 -5.710 207 HG22 ILE 27 HG22 ILE 27 25.208 -1.462 -5.532 208 HG23 ILE 27 HG23 ILE 27 25.259 -2.572 -6.902 209 HD11 ILE 27 HD11 ILE 27 27.784 -1.598 -3.609 210 HD12 ILE 27 HD12 ILE 27 27.723 -2.741 -2.267 211 HD13 ILE 27 HD13 ILE 27 28.169 -3.297 -3.880 212 H GLU 28 H GLU 28 26.625 -6.729 -5.808 213 HA GLU 28 HA GLU 28 26.025 -6.396 -8.613 214 HB2 GLU 28 HB2 GLU 28 27.849 -8.165 -7.026 215 HB3 GLU 28 HB3 GLU 28 27.480 -8.574 -8.696 216 HG2 GLU 28 HG2 GLU 28 28.221 -5.790 -8.391 217 HG3 GLU 28 HG3 GLU 28 29.475 -6.886 -7.815 218 H TRP 29 H TRP 29 25.413 -8.820 -6.103 219 HA TRP 29 HA TRP 29 23.590 -10.210 -7.940 220 HB2 TRP 29 HB2 TRP 29 25.223 -11.056 -5.606 221 HB3 TRP 29 HB3 TRP 29 23.670 -11.859 -5.824 222 HD1 TRP 29 HD1 TRP 29 26.375 -10.872 -8.438 223 HE1 TRP 29 HE1 TRP 29 26.938 -12.972 -9.816 224 HE3 TRP 29 HE3 TRP 29 23.373 -14.244 -6.040 225 HZ2 TRP 29 HZ2 TRP 29 26.205 -15.698 -9.878 226 HZ3 TRP 29 HZ3 TRP 29 23.361 -16.578 -6.821 227 HH2 TRP 29 HH2 TRP 29 24.749 -17.287 -8.701 228 H GLU 30 H GLU 30 23.768 -9.070 -4.570 229 HA GLU 30 HA GLU 30 20.912 -9.354 -4.231 230 HB2 GLU 30 HB2 GLU 30 22.639 -7.869 -2.294 231 HB3 GLU 30 HB3 GLU 30 21.257 -8.910 -1.984 232 HG2 GLU 30 HG2 GLU 30 22.649 -10.856 -2.652 233 HG3 GLU 30 HG3 GLU 30 24.030 -9.767 -2.771 234 H LYS 31 H LYS 31 22.819 -7.116 -5.717 235 HA LYS 31 HA LYS 31 22.639 -4.893 -6.234 236 HB2 LYS 31 HB2 LYS 31 19.674 -5.438 -6.112 237 HB3 LYS 31 HB3 LYS 31 20.514 -4.279 -7.135 238 HG2 LYS 31 HG2 LYS 31 20.552 -7.278 -7.350 239 HG3 LYS 31 HG3 LYS 31 19.868 -6.119 -8.493 240 HD2 LYS 31 HD2 LYS 31 22.790 -6.449 -7.809 241 HD3 LYS 31 HD3 LYS 31 22.002 -6.957 -9.305 242 HE2 LYS 31 HE2 LYS 31 21.302 -4.459 -9.472 243 HE3 LYS 31 HE3 LYS 31 22.614 -4.196 -8.324 244 HZ1 LYS 31 HZ1 LYS 31 23.629 -3.941 -10.370 245 HZ2 LYS 31 HZ2 LYS 31 22.757 -5.196 -11.094 246 HZ3 LYS 31 HZ3 LYS 31 23.991 -5.550 -9.993 247 H ALA 32 H ALA 32 22.844 -5.377 -3.428 248 HA ALA 32 HA ALA 32 20.951 -3.709 -2.054 249 HB1 ALA 32 HB1 ALA 32 22.195 -4.175 -0.084 250 HB2 ALA 32 HB2 ALA 32 22.147 -5.664 -1.029 251 HB3 ALA 32 HB3 ALA 32 23.607 -4.674 -1.017 252 H GLN 33 H GLN 33 22.437 -2.203 -0.339 253 HA GLN 33 HA GLN 33 23.592 -0.191 -2.144 254 HB2 GLN 33 HB2 GLN 33 21.615 0.030 -0.191 255 HB3 GLN 33 HB3 GLN 33 23.045 0.734 0.553 256 HG2 GLN 33 HG2 GLN 33 22.231 1.534 -2.208 257 HG3 GLN 33 HG3 GLN 33 21.438 2.237 -0.799 258 HE21 GLN 33 HE22 GLN 33 24.622 1.661 -2.220 259 HE22 GLN 33 HE21 GLN 33 25.356 3.096 -1.596 260 H HIS 34 H HIS 34 24.049 -1.693 1.041 261 HA HIS 34 HA HIS 34 26.933 -1.355 0.734 262 HB2 HIS 34 HB2 HIS 34 25.589 0.463 2.240 263 HB3 HIS 34 HB3 HIS 34 25.948 -0.761 3.454 264 HD1 HIS 34 HD1 HIS 34 27.977 0.890 0.676 265 HD2 HIS 34 HD2 HIS 34 28.255 -0.137 4.692 266 HE1 HIS 34 HE1 HIS 34 30.263 1.643 1.406 267 H GLY 35 H GLY 35 28.077 -3.058 1.476 268 HA2 GLY 35 HA2 GLY 35 26.673 -5.000 3.198 269 HA3 GLY 35 HA3 GLY 35 27.534 -5.525 1.759 270 H ALA 36 H ALA 36 27.980 -6.315 4.518 271 HA ALA 36 HA ALA 36 30.822 -5.615 4.667 272 HB1 ALA 36 HB1 ALA 36 30.420 -4.301 6.428 273 HB2 ALA 36 HB2 ALA 36 28.782 -4.923 6.633 274 HB3 ALA 36 HB3 ALA 36 30.151 -5.799 7.319 275 H CYS 37 H CYS 37 32.057 -7.119 6.051 276 HA CYS 37 HA CYS 37 30.808 -9.787 6.140 277 HB2 CYS 37 HB2 CYS 37 32.472 -9.567 4.308 278 HB3 CYS 37 HB3 CYS 37 33.700 -9.166 5.505 279 H HIS 38 H HIS 38 31.261 -11.090 7.891 280 HA HIS 38 HA HIS 38 33.134 -10.189 9.918 281 HB2 HIS 38 HB2 HIS 38 31.194 -8.960 10.610 282 HB3 HIS 38 HB3 HIS 38 30.160 -10.372 10.413 283 HD1 HIS 38 HD1 HIS 38 33.445 -10.125 12.304 284 HD2 HIS 38 HD2 HIS 38 29.420 -10.911 12.970 285 HE1 HIS 38 HE1 HIS 38 33.284 -10.803 14.720 286 H LYS 39 H LYS 39 33.922 -11.831 11.161 287 HA LYS 39 HA LYS 39 33.157 -14.524 10.354 288 HB2 LYS 39 HB2 LYS 39 35.208 -15.248 11.382 289 HB3 LYS 39 HB3 LYS 39 35.552 -13.828 10.403 290 HG2 LYS 39 HG2 LYS 39 36.658 -13.136 12.220 291 HG3 LYS 39 HG3 LYS 39 35.055 -12.679 12.801 292 HD2 LYS 39 HD2 LYS 39 35.320 -14.061 14.522 293 HD3 LYS 39 HD3 LYS 39 35.390 -15.417 13.394 294 HE2 LYS 39 HE2 LYS 39 37.901 -14.445 13.161 295 HE3 LYS 39 HE3 LYS 39 37.553 -14.030 14.839 296 HZ1 LYS 39 HZ1 LYS 39 36.744 -16.693 14.193 297 HZ2 LYS 39 HZ2 LYS 39 37.737 -16.145 15.447 298 HZ3 LYS 39 HZ3 LYS 39 38.397 -16.457 13.921 299 H ARG 40 H ARG 40 32.053 -15.911 11.593 300 HA ARG 40 HA ARG 40 31.983 -15.663 14.465 301 HB2 ARG 40 HB2 ARG 40 29.864 -14.548 12.818 302 HB3 ARG 40 HB3 ARG 40 29.257 -15.788 13.908 303 HG2 ARG 40 HG2 ARG 40 31.071 -13.750 15.055 304 HG3 ARG 40 HG3 ARG 40 29.445 -13.233 14.603 305 HD2 ARG 40 HD2 ARG 40 28.468 -14.931 16.009 306 HD3 ARG 40 HD3 ARG 40 30.061 -15.593 16.375 307 HE ARG 40 HE ARG 40 30.247 -13.026 17.210 308 HH11 ARG 40 HH12 ARG 40 27.970 -15.587 17.823 309 HH12 ARG 40 HH11 ARG 40 27.578 -15.033 19.417 310 HH21 ARG 40 HH22 ARG 40 29.739 -12.286 19.307 311 HH22 ARG 40 HH21 ARG 40 28.584 -13.155 20.260 312 H GLU 41 H GLU 41 30.345 -17.349 15.364 313 HA GLU 41 HA GLU 41 29.996 -19.587 15.649 314 HB2 GLU 41 HB2 GLU 41 29.171 -19.222 12.768 315 HB3 GLU 41 HB3 GLU 41 28.887 -20.701 13.676 316 HG2 GLU 41 HG2 GLU 41 27.661 -19.241 15.359 317 HG3 GLU 41 HG3 GLU 41 27.708 -17.982 14.125 318 H ALA 42 H ALA 42 32.175 -20.161 16.010 319 HA ALA 42 HA ALA 42 34.043 -21.424 15.696 320 HB1 ALA 42 HB1 ALA 42 32.072 -22.581 13.861 321 HB2 ALA 42 HB2 ALA 42 33.752 -22.920 13.443 322 HB3 ALA 42 HB3 ALA 42 33.133 -23.363 15.033 323 H GLY 43 H GLY 43 33.275 -21.214 12.252 324 HA2 GLY 43 HA2 GLY 43 35.261 -19.120 11.855 325 HA3 GLY 43 HA3 GLY 43 35.655 -20.693 11.178 326 H LYS 44 H LYS 44 32.394 -19.421 11.345 327 HA LYS 44 HA LYS 44 32.306 -19.445 8.414 328 HB2 LYS 44 HB2 LYS 44 29.999 -19.339 10.363 329 HB3 LYS 44 HB3 LYS 44 29.901 -19.618 8.629 330 HG2 LYS 44 HG2 LYS 44 30.311 -21.795 8.849 331 HG3 LYS 44 HG3 LYS 44 31.637 -21.521 9.981 332 HD2 LYS 44 HD2 LYS 44 29.520 -20.884 11.536 333 HD3 LYS 44 HD3 LYS 44 28.794 -22.108 10.491 334 HE2 LYS 44 HE2 LYS 44 31.396 -22.960 11.359 335 HE3 LYS 44 HE3 LYS 44 30.412 -22.511 12.751 336 HZ1 LYS 44 HZ1 LYS 44 29.248 -24.367 12.540 337 HZ2 LYS 44 HZ2 LYS 44 30.304 -24.870 11.318 338 HZ3 LYS 44 HZ3 LYS 44 28.886 -24.037 10.920 339 H GLU 45 H GLU 45 32.505 -17.564 7.409 340 HA GLU 45 HA GLU 45 32.007 -15.081 8.833 341 HB2 GLU 45 HB2 GLU 45 33.570 -15.911 6.514 342 HB3 GLU 45 HB3 GLU 45 32.684 -14.419 6.229 343 HG2 GLU 45 HG2 GLU 45 34.616 -13.580 7.082 344 HG3 GLU 45 HG3 GLU 45 33.682 -13.759 8.565 345 H SER 46 H SER 46 30.226 -13.890 8.646 346 HA SER 46 HA SER 46 28.286 -14.623 6.559 347 HB2 SER 46 HB2 SER 46 27.334 -12.918 8.757 348 HB3 SER 46 HB3 SER 46 26.625 -14.381 8.075 349 HG SER 46 HG SER 46 27.628 -15.558 9.527 350 H CYS 47 H CYS 47 27.271 -13.038 5.334 351 HA CYS 47 HA CYS 47 28.588 -10.403 5.385 352 HB2 CYS 47 HB2 CYS 47 28.778 -12.051 3.341 353 HB3 CYS 47 HB3 CYS 47 27.172 -11.439 2.959 354 H PHE 48 H PHE 48 27.344 -8.820 6.104 355 HA PHE 48 HA PHE 48 24.431 -9.028 5.722 356 HB2 PHE 48 HB2 PHE 48 24.356 -7.367 7.665 357 HB3 PHE 48 HB3 PHE 48 24.839 -9.016 8.049 358 HD1 PHE 48 HD2 PHE 48 27.199 -9.536 8.521 359 HD2 PHE 48 HD1 PHE 48 25.852 -5.542 7.932 360 HE1 PHE 48 HE2 PHE 48 29.267 -8.691 9.550 361 HE2 PHE 48 HE1 PHE 48 27.919 -4.690 8.960 362 HZ PHE 48 HZ PHE 48 29.629 -6.265 9.772 363 H CYS 49 H CYS 49 23.537 -7.638 4.360 364 HA CYS 49 HA CYS 49 24.872 -5.054 3.897 365 HB2 CYS 49 HB2 CYS 49 23.354 -6.400 1.695 366 HB3 CYS 49 HB3 CYS 49 24.658 -5.221 1.593 367 H TYR 50 H TYR 50 23.520 -3.290 3.416 368 HA TYR 50 HA TYR 50 20.668 -3.732 4.013 369 HB2 TYR 50 HB2 TYR 50 22.191 -1.221 4.702 370 HB3 TYR 50 HB3 TYR 50 20.590 -1.702 5.254 371 HD1 TYR 50 HD2 TYR 50 24.203 -2.329 5.614 372 HD2 TYR 50 HD1 TYR 50 20.314 -3.179 7.118 373 HE1 TYR 50 HE2 TYR 50 25.206 -3.343 7.618 374 HE2 TYR 50 HE1 TYR 50 21.306 -4.194 9.126 375 HH TYR 50 HH TYR 50 23.191 -4.541 10.275 376 H PHE 51 H PHE 51 19.196 -2.801 2.695 377 HA PHE 51 HA PHE 51 19.996 -0.723 0.829 378 HB2 PHE 51 HB2 PHE 51 20.557 -2.539 -0.556 379 HB3 PHE 51 HB3 PHE 51 19.183 -3.495 -0.010 380 HD1 PHE 51 HD2 PHE 51 20.060 -0.436 -1.924 381 HD2 PHE 51 HD1 PHE 51 17.212 -3.523 -1.235 382 HE1 PHE 51 HE2 PHE 51 18.760 0.335 -3.865 383 HE2 PHE 51 HE1 PHE 51 15.907 -2.757 -3.175 384 HZ PHE 51 HZ PHE 51 16.680 -0.825 -4.492 385 H ASP 52 H ASP 52 18.341 0.603 0.259 386 HA ASP 52 HA ASP 52 15.918 0.426 1.752 387 HB2 ASP 52 HB2 ASP 52 15.298 2.434 0.236 388 HB3 ASP 52 HB3 ASP 52 16.626 2.622 1.378 389 H CYS 53 H CYS 53 14.167 -0.698 1.254 390 HA CYS 53 HA CYS 53 13.707 -1.410 -1.568 391 HB2 CYS 53 HB2 CYS 53 12.450 -3.359 -0.708 392 HB3 CYS 53 HB3 CYS 53 14.132 -3.369 -0.190 393 H SER 54 H SER 54 11.587 -1.338 -2.387 394 HA SER 54 HA SER 54 9.604 -0.273 -2.758 395 HB2 SER 54 HB2 SER 54 9.370 -1.142 0.116 396 HB3 SER 54 HB3 SER 54 8.047 -0.311 -0.700 397 HG SER 54 HG SER 54 7.627 -2.064 -1.787 398 H LYS 55 H LYS 55 11.461 1.585 -2.654 399 HA LYS 55 HA LYS 55 11.622 3.864 -2.506 400 HB2 LYS 55 HB2 LYS 55 8.940 3.441 -1.994 401 HB3 LYS 55 HB3 LYS 55 9.476 4.337 -0.579 402 HG2 LYS 55 HG2 LYS 55 8.697 5.920 -2.154 403 HG3 LYS 55 HG3 LYS 55 10.458 6.034 -2.140 404 HD2 LYS 55 HD2 LYS 55 9.785 6.091 -4.417 405 HD3 LYS 55 HD3 LYS 55 10.463 4.487 -4.128 406 HE2 LYS 55 HE2 LYS 55 8.540 3.495 -4.655 407 HE3 LYS 55 HE3 LYS 55 7.627 4.548 -3.575 408 HZ1 LYS 55 HZ1 LYS 55 7.119 4.620 -6.069 409 HZ2 LYS 55 HZ2 LYS 55 8.545 5.518 -6.206 410 HZ3 LYS 55 HZ3 LYS 55 7.274 6.091 -5.248 411 H SER 56 H SER 56 10.490 2.539 0.608 412 HA SER 56 HA SER 56 11.385 2.597 2.699 413 HB2 SER 56 HB2 SER 56 13.396 1.701 1.457 414 HB3 SER 56 HB3 SER 56 13.998 3.357 1.379 415 HG SER 56 HG SER 56 14.706 1.967 3.209 416 HA PRO 57 HA PRO 57 10.938 7.206 2.680 417 HB2 PRO 57 HB2 PRO 57 8.895 7.238 4.467 418 HB3 PRO 57 HB3 PRO 57 8.648 7.035 2.729 419 HG2 PRO 57 HG2 PRO 57 8.717 4.961 4.887 420 HG3 PRO 57 HG3 PRO 57 7.605 5.111 3.514 421 HD2 PRO 57 HD2 PRO 57 9.696 3.390 3.514 422 HD3 PRO 57 HD3 PRO 57 9.104 4.174 2.035 423 HA PRO 58 HA PRO 58 13.135 7.988 6.408 424 HB2 PRO 58 HB2 PRO 58 12.108 10.366 7.222 425 HB3 PRO 58 HB3 PRO 58 13.171 10.209 5.819 426 HG2 PRO 58 HG2 PRO 58 10.187 10.420 5.919 427 HG3 PRO 58 HG3 PRO 58 11.329 11.215 4.820 428 HD2 PRO 58 HD2 PRO 58 9.906 9.025 4.107 429 HD3 PRO 58 HD3 PRO 58 11.535 9.350 3.482 430 H GLY 59 H GLY 59 13.010 7.272 8.450 431 HA2 GLY 59 HA2 GLY 59 11.922 7.424 10.633 432 HA3 GLY 59 HA3 GLY 59 10.381 7.356 9.792 433 H ALA 60 H ALA 60 11.775 5.243 8.005 434 HA ALA 60 HA ALA 60 10.992 2.991 9.689 435 HB1 ALA 60 HB1 ALA 60 10.363 1.943 7.809 436 HB2 ALA 60 HB2 ALA 60 10.460 3.547 7.082 437 HB3 ALA 60 HB3 ALA 60 11.815 2.428 6.933 438 H THR 61 H THR 61 12.297 1.036 9.729 439 HA THR 61 HA THR 61 15.173 1.529 9.341 440 HB THR 61 HB THR 61 15.220 -0.147 11.468 441 HG1 THR 61 HG1 THR 61 13.609 0.345 12.875 442 HG21 THR 61 HG21 THR 61 15.973 1.698 12.747 443 HG22 THR 61 HG22 THR 61 14.995 2.835 11.820 444 HG23 THR 61 HG23 THR 61 16.397 2.067 11.076 445 HA PRO 62 HA PRO 62 15.400 -2.399 7.398 446 HB2 PRO 62 HB2 PRO 62 17.808 -3.324 8.244 447 HB3 PRO 62 HB3 PRO 62 17.641 -2.004 7.080 448 HG2 PRO 62 HG2 PRO 62 18.169 -1.878 10.024 449 HG3 PRO 62 HG3 PRO 62 18.915 -0.946 8.713 450 HD2 PRO 62 HD2 PRO 62 16.953 0.062 10.283 451 HD3 PRO 62 HD3 PRO 62 17.143 0.522 8.579 452 H ALA 63 H ALA 63 16.227 -4.786 7.980 453 HA ALA 63 HA ALA 63 14.892 -5.505 10.508 454 HB1 ALA 63 HB1 ALA 63 14.529 -7.742 9.347 455 HB2 ALA 63 HB2 ALA 63 13.578 -6.373 8.768 456 HB3 ALA 63 HB3 ALA 63 14.988 -6.915 7.858 457 HA PRO 64 HA PRO 64 19.357 -6.738 10.893 458 HB2 PRO 64 HB2 PRO 64 19.638 -5.812 13.430 459 HB3 PRO 64 HB3 PRO 64 19.879 -4.796 12.004 460 HG2 PRO 64 HG2 PRO 64 17.486 -5.019 13.789 461 HG3 PRO 64 HG3 PRO 64 18.241 -3.567 13.106 462 HD2 PRO 64 HD2 PRO 64 16.008 -4.681 12.054 463 HD3 PRO 64 HD3 PRO 64 17.218 -3.846 11.059 464 HA PRO 65 HA PRO 65 18.645 -10.432 13.170 465 HB2 PRO 65 HB2 PRO 65 21.020 -10.816 14.427 466 HB3 PRO 65 HB3 PRO 65 20.807 -11.039 12.686 467 HG2 PRO 65 HG2 PRO 65 21.935 -8.698 14.173 468 HG3 PRO 65 HG3 PRO 65 22.522 -9.468 12.688 469 HD2 PRO 65 HD2 PRO 65 21.082 -7.175 12.668 470 HD3 PRO 65 HD3 PRO 65 20.985 -8.375 11.363 471 H GLY 66 H GLY 66 20.397 -8.049 15.175 472 HA2 GLY 66 HA2 GLY 66 18.516 -8.673 17.363 473 HA3 GLY 66 HA3 GLY 66 20.243 -8.549 17.662 474 H ALA 67 H ALA 67 18.079 -6.541 15.682 475 HA ALA 67 HA ALA 67 17.771 -4.282 15.617 476 HB1 ALA 67 HB1 ALA 67 17.641 -3.288 18.060 477 HB2 ALA 67 HB2 ALA 67 16.382 -4.348 17.427 478 HB3 ALA 67 HB3 ALA 67 17.623 -4.996 18.499 479 H ALA 68 H ALA 68 19.749 -3.777 14.604 480 HA ALA 68 HA ALA 68 21.802 -2.808 14.369 481 HB1 ALA 68 HB1 ALA 68 20.451 -1.308 16.540 482 HB2 ALA 68 HB2 ALA 68 22.168 -0.996 16.281 483 HB3 ALA 68 HB3 ALA 68 21.021 -0.759 14.963 484 HA PRO 69 HA PRO 69 23.725 -5.615 17.536 485 HB2 PRO 69 HB2 PRO 69 25.145 -7.064 15.733 486 HB3 PRO 69 HB3 PRO 69 23.477 -7.449 16.175 487 HG2 PRO 69 HG2 PRO 69 24.511 -5.976 13.782 488 HG3 PRO 69 HG3 PRO 69 23.243 -7.211 13.873 489 HD2 PRO 69 HD2 PRO 69 22.691 -4.565 13.711 490 HD3 PRO 69 HD3 PRO 69 21.653 -5.705 14.592 491 HA PRO 70 HA PRO 70 27.612 -3.569 17.728 492 HB2 PRO 70 HB2 PRO 70 29.280 -5.527 18.595 493 HB3 PRO 70 HB3 PRO 70 28.058 -4.779 19.630 494 HG2 PRO 70 HG2 PRO 70 27.955 -7.382 18.155 495 HG3 PRO 70 HG3 PRO 70 27.428 -7.010 19.807 496 HD2 PRO 70 HD2 PRO 70 25.698 -7.193 17.733 497 HD3 PRO 70 HD3 PRO 70 25.437 -6.091 19.100 498 HA PRO 71 HA PRO 71 30.093 -4.164 14.148 499 HB2 PRO 71 HB2 PRO 71 32.579 -3.515 15.024 500 HB3 PRO 71 HB3 PRO 71 31.302 -2.317 14.783 501 HG2 PRO 71 HG2 PRO 71 32.218 -3.625 17.315 502 HG3 PRO 71 HG3 PRO 71 31.808 -1.925 17.019 503 HD2 PRO 71 HD2 PRO 71 30.097 -3.650 18.214 504 HD3 PRO 71 HD3 PRO 71 29.542 -2.312 17.187 505 H ALA 72 H ALA 72 31.742 -5.489 17.023 506 HA ALA 72 HA ALA 72 32.921 -7.408 17.360 507 HB1 ALA 72 HB1 ALA 72 30.637 -8.295 16.705 508 HB2 ALA 72 HB2 ALA 72 31.325 -8.604 15.111 509 HB3 ALA 72 HB3 ALA 72 31.994 -9.408 16.531 510 H ALA 73 H ALA 73 33.792 -5.444 15.264 511 HA ALA 73 HA ALA 73 36.110 -6.761 14.408 512 HB1 ALA 73 HB1 ALA 73 33.892 -6.641 12.388 513 HB2 ALA 73 HB2 ALA 73 35.589 -6.705 11.911 514 HB3 ALA 73 HB3 ALA 73 34.888 -8.020 12.854 515 H GLY 74 H GLY 74 34.069 -4.541 12.520 516 HA2 GLY 74 HA2 GLY 74 34.955 -2.105 13.382 517 HA3 GLY 74 HA3 GLY 74 36.222 -2.653 12.295 518 H GLY 75 H GLY 75 35.864 -2.695 10.094 519 HA2 GLY 75 HA2 GLY 75 33.510 -2.614 8.700 520 HA3 GLY 75 HA3 GLY 75 33.798 -0.940 9.151 521 H SER 76 H SER 76 34.843 -3.610 7.187 522 HA SER 76 HA SER 76 36.290 -3.777 5.434 523 HB2 SER 76 HB2 SER 76 35.642 -0.840 5.087 524 HB3 SER 76 HB3 SER 76 36.255 -1.931 3.845 525 HG SER 76 HG SER 76 34.279 -2.507 3.488 526 HA PRO 77 HA PRO 77 39.742 -1.866 7.919 527 HB2 PRO 77 HB2 PRO 77 41.048 -4.204 8.366 528 HB3 PRO 77 HB3 PRO 77 39.765 -3.603 9.423 529 HG2 PRO 77 HG2 PRO 77 39.623 -5.658 7.250 530 HG3 PRO 77 HG3 PRO 77 38.890 -5.684 8.864 531 HD2 PRO 77 HD2 PRO 77 37.490 -5.041 6.637 532 HD3 PRO 77 HD3 PRO 77 37.135 -4.332 8.226 533 H SER 78 H SER 78 41.317 -0.998 6.740 534 HA SER 78 HA SER 78 42.460 -2.579 4.530 535 HB2 SER 78 HB2 SER 78 42.764 -0.526 3.269 536 HB3 SER 78 HB3 SER 78 41.073 -0.660 3.752 537 HG SER 78 HG SER 78 41.541 1.353 4.341 538 HA PRO 79 HA PRO 79 45.783 -1.484 7.614 539 HB2 PRO 79 HB2 PRO 79 46.796 -3.997 7.789 540 HB3 PRO 79 HB3 PRO 79 45.468 -3.424 8.805 541 HG2 PRO 79 HG2 PRO 79 45.369 -5.089 6.319 542 HG3 PRO 79 HG3 PRO 79 44.461 -5.279 7.830 543 HD2 PRO 79 HD2 PRO 79 43.387 -4.144 5.619 544 HD3 PRO 79 HD3 PRO 79 42.930 -3.653 7.262 545 HA PRO 80 HA PRO 80 49.052 -1.249 4.683 546 HB2 PRO 80 HB2 PRO 80 51.256 -1.706 6.201 547 HB3 PRO 80 HB3 PRO 80 50.313 -0.214 6.300 548 HG2 PRO 80 HG2 PRO 80 50.244 -2.619 8.080 549 HG3 PRO 80 HG3 PRO 80 50.218 -0.901 8.519 550 HD2 PRO 80 HD2 PRO 80 47.979 -2.424 8.460 551 HD3 PRO 80 HD3 PRO 80 47.966 -0.692 8.071 552 H ALA 81 H ALA 81 51.199 -2.446 4.042 553 HA ALA 81 HA ALA 81 51.196 -5.293 4.488 554 HB1 ALA 81 HB1 ALA 81 49.418 -4.778 2.700 555 HB2 ALA 81 HB2 ALA 81 50.790 -4.451 1.641 556 HB3 ALA 81 HB3 ALA 81 50.598 -6.046 2.369 557 H ASP 82 H ASP 82 53.001 -2.975 4.730 558 HA ASP 82 HA ASP 82 55.376 -4.196 3.823 559 HB2 ASP 82 HB2 ASP 82 54.256 -3.058 1.709 560 HB3 ASP 82 HB3 ASP 82 54.987 -1.606 2.388 561 H GLY 83 H GLY 83 54.409 -3.166 6.250 562 HA2 GLY 83 HA2 GLY 83 55.205 -1.975 8.047 563 HA3 GLY 83 HA3 GLY 83 56.634 -1.627 7.086 564 H GLY 84 H GLY 84 56.911 0.378 6.277 565 HA2 GLY 84 HA2 GLY 84 56.326 2.515 5.548 566 HA3 GLY 84 HA3 GLY 84 54.655 2.175 5.970 567 H SER 85 H SER 85 57.348 3.941 6.782 568 HA SER 85 HA SER 85 56.100 5.017 9.117 569 HB2 SER 85 HB2 SER 85 57.998 4.491 10.669 570 HB3 SER 85 HB3 SER 85 57.045 3.081 10.207 571 HG SER 85 HG SER 85 59.664 3.754 9.563 572 HA PRO 86 HA PRO 86 59.000 7.747 6.685 573 HB2 PRO 86 HB2 PRO 86 57.157 9.672 6.171 574 HB3 PRO 86 HB3 PRO 86 57.389 8.262 5.131 575 HG2 PRO 86 HG2 PRO 86 55.320 8.740 7.241 576 HG3 PRO 86 HG3 PRO 86 55.128 8.034 5.625 577 HD2 PRO 86 HD2 PRO 86 55.271 6.523 7.868 578 HD3 PRO 86 HD3 PRO 86 55.893 5.967 6.301 579 HA PRO 87 HA PRO 87 59.819 10.554 9.969 580 HB2 PRO 87 HB2 PRO 87 60.566 12.811 8.658 581 HB3 PRO 87 HB3 PRO 87 61.575 11.361 8.727 582 HG2 PRO 87 HG2 PRO 87 59.764 12.307 6.539 583 HG3 PRO 87 HG3 PRO 87 61.396 11.621 6.423 584 HD2 PRO 87 HD2 PRO 87 59.165 10.163 5.942 585 HD3 PRO 87 HD3 PRO 87 60.637 9.456 6.638 586 HA PRO 88 HA PRO 88 56.434 13.199 10.909 587 HB2 PRO 88 HB2 PRO 88 57.614 15.220 12.284 588 HB3 PRO 88 HB3 PRO 88 57.419 13.593 12.947 589 HG2 PRO 88 HG2 PRO 88 59.827 14.849 11.687 590 HG3 PRO 88 HG3 PRO 88 59.724 13.835 13.138 591 HD2 PRO 88 HD2 PRO 88 60.516 12.866 10.737 592 HD3 PRO 88 HD3 PRO 88 59.630 11.881 11.919 593 HA PRO 89 HA PRO 89 55.946 16.513 8.061 594 HB2 PRO 89 HB2 PRO 89 54.408 18.272 9.443 595 HB3 PRO 89 HB3 PRO 89 53.790 16.737 8.823 596 HG2 PRO 89 HG2 PRO 89 54.700 17.433 11.588 597 HG3 PRO 89 HG3 PRO 89 53.284 16.495 11.080 598 HD2 PRO 89 HD2 PRO 89 55.562 15.330 11.966 599 HD3 PRO 89 HD3 PRO 89 54.518 14.578 10.742 600 H ALA 90 H ALA 90 57.377 17.162 11.144 601 HA ALA 90 HA ALA 90 58.792 18.776 11.912 602 HB1 ALA 90 HB1 ALA 90 60.458 19.588 10.295 603 HB2 ALA 90 HB2 ALA 90 60.217 17.844 10.188 604 HB3 ALA 90 HB3 ALA 90 59.495 18.910 8.982 605 H ASP 91 H ASP 91 56.285 19.753 11.768 606 HA ASP 91 HA ASP 91 55.155 21.729 11.875 607 HB2 ASP 91 HB2 ASP 91 57.922 22.502 11.913 608 HB3 ASP 91 HB3 ASP 91 57.000 23.672 10.973 609 H GLY 92 H GLY 92 57.426 22.560 9.269 610 HA2 GLY 92 HA2 GLY 92 56.517 21.985 6.948 611 HA3 GLY 92 HA3 GLY 92 55.096 22.867 7.488 612 H GLY 93 H GLY 93 55.790 23.995 5.383 613 HA2 GLY 93 HA2 GLY 93 56.293 26.558 5.584 614 HA3 GLY 93 HA3 GLY 93 57.923 25.953 5.843 615 H SER 94 H SER 94 55.466 26.640 3.540 616 HA SER 94 HA SER 94 55.396 26.597 1.264 617 HB2 SER 94 HB2 SER 94 57.358 28.097 1.625 618 HB3 SER 94 HB3 SER 94 58.414 26.691 1.491 619 HG SER 94 HG SER 94 58.007 26.558 -0.616 620 HA PRO 95 HA PRO 95 53.919 25.538 0.658 621 HB2 PRO 95 HB2 PRO 95 52.269 23.446 1.178 622 HB3 PRO 95 HB3 PRO 95 52.905 23.790 -0.435 623 HG2 PRO 95 HG2 PRO 95 53.854 21.801 1.591 624 HG3 PRO 95 HG3 PRO 95 53.655 21.606 -0.161 625 HD2 PRO 95 HD2 PRO 95 56.063 22.061 0.991 626 HD3 PRO 95 HD3 PRO 95 55.653 22.656 -0.631 627 HA PRO 96 HA PRO 96 53.213 26.212 4.948 628 HB2 PRO 96 HB2 PRO 96 50.578 26.864 4.970 629 HB3 PRO 96 HB3 PRO 96 51.829 27.939 4.335 630 HG2 PRO 96 HG2 PRO 96 49.978 26.106 2.859 631 HG3 PRO 96 HG3 PRO 96 50.453 27.769 2.468 632 HD2 PRO 96 HD2 PRO 96 51.552 25.615 1.249 633 HD3 PRO 96 HD3 PRO 96 52.459 27.112 1.543 634 H VAL 97 H VAL 97 51.960 25.499 6.830 635 HA VAL 97 HA VAL 97 51.496 22.680 6.760 636 HB VAL 97 HB VAL 97 52.463 23.843 8.729 637 HG11 VAL 97 HG11 VAL 97 51.069 25.843 8.690 638 HG12 VAL 97 HG12 VAL 97 49.653 24.876 9.107 639 HG13 VAL 97 HG13 VAL 97 50.979 25.044 10.259 640 HG21 VAL 97 HG21 VAL 97 50.896 21.652 8.674 641 HG22 VAL 97 HG22 VAL 97 51.703 22.241 10.128 642 HG23 VAL 97 HG23 VAL 97 50.010 22.640 9.836 643 H ASP 98 H ASP 98 49.615 21.556 6.787 644 HA ASP 98 HA ASP 98 47.097 23.064 6.898 645 HB2 ASP 98 HB2 ASP 98 48.001 22.344 4.516 646 HB3 ASP 98 HB3 ASP 98 47.320 20.787 4.979 647 H GLY 99 H GLY 99 48.175 19.684 6.474 648 HA2 GLY 99 HA2 GLY 99 46.588 18.995 8.865 649 HA3 GLY 99 HA3 GLY 99 46.454 18.048 7.390 650 H GLY 100 H GLY 100 48.098 18.438 10.320 651 HA2 GLY 100 HA2 GLY 100 49.658 16.073 9.848 652 HA3 GLY 100 HA3 GLY 100 50.644 17.524 9.935 653 H SER 101 H SER 101 51.625 17.525 11.847 654 HA SER 101 HA SER 101 51.957 17.540 14.098 655 HB2 SER 101 HB2 SER 101 50.446 18.747 15.269 656 HB3 SER 101 HB3 SER 101 49.599 18.893 13.729 657 HG SER 101 HG SER 101 49.034 17.270 15.933 658 HA PRO 102 HA PRO 102 51.413 13.455 15.599 659 HB2 PRO 102 HB2 PRO 102 51.439 13.810 18.291 660 HB3 PRO 102 HB3 PRO 102 52.883 13.980 17.285 661 HG2 PRO 102 HG2 PRO 102 51.076 16.101 18.378 662 HG3 PRO 102 HG3 PRO 102 52.847 16.072 18.300 663 HD2 PRO 102 HD2 PRO 102 51.333 17.447 16.526 664 HD3 PRO 102 HD3 PRO 102 52.885 16.706 16.084 665 HA PRO 103 HA PRO 103 51.192 11.944 17.615 666 HB2 PRO 103 HB2 PRO 103 49.981 9.538 17.278 667 HB3 PRO 103 HB3 PRO 103 49.829 10.491 18.758 668 HG2 PRO 103 HG2 PRO 103 47.931 10.254 16.456 669 HG3 PRO 103 HG3 PRO 103 47.585 10.257 18.195 670 HD2 PRO 103 HD2 PRO 103 47.244 12.446 16.637 671 HD3 PRO 103 HD3 PRO 103 47.719 12.553 18.345 672 HA PRO 104 HA PRO 104 52.695 10.828 13.636 673 HB2 PRO 104 HB2 PRO 104 54.081 8.547 14.135 674 HB3 PRO 104 HB3 PRO 104 54.636 10.142 14.656 675 HG2 PRO 104 HG2 PRO 104 53.218 8.024 16.226 676 HG3 PRO 104 HG3 PRO 104 54.591 9.040 16.703 677 HD2 PRO 104 HD2 PRO 104 52.051 9.564 17.481 678 HD3 PRO 104 HD3 PRO 104 53.246 10.846 17.195 679 HA PRO 105 HA PRO 105 50.176 7.878 11.567 680 HB2 PRO 105 HB2 PRO 105 51.848 6.882 9.673 681 HB3 PRO 105 HB3 PRO 105 51.185 8.519 9.605 682 HG2 PRO 105 HG2 PRO 105 53.878 7.603 10.537 683 HG3 PRO 105 HG3 PRO 105 53.459 8.999 9.526 684 HD2 PRO 105 HD2 PRO 105 53.999 9.225 12.170 685 HD3 PRO 105 HD3 PRO 105 52.845 10.285 11.337 686 H SER 106 H SER 106 53.397 6.640 12.408 687 HA SER 106 HA SER 106 52.156 4.163 13.335 688 HB2 SER 106 HB2 SER 106 53.053 3.970 10.908 689 HB3 SER 106 HB3 SER 106 54.649 3.999 11.659 690 HG SER 106 HG SER 106 52.575 2.109 12.011 691 H THR 107 H THR 107 53.752 2.805 14.569 692 HA THR 107 HA THR 107 56.006 4.271 15.685 693 HB THR 107 HB THR 107 54.826 3.234 17.978 694 HG1 THR 107 HG1 THR 107 52.837 4.841 16.814 695 HG21 THR 107 HG21 THR 107 54.549 5.588 18.613 696 HG22 THR 107 HG22 THR 107 54.768 6.067 16.930 697 HG23 THR 107 HG23 THR 107 56.097 5.317 17.814 698 H HIS 108 H HIS 108 54.012 1.337 15.969 699 HA HIS 108 HA HIS 108 54.579 -0.826 16.476 700 HB2 HIS 108 HB2 HIS 108 55.940 -1.817 14.846 701 HB3 HIS 108 HB3 HIS 108 55.326 -0.373 14.047 702 HD1 HIS 108 HD1 HIS 108 58.453 -1.644 15.756 703 HD2 HIS 108 HD2 HIS 108 57.248 1.348 13.137 704 HE1 HIS 108 HE1 HIS 108 60.575 -0.560 14.951 Start of MODEL 5 1 H1 ALA 1 H ALA 1 2.063 4.944 3.448 2 HA ALA 1 HA ALA 1 2.219 5.399 0.756 3 HB1 ALA 1 HB1 ALA 1 4.300 5.600 2.906 4 HB2 ALA 1 HB2 ALA 1 4.652 6.049 1.236 5 HB3 ALA 1 HB3 ALA 1 3.382 6.889 2.126 6 H GLY 2 H GLY 2 4.030 2.972 2.613 7 HA2 GLY 2 HA2 GLY 2 4.625 0.845 1.776 8 HA3 GLY 2 HA3 GLY 2 4.404 1.452 0.141 9 H SER 3 H SER 3 6.589 1.166 2.833 10 HA SER 3 HA SER 3 8.872 1.278 1.157 11 HB2 SER 3 HB2 SER 3 9.518 3.406 2.890 12 HB3 SER 3 HB3 SER 3 9.308 3.476 1.140 13 HG SER 3 HG SER 3 7.535 4.169 3.184 14 H LYS 4 H LYS 4 10.676 0.473 2.167 15 HA LYS 4 HA LYS 4 11.036 0.400 4.976 16 HB2 LYS 4 HB2 LYS 4 9.173 -1.417 4.217 17 HB3 LYS 4 HB3 LYS 4 10.637 -2.376 4.039 18 HG2 LYS 4 HG2 LYS 4 10.902 -1.101 6.503 19 HG3 LYS 4 HG3 LYS 4 9.217 -1.620 6.424 20 HD2 LYS 4 HD2 LYS 4 11.278 -3.566 5.554 21 HD3 LYS 4 HD3 LYS 4 11.177 -3.216 7.281 22 HE2 LYS 4 HE2 LYS 4 8.560 -3.616 6.103 23 HE3 LYS 4 HE3 LYS 4 9.612 -5.008 5.848 24 HZ1 LYS 4 HZ1 LYS 4 8.587 -3.886 8.352 25 HZ2 LYS 4 HZ2 LYS 4 10.106 -4.629 8.376 26 HZ3 LYS 4 HZ3 LYS 4 8.745 -5.503 7.881 27 H LEU 5 H LEU 5 12.964 -0.799 5.603 28 HA LEU 5 HA LEU 5 14.924 -0.785 3.459 29 HB2 LEU 5 HB2 LEU 5 14.957 -0.584 6.384 30 HB3 LEU 5 HB3 LEU 5 16.290 -1.515 5.703 31 HG LEU 5 HG LEU 5 15.633 1.269 4.773 32 HD11 LEU 5 HD11 LEU 5 16.105 1.772 6.955 33 HD12 LEU 5 HD12 LEU 5 17.731 1.754 6.273 34 HD13 LEU 5 HD13 LEU 5 17.138 0.360 7.176 35 HD21 LEU 5 HD21 LEU 5 18.139 -0.404 4.636 36 HD22 LEU 5 HD22 LEU 5 17.949 1.233 4.009 37 HD23 LEU 5 HD23 LEU 5 17.028 -0.096 3.301 38 H CYS 6 H CYS 6 16.348 -2.533 3.032 39 HA CYS 6 HA CYS 6 15.278 -5.163 3.823 40 HB2 CYS 6 HB2 CYS 6 16.236 -4.142 1.175 41 HB3 CYS 6 HB3 CYS 6 16.407 -5.853 1.554 42 H GLU 7 H GLU 7 16.701 -6.727 4.460 43 HA GLU 7 HA GLU 7 19.556 -6.004 4.493 44 HB2 GLU 7 HB2 GLU 7 19.728 -7.075 6.719 45 HB3 GLU 7 HB3 GLU 7 18.691 -5.655 6.724 46 HG2 GLU 7 HG2 GLU 7 16.719 -7.072 6.679 47 HG3 GLU 7 HG3 GLU 7 17.738 -8.509 6.622 48 H LYS 8 H LYS 8 20.979 -7.591 3.986 49 HA LYS 8 HA LYS 8 19.857 -10.258 3.420 50 HB2 LYS 8 HB2 LYS 8 22.119 -8.876 1.966 51 HB3 LYS 8 HB3 LYS 8 21.454 -10.459 1.586 52 HG2 LYS 8 HG2 LYS 8 19.656 -8.082 1.579 53 HG3 LYS 8 HG3 LYS 8 20.743 -8.358 0.216 54 HD2 LYS 8 HD2 LYS 8 19.739 -10.419 -0.305 55 HD3 LYS 8 HD3 LYS 8 18.927 -10.514 1.260 56 HE2 LYS 8 HE2 LYS 8 17.140 -9.751 0.139 57 HE3 LYS 8 HE3 LYS 8 17.932 -8.182 0.272 58 HZ1 LYS 8 HZ1 LYS 8 17.170 -9.309 -2.039 59 HZ2 LYS 8 HZ2 LYS 8 18.793 -9.781 -1.975 60 HZ3 LYS 8 HZ3 LYS 8 18.386 -8.140 -1.906 61 H THR 9 H THR 9 21.038 -12.052 4.004 62 HA THR 9 HA THR 9 23.449 -11.537 5.622 63 HB THR 9 HB THR 9 22.654 -13.835 6.702 64 HG1 THR 9 HG1 THR 9 20.775 -14.066 5.468 65 HG21 THR 9 HG21 THR 9 23.017 -11.585 7.796 66 HG22 THR 9 HG22 THR 9 21.784 -12.603 8.540 67 HG23 THR 9 HG23 THR 9 21.310 -11.259 7.502 68 H SER 10 H SER 10 24.220 -11.871 3.231 69 HA SER 10 HA SER 10 25.321 -13.146 1.696 70 HB2 SER 10 HB2 SER 10 26.842 -13.535 3.531 71 HB3 SER 10 HB3 SER 10 25.798 -14.795 4.188 72 HG SER 10 HG SER 10 26.750 -16.150 2.913 73 H LYS 11 H LYS 11 22.488 -13.622 1.978 74 HA LYS 11 HA LYS 11 21.872 -16.376 1.921 75 HB2 LYS 11 HB2 LYS 11 20.297 -14.287 0.438 76 HB3 LYS 11 HB3 LYS 11 19.712 -15.741 1.236 77 HG2 LYS 11 HG2 LYS 11 20.872 -14.322 3.290 78 HG3 LYS 11 HG3 LYS 11 20.126 -13.070 2.295 79 HD2 LYS 11 HD2 LYS 11 18.464 -15.452 2.758 80 HD3 LYS 11 HD3 LYS 11 18.824 -14.499 4.200 81 HE2 LYS 11 HE2 LYS 11 17.370 -12.930 3.591 82 HE3 LYS 11 HE3 LYS 11 18.130 -12.773 2.008 83 HZ1 LYS 11 HZ1 LYS 11 16.525 -13.959 1.054 84 HZ2 LYS 11 HZ2 LYS 11 15.637 -13.731 2.476 85 HZ3 LYS 11 HZ3 LYS 11 16.539 -15.146 2.260 86 H THR 12 H THR 12 23.229 -14.248 -0.422 87 HA THR 12 HA THR 12 23.011 -16.369 -2.458 88 HB THR 12 HB THR 12 22.871 -14.774 -4.201 89 HG1 THR 12 HG1 THR 12 24.297 -13.196 -3.568 90 HG21 THR 12 HG21 THR 12 21.150 -13.821 -1.908 91 HG22 THR 12 HG22 THR 12 20.751 -15.096 -3.060 92 HG23 THR 12 HG23 THR 12 20.889 -13.425 -3.606 93 H TYR 13 H TYR 13 25.022 -14.047 -0.827 94 HA TYR 13 HA TYR 13 27.266 -13.940 -2.415 95 HB2 TYR 13 HB2 TYR 13 26.980 -12.665 -0.319 96 HB3 TYR 13 HB3 TYR 13 27.216 -14.145 0.604 97 HD1 TYR 13 HD2 TYR 13 29.424 -15.161 0.785 98 HD2 TYR 13 HD1 TYR 13 28.846 -11.552 -1.393 99 HE1 TYR 13 HE2 TYR 13 31.853 -14.772 0.795 100 HE2 TYR 13 HE1 TYR 13 31.273 -11.154 -1.390 101 HH TYR 13 HH TYR 13 33.286 -12.058 -0.953 102 H SER 14 H SER 14 27.254 -16.018 0.465 103 HA SER 14 HA SER 14 28.132 -18.078 0.866 104 HB2 SER 14 HB2 SER 14 26.747 -18.295 -1.595 105 HB3 SER 14 HB3 SER 14 28.260 -19.181 -1.782 106 HG SER 14 HG SER 14 26.652 -20.519 -0.910 107 H GLY 15 H GLY 15 30.019 -19.508 0.401 108 HA2 GLY 15 HA2 GLY 15 32.221 -19.862 -0.204 109 HA3 GLY 15 HA3 GLY 15 32.075 -18.544 -1.356 110 H LYS 16 H LYS 16 34.389 -18.452 -0.328 111 HA LYS 16 HA LYS 16 34.881 -17.498 2.211 112 HB2 LYS 16 HB2 LYS 16 36.941 -16.535 1.313 113 HB3 LYS 16 HB3 LYS 16 36.651 -18.134 0.640 114 HG2 LYS 16 HG2 LYS 16 35.434 -16.480 -1.182 115 HG3 LYS 16 HG3 LYS 16 36.853 -15.552 -0.687 116 HD2 LYS 16 HD2 LYS 16 38.317 -17.350 -1.283 117 HD3 LYS 16 HD3 LYS 16 36.954 -18.436 -1.563 118 HE2 LYS 16 HE2 LYS 16 36.249 -17.149 -3.464 119 HE3 LYS 16 HE3 LYS 16 37.454 -15.908 -3.127 120 HZ1 LYS 16 HZ1 LYS 16 38.110 -17.430 -4.923 121 HZ2 LYS 16 HZ2 LYS 16 38.087 -18.722 -3.832 122 HZ3 LYS 16 HZ3 LYS 16 39.196 -17.461 -3.626 123 H CYS 17 H CYS 17 34.568 -15.635 3.268 124 HA CYS 17 HA CYS 17 33.199 -13.478 1.852 125 HB2 CYS 17 HB2 CYS 17 32.216 -14.355 3.947 126 HB3 CYS 17 HB3 CYS 17 33.664 -13.860 4.817 127 H ASP 18 H ASP 18 33.946 -11.393 1.736 128 HA ASP 18 HA ASP 18 36.594 -10.826 2.870 129 HB2 ASP 18 HB2 ASP 18 36.179 -11.357 0.168 130 HB3 ASP 18 HB3 ASP 18 36.237 -9.598 0.257 131 H ASN 19 H ASN 19 36.936 -8.294 1.810 132 HA ASN 19 HA ASN 19 34.909 -6.823 3.306 133 HB2 ASN 19 HB2 ASN 19 37.139 -6.241 3.911 134 HB3 ASN 19 HB3 ASN 19 37.625 -6.069 2.227 135 HD21 ASN 19 HD22 ASN 19 35.060 -4.799 4.332 136 HD22 ASN 19 HD21 ASN 19 35.265 -3.148 3.867 137 H LYS 20 H LYS 20 36.728 -5.851 0.418 138 HA LYS 20 HA LYS 20 34.610 -4.303 -0.621 139 HB2 LYS 20 HB2 LYS 20 37.176 -4.230 -1.108 140 HB3 LYS 20 HB3 LYS 20 36.791 -5.406 -2.358 141 HG2 LYS 20 HG2 LYS 20 34.941 -3.264 -2.564 142 HG3 LYS 20 HG3 LYS 20 36.567 -2.587 -2.453 143 HD2 LYS 20 HD2 LYS 20 37.244 -3.536 -4.421 144 HD3 LYS 20 HD3 LYS 20 36.139 -4.904 -4.267 145 HE2 LYS 20 HE2 LYS 20 35.405 -3.505 -6.081 146 HE3 LYS 20 HE3 LYS 20 34.252 -3.373 -4.754 147 HZ1 LYS 20 HZ1 LYS 20 34.588 -1.200 -4.678 148 HZ2 LYS 20 HZ2 LYS 20 35.589 -1.314 -6.037 149 HZ3 LYS 20 HZ3 LYS 20 36.257 -1.403 -4.486 150 H LYS 21 H LYS 21 35.644 -7.613 -1.180 151 HA LYS 21 HA LYS 21 34.128 -8.168 -3.467 152 HB2 LYS 21 HB2 LYS 21 34.972 -9.991 -1.208 153 HB3 LYS 21 HB3 LYS 21 34.288 -10.550 -2.729 154 HG2 LYS 21 HG2 LYS 21 36.874 -9.046 -2.383 155 HG3 LYS 21 HG3 LYS 21 36.696 -10.763 -2.751 156 HD2 LYS 21 HD2 LYS 21 36.961 -10.040 -4.878 157 HD3 LYS 21 HD3 LYS 21 35.232 -9.711 -4.747 158 HE2 LYS 21 HE2 LYS 21 35.609 -7.553 -5.104 159 HE3 LYS 21 HE3 LYS 21 36.638 -7.489 -3.674 160 HZ1 LYS 21 HZ1 LYS 21 38.488 -8.274 -5.093 161 HZ2 LYS 21 HZ2 LYS 21 37.890 -6.760 -5.552 162 HZ3 LYS 21 HZ3 LYS 21 37.480 -8.137 -6.445 163 H CYS 22 H CYS 22 33.297 -8.346 -0.035 164 HA CYS 22 HA CYS 22 30.776 -9.548 -0.319 165 HB2 CYS 22 HB2 CYS 22 32.330 -8.413 1.788 166 HB3 CYS 22 HB3 CYS 22 30.707 -7.736 1.878 167 H ASP 23 H ASP 23 31.639 -6.107 0.011 168 HA ASP 23 HA ASP 23 29.081 -5.042 -0.211 169 HB2 ASP 23 HB2 ASP 23 31.398 -3.912 0.282 170 HB3 ASP 23 HB3 ASP 23 31.412 -3.631 -1.456 171 H LYS 24 H LYS 24 31.489 -5.483 -2.804 172 HA LYS 24 HA LYS 24 29.846 -4.655 -4.914 173 HB2 LYS 24 HB2 LYS 24 32.200 -4.815 -5.278 174 HB3 LYS 24 HB3 LYS 24 32.219 -6.516 -4.831 175 HG2 LYS 24 HG2 LYS 24 30.922 -7.056 -6.832 176 HG3 LYS 24 HG3 LYS 24 30.913 -5.350 -7.282 177 HD2 LYS 24 HD2 LYS 24 33.090 -5.372 -7.938 178 HD3 LYS 24 HD3 LYS 24 33.552 -6.582 -6.739 179 HE2 LYS 24 HE2 LYS 24 33.586 -8.048 -8.418 180 HE3 LYS 24 HE3 LYS 24 31.826 -7.943 -8.415 181 HZ1 LYS 24 HZ1 LYS 24 32.918 -7.567 -10.615 182 HZ2 LYS 24 HZ2 LYS 24 33.553 -6.127 -9.997 183 HZ3 LYS 24 HZ3 LYS 24 31.878 -6.327 -10.121 184 H LYS 25 H LYS 25 30.493 -7.916 -3.657 185 HA LYS 25 HA LYS 25 28.897 -9.324 -5.478 186 HB2 LYS 25 HB2 LYS 25 30.575 -10.305 -3.879 187 HB3 LYS 25 HB3 LYS 25 29.394 -10.079 -2.596 188 HG2 LYS 25 HG2 LYS 25 28.168 -11.848 -3.233 189 HG3 LYS 25 HG3 LYS 25 28.411 -11.531 -4.953 190 HD2 LYS 25 HD2 LYS 25 30.855 -12.343 -3.589 191 HD3 LYS 25 HD3 LYS 25 29.579 -13.559 -3.497 192 HE2 LYS 25 HE2 LYS 25 29.468 -13.793 -5.809 193 HE3 LYS 25 HE3 LYS 25 30.242 -12.236 -6.101 194 HZ1 LYS 25 HZ1 LYS 25 31.979 -13.930 -4.650 195 HZ2 LYS 25 HZ2 LYS 25 32.209 -13.221 -6.168 196 HZ3 LYS 25 HZ3 LYS 25 31.447 -14.726 -6.046 197 H CYS 26 H CYS 26 28.085 -7.520 -2.610 198 HA CYS 26 HA CYS 26 25.495 -8.596 -2.202 199 HB2 CYS 26 HB2 CYS 26 26.929 -6.125 -1.305 200 HB3 CYS 26 HB3 CYS 26 25.191 -6.250 -1.051 201 H ILE 27 H ILE 27 26.617 -5.639 -3.832 202 HA ILE 27 HA ILE 27 23.983 -4.967 -4.758 203 HB ILE 27 HB ILE 27 26.590 -3.851 -5.782 204 HG12 ILE 27 HG12 ILE 27 25.326 -2.144 -3.862 205 HG13 ILE 27 HG13 ILE 27 25.559 -3.731 -3.137 206 HG21 ILE 27 HG21 ILE 27 25.114 -2.871 -7.168 207 HG22 ILE 27 HG22 ILE 27 23.744 -3.197 -6.107 208 HG23 ILE 27 HG23 ILE 27 24.800 -1.822 -5.786 209 HD11 ILE 27 HD11 ILE 27 27.561 -1.744 -4.045 210 HD12 ILE 27 HD12 ILE 27 27.537 -2.754 -2.599 211 HD13 ILE 27 HD13 ILE 27 27.972 -3.455 -4.158 212 H GLU 28 H GLU 28 26.462 -7.039 -5.834 213 HA GLU 28 HA GLU 28 25.755 -6.922 -8.635 214 HB2 GLU 28 HB2 GLU 28 27.687 -8.534 -7.004 215 HB3 GLU 28 HB3 GLU 28 27.287 -9.036 -8.640 216 HG2 GLU 28 HG2 GLU 28 27.942 -6.220 -8.501 217 HG3 GLU 28 HG3 GLU 28 29.246 -7.239 -7.893 218 H TRP 29 H TRP 29 25.307 -9.162 -5.928 219 HA TRP 29 HA TRP 29 23.490 -10.761 -7.591 220 HB2 TRP 29 HB2 TRP 29 25.003 -11.349 -5.057 221 HB3 TRP 29 HB3 TRP 29 23.648 -12.353 -5.565 222 HD1 TRP 29 HD1 TRP 29 26.762 -10.962 -7.447 223 HE1 TRP 29 HE1 TRP 29 27.809 -12.907 -8.768 224 HE3 TRP 29 HE3 TRP 29 23.546 -14.695 -6.082 225 HZ2 TRP 29 HZ2 TRP 29 27.334 -15.660 -9.177 226 HZ3 TRP 29 HZ3 TRP 29 23.912 -16.955 -6.983 227 HH2 TRP 29 HH2 TRP 29 25.767 -17.425 -8.499 228 H GLU 30 H GLU 30 23.695 -9.373 -4.314 229 HA GLU 30 HA GLU 30 20.844 -9.680 -3.929 230 HB2 GLU 30 HB2 GLU 30 22.979 -8.416 -2.203 231 HB3 GLU 30 HB3 GLU 30 21.294 -8.586 -1.732 232 HG2 GLU 30 HG2 GLU 30 21.530 -10.743 -1.205 233 HG3 GLU 30 HG3 GLU 30 22.535 -11.079 -2.614 234 H LYS 31 H LYS 31 22.659 -7.540 -5.608 235 HA LYS 31 HA LYS 31 22.460 -5.347 -6.243 236 HB2 LYS 31 HB2 LYS 31 19.502 -5.876 -5.977 237 HB3 LYS 31 HB3 LYS 31 20.308 -4.798 -7.110 238 HG2 LYS 31 HG2 LYS 31 20.331 -7.805 -7.112 239 HG3 LYS 31 HG3 LYS 31 19.604 -6.728 -8.307 240 HD2 LYS 31 HD2 LYS 31 22.551 -6.995 -7.713 241 HD3 LYS 31 HD3 LYS 31 21.712 -7.644 -9.124 242 HE2 LYS 31 HE2 LYS 31 22.086 -4.745 -8.392 243 HE3 LYS 31 HE3 LYS 31 22.809 -5.603 -9.751 244 HZ1 LYS 31 HZ1 LYS 31 21.062 -4.568 -10.764 245 HZ2 LYS 31 HZ2 LYS 31 20.056 -4.652 -9.407 246 HZ3 LYS 31 HZ3 LYS 31 20.320 -6.031 -10.350 247 H ALA 32 H ALA 32 22.733 -5.691 -3.404 248 HA ALA 32 HA ALA 32 20.899 -3.907 -2.093 249 HB1 ALA 32 HB1 ALA 32 21.840 -4.595 -0.159 250 HB2 ALA 32 HB2 ALA 32 22.450 -5.898 -1.181 251 HB3 ALA 32 HB3 ALA 32 23.481 -4.518 -0.802 252 H GLN 33 H GLN 33 22.501 -2.374 -0.475 253 HA GLN 33 HA GLN 33 23.700 -0.507 -2.409 254 HB2 GLN 33 HB2 GLN 33 21.826 -0.144 -0.241 255 HB3 GLN 33 HB3 GLN 33 23.254 0.853 0.004 256 HG2 GLN 33 HG2 GLN 33 21.835 0.823 -2.629 257 HG3 GLN 33 HG3 GLN 33 21.261 1.824 -1.296 258 HE21 GLN 33 HE22 GLN 33 22.077 3.786 -1.140 259 HE22 GLN 33 HE21 GLN 33 23.538 4.340 -1.877 260 H HIS 34 H HIS 34 24.039 -1.756 0.899 261 HA HIS 34 HA HIS 34 26.933 -1.254 0.691 262 HB2 HIS 34 HB2 HIS 34 25.328 -1.014 3.240 263 HB3 HIS 34 HB3 HIS 34 27.028 -0.618 3.011 264 HD1 HIS 34 HD1 HIS 34 27.309 1.359 1.009 265 HD2 HIS 34 HD2 HIS 34 23.783 1.191 3.200 266 HE1 HIS 34 HE1 HIS 34 26.255 3.628 0.760 267 H GLY 35 H GLY 35 28.289 -2.713 1.870 268 HA2 GLY 35 HA2 GLY 35 26.953 -5.223 2.662 269 HA3 GLY 35 HA3 GLY 35 28.347 -5.239 1.592 270 H ALA 36 H ALA 36 28.369 -6.681 3.929 271 HA ALA 36 HA ALA 36 30.641 -5.498 5.262 272 HB1 ALA 36 HB1 ALA 36 29.787 -5.160 7.352 273 HB2 ALA 36 HB2 ALA 36 28.373 -4.746 6.382 274 HB3 ALA 36 HB3 ALA 36 28.491 -6.336 7.136 275 H CYS 37 H CYS 37 31.645 -7.009 6.812 276 HA CYS 37 HA CYS 37 30.878 -9.810 6.367 277 HB2 CYS 37 HB2 CYS 37 32.774 -9.091 4.851 278 HB3 CYS 37 HB3 CYS 37 33.742 -8.855 6.303 279 H HIS 38 H HIS 38 31.092 -11.136 8.104 280 HA HIS 38 HA HIS 38 32.578 -10.224 10.441 281 HB2 HIS 38 HB2 HIS 38 29.828 -9.811 10.276 282 HB3 HIS 38 HB3 HIS 38 29.989 -11.267 11.253 283 HD1 HIS 38 HD1 HIS 38 32.731 -10.277 12.602 284 HD2 HIS 38 HD2 HIS 38 29.132 -8.207 12.438 285 HE1 HIS 38 HE1 HIS 38 32.802 -8.652 14.520 286 H LYS 39 H LYS 39 33.680 -11.857 11.298 287 HA LYS 39 HA LYS 39 33.060 -14.576 10.439 288 HB2 LYS 39 HB2 LYS 39 35.393 -13.571 10.319 289 HB3 LYS 39 HB3 LYS 39 35.429 -13.675 12.075 290 HG2 LYS 39 HG2 LYS 39 34.729 -16.135 10.582 291 HG3 LYS 39 HG3 LYS 39 36.404 -15.582 10.511 292 HD2 LYS 39 HD2 LYS 39 34.906 -15.908 13.101 293 HD3 LYS 39 HD3 LYS 39 35.831 -17.218 12.364 294 HE2 LYS 39 HE2 LYS 39 37.549 -15.031 12.328 295 HE3 LYS 39 HE3 LYS 39 36.745 -14.938 13.894 296 HZ1 LYS 39 HZ1 LYS 39 37.998 -17.423 12.878 297 HZ2 LYS 39 HZ2 LYS 39 37.483 -17.091 14.454 298 HZ3 LYS 39 HZ3 LYS 39 38.834 -16.295 13.821 299 H ARG 40 H ARG 40 32.210 -16.089 11.728 300 HA ARG 40 HA ARG 40 32.475 -15.998 14.588 301 HB2 ARG 40 HB2 ARG 40 30.170 -14.804 13.342 302 HB3 ARG 40 HB3 ARG 40 29.681 -16.202 14.289 303 HG2 ARG 40 HG2 ARG 40 31.574 -14.469 15.674 304 HG3 ARG 40 HG3 ARG 40 30.056 -13.673 15.253 305 HD2 ARG 40 HD2 ARG 40 30.340 -16.266 16.768 306 HD3 ARG 40 HD3 ARG 40 29.945 -14.698 17.469 307 HE ARG 40 HE ARG 40 28.093 -15.341 15.440 308 HH11 ARG 40 HH12 ARG 40 28.987 -16.219 18.688 309 HH12 ARG 40 HH11 ARG 40 27.392 -16.734 19.127 310 HH21 ARG 40 HH22 ARG 40 25.989 -16.017 16.006 311 HH22 ARG 40 HH21 ARG 40 25.688 -16.620 17.600 312 H GLU 41 H GLU 41 30.961 -17.791 15.561 313 HA GLU 41 HA GLU 41 30.713 -20.053 15.746 314 HB2 GLU 41 HB2 GLU 41 29.633 -19.619 12.956 315 HB3 GLU 41 HB3 GLU 41 29.424 -21.100 13.881 316 HG2 GLU 41 HG2 GLU 41 27.830 -20.216 15.197 317 HG3 GLU 41 HG3 GLU 41 28.592 -18.627 15.238 318 H ALA 42 H ALA 42 32.959 -20.514 15.855 319 HA ALA 42 HA ALA 42 34.840 -21.665 15.290 320 HB1 ALA 42 HB1 ALA 42 34.376 -23.129 13.055 321 HB2 ALA 42 HB2 ALA 42 33.933 -23.629 14.687 322 HB3 ALA 42 HB3 ALA 42 32.733 -22.871 13.641 323 H GLY 43 H GLY 43 33.676 -21.421 11.963 324 HA2 GLY 43 HA2 GLY 43 35.542 -19.243 11.411 325 HA3 GLY 43 HA3 GLY 43 35.854 -20.775 10.608 326 H LYS 44 H LYS 44 32.626 -19.606 11.278 327 HA LYS 44 HA LYS 44 32.118 -19.518 8.398 328 HB2 LYS 44 HB2 LYS 44 30.146 -19.434 10.688 329 HB3 LYS 44 HB3 LYS 44 29.758 -19.624 8.983 330 HG2 LYS 44 HG2 LYS 44 30.341 -21.812 8.950 331 HG3 LYS 44 HG3 LYS 44 31.607 -21.609 10.163 332 HD2 LYS 44 HD2 LYS 44 29.315 -21.048 11.573 333 HD3 LYS 44 HD3 LYS 44 28.798 -22.338 10.485 334 HE2 LYS 44 HE2 LYS 44 31.312 -23.109 11.456 335 HE3 LYS 44 HE3 LYS 44 30.432 -22.481 12.848 336 HZ1 LYS 44 HZ1 LYS 44 30.149 -24.920 12.347 337 HZ2 LYS 44 HZ2 LYS 44 29.249 -24.460 10.991 338 HZ3 LYS 44 HZ3 LYS 44 28.719 -24.036 12.540 339 H GLU 45 H GLU 45 32.335 -17.605 7.451 340 HA GLU 45 HA GLU 45 31.854 -15.165 8.987 341 HB2 GLU 45 HB2 GLU 45 33.572 -15.906 6.766 342 HB3 GLU 45 HB3 GLU 45 32.664 -14.440 6.420 343 HG2 GLU 45 HG2 GLU 45 33.480 -13.490 8.558 344 HG3 GLU 45 HG3 GLU 45 34.479 -14.927 8.769 345 H SER 46 H SER 46 30.090 -13.957 8.738 346 HA SER 46 HA SER 46 28.230 -14.661 6.576 347 HB2 SER 46 HB2 SER 46 27.171 -12.876 8.621 348 HB3 SER 46 HB3 SER 46 26.558 -14.433 8.064 349 HG SER 46 HG SER 46 27.289 -14.299 10.325 350 H CYS 47 H CYS 47 27.227 -13.052 5.333 351 HA CYS 47 HA CYS 47 28.672 -10.486 5.299 352 HB2 CYS 47 HB2 CYS 47 28.850 -12.072 3.292 353 HB3 CYS 47 HB3 CYS 47 27.168 -11.665 2.968 354 H PHE 48 H PHE 48 27.538 -8.809 5.990 355 HA PHE 48 HA PHE 48 24.608 -8.931 5.888 356 HB2 PHE 48 HB2 PHE 48 26.551 -7.816 7.766 357 HB3 PHE 48 HB3 PHE 48 25.264 -6.685 7.359 358 HD1 PHE 48 HD2 PHE 48 22.870 -8.095 7.195 359 HD2 PHE 48 HD1 PHE 48 26.185 -8.903 9.740 360 HE1 PHE 48 HE2 PHE 48 21.371 -9.232 8.781 361 HE2 PHE 48 HE1 PHE 48 24.692 -10.042 11.329 362 HZ PHE 48 HZ PHE 48 22.282 -10.206 10.852 363 H CYS 49 H CYS 49 23.499 -7.696 4.522 364 HA CYS 49 HA CYS 49 24.833 -5.351 3.343 365 HB2 CYS 49 HB2 CYS 49 22.889 -7.040 1.789 366 HB3 CYS 49 HB3 CYS 49 24.067 -5.879 1.185 367 H TYR 50 H TYR 50 23.518 -3.583 2.843 368 HA TYR 50 HA TYR 50 20.740 -3.722 3.798 369 HB2 TYR 50 HB2 TYR 50 22.663 -1.464 4.392 370 HB3 TYR 50 HB3 TYR 50 20.981 -1.562 4.901 371 HD1 TYR 50 HD1 TYR 50 20.639 -4.178 5.979 372 HD2 TYR 50 HD2 TYR 50 24.052 -1.650 6.223 373 HE1 TYR 50 HE1 TYR 50 21.328 -5.318 8.047 374 HE2 TYR 50 HE2 TYR 50 24.751 -2.783 8.291 375 HH TYR 50 HH TYR 50 23.457 -4.128 10.179 376 H PHE 51 H PHE 51 19.279 -2.758 2.517 377 HA PHE 51 HA PHE 51 20.084 -0.704 0.629 378 HB2 PHE 51 HB2 PHE 51 20.531 -2.550 -0.772 379 HB3 PHE 51 HB3 PHE 51 19.115 -3.430 -0.206 380 HD1 PHE 51 HD2 PHE 51 19.875 -0.148 -1.819 381 HD2 PHE 51 HD1 PHE 51 17.376 -3.591 -1.679 382 HE1 PHE 51 HE2 PHE 51 18.582 0.718 -3.725 383 HE2 PHE 51 HE1 PHE 51 16.079 -2.730 -3.585 384 HZ PHE 51 HZ PHE 51 16.680 -0.573 -4.609 385 H ASP 52 H ASP 52 18.382 0.566 -0.103 386 HA ASP 52 HA ASP 52 16.064 0.584 1.577 387 HB2 ASP 52 HB2 ASP 52 15.384 2.508 0.041 388 HB3 ASP 52 HB3 ASP 52 16.878 2.714 0.951 389 H CYS 53 H CYS 53 14.180 -0.389 1.249 390 HA CYS 53 HA CYS 53 13.598 -1.430 -1.444 391 HB2 CYS 53 HB2 CYS 53 13.242 -2.557 1.277 392 HB3 CYS 53 HB3 CYS 53 11.957 -2.885 0.119 393 H SER 54 H SER 54 11.430 -1.366 -2.194 394 HA SER 54 HA SER 54 9.540 -0.186 -2.696 395 HB2 SER 54 HB2 SER 54 9.297 -0.604 0.282 396 HB3 SER 54 HB3 SER 54 8.008 0.136 -0.669 397 HG SER 54 HG SER 54 9.087 -2.470 -0.920 398 H LYS 55 H LYS 55 11.841 1.432 -2.419 399 HA LYS 55 HA LYS 55 12.468 3.614 -2.279 400 HB2 LYS 55 HB2 LYS 55 9.477 3.849 -2.453 401 HB3 LYS 55 HB3 LYS 55 10.480 5.282 -2.266 402 HG2 LYS 55 HG2 LYS 55 10.282 5.197 -4.538 403 HG3 LYS 55 HG3 LYS 55 11.768 4.272 -4.311 404 HD2 LYS 55 HD2 LYS 55 10.509 2.974 -5.794 405 HD3 LYS 55 HD3 LYS 55 10.243 2.211 -4.225 406 HE2 LYS 55 HE2 LYS 55 8.053 2.536 -4.400 407 HE3 LYS 55 HE3 LYS 55 8.296 4.268 -4.622 408 HZ1 LYS 55 HZ1 LYS 55 8.501 3.970 -6.957 409 HZ2 LYS 55 HZ2 LYS 55 7.105 3.148 -6.473 410 HZ3 LYS 55 HZ3 LYS 55 8.518 2.284 -6.816 411 H SER 56 H SER 56 12.851 2.461 0.043 412 HA SER 56 HA SER 56 11.427 3.456 2.258 413 HB2 SER 56 HB2 SER 56 12.697 1.719 2.987 414 HB3 SER 56 HB3 SER 56 13.976 2.031 1.815 415 HG SER 56 HG SER 56 14.134 2.519 4.316 416 HA PRO 57 HA PRO 57 12.862 7.570 2.778 417 HB2 PRO 57 HB2 PRO 57 12.939 7.774 5.484 418 HB3 PRO 57 HB3 PRO 57 11.428 7.721 4.567 419 HG2 PRO 57 HG2 PRO 57 12.829 5.523 6.041 420 HG3 PRO 57 HG3 PRO 57 11.100 5.915 5.996 421 HD2 PRO 57 HD2 PRO 57 12.181 3.922 4.517 422 HD3 PRO 57 HD3 PRO 57 10.789 4.874 3.963 423 HA PRO 58 HA PRO 58 17.199 7.806 3.462 424 HB2 PRO 58 HB2 PRO 58 17.497 10.232 4.643 425 HB3 PRO 58 HB3 PRO 58 17.077 10.039 2.936 426 HG2 PRO 58 HG2 PRO 58 15.297 10.626 5.271 427 HG3 PRO 58 HG3 PRO 58 15.289 11.343 3.649 428 HD2 PRO 58 HD2 PRO 58 13.546 9.411 4.396 429 HD3 PRO 58 HD3 PRO 58 14.143 9.566 2.732 430 H GLY 59 H GLY 59 16.944 6.018 5.106 431 HA2 GLY 59 HA2 GLY 59 18.538 5.965 7.153 432 HA3 GLY 59 HA3 GLY 59 17.280 6.962 7.869 433 H ALA 60 H ALA 60 16.429 5.664 9.390 434 HA ALA 60 HA ALA 60 15.202 3.984 10.315 435 HB1 ALA 60 HB1 ALA 60 14.219 4.268 7.683 436 HB2 ALA 60 HB2 ALA 60 14.309 2.540 8.025 437 HB3 ALA 60 HB3 ALA 60 13.392 3.604 9.092 438 H THR 61 H THR 61 14.811 1.392 9.875 439 HA THR 61 HA THR 61 17.424 0.225 9.207 440 HB THR 61 HB THR 61 17.624 0.272 11.533 441 HG1 THR 61 HG1 THR 61 17.316 -1.938 12.147 442 HG21 THR 61 HG21 THR 61 15.397 1.043 12.098 443 HG22 THR 61 HG22 THR 61 15.796 -0.370 13.077 444 HG23 THR 61 HG23 THR 61 14.718 -0.532 11.691 445 HA PRO 62 HA PRO 62 15.053 -2.761 7.011 446 HB2 PRO 62 HB2 PRO 62 16.827 -4.816 6.984 447 HB3 PRO 62 HB3 PRO 62 17.023 -3.365 5.994 448 HG2 PRO 62 HG2 PRO 62 18.308 -4.065 8.606 449 HG3 PRO 62 HG3 PRO 62 19.034 -3.334 7.162 450 HD2 PRO 62 HD2 PRO 62 18.316 -1.877 9.328 451 HD3 PRO 62 HD3 PRO 62 18.245 -1.230 7.676 452 H ALA 63 H ALA 63 13.907 -4.721 7.263 453 HA ALA 63 HA ALA 63 12.749 -6.320 8.395 454 HB1 ALA 63 HB1 ALA 63 15.364 -6.807 8.969 455 HB2 ALA 63 HB2 ALA 63 14.669 -6.651 10.583 456 HB3 ALA 63 HB3 ALA 63 14.016 -7.837 9.453 457 HA PRO 64 HA PRO 64 10.522 -4.393 11.647 458 HB2 PRO 64 HB2 PRO 64 9.595 -6.518 13.061 459 HB3 PRO 64 HB3 PRO 64 8.976 -6.084 11.463 460 HG2 PRO 64 HG2 PRO 64 10.982 -8.176 12.214 461 HG3 PRO 64 HG3 PRO 64 9.639 -8.276 11.060 462 HD2 PRO 64 HD2 PRO 64 12.202 -7.874 10.283 463 HD3 PRO 64 HD3 PRO 64 10.818 -7.193 9.402 464 HA PRO 65 HA PRO 65 12.845 -3.977 15.357 465 HB2 PRO 65 HB2 PRO 65 10.920 -3.606 17.235 466 HB3 PRO 65 HB3 PRO 65 11.331 -2.384 16.026 467 HG2 PRO 65 HG2 PRO 65 9.072 -4.349 16.041 468 HG3 PRO 65 HG3 PRO 65 9.059 -2.632 15.595 469 HD2 PRO 65 HD2 PRO 65 9.128 -4.616 13.753 470 HD3 PRO 65 HD3 PRO 65 9.909 -3.043 13.492 471 H GLY 66 H GLY 66 13.758 -5.210 16.929 472 HA2 GLY 66 HA2 GLY 66 12.783 -6.937 18.720 473 HA3 GLY 66 HA3 GLY 66 12.725 -7.909 17.257 474 H ALA 67 H ALA 67 15.204 -6.309 16.372 475 HA ALA 67 HA ALA 67 17.182 -7.628 18.099 476 HB1 ALA 67 HB1 ALA 67 18.015 -7.674 15.337 477 HB2 ALA 67 HB2 ALA 67 17.911 -8.993 16.504 478 HB3 ALA 67 HB3 ALA 67 16.493 -8.538 15.559 479 H ALA 68 H ALA 68 18.656 -6.228 18.777 480 HA ALA 68 HA ALA 68 19.162 -3.821 17.154 481 HB1 ALA 68 HB1 ALA 68 20.085 -3.116 19.585 482 HB2 ALA 68 HB2 ALA 68 18.433 -2.826 19.040 483 HB3 ALA 68 HB3 ALA 68 18.796 -4.227 20.048 484 HA PRO 69 HA PRO 69 23.084 -6.308 17.175 485 HB2 PRO 69 HB2 PRO 69 23.616 -5.923 14.541 486 HB3 PRO 69 HB3 PRO 69 22.590 -7.236 15.132 487 HG2 PRO 69 HG2 PRO 69 21.801 -4.590 13.974 488 HG3 PRO 69 HG3 PRO 69 21.113 -6.195 13.668 489 HD2 PRO 69 HD2 PRO 69 19.952 -4.407 15.337 490 HD3 PRO 69 HD3 PRO 69 19.850 -6.160 15.596 491 HA PRO 70 HA PRO 70 25.856 -2.901 17.393 492 HB2 PRO 70 HB2 PRO 70 28.136 -3.912 16.321 493 HB3 PRO 70 HB3 PRO 70 27.521 -4.399 17.905 494 HG2 PRO 70 HG2 PRO 70 27.265 -5.786 15.264 495 HG3 PRO 70 HG3 PRO 70 27.633 -6.473 16.857 496 HD2 PRO 70 HD2 PRO 70 25.163 -6.594 15.754 497 HD3 PRO 70 HD3 PRO 70 25.422 -6.475 17.507 498 HA PRO 71 HA PRO 71 26.096 -0.585 13.663 499 HB2 PRO 71 HB2 PRO 71 28.428 0.774 13.948 500 HB3 PRO 71 HB3 PRO 71 26.981 1.142 14.894 501 HG2 PRO 71 HG2 PRO 71 29.387 -0.465 15.662 502 HG3 PRO 71 HG3 PRO 71 28.495 0.738 16.612 503 HD2 PRO 71 HD2 PRO 71 28.152 -1.927 16.945 504 HD3 PRO 71 HD3 PRO 71 26.837 -0.758 17.184 505 H ALA 72 H ALA 72 26.321 -2.317 12.168 506 HA ALA 72 HA ALA 72 27.332 -3.566 10.550 507 HB1 ALA 72 HB1 ALA 72 28.024 -0.995 10.157 508 HB2 ALA 72 HB2 ALA 72 29.622 -1.727 10.305 509 HB3 ALA 72 HB3 ALA 72 28.495 -2.311 9.081 510 H ALA 73 H ALA 73 29.893 -4.087 9.814 511 HA ALA 73 HA ALA 73 31.052 -5.278 12.249 512 HB1 ALA 73 HB1 ALA 73 30.078 -6.891 10.620 513 HB2 ALA 73 HB2 ALA 73 31.279 -6.355 9.444 514 HB3 ALA 73 HB3 ALA 73 31.796 -7.137 10.937 515 H GLY 74 H GLY 74 31.596 -2.635 10.950 516 HA2 GLY 74 HA2 GLY 74 33.472 -1.316 10.733 517 HA3 GLY 74 HA3 GLY 74 34.438 -2.711 11.191 518 H GLY 75 H GLY 75 36.033 -2.481 9.668 519 HA2 GLY 75 HA2 GLY 75 35.202 -3.080 6.911 520 HA3 GLY 75 HA3 GLY 75 36.280 -1.724 7.206 521 H SER 76 H SER 76 36.274 -4.756 6.126 522 HA SER 76 HA SER 76 37.799 -6.439 5.928 523 HB2 SER 76 HB2 SER 76 39.814 -4.264 6.529 524 HB3 SER 76 HB3 SER 76 40.097 -5.756 5.633 525 HG SER 76 HG SER 76 39.420 -4.773 3.917 526 HA PRO 77 HA PRO 77 38.173 -6.830 10.563 527 HB2 PRO 77 HB2 PRO 77 36.659 -9.076 10.747 528 HB3 PRO 77 HB3 PRO 77 35.973 -7.447 10.800 529 HG2 PRO 77 HG2 PRO 77 36.127 -9.364 8.506 530 HG3 PRO 77 HG3 PRO 77 34.776 -8.333 9.014 531 HD2 PRO 77 HD2 PRO 77 36.415 -7.680 6.959 532 HD3 PRO 77 HD3 PRO 77 35.663 -6.459 8.007 533 H SER 78 H SER 78 38.762 -8.792 7.791 534 HA SER 78 HA SER 78 41.166 -9.841 8.756 535 HB2 SER 78 HB2 SER 78 38.765 -11.421 9.398 536 HB3 SER 78 HB3 SER 78 40.052 -12.335 8.613 537 HG SER 78 HG SER 78 40.603 -10.629 10.789 538 HA PRO 79 HA PRO 79 41.697 -10.786 4.506 539 HB2 PRO 79 HB2 PRO 79 43.379 -12.915 4.583 540 HB3 PRO 79 HB3 PRO 79 43.891 -11.272 4.984 541 HG2 PRO 79 HG2 PRO 79 43.131 -13.519 6.811 542 HG3 PRO 79 HG3 PRO 79 44.475 -12.370 6.949 543 HD2 PRO 79 HD2 PRO 79 42.178 -12.102 8.357 544 HD3 PRO 79 HD3 PRO 79 43.130 -10.707 7.809 545 HA PRO 80 HA PRO 80 39.034 -13.977 3.071 546 HB2 PRO 80 HB2 PRO 80 40.259 -14.803 0.793 547 HB3 PRO 80 HB3 PRO 80 39.444 -13.241 0.933 548 HG2 PRO 80 HG2 PRO 80 42.362 -13.881 1.132 549 HG3 PRO 80 HG3 PRO 80 41.566 -12.536 0.294 550 HD2 PRO 80 HD2 PRO 80 42.736 -12.253 2.719 551 HD3 PRO 80 HD3 PRO 80 41.310 -11.315 2.231 552 H ALA 81 H ALA 81 39.209 -16.314 1.991 553 HA ALA 81 HA ALA 81 39.701 -18.517 2.285 554 HB1 ALA 81 HB1 ALA 81 42.244 -17.167 2.340 555 HB2 ALA 81 HB2 ALA 81 42.266 -18.591 3.381 556 HB3 ALA 81 HB3 ALA 81 41.826 -18.749 1.681 557 H ASP 82 H ASP 82 38.211 -18.861 3.931 558 HA ASP 82 HA ASP 82 39.375 -19.490 6.503 559 HB2 ASP 82 HB2 ASP 82 37.683 -18.187 7.774 560 HB3 ASP 82 HB3 ASP 82 38.796 -17.164 6.870 561 H GLY 83 H GLY 83 36.347 -19.171 4.662 562 HA2 GLY 83 HA2 GLY 83 35.691 -21.872 4.705 563 HA3 GLY 83 HA3 GLY 83 34.938 -21.153 6.121 564 H GLY 84 H GLY 84 32.864 -21.619 5.281 565 HA2 GLY 84 HA2 GLY 84 31.993 -19.640 3.291 566 HA3 GLY 84 HA3 GLY 84 31.585 -21.330 3.038 567 H SER 85 H SER 85 29.400 -20.183 3.039 568 HA SER 85 HA SER 85 28.016 -20.889 5.387 569 HB2 SER 85 HB2 SER 85 28.927 -18.081 5.176 570 HB3 SER 85 HB3 SER 85 27.234 -18.304 5.618 571 HG SER 85 HG SER 85 27.891 -18.825 7.532 572 HA PRO 86 HA PRO 86 25.607 -20.481 1.435 573 HB2 PRO 86 HB2 PRO 86 24.629 -23.013 1.497 574 HB3 PRO 86 HB3 PRO 86 26.188 -22.603 0.772 575 HG2 PRO 86 HG2 PRO 86 25.598 -23.750 3.474 576 HG3 PRO 86 HG3 PRO 86 26.868 -24.200 2.320 577 HD2 PRO 86 HD2 PRO 86 27.343 -22.622 4.469 578 HD3 PRO 86 HD3 PRO 86 28.226 -22.443 2.939 579 HA PRO 87 HA PRO 87 21.687 -19.793 3.304 580 HB2 PRO 87 HB2 PRO 87 19.952 -20.610 1.383 581 HB3 PRO 87 HB3 PRO 87 20.915 -19.134 1.243 582 HG2 PRO 87 HG2 PRO 87 21.405 -21.836 0.051 583 HG3 PRO 87 HG3 PRO 87 21.579 -20.236 -0.694 584 HD2 PRO 87 HD2 PRO 87 23.693 -21.642 0.246 585 HD3 PRO 87 HD3 PRO 87 23.636 -19.868 0.277 586 HA PRO 88 HA PRO 88 19.991 -23.374 5.210 587 HB2 PRO 88 HB2 PRO 88 17.358 -22.751 5.425 588 HB3 PRO 88 HB3 PRO 88 18.611 -21.980 6.405 589 HG2 PRO 88 HG2 PRO 88 17.259 -20.979 3.928 590 HG3 PRO 88 HG3 PRO 88 17.655 -20.103 5.418 591 HD2 PRO 88 HD2 PRO 88 19.159 -19.915 3.175 592 HD3 PRO 88 HD3 PRO 88 19.856 -19.798 4.803 593 HA PRO 89 HA PRO 89 18.245 -26.227 2.356 594 HB2 PRO 89 HB2 PRO 89 16.632 -27.741 3.930 595 HB3 PRO 89 HB3 PRO 89 18.396 -27.829 3.996 596 HG2 PRO 89 HG2 PRO 89 16.505 -26.358 5.790 597 HG3 PRO 89 HG3 PRO 89 17.932 -27.320 6.217 598 HD2 PRO 89 HD2 PRO 89 17.975 -24.614 6.114 599 HD3 PRO 89 HD3 PRO 89 19.391 -25.607 5.713 600 H ALA 90 H ALA 90 15.919 -27.389 1.988 601 HA ALA 90 HA ALA 90 14.150 -25.192 1.305 602 HB1 ALA 90 HB1 ALA 90 14.690 -26.977 -0.328 603 HB2 ALA 90 HB2 ALA 90 13.833 -28.128 0.698 604 HB3 ALA 90 HB3 ALA 90 12.960 -26.788 -0.045 605 H ASP 91 H ASP 91 14.006 -28.194 3.197 606 HA ASP 91 HA ASP 91 11.338 -27.939 4.040 607 HB2 ASP 91 HB2 ASP 91 13.620 -29.280 5.506 608 HB3 ASP 91 HB3 ASP 91 11.902 -29.574 5.760 609 H GLY 92 H GLY 92 10.406 -26.558 5.395 610 HA2 GLY 92 HA2 GLY 92 12.146 -25.046 7.241 611 HA3 GLY 92 HA3 GLY 92 10.669 -24.413 6.528 612 H GLY 93 H GLY 93 8.626 -25.372 7.211 613 HA2 GLY 93 HA2 GLY 93 8.798 -26.637 9.872 614 HA3 GLY 93 HA3 GLY 93 7.736 -25.266 9.588 615 H SER 94 H SER 94 5.976 -26.595 10.279 616 HA SER 94 HA SER 94 4.563 -27.788 8.147 617 HB2 SER 94 HB2 SER 94 6.214 -29.571 9.812 618 HB3 SER 94 HB3 SER 94 4.532 -30.075 9.645 619 HG SER 94 HG SER 94 4.787 -30.277 7.498 620 HA PRO 95 HA PRO 95 3.113 -26.627 7.681 621 HB2 PRO 95 HB2 PRO 95 1.913 -24.226 8.088 622 HB3 PRO 95 HB3 PRO 95 1.007 -25.727 7.870 623 HG2 PRO 95 HG2 PRO 95 1.707 -24.287 10.399 624 HG3 PRO 95 HG3 PRO 95 0.174 -25.046 9.931 625 HD2 PRO 95 HD2 PRO 95 1.947 -26.244 11.591 626 HD3 PRO 95 HD3 PRO 95 0.910 -27.161 10.480 627 HA PRO 96 HA PRO 96 6.675 -24.053 7.870 628 HB2 PRO 96 HB2 PRO 96 6.391 -22.565 5.617 629 HB3 PRO 96 HB3 PRO 96 6.822 -24.279 5.588 630 HG2 PRO 96 HG2 PRO 96 4.156 -22.989 5.157 631 HG3 PRO 96 HG3 PRO 96 4.913 -24.318 4.261 632 HD2 PRO 96 HD2 PRO 96 3.017 -24.728 6.150 633 HD3 PRO 96 HD3 PRO 96 4.327 -25.886 5.845 634 H VAL 97 H VAL 97 6.427 -22.725 9.647 635 HA VAL 97 HA VAL 97 5.075 -20.148 9.174 636 HB VAL 97 HB VAL 97 4.887 -19.974 11.655 637 HG11 VAL 97 HG11 VAL 97 3.469 -22.483 11.115 638 HG12 VAL 97 HG12 VAL 97 2.842 -20.897 11.567 639 HG13 VAL 97 HG13 VAL 97 3.252 -21.237 9.886 640 HG21 VAL 97 HG21 VAL 97 6.629 -21.443 12.372 641 HG22 VAL 97 HG22 VAL 97 5.099 -22.111 12.941 642 HG23 VAL 97 HG23 VAL 97 5.897 -22.811 11.533 643 H ASP 98 H ASP 98 7.953 -21.752 10.359 644 HA ASP 98 HA ASP 98 9.224 -19.290 11.178 645 HB2 ASP 98 HB2 ASP 98 9.956 -22.181 11.176 646 HB3 ASP 98 HB3 ASP 98 11.262 -20.999 11.217 647 H GLY 99 H GLY 99 9.988 -21.766 8.717 648 HA2 GLY 99 HA2 GLY 99 10.516 -21.286 6.458 649 HA3 GLY 99 HA3 GLY 99 10.847 -19.622 6.916 650 H GLY 100 H GLY 100 12.897 -19.283 6.295 651 HA2 GLY 100 HA2 GLY 100 14.908 -21.331 6.931 652 HA3 GLY 100 HA3 GLY 100 15.105 -20.035 5.761 653 H SER 101 H SER 101 16.089 -18.200 6.376 654 HA SER 101 HA SER 101 17.224 -16.704 7.661 655 HB2 SER 101 HB2 SER 101 15.947 -17.412 10.216 656 HB3 SER 101 HB3 SER 101 16.055 -15.851 9.402 657 HG SER 101 HG SER 101 13.981 -17.500 9.516 658 HA PRO 102 HA PRO 102 20.537 -18.804 9.623 659 HB2 PRO 102 HB2 PRO 102 21.451 -16.946 11.379 660 HB3 PRO 102 HB3 PRO 102 21.673 -16.807 9.631 661 HG2 PRO 102 HG2 PRO 102 19.633 -15.503 11.391 662 HG3 PRO 102 HG3 PRO 102 20.574 -14.803 10.061 663 HD2 PRO 102 HD2 PRO 102 18.000 -15.589 9.768 664 HD3 PRO 102 HD3 PRO 102 19.183 -15.681 8.447 665 HA PRO 103 HA PRO 103 22.380 -18.715 11.354 666 HB2 PRO 103 HB2 PRO 103 23.327 -21.065 12.329 667 HB3 PRO 103 HB3 PRO 103 23.190 -19.603 13.312 668 HG2 PRO 103 HG2 PRO 103 21.352 -21.961 13.157 669 HG3 PRO 103 HG3 PRO 103 21.909 -21.069 14.585 670 HD2 PRO 103 HD2 PRO 103 19.470 -20.670 13.479 671 HD3 PRO 103 HD3 PRO 103 20.381 -19.371 14.277 672 HA PRO 104 HA PRO 104 22.291 -21.195 7.724 673 HB2 PRO 104 HB2 PRO 104 24.905 -21.838 7.371 674 HB3 PRO 104 HB3 PRO 104 24.272 -20.209 7.106 675 HG2 PRO 104 HG2 PRO 104 25.717 -21.315 9.483 676 HG3 PRO 104 HG3 PRO 104 25.925 -19.750 8.675 677 HD2 PRO 104 HD2 PRO 104 24.511 -20.030 10.967 678 HD3 PRO 104 HD3 PRO 104 24.103 -18.819 9.735 679 HA PRO 105 HA PRO 105 22.185 -25.514 8.543 680 HB2 PRO 105 HB2 PRO 105 22.999 -26.593 6.189 681 HB3 PRO 105 HB3 PRO 105 21.426 -25.816 6.396 682 HG2 PRO 105 HG2 PRO 105 23.942 -24.711 5.210 683 HG3 PRO 105 HG3 PRO 105 22.272 -24.555 4.636 684 HD2 PRO 105 HD2 PRO 105 23.531 -22.589 6.007 685 HD3 PRO 105 HD3 PRO 105 21.783 -22.870 6.131 686 H SER 106 H SER 106 25.112 -23.944 8.003 687 HA SER 106 HA SER 106 27.221 -24.409 8.754 688 HB2 SER 106 HB2 SER 106 25.891 -25.834 10.480 689 HB3 SER 106 HB3 SER 106 26.409 -27.205 9.499 690 HG SER 106 HG SER 106 27.775 -26.136 11.384 691 H THR 107 H THR 107 27.663 -24.308 6.450 692 HA THR 107 HA THR 107 28.417 -25.111 4.440 693 HB THR 107 HB THR 107 30.340 -25.489 6.027 694 HG1 THR 107 HG1 THR 107 30.889 -25.768 3.934 695 HG21 THR 107 HG21 THR 107 29.124 -28.239 6.066 696 HG22 THR 107 HG22 THR 107 29.625 -27.235 7.428 697 HG23 THR 107 HG23 THR 107 30.838 -27.977 6.385 698 H HIS 108 H HIS 108 29.159 -27.642 3.581 699 HA HIS 108 HA HIS 108 27.182 -29.613 4.099 700 HB2 HIS 108 HB2 HIS 108 25.921 -27.827 2.762 701 HB3 HIS 108 HB3 HIS 108 26.911 -28.318 1.391 702 HD1 HIS 108 HD1 HIS 108 24.266 -29.656 3.724 703 HD2 HIS 108 HD2 HIS 108 26.100 -30.622 0.123 704 HE1 HIS 108 HE1 HIS 108 22.939 -31.576 2.788 Start of MODEL 6 1 H1 ALA 1 H ALA 1 3.846 1.773 -4.860 2 HA ALA 1 HA ALA 1 5.044 3.331 -3.601 3 HB1 ALA 1 HB1 ALA 1 3.469 4.862 -2.553 4 HB2 ALA 1 HB2 ALA 1 2.839 4.276 -4.093 5 HB3 ALA 1 HB3 ALA 1 2.221 3.617 -2.579 6 H GLY 2 H GLY 2 5.473 0.870 -2.379 7 HA2 GLY 2 HA2 GLY 2 4.789 0.873 0.382 8 HA3 GLY 2 HA3 GLY 2 6.033 -0.111 -0.375 9 H SER 3 H SER 3 7.116 0.348 1.719 10 HA SER 3 HA SER 3 9.186 2.204 1.393 11 HB2 SER 3 HB2 SER 3 6.773 3.288 2.587 12 HB3 SER 3 HB3 SER 3 8.141 3.400 3.694 13 HG SER 3 HG SER 3 8.010 5.219 2.318 14 H LYS 4 H LYS 4 10.591 0.709 2.120 15 HA LYS 4 HA LYS 4 10.794 0.273 4.937 16 HB2 LYS 4 HB2 LYS 4 9.249 -1.593 3.511 17 HB3 LYS 4 HB3 LYS 4 10.798 -2.376 3.791 18 HG2 LYS 4 HG2 LYS 4 10.041 -1.123 6.208 19 HG3 LYS 4 HG3 LYS 4 8.636 -1.997 5.596 20 HD2 LYS 4 HD2 LYS 4 11.397 -3.146 6.005 21 HD3 LYS 4 HD3 LYS 4 10.000 -3.413 7.050 22 HE2 LYS 4 HE2 LYS 4 9.193 -4.034 4.419 23 HE3 LYS 4 HE3 LYS 4 10.764 -4.795 4.664 24 HZ1 LYS 4 HZ1 LYS 4 8.887 -5.092 6.851 25 HZ2 LYS 4 HZ2 LYS 4 9.931 -6.228 6.158 26 HZ3 LYS 4 HZ3 LYS 4 8.448 -5.881 5.421 27 H LEU 5 H LEU 5 12.489 -1.859 5.041 28 HA LEU 5 HA LEU 5 14.631 -1.235 3.127 29 HB2 LEU 5 HB2 LEU 5 14.594 -0.723 5.955 30 HB3 LEU 5 HB3 LEU 5 15.865 -1.880 5.564 31 HG LEU 5 HG LEU 5 15.789 0.490 3.829 32 HD11 LEU 5 HD11 LEU 5 16.683 2.023 5.427 33 HD12 LEU 5 HD12 LEU 5 16.656 0.800 6.697 34 HD13 LEU 5 HD13 LEU 5 15.142 1.429 6.047 35 HD21 LEU 5 HD21 LEU 5 17.547 -1.510 4.336 36 HD22 LEU 5 HD22 LEU 5 18.187 -0.230 5.366 37 HD23 LEU 5 HD23 LEU 5 17.984 0.049 3.636 38 H CYS 6 H CYS 6 16.071 -2.922 2.673 39 HA CYS 6 HA CYS 6 15.219 -5.572 3.643 40 HB2 CYS 6 HB2 CYS 6 16.113 -4.718 0.891 41 HB3 CYS 6 HB3 CYS 6 16.067 -6.405 1.392 42 H GLU 7 H GLU 7 16.792 -7.057 4.165 43 HA GLU 7 HA GLU 7 19.587 -6.164 3.971 44 HB2 GLU 7 HB2 GLU 7 20.053 -6.729 6.213 45 HB3 GLU 7 HB3 GLU 7 18.557 -5.808 6.272 46 HG2 GLU 7 HG2 GLU 7 18.772 -8.809 6.374 47 HG3 GLU 7 HG3 GLU 7 18.503 -7.746 7.754 48 H LYS 8 H LYS 8 21.052 -7.711 3.456 49 HA LYS 8 HA LYS 8 20.004 -10.434 3.051 50 HB2 LYS 8 HB2 LYS 8 20.566 -9.461 0.939 51 HB3 LYS 8 HB3 LYS 8 22.110 -8.880 1.548 52 HG2 LYS 8 HG2 LYS 8 21.988 -11.708 1.891 53 HG3 LYS 8 HG3 LYS 8 21.553 -11.305 0.228 54 HD2 LYS 8 HD2 LYS 8 23.637 -9.752 0.340 55 HD3 LYS 8 HD3 LYS 8 24.101 -10.770 1.706 56 HE2 LYS 8 HE2 LYS 8 24.268 -12.680 0.378 57 HE3 LYS 8 HE3 LYS 8 23.295 -11.979 -0.915 58 HZ1 LYS 8 HZ1 LYS 8 25.691 -12.100 -1.431 59 HZ2 LYS 8 HZ2 LYS 8 26.004 -11.027 -0.161 60 HZ3 LYS 8 HZ3 LYS 8 25.084 -10.522 -1.488 61 H THR 9 H THR 9 20.999 -12.111 4.004 62 HA THR 9 HA THR 9 23.415 -11.527 5.583 63 HB THR 9 HB THR 9 21.715 -13.941 6.084 64 HG1 THR 9 HG1 THR 9 20.264 -12.161 6.061 65 HG21 THR 9 HG21 THR 9 23.574 -12.197 7.670 66 HG22 THR 9 HG22 THR 9 23.650 -13.938 7.396 67 HG23 THR 9 HG23 THR 9 22.423 -13.267 8.470 68 H SER 10 H SER 10 24.304 -11.910 3.240 69 HA SER 10 HA SER 10 25.528 -13.194 1.811 70 HB2 SER 10 HB2 SER 10 26.939 -13.543 3.735 71 HB3 SER 10 HB3 SER 10 25.862 -14.793 4.358 72 HG SER 10 HG SER 10 27.501 -15.853 3.345 73 H LYS 11 H LYS 11 22.769 -13.637 1.689 74 HA LYS 11 HA LYS 11 22.044 -16.362 1.770 75 HB2 LYS 11 HB2 LYS 11 20.826 -14.370 -0.125 76 HB3 LYS 11 HB3 LYS 11 20.053 -15.726 0.686 77 HG2 LYS 11 HG2 LYS 11 20.930 -14.167 2.776 78 HG3 LYS 11 HG3 LYS 11 20.420 -12.983 1.570 79 HD2 LYS 11 HD2 LYS 11 18.588 -15.253 1.945 80 HD3 LYS 11 HD3 LYS 11 18.754 -14.187 3.343 81 HE2 LYS 11 HE2 LYS 11 17.509 -12.622 2.372 82 HE3 LYS 11 HE3 LYS 11 18.514 -12.648 0.924 83 HZ1 LYS 11 HZ1 LYS 11 15.940 -13.417 1.016 84 HZ2 LYS 11 HZ2 LYS 11 16.732 -14.903 1.177 85 HZ3 LYS 11 HZ3 LYS 11 17.047 -13.918 -0.161 86 H THR 12 H THR 12 23.776 -14.466 -0.552 87 HA THR 12 HA THR 12 23.973 -16.837 -2.285 88 HB THR 12 HB THR 12 23.831 -15.564 -4.271 89 HG1 THR 12 HG1 THR 12 23.545 -13.177 -4.026 90 HG21 THR 12 HG21 THR 12 21.762 -14.509 -2.338 91 HG22 THR 12 HG22 THR 12 21.651 -15.991 -3.289 92 HG23 THR 12 HG23 THR 12 21.648 -14.423 -4.096 93 H TYR 13 H TYR 13 25.590 -14.902 -0.261 94 HA TYR 13 HA TYR 13 28.008 -14.582 -1.850 95 HB2 TYR 13 HB2 TYR 13 27.143 -12.851 -0.182 96 HB3 TYR 13 HB3 TYR 13 27.687 -13.949 1.081 97 HD1 TYR 13 HD2 TYR 13 29.087 -12.575 -2.109 98 HD2 TYR 13 HD1 TYR 13 29.709 -13.390 2.020 99 HE1 TYR 13 HE2 TYR 13 31.350 -11.627 -2.269 100 HE2 TYR 13 HE1 TYR 13 31.974 -12.443 1.872 101 HH TYR 13 HH TYR 13 33.705 -12.158 -0.375 102 H SER 14 H SER 14 26.641 -17.104 -0.368 103 HA SER 14 HA SER 14 28.342 -18.255 1.412 104 HB2 SER 14 HB2 SER 14 26.405 -19.226 -0.524 105 HB3 SER 14 HB3 SER 14 27.722 -20.375 -0.294 106 HG SER 14 HG SER 14 26.311 -20.858 1.290 107 H GLY 15 H GLY 15 30.502 -18.187 1.329 108 HA2 GLY 15 HA2 GLY 15 32.300 -19.667 0.299 109 HA3 GLY 15 HA3 GLY 15 31.817 -18.911 -1.212 110 H LYS 16 H LYS 16 34.241 -18.908 0.822 111 HA LYS 16 HA LYS 16 35.802 -17.417 1.582 112 HB2 LYS 16 HB2 LYS 16 36.670 -15.982 -0.106 113 HB3 LYS 16 HB3 LYS 16 36.046 -17.405 -0.930 114 HG2 LYS 16 HG2 LYS 16 34.178 -16.248 -1.749 115 HG3 LYS 16 HG3 LYS 16 34.419 -14.903 -0.632 116 HD2 LYS 16 HD2 LYS 16 35.504 -13.870 -2.284 117 HD3 LYS 16 HD3 LYS 16 36.797 -15.050 -2.060 118 HE2 LYS 16 HE2 LYS 16 35.585 -16.544 -3.665 119 HE3 LYS 16 HE3 LYS 16 34.481 -15.206 -3.982 120 HZ1 LYS 16 HZ1 LYS 16 37.120 -15.654 -4.980 121 HZ2 LYS 16 HZ2 LYS 16 36.966 -14.120 -4.285 122 HZ3 LYS 16 HZ3 LYS 16 35.927 -14.590 -5.534 123 H CYS 17 H CYS 17 36.103 -14.671 1.240 124 HA CYS 17 HA CYS 17 33.825 -13.139 1.813 125 HB2 CYS 17 HB2 CYS 17 34.400 -14.734 3.954 126 HB3 CYS 17 HB3 CYS 17 35.312 -13.281 4.351 127 H ASP 18 H ASP 18 34.297 -10.960 1.967 128 HA ASP 18 HA ASP 18 36.938 -9.999 2.511 129 HB2 ASP 18 HB2 ASP 18 36.563 -10.870 -0.081 130 HB3 ASP 18 HB3 ASP 18 36.241 -9.142 -0.198 131 H ASN 19 H ASN 19 36.875 -7.552 1.297 132 HA ASN 19 HA ASN 19 34.647 -6.290 2.699 133 HB2 ASN 19 HB2 ASN 19 37.114 -5.060 1.449 134 HB3 ASN 19 HB3 ASN 19 35.924 -4.207 2.428 135 HD21 ASN 19 HD22 ASN 19 35.472 -5.822 4.499 136 HD22 ASN 19 HD21 ASN 19 36.918 -6.093 5.405 137 H LYS 20 H LYS 20 36.344 -5.475 -0.326 138 HA LYS 20 HA LYS 20 34.111 -4.175 -1.463 139 HB2 LYS 20 HB2 LYS 20 36.688 -4.094 -2.042 140 HB3 LYS 20 HB3 LYS 20 36.247 -5.351 -3.191 141 HG2 LYS 20 HG2 LYS 20 34.431 -3.095 -3.298 142 HG3 LYS 20 HG3 LYS 20 36.106 -2.625 -3.596 143 HD2 LYS 20 HD2 LYS 20 35.347 -5.076 -4.978 144 HD3 LYS 20 HD3 LYS 20 34.367 -3.686 -5.451 145 HE2 LYS 20 HE2 LYS 20 36.150 -3.575 -6.927 146 HE3 LYS 20 HE3 LYS 20 36.637 -2.460 -5.651 147 HZ1 LYS 20 HZ1 LYS 20 37.478 -5.165 -5.179 148 HZ2 LYS 20 HZ2 LYS 20 38.372 -3.730 -5.119 149 HZ3 LYS 20 HZ3 LYS 20 38.128 -4.512 -6.599 150 H LYS 21 H LYS 21 35.279 -7.476 -1.607 151 HA LYS 21 HA LYS 21 33.691 -8.357 -3.767 152 HB2 LYS 21 HB2 LYS 21 34.869 -9.862 -1.427 153 HB3 LYS 21 HB3 LYS 21 34.085 -10.639 -2.796 154 HG2 LYS 21 HG2 LYS 21 36.571 -8.943 -2.883 155 HG3 LYS 21 HG3 LYS 21 36.480 -10.697 -3.067 156 HD2 LYS 21 HD2 LYS 21 36.475 -10.183 -5.268 157 HD3 LYS 21 HD3 LYS 21 34.750 -9.936 -4.984 158 HE2 LYS 21 HE2 LYS 21 34.966 -7.822 -5.626 159 HE3 LYS 21 HE3 LYS 21 36.066 -7.538 -4.279 160 HZ1 LYS 21 HZ1 LYS 21 37.729 -7.320 -5.702 161 HZ2 LYS 21 HZ2 LYS 21 36.658 -7.517 -6.996 162 HZ3 LYS 21 HZ3 LYS 21 37.449 -8.861 -6.341 163 H CYS 22 H CYS 22 33.141 -8.315 -0.269 164 HA CYS 22 HA CYS 22 30.673 -9.677 -0.303 165 HB2 CYS 22 HB2 CYS 22 31.966 -9.400 1.750 166 HB3 CYS 22 HB3 CYS 22 31.743 -7.655 1.677 167 H ASP 23 H ASP 23 31.472 -6.225 -0.405 168 HA ASP 23 HA ASP 23 28.774 -5.332 -0.427 169 HB2 ASP 23 HB2 ASP 23 30.835 -3.973 0.198 170 HB3 ASP 23 HB3 ASP 23 31.142 -3.821 -1.530 171 H LYS 24 H LYS 24 31.217 -5.600 -3.008 172 HA LYS 24 HA LYS 24 29.622 -4.794 -5.136 173 HB2 LYS 24 HB2 LYS 24 31.987 -5.026 -5.441 174 HB3 LYS 24 HB3 LYS 24 31.930 -6.736 -5.033 175 HG2 LYS 24 HG2 LYS 24 30.659 -7.183 -7.069 176 HG3 LYS 24 HG3 LYS 24 30.709 -5.467 -7.477 177 HD2 LYS 24 HD2 LYS 24 32.865 -5.559 -8.154 178 HD3 LYS 24 HD3 LYS 24 33.314 -6.731 -6.913 179 HE2 LYS 24 HE2 LYS 24 32.103 -8.472 -8.233 180 HE3 LYS 24 HE3 LYS 24 31.878 -7.275 -9.508 181 HZ1 LYS 24 HZ1 LYS 24 33.787 -8.224 -10.230 182 HZ2 LYS 24 HZ2 LYS 24 34.299 -8.681 -8.684 183 HZ3 LYS 24 HZ3 LYS 24 34.481 -7.079 -9.195 184 H LYS 25 H LYS 25 30.194 -8.085 -3.910 185 HA LYS 25 HA LYS 25 28.539 -9.415 -5.746 186 HB2 LYS 25 HB2 LYS 25 30.259 -10.388 -4.098 187 HB3 LYS 25 HB3 LYS 25 28.963 -10.334 -2.911 188 HG2 LYS 25 HG2 LYS 25 27.956 -12.136 -3.758 189 HG3 LYS 25 HG3 LYS 25 28.191 -11.602 -5.424 190 HD2 LYS 25 HD2 LYS 25 30.104 -12.775 -5.665 191 HD3 LYS 25 HD3 LYS 25 30.632 -12.451 -4.012 192 HE2 LYS 25 HE2 LYS 25 29.863 -14.417 -3.301 193 HE3 LYS 25 HE3 LYS 25 28.293 -14.147 -4.057 194 HZ1 LYS 25 HZ1 LYS 25 28.991 -15.936 -5.240 195 HZ2 LYS 25 HZ2 LYS 25 30.633 -15.562 -5.088 196 HZ3 LYS 25 HZ3 LYS 25 29.675 -14.725 -6.203 197 H CYS 26 H CYS 26 27.797 -7.490 -2.995 198 HA CYS 26 HA CYS 26 25.165 -8.586 -2.573 199 HB2 CYS 26 HB2 CYS 26 26.795 -6.396 -1.390 200 HB3 CYS 26 HB3 CYS 26 25.045 -6.270 -1.241 201 H ILE 27 H ILE 27 26.489 -5.588 -3.947 202 HA ILE 27 HA ILE 27 23.900 -4.653 -4.780 203 HB ILE 27 HB ILE 27 26.580 -3.616 -5.696 204 HG12 ILE 27 HG12 ILE 27 25.414 -2.011 -3.634 205 HG13 ILE 27 HG13 ILE 27 25.529 -3.669 -3.055 206 HG21 ILE 27 HG21 ILE 27 25.003 -2.596 -7.029 207 HG22 ILE 27 HG22 ILE 27 23.773 -2.605 -5.766 208 HG23 ILE 27 HG23 ILE 27 25.112 -1.460 -5.685 209 HD11 ILE 27 HD11 ILE 27 27.607 -1.693 -3.478 210 HD12 ILE 27 HD12 ILE 27 27.620 -3.167 -2.509 211 HD13 ILE 27 HD13 ILE 27 27.975 -3.243 -4.235 212 H GLU 28 H GLU 28 26.241 -6.771 -6.054 213 HA GLU 28 HA GLU 28 25.545 -6.346 -8.829 214 HB2 GLU 28 HB2 GLU 28 27.382 -8.211 -7.367 215 HB3 GLU 28 HB3 GLU 28 26.949 -8.538 -9.039 216 HG2 GLU 28 HG2 GLU 28 27.767 -5.789 -8.652 217 HG3 GLU 28 HG3 GLU 28 29.011 -6.932 -8.147 218 H TRP 29 H TRP 29 24.954 -8.786 -6.334 219 HA TRP 29 HA TRP 29 23.053 -10.122 -8.131 220 HB2 TRP 29 HB2 TRP 29 24.573 -11.016 -5.702 221 HB3 TRP 29 HB3 TRP 29 23.111 -11.867 -6.193 222 HD1 TRP 29 HD1 TRP 29 25.786 -10.501 -8.619 223 HE1 TRP 29 HE1 TRP 29 26.764 -12.486 -9.933 224 HE3 TRP 29 HE3 TRP 29 23.401 -14.325 -6.207 225 HZ2 TRP 29 HZ2 TRP 29 26.552 -15.301 -9.946 226 HZ3 TRP 29 HZ3 TRP 29 23.843 -16.635 -6.932 227 HH2 TRP 29 HH2 TRP 29 25.386 -17.110 -8.763 228 H GLU 30 H GLU 30 23.330 -9.026 -4.751 229 HA GLU 30 HA GLU 30 20.458 -9.190 -4.401 230 HB2 GLU 30 HB2 GLU 30 22.756 -8.473 -2.601 231 HB3 GLU 30 HB3 GLU 30 21.096 -8.164 -2.113 232 HG2 GLU 30 HG2 GLU 30 22.247 -10.357 -1.389 233 HG3 GLU 30 HG3 GLU 30 20.579 -10.402 -1.958 234 H LYS 31 H LYS 31 22.436 -7.026 -5.848 235 HA LYS 31 HA LYS 31 22.402 -4.768 -6.248 236 HB2 LYS 31 HB2 LYS 31 19.411 -5.066 -6.066 237 HB3 LYS 31 HB3 LYS 31 20.337 -4.004 -7.119 238 HG2 LYS 31 HG2 LYS 31 20.079 -6.995 -7.311 239 HG3 LYS 31 HG3 LYS 31 19.459 -5.784 -8.436 240 HD2 LYS 31 HD2 LYS 31 22.372 -6.319 -7.851 241 HD3 LYS 31 HD3 LYS 31 21.495 -6.853 -9.286 242 HE2 LYS 31 HE2 LYS 31 22.106 -4.025 -8.448 243 HE3 LYS 31 HE3 LYS 31 22.721 -4.883 -9.860 244 HZ1 LYS 31 HZ1 LYS 31 20.141 -5.067 -10.337 245 HZ2 LYS 31 HZ2 LYS 31 21.054 -3.734 -10.837 246 HZ3 LYS 31 HZ3 LYS 31 20.118 -3.639 -9.431 247 H ALA 32 H ALA 32 22.680 -5.352 -3.489 248 HA ALA 32 HA ALA 32 20.909 -3.702 -1.957 249 HB1 ALA 32 HB1 ALA 32 21.914 -4.587 -0.151 250 HB2 ALA 32 HB2 ALA 32 22.575 -5.733 -1.318 251 HB3 ALA 32 HB3 ALA 32 23.535 -4.347 -0.803 252 H GLN 33 H GLN 33 22.526 -2.276 -0.279 253 HA GLN 33 HA GLN 33 23.655 -0.242 -2.083 254 HB2 GLN 33 HB2 GLN 33 21.719 -0.045 -0.018 255 HB3 GLN 33 HB3 GLN 33 23.159 0.800 0.535 256 HG2 GLN 33 HG2 GLN 33 22.651 1.506 -2.181 257 HG3 GLN 33 HG3 GLN 33 21.174 1.708 -1.240 258 HE21 GLN 33 HE22 GLN 33 20.945 3.534 -0.162 259 HE22 GLN 33 HE21 GLN 33 22.209 4.644 0.231 260 H HIS 34 H HIS 34 24.078 -1.813 1.067 261 HA HIS 34 HA HIS 34 26.963 -1.446 0.808 262 HB2 HIS 34 HB2 HIS 34 25.486 0.235 2.440 263 HB3 HIS 34 HB3 HIS 34 26.081 -0.993 3.554 264 HD1 HIS 34 HD1 HIS 34 28.845 -1.449 3.089 265 HD2 HIS 34 HD2 HIS 34 27.224 2.278 2.225 266 HE1 HIS 34 HE1 HIS 34 30.794 0.140 3.053 267 H GLY 35 H GLY 35 28.187 -3.039 1.788 268 HA2 GLY 35 HA2 GLY 35 26.743 -5.100 3.311 269 HA3 GLY 35 HA3 GLY 35 27.651 -5.572 1.882 270 H ALA 36 H ALA 36 28.089 -6.519 4.539 271 HA ALA 36 HA ALA 36 30.905 -5.813 4.781 272 HB1 ALA 36 HB1 ALA 36 30.263 -5.881 7.420 273 HB2 ALA 36 HB2 ALA 36 30.466 -4.407 6.473 274 HB3 ALA 36 HB3 ALA 36 28.853 -5.068 6.739 275 H CYS 37 H CYS 37 32.094 -7.321 6.180 276 HA CYS 37 HA CYS 37 30.763 -9.946 6.341 277 HB2 CYS 37 HB2 CYS 37 32.427 -9.869 4.524 278 HB3 CYS 37 HB3 CYS 37 33.663 -9.389 5.682 279 H HIS 38 H HIS 38 31.276 -11.277 8.091 280 HA HIS 38 HA HIS 38 33.077 -10.285 10.143 281 HB2 HIS 38 HB2 HIS 38 30.932 -9.183 10.662 282 HB3 HIS 38 HB3 HIS 38 30.144 -10.758 10.717 283 HD1 HIS 38 HD1 HIS 38 33.223 -9.276 12.415 284 HD2 HIS 38 HD2 HIS 38 29.825 -11.504 13.283 285 HE1 HIS 38 HE1 HIS 38 33.340 -9.748 14.883 286 H LYS 39 H LYS 39 33.897 -11.881 11.439 287 HA LYS 39 HA LYS 39 33.233 -14.617 10.646 288 HB2 LYS 39 HB2 LYS 39 35.604 -13.828 10.584 289 HB3 LYS 39 HB3 LYS 39 35.544 -13.639 12.332 290 HG2 LYS 39 HG2 LYS 39 34.773 -16.281 11.259 291 HG3 LYS 39 HG3 LYS 39 36.475 -15.830 11.131 292 HD2 LYS 39 HD2 LYS 39 34.998 -15.512 13.719 293 HD3 LYS 39 HD3 LYS 39 35.662 -17.078 13.248 294 HE2 LYS 39 HE2 LYS 39 37.830 -16.369 13.440 295 HE3 LYS 39 HE3 LYS 39 37.428 -14.692 13.076 296 HZ1 LYS 39 HZ1 LYS 39 36.154 -15.358 15.460 297 HZ2 LYS 39 HZ2 LYS 39 37.440 -14.283 15.236 298 HZ3 LYS 39 HZ3 LYS 39 37.748 -15.908 15.589 299 H ARG 40 H ARG 40 32.227 -16.015 11.952 300 HA ARG 40 HA ARG 40 32.261 -15.693 14.824 301 HB2 ARG 40 HB2 ARG 40 30.286 -14.338 13.575 302 HB3 ARG 40 HB3 ARG 40 29.508 -15.904 13.760 303 HG2 ARG 40 HG2 ARG 40 28.928 -15.236 15.794 304 HG3 ARG 40 HG3 ARG 40 30.624 -15.432 16.241 305 HD2 ARG 40 HD2 ARG 40 31.080 -13.130 15.798 306 HD3 ARG 40 HD3 ARG 40 29.486 -12.897 15.082 307 HE ARG 40 HE ARG 40 28.654 -12.573 17.179 308 HH11 ARG 40 HH12 ARG 40 31.689 -14.259 17.435 309 HH12 ARG 40 HH11 ARG 40 31.730 -14.192 19.166 310 HH21 ARG 40 HH22 ARG 40 28.696 -12.478 19.458 311 HH22 ARG 40 HH21 ARG 40 30.027 -13.180 20.315 312 H GLU 41 H GLU 41 30.560 -17.418 15.745 313 HA GLU 41 HA GLU 41 30.076 -19.623 16.024 314 HB2 GLU 41 HB2 GLU 41 29.507 -19.056 13.306 315 HB3 GLU 41 HB3 GLU 41 30.305 -20.621 13.349 316 HG2 GLU 41 HG2 GLU 41 27.762 -19.793 14.704 317 HG3 GLU 41 HG3 GLU 41 28.005 -21.062 13.504 318 H ALA 42 H ALA 42 30.949 -21.926 14.811 319 HA ALA 42 HA ALA 42 33.371 -22.453 15.957 320 HB1 ALA 42 HB1 ALA 42 31.844 -23.705 13.744 321 HB2 ALA 42 HB2 ALA 42 33.516 -24.215 13.977 322 HB3 ALA 42 HB3 ALA 42 32.354 -24.377 15.294 323 H GLY 43 H GLY 43 32.766 -21.063 12.782 324 HA2 GLY 43 HA2 GLY 43 35.090 -19.634 12.555 325 HA3 GLY 43 HA3 GLY 43 35.499 -21.222 11.923 326 H LYS 44 H LYS 44 32.369 -19.633 11.628 327 HA LYS 44 HA LYS 44 32.761 -19.596 8.710 328 HB2 LYS 44 HB2 LYS 44 30.332 -19.760 8.510 329 HB3 LYS 44 HB3 LYS 44 30.969 -21.090 9.468 330 HG2 LYS 44 HG2 LYS 44 30.401 -19.528 11.482 331 HG3 LYS 44 HG3 LYS 44 29.317 -18.762 10.319 332 HD2 LYS 44 HD2 LYS 44 28.077 -20.433 11.504 333 HD3 LYS 44 HD3 LYS 44 28.340 -21.012 9.858 334 HE2 LYS 44 HE2 LYS 44 30.494 -21.811 11.610 335 HE3 LYS 44 HE3 LYS 44 28.934 -22.348 12.232 336 HZ1 LYS 44 HZ1 LYS 44 30.426 -23.348 10.033 337 HZ2 LYS 44 HZ2 LYS 44 28.878 -22.885 9.534 338 HZ3 LYS 44 HZ3 LYS 44 29.062 -24.007 10.787 339 H GLU 45 H GLU 45 32.611 -17.723 7.625 340 HA GLU 45 HA GLU 45 32.081 -15.302 9.180 341 HB2 GLU 45 HB2 GLU 45 33.790 -15.982 6.905 342 HB3 GLU 45 HB3 GLU 45 32.910 -14.476 6.683 343 HG2 GLU 45 HG2 GLU 45 33.858 -13.536 8.647 344 HG3 GLU 45 HG3 GLU 45 34.547 -15.085 9.128 345 H SER 46 H SER 46 30.296 -14.129 8.919 346 HA SER 46 HA SER 46 28.507 -14.819 6.687 347 HB2 SER 46 HB2 SER 46 27.722 -15.141 9.092 348 HB3 SER 46 HB3 SER 46 27.711 -13.382 9.220 349 HG SER 46 HG SER 46 25.785 -14.860 8.324 350 H CYS 47 H CYS 47 27.433 -13.169 5.544 351 HA CYS 47 HA CYS 47 28.714 -10.523 5.757 352 HB2 CYS 47 HB2 CYS 47 28.464 -12.310 3.520 353 HB3 CYS 47 HB3 CYS 47 27.597 -10.817 3.177 354 H PHE 48 H PHE 48 27.426 -8.844 6.141 355 HA PHE 48 HA PHE 48 24.528 -9.193 5.732 356 HB2 PHE 48 HB2 PHE 48 24.377 -7.428 7.617 357 HB3 PHE 48 HB3 PHE 48 24.767 -9.087 8.057 358 HD1 PHE 48 HD2 PHE 48 27.042 -9.693 8.726 359 HD2 PHE 48 HD1 PHE 48 25.964 -5.663 7.881 360 HE1 PHE 48 HE2 PHE 48 29.084 -8.913 9.855 361 HE2 PHE 48 HE1 PHE 48 28.004 -4.877 9.008 362 HZ PHE 48 HZ PHE 48 29.567 -6.503 9.998 363 H CYS 49 H CYS 49 23.539 -7.768 4.453 364 HA CYS 49 HA CYS 49 24.911 -5.233 3.851 365 HB2 CYS 49 HB2 CYS 49 23.266 -6.613 1.764 366 HB3 CYS 49 HB3 CYS 49 24.576 -5.454 1.563 367 H TYR 50 H TYR 50 23.593 -3.444 3.436 368 HA TYR 50 HA TYR 50 20.744 -3.808 4.099 369 HB2 TYR 50 HB2 TYR 50 22.438 -1.420 4.851 370 HB3 TYR 50 HB3 TYR 50 20.770 -1.725 5.322 371 HD1 TYR 50 HD1 TYR 50 20.321 -3.805 6.769 372 HD2 TYR 50 HD2 TYR 50 24.193 -2.131 6.215 373 HE1 TYR 50 HE1 TYR 50 21.100 -4.948 8.803 374 HE2 TYR 50 HE2 TYR 50 24.983 -3.270 8.247 375 HH TYR 50 HH TYR 50 22.819 -4.838 10.433 376 H PHE 51 H PHE 51 19.283 -2.810 2.822 377 HA PHE 51 HA PHE 51 20.112 -0.709 0.995 378 HB2 PHE 51 HB2 PHE 51 20.612 -2.571 -0.394 379 HB3 PHE 51 HB3 PHE 51 19.139 -3.412 0.078 380 HD1 PHE 51 HD1 PHE 51 20.069 -0.110 -1.401 381 HD2 PHE 51 HD2 PHE 51 17.503 -3.504 -1.515 382 HE1 PHE 51 HE1 PHE 51 18.911 0.836 -3.355 383 HE2 PHE 51 HE2 PHE 51 16.341 -2.564 -3.470 384 HZ PHE 51 HZ PHE 51 17.045 -0.392 -4.393 385 H ASP 52 H ASP 52 18.412 0.551 0.230 386 HA ASP 52 HA ASP 52 16.058 0.529 1.858 387 HB2 ASP 52 HB2 ASP 52 15.395 2.464 0.324 388 HB3 ASP 52 HB3 ASP 52 16.859 2.675 1.281 389 H CYS 53 H CYS 53 14.135 -0.353 1.451 390 HA CYS 53 HA CYS 53 13.665 -1.449 -1.243 391 HB2 CYS 53 HB2 CYS 53 13.324 -2.565 1.437 392 HB3 CYS 53 HB3 CYS 53 11.885 -2.735 0.437 393 H SER 54 H SER 54 11.544 -1.347 -2.108 394 HA SER 54 HA SER 54 9.720 -0.121 -2.736 395 HB2 SER 54 HB2 SER 54 9.064 -0.052 0.208 396 HB3 SER 54 HB3 SER 54 7.947 -0.112 -1.155 397 HG SER 54 HG SER 54 9.131 -2.142 0.171 398 H LYS 55 H LYS 55 12.091 1.424 -2.181 399 HA LYS 55 HA LYS 55 12.732 3.604 -2.070 400 HB2 LYS 55 HB2 LYS 55 9.890 3.706 -2.760 401 HB3 LYS 55 HB3 LYS 55 10.451 5.152 -1.931 402 HG2 LYS 55 HG2 LYS 55 11.045 5.840 -3.969 403 HG3 LYS 55 HG3 LYS 55 12.432 4.769 -3.758 404 HD2 LYS 55 HD2 LYS 55 11.452 4.291 -5.886 405 HD3 LYS 55 HD3 LYS 55 11.080 2.945 -4.806 406 HE2 LYS 55 HE2 LYS 55 8.847 3.643 -4.541 407 HE3 LYS 55 HE3 LYS 55 9.180 5.237 -5.216 408 HZ1 LYS 55 HZ1 LYS 55 9.433 4.307 -7.370 409 HZ2 LYS 55 HZ2 LYS 55 7.992 3.689 -6.736 410 HZ3 LYS 55 HZ3 LYS 55 9.380 2.723 -6.778 411 H SER 56 H SER 56 13.583 3.329 0.024 412 HA SER 56 HA SER 56 11.871 4.114 2.266 413 HB2 SER 56 HB2 SER 56 12.995 2.391 3.193 414 HB3 SER 56 HB3 SER 56 14.252 2.434 1.957 415 HG SER 56 HG SER 56 14.319 3.387 4.466 416 HA PRO 57 HA PRO 57 13.576 8.134 2.695 417 HB2 PRO 57 HB2 PRO 57 13.648 8.418 5.394 418 HB3 PRO 57 HB3 PRO 57 12.144 8.433 4.466 419 HG2 PRO 57 HG2 PRO 57 13.389 6.198 6.020 420 HG3 PRO 57 HG3 PRO 57 11.689 6.699 5.948 421 HD2 PRO 57 HD2 PRO 57 12.649 4.594 4.541 422 HD3 PRO 57 HD3 PRO 57 11.325 5.616 3.946 423 HA PRO 58 HA PRO 58 17.916 8.102 3.402 424 HB2 PRO 58 HB2 PRO 58 18.368 10.550 4.486 425 HB3 PRO 58 HB3 PRO 58 17.946 10.315 2.785 426 HG2 PRO 58 HG2 PRO 58 16.195 11.114 5.078 427 HG3 PRO 58 HG3 PRO 58 16.244 11.763 3.429 428 HD2 PRO 58 HD2 PRO 58 14.371 9.983 4.237 429 HD3 PRO 58 HD3 PRO 58 14.989 10.030 2.573 430 H GLY 59 H GLY 59 17.511 6.404 5.119 431 HA2 GLY 59 HA2 GLY 59 18.961 6.037 7.115 432 HA3 GLY 59 HA3 GLY 59 18.216 7.483 7.780 433 H ALA 60 H ALA 60 18.190 4.202 7.899 434 HA ALA 60 HA ALA 60 15.981 4.036 9.611 435 HB1 ALA 60 HB1 ALA 60 15.422 3.479 6.738 436 HB2 ALA 60 HB2 ALA 60 14.626 2.500 7.971 437 HB3 ALA 60 HB3 ALA 60 14.407 4.250 7.958 438 H THR 61 H THR 61 15.207 1.545 9.649 439 HA THR 61 HA THR 61 17.676 -0.063 9.541 440 HB THR 61 HB THR 61 16.125 -1.343 11.405 441 HG1 THR 61 HG1 THR 61 15.972 1.357 12.188 442 HG21 THR 61 HG21 THR 61 17.646 0.105 13.034 443 HG22 THR 61 HG22 THR 61 18.418 0.546 11.511 444 HG23 THR 61 HG23 THR 61 18.324 -1.147 11.996 445 HA PRO 62 HA PRO 62 15.615 -3.081 7.111 446 HB2 PRO 62 HB2 PRO 62 16.643 -5.395 8.090 447 HB3 PRO 62 HB3 PRO 62 17.582 -4.269 7.103 448 HG2 PRO 62 HG2 PRO 62 17.544 -4.604 10.078 449 HG3 PRO 62 HG3 PRO 62 18.929 -4.371 8.996 450 HD2 PRO 62 HD2 PRO 62 17.867 -2.354 10.457 451 HD3 PRO 62 HD3 PRO 62 18.603 -2.093 8.863 452 H ALA 63 H ALA 63 14.381 -5.233 7.305 453 HA ALA 63 HA ALA 63 12.659 -5.110 9.694 454 HB1 ALA 63 HB1 ALA 63 11.127 -6.398 7.864 455 HB2 ALA 63 HB2 ALA 63 11.082 -4.659 8.159 456 HB3 ALA 63 HB3 ALA 63 12.046 -5.304 6.830 457 HA PRO 64 HA PRO 64 14.782 -9.247 9.685 458 HB2 PRO 64 HB2 PRO 64 15.376 -9.213 12.333 459 HB3 PRO 64 HB3 PRO 64 16.425 -8.497 11.104 460 HG2 PRO 64 HG2 PRO 64 14.442 -7.167 12.909 461 HG3 PRO 64 HG3 PRO 64 16.079 -6.646 12.469 462 HD2 PRO 64 HD2 PRO 64 13.860 -5.604 11.320 463 HD3 PRO 64 HD3 PRO 64 15.394 -5.781 10.445 464 HA PRO 65 HA PRO 65 11.400 -11.544 11.304 465 HB2 PRO 65 HB2 PRO 65 12.619 -13.694 12.428 466 HB3 PRO 65 HB3 PRO 65 12.512 -13.456 10.680 467 HG2 PRO 65 HG2 PRO 65 14.794 -12.890 12.533 468 HG3 PRO 65 HG3 PRO 65 14.817 -13.637 10.924 469 HD2 PRO 65 HD2 PRO 65 15.468 -11.041 11.335 470 HD3 PRO 65 HD3 PRO 65 14.691 -11.606 9.842 471 H GLY 66 H GLY 66 13.862 -10.433 13.454 472 HA2 GLY 66 HA2 GLY 66 12.363 -9.546 15.496 473 HA3 GLY 66 HA3 GLY 66 12.462 -11.262 15.857 474 H ALA 67 H ALA 67 15.227 -11.191 14.539 475 HA ALA 67 HA ALA 67 16.702 -9.790 16.655 476 HB1 ALA 67 HB1 ALA 67 17.664 -12.494 15.892 477 HB2 ALA 67 HB2 ALA 67 17.810 -11.628 17.422 478 HB3 ALA 67 HB3 ALA 67 16.279 -12.383 16.979 479 H ALA 68 H ALA 68 18.167 -8.510 15.760 480 HA ALA 68 HA ALA 68 20.080 -9.343 13.883 481 HB1 ALA 68 HB1 ALA 68 19.315 -7.875 11.967 482 HB2 ALA 68 HB2 ALA 68 18.419 -9.375 12.208 483 HB3 ALA 68 HB3 ALA 68 17.734 -7.843 12.749 484 HA PRO 69 HA PRO 69 20.894 -5.444 16.271 485 HB2 PRO 69 HB2 PRO 69 23.263 -6.288 17.292 486 HB3 PRO 69 HB3 PRO 69 21.710 -6.627 18.063 487 HG2 PRO 69 HG2 PRO 69 23.378 -8.388 16.309 488 HG3 PRO 69 HG3 PRO 69 22.515 -8.793 17.804 489 HD2 PRO 69 HD2 PRO 69 21.535 -9.386 15.351 490 HD3 PRO 69 HD3 PRO 69 20.486 -8.993 16.728 491 HA PRO 70 HA PRO 70 23.699 -3.655 13.397 492 HB2 PRO 70 HB2 PRO 70 25.165 -1.979 14.950 493 HB3 PRO 70 HB3 PRO 70 23.473 -1.674 14.539 494 HG2 PRO 70 HG2 PRO 70 24.634 -2.833 17.043 495 HG3 PRO 70 HG3 PRO 70 23.339 -1.636 16.860 496 HD2 PRO 70 HD2 PRO 70 22.846 -4.252 17.361 497 HD3 PRO 70 HD3 PRO 70 21.750 -3.241 16.397 498 HA PRO 71 HA PRO 71 27.613 -5.655 13.281 499 HB2 PRO 71 HB2 PRO 71 29.206 -3.792 12.112 500 HB3 PRO 71 HB3 PRO 71 27.956 -4.678 11.230 501 HG2 PRO 71 HG2 PRO 71 27.864 -1.917 12.383 502 HG3 PRO 71 HG3 PRO 71 27.276 -2.494 10.813 503 HD2 PRO 71 HD2 PRO 71 25.631 -2.085 12.925 504 HD3 PRO 71 HD3 PRO 71 25.334 -3.349 11.714 505 H ALA 72 H ALA 72 27.975 -2.258 14.315 506 HA ALA 72 HA ALA 72 29.153 -1.298 16.010 507 HB1 ALA 72 HB1 ALA 72 29.384 -4.044 17.219 508 HB2 ALA 72 HB2 ALA 72 29.432 -2.485 18.043 509 HB3 ALA 72 HB3 ALA 72 27.926 -3.058 17.327 510 H ALA 73 H ALA 73 30.637 -1.616 13.848 511 HA ALA 73 HA ALA 73 33.278 -2.176 14.938 512 HB1 ALA 73 HB1 ALA 73 32.463 -3.402 12.312 513 HB2 ALA 73 HB2 ALA 73 33.966 -3.644 13.203 514 HB3 ALA 73 HB3 ALA 73 32.451 -4.281 13.841 515 H GLY 74 H GLY 74 31.913 -1.605 11.688 516 HA2 GLY 74 HA2 GLY 74 32.065 0.898 11.082 517 HA3 GLY 74 HA3 GLY 74 33.774 0.659 11.415 518 H GLY 75 H GLY 75 33.945 1.447 9.155 519 HA2 GLY 75 HA2 GLY 75 33.037 -0.243 7.025 520 HA3 GLY 75 HA3 GLY 75 34.144 1.114 6.879 521 H SER 76 H SER 76 34.265 -1.534 5.636 522 HA SER 76 HA SER 76 35.750 -3.206 5.198 523 HB2 SER 76 HB2 SER 76 37.532 -0.980 6.164 524 HB3 SER 76 HB3 SER 76 38.203 -2.527 5.649 525 HG SER 76 HG SER 76 37.630 -0.547 4.105 526 HA PRO 77 HA PRO 77 35.735 -4.579 9.650 527 HB2 PRO 77 HB2 PRO 77 34.203 -6.779 9.221 528 HB3 PRO 77 HB3 PRO 77 33.520 -5.183 9.558 529 HG2 PRO 77 HG2 PRO 77 33.874 -6.575 6.932 530 HG3 PRO 77 HG3 PRO 77 32.487 -5.645 7.527 531 HD2 PRO 77 HD2 PRO 77 34.305 -4.609 5.809 532 HD3 PRO 77 HD3 PRO 77 33.466 -3.621 7.022 533 H SER 78 H SER 78 37.988 -5.019 9.283 534 HA SER 78 HA SER 78 38.669 -7.729 9.386 535 HB2 SER 78 HB2 SER 78 39.208 -8.359 7.282 536 HB3 SER 78 HB3 SER 78 38.166 -7.028 6.781 537 HG SER 78 HG SER 78 40.093 -6.710 5.767 538 HA PRO 79 HA PRO 79 42.406 -6.055 10.958 539 HB2 PRO 79 HB2 PRO 79 44.223 -7.965 10.311 540 HB3 PRO 79 HB3 PRO 79 42.997 -8.191 11.564 541 HG2 PRO 79 HG2 PRO 79 42.999 -9.137 8.724 542 HG3 PRO 79 HG3 PRO 79 42.513 -10.005 10.192 543 HD2 PRO 79 HD2 PRO 79 40.721 -8.875 8.506 544 HD3 PRO 79 HD3 PRO 79 40.443 -8.993 10.256 545 HA PRO 80 HA PRO 80 44.783 -3.924 7.935 546 HB2 PRO 80 HB2 PRO 80 47.256 -3.856 9.053 547 HB3 PRO 80 HB3 PRO 80 45.900 -2.898 9.661 548 HG2 PRO 80 HG2 PRO 80 46.989 -5.496 10.674 549 HG3 PRO 80 HG3 PRO 80 46.465 -4.070 11.588 550 HD2 PRO 80 HD2 PRO 80 44.908 -6.265 11.296 551 HD3 PRO 80 HD3 PRO 80 44.234 -4.628 11.424 552 H ALA 81 H ALA 81 44.539 -5.752 6.403 553 HA ALA 81 HA ALA 81 46.989 -6.454 5.235 554 HB1 ALA 81 HB1 ALA 81 45.986 -9.057 5.898 555 HB2 ALA 81 HB2 ALA 81 47.588 -8.373 6.175 556 HB3 ALA 81 HB3 ALA 81 46.312 -8.144 7.371 557 H ASP 82 H ASP 82 46.492 -8.571 3.717 558 HA ASP 82 HA ASP 82 43.940 -7.929 2.391 559 HB2 ASP 82 HB2 ASP 82 45.058 -8.726 0.295 560 HB3 ASP 82 HB3 ASP 82 45.779 -7.276 0.987 561 H GLY 83 H GLY 83 43.997 -9.788 4.472 562 HA2 GLY 83 HA2 GLY 83 42.637 -11.784 4.487 563 HA3 GLY 83 HA3 GLY 83 43.398 -12.256 2.975 564 H GLY 84 H GLY 84 43.187 -13.211 6.000 565 HA2 GLY 84 HA2 GLY 84 44.967 -15.107 6.237 566 HA3 GLY 84 HA3 GLY 84 46.044 -13.731 6.421 567 H SER 85 H SER 85 43.644 -15.709 7.916 568 HA SER 85 HA SER 85 44.456 -15.033 10.523 569 HB2 SER 85 HB2 SER 85 43.017 -12.988 9.693 570 HB3 SER 85 HB3 SER 85 41.662 -14.053 10.069 571 HG SER 85 HG SER 85 42.075 -12.969 11.925 572 HA PRO 86 HA PRO 86 42.094 -18.985 9.888 573 HB2 PRO 86 HB2 PRO 86 44.021 -20.580 10.942 574 HB3 PRO 86 HB3 PRO 86 43.991 -20.107 9.239 575 HG2 PRO 86 HG2 PRO 86 45.595 -18.966 11.495 576 HG3 PRO 86 HG3 PRO 86 46.103 -19.338 9.837 577 HD2 PRO 86 HD2 PRO 86 45.494 -16.826 10.646 578 HD3 PRO 86 HD3 PRO 86 45.198 -17.394 8.990 579 HA PRO 87 HA PRO 87 40.653 -19.375 14.024 580 HB2 PRO 87 HB2 PRO 87 40.207 -22.043 14.256 581 HB3 PRO 87 HB3 PRO 87 39.192 -20.982 13.272 582 HG2 PRO 87 HG2 PRO 87 41.417 -22.795 12.423 583 HG3 PRO 87 HG3 PRO 87 39.837 -22.531 11.663 584 HD2 PRO 87 HD2 PRO 87 42.105 -21.368 10.749 585 HD3 PRO 87 HD3 PRO 87 40.516 -20.584 10.634 586 HA PRO 88 HA PRO 88 43.802 -20.479 16.887 587 HB2 PRO 88 HB2 PRO 88 42.386 -21.424 19.003 588 HB3 PRO 88 HB3 PRO 88 42.428 -19.713 18.562 589 HG2 PRO 88 HG2 PRO 88 40.337 -21.771 17.968 590 HG3 PRO 88 HG3 PRO 88 40.134 -20.092 18.500 591 HD2 PRO 88 HD2 PRO 88 39.837 -20.848 15.917 592 HD3 PRO 88 HD3 PRO 88 40.455 -19.249 16.379 593 HA PRO 89 HA PRO 89 44.887 -24.738 16.755 594 HB2 PRO 89 HB2 PRO 89 46.130 -25.117 19.139 595 HB3 PRO 89 HB3 PRO 89 46.846 -24.184 17.820 596 HG2 PRO 89 HG2 PRO 89 45.401 -23.216 20.256 597 HG3 PRO 89 HG3 PRO 89 46.883 -22.588 19.511 598 HD2 PRO 89 HD2 PRO 89 44.462 -21.433 19.140 599 HD3 PRO 89 HD3 PRO 89 45.724 -21.425 17.892 600 H ALA 90 H ALA 90 44.690 -26.856 17.899 601 HA ALA 90 HA ALA 90 42.066 -27.026 19.163 602 HB1 ALA 90 HB1 ALA 90 42.704 -29.582 18.884 603 HB2 ALA 90 HB2 ALA 90 42.090 -28.622 17.537 604 HB3 ALA 90 HB3 ALA 90 43.822 -28.915 17.693 605 H ASP 91 H ASP 91 41.820 -28.690 20.930 606 HA ASP 91 HA ASP 91 44.053 -29.328 22.577 607 HB2 ASP 91 HB2 ASP 91 43.111 -26.728 22.903 608 HB3 ASP 91 HB3 ASP 91 42.364 -27.625 24.221 609 H GLY 92 H GLY 92 43.062 -29.872 24.942 610 HA2 GLY 92 HA2 GLY 92 40.783 -31.642 24.350 611 HA3 GLY 92 HA3 GLY 92 41.979 -31.915 25.608 612 H GLY 93 H GLY 93 40.167 -32.234 27.046 613 HA2 GLY 93 HA2 GLY 93 39.560 -29.901 28.542 614 HA3 GLY 93 HA3 GLY 93 38.168 -30.380 27.583 615 H SER 94 H SER 94 39.734 -30.762 30.502 616 HA SER 94 HA SER 94 37.822 -32.603 31.484 617 HB2 SER 94 HB2 SER 94 40.023 -34.165 32.091 618 HB3 SER 94 HB3 SER 94 38.807 -34.533 30.869 619 HG SER 94 HG SER 94 41.126 -32.983 30.360 620 HA PRO 95 HA PRO 95 36.626 -31.667 32.651 621 HB2 PRO 95 HB2 PRO 95 35.861 -29.264 33.656 622 HB3 PRO 95 HB3 PRO 95 35.939 -30.733 34.635 623 HG2 PRO 95 HG2 PRO 95 37.915 -28.495 34.418 624 HG3 PRO 95 HG3 PRO 95 37.350 -29.353 35.864 625 HD2 PRO 95 HD2 PRO 95 39.721 -29.902 34.677 626 HD3 PRO 95 HD3 PRO 95 38.758 -31.142 35.506 627 HA PRO 96 HA PRO 96 36.851 -29.237 28.991 628 HB2 PRO 96 HB2 PRO 96 34.236 -28.646 28.568 629 HB3 PRO 96 HB3 PRO 96 34.907 -30.263 28.324 630 HG2 PRO 96 HG2 PRO 96 33.379 -29.179 30.659 631 HG3 PRO 96 HG3 PRO 96 33.222 -30.749 29.851 632 HD2 PRO 96 HD2 PRO 96 34.571 -30.437 32.178 633 HD3 PRO 96 HD3 PRO 96 35.034 -31.643 30.961 634 H VAL 97 H VAL 97 37.982 -27.407 29.753 635 HA VAL 97 HA VAL 97 36.562 -24.962 29.581 636 HB VAL 97 HB VAL 97 35.909 -25.521 31.880 637 HG11 VAL 97 HG11 VAL 97 38.256 -26.737 32.167 638 HG12 VAL 97 HG12 VAL 97 38.678 -25.180 32.883 639 HG13 VAL 97 HG13 VAL 97 37.340 -26.122 33.542 640 HG21 VAL 97 HG21 VAL 97 36.951 -23.138 30.967 641 HG22 VAL 97 HG22 VAL 97 36.008 -23.361 32.441 642 HG23 VAL 97 HG23 VAL 97 37.770 -23.376 32.510 643 H ASP 98 H ASP 98 37.915 -23.387 28.944 644 HA ASP 98 HA ASP 98 40.575 -23.067 29.805 645 HB2 ASP 98 HB2 ASP 98 40.295 -25.094 27.884 646 HB3 ASP 98 HB3 ASP 98 40.925 -23.702 27.006 647 H GLY 99 H GLY 99 38.615 -22.709 26.844 648 HA2 GLY 99 HA2 GLY 99 37.822 -20.731 25.902 649 HA3 GLY 99 HA3 GLY 99 38.718 -19.825 27.112 650 H GLY 100 H GLY 100 40.172 -22.292 25.088 651 HA2 GLY 100 HA2 GLY 100 41.480 -22.048 23.160 652 HA3 GLY 100 HA3 GLY 100 41.285 -20.305 23.275 653 H SER 101 H SER 101 42.375 -19.349 25.309 654 HA SER 101 HA SER 101 44.302 -18.867 26.417 655 HB2 SER 101 HB2 SER 101 43.984 -21.728 26.660 656 HB3 SER 101 HB3 SER 101 45.695 -21.305 26.585 657 HG SER 101 HG SER 101 43.792 -20.705 28.519 658 HA PRO 102 HA PRO 102 47.487 -18.295 23.456 659 HB2 PRO 102 HB2 PRO 102 49.712 -18.158 25.005 660 HB3 PRO 102 HB3 PRO 102 48.496 -16.876 24.955 661 HG2 PRO 102 HG2 PRO 102 48.866 -19.058 26.971 662 HG3 PRO 102 HG3 PRO 102 48.499 -17.342 27.233 663 HD2 PRO 102 HD2 PRO 102 46.601 -19.270 27.337 664 HD3 PRO 102 HD3 PRO 102 46.258 -17.622 26.774 665 HA PRO 103 HA PRO 103 49.961 -17.995 23.028 666 HB2 PRO 103 HB2 PRO 103 50.911 -18.610 20.561 667 HB3 PRO 103 HB3 PRO 103 51.838 -18.879 22.041 668 HG2 PRO 103 HG2 PRO 103 50.234 -20.826 20.430 669 HG3 PRO 103 HG3 PRO 103 51.832 -21.035 21.169 670 HD2 PRO 103 HD2 PRO 103 49.570 -22.008 22.294 671 HD3 PRO 103 HD3 PRO 103 50.952 -21.450 23.258 672 HA PRO 104 HA PRO 104 46.658 -16.562 20.505 673 HB2 PRO 104 HB2 PRO 104 47.840 -14.633 19.004 674 HB3 PRO 104 HB3 PRO 104 47.518 -14.443 20.731 675 HG2 PRO 104 HG2 PRO 104 50.067 -15.189 19.352 676 HG3 PRO 104 HG3 PRO 104 49.813 -14.071 20.704 677 HD2 PRO 104 HD2 PRO 104 50.719 -16.599 21.054 678 HD3 PRO 104 HD3 PRO 104 49.705 -15.773 22.255 679 HA PRO 105 HA PRO 105 46.536 -18.438 16.530 680 HB2 PRO 105 HB2 PRO 105 44.998 -16.718 15.100 681 HB3 PRO 105 HB3 PRO 105 44.347 -17.760 16.371 682 HG2 PRO 105 HG2 PRO 105 45.097 -14.864 16.494 683 HG3 PRO 105 HG3 PRO 105 43.674 -15.681 17.167 684 HD2 PRO 105 HD2 PRO 105 45.823 -15.019 18.676 685 HD3 PRO 105 HD3 PRO 105 44.830 -16.454 19.005 686 H SER 106 H SER 106 46.588 -17.682 14.038 687 HA SER 106 HA SER 106 48.005 -17.097 12.352 688 HB2 SER 106 HB2 SER 106 46.945 -14.868 13.075 689 HB3 SER 106 HB3 SER 106 48.488 -14.532 13.861 690 HG SER 106 HG SER 106 48.230 -13.765 11.628 691 H THR 107 H THR 107 49.592 -18.661 12.830 692 HA THR 107 HA THR 107 51.855 -17.854 14.484 693 HB THR 107 HB THR 107 52.193 -20.388 13.109 694 HG1 THR 107 HG1 THR 107 50.017 -20.370 14.911 695 HG21 THR 107 HG21 THR 107 53.480 -20.024 15.030 696 HG22 THR 107 HG22 THR 107 52.225 -21.139 15.572 697 HG23 THR 107 HG23 THR 107 52.103 -19.421 15.950 698 H HIS 108 H HIS 108 51.505 -19.333 11.251 699 HA HIS 108 HA HIS 108 52.680 -19.067 9.322 700 HB2 HIS 108 HB2 HIS 108 51.951 -16.663 9.749 701 HB3 HIS 108 HB3 HIS 108 53.568 -16.389 10.391 702 HD1 HIS 108 HD1 HIS 108 55.187 -15.550 8.729 703 HD2 HIS 108 HD2 HIS 108 52.132 -17.724 6.940 704 HE1 HIS 108 HE1 HIS 108 55.618 -15.406 6.256 Start of MODEL 7 1 H1 ALA 1 H ALA 1 5.140 -6.838 1.193 2 HA ALA 1 HA ALA 1 7.278 -5.745 0.798 3 HB1 ALA 1 HB1 ALA 1 6.873 -4.166 -1.420 4 HB2 ALA 1 HB2 ALA 1 7.813 -5.658 -1.367 5 HB3 ALA 1 HB3 ALA 1 6.123 -5.697 -1.872 6 H GLY 2 H GLY 2 7.711 -3.533 1.279 7 HA2 GLY 2 HA2 GLY 2 5.578 -1.601 1.284 8 HA3 GLY 2 HA3 GLY 2 5.939 -2.229 2.885 9 H SER 3 H SER 3 6.243 0.487 1.803 10 HA SER 3 HA SER 3 8.834 1.199 1.179 11 HB2 SER 3 HB2 SER 3 7.053 2.814 3.009 12 HB3 SER 3 HB3 SER 3 8.291 3.414 1.905 13 HG SER 3 HG SER 3 5.738 2.380 1.326 14 H LYS 4 H LYS 4 10.581 0.453 2.202 15 HA LYS 4 HA LYS 4 11.297 1.359 4.757 16 HB2 LYS 4 HB2 LYS 4 11.331 -0.812 5.971 17 HB3 LYS 4 HB3 LYS 4 9.707 -0.229 5.631 18 HG2 LYS 4 HG2 LYS 4 9.205 -2.078 4.521 19 HG3 LYS 4 HG3 LYS 4 10.636 -1.920 3.498 20 HD2 LYS 4 HD2 LYS 4 11.994 -3.035 5.153 21 HD3 LYS 4 HD3 LYS 4 10.639 -3.081 6.284 22 HE2 LYS 4 HE2 LYS 4 10.817 -4.502 3.629 23 HE3 LYS 4 HE3 LYS 4 10.925 -5.244 5.225 24 HZ1 LYS 4 HZ1 LYS 4 8.738 -5.596 4.535 25 HZ2 LYS 4 HZ2 LYS 4 8.564 -4.027 3.927 26 HZ3 LYS 4 HZ3 LYS 4 8.622 -4.284 5.598 27 H LEU 5 H LEU 5 13.151 -0.391 5.607 28 HA LEU 5 HA LEU 5 14.947 -0.609 3.290 29 HB2 LEU 5 HB2 LEU 5 15.292 0.213 6.075 30 HB3 LEU 5 HB3 LEU 5 16.529 -0.906 5.506 31 HG LEU 5 HG LEU 5 15.947 1.415 3.765 32 HD11 LEU 5 HD11 LEU 5 17.211 1.657 6.481 33 HD12 LEU 5 HD12 LEU 5 15.895 2.609 5.796 34 HD13 LEU 5 HD13 LEU 5 17.534 2.795 5.172 35 HD21 LEU 5 HD21 LEU 5 18.255 1.275 3.289 36 HD22 LEU 5 HD22 LEU 5 17.678 -0.389 3.374 37 HD23 LEU 5 HD23 LEU 5 18.572 0.305 4.728 38 H CYS 6 H CYS 6 15.924 -2.504 2.776 39 HA CYS 6 HA CYS 6 15.273 -4.838 4.455 40 HB2 CYS 6 HB2 CYS 6 15.423 -4.627 1.444 41 HB3 CYS 6 HB3 CYS 6 15.339 -6.158 2.309 42 H GLU 7 H GLU 7 16.886 -6.240 4.950 43 HA GLU 7 HA GLU 7 19.531 -5.739 3.758 44 HB2 GLU 7 HB2 GLU 7 20.604 -5.837 5.840 45 HB3 GLU 7 HB3 GLU 7 19.187 -4.839 6.136 46 HG2 GLU 7 HG2 GLU 7 18.905 -6.175 7.904 47 HG3 GLU 7 HG3 GLU 7 18.204 -7.284 6.726 48 H LYS 8 H LYS 8 20.742 -7.505 3.258 49 HA LYS 8 HA LYS 8 19.451 -10.118 3.656 50 HB2 LYS 8 HB2 LYS 8 21.580 -9.439 1.627 51 HB3 LYS 8 HB3 LYS 8 20.569 -10.877 1.678 52 HG2 LYS 8 HG2 LYS 8 19.615 -8.071 1.144 53 HG3 LYS 8 HG3 LYS 8 19.843 -9.340 -0.061 54 HD2 LYS 8 HD2 LYS 8 18.219 -10.684 1.496 55 HD3 LYS 8 HD3 LYS 8 17.751 -9.076 2.053 56 HE2 LYS 8 HE2 LYS 8 17.693 -10.069 -0.796 57 HE3 LYS 8 HE3 LYS 8 16.295 -9.828 0.252 58 HZ1 LYS 8 HZ1 LYS 8 17.736 -7.447 0.224 59 HZ2 LYS 8 HZ2 LYS 8 16.211 -7.743 -0.444 60 HZ3 LYS 8 HZ3 LYS 8 17.601 -7.952 -1.385 61 H THR 9 H THR 9 20.559 -11.819 4.530 62 HA THR 9 HA THR 9 23.100 -11.146 5.833 63 HB THR 9 HB THR 9 21.577 -13.648 6.448 64 HG1 THR 9 HG1 THR 9 20.897 -11.005 7.245 65 HG21 THR 9 HG21 THR 9 23.853 -13.026 7.420 66 HG22 THR 9 HG22 THR 9 22.589 -13.461 8.571 67 HG23 THR 9 HG23 THR 9 23.002 -11.767 8.314 68 H SER 10 H SER 10 23.792 -11.492 3.398 69 HA SER 10 HA SER 10 24.915 -12.735 1.849 70 HB2 SER 10 HB2 SER 10 26.572 -12.834 3.610 71 HB3 SER 10 HB3 SER 10 25.729 -14.176 4.383 72 HG SER 10 HG SER 10 27.603 -14.687 2.984 73 H LYS 11 H LYS 11 22.515 -13.410 1.413 74 HA LYS 11 HA LYS 11 22.123 -16.280 1.812 75 HB2 LYS 11 HB2 LYS 11 19.892 -15.650 0.579 76 HB3 LYS 11 HB3 LYS 11 20.113 -15.255 2.279 77 HG2 LYS 11 HG2 LYS 11 19.120 -13.411 1.004 78 HG3 LYS 11 HG3 LYS 11 20.675 -12.975 1.717 79 HD2 LYS 11 HD2 LYS 11 21.684 -12.754 -0.297 80 HD3 LYS 11 HD3 LYS 11 20.772 -14.083 -1.017 81 HE2 LYS 11 HE2 LYS 11 19.696 -11.321 -0.453 82 HE3 LYS 11 HE3 LYS 11 20.219 -11.910 -2.030 83 HZ1 LYS 11 HZ1 LYS 11 18.025 -12.363 -2.196 84 HZ2 LYS 11 HZ2 LYS 11 17.798 -12.525 -0.528 85 HZ3 LYS 11 HZ3 LYS 11 18.482 -13.793 -1.415 86 H THR 12 H THR 12 24.169 -15.241 -0.005 87 HA THR 12 HA THR 12 23.622 -16.932 -2.236 88 HB THR 12 HB THR 12 24.212 -14.648 -3.689 89 HG1 THR 12 HG1 THR 12 23.518 -13.485 -1.718 90 HG21 THR 12 HG21 THR 12 21.389 -15.583 -3.319 91 HG22 THR 12 HG22 THR 12 22.591 -16.637 -4.063 92 HG23 THR 12 HG23 THR 12 22.211 -15.079 -4.795 93 H TYR 13 H TYR 13 25.600 -14.417 -0.781 94 HA TYR 13 HA TYR 13 27.888 -14.533 -2.298 95 HB2 TYR 13 HB2 TYR 13 27.429 -13.042 -0.304 96 HB3 TYR 13 HB3 TYR 13 27.903 -14.394 0.719 97 HD1 TYR 13 HD2 TYR 13 30.250 -15.280 0.554 98 HD2 TYR 13 HD1 TYR 13 29.049 -11.661 -1.335 99 HE1 TYR 13 HE2 TYR 13 32.607 -14.609 0.354 100 HE2 TYR 13 HE1 TYR 13 31.403 -10.981 -1.541 101 HH TYR 13 HH TYR 13 34.031 -13.101 -0.443 102 H SER 14 H SER 14 26.719 -16.836 0.068 103 HA SER 14 HA SER 14 27.329 -18.982 0.526 104 HB2 SER 14 HB2 SER 14 29.330 -18.870 -1.724 105 HB3 SER 14 HB3 SER 14 28.437 -20.264 -1.115 106 HG SER 14 HG SER 14 27.614 -19.407 -3.113 107 H GLY 15 H GLY 15 29.799 -20.269 0.406 108 HA2 GLY 15 HA2 GLY 15 31.054 -19.414 2.723 109 HA3 GLY 15 HA3 GLY 15 31.802 -20.447 1.514 110 H LYS 16 H LYS 16 33.536 -18.950 2.740 111 HA LYS 16 HA LYS 16 35.230 -17.468 2.400 112 HB2 LYS 16 HB2 LYS 16 34.229 -18.046 -0.217 113 HB3 LYS 16 HB3 LYS 16 34.641 -16.338 -0.139 114 HG2 LYS 16 HG2 LYS 16 36.772 -16.850 -0.415 115 HG3 LYS 16 HG3 LYS 16 36.744 -17.765 1.094 116 HD2 LYS 16 HD2 LYS 16 36.135 -19.771 -0.050 117 HD3 LYS 16 HD3 LYS 16 35.863 -18.894 -1.558 118 HE2 LYS 16 HE2 LYS 16 38.266 -18.301 -1.594 119 HE3 LYS 16 HE3 LYS 16 38.502 -19.284 -0.149 120 HZ1 LYS 16 HZ1 LYS 16 38.692 -20.156 -2.716 121 HZ2 LYS 16 HZ2 LYS 16 37.159 -20.698 -2.248 122 HZ3 LYS 16 HZ3 LYS 16 38.523 -21.141 -1.350 123 H CYS 17 H CYS 17 35.653 -15.085 1.934 124 HA CYS 17 HA CYS 17 33.554 -13.231 1.735 125 HB2 CYS 17 HB2 CYS 17 33.229 -14.366 4.081 126 HB3 CYS 17 HB3 CYS 17 34.554 -13.310 4.557 127 H ASP 18 H ASP 18 34.265 -11.019 2.069 128 HA ASP 18 HA ASP 18 37.010 -10.482 2.704 129 HB2 ASP 18 HB2 ASP 18 36.564 -11.271 0.098 130 HB3 ASP 18 HB3 ASP 18 36.512 -9.514 -0.013 131 H ASN 19 H ASN 19 37.308 -8.049 1.404 132 HA ASN 19 HA ASN 19 35.350 -6.449 2.855 133 HB2 ASN 19 HB2 ASN 19 37.030 -4.591 1.952 134 HB3 ASN 19 HB3 ASN 19 37.404 -5.567 3.370 135 HD21 ASN 19 HD22 ASN 19 38.971 -7.151 3.241 136 HD22 ASN 19 HD21 ASN 19 40.081 -7.252 1.921 137 H LYS 20 H LYS 20 37.012 -5.822 -0.224 138 HA LYS 20 HA LYS 20 34.851 -4.337 -1.287 139 HB2 LYS 20 HB2 LYS 20 37.398 -4.370 -1.917 140 HB3 LYS 20 HB3 LYS 20 36.907 -5.629 -3.042 141 HG2 LYS 20 HG2 LYS 20 35.086 -3.486 -3.328 142 HG3 LYS 20 HG3 LYS 20 36.716 -2.808 -3.324 143 HD2 LYS 20 HD2 LYS 20 36.395 -5.246 -4.931 144 HD3 LYS 20 HD3 LYS 20 35.480 -3.851 -5.509 145 HE2 LYS 20 HE2 LYS 20 37.547 -3.692 -6.597 146 HE3 LYS 20 HE3 LYS 20 37.660 -2.543 -5.264 147 HZ1 LYS 20 HZ1 LYS 20 38.547 -5.105 -4.444 148 HZ2 LYS 20 HZ2 LYS 20 39.388 -3.638 -4.449 149 HZ3 LYS 20 HZ3 LYS 20 39.390 -4.618 -5.828 150 H LYS 21 H LYS 21 35.878 -7.689 -1.648 151 HA LYS 21 HA LYS 21 34.176 -8.424 -3.747 152 HB2 LYS 21 HB2 LYS 21 35.283 -10.052 -1.455 153 HB3 LYS 21 HB3 LYS 21 34.431 -10.748 -2.828 154 HG2 LYS 21 HG2 LYS 21 37.026 -9.224 -2.908 155 HG3 LYS 21 HG3 LYS 21 36.808 -10.959 -3.145 156 HD2 LYS 21 HD2 LYS 21 36.812 -10.374 -5.329 157 HD3 LYS 21 HD3 LYS 21 35.113 -10.018 -5.012 158 HE2 LYS 21 HE2 LYS 21 35.466 -7.904 -5.588 159 HE3 LYS 21 HE3 LYS 21 36.604 -7.741 -4.251 160 HZ1 LYS 21 HZ1 LYS 21 37.224 -8.572 -7.032 161 HZ2 LYS 21 HZ2 LYS 21 38.336 -8.638 -5.759 162 HZ3 LYS 21 HZ3 LYS 21 37.710 -7.148 -6.258 163 H CYS 22 H CYS 22 33.637 -8.227 -0.274 164 HA CYS 22 HA CYS 22 31.125 -9.520 -0.232 165 HB2 CYS 22 HB2 CYS 22 32.448 -9.187 1.799 166 HB3 CYS 22 HB3 CYS 22 32.263 -7.442 1.649 167 H ASP 23 H ASP 23 31.900 -6.041 -0.056 168 HA ASP 23 HA ASP 23 29.281 -5.105 -0.267 169 HB2 ASP 23 HB2 ASP 23 31.508 -3.851 0.268 170 HB3 ASP 23 HB3 ASP 23 31.572 -3.588 -1.473 171 H LYS 24 H LYS 24 31.680 -5.747 -2.797 172 HA LYS 24 HA LYS 24 30.119 -4.848 -4.965 173 HB2 LYS 24 HB2 LYS 24 32.469 -5.122 -5.284 174 HB3 LYS 24 HB3 LYS 24 32.404 -6.810 -4.794 175 HG2 LYS 24 HG2 LYS 24 31.144 -7.361 -6.800 176 HG3 LYS 24 HG3 LYS 24 31.159 -5.665 -7.286 177 HD2 LYS 24 HD2 LYS 24 33.287 -5.767 -8.021 178 HD3 LYS 24 HD3 LYS 24 33.801 -6.806 -6.690 179 HE2 LYS 24 HE2 LYS 24 32.219 -8.510 -8.064 180 HE3 LYS 24 HE3 LYS 24 32.822 -7.505 -9.381 181 HZ1 LYS 24 HZ1 LYS 24 34.240 -9.398 -7.695 182 HZ2 LYS 24 HZ2 LYS 24 35.074 -7.972 -8.053 183 HZ3 LYS 24 HZ3 LYS 24 34.517 -8.962 -9.306 184 H LYS 25 H LYS 25 30.645 -8.121 -3.670 185 HA LYS 25 HA LYS 25 28.966 -9.469 -5.464 186 HB2 LYS 25 HB2 LYS 25 30.635 -10.521 -3.910 187 HB3 LYS 25 HB3 LYS 25 29.505 -10.239 -2.592 188 HG2 LYS 25 HG2 LYS 25 28.228 -11.985 -3.153 189 HG3 LYS 25 HG3 LYS 25 28.339 -11.638 -4.880 190 HD2 LYS 25 HD2 LYS 25 30.878 -12.524 -3.817 191 HD3 LYS 25 HD3 LYS 25 29.602 -13.702 -3.499 192 HE2 LYS 25 HE2 LYS 25 28.989 -13.339 -5.989 193 HE3 LYS 25 HE3 LYS 25 30.613 -12.665 -6.121 194 HZ1 LYS 25 HZ1 LYS 25 30.446 -15.074 -6.644 195 HZ2 LYS 25 HZ2 LYS 25 30.037 -15.363 -5.028 196 HZ3 LYS 25 HZ3 LYS 25 31.552 -14.715 -5.415 197 H CYS 26 H CYS 26 28.249 -7.461 -2.764 198 HA CYS 26 HA CYS 26 25.640 -8.496 -2.221 199 HB2 CYS 26 HB2 CYS 26 27.157 -6.036 -1.423 200 HB3 CYS 26 HB3 CYS 26 25.427 -6.134 -1.110 201 H ILE 27 H ILE 27 26.791 -5.543 -3.853 202 HA ILE 27 HA ILE 27 24.167 -4.879 -4.805 203 HB ILE 27 HB ILE 27 26.783 -3.746 -5.789 204 HG12 ILE 27 HG12 ILE 27 25.485 -2.050 -3.886 205 HG13 ILE 27 HG13 ILE 27 25.702 -3.639 -3.162 206 HG21 ILE 27 HG21 ILE 27 24.989 -1.724 -5.818 207 HG22 ILE 27 HG22 ILE 27 25.323 -2.772 -7.196 208 HG23 ILE 27 HG23 ILE 27 23.938 -3.100 -6.153 209 HD11 ILE 27 HD11 ILE 27 28.135 -3.335 -4.170 210 HD12 ILE 27 HD12 ILE 27 27.711 -1.634 -3.981 211 HD13 ILE 27 HD13 ILE 27 27.680 -2.710 -2.585 212 H GLU 28 H GLU 28 26.652 -6.945 -5.864 213 HA GLU 28 HA GLU 28 25.999 -6.805 -8.674 214 HB2 GLU 28 HB2 GLU 28 27.869 -8.465 -7.017 215 HB3 GLU 28 HB3 GLU 28 27.502 -8.935 -8.671 216 HG2 GLU 28 HG2 GLU 28 28.192 -6.133 -8.482 217 HG3 GLU 28 HG3 GLU 28 29.464 -7.171 -7.840 218 H TRP 29 H TRP 29 25.467 -9.063 -5.997 219 HA TRP 29 HA TRP 29 23.649 -10.611 -7.708 220 HB2 TRP 29 HB2 TRP 29 25.045 -11.277 -5.116 221 HB3 TRP 29 HB3 TRP 29 23.771 -12.285 -5.797 222 HD1 TRP 29 HD1 TRP 29 26.760 -10.639 -7.645 223 HE1 TRP 29 HE1 TRP 29 28.067 -12.502 -8.847 224 HE3 TRP 29 HE3 TRP 29 24.108 -14.687 -5.995 225 HZ2 TRP 29 HZ2 TRP 29 27.985 -15.315 -9.068 226 HZ3 TRP 29 HZ3 TRP 29 24.787 -16.929 -6.749 227 HH2 TRP 29 HH2 TRP 29 26.685 -17.234 -8.254 228 H GLU 30 H GLU 30 23.844 -9.267 -4.412 229 HA GLU 30 HA GLU 30 20.993 -9.556 -4.038 230 HB2 GLU 30 HB2 GLU 30 23.002 -8.147 -2.275 231 HB3 GLU 30 HB3 GLU 30 21.376 -8.641 -1.826 232 HG2 GLU 30 HG2 GLU 30 21.948 -10.830 -1.594 233 HG3 GLU 30 HG3 GLU 30 23.240 -10.735 -2.790 234 H LYS 31 H LYS 31 22.863 -7.392 -5.665 235 HA LYS 31 HA LYS 31 22.664 -5.199 -6.297 236 HB2 LYS 31 HB2 LYS 31 19.700 -5.715 -6.118 237 HB3 LYS 31 HB3 LYS 31 20.554 -4.669 -7.246 238 HG2 LYS 31 HG2 LYS 31 20.546 -7.676 -7.190 239 HG3 LYS 31 HG3 LYS 31 19.852 -6.618 -8.421 240 HD2 LYS 31 HD2 LYS 31 22.785 -6.881 -7.757 241 HD3 LYS 31 HD3 LYS 31 21.977 -7.569 -9.167 242 HE2 LYS 31 HE2 LYS 31 22.343 -4.651 -8.508 243 HE3 LYS 31 HE3 LYS 31 23.087 -5.548 -9.830 244 HZ1 LYS 31 HZ1 LYS 31 21.380 -4.853 -11.047 245 HZ2 LYS 31 HZ2 LYS 31 20.512 -4.315 -9.699 246 HZ3 LYS 31 HZ3 LYS 31 20.410 -5.934 -10.181 247 H ALA 32 H ALA 32 22.869 -5.551 -3.459 248 HA ALA 32 HA ALA 32 20.983 -3.790 -2.188 249 HB1 ALA 32 HB1 ALA 32 22.254 -4.147 -0.183 250 HB2 ALA 32 HB2 ALA 32 22.071 -5.691 -1.017 251 HB3 ALA 32 HB3 ALA 32 23.601 -4.817 -1.104 252 H GLN 33 H GLN 33 22.455 -2.219 -0.535 253 HA GLN 33 HA GLN 33 23.706 -0.338 -2.417 254 HB2 GLN 33 HB2 GLN 33 21.784 -0.019 -0.295 255 HB3 GLN 33 HB3 GLN 33 23.204 0.968 0.025 256 HG2 GLN 33 HG2 GLN 33 21.926 1.024 -2.671 257 HG3 GLN 33 HG3 GLN 33 21.226 1.941 -1.338 258 HE21 GLN 33 HE22 GLN 33 21.949 3.923 -1.055 259 HE22 GLN 33 HE21 GLN 33 23.442 4.557 -1.653 260 H HIS 34 H HIS 34 24.017 -1.656 0.865 261 HA HIS 34 HA HIS 34 26.916 -1.256 0.669 262 HB2 HIS 34 HB2 HIS 34 25.549 0.495 2.114 263 HB3 HIS 34 HB3 HIS 34 25.611 -0.792 3.314 264 HD1 HIS 34 HD1 HIS 34 27.047 1.292 4.479 265 HD2 HIS 34 HD2 HIS 34 28.862 -0.892 1.446 266 HE1 HIS 34 HE1 HIS 34 29.514 1.715 4.728 267 H GLY 35 H GLY 35 28.127 -2.905 1.459 268 HA2 GLY 35 HA2 GLY 35 26.714 -5.024 2.952 269 HA3 GLY 35 HA3 GLY 35 27.736 -5.412 1.576 270 H ALA 36 H ALA 36 27.892 -6.163 4.459 271 HA ALA 36 HA ALA 36 30.691 -5.360 4.855 272 HB1 ALA 36 HB1 ALA 36 29.789 -5.661 7.424 273 HB2 ALA 36 HB2 ALA 36 30.039 -4.122 6.598 274 HB3 ALA 36 HB3 ALA 36 28.435 -4.853 6.634 275 H CYS 37 H CYS 37 31.885 -6.835 6.294 276 HA CYS 37 HA CYS 37 30.795 -9.572 6.196 277 HB2 CYS 37 HB2 CYS 37 32.640 -9.139 4.555 278 HB3 CYS 37 HB3 CYS 37 33.705 -8.803 5.916 279 H HIS 38 H HIS 38 31.335 -10.974 7.901 280 HA HIS 38 HA HIS 38 32.827 -9.941 10.163 281 HB2 HIS 38 HB2 HIS 38 30.502 -9.093 10.486 282 HB3 HIS 38 HB3 HIS 38 29.935 -10.760 10.498 283 HD1 HIS 38 HD1 HIS 38 32.731 -8.959 12.366 284 HD2 HIS 38 HD2 HIS 38 29.496 -11.474 13.057 285 HE1 HIS 38 HE1 HIS 38 32.738 -9.400 14.842 286 H LYS 39 H LYS 39 33.239 -11.571 11.797 287 HA LYS 39 HA LYS 39 33.312 -14.247 10.615 288 HB2 LYS 39 HB2 LYS 39 34.998 -14.743 12.332 289 HB3 LYS 39 HB3 LYS 39 35.441 -13.332 11.379 290 HG2 LYS 39 HG2 LYS 39 35.860 -12.404 13.369 291 HG3 LYS 39 HG3 LYS 39 34.112 -12.168 13.434 292 HD2 LYS 39 HD2 LYS 39 34.438 -13.207 15.445 293 HD3 LYS 39 HD3 LYS 39 34.176 -14.620 14.420 294 HE2 LYS 39 HE2 LYS 39 36.911 -14.039 14.242 295 HE3 LYS 39 HE3 LYS 39 36.497 -13.870 15.947 296 HZ1 LYS 39 HZ1 LYS 39 36.235 -16.057 16.162 297 HZ2 LYS 39 HZ2 LYS 39 37.034 -16.204 14.679 298 HZ3 LYS 39 HZ3 LYS 39 35.343 -16.199 14.731 299 H ARG 40 H ARG 40 32.026 -15.826 11.298 300 HA ARG 40 HA ARG 40 30.981 -15.767 14.028 301 HB2 ARG 40 HB2 ARG 40 29.280 -15.937 11.538 302 HB3 ARG 40 HB3 ARG 40 28.701 -16.368 13.142 303 HG2 ARG 40 HG2 ARG 40 29.921 -13.688 12.791 304 HG3 ARG 40 HG3 ARG 40 28.319 -13.968 12.105 305 HD2 ARG 40 HD2 ARG 40 28.581 -15.003 14.810 306 HD3 ARG 40 HD3 ARG 40 28.883 -13.269 14.716 307 HE ARG 40 HE ARG 40 26.518 -14.068 13.312 308 HH11 ARG 40 HH12 ARG 40 27.822 -13.239 16.432 309 HH12 ARG 40 HH11 ARG 40 26.298 -12.729 17.078 310 HH21 ARG 40 HH22 ARG 40 24.505 -13.398 14.152 311 HH22 ARG 40 HH21 ARG 40 24.412 -12.820 15.781 312 H GLU 41 H GLU 41 29.640 -17.873 14.391 313 HA GLU 41 HA GLU 41 29.751 -20.131 14.664 314 HB2 GLU 41 HB2 GLU 41 30.417 -20.035 11.716 315 HB3 GLU 41 HB3 GLU 41 29.911 -21.470 12.598 316 HG2 GLU 41 HG2 GLU 41 27.977 -20.752 11.539 317 HG3 GLU 41 HG3 GLU 41 27.807 -20.142 13.184 318 H ALA 42 H ALA 42 31.276 -22.146 13.799 319 HA ALA 42 HA ALA 42 33.628 -21.958 15.223 320 HB1 ALA 42 HB1 ALA 42 32.346 -23.908 13.654 321 HB2 ALA 42 HB2 ALA 42 34.008 -23.804 13.071 322 HB3 ALA 42 HB3 ALA 42 33.690 -24.129 14.775 323 H GLY 43 H GLY 43 33.049 -21.243 11.819 324 HA2 GLY 43 HA2 GLY 43 35.269 -19.491 11.658 325 HA3 GLY 43 HA3 GLY 43 35.675 -21.034 10.921 326 H LYS 44 H LYS 44 32.490 -19.535 10.901 327 HA LYS 44 HA LYS 44 32.692 -19.347 7.970 328 HB2 LYS 44 HB2 LYS 44 30.279 -19.694 9.757 329 HB3 LYS 44 HB3 LYS 44 30.188 -19.426 8.021 330 HG2 LYS 44 HG2 LYS 44 30.050 -21.689 8.050 331 HG3 LYS 44 HG3 LYS 44 31.805 -21.519 7.980 332 HD2 LYS 44 HD2 LYS 44 31.767 -22.897 9.761 333 HD3 LYS 44 HD3 LYS 44 31.389 -21.424 10.657 334 HE2 LYS 44 HE2 LYS 44 29.792 -23.023 11.337 335 HE3 LYS 44 HE3 LYS 44 28.951 -21.946 10.223 336 HZ1 LYS 44 HZ1 LYS 44 29.863 -23.841 8.564 337 HZ2 LYS 44 HZ2 LYS 44 28.322 -23.851 9.261 338 HZ3 LYS 44 HZ3 LYS 44 29.571 -24.756 9.956 339 H GLU 45 H GLU 45 32.778 -17.382 7.119 340 HA GLU 45 HA GLU 45 32.203 -15.065 8.770 341 HB2 GLU 45 HB2 GLU 45 33.792 -15.626 6.387 342 HB3 GLU 45 HB3 GLU 45 32.878 -14.130 6.254 343 HG2 GLU 45 HG2 GLU 45 33.996 -13.129 7.998 344 HG3 GLU 45 HG3 GLU 45 34.465 -14.668 8.719 345 H SER 46 H SER 46 30.413 -13.871 8.666 346 HA SER 46 HA SER 46 28.476 -14.479 6.538 347 HB2 SER 46 HB2 SER 46 27.834 -13.052 9.114 348 HB3 SER 46 HB3 SER 46 26.738 -13.913 8.033 349 HG SER 46 HG SER 46 27.066 -15.354 9.600 350 H CYS 47 H CYS 47 27.758 -12.928 5.190 351 HA CYS 47 HA CYS 47 28.826 -10.211 5.582 352 HB2 CYS 47 HB2 CYS 47 28.767 -11.987 3.283 353 HB3 CYS 47 HB3 CYS 47 28.030 -10.430 2.918 354 H PHE 48 H PHE 48 27.359 -8.772 6.177 355 HA PHE 48 HA PHE 48 24.560 -9.185 5.369 356 HB2 PHE 48 HB2 PHE 48 24.106 -7.534 7.276 357 HB3 PHE 48 HB3 PHE 48 24.643 -9.149 7.725 358 HD1 PHE 48 HD1 PHE 48 25.571 -5.614 7.528 359 HD2 PHE 48 HD2 PHE 48 26.803 -9.511 8.717 360 HE1 PHE 48 HE1 PHE 48 27.420 -4.632 8.821 361 HE2 PHE 48 HE2 PHE 48 28.653 -8.535 10.012 362 HZ PHE 48 HZ PHE 48 28.963 -6.092 10.066 363 H CYS 49 H CYS 49 23.549 -7.719 4.132 364 HA CYS 49 HA CYS 49 24.900 -5.148 3.644 365 HB2 CYS 49 HB2 CYS 49 23.314 -6.370 1.444 366 HB3 CYS 49 HB3 CYS 49 24.749 -5.354 1.366 367 H TYR 50 H TYR 50 23.569 -3.366 3.231 368 HA TYR 50 HA TYR 50 20.722 -3.777 3.872 369 HB2 TYR 50 HB2 TYR 50 22.415 -1.370 4.570 370 HB3 TYR 50 HB3 TYR 50 20.725 -1.613 4.994 371 HD1 TYR 50 HD1 TYR 50 20.095 -3.172 6.757 372 HD2 TYR 50 HD2 TYR 50 24.180 -2.536 5.754 373 HE1 TYR 50 HE1 TYR 50 20.773 -4.262 8.855 374 HE2 TYR 50 HE2 TYR 50 24.870 -3.626 7.849 375 HH TYR 50 HH TYR 50 23.998 -5.192 9.484 376 H PHE 51 H PHE 51 19.238 -2.876 2.557 377 HA PHE 51 HA PHE 51 19.998 -0.790 0.683 378 HB2 PHE 51 HB2 PHE 51 20.561 -2.590 -0.716 379 HB3 PHE 51 HB3 PHE 51 19.215 -3.571 -0.146 380 HD1 PHE 51 HD2 PHE 51 19.895 -0.388 -1.959 381 HD2 PHE 51 HD1 PHE 51 17.330 -3.747 -1.454 382 HE1 PHE 51 HE2 PHE 51 18.547 0.357 -3.877 383 HE2 PHE 51 HE1 PHE 51 15.978 -3.008 -3.372 384 HZ PHE 51 HZ PHE 51 16.585 -0.952 -4.586 385 H ASP 52 H ASP 52 18.310 0.495 0.078 386 HA ASP 52 HA ASP 52 15.923 0.342 1.625 387 HB2 ASP 52 HB2 ASP 52 15.229 2.287 0.092 388 HB3 ASP 52 HB3 ASP 52 16.636 2.526 1.126 389 H CYS 53 H CYS 53 14.111 -0.721 1.200 390 HA CYS 53 HA CYS 53 13.639 -1.634 -1.561 391 HB2 CYS 53 HB2 CYS 53 12.266 -3.451 -0.487 392 HB3 CYS 53 HB3 CYS 53 13.992 -3.534 -0.151 393 H SER 54 H SER 54 11.507 -1.604 -2.371 394 HA SER 54 HA SER 54 9.417 -0.764 -2.705 395 HB2 SER 54 HB2 SER 54 9.459 -0.415 0.302 396 HB3 SER 54 HB3 SER 54 8.032 -0.210 -0.714 397 HG SER 54 HG SER 54 7.819 -2.297 -0.801 398 H LYS 55 H LYS 55 10.392 1.277 0.034 399 HA LYS 55 HA LYS 55 10.819 3.538 -1.751 400 HB2 LYS 55 HB2 LYS 55 8.351 3.163 -0.460 401 HB3 LYS 55 HB3 LYS 55 9.182 4.409 0.462 402 HG2 LYS 55 HG2 LYS 55 8.339 5.819 -1.045 403 HG3 LYS 55 HG3 LYS 55 9.619 5.224 -2.105 404 HD2 LYS 55 HD2 LYS 55 7.513 3.365 -2.275 405 HD3 LYS 55 HD3 LYS 55 6.775 4.965 -2.372 406 HE2 LYS 55 HE2 LYS 55 8.759 5.405 -4.048 407 HE3 LYS 55 HE3 LYS 55 8.725 3.649 -4.201 408 HZ1 LYS 55 HZ1 LYS 55 6.927 3.770 -5.468 409 HZ2 LYS 55 HZ2 LYS 55 7.111 5.451 -5.508 410 HZ3 LYS 55 HZ3 LYS 55 6.106 4.737 -4.349 411 H SER 56 H SER 56 10.748 2.311 1.564 412 HA SER 56 HA SER 56 12.098 2.670 3.359 413 HB2 SER 56 HB2 SER 56 13.887 1.967 1.850 414 HB3 SER 56 HB3 SER 56 14.035 3.611 1.228 415 HG SER 56 HG SER 56 14.892 4.266 3.125 416 HA PRO 57 HA PRO 57 10.881 7.127 3.441 417 HB2 PRO 57 HB2 PRO 57 9.486 6.927 5.762 418 HB3 PRO 57 HB3 PRO 57 8.777 6.575 4.181 419 HG2 PRO 57 HG2 PRO 57 9.854 4.685 6.238 420 HG3 PRO 57 HG3 PRO 57 8.378 4.556 5.264 421 HD2 PRO 57 HD2 PRO 57 10.650 3.217 4.650 422 HD3 PRO 57 HD3 PRO 57 9.517 3.794 3.410 423 HA PRO 58 HA PRO 58 13.863 8.533 6.350 424 HB2 PRO 58 HB2 PRO 58 12.657 10.678 7.497 425 HB3 PRO 58 HB3 PRO 58 13.248 10.685 5.831 426 HG2 PRO 58 HG2 PRO 58 10.464 10.274 6.852 427 HG3 PRO 58 HG3 PRO 58 11.018 11.242 5.474 428 HD2 PRO 58 HD2 PRO 58 9.942 8.774 5.183 429 HD3 PRO 58 HD3 PRO 58 11.194 9.404 4.094 430 H GLY 59 H GLY 59 13.473 6.484 7.614 431 HA2 GLY 59 HA2 GLY 59 13.609 6.755 10.275 432 HA3 GLY 59 HA3 GLY 59 11.870 6.772 10.021 433 H ALA 60 H ALA 60 12.106 4.845 11.473 434 HA ALA 60 HA ALA 60 11.899 2.597 11.767 435 HB1 ALA 60 HB1 ALA 60 12.015 1.982 8.875 436 HB2 ALA 60 HB2 ALA 60 10.888 1.424 10.112 437 HB3 ALA 60 HB3 ALA 60 10.708 3.035 9.418 438 H THR 61 H THR 61 12.936 0.396 10.644 439 HA THR 61 HA THR 61 15.811 0.924 10.314 440 HB THR 61 HB THR 61 15.808 -1.471 11.642 441 HG1 THR 61 HG1 THR 61 14.478 -0.823 13.576 442 HG21 THR 61 HG21 THR 61 15.947 1.073 13.210 443 HG22 THR 61 HG22 THR 61 17.125 0.766 11.934 444 HG23 THR 61 HG23 THR 61 16.983 -0.350 13.292 445 HA PRO 62 HA PRO 62 15.750 -1.972 7.016 446 HB2 PRO 62 HB2 PRO 62 18.155 -3.204 7.289 447 HB3 PRO 62 HB3 PRO 62 17.988 -1.537 6.724 448 HG2 PRO 62 HG2 PRO 62 18.676 -2.552 9.455 449 HG3 PRO 62 HG3 PRO 62 19.394 -1.209 8.547 450 HD2 PRO 62 HD2 PRO 62 17.566 -0.829 10.509 451 HD3 PRO 62 HD3 PRO 62 17.687 0.240 9.096 452 H ALA 63 H ALA 63 14.059 -3.356 7.664 453 HA ALA 63 HA ALA 63 14.701 -6.052 7.957 454 HB1 ALA 63 HB1 ALA 63 14.307 -4.586 10.505 455 HB2 ALA 63 HB2 ALA 63 13.578 -6.186 10.360 456 HB3 ALA 63 HB3 ALA 63 15.317 -5.987 10.145 457 HA PRO 64 HA PRO 64 10.489 -6.501 6.814 458 HB2 PRO 64 HB2 PRO 64 9.839 -8.902 7.903 459 HB3 PRO 64 HB3 PRO 64 10.909 -8.739 6.506 460 HG2 PRO 64 HG2 PRO 64 11.607 -9.139 9.390 461 HG3 PRO 64 HG3 PRO 64 12.306 -9.907 7.953 462 HD2 PRO 64 HD2 PRO 64 13.509 -7.848 9.235 463 HD3 PRO 64 HD3 PRO 64 13.649 -8.094 7.483 464 HA PRO 65 HA PRO 65 7.685 -5.226 9.952 465 HB2 PRO 65 HB2 PRO 65 5.368 -6.426 9.203 466 HB3 PRO 65 HB3 PRO 65 6.074 -5.065 8.323 467 HG2 PRO 65 HG2 PRO 65 6.212 -7.992 7.712 468 HG3 PRO 65 HG3 PRO 65 5.940 -6.631 6.609 469 HD2 PRO 65 HD2 PRO 65 8.350 -7.838 6.865 470 HD3 PRO 65 HD3 PRO 65 8.183 -6.110 6.496 471 H GLY 66 H GLY 66 8.980 -6.627 11.498 472 HA2 GLY 66 HA2 GLY 66 7.140 -8.277 12.970 473 HA3 GLY 66 HA3 GLY 66 8.454 -9.195 12.248 474 H ALA 67 H ALA 67 9.039 -5.933 13.238 475 HA ALA 67 HA ALA 67 10.519 -5.071 14.748 476 HB1 ALA 67 HB1 ALA 67 8.815 -5.254 16.324 477 HB2 ALA 67 HB2 ALA 67 8.922 -7.014 16.377 478 HB3 ALA 67 HB3 ALA 67 10.190 -6.031 17.108 479 H ALA 68 H ALA 68 12.427 -5.786 13.724 480 HA ALA 68 HA ALA 68 14.078 -7.447 15.353 481 HB1 ALA 68 HB1 ALA 68 12.835 -9.184 14.131 482 HB2 ALA 68 HB2 ALA 68 13.408 -8.502 12.609 483 HB3 ALA 68 HB3 ALA 68 14.557 -9.199 13.751 484 HA PRO 69 HA PRO 69 16.184 -4.173 12.827 485 HB2 PRO 69 HB2 PRO 69 17.528 -3.095 14.925 486 HB3 PRO 69 HB3 PRO 69 15.886 -2.610 14.485 487 HG2 PRO 69 HG2 PRO 69 16.794 -4.506 16.617 488 HG3 PRO 69 HG3 PRO 69 15.540 -3.254 16.692 489 HD2 PRO 69 HD2 PRO 69 14.961 -5.877 16.349 490 HD3 PRO 69 HD3 PRO 69 13.975 -4.581 15.642 491 HA PRO 70 HA PRO 70 20.053 -6.227 12.443 492 HB2 PRO 70 HB2 PRO 70 21.772 -4.175 11.986 493 HB3 PRO 70 HB3 PRO 70 20.588 -4.721 10.792 494 HG2 PRO 70 HG2 PRO 70 20.444 -2.402 12.679 495 HG3 PRO 70 HG3 PRO 70 19.983 -2.482 10.969 496 HD2 PRO 70 HD2 PRO 70 18.170 -2.626 12.975 497 HD3 PRO 70 HD3 PRO 70 17.957 -3.478 11.432 498 HA PRO 71 HA PRO 71 22.368 -6.282 16.181 499 HB2 PRO 71 HB2 PRO 71 24.873 -6.867 15.314 500 HB3 PRO 71 HB3 PRO 71 23.556 -8.046 15.312 501 HG2 PRO 71 HG2 PRO 71 24.618 -6.389 13.056 502 HG3 PRO 71 HG3 PRO 71 24.151 -8.100 13.065 503 HD2 PRO 71 HD2 PRO 71 22.540 -6.155 12.088 504 HD3 PRO 71 HD3 PRO 71 21.906 -7.618 12.869 505 H ALA 72 H ALA 72 24.064 -4.511 13.596 506 HA ALA 72 HA ALA 72 24.229 -2.097 15.005 507 HB1 ALA 72 HB1 ALA 72 26.217 -4.032 15.763 508 HB2 ALA 72 HB2 ALA 72 26.976 -2.616 15.036 509 HB3 ALA 72 HB3 ALA 72 25.905 -2.427 16.424 510 H ALA 73 H ALA 73 25.643 -4.235 12.608 511 HA ALA 73 HA ALA 73 26.310 -3.889 10.459 512 HB1 ALA 73 HB1 ALA 73 25.353 -2.107 9.212 513 HB2 ALA 73 HB2 ALA 73 24.140 -2.628 10.382 514 HB3 ALA 73 HB3 ALA 73 25.067 -1.156 10.670 515 H GLY 74 H GLY 74 27.911 -2.771 9.170 516 HA2 GLY 74 HA2 GLY 74 29.324 -0.501 9.901 517 HA3 GLY 74 HA3 GLY 74 30.093 -1.842 10.736 518 H GLY 75 H GLY 75 29.502 -0.323 7.666 519 HA2 GLY 75 HA2 GLY 75 30.513 -2.291 5.945 520 HA3 GLY 75 HA3 GLY 75 30.516 -0.563 5.622 521 H SER 76 H SER 76 32.538 -2.534 4.939 522 HA SER 76 HA SER 76 34.795 -2.850 4.997 523 HB2 SER 76 HB2 SER 76 34.342 0.040 5.399 524 HB3 SER 76 HB3 SER 76 35.946 -0.536 5.852 525 HG SER 76 HG SER 76 35.950 -1.565 3.708 526 HA PRO 77 HA PRO 77 34.768 -3.638 9.568 527 HB2 PRO 77 HB2 PRO 77 35.303 -6.291 9.345 528 HB3 PRO 77 HB3 PRO 77 33.663 -5.633 9.283 529 HG2 PRO 77 HG2 PRO 77 35.460 -6.456 7.034 530 HG3 PRO 77 HG3 PRO 77 33.726 -6.758 7.249 531 HD2 PRO 77 HD2 PRO 77 34.675 -4.799 5.639 532 HD3 PRO 77 HD3 PRO 77 33.141 -4.651 6.519 533 H SER 78 H SER 78 36.708 -2.399 9.678 534 HA SER 78 HA SER 78 38.925 -2.103 10.090 535 HB2 SER 78 HB2 SER 78 38.390 -4.861 10.760 536 HB3 SER 78 HB3 SER 78 40.027 -4.691 10.125 537 HG SER 78 HG SER 78 39.484 -4.281 12.516 538 HA PRO 79 HA PRO 79 41.069 -2.225 6.266 539 HB2 PRO 79 HB2 PRO 79 43.667 -2.273 7.051 540 HB3 PRO 79 HB3 PRO 79 42.642 -0.842 7.211 541 HG2 PRO 79 HG2 PRO 79 43.385 -2.882 9.273 542 HG3 PRO 79 HG3 PRO 79 43.305 -1.117 9.423 543 HD2 PRO 79 HD2 PRO 79 41.338 -2.746 10.322 544 HD3 PRO 79 HD3 PRO 79 41.016 -1.117 9.692 545 HA PRO 80 HA PRO 80 42.219 -6.283 5.025 546 HB2 PRO 80 HB2 PRO 80 44.185 -5.824 3.209 547 HB3 PRO 80 HB3 PRO 80 42.483 -5.465 2.894 548 HG2 PRO 80 HG2 PRO 80 44.684 -3.618 3.734 549 HG3 PRO 80 HG3 PRO 80 43.415 -3.368 2.521 550 HD2 PRO 80 HD2 PRO 80 43.273 -2.322 5.015 551 HD3 PRO 80 HD3 PRO 80 41.833 -2.822 4.105 552 H ALA 81 H ALA 81 43.089 -7.097 6.974 553 HA ALA 81 HA ALA 81 45.977 -7.483 6.881 554 HB1 ALA 81 HB1 ALA 81 44.844 -6.807 9.548 555 HB2 ALA 81 HB2 ALA 81 46.486 -6.611 8.935 556 HB3 ALA 81 HB3 ALA 81 45.217 -5.496 8.429 557 H ASP 82 H ASP 82 44.311 -9.406 6.153 558 HA ASP 82 HA ASP 82 44.494 -11.314 8.363 559 HB2 ASP 82 HB2 ASP 82 42.101 -10.262 7.955 560 HB3 ASP 82 HB3 ASP 82 42.055 -11.436 6.643 561 H GLY 83 H GLY 83 44.766 -13.474 7.729 562 HA2 GLY 83 HA2 GLY 83 44.495 -14.886 5.550 563 HA3 GLY 83 HA3 GLY 83 45.706 -13.756 4.964 564 H GLY 84 H GLY 84 45.559 -16.774 5.697 565 HA2 GLY 84 HA2 GLY 84 48.122 -17.423 6.028 566 HA3 GLY 84 HA3 GLY 84 47.696 -16.951 7.666 567 H SER 85 H SER 85 45.723 -18.062 8.572 568 HA SER 85 HA SER 85 44.717 -19.983 9.261 569 HB2 SER 85 HB2 SER 85 45.051 -21.052 6.462 570 HB3 SER 85 HB3 SER 85 43.762 -21.390 7.617 571 HG SER 85 HG SER 85 43.085 -19.217 7.368 572 HA PRO 86 HA PRO 86 48.878 -22.038 9.542 573 HB2 PRO 86 HB2 PRO 86 48.999 -21.955 12.252 574 HB3 PRO 86 HB3 PRO 86 49.553 -20.628 11.225 575 HG2 PRO 86 HG2 PRO 86 46.963 -20.931 12.695 576 HG3 PRO 86 HG3 PRO 86 48.001 -19.502 12.540 577 HD2 PRO 86 HD2 PRO 86 45.764 -19.846 11.054 578 HD3 PRO 86 HD3 PRO 86 47.192 -18.987 10.444 579 HA PRO 87 HA PRO 87 47.380 -26.048 10.546 580 HB2 PRO 87 HB2 PRO 87 49.490 -27.175 11.830 581 HB3 PRO 87 HB3 PRO 87 49.483 -26.855 10.092 582 HG2 PRO 87 HG2 PRO 87 50.715 -25.261 12.306 583 HG3 PRO 87 HG3 PRO 87 51.383 -25.667 10.715 584 HD2 PRO 87 HD2 PRO 87 50.289 -23.252 11.262 585 HD3 PRO 87 HD3 PRO 87 50.202 -23.997 9.653 586 HA PRO 88 HA PRO 88 45.776 -26.356 14.628 587 HB2 PRO 88 HB2 PRO 88 45.797 -29.033 15.082 588 HB3 PRO 88 HB3 PRO 88 44.673 -28.258 13.959 589 HG2 PRO 88 HG2 PRO 88 47.233 -29.699 13.383 590 HG3 PRO 88 HG3 PRO 88 45.681 -29.789 12.530 591 HD2 PRO 88 HD2 PRO 88 47.760 -28.311 11.621 592 HD3 PRO 88 HD3 PRO 88 46.068 -27.841 11.360 593 HA PRO 89 HA PRO 89 48.886 -26.632 17.725 594 HB2 PRO 89 HB2 PRO 89 47.531 -27.643 19.849 595 HB3 PRO 89 HB3 PRO 89 47.296 -25.994 19.256 596 HG2 PRO 89 HG2 PRO 89 45.644 -28.440 18.756 597 HG3 PRO 89 HG3 PRO 89 45.115 -26.788 19.122 598 HD2 PRO 89 HD2 PRO 89 45.117 -27.794 16.608 599 HD3 PRO 89 HD3 PRO 89 45.413 -26.077 16.950 600 H ALA 90 H ALA 90 46.866 -29.574 17.716 601 HA ALA 90 HA ALA 90 48.982 -31.328 17.150 602 HB1 ALA 90 HB1 ALA 90 49.051 -30.460 19.796 603 HB2 ALA 90 HB2 ALA 90 48.342 -32.074 19.862 604 HB3 ALA 90 HB3 ALA 90 49.915 -31.833 19.103 605 H ASP 91 H ASP 91 48.253 -33.668 18.223 606 HA ASP 91 HA ASP 91 45.803 -34.246 16.886 607 HB2 ASP 91 HB2 ASP 91 46.184 -36.540 17.548 608 HB3 ASP 91 HB3 ASP 91 47.716 -35.836 17.037 609 H GLY 92 H GLY 92 43.925 -35.271 17.851 610 HA2 GLY 92 HA2 GLY 92 43.529 -34.830 20.709 611 HA3 GLY 92 HA3 GLY 92 42.498 -33.912 19.622 612 H GLY 93 H GLY 93 41.162 -35.430 21.294 613 HA2 GLY 93 HA2 GLY 93 39.260 -36.806 20.795 614 HA3 GLY 93 HA3 GLY 93 40.233 -37.649 19.598 615 H SER 94 H SER 94 38.679 -38.882 21.640 616 HA SER 94 HA SER 94 38.814 -40.566 23.163 617 HB2 SER 94 HB2 SER 94 41.766 -40.782 22.635 618 HB3 SER 94 HB3 SER 94 40.608 -42.064 22.992 619 HG SER 94 HG SER 94 40.082 -42.164 20.948 620 HA PRO 95 HA PRO 95 37.605 -40.176 24.597 621 HB2 PRO 95 HB2 PRO 95 36.331 -38.249 26.023 622 HB3 PRO 95 HB3 PRO 95 37.012 -39.701 26.765 623 HG2 PRO 95 HG2 PRO 95 38.154 -36.939 26.612 624 HG3 PRO 95 HG3 PRO 95 38.126 -38.063 27.983 625 HD2 PRO 95 HD2 PRO 95 40.318 -37.712 26.432 626 HD3 PRO 95 HD3 PRO 95 39.927 -39.266 27.195 627 HA PRO 96 HA PRO 96 36.469 -37.470 21.319 628 HB2 PRO 96 HB2 PRO 96 33.765 -37.710 21.328 629 HB3 PRO 96 HB3 PRO 96 34.841 -38.997 20.772 630 HG2 PRO 96 HG2 PRO 96 33.473 -38.682 23.416 631 HG3 PRO 96 HG3 PRO 96 33.664 -40.137 22.421 632 HD2 PRO 96 HD2 PRO 96 35.226 -39.629 24.574 633 HD3 PRO 96 HD3 PRO 96 35.820 -40.504 23.148 634 H VAL 97 H VAL 97 37.205 -35.564 22.558 635 HA VAL 97 HA VAL 97 34.950 -33.935 23.534 636 HB VAL 97 HB VAL 97 36.622 -32.613 24.788 637 HG11 VAL 97 HG11 VAL 97 35.626 -35.167 25.382 638 HG12 VAL 97 HG12 VAL 97 37.300 -35.153 25.939 639 HG13 VAL 97 HG13 VAL 97 36.167 -33.931 26.517 640 HG21 VAL 97 HG21 VAL 97 38.885 -33.652 25.109 641 HG22 VAL 97 HG22 VAL 97 38.520 -34.707 23.744 642 HG23 VAL 97 HG23 VAL 97 38.604 -32.961 23.511 643 H ASP 98 H ASP 98 37.589 -34.152 21.302 644 HA ASP 98 HA ASP 98 36.590 -32.105 19.647 645 HB2 ASP 98 HB2 ASP 98 37.905 -31.001 21.756 646 HB3 ASP 98 HB3 ASP 98 39.224 -31.178 20.603 647 H GLY 99 H GLY 99 37.797 -31.865 17.692 648 HA2 GLY 99 HA2 GLY 99 40.249 -33.317 17.307 649 HA3 GLY 99 HA3 GLY 99 38.858 -34.136 16.611 650 H GLY 100 H GLY 100 41.359 -32.305 15.775 651 HA2 GLY 100 HA2 GLY 100 41.548 -31.591 13.476 652 HA3 GLY 100 HA3 GLY 100 39.868 -31.080 13.547 653 H SER 101 H SER 101 39.913 -29.668 15.963 654 HA SER 101 HA SER 101 40.275 -27.563 16.747 655 HB2 SER 101 HB2 SER 101 42.966 -28.523 15.944 656 HB3 SER 101 HB3 SER 101 42.802 -26.790 16.222 657 HG SER 101 HG SER 101 43.218 -28.510 18.048 658 HA PRO 102 HA PRO 102 39.671 -25.868 12.443 659 HB2 PRO 102 HB2 PRO 102 37.141 -24.985 12.878 660 HB3 PRO 102 HB3 PRO 102 37.505 -26.626 12.332 661 HG2 PRO 102 HG2 PRO 102 36.880 -25.642 15.089 662 HG3 PRO 102 HG3 PRO 102 36.298 -27.099 14.263 663 HD2 PRO 102 HD2 PRO 102 38.301 -27.159 16.084 664 HD3 PRO 102 HD3 PRO 102 38.232 -28.274 14.705 665 HA PRO 103 HA PRO 103 38.110 -24.246 11.292 666 HB2 PRO 103 HB2 PRO 103 39.200 -22.358 9.675 667 HB3 PRO 103 HB3 PRO 103 37.765 -22.063 10.665 668 HG2 PRO 103 HG2 PRO 103 40.617 -21.324 11.195 669 HG3 PRO 103 HG3 PRO 103 39.148 -20.361 11.437 670 HD2 PRO 103 HD2 PRO 103 40.404 -21.638 13.467 671 HD3 PRO 103 HD3 PRO 103 38.645 -21.399 13.432 672 HA PRO 104 HA PRO 104 41.358 -26.550 9.429 673 HB2 PRO 104 HB2 PRO 104 40.700 -26.496 6.796 674 HB3 PRO 104 HB3 PRO 104 39.795 -27.430 7.993 675 HG2 PRO 104 HG2 PRO 104 39.172 -24.748 6.818 676 HG3 PRO 104 HG3 PRO 104 38.084 -26.113 7.129 677 HD2 PRO 104 HD2 PRO 104 38.241 -23.970 8.777 678 HD3 PRO 104 HD3 PRO 104 37.883 -25.606 9.368 679 HA PRO 105 HA PRO 105 44.600 -24.046 7.831 680 HB2 PRO 105 HB2 PRO 105 45.855 -25.719 6.100 681 HB3 PRO 105 HB3 PRO 105 45.939 -25.913 7.855 682 HG2 PRO 105 HG2 PRO 105 44.208 -27.339 5.872 683 HG3 PRO 105 HG3 PRO 105 45.100 -27.998 7.256 684 HD2 PRO 105 HD2 PRO 105 42.441 -27.495 7.342 685 HD3 PRO 105 HD3 PRO 105 43.488 -27.341 8.767 686 H SER 106 H SER 106 45.639 -23.240 5.773 687 HA SER 106 HA SER 106 43.736 -22.081 4.101 688 HB2 SER 106 HB2 SER 106 45.759 -20.937 4.132 689 HB3 SER 106 HB3 SER 106 46.712 -22.409 3.947 690 HG SER 106 HG SER 106 46.627 -21.107 2.033 691 H THR 107 H THR 107 45.807 -24.908 3.563 692 HA THR 107 HA THR 107 45.706 -26.618 2.064 693 HB THR 107 HB THR 107 42.832 -25.969 1.496 694 HG1 THR 107 HG1 THR 107 42.496 -26.024 3.586 695 HG21 THR 107 HG21 THR 107 43.004 -27.959 0.498 696 HG22 THR 107 HG22 THR 107 43.194 -28.669 2.101 697 HG23 THR 107 HG23 THR 107 44.617 -28.218 1.162 698 H HIS 108 H HIS 108 47.081 -25.349 0.651 699 HA HIS 108 HA HIS 108 47.671 -24.404 -1.337 700 HB2 HIS 108 HB2 HIS 108 45.797 -26.501 -1.862 701 HB3 HIS 108 HB3 HIS 108 45.537 -25.208 -3.029 702 HD1 HIS 108 HD1 HIS 108 48.237 -24.299 -3.794 703 HD2 HIS 108 HD2 HIS 108 47.423 -28.301 -3.032 704 HE1 HIS 108 HE1 HIS 108 50.036 -25.590 -4.985 Start of MODEL 8 1 H1 ALA 1 H ALA 1 1.661 -2.408 4.565 2 HA ALA 1 HA ALA 1 1.989 -2.400 1.703 3 HB1 ALA 1 HB1 ALA 1 2.989 -0.008 1.848 4 HB2 ALA 1 HB2 ALA 1 1.244 -0.213 1.688 5 HB3 ALA 1 HB3 ALA 1 1.950 0.148 3.264 6 H GLY 2 H GLY 2 3.681 -0.771 4.390 7 HA2 GLY 2 HA2 GLY 2 5.586 -1.886 5.457 8 HA3 GLY 2 HA3 GLY 2 5.972 -2.566 3.884 9 H SER 3 H SER 3 7.354 -1.503 2.595 10 HA SER 3 HA SER 3 8.813 0.074 1.847 11 HB2 SER 3 HB2 SER 3 7.183 2.151 3.308 12 HB3 SER 3 HB3 SER 3 8.159 2.356 1.854 13 HG SER 3 HG SER 3 6.032 0.535 1.810 14 H LYS 4 H LYS 4 10.756 -0.098 2.742 15 HA LYS 4 HA LYS 4 11.687 1.572 4.758 16 HB2 LYS 4 HB2 LYS 4 10.174 -0.462 5.872 17 HB3 LYS 4 HB3 LYS 4 11.823 -1.049 6.037 18 HG2 LYS 4 HG2 LYS 4 12.458 0.940 7.241 19 HG3 LYS 4 HG3 LYS 4 10.860 1.644 6.981 20 HD2 LYS 4 HD2 LYS 4 11.018 -1.018 8.296 21 HD3 LYS 4 HD3 LYS 4 11.495 0.399 9.234 22 HE2 LYS 4 HE2 LYS 4 9.306 0.544 9.712 23 HE3 LYS 4 HE3 LYS 4 9.179 1.262 8.107 24 HZ1 LYS 4 HZ1 LYS 4 8.934 -1.654 8.551 25 HZ2 LYS 4 HZ2 LYS 4 8.469 -0.760 7.193 26 HZ3 LYS 4 HZ3 LYS 4 7.600 -0.616 8.637 27 H LEU 5 H LEU 5 13.676 0.013 5.935 28 HA LEU 5 HA LEU 5 15.423 -0.376 3.657 29 HB2 LEU 5 HB2 LEU 5 15.925 -0.508 6.625 30 HB3 LEU 5 HB3 LEU 5 17.171 -0.705 5.394 31 HG LEU 5 HG LEU 5 15.760 1.761 4.973 32 HD11 LEU 5 HD11 LEU 5 15.553 1.253 7.564 33 HD12 LEU 5 HD12 LEU 5 15.896 2.871 6.953 34 HD13 LEU 5 HD13 LEU 5 17.209 1.861 7.559 35 HD21 LEU 5 HD21 LEU 5 17.917 1.429 4.062 36 HD22 LEU 5 HD22 LEU 5 18.590 0.976 5.629 37 HD23 LEU 5 HD23 LEU 5 18.100 2.644 5.327 38 H CYS 6 H CYS 6 16.606 -2.277 3.233 39 HA CYS 6 HA CYS 6 15.438 -4.722 4.393 40 HB2 CYS 6 HB2 CYS 6 16.025 -3.973 1.570 41 HB3 CYS 6 HB3 CYS 6 16.281 -5.651 2.040 42 H GLU 7 H GLU 7 16.806 -6.185 5.223 43 HA GLU 7 HA GLU 7 19.689 -5.715 4.839 44 HB2 GLU 7 HB2 GLU 7 20.084 -6.500 7.048 45 HB3 GLU 7 HB3 GLU 7 18.754 -5.355 7.154 46 HG2 GLU 7 HG2 GLU 7 17.841 -6.972 8.416 47 HG3 GLU 7 HG3 GLU 7 17.358 -7.616 6.848 48 H LYS 8 H LYS 8 20.982 -7.372 4.225 49 HA LYS 8 HA LYS 8 19.710 -10.005 3.853 50 HB2 LYS 8 HB2 LYS 8 21.724 -8.645 2.053 51 HB3 LYS 8 HB3 LYS 8 21.121 -10.284 1.839 52 HG2 LYS 8 HG2 LYS 8 19.692 -9.272 0.431 53 HG3 LYS 8 HG3 LYS 8 18.792 -8.951 1.916 54 HD2 LYS 8 HD2 LYS 8 20.127 -6.784 2.060 55 HD3 LYS 8 HD3 LYS 8 20.608 -7.100 0.392 56 HE2 LYS 8 HE2 LYS 8 17.716 -7.216 1.088 57 HE3 LYS 8 HE3 LYS 8 18.487 -5.636 0.966 58 HZ1 LYS 8 HZ1 LYS 8 19.079 -6.050 -1.271 59 HZ2 LYS 8 HZ2 LYS 8 17.450 -6.481 -1.126 60 HZ3 LYS 8 HZ3 LYS 8 18.641 -7.681 -1.174 61 H THR 9 H THR 9 20.607 -11.499 5.094 62 HA THR 9 HA THR 9 23.293 -11.101 6.148 63 HB THR 9 HB THR 9 21.745 -13.544 6.834 64 HG1 THR 9 HG1 THR 9 20.074 -12.108 6.987 65 HG21 THR 9 HG21 THR 9 23.230 -13.566 8.493 66 HG22 THR 9 HG22 THR 9 22.653 -11.997 9.055 67 HG23 THR 9 HG23 THR 9 23.945 -12.085 7.858 68 H SER 10 H SER 10 23.417 -11.551 3.466 69 HA SER 10 HA SER 10 24.433 -12.831 1.884 70 HB2 SER 10 HB2 SER 10 26.224 -12.953 3.580 71 HB3 SER 10 HB3 SER 10 25.461 -14.384 4.273 72 HG SER 10 HG SER 10 26.888 -15.244 2.909 73 H LYS 11 H LYS 11 22.998 -13.896 0.679 74 HA LYS 11 HA LYS 11 22.091 -16.529 1.627 75 HB2 LYS 11 HB2 LYS 11 19.965 -15.953 0.213 76 HB3 LYS 11 HB3 LYS 11 20.106 -15.373 1.867 77 HG2 LYS 11 HG2 LYS 11 21.136 -13.606 -0.271 78 HG3 LYS 11 HG3 LYS 11 19.386 -13.803 -0.151 79 HD2 LYS 11 HD2 LYS 11 20.182 -13.435 2.470 80 HD3 LYS 11 HD3 LYS 11 21.220 -12.333 1.562 81 HE2 LYS 11 HE2 LYS 11 19.152 -11.237 2.264 82 HE3 LYS 11 HE3 LYS 11 19.262 -11.338 0.508 83 HZ1 LYS 11 HZ1 LYS 11 17.961 -13.633 1.397 84 HZ2 LYS 11 HZ2 LYS 11 17.311 -12.352 0.504 85 HZ3 LYS 11 HZ3 LYS 11 17.242 -12.325 2.194 86 H THR 12 H THR 12 24.308 -15.856 -0.087 87 HA THR 12 HA THR 12 24.045 -17.761 -2.080 88 HB THR 12 HB THR 12 22.510 -16.495 -3.321 89 HG1 THR 12 HG1 THR 12 23.626 -16.264 -5.167 90 HG21 THR 12 HG21 THR 12 22.822 -14.096 -3.834 91 HG22 THR 12 HG22 THR 12 24.248 -14.082 -2.796 92 HG23 THR 12 HG23 THR 12 22.658 -14.402 -2.105 93 H TYR 13 H TYR 13 25.560 -14.906 -0.847 94 HA TYR 13 HA TYR 13 27.779 -14.537 -2.374 95 HB2 TYR 13 HB2 TYR 13 27.296 -13.217 -0.368 96 HB3 TYR 13 HB3 TYR 13 27.690 -14.598 0.650 97 HD1 TYR 13 HD1 TYR 13 29.191 -12.384 -1.951 98 HD2 TYR 13 HD2 TYR 13 29.853 -14.836 1.463 99 HE1 TYR 13 HE1 TYR 13 31.542 -11.664 -1.897 100 HE2 TYR 13 HE2 TYR 13 32.205 -14.121 1.527 101 HH TYR 13 HH TYR 13 33.388 -11.566 0.225 102 H SER 14 H SER 14 28.125 -16.445 0.598 103 HA SER 14 HA SER 14 29.515 -18.180 1.112 104 HB2 SER 14 HB2 SER 14 28.852 -19.222 -1.644 105 HB3 SER 14 HB3 SER 14 29.217 -20.152 -0.190 106 HG SER 14 HG SER 14 27.072 -20.211 -0.212 107 H GLY 15 H GLY 15 31.220 -19.782 -0.282 108 HA2 GLY 15 HA2 GLY 15 33.379 -19.832 -1.060 109 HA3 GLY 15 HA3 GLY 15 32.845 -18.620 -2.216 110 H LYS 16 H LYS 16 34.558 -19.219 0.722 111 HA LYS 16 HA LYS 16 35.740 -17.867 2.145 112 HB2 LYS 16 HB2 LYS 16 37.445 -16.642 1.069 113 HB3 LYS 16 HB3 LYS 16 37.052 -17.948 -0.040 114 HG2 LYS 16 HG2 LYS 16 35.532 -15.477 -0.467 115 HG3 LYS 16 HG3 LYS 16 37.271 -15.342 -0.739 116 HD2 LYS 16 HD2 LYS 16 36.310 -17.773 -1.907 117 HD3 LYS 16 HD3 LYS 16 35.319 -16.422 -2.465 118 HE2 LYS 16 HE2 LYS 16 37.406 -15.216 -3.065 119 HE3 LYS 16 HE3 LYS 16 38.322 -16.656 -2.625 120 HZ1 LYS 16 HZ1 LYS 16 37.281 -16.102 -5.083 121 HZ2 LYS 16 HZ2 LYS 16 36.198 -17.235 -4.448 122 HZ3 LYS 16 HZ3 LYS 16 37.844 -17.609 -4.560 123 H CYS 17 H CYS 17 36.447 -15.171 2.005 124 HA CYS 17 HA CYS 17 34.071 -13.569 1.698 125 HB2 CYS 17 HB2 CYS 17 34.208 -14.851 4.075 126 HB3 CYS 17 HB3 CYS 17 35.135 -13.403 4.457 127 H ASP 18 H ASP 18 34.471 -11.293 2.056 128 HA ASP 18 HA ASP 18 37.106 -10.354 2.651 129 HB2 ASP 18 HB2 ASP 18 36.826 -11.224 0.069 130 HB3 ASP 18 HB3 ASP 18 36.428 -9.514 -0.084 131 H ASN 19 H ASN 19 37.067 -7.901 1.419 132 HA ASN 19 HA ASN 19 34.799 -6.641 2.769 133 HB2 ASN 19 HB2 ASN 19 36.264 -4.530 2.164 134 HB3 ASN 19 HB3 ASN 19 36.694 -5.564 3.524 135 HD21 ASN 19 HD22 ASN 19 38.486 -6.889 3.383 136 HD22 ASN 19 HD21 ASN 19 39.676 -6.710 2.143 137 H LYS 20 H LYS 20 36.656 -5.915 -0.189 138 HA LYS 20 HA LYS 20 34.513 -4.513 -1.406 139 HB2 LYS 20 HB2 LYS 20 37.110 -4.475 -1.862 140 HB3 LYS 20 HB3 LYS 20 36.711 -5.729 -3.029 141 HG2 LYS 20 HG2 LYS 20 34.887 -3.548 -3.324 142 HG3 LYS 20 HG3 LYS 20 36.545 -2.943 -3.350 143 HD2 LYS 20 HD2 LYS 20 37.062 -4.047 -5.276 144 HD3 LYS 20 HD3 LYS 20 35.959 -5.383 -4.934 145 HE2 LYS 20 HE2 LYS 20 34.308 -4.436 -6.098 146 HE3 LYS 20 HE3 LYS 20 34.554 -2.874 -5.318 147 HZ1 LYS 20 HZ1 LYS 20 35.752 -2.124 -7.031 148 HZ2 LYS 20 HZ2 LYS 20 35.056 -3.391 -7.909 149 HZ3 LYS 20 HZ3 LYS 20 36.595 -3.577 -7.231 150 H LYS 21 H LYS 21 35.670 -7.829 -1.605 151 HA LYS 21 HA LYS 21 34.169 -8.666 -3.820 152 HB2 LYS 21 HB2 LYS 21 35.138 -10.208 -1.409 153 HB3 LYS 21 HB3 LYS 21 34.429 -10.959 -2.833 154 HG2 LYS 21 HG2 LYS 21 36.965 -9.338 -2.739 155 HG3 LYS 21 HG3 LYS 21 36.835 -11.087 -2.935 156 HD2 LYS 21 HD2 LYS 21 36.947 -10.627 -5.132 157 HD3 LYS 21 HD3 LYS 21 35.244 -10.200 -4.956 158 HE2 LYS 21 HE2 LYS 21 36.584 -7.908 -4.182 159 HE3 LYS 21 HE3 LYS 21 37.541 -8.515 -5.533 160 HZ1 LYS 21 HZ1 LYS 21 36.005 -7.305 -6.657 161 HZ2 LYS 21 HZ2 LYS 21 34.791 -7.524 -5.500 162 HZ3 LYS 21 HZ3 LYS 21 35.158 -8.768 -6.586 163 H CYS 22 H CYS 22 33.382 -8.594 -0.370 164 HA CYS 22 HA CYS 22 30.845 -9.846 -0.644 165 HB2 CYS 22 HB2 CYS 22 32.475 -8.923 1.478 166 HB3 CYS 22 HB3 CYS 22 30.924 -8.106 1.638 167 H ASP 23 H ASP 23 31.722 -6.445 -0.018 168 HA ASP 23 HA ASP 23 29.186 -5.349 -0.202 169 HB2 ASP 23 HB2 ASP 23 31.482 -4.267 0.415 170 HB3 ASP 23 HB3 ASP 23 31.557 -3.876 -1.301 171 H LYS 24 H LYS 24 31.559 -5.881 -2.787 172 HA LYS 24 HA LYS 24 30.007 -4.766 -4.864 173 HB2 LYS 24 HB2 LYS 24 32.358 -5.051 -5.205 174 HB3 LYS 24 HB3 LYS 24 32.257 -6.777 -4.880 175 HG2 LYS 24 HG2 LYS 24 30.964 -7.092 -6.926 176 HG3 LYS 24 HG3 LYS 24 31.056 -5.359 -7.251 177 HD2 LYS 24 HD2 LYS 24 33.120 -5.531 -8.091 178 HD3 LYS 24 HD3 LYS 24 33.666 -6.542 -6.751 179 HE2 LYS 24 HE2 LYS 24 33.209 -8.481 -7.851 180 HE3 LYS 24 HE3 LYS 24 31.854 -7.786 -8.739 181 HZ1 LYS 24 HZ1 LYS 24 34.731 -7.309 -9.303 182 HZ2 LYS 24 HZ2 LYS 24 33.442 -6.608 -10.144 183 HZ3 LYS 24 HZ3 LYS 24 33.688 -8.280 -10.215 184 H LYS 25 H LYS 25 30.459 -8.131 -3.806 185 HA LYS 25 HA LYS 25 28.784 -9.322 -5.713 186 HB2 LYS 25 HB2 LYS 25 30.409 -10.508 -4.209 187 HB3 LYS 25 HB3 LYS 25 29.262 -10.295 -2.892 188 HG2 LYS 25 HG2 LYS 25 27.986 -11.991 -3.578 189 HG3 LYS 25 HG3 LYS 25 28.084 -11.503 -5.271 190 HD2 LYS 25 HD2 LYS 25 30.403 -12.799 -3.872 191 HD3 LYS 25 HD3 LYS 25 29.115 -13.757 -4.606 192 HE2 LYS 25 HE2 LYS 25 29.546 -12.697 -6.760 193 HE3 LYS 25 HE3 LYS 25 30.808 -11.706 -6.031 194 HZ1 LYS 25 HZ1 LYS 25 31.683 -14.093 -5.349 195 HZ2 LYS 25 HZ2 LYS 25 32.085 -13.375 -6.827 196 HZ3 LYS 25 HZ3 LYS 25 30.851 -14.529 -6.756 197 H CYS 26 H CYS 26 28.065 -7.495 -2.886 198 HA CYS 26 HA CYS 26 25.431 -8.508 -2.449 199 HB2 CYS 26 HB2 CYS 26 27.021 -6.186 -1.449 200 HB3 CYS 26 HB3 CYS 26 25.274 -6.163 -1.230 201 H ILE 27 H ILE 27 26.682 -5.522 -3.932 202 HA ILE 27 HA ILE 27 24.080 -4.717 -4.843 203 HB ILE 27 HB ILE 27 26.729 -3.622 -5.777 204 HG12 ILE 27 HG12 ILE 27 25.497 -1.997 -3.766 205 HG13 ILE 27 HG13 ILE 27 25.686 -3.630 -3.137 206 HG21 ILE 27 HG21 ILE 27 25.270 -2.548 -7.121 207 HG22 ILE 27 HG22 ILE 27 23.901 -2.842 -6.049 208 HG23 ILE 27 HG23 ILE 27 25.032 -1.536 -5.697 209 HD11 ILE 27 HD11 ILE 27 27.678 -2.706 -2.529 210 HD12 ILE 27 HD12 ILE 27 28.110 -3.370 -4.105 211 HD13 ILE 27 HD13 ILE 27 27.748 -1.652 -3.941 212 H GLU 28 H GLU 28 26.514 -6.795 -6.008 213 HA GLU 28 HA GLU 28 25.859 -6.499 -8.805 214 HB2 GLU 28 HB2 GLU 28 27.695 -8.275 -7.236 215 HB3 GLU 28 HB3 GLU 28 27.306 -8.670 -8.905 216 HG2 GLU 28 HG2 GLU 28 28.065 -5.894 -8.604 217 HG3 GLU 28 HG3 GLU 28 29.316 -6.991 -8.021 218 H TRP 29 H TRP 29 25.281 -8.879 -6.245 219 HA TRP 29 HA TRP 29 23.421 -10.293 -8.026 220 HB2 TRP 29 HB2 TRP 29 24.838 -11.116 -5.495 221 HB3 TRP 29 HB3 TRP 29 23.501 -12.047 -6.164 222 HD1 TRP 29 HD1 TRP 29 26.140 -10.447 -8.436 223 HE1 TRP 29 HE1 TRP 29 27.463 -12.323 -9.600 224 HE3 TRP 29 HE3 TRP 29 24.218 -14.470 -5.933 225 HZ2 TRP 29 HZ2 TRP 29 27.665 -15.136 -9.474 226 HZ3 TRP 29 HZ3 TRP 29 25.029 -16.718 -6.515 227 HH2 TRP 29 HH2 TRP 29 26.717 -17.043 -8.249 228 H GLU 30 H GLU 30 23.656 -9.078 -4.686 229 HA GLU 30 HA GLU 30 20.803 -9.341 -4.301 230 HB2 GLU 30 HB2 GLU 30 22.565 -7.832 -2.414 231 HB3 GLU 30 HB3 GLU 30 21.182 -8.861 -2.067 232 HG2 GLU 30 HG2 GLU 30 22.549 -10.827 -2.708 233 HG3 GLU 30 HG3 GLU 30 23.935 -9.752 -2.887 234 H LYS 31 H LYS 31 22.701 -7.146 -5.858 235 HA LYS 31 HA LYS 31 22.523 -4.936 -6.426 236 HB2 LYS 31 HB2 LYS 31 19.560 -5.468 -6.207 237 HB3 LYS 31 HB3 LYS 31 20.365 -4.308 -7.256 238 HG2 LYS 31 HG2 LYS 31 20.395 -7.306 -7.469 239 HG3 LYS 31 HG3 LYS 31 19.693 -6.145 -8.598 240 HD2 LYS 31 HD2 LYS 31 22.625 -6.501 -7.980 241 HD3 LYS 31 HD3 LYS 31 21.799 -6.987 -9.462 242 HE2 LYS 31 HE2 LYS 31 21.120 -4.473 -9.573 243 HE3 LYS 31 HE3 LYS 31 22.483 -4.248 -8.478 244 HZ1 LYS 31 HZ1 LYS 31 23.013 -5.882 -10.814 245 HZ2 LYS 31 HZ2 LYS 31 23.962 -4.683 -10.092 246 HZ3 LYS 31 HZ3 LYS 31 22.700 -4.250 -11.132 247 H ALA 32 H ALA 32 22.770 -5.396 -3.601 248 HA ALA 32 HA ALA 32 20.954 -3.637 -2.233 249 HB1 ALA 32 HB1 ALA 32 23.585 -4.636 -1.176 250 HB2 ALA 32 HB2 ALA 32 22.151 -4.154 -0.269 251 HB3 ALA 32 HB3 ALA 32 22.134 -5.638 -1.220 252 H GLN 33 H GLN 33 22.496 -2.151 -0.563 253 HA GLN 33 HA GLN 33 23.741 -0.233 -2.412 254 HB2 GLN 33 HB2 GLN 33 21.838 0.064 -0.296 255 HB3 GLN 33 HB3 GLN 33 23.293 0.958 0.122 256 HG2 GLN 33 HG2 GLN 33 22.869 1.608 -2.525 257 HG3 GLN 33 HG3 GLN 33 21.246 1.547 -1.840 258 HE21 GLN 33 HE22 GLN 33 23.752 3.531 -2.461 259 HE22 GLN 33 HE21 GLN 33 23.487 4.742 -1.257 260 H HIS 34 H HIS 34 24.085 -1.612 0.846 261 HA HIS 34 HA HIS 34 26.991 -1.318 0.583 262 HB2 HIS 34 HB2 HIS 34 25.654 0.457 2.091 263 HB3 HIS 34 HB3 HIS 34 25.851 -0.826 3.281 264 HD1 HIS 34 HD1 HIS 34 27.899 1.469 1.092 265 HD2 HIS 34 HD2 HIS 34 28.358 -1.020 4.386 266 HE1 HIS 34 HE1 HIS 34 30.220 1.913 1.951 267 H GLY 35 H GLY 35 28.181 -2.964 1.459 268 HA2 GLY 35 HA2 GLY 35 26.766 -4.992 3.047 269 HA3 GLY 35 HA3 GLY 35 27.575 -5.486 1.568 270 H ALA 36 H ALA 36 28.076 -6.314 4.330 271 HA ALA 36 HA ALA 36 30.948 -5.787 4.347 272 HB1 ALA 36 HB1 ALA 36 29.068 -4.803 6.355 273 HB2 ALA 36 HB2 ALA 36 30.418 -5.718 7.029 274 HB3 ALA 36 HB3 ALA 36 30.727 -4.310 6.012 275 H CYS 37 H CYS 37 32.131 -7.290 5.770 276 HA CYS 37 HA CYS 37 30.680 -9.835 6.103 277 HB2 CYS 37 HB2 CYS 37 32.280 -9.897 4.218 278 HB3 CYS 37 HB3 CYS 37 33.580 -9.467 5.325 279 H HIS 38 H HIS 38 31.206 -11.120 7.885 280 HA HIS 38 HA HIS 38 33.144 -10.152 9.816 281 HB2 HIS 38 HB2 HIS 38 31.146 -8.868 10.405 282 HB3 HIS 38 HB3 HIS 38 30.201 -10.352 10.492 283 HD1 HIS 38 HD1 HIS 38 33.472 -9.229 12.105 284 HD2 HIS 38 HD2 HIS 38 29.839 -10.992 13.081 285 HE1 HIS 38 HE1 HIS 38 33.585 -9.677 14.577 286 H LYS 39 H LYS 39 33.653 -11.688 11.447 287 HA LYS 39 HA LYS 39 33.146 -14.424 10.597 288 HB2 LYS 39 HB2 LYS 39 35.450 -13.724 11.100 289 HB3 LYS 39 HB3 LYS 39 34.975 -13.341 12.749 290 HG2 LYS 39 HG2 LYS 39 34.303 -16.065 11.963 291 HG3 LYS 39 HG3 LYS 39 36.032 -15.717 11.894 292 HD2 LYS 39 HD2 LYS 39 35.739 -14.719 14.231 293 HD3 LYS 39 HD3 LYS 39 34.173 -15.533 14.248 294 HE2 LYS 39 HE2 LYS 39 35.335 -17.672 13.785 295 HE3 LYS 39 HE3 LYS 39 36.876 -16.825 13.899 296 HZ1 LYS 39 HZ1 LYS 39 34.869 -17.107 16.070 297 HZ2 LYS 39 HZ2 LYS 39 36.307 -16.226 16.189 298 HZ3 LYS 39 HZ3 LYS 39 36.359 -17.903 15.976 299 H ARG 40 H ARG 40 31.671 -15.688 11.508 300 HA ARG 40 HA ARG 40 30.946 -15.271 14.313 301 HB2 ARG 40 HB2 ARG 40 29.240 -14.730 12.017 302 HB3 ARG 40 HB3 ARG 40 28.525 -15.911 13.107 303 HG2 ARG 40 HG2 ARG 40 29.671 -13.532 14.401 304 HG3 ARG 40 HG3 ARG 40 28.263 -13.244 13.376 305 HD2 ARG 40 HD2 ARG 40 27.005 -14.926 14.612 306 HD3 ARG 40 HD3 ARG 40 28.417 -15.261 15.614 307 HE ARG 40 HE ARG 40 27.689 -12.513 15.719 308 HH11 ARG 40 HH12 ARG 40 26.839 -15.666 16.925 309 HH12 ARG 40 HH11 ARG 40 26.126 -15.060 18.383 310 HH21 ARG 40 HH22 ARG 40 26.753 -11.702 17.634 311 HH22 ARG 40 HH21 ARG 40 26.076 -12.805 18.785 312 H GLU 41 H GLU 41 29.305 -17.105 14.947 313 HA GLU 41 HA GLU 41 29.040 -19.325 15.371 314 HB2 GLU 41 HB2 GLU 41 29.785 -19.804 12.490 315 HB3 GLU 41 HB3 GLU 41 28.740 -20.779 13.515 316 HG2 GLU 41 HG2 GLU 41 28.141 -18.015 12.486 317 HG3 GLU 41 HG3 GLU 41 27.445 -19.524 11.899 318 H ALA 42 H ALA 42 30.263 -21.609 14.553 319 HA ALA 42 HA ALA 42 32.596 -21.711 16.019 320 HB1 ALA 42 HB1 ALA 42 33.027 -23.766 14.367 321 HB2 ALA 42 HB2 ALA 42 31.829 -23.811 15.661 322 HB3 ALA 42 HB3 ALA 42 31.327 -23.465 14.006 323 H GLY 43 H GLY 43 32.150 -20.880 12.642 324 HA2 GLY 43 HA2 GLY 43 34.524 -19.443 12.416 325 HA3 GLY 43 HA3 GLY 43 34.863 -21.073 11.851 326 H LYS 44 H LYS 44 31.779 -19.429 11.482 327 HA LYS 44 HA LYS 44 32.184 -19.496 8.568 328 HB2 LYS 44 HB2 LYS 44 29.648 -19.599 10.207 329 HB3 LYS 44 HB3 LYS 44 29.678 -19.457 8.454 330 HG2 LYS 44 HG2 LYS 44 29.515 -21.690 8.520 331 HG3 LYS 44 HG3 LYS 44 31.256 -21.621 8.799 332 HD2 LYS 44 HD2 LYS 44 30.813 -21.627 11.241 333 HD3 LYS 44 HD3 LYS 44 29.094 -21.831 10.895 334 HE2 LYS 44 HE2 LYS 44 30.882 -23.747 9.560 335 HE3 LYS 44 HE3 LYS 44 30.831 -23.870 11.317 336 HZ1 LYS 44 HZ1 LYS 44 29.083 -25.192 10.808 337 HZ2 LYS 44 HZ2 LYS 44 28.736 -24.398 9.356 338 HZ3 LYS 44 HZ3 LYS 44 28.253 -23.718 10.827 339 H GLU 45 H GLU 45 32.278 -17.636 7.491 340 HA GLU 45 HA GLU 45 31.801 -15.153 8.927 341 HB2 GLU 45 HB2 GLU 45 33.382 -15.990 6.610 342 HB3 GLU 45 HB3 GLU 45 32.564 -14.452 6.374 343 HG2 GLU 45 HG2 GLU 45 34.552 -13.766 7.270 344 HG3 GLU 45 HG3 GLU 45 33.552 -13.886 8.717 345 H SER 46 H SER 46 30.060 -13.910 8.687 346 HA SER 46 HA SER 46 28.153 -14.604 6.557 347 HB2 SER 46 HB2 SER 46 27.331 -12.909 8.868 348 HB3 SER 46 HB3 SER 46 26.414 -14.129 7.984 349 HG SER 46 HG SER 46 28.545 -14.671 9.781 350 H CYS 47 H CYS 47 27.165 -12.981 5.338 351 HA CYS 47 HA CYS 47 28.574 -10.394 5.384 352 HB2 CYS 47 HB2 CYS 47 28.617 -12.102 3.334 353 HB3 CYS 47 HB3 CYS 47 27.106 -11.284 2.951 354 H PHE 48 H PHE 48 27.392 -8.762 6.100 355 HA PHE 48 HA PHE 48 24.468 -8.897 5.807 356 HB2 PHE 48 HB2 PHE 48 24.526 -7.104 7.636 357 HB3 PHE 48 HB3 PHE 48 24.971 -8.741 8.107 358 HD1 PHE 48 HD1 PHE 48 27.332 -9.314 8.510 359 HD2 PHE 48 HD2 PHE 48 26.090 -5.319 7.725 360 HE1 PHE 48 HE1 PHE 48 29.470 -8.479 9.395 361 HE2 PHE 48 HE2 PHE 48 28.227 -4.478 8.609 362 HZ PHE 48 HZ PHE 48 29.921 -6.058 9.445 363 H CYS 49 H CYS 49 23.545 -7.581 4.392 364 HA CYS 49 HA CYS 49 24.916 -5.068 3.696 365 HB2 CYS 49 HB2 CYS 49 23.270 -6.599 1.700 366 HB3 CYS 49 HB3 CYS 49 24.482 -5.356 1.408 367 H TYR 50 H TYR 50 23.602 -3.290 3.226 368 HA TYR 50 HA TYR 50 20.760 -3.616 3.935 369 HB2 TYR 50 HB2 TYR 50 22.492 -1.216 4.553 370 HB3 TYR 50 HB3 TYR 50 20.814 -1.451 5.029 371 HD1 TYR 50 HD2 TYR 50 20.235 -2.984 6.834 372 HD2 TYR 50 HD1 TYR 50 24.291 -2.355 5.711 373 HE1 TYR 50 HE2 TYR 50 20.973 -4.033 8.933 374 HE2 TYR 50 HE1 TYR 50 25.040 -3.403 7.806 375 HH TYR 50 HH TYR 50 22.713 -4.491 10.250 376 H PHE 51 H PHE 51 19.287 -2.713 2.609 377 HA PHE 51 HA PHE 51 20.068 -0.676 0.694 378 HB2 PHE 51 HB2 PHE 51 20.618 -2.514 -0.667 379 HB3 PHE 51 HB3 PHE 51 19.249 -3.462 -0.093 380 HD1 PHE 51 HD1 PHE 51 20.072 -0.392 -2.022 381 HD2 PHE 51 HD2 PHE 51 17.301 -3.550 -1.338 382 HE1 PHE 51 HE1 PHE 51 18.753 0.349 -3.963 383 HE2 PHE 51 HE2 PHE 51 15.978 -2.814 -3.277 384 HZ PHE 51 HZ PHE 51 16.704 -0.863 -4.593 385 H ASP 52 H ASP 52 18.402 0.633 0.110 386 HA ASP 52 HA ASP 52 16.019 0.537 1.649 387 HB2 ASP 52 HB2 ASP 52 15.335 2.424 0.014 388 HB3 ASP 52 HB3 ASP 52 16.703 2.701 1.088 389 H CYS 53 H CYS 53 14.273 -0.648 1.298 390 HA CYS 53 HA CYS 53 13.659 -1.465 -1.467 391 HB2 CYS 53 HB2 CYS 53 12.608 -3.491 -0.491 392 HB3 CYS 53 HB3 CYS 53 14.336 -3.395 -0.167 393 H SER 54 H SER 54 11.470 -1.549 -2.085 394 HA SER 54 HA SER 54 9.387 -0.638 -2.265 395 HB2 SER 54 HB2 SER 54 9.516 -1.526 0.603 396 HB3 SER 54 HB3 SER 54 8.073 -0.725 -0.019 397 HG SER 54 HG SER 54 9.022 -3.261 -0.485 398 H LYS 55 H LYS 55 11.004 1.366 -2.444 399 HA LYS 55 HA LYS 55 11.000 3.651 -2.329 400 HB2 LYS 55 HB2 LYS 55 8.473 3.006 -1.386 401 HB3 LYS 55 HB3 LYS 55 9.146 4.007 -0.106 402 HG2 LYS 55 HG2 LYS 55 8.124 5.566 -1.450 403 HG3 LYS 55 HG3 LYS 55 9.785 5.608 -2.045 404 HD2 LYS 55 HD2 LYS 55 8.468 5.533 -3.983 405 HD3 LYS 55 HD3 LYS 55 9.024 3.872 -3.763 406 HE2 LYS 55 HE2 LYS 55 6.663 3.915 -4.339 407 HE3 LYS 55 HE3 LYS 55 6.888 3.308 -2.700 408 HZ1 LYS 55 HZ1 LYS 55 5.823 5.056 -1.815 409 HZ2 LYS 55 HZ2 LYS 55 5.142 5.214 -3.355 410 HZ3 LYS 55 HZ3 LYS 55 6.469 6.167 -2.916 411 H SER 56 H SER 56 10.457 2.307 0.932 412 HA SER 56 HA SER 56 11.638 2.491 2.868 413 HB2 SER 56 HB2 SER 56 13.505 1.649 1.458 414 HB3 SER 56 HB3 SER 56 13.937 3.315 1.077 415 HG SER 56 HG SER 56 14.953 3.402 2.903 416 HA PRO 57 HA PRO 57 10.869 7.047 2.872 417 HB2 PRO 57 HB2 PRO 57 9.197 6.982 5.010 418 HB3 PRO 57 HB3 PRO 57 8.648 6.706 3.352 419 HG2 PRO 57 HG2 PRO 57 9.282 4.713 5.493 420 HG3 PRO 57 HG3 PRO 57 7.926 4.735 4.351 421 HD2 PRO 57 HD2 PRO 57 10.110 3.177 3.988 422 HD3 PRO 57 HD3 PRO 57 9.194 3.867 2.633 423 HA PRO 58 HA PRO 58 13.640 8.116 6.114 424 HB2 PRO 58 HB2 PRO 58 12.579 10.419 7.084 425 HB3 PRO 58 HB3 PRO 58 13.370 10.315 5.507 426 HG2 PRO 58 HG2 PRO 58 10.451 10.276 6.168 427 HG3 PRO 58 HG3 PRO 58 11.292 11.136 4.865 428 HD2 PRO 58 HD2 PRO 58 9.958 8.815 4.455 429 HD3 PRO 58 HD3 PRO 58 11.407 9.260 3.530 430 H GLY 59 H GLY 59 13.835 7.040 7.973 431 HA2 GLY 59 HA2 GLY 59 13.320 7.135 10.373 432 HA3 GLY 59 HA3 GLY 59 11.624 7.230 9.924 433 H ALA 60 H ALA 60 11.914 5.386 11.651 434 HA ALA 60 HA ALA 60 11.597 3.177 12.103 435 HB1 ALA 60 HB1 ALA 60 10.445 1.930 10.580 436 HB2 ALA 60 HB2 ALA 60 10.220 3.532 9.876 437 HB3 ALA 60 HB3 ALA 60 11.451 2.448 9.227 438 H THR 61 H THR 61 12.403 0.852 10.971 439 HA THR 61 HA THR 61 15.196 1.096 10.193 440 HB THR 61 HB THR 61 15.537 -0.811 12.072 441 HG1 THR 61 HG1 THR 61 14.384 -0.329 13.890 442 HG21 THR 61 HG21 THR 61 17.018 0.650 12.948 443 HG22 THR 61 HG22 THR 61 15.801 1.908 13.167 444 HG23 THR 61 HG23 THR 61 16.541 1.663 11.586 445 HA PRO 62 HA PRO 62 14.423 -2.572 7.910 446 HB2 PRO 62 HB2 PRO 62 16.809 -3.859 8.054 447 HB3 PRO 62 HB3 PRO 62 16.562 -2.398 7.091 448 HG2 PRO 62 HG2 PRO 62 17.770 -2.690 9.815 449 HG3 PRO 62 HG3 PRO 62 18.314 -1.697 8.450 450 HD2 PRO 62 HD2 PRO 62 16.929 -0.670 10.537 451 HD3 PRO 62 HD3 PRO 62 16.782 -0.032 8.887 452 H ALA 63 H ALA 63 15.168 -5.103 8.093 453 HA ALA 63 HA ALA 63 14.252 -5.959 10.760 454 HB1 ALA 63 HB1 ALA 63 13.958 -7.678 8.334 455 HB2 ALA 63 HB2 ALA 63 13.004 -7.656 9.818 456 HB3 ALA 63 HB3 ALA 63 12.816 -6.367 8.630 457 HA PRO 64 HA PRO 64 18.579 -7.561 10.176 458 HB2 PRO 64 HB2 PRO 64 19.419 -6.886 12.668 459 HB3 PRO 64 HB3 PRO 64 19.482 -5.771 11.298 460 HG2 PRO 64 HG2 PRO 64 17.458 -5.960 13.496 461 HG3 PRO 64 HG3 PRO 64 18.204 -4.518 12.783 462 HD2 PRO 64 HD2 PRO 64 15.718 -5.355 12.111 463 HD3 PRO 64 HD3 PRO 64 16.793 -4.534 10.961 464 HA PRO 65 HA PRO 65 17.986 -11.369 12.294 465 HB2 PRO 65 HB2 PRO 65 20.501 -12.017 13.083 466 HB3 PRO 65 HB3 PRO 65 19.977 -12.080 11.396 467 HG2 PRO 65 HG2 PRO 65 21.529 -9.952 12.819 468 HG3 PRO 65 HG3 PRO 65 21.790 -10.636 11.204 469 HD2 PRO 65 HD2 PRO 65 20.559 -8.256 11.597 470 HD3 PRO 65 HD3 PRO 65 20.144 -9.335 10.250 471 H GLY 66 H GLY 66 19.410 -8.714 14.005 472 HA2 GLY 66 HA2 GLY 66 18.166 -8.564 16.269 473 HA3 GLY 66 HA3 GLY 66 19.009 -10.074 16.582 474 H ALA 67 H ALA 67 21.423 -9.251 15.164 475 HA ALA 67 HA ALA 67 22.431 -6.865 16.353 476 HB1 ALA 67 HB1 ALA 67 22.960 -9.479 17.697 477 HB2 ALA 67 HB2 ALA 67 24.197 -8.221 17.707 478 HB3 ALA 67 HB3 ALA 67 22.609 -7.901 18.404 479 H ALA 68 H ALA 68 23.449 -6.255 14.534 480 HA ALA 68 HA ALA 68 25.841 -7.628 13.754 481 HB1 ALA 68 HB1 ALA 68 25.053 -7.777 11.311 482 HB2 ALA 68 HB2 ALA 68 24.523 -9.027 12.438 483 HB3 ALA 68 HB3 ALA 68 23.424 -7.724 11.984 484 HA PRO 69 HA PRO 69 25.749 -3.027 13.140 485 HB2 PRO 69 HB2 PRO 69 28.076 -2.571 14.462 486 HB3 PRO 69 HB3 PRO 69 26.509 -2.656 15.276 487 HG2 PRO 69 HG2 PRO 69 28.630 -4.754 15.025 488 HG3 PRO 69 HG3 PRO 69 27.662 -4.306 16.442 489 HD2 PRO 69 HD2 PRO 69 27.094 -6.468 14.914 490 HD3 PRO 69 HD3 PRO 69 25.836 -5.522 15.736 491 HA PRO 70 HA PRO 70 28.580 -2.894 9.779 492 HB2 PRO 70 HB2 PRO 70 29.570 -0.370 9.926 493 HB3 PRO 70 HB3 PRO 70 27.915 -0.725 9.416 494 HG2 PRO 70 HG2 PRO 70 28.923 0.170 12.089 495 HG3 PRO 70 HG3 PRO 70 27.493 0.714 11.193 496 HD2 PRO 70 HD2 PRO 70 27.347 -1.062 13.232 497 HD3 PRO 70 HD3 PRO 70 26.237 -1.105 11.848 498 HA PRO 71 HA PRO 71 32.738 -3.719 10.947 499 HB2 PRO 71 HB2 PRO 71 34.159 -2.713 8.864 500 HB3 PRO 71 HB3 PRO 71 33.177 -4.178 8.739 501 HG2 PRO 71 HG2 PRO 71 32.524 -1.382 7.892 502 HG3 PRO 71 HG3 PRO 71 32.228 -2.907 7.038 503 HD2 PRO 71 HD2 PRO 71 30.293 -1.613 8.421 504 HD3 PRO 71 HD3 PRO 71 30.344 -3.381 8.278 505 H ALA 72 H ALA 72 32.520 -2.123 12.749 506 HA ALA 72 HA ALA 72 33.502 -0.525 14.045 507 HB1 ALA 72 HB1 ALA 72 35.445 -1.059 11.999 508 HB2 ALA 72 HB2 ALA 72 35.483 0.646 12.450 509 HB3 ALA 72 HB3 ALA 72 35.691 -0.598 13.683 510 H ALA 73 H ALA 73 34.137 0.976 10.894 511 HA ALA 73 HA ALA 73 31.871 2.689 10.956 512 HB1 ALA 73 HB1 ALA 73 33.754 3.499 12.734 513 HB2 ALA 73 HB2 ALA 73 34.237 4.393 11.291 514 HB3 ALA 73 HB3 ALA 73 32.605 4.572 11.934 515 H GLY 74 H GLY 74 31.534 2.485 8.817 516 HA2 GLY 74 HA2 GLY 74 32.003 3.615 6.705 517 HA3 GLY 74 HA3 GLY 74 33.712 3.374 7.032 518 H GLY 75 H GLY 75 34.660 1.375 6.628 519 HA2 GLY 75 HA2 GLY 75 33.428 -1.028 6.079 520 HA3 GLY 75 HA3 GLY 75 33.422 -0.150 4.556 521 H SER 76 H SER 76 34.780 -2.602 5.049 522 HA SER 76 HA SER 76 36.820 -3.613 4.870 523 HB2 SER 76 HB2 SER 76 38.247 -2.717 3.137 524 HB3 SER 76 HB3 SER 76 36.568 -2.468 2.657 525 HG SER 76 HG SER 76 38.000 -0.615 2.395 526 HA PRO 77 HA PRO 77 38.683 -0.946 8.217 527 HB2 PRO 77 HB2 PRO 77 38.649 -2.878 10.124 528 HB3 PRO 77 HB3 PRO 77 37.283 -1.795 9.829 529 HG2 PRO 77 HG2 PRO 77 37.705 -4.609 8.899 530 HG3 PRO 77 HG3 PRO 77 36.237 -3.853 9.547 531 HD2 PRO 77 HD2 PRO 77 36.629 -4.238 6.895 532 HD3 PRO 77 HD3 PRO 77 35.709 -2.860 7.534 533 H SER 78 H SER 78 39.344 -3.970 6.709 534 HA SER 78 HA SER 78 42.112 -3.572 6.609 535 HB2 SER 78 HB2 SER 78 41.131 -4.966 9.004 536 HB3 SER 78 HB3 SER 78 42.390 -5.838 8.130 537 HG SER 78 HG SER 78 43.679 -3.954 8.270 538 HA PRO 79 HA PRO 79 41.792 -6.712 3.564 539 HB2 PRO 79 HB2 PRO 79 44.253 -7.856 3.638 540 HB3 PRO 79 HB3 PRO 79 43.964 -6.239 2.983 541 HG2 PRO 79 HG2 PRO 79 44.996 -7.034 5.679 542 HG3 PRO 79 HG3 PRO 79 45.557 -5.742 4.603 543 HD2 PRO 79 HD2 PRO 79 43.954 -5.270 6.733 544 HD3 PRO 79 HD3 PRO 79 43.875 -4.303 5.246 545 HA PRO 80 HA PRO 80 40.802 -10.665 5.216 546 HB2 PRO 80 HB2 PRO 80 41.557 -12.353 3.229 547 HB3 PRO 80 HB3 PRO 80 40.151 -11.290 3.103 548 HG2 PRO 80 HG2 PRO 80 42.910 -10.920 2.001 549 HG3 PRO 80 HG3 PRO 80 41.345 -10.606 1.228 550 HD2 PRO 80 HD2 PRO 80 42.858 -8.637 2.308 551 HD3 PRO 80 HD3 PRO 80 41.084 -8.579 2.293 552 H ALA 81 H ALA 81 42.361 -10.620 6.946 553 HA ALA 81 HA ALA 81 44.145 -12.833 6.887 554 HB1 ALA 81 HB1 ALA 81 46.226 -11.526 7.366 555 HB2 ALA 81 HB2 ALA 81 45.634 -11.392 5.710 556 HB3 ALA 81 HB3 ALA 81 45.359 -10.077 6.853 557 H ASP 82 H ASP 82 42.092 -12.459 8.531 558 HA ASP 82 HA ASP 82 42.579 -11.030 10.904 559 HB2 ASP 82 HB2 ASP 82 40.735 -13.227 10.090 560 HB3 ASP 82 HB3 ASP 82 40.945 -12.925 11.813 561 H GLY 83 H GLY 83 42.947 -14.517 10.230 562 HA2 GLY 83 HA2 GLY 83 45.343 -15.113 11.197 563 HA3 GLY 83 HA3 GLY 83 44.474 -14.827 12.698 564 H GLY 84 H GLY 84 45.428 -17.206 12.684 565 HA2 GLY 84 HA2 GLY 84 43.107 -18.918 12.192 566 HA3 GLY 84 HA3 GLY 84 44.622 -19.378 11.429 567 H SER 85 H SER 85 43.019 -20.783 13.452 568 HA SER 85 HA SER 85 43.286 -21.966 15.379 569 HB2 SER 85 HB2 SER 85 45.299 -22.711 14.060 570 HB3 SER 85 HB3 SER 85 46.243 -21.509 14.939 571 HG SER 85 HG SER 85 46.480 -23.305 16.129 572 HA PRO 86 HA PRO 86 43.915 -18.060 17.826 573 HB2 PRO 86 HB2 PRO 86 41.470 -18.123 19.004 574 HB3 PRO 86 HB3 PRO 86 41.760 -17.366 17.433 575 HG2 PRO 86 HG2 PRO 86 40.636 -20.070 18.054 576 HG3 PRO 86 HG3 PRO 86 40.098 -18.884 16.850 577 HD2 PRO 86 HD2 PRO 86 41.610 -21.034 16.201 578 HD3 PRO 86 HD3 PRO 86 41.732 -19.486 15.341 579 HA PRO 87 HA PRO 87 44.897 -20.026 21.634 580 HB2 PRO 87 HB2 PRO 87 44.245 -18.137 23.472 581 HB3 PRO 87 HB3 PRO 87 45.639 -17.989 22.395 582 HG2 PRO 87 HG2 PRO 87 42.920 -16.760 22.152 583 HG3 PRO 87 HG3 PRO 87 44.509 -16.027 21.867 584 HD2 PRO 87 HD2 PRO 87 42.927 -16.905 19.853 585 HD3 PRO 87 HD3 PRO 87 44.699 -16.954 19.765 586 HA PRO 88 HA PRO 88 41.443 -21.936 23.572 587 HB2 PRO 88 HB2 PRO 88 42.275 -22.219 26.140 588 HB3 PRO 88 HB3 PRO 88 42.931 -23.176 24.807 589 HG2 PRO 88 HG2 PRO 88 44.066 -20.742 26.128 590 HG3 PRO 88 HG3 PRO 88 44.890 -22.231 25.629 591 HD2 PRO 88 HD2 PRO 88 44.981 -19.954 24.166 592 HD3 PRO 88 HD3 PRO 88 45.023 -21.567 23.426 593 HA PRO 89 HA PRO 89 38.774 -19.096 25.608 594 HB2 PRO 89 HB2 PRO 89 37.378 -20.693 27.303 595 HB3 PRO 89 HB3 PRO 89 37.147 -20.716 25.550 596 HG2 PRO 89 HG2 PRO 89 38.745 -22.569 27.275 597 HG3 PRO 89 HG3 PRO 89 37.666 -22.952 25.921 598 HD2 PRO 89 HD2 PRO 89 40.360 -22.875 25.661 599 HD3 PRO 89 HD3 PRO 89 39.260 -22.432 24.340 600 H ALA 90 H ALA 90 38.885 -17.681 27.255 601 HA ALA 90 HA ALA 90 39.826 -18.523 29.874 602 HB1 ALA 90 HB1 ALA 90 41.836 -17.551 29.858 603 HB2 ALA 90 HB2 ALA 90 41.681 -17.554 28.101 604 HB3 ALA 90 HB3 ALA 90 41.236 -16.118 29.023 605 H ASP 91 H ASP 91 38.084 -17.852 30.986 606 HA ASP 91 HA ASP 91 36.559 -15.554 30.368 607 HB2 ASP 91 HB2 ASP 91 36.240 -17.737 32.021 608 HB3 ASP 91 HB3 ASP 91 36.438 -16.412 33.165 609 H GLY 92 H GLY 92 36.324 -13.606 31.608 610 HA2 GLY 92 HA2 GLY 92 38.811 -12.383 32.223 611 HA3 GLY 92 HA3 GLY 92 37.222 -11.678 32.482 612 H GLY 93 H GLY 93 39.850 -13.442 33.904 613 HA2 GLY 93 HA2 GLY 93 38.452 -13.668 36.463 614 HA3 GLY 93 HA3 GLY 93 40.022 -14.356 36.074 615 H SER 94 H SER 94 40.359 -13.385 38.309 616 HA SER 94 HA SER 94 41.961 -11.059 38.037 617 HB2 SER 94 HB2 SER 94 40.700 -9.551 39.511 618 HB3 SER 94 HB3 SER 94 39.766 -9.943 38.067 619 HG SER 94 HG SER 94 39.245 -10.498 40.696 620 HA PRO 95 HA PRO 95 43.807 -11.564 38.123 621 HB2 PRO 95 HB2 PRO 95 45.593 -13.606 38.222 622 HB3 PRO 95 HB3 PRO 95 45.779 -12.120 39.161 623 HG2 PRO 95 HG2 PRO 95 44.726 -14.786 40.024 624 HG3 PRO 95 HG3 PRO 95 45.832 -13.691 40.875 625 HD2 PRO 95 HD2 PRO 95 43.195 -13.849 41.470 626 HD3 PRO 95 HD3 PRO 95 44.120 -12.342 41.625 627 HA PRO 96 HA PRO 96 41.966 -14.289 35.200 628 HB2 PRO 96 HB2 PRO 96 43.796 -14.253 33.195 629 HB3 PRO 96 HB3 PRO 96 42.746 -12.880 33.562 630 HG2 PRO 96 HG2 PRO 96 45.600 -13.343 34.339 631 HG3 PRO 96 HG3 PRO 96 44.828 -11.860 33.748 632 HD2 PRO 96 HD2 PRO 96 45.346 -12.287 36.371 633 HD3 PRO 96 HD3 PRO 96 43.948 -11.345 35.815 634 H VAL 97 H VAL 97 42.267 -16.310 33.993 635 HA VAL 97 HA VAL 97 44.285 -18.040 35.268 636 HB VAL 97 HB VAL 97 42.724 -19.928 34.750 637 HG11 VAL 97 HG11 VAL 97 40.931 -18.954 36.487 638 HG12 VAL 97 HG12 VAL 97 42.550 -19.472 36.961 639 HG13 VAL 97 HG13 VAL 97 42.213 -17.761 36.694 640 HG21 VAL 97 HG21 VAL 97 40.427 -18.104 34.528 641 HG22 VAL 97 HG22 VAL 97 41.467 -18.184 33.106 642 HG23 VAL 97 HG23 VAL 97 40.728 -19.653 33.741 643 H ASP 98 H ASP 98 44.988 -16.561 33.022 644 HA ASP 98 HA ASP 98 44.611 -17.807 30.553 645 HB2 ASP 98 HB2 ASP 98 46.040 -15.617 31.491 646 HB3 ASP 98 HB3 ASP 98 47.285 -16.691 30.859 647 H GLY 99 H GLY 99 45.703 -19.388 29.431 648 HA2 GLY 99 HA2 GLY 99 47.631 -20.844 29.181 649 HA3 GLY 99 HA3 GLY 99 47.756 -20.885 30.933 650 H GLY 100 H GLY 100 47.504 -23.061 28.918 651 HA2 GLY 100 HA2 GLY 100 46.397 -25.059 28.666 652 HA3 GLY 100 HA3 GLY 100 45.974 -24.860 30.360 653 H SER 101 H SER 101 43.888 -24.677 30.850 654 HA SER 101 HA SER 101 41.626 -24.594 30.596 655 HB2 SER 101 HB2 SER 101 42.673 -22.296 29.041 656 HB3 SER 101 HB3 SER 101 40.995 -22.744 28.736 657 HG SER 101 HG SER 101 40.458 -22.125 30.697 658 HA PRO 102 HA PRO 102 41.868 -27.253 26.778 659 HB2 PRO 102 HB2 PRO 102 40.974 -29.508 27.995 660 HB3 PRO 102 HB3 PRO 102 42.680 -29.048 27.959 661 HG2 PRO 102 HG2 PRO 102 40.666 -28.687 30.145 662 HG3 PRO 102 HG3 PRO 102 42.355 -29.218 30.256 663 HD2 PRO 102 HD2 PRO 102 41.584 -26.686 30.827 664 HD3 PRO 102 HD3 PRO 102 43.172 -27.067 30.130 665 HA PRO 103 HA PRO 103 40.924 -29.465 25.997 666 HB2 PRO 103 HB2 PRO 103 39.837 -29.581 23.512 667 HB3 PRO 103 HB3 PRO 103 39.210 -30.509 24.879 668 HG2 PRO 103 HG2 PRO 103 38.216 -27.932 23.725 669 HG3 PRO 103 HG3 PRO 103 37.292 -29.346 24.266 670 HD2 PRO 103 HD2 PRO 103 37.570 -27.119 25.782 671 HD3 PRO 103 HD3 PRO 103 37.430 -28.743 26.487 672 HA PRO 104 HA PRO 104 43.675 -26.845 23.783 673 HB2 PRO 104 HB2 PRO 104 44.739 -28.519 21.930 674 HB3 PRO 104 HB3 PRO 104 45.125 -28.622 23.651 675 HG2 PRO 104 HG2 PRO 104 43.194 -30.248 22.043 676 HG3 PRO 104 HG3 PRO 104 44.346 -30.781 23.281 677 HD2 PRO 104 HD2 PRO 104 41.709 -30.441 23.794 678 HD3 PRO 104 HD3 PRO 104 42.965 -30.153 25.016 679 HA PRO 105 HA PRO 105 41.942 -25.185 20.098 680 HB2 PRO 105 HB2 PRO 105 44.136 -24.414 18.696 681 HB3 PRO 105 HB3 PRO 105 43.583 -23.578 20.152 682 HG2 PRO 105 HG2 PRO 105 45.763 -25.607 19.845 683 HG3 PRO 105 HG3 PRO 105 45.758 -24.105 20.787 684 HD2 PRO 105 HD2 PRO 105 45.359 -26.534 21.916 685 HD3 PRO 105 HD3 PRO 105 44.592 -25.056 22.533 686 H SER 106 H SER 106 41.988 -25.302 17.672 687 HA SER 106 HA SER 106 41.800 -26.516 15.757 688 HB2 SER 106 HB2 SER 106 44.196 -28.042 16.801 689 HB3 SER 106 HB3 SER 106 43.655 -27.950 15.125 690 HG SER 106 HG SER 106 45.334 -26.488 15.462 691 H THR 107 H THR 107 40.365 -27.353 18.136 692 HA THR 107 HA THR 107 40.357 -30.109 18.546 693 HB THR 107 HB THR 107 39.135 -28.597 20.015 694 HG1 THR 107 HG1 THR 107 37.338 -29.917 20.266 695 HG21 THR 107 HG21 THR 107 37.041 -28.303 17.876 696 HG22 THR 107 HG22 THR 107 38.342 -27.130 18.080 697 HG23 THR 107 HG23 THR 107 37.197 -27.414 19.390 698 H HIS 108 H HIS 108 39.126 -31.797 17.696 699 HA HIS 108 HA HIS 108 37.846 -31.254 15.099 700 HB2 HIS 108 HB2 HIS 108 40.185 -32.543 15.268 701 HB3 HIS 108 HB3 HIS 108 39.109 -33.908 15.550 702 HD1 HIS 108 HD1 HIS 108 38.591 -35.116 13.470 703 HD2 HIS 108 HD2 HIS 108 39.175 -31.061 12.780 704 HE1 HIS 108 HE1 HIS 108 38.302 -34.807 10.991 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.458 0.347 4.649 2 HA ALA 1 HA ALA 1 3.444 -0.713 4.300 3 HB1 ALA 1 HB1 ALA 1 2.054 -2.746 4.219 4 HB2 ALA 1 HB2 ALA 1 1.878 -2.534 2.476 5 HB3 ALA 1 HB3 ALA 1 3.468 -2.850 3.171 6 H GLY 2 H GLY 2 4.777 0.648 3.269 7 HA2 GLY 2 HA2 GLY 2 5.391 0.321 0.547 8 HA3 GLY 2 HA3 GLY 2 4.360 1.734 0.712 9 H SER 3 H SER 3 6.904 0.508 2.863 10 HA SER 3 HA SER 3 8.938 2.256 2.114 11 HB2 SER 3 HB2 SER 3 8.483 3.642 4.447 12 HB3 SER 3 HB3 SER 3 8.124 4.238 2.827 13 HG SER 3 HG SER 3 6.237 2.641 4.154 14 H LYS 4 H LYS 4 10.543 0.971 2.727 15 HA LYS 4 HA LYS 4 11.130 0.526 5.465 16 HB2 LYS 4 HB2 LYS 4 9.327 -1.302 4.492 17 HB3 LYS 4 HB3 LYS 4 10.860 -2.124 4.234 18 HG2 LYS 4 HG2 LYS 4 10.942 -1.031 6.831 19 HG3 LYS 4 HG3 LYS 4 9.370 -1.812 6.642 20 HD2 LYS 4 HD2 LYS 4 11.019 -3.659 5.520 21 HD3 LYS 4 HD3 LYS 4 12.063 -2.982 6.772 22 HE2 LYS 4 HE2 LYS 4 10.886 -4.848 7.703 23 HE3 LYS 4 HE3 LYS 4 10.233 -3.373 8.415 24 HZ1 LYS 4 HZ1 LYS 4 8.356 -4.583 7.882 25 HZ2 LYS 4 HZ2 LYS 4 8.998 -5.169 6.432 26 HZ3 LYS 4 HZ3 LYS 4 8.502 -3.556 6.545 27 H LEU 5 H LEU 5 12.802 -1.651 5.319 28 HA LEU 5 HA LEU 5 14.642 -1.040 3.110 29 HB2 LEU 5 HB2 LEU 5 15.048 -0.620 5.956 30 HB3 LEU 5 HB3 LEU 5 16.288 -1.653 5.247 31 HG LEU 5 HG LEU 5 16.506 0.234 3.483 32 HD11 LEU 5 HD11 LEU 5 14.627 1.573 3.995 33 HD12 LEU 5 HD12 LEU 5 16.040 2.475 4.543 34 HD13 LEU 5 HD13 LEU 5 15.033 1.618 5.711 35 HD21 LEU 5 HD21 LEU 5 18.326 -0.217 4.897 36 HD22 LEU 5 HD22 LEU 5 17.469 0.360 6.327 37 HD23 LEU 5 HD23 LEU 5 18.007 1.506 5.098 38 H CYS 6 H CYS 6 16.071 -2.732 2.529 39 HA CYS 6 HA CYS 6 15.280 -5.378 3.561 40 HB2 CYS 6 HB2 CYS 6 15.889 -4.481 0.751 41 HB3 CYS 6 HB3 CYS 6 15.983 -6.176 1.217 42 H GLU 7 H GLU 7 16.853 -6.587 4.393 43 HA GLU 7 HA GLU 7 19.641 -5.871 3.761 44 HB2 GLU 7 HB2 GLU 7 19.355 -5.223 6.001 45 HB3 GLU 7 HB3 GLU 7 18.364 -6.626 6.374 46 HG2 GLU 7 HG2 GLU 7 21.099 -7.235 5.505 47 HG3 GLU 7 HG3 GLU 7 20.971 -6.365 7.032 48 H LYS 8 H LYS 8 21.026 -7.482 3.234 49 HA LYS 8 HA LYS 8 19.884 -10.187 3.052 50 HB2 LYS 8 HB2 LYS 8 21.829 -8.661 1.374 51 HB3 LYS 8 HB3 LYS 8 21.954 -10.414 1.427 52 HG2 LYS 8 HG2 LYS 8 20.609 -10.045 -0.414 53 HG3 LYS 8 HG3 LYS 8 19.438 -10.387 0.862 54 HD2 LYS 8 HD2 LYS 8 19.288 -7.881 1.207 55 HD3 LYS 8 HD3 LYS 8 20.198 -7.713 -0.296 56 HE2 LYS 8 HE2 LYS 8 18.122 -7.651 -1.193 57 HE3 LYS 8 HE3 LYS 8 18.293 -9.405 -1.123 58 HZ1 LYS 8 HZ1 LYS 8 16.552 -9.491 0.217 59 HZ2 LYS 8 HZ2 LYS 8 16.374 -7.812 0.130 60 HZ3 LYS 8 HZ3 LYS 8 17.326 -8.498 1.348 61 H THR 9 H THR 9 21.035 -11.966 3.766 62 HA THR 9 HA THR 9 23.423 -11.372 5.391 63 HB THR 9 HB THR 9 21.639 -13.688 6.039 64 HG1 THR 9 HG1 THR 9 20.136 -12.110 6.175 65 HG21 THR 9 HG21 THR 9 23.728 -12.056 7.393 66 HG22 THR 9 HG22 THR 9 23.482 -13.803 7.394 67 HG23 THR 9 HG23 THR 9 22.455 -12.767 8.385 68 H SER 10 H SER 10 24.214 -11.893 3.031 69 HA SER 10 HA SER 10 25.302 -13.300 1.604 70 HB2 SER 10 HB2 SER 10 26.802 -13.519 3.503 71 HB3 SER 10 HB3 SER 10 25.774 -14.766 4.211 72 HG SER 10 HG SER 10 27.493 -15.731 3.126 73 H LYS 11 H LYS 11 22.578 -13.699 1.572 74 HA LYS 11 HA LYS 11 21.634 -16.270 2.007 75 HB2 LYS 11 HB2 LYS 11 20.888 -14.356 -0.212 76 HB3 LYS 11 HB3 LYS 11 19.950 -15.766 0.264 77 HG2 LYS 11 HG2 LYS 11 20.539 -13.370 1.991 78 HG3 LYS 11 HG3 LYS 11 19.008 -13.727 1.189 79 HD2 LYS 11 HD2 LYS 11 18.505 -14.636 3.200 80 HD3 LYS 11 HD3 LYS 11 19.364 -16.026 2.533 81 HE2 LYS 11 HE2 LYS 11 21.321 -14.336 3.637 82 HE3 LYS 11 HE3 LYS 11 20.010 -14.409 4.814 83 HZ1 LYS 11 HZ1 LYS 11 21.972 -16.310 4.355 84 HZ2 LYS 11 HZ2 LYS 11 20.530 -16.989 3.790 85 HZ3 LYS 11 HZ3 LYS 11 20.637 -16.439 5.387 86 H THR 12 H THR 12 23.680 -15.043 -0.529 87 HA THR 12 HA THR 12 24.356 -17.701 -1.365 88 HB THR 12 HB THR 12 22.365 -17.534 -2.696 89 HG1 THR 12 HG1 THR 12 23.301 -17.909 -4.660 90 HG21 THR 12 HG21 THR 12 23.248 -14.758 -3.028 91 HG22 THR 12 HG22 THR 12 21.624 -15.445 -3.078 92 HG23 THR 12 HG23 THR 12 22.653 -15.509 -4.508 93 H TYR 13 H TYR 13 26.185 -16.280 -0.365 94 HA TYR 13 HA TYR 13 27.477 -14.632 -2.412 95 HB2 TYR 13 HB2 TYR 13 27.499 -13.473 -0.382 96 HB3 TYR 13 HB3 TYR 13 27.833 -14.925 0.556 97 HD1 TYR 13 HD1 TYR 13 29.349 -12.534 -1.846 98 HD2 TYR 13 HD2 TYR 13 30.040 -15.517 1.107 99 HE1 TYR 13 HE1 TYR 13 31.746 -11.982 -1.859 100 HE2 TYR 13 HE2 TYR 13 32.438 -14.973 1.104 101 HH TYR 13 HH TYR 13 33.773 -12.562 -1.126 102 H SER 14 H SER 14 28.560 -17.041 -0.011 103 HA SER 14 HA SER 14 30.127 -18.688 -0.106 104 HB2 SER 14 HB2 SER 14 29.605 -18.636 -3.088 105 HB3 SER 14 HB3 SER 14 30.325 -19.958 -2.170 106 HG SER 14 HG SER 14 28.297 -20.032 -0.993 107 H GLY 15 H GLY 15 32.303 -19.289 -1.093 108 HA2 GLY 15 HA2 GLY 15 34.373 -18.695 -1.980 109 HA3 GLY 15 HA3 GLY 15 33.694 -17.146 -2.458 110 H LYS 16 H LYS 16 36.224 -17.358 -1.343 111 HA LYS 16 HA LYS 16 36.481 -17.087 1.389 112 HB2 LYS 16 HB2 LYS 16 38.470 -15.624 0.854 113 HB3 LYS 16 HB3 LYS 16 38.451 -17.196 0.064 114 HG2 LYS 16 HG2 LYS 16 37.161 -15.184 -1.559 115 HG3 LYS 16 HG3 LYS 16 38.814 -14.727 -1.141 116 HD2 LYS 16 HD2 LYS 16 39.514 -17.033 -1.889 117 HD3 LYS 16 HD3 LYS 16 37.881 -17.233 -2.529 118 HE2 LYS 16 HE2 LYS 16 38.435 -16.121 -4.369 119 HE3 LYS 16 HE3 LYS 16 38.927 -14.726 -3.409 120 HZ1 LYS 16 HZ1 LYS 16 41.103 -15.346 -3.448 121 HZ2 LYS 16 HZ2 LYS 16 40.619 -15.978 -4.940 122 HZ3 LYS 16 HZ3 LYS 16 40.766 -16.998 -3.598 123 H CYS 17 H CYS 17 35.097 -15.900 2.570 124 HA CYS 17 HA CYS 17 33.773 -13.588 1.853 125 HB2 CYS 17 HB2 CYS 17 33.698 -15.137 4.026 126 HB3 CYS 17 HB3 CYS 17 34.673 -13.826 4.682 127 H ASP 18 H ASP 18 34.796 -11.902 0.947 128 HA ASP 18 HA ASP 18 37.163 -10.811 2.316 129 HB2 ASP 18 HB2 ASP 18 36.852 -11.453 -0.338 130 HB3 ASP 18 HB3 ASP 18 36.525 -9.722 -0.334 131 H ASN 19 H ASN 19 37.190 -8.266 1.322 132 HA ASN 19 HA ASN 19 34.986 -7.066 2.803 133 HB2 ASN 19 HB2 ASN 19 37.468 -5.787 1.635 134 HB3 ASN 19 HB3 ASN 19 36.306 -5.001 2.700 135 HD21 ASN 19 HD22 ASN 19 39.265 -6.178 2.688 136 HD22 ASN 19 HD21 ASN 19 39.392 -6.786 4.300 137 H LYS 20 H LYS 20 36.694 -6.007 -0.135 138 HA LYS 20 HA LYS 20 34.478 -4.600 -1.164 139 HB2 LYS 20 HB2 LYS 20 37.018 -4.427 -1.735 140 HB3 LYS 20 HB3 LYS 20 36.659 -5.673 -2.924 141 HG2 LYS 20 HG2 LYS 20 34.705 -3.616 -3.149 142 HG3 LYS 20 HG3 LYS 20 36.309 -2.881 -3.145 143 HD2 LYS 20 HD2 LYS 20 36.145 -5.284 -4.792 144 HD3 LYS 20 HD3 LYS 20 35.055 -4.000 -5.322 145 HE2 LYS 20 HE2 LYS 20 38.024 -3.733 -4.856 146 HE3 LYS 20 HE3 LYS 20 37.228 -3.834 -6.426 147 HZ1 LYS 20 HZ1 LYS 20 37.707 -1.558 -4.882 148 HZ2 LYS 20 HZ2 LYS 20 36.031 -1.777 -4.942 149 HZ3 LYS 20 HZ3 LYS 20 36.920 -1.657 -6.377 150 H LYS 21 H LYS 21 35.627 -7.886 -1.620 151 HA LYS 21 HA LYS 21 34.077 -8.590 -3.844 152 HB2 LYS 21 HB2 LYS 21 35.049 -10.288 -1.539 153 HB3 LYS 21 HB3 LYS 21 34.354 -10.932 -3.021 154 HG2 LYS 21 HG2 LYS 21 36.879 -9.305 -2.805 155 HG3 LYS 21 HG3 LYS 21 36.773 -11.045 -3.083 156 HD2 LYS 21 HD2 LYS 21 36.948 -10.429 -5.249 157 HD3 LYS 21 HD3 LYS 21 35.213 -10.152 -5.089 158 HE2 LYS 21 HE2 LYS 21 35.517 -8.011 -5.590 159 HE3 LYS 21 HE3 LYS 21 36.539 -7.827 -4.165 160 HZ1 LYS 21 HZ1 LYS 21 37.470 -7.295 -6.512 161 HZ2 LYS 21 HZ2 LYS 21 37.683 -8.970 -6.620 162 HZ3 LYS 21 HZ3 LYS 21 38.445 -8.099 -5.386 163 H CYS 22 H CYS 22 33.350 -8.697 -0.381 164 HA CYS 22 HA CYS 22 30.828 -9.952 -0.631 165 HB2 CYS 22 HB2 CYS 22 32.466 -9.002 1.470 166 HB3 CYS 22 HB3 CYS 22 30.904 -8.208 1.650 167 H ASP 23 H ASP 23 31.649 -6.534 -0.027 168 HA ASP 23 HA ASP 23 29.094 -5.480 -0.166 169 HB2 ASP 23 HB2 ASP 23 31.420 -4.371 0.362 170 HB3 ASP 23 HB3 ASP 23 31.380 -3.952 -1.349 171 H LYS 24 H LYS 24 31.398 -6.061 -2.795 172 HA LYS 24 HA LYS 24 29.845 -4.945 -4.860 173 HB2 LYS 24 HB2 LYS 24 32.191 -5.362 -5.206 174 HB3 LYS 24 HB3 LYS 24 31.979 -7.083 -4.909 175 HG2 LYS 24 HG2 LYS 24 30.685 -7.308 -6.942 176 HG3 LYS 24 HG3 LYS 24 30.792 -5.569 -7.227 177 HD2 LYS 24 HD2 LYS 24 33.145 -5.692 -7.576 178 HD3 LYS 24 HD3 LYS 24 33.203 -7.363 -7.010 179 HE2 LYS 24 HE2 LYS 24 31.479 -6.678 -9.344 180 HE3 LYS 24 HE3 LYS 24 33.222 -6.803 -9.576 181 HZ1 LYS 24 HZ1 LYS 24 33.184 -9.018 -9.315 182 HZ2 LYS 24 HZ2 LYS 24 31.550 -8.873 -9.728 183 HZ3 LYS 24 HZ3 LYS 24 32.005 -8.982 -8.102 184 H LYS 25 H LYS 25 30.137 -8.286 -3.691 185 HA LYS 25 HA LYS 25 28.408 -9.474 -5.547 186 HB2 LYS 25 HB2 LYS 25 29.988 -10.447 -3.620 187 HB3 LYS 25 HB3 LYS 25 28.453 -10.526 -2.765 188 HG2 LYS 25 HG2 LYS 25 28.829 -11.706 -5.499 189 HG3 LYS 25 HG3 LYS 25 29.178 -12.602 -4.019 190 HD2 LYS 25 HD2 LYS 25 26.529 -11.429 -4.860 191 HD3 LYS 25 HD3 LYS 25 26.948 -13.139 -4.739 192 HE2 LYS 25 HE2 LYS 25 27.426 -12.656 -2.272 193 HE3 LYS 25 HE3 LYS 25 26.567 -11.138 -2.531 194 HZ1 LYS 25 HZ1 LYS 25 24.607 -12.173 -2.548 195 HZ2 LYS 25 HZ2 LYS 25 25.415 -13.482 -1.846 196 HZ3 LYS 25 HZ3 LYS 25 25.159 -13.445 -3.518 197 H CYS 26 H CYS 26 27.781 -7.650 -2.646 198 HA CYS 26 HA CYS 26 25.100 -8.448 -2.237 199 HB2 CYS 26 HB2 CYS 26 26.589 -5.936 -1.460 200 HB3 CYS 26 HB3 CYS 26 24.940 -6.282 -0.950 201 H ILE 27 H ILE 27 26.471 -5.580 -3.844 202 HA ILE 27 HA ILE 27 23.895 -4.743 -4.816 203 HB ILE 27 HB ILE 27 26.585 -3.723 -5.721 204 HG12 ILE 27 HG12 ILE 27 25.371 -1.991 -3.811 205 HG13 ILE 27 HG13 ILE 27 25.432 -3.606 -3.112 206 HG21 ILE 27 HG21 ILE 27 23.783 -2.922 -6.114 207 HG22 ILE 27 HG22 ILE 27 24.898 -1.612 -5.730 208 HG23 ILE 27 HG23 ILE 27 25.199 -2.644 -7.128 209 HD11 ILE 27 HD11 ILE 27 27.501 -3.068 -2.506 210 HD12 ILE 27 HD12 ILE 27 27.929 -3.329 -4.198 211 HD13 ILE 27 HD13 ILE 27 27.569 -1.702 -3.620 212 H GLU 28 H GLU 28 26.322 -6.890 -5.872 213 HA GLU 28 HA GLU 28 25.684 -6.674 -8.687 214 HB2 GLU 28 HB2 GLU 28 27.568 -8.335 -7.058 215 HB3 GLU 28 HB3 GLU 28 27.168 -8.837 -8.695 216 HG2 GLU 28 HG2 GLU 28 27.776 -6.141 -8.928 217 HG3 GLU 28 HG3 GLU 28 28.960 -6.768 -7.782 218 H TRP 29 H TRP 29 25.114 -8.946 -6.036 219 HA TRP 29 HA TRP 29 23.322 -10.489 -7.776 220 HB2 TRP 29 HB2 TRP 29 24.686 -11.142 -5.167 221 HB3 TRP 29 HB3 TRP 29 23.386 -12.135 -5.819 222 HD1 TRP 29 HD1 TRP 29 26.079 -10.605 -8.082 223 HE1 TRP 29 HE1 TRP 29 27.462 -12.515 -9.112 224 HE3 TRP 29 HE3 TRP 29 24.111 -14.532 -5.467 225 HZ2 TRP 29 HZ2 TRP 29 27.688 -15.317 -8.852 226 HZ3 TRP 29 HZ3 TRP 29 24.965 -16.795 -5.918 227 HH2 TRP 29 HH2 TRP 29 26.716 -17.177 -7.576 228 H GLU 30 H GLU 30 23.449 -9.104 -4.496 229 HA GLU 30 HA GLU 30 20.571 -9.352 -4.224 230 HB2 GLU 30 HB2 GLU 30 22.358 -7.920 -2.282 231 HB3 GLU 30 HB3 GLU 30 20.853 -8.775 -1.971 232 HG2 GLU 30 HG2 GLU 30 23.584 -9.896 -2.456 233 HG3 GLU 30 HG3 GLU 30 22.501 -10.160 -1.091 234 H LYS 31 H LYS 31 22.515 -7.242 -5.776 235 HA LYS 31 HA LYS 31 22.424 -5.027 -6.356 236 HB2 LYS 31 HB2 LYS 31 19.440 -5.429 -6.189 237 HB3 LYS 31 HB3 LYS 31 20.329 -4.372 -7.278 238 HG2 LYS 31 HG2 LYS 31 20.208 -7.376 -7.335 239 HG3 LYS 31 HG3 LYS 31 19.572 -6.244 -8.531 240 HD2 LYS 31 HD2 LYS 31 22.484 -6.657 -7.852 241 HD3 LYS 31 HD3 LYS 31 21.661 -7.254 -9.295 242 HE2 LYS 31 HE2 LYS 31 22.140 -4.381 -8.520 243 HE3 LYS 31 HE3 LYS 31 22.866 -5.258 -9.866 244 HZ1 LYS 31 HZ1 LYS 31 21.186 -4.077 -10.877 245 HZ2 LYS 31 HZ2 LYS 31 20.114 -4.251 -9.580 246 HZ3 LYS 31 HZ3 LYS 31 20.426 -5.563 -10.601 247 H ALA 32 H ALA 32 22.616 -5.443 -3.528 248 HA ALA 32 HA ALA 32 20.808 -3.639 -2.210 249 HB1 ALA 32 HB1 ALA 32 21.925 -5.635 -1.142 250 HB2 ALA 32 HB2 ALA 32 23.409 -4.681 -1.116 251 HB3 ALA 32 HB3 ALA 32 21.991 -4.132 -0.222 252 H GLN 33 H GLN 33 22.392 -2.175 -0.529 253 HA GLN 33 HA GLN 33 23.609 -0.256 -2.390 254 HB2 GLN 33 HB2 GLN 33 21.738 0.071 -0.329 255 HB3 GLN 33 HB3 GLN 33 23.235 0.753 0.293 256 HG2 GLN 33 HG2 GLN 33 23.392 2.097 -1.812 257 HG3 GLN 33 HG3 GLN 33 21.771 1.531 -2.213 258 HE21 GLN 33 HE22 GLN 33 21.173 3.770 -2.203 259 HE22 GLN 33 HE21 GLN 33 20.826 4.565 -0.709 260 H HIS 34 H HIS 34 24.099 -1.736 0.802 261 HA HIS 34 HA HIS 34 26.991 -1.438 0.410 262 HB2 HIS 34 HB2 HIS 34 25.827 0.298 2.020 263 HB3 HIS 34 HB3 HIS 34 25.868 -1.049 3.155 264 HD1 HIS 34 HD1 HIS 34 28.255 0.982 1.014 265 HD2 HIS 34 HD2 HIS 34 28.238 -1.346 4.455 266 HE1 HIS 34 HE1 HIS 34 30.557 1.221 1.998 267 H GLY 35 H GLY 35 28.282 -2.935 1.657 268 HA2 GLY 35 HA2 GLY 35 26.882 -5.131 2.961 269 HA3 GLY 35 HA3 GLY 35 27.742 -5.536 1.484 270 H ALA 36 H ALA 36 28.226 -6.516 4.170 271 HA ALA 36 HA ALA 36 31.074 -5.971 4.268 272 HB1 ALA 36 HB1 ALA 36 29.208 -4.858 6.203 273 HB2 ALA 36 HB2 ALA 36 30.479 -5.827 6.951 274 HB3 ALA 36 HB3 ALA 36 30.903 -4.469 5.908 275 H CYS 37 H CYS 37 32.210 -7.451 5.761 276 HA CYS 37 HA CYS 37 30.705 -9.955 6.156 277 HB2 CYS 37 HB2 CYS 37 32.302 -10.112 4.273 278 HB3 CYS 37 HB3 CYS 37 33.612 -9.678 5.366 279 H HIS 38 H HIS 38 31.203 -11.197 7.976 280 HA HIS 38 HA HIS 38 33.179 -10.249 9.868 281 HB2 HIS 38 HB2 HIS 38 31.140 -8.864 10.314 282 HB3 HIS 38 HB3 HIS 38 30.269 -10.350 10.683 283 HD1 HIS 38 HD1 HIS 38 30.681 -11.426 12.957 284 HD2 HIS 38 HD2 HIS 38 33.070 -8.102 12.245 285 HE1 HIS 38 HE1 HIS 38 31.747 -10.878 15.168 286 H LYS 39 H LYS 39 33.788 -11.797 11.364 287 HA LYS 39 HA LYS 39 32.901 -14.503 10.747 288 HB2 LYS 39 HB2 LYS 39 34.838 -15.209 12.095 289 HB3 LYS 39 HB3 LYS 39 35.299 -14.098 10.812 290 HG2 LYS 39 HG2 LYS 39 36.413 -13.001 12.395 291 HG3 LYS 39 HG3 LYS 39 34.834 -12.407 12.916 292 HD2 LYS 39 HD2 LYS 39 35.485 -13.278 14.900 293 HD3 LYS 39 HD3 LYS 39 34.875 -14.774 14.189 294 HE2 LYS 39 HE2 LYS 39 37.292 -15.011 13.266 295 HE3 LYS 39 HE3 LYS 39 37.701 -13.846 14.524 296 HZ1 LYS 39 HZ1 LYS 39 37.461 -15.372 16.118 297 HZ2 LYS 39 HZ2 LYS 39 37.588 -16.511 14.875 298 HZ3 LYS 39 HZ3 LYS 39 36.064 -16.037 15.434 299 H ARG 40 H ARG 40 31.658 -15.712 12.040 300 HA ARG 40 HA ARG 40 31.442 -15.139 14.872 301 HB2 ARG 40 HB2 ARG 40 29.432 -14.276 12.951 302 HB3 ARG 40 HB3 ARG 40 28.762 -15.354 14.168 303 HG2 ARG 40 HG2 ARG 40 30.489 -13.097 15.049 304 HG3 ARG 40 HG3 ARG 40 28.831 -12.765 14.544 305 HD2 ARG 40 HD2 ARG 40 28.347 -14.825 16.153 306 HD3 ARG 40 HD3 ARG 40 29.844 -14.265 16.895 307 HE ARG 40 HE ARG 40 28.411 -11.998 16.699 308 HH11 ARG 40 HH12 ARG 40 27.653 -15.158 17.947 309 HH12 ARG 40 HH11 ARG 40 26.531 -14.566 19.127 310 HH21 ARG 40 HH22 ARG 40 26.937 -11.206 18.249 311 HH22 ARG 40 HH21 ARG 40 26.124 -12.318 19.298 312 H GLU 41 H GLU 41 29.651 -16.699 15.812 313 HA GLU 41 HA GLU 41 29.033 -18.844 16.247 314 HB2 GLU 41 HB2 GLU 41 29.449 -19.548 13.360 315 HB3 GLU 41 HB3 GLU 41 28.253 -20.172 14.487 316 HG2 GLU 41 HG2 GLU 41 28.281 -17.548 13.048 317 HG3 GLU 41 HG3 GLU 41 27.047 -18.807 13.034 318 H ALA 42 H ALA 42 29.848 -21.278 15.177 319 HA ALA 42 HA ALA 42 32.134 -21.888 16.528 320 HB1 ALA 42 HB1 ALA 42 32.371 -23.739 14.680 321 HB2 ALA 42 HB2 ALA 42 31.015 -23.754 15.809 322 HB3 ALA 42 HB3 ALA 42 30.796 -23.128 14.175 323 H GLY 43 H GLY 43 31.880 -20.609 13.253 324 HA2 GLY 43 HA2 GLY 43 34.249 -19.257 13.172 325 HA3 GLY 43 HA3 GLY 43 34.687 -20.891 12.695 326 H LYS 44 H LYS 44 31.645 -19.274 11.959 327 HA LYS 44 HA LYS 44 32.348 -19.444 9.104 328 HB2 LYS 44 HB2 LYS 44 29.984 -19.644 8.632 329 HB3 LYS 44 HB3 LYS 44 30.439 -20.851 9.828 330 HG2 LYS 44 HG2 LYS 44 29.662 -18.964 11.506 331 HG3 LYS 44 HG3 LYS 44 28.715 -18.452 10.107 332 HD2 LYS 44 HD2 LYS 44 27.366 -19.934 11.419 333 HD3 LYS 44 HD3 LYS 44 27.833 -20.781 9.943 334 HE2 LYS 44 HE2 LYS 44 29.023 -22.321 11.063 335 HE3 LYS 44 HE3 LYS 44 29.700 -21.130 12.172 336 HZ1 LYS 44 HZ1 LYS 44 27.457 -22.876 12.524 337 HZ2 LYS 44 HZ2 LYS 44 27.081 -21.268 12.889 338 HZ3 LYS 44 HZ3 LYS 44 28.363 -22.037 13.681 339 H GLU 45 H GLU 45 32.340 -17.650 7.881 340 HA GLU 45 HA GLU 45 31.809 -15.112 9.211 341 HB2 GLU 45 HB2 GLU 45 33.532 -16.024 7.045 342 HB3 GLU 45 HB3 GLU 45 32.674 -14.544 6.638 343 HG2 GLU 45 HG2 GLU 45 33.609 -13.382 8.465 344 HG3 GLU 45 HG3 GLU 45 34.216 -14.869 9.192 345 H SER 46 H SER 46 30.057 -13.915 8.853 346 HA SER 46 HA SER 46 28.266 -14.708 6.658 347 HB2 SER 46 HB2 SER 46 27.066 -12.936 8.618 348 HB3 SER 46 HB3 SER 46 26.553 -14.541 8.099 349 HG SER 46 HG SER 46 27.609 -15.428 9.729 350 H CYS 47 H CYS 47 27.306 -13.137 5.348 351 HA CYS 47 HA CYS 47 28.677 -10.530 5.375 352 HB2 CYS 47 HB2 CYS 47 28.946 -12.195 3.391 353 HB3 CYS 47 HB3 CYS 47 27.325 -11.671 2.949 354 H PHE 48 H PHE 48 27.456 -8.881 5.978 355 HA PHE 48 HA PHE 48 24.544 -9.069 5.612 356 HB2 PHE 48 HB2 PHE 48 24.577 -7.150 7.345 357 HB3 PHE 48 HB3 PHE 48 24.924 -8.783 7.904 358 HD1 PHE 48 HD2 PHE 48 27.235 -9.442 8.440 359 HD2 PHE 48 HD1 PHE 48 26.220 -5.436 7.423 360 HE1 PHE 48 HE2 PHE 48 29.370 -8.666 9.384 361 HE2 PHE 48 HE1 PHE 48 28.355 -4.653 8.364 362 HZ PHE 48 HZ PHE 48 29.932 -6.268 9.347 363 H CYS 49 H CYS 49 23.532 -7.697 4.290 364 HA CYS 49 HA CYS 49 24.989 -5.306 3.375 365 HB2 CYS 49 HB2 CYS 49 23.098 -6.727 1.542 366 HB3 CYS 49 HB3 CYS 49 24.474 -5.701 1.150 367 H TYR 50 H TYR 50 23.747 -3.476 2.911 368 HA TYR 50 HA TYR 50 20.990 -3.576 3.947 369 HB2 TYR 50 HB2 TYR 50 22.947 -1.270 4.012 370 HB3 TYR 50 HB3 TYR 50 21.292 -1.219 4.608 371 HD1 TYR 50 HD2 TYR 50 21.122 -3.837 5.990 372 HD2 TYR 50 HD1 TYR 50 24.240 -0.943 5.930 373 HE1 TYR 50 HE2 TYR 50 21.886 -4.625 8.191 374 HE2 TYR 50 HE1 TYR 50 25.014 -1.723 8.131 375 HH TYR 50 HH TYR 50 23.462 -3.183 10.215 376 H PHE 51 H PHE 51 19.370 -2.756 2.735 377 HA PHE 51 HA PHE 51 19.983 -1.129 0.396 378 HB2 PHE 51 HB2 PHE 51 20.070 -3.472 -0.399 379 HB3 PHE 51 HB3 PHE 51 18.427 -3.716 0.186 380 HD1 PHE 51 HD1 PHE 51 20.185 -1.141 -1.873 381 HD2 PHE 51 HD2 PHE 51 16.863 -3.772 -1.478 382 HE1 PHE 51 HE1 PHE 51 19.306 -0.350 -4.030 383 HE2 PHE 51 HE2 PHE 51 15.979 -2.986 -3.635 384 HZ PHE 51 HZ PHE 51 17.202 -1.273 -4.915 385 H ASP 52 H ASP 52 18.112 -0.088 -0.516 386 HA ASP 52 HA ASP 52 16.074 0.415 1.509 387 HB2 ASP 52 HB2 ASP 52 15.420 2.249 -0.201 388 HB3 ASP 52 HB3 ASP 52 16.919 2.439 0.705 389 H CYS 53 H CYS 53 14.006 -0.206 1.347 390 HA CYS 53 HA CYS 53 13.112 -1.374 -1.206 391 HB2 CYS 53 HB2 CYS 53 13.088 -2.484 1.526 392 HB3 CYS 53 HB3 CYS 53 11.580 -2.671 0.637 393 H SER 54 H SER 54 10.929 -1.104 -1.759 394 HA SER 54 HA SER 54 8.953 0.009 -1.935 395 HB2 SER 54 HB2 SER 54 9.312 0.304 1.056 396 HB3 SER 54 HB3 SER 54 7.837 0.721 0.184 397 HG SER 54 HG SER 54 8.124 -1.606 -0.618 398 H LYS 55 H LYS 55 10.202 1.951 0.744 399 HA LYS 55 HA LYS 55 10.732 4.164 -1.103 400 HB2 LYS 55 HB2 LYS 55 8.433 4.022 0.490 401 HB3 LYS 55 HB3 LYS 55 9.505 5.130 1.335 402 HG2 LYS 55 HG2 LYS 55 8.449 6.611 -0.015 403 HG3 LYS 55 HG3 LYS 55 9.765 6.148 -1.096 404 HD2 LYS 55 HD2 LYS 55 7.631 4.284 -1.407 405 HD3 LYS 55 HD3 LYS 55 6.974 5.919 -1.523 406 HE2 LYS 55 HE2 LYS 55 9.387 4.973 -3.058 407 HE3 LYS 55 HE3 LYS 55 7.744 4.915 -3.693 408 HZ1 LYS 55 HZ1 LYS 55 7.591 7.297 -3.486 409 HZ2 LYS 55 HZ2 LYS 55 8.955 6.902 -4.405 410 HZ3 LYS 55 HZ3 LYS 55 9.131 7.382 -2.792 411 H SER 56 H SER 56 11.346 2.483 1.841 412 HA SER 56 HA SER 56 12.925 2.696 3.475 413 HB2 SER 56 HB2 SER 56 15.172 3.167 2.693 414 HB3 SER 56 HB3 SER 56 14.331 2.214 1.471 415 HG SER 56 HG SER 56 15.131 4.890 1.414 416 HA PRO 57 HA PRO 57 11.892 7.132 4.281 417 HB2 PRO 57 HB2 PRO 57 10.883 6.675 6.759 418 HB3 PRO 57 HB3 PRO 57 9.915 6.534 5.287 419 HG2 PRO 57 HG2 PRO 57 11.234 4.385 6.900 420 HG3 PRO 57 HG3 PRO 57 9.616 4.406 6.174 421 HD2 PRO 57 HD2 PRO 57 11.705 3.109 5.040 422 HD3 PRO 57 HD3 PRO 57 10.410 3.856 4.081 423 HA PRO 58 HA PRO 58 15.360 8.109 6.801 424 HB2 PRO 58 HB2 PRO 58 14.443 10.125 8.371 425 HB3 PRO 58 HB3 PRO 58 14.759 10.321 6.643 426 HG2 PRO 58 HG2 PRO 58 12.160 9.851 8.053 427 HG3 PRO 58 HG3 PRO 58 12.526 10.966 6.723 428 HD2 PRO 58 HD2 PRO 58 11.315 8.576 6.330 429 HD3 PRO 58 HD3 PRO 58 12.402 9.305 5.130 430 H GLY 59 H GLY 59 15.231 5.985 7.898 431 HA2 GLY 59 HA2 GLY 59 14.873 6.388 10.771 432 HA3 GLY 59 HA3 GLY 59 13.945 5.095 10.026 433 H ALA 60 H ALA 60 14.829 3.172 10.320 434 HA ALA 60 HA ALA 60 17.416 2.478 9.518 435 HB1 ALA 60 HB1 ALA 60 17.538 2.142 12.409 436 HB2 ALA 60 HB2 ALA 60 18.759 2.735 11.282 437 HB3 ALA 60 HB3 ALA 60 17.527 3.832 11.905 438 H THR 61 H THR 61 18.023 0.363 11.165 439 HA THR 61 HA THR 61 17.474 -1.791 11.671 440 HB THR 61 HB THR 61 14.549 -1.116 11.612 441 HG1 THR 61 HG1 THR 61 16.385 -0.506 13.709 442 HG21 THR 61 HG21 THR 61 16.203 -3.285 12.551 443 HG22 THR 61 HG22 THR 61 14.447 -3.194 12.415 444 HG23 THR 61 HG23 THR 61 15.250 -2.608 13.871 445 HA PRO 62 HA PRO 62 16.317 -2.262 7.163 446 HB2 PRO 62 HB2 PRO 62 18.658 -3.415 6.413 447 HB3 PRO 62 HB3 PRO 62 18.410 -1.665 6.429 448 HG2 PRO 62 HG2 PRO 62 19.761 -3.405 8.456 449 HG3 PRO 62 HG3 PRO 62 20.263 -1.825 7.826 450 HD2 PRO 62 HD2 PRO 62 19.039 -2.116 10.224 451 HD3 PRO 62 HD3 PRO 62 18.821 -0.676 9.209 452 H ALA 63 H ALA 63 14.987 -3.951 6.987 453 HA ALA 63 HA ALA 63 15.867 -6.604 6.874 454 HB1 ALA 63 HB1 ALA 63 14.219 -7.028 9.065 455 HB2 ALA 63 HB2 ALA 63 15.975 -7.188 9.018 456 HB3 ALA 63 HB3 ALA 63 15.242 -5.671 9.540 457 HA PRO 64 HA PRO 64 11.961 -7.126 4.945 458 HB2 PRO 64 HB2 PRO 64 11.408 -9.736 5.446 459 HB3 PRO 64 HB3 PRO 64 12.661 -9.221 4.312 460 HG2 PRO 64 HG2 PRO 64 12.934 -10.131 7.151 461 HG3 PRO 64 HG3 PRO 64 13.929 -10.545 5.743 462 HD2 PRO 64 HD2 PRO 64 14.688 -8.697 7.570 463 HD3 PRO 64 HD3 PRO 64 15.128 -8.580 5.854 464 HA PRO 65 HA PRO 65 8.568 -6.726 7.712 465 HB2 PRO 65 HB2 PRO 65 6.552 -7.965 6.382 466 HB3 PRO 65 HB3 PRO 65 7.219 -6.407 5.880 467 HG2 PRO 65 HG2 PRO 65 7.795 -9.145 4.816 468 HG3 PRO 65 HG3 PRO 65 7.537 -7.632 3.929 469 HD2 PRO 65 HD2 PRO 65 10.004 -8.648 4.390 470 HD3 PRO 65 HD3 PRO 65 9.693 -6.903 4.296 471 H GLY 66 H GLY 66 9.689 -8.217 9.256 472 HA2 GLY 66 HA2 GLY 66 8.330 -9.797 10.768 473 HA3 GLY 66 HA3 GLY 66 8.424 -10.873 9.382 474 H ALA 67 H ALA 67 10.965 -8.727 10.565 475 HA ALA 67 HA ALA 67 12.417 -10.930 11.765 476 HB1 ALA 67 HB1 ALA 67 12.944 -11.096 9.348 477 HB2 ALA 67 HB2 ALA 67 13.619 -9.467 9.419 478 HB3 ALA 67 HB3 ALA 67 14.357 -10.768 10.353 479 H ALA 68 H ALA 68 13.561 -10.231 13.457 480 HA ALA 68 HA ALA 68 14.489 -7.450 13.516 481 HB1 ALA 68 HB1 ALA 68 12.381 -7.388 14.678 482 HB2 ALA 68 HB2 ALA 68 12.852 -8.758 15.684 483 HB3 ALA 68 HB3 ALA 68 13.690 -7.215 15.847 484 HA PRO 69 HA PRO 69 17.719 -10.483 14.900 485 HB2 PRO 69 HB2 PRO 69 19.712 -9.391 13.416 486 HB3 PRO 69 HB3 PRO 69 18.603 -10.613 12.784 487 HG2 PRO 69 HG2 PRO 69 18.544 -7.640 12.435 488 HG3 PRO 69 HG3 PRO 69 18.259 -8.913 11.234 489 HD2 PRO 69 HD2 PRO 69 16.241 -7.564 12.433 490 HD3 PRO 69 HD3 PRO 69 16.090 -9.260 11.931 491 HA PRO 70 HA PRO 70 19.626 -7.883 17.890 492 HB2 PRO 70 HB2 PRO 70 22.136 -8.904 18.061 493 HB3 PRO 70 HB3 PRO 70 20.712 -9.743 18.689 494 HG2 PRO 70 HG2 PRO 70 22.172 -10.160 16.109 495 HG3 PRO 70 HG3 PRO 70 21.534 -11.367 17.241 496 HD2 PRO 70 HD2 PRO 70 20.243 -10.683 14.961 497 HD3 PRO 70 HD3 PRO 70 19.383 -11.169 16.436 498 HA PRO 71 HA PRO 71 21.959 -4.598 16.130 499 HB2 PRO 71 HB2 PRO 71 23.572 -3.843 18.178 500 HB3 PRO 71 HB3 PRO 71 21.832 -3.534 18.162 501 HG2 PRO 71 HG2 PRO 71 23.357 -5.708 19.543 502 HG3 PRO 71 HG3 PRO 71 22.014 -4.723 20.152 503 HD2 PRO 71 HD2 PRO 71 21.671 -7.250 19.241 504 HD3 PRO 71 HD3 PRO 71 20.425 -5.997 19.073 505 H ALA 72 H ALA 72 24.449 -3.717 16.329 506 HA ALA 72 HA ALA 72 26.604 -4.018 15.660 507 HB1 ALA 72 HB1 ALA 72 26.224 -5.885 17.621 508 HB2 ALA 72 HB2 ALA 72 26.808 -6.866 16.276 509 HB3 ALA 72 HB3 ALA 72 27.768 -5.506 16.857 510 H ALA 73 H ALA 73 26.804 -3.914 13.518 511 HA ALA 73 HA ALA 73 27.008 -6.252 11.936 512 HB1 ALA 73 HB1 ALA 73 25.106 -5.654 10.365 513 HB2 ALA 73 HB2 ALA 73 24.658 -6.383 11.908 514 HB3 ALA 73 HB3 ALA 73 24.484 -4.644 11.670 515 H GLY 74 H GLY 74 28.990 -4.804 11.915 516 HA2 GLY 74 HA2 GLY 74 28.828 -3.100 9.524 517 HA3 GLY 74 HA3 GLY 74 29.578 -2.462 10.980 518 H GLY 75 H GLY 75 30.575 -3.163 8.189 519 HA2 GLY 75 HA2 GLY 75 33.037 -4.426 9.125 520 HA3 GLY 75 HA3 GLY 75 32.173 -5.240 7.829 521 H SER 76 H SER 76 34.066 -4.930 6.525 522 HA SER 76 HA SER 76 35.374 -3.855 4.999 523 HB2 SER 76 HB2 SER 76 32.891 -3.504 4.199 524 HB3 SER 76 HB3 SER 76 33.213 -1.818 4.602 525 HG SER 76 HG SER 76 34.085 -1.762 2.692 526 HA PRO 77 HA PRO 77 36.452 -0.515 8.077 527 HB2 PRO 77 HB2 PRO 77 38.937 -1.464 8.618 528 HB3 PRO 77 HB3 PRO 77 37.495 -1.995 9.491 529 HG2 PRO 77 HG2 PRO 77 38.943 -3.330 7.237 530 HG3 PRO 77 HG3 PRO 77 38.277 -4.044 8.717 531 HD2 PRO 77 HD2 PRO 77 37.002 -4.182 6.333 532 HD3 PRO 77 HD3 PRO 77 36.132 -4.096 7.878 533 H SER 78 H SER 78 38.146 -1.994 5.375 534 HA SER 78 HA SER 78 38.669 0.418 4.069 535 HB2 SER 78 HB2 SER 78 40.718 -0.422 6.026 536 HB3 SER 78 HB3 SER 78 41.331 0.013 4.430 537 HG SER 78 HG SER 78 40.250 2.013 4.644 538 HA PRO 79 HA PRO 79 39.150 -3.534 1.686 539 HB2 PRO 79 HB2 PRO 79 37.373 -2.852 -0.249 540 HB3 PRO 79 HB3 PRO 79 36.894 -3.632 1.263 541 HG2 PRO 79 HG2 PRO 79 36.778 -0.738 0.505 542 HG3 PRO 79 HG3 PRO 79 35.572 -1.721 1.356 543 HD2 PRO 79 HD2 PRO 79 37.250 -0.032 2.647 544 HD3 PRO 79 HD3 PRO 79 36.669 -1.543 3.375 545 HA PRO 80 HA PRO 80 41.867 -1.959 -1.391 546 HB2 PRO 80 HB2 PRO 80 41.451 -3.644 -3.479 547 HB3 PRO 80 HB3 PRO 80 42.294 -4.132 -2.004 548 HG2 PRO 80 HG2 PRO 80 39.448 -4.604 -2.803 549 HG3 PRO 80 HG3 PRO 80 40.598 -5.722 -2.046 550 HD2 PRO 80 HD2 PRO 80 38.682 -4.426 -0.637 551 HD3 PRO 80 HD3 PRO 80 40.263 -4.840 0.057 552 H ALA 81 H ALA 81 41.853 -1.608 -3.976 553 HA ALA 81 HA ALA 81 39.541 0.134 -4.473 554 HB1 ALA 81 HB1 ALA 81 41.800 1.159 -4.476 555 HB2 ALA 81 HB2 ALA 81 42.217 0.151 -5.862 556 HB3 ALA 81 HB3 ALA 81 40.937 1.356 -6.002 557 H ASP 82 H ASP 82 39.643 0.446 -7.167 558 HA ASP 82 HA ASP 82 38.160 -1.675 -8.154 559 HB2 ASP 82 HB2 ASP 82 38.464 0.716 -9.090 560 HB3 ASP 82 HB3 ASP 82 39.843 0.047 -9.958 561 H GLY 83 H GLY 83 38.925 -3.714 -8.079 562 HA2 GLY 83 HA2 GLY 83 40.164 -5.559 -8.654 563 HA3 GLY 83 HA3 GLY 83 40.774 -4.608 -10.000 564 H GLY 84 H GLY 84 41.390 -5.778 -6.800 565 HA2 GLY 84 HA2 GLY 84 44.199 -5.019 -7.115 566 HA3 GLY 84 HA3 GLY 84 43.368 -4.467 -5.668 567 H SER 85 H SER 85 45.225 -5.760 -4.744 568 HA SER 85 HA SER 85 44.260 -8.115 -3.590 569 HB2 SER 85 HB2 SER 85 46.268 -9.493 -4.798 570 HB3 SER 85 HB3 SER 85 44.585 -9.544 -5.325 571 HG SER 85 HG SER 85 45.325 -8.797 -7.137 572 HA PRO 86 HA PRO 86 47.911 -6.013 -1.633 573 HB2 PRO 86 HB2 PRO 86 46.716 -5.676 0.782 574 HB3 PRO 86 HB3 PRO 86 46.556 -4.513 -0.540 575 HG2 PRO 86 HG2 PRO 86 44.662 -6.661 0.335 576 HG3 PRO 86 HG3 PRO 86 44.314 -4.989 -0.144 577 HD2 PRO 86 HD2 PRO 86 43.960 -7.088 -1.818 578 HD3 PRO 86 HD3 PRO 86 44.432 -5.476 -2.394 579 HA PRO 87 HA PRO 87 49.426 -9.533 0.523 580 HB2 PRO 87 HB2 PRO 87 50.827 -8.428 2.569 581 HB3 PRO 87 HB3 PRO 87 51.371 -8.365 0.888 582 HG2 PRO 87 HG2 PRO 87 49.965 -6.273 2.503 583 HG3 PRO 87 HG3 PRO 87 51.331 -6.094 1.386 584 HD2 PRO 87 HD2 PRO 87 48.786 -5.488 0.686 585 HD3 PRO 87 HD3 PRO 87 49.973 -6.116 -0.476 586 HA PRO 88 HA PRO 88 46.930 -10.710 3.946 587 HB2 PRO 88 HB2 PRO 88 48.610 -12.259 5.411 588 HB3 PRO 88 HB3 PRO 88 47.936 -12.774 3.860 589 HG2 PRO 88 HG2 PRO 88 50.635 -11.629 4.466 590 HG3 PRO 88 HG3 PRO 88 50.207 -12.984 3.404 591 HD2 PRO 88 HD2 PRO 88 50.743 -10.504 2.457 592 HD3 PRO 88 HD3 PRO 88 49.581 -11.595 1.674 593 HA PRO 89 HA PRO 89 47.493 -8.171 7.491 594 HB2 PRO 89 HB2 PRO 89 46.496 -9.707 9.495 595 HB3 PRO 89 HB3 PRO 89 45.476 -8.952 8.265 596 HG2 PRO 89 HG2 PRO 89 46.479 -11.768 8.426 597 HG3 PRO 89 HG3 PRO 89 44.865 -11.178 7.987 598 HD2 PRO 89 HD2 PRO 89 46.685 -11.955 6.139 599 HD3 PRO 89 HD3 PRO 89 45.500 -10.669 5.831 600 H ALA 90 H ALA 90 48.407 -11.542 8.227 601 HA ALA 90 HA ALA 90 50.671 -10.499 9.798 602 HB1 ALA 90 HB1 ALA 90 49.931 -11.844 11.403 603 HB2 ALA 90 HB2 ALA 90 48.742 -12.573 10.323 604 HB3 ALA 90 HB3 ALA 90 50.384 -13.212 10.384 605 H ASP 91 H ASP 91 49.709 -12.674 7.232 606 HA ASP 91 HA ASP 91 50.914 -13.607 5.533 607 HB2 ASP 91 HB2 ASP 91 52.265 -11.408 5.831 608 HB3 ASP 91 HB3 ASP 91 53.451 -12.434 6.633 609 H GLY 92 H GLY 92 53.284 -13.544 8.201 610 HA2 GLY 92 HA2 GLY 92 52.937 -16.388 8.649 611 HA3 GLY 92 HA3 GLY 92 54.476 -15.938 7.930 612 H GLY 93 H GLY 93 52.624 -14.125 10.338 613 HA2 GLY 93 HA2 GLY 93 53.367 -14.682 12.744 614 HA3 GLY 93 HA3 GLY 93 54.964 -14.305 12.114 615 H SER 94 H SER 94 54.377 -12.848 14.174 616 HA SER 94 HA SER 94 54.017 -10.755 15.000 617 HB2 SER 94 HB2 SER 94 55.298 -10.477 12.413 618 HB3 SER 94 HB3 SER 94 54.300 -9.071 12.784 619 HG SER 94 HG SER 94 55.740 -8.487 14.184 620 HA PRO 95 HA PRO 95 52.684 -10.780 16.376 621 HB2 PRO 95 HB2 PRO 95 50.453 -11.985 17.346 622 HB3 PRO 95 HB3 PRO 95 50.682 -10.233 17.362 623 HG2 PRO 95 HG2 PRO 95 49.125 -11.922 15.443 624 HG3 PRO 95 HG3 PRO 95 48.685 -10.369 16.178 625 HD2 PRO 95 HD2 PRO 95 49.632 -10.567 13.649 626 HD3 PRO 95 HD3 PRO 95 49.952 -9.158 14.681 627 HA PRO 96 HA PRO 96 53.778 -14.989 15.713 628 HB2 PRO 96 HB2 PRO 96 54.031 -15.894 18.260 629 HB3 PRO 96 HB3 PRO 96 55.192 -14.789 17.513 630 HG2 PRO 96 HG2 PRO 96 52.935 -14.184 19.384 631 HG3 PRO 96 HG3 PRO 96 54.588 -13.541 19.380 632 HD2 PRO 96 HD2 PRO 96 52.484 -12.160 18.380 633 HD3 PRO 96 HD3 PRO 96 54.124 -12.016 17.715 634 H VAL 97 H VAL 97 52.443 -16.504 14.966 635 HA VAL 97 HA VAL 97 50.806 -18.083 14.850 636 HB VAL 97 HB VAL 97 50.489 -17.784 17.835 637 HG11 VAL 97 HG11 VAL 97 48.767 -19.148 17.148 638 HG12 VAL 97 HG12 VAL 97 49.692 -19.822 15.805 639 HG13 VAL 97 HG13 VAL 97 50.037 -20.331 17.459 640 HG21 VAL 97 HG21 VAL 97 52.701 -18.280 17.847 641 HG22 VAL 97 HG22 VAL 97 52.087 -19.918 17.618 642 HG23 VAL 97 HG23 VAL 97 52.665 -18.991 16.233 643 H ASP 98 H ASP 98 48.528 -18.287 14.764 644 HA ASP 98 HA ASP 98 46.443 -17.446 14.392 645 HB2 ASP 98 HB2 ASP 98 46.872 -17.417 17.063 646 HB3 ASP 98 HB3 ASP 98 46.526 -15.712 16.789 647 H GLY 99 H GLY 99 45.188 -15.077 14.851 648 HA2 GLY 99 HA2 GLY 99 45.020 -12.889 14.156 649 HA3 GLY 99 HA3 GLY 99 46.774 -12.798 14.213 650 H GLY 100 H GLY 100 44.200 -14.293 12.244 651 HA2 GLY 100 HA2 GLY 100 45.268 -13.086 9.854 652 HA3 GLY 100 HA3 GLY 100 45.531 -14.821 9.935 653 H SER 101 H SER 101 43.303 -15.877 10.891 654 HA SER 101 HA SER 101 41.208 -16.553 10.319 655 HB2 SER 101 HB2 SER 101 41.050 -13.582 10.149 656 HB3 SER 101 HB3 SER 101 39.717 -14.510 9.460 657 HG SER 101 HG SER 101 39.339 -14.045 11.651 658 HA PRO 102 HA PRO 102 42.499 -16.583 5.835 659 HB2 PRO 102 HB2 PRO 102 42.829 -19.273 5.689 660 HB3 PRO 102 HB3 PRO 102 44.117 -18.174 6.196 661 HG2 PRO 102 HG2 PRO 102 42.283 -19.846 7.871 662 HG3 PRO 102 HG3 PRO 102 44.027 -19.576 8.049 663 HD2 PRO 102 HD2 PRO 102 42.191 -18.275 9.555 664 HD3 PRO 102 HD3 PRO 102 43.734 -17.536 9.081 665 HA PRO 103 HA PRO 103 42.662 -18.275 3.964 666 HB2 PRO 103 HB2 PRO 103 41.630 -17.604 1.544 667 HB3 PRO 103 HB3 PRO 103 41.581 -19.250 2.186 668 HG2 PRO 103 HG2 PRO 103 39.439 -17.159 2.172 669 HG3 PRO 103 HG3 PRO 103 39.313 -18.892 1.818 670 HD2 PRO 103 HD2 PRO 103 38.594 -17.837 4.206 671 HD3 PRO 103 HD3 PRO 103 39.266 -19.473 4.048 672 HA PRO 104 HA PRO 104 43.749 -14.019 3.770 673 HB2 PRO 104 HB2 PRO 104 45.377 -13.913 1.599 674 HB3 PRO 104 HB3 PRO 104 45.854 -14.675 3.121 675 HG2 PRO 104 HG2 PRO 104 44.829 -15.940 0.610 676 HG3 PRO 104 HG3 PRO 104 46.158 -16.460 1.662 677 HD2 PRO 104 HD2 PRO 104 43.699 -17.589 1.756 678 HD3 PRO 104 HD3 PRO 104 44.734 -17.435 3.190 679 HA PRO 105 HA PRO 105 41.256 -11.690 0.997 680 HB2 PRO 105 HB2 PRO 105 42.759 -9.473 0.554 681 HB3 PRO 105 HB3 PRO 105 41.955 -9.796 2.094 682 HG2 PRO 105 HG2 PRO 105 44.811 -10.242 1.318 683 HG3 PRO 105 HG3 PRO 105 44.152 -9.574 2.823 684 HD2 PRO 105 HD2 PRO 105 44.995 -12.139 2.614 685 HD3 PRO 105 HD3 PRO 105 43.659 -11.656 3.679 686 H SER 106 H SER 106 44.666 -11.623 -0.053 687 HA SER 106 HA SER 106 43.770 -11.653 -2.843 688 HB2 SER 106 HB2 SER 106 45.979 -10.925 -3.435 689 HB3 SER 106 HB3 SER 106 45.461 -9.951 -2.059 690 HG SER 106 HG SER 106 47.665 -11.237 -2.199 691 H THR 107 H THR 107 45.414 -12.917 -4.304 692 HA THR 107 HA THR 107 45.020 -15.632 -3.891 693 HB THR 107 HB THR 107 47.229 -15.644 -5.494 694 HG1 THR 107 HG1 THR 107 47.395 -13.756 -6.555 695 HG21 THR 107 HG21 THR 107 44.583 -14.819 -6.633 696 HG22 THR 107 HG22 THR 107 44.763 -16.386 -5.844 697 HG23 THR 107 HG23 THR 107 45.748 -15.989 -7.251 698 H HIS 108 H HIS 108 46.267 -17.303 -3.113 699 HA HIS 108 HA HIS 108 48.884 -16.709 -1.973 700 HB2 HIS 108 HB2 HIS 108 46.892 -16.418 -0.273 701 HB3 HIS 108 HB3 HIS 108 46.949 -18.177 -0.225 702 HD1 HIS 108 HD1 HIS 108 48.376 -19.040 1.587 703 HD2 HIS 108 HD2 HIS 108 49.695 -15.343 0.226 704 HE1 HIS 108 HE1 HIS 108 50.361 -18.466 3.019 Start of MODEL 10 1 H1 ALA 1 H ALA 1 2.667 3.229 3.367 2 HA ALA 1 HA ALA 1 1.762 1.625 1.631 3 HB1 ALA 1 HB1 ALA 1 1.653 4.255 0.182 4 HB2 ALA 1 HB2 ALA 1 1.673 2.708 -0.665 5 HB3 ALA 1 HB3 ALA 1 0.355 3.090 0.443 6 H GLY 2 H GLY 2 3.636 0.524 1.736 7 HA2 GLY 2 HA2 GLY 2 5.655 -0.149 0.742 8 HA3 GLY 2 HA3 GLY 2 5.836 1.464 0.069 9 H SER 3 H SER 3 7.760 2.154 0.770 10 HA SER 3 HA SER 3 9.484 2.703 2.156 11 HB2 SER 3 HB2 SER 3 7.215 3.074 4.128 12 HB3 SER 3 HB3 SER 3 8.840 3.736 4.299 13 HG SER 3 HG SER 3 7.421 5.277 3.420 14 H LYS 4 H LYS 4 10.512 0.703 2.244 15 HA LYS 4 HA LYS 4 10.451 -0.559 4.858 16 HB2 LYS 4 HB2 LYS 4 8.955 -1.695 2.839 17 HB3 LYS 4 HB3 LYS 4 10.472 -2.578 2.738 18 HG2 LYS 4 HG2 LYS 4 9.006 -2.224 5.332 19 HG3 LYS 4 HG3 LYS 4 8.655 -3.550 4.220 20 HD2 LYS 4 HD2 LYS 4 11.345 -3.734 4.366 21 HD3 LYS 4 HD3 LYS 4 10.983 -3.106 5.976 22 HE2 LYS 4 HE2 LYS 4 10.957 -5.469 6.148 23 HE3 LYS 4 HE3 LYS 4 9.275 -4.944 6.185 24 HZ1 LYS 4 HZ1 LYS 4 10.646 -6.574 4.249 25 HZ2 LYS 4 HZ2 LYS 4 9.716 -5.345 3.552 26 HZ3 LYS 4 HZ3 LYS 4 8.994 -6.465 4.594 27 H LEU 5 H LEU 5 12.328 -1.791 5.320 28 HA LEU 5 HA LEU 5 14.593 -1.111 3.585 29 HB2 LEU 5 HB2 LEU 5 14.206 -1.402 6.475 30 HB3 LEU 5 HB3 LEU 5 15.690 -2.131 5.864 31 HG LEU 5 HG LEU 5 15.676 0.379 4.706 32 HD11 LEU 5 HD11 LEU 5 13.766 0.883 6.296 33 HD12 LEU 5 HD12 LEU 5 15.149 1.976 6.351 34 HD13 LEU 5 HD13 LEU 5 14.948 0.745 7.598 35 HD21 LEU 5 HD21 LEU 5 17.443 0.851 6.423 36 HD22 LEU 5 HD22 LEU 5 17.650 -0.658 5.534 37 HD23 LEU 5 HD23 LEU 5 17.021 -0.684 7.182 38 H CYS 6 H CYS 6 16.005 -2.644 2.821 39 HA CYS 6 HA CYS 6 15.236 -5.455 3.264 40 HB2 CYS 6 HB2 CYS 6 16.122 -4.067 0.737 41 HB3 CYS 6 HB3 CYS 6 16.165 -5.819 0.914 42 H GLU 7 H GLU 7 16.775 -6.748 4.031 43 HA GLU 7 HA GLU 7 19.588 -5.980 3.662 44 HB2 GLU 7 HB2 GLU 7 19.174 -5.277 5.877 45 HB3 GLU 7 HB3 GLU 7 18.197 -6.695 6.232 46 HG2 GLU 7 HG2 GLU 7 19.970 -7.926 6.803 47 HG3 GLU 7 HG3 GLU 7 20.951 -7.310 5.474 48 H LYS 8 H LYS 8 20.980 -7.629 3.264 49 HA LYS 8 HA LYS 8 19.789 -10.304 3.013 50 HB2 LYS 8 HB2 LYS 8 22.255 -9.151 1.695 51 HB3 LYS 8 HB3 LYS 8 21.622 -10.770 1.431 52 HG2 LYS 8 HG2 LYS 8 20.662 -9.787 -0.350 53 HG3 LYS 8 HG3 LYS 8 19.435 -9.340 0.838 54 HD2 LYS 8 HD2 LYS 8 20.922 -7.245 1.208 55 HD3 LYS 8 HD3 LYS 8 21.611 -7.668 -0.362 56 HE2 LYS 8 HE2 LYS 8 19.836 -6.084 -0.697 57 HE3 LYS 8 HE3 LYS 8 19.319 -7.653 -1.312 58 HZ1 LYS 8 HZ1 LYS 8 18.489 -7.660 1.280 59 HZ2 LYS 8 HZ2 LYS 8 17.516 -7.352 -0.069 60 HZ3 LYS 8 HZ3 LYS 8 18.200 -6.066 0.791 61 H THR 9 H THR 9 21.036 -12.158 3.614 62 HA THR 9 HA THR 9 23.067 -11.586 5.673 63 HB THR 9 HB THR 9 21.596 -14.139 5.887 64 HG1 THR 9 HG1 THR 9 20.361 -11.629 6.446 65 HG21 THR 9 HG21 THR 9 23.287 -13.439 7.519 66 HG22 THR 9 HG22 THR 9 21.699 -13.594 8.270 67 HG23 THR 9 HG23 THR 9 22.340 -11.997 7.883 68 H SER 10 H SER 10 23.794 -11.949 3.019 69 HA SER 10 HA SER 10 25.177 -13.147 1.666 70 HB2 SER 10 HB2 SER 10 26.703 -13.026 3.549 71 HB3 SER 10 HB3 SER 10 25.922 -14.409 4.316 72 HG SER 10 HG SER 10 26.643 -15.696 2.592 73 H LYS 11 H LYS 11 22.648 -14.033 1.494 74 HA LYS 11 HA LYS 11 22.633 -16.929 1.817 75 HB2 LYS 11 HB2 LYS 11 20.602 -14.829 1.359 76 HB3 LYS 11 HB3 LYS 11 20.282 -16.378 0.591 77 HG2 LYS 11 HG2 LYS 11 19.231 -16.208 2.790 78 HG3 LYS 11 HG3 LYS 11 20.429 -17.503 2.733 79 HD2 LYS 11 HD2 LYS 11 21.569 -14.958 3.561 80 HD3 LYS 11 HD3 LYS 11 20.274 -15.501 4.631 81 HE2 LYS 11 HE2 LYS 11 22.706 -17.094 3.824 82 HE3 LYS 11 HE3 LYS 11 22.441 -16.324 5.387 83 HZ1 LYS 11 HZ1 LYS 11 21.730 -18.406 5.871 84 HZ2 LYS 11 HZ2 LYS 11 21.251 -18.752 4.286 85 HZ3 LYS 11 HZ3 LYS 11 20.270 -17.793 5.275 86 H THR 12 H THR 12 24.551 -16.071 0.016 87 HA THR 12 HA THR 12 24.081 -17.677 -2.202 88 HB THR 12 HB THR 12 22.476 -16.142 -3.048 89 HG1 THR 12 HG1 THR 12 23.664 -16.670 -4.780 90 HG21 THR 12 HG21 THR 12 22.481 -14.010 -2.405 91 HG22 THR 12 HG22 THR 12 23.890 -13.725 -3.426 92 HG23 THR 12 HG23 THR 12 24.104 -14.190 -1.739 93 H TYR 13 H TYR 13 25.749 -14.967 -0.785 94 HA TYR 13 HA TYR 13 27.879 -14.527 -2.417 95 HB2 TYR 13 HB2 TYR 13 27.611 -13.318 -0.337 96 HB3 TYR 13 HB3 TYR 13 27.900 -14.783 0.596 97 HD1 TYR 13 HD2 TYR 13 29.578 -12.684 -2.004 98 HD2 TYR 13 HD1 TYR 13 30.015 -15.119 1.458 99 HE1 TYR 13 HE2 TYR 13 31.982 -12.168 -1.952 100 HE2 TYR 13 HE1 TYR 13 32.421 -14.609 1.520 101 HH TYR 13 HH TYR 13 34.067 -13.198 -1.055 102 H SER 14 H SER 14 28.305 -16.699 0.363 103 HA SER 14 HA SER 14 29.661 -18.509 0.662 104 HB2 SER 14 HB2 SER 14 27.934 -19.018 -1.577 105 HB3 SER 14 HB3 SER 14 29.484 -19.818 -1.843 106 HG SER 14 HG SER 14 27.624 -20.183 0.236 107 H GLY 15 H GLY 15 31.642 -17.414 0.766 108 HA2 GLY 15 HA2 GLY 15 33.493 -18.139 -1.321 109 HA3 GLY 15 HA3 GLY 15 33.221 -16.407 -1.204 110 H LYS 16 H LYS 16 35.449 -16.161 -0.667 111 HA LYS 16 HA LYS 16 36.416 -17.323 1.803 112 HB2 LYS 16 HB2 LYS 16 38.507 -16.187 1.293 113 HB3 LYS 16 HB3 LYS 16 37.924 -17.050 -0.125 114 HG2 LYS 16 HG2 LYS 16 37.113 -14.988 -1.091 115 HG3 LYS 16 HG3 LYS 16 37.583 -14.097 0.359 116 HD2 LYS 16 HD2 LYS 16 39.930 -14.714 -0.048 117 HD3 LYS 16 HD3 LYS 16 39.441 -15.555 -1.521 118 HE2 LYS 16 HE2 LYS 16 39.785 -13.624 -2.581 119 HE3 LYS 16 HE3 LYS 16 38.315 -13.048 -1.797 120 HZ1 LYS 16 HZ1 LYS 16 39.565 -12.051 -0.082 121 HZ2 LYS 16 HZ2 LYS 16 40.329 -11.607 -1.524 122 HZ3 LYS 16 HZ3 LYS 16 40.995 -12.821 -0.553 123 H CYS 17 H CYS 17 34.321 -14.945 1.246 124 HA CYS 17 HA CYS 17 33.561 -13.144 2.408 125 HB2 CYS 17 HB2 CYS 17 33.490 -14.534 4.334 126 HB3 CYS 17 HB3 CYS 17 35.239 -14.484 4.525 127 H ASP 18 H ASP 18 34.377 -11.425 1.313 128 HA ASP 18 HA ASP 18 36.887 -10.286 2.350 129 HB2 ASP 18 HB2 ASP 18 36.526 -11.236 -0.225 130 HB3 ASP 18 HB3 ASP 18 36.258 -9.502 -0.392 131 H ASN 19 H ASN 19 36.912 -7.873 1.161 132 HA ASN 19 HA ASN 19 34.645 -6.554 2.431 133 HB2 ASN 19 HB2 ASN 19 36.689 -5.578 3.073 134 HB3 ASN 19 HB3 ASN 19 37.321 -5.608 1.430 135 HD21 ASN 19 HD22 ASN 19 37.471 -3.675 0.583 136 HD22 ASN 19 HD21 ASN 19 36.388 -2.354 0.847 137 H LYS 20 H LYS 20 36.452 -5.853 -0.560 138 HA LYS 20 HA LYS 20 34.261 -4.552 -1.794 139 HB2 LYS 20 HB2 LYS 20 36.853 -4.458 -2.274 140 HB3 LYS 20 HB3 LYS 20 36.475 -5.746 -3.410 141 HG2 LYS 20 HG2 LYS 20 34.580 -3.660 -3.769 142 HG3 LYS 20 HG3 LYS 20 36.198 -2.954 -3.753 143 HD2 LYS 20 HD2 LYS 20 36.848 -4.060 -5.644 144 HD3 LYS 20 HD3 LYS 20 35.778 -5.431 -5.341 145 HE2 LYS 20 HE2 LYS 20 34.682 -4.463 -7.096 146 HE3 LYS 20 HE3 LYS 20 33.909 -3.615 -5.758 147 HZ1 LYS 20 HZ1 LYS 20 35.875 -2.625 -7.696 148 HZ2 LYS 20 HZ2 LYS 20 35.858 -1.948 -6.146 149 HZ3 LYS 20 HZ3 LYS 20 34.471 -1.882 -7.113 150 H LYS 21 H LYS 21 35.536 -7.833 -1.976 151 HA LYS 21 HA LYS 21 34.020 -8.756 -4.139 152 HB2 LYS 21 HB2 LYS 21 35.000 -10.278 -1.716 153 HB3 LYS 21 HB3 LYS 21 34.413 -11.013 -3.202 154 HG2 LYS 21 HG2 LYS 21 36.860 -9.287 -2.894 155 HG3 LYS 21 HG3 LYS 21 36.818 -11.029 -3.181 156 HD2 LYS 21 HD2 LYS 21 37.090 -10.390 -5.333 157 HD3 LYS 21 HD3 LYS 21 35.338 -10.186 -5.262 158 HE2 LYS 21 HE2 LYS 21 35.603 -8.045 -5.786 159 HE3 LYS 21 HE3 LYS 21 36.466 -7.807 -4.267 160 HZ1 LYS 21 HZ1 LYS 21 37.892 -8.873 -6.611 161 HZ2 LYS 21 HZ2 LYS 21 38.502 -8.011 -5.290 162 HZ3 LYS 21 HZ3 LYS 21 37.612 -7.209 -6.485 163 H CYS 22 H CYS 22 33.287 -8.652 -0.677 164 HA CYS 22 HA CYS 22 30.772 -9.973 -0.918 165 HB2 CYS 22 HB2 CYS 22 31.905 -10.014 1.205 166 HB3 CYS 22 HB3 CYS 22 31.952 -8.255 1.270 167 H ASP 23 H ASP 23 31.607 -6.566 -0.265 168 HA ASP 23 HA ASP 23 29.054 -5.505 -0.372 169 HB2 ASP 23 HB2 ASP 23 31.394 -4.414 0.155 170 HB3 ASP 23 HB3 ASP 23 31.328 -3.955 -1.545 171 H LYS 24 H LYS 24 31.341 -6.058 -3.021 172 HA LYS 24 HA LYS 24 29.759 -4.907 -5.056 173 HB2 LYS 24 HB2 LYS 24 32.084 -5.245 -5.477 174 HB3 LYS 24 HB3 LYS 24 31.966 -6.963 -5.119 175 HG2 LYS 24 HG2 LYS 24 30.639 -7.313 -7.120 176 HG3 LYS 24 HG3 LYS 24 30.680 -5.583 -7.468 177 HD2 LYS 24 HD2 LYS 24 32.684 -5.749 -8.432 178 HD3 LYS 24 HD3 LYS 24 33.341 -6.639 -7.056 179 HE2 LYS 24 HE2 LYS 24 31.915 -8.602 -8.105 180 HE3 LYS 24 HE3 LYS 24 32.117 -7.649 -9.574 181 HZ1 LYS 24 HZ1 LYS 24 33.852 -9.421 -9.053 182 HZ2 LYS 24 HZ2 LYS 24 34.429 -8.352 -7.877 183 HZ3 LYS 24 HZ3 LYS 24 34.414 -7.890 -9.504 184 H LYS 25 H LYS 25 30.136 -8.271 -3.975 185 HA LYS 25 HA LYS 25 28.397 -9.437 -5.841 186 HB2 LYS 25 HB2 LYS 25 29.798 -10.912 -4.660 187 HB3 LYS 25 HB3 LYS 25 29.325 -10.253 -3.100 188 HG2 LYS 25 HG2 LYS 25 27.215 -11.529 -4.743 189 HG3 LYS 25 HG3 LYS 25 28.421 -12.576 -3.990 190 HD2 LYS 25 HD2 LYS 25 27.707 -12.105 -1.876 191 HD3 LYS 25 HD3 LYS 25 27.183 -10.474 -2.299 192 HE2 LYS 25 HE2 LYS 25 25.247 -11.408 -3.474 193 HE3 LYS 25 HE3 LYS 25 25.773 -13.035 -3.047 194 HZ1 LYS 25 HZ1 LYS 25 25.382 -12.613 -0.771 195 HZ2 LYS 25 HZ2 LYS 25 24.011 -12.056 -1.590 196 HZ3 LYS 25 HZ3 LYS 25 25.164 -10.955 -1.026 197 H CYS 26 H CYS 26 27.786 -7.619 -2.962 198 HA CYS 26 HA CYS 26 25.134 -8.531 -2.485 199 HB2 CYS 26 HB2 CYS 26 26.715 -6.128 -1.609 200 HB3 CYS 26 HB3 CYS 26 25.002 -6.266 -1.227 201 H ILE 27 H ILE 27 26.410 -5.576 -4.015 202 HA ILE 27 HA ILE 27 23.804 -4.759 -4.911 203 HB ILE 27 HB ILE 27 26.453 -3.676 -5.858 204 HG12 ILE 27 HG12 ILE 27 25.258 -2.028 -3.856 205 HG13 ILE 27 HG13 ILE 27 25.395 -3.661 -3.214 206 HG21 ILE 27 HG21 ILE 27 24.994 -2.597 -7.198 207 HG22 ILE 27 HG22 ILE 27 23.628 -2.888 -6.123 208 HG23 ILE 27 HG23 ILE 27 24.762 -1.584 -5.773 209 HD11 ILE 27 HD11 ILE 27 27.435 -2.927 -2.620 210 HD12 ILE 27 HD12 ILE 27 27.838 -3.391 -4.274 211 HD13 ILE 27 HD13 ILE 27 27.488 -1.706 -3.891 212 H GLU 28 H GLU 28 26.225 -6.849 -6.082 213 HA GLU 28 HA GLU 28 25.539 -6.559 -8.876 214 HB2 GLU 28 HB2 GLU 28 27.437 -8.273 -7.319 215 HB3 GLU 28 HB3 GLU 28 27.007 -8.735 -8.960 216 HG2 GLU 28 HG2 GLU 28 27.738 -5.934 -8.749 217 HG3 GLU 28 HG3 GLU 28 29.024 -7.017 -8.220 218 H TRP 29 H TRP 29 25.017 -8.928 -6.296 219 HA TRP 29 HA TRP 29 23.166 -10.385 -8.049 220 HB2 TRP 29 HB2 TRP 29 24.720 -11.144 -5.598 221 HB3 TRP 29 HB3 TRP 29 23.275 -12.051 -6.035 222 HD1 TRP 29 HD1 TRP 29 26.006 -10.727 -8.443 223 HE1 TRP 29 HE1 TRP 29 26.973 -12.737 -9.728 224 HE3 TRP 29 HE3 TRP 29 23.461 -14.490 -6.098 225 HZ2 TRP 29 HZ2 TRP 29 26.693 -15.546 -9.745 226 HZ3 TRP 29 HZ3 TRP 29 23.868 -16.810 -6.809 227 HH2 TRP 29 HH2 TRP 29 25.450 -17.325 -8.595 228 H GLU 30 H GLU 30 23.397 -9.148 -4.716 229 HA GLU 30 HA GLU 30 20.538 -9.414 -4.345 230 HB2 GLU 30 HB2 GLU 30 22.412 -8.008 -2.460 231 HB3 GLU 30 HB3 GLU 30 20.905 -8.837 -2.093 232 HG2 GLU 30 HG2 GLU 30 23.456 -10.162 -2.984 233 HG3 GLU 30 HG3 GLU 30 22.859 -10.087 -1.327 234 H LYS 31 H LYS 31 22.421 -7.234 -5.904 235 HA LYS 31 HA LYS 31 22.270 -5.011 -6.439 236 HB2 LYS 31 HB2 LYS 31 19.302 -5.492 -6.199 237 HB3 LYS 31 HB3 LYS 31 20.126 -4.363 -7.266 238 HG2 LYS 31 HG2 LYS 31 20.092 -7.364 -7.447 239 HG3 LYS 31 HG3 LYS 31 19.393 -6.203 -8.578 240 HD2 LYS 31 HD2 LYS 31 22.330 -6.577 -7.994 241 HD3 LYS 31 HD3 LYS 31 21.481 -7.105 -9.449 242 HE2 LYS 31 HE2 LYS 31 21.880 -4.265 -8.516 243 HE3 LYS 31 HE3 LYS 31 22.660 -5.042 -9.892 244 HZ1 LYS 31 HZ1 LYS 31 19.989 -5.387 -10.340 245 HZ2 LYS 31 HZ2 LYS 31 20.987 -4.247 -11.093 246 HZ3 LYS 31 HZ3 LYS 31 20.088 -3.813 -9.726 247 H ALA 32 H ALA 32 22.531 -5.502 -3.618 248 HA ALA 32 HA ALA 32 20.742 -3.738 -2.222 249 HB1 ALA 32 HB1 ALA 32 21.908 -4.312 -0.272 250 HB2 ALA 32 HB2 ALA 32 21.944 -5.773 -1.259 251 HB3 ALA 32 HB3 ALA 32 23.368 -4.737 -1.165 252 H GLN 33 H GLN 33 22.365 -2.315 -0.536 253 HA GLN 33 HA GLN 33 23.527 -0.340 -2.373 254 HB2 GLN 33 HB2 GLN 33 21.876 -0.155 0.002 255 HB3 GLN 33 HB3 GLN 33 23.333 0.815 0.163 256 HG2 GLN 33 HG2 GLN 33 22.178 1.198 -2.433 257 HG3 GLN 33 HG3 GLN 33 20.971 1.475 -1.179 258 HE21 GLN 33 HE22 GLN 33 22.696 3.187 -3.072 259 HE22 GLN 33 HE21 GLN 33 23.280 4.444 -2.041 260 H HIS 34 H HIS 34 24.109 -1.907 0.762 261 HA HIS 34 HA HIS 34 26.987 -1.643 0.282 262 HB2 HIS 34 HB2 HIS 34 26.100 0.199 1.823 263 HB3 HIS 34 HB3 HIS 34 25.808 -1.079 2.999 264 HD1 HIS 34 HD1 HIS 34 28.550 0.853 1.361 265 HD2 HIS 34 HD2 HIS 34 28.106 -2.149 4.198 266 HE1 HIS 34 HE1 HIS 34 30.798 0.637 2.468 267 H GLY 35 H GLY 35 28.286 -3.096 1.640 268 HA2 GLY 35 HA2 GLY 35 26.826 -5.300 2.884 269 HA3 GLY 35 HA3 GLY 35 27.817 -5.693 1.487 270 H ALA 36 H ALA 36 27.990 -6.457 4.379 271 HA ALA 36 HA ALA 36 30.838 -5.846 4.683 272 HB1 ALA 36 HB1 ALA 36 28.690 -5.040 6.519 273 HB2 ALA 36 HB2 ALA 36 30.082 -5.812 7.281 274 HB3 ALA 36 HB3 ALA 36 30.306 -4.369 6.292 275 H CYS 37 H CYS 37 31.961 -7.340 6.108 276 HA CYS 37 HA CYS 37 30.568 -9.925 6.365 277 HB2 CYS 37 HB2 CYS 37 32.510 -9.556 4.588 278 HB3 CYS 37 HB3 CYS 37 33.527 -9.845 5.996 279 H HIS 38 H HIS 38 31.142 -11.242 8.135 280 HA HIS 38 HA HIS 38 32.961 -10.219 10.140 281 HB2 HIS 38 HB2 HIS 38 30.549 -9.190 10.402 282 HB3 HIS 38 HB3 HIS 38 30.183 -10.761 11.109 283 HD1 HIS 38 HD1 HIS 38 31.932 -7.565 11.786 284 HD2 HIS 38 HD2 HIS 38 31.517 -11.299 13.560 285 HE1 HIS 38 HE1 HIS 38 32.787 -7.292 14.135 286 H LYS 39 H LYS 39 33.686 -11.784 11.549 287 HA LYS 39 HA LYS 39 32.947 -14.524 10.840 288 HB2 LYS 39 HB2 LYS 39 35.014 -15.189 11.913 289 HB3 LYS 39 HB3 LYS 39 35.336 -13.877 10.788 290 HG2 LYS 39 HG2 LYS 39 36.496 -13.012 12.494 291 HG3 LYS 39 HG3 LYS 39 34.912 -12.492 13.074 292 HD2 LYS 39 HD2 LYS 39 34.813 -14.769 14.253 293 HD3 LYS 39 HD3 LYS 39 36.548 -14.856 13.941 294 HE2 LYS 39 HE2 LYS 39 36.404 -13.938 16.082 295 HE3 LYS 39 HE3 LYS 39 36.666 -12.543 15.037 296 HZ1 LYS 39 HZ1 LYS 39 34.848 -12.416 16.816 297 HZ2 LYS 39 HZ2 LYS 39 33.935 -13.380 15.769 298 HZ3 LYS 39 HZ3 LYS 39 34.480 -11.861 15.261 299 H ARG 40 H ARG 40 31.870 -15.844 12.173 300 HA ARG 40 HA ARG 40 31.848 -15.429 15.029 301 HB2 ARG 40 HB2 ARG 40 29.632 -14.544 13.320 302 HB3 ARG 40 HB3 ARG 40 29.138 -15.605 14.632 303 HG2 ARG 40 HG2 ARG 40 30.982 -13.545 15.513 304 HG3 ARG 40 HG3 ARG 40 29.516 -12.884 14.786 305 HD2 ARG 40 HD2 ARG 40 28.157 -14.259 16.287 306 HD3 ARG 40 HD3 ARG 40 29.624 -14.916 17.012 307 HE ARG 40 HE ARG 40 29.923 -12.255 17.351 308 HH11 ARG 40 HH12 ARG 40 27.330 -14.465 18.067 309 HH12 ARG 40 HH11 ARG 40 26.762 -13.561 19.431 310 HH21 ARG 40 HH22 ARG 40 29.185 -11.056 19.145 311 HH22 ARG 40 HH21 ARG 40 27.817 -11.621 20.043 312 H GLU 41 H GLU 41 30.036 -17.043 15.955 313 HA GLU 41 HA GLU 41 29.438 -19.214 16.283 314 HB2 GLU 41 HB2 GLU 41 29.819 -19.743 13.351 315 HB3 GLU 41 HB3 GLU 41 28.663 -20.468 14.459 316 HG2 GLU 41 HG2 GLU 41 28.591 -17.771 13.171 317 HG3 GLU 41 HG3 GLU 41 27.381 -19.052 13.138 318 H ALA 42 H ALA 42 30.260 -21.583 15.089 319 HA ALA 42 HA ALA 42 32.586 -22.218 16.371 320 HB1 ALA 42 HB1 ALA 42 31.644 -23.431 13.775 321 HB2 ALA 42 HB2 ALA 42 32.734 -24.175 14.945 322 HB3 ALA 42 HB3 ALA 42 31.054 -23.863 15.381 323 H GLY 43 H GLY 43 32.226 -20.794 13.173 324 HA2 GLY 43 HA2 GLY 43 34.580 -19.436 13.061 325 HA3 GLY 43 HA3 GLY 43 35.019 -21.048 12.517 326 H LYS 44 H LYS 44 31.944 -19.437 11.921 327 HA LYS 44 HA LYS 44 32.567 -19.502 9.044 328 HB2 LYS 44 HB2 LYS 44 30.201 -19.724 8.626 329 HB3 LYS 44 HB3 LYS 44 30.692 -20.953 9.784 330 HG2 LYS 44 HG2 LYS 44 29.936 -19.097 11.514 331 HG3 LYS 44 HG3 LYS 44 28.942 -18.588 10.147 332 HD2 LYS 44 HD2 LYS 44 27.653 -20.108 11.470 333 HD3 LYS 44 HD3 LYS 44 28.107 -20.938 9.980 334 HE2 LYS 44 HE2 LYS 44 30.162 -21.404 11.865 335 HE3 LYS 44 HE3 LYS 44 28.627 -21.686 12.686 336 HZ1 LYS 44 HZ1 LYS 44 28.553 -22.845 10.118 337 HZ2 LYS 44 HZ2 LYS 44 28.419 -23.601 11.624 338 HZ3 LYS 44 HZ3 LYS 44 29.942 -23.379 10.923 339 H GLU 45 H GLU 45 32.420 -17.681 7.848 340 HA GLU 45 HA GLU 45 31.897 -15.192 9.292 341 HB2 GLU 45 HB2 GLU 45 33.597 -15.985 7.038 342 HB3 GLU 45 HB3 GLU 45 32.759 -14.459 6.790 343 HG2 GLU 45 HG2 GLU 45 33.830 -13.428 8.554 344 HG3 GLU 45 HG3 GLU 45 34.226 -14.955 9.340 345 H SER 46 H SER 46 30.126 -14.013 8.970 346 HA SER 46 HA SER 46 28.361 -14.755 6.735 347 HB2 SER 46 HB2 SER 46 27.090 -13.118 8.759 348 HB3 SER 46 HB3 SER 46 26.643 -14.722 8.179 349 HG SER 46 HG SER 46 27.580 -15.582 9.858 350 H CYS 47 H CYS 47 27.608 -13.230 5.340 351 HA CYS 47 HA CYS 47 28.725 -10.521 5.646 352 HB2 CYS 47 HB2 CYS 47 28.831 -12.369 3.478 353 HB3 CYS 47 HB3 CYS 47 27.866 -10.989 2.968 354 H PHE 48 H PHE 48 27.311 -8.970 6.062 355 HA PHE 48 HA PHE 48 24.493 -9.397 5.328 356 HB2 PHE 48 HB2 PHE 48 24.157 -7.511 7.082 357 HB3 PHE 48 HB3 PHE 48 24.519 -9.139 7.646 358 HD1 PHE 48 HD2 PHE 48 26.736 -9.681 8.532 359 HD2 PHE 48 HD1 PHE 48 25.700 -5.716 7.383 360 HE1 PHE 48 HE2 PHE 48 28.670 -8.816 9.784 361 HE2 PHE 48 HE1 PHE 48 27.633 -4.845 8.632 362 HZ PHE 48 HZ PHE 48 29.120 -6.396 9.835 363 H CYS 49 H CYS 49 23.363 -7.839 4.223 364 HA CYS 49 HA CYS 49 24.892 -5.496 3.305 365 HB2 CYS 49 HB2 CYS 49 22.890 -6.884 1.544 366 HB3 CYS 49 HB3 CYS 49 24.181 -5.778 1.087 367 H TYR 50 H TYR 50 23.725 -3.599 2.952 368 HA TYR 50 HA TYR 50 20.968 -3.619 3.993 369 HB2 TYR 50 HB2 TYR 50 21.953 -2.409 5.656 370 HB3 TYR 50 HB3 TYR 50 23.291 -1.893 4.635 371 HD1 TYR 50 HD2 TYR 50 19.578 -1.407 4.697 372 HD2 TYR 50 HD1 TYR 50 23.421 0.379 4.315 373 HE1 TYR 50 HE2 TYR 50 18.521 0.799 4.437 374 HE2 TYR 50 HE1 TYR 50 22.375 2.590 4.056 375 HH TYR 50 HH TYR 50 20.057 3.446 3.246 376 H PHE 51 H PHE 51 19.432 -2.693 2.777 377 HA PHE 51 HA PHE 51 20.113 -0.755 0.732 378 HB2 PHE 51 HB2 PHE 51 20.448 -2.683 -0.598 379 HB3 PHE 51 HB3 PHE 51 19.053 -3.502 0.096 380 HD1 PHE 51 HD1 PHE 51 20.030 -0.633 -2.042 381 HD2 PHE 51 HD2 PHE 51 16.968 -3.374 -0.933 382 HE1 PHE 51 HE1 PHE 51 18.639 0.173 -3.904 383 HE2 PHE 51 HE2 PHE 51 15.572 -2.572 -2.794 384 HZ PHE 51 HZ PHE 51 16.408 -0.797 -4.283 385 H ASP 52 H ASP 52 18.450 0.606 0.249 386 HA ASP 52 HA ASP 52 16.117 0.444 1.954 387 HB2 ASP 52 HB2 ASP 52 15.575 2.673 0.839 388 HB3 ASP 52 HB3 ASP 52 17.050 2.614 1.800 389 H CYS 53 H CYS 53 14.164 -0.255 1.377 390 HA CYS 53 HA CYS 53 13.682 -0.801 -1.477 391 HB2 CYS 53 HB2 CYS 53 12.944 -2.246 1.025 392 HB3 CYS 53 HB3 CYS 53 11.828 -2.328 -0.334 393 H SER 54 H SER 54 11.695 -0.272 -2.397 394 HA SER 54 HA SER 54 9.871 1.031 -2.783 395 HB2 SER 54 HB2 SER 54 9.481 0.562 0.180 396 HB3 SER 54 HB3 SER 54 8.280 1.325 -0.862 397 HG SER 54 HG SER 54 8.390 -0.641 -2.145 398 H LYS 55 H LYS 55 10.374 2.218 0.504 399 HA LYS 55 HA LYS 55 11.685 4.626 -0.378 400 HB2 LYS 55 HB2 LYS 55 8.851 4.573 -0.302 401 HB3 LYS 55 HB3 LYS 55 9.385 5.536 1.069 402 HG2 LYS 55 HG2 LYS 55 9.540 7.240 -0.341 403 HG3 LYS 55 HG3 LYS 55 10.958 6.436 -1.019 404 HD2 LYS 55 HD2 LYS 55 9.454 6.975 -2.812 405 HD3 LYS 55 HD3 LYS 55 9.446 5.224 -2.582 406 HE2 LYS 55 HE2 LYS 55 7.263 5.223 -2.149 407 HE3 LYS 55 HE3 LYS 55 7.443 6.492 -0.938 408 HZ1 LYS 55 HZ1 LYS 55 6.537 7.930 -2.332 409 HZ2 LYS 55 HZ2 LYS 55 6.296 6.696 -3.464 410 HZ3 LYS 55 HZ3 LYS 55 7.717 7.614 -3.503 411 H SER 56 H SER 56 12.298 2.522 1.451 412 HA SER 56 HA SER 56 11.779 2.940 4.110 413 HB2 SER 56 HB2 SER 56 13.214 1.225 4.231 414 HB3 SER 56 HB3 SER 56 13.752 1.536 2.581 415 HG SER 56 HG SER 56 15.415 2.686 3.317 416 HA PRO 57 HA PRO 57 13.465 6.850 5.204 417 HB2 PRO 57 HB2 PRO 57 13.953 6.417 7.840 418 HB3 PRO 57 HB3 PRO 57 12.324 6.625 7.186 419 HG2 PRO 57 HG2 PRO 57 13.775 4.102 7.887 420 HG3 PRO 57 HG3 PRO 57 12.088 4.549 8.206 421 HD2 PRO 57 HD2 PRO 57 12.803 2.920 6.164 422 HD3 PRO 57 HD3 PRO 57 11.412 4.019 6.067 423 HA PRO 58 HA PRO 58 17.861 6.804 5.261 424 HB2 PRO 58 HB2 PRO 58 18.488 8.820 6.966 425 HB3 PRO 58 HB3 PRO 58 17.812 9.099 5.357 426 HG2 PRO 58 HG2 PRO 58 16.435 9.088 8.015 427 HG3 PRO 58 HG3 PRO 58 16.237 10.211 6.657 428 HD2 PRO 58 HD2 PRO 58 14.497 8.194 7.145 429 HD3 PRO 58 HD3 PRO 58 14.854 8.771 5.505 430 H GLY 59 H GLY 59 16.124 6.032 8.059 431 HA2 GLY 59 HA2 GLY 59 18.569 4.924 9.282 432 HA3 GLY 59 HA3 GLY 59 17.385 5.774 10.264 433 H ALA 60 H ALA 60 16.742 4.118 11.562 434 HA ALA 60 HA ALA 60 15.554 2.289 12.214 435 HB1 ALA 60 HB1 ALA 60 14.383 1.645 9.617 436 HB2 ALA 60 HB2 ALA 60 13.602 2.011 11.156 437 HB3 ALA 60 HB3 ALA 60 14.145 3.322 10.109 438 H THR 61 H THR 61 15.242 -0.100 11.747 439 HA THR 61 HA THR 61 17.672 -1.119 10.437 440 HB THR 61 HB THR 61 17.051 -3.225 11.862 441 HG1 THR 61 HG1 THR 61 15.224 -2.765 12.895 442 HG21 THR 61 HG21 THR 61 19.080 -2.247 12.386 443 HG22 THR 61 HG22 THR 61 18.185 -2.027 13.890 444 HG23 THR 61 HG23 THR 61 18.350 -0.686 12.758 445 HA PRO 62 HA PRO 62 15.270 -3.221 7.412 446 HB2 PRO 62 HB2 PRO 62 16.941 -5.284 6.843 447 HB3 PRO 62 HB3 PRO 62 17.252 -3.623 6.322 448 HG2 PRO 62 HG2 PRO 62 18.382 -5.120 8.655 449 HG3 PRO 62 HG3 PRO 62 19.207 -4.050 7.507 450 HD2 PRO 62 HD2 PRO 62 18.464 -3.237 9.980 451 HD3 PRO 62 HD3 PRO 62 18.499 -2.140 8.584 452 H ALA 63 H ALA 63 14.236 -5.293 6.937 453 HA ALA 63 HA ALA 63 12.984 -7.106 7.509 454 HB1 ALA 63 HB1 ALA 63 15.515 -7.694 8.328 455 HB2 ALA 63 HB2 ALA 63 14.593 -7.923 9.815 456 HB3 ALA 63 HB3 ALA 63 14.155 -8.817 8.359 457 HA PRO 64 HA PRO 64 10.267 -5.989 10.768 458 HB2 PRO 64 HB2 PRO 64 9.251 -8.386 11.538 459 HB3 PRO 64 HB3 PRO 64 8.832 -7.613 10.004 460 HG2 PRO 64 HG2 PRO 64 10.806 -9.797 10.547 461 HG3 PRO 64 HG3 PRO 64 9.634 -9.651 9.224 462 HD2 PRO 64 HD2 PRO 64 12.258 -9.056 8.917 463 HD3 PRO 64 HD3 PRO 64 10.976 -8.212 8.025 464 HA PRO 65 HA PRO 65 12.056 -6.388 14.765 465 HB2 PRO 65 HB2 PRO 65 9.885 -6.475 16.392 466 HB3 PRO 65 HB3 PRO 65 10.397 -5.007 15.553 467 HG2 PRO 65 HG2 PRO 65 8.246 -6.955 14.819 468 HG3 PRO 65 HG3 PRO 65 8.216 -5.183 14.766 469 HD2 PRO 65 HD2 PRO 65 8.616 -6.700 12.559 470 HD3 PRO 65 HD3 PRO 65 9.354 -5.098 12.764 471 H GLY 66 H GLY 66 13.096 -8.188 15.365 472 HA2 GLY 66 HA2 GLY 66 12.061 -10.179 16.941 473 HA3 GLY 66 HA3 GLY 66 11.868 -10.777 15.299 474 H ALA 67 H ALA 67 14.162 -9.859 14.092 475 HA ALA 67 HA ALA 67 16.506 -10.414 15.608 476 HB1 ALA 67 HB1 ALA 67 16.086 -12.671 15.600 477 HB2 ALA 67 HB2 ALA 67 15.266 -12.625 14.039 478 HB3 ALA 67 HB3 ALA 67 17.023 -12.502 14.115 479 H ALA 68 H ALA 68 17.003 -8.411 14.571 480 HA ALA 68 HA ALA 68 18.513 -8.720 12.187 481 HB1 ALA 68 HB1 ALA 68 16.500 -8.645 10.975 482 HB2 ALA 68 HB2 ALA 68 15.850 -7.346 11.976 483 HB3 ALA 68 HB3 ALA 68 17.173 -7.019 10.857 484 HA PRO 69 HA PRO 69 19.654 -5.236 15.038 485 HB2 PRO 69 HB2 PRO 69 22.257 -5.968 15.269 486 HB3 PRO 69 HB3 PRO 69 20.982 -6.614 16.308 487 HG2 PRO 69 HG2 PRO 69 22.254 -7.835 13.889 488 HG3 PRO 69 HG3 PRO 69 21.836 -8.594 15.436 489 HD2 PRO 69 HD2 PRO 69 20.298 -8.854 13.223 490 HD3 PRO 69 HD3 PRO 69 19.617 -8.833 14.862 491 HA PRO 70 HA PRO 70 21.497 -2.658 11.990 492 HB2 PRO 70 HB2 PRO 70 23.200 -1.126 13.447 493 HB3 PRO 70 HB3 PRO 70 21.443 -0.949 13.525 494 HG2 PRO 70 HG2 PRO 70 23.286 -2.392 15.391 495 HG3 PRO 70 HG3 PRO 70 21.911 -1.338 15.769 496 HD2 PRO 70 HD2 PRO 70 21.739 -4.039 15.841 497 HD3 PRO 70 HD3 PRO 70 20.367 -3.006 15.391 498 HA PRO 71 HA PRO 71 25.372 -4.144 10.537 499 HB2 PRO 71 HB2 PRO 71 26.482 -1.935 9.416 500 HB3 PRO 71 HB3 PRO 71 25.108 -2.787 8.702 501 HG2 PRO 71 HG2 PRO 71 25.135 -0.303 10.372 502 HG3 PRO 71 HG3 PRO 71 24.201 -0.656 8.907 503 HD2 PRO 71 HD2 PRO 71 23.134 -0.819 11.391 504 HD3 PRO 71 HD3 PRO 71 22.618 -1.873 10.059 505 H ALA 72 H ALA 72 27.730 -3.935 10.700 506 HA ALA 72 HA ALA 72 28.679 -2.243 12.894 507 HB1 ALA 72 HB1 ALA 72 29.905 -4.173 13.872 508 HB2 ALA 72 HB2 ALA 72 28.150 -4.303 14.001 509 HB3 ALA 72 HB3 ALA 72 29.016 -5.236 12.780 510 H ALA 73 H ALA 73 30.481 -1.233 12.319 511 HA ALA 73 HA ALA 73 32.375 -0.651 11.197 512 HB1 ALA 73 HB1 ALA 73 32.974 -2.927 12.327 513 HB2 ALA 73 HB2 ALA 73 32.983 -3.524 10.667 514 HB3 ALA 73 HB3 ALA 73 34.064 -2.213 11.138 515 H GLY 74 H GLY 74 33.708 -1.393 9.043 516 HA2 GLY 74 HA2 GLY 74 32.449 -2.516 6.866 517 HA3 GLY 74 HA3 GLY 74 31.886 -0.852 6.910 518 H GLY 75 H GLY 75 33.215 -1.611 4.711 519 HA2 GLY 75 HA2 GLY 75 34.987 -1.058 3.362 520 HA3 GLY 75 HA3 GLY 75 35.298 0.239 4.506 521 H SER 76 H SER 76 35.737 -3.279 4.167 522 HA SER 76 HA SER 76 37.376 -4.673 4.936 523 HB2 SER 76 HB2 SER 76 39.622 -4.043 4.299 524 HB3 SER 76 HB3 SER 76 38.509 -3.458 3.063 525 HG SER 76 HG SER 76 39.793 -1.750 3.490 526 HA PRO 77 HA PRO 77 37.602 -2.497 9.058 527 HB2 PRO 77 HB2 PRO 77 36.267 -4.422 10.430 528 HB3 PRO 77 HB3 PRO 77 35.451 -3.084 9.613 529 HG2 PRO 77 HG2 PRO 77 35.846 -5.907 8.696 530 HG3 PRO 77 HG3 PRO 77 34.398 -4.888 8.589 531 HD2 PRO 77 HD2 PRO 77 36.056 -5.288 6.486 532 HD3 PRO 77 HD3 PRO 77 35.169 -3.769 6.727 533 H SER 78 H SER 78 38.449 -5.577 7.760 534 HA SER 78 HA SER 78 39.997 -7.153 8.321 535 HB2 SER 78 HB2 SER 78 41.557 -5.361 7.899 536 HB3 SER 78 HB3 SER 78 41.293 -4.690 9.508 537 HG SER 78 HG SER 78 42.647 -7.050 8.771 538 HA PRO 79 HA PRO 79 38.255 -7.557 12.622 539 HB2 PRO 79 HB2 PRO 79 37.043 -9.944 12.168 540 HB3 PRO 79 HB3 PRO 79 36.263 -8.392 11.839 541 HG2 PRO 79 HG2 PRO 79 37.638 -10.259 9.946 542 HG3 PRO 79 HG3 PRO 79 36.116 -9.373 9.736 543 HD2 PRO 79 HD2 PRO 79 38.451 -8.538 8.647 544 HD3 PRO 79 HD3 PRO 79 37.190 -7.410 9.184 545 HA PRO 80 HA PRO 80 41.328 -10.326 14.112 546 HB2 PRO 80 HB2 PRO 80 40.058 -11.595 16.149 547 HB3 PRO 80 HB3 PRO 80 40.559 -9.902 16.235 548 HG2 PRO 80 HG2 PRO 80 37.862 -11.051 15.629 549 HG3 PRO 80 HG3 PRO 80 38.285 -9.674 16.663 550 HD2 PRO 80 HD2 PRO 80 37.344 -9.367 14.143 551 HD3 PRO 80 HD3 PRO 80 38.498 -8.234 14.876 552 H ALA 81 H ALA 81 41.509 -12.752 14.968 553 HA ALA 81 HA ALA 81 39.872 -14.555 13.354 554 HB1 ALA 81 HB1 ALA 81 41.813 -13.926 11.955 555 HB2 ALA 81 HB2 ALA 81 42.883 -14.577 13.197 556 HB3 ALA 81 HB3 ALA 81 41.769 -15.646 12.344 557 H ASP 82 H ASP 82 39.129 -15.983 14.770 558 HA ASP 82 HA ASP 82 39.023 -17.522 16.442 559 HB2 ASP 82 HB2 ASP 82 41.580 -17.863 15.237 560 HB3 ASP 82 HB3 ASP 82 41.777 -18.049 16.978 561 H GLY 83 H GLY 83 39.821 -17.993 18.741 562 HA2 GLY 83 HA2 GLY 83 40.404 -15.402 20.032 563 HA3 GLY 83 HA3 GLY 83 39.416 -16.667 20.747 564 H GLY 84 H GLY 84 41.309 -15.721 22.332 565 HA2 GLY 84 HA2 GLY 84 42.750 -16.962 23.780 566 HA3 GLY 84 HA3 GLY 84 43.255 -17.924 22.398 567 H SER 85 H SER 85 43.040 -14.511 21.980 568 HA SER 85 HA SER 85 45.602 -13.742 22.839 569 HB2 SER 85 HB2 SER 85 46.408 -13.484 20.300 570 HB3 SER 85 HB3 SER 85 46.771 -14.920 21.258 571 HG SER 85 HG SER 85 45.437 -16.058 20.071 572 HA PRO 86 HA PRO 86 42.598 -10.446 21.509 573 HB2 PRO 86 HB2 PRO 86 42.598 -9.148 23.893 574 HB3 PRO 86 HB3 PRO 86 41.512 -10.495 23.533 575 HG2 PRO 86 HG2 PRO 86 44.086 -10.493 25.062 576 HG3 PRO 86 HG3 PRO 86 42.561 -11.318 25.438 577 HD2 PRO 86 HD2 PRO 86 44.670 -12.594 24.317 578 HD3 PRO 86 HD3 PRO 86 42.988 -13.045 23.972 579 HA PRO 87 HA PRO 87 45.608 -7.335 20.739 580 HB2 PRO 87 HB2 PRO 87 44.185 -5.040 21.016 581 HB3 PRO 87 HB3 PRO 87 43.973 -6.143 19.651 582 HG2 PRO 87 HG2 PRO 87 42.332 -5.872 22.140 583 HG3 PRO 87 HG3 PRO 87 41.794 -6.078 20.463 584 HD2 PRO 87 HD2 PRO 87 41.874 -8.128 22.231 585 HD3 PRO 87 HD3 PRO 87 42.162 -8.354 20.493 586 HA PRO 88 HA PRO 88 47.418 -5.694 24.394 587 HB2 PRO 88 HB2 PRO 88 48.478 -3.346 23.538 588 HB3 PRO 88 HB3 PRO 88 49.144 -4.921 23.090 589 HG2 PRO 88 HG2 PRO 88 47.333 -3.117 21.532 590 HG3 PRO 88 HG3 PRO 88 48.747 -4.032 20.978 591 HD2 PRO 88 HD2 PRO 88 46.209 -4.880 20.564 592 HD3 PRO 88 HD3 PRO 88 47.562 -6.002 20.809 593 HA PRO 89 HA PRO 89 44.839 -2.822 26.499 594 HB2 PRO 89 HB2 PRO 89 46.593 -1.486 28.082 595 HB3 PRO 89 HB3 PRO 89 46.127 -3.166 28.370 596 HG2 PRO 89 HG2 PRO 89 48.580 -2.082 27.040 597 HG3 PRO 89 HG3 PRO 89 48.435 -3.407 28.210 598 HD2 PRO 89 HD2 PRO 89 48.695 -3.834 25.548 599 HD3 PRO 89 HD3 PRO 89 47.765 -4.918 26.603 600 H ALA 90 H ALA 90 44.246 -0.598 26.734 601 HA ALA 90 HA ALA 90 45.014 1.012 24.483 602 HB1 ALA 90 HB1 ALA 90 43.060 1.368 26.731 603 HB2 ALA 90 HB2 ALA 90 43.408 2.671 25.593 604 HB3 ALA 90 HB3 ALA 90 42.742 1.145 25.010 605 H ASP 91 H ASP 91 44.730 2.056 27.869 606 HA ASP 91 HA ASP 91 47.427 2.806 28.189 607 HB2 ASP 91 HB2 ASP 91 46.964 5.335 28.181 608 HB3 ASP 91 HB3 ASP 91 47.160 4.539 26.622 609 H GLY 92 H GLY 92 47.536 4.606 30.033 610 HA2 GLY 92 HA2 GLY 92 45.481 5.031 31.826 611 HA3 GLY 92 HA3 GLY 92 46.158 3.467 32.255 612 H GLY 93 H GLY 93 46.580 6.884 32.336 613 HA2 GLY 93 HA2 GLY 93 48.874 6.513 34.123 614 HA3 GLY 93 HA3 GLY 93 49.069 7.583 32.743 615 H SER 94 H SER 94 48.443 9.652 32.922 616 HA SER 94 HA SER 94 47.682 11.587 33.845 617 HB2 SER 94 HB2 SER 94 45.632 9.976 35.357 618 HB3 SER 94 HB3 SER 94 45.498 11.625 34.745 619 HG SER 94 HG SER 94 44.582 9.573 33.559 620 HA PRO 95 HA PRO 95 49.190 12.730 34.142 621 HB2 PRO 95 HB2 PRO 95 51.855 12.881 34.636 622 HB3 PRO 95 HB3 PRO 95 50.675 13.953 35.399 623 HG2 PRO 95 HG2 PRO 95 51.980 11.490 36.491 624 HG3 PRO 95 HG3 PRO 95 51.678 13.044 37.290 625 HD2 PRO 95 HD2 PRO 95 50.105 10.876 37.681 626 HD3 PRO 95 HD3 PRO 95 49.474 12.535 37.727 627 HA PRO 96 HA PRO 96 50.615 9.572 31.432 628 HB2 PRO 96 HB2 PRO 96 51.998 11.014 29.595 629 HB3 PRO 96 HB3 PRO 96 50.234 11.037 29.704 630 HG2 PRO 96 HG2 PRO 96 52.223 13.008 30.763 631 HG3 PRO 96 HG3 PRO 96 50.684 13.307 29.935 632 HD2 PRO 96 HD2 PRO 96 50.948 13.479 32.624 633 HD3 PRO 96 HD3 PRO 96 49.443 12.952 31.845 634 H VAL 97 H VAL 97 52.063 8.255 32.449 635 HA VAL 97 HA VAL 97 54.895 9.062 32.323 636 HB VAL 97 HB VAL 97 53.676 7.285 34.439 637 HG11 VAL 97 HG11 VAL 97 56.341 7.657 33.574 638 HG12 VAL 97 HG12 VAL 97 56.186 8.429 35.153 639 HG13 VAL 97 HG13 VAL 97 55.761 6.729 34.956 640 HG21 VAL 97 HG21 VAL 97 54.407 10.203 34.496 641 HG22 VAL 97 HG22 VAL 97 52.845 9.467 34.853 642 HG23 VAL 97 HG23 VAL 97 54.203 9.233 35.954 643 H ASP 98 H ASP 98 55.611 7.972 30.581 644 HA ASP 98 HA ASP 98 56.249 6.240 29.252 645 HB2 ASP 98 HB2 ASP 98 55.624 4.305 31.459 646 HB3 ASP 98 HB3 ASP 98 56.937 4.265 30.286 647 H GLY 99 H GLY 99 55.446 3.772 28.716 648 HA2 GLY 99 HA2 GLY 99 52.504 3.869 28.550 649 HA3 GLY 99 HA3 GLY 99 53.468 3.597 27.106 650 H GLY 100 H GLY 100 51.902 1.665 27.213 651 HA2 GLY 100 HA2 GLY 100 51.591 -0.591 27.512 652 HA3 GLY 100 HA3 GLY 100 53.343 -0.664 27.624 653 H SER 101 H SER 101 54.269 -1.125 29.540 654 HA SER 101 HA SER 101 54.481 -1.748 31.718 655 HB2 SER 101 HB2 SER 101 52.071 -0.374 32.701 656 HB3 SER 101 HB3 SER 101 53.748 -0.227 33.227 657 HG SER 101 HG SER 101 54.127 1.230 31.621 658 HA PRO 102 HA PRO 102 51.863 -5.194 32.430 659 HB2 PRO 102 HB2 PRO 102 51.975 -5.468 35.129 660 HB3 PRO 102 HB3 PRO 102 53.335 -5.854 34.066 661 HG2 PRO 102 HG2 PRO 102 52.839 -3.388 35.689 662 HG3 PRO 102 HG3 PRO 102 54.345 -4.298 35.469 663 HD2 PRO 102 HD2 PRO 102 53.815 -2.011 34.120 664 HD3 PRO 102 HD3 PRO 102 54.779 -3.329 33.424 665 HA PRO 103 HA PRO 103 50.828 -6.761 34.123 666 HB2 PRO 103 HB2 PRO 103 48.564 -8.084 33.419 667 HB3 PRO 103 HB3 PRO 103 48.873 -7.517 35.064 668 HG2 PRO 103 HG2 PRO 103 47.203 -6.272 32.914 669 HG3 PRO 103 HG3 PRO 103 46.849 -6.453 34.642 670 HD2 PRO 103 HD2 PRO 103 47.735 -4.129 33.572 671 HD3 PRO 103 HD3 PRO 103 48.139 -4.634 35.226 672 HA PRO 104 HA PRO 104 51.679 -7.636 29.899 673 HB2 PRO 104 HB2 PRO 104 51.676 -10.350 29.834 674 HB3 PRO 104 HB3 PRO 104 52.954 -9.409 30.612 675 HG2 PRO 104 HG2 PRO 104 50.596 -10.780 31.843 676 HG3 PRO 104 HG3 PRO 104 52.278 -10.730 32.401 677 HD2 PRO 104 HD2 PRO 104 50.344 -9.159 33.462 678 HD3 PRO 104 HD3 PRO 104 52.037 -8.638 33.339 679 HA PRO 105 HA PRO 105 48.074 -8.387 27.496 680 HB2 PRO 105 HB2 PRO 105 49.059 -9.679 25.321 681 HB3 PRO 105 HB3 PRO 105 49.336 -7.960 25.625 682 HG2 PRO 105 HG2 PRO 105 51.141 -10.290 26.148 683 HG3 PRO 105 HG3 PRO 105 51.534 -8.702 25.465 684 HD2 PRO 105 HD2 PRO 105 52.022 -9.336 28.052 685 HD3 PRO 105 HD3 PRO 105 51.607 -7.689 27.534 686 H SER 106 H SER 106 47.108 -10.282 26.002 687 HA SER 106 HA SER 106 46.175 -12.359 25.898 688 HB2 SER 106 HB2 SER 106 48.832 -12.840 26.876 689 HB3 SER 106 HB3 SER 106 47.709 -13.933 27.684 690 HG SER 106 HG SER 106 48.663 -14.093 25.214 691 H THR 107 H THR 107 47.490 -12.516 29.194 692 HA THR 107 HA THR 107 45.044 -13.401 30.310 693 HB THR 107 HB THR 107 46.374 -12.473 32.484 694 HG1 THR 107 HG1 THR 107 48.463 -12.240 32.091 695 HG21 THR 107 HG21 THR 107 47.012 -14.686 32.863 696 HG22 THR 107 HG22 THR 107 47.303 -14.995 31.151 697 HG23 THR 107 HG23 THR 107 45.652 -14.843 31.752 698 H HIS 108 H HIS 108 44.120 -12.203 32.303 699 HA HIS 108 HA HIS 108 43.738 -9.368 31.596 700 HB2 HIS 108 HB2 HIS 108 41.801 -11.222 31.396 701 HB3 HIS 108 HB3 HIS 108 41.596 -10.780 33.089 702 HD1 HIS 108 HD1 HIS 108 41.065 -9.536 29.637 703 HD2 HIS 108 HD2 HIS 108 40.751 -8.106 33.525 704 HE1 HIS 108 HE1 HIS 108 39.748 -7.400 29.464 Start of MODEL 11 1 H1 ALA 1 H ALA 1 0.404 0.656 0.629 2 HA ALA 1 HA ALA 1 2.033 2.408 -0.284 3 HB1 ALA 1 HB1 ALA 1 2.260 4.159 1.720 4 HB2 ALA 1 HB2 ALA 1 1.219 4.434 0.323 5 HB3 ALA 1 HB3 ALA 1 0.531 3.830 1.831 6 H GLY 2 H GLY 2 4.016 1.693 0.163 7 HA2 GLY 2 HA2 GLY 2 4.593 0.785 2.909 8 HA3 GLY 2 HA3 GLY 2 4.982 -0.235 1.532 9 H SER 3 H SER 3 6.855 0.668 3.450 10 HA SER 3 HA SER 3 8.925 1.564 1.785 11 HB2 SER 3 HB2 SER 3 7.374 3.673 3.174 12 HB3 SER 3 HB3 SER 3 9.129 3.809 3.275 13 HG SER 3 HG SER 3 8.248 4.876 1.432 14 H LYS 4 H LYS 4 10.724 0.804 2.671 15 HA LYS 4 HA LYS 4 11.561 1.212 5.304 16 HB2 LYS 4 HB2 LYS 4 11.386 -1.265 6.018 17 HB3 LYS 4 HB3 LYS 4 9.962 -0.245 6.176 18 HG2 LYS 4 HG2 LYS 4 8.787 -1.493 4.760 19 HG3 LYS 4 HG3 LYS 4 10.106 -1.555 3.588 20 HD2 LYS 4 HD2 LYS 4 10.134 -3.744 4.137 21 HD3 LYS 4 HD3 LYS 4 11.090 -3.177 5.508 22 HE2 LYS 4 HE2 LYS 4 9.480 -3.688 6.976 23 HE3 LYS 4 HE3 LYS 4 8.215 -2.999 5.960 24 HZ1 LYS 4 HZ1 LYS 4 8.979 -5.726 6.295 25 HZ2 LYS 4 HZ2 LYS 4 8.985 -5.282 4.663 26 HZ3 LYS 4 HZ3 LYS 4 7.583 -5.081 5.588 27 H LEU 5 H LEU 5 13.492 -0.144 5.863 28 HA LEU 5 HA LEU 5 15.070 -0.548 3.453 29 HB2 LEU 5 HB2 LEU 5 15.585 0.168 6.208 30 HB3 LEU 5 HB3 LEU 5 16.661 -1.117 5.664 31 HG LEU 5 HG LEU 5 16.739 0.763 3.617 32 HD11 LEU 5 HD11 LEU 5 16.905 2.876 4.489 33 HD12 LEU 5 HD12 LEU 5 17.254 2.297 6.118 34 HD13 LEU 5 HD13 LEU 5 15.610 2.212 5.485 35 HD21 LEU 5 HD21 LEU 5 18.627 -0.524 4.331 36 HD22 LEU 5 HD22 LEU 5 18.603 0.229 5.925 37 HD23 LEU 5 HD23 LEU 5 19.029 1.184 4.505 38 H CYS 6 H CYS 6 16.320 -2.443 3.074 39 HA CYS 6 HA CYS 6 15.222 -4.857 4.361 40 HB2 CYS 6 HB2 CYS 6 15.914 -4.294 1.493 41 HB3 CYS 6 HB3 CYS 6 15.929 -5.944 2.105 42 H GLU 7 H GLU 7 16.631 -6.148 5.353 43 HA GLU 7 HA GLU 7 19.499 -5.728 4.825 44 HB2 GLU 7 HB2 GLU 7 19.959 -6.301 7.097 45 HB3 GLU 7 HB3 GLU 7 18.667 -5.109 7.111 46 HG2 GLU 7 HG2 GLU 7 17.025 -6.878 7.448 47 HG3 GLU 7 HG3 GLU 7 18.313 -8.082 7.419 48 H LYS 8 H LYS 8 20.770 -7.437 4.332 49 HA LYS 8 HA LYS 8 19.479 -10.086 4.247 50 HB2 LYS 8 HB2 LYS 8 21.376 -8.769 2.314 51 HB3 LYS 8 HB3 LYS 8 21.140 -10.512 2.338 52 HG2 LYS 8 HG2 LYS 8 18.951 -8.487 1.921 53 HG3 LYS 8 HG3 LYS 8 19.778 -9.367 0.634 54 HD2 LYS 8 HD2 LYS 8 18.186 -10.917 0.866 55 HD3 LYS 8 HD3 LYS 8 18.993 -11.362 2.372 56 HE2 LYS 8 HE2 LYS 8 17.391 -10.425 3.657 57 HE3 LYS 8 HE3 LYS 8 17.144 -9.077 2.548 58 HZ1 LYS 8 HZ1 LYS 8 15.197 -10.197 2.276 59 HZ2 LYS 8 HZ2 LYS 8 15.876 -11.716 2.579 60 HZ3 LYS 8 HZ3 LYS 8 16.111 -10.969 1.080 61 H THR 9 H THR 9 20.883 -11.928 4.521 62 HA THR 9 HA THR 9 23.271 -11.299 6.133 63 HB THR 9 HB THR 9 22.090 -13.962 6.518 64 HG1 THR 9 HG1 THR 9 20.161 -13.333 7.116 65 HG21 THR 9 HG21 THR 9 23.883 -13.222 7.929 66 HG22 THR 9 HG22 THR 9 22.419 -13.295 8.910 67 HG23 THR 9 HG23 THR 9 23.019 -11.740 8.336 68 H SER 10 H SER 10 23.250 -11.633 3.274 69 HA SER 10 HA SER 10 24.457 -12.658 1.641 70 HB2 SER 10 HB2 SER 10 26.384 -12.455 3.040 71 HB3 SER 10 HB3 SER 10 25.863 -13.793 4.063 72 HG SER 10 HG SER 10 26.952 -15.023 2.771 73 H LYS 11 H LYS 11 24.380 -14.492 0.365 74 HA LYS 11 HA LYS 11 23.470 -17.007 1.468 75 HB2 LYS 11 HB2 LYS 11 21.572 -17.018 -0.311 76 HB3 LYS 11 HB3 LYS 11 21.308 -16.202 1.225 77 HG2 LYS 11 HG2 LYS 11 22.370 -14.631 -1.069 78 HG3 LYS 11 HG3 LYS 11 20.659 -15.064 -1.042 79 HD2 LYS 11 HD2 LYS 11 20.994 -14.164 1.490 80 HD3 LYS 11 HD3 LYS 11 22.161 -13.160 0.628 81 HE2 LYS 11 HE2 LYS 11 20.282 -11.871 0.417 82 HE3 LYS 11 HE3 LYS 11 20.156 -12.847 -1.045 83 HZ1 LYS 11 HZ1 LYS 11 18.045 -12.833 0.009 84 HZ2 LYS 11 HZ2 LYS 11 18.705 -13.248 1.510 85 HZ3 LYS 11 HZ3 LYS 11 18.701 -14.374 0.248 86 H THR 12 H THR 12 24.236 -15.076 -1.384 87 HA THR 12 HA THR 12 25.053 -17.502 -2.816 88 HB THR 12 HB THR 12 25.214 -16.051 -4.811 89 HG1 THR 12 HG1 THR 12 24.180 -14.035 -3.076 90 HG21 THR 12 HG21 THR 12 23.054 -16.453 -5.222 91 HG22 THR 12 HG22 THR 12 22.536 -15.289 -4.003 92 HG23 THR 12 HG23 THR 12 22.912 -16.948 -3.536 93 H TYR 13 H TYR 13 26.366 -15.155 -0.863 94 HA TYR 13 HA TYR 13 28.885 -14.851 -2.240 95 HB2 TYR 13 HB2 TYR 13 27.802 -13.108 -0.724 96 HB3 TYR 13 HB3 TYR 13 28.305 -14.116 0.628 97 HD1 TYR 13 HD2 TYR 13 30.048 -13.156 -2.534 98 HD2 TYR 13 HD1 TYR 13 30.037 -13.038 1.719 99 HE1 TYR 13 HE2 TYR 13 32.261 -12.083 -2.563 100 HE2 TYR 13 HE1 TYR 13 32.249 -11.963 1.702 101 HH TYR 13 HH TYR 13 34.269 -11.956 -0.831 102 H SER 14 H SER 14 27.571 -17.386 -0.723 103 HA SER 14 HA SER 14 29.219 -18.345 1.214 104 HB2 SER 14 HB2 SER 14 28.416 -20.166 -1.039 105 HB3 SER 14 HB3 SER 14 28.464 -20.499 0.692 106 HG SER 14 HG SER 14 26.378 -19.802 -0.689 107 H GLY 15 H GLY 15 31.338 -18.611 1.384 108 HA2 GLY 15 HA2 GLY 15 33.196 -19.984 0.324 109 HA3 GLY 15 HA3 GLY 15 32.899 -18.987 -1.093 110 H LYS 16 H LYS 16 34.697 -17.794 -1.287 111 HA LYS 16 HA LYS 16 36.308 -16.883 0.814 112 HB2 LYS 16 HB2 LYS 16 37.513 -15.682 -0.798 113 HB3 LYS 16 HB3 LYS 16 36.842 -17.038 -1.695 114 HG2 LYS 16 HG2 LYS 16 35.658 -14.270 -1.622 115 HG3 LYS 16 HG3 LYS 16 36.691 -14.900 -2.908 116 HD2 LYS 16 HD2 LYS 16 34.973 -16.793 -3.098 117 HD3 LYS 16 HD3 LYS 16 33.917 -15.756 -2.135 118 HE2 LYS 16 HE2 LYS 16 34.144 -13.983 -3.811 119 HE3 LYS 16 HE3 LYS 16 35.194 -15.025 -4.770 120 HZ1 LYS 16 HZ1 LYS 16 33.101 -16.610 -4.528 121 HZ2 LYS 16 HZ2 LYS 16 33.239 -15.479 -5.778 122 HZ3 LYS 16 HZ3 LYS 16 32.303 -15.122 -4.415 123 H CYS 17 H CYS 17 36.303 -15.095 2.065 124 HA CYS 17 HA CYS 17 34.114 -13.167 1.643 125 HB2 CYS 17 HB2 CYS 17 34.205 -14.770 3.746 126 HB3 CYS 17 HB3 CYS 17 35.337 -13.560 4.340 127 H ASP 18 H ASP 18 34.694 -11.135 1.271 128 HA ASP 18 HA ASP 18 37.220 -10.128 2.350 129 HB2 ASP 18 HB2 ASP 18 36.833 -10.810 -0.388 130 HB3 ASP 18 HB3 ASP 18 36.924 -9.054 -0.278 131 H ASN 19 H ASN 19 37.325 -7.648 1.432 132 HA ASN 19 HA ASN 19 35.062 -6.393 2.697 133 HB2 ASN 19 HB2 ASN 19 37.194 -5.436 3.177 134 HB3 ASN 19 HB3 ASN 19 37.599 -5.315 1.467 135 HD21 ASN 19 HD22 ASN 19 37.598 -3.301 0.812 136 HD22 ASN 19 HD21 ASN 19 36.492 -2.067 1.300 137 H LYS 20 H LYS 20 36.648 -5.392 -0.316 138 HA LYS 20 HA LYS 20 34.336 -4.233 -1.407 139 HB2 LYS 20 HB2 LYS 20 36.841 -3.927 -2.038 140 HB3 LYS 20 HB3 LYS 20 36.566 -5.286 -3.120 141 HG2 LYS 20 HG2 LYS 20 34.460 -3.423 -3.499 142 HG3 LYS 20 HG3 LYS 20 35.991 -2.546 -3.539 143 HD2 LYS 20 HD2 LYS 20 35.974 -5.085 -5.022 144 HD3 LYS 20 HD3 LYS 20 34.898 -3.841 -5.663 145 HE2 LYS 20 HE2 LYS 20 36.802 -3.262 -6.765 146 HE3 LYS 20 HE3 LYS 20 37.050 -2.332 -5.288 147 HZ1 LYS 20 HZ1 LYS 20 38.281 -4.914 -6.046 148 HZ2 LYS 20 HZ2 LYS 20 38.299 -4.346 -4.453 149 HZ3 LYS 20 HZ3 LYS 20 39.053 -3.454 -5.677 150 H LYS 21 H LYS 21 35.688 -7.463 -1.678 151 HA LYS 21 HA LYS 21 34.146 -8.407 -3.816 152 HB2 LYS 21 HB2 LYS 21 35.448 -9.766 -1.470 153 HB3 LYS 21 HB3 LYS 21 34.511 -10.679 -2.645 154 HG2 LYS 21 HG2 LYS 21 36.573 -10.910 -3.560 155 HG3 LYS 21 HG3 LYS 21 36.085 -9.407 -4.348 156 HD2 LYS 21 HD2 LYS 21 37.173 -8.443 -2.067 157 HD3 LYS 21 HD3 LYS 21 38.148 -9.896 -2.301 158 HE2 LYS 21 HE2 LYS 21 38.054 -8.812 -4.822 159 HE3 LYS 21 HE3 LYS 21 38.127 -7.385 -3.791 160 HZ1 LYS 21 HZ1 LYS 21 40.141 -9.395 -4.306 161 HZ2 LYS 21 HZ2 LYS 21 39.997 -8.946 -2.682 162 HZ3 LYS 21 HZ3 LYS 21 40.319 -7.773 -3.858 163 H CYS 22 H CYS 22 33.488 -8.330 -0.340 164 HA CYS 22 HA CYS 22 31.039 -9.750 -0.469 165 HB2 CYS 22 HB2 CYS 22 32.230 -9.570 1.629 166 HB3 CYS 22 HB3 CYS 22 32.109 -7.813 1.592 167 H ASP 23 H ASP 23 31.629 -6.270 0.063 168 HA ASP 23 HA ASP 23 29.009 -5.404 -0.141 169 HB2 ASP 23 HB2 ASP 23 31.277 -4.139 0.389 170 HB3 ASP 23 HB3 ASP 23 31.163 -3.701 -1.313 171 H LYS 24 H LYS 24 31.357 -6.028 -2.695 172 HA LYS 24 HA LYS 24 29.838 -4.968 -4.828 173 HB2 LYS 24 HB2 LYS 24 32.175 -5.328 -5.164 174 HB3 LYS 24 HB3 LYS 24 32.041 -7.027 -4.732 175 HG2 LYS 24 HG2 LYS 24 30.762 -7.461 -6.751 176 HG3 LYS 24 HG3 LYS 24 30.835 -5.750 -7.178 177 HD2 LYS 24 HD2 LYS 24 32.828 -6.025 -8.126 178 HD3 LYS 24 HD3 LYS 24 33.477 -6.736 -6.647 179 HE2 LYS 24 HE2 LYS 24 32.161 -8.853 -7.465 180 HE3 LYS 24 HE3 LYS 24 32.286 -8.066 -9.038 181 HZ1 LYS 24 HZ1 LYS 24 34.553 -8.280 -9.068 182 HZ2 LYS 24 HZ2 LYS 24 34.127 -9.694 -8.243 183 HZ3 LYS 24 HZ3 LYS 24 34.697 -8.353 -7.383 184 H LYS 25 H LYS 25 30.212 -8.293 -3.621 185 HA LYS 25 HA LYS 25 28.500 -9.527 -5.462 186 HB2 LYS 25 HB2 LYS 25 30.090 -10.384 -3.405 187 HB3 LYS 25 HB3 LYS 25 28.481 -10.674 -2.755 188 HG2 LYS 25 HG2 LYS 25 28.880 -11.578 -5.519 189 HG3 LYS 25 HG3 LYS 25 29.850 -12.415 -4.305 190 HD2 LYS 25 HD2 LYS 25 27.834 -12.926 -3.031 191 HD3 LYS 25 HD3 LYS 25 26.854 -12.055 -4.212 192 HE2 LYS 25 HE2 LYS 25 26.870 -14.550 -4.474 193 HE3 LYS 25 HE3 LYS 25 27.342 -13.645 -5.911 194 HZ1 LYS 25 HZ1 LYS 25 28.730 -15.691 -4.965 195 HZ2 LYS 25 HZ2 LYS 25 29.494 -14.439 -4.122 196 HZ3 LYS 25 HZ3 LYS 25 29.445 -14.413 -5.813 197 H CYS 26 H CYS 26 27.840 -7.598 -2.673 198 HA CYS 26 HA CYS 26 25.195 -8.507 -2.173 199 HB2 CYS 26 HB2 CYS 26 26.699 -6.000 -1.444 200 HB3 CYS 26 HB3 CYS 26 25.007 -6.222 -1.011 201 H ILE 27 H ILE 27 26.436 -5.606 -3.833 202 HA ILE 27 HA ILE 27 23.825 -4.902 -4.813 203 HB ILE 27 HB ILE 27 26.456 -3.782 -5.764 204 HG12 ILE 27 HG12 ILE 27 25.196 -2.094 -3.836 205 HG13 ILE 27 HG13 ILE 27 25.372 -3.697 -3.132 206 HG21 ILE 27 HG21 ILE 27 24.987 -2.788 -7.154 207 HG22 ILE 27 HG22 ILE 27 23.614 -3.089 -6.090 208 HG23 ILE 27 HG23 ILE 27 24.699 -1.737 -5.768 209 HD11 ILE 27 HD11 ILE 27 27.372 -2.831 -2.540 210 HD12 ILE 27 HD12 ILE 27 27.815 -3.432 -4.138 211 HD13 ILE 27 HD13 ILE 27 27.429 -1.727 -3.913 212 H GLU 28 H GLU 28 26.324 -6.973 -5.838 213 HA GLU 28 HA GLU 28 25.695 -6.823 -8.657 214 HB2 GLU 28 HB2 GLU 28 27.603 -8.413 -6.987 215 HB3 GLU 28 HB3 GLU 28 27.223 -8.958 -8.614 216 HG2 GLU 28 HG2 GLU 28 27.874 -6.130 -8.506 217 HG3 GLU 28 HG3 GLU 28 29.178 -7.158 -7.914 218 H TRP 29 H TRP 29 25.197 -9.107 -5.993 219 HA TRP 29 HA TRP 29 23.414 -10.679 -7.717 220 HB2 TRP 29 HB2 TRP 29 24.910 -11.306 -5.186 221 HB3 TRP 29 HB3 TRP 29 23.539 -12.291 -5.687 222 HD1 TRP 29 HD1 TRP 29 26.692 -10.948 -7.538 223 HE1 TRP 29 HE1 TRP 29 27.689 -12.894 -8.896 224 HE3 TRP 29 HE3 TRP 29 23.349 -14.607 -6.285 225 HZ2 TRP 29 HZ2 TRP 29 27.131 -15.619 -9.373 226 HZ3 TRP 29 HZ3 TRP 29 23.651 -16.856 -7.236 227 HH2 TRP 29 HH2 TRP 29 25.503 -17.349 -8.748 228 H GLU 30 H GLU 30 23.558 -9.325 -4.424 229 HA GLU 30 HA GLU 30 20.703 -9.656 -4.087 230 HB2 GLU 30 HB2 GLU 30 22.627 -8.215 -2.260 231 HB3 GLU 30 HB3 GLU 30 21.034 -8.838 -1.854 232 HG2 GLU 30 HG2 GLU 30 21.772 -11.075 -1.962 233 HG3 GLU 30 HG3 GLU 30 23.286 -10.614 -2.738 234 H LYS 31 H LYS 31 22.531 -7.488 -5.712 235 HA LYS 31 HA LYS 31 22.329 -5.291 -6.329 236 HB2 LYS 31 HB2 LYS 31 19.375 -5.867 -6.101 237 HB3 LYS 31 HB3 LYS 31 20.163 -4.726 -7.183 238 HG2 LYS 31 HG2 LYS 31 20.251 -7.728 -7.304 239 HG3 LYS 31 HG3 LYS 31 19.522 -6.618 -8.467 240 HD2 LYS 31 HD2 LYS 31 22.463 -6.875 -7.842 241 HD3 LYS 31 HD3 LYS 31 21.651 -7.450 -9.300 242 HE2 LYS 31 HE2 LYS 31 20.902 -4.973 -9.538 243 HE3 LYS 31 HE3 LYS 31 22.235 -4.646 -8.432 244 HZ1 LYS 31 HZ1 LYS 31 23.781 -5.223 -9.974 245 HZ2 LYS 31 HZ2 LYS 31 22.574 -4.671 -11.022 246 HZ3 LYS 31 HZ3 LYS 31 22.773 -6.330 -10.762 247 H ALA 32 H ALA 32 22.571 -5.669 -3.489 248 HA ALA 32 HA ALA 32 20.723 -3.897 -2.182 249 HB1 ALA 32 HB1 ALA 32 23.352 -4.913 -1.121 250 HB2 ALA 32 HB2 ALA 32 21.981 -4.300 -0.196 251 HB3 ALA 32 HB3 ALA 32 21.847 -5.830 -1.062 252 H GLN 33 H GLN 33 22.311 -2.389 -0.523 253 HA GLN 33 HA GLN 33 23.504 -0.484 -2.420 254 HB2 GLN 33 HB2 GLN 33 21.821 -0.183 -0.019 255 HB3 GLN 33 HB3 GLN 33 23.156 0.955 -0.136 256 HG2 GLN 33 HG2 GLN 33 21.800 0.744 -2.658 257 HG3 GLN 33 HG3 GLN 33 20.658 1.121 -1.369 258 HE21 GLN 33 HE22 GLN 33 20.260 3.217 -1.681 259 HE22 GLN 33 HE21 GLN 33 21.456 4.462 -1.708 260 H HIS 34 H HIS 34 23.905 -1.832 0.842 261 HA HIS 34 HA HIS 34 26.803 -1.487 0.546 262 HB2 HIS 34 HB2 HIS 34 25.326 0.167 2.165 263 HB3 HIS 34 HB3 HIS 34 25.836 -1.089 3.289 264 HD1 HIS 34 HD1 HIS 34 27.889 -0.410 4.464 265 HD2 HIS 34 HD2 HIS 34 27.845 0.963 0.543 266 HE1 HIS 34 HE1 HIS 34 30.058 0.824 4.160 267 H GLY 35 H GLY 35 28.079 -2.947 1.793 268 HA2 GLY 35 HA2 GLY 35 26.697 -5.079 3.220 269 HA3 GLY 35 HA3 GLY 35 27.540 -5.552 1.752 270 H ALA 36 H ALA 36 28.052 -6.394 4.487 271 HA ALA 36 HA ALA 36 30.883 -5.646 4.597 272 HB1 ALA 36 HB1 ALA 36 30.124 -5.951 7.270 273 HB2 ALA 36 HB2 ALA 36 30.603 -4.461 6.455 274 HB3 ALA 36 HB3 ALA 36 28.900 -4.908 6.545 275 H CYS 37 H CYS 37 32.164 -7.154 5.950 276 HA CYS 37 HA CYS 37 30.985 -9.856 5.933 277 HB2 CYS 37 HB2 CYS 37 32.663 -9.638 4.178 278 HB3 CYS 37 HB3 CYS 37 33.838 -9.041 5.345 279 H HIS 38 H HIS 38 31.344 -11.174 7.675 280 HA HIS 38 HA HIS 38 33.101 -10.258 9.816 281 HB2 HIS 38 HB2 HIS 38 30.857 -9.269 10.265 282 HB3 HIS 38 HB3 HIS 38 30.186 -10.897 10.314 283 HD1 HIS 38 HD1 HIS 38 29.764 -11.509 12.662 284 HD2 HIS 38 HD2 HIS 38 33.284 -9.340 12.251 285 HE1 HIS 38 HE1 HIS 38 30.749 -11.383 14.972 286 H LYS 39 H LYS 39 33.500 -11.903 11.441 287 HA LYS 39 HA LYS 39 32.989 -14.625 10.433 288 HB2 LYS 39 HB2 LYS 39 35.161 -15.278 11.384 289 HB3 LYS 39 HB3 LYS 39 35.336 -14.027 10.160 290 HG2 LYS 39 HG2 LYS 39 36.629 -13.006 11.661 291 HG3 LYS 39 HG3 LYS 39 35.113 -12.551 12.444 292 HD2 LYS 39 HD2 LYS 39 35.328 -14.829 13.650 293 HD3 LYS 39 HD3 LYS 39 37.018 -14.757 13.145 294 HE2 LYS 39 HE2 LYS 39 35.816 -12.383 14.483 295 HE3 LYS 39 HE3 LYS 39 36.238 -13.784 15.466 296 HZ1 LYS 39 HZ1 LYS 39 38.473 -13.575 14.947 297 HZ2 LYS 39 HZ2 LYS 39 37.984 -11.967 15.135 298 HZ3 LYS 39 HZ3 LYS 39 38.187 -12.613 13.585 299 H ARG 40 H ARG 40 31.911 -15.926 11.760 300 HA ARG 40 HA ARG 40 32.303 -16.179 14.506 301 HB2 ARG 40 HB2 ARG 40 30.930 -13.846 13.994 302 HB3 ARG 40 HB3 ARG 40 29.635 -14.986 14.332 303 HG2 ARG 40 HG2 ARG 40 30.049 -14.209 16.432 304 HG3 ARG 40 HG3 ARG 40 31.147 -15.590 16.395 305 HD2 ARG 40 HD2 ARG 40 33.021 -14.264 16.195 306 HD3 ARG 40 HD3 ARG 40 32.124 -12.924 15.483 307 HE ARG 40 HE ARG 40 31.327 -13.393 18.171 308 HH11 ARG 40 HH12 ARG 40 33.845 -11.981 16.225 309 HH12 ARG 40 HH11 ARG 40 34.321 -10.839 17.437 310 HH21 ARG 40 HH22 ARG 40 31.945 -11.894 19.775 311 HH22 ARG 40 HH21 ARG 40 33.240 -10.790 19.457 312 H GLU 41 H GLU 41 30.249 -17.276 15.556 313 HA GLU 41 HA GLU 41 28.916 -19.120 15.583 314 HB2 GLU 41 HB2 GLU 41 28.189 -17.772 13.026 315 HB3 GLU 41 HB3 GLU 41 27.581 -19.398 13.303 316 HG2 GLU 41 HG2 GLU 41 26.728 -18.525 15.535 317 HG3 GLU 41 HG3 GLU 41 27.053 -16.915 14.896 318 H ALA 42 H ALA 42 30.291 -20.818 15.718 319 HA ALA 42 HA ALA 42 31.568 -22.605 15.104 320 HB1 ALA 42 HB1 ALA 42 30.607 -23.372 12.626 321 HB2 ALA 42 HB2 ALA 42 30.004 -23.905 14.196 322 HB3 ALA 42 HB3 ALA 42 29.242 -22.543 13.374 323 H GLY 43 H GLY 43 32.406 -19.895 14.194 324 HA2 GLY 43 HA2 GLY 43 34.163 -19.018 13.003 325 HA3 GLY 43 HA3 GLY 43 34.657 -20.672 12.673 326 H LYS 44 H LYS 44 31.623 -19.100 11.761 327 HA LYS 44 HA LYS 44 32.319 -19.606 8.946 328 HB2 LYS 44 HB2 LYS 44 29.715 -19.612 10.435 329 HB3 LYS 44 HB3 LYS 44 29.734 -19.324 8.700 330 HG2 LYS 44 HG2 LYS 44 29.653 -21.527 8.457 331 HG3 LYS 44 HG3 LYS 44 31.329 -21.559 9.011 332 HD2 LYS 44 HD2 LYS 44 29.992 -23.123 10.298 333 HD3 LYS 44 HD3 LYS 44 30.538 -21.798 11.330 334 HE2 LYS 44 HE2 LYS 44 28.421 -21.466 11.918 335 HE3 LYS 44 HE3 LYS 44 28.086 -20.970 10.260 336 HZ1 LYS 44 HZ1 LYS 44 28.156 -23.809 10.528 337 HZ2 LYS 44 HZ2 LYS 44 26.939 -22.819 9.895 338 HZ3 LYS 44 HZ3 LYS 44 27.005 -23.119 11.559 339 H GLU 45 H GLU 45 32.334 -17.974 7.499 340 HA GLU 45 HA GLU 45 32.189 -15.277 8.512 341 HB2 GLU 45 HB2 GLU 45 32.942 -16.494 5.869 342 HB3 GLU 45 HB3 GLU 45 32.718 -14.758 6.032 343 HG2 GLU 45 HG2 GLU 45 34.863 -14.680 6.593 344 HG3 GLU 45 HG3 GLU 45 34.368 -15.362 8.141 345 H SER 46 H SER 46 30.502 -13.951 8.397 346 HA SER 46 HA SER 46 28.308 -14.640 6.552 347 HB2 SER 46 HB2 SER 46 27.058 -13.195 8.495 348 HB3 SER 46 HB3 SER 46 27.144 -14.956 8.473 349 HG SER 46 HG SER 46 28.753 -14.909 9.948 350 H CYS 47 H CYS 47 27.581 -13.079 5.231 351 HA CYS 47 HA CYS 47 28.734 -10.388 5.557 352 HB2 CYS 47 HB2 CYS 47 28.424 -12.156 3.248 353 HB3 CYS 47 HB3 CYS 47 27.820 -10.529 2.953 354 H PHE 48 H PHE 48 27.365 -8.846 6.125 355 HA PHE 48 HA PHE 48 24.498 -9.237 5.600 356 HB2 PHE 48 HB2 PHE 48 24.317 -7.369 7.392 357 HB3 PHE 48 HB3 PHE 48 24.722 -9.002 7.911 358 HD1 PHE 48 HD1 PHE 48 27.013 -9.556 8.586 359 HD2 PHE 48 HD2 PHE 48 25.874 -5.577 7.595 360 HE1 PHE 48 HE1 PHE 48 29.048 -8.706 9.678 361 HE2 PHE 48 HE2 PHE 48 27.907 -4.720 8.685 362 HZ PHE 48 HZ PHE 48 29.497 -6.285 9.728 363 H CYS 49 H CYS 49 23.394 -7.835 4.365 364 HA CYS 49 HA CYS 49 24.749 -5.355 3.537 365 HB2 CYS 49 HB2 CYS 49 22.947 -6.853 1.663 366 HB3 CYS 49 HB3 CYS 49 24.205 -5.678 1.291 367 H TYR 50 H TYR 50 23.284 -3.670 2.752 368 HA TYR 50 HA TYR 50 20.507 -3.927 3.633 369 HB2 TYR 50 HB2 TYR 50 22.181 -1.558 4.461 370 HB3 TYR 50 HB3 TYR 50 20.555 -1.971 4.992 371 HD1 TYR 50 HD1 TYR 50 20.208 -3.858 6.560 372 HD2 TYR 50 HD2 TYR 50 24.105 -2.522 5.498 373 HE1 TYR 50 HE1 TYR 50 21.139 -5.054 8.496 374 HE2 TYR 50 HE2 TYR 50 25.047 -3.716 7.431 375 HH TYR 50 HH TYR 50 24.557 -4.796 9.346 376 H PHE 51 H PHE 51 19.082 -2.829 2.393 377 HA PHE 51 HA PHE 51 20.007 -0.707 0.630 378 HB2 PHE 51 HB2 PHE 51 18.932 -1.813 -1.352 379 HB3 PHE 51 HB3 PHE 51 20.390 -2.614 -0.775 380 HD1 PHE 51 HD2 PHE 51 20.144 -4.671 0.664 381 HD2 PHE 51 HD1 PHE 51 16.899 -2.958 -1.492 382 HE1 PHE 51 HE2 PHE 51 18.907 -6.789 0.850 383 HE2 PHE 51 HE1 PHE 51 15.656 -5.073 -1.309 384 HZ PHE 51 HZ PHE 51 16.660 -6.993 -0.137 385 H ASP 52 H ASP 52 18.279 0.519 -0.316 386 HA ASP 52 HA ASP 52 16.075 0.860 1.441 387 HB2 ASP 52 HB2 ASP 52 16.957 2.779 0.289 388 HB3 ASP 52 HB3 ASP 52 16.677 2.029 -1.280 389 H CYS 53 H CYS 53 14.094 0.008 1.405 390 HA CYS 53 HA CYS 53 13.277 -1.497 -0.995 391 HB2 CYS 53 HB2 CYS 53 13.435 -2.304 1.806 392 HB3 CYS 53 HB3 CYS 53 11.845 -2.593 1.108 393 H SER 54 H SER 54 11.050 -1.509 -1.513 394 HA SER 54 HA SER 54 9.127 -0.357 -1.976 395 HB2 SER 54 HB2 SER 54 7.809 0.161 0.200 396 HB3 SER 54 HB3 SER 54 8.198 -1.520 -0.167 397 HG SER 54 HG SER 54 9.461 -1.592 1.519 398 H LYS 55 H LYS 55 11.456 1.289 -1.957 399 HA LYS 55 HA LYS 55 12.045 3.483 -2.067 400 HB2 LYS 55 HB2 LYS 55 9.055 3.634 -2.049 401 HB3 LYS 55 HB3 LYS 55 9.994 5.117 -1.938 402 HG2 LYS 55 HG2 LYS 55 9.900 5.073 -4.172 403 HG3 LYS 55 HG3 LYS 55 11.207 3.895 -4.030 404 HD2 LYS 55 HD2 LYS 55 8.457 2.835 -3.812 405 HD3 LYS 55 HD3 LYS 55 8.940 3.436 -5.400 406 HE2 LYS 55 HE2 LYS 55 10.991 1.796 -4.155 407 HE3 LYS 55 HE3 LYS 55 9.470 0.930 -4.360 408 HZ1 LYS 55 HZ1 LYS 55 11.376 1.755 -6.333 409 HZ2 LYS 55 HZ2 LYS 55 9.799 2.223 -6.727 410 HZ3 LYS 55 HZ3 LYS 55 10.150 0.594 -6.438 411 H SER 56 H SER 56 12.589 2.456 0.315 412 HA SER 56 HA SER 56 11.421 3.452 2.602 413 HB2 SER 56 HB2 SER 56 13.068 2.122 3.361 414 HB3 SER 56 HB3 SER 56 14.006 2.322 1.881 415 HG SER 56 HG SER 56 15.090 3.939 2.763 416 HA PRO 57 HA PRO 57 12.193 7.762 2.856 417 HB2 PRO 57 HB2 PRO 57 12.812 8.097 5.478 418 HB3 PRO 57 HB3 PRO 57 11.177 7.728 4.916 419 HG2 PRO 57 HG2 PRO 57 13.248 5.891 6.054 420 HG3 PRO 57 HG3 PRO 57 11.508 5.959 6.389 421 HD2 PRO 57 HD2 PRO 57 12.599 4.131 4.715 422 HD3 PRO 57 HD3 PRO 57 10.967 4.789 4.478 423 HA PRO 58 HA PRO 58 16.447 8.843 2.599 424 HB2 PRO 58 HB2 PRO 58 16.547 11.291 3.767 425 HB3 PRO 58 HB3 PRO 58 15.799 11.009 2.191 426 HG2 PRO 58 HG2 PRO 58 14.509 11.268 4.880 427 HG3 PRO 58 HG3 PRO 58 14.005 11.958 3.326 428 HD2 PRO 58 HD2 PRO 58 12.863 9.738 4.373 429 HD3 PRO 58 HD3 PRO 58 13.034 9.989 2.624 430 H GLY 59 H GLY 59 15.017 8.305 5.611 431 HA2 GLY 59 HA2 GLY 59 17.449 8.814 7.143 432 HA3 GLY 59 HA3 GLY 59 15.896 8.308 7.792 433 H ALA 60 H ALA 60 15.637 6.231 8.330 434 HA ALA 60 HA ALA 60 16.749 4.031 7.005 435 HB1 ALA 60 HB1 ALA 60 18.237 3.667 9.324 436 HB2 ALA 60 HB2 ALA 60 18.857 4.027 7.712 437 HB3 ALA 60 HB3 ALA 60 18.548 5.337 8.851 438 H THR 61 H THR 61 15.420 2.417 7.480 439 HA THR 61 HA THR 61 14.674 1.785 10.178 440 HB THR 61 HB THR 61 12.363 2.438 8.367 441 HG1 THR 61 HG1 THR 61 12.759 4.481 8.704 442 HG21 THR 61 HG21 THR 61 11.774 1.037 10.200 443 HG22 THR 61 HG22 THR 61 11.229 2.663 10.610 444 HG23 THR 61 HG23 THR 61 12.703 2.018 11.332 445 HA PRO 62 HA PRO 62 14.800 -1.719 7.119 446 HB2 PRO 62 HB2 PRO 62 16.479 -3.262 8.594 447 HB3 PRO 62 HB3 PRO 62 17.051 -2.042 7.450 448 HG2 PRO 62 HG2 PRO 62 16.773 -1.866 10.425 449 HG3 PRO 62 HG3 PRO 62 18.097 -1.300 9.390 450 HD2 PRO 62 HD2 PRO 62 16.195 0.364 10.362 451 HD3 PRO 62 HD3 PRO 62 16.973 0.620 8.786 452 H ALA 63 H ALA 63 14.699 -4.206 7.916 453 HA ALA 63 HA ALA 63 12.540 -4.295 9.921 454 HB1 ALA 63 HB1 ALA 63 11.880 -6.428 8.701 455 HB2 ALA 63 HB2 ALA 63 11.593 -4.904 7.860 456 HB3 ALA 63 HB3 ALA 63 12.978 -5.906 7.424 457 HA PRO 64 HA PRO 64 16.123 -6.696 11.646 458 HB2 PRO 64 HB2 PRO 64 15.891 -5.687 14.156 459 HB3 PRO 64 HB3 PRO 64 16.828 -4.893 12.885 460 HG2 PRO 64 HG2 PRO 64 14.054 -4.302 13.844 461 HG3 PRO 64 HG3 PRO 64 15.363 -3.175 13.443 462 HD2 PRO 64 HD2 PRO 64 13.324 -3.704 11.742 463 HD3 PRO 64 HD3 PRO 64 14.962 -3.319 11.178 464 HA PRO 65 HA PRO 65 13.747 -9.853 13.574 465 HB2 PRO 65 HB2 PRO 65 15.401 -10.738 15.537 466 HB3 PRO 65 HB3 PRO 65 15.694 -11.048 13.822 467 HG2 PRO 65 HG2 PRO 65 16.900 -8.966 15.602 468 HG3 PRO 65 HG3 PRO 65 17.686 -9.992 14.388 469 HD2 PRO 65 HD2 PRO 65 17.023 -7.412 13.906 470 HD3 PRO 65 HD3 PRO 65 17.011 -8.653 12.637 471 H GLY 66 H GLY 66 15.282 -7.666 15.929 472 HA2 GLY 66 HA2 GLY 66 12.730 -7.513 17.358 473 HA3 GLY 66 HA3 GLY 66 14.141 -8.036 18.264 474 H ALA 67 H ALA 67 14.322 -5.654 15.712 475 HA ALA 67 HA ALA 67 14.956 -3.468 15.708 476 HB1 ALA 67 HB1 ALA 67 13.647 -3.168 18.391 477 HB2 ALA 67 HB2 ALA 67 13.765 -1.997 17.077 478 HB3 ALA 67 HB3 ALA 67 12.699 -3.393 16.920 479 H ALA 68 H ALA 68 16.984 -5.060 16.437 480 HA ALA 68 HA ALA 68 18.628 -3.326 17.986 481 HB1 ALA 68 HB1 ALA 68 17.777 -4.201 19.946 482 HB2 ALA 68 HB2 ALA 68 17.571 -5.814 19.261 483 HB3 ALA 68 HB3 ALA 68 19.184 -5.227 19.667 484 HA PRO 69 HA PRO 69 20.719 -6.065 14.871 485 HB2 PRO 69 HB2 PRO 69 22.012 -4.038 13.611 486 HB3 PRO 69 HB3 PRO 69 20.371 -4.540 13.189 487 HG2 PRO 69 HG2 PRO 69 21.272 -2.253 14.898 488 HG3 PRO 69 HG3 PRO 69 19.999 -2.294 13.664 489 HD2 PRO 69 HD2 PRO 69 19.465 -2.440 16.315 490 HD3 PRO 69 HD3 PRO 69 18.471 -3.261 15.094 491 HA PRO 70 HA PRO 70 24.631 -6.227 16.873 492 HB2 PRO 70 HB2 PRO 70 26.329 -6.785 14.830 493 HB3 PRO 70 HB3 PRO 70 25.180 -7.964 15.473 494 HG2 PRO 70 HG2 PRO 70 24.962 -6.240 13.035 495 HG3 PRO 70 HG3 PRO 70 24.540 -7.950 13.237 496 HD2 PRO 70 HD2 PRO 70 22.685 -5.978 13.275 497 HD3 PRO 70 HD3 PRO 70 22.518 -7.464 14.232 498 HA PRO 71 HA PRO 71 26.886 -2.460 16.640 499 HB2 PRO 71 HB2 PRO 71 29.427 -3.245 17.183 500 HB3 PRO 71 HB3 PRO 71 28.151 -3.208 18.406 501 HG2 PRO 71 HG2 PRO 71 29.204 -5.530 16.838 502 HG3 PRO 71 HG3 PRO 71 28.796 -5.436 18.561 503 HD2 PRO 71 HD2 PRO 71 27.140 -6.550 16.730 504 HD3 PRO 71 HD3 PRO 71 26.540 -5.702 18.170 505 H ALA 72 H ALA 72 28.209 -1.185 15.332 506 HA ALA 72 HA ALA 72 29.911 -2.281 13.320 507 HB1 ALA 72 HB1 ALA 72 27.227 -1.207 12.473 508 HB2 ALA 72 HB2 ALA 72 28.592 -1.427 11.377 509 HB3 ALA 72 HB3 ALA 72 27.880 -2.821 12.189 510 H ALA 73 H ALA 73 31.420 -0.816 12.826 511 HA ALA 73 HA ALA 73 30.829 2.002 12.694 512 HB1 ALA 73 HB1 ALA 73 32.934 1.274 14.688 513 HB2 ALA 73 HB2 ALA 73 32.028 2.777 14.512 514 HB3 ALA 73 HB3 ALA 73 31.239 1.345 15.172 515 H GLY 74 H GLY 74 31.667 2.105 10.659 516 HA2 GLY 74 HA2 GLY 74 33.622 2.771 9.440 517 HA3 GLY 74 HA3 GLY 74 34.575 1.698 10.455 518 H GLY 75 H GLY 75 35.442 0.951 8.379 519 HA2 GLY 75 HA2 GLY 75 33.810 -1.269 7.370 520 HA3 GLY 75 HA3 GLY 75 34.448 -0.113 6.210 521 H SER 76 H SER 76 35.321 -2.321 5.475 522 HA SER 76 HA SER 76 37.044 -3.803 5.245 523 HB2 SER 76 HB2 SER 76 39.242 -2.799 5.181 524 HB3 SER 76 HB3 SER 76 38.080 -1.630 4.554 525 HG SER 76 HG SER 76 39.770 -1.065 6.315 526 HA PRO 77 HA PRO 77 37.222 -4.649 9.831 527 HB2 PRO 77 HB2 PRO 77 36.012 -7.075 9.685 528 HB3 PRO 77 HB3 PRO 77 35.114 -5.562 9.859 529 HG2 PRO 77 HG2 PRO 77 35.641 -7.181 7.396 530 HG3 PRO 77 HG3 PRO 77 34.141 -6.391 7.916 531 HD2 PRO 77 HD2 PRO 77 35.783 -5.314 6.052 532 HD3 PRO 77 HD3 PRO 77 34.822 -4.321 7.166 533 H SER 78 H SER 78 39.133 -5.388 10.485 534 HA SER 78 HA SER 78 40.188 -7.863 9.338 535 HB2 SER 78 HB2 SER 78 41.168 -5.736 8.220 536 HB3 SER 78 HB3 SER 78 42.041 -5.527 9.738 537 HG SER 78 HG SER 78 43.394 -6.758 8.601 538 HA PRO 79 HA PRO 79 40.470 -7.614 13.976 539 HB2 PRO 79 HB2 PRO 79 39.359 -10.052 14.414 540 HB3 PRO 79 HB3 PRO 79 38.401 -8.577 14.243 541 HG2 PRO 79 HG2 PRO 79 38.984 -10.702 12.217 542 HG3 PRO 79 HG3 PRO 79 37.455 -9.872 12.560 543 HD2 PRO 79 HD2 PRO 79 39.044 -9.196 10.475 544 HD3 PRO 79 HD3 PRO 79 38.048 -8.008 11.340 545 HA PRO 80 HA PRO 80 44.080 -10.093 14.371 546 HB2 PRO 80 HB2 PRO 80 43.883 -11.042 16.907 547 HB3 PRO 80 HB3 PRO 80 44.248 -9.352 16.539 548 HG2 PRO 80 HG2 PRO 80 41.639 -10.604 17.307 549 HG3 PRO 80 HG3 PRO 80 42.356 -9.080 17.864 550 HD2 PRO 80 HD2 PRO 80 40.421 -9.174 15.972 551 HD3 PRO 80 HD3 PRO 80 41.689 -7.932 15.980 552 H ALA 81 H ALA 81 44.755 -12.361 15.456 553 HA ALA 81 HA ALA 81 42.780 -14.435 15.172 554 HB1 ALA 81 HB1 ALA 81 43.761 -15.584 13.305 555 HB2 ALA 81 HB2 ALA 81 43.373 -13.934 12.815 556 HB3 ALA 81 HB3 ALA 81 45.041 -14.377 13.180 557 H ASP 82 H ASP 82 44.738 -13.428 17.132 558 HA ASP 82 HA ASP 82 45.777 -15.971 17.958 559 HB2 ASP 82 HB2 ASP 82 47.467 -14.337 16.391 560 HB3 ASP 82 HB3 ASP 82 48.047 -14.209 18.050 561 H GLY 83 H GLY 83 46.372 -12.486 18.479 562 HA2 GLY 83 HA2 GLY 83 45.674 -11.262 20.373 563 HA3 GLY 83 HA3 GLY 83 45.384 -12.777 21.216 564 H GLY 84 H GLY 84 46.527 -12.031 23.042 565 HA2 GLY 84 HA2 GLY 84 49.392 -12.470 22.832 566 HA3 GLY 84 HA3 GLY 84 48.913 -10.860 23.348 567 H SER 85 H SER 85 47.072 -13.700 24.198 568 HA SER 85 HA SER 85 48.295 -14.315 26.645 569 HB2 SER 85 HB2 SER 85 46.329 -13.279 28.054 570 HB3 SER 85 HB3 SER 85 47.735 -12.298 27.640 571 HG SER 85 HG SER 85 45.620 -11.325 27.229 572 HA PRO 86 HA PRO 86 44.967 -17.139 25.054 573 HB2 PRO 86 HB2 PRO 86 46.537 -19.354 25.022 574 HB3 PRO 86 HB3 PRO 86 46.444 -18.222 23.667 575 HG2 PRO 86 HG2 PRO 86 48.513 -18.433 25.820 576 HG3 PRO 86 HG3 PRO 86 48.732 -18.174 24.079 577 HD2 PRO 86 HD2 PRO 86 48.859 -16.156 25.880 578 HD3 PRO 86 HD3 PRO 86 48.254 -15.924 24.227 579 HA PRO 87 HA PRO 87 43.926 -18.929 28.933 580 HB2 PRO 87 HB2 PRO 87 42.857 -21.322 28.223 581 HB3 PRO 87 HB3 PRO 87 42.039 -19.782 27.937 582 HG2 PRO 87 HG2 PRO 87 43.638 -21.459 26.041 583 HG3 PRO 87 HG3 PRO 87 42.101 -20.618 25.768 584 HD2 PRO 87 HD2 PRO 87 44.476 -19.622 24.931 585 HD3 PRO 87 HD3 PRO 87 43.130 -18.582 25.438 586 HA PRO 88 HA PRO 88 46.989 -21.678 30.481 587 HB2 PRO 88 HB2 PRO 88 45.618 -23.133 32.318 588 HB3 PRO 88 HB3 PRO 88 46.037 -21.432 32.558 589 HG2 PRO 88 HG2 PRO 88 43.448 -22.636 31.658 590 HG3 PRO 88 HG3 PRO 88 43.729 -21.321 32.814 591 HD2 PRO 88 HD2 PRO 88 42.977 -20.874 30.251 592 HD3 PRO 88 HD3 PRO 88 44.020 -19.753 31.149 593 HA PRO 89 HA PRO 89 46.959 -25.622 28.537 594 HB2 PRO 89 HB2 PRO 89 48.316 -27.174 30.304 595 HB3 PRO 89 HB3 PRO 89 49.097 -25.929 29.320 596 HG2 PRO 89 HG2 PRO 89 48.208 -25.806 32.177 597 HG3 PRO 89 HG3 PRO 89 49.710 -25.211 31.445 598 HD2 PRO 89 HD2 PRO 89 47.628 -23.581 32.027 599 HD3 PRO 89 HD3 PRO 89 48.712 -23.292 30.651 600 H ALA 90 H ALA 90 45.732 -25.434 31.807 601 HA ALA 90 HA ALA 90 44.126 -26.593 32.932 602 HB1 ALA 90 HB1 ALA 90 42.831 -27.883 30.700 603 HB2 ALA 90 HB2 ALA 90 42.232 -26.614 31.769 604 HB3 ALA 90 HB3 ALA 90 43.182 -26.191 30.344 605 H ASP 91 H ASP 91 46.667 -27.921 32.279 606 HA ASP 91 HA ASP 91 45.796 -30.731 32.214 607 HB2 ASP 91 HB2 ASP 91 48.113 -29.309 31.121 608 HB3 ASP 91 HB3 ASP 91 48.540 -30.782 31.988 609 H GLY 92 H GLY 92 46.899 -32.241 33.642 610 HA2 GLY 92 HA2 GLY 92 48.344 -32.598 35.560 611 HA3 GLY 92 HA3 GLY 92 47.959 -30.965 36.083 612 H GLY 93 H GLY 93 45.382 -32.887 34.838 613 HA2 GLY 93 HA2 GLY 93 44.347 -33.174 37.587 614 HA3 GLY 93 HA3 GLY 93 43.344 -32.976 36.159 615 H SER 94 H SER 94 45.791 -35.187 37.503 616 HA SER 94 HA SER 94 44.157 -37.460 37.369 617 HB2 SER 94 HB2 SER 94 45.474 -36.747 34.873 618 HB3 SER 94 HB3 SER 94 45.944 -38.352 35.430 619 HG SER 94 HG SER 94 43.848 -37.893 34.111 620 HA PRO 95 HA PRO 95 43.893 -38.057 39.170 621 HB2 PRO 95 HB2 PRO 95 44.307 -37.557 41.806 622 HB3 PRO 95 HB3 PRO 95 44.427 -39.176 41.104 623 HG2 PRO 95 HG2 PRO 95 46.606 -37.237 41.778 624 HG3 PRO 95 HG3 PRO 95 46.542 -38.987 42.053 625 HD2 PRO 95 HD2 PRO 95 47.905 -37.887 39.989 626 HD3 PRO 95 HD3 PRO 95 47.125 -39.478 39.878 627 HA PRO 96 HA PRO 96 43.091 -33.733 39.229 628 HB2 PRO 96 HB2 PRO 96 40.814 -33.621 40.702 629 HB3 PRO 96 HB3 PRO 96 40.861 -34.256 39.054 630 HG2 PRO 96 HG2 PRO 96 40.870 -35.737 41.655 631 HG3 PRO 96 HG3 PRO 96 39.968 -36.091 40.170 632 HD2 PRO 96 HD2 PRO 96 42.239 -37.403 40.843 633 HD3 PRO 96 HD3 PRO 96 41.783 -37.087 39.156 634 H VAL 97 H VAL 97 44.807 -32.868 40.406 635 HA VAL 97 HA VAL 97 44.283 -32.451 43.278 636 HB VAL 97 HB VAL 97 46.734 -32.222 43.579 637 HG11 VAL 97 HG11 VAL 97 47.250 -34.617 43.422 638 HG12 VAL 97 HG12 VAL 97 45.639 -34.334 44.084 639 HG13 VAL 97 HG13 VAL 97 45.826 -34.850 42.408 640 HG21 VAL 97 HG21 VAL 97 47.045 -33.422 40.843 641 HG22 VAL 97 HG22 VAL 97 47.096 -31.679 41.108 642 HG23 VAL 97 HG23 VAL 97 48.283 -32.725 41.889 643 H ASP 98 H ASP 98 45.154 -30.435 44.167 644 HA ASP 98 HA ASP 98 44.421 -28.204 42.569 645 HB2 ASP 98 HB2 ASP 98 45.676 -28.472 45.295 646 HB3 ASP 98 HB3 ASP 98 45.389 -26.899 44.556 647 H GLY 99 H GLY 99 45.627 -26.783 41.431 648 HA2 GLY 99 HA2 GLY 99 48.008 -25.766 41.492 649 HA3 GLY 99 HA3 GLY 99 48.484 -27.423 41.155 650 H GLY 100 H GLY 100 48.704 -24.841 39.606 651 HA2 GLY 100 HA2 GLY 100 47.099 -25.491 37.240 652 HA3 GLY 100 HA3 GLY 100 47.995 -24.003 37.504 653 H SER 101 H SER 101 50.420 -25.432 38.346 654 HA SER 101 HA SER 101 52.346 -26.231 37.438 655 HB2 SER 101 HB2 SER 101 50.246 -27.887 36.335 656 HB3 SER 101 HB3 SER 101 51.562 -27.700 35.177 657 HG SER 101 HG SER 101 51.653 -29.445 36.893 658 HA PRO 102 HA PRO 102 53.538 -23.562 34.168 659 HB2 PRO 102 HB2 PRO 102 55.572 -24.932 33.003 660 HB3 PRO 102 HB3 PRO 102 55.714 -24.169 34.591 661 HG2 PRO 102 HG2 PRO 102 55.185 -27.035 33.907 662 HG3 PRO 102 HG3 PRO 102 56.262 -26.360 35.144 663 HD2 PRO 102 HD2 PRO 102 53.807 -27.342 35.728 664 HD3 PRO 102 HD3 PRO 102 54.535 -25.996 36.628 665 HA PRO 103 HA PRO 103 55.080 -23.167 32.203 666 HB2 PRO 103 HB2 PRO 103 54.281 -21.417 30.287 667 HB3 PRO 103 HB3 PRO 103 55.220 -22.871 29.929 668 HG2 PRO 103 HG2 PRO 103 52.273 -22.409 29.675 669 HG3 PRO 103 HG3 PRO 103 53.377 -23.230 28.557 670 HD2 PRO 103 HD2 PRO 103 51.760 -24.578 30.258 671 HD3 PRO 103 HD3 PRO 103 53.354 -25.188 29.772 672 HA PRO 104 HA PRO 104 53.118 -20.102 34.670 673 HB2 PRO 104 HB2 PRO 104 54.605 -17.886 34.172 674 HB3 PRO 104 HB3 PRO 104 55.204 -19.252 35.121 675 HG2 PRO 104 HG2 PRO 104 55.697 -18.582 32.245 676 HG3 PRO 104 HG3 PRO 104 56.841 -19.154 33.473 677 HD2 PRO 104 HD2 PRO 104 55.758 -20.797 31.614 678 HD3 PRO 104 HD3 PRO 104 56.181 -21.351 33.247 679 HA PRO 105 HA PRO 105 50.213 -17.654 32.456 680 HB2 PRO 105 HB2 PRO 105 49.935 -15.468 34.042 681 HB3 PRO 105 HB3 PRO 105 49.301 -17.059 34.480 682 HG2 PRO 105 HG2 PRO 105 51.824 -15.716 35.369 683 HG3 PRO 105 HG3 PRO 105 50.651 -16.639 36.326 684 HD2 PRO 105 HD2 PRO 105 52.990 -17.701 35.470 685 HD3 PRO 105 HD3 PRO 105 51.514 -18.669 35.657 686 H SER 106 H SER 106 50.171 -16.205 30.822 687 HA SER 106 HA SER 106 50.865 -14.639 29.326 688 HB2 SER 106 HB2 SER 106 52.364 -13.351 31.612 689 HB3 SER 106 HB3 SER 106 51.745 -12.575 30.154 690 HG SER 106 HG SER 106 49.936 -13.907 31.817 691 H THR 107 H THR 107 52.139 -16.159 28.200 692 HA THR 107 HA THR 107 55.005 -15.599 28.362 693 HB THR 107 HB THR 107 54.783 -17.635 29.657 694 HG1 THR 107 HG1 THR 107 55.977 -19.066 28.094 695 HG21 THR 107 HG21 THR 107 53.979 -19.712 28.313 696 HG22 THR 107 HG22 THR 107 53.128 -18.524 27.326 697 HG23 THR 107 HG23 THR 107 52.785 -18.646 29.051 698 H HIS 108 H HIS 108 56.176 -16.179 26.426 699 HA HIS 108 HA HIS 108 54.666 -15.643 24.058 700 HB2 HIS 108 HB2 HIS 108 57.088 -14.944 24.585 701 HB3 HIS 108 HB3 HIS 108 57.527 -16.580 24.101 702 HD1 HIS 108 HD1 HIS 108 58.123 -16.792 21.717 703 HD2 HIS 108 HD2 HIS 108 55.525 -13.618 22.375 704 HE1 HIS 108 HE1 HIS 108 57.827 -15.690 19.476 Start of MODEL 12 1 H1 ALA 1 H ALA 1 1.651 1.064 -2.709 2 HA ALA 1 HA ALA 1 1.411 1.638 0.057 3 HB1 ALA 1 HB1 ALA 1 0.057 -0.241 0.198 4 HB2 ALA 1 HB2 ALA 1 -0.148 0.265 -1.479 5 HB3 ALA 1 HB3 ALA 1 0.920 -1.083 -1.089 6 H GLY 2 H GLY 2 3.879 1.874 0.230 7 HA2 GLY 2 HA2 GLY 2 4.896 -0.051 1.932 8 HA3 GLY 2 HA3 GLY 2 5.473 -0.487 0.330 9 H SER 3 H SER 3 6.997 0.370 2.666 10 HA SER 3 HA SER 3 8.877 2.016 1.434 11 HB2 SER 3 HB2 SER 3 8.283 3.933 3.321 12 HB3 SER 3 HB3 SER 3 7.896 4.041 1.604 13 HG SER 3 HG SER 3 6.097 4.374 3.089 14 H LYS 4 H LYS 4 10.568 1.047 2.339 15 HA LYS 4 HA LYS 4 11.266 1.461 5.035 16 HB2 LYS 4 HB2 LYS 4 9.454 -0.573 4.836 17 HB3 LYS 4 HB3 LYS 4 10.974 -1.451 4.720 18 HG2 LYS 4 HG2 LYS 4 11.522 0.131 6.819 19 HG3 LYS 4 HG3 LYS 4 9.774 -0.028 7.003 20 HD2 LYS 4 HD2 LYS 4 11.371 -2.483 6.468 21 HD3 LYS 4 HD3 LYS 4 11.442 -1.771 8.082 22 HE2 LYS 4 HE2 LYS 4 8.747 -1.753 7.482 23 HE3 LYS 4 HE3 LYS 4 9.310 -3.275 6.793 24 HZ1 LYS 4 HZ1 LYS 4 8.596 -3.515 9.100 25 HZ2 LYS 4 HZ2 LYS 4 9.765 -2.397 9.593 26 HZ3 LYS 4 HZ3 LYS 4 10.240 -3.876 8.924 27 H LEU 5 H LEU 5 12.979 -0.637 5.515 28 HA LEU 5 HA LEU 5 14.782 -0.553 3.186 29 HB2 LEU 5 HB2 LEU 5 15.184 0.326 5.878 30 HB3 LEU 5 HB3 LEU 5 16.286 -1.004 5.529 31 HG LEU 5 HG LEU 5 16.820 0.417 3.386 32 HD11 LEU 5 HD11 LEU 5 16.688 2.807 3.782 33 HD12 LEU 5 HD12 LEU 5 15.869 2.527 5.318 34 HD13 LEU 5 HD13 LEU 5 15.077 2.091 3.804 35 HD21 LEU 5 HD21 LEU 5 18.292 -0.196 5.367 36 HD22 LEU 5 HD22 LEU 5 17.879 1.388 6.025 37 HD23 LEU 5 HD23 LEU 5 18.719 1.267 4.479 38 H CYS 6 H CYS 6 16.114 -2.377 2.824 39 HA CYS 6 HA CYS 6 15.196 -4.830 4.177 40 HB2 CYS 6 HB2 CYS 6 15.825 -4.336 1.271 41 HB3 CYS 6 HB3 CYS 6 15.803 -5.958 1.955 42 H GLU 7 H GLU 7 16.720 -6.378 4.695 43 HA GLU 7 HA GLU 7 19.524 -5.791 4.079 44 HB2 GLU 7 HB2 GLU 7 19.467 -4.845 6.202 45 HB3 GLU 7 HB3 GLU 7 18.288 -6.005 6.797 46 HG2 GLU 7 HG2 GLU 7 20.992 -6.973 6.024 47 HG3 GLU 7 HG3 GLU 7 20.792 -6.112 7.548 48 H LYS 8 H LYS 8 20.766 -7.558 3.726 49 HA LYS 8 HA LYS 8 19.488 -10.185 4.124 50 HB2 LYS 8 HB2 LYS 8 20.653 -8.966 1.779 51 HB3 LYS 8 HB3 LYS 8 21.497 -10.456 2.179 52 HG2 LYS 8 HG2 LYS 8 19.817 -11.144 0.736 53 HG3 LYS 8 HG3 LYS 8 19.161 -11.505 2.334 54 HD2 LYS 8 HD2 LYS 8 17.725 -9.637 2.279 55 HD3 LYS 8 HD3 LYS 8 18.580 -8.921 0.911 56 HE2 LYS 8 HE2 LYS 8 17.189 -11.573 0.694 57 HE3 LYS 8 HE3 LYS 8 16.326 -10.054 0.459 58 HZ1 LYS 8 HZ1 LYS 8 17.199 -11.107 -1.610 59 HZ2 LYS 8 HZ2 LYS 8 18.766 -10.789 -1.057 60 HZ3 LYS 8 HZ3 LYS 8 17.704 -9.510 -1.371 61 H THR 9 H THR 9 20.874 -11.968 4.623 62 HA THR 9 HA THR 9 23.427 -11.161 5.858 63 HB THR 9 HB THR 9 21.903 -13.530 6.867 64 HG1 THR 9 HG1 THR 9 20.458 -11.685 6.856 65 HG21 THR 9 HG21 THR 9 24.094 -11.759 7.771 66 HG22 THR 9 HG22 THR 9 23.857 -13.489 8.022 67 HG23 THR 9 HG23 THR 9 22.979 -12.326 9.014 68 H SER 10 H SER 10 23.884 -11.774 3.424 69 HA SER 10 HA SER 10 24.954 -13.163 1.974 70 HB2 SER 10 HB2 SER 10 26.616 -13.437 3.678 71 HB3 SER 10 HB3 SER 10 25.597 -14.562 4.576 72 HG SER 10 HG SER 10 26.449 -16.087 3.429 73 H LYS 11 H LYS 11 22.437 -13.539 1.639 74 HA LYS 11 HA LYS 11 21.652 -16.292 2.132 75 HB2 LYS 11 HB2 LYS 11 20.311 -13.803 1.405 76 HB3 LYS 11 HB3 LYS 11 19.740 -15.177 0.467 77 HG2 LYS 11 HG2 LYS 11 18.316 -15.212 2.266 78 HG3 LYS 11 HG3 LYS 11 19.567 -16.346 2.783 79 HD2 LYS 11 HD2 LYS 11 19.756 -15.115 4.633 80 HD3 LYS 11 HD3 LYS 11 20.500 -13.873 3.625 81 HE2 LYS 11 HE2 LYS 11 18.824 -12.537 4.231 82 HE3 LYS 11 HE3 LYS 11 17.779 -13.534 3.221 83 HZ1 LYS 11 HZ1 LYS 11 18.127 -13.574 6.137 84 HZ2 LYS 11 HZ2 LYS 11 17.666 -14.996 5.347 85 HZ3 LYS 11 HZ3 LYS 11 16.702 -13.611 5.226 86 H THR 12 H THR 12 23.698 -15.004 0.030 87 HA THR 12 HA THR 12 23.628 -17.165 -1.770 88 HB THR 12 HB THR 12 21.624 -15.903 -2.608 89 HG1 THR 12 HG1 THR 12 22.589 -17.216 -4.095 90 HG21 THR 12 HG21 THR 12 22.800 -13.644 -2.168 91 HG22 THR 12 HG22 THR 12 21.806 -13.806 -3.615 92 HG23 THR 12 HG23 THR 12 23.562 -13.910 -3.736 93 H TYR 13 H TYR 13 25.473 -15.591 -0.159 94 HA TYR 13 HA TYR 13 27.157 -14.183 -2.051 95 HB2 TYR 13 HB2 TYR 13 27.022 -13.238 0.151 96 HB3 TYR 13 HB3 TYR 13 27.443 -14.775 0.898 97 HD1 TYR 13 HD2 TYR 13 28.751 -11.951 -1.088 98 HD2 TYR 13 HD1 TYR 13 29.717 -15.446 1.138 99 HE1 TYR 13 HE2 TYR 13 31.124 -11.307 -1.117 100 HE2 TYR 13 HE1 TYR 13 32.093 -14.811 1.116 101 HH TYR 13 HH TYR 13 33.163 -11.752 -0.314 102 H SER 14 H SER 14 27.980 -16.685 0.345 103 HA SER 14 HA SER 14 29.360 -18.491 0.252 104 HB2 SER 14 HB2 SER 14 27.741 -18.738 -1.927 105 HB3 SER 14 HB3 SER 14 29.332 -18.742 -2.688 106 HG SER 14 HG SER 14 29.559 -20.705 -2.009 107 H GLY 15 H GLY 15 31.484 -19.270 -0.596 108 HA2 GLY 15 HA2 GLY 15 33.612 -18.913 -1.469 109 HA3 GLY 15 HA3 GLY 15 33.066 -17.366 -2.099 110 H LYS 16 H LYS 16 35.542 -17.587 -0.949 111 HA LYS 16 HA LYS 16 35.770 -17.120 1.772 112 HB2 LYS 16 HB2 LYS 16 37.905 -16.030 1.259 113 HB3 LYS 16 HB3 LYS 16 37.699 -17.501 0.317 114 HG2 LYS 16 HG2 LYS 16 36.682 -15.669 -1.391 115 HG3 LYS 16 HG3 LYS 16 37.906 -14.707 -0.558 116 HD2 LYS 16 HD2 LYS 16 39.127 -17.166 -1.100 117 HD3 LYS 16 HD3 LYS 16 38.231 -16.752 -2.564 118 HE2 LYS 16 HE2 LYS 16 39.304 -14.405 -2.231 119 HE3 LYS 16 HE3 LYS 16 40.454 -15.272 -1.215 120 HZ1 LYS 16 HZ1 LYS 16 41.240 -15.088 -3.492 121 HZ2 LYS 16 HZ2 LYS 16 39.861 -15.887 -4.060 122 HZ3 LYS 16 HZ3 LYS 16 40.973 -16.708 -3.084 123 H CYS 17 H CYS 17 35.155 -15.525 3.073 124 HA CYS 17 HA CYS 17 33.722 -13.278 2.096 125 HB2 CYS 17 HB2 CYS 17 33.502 -14.484 4.370 126 HB3 CYS 17 HB3 CYS 17 34.855 -13.477 4.877 127 H ASP 18 H ASP 18 34.246 -11.019 2.539 128 HA ASP 18 HA ASP 18 36.905 -10.210 3.140 129 HB2 ASP 18 HB2 ASP 18 36.511 -11.035 0.490 130 HB3 ASP 18 HB3 ASP 18 36.486 -9.274 0.434 131 H ASN 19 H ASN 19 37.049 -7.776 1.921 132 HA ASN 19 HA ASN 19 34.858 -6.367 3.221 133 HB2 ASN 19 HB2 ASN 19 37.555 -5.547 2.175 134 HB3 ASN 19 HB3 ASN 19 36.336 -4.338 2.564 135 HD21 ASN 19 HD22 ASN 19 38.990 -5.157 3.758 136 HD22 ASN 19 HD21 ASN 19 38.655 -5.333 5.444 137 H LYS 20 H LYS 20 36.626 -5.719 0.196 138 HA LYS 20 HA LYS 20 34.433 -4.373 -0.994 139 HB2 LYS 20 HB2 LYS 20 37.008 -4.273 -1.507 140 HB3 LYS 20 HB3 LYS 20 36.634 -5.574 -2.629 141 HG2 LYS 20 HG2 LYS 20 34.767 -3.394 -2.908 142 HG3 LYS 20 HG3 LYS 20 36.434 -2.843 -3.095 143 HD2 LYS 20 HD2 LYS 20 35.879 -5.353 -4.480 144 HD3 LYS 20 HD3 LYS 20 34.896 -4.004 -5.055 145 HE2 LYS 20 HE2 LYS 20 36.693 -3.608 -6.360 146 HE3 LYS 20 HE3 LYS 20 37.301 -2.805 -4.913 147 HZ1 LYS 20 HZ1 LYS 20 38.346 -4.977 -4.315 148 HZ2 LYS 20 HZ2 LYS 20 38.995 -4.238 -5.691 149 HZ3 LYS 20 HZ3 LYS 20 37.933 -5.544 -5.855 150 H LYS 21 H LYS 21 35.571 -7.682 -1.064 151 HA LYS 21 HA LYS 21 34.105 -8.599 -3.277 152 HB2 LYS 21 HB2 LYS 21 34.960 -10.096 -0.792 153 HB3 LYS 21 HB3 LYS 21 34.387 -10.846 -2.277 154 HG2 LYS 21 HG2 LYS 21 36.860 -9.148 -2.008 155 HG3 LYS 21 HG3 LYS 21 36.818 -10.910 -2.111 156 HD2 LYS 21 HD2 LYS 21 37.120 -10.547 -4.313 157 HD3 LYS 21 HD3 LYS 21 35.383 -10.234 -4.309 158 HE2 LYS 21 HE2 LYS 21 35.726 -8.128 -4.927 159 HE3 LYS 21 HE3 LYS 21 36.778 -7.859 -3.538 160 HZ1 LYS 21 HZ1 LYS 21 37.869 -7.443 -5.692 161 HZ2 LYS 21 HZ2 LYS 21 37.665 -9.072 -6.098 162 HZ3 LYS 21 HZ3 LYS 21 38.646 -8.643 -4.788 163 H CYS 22 H CYS 22 33.277 -8.403 0.161 164 HA CYS 22 HA CYS 22 30.793 -9.704 0.012 165 HB2 CYS 22 HB2 CYS 22 32.313 -8.320 1.985 166 HB3 CYS 22 HB3 CYS 22 30.679 -7.665 2.004 167 H ASP 23 H ASP 23 31.531 -6.216 0.022 168 HA ASP 23 HA ASP 23 28.932 -5.289 -0.344 169 HB2 ASP 23 HB2 ASP 23 30.942 -3.897 0.230 170 HB3 ASP 23 HB3 ASP 23 31.430 -4.003 -1.459 171 H LYS 24 H LYS 24 31.438 -5.778 -2.835 172 HA LYS 24 HA LYS 24 29.857 -5.200 -5.052 173 HB2 LYS 24 HB2 LYS 24 32.253 -5.380 -5.258 174 HB3 LYS 24 HB3 LYS 24 32.213 -7.070 -4.775 175 HG2 LYS 24 HG2 LYS 24 30.983 -7.619 -6.820 176 HG3 LYS 24 HG3 LYS 24 31.052 -5.923 -7.307 177 HD2 LYS 24 HD2 LYS 24 33.200 -6.073 -7.963 178 HD3 LYS 24 HD3 LYS 24 33.646 -7.108 -6.604 179 HE2 LYS 24 HE2 LYS 24 32.235 -8.894 -7.901 180 HE3 LYS 24 HE3 LYS 24 32.554 -7.846 -9.283 181 HZ1 LYS 24 HZ1 LYS 24 34.954 -8.217 -7.896 182 HZ2 LYS 24 HZ2 LYS 24 34.553 -8.747 -9.452 183 HZ3 LYS 24 HZ3 LYS 24 34.252 -9.741 -8.116 184 H LYS 25 H LYS 25 30.528 -8.355 -3.551 185 HA LYS 25 HA LYS 25 28.945 -9.886 -5.295 186 HB2 LYS 25 HB2 LYS 25 30.675 -10.739 -3.661 187 HB3 LYS 25 HB3 LYS 25 29.482 -10.509 -2.389 188 HG2 LYS 25 HG2 LYS 25 28.290 -12.323 -2.991 189 HG3 LYS 25 HG3 LYS 25 28.595 -12.087 -4.713 190 HD2 LYS 25 HD2 LYS 25 31.077 -12.699 -3.527 191 HD3 LYS 25 HD3 LYS 25 29.906 -13.843 -2.867 192 HE2 LYS 25 HE2 LYS 25 29.194 -13.926 -5.448 193 HE3 LYS 25 HE3 LYS 25 30.897 -13.511 -5.637 194 HZ1 LYS 25 HZ1 LYS 25 29.773 -16.012 -5.068 195 HZ2 LYS 25 HZ2 LYS 25 30.702 -15.549 -3.733 196 HZ3 LYS 25 HZ3 LYS 25 31.406 -15.618 -5.270 197 H CYS 26 H CYS 26 28.112 -7.805 -2.683 198 HA CYS 26 HA CYS 26 25.524 -8.962 -2.190 199 HB2 CYS 26 HB2 CYS 26 27.019 -6.569 -1.215 200 HB3 CYS 26 HB3 CYS 26 25.270 -6.597 -1.023 201 H ILE 27 H ILE 27 26.770 -6.122 -3.903 202 HA ILE 27 HA ILE 27 24.146 -5.305 -4.768 203 HB ILE 27 HB ILE 27 26.791 -4.329 -5.836 204 HG12 ILE 27 HG12 ILE 27 25.571 -2.573 -3.901 205 HG13 ILE 27 HG13 ILE 27 25.859 -4.154 -3.184 206 HG21 ILE 27 HG21 ILE 27 24.015 -3.162 -5.786 207 HG22 ILE 27 HG22 ILE 27 25.457 -2.253 -6.236 208 HG23 ILE 27 HG23 ILE 27 24.955 -3.643 -7.198 209 HD11 ILE 27 HD11 ILE 27 27.824 -3.080 -2.724 210 HD12 ILE 27 HD12 ILE 27 28.225 -3.873 -4.248 211 HD13 ILE 27 HD13 ILE 27 27.802 -2.161 -4.228 212 H GLU 28 H GLU 28 26.564 -7.453 -5.885 213 HA GLU 28 HA GLU 28 25.703 -7.372 -8.654 214 HB2 GLU 28 HB2 GLU 28 27.800 -8.888 -7.137 215 HB3 GLU 28 HB3 GLU 28 27.316 -9.420 -8.741 216 HG2 GLU 28 HG2 GLU 28 27.761 -6.681 -8.990 217 HG3 GLU 28 HG3 GLU 28 29.070 -7.275 -7.969 218 H TRP 29 H TRP 29 25.360 -9.441 -5.831 219 HA TRP 29 HA TRP 29 23.654 -11.266 -7.372 220 HB2 TRP 29 HB2 TRP 29 24.972 -11.557 -4.667 221 HB3 TRP 29 HB3 TRP 29 23.841 -12.732 -5.333 222 HD1 TRP 29 HD1 TRP 29 26.938 -10.987 -6.917 223 HE1 TRP 29 HE1 TRP 29 28.430 -12.817 -7.939 224 HE3 TRP 29 HE3 TRP 29 24.208 -15.098 -5.582 225 HZ2 TRP 29 HZ2 TRP 29 28.448 -15.632 -8.153 226 HZ3 TRP 29 HZ3 TRP 29 25.032 -17.323 -6.234 227 HH2 TRP 29 HH2 TRP 29 27.108 -17.582 -7.494 228 H GLU 30 H GLU 30 23.703 -9.449 -4.314 229 HA GLU 30 HA GLU 30 20.821 -9.819 -4.039 230 HB2 GLU 30 HB2 GLU 30 22.490 -8.230 -2.125 231 HB3 GLU 30 HB3 GLU 30 21.042 -9.176 -1.814 232 HG2 GLU 30 HG2 GLU 30 22.333 -11.236 -2.183 233 HG3 GLU 30 HG3 GLU 30 23.783 -10.261 -2.420 234 H LYS 31 H LYS 31 22.821 -7.726 -5.594 235 HA LYS 31 HA LYS 31 22.702 -5.545 -6.284 236 HB2 LYS 31 HB2 LYS 31 19.768 -6.278 -6.295 237 HB3 LYS 31 HB3 LYS 31 20.473 -4.911 -7.147 238 HG2 LYS 31 HG2 LYS 31 21.339 -7.741 -7.650 239 HG3 LYS 31 HG3 LYS 31 19.999 -6.984 -8.514 240 HD2 LYS 31 HD2 LYS 31 21.365 -5.667 -9.742 241 HD3 LYS 31 HD3 LYS 31 22.502 -5.428 -8.414 242 HE2 LYS 31 HE2 LYS 31 23.859 -6.962 -9.271 243 HE3 LYS 31 HE3 LYS 31 22.574 -8.166 -9.205 244 HZ1 LYS 31 HZ1 LYS 31 23.663 -7.529 -11.462 245 HZ2 LYS 31 HZ2 LYS 31 22.592 -6.222 -11.405 246 HZ3 LYS 31 HZ3 LYS 31 21.996 -7.805 -11.375 247 H ALA 32 H ALA 32 22.822 -5.776 -3.464 248 HA ALA 32 HA ALA 32 20.879 -4.019 -2.282 249 HB1 ALA 32 HB1 ALA 32 22.113 -4.285 -0.249 250 HB2 ALA 32 HB2 ALA 32 22.020 -5.857 -1.045 251 HB3 ALA 32 HB3 ALA 32 23.511 -4.917 -1.120 252 H GLN 33 H GLN 33 22.375 -2.396 -0.640 253 HA GLN 33 HA GLN 33 23.558 -0.525 -2.577 254 HB2 GLN 33 HB2 GLN 33 21.489 -0.130 -0.781 255 HB3 GLN 33 HB3 GLN 33 22.873 0.591 0.030 256 HG2 GLN 33 HG2 GLN 33 23.027 1.482 -2.607 257 HG3 GLN 33 HG3 GLN 33 21.320 1.579 -2.178 258 HE21 GLN 33 HE22 GLN 33 24.538 2.678 -1.411 259 HE22 GLN 33 HE21 GLN 33 24.060 4.043 -0.465 260 H HIS 34 H HIS 34 23.985 -2.046 0.561 261 HA HIS 34 HA HIS 34 26.833 -1.396 0.435 262 HB2 HIS 34 HB2 HIS 34 24.997 -0.190 2.268 263 HB3 HIS 34 HB3 HIS 34 26.089 -1.237 3.171 264 HD1 HIS 34 HD1 HIS 34 28.761 -0.801 2.307 265 HD2 HIS 34 HD2 HIS 34 26.004 2.296 2.045 266 HE1 HIS 34 HE1 HIS 34 30.127 1.307 2.183 267 H GLY 35 H GLY 35 28.182 -2.821 1.643 268 HA2 GLY 35 HA2 GLY 35 26.830 -5.271 2.582 269 HA3 GLY 35 HA3 GLY 35 28.202 -5.359 1.487 270 H ALA 36 H ALA 36 28.304 -6.705 3.849 271 HA ALA 36 HA ALA 36 30.585 -5.457 5.103 272 HB1 ALA 36 HB1 ALA 36 28.470 -6.261 7.035 273 HB2 ALA 36 HB2 ALA 36 29.769 -5.079 7.206 274 HB3 ALA 36 HB3 ALA 36 28.341 -4.689 6.247 275 H CYS 37 H CYS 37 31.695 -6.909 6.593 276 HA CYS 37 HA CYS 37 30.947 -9.734 6.240 277 HB2 CYS 37 HB2 CYS 37 32.802 -9.129 4.711 278 HB3 CYS 37 HB3 CYS 37 33.757 -8.620 6.100 279 H HIS 38 H HIS 38 31.166 -11.028 8.000 280 HA HIS 38 HA HIS 38 32.591 -10.031 10.345 281 HB2 HIS 38 HB2 HIS 38 29.835 -9.738 10.135 282 HB3 HIS 38 HB3 HIS 38 30.031 -11.192 11.109 283 HD1 HIS 38 HD1 HIS 38 32.172 -8.061 11.208 284 HD2 HIS 38 HD2 HIS 38 29.563 -10.225 13.610 285 HE1 HIS 38 HE1 HIS 38 32.273 -6.964 13.469 286 H LYS 39 H LYS 39 33.114 -11.658 11.881 287 HA LYS 39 HA LYS 39 33.207 -14.331 10.694 288 HB2 LYS 39 HB2 LYS 39 34.980 -14.798 12.292 289 HB3 LYS 39 HB3 LYS 39 35.329 -13.309 11.423 290 HG2 LYS 39 HG2 LYS 39 35.765 -12.491 13.457 291 HG3 LYS 39 HG3 LYS 39 34.010 -12.348 13.588 292 HD2 LYS 39 HD2 LYS 39 34.134 -14.792 14.457 293 HD3 LYS 39 HD3 LYS 39 35.836 -14.421 14.744 294 HE2 LYS 39 HE2 LYS 39 34.417 -12.239 15.760 295 HE3 LYS 39 HE3 LYS 39 33.505 -13.661 16.264 296 HZ1 LYS 39 HZ1 LYS 39 36.427 -13.358 16.671 297 HZ2 LYS 39 HZ2 LYS 39 35.421 -14.554 17.317 298 HZ3 LYS 39 HZ3 LYS 39 35.272 -12.952 17.839 299 H ARG 40 H ARG 40 32.095 -16.007 11.487 300 HA ARG 40 HA ARG 40 30.751 -15.664 14.087 301 HB2 ARG 40 HB2 ARG 40 29.528 -15.913 11.621 302 HB3 ARG 40 HB3 ARG 40 29.476 -17.552 12.258 303 HG2 ARG 40 HG2 ARG 40 27.537 -16.787 13.131 304 HG3 ARG 40 HG3 ARG 40 28.623 -16.265 14.420 305 HD2 ARG 40 HD2 ARG 40 28.719 -14.186 12.605 306 HD3 ARG 40 HD3 ARG 40 27.030 -14.690 12.565 307 HE ARG 40 HE ARG 40 27.852 -14.478 15.239 308 HH11 ARG 40 HH12 ARG 40 27.213 -12.468 12.469 309 HH12 ARG 40 HH11 ARG 40 26.755 -11.089 13.412 310 HH21 ARG 40 HH22 ARG 40 27.251 -12.669 16.491 311 HH22 ARG 40 HH21 ARG 40 26.778 -11.204 15.700 312 H GLU 41 H GLU 41 30.108 -17.790 15.089 313 HA GLU 41 HA GLU 41 32.278 -19.328 15.720 314 HB2 GLU 41 HB2 GLU 41 29.336 -19.813 15.836 315 HB3 GLU 41 HB3 GLU 41 30.416 -21.160 16.165 316 HG2 GLU 41 HG2 GLU 41 30.389 -20.436 18.267 317 HG3 GLU 41 HG3 GLU 41 31.491 -19.181 17.705 318 H ALA 42 H ALA 42 32.662 -21.665 15.279 319 HA ALA 42 HA ALA 42 33.267 -23.323 13.842 320 HB1 ALA 42 HB1 ALA 42 30.536 -22.907 13.476 321 HB2 ALA 42 HB2 ALA 42 31.207 -23.014 11.848 322 HB3 ALA 42 HB3 ALA 42 31.471 -24.324 12.999 323 H GLY 43 H GLY 43 33.982 -20.420 13.310 324 HA2 GLY 43 HA2 GLY 43 35.199 -19.250 11.755 325 HA3 GLY 43 HA3 GLY 43 35.594 -20.816 11.061 326 H LYS 44 H LYS 44 32.378 -19.390 11.329 327 HA LYS 44 HA LYS 44 32.183 -19.492 8.398 328 HB2 LYS 44 HB2 LYS 44 29.866 -19.227 10.304 329 HB3 LYS 44 HB3 LYS 44 29.846 -19.772 8.632 330 HG2 LYS 44 HG2 LYS 44 30.902 -21.833 9.219 331 HG3 LYS 44 HG3 LYS 44 31.181 -21.276 10.870 332 HD2 LYS 44 HD2 LYS 44 28.427 -21.526 9.682 333 HD3 LYS 44 HD3 LYS 44 29.226 -22.857 10.523 334 HE2 LYS 44 HE2 LYS 44 29.327 -21.612 12.553 335 HE3 LYS 44 HE3 LYS 44 28.815 -20.133 11.742 336 HZ1 LYS 44 HZ1 LYS 44 26.734 -21.573 11.180 337 HZ2 LYS 44 HZ2 LYS 44 26.867 -20.816 12.687 338 HZ3 LYS 44 HZ3 LYS 44 27.220 -22.463 12.534 339 H GLU 45 H GLU 45 32.504 -17.604 7.431 340 HA GLU 45 HA GLU 45 32.045 -15.112 8.832 341 HB2 GLU 45 HB2 GLU 45 33.506 -15.980 6.448 342 HB3 GLU 45 HB3 GLU 45 32.683 -14.441 6.238 343 HG2 GLU 45 HG2 GLU 45 33.976 -13.374 7.783 344 HG3 GLU 45 HG3 GLU 45 34.293 -14.846 8.699 345 H SER 46 H SER 46 30.294 -13.871 8.669 346 HA SER 46 HA SER 46 28.269 -14.600 6.667 347 HB2 SER 46 HB2 SER 46 27.111 -12.844 8.524 348 HB3 SER 46 HB3 SER 46 26.882 -14.590 8.430 349 HG SER 46 HG SER 46 28.186 -13.139 10.293 350 H CYS 47 H CYS 47 27.232 -13.013 5.442 351 HA CYS 47 HA CYS 47 28.671 -10.446 5.303 352 HB2 CYS 47 HB2 CYS 47 28.758 -12.102 3.323 353 HB3 CYS 47 HB3 CYS 47 27.087 -11.628 3.035 354 H PHE 48 H PHE 48 27.558 -8.719 5.900 355 HA PHE 48 HA PHE 48 24.620 -8.861 5.884 356 HB2 PHE 48 HB2 PHE 48 26.577 -7.773 7.768 357 HB3 PHE 48 HB3 PHE 48 25.279 -6.645 7.390 358 HD1 PHE 48 HD2 PHE 48 22.911 -8.153 7.175 359 HD2 PHE 48 HD1 PHE 48 26.217 -8.809 9.774 360 HE1 PHE 48 HE2 PHE 48 21.433 -9.326 8.753 361 HE2 PHE 48 HE1 PHE 48 24.744 -9.984 11.357 362 HZ PHE 48 HZ PHE 48 22.348 -10.242 10.848 363 H CYS 49 H CYS 49 23.570 -7.692 4.429 364 HA CYS 49 HA CYS 49 24.856 -5.264 3.369 365 HB2 CYS 49 HB2 CYS 49 23.022 -6.757 1.580 366 HB3 CYS 49 HB3 CYS 49 24.486 -5.857 1.196 367 H TYR 50 H TYR 50 23.477 -3.556 2.795 368 HA TYR 50 HA TYR 50 20.669 -3.834 3.620 369 HB2 TYR 50 HB2 TYR 50 22.314 -1.391 4.269 370 HB3 TYR 50 HB3 TYR 50 20.717 -1.817 4.875 371 HD1 TYR 50 HD2 TYR 50 24.311 -2.654 5.066 372 HD2 TYR 50 HD1 TYR 50 20.459 -3.211 6.784 373 HE1 TYR 50 HE2 TYR 50 25.347 -3.711 7.030 374 HE2 TYR 50 HE1 TYR 50 21.484 -4.269 8.754 375 HH TYR 50 HH TYR 50 24.595 -4.001 9.574 376 H PHE 51 H PHE 51 19.210 -2.828 2.343 377 HA PHE 51 HA PHE 51 20.069 -0.795 0.451 378 HB2 PHE 51 HB2 PHE 51 18.999 -2.032 -1.456 379 HB3 PHE 51 HB3 PHE 51 20.481 -2.766 -0.854 380 HD1 PHE 51 HD1 PHE 51 20.232 -4.689 0.827 381 HD2 PHE 51 HD2 PHE 51 17.060 -3.286 -1.640 382 HE1 PHE 51 HE1 PHE 51 19.047 -6.822 1.143 383 HE2 PHE 51 HE2 PHE 51 15.870 -5.416 -1.327 384 HZ PHE 51 HZ PHE 51 16.863 -7.187 0.067 385 H ASP 52 H ASP 52 18.363 0.445 -0.401 386 HA ASP 52 HA ASP 52 16.127 0.727 1.317 387 HB2 ASP 52 HB2 ASP 52 15.347 2.320 -0.566 388 HB3 ASP 52 HB3 ASP 52 16.823 2.720 0.309 389 H CYS 53 H CYS 53 14.038 0.092 1.117 390 HA CYS 53 HA CYS 53 13.332 -1.504 -1.256 391 HB2 CYS 53 HB2 CYS 53 13.364 -2.274 1.556 392 HB3 CYS 53 HB3 CYS 53 11.791 -2.534 0.810 393 H SER 54 H SER 54 11.198 -1.386 -1.966 394 HA SER 54 HA SER 54 9.172 -0.430 -2.361 395 HB2 SER 54 HB2 SER 54 9.429 -0.400 0.556 396 HB3 SER 54 HB3 SER 54 8.363 0.862 -0.060 397 HG SER 54 HG SER 54 8.162 -1.937 -0.413 398 H LYS 55 H LYS 55 10.235 1.901 0.083 399 HA LYS 55 HA LYS 55 10.725 3.883 -2.018 400 HB2 LYS 55 HB2 LYS 55 8.356 3.836 -0.578 401 HB3 LYS 55 HB3 LYS 55 9.329 5.028 0.274 402 HG2 LYS 55 HG2 LYS 55 8.399 6.412 -1.242 403 HG3 LYS 55 HG3 LYS 55 9.751 5.854 -2.231 404 HD2 LYS 55 HD2 LYS 55 7.479 4.060 -2.393 405 HD3 LYS 55 HD3 LYS 55 7.052 5.705 -2.870 406 HE2 LYS 55 HE2 LYS 55 8.766 5.744 -4.530 407 HE3 LYS 55 HE3 LYS 55 9.449 4.228 -3.943 408 HZ1 LYS 55 HZ1 LYS 55 7.521 4.568 -5.910 409 HZ2 LYS 55 HZ2 LYS 55 6.732 3.854 -4.595 410 HZ3 LYS 55 HZ3 LYS 55 8.094 3.111 -5.269 411 H SER 56 H SER 56 11.140 2.781 1.265 412 HA SER 56 HA SER 56 12.624 3.320 2.911 413 HB2 SER 56 HB2 SER 56 14.920 3.540 2.213 414 HB3 SER 56 HB3 SER 56 14.127 2.409 1.118 415 HG SER 56 HG SER 56 15.270 4.823 0.592 416 HA PRO 57 HA PRO 57 11.655 7.830 2.705 417 HB2 PRO 57 HB2 PRO 57 10.570 7.929 5.192 418 HB3 PRO 57 HB3 PRO 57 9.644 7.475 3.757 419 HG2 PRO 57 HG2 PRO 57 10.891 5.723 5.839 420 HG3 PRO 57 HG3 PRO 57 9.295 5.593 5.077 421 HD2 PRO 57 HD2 PRO 57 11.401 4.070 4.316 422 HD3 PRO 57 HD3 PRO 57 10.143 4.595 3.179 423 HA PRO 58 HA PRO 58 15.056 9.319 5.061 424 HB2 PRO 58 HB2 PRO 58 14.112 11.626 6.137 425 HB3 PRO 58 HB3 PRO 58 14.477 11.448 4.417 426 HG2 PRO 58 HG2 PRO 58 11.837 11.295 5.819 427 HG3 PRO 58 HG3 PRO 58 12.248 12.099 4.293 428 HD2 PRO 58 HD2 PRO 58 11.030 9.682 4.385 429 HD3 PRO 58 HD3 PRO 58 12.155 10.136 3.089 430 H GLY 59 H GLY 59 14.740 7.419 6.559 431 HA2 GLY 59 HA2 GLY 59 15.241 7.920 9.140 432 HA3 GLY 59 HA3 GLY 59 13.487 8.021 9.111 433 H ALA 60 H ALA 60 13.329 6.236 10.519 434 HA ALA 60 HA ALA 60 13.169 4.036 11.100 435 HB1 ALA 60 HB1 ALA 60 11.614 4.220 9.128 436 HB2 ALA 60 HB2 ALA 60 12.906 3.527 8.146 437 HB3 ALA 60 HB3 ALA 60 12.214 2.598 9.476 438 H THR 61 H THR 61 13.937 1.677 9.984 439 HA THR 61 HA THR 61 16.691 1.841 9.110 440 HB THR 61 HB THR 61 17.072 0.083 11.162 441 HG1 THR 61 HG1 THR 61 15.121 0.608 12.181 442 HG21 THR 61 HG21 THR 61 18.493 1.732 12.113 443 HG22 THR 61 HG22 THR 61 17.526 3.048 11.447 444 HG23 THR 61 HG23 THR 61 18.485 2.029 10.375 445 HA PRO 62 HA PRO 62 15.798 -2.017 7.218 446 HB2 PRO 62 HB2 PRO 62 18.187 -3.299 7.352 447 HB3 PRO 62 HB3 PRO 62 17.891 -1.931 6.273 448 HG2 PRO 62 HG2 PRO 62 19.242 -1.980 8.944 449 HG3 PRO 62 HG3 PRO 62 19.713 -1.118 7.468 450 HD2 PRO 62 HD2 PRO 62 18.442 0.102 9.524 451 HD3 PRO 62 HD3 PRO 62 18.207 0.588 7.832 452 H ALA 63 H ALA 63 14.995 -3.988 7.733 453 HA ALA 63 HA ALA 63 14.374 -5.801 8.961 454 HB1 ALA 63 HB1 ALA 63 16.571 -5.743 10.883 455 HB2 ALA 63 HB2 ALA 63 16.072 -7.013 9.765 456 HB3 ALA 63 HB3 ALA 63 17.099 -5.695 9.201 457 HA PRO 64 HA PRO 64 12.250 -4.367 12.522 458 HB2 PRO 64 HB2 PRO 64 11.978 -6.633 13.992 459 HB3 PRO 64 HB3 PRO 64 11.076 -6.342 12.500 460 HG2 PRO 64 HG2 PRO 64 13.552 -7.970 12.930 461 HG3 PRO 64 HG3 PRO 64 12.117 -8.350 11.960 462 HD2 PRO 64 HD2 PRO 64 14.415 -7.427 10.864 463 HD3 PRO 64 HD3 PRO 64 12.816 -7.051 10.188 464 HA PRO 65 HA PRO 65 14.911 -3.466 15.904 465 HB2 PRO 65 HB2 PRO 65 13.218 -3.495 18.027 466 HB3 PRO 65 HB3 PRO 65 13.204 -2.218 16.804 467 HG2 PRO 65 HG2 PRO 65 11.420 -4.608 17.067 468 HG3 PRO 65 HG3 PRO 65 10.995 -2.934 16.669 469 HD2 PRO 65 HD2 PRO 65 11.225 -4.866 14.786 470 HD3 PRO 65 HD3 PRO 65 11.624 -3.166 14.463 471 H GLY 66 H GLY 66 16.162 -4.402 17.498 472 HA2 GLY 66 HA2 GLY 66 16.135 -6.149 19.324 473 HA3 GLY 66 HA3 GLY 66 15.559 -7.236 18.070 474 H ALA 67 H ALA 67 18.065 -4.760 17.780 475 HA ALA 67 HA ALA 67 20.265 -6.519 18.046 476 HB1 ALA 67 HB1 ALA 67 20.090 -7.570 16.072 477 HB2 ALA 67 HB2 ALA 67 19.006 -6.349 15.404 478 HB3 ALA 67 HB3 ALA 67 20.748 -6.074 15.409 479 H ALA 68 H ALA 68 21.760 -5.184 18.802 480 HA ALA 68 HA ALA 68 21.922 -2.463 17.679 481 HB1 ALA 68 HB1 ALA 68 22.616 -1.643 19.762 482 HB2 ALA 68 HB2 ALA 68 21.301 -2.758 20.135 483 HB3 ALA 68 HB3 ALA 68 22.976 -3.257 20.376 484 HA PRO 69 HA PRO 69 25.819 -4.683 16.474 485 HB2 PRO 69 HB2 PRO 69 25.852 -3.729 13.932 486 HB3 PRO 69 HB3 PRO 69 24.973 -5.190 14.398 487 HG2 PRO 69 HG2 PRO 69 23.944 -2.408 13.994 488 HG3 PRO 69 HG3 PRO 69 23.237 -3.948 13.475 489 HD2 PRO 69 HD2 PRO 69 22.374 -2.614 15.668 490 HD3 PRO 69 HD3 PRO 69 22.349 -4.386 15.556 491 HA PRO 70 HA PRO 70 28.529 -1.252 16.931 492 HB2 PRO 70 HB2 PRO 70 30.591 -1.891 15.285 493 HB3 PRO 70 HB3 PRO 70 30.284 -2.730 16.809 494 HG2 PRO 70 HG2 PRO 70 29.572 -3.548 14.019 495 HG3 PRO 70 HG3 PRO 70 30.235 -4.531 15.338 496 HD2 PRO 70 HD2 PRO 70 27.608 -4.553 14.684 497 HD3 PRO 70 HD3 PRO 70 28.180 -4.789 16.348 498 HA PRO 71 HA PRO 71 28.047 1.801 13.803 499 HB2 PRO 71 HB2 PRO 71 30.371 3.196 13.961 500 HB3 PRO 71 HB3 PRO 71 29.115 3.279 15.201 501 HG2 PRO 71 HG2 PRO 71 31.646 1.681 15.174 502 HG3 PRO 71 HG3 PRO 71 30.923 2.609 16.501 503 HD2 PRO 71 HD2 PRO 71 30.689 -0.082 16.308 504 HD3 PRO 71 HD3 PRO 71 29.422 0.938 17.019 505 H ALA 72 H ALA 72 30.974 -0.135 13.673 506 HA ALA 72 HA ALA 72 30.760 -0.621 10.910 507 HB1 ALA 72 HB1 ALA 72 32.473 1.664 11.720 508 HB2 ALA 72 HB2 ALA 72 33.067 0.594 10.450 509 HB3 ALA 72 HB3 ALA 72 31.523 1.424 10.254 510 H ALA 73 H ALA 73 32.206 -2.191 10.202 511 HA ALA 73 HA ALA 73 33.791 -3.426 12.340 512 HB1 ALA 73 HB1 ALA 73 32.611 -4.521 9.801 513 HB2 ALA 73 HB2 ALA 73 33.777 -5.418 10.775 514 HB3 ALA 73 HB3 ALA 73 32.222 -4.955 11.466 515 H GLY 74 H GLY 74 34.011 -2.768 8.837 516 HA2 GLY 74 HA2 GLY 74 36.871 -2.225 9.197 517 HA3 GLY 74 HA3 GLY 74 36.398 -3.448 8.027 518 H GLY 75 H GLY 75 37.207 -2.349 6.251 519 HA2 GLY 75 HA2 GLY 75 36.496 0.383 5.720 520 HA3 GLY 75 HA3 GLY 75 37.335 -0.708 4.628 521 H SER 76 H SER 76 35.845 -2.546 3.795 522 HA SER 76 HA SER 76 34.183 -2.998 2.293 523 HB2 SER 76 HB2 SER 76 31.945 -2.909 3.202 524 HB3 SER 76 HB3 SER 76 33.054 -3.352 4.500 525 HG SER 76 HG SER 76 31.526 -1.714 5.095 526 HA PRO 77 HA PRO 77 34.069 1.407 0.756 527 HB2 PRO 77 HB2 PRO 77 35.377 0.895 -1.567 528 HB3 PRO 77 HB3 PRO 77 36.213 1.296 -0.062 529 HG2 PRO 77 HG2 PRO 77 35.739 -1.384 -1.309 530 HG3 PRO 77 HG3 PRO 77 37.208 -0.749 -0.546 531 HD2 PRO 77 HD2 PRO 77 35.511 -2.429 0.731 532 HD3 PRO 77 HD3 PRO 77 36.437 -1.177 1.584 533 H SER 78 H SER 78 32.905 2.222 -1.068 534 HA SER 78 HA SER 78 31.258 0.208 -2.452 535 HB2 SER 78 HB2 SER 78 29.417 1.961 -2.396 536 HB3 SER 78 HB3 SER 78 29.807 1.211 -0.849 537 HG SER 78 HG SER 78 29.759 3.756 -1.362 538 HA PRO 79 HA PRO 79 33.449 2.972 -5.501 539 HB2 PRO 79 HB2 PRO 79 34.383 0.944 -7.044 540 HB3 PRO 79 HB3 PRO 79 35.258 1.562 -5.638 541 HG2 PRO 79 HG2 PRO 79 33.516 -0.862 -5.870 542 HG3 PRO 79 HG3 PRO 79 35.078 -0.680 -5.050 543 HD2 PRO 79 HD2 PRO 79 32.720 -0.646 -3.719 544 HD3 PRO 79 HD3 PRO 79 34.129 0.295 -3.189 545 HA PRO 80 HA PRO 80 30.327 2.799 -8.592 546 HB2 PRO 80 HB2 PRO 80 31.700 3.366 -10.865 547 HB3 PRO 80 HB3 PRO 80 31.366 4.573 -9.618 548 HG2 PRO 80 HG2 PRO 80 33.863 2.997 -10.108 549 HG3 PRO 80 HG3 PRO 80 33.685 4.716 -9.710 550 HD2 PRO 80 HD2 PRO 80 34.360 2.856 -7.862 551 HD3 PRO 80 HD3 PRO 80 33.402 4.296 -7.462 552 H ALA 81 H ALA 81 29.948 0.494 -8.350 553 HA ALA 81 HA ALA 81 31.040 -1.087 -10.586 554 HB1 ALA 81 HB1 ALA 81 30.632 -3.088 -9.216 555 HB2 ALA 81 HB2 ALA 81 31.768 -1.976 -8.453 556 HB3 ALA 81 HB3 ALA 81 30.099 -2.055 -7.890 557 H ASP 82 H ASP 82 29.537 -2.897 -11.265 558 HA ASP 82 HA ASP 82 27.567 -3.578 -12.178 559 HB2 ASP 82 HB2 ASP 82 26.972 -3.196 -9.594 560 HB3 ASP 82 HB3 ASP 82 25.920 -1.971 -10.297 561 H GLY 83 H GLY 83 25.351 -2.643 -13.019 562 HA2 GLY 83 HA2 GLY 83 25.372 0.167 -13.650 563 HA3 GLY 83 HA3 GLY 83 25.809 -0.851 -15.014 564 H GLY 84 H GLY 84 24.229 -1.757 -16.199 565 HA2 GLY 84 HA2 GLY 84 21.471 -1.286 -15.289 566 HA3 GLY 84 HA3 GLY 84 21.973 -1.505 -16.959 567 H SER 85 H SER 85 20.962 -3.049 -14.052 568 HA SER 85 HA SER 85 20.387 -5.478 -15.471 569 HB2 SER 85 HB2 SER 85 22.670 -5.333 -13.544 570 HB3 SER 85 HB3 SER 85 21.689 -6.797 -13.587 571 HG SER 85 HG SER 85 23.301 -7.092 -15.058 572 HA PRO 86 HA PRO 86 17.625 -4.321 -11.893 573 HB2 PRO 86 HB2 PRO 86 15.331 -4.301 -13.345 574 HB3 PRO 86 HB3 PRO 86 16.375 -2.885 -13.179 575 HG2 PRO 86 HG2 PRO 86 16.194 -4.849 -15.430 576 HG3 PRO 86 HG3 PRO 86 16.327 -3.082 -15.495 577 HD2 PRO 86 HD2 PRO 86 18.448 -4.719 -15.888 578 HD3 PRO 86 HD3 PRO 86 18.604 -3.115 -15.142 579 HA PRO 87 HA PRO 87 16.150 -8.394 -11.139 580 HB2 PRO 87 HB2 PRO 87 13.777 -7.954 -9.895 581 HB3 PRO 87 HB3 PRO 87 15.338 -7.636 -9.128 582 HG2 PRO 87 HG2 PRO 87 13.457 -5.725 -10.459 583 HG3 PRO 87 HG3 PRO 87 14.360 -5.534 -8.945 584 HD2 PRO 87 HD2 PRO 87 15.169 -4.417 -11.275 585 HD3 PRO 87 HD3 PRO 87 16.312 -4.971 -10.034 586 HA PRO 88 HA PRO 88 13.346 -9.845 -14.200 587 HB2 PRO 88 HB2 PRO 88 12.090 -11.897 -12.941 588 HB3 PRO 88 HB3 PRO 88 13.778 -11.978 -13.462 589 HG2 PRO 88 HG2 PRO 88 12.660 -11.405 -10.744 590 HG3 PRO 88 HG3 PRO 88 14.031 -12.435 -11.196 591 HD2 PRO 88 HD2 PRO 88 14.350 -9.926 -10.227 592 HD3 PRO 88 HD3 PRO 88 15.469 -10.646 -11.403 593 HA PRO 89 HA PRO 89 9.291 -8.193 -13.797 594 HB2 PRO 89 HB2 PRO 89 7.787 -9.933 -15.239 595 HB3 PRO 89 HB3 PRO 89 8.920 -8.798 -15.982 596 HG2 PRO 89 HG2 PRO 89 9.277 -11.707 -15.375 597 HG3 PRO 89 HG3 PRO 89 9.741 -10.802 -16.828 598 HD2 PRO 89 HD2 PRO 89 11.516 -11.456 -14.891 599 HD3 PRO 89 HD3 PRO 89 11.656 -9.970 -15.852 600 H ALA 90 H ALA 90 9.007 -8.518 -11.533 601 HA ALA 90 HA ALA 90 7.017 -10.580 -10.929 602 HB1 ALA 90 HB1 ALA 90 8.147 -11.556 -9.214 603 HB2 ALA 90 HB2 ALA 90 9.521 -11.107 -10.225 604 HB3 ALA 90 HB3 ALA 90 9.074 -10.101 -8.847 605 H ASP 91 H ASP 91 8.777 -7.751 -9.685 606 HA ASP 91 HA ASP 91 6.883 -7.049 -7.721 607 HB2 ASP 91 HB2 ASP 91 7.981 -4.756 -7.906 608 HB3 ASP 91 HB3 ASP 91 9.043 -6.104 -7.511 609 H GLY 92 H GLY 92 6.017 -4.575 -7.955 610 HA2 GLY 92 HA2 GLY 92 3.972 -4.789 -9.994 611 HA3 GLY 92 HA3 GLY 92 4.067 -3.570 -8.731 612 H GLY 93 H GLY 93 3.467 -3.174 -11.535 613 HA2 GLY 93 HA2 GLY 93 5.855 -1.722 -12.460 614 HA3 GLY 93 HA3 GLY 93 4.505 -2.210 -13.474 615 H SER 94 H SER 94 2.782 -0.866 -13.723 616 HA SER 94 HA SER 94 1.693 1.133 -13.822 617 HB2 SER 94 HB2 SER 94 2.161 0.624 -10.933 618 HB3 SER 94 HB3 SER 94 1.636 2.248 -11.377 619 HG SER 94 HG SER 94 0.324 -0.208 -11.902 620 HA PRO 95 HA PRO 95 1.973 1.981 -15.517 621 HB2 PRO 95 HB2 PRO 95 3.642 2.322 -17.630 622 HB3 PRO 95 HB3 PRO 95 2.692 3.640 -16.935 623 HG2 PRO 95 HG2 PRO 95 5.571 2.946 -16.499 624 HG3 PRO 95 HG3 PRO 95 4.829 4.537 -16.745 625 HD2 PRO 95 HD2 PRO 95 5.526 3.619 -14.295 626 HD3 PRO 95 HD3 PRO 95 4.137 4.694 -14.552 627 HA PRO 96 HA PRO 96 3.370 -2.159 -16.020 628 HB2 PRO 96 HB2 PRO 96 2.270 -2.818 -18.413 629 HB3 PRO 96 HB3 PRO 96 1.315 -2.623 -16.938 630 HG2 PRO 96 HG2 PRO 96 1.739 -0.695 -19.189 631 HG3 PRO 96 HG3 PRO 96 0.245 -1.089 -18.319 632 HD2 PRO 96 HD2 PRO 96 1.694 1.136 -17.790 633 HD3 PRO 96 HD3 PRO 96 0.770 0.279 -16.540 634 H VAL 97 H VAL 97 5.561 -2.221 -16.270 635 HA VAL 97 HA VAL 97 6.721 -1.535 -18.867 636 HB VAL 97 HB VAL 97 8.895 -1.734 -17.767 637 HG11 VAL 97 HG11 VAL 97 7.132 -0.108 -15.959 638 HG12 VAL 97 HG12 VAL 97 8.779 0.233 -16.495 639 HG13 VAL 97 HG13 VAL 97 7.436 0.357 -17.632 640 HG21 VAL 97 HG21 VAL 97 8.396 -1.869 -15.067 641 HG22 VAL 97 HG22 VAL 97 7.296 -3.077 -15.732 642 HG23 VAL 97 HG23 VAL 97 9.025 -3.180 -16.066 643 H ASP 98 H ASP 98 7.640 -2.992 -20.217 644 HA ASP 98 HA ASP 98 8.325 -5.650 -19.411 645 HB2 ASP 98 HB2 ASP 98 6.696 -6.729 -21.045 646 HB3 ASP 98 HB3 ASP 98 6.008 -6.131 -19.538 647 H GLY 99 H GLY 99 8.918 -7.004 -21.404 648 HA2 GLY 99 HA2 GLY 99 9.311 -6.207 -23.942 649 HA3 GLY 99 HA3 GLY 99 10.570 -5.324 -23.093 650 H GLY 100 H GLY 100 11.479 -6.943 -24.956 651 HA2 GLY 100 HA2 GLY 100 12.268 -9.425 -23.564 652 HA3 GLY 100 HA3 GLY 100 12.212 -9.239 -25.311 653 H SER 101 H SER 101 14.017 -8.656 -26.358 654 HA SER 101 HA SER 101 16.215 -8.196 -26.727 655 HB2 SER 101 HB2 SER 101 15.410 -5.954 -25.890 656 HB3 SER 101 HB3 SER 101 16.020 -6.405 -24.298 657 HG SER 101 HG SER 101 17.582 -6.313 -26.667 658 HA PRO 102 HA PRO 102 17.424 -11.152 -23.333 659 HB2 PRO 102 HB2 PRO 102 18.199 -13.143 -25.008 660 HB3 PRO 102 HB3 PRO 102 16.534 -12.954 -24.446 661 HG2 PRO 102 HG2 PRO 102 17.762 -12.121 -27.046 662 HG3 PRO 102 HG3 PRO 102 16.195 -12.895 -26.746 663 HD2 PRO 102 HD2 PRO 102 16.444 -10.238 -27.206 664 HD3 PRO 102 HD3 PRO 102 15.188 -10.910 -26.146 665 HA PRO 103 HA PRO 103 18.823 -13.247 -23.111 666 HB2 PRO 103 HB2 PRO 103 20.593 -13.386 -21.057 667 HB3 PRO 103 HB3 PRO 103 20.905 -14.099 -22.644 668 HG2 PRO 103 HG2 PRO 103 21.862 -11.497 -21.515 669 HG3 PRO 103 HG3 PRO 103 22.757 -12.706 -22.454 670 HD2 PRO 103 HD2 PRO 103 21.774 -10.438 -23.560 671 HD3 PRO 103 HD3 PRO 103 21.905 -11.961 -24.462 672 HA PRO 104 HA PRO 104 16.532 -11.259 -19.928 673 HB2 PRO 104 HB2 PRO 104 16.271 -13.215 -18.064 674 HB3 PRO 104 HB3 PRO 104 15.416 -13.242 -19.611 675 HG2 PRO 104 HG2 PRO 104 17.920 -14.672 -18.804 676 HG3 PRO 104 HG3 PRO 104 16.533 -15.279 -19.728 677 HD2 PRO 104 HD2 PRO 104 18.842 -14.499 -20.909 678 HD3 PRO 104 HD3 PRO 104 17.259 -14.314 -21.691 679 HA PRO 105 HA PRO 105 19.041 -9.642 -16.700 680 HB2 PRO 105 HB2 PRO 105 17.272 -9.328 -14.664 681 HB3 PRO 105 HB3 PRO 105 17.268 -8.307 -16.107 682 HG2 PRO 105 HG2 PRO 105 15.543 -10.664 -15.449 683 HG3 PRO 105 HG3 PRO 105 15.086 -9.111 -16.171 684 HD2 PRO 105 HD2 PRO 105 15.439 -11.355 -17.644 685 HD3 PRO 105 HD3 PRO 105 15.802 -9.735 -18.272 686 H SER 106 H SER 106 19.778 -9.968 -14.432 687 HA SER 106 HA SER 106 20.568 -12.598 -13.970 688 HB2 SER 106 HB2 SER 106 21.892 -10.945 -12.952 689 HB3 SER 106 HB3 SER 106 20.498 -10.149 -12.221 690 HG SER 106 HG SER 106 21.948 -11.594 -10.880 691 H THR 107 H THR 107 19.934 -14.169 -12.485 692 HA THR 107 HA THR 107 17.467 -13.775 -10.988 693 HB THR 107 HB THR 107 17.621 -16.198 -12.752 694 HG1 THR 107 HG1 THR 107 17.261 -14.979 -14.434 695 HG21 THR 107 HG21 THR 107 15.391 -14.678 -11.403 696 HG22 THR 107 HG22 THR 107 15.980 -16.294 -11.010 697 HG23 THR 107 HG23 THR 107 15.132 -16.009 -12.530 698 H HIS 108 H HIS 108 19.570 -16.455 -12.062 699 HA HIS 108 HA HIS 108 19.649 -17.418 -9.294 700 HB2 HIS 108 HB2 HIS 108 19.282 -18.764 -11.678 701 HB3 HIS 108 HB3 HIS 108 20.975 -19.076 -11.307 702 HD1 HIS 108 HD1 HIS 108 17.853 -20.579 -10.836 703 HD2 HIS 108 HD2 HIS 108 21.087 -19.887 -8.322 704 HE1 HIS 108 HE1 HIS 108 17.599 -22.219 -8.947 Start of MODEL 13 1 H1 ALA 1 H ALA 1 1.365 0.355 3.477 2 HA ALA 1 HA ALA 1 2.639 -1.530 3.401 3 HB1 ALA 1 HB1 ALA 1 0.423 -2.062 1.732 4 HB2 ALA 1 HB2 ALA 1 1.854 -2.712 0.930 5 HB3 ALA 1 HB3 ALA 1 1.460 -3.215 2.574 6 H GLY 2 H GLY 2 4.712 -0.996 3.076 7 HA2 GLY 2 HA2 GLY 2 6.379 -1.539 1.182 8 HA3 GLY 2 HA3 GLY 2 5.558 -0.216 0.367 9 H SER 3 H SER 3 7.792 0.647 0.312 10 HA SER 3 HA SER 3 9.446 2.033 1.048 11 HB2 SER 3 HB2 SER 3 7.478 3.147 3.032 12 HB3 SER 3 HB3 SER 3 8.721 3.995 2.113 13 HG SER 3 HG SER 3 7.082 4.447 0.861 14 H LYS 4 H LYS 4 10.765 0.456 1.992 15 HA LYS 4 HA LYS 4 11.188 0.795 4.810 16 HB2 LYS 4 HB2 LYS 4 9.367 -1.102 4.314 17 HB3 LYS 4 HB3 LYS 4 10.820 -2.066 4.089 18 HG2 LYS 4 HG2 LYS 4 11.023 -0.496 6.487 19 HG3 LYS 4 HG3 LYS 4 9.538 -1.449 6.490 20 HD2 LYS 4 HD2 LYS 4 11.903 -2.911 5.565 21 HD3 LYS 4 HD3 LYS 4 12.000 -2.366 7.241 22 HE2 LYS 4 HE2 LYS 4 9.678 -3.901 6.083 23 HE3 LYS 4 HE3 LYS 4 11.020 -4.642 6.954 24 HZ1 LYS 4 HZ1 LYS 4 9.818 -2.455 8.374 25 HZ2 LYS 4 HZ2 LYS 4 10.175 -4.021 8.905 26 HZ3 LYS 4 HZ3 LYS 4 8.732 -3.718 8.076 27 H LEU 5 H LEU 5 12.980 -0.883 5.517 28 HA LEU 5 HA LEU 5 15.003 -0.849 3.383 29 HB2 LEU 5 HB2 LEU 5 15.043 0.003 6.093 30 HB3 LEU 5 HB3 LEU 5 16.163 -1.347 5.929 31 HG LEU 5 HG LEU 5 16.686 0.374 3.767 32 HD11 LEU 5 HD11 LEU 5 16.610 2.499 4.468 33 HD12 LEU 5 HD12 LEU 5 17.101 2.082 6.109 34 HD13 LEU 5 HD13 LEU 5 15.415 1.907 5.623 35 HD21 LEU 5 HD21 LEU 5 18.553 -0.650 4.517 36 HD22 LEU 5 HD22 LEU 5 18.030 -0.615 6.201 37 HD23 LEU 5 HD23 LEU 5 18.722 0.830 5.461 38 H CYS 6 H CYS 6 16.072 -2.675 2.810 39 HA CYS 6 HA CYS 6 15.327 -5.155 4.219 40 HB2 CYS 6 HB2 CYS 6 15.759 -4.678 1.267 41 HB3 CYS 6 HB3 CYS 6 15.653 -6.283 1.984 42 H GLU 7 H GLU 7 16.925 -6.521 4.810 43 HA GLU 7 HA GLU 7 19.665 -5.845 3.961 44 HB2 GLU 7 HB2 GLU 7 20.444 -6.531 6.189 45 HB3 GLU 7 HB3 GLU 7 19.324 -5.179 6.280 46 HG2 GLU 7 HG2 GLU 7 17.576 -6.556 7.070 47 HG3 GLU 7 HG3 GLU 7 18.465 -8.027 6.684 48 H LYS 8 H LYS 8 21.009 -7.501 3.409 49 HA LYS 8 HA LYS 8 19.764 -10.155 3.218 50 HB2 LYS 8 HB2 LYS 8 21.666 -8.631 1.541 51 HB3 LYS 8 HB3 LYS 8 21.976 -10.358 1.672 52 HG2 LYS 8 HG2 LYS 8 20.628 -10.263 -0.183 53 HG3 LYS 8 HG3 LYS 8 19.451 -10.583 1.093 54 HD2 LYS 8 HD2 LYS 8 19.041 -8.122 1.225 55 HD3 LYS 8 HD3 LYS 8 20.084 -7.924 -0.185 56 HE2 LYS 8 HE2 LYS 8 18.553 -8.820 -1.612 57 HE3 LYS 8 HE3 LYS 8 17.882 -9.898 -0.390 58 HZ1 LYS 8 HZ1 LYS 8 17.005 -7.308 -1.185 59 HZ2 LYS 8 HZ2 LYS 8 17.278 -7.370 0.483 60 HZ3 LYS 8 HZ3 LYS 8 16.211 -8.465 -0.241 61 H THR 9 H THR 9 20.915 -12.024 3.801 62 HA THR 9 HA THR 9 23.220 -11.544 5.576 63 HB THR 9 HB THR 9 21.425 -13.903 5.988 64 HG1 THR 9 HG1 THR 9 20.378 -12.363 7.596 65 HG21 THR 9 HG21 THR 9 22.688 -12.227 8.118 66 HG22 THR 9 HG22 THR 9 23.687 -13.335 7.177 67 HG23 THR 9 HG23 THR 9 22.328 -13.953 8.114 68 H SER 10 H SER 10 24.145 -11.906 3.246 69 HA SER 10 HA SER 10 25.495 -13.185 1.935 70 HB2 SER 10 HB2 SER 10 26.769 -14.724 3.014 71 HB3 SER 10 HB3 SER 10 25.921 -14.141 4.446 72 HG SER 10 HG SER 10 25.274 -16.126 4.631 73 H LYS 11 H LYS 11 22.489 -13.373 1.904 74 HA LYS 11 HA LYS 11 21.516 -15.878 1.335 75 HB2 LYS 11 HB2 LYS 11 20.855 -13.230 0.041 76 HB3 LYS 11 HB3 LYS 11 19.930 -14.700 -0.238 77 HG2 LYS 11 HG2 LYS 11 20.317 -13.324 2.413 78 HG3 LYS 11 HG3 LYS 11 18.855 -13.300 1.424 79 HD2 LYS 11 HD2 LYS 11 18.716 -15.764 1.653 80 HD3 LYS 11 HD3 LYS 11 20.110 -15.712 2.735 81 HE2 LYS 11 HE2 LYS 11 18.861 -14.290 4.279 82 HE3 LYS 11 HE3 LYS 11 17.473 -14.316 3.191 83 HZ1 LYS 11 HZ1 LYS 11 16.980 -16.467 3.721 84 HZ2 LYS 11 HZ2 LYS 11 17.624 -15.952 5.198 85 HZ3 LYS 11 HZ3 LYS 11 18.570 -16.867 4.136 86 H THR 12 H THR 12 23.688 -13.936 -0.543 87 HA THR 12 HA THR 12 23.641 -15.979 -2.669 88 HB THR 12 HB THR 12 22.847 -13.815 -3.509 89 HG1 THR 12 HG1 THR 12 24.536 -15.312 -4.633 90 HG21 THR 12 HG21 THR 12 25.579 -12.758 -2.774 91 HG22 THR 12 HG22 THR 12 24.094 -12.401 -1.891 92 HG23 THR 12 HG23 THR 12 24.276 -11.869 -3.562 93 H TYR 13 H TYR 13 25.594 -13.939 -0.596 94 HA TYR 13 HA TYR 13 28.120 -14.269 -1.599 95 HB2 TYR 13 HB2 TYR 13 27.185 -13.133 0.621 96 HB3 TYR 13 HB3 TYR 13 27.793 -14.619 1.342 97 HD1 TYR 13 HD2 TYR 13 29.061 -12.317 -1.324 98 HD2 TYR 13 HD1 TYR 13 29.819 -14.272 2.379 99 HE1 TYR 13 HE2 TYR 13 31.329 -11.367 -1.293 100 HE2 TYR 13 HE1 TYR 13 32.089 -13.327 2.420 101 HH TYR 13 HH TYR 13 33.113 -10.906 0.145 102 H SER 14 H SER 14 26.698 -16.386 0.899 103 HA SER 14 HA SER 14 26.926 -18.619 1.299 104 HB2 SER 14 HB2 SER 14 27.301 -18.387 -1.533 105 HB3 SER 14 HB3 SER 14 28.434 -19.584 -0.905 106 HG SER 14 HG SER 14 26.738 -20.741 -0.071 107 H GLY 15 H GLY 15 29.857 -18.140 -0.654 108 HA2 GLY 15 HA2 GLY 15 31.433 -18.738 1.773 109 HA3 GLY 15 HA3 GLY 15 31.894 -19.253 0.158 110 H LYS 16 H LYS 16 33.937 -18.182 0.867 111 HA LYS 16 HA LYS 16 35.450 -16.503 0.610 112 HB2 LYS 16 HB2 LYS 16 33.474 -16.054 -1.386 113 HB3 LYS 16 HB3 LYS 16 33.919 -14.489 -0.718 114 HG2 LYS 16 HG2 LYS 16 35.776 -14.484 -1.915 115 HG3 LYS 16 HG3 LYS 16 36.296 -15.988 -1.151 116 HD2 LYS 16 HD2 LYS 16 36.254 -16.494 -3.434 117 HD3 LYS 16 HD3 LYS 16 34.733 -17.149 -2.823 118 HE2 LYS 16 HE2 LYS 16 34.163 -16.029 -4.807 119 HE3 LYS 16 HE3 LYS 16 33.688 -14.933 -3.511 120 HZ1 LYS 16 HZ1 LYS 16 36.163 -14.750 -5.142 121 HZ2 LYS 16 HZ2 LYS 16 35.778 -13.728 -3.851 122 HZ3 LYS 16 HZ3 LYS 16 34.819 -13.728 -5.244 123 H CYS 17 H CYS 17 35.718 -14.020 0.989 124 HA CYS 17 HA CYS 17 33.853 -12.629 2.570 125 HB2 CYS 17 HB2 CYS 17 34.401 -14.430 4.195 126 HB3 CYS 17 HB3 CYS 17 36.086 -13.921 4.151 127 H ASP 18 H ASP 18 34.404 -10.532 2.610 128 HA ASP 18 HA ASP 18 37.022 -9.536 2.895 129 HB2 ASP 18 HB2 ASP 18 36.691 -10.523 0.378 130 HB3 ASP 18 HB3 ASP 18 36.188 -8.850 0.151 131 H ASN 19 H ASN 19 36.860 -7.140 1.532 132 HA ASN 19 HA ASN 19 34.671 -5.854 2.976 133 HB2 ASN 19 HB2 ASN 19 36.795 -4.350 1.487 134 HB3 ASN 19 HB3 ASN 19 35.926 -3.893 2.949 135 HD21 ASN 19 HD22 ASN 19 38.823 -4.870 1.786 136 HD22 ASN 19 HD21 ASN 19 39.506 -5.543 3.224 137 H LYS 20 H LYS 20 36.235 -5.239 -0.170 138 HA LYS 20 HA LYS 20 33.925 -4.010 -1.269 139 HB2 LYS 20 HB2 LYS 20 36.486 -3.886 -1.937 140 HB3 LYS 20 HB3 LYS 20 36.029 -5.186 -3.031 141 HG2 LYS 20 HG2 LYS 20 34.168 -2.961 -3.124 142 HG3 LYS 20 HG3 LYS 20 35.820 -2.484 -3.521 143 HD2 LYS 20 HD2 LYS 20 35.047 -4.988 -4.782 144 HD3 LYS 20 HD3 LYS 20 33.994 -3.647 -5.240 145 HE2 LYS 20 HE2 LYS 20 35.647 -3.442 -6.815 146 HE3 LYS 20 HE3 LYS 20 36.273 -2.383 -5.551 147 HZ1 LYS 20 HZ1 LYS 20 37.041 -5.214 -5.525 148 HZ2 LYS 20 HZ2 LYS 20 37.904 -3.860 -4.992 149 HZ3 LYS 20 HZ3 LYS 20 37.782 -4.187 -6.647 150 H LYS 21 H LYS 21 35.207 -7.273 -1.327 151 HA LYS 21 HA LYS 21 33.612 -8.312 -3.396 152 HB2 LYS 21 HB2 LYS 21 34.835 -9.648 -0.978 153 HB3 LYS 21 HB3 LYS 21 34.049 -10.526 -2.284 154 HG2 LYS 21 HG2 LYS 21 36.498 -8.789 -2.520 155 HG3 LYS 21 HG3 LYS 21 36.447 -10.553 -2.573 156 HD2 LYS 21 HD2 LYS 21 36.405 -10.203 -4.805 157 HD3 LYS 21 HD3 LYS 21 34.678 -9.977 -4.518 158 HE2 LYS 21 HE2 LYS 21 34.836 -7.913 -5.319 159 HE3 LYS 21 HE3 LYS 21 35.941 -7.502 -4.008 160 HZ1 LYS 21 HZ1 LYS 21 36.942 -8.872 -6.417 161 HZ2 LYS 21 HZ2 LYS 21 37.781 -7.893 -5.321 162 HZ3 LYS 21 HZ3 LYS 21 36.709 -7.196 -6.428 163 H CYS 22 H CYS 22 33.075 -8.109 0.102 164 HA CYS 22 HA CYS 22 30.661 -9.526 0.197 165 HB2 CYS 22 HB2 CYS 22 32.278 -8.107 2.010 166 HB3 CYS 22 HB3 CYS 22 30.685 -7.364 2.109 167 H ASP 23 H ASP 23 31.277 -6.052 -0.194 168 HA ASP 23 HA ASP 23 28.535 -5.325 -0.350 169 HB2 ASP 23 HB2 ASP 23 30.747 -3.896 0.057 170 HB3 ASP 23 HB3 ASP 23 30.610 -3.652 -1.682 171 H LYS 24 H LYS 24 31.053 -5.596 -2.859 172 HA LYS 24 HA LYS 24 29.482 -5.074 -5.075 173 HB2 LYS 24 HB2 LYS 24 31.903 -5.253 -5.216 174 HB3 LYS 24 HB3 LYS 24 31.828 -6.965 -4.823 175 HG2 LYS 24 HG2 LYS 24 30.613 -7.380 -6.912 176 HG3 LYS 24 HG3 LYS 24 30.730 -5.664 -7.309 177 HD2 LYS 24 HD2 LYS 24 32.902 -5.820 -7.905 178 HD3 LYS 24 HD3 LYS 24 33.275 -6.984 -6.632 179 HE2 LYS 24 HE2 LYS 24 32.822 -8.771 -7.949 180 HE3 LYS 24 HE3 LYS 24 31.531 -7.940 -8.816 181 HZ1 LYS 24 HZ1 LYS 24 32.978 -7.058 -10.318 182 HZ2 LYS 24 HZ2 LYS 24 33.792 -8.501 -9.975 183 HZ3 LYS 24 HZ3 LYS 24 34.290 -7.056 -9.250 184 H LYS 25 H LYS 25 30.165 -8.227 -3.575 185 HA LYS 25 HA LYS 25 28.621 -9.775 -5.333 186 HB2 LYS 25 HB2 LYS 25 30.335 -10.522 -3.556 187 HB3 LYS 25 HB3 LYS 25 28.991 -10.450 -2.425 188 HG2 LYS 25 HG2 LYS 25 28.193 -12.403 -3.114 189 HG3 LYS 25 HG3 LYS 25 28.293 -11.927 -4.811 190 HD2 LYS 25 HD2 LYS 25 30.842 -12.557 -3.439 191 HD3 LYS 25 HD3 LYS 25 29.756 -13.908 -3.770 192 HE2 LYS 25 HE2 LYS 25 30.267 -13.888 -5.938 193 HE3 LYS 25 HE3 LYS 25 29.978 -12.152 -6.054 194 HZ1 LYS 25 HZ1 LYS 25 32.150 -11.853 -6.214 195 HZ2 LYS 25 HZ2 LYS 25 32.431 -13.513 -6.052 196 HZ3 LYS 25 HZ3 LYS 25 32.376 -12.527 -4.679 197 H CYS 26 H CYS 26 27.718 -7.666 -2.773 198 HA CYS 26 HA CYS 26 25.098 -8.843 -2.400 199 HB2 CYS 26 HB2 CYS 26 26.606 -6.561 -1.200 200 HB3 CYS 26 HB3 CYS 26 24.850 -6.561 -1.077 201 H ILE 27 H ILE 27 26.481 -5.933 -3.870 202 HA ILE 27 HA ILE 27 23.925 -4.952 -4.749 203 HB ILE 27 HB ILE 27 26.616 -4.058 -5.767 204 HG12 ILE 27 HG12 ILE 27 25.530 -2.385 -3.679 205 HG13 ILE 27 HG13 ILE 27 25.758 -4.027 -3.088 206 HG21 ILE 27 HG21 ILE 27 25.110 -2.948 -7.064 207 HG22 ILE 27 HG22 ILE 27 23.843 -3.010 -5.841 208 HG23 ILE 27 HG23 ILE 27 25.157 -1.845 -5.689 209 HD11 ILE 27 HD11 ILE 27 28.097 -3.576 -4.406 210 HD12 ILE 27 HD12 ILE 27 27.722 -1.979 -3.756 211 HD13 ILE 27 HD13 ILE 27 27.844 -3.367 -2.674 212 H GLU 28 H GLU 28 26.217 -7.192 -5.928 213 HA GLU 28 HA GLU 28 25.483 -6.907 -8.711 214 HB2 GLU 28 HB2 GLU 28 27.341 -8.681 -7.175 215 HB3 GLU 28 HB3 GLU 28 26.856 -9.143 -8.800 216 HG2 GLU 28 HG2 GLU 28 27.703 -6.375 -8.655 217 HG3 GLU 28 HG3 GLU 28 28.955 -7.493 -8.117 218 H TRP 29 H TRP 29 24.895 -9.188 -6.073 219 HA TRP 29 HA TRP 29 22.967 -10.613 -7.768 220 HB2 TRP 29 HB2 TRP 29 24.649 -11.377 -5.447 221 HB3 TRP 29 HB3 TRP 29 23.056 -12.122 -5.541 222 HD1 TRP 29 HD1 TRP 29 26.037 -11.590 -7.988 223 HE1 TRP 29 HE1 TRP 29 26.305 -13.743 -9.373 224 HE3 TRP 29 HE3 TRP 29 22.148 -14.289 -6.056 225 HZ2 TRP 29 HZ2 TRP 29 25.036 -16.252 -9.616 226 HZ3 TRP 29 HZ3 TRP 29 21.742 -16.557 -6.920 227 HH2 TRP 29 HH2 TRP 29 23.157 -17.516 -8.663 228 H GLU 30 H GLU 30 23.278 -9.313 -4.464 229 HA GLU 30 HA GLU 30 20.406 -9.417 -4.092 230 HB2 GLU 30 HB2 GLU 30 22.385 -8.140 -2.218 231 HB3 GLU 30 HB3 GLU 30 20.808 -8.818 -1.841 232 HG2 GLU 30 HG2 GLU 30 23.189 -10.417 -2.752 233 HG3 GLU 30 HG3 GLU 30 22.689 -10.214 -1.073 234 H LYS 31 H LYS 31 22.384 -7.380 -5.693 235 HA LYS 31 HA LYS 31 22.375 -5.156 -6.244 236 HB2 LYS 31 HB2 LYS 31 19.385 -5.429 -5.953 237 HB3 LYS 31 HB3 LYS 31 20.271 -4.382 -7.055 238 HG2 LYS 31 HG2 LYS 31 20.020 -7.376 -7.176 239 HG3 LYS 31 HG3 LYS 31 19.386 -6.189 -8.319 240 HD2 LYS 31 HD2 LYS 31 22.301 -6.751 -7.770 241 HD3 LYS 31 HD3 LYS 31 21.395 -7.263 -9.195 242 HE2 LYS 31 HE2 LYS 31 21.979 -4.426 -8.354 243 HE3 LYS 31 HE3 LYS 31 22.708 -5.291 -9.705 244 HZ1 LYS 31 HZ1 LYS 31 20.265 -3.860 -9.615 245 HZ2 LYS 31 HZ2 LYS 31 19.978 -5.463 -10.073 246 HZ3 LYS 31 HZ3 LYS 31 21.068 -4.514 -10.953 247 H ALA 32 H ALA 32 22.689 -5.604 -3.442 248 HA ALA 32 HA ALA 32 21.019 -3.774 -1.997 249 HB1 ALA 32 HB1 ALA 32 23.568 -4.411 -0.743 250 HB2 ALA 32 HB2 ALA 32 21.922 -4.707 -0.181 251 HB3 ALA 32 HB3 ALA 32 22.691 -5.841 -1.291 252 H GLN 33 H GLN 33 22.796 -2.385 -0.407 253 HA GLN 33 HA GLN 33 24.088 -0.567 -2.333 254 HB2 GLN 33 HB2 GLN 33 22.071 -0.056 -0.345 255 HB3 GLN 33 HB3 GLN 33 23.521 0.866 0.026 256 HG2 GLN 33 HG2 GLN 33 22.520 0.898 -2.767 257 HG3 GLN 33 HG3 GLN 33 21.632 1.810 -1.548 258 HE21 GLN 33 HE22 GLN 33 23.889 2.103 -3.842 259 HE22 GLN 33 HE21 GLN 33 24.812 3.420 -3.210 260 H HIS 34 H HIS 34 24.145 -1.694 1.037 261 HA HIS 34 HA HIS 34 27.068 -1.353 1.003 262 HB2 HIS 34 HB2 HIS 34 25.079 -0.328 2.945 263 HB3 HIS 34 HB3 HIS 34 26.544 -1.027 3.630 264 HD1 HIS 34 HD1 HIS 34 28.026 0.854 4.229 265 HD2 HIS 34 HD2 HIS 34 26.169 1.463 0.563 266 HE1 HIS 34 HE1 HIS 34 28.976 3.008 3.344 267 H GLY 35 H GLY 35 28.268 -2.971 1.926 268 HA2 GLY 35 HA2 GLY 35 26.840 -5.141 3.294 269 HA3 GLY 35 HA3 GLY 35 27.776 -5.529 1.857 270 H ALA 36 H ALA 36 28.131 -6.485 4.587 271 HA ALA 36 HA ALA 36 30.953 -5.774 4.867 272 HB1 ALA 36 HB1 ALA 36 30.228 -5.981 7.491 273 HB2 ALA 36 HB2 ALA 36 30.481 -4.467 6.622 274 HB3 ALA 36 HB3 ALA 36 28.853 -5.124 6.795 275 H CYS 37 H CYS 37 32.132 -7.307 6.272 276 HA CYS 37 HA CYS 37 30.864 -9.967 6.278 277 HB2 CYS 37 HB2 CYS 37 32.836 -9.365 4.600 278 HB3 CYS 37 HB3 CYS 37 33.824 -9.719 6.013 279 H HIS 38 H HIS 38 31.410 -11.377 7.970 280 HA HIS 38 HA HIS 38 33.148 -10.464 10.095 281 HB2 HIS 38 HB2 HIS 38 31.081 -9.314 10.677 282 HB3 HIS 38 HB3 HIS 38 30.179 -10.822 10.555 283 HD1 HIS 38 HD1 HIS 38 29.617 -11.657 12.800 284 HD2 HIS 38 HD2 HIS 38 33.352 -9.839 12.735 285 HE1 HIS 38 HE1 HIS 38 30.507 -11.864 15.143 286 H LYS 39 H LYS 39 33.916 -12.117 11.348 287 HA LYS 39 HA LYS 39 33.263 -14.807 10.432 288 HB2 LYS 39 HB2 LYS 39 35.635 -14.049 10.591 289 HB3 LYS 39 HB3 LYS 39 35.437 -13.912 12.333 290 HG2 LYS 39 HG2 LYS 39 34.707 -16.516 11.173 291 HG3 LYS 39 HG3 LYS 39 36.418 -16.087 11.094 292 HD2 LYS 39 HD2 LYS 39 35.330 -15.456 13.686 293 HD3 LYS 39 HD3 LYS 39 35.028 -17.147 13.280 294 HE2 LYS 39 HE2 LYS 39 37.446 -17.361 12.702 295 HE3 LYS 39 HE3 LYS 39 37.686 -15.724 13.312 296 HZ1 LYS 39 HZ1 LYS 39 37.252 -16.375 15.471 297 HZ2 LYS 39 HZ2 LYS 39 38.116 -17.699 14.870 298 HZ3 LYS 39 HZ3 LYS 39 36.432 -17.781 15.010 299 H ARG 40 H ARG 40 32.146 -16.251 11.589 300 HA ARG 40 HA ARG 40 31.971 -16.098 14.461 301 HB2 ARG 40 HB2 ARG 40 29.870 -14.991 12.768 302 HB3 ARG 40 HB3 ARG 40 29.271 -16.243 13.848 303 HG2 ARG 40 HG2 ARG 40 31.028 -14.168 15.020 304 HG3 ARG 40 HG3 ARG 40 29.396 -13.689 14.549 305 HD2 ARG 40 HD2 ARG 40 28.643 -15.781 15.848 306 HD3 ARG 40 HD3 ARG 40 30.255 -15.740 16.561 307 HE ARG 40 HE ARG 40 29.583 -13.983 17.853 308 HH11 ARG 40 HH12 ARG 40 27.399 -14.290 15.159 309 HH12 ARG 40 HH11 ARG 40 26.307 -13.076 15.738 310 HH21 ARG 40 HH22 ARG 40 28.153 -12.383 18.625 311 HH22 ARG 40 HH21 ARG 40 26.737 -11.991 17.709 312 H GLU 41 H GLU 41 30.324 -17.837 15.245 313 HA GLU 41 HA GLU 41 29.993 -20.087 15.441 314 HB2 GLU 41 HB2 GLU 41 29.305 -19.666 12.530 315 HB3 GLU 41 HB3 GLU 41 28.975 -21.154 13.407 316 HG2 GLU 41 HG2 GLU 41 27.422 -20.090 14.828 317 HG3 GLU 41 HG3 GLU 41 27.928 -18.486 14.298 318 H ALA 42 H ALA 42 32.144 -20.672 15.888 319 HA ALA 42 HA ALA 42 34.057 -21.874 15.616 320 HB1 ALA 42 HB1 ALA 42 32.675 -23.660 14.854 321 HB2 ALA 42 HB2 ALA 42 32.515 -22.932 13.255 322 HB3 ALA 42 HB3 ALA 42 34.071 -23.575 13.779 323 H GLY 43 H GLY 43 33.438 -21.630 12.148 324 HA2 GLY 43 HA2 GLY 43 35.393 -19.486 11.871 325 HA3 GLY 43 HA3 GLY 43 35.842 -21.039 11.182 326 H LYS 44 H LYS 44 32.589 -19.692 11.254 327 HA LYS 44 HA LYS 44 32.612 -19.695 8.315 328 HB2 LYS 44 HB2 LYS 44 30.221 -19.698 10.164 329 HB3 LYS 44 HB3 LYS 44 30.204 -19.925 8.420 330 HG2 LYS 44 HG2 LYS 44 30.624 -22.100 8.601 331 HG3 LYS 44 HG3 LYS 44 31.929 -21.835 9.760 332 HD2 LYS 44 HD2 LYS 44 29.781 -21.279 11.302 333 HD3 LYS 44 HD3 LYS 44 29.088 -22.482 10.212 334 HE2 LYS 44 HE2 LYS 44 31.695 -23.312 11.099 335 HE3 LYS 44 HE3 LYS 44 30.670 -22.935 12.482 336 HZ1 LYS 44 HZ1 LYS 44 28.948 -24.362 11.221 337 HZ2 LYS 44 HZ2 LYS 44 30.184 -25.134 12.081 338 HZ3 LYS 44 HZ3 LYS 44 30.291 -24.981 10.400 339 H GLU 45 H GLU 45 32.808 -17.782 7.373 340 HA GLU 45 HA GLU 45 32.204 -15.353 8.846 341 HB2 GLU 45 HB2 GLU 45 33.774 -16.062 6.452 342 HB3 GLU 45 HB3 GLU 45 32.974 -14.498 6.382 343 HG2 GLU 45 HG2 GLU 45 34.288 -13.595 7.981 344 HG3 GLU 45 HG3 GLU 45 34.451 -15.112 8.862 345 H SER 46 H SER 46 30.411 -14.186 8.625 346 HA SER 46 HA SER 46 28.555 -14.901 6.457 347 HB2 SER 46 HB2 SER 46 26.980 -13.519 8.133 348 HB3 SER 46 HB3 SER 46 27.270 -15.249 8.317 349 HG SER 46 HG SER 46 27.787 -13.350 10.056 350 H CYS 47 H CYS 47 27.541 -13.300 5.246 351 HA CYS 47 HA CYS 47 28.811 -10.646 5.402 352 HB2 CYS 47 HB2 CYS 47 29.294 -12.006 3.346 353 HB3 CYS 47 HB3 CYS 47 27.578 -11.932 2.960 354 H PHE 48 H PHE 48 27.524 -9.086 6.097 355 HA PHE 48 HA PHE 48 24.625 -9.340 5.635 356 HB2 PHE 48 HB2 PHE 48 24.459 -7.734 7.612 357 HB3 PHE 48 HB3 PHE 48 24.975 -9.377 7.975 358 HD1 PHE 48 HD1 PHE 48 27.346 -9.845 8.476 359 HD2 PHE 48 HD2 PHE 48 25.886 -5.877 7.985 360 HE1 PHE 48 HE1 PHE 48 29.363 -8.969 9.580 361 HE2 PHE 48 HE2 PHE 48 27.900 -4.995 9.087 362 HZ PHE 48 HZ PHE 48 29.643 -6.542 9.886 363 H CYS 49 H CYS 49 23.722 -7.914 4.314 364 HA CYS 49 HA CYS 49 25.047 -5.313 3.923 365 HB2 CYS 49 HB2 CYS 49 23.809 -5.735 1.524 366 HB3 CYS 49 HB3 CYS 49 25.513 -6.045 1.840 367 H TYR 50 H TYR 50 23.700 -3.542 3.525 368 HA TYR 50 HA TYR 50 20.833 -4.019 4.016 369 HB2 TYR 50 HB2 TYR 50 22.220 -1.495 4.869 370 HB3 TYR 50 HB3 TYR 50 20.705 -2.174 5.452 371 HD1 TYR 50 HD1 TYR 50 20.700 -3.984 7.091 372 HD2 TYR 50 HD2 TYR 50 24.345 -2.256 5.737 373 HE1 TYR 50 HE1 TYR 50 21.887 -5.024 8.978 374 HE2 TYR 50 HE2 TYR 50 25.542 -3.293 7.619 375 HH TYR 50 HH TYR 50 23.831 -5.291 10.009 376 H PHE 51 H PHE 51 19.398 -2.998 2.721 377 HA PHE 51 HA PHE 51 20.252 -0.812 1.010 378 HB2 PHE 51 HB2 PHE 51 20.867 -2.564 -0.449 379 HB3 PHE 51 HB3 PHE 51 19.446 -3.518 -0.036 380 HD1 PHE 51 HD2 PHE 51 20.264 -0.170 -1.469 381 HD2 PHE 51 HD1 PHE 51 17.762 -3.611 -1.584 382 HE1 PHE 51 HE2 PHE 51 19.081 0.760 -3.415 383 HE2 PHE 51 HE1 PHE 51 16.575 -2.687 -3.531 384 HZ PHE 51 HZ PHE 51 17.234 -0.499 -4.449 385 H ASP 52 H ASP 52 18.558 0.439 0.230 386 HA ASP 52 HA ASP 52 16.118 0.254 1.727 387 HB2 ASP 52 HB2 ASP 52 15.495 2.276 0.284 388 HB3 ASP 52 HB3 ASP 52 16.881 2.455 1.356 389 H CYS 53 H CYS 53 14.352 -0.824 1.176 390 HA CYS 53 HA CYS 53 13.990 -1.574 -1.650 391 HB2 CYS 53 HB2 CYS 53 12.593 -3.460 -0.732 392 HB3 CYS 53 HB3 CYS 53 14.308 -3.551 -0.343 393 H SER 54 H SER 54 11.866 -1.558 -2.516 394 HA SER 54 HA SER 54 9.883 -0.530 -2.966 395 HB2 SER 54 HB2 SER 54 9.364 -2.073 -0.949 396 HB3 SER 54 HB3 SER 54 9.300 -0.579 -0.015 397 HG SER 54 HG SER 54 7.847 -0.779 -2.408 398 H LYS 55 H LYS 55 12.159 1.171 -2.403 399 HA LYS 55 HA LYS 55 12.613 3.396 -2.243 400 HB2 LYS 55 HB2 LYS 55 9.649 3.872 -1.961 401 HB3 LYS 55 HB3 LYS 55 10.868 4.982 -2.574 402 HG2 LYS 55 HG2 LYS 55 10.392 4.305 -4.623 403 HG3 LYS 55 HG3 LYS 55 10.998 2.701 -4.204 404 HD2 LYS 55 HD2 LYS 55 8.487 2.708 -3.093 405 HD3 LYS 55 HD3 LYS 55 8.256 3.635 -4.577 406 HE2 LYS 55 HE2 LYS 55 9.763 1.578 -5.489 407 HE3 LYS 55 HE3 LYS 55 8.869 0.781 -4.195 408 HZ1 LYS 55 HZ1 LYS 55 7.905 1.884 -6.713 409 HZ2 LYS 55 HZ2 LYS 55 6.895 2.079 -5.371 410 HZ3 LYS 55 HZ3 LYS 55 7.374 0.529 -5.850 411 H SER 56 H SER 56 13.636 3.150 -0.240 412 HA SER 56 HA SER 56 12.006 3.840 2.114 413 HB2 SER 56 HB2 SER 56 12.995 2.039 3.024 414 HB3 SER 56 HB3 SER 56 14.131 1.903 1.681 415 HG SER 56 HG SER 56 15.579 3.027 2.769 416 HA PRO 57 HA PRO 57 14.121 7.635 2.714 417 HB2 PRO 57 HB2 PRO 57 14.448 7.713 5.407 418 HB3 PRO 57 HB3 PRO 57 12.877 7.921 4.624 419 HG2 PRO 57 HG2 PRO 57 14.046 5.482 5.907 420 HG3 PRO 57 HG3 PRO 57 12.399 6.126 6.024 421 HD2 PRO 57 HD2 PRO 57 13.042 4.058 4.399 422 HD3 PRO 57 HD3 PRO 57 11.769 5.228 3.997 423 HA PRO 58 HA PRO 58 18.485 7.226 3.054 424 HB2 PRO 58 HB2 PRO 58 19.229 9.489 4.357 425 HB3 PRO 58 HB3 PRO 58 18.653 9.488 2.685 426 HG2 PRO 58 HG2 PRO 58 17.166 10.141 5.200 427 HG3 PRO 58 HG3 PRO 58 17.137 10.974 3.635 428 HD2 PRO 58 HD2 PRO 58 15.192 9.256 4.407 429 HD3 PRO 58 HD3 PRO 58 15.675 9.452 2.710 430 H GLY 59 H GLY 59 16.561 7.194 5.835 431 HA2 GLY 59 HA2 GLY 59 18.757 6.895 7.715 432 HA3 GLY 59 HA3 GLY 59 17.042 6.815 8.090 433 H ALA 60 H ALA 60 19.693 5.045 8.261 434 HA ALA 60 HA ALA 60 19.043 2.598 7.018 435 HB1 ALA 60 HB1 ALA 60 20.913 1.755 8.017 436 HB2 ALA 60 HB2 ALA 60 21.260 3.479 8.153 437 HB3 ALA 60 HB3 ALA 60 20.617 2.598 9.538 438 H THR 61 H THR 61 17.720 0.983 7.581 439 HA THR 61 HA THR 61 16.945 0.422 10.261 440 HB THR 61 HB THR 61 14.390 0.791 9.441 441 HG1 THR 61 HG1 THR 61 15.549 3.219 8.640 442 HG21 THR 61 HG21 THR 61 16.201 1.998 11.293 443 HG22 THR 61 HG22 THR 61 14.448 1.842 11.404 444 HG23 THR 61 HG23 THR 61 15.160 3.248 10.613 445 HA PRO 62 HA PRO 62 16.540 -2.950 7.052 446 HB2 PRO 62 HB2 PRO 62 18.238 -4.675 8.279 447 HB3 PRO 62 HB3 PRO 62 18.780 -3.453 7.123 448 HG2 PRO 62 HG2 PRO 62 18.834 -3.386 10.115 449 HG3 PRO 62 HG3 PRO 62 20.081 -2.877 8.962 450 HD2 PRO 62 HD2 PRO 62 18.431 -1.118 10.193 451 HD3 PRO 62 HD3 PRO 62 19.055 -0.854 8.552 452 H ALA 63 H ALA 63 14.479 -3.556 7.576 453 HA ALA 63 HA ALA 63 12.741 -4.530 8.704 454 HB1 ALA 63 HB1 ALA 63 14.991 -6.488 9.084 455 HB2 ALA 63 HB2 ALA 63 13.333 -6.834 9.579 456 HB3 ALA 63 HB3 ALA 63 13.700 -6.522 7.883 457 HA PRO 64 HA PRO 64 14.045 -2.860 12.838 458 HB2 PRO 64 HB2 PRO 64 11.968 -1.125 13.053 459 HB3 PRO 64 HB3 PRO 64 13.480 -0.717 12.233 460 HG2 PRO 64 HG2 PRO 64 10.868 -1.595 11.064 461 HG3 PRO 64 HG3 PRO 64 11.966 -0.315 10.514 462 HD2 PRO 64 HD2 PRO 64 11.885 -2.761 9.356 463 HD3 PRO 64 HD3 PRO 64 13.376 -1.803 9.461 464 HA PRO 65 HA PRO 65 11.272 -5.361 15.165 465 HB2 PRO 65 HB2 PRO 65 11.267 -4.063 17.550 466 HB3 PRO 65 HB3 PRO 65 12.648 -5.001 16.969 467 HG2 PRO 65 HG2 PRO 65 12.199 -2.042 16.888 468 HG3 PRO 65 HG3 PRO 65 13.670 -2.939 17.305 469 HD2 PRO 65 HD2 PRO 65 13.294 -1.808 14.874 470 HD3 PRO 65 HD3 PRO 65 14.226 -3.303 15.098 471 H GLY 66 H GLY 66 10.648 -1.902 15.016 472 HA2 GLY 66 HA2 GLY 66 8.083 -1.871 14.244 473 HA3 GLY 66 HA3 GLY 66 7.919 -2.212 15.961 474 H ALA 67 H ALA 67 10.470 -0.538 16.324 475 HA ALA 67 HA ALA 67 9.050 1.988 16.630 476 HB1 ALA 67 HB1 ALA 67 10.715 0.705 18.306 477 HB2 ALA 67 HB2 ALA 67 11.858 1.784 17.505 478 HB3 ALA 67 HB3 ALA 67 10.452 2.449 18.337 479 H ALA 68 H ALA 68 11.347 0.526 14.553 480 HA ALA 68 HA ALA 68 12.710 1.314 12.893 481 HB1 ALA 68 HB1 ALA 68 11.548 3.305 11.643 482 HB2 ALA 68 HB2 ALA 68 10.845 1.688 11.611 483 HB3 ALA 68 HB3 ALA 68 10.200 2.908 12.708 484 HA PRO 69 HA PRO 69 14.305 4.818 15.584 485 HB2 PRO 69 HB2 PRO 69 16.620 3.592 16.298 486 HB3 PRO 69 HB3 PRO 69 15.118 3.416 17.213 487 HG2 PRO 69 HG2 PRO 69 16.336 1.568 15.198 488 HG3 PRO 69 HG3 PRO 69 15.577 1.183 16.754 489 HD2 PRO 69 HD2 PRO 69 14.285 0.897 14.392 490 HD3 PRO 69 HD3 PRO 69 13.444 1.334 15.893 491 HA PRO 70 HA PRO 70 17.049 6.401 12.535 492 HB2 PRO 70 HB2 PRO 70 18.904 7.723 14.013 493 HB3 PRO 70 HB3 PRO 70 17.245 8.299 13.814 494 HG2 PRO 70 HG2 PRO 70 18.467 6.795 16.095 495 HG3 PRO 70 HG3 PRO 70 17.357 8.177 16.134 496 HD2 PRO 70 HD2 PRO 70 16.527 5.630 16.527 497 HD3 PRO 70 HD3 PRO 70 15.504 6.859 15.756 498 HA PRO 71 HA PRO 71 20.580 3.869 11.857 499 HB2 PRO 71 HB2 PRO 71 22.305 5.565 10.623 500 HB3 PRO 71 HB3 PRO 71 20.850 4.937 9.840 501 HG2 PRO 71 HG2 PRO 71 21.299 7.588 11.155 502 HG3 PRO 71 HG3 PRO 71 20.469 7.221 9.631 503 HD2 PRO 71 HD2 PRO 71 19.135 7.704 11.938 504 HD3 PRO 71 HD3 PRO 71 18.525 6.590 10.697 505 H ALA 72 H ALA 72 23.199 4.201 11.897 506 HA ALA 72 HA ALA 72 24.002 5.638 14.301 507 HB1 ALA 72 HB1 ALA 72 25.223 3.431 14.996 508 HB2 ALA 72 HB2 ALA 72 23.535 3.695 15.437 509 HB3 ALA 72 HB3 ALA 72 23.936 2.666 14.062 510 H ALA 73 H ALA 73 25.500 2.972 12.491 511 HA ALA 73 HA ALA 73 27.324 4.785 11.157 512 HB1 ALA 73 HB1 ALA 73 29.305 4.128 12.159 513 HB2 ALA 73 HB2 ALA 73 28.201 4.237 13.531 514 HB3 ALA 73 HB3 ALA 73 28.595 2.663 12.839 515 H GLY 74 H GLY 74 29.231 3.054 10.285 516 HA2 GLY 74 HA2 GLY 74 28.066 0.592 9.347 517 HA3 GLY 74 HA3 GLY 74 28.187 1.823 8.098 518 H GLY 75 H GLY 75 29.584 0.181 7.075 519 HA2 GLY 75 HA2 GLY 75 32.348 0.807 7.598 520 HA3 GLY 75 HA3 GLY 75 31.930 -0.857 7.976 521 H SER 76 H SER 76 33.573 -1.292 6.301 522 HA SER 76 HA SER 76 34.133 -2.041 4.227 523 HB2 SER 76 HB2 SER 76 31.850 -3.119 4.439 524 HB3 SER 76 HB3 SER 76 31.209 -1.763 3.511 525 HG SER 76 HG SER 76 32.247 -3.948 2.553 526 HA PRO 77 HA PRO 77 34.013 2.357 2.715 527 HB2 PRO 77 HB2 PRO 77 36.711 2.651 2.630 528 HB3 PRO 77 HB3 PRO 77 35.756 2.965 4.084 529 HG2 PRO 77 HG2 PRO 77 37.350 0.539 3.352 530 HG3 PRO 77 HG3 PRO 77 37.242 1.379 4.910 531 HD2 PRO 77 HD2 PRO 77 35.869 -0.895 4.383 532 HD3 PRO 77 HD3 PRO 77 35.243 0.372 5.457 533 H SER 78 H SER 78 33.504 2.290 0.614 534 HA SER 78 HA SER 78 35.439 1.853 -1.383 535 HB2 SER 78 HB2 SER 78 35.150 -0.282 -2.072 536 HB3 SER 78 HB3 SER 78 34.478 -0.544 -0.463 537 HG SER 78 HG SER 78 33.238 -0.562 -2.889 538 HA PRO 79 HA PRO 79 32.540 4.107 -3.781 539 HB2 PRO 79 HB2 PRO 79 33.013 3.188 -6.291 540 HB3 PRO 79 HB3 PRO 79 34.141 4.236 -5.424 541 HG2 PRO 79 HG2 PRO 79 34.206 1.264 -5.777 542 HG3 PRO 79 HG3 PRO 79 35.535 2.433 -5.885 543 HD2 PRO 79 HD2 PRO 79 35.107 0.912 -3.685 544 HD3 PRO 79 HD3 PRO 79 35.783 2.551 -3.596 545 HA PRO 80 HA PRO 80 28.814 1.905 -4.555 546 HB2 PRO 80 HB2 PRO 80 27.768 3.223 -6.686 547 HB3 PRO 80 HB3 PRO 80 27.830 3.919 -5.063 548 HG2 PRO 80 HG2 PRO 80 29.658 4.375 -7.389 549 HG3 PRO 80 HG3 PRO 80 28.984 5.553 -6.248 550 HD2 PRO 80 HD2 PRO 80 31.513 4.607 -6.043 551 HD3 PRO 80 HD3 PRO 80 30.546 5.062 -4.625 552 H ALA 81 H ALA 81 27.499 0.818 -6.341 553 HA ALA 81 HA ALA 81 29.361 -0.648 -8.071 554 HB1 ALA 81 HB1 ALA 81 28.127 -2.496 -7.733 555 HB2 ALA 81 HB2 ALA 81 27.517 -1.608 -6.336 556 HB3 ALA 81 HB3 ALA 81 26.599 -1.622 -7.842 557 H ASP 82 H ASP 82 28.119 -1.552 -10.109 558 HA ASP 82 HA ASP 82 27.172 0.812 -11.546 559 HB2 ASP 82 HB2 ASP 82 27.869 -0.215 -13.522 560 HB3 ASP 82 HB3 ASP 82 29.069 -0.762 -12.355 561 H GLY 83 H GLY 83 26.089 -2.263 -10.366 562 HA2 GLY 83 HA2 GLY 83 23.880 -2.947 -10.091 563 HA3 GLY 83 HA3 GLY 83 23.362 -1.586 -11.075 564 H GLY 84 H GLY 84 24.280 -4.922 -11.046 565 HA2 GLY 84 HA2 GLY 84 23.172 -5.221 -13.726 566 HA3 GLY 84 HA3 GLY 84 24.846 -5.714 -13.519 567 H SER 85 H SER 85 22.862 -7.481 -14.347 568 HA SER 85 HA SER 85 21.952 -9.524 -13.914 569 HB2 SER 85 HB2 SER 85 24.352 -9.988 -13.421 570 HB3 SER 85 HB3 SER 85 24.041 -9.623 -11.724 571 HG SER 85 HG SER 85 23.933 -11.880 -12.212 572 HA PRO 86 HA PRO 86 19.493 -7.799 -10.355 573 HB2 PRO 86 HB2 PRO 86 17.122 -7.796 -11.678 574 HB3 PRO 86 HB3 PRO 86 18.259 -6.443 -11.740 575 HG2 PRO 86 HG2 PRO 86 17.824 -8.643 -13.723 576 HG3 PRO 86 HG3 PRO 86 18.060 -6.909 -14.009 577 HD2 PRO 86 HD2 PRO 86 20.051 -8.720 -14.309 578 HD3 PRO 86 HD3 PRO 86 20.348 -7.054 -13.773 579 HA PRO 87 HA PRO 87 17.821 -11.646 -9.036 580 HB2 PRO 87 HB2 PRO 87 15.558 -10.903 -7.733 581 HB3 PRO 87 HB3 PRO 87 17.177 -10.602 -7.092 582 HG2 PRO 87 HG2 PRO 87 15.340 -8.739 -8.546 583 HG3 PRO 87 HG3 PRO 87 16.342 -8.432 -7.116 584 HD2 PRO 87 HD2 PRO 87 17.077 -7.655 -9.603 585 HD3 PRO 87 HD3 PRO 87 18.256 -8.134 -8.365 586 HA PRO 88 HA PRO 88 14.756 -13.255 -11.747 587 HB2 PRO 88 HB2 PRO 88 13.456 -15.055 -10.184 588 HB3 PRO 88 HB3 PRO 88 15.101 -15.310 -10.778 589 HG2 PRO 88 HG2 PRO 88 14.183 -14.346 -8.097 590 HG3 PRO 88 HG3 PRO 88 15.460 -15.512 -8.489 591 HD2 PRO 88 HD2 PRO 88 15.988 -12.934 -7.851 592 HD3 PRO 88 HD3 PRO 88 16.989 -13.861 -8.987 593 HA PRO 89 HA PRO 89 10.840 -11.297 -11.339 594 HB2 PRO 89 HB2 PRO 89 9.150 -13.090 -12.479 595 HB3 PRO 89 HB3 PRO 89 10.304 -12.130 -13.412 596 HG2 PRO 89 HG2 PRO 89 10.519 -14.965 -12.474 597 HG3 PRO 89 HG3 PRO 89 10.950 -14.271 -14.049 598 HD2 PRO 89 HD2 PRO 89 12.794 -14.810 -12.141 599 HD3 PRO 89 HD3 PRO 89 12.966 -13.460 -13.282 600 H ALA 90 H ALA 90 10.410 -11.182 -9.149 601 HA ALA 90 HA ALA 90 8.290 -12.836 -8.181 602 HB1 ALA 90 HB1 ALA 90 9.392 -13.840 -6.299 603 HB2 ALA 90 HB2 ALA 90 10.259 -14.293 -7.767 604 HB3 ALA 90 HB3 ALA 90 10.912 -13.043 -6.708 605 H ASP 91 H ASP 91 7.653 -12.204 -5.926 606 HA ASP 91 HA ASP 91 7.967 -9.317 -5.647 607 HB2 ASP 91 HB2 ASP 91 5.800 -11.059 -5.343 608 HB3 ASP 91 HB3 ASP 91 6.202 -10.547 -3.706 609 H GLY 92 H GLY 92 7.862 -12.084 -3.387 610 HA2 GLY 92 HA2 GLY 92 9.301 -12.589 -1.639 611 HA3 GLY 92 HA3 GLY 92 10.272 -11.190 -2.075 612 H GLY 93 H GLY 93 8.459 -12.452 0.326 613 HA2 GLY 93 HA2 GLY 93 8.498 -10.785 2.273 614 HA3 GLY 93 HA3 GLY 93 7.452 -9.833 1.230 615 H SER 94 H SER 94 7.017 -11.080 3.907 616 HA SER 94 HA SER 94 5.372 -12.156 5.054 617 HB2 SER 94 HB2 SER 94 4.062 -10.511 3.541 618 HB3 SER 94 HB3 SER 94 3.630 -11.944 2.609 619 HG SER 94 HG SER 94 2.095 -11.430 4.256 620 HA PRO 95 HA PRO 95 6.146 -13.481 6.201 621 HB2 PRO 95 HB2 PRO 95 8.205 -15.203 6.604 622 HB3 PRO 95 HB3 PRO 95 6.527 -15.606 6.986 623 HG2 PRO 95 HG2 PRO 95 8.152 -16.344 4.583 624 HG3 PRO 95 HG3 PRO 95 7.041 -17.347 5.533 625 HD2 PRO 95 HD2 PRO 95 6.336 -16.232 3.169 626 HD3 PRO 95 HD3 PRO 95 5.174 -16.495 4.485 627 HA PRO 96 HA PRO 96 9.492 -10.937 4.904 628 HB2 PRO 96 HB2 PRO 96 10.817 -10.547 7.241 629 HB3 PRO 96 HB3 PRO 96 9.253 -9.803 6.888 630 HG2 PRO 96 HG2 PRO 96 9.867 -12.244 8.509 631 HG3 PRO 96 HG3 PRO 96 8.733 -10.926 8.857 632 HD2 PRO 96 HD2 PRO 96 7.932 -13.312 7.858 633 HD3 PRO 96 HD3 PRO 96 7.109 -11.788 7.467 634 H VAL 97 H VAL 97 11.991 -10.703 5.287 635 HA VAL 97 HA VAL 97 14.082 -11.558 4.998 636 HB VAL 97 HB VAL 97 13.061 -14.119 6.221 637 HG11 VAL 97 HG11 VAL 97 15.723 -12.980 5.593 638 HG12 VAL 97 HG12 VAL 97 15.566 -13.887 7.098 639 HG13 VAL 97 HG13 VAL 97 15.169 -14.653 5.560 640 HG21 VAL 97 HG21 VAL 97 12.450 -12.602 7.853 641 HG22 VAL 97 HG22 VAL 97 14.093 -13.017 8.342 642 HG23 VAL 97 HG23 VAL 97 13.783 -11.507 7.484 643 H ASP 98 H ASP 98 15.287 -12.880 3.569 644 HA ASP 98 HA ASP 98 15.641 -13.991 1.616 645 HB2 ASP 98 HB2 ASP 98 14.315 -15.732 3.222 646 HB3 ASP 98 HB3 ASP 98 13.224 -15.675 1.841 647 H GLY 99 H GLY 99 14.377 -14.811 -0.472 648 HA2 GLY 99 HA2 GLY 99 12.056 -14.104 -1.482 649 HA3 GLY 99 HA3 GLY 99 12.766 -12.507 -1.294 650 H GLY 100 H GLY 100 13.231 -15.655 -2.848 651 HA2 GLY 100 HA2 GLY 100 14.028 -14.415 -5.299 652 HA3 GLY 100 HA3 GLY 100 15.397 -15.131 -4.460 653 H SER 101 H SER 101 15.278 -17.433 -3.953 654 HA SER 101 HA SER 101 14.976 -19.609 -4.546 655 HB2 SER 101 HB2 SER 101 12.356 -18.445 -4.556 656 HB3 SER 101 HB3 SER 101 12.468 -19.617 -5.869 657 HG SER 101 HG SER 101 11.828 -20.600 -3.910 658 HA PRO 102 HA PRO 102 16.171 -20.078 -8.739 659 HB2 PRO 102 HB2 PRO 102 15.333 -22.596 -9.311 660 HB3 PRO 102 HB3 PRO 102 16.703 -22.259 -8.246 661 HG2 PRO 102 HG2 PRO 102 13.872 -22.926 -7.537 662 HG3 PRO 102 HG3 PRO 102 15.377 -23.521 -6.813 663 HD2 PRO 102 HD2 PRO 102 13.888 -21.565 -5.678 664 HD3 PRO 102 HD3 PRO 102 15.656 -21.627 -5.529 665 HA PRO 103 HA PRO 103 16.226 -21.573 -10.778 666 HB2 PRO 103 HB2 PRO 103 16.500 -20.400 -13.211 667 HB3 PRO 103 HB3 PRO 103 15.524 -21.851 -12.949 668 HG2 PRO 103 HG2 PRO 103 14.652 -18.995 -13.170 669 HG3 PRO 103 HG3 PRO 103 13.921 -20.447 -13.880 670 HD2 PRO 103 HD2 PRO 103 12.948 -19.270 -11.644 671 HD3 PRO 103 HD3 PRO 103 12.854 -21.022 -11.919 672 HA PRO 104 HA PRO 104 19.039 -18.336 -9.808 673 HB2 PRO 104 HB2 PRO 104 21.193 -18.929 -11.349 674 HB3 PRO 104 HB3 PRO 104 20.731 -19.884 -9.936 675 HG2 PRO 104 HG2 PRO 104 20.205 -20.415 -12.834 676 HG3 PRO 104 HG3 PRO 104 20.720 -21.542 -11.566 677 HD2 PRO 104 HD2 PRO 104 18.153 -21.375 -12.412 678 HD3 PRO 104 HD3 PRO 104 18.583 -21.785 -10.739 679 HA PRO 105 HA PRO 105 18.936 -14.998 -12.668 680 HB2 PRO 105 HB2 PRO 105 21.300 -13.742 -12.212 681 HB3 PRO 105 HB3 PRO 105 19.955 -13.705 -11.065 682 HG2 PRO 105 HG2 PRO 105 22.408 -15.421 -11.054 683 HG3 PRO 105 HG3 PRO 105 21.626 -14.579 -9.704 684 HD2 PRO 105 HD2 PRO 105 21.290 -17.227 -10.160 685 HD3 PRO 105 HD3 PRO 105 20.017 -16.210 -9.454 686 H SER 106 H SER 106 20.660 -13.738 -14.202 687 HA SER 106 HA SER 106 21.191 -15.546 -16.313 688 HB2 SER 106 HB2 SER 106 21.123 -12.724 -15.958 689 HB3 SER 106 HB3 SER 106 22.680 -13.132 -16.678 690 HG SER 106 HG SER 106 20.816 -12.779 -18.144 691 H THR 107 H THR 107 22.618 -17.133 -15.687 692 HA THR 107 HA THR 107 25.345 -16.246 -15.004 693 HB THR 107 HB THR 107 24.033 -18.901 -14.390 694 HG1 THR 107 HG1 THR 107 23.433 -16.953 -13.118 695 HG21 THR 107 HG21 THR 107 26.330 -18.596 -12.847 696 HG22 THR 107 HG22 THR 107 26.805 -18.066 -14.461 697 HG23 THR 107 HG23 THR 107 26.122 -19.675 -14.226 698 H HIS 108 H HIS 108 27.015 -16.853 -16.268 699 HA HIS 108 HA HIS 108 28.135 -17.613 -18.097 700 HB2 HIS 108 HB2 HIS 108 27.803 -19.780 -16.976 701 HB3 HIS 108 HB3 HIS 108 26.262 -19.972 -17.806 702 HD1 HIS 108 HD1 HIS 108 26.435 -20.197 -20.482 703 HD2 HIS 108 HD2 HIS 108 29.973 -20.688 -18.360 704 HE1 HIS 108 HE1 HIS 108 28.020 -21.331 -22.071 Start of MODEL 14 1 H1 ALA 1 H ALA 1 3.464 -0.366 -1.854 2 HA ALA 1 HA ALA 1 4.926 1.491 -2.016 3 HB1 ALA 1 HB1 ALA 1 3.505 3.134 -2.822 4 HB2 ALA 1 HB2 ALA 1 2.380 2.968 -1.473 5 HB3 ALA 1 HB3 ALA 1 3.942 3.750 -1.228 6 H GLY 2 H GLY 2 4.926 -0.351 -0.081 7 HA2 GLY 2 HA2 GLY 2 4.727 0.977 2.512 8 HA3 GLY 2 HA3 GLY 2 5.055 -0.728 2.238 9 H SER 3 H SER 3 6.472 2.504 2.065 10 HA SER 3 HA SER 3 9.083 1.888 1.446 11 HB2 SER 3 HB2 SER 3 8.373 3.940 3.541 12 HB3 SER 3 HB3 SER 3 9.697 3.981 2.377 13 HG SER 3 HG SER 3 7.682 5.273 1.954 14 H LYS 4 H LYS 4 10.599 0.693 2.373 15 HA LYS 4 HA LYS 4 10.967 0.605 5.214 16 HB2 LYS 4 HB2 LYS 4 9.083 -1.103 4.531 17 HB3 LYS 4 HB3 LYS 4 10.447 -2.085 4.012 18 HG2 LYS 4 HG2 LYS 4 10.729 -0.953 6.697 19 HG3 LYS 4 HG3 LYS 4 9.385 -2.082 6.511 20 HD2 LYS 4 HD2 LYS 4 11.493 -3.298 5.176 21 HD3 LYS 4 HD3 LYS 4 12.238 -2.592 6.612 22 HE2 LYS 4 HE2 LYS 4 11.567 -4.512 7.582 23 HE3 LYS 4 HE3 LYS 4 10.021 -3.673 7.701 24 HZ1 LYS 4 HZ1 LYS 4 10.708 -5.320 5.345 25 HZ2 LYS 4 HZ2 LYS 4 9.182 -4.812 5.866 26 HZ3 LYS 4 HZ3 LYS 4 10.016 -6.004 6.729 27 H LEU 5 H LEU 5 12.794 -0.916 5.792 28 HA LEU 5 HA LEU 5 14.771 -0.880 3.615 29 HB2 LEU 5 HB2 LEU 5 15.011 -0.652 6.594 30 HB3 LEU 5 HB3 LEU 5 16.394 -1.112 5.603 31 HG LEU 5 HG LEU 5 15.557 1.155 4.346 32 HD11 LEU 5 HD11 LEU 5 13.966 1.311 6.437 33 HD12 LEU 5 HD12 LEU 5 14.755 2.744 5.778 34 HD13 LEU 5 HD13 LEU 5 15.417 1.952 7.208 35 HD21 LEU 5 HD21 LEU 5 17.658 1.747 4.789 36 HD22 LEU 5 HD22 LEU 5 17.786 0.249 5.710 37 HD23 LEU 5 HD23 LEU 5 17.370 1.755 6.529 38 H CYS 6 H CYS 6 15.965 -2.683 3.123 39 HA CYS 6 HA CYS 6 15.207 -5.171 4.511 40 HB2 CYS 6 HB2 CYS 6 15.740 -4.752 1.563 41 HB3 CYS 6 HB3 CYS 6 15.514 -6.325 2.321 42 H GLU 7 H GLU 7 16.806 -6.694 4.871 43 HA GLU 7 HA GLU 7 19.547 -5.953 4.116 44 HB2 GLU 7 HB2 GLU 7 20.354 -6.512 6.350 45 HB3 GLU 7 HB3 GLU 7 19.178 -5.208 6.424 46 HG2 GLU 7 HG2 GLU 7 17.457 -6.799 7.114 47 HG3 GLU 7 HG3 GLU 7 18.640 -8.103 7.047 48 H LYS 8 H LYS 8 20.853 -7.622 3.556 49 HA LYS 8 HA LYS 8 19.638 -10.301 3.584 50 HB2 LYS 8 HB2 LYS 8 21.436 -8.874 1.685 51 HB3 LYS 8 HB3 LYS 8 21.618 -10.618 1.830 52 HG2 LYS 8 HG2 LYS 8 20.122 -9.977 -0.003 53 HG3 LYS 8 HG3 LYS 8 19.304 -10.949 1.223 54 HD2 LYS 8 HD2 LYS 8 18.340 -8.926 2.193 55 HD3 LYS 8 HD3 LYS 8 19.179 -7.941 0.993 56 HE2 LYS 8 HE2 LYS 8 17.747 -8.510 -0.672 57 HE3 LYS 8 HE3 LYS 8 17.484 -10.133 -0.039 58 HZ1 LYS 8 HZ1 LYS 8 16.398 -8.405 1.818 59 HZ2 LYS 8 HZ2 LYS 8 15.559 -9.406 0.744 60 HZ3 LYS 8 HZ3 LYS 8 15.907 -7.807 0.314 61 H THR 9 H THR 9 20.944 -12.126 4.068 62 HA THR 9 HA THR 9 23.346 -11.491 5.657 63 HB THR 9 HB THR 9 21.698 -13.920 6.245 64 HG1 THR 9 HG1 THR 9 20.115 -12.459 6.523 65 HG21 THR 9 HG21 THR 9 23.744 -13.860 7.415 66 HG22 THR 9 HG22 THR 9 22.537 -13.311 8.577 67 HG23 THR 9 HG23 THR 9 23.582 -12.142 7.773 68 H SER 10 H SER 10 24.078 -11.864 3.246 69 HA SER 10 HA SER 10 25.241 -13.132 1.755 70 HB2 SER 10 HB2 SER 10 26.788 -13.497 3.539 71 HB3 SER 10 HB3 SER 10 25.731 -14.686 4.300 72 HG SER 10 HG SER 10 26.855 -16.071 3.193 73 H LYS 11 H LYS 11 22.699 -13.535 1.314 74 HA LYS 11 HA LYS 11 21.778 -16.206 1.626 75 HB2 LYS 11 HB2 LYS 11 20.818 -13.735 0.432 76 HB3 LYS 11 HB3 LYS 11 20.417 -15.134 -0.554 77 HG2 LYS 11 HG2 LYS 11 18.609 -14.690 0.953 78 HG3 LYS 11 HG3 LYS 11 19.398 -16.194 1.434 79 HD2 LYS 11 HD2 LYS 11 19.783 -15.374 3.463 80 HD3 LYS 11 HD3 LYS 11 20.664 -14.010 2.770 81 HE2 LYS 11 HE2 LYS 11 18.917 -12.605 2.994 82 HE3 LYS 11 HE3 LYS 11 17.737 -13.841 2.564 83 HZ1 LYS 11 HZ1 LYS 11 17.344 -14.290 4.694 84 HZ2 LYS 11 HZ2 LYS 11 18.154 -12.850 5.055 85 HZ3 LYS 11 HZ3 LYS 11 18.986 -14.322 5.100 86 H THR 12 H THR 12 23.898 -14.675 -0.596 87 HA THR 12 HA THR 12 24.384 -17.182 -1.938 88 HB THR 12 HB THR 12 22.593 -16.478 -3.350 89 HG1 THR 12 HG1 THR 12 23.760 -16.151 -5.326 90 HG21 THR 12 HG21 THR 12 22.539 -14.113 -2.665 91 HG22 THR 12 HG22 THR 12 22.506 -14.290 -4.419 92 HG23 THR 12 HG23 THR 12 23.998 -13.817 -3.609 93 H TYR 13 H TYR 13 26.231 -16.222 -0.466 94 HA TYR 13 HA TYR 13 28.036 -14.697 -2.228 95 HB2 TYR 13 HB2 TYR 13 27.426 -13.363 -0.283 96 HB3 TYR 13 HB3 TYR 13 27.897 -14.673 0.794 97 HD1 TYR 13 HD2 TYR 13 29.373 -12.614 -1.958 98 HD2 TYR 13 HD1 TYR 13 29.967 -14.525 1.796 99 HE1 TYR 13 HE2 TYR 13 31.657 -11.706 -1.864 100 HE2 TYR 13 HE1 TYR 13 32.253 -13.622 1.901 101 HH TYR 13 HH TYR 13 33.643 -11.824 -0.798 102 H SER 14 H SER 14 27.447 -17.690 -1.243 103 HA SER 14 HA SER 14 29.549 -18.854 -0.024 104 HB2 SER 14 HB2 SER 14 28.797 -20.190 -2.562 105 HB3 SER 14 HB3 SER 14 28.827 -20.825 -0.917 106 HG SER 14 HG SER 14 26.696 -20.640 -1.652 107 H GLY 15 H GLY 15 31.635 -18.336 -0.209 108 HA2 GLY 15 HA2 GLY 15 33.433 -19.116 -1.963 109 HA3 GLY 15 HA3 GLY 15 32.753 -17.762 -2.853 110 H LYS 16 H LYS 16 34.762 -18.739 -0.208 111 HA LYS 16 HA LYS 16 36.093 -17.583 1.249 112 HB2 LYS 16 HB2 LYS 16 37.615 -16.093 0.201 113 HB3 LYS 16 HB3 LYS 16 37.175 -17.282 -1.018 114 HG2 LYS 16 HG2 LYS 16 35.842 -15.762 -2.188 115 HG3 LYS 16 HG3 LYS 16 35.766 -14.643 -0.825 116 HD2 LYS 16 HD2 LYS 16 37.826 -13.762 -1.257 117 HD3 LYS 16 HD3 LYS 16 38.444 -15.265 -1.945 118 HE2 LYS 16 HE2 LYS 16 36.272 -14.066 -3.490 119 HE3 LYS 16 HE3 LYS 16 37.702 -13.043 -3.368 120 HZ1 LYS 16 HZ1 LYS 16 37.304 -15.389 -4.918 121 HZ2 LYS 16 HZ2 LYS 16 38.648 -15.568 -3.908 122 HZ3 LYS 16 HZ3 LYS 16 38.567 -14.265 -4.984 123 H CYS 17 H CYS 17 36.725 -14.900 1.517 124 HA CYS 17 HA CYS 17 34.267 -13.386 1.758 125 HB2 CYS 17 HB2 CYS 17 34.855 -14.969 3.877 126 HB3 CYS 17 HB3 CYS 17 35.754 -13.519 4.311 127 H ASP 18 H ASP 18 34.605 -11.167 2.119 128 HA ASP 18 HA ASP 18 37.152 -10.049 2.675 129 HB2 ASP 18 HB2 ASP 18 36.995 -10.939 0.094 130 HB3 ASP 18 HB3 ASP 18 36.461 -9.269 -0.077 131 H ASN 19 H ASN 19 36.974 -7.602 1.471 132 HA ASN 19 HA ASN 19 34.605 -6.505 2.780 133 HB2 ASN 19 HB2 ASN 19 36.528 -5.378 3.508 134 HB3 ASN 19 HB3 ASN 19 37.230 -5.340 1.893 135 HD21 ASN 19 HD22 ASN 19 34.029 -4.415 3.092 136 HD22 ASN 19 HD21 ASN 19 34.106 -2.779 2.543 137 H LYS 20 H LYS 20 36.412 -5.651 -0.175 138 HA LYS 20 HA LYS 20 34.178 -4.422 -1.409 139 HB2 LYS 20 HB2 LYS 20 36.769 -4.209 -1.860 140 HB3 LYS 20 HB3 LYS 20 36.456 -5.491 -3.023 141 HG2 LYS 20 HG2 LYS 20 34.489 -3.442 -3.328 142 HG3 LYS 20 HG3 LYS 20 36.101 -2.723 -3.352 143 HD2 LYS 20 HD2 LYS 20 35.927 -5.184 -4.905 144 HD3 LYS 20 HD3 LYS 20 34.830 -3.926 -5.481 145 HE2 LYS 20 HE2 LYS 20 37.800 -3.631 -5.041 146 HE3 LYS 20 HE3 LYS 20 36.996 -3.796 -6.601 147 HZ1 LYS 20 HZ1 LYS 20 35.809 -1.685 -5.178 148 HZ2 LYS 20 HZ2 LYS 20 36.663 -1.622 -6.636 149 HZ3 LYS 20 HZ3 LYS 20 37.485 -1.459 -5.166 150 H LYS 21 H LYS 21 35.579 -7.646 -1.599 151 HA LYS 21 HA LYS 21 34.138 -8.602 -3.803 152 HB2 LYS 21 HB2 LYS 21 35.218 -10.059 -1.386 153 HB3 LYS 21 HB3 LYS 21 34.567 -10.865 -2.808 154 HG2 LYS 21 HG2 LYS 21 36.974 -9.057 -2.722 155 HG3 LYS 21 HG3 LYS 21 36.979 -10.813 -2.904 156 HD2 LYS 21 HD2 LYS 21 37.108 -10.300 -5.102 157 HD3 LYS 21 HD3 LYS 21 35.357 -10.142 -4.943 158 HE2 LYS 21 HE2 LYS 21 35.493 -8.009 -5.543 159 HE3 LYS 21 HE3 LYS 21 36.534 -7.682 -4.158 160 HZ1 LYS 21 HZ1 LYS 21 38.166 -8.890 -5.997 161 HZ2 LYS 21 HZ2 LYS 21 38.118 -7.240 -5.628 162 HZ3 LYS 21 HZ3 LYS 21 37.209 -7.844 -6.920 163 H CYS 22 H CYS 22 33.290 -8.333 -0.406 164 HA CYS 22 HA CYS 22 30.848 -9.830 -0.676 165 HB2 CYS 22 HB2 CYS 22 32.436 -9.064 1.455 166 HB3 CYS 22 HB3 CYS 22 31.013 -8.042 1.630 167 H ASP 23 H ASP 23 31.560 -6.404 0.020 168 HA ASP 23 HA ASP 23 28.973 -5.428 -0.138 169 HB2 ASP 23 HB2 ASP 23 31.298 -4.278 0.429 170 HB3 ASP 23 HB3 ASP 23 31.184 -3.762 -1.251 171 H LYS 24 H LYS 24 31.313 -5.983 -2.725 172 HA LYS 24 HA LYS 24 29.804 -4.808 -4.803 173 HB2 LYS 24 HB2 LYS 24 32.139 -5.192 -5.151 174 HB3 LYS 24 HB3 LYS 24 31.970 -6.910 -4.814 175 HG2 LYS 24 HG2 LYS 24 30.686 -7.206 -6.854 176 HG3 LYS 24 HG3 LYS 24 30.789 -5.475 -7.184 177 HD2 LYS 24 HD2 LYS 24 32.941 -5.602 -7.881 178 HD3 LYS 24 HD3 LYS 24 33.352 -6.871 -6.725 179 HE2 LYS 24 HE2 LYS 24 32.457 -8.556 -8.098 180 HE3 LYS 24 HE3 LYS 24 31.587 -7.395 -9.099 181 HZ1 LYS 24 HZ1 LYS 24 33.857 -6.537 -9.747 182 HZ2 LYS 24 HZ2 LYS 24 33.433 -8.058 -10.354 183 HZ3 LYS 24 HZ3 LYS 24 34.496 -7.937 -9.044 184 H LYS 25 H LYS 25 30.129 -8.190 -3.751 185 HA LYS 25 HA LYS 25 28.389 -9.308 -5.643 186 HB2 LYS 25 HB2 LYS 25 29.827 -10.759 -4.416 187 HB3 LYS 25 HB3 LYS 25 29.193 -10.196 -2.875 188 HG2 LYS 25 HG2 LYS 25 27.293 -11.459 -4.770 189 HG3 LYS 25 HG3 LYS 25 28.458 -12.498 -3.946 190 HD2 LYS 25 HD2 LYS 25 27.454 -12.246 -1.942 191 HD3 LYS 25 HD3 LYS 25 27.091 -10.542 -2.225 192 HE2 LYS 25 HE2 LYS 25 25.120 -11.023 -3.358 193 HE3 LYS 25 HE3 LYS 25 25.614 -12.677 -3.716 194 HZ1 LYS 25 HZ1 LYS 25 25.318 -13.259 -1.415 195 HZ2 LYS 25 HZ2 LYS 25 23.894 -12.553 -1.993 196 HZ3 LYS 25 HZ3 LYS 25 24.940 -11.661 -1.008 197 H CYS 26 H CYS 26 27.780 -7.550 -2.722 198 HA CYS 26 HA CYS 26 25.121 -8.432 -2.271 199 HB2 CYS 26 HB2 CYS 26 26.678 -6.006 -1.398 200 HB3 CYS 26 HB3 CYS 26 24.980 -6.211 -0.978 201 H ILE 27 H ILE 27 26.423 -5.492 -3.805 202 HA ILE 27 HA ILE 27 23.815 -4.668 -4.708 203 HB ILE 27 HB ILE 27 26.463 -3.555 -5.619 204 HG12 ILE 27 HG12 ILE 27 25.221 -1.969 -3.578 205 HG13 ILE 27 HG13 ILE 27 25.438 -3.609 -2.977 206 HG21 ILE 27 HG21 ILE 27 23.622 -2.720 -5.795 207 HG22 ILE 27 HG22 ILE 27 24.834 -1.461 -5.564 208 HG23 ILE 27 HG23 ILE 27 24.933 -2.534 -6.960 209 HD11 ILE 27 HD11 ILE 27 27.465 -1.587 -3.755 210 HD12 ILE 27 HD12 ILE 27 27.423 -2.678 -2.369 211 HD13 ILE 27 HD13 ILE 27 27.851 -3.295 -3.965 212 H GLU 28 H GLU 28 26.281 -6.713 -5.875 213 HA GLU 28 HA GLU 28 25.603 -6.407 -8.672 214 HB2 GLU 28 HB2 GLU 28 27.535 -8.099 -7.130 215 HB3 GLU 28 HB3 GLU 28 27.132 -8.531 -8.786 216 HG2 GLU 28 HG2 GLU 28 27.790 -5.718 -8.499 217 HG3 GLU 28 HG3 GLU 28 29.099 -6.782 -7.987 218 H TRP 29 H TRP 29 25.155 -8.831 -6.126 219 HA TRP 29 HA TRP 29 23.345 -10.316 -7.897 220 HB2 TRP 29 HB2 TRP 29 24.737 -11.085 -5.330 221 HB3 TRP 29 HB3 TRP 29 23.505 -12.086 -6.092 222 HD1 TRP 29 HD1 TRP 29 25.697 -10.415 -8.604 223 HE1 TRP 29 HE1 TRP 29 27.381 -12.106 -9.568 224 HE3 TRP 29 HE3 TRP 29 24.994 -14.241 -5.287 225 HZ2 TRP 29 HZ2 TRP 29 28.290 -14.717 -8.998 226 HZ3 TRP 29 HZ3 TRP 29 26.310 -16.301 -5.567 227 HH2 TRP 29 HH2 TRP 29 27.923 -16.533 -7.385 228 H GLU 30 H GLU 30 23.527 -9.116 -4.547 229 HA GLU 30 HA GLU 30 20.673 -9.459 -4.198 230 HB2 GLU 30 HB2 GLU 30 22.906 -8.507 -2.424 231 HB3 GLU 30 HB3 GLU 30 21.224 -8.310 -1.950 232 HG2 GLU 30 HG2 GLU 30 20.866 -10.665 -1.959 233 HG3 GLU 30 HG3 GLU 30 22.447 -10.956 -2.682 234 H LYS 31 H LYS 31 22.479 -7.226 -5.744 235 HA LYS 31 HA LYS 31 22.281 -5.000 -6.249 236 HB2 LYS 31 HB2 LYS 31 19.331 -5.595 -5.993 237 HB3 LYS 31 HB3 LYS 31 20.086 -4.373 -7.008 238 HG2 LYS 31 HG2 LYS 31 20.193 -7.359 -7.342 239 HG3 LYS 31 HG3 LYS 31 19.438 -6.174 -8.411 240 HD2 LYS 31 HD2 LYS 31 22.391 -6.467 -7.860 241 HD3 LYS 31 HD3 LYS 31 21.551 -6.923 -9.344 242 HE2 LYS 31 HE2 LYS 31 20.794 -4.421 -9.333 243 HE3 LYS 31 HE3 LYS 31 22.188 -4.207 -8.276 244 HZ1 LYS 31 HZ1 LYS 31 22.257 -4.177 -10.977 245 HZ2 LYS 31 HZ2 LYS 31 22.756 -5.756 -10.631 246 HZ3 LYS 31 HZ3 LYS 31 23.594 -4.441 -9.974 247 H ALA 32 H ALA 32 22.576 -5.519 -3.435 248 HA ALA 32 HA ALA 32 20.767 -3.802 -2.005 249 HB1 ALA 32 HB1 ALA 32 22.437 -5.840 -1.273 250 HB2 ALA 32 HB2 ALA 32 23.301 -4.417 -0.689 251 HB3 ALA 32 HB3 ALA 32 21.645 -4.720 -0.164 252 H GLN 33 H GLN 33 22.372 -2.368 -0.316 253 HA GLN 33 HA GLN 33 23.548 -0.386 -2.143 254 HB2 GLN 33 HB2 GLN 33 21.585 -0.070 -0.225 255 HB3 GLN 33 HB3 GLN 33 23.033 0.506 0.591 256 HG2 GLN 33 HG2 GLN 33 23.039 1.602 -2.013 257 HG3 GLN 33 HG3 GLN 33 21.424 1.827 -1.342 258 HE21 GLN 33 HE22 GLN 33 24.813 2.077 -0.313 259 HE22 GLN 33 HE21 GLN 33 24.619 3.560 0.551 260 H HIS 34 H HIS 34 23.992 -1.860 1.060 261 HA HIS 34 HA HIS 34 26.886 -1.589 0.712 262 HB2 HIS 34 HB2 HIS 34 25.497 0.136 2.351 263 HB3 HIS 34 HB3 HIS 34 26.030 -1.113 3.473 264 HD1 HIS 34 HD1 HIS 34 28.356 -0.902 4.317 265 HD2 HIS 34 HD2 HIS 34 27.747 1.300 0.847 266 HE1 HIS 34 HE1 HIS 34 30.482 0.395 3.961 267 H GLY 35 H GLY 35 28.134 -3.090 1.923 268 HA2 GLY 35 HA2 GLY 35 26.719 -5.129 3.448 269 HA3 GLY 35 HA3 GLY 35 27.472 -5.668 1.954 270 H ALA 36 H ALA 36 28.142 -6.655 4.505 271 HA ALA 36 HA ALA 36 30.984 -6.082 4.490 272 HB1 ALA 36 HB1 ALA 36 29.185 -5.144 6.616 273 HB2 ALA 36 HB2 ALA 36 30.630 -5.990 7.172 274 HB3 ALA 36 HB3 ALA 36 30.784 -4.568 6.140 275 H CYS 37 H CYS 37 32.229 -7.637 5.720 276 HA CYS 37 HA CYS 37 30.747 -10.133 6.233 277 HB2 CYS 37 HB2 CYS 37 31.962 -10.605 4.288 278 HB3 CYS 37 HB3 CYS 37 33.356 -9.668 4.818 279 H HIS 38 H HIS 38 31.229 -11.265 8.060 280 HA HIS 38 HA HIS 38 33.509 -10.466 9.690 281 HB2 HIS 38 HB2 HIS 38 31.218 -9.201 10.227 282 HB3 HIS 38 HB3 HIS 38 30.918 -10.675 11.142 283 HD1 HIS 38 HD1 HIS 38 32.588 -11.183 13.121 284 HD2 HIS 38 HD2 HIS 38 33.003 -7.438 11.371 285 HE1 HIS 38 HE1 HIS 38 33.975 -9.839 14.731 286 H LYS 39 H LYS 39 34.154 -12.025 11.202 287 HA LYS 39 HA LYS 39 33.182 -14.708 10.604 288 HB2 LYS 39 HB2 LYS 39 35.187 -15.496 11.719 289 HB3 LYS 39 HB3 LYS 39 35.611 -14.252 10.549 290 HG2 LYS 39 HG2 LYS 39 36.849 -13.475 12.258 291 HG3 LYS 39 HG3 LYS 39 35.323 -12.727 12.735 292 HD2 LYS 39 HD2 LYS 39 36.029 -13.745 14.698 293 HD3 LYS 39 HD3 LYS 39 34.920 -14.940 14.021 294 HE2 LYS 39 HE2 LYS 39 36.622 -16.366 14.379 295 HE3 LYS 39 HE3 LYS 39 37.252 -15.700 12.873 296 HZ1 LYS 39 HZ1 LYS 39 37.925 -14.226 15.280 297 HZ2 LYS 39 HZ2 LYS 39 38.882 -14.606 13.939 298 HZ3 LYS 39 HZ3 LYS 39 38.627 -15.760 15.149 299 H ARG 40 H ARG 40 31.992 -15.902 11.956 300 HA ARG 40 HA ARG 40 32.032 -15.553 14.794 301 HB2 ARG 40 HB2 ARG 40 30.390 -13.779 13.535 302 HB3 ARG 40 HB3 ARG 40 29.287 -15.119 13.816 303 HG2 ARG 40 HG2 ARG 40 28.965 -14.040 15.768 304 HG3 ARG 40 HG3 ARG 40 30.393 -14.962 16.244 305 HD2 ARG 40 HD2 ARG 40 31.821 -13.106 15.890 306 HD3 ARG 40 HD3 ARG 40 30.557 -12.206 15.053 307 HE ARG 40 HE ARG 40 29.763 -12.809 17.703 308 HH11 ARG 40 HH12 ARG 40 31.865 -10.724 15.871 309 HH12 ARG 40 HH11 ARG 40 31.848 -9.454 17.050 310 HH21 ARG 40 HH22 ARG 40 29.733 -11.144 19.262 311 HH22 ARG 40 HH21 ARG 40 30.636 -9.695 18.979 312 H GLU 41 H GLU 41 29.887 -16.804 15.665 313 HA GLU 41 HA GLU 41 29.112 -18.923 16.020 314 HB2 GLU 41 HB2 GLU 41 28.694 -18.802 13.028 315 HB3 GLU 41 HB3 GLU 41 27.882 -19.895 14.141 316 HG2 GLU 41 HG2 GLU 41 26.513 -18.269 14.965 317 HG3 GLU 41 HG3 GLU 41 27.664 -16.976 14.634 318 H ALA 42 H ALA 42 31.029 -19.931 16.656 319 HA ALA 42 HA ALA 42 32.618 -21.561 16.606 320 HB1 ALA 42 HB1 ALA 42 30.842 -22.916 15.599 321 HB2 ALA 42 HB2 ALA 42 31.323 -22.349 13.999 322 HB3 ALA 42 HB3 ALA 42 32.430 -23.335 14.954 323 H GLY 43 H GLY 43 32.364 -21.047 13.099 324 HA2 GLY 43 HA2 GLY 43 34.684 -19.369 12.980 325 HA3 GLY 43 HA3 GLY 43 35.045 -21.027 12.522 326 H LYS 44 H LYS 44 31.980 -19.435 11.900 327 HA LYS 44 HA LYS 44 32.559 -19.621 9.019 328 HB2 LYS 44 HB2 LYS 44 30.154 -19.805 8.673 329 HB3 LYS 44 HB3 LYS 44 30.706 -21.043 9.793 330 HG2 LYS 44 HG2 LYS 44 30.009 -19.328 11.617 331 HG3 LYS 44 HG3 LYS 44 29.048 -18.618 10.318 332 HD2 LYS 44 HD2 LYS 44 27.544 -20.098 11.250 333 HD3 LYS 44 HD3 LYS 44 28.243 -21.075 9.957 334 HE2 LYS 44 HE2 LYS 44 29.923 -21.847 11.755 335 HE3 LYS 44 HE3 LYS 44 28.758 -21.199 12.909 336 HZ1 LYS 44 HZ1 LYS 44 28.642 -23.609 11.347 337 HZ2 LYS 44 HZ2 LYS 44 27.220 -22.697 11.264 338 HZ3 LYS 44 HZ3 LYS 44 27.815 -23.200 12.765 339 H GLU 45 H GLU 45 32.538 -17.831 7.803 340 HA GLU 45 HA GLU 45 31.991 -15.290 9.122 341 HB2 GLU 45 HB2 GLU 45 33.668 -16.192 6.898 342 HB3 GLU 45 HB3 GLU 45 32.823 -14.687 6.566 343 HG2 GLU 45 HG2 GLU 45 33.840 -13.592 8.379 344 HG3 GLU 45 HG3 GLU 45 34.409 -15.107 9.077 345 H SER 46 H SER 46 30.220 -14.118 8.777 346 HA SER 46 HA SER 46 28.458 -14.897 6.547 347 HB2 SER 46 HB2 SER 46 27.388 -13.363 8.869 348 HB3 SER 46 HB3 SER 46 26.609 -14.599 7.881 349 HG SER 46 HG SER 46 27.179 -15.235 10.080 350 H CYS 47 H CYS 47 27.403 -13.278 5.361 351 HA CYS 47 HA CYS 47 28.677 -10.630 5.554 352 HB2 CYS 47 HB2 CYS 47 28.955 -12.136 3.451 353 HB3 CYS 47 HB3 CYS 47 27.304 -11.647 3.083 354 H PHE 48 H PHE 48 27.442 -8.939 6.038 355 HA PHE 48 HA PHE 48 24.520 -9.245 5.823 356 HB2 PHE 48 HB2 PHE 48 24.627 -7.339 7.636 357 HB3 PHE 48 HB3 PHE 48 24.828 -9.025 8.100 358 HD1 PHE 48 HD1 PHE 48 27.042 -9.901 8.669 359 HD2 PHE 48 HD2 PHE 48 26.431 -5.783 7.784 360 HE1 PHE 48 HE1 PHE 48 29.220 -9.365 9.680 361 HE2 PHE 48 HE2 PHE 48 28.609 -5.240 8.792 362 HZ PHE 48 HZ PHE 48 30.007 -7.032 9.741 363 H CYS 49 H CYS 49 23.496 -7.909 4.491 364 HA CYS 49 HA CYS 49 24.807 -5.377 3.752 365 HB2 CYS 49 HB2 CYS 49 23.102 -6.901 1.806 366 HB3 CYS 49 HB3 CYS 49 24.316 -5.667 1.483 367 H TYR 50 H TYR 50 23.366 -3.676 3.072 368 HA TYR 50 HA TYR 50 20.553 -4.030 3.808 369 HB2 TYR 50 HB2 TYR 50 20.505 -2.343 5.386 370 HB3 TYR 50 HB3 TYR 50 22.090 -3.043 5.696 371 HD1 TYR 50 HD1 TYR 50 20.290 -0.157 4.330 372 HD2 TYR 50 HD2 TYR 50 24.115 -1.832 5.144 373 HE1 TYR 50 HE1 TYR 50 21.323 2.047 3.978 374 HE2 TYR 50 HE2 TYR 50 25.159 0.368 4.796 375 HH TYR 50 HH TYR 50 24.831 2.463 4.048 376 H PHE 51 H PHE 51 19.149 -2.890 2.576 377 HA PHE 51 HA PHE 51 20.090 -0.679 0.941 378 HB2 PHE 51 HB2 PHE 51 19.503 -1.621 -1.159 379 HB3 PHE 51 HB3 PHE 51 20.485 -2.834 -0.346 380 HD1 PHE 51 HD1 PHE 51 19.412 -4.831 0.640 381 HD2 PHE 51 HD2 PHE 51 17.243 -2.038 -1.728 382 HE1 PHE 51 HE1 PHE 51 17.623 -6.491 0.327 383 HE2 PHE 51 HE2 PHE 51 15.450 -3.693 -2.045 384 HZ PHE 51 HZ PHE 51 15.638 -5.923 -1.016 385 H ASP 52 H ASP 52 18.370 0.545 -0.021 386 HA ASP 52 HA ASP 52 16.089 0.752 1.655 387 HB2 ASP 52 HB2 ASP 52 15.331 2.414 -0.137 388 HB3 ASP 52 HB3 ASP 52 16.844 2.770 0.692 389 H CYS 53 H CYS 53 14.119 -0.119 1.489 390 HA CYS 53 HA CYS 53 13.506 -1.665 -0.944 391 HB2 CYS 53 HB2 CYS 53 13.403 -2.356 1.860 392 HB3 CYS 53 HB3 CYS 53 11.813 -2.534 1.123 393 H SER 54 H SER 54 11.376 -1.636 -1.748 394 HA SER 54 HA SER 54 9.364 -0.720 -2.292 395 HB2 SER 54 HB2 SER 54 9.542 -0.376 0.599 396 HB3 SER 54 HB3 SER 54 8.566 0.878 -0.166 397 HG SER 54 HG SER 54 7.207 -0.653 -0.959 398 H LYS 55 H LYS 55 10.458 1.871 -0.135 399 HA LYS 55 HA LYS 55 11.369 3.536 -2.284 400 HB2 LYS 55 HB2 LYS 55 8.596 3.713 -1.370 401 HB3 LYS 55 HB3 LYS 55 9.452 5.246 -1.268 402 HG2 LYS 55 HG2 LYS 55 9.142 3.535 -3.726 403 HG3 LYS 55 HG3 LYS 55 8.311 5.055 -3.389 404 HD2 LYS 55 HD2 LYS 55 9.988 6.105 -4.410 405 HD3 LYS 55 HD3 LYS 55 11.030 5.615 -3.072 406 HE2 LYS 55 HE2 LYS 55 11.322 3.418 -4.355 407 HE3 LYS 55 HE3 LYS 55 10.632 4.278 -5.731 408 HZ1 LYS 55 HZ1 LYS 55 12.463 5.568 -5.965 409 HZ2 LYS 55 HZ2 LYS 55 13.214 4.221 -5.271 410 HZ3 LYS 55 HZ3 LYS 55 12.837 5.564 -4.315 411 H SER 56 H SER 56 12.168 2.491 0.388 412 HA SER 56 HA SER 56 12.193 4.605 2.264 413 HB2 SER 56 HB2 SER 56 12.848 1.976 2.380 414 HB3 SER 56 HB3 SER 56 14.456 2.699 2.326 415 HG SER 56 HG SER 56 12.401 3.118 4.222 416 HA PRO 57 HA PRO 57 15.292 7.282 0.660 417 HB2 PRO 57 HB2 PRO 57 16.128 8.433 2.972 418 HB3 PRO 57 HB3 PRO 57 14.573 8.808 2.220 419 HG2 PRO 57 HG2 PRO 57 15.180 6.962 4.497 420 HG3 PRO 57 HG3 PRO 57 13.852 8.124 4.323 421 HD2 PRO 57 HD2 PRO 57 13.532 5.471 3.888 422 HD3 PRO 57 HD3 PRO 57 12.614 6.702 2.997 423 HA PRO 58 HA PRO 58 19.309 5.538 1.053 424 HB2 PRO 58 HB2 PRO 58 20.930 7.715 1.019 425 HB3 PRO 58 HB3 PRO 58 20.062 7.142 -0.410 426 HG2 PRO 58 HG2 PRO 58 19.362 9.368 1.465 427 HG3 PRO 58 HG3 PRO 58 19.272 9.327 -0.305 428 HD2 PRO 58 HD2 PRO 58 17.098 8.982 1.272 429 HD3 PRO 58 HD3 PRO 58 17.272 8.181 -0.303 430 H GLY 59 H GLY 59 19.633 4.563 2.995 431 HA2 GLY 59 HA2 GLY 59 21.317 4.814 4.842 432 HA3 GLY 59 HA3 GLY 59 20.458 6.294 5.245 433 H ALA 60 H ALA 60 19.207 6.084 6.964 434 HA ALA 60 HA ALA 60 17.932 5.157 8.613 435 HB1 ALA 60 HB1 ALA 60 16.305 5.275 6.766 436 HB2 ALA 60 HB2 ALA 60 16.737 3.628 6.304 437 HB3 ALA 60 HB3 ALA 60 15.981 3.935 7.868 438 H THR 61 H THR 61 16.849 2.702 9.074 439 HA THR 61 HA THR 61 19.179 0.895 9.064 440 HB THR 61 HB THR 61 19.115 1.416 11.302 441 HG1 THR 61 HG1 THR 61 17.058 -0.535 11.355 442 HG21 THR 61 HG21 THR 61 16.983 1.775 12.570 443 HG22 THR 61 HG22 THR 61 16.119 1.662 11.036 444 HG23 THR 61 HG23 THR 61 17.283 2.960 11.299 445 HA PRO 62 HA PRO 62 16.585 -2.175 7.288 446 HB2 PRO 62 HB2 PRO 62 17.766 -4.424 8.247 447 HB3 PRO 62 HB3 PRO 62 18.492 -3.421 6.986 448 HG2 PRO 62 HG2 PRO 62 19.071 -3.487 9.922 449 HG3 PRO 62 HG3 PRO 62 20.203 -3.395 8.560 450 HD2 PRO 62 HD2 PRO 62 19.493 -1.223 10.013 451 HD3 PRO 62 HD3 PRO 62 19.884 -1.129 8.284 452 H ALA 63 H ALA 63 14.779 -3.355 7.752 453 HA ALA 63 HA ALA 63 13.035 -4.208 8.940 454 HB1 ALA 63 HB1 ALA 63 15.407 -4.980 10.497 455 HB2 ALA 63 HB2 ALA 63 13.881 -5.006 11.382 456 HB3 ALA 63 HB3 ALA 63 14.063 -5.959 9.909 457 HA PRO 64 HA PRO 64 11.382 -1.028 11.472 458 HB2 PRO 64 HB2 PRO 64 9.641 -2.385 13.052 459 HB3 PRO 64 HB3 PRO 64 9.355 -2.101 11.331 460 HG2 PRO 64 HG2 PRO 64 10.407 -4.548 12.698 461 HG3 PRO 64 HG3 PRO 64 9.220 -4.422 11.386 462 HD2 PRO 64 HD2 PRO 64 11.811 -5.071 10.948 463 HD3 PRO 64 HD3 PRO 64 10.844 -4.158 9.772 464 HA PRO 65 HA PRO 65 13.381 -0.677 15.372 465 HB2 PRO 65 HB2 PRO 65 11.568 0.694 16.856 466 HB3 PRO 65 HB3 PRO 65 12.490 1.434 15.542 467 HG2 PRO 65 HG2 PRO 65 9.684 0.393 15.533 468 HG3 PRO 65 HG3 PRO 65 10.326 1.884 14.821 469 HD2 PRO 65 HD2 PRO 65 9.831 -0.336 13.352 470 HD3 PRO 65 HD3 PRO 65 11.144 0.794 12.963 471 H GLY 66 H GLY 66 13.739 -2.187 16.867 472 HA2 GLY 66 HA2 GLY 66 11.956 -2.979 18.848 473 HA3 GLY 66 HA3 GLY 66 11.819 -4.159 17.553 474 H ALA 67 H ALA 67 14.454 -4.286 16.692 475 HA ALA 67 HA ALA 67 16.242 -4.707 18.885 476 HB1 ALA 67 HB1 ALA 67 16.457 -7.161 18.585 477 HB2 ALA 67 HB2 ALA 67 14.902 -6.665 19.254 478 HB3 ALA 67 HB3 ALA 67 15.025 -7.122 17.555 479 H ALA 68 H ALA 68 16.711 -3.147 16.806 480 HA ALA 68 HA ALA 68 18.638 -4.677 15.190 481 HB1 ALA 68 HB1 ALA 68 18.073 -3.553 13.219 482 HB2 ALA 68 HB2 ALA 68 16.519 -3.950 13.955 483 HB3 ALA 68 HB3 ALA 68 17.161 -2.313 14.081 484 HA PRO 69 HA PRO 69 20.720 -1.190 17.446 485 HB2 PRO 69 HB2 PRO 69 22.835 -2.678 18.271 486 HB3 PRO 69 HB3 PRO 69 21.322 -2.574 19.179 487 HG2 PRO 69 HG2 PRO 69 22.268 -4.715 17.313 488 HG3 PRO 69 HG3 PRO 69 21.460 -4.876 18.883 489 HD2 PRO 69 HD2 PRO 69 20.143 -5.144 16.532 490 HD3 PRO 69 HD3 PRO 69 19.372 -4.485 17.989 491 HA PRO 70 HA PRO 70 23.655 -0.235 14.315 492 HB2 PRO 70 HB2 PRO 70 25.662 0.945 15.712 493 HB3 PRO 70 HB3 PRO 70 24.095 1.718 15.443 494 HG2 PRO 70 HG2 PRO 70 25.096 0.253 17.855 495 HG3 PRO 70 HG3 PRO 70 24.179 1.768 17.767 496 HD2 PRO 70 HD2 PRO 70 23.015 -0.607 18.346 497 HD3 PRO 70 HD3 PRO 70 22.169 0.681 17.466 498 HA PRO 71 HA PRO 71 26.823 -3.254 13.893 499 HB2 PRO 71 HB2 PRO 71 28.767 -1.904 12.564 500 HB3 PRO 71 HB3 PRO 71 27.247 -2.393 11.806 501 HG2 PRO 71 HG2 PRO 71 28.037 0.270 12.922 502 HG3 PRO 71 HG3 PRO 71 27.176 -0.101 11.417 503 HD2 PRO 71 HD2 PRO 71 25.902 0.732 13.656 504 HD3 PRO 71 HD3 PRO 71 25.158 -0.384 12.493 505 H ALA 72 H ALA 72 29.251 -3.624 14.210 506 HA ALA 72 HA ALA 72 30.011 -2.415 16.770 507 HB1 ALA 72 HB1 ALA 72 30.665 -4.448 17.374 508 HB2 ALA 72 HB2 ALA 72 30.019 -5.056 15.849 509 HB3 ALA 72 HB3 ALA 72 31.714 -4.584 15.962 510 H ALA 73 H ALA 73 32.540 -2.430 17.044 511 HA ALA 73 HA ALA 73 33.558 -0.424 15.353 512 HB1 ALA 73 HB1 ALA 73 35.618 -1.923 16.744 513 HB2 ALA 73 HB2 ALA 73 35.128 -0.238 16.923 514 HB3 ALA 73 HB3 ALA 73 34.263 -1.504 17.794 515 H GLY 74 H GLY 74 35.416 -0.509 13.948 516 HA2 GLY 74 HA2 GLY 74 36.937 -1.608 12.525 517 HA3 GLY 74 HA3 GLY 74 36.150 -3.134 12.900 518 H GLY 75 H GLY 75 36.868 -1.638 10.333 519 HA2 GLY 75 HA2 GLY 75 34.402 -2.330 8.958 520 HA3 GLY 75 HA3 GLY 75 34.874 -0.640 8.856 521 H SER 76 H SER 76 34.612 -2.435 6.658 522 HA SER 76 HA SER 76 35.689 -3.047 4.750 523 HB2 SER 76 HB2 SER 76 36.520 -0.629 5.082 524 HB3 SER 76 HB3 SER 76 38.028 -1.363 5.627 525 HG SER 76 HG SER 76 37.564 -0.824 3.226 526 HA PRO 77 HA PRO 77 38.248 -6.083 7.197 527 HB2 PRO 77 HB2 PRO 77 36.839 -8.272 6.426 528 HB3 PRO 77 HB3 PRO 77 36.400 -7.293 7.830 529 HG2 PRO 77 HG2 PRO 77 35.261 -7.251 5.062 530 HG3 PRO 77 HG3 PRO 77 34.418 -7.177 6.620 531 HD2 PRO 77 HD2 PRO 77 34.895 -4.977 5.116 532 HD3 PRO 77 HD3 PRO 77 34.850 -4.929 6.890 533 H SER 78 H SER 78 39.845 -5.439 5.573 534 HA SER 78 HA SER 78 40.588 -7.585 3.899 535 HB2 SER 78 HB2 SER 78 40.387 -6.485 1.702 536 HB3 SER 78 HB3 SER 78 38.807 -6.726 2.447 537 HG SER 78 HG SER 78 40.310 -4.318 2.386 538 HA PRO 79 HA PRO 79 43.877 -4.588 5.235 539 HB2 PRO 79 HB2 PRO 79 45.470 -6.478 6.360 540 HB3 PRO 79 HB3 PRO 79 44.162 -5.677 7.239 541 HG2 PRO 79 HG2 PRO 79 44.191 -8.366 5.923 542 HG3 PRO 79 HG3 PRO 79 43.524 -7.898 7.498 543 HD2 PRO 79 HD2 PRO 79 41.978 -8.220 5.299 544 HD3 PRO 79 HD3 PRO 79 41.598 -7.039 6.568 545 HA PRO 80 HA PRO 80 46.658 -5.382 1.924 546 HB2 PRO 80 HB2 PRO 80 49.059 -4.665 2.969 547 HB3 PRO 80 HB3 PRO 80 47.805 -3.492 2.547 548 HG2 PRO 80 HG2 PRO 80 48.503 -4.638 5.223 549 HG3 PRO 80 HG3 PRO 80 48.117 -2.963 4.790 550 HD2 PRO 80 HD2 PRO 80 46.312 -4.623 5.937 551 HD3 PRO 80 HD3 PRO 80 45.845 -3.354 4.787 552 H ALA 81 H ALA 81 46.231 -7.750 2.179 553 HA ALA 81 HA ALA 81 46.946 -9.910 2.251 554 HB1 ALA 81 HB1 ALA 81 48.632 -9.326 0.729 555 HB2 ALA 81 HB2 ALA 81 49.556 -8.456 1.954 556 HB3 ALA 81 HB3 ALA 81 49.463 -10.217 2.005 557 H ASP 82 H ASP 82 46.520 -8.467 4.763 558 HA ASP 82 HA ASP 82 46.741 -8.791 7.004 559 HB2 ASP 82 HB2 ASP 82 48.026 -11.425 6.260 560 HB3 ASP 82 HB3 ASP 82 47.227 -11.021 7.777 561 H GLY 83 H GLY 83 48.849 -7.417 5.604 562 HA2 GLY 83 HA2 GLY 83 50.922 -7.687 7.639 563 HA3 GLY 83 HA3 GLY 83 51.426 -7.928 5.973 564 H GLY 84 H GLY 84 51.919 -6.192 4.760 565 HA2 GLY 84 HA2 GLY 84 50.986 -3.550 5.633 566 HA3 GLY 84 HA3 GLY 84 52.718 -3.823 5.510 567 H SER 85 H SER 85 51.873 -1.825 4.044 568 HA SER 85 HA SER 85 52.493 -2.584 1.391 569 HB2 SER 85 HB2 SER 85 49.628 -2.354 2.115 570 HB3 SER 85 HB3 SER 85 50.119 -1.543 0.628 571 HG SER 85 HG SER 85 50.546 -3.425 -0.280 572 HA PRO 86 HA PRO 86 53.178 1.841 2.658 573 HB2 PRO 86 HB2 PRO 86 55.827 1.851 2.065 574 HB3 PRO 86 HB3 PRO 86 55.196 1.342 3.636 575 HG2 PRO 86 HG2 PRO 86 56.058 -0.331 1.308 576 HG3 PRO 86 HG3 PRO 86 56.380 -0.567 3.035 577 HD2 PRO 86 HD2 PRO 86 54.455 -1.936 1.711 578 HD3 PRO 86 HD3 PRO 86 54.305 -1.493 3.424 579 HA PRO 87 HA PRO 87 53.094 3.521 -1.404 580 HB2 PRO 87 HB2 PRO 87 54.520 5.815 -1.135 581 HB3 PRO 87 HB3 PRO 87 52.906 5.602 -0.447 582 HG2 PRO 87 HG2 PRO 87 55.578 5.375 0.884 583 HG3 PRO 87 HG3 PRO 87 54.096 6.150 1.474 584 HD2 PRO 87 HD2 PRO 87 54.873 3.686 2.284 585 HD3 PRO 87 HD3 PRO 87 53.165 4.150 2.142 586 HA PRO 88 HA PRO 88 56.658 2.546 -3.787 587 HB2 PRO 88 HB2 PRO 88 56.589 4.408 -5.761 588 HB3 PRO 88 HB3 PRO 88 55.441 3.068 -5.664 589 HG2 PRO 88 HG2 PRO 88 55.103 5.918 -4.813 590 HG3 PRO 88 HG3 PRO 88 53.966 4.865 -5.676 591 HD2 PRO 88 HD2 PRO 88 53.771 5.352 -3.020 592 HD3 PRO 88 HD3 PRO 88 53.285 3.806 -3.746 593 HA PRO 89 HA PRO 89 60.183 4.961 -2.750 594 HB2 PRO 89 HB2 PRO 89 61.776 4.666 -4.929 595 HB3 PRO 89 HB3 PRO 89 61.475 3.361 -3.775 596 HG2 PRO 89 HG2 PRO 89 60.210 3.861 -6.442 597 HG3 PRO 89 HG3 PRO 89 60.776 2.334 -5.741 598 HD2 PRO 89 HD2 PRO 89 58.164 3.049 -5.761 599 HD3 PRO 89 HD3 PRO 89 58.877 2.073 -4.461 600 H ALA 90 H ALA 90 58.615 5.666 -5.804 601 HA ALA 90 HA ALA 90 58.898 8.485 -5.395 602 HB1 ALA 90 HB1 ALA 90 59.975 8.557 -7.857 603 HB2 ALA 90 HB2 ALA 90 60.928 8.610 -6.373 604 HB3 ALA 90 HB3 ALA 90 60.726 7.086 -7.238 605 H ASP 91 H ASP 91 58.684 6.604 -8.402 606 HA ASP 91 HA ASP 91 55.830 6.899 -8.567 607 HB2 ASP 91 HB2 ASP 91 57.464 8.978 -9.624 608 HB3 ASP 91 HB3 ASP 91 56.759 8.104 -10.981 609 H GLY 92 H GLY 92 55.030 6.109 -10.767 610 HA2 GLY 92 HA2 GLY 92 56.410 3.631 -11.334 611 HA3 GLY 92 HA3 GLY 92 54.862 4.140 -11.992 612 H GLY 93 H GLY 93 56.221 6.770 -12.753 613 HA2 GLY 93 HA2 GLY 93 58.185 7.021 -14.367 614 HA3 GLY 93 HA3 GLY 93 57.386 5.732 -15.256 615 H SER 94 H SER 94 57.601 7.532 -16.920 616 HA SER 94 HA SER 94 55.066 8.558 -17.505 617 HB2 SER 94 HB2 SER 94 56.804 10.322 -15.900 618 HB3 SER 94 HB3 SER 94 56.107 11.072 -17.336 619 HG SER 94 HG SER 94 54.806 11.187 -15.372 620 HA PRO 95 HA PRO 95 54.439 7.612 -19.048 621 HB2 PRO 95 HB2 PRO 95 54.904 5.608 -20.819 622 HB3 PRO 95 HB3 PRO 95 54.233 7.172 -21.294 623 HG2 PRO 95 HG2 PRO 95 57.051 6.182 -21.492 624 HG3 PRO 95 HG3 PRO 95 56.100 7.096 -22.678 625 HD2 PRO 95 HD2 PRO 95 57.942 8.265 -21.074 626 HD3 PRO 95 HD3 PRO 95 56.475 9.107 -21.615 627 HA PRO 96 HA PRO 96 55.919 4.524 -16.286 628 HB2 PRO 96 HB2 PRO 96 53.930 2.681 -16.415 629 HB3 PRO 96 HB3 PRO 96 53.741 4.243 -15.610 630 HG2 PRO 96 HG2 PRO 96 52.862 3.403 -18.346 631 HG3 PRO 96 HG3 PRO 96 51.988 4.357 -17.134 632 HD2 PRO 96 HD2 PRO 96 53.251 5.488 -19.245 633 HD3 PRO 96 HD3 PRO 96 53.108 6.299 -17.671 634 H VAL 97 H VAL 97 57.765 3.868 -17.522 635 HA VAL 97 HA VAL 97 57.472 1.703 -19.427 636 HB VAL 97 HB VAL 97 59.155 3.493 -19.774 637 HG11 VAL 97 HG11 VAL 97 60.790 2.213 -17.609 638 HG12 VAL 97 HG12 VAL 97 61.043 3.758 -18.422 639 HG13 VAL 97 HG13 VAL 97 59.717 3.572 -17.273 640 HG21 VAL 97 HG21 VAL 97 60.397 0.766 -19.430 641 HG22 VAL 97 HG22 VAL 97 59.374 1.236 -20.788 642 HG23 VAL 97 HG23 VAL 97 60.922 2.042 -20.530 643 H ASP 98 H ASP 98 58.256 -0.387 -19.172 644 HA ASP 98 HA ASP 98 58.683 -2.336 -18.081 645 HB2 ASP 98 HB2 ASP 98 60.535 -0.425 -17.052 646 HB3 ASP 98 HB3 ASP 98 60.017 -1.459 -15.723 647 H GLY 99 H GLY 99 58.577 -3.346 -15.702 648 HA2 GLY 99 HA2 GLY 99 55.876 -2.867 -14.843 649 HA3 GLY 99 HA3 GLY 99 56.987 -4.058 -14.182 650 H GLY 100 H GLY 100 57.265 -3.750 -12.079 651 HA2 GLY 100 HA2 GLY 100 57.264 -0.982 -11.062 652 HA3 GLY 100 HA3 GLY 100 56.848 -2.403 -10.115 653 H SER 101 H SER 101 59.197 -3.832 -11.384 654 HA SER 101 HA SER 101 61.367 -4.283 -10.874 655 HB2 SER 101 HB2 SER 101 61.250 -1.431 -11.252 656 HB3 SER 101 HB3 SER 101 62.423 -1.816 -9.993 657 HG SER 101 HG SER 101 62.641 -2.127 -12.647 658 HA PRO 102 HA PRO 102 61.667 -4.922 -6.545 659 HB2 PRO 102 HB2 PRO 102 64.351 -5.014 -6.149 660 HB3 PRO 102 HB3 PRO 102 63.457 -6.300 -6.968 661 HG2 PRO 102 HG2 PRO 102 65.065 -4.066 -8.145 662 HG3 PRO 102 HG3 PRO 102 65.011 -5.775 -8.615 663 HD2 PRO 102 HD2 PRO 102 63.663 -3.850 -9.960 664 HD3 PRO 102 HD3 PRO 102 63.060 -5.513 -9.814 665 HA PRO 103 HA PRO 103 63.181 -5.226 -4.542 666 HB2 PRO 103 HB2 PRO 103 62.169 -4.673 -2.085 667 HB3 PRO 103 HB3 PRO 103 63.853 -4.363 -2.522 668 HG2 PRO 103 HG2 PRO 103 61.543 -2.462 -2.417 669 HG3 PRO 103 HG3 PRO 103 63.209 -2.231 -1.855 670 HD2 PRO 103 HD2 PRO 103 62.314 -1.235 -4.208 671 HD3 PRO 103 HD3 PRO 103 63.992 -1.764 -3.972 672 HA PRO 104 HA PRO 104 59.075 -6.733 -4.996 673 HB2 PRO 104 HB2 PRO 104 58.944 -8.696 -3.125 674 HB3 PRO 104 HB3 PRO 104 59.897 -8.843 -4.607 675 HG2 PRO 104 HG2 PRO 104 60.793 -8.126 -1.842 676 HG3 PRO 104 HG3 PRO 104 61.557 -9.209 -3.020 677 HD2 PRO 104 HD2 PRO 104 62.407 -6.671 -2.610 678 HD3 PRO 104 HD3 PRO 104 62.508 -7.468 -4.193 679 HA PRO 105 HA PRO 105 56.225 -4.960 -2.154 680 HB2 PRO 105 HB2 PRO 105 54.159 -6.720 -2.198 681 HB3 PRO 105 HB3 PRO 105 54.536 -5.648 -3.552 682 HG2 PRO 105 HG2 PRO 105 55.223 -8.537 -3.176 683 HG3 PRO 105 HG3 PRO 105 54.632 -7.707 -4.627 684 HD2 PRO 105 HD2 PRO 105 57.244 -8.324 -4.263 685 HD3 PRO 105 HD3 PRO 105 56.719 -6.884 -5.159 686 H SER 106 H SER 106 54.543 -5.822 -0.336 687 HA SER 106 HA SER 106 56.260 -7.068 1.658 688 HB2 SER 106 HB2 SER 106 55.176 -5.072 2.405 689 HB3 SER 106 HB3 SER 106 53.604 -5.637 1.838 690 HG SER 106 HG SER 106 53.532 -7.098 3.481 691 H THR 107 H THR 107 53.424 -7.758 -0.224 692 HA THR 107 HA THR 107 52.290 -9.821 1.279 693 HB THR 107 HB THR 107 51.163 -10.525 -0.710 694 HG1 THR 107 HG1 THR 107 52.898 -8.907 -2.271 695 HG21 THR 107 HG21 THR 107 50.102 -8.536 -1.360 696 HG22 THR 107 HG22 THR 107 51.572 -7.582 -1.159 697 HG23 THR 107 HG23 THR 107 50.714 -8.190 0.257 698 H HIS 108 H HIS 108 54.830 -9.921 -1.194 699 HA HIS 108 HA HIS 108 56.294 -11.552 -1.820 700 HB2 HIS 108 HB2 HIS 108 56.409 -11.276 0.968 701 HB3 HIS 108 HB3 HIS 108 56.409 -13.012 0.675 702 HD1 HIS 108 HD1 HIS 108 58.375 -13.922 -0.877 703 HD2 HIS 108 HD2 HIS 108 58.781 -10.003 0.443 704 HE1 HIS 108 HE1 HIS 108 60.790 -13.331 -1.257 Start of MODEL 15 1 H1 ALA 1 H ALA 1 2.738 2.372 4.902 2 HA ALA 1 HA ALA 1 4.000 0.576 4.041 3 HB1 ALA 1 HB1 ALA 1 1.756 -0.602 3.620 4 HB2 ALA 1 HB2 ALA 1 1.873 0.065 1.991 5 HB3 ALA 1 HB3 ALA 1 3.125 -1.024 2.591 6 H GLY 2 H GLY 2 5.010 0.201 1.782 7 HA2 GLY 2 HA2 GLY 2 5.734 1.042 -0.276 8 HA3 GLY 2 HA3 GLY 2 4.718 2.455 -0.031 9 H SER 3 H SER 3 6.995 1.292 2.361 10 HA SER 3 HA SER 3 9.210 2.856 1.651 11 HB2 SER 3 HB2 SER 3 7.051 4.327 2.891 12 HB3 SER 3 HB3 SER 3 8.491 4.366 3.907 13 HG SER 3 HG SER 3 8.446 6.060 2.345 14 H LYS 4 H LYS 4 10.536 1.313 2.417 15 HA LYS 4 HA LYS 4 10.896 1.101 5.256 16 HB2 LYS 4 HB2 LYS 4 9.085 -0.672 4.239 17 HB3 LYS 4 HB3 LYS 4 10.578 -1.592 4.107 18 HG2 LYS 4 HG2 LYS 4 10.628 -0.460 6.660 19 HG3 LYS 4 HG3 LYS 4 8.974 -1.030 6.422 20 HD2 LYS 4 HD2 LYS 4 11.469 -2.676 5.998 21 HD3 LYS 4 HD3 LYS 4 10.423 -2.754 7.417 22 HE2 LYS 4 HE2 LYS 4 8.755 -3.039 5.167 23 HE3 LYS 4 HE3 LYS 4 10.154 -4.075 4.888 24 HZ1 LYS 4 HZ1 LYS 4 8.864 -5.483 6.088 25 HZ2 LYS 4 HZ2 LYS 4 8.094 -4.250 6.953 26 HZ3 LYS 4 HZ3 LYS 4 9.661 -4.728 7.375 27 H LEU 5 H LEU 5 12.476 -1.111 5.432 28 HA LEU 5 HA LEU 5 14.519 -0.804 3.347 29 HB2 LEU 5 HB2 LEU 5 14.722 0.289 5.899 30 HB3 LEU 5 HB3 LEU 5 15.690 -1.182 5.964 31 HG LEU 5 HG LEU 5 16.712 -0.186 3.738 32 HD11 LEU 5 HD11 LEU 5 15.411 1.738 3.440 33 HD12 LEU 5 HD12 LEU 5 16.932 2.326 4.111 34 HD13 LEU 5 HD13 LEU 5 15.511 2.177 5.145 35 HD21 LEU 5 HD21 LEU 5 18.484 0.808 5.079 36 HD22 LEU 5 HD22 LEU 5 17.942 -0.714 5.787 37 HD23 LEU 5 HD23 LEU 5 17.426 0.820 6.491 38 H CYS 6 H CYS 6 15.730 -2.624 2.913 39 HA CYS 6 HA CYS 6 14.958 -5.064 4.375 40 HB2 CYS 6 HB2 CYS 6 15.494 -4.716 1.420 41 HB3 CYS 6 HB3 CYS 6 15.303 -6.278 2.211 42 H GLU 7 H GLU 7 16.550 -6.667 4.649 43 HA GLU 7 HA GLU 7 19.296 -5.937 3.936 44 HB2 GLU 7 HB2 GLU 7 20.111 -6.384 6.174 45 HB3 GLU 7 HB3 GLU 7 18.886 -5.125 6.234 46 HG2 GLU 7 HG2 GLU 7 17.260 -6.640 7.088 47 HG3 GLU 7 HG3 GLU 7 18.323 -8.019 6.815 48 H LYS 8 H LYS 8 20.599 -7.636 3.450 49 HA LYS 8 HA LYS 8 19.346 -10.294 3.516 50 HB2 LYS 8 HB2 LYS 8 21.610 -9.262 1.798 51 HB3 LYS 8 HB3 LYS 8 20.935 -10.884 1.722 52 HG2 LYS 8 HG2 LYS 8 19.170 -8.507 1.325 53 HG3 LYS 8 HG3 LYS 8 20.183 -9.099 0.006 54 HD2 LYS 8 HD2 LYS 8 18.270 -10.303 -0.376 55 HD3 LYS 8 HD3 LYS 8 19.133 -11.417 0.687 56 HE2 LYS 8 HE2 LYS 8 17.383 -11.381 2.055 57 HE3 LYS 8 HE3 LYS 8 17.717 -9.679 2.372 58 HZ1 LYS 8 HZ1 LYS 8 16.271 -9.055 0.584 59 HZ2 LYS 8 HZ2 LYS 8 15.428 -10.099 1.614 60 HZ3 LYS 8 HZ3 LYS 8 16.029 -10.670 0.139 61 H THR 9 H THR 9 20.667 -12.143 4.007 62 HA THR 9 HA THR 9 22.938 -11.495 5.773 63 HB THR 9 HB THR 9 21.438 -14.035 6.174 64 HG1 THR 9 HG1 THR 9 19.836 -12.320 6.001 65 HG21 THR 9 HG21 THR 9 22.194 -12.249 8.402 66 HG22 THR 9 HG22 THR 9 23.526 -12.896 7.444 67 HG23 THR 9 HG23 THR 9 22.390 -13.993 8.229 68 H SER 10 H SER 10 23.530 -11.836 3.167 69 HA SER 10 HA SER 10 24.683 -13.085 1.640 70 HB2 SER 10 HB2 SER 10 26.466 -12.856 3.220 71 HB3 SER 10 HB3 SER 10 25.796 -14.119 4.253 72 HG SER 10 HG SER 10 26.309 -15.633 2.686 73 H LYS 11 H LYS 11 22.907 -14.203 0.762 74 HA LYS 11 HA LYS 11 22.647 -16.996 1.668 75 HB2 LYS 11 HB2 LYS 11 20.652 -14.979 0.918 76 HB3 LYS 11 HB3 LYS 11 20.418 -16.535 0.132 77 HG2 LYS 11 HG2 LYS 11 19.168 -16.278 2.255 78 HG3 LYS 11 HG3 LYS 11 20.274 -17.654 2.240 79 HD2 LYS 11 HD2 LYS 11 21.609 -15.295 3.210 80 HD3 LYS 11 HD3 LYS 11 20.136 -15.596 4.136 81 HE2 LYS 11 HE2 LYS 11 22.273 -17.653 3.589 82 HE3 LYS 11 HE3 LYS 11 22.150 -16.708 5.072 83 HZ1 LYS 11 HZ1 LYS 11 20.333 -17.859 5.766 84 HZ2 LYS 11 HZ2 LYS 11 21.082 -19.081 4.869 85 HZ3 LYS 11 HZ3 LYS 11 19.794 -18.210 4.202 86 H THR 12 H THR 12 24.309 -15.417 -0.469 87 HA THR 12 HA THR 12 24.322 -17.565 -2.379 88 HB THR 12 HB THR 12 22.455 -16.074 -3.188 89 HG1 THR 12 HG1 THR 12 23.062 -16.439 -5.256 90 HG21 THR 12 HG21 THR 12 22.787 -13.907 -3.826 91 HG22 THR 12 HG22 THR 12 24.485 -14.169 -4.223 92 HG23 THR 12 HG23 THR 12 23.989 -13.996 -2.540 93 H TYR 13 H TYR 13 26.081 -16.009 -0.498 94 HA TYR 13 HA TYR 13 28.072 -14.946 -2.366 95 HB2 TYR 13 HB2 TYR 13 27.523 -13.519 -0.466 96 HB3 TYR 13 HB3 TYR 13 27.926 -14.816 0.654 97 HD1 TYR 13 HD1 TYR 13 29.282 -12.312 -1.663 98 HD2 TYR 13 HD2 TYR 13 30.226 -15.359 1.153 99 HE1 TYR 13 HE1 TYR 13 31.609 -11.518 -1.592 100 HE2 TYR 13 HE2 TYR 13 32.555 -14.572 1.233 101 HH TYR 13 HH TYR 13 33.628 -11.806 -0.724 102 H SER 14 H SER 14 28.449 -16.680 0.712 103 HA SER 14 HA SER 14 29.860 -18.353 1.342 104 HB2 SER 14 HB2 SER 14 28.225 -19.495 -0.321 105 HB3 SER 14 HB3 SER 14 29.601 -19.505 -1.424 106 HG SER 14 HG SER 14 29.136 -21.331 0.254 107 H GLY 15 H GLY 15 31.844 -19.766 0.352 108 HA2 GLY 15 HA2 GLY 15 34.000 -19.733 -0.453 109 HA3 GLY 15 HA3 GLY 15 33.524 -18.405 -1.502 110 H LYS 16 H LYS 16 35.938 -18.079 -0.702 111 HA LYS 16 HA LYS 16 36.564 -17.129 1.807 112 HB2 LYS 16 HB2 LYS 16 38.365 -15.839 0.709 113 HB3 LYS 16 HB3 LYS 16 38.263 -17.492 0.117 114 HG2 LYS 16 HG2 LYS 16 36.691 -16.270 -1.682 115 HG3 LYS 16 HG3 LYS 16 37.783 -14.943 -1.279 116 HD2 LYS 16 HD2 LYS 16 38.995 -17.601 -1.795 117 HD3 LYS 16 HD3 LYS 16 38.337 -16.726 -3.180 118 HE2 LYS 16 HE2 LYS 16 40.147 -15.443 -3.240 119 HE3 LYS 16 HE3 LYS 16 39.826 -14.896 -1.595 120 HZ1 LYS 16 HZ1 LYS 16 41.017 -17.524 -1.796 121 HZ2 LYS 16 HZ2 LYS 16 41.390 -16.243 -0.757 122 HZ3 LYS 16 HZ3 LYS 16 42.007 -16.261 -2.332 123 H CYS 17 H CYS 17 35.821 -15.502 2.985 124 HA CYS 17 HA CYS 17 34.112 -13.496 1.828 125 HB2 CYS 17 HB2 CYS 17 34.018 -14.650 4.200 126 HB3 CYS 17 HB3 CYS 17 35.099 -13.334 4.646 127 H ASP 18 H ASP 18 34.431 -11.203 2.065 128 HA ASP 18 HA ASP 18 37.042 -10.185 2.711 129 HB2 ASP 18 HB2 ASP 18 36.749 -11.079 0.125 130 HB3 ASP 18 HB3 ASP 18 36.363 -9.367 -0.021 131 H ASN 19 H ASN 19 36.956 -7.744 1.480 132 HA ASN 19 HA ASN 19 34.681 -6.517 2.836 133 HB2 ASN 19 HB2 ASN 19 36.069 -4.383 2.133 134 HB3 ASN 19 HB3 ASN 19 36.567 -5.370 3.504 135 HD21 ASN 19 HD22 ASN 19 38.407 -6.606 3.364 136 HD22 ASN 19 HD21 ASN 19 39.547 -6.445 2.076 137 H LYS 20 H LYS 20 36.425 -5.776 -0.185 138 HA LYS 20 HA LYS 20 34.192 -4.486 -1.365 139 HB2 LYS 20 HB2 LYS 20 36.762 -4.325 -1.892 140 HB3 LYS 20 HB3 LYS 20 36.413 -5.635 -3.012 141 HG2 LYS 20 HG2 LYS 20 34.442 -3.647 -3.401 142 HG3 LYS 20 HG3 LYS 20 36.012 -2.841 -3.347 143 HD2 LYS 20 HD2 LYS 20 35.944 -5.319 -4.926 144 HD3 LYS 20 HD3 LYS 20 34.950 -4.006 -5.560 145 HE2 LYS 20 HE2 LYS 20 37.006 -3.642 -6.574 146 HE3 LYS 20 HE3 LYS 20 37.047 -2.547 -5.194 147 HZ1 LYS 20 HZ1 LYS 20 38.610 -4.945 -5.707 148 HZ2 LYS 20 HZ2 LYS 20 38.113 -4.714 -4.107 149 HZ3 LYS 20 HZ3 LYS 20 39.036 -3.529 -4.884 150 H LYS 21 H LYS 21 35.525 -7.742 -1.609 151 HA LYS 21 HA LYS 21 33.972 -8.668 -3.747 152 HB2 LYS 21 HB2 LYS 21 35.139 -10.139 -1.381 153 HB3 LYS 21 HB3 LYS 21 34.393 -10.942 -2.756 154 HG2 LYS 21 HG2 LYS 21 36.849 -9.203 -2.803 155 HG3 LYS 21 HG3 LYS 21 36.784 -10.955 -3.007 156 HD2 LYS 21 HD2 LYS 21 36.802 -10.419 -5.203 157 HD3 LYS 21 HD3 LYS 21 35.071 -10.194 -4.941 158 HE2 LYS 21 HE2 LYS 21 35.274 -8.073 -5.562 159 HE3 LYS 21 HE3 LYS 21 36.344 -7.788 -4.191 160 HZ1 LYS 21 HZ1 LYS 21 37.964 -8.987 -5.997 161 HZ2 LYS 21 HZ2 LYS 21 37.864 -7.320 -5.733 162 HZ3 LYS 21 HZ3 LYS 21 36.974 -8.033 -6.983 163 H CYS 22 H CYS 22 33.237 -8.271 -0.353 164 HA CYS 22 HA CYS 22 30.796 -9.789 -0.459 165 HB2 CYS 22 HB2 CYS 22 32.042 -9.627 1.634 166 HB3 CYS 22 HB3 CYS 22 31.856 -7.876 1.631 167 H ASP 23 H ASP 23 31.462 -6.331 0.124 168 HA ASP 23 HA ASP 23 28.861 -5.408 -0.078 169 HB2 ASP 23 HB2 ASP 23 31.164 -4.204 0.477 170 HB3 ASP 23 HB3 ASP 23 31.043 -3.721 -1.212 171 H LYS 24 H LYS 24 31.201 -6.070 -2.624 172 HA LYS 24 HA LYS 24 29.750 -4.922 -4.756 173 HB2 LYS 24 HB2 LYS 24 32.071 -5.395 -5.072 174 HB3 LYS 24 HB3 LYS 24 31.845 -7.092 -4.670 175 HG2 LYS 24 HG2 LYS 24 30.585 -7.439 -6.708 176 HG3 LYS 24 HG3 LYS 24 30.708 -5.723 -7.100 177 HD2 LYS 24 HD2 LYS 24 33.132 -5.918 -7.259 178 HD3 LYS 24 HD3 LYS 24 33.035 -7.624 -6.815 179 HE2 LYS 24 HE2 LYS 24 33.265 -7.541 -9.175 180 HE3 LYS 24 HE3 LYS 24 31.585 -7.958 -8.842 181 HZ1 LYS 24 HZ1 LYS 24 32.130 -5.125 -9.103 182 HZ2 LYS 24 HZ2 LYS 24 30.847 -6.042 -9.715 183 HZ3 LYS 24 HZ3 LYS 24 32.335 -6.026 -10.520 184 H LYS 25 H LYS 25 29.959 -8.279 -3.595 185 HA LYS 25 HA LYS 25 28.199 -9.404 -5.460 186 HB2 LYS 25 HB2 LYS 25 29.746 -10.388 -3.456 187 HB3 LYS 25 HB3 LYS 25 28.148 -10.551 -2.739 188 HG2 LYS 25 HG2 LYS 25 28.668 -11.551 -5.507 189 HG3 LYS 25 HG3 LYS 25 29.136 -12.510 -4.101 190 HD2 LYS 25 HD2 LYS 25 26.358 -11.430 -4.555 191 HD3 LYS 25 HD3 LYS 25 26.874 -13.050 -5.027 192 HE2 LYS 25 HE2 LYS 25 26.119 -13.615 -2.983 193 HE3 LYS 25 HE3 LYS 25 27.684 -13.002 -2.449 194 HZ1 LYS 25 HZ1 LYS 25 25.650 -10.976 -2.709 195 HZ2 LYS 25 HZ2 LYS 25 26.740 -11.259 -1.447 196 HZ3 LYS 25 HZ3 LYS 25 25.301 -12.144 -1.536 197 H CYS 26 H CYS 26 27.617 -7.546 -2.587 198 HA CYS 26 HA CYS 26 24.937 -8.311 -2.120 199 HB2 CYS 26 HB2 CYS 26 26.467 -5.800 -1.429 200 HB3 CYS 26 HB3 CYS 26 24.813 -6.097 -0.901 201 H ILE 27 H ILE 27 26.282 -5.457 -3.778 202 HA ILE 27 HA ILE 27 23.695 -4.674 -4.767 203 HB ILE 27 HB ILE 27 26.364 -3.611 -5.678 204 HG12 ILE 27 HG12 ILE 27 25.130 -1.894 -3.768 205 HG13 ILE 27 HG13 ILE 27 25.224 -3.505 -3.064 206 HG21 ILE 27 HG21 ILE 27 24.797 -1.510 -5.815 207 HG22 ILE 27 HG22 ILE 27 24.818 -2.708 -7.108 208 HG23 ILE 27 HG23 ILE 27 23.528 -2.732 -5.906 209 HD11 ILE 27 HD11 ILE 27 27.360 -1.597 -3.730 210 HD12 ILE 27 HD12 ILE 27 27.258 -2.791 -2.435 211 HD13 ILE 27 HD13 ILE 27 27.704 -3.294 -4.066 212 H GLU 28 H GLU 28 26.154 -6.795 -5.787 213 HA GLU 28 HA GLU 28 25.548 -6.609 -8.610 214 HB2 GLU 28 HB2 GLU 28 27.418 -8.244 -6.940 215 HB3 GLU 28 HB3 GLU 28 27.035 -8.775 -8.571 216 HG2 GLU 28 HG2 GLU 28 27.739 -5.960 -8.445 217 HG3 GLU 28 HG3 GLU 28 29.021 -7.017 -7.856 218 H TRP 29 H TRP 29 24.987 -8.899 -5.965 219 HA TRP 29 HA TRP 29 23.187 -10.426 -7.712 220 HB2 TRP 29 HB2 TRP 29 24.511 -11.119 -5.087 221 HB3 TRP 29 HB3 TRP 29 23.281 -12.128 -5.843 222 HD1 TRP 29 HD1 TRP 29 26.375 -10.416 -7.452 223 HE1 TRP 29 HE1 TRP 29 27.739 -12.233 -8.662 224 HE3 TRP 29 HE3 TRP 29 23.588 -14.508 -6.176 225 HZ2 TRP 29 HZ2 TRP 29 27.645 -15.031 -9.028 226 HZ3 TRP 29 HZ3 TRP 29 24.292 -16.718 -6.998 227 HH2 TRP 29 HH2 TRP 29 26.279 -16.971 -8.395 228 H GLU 30 H GLU 30 23.331 -9.113 -4.402 229 HA GLU 30 HA GLU 30 20.464 -9.378 -4.101 230 HB2 GLU 30 HB2 GLU 30 22.486 -8.098 -2.252 231 HB3 GLU 30 HB3 GLU 30 20.820 -8.495 -1.853 232 HG2 GLU 30 HG2 GLU 30 22.540 -10.698 -2.821 233 HG3 GLU 30 HG3 GLU 30 22.865 -10.060 -1.211 234 H LYS 31 H LYS 31 22.354 -7.239 -5.683 235 HA LYS 31 HA LYS 31 22.220 -5.025 -6.261 236 HB2 LYS 31 HB2 LYS 31 19.249 -5.516 -6.066 237 HB3 LYS 31 HB3 LYS 31 20.083 -4.393 -7.132 238 HG2 LYS 31 HG2 LYS 31 20.086 -7.397 -7.275 239 HG3 LYS 31 HG3 LYS 31 19.384 -6.261 -8.429 240 HD2 LYS 31 HD2 LYS 31 22.319 -6.591 -7.805 241 HD3 LYS 31 HD3 LYS 31 21.493 -7.140 -9.266 242 HE2 LYS 31 HE2 LYS 31 20.802 -4.646 -9.494 243 HE3 LYS 31 HE3 LYS 31 22.139 -4.354 -8.383 244 HZ1 LYS 31 HZ1 LYS 31 22.194 -5.049 -11.171 245 HZ2 LYS 31 HZ2 LYS 31 23.228 -6.002 -10.231 246 HZ3 LYS 31 HZ3 LYS 31 23.384 -4.318 -10.216 247 H ALA 32 H ALA 32 22.435 -5.448 -3.429 248 HA ALA 32 HA ALA 32 20.618 -3.663 -2.100 249 HB1 ALA 32 HB1 ALA 32 21.869 -4.111 -0.119 250 HB2 ALA 32 HB2 ALA 32 21.713 -5.628 -1.007 251 HB3 ALA 32 HB3 ALA 32 23.231 -4.732 -1.052 252 H GLN 33 H GLN 33 22.258 -2.219 -0.414 253 HA GLN 33 HA GLN 33 23.440 -0.282 -2.285 254 HB2 GLN 33 HB2 GLN 33 22.256 0.089 0.467 255 HB3 GLN 33 HB3 GLN 33 23.108 1.356 -0.405 256 HG2 GLN 33 HG2 GLN 33 21.010 0.124 -1.991 257 HG3 GLN 33 HG3 GLN 33 20.409 0.843 -0.497 258 HE21 GLN 33 HE22 GLN 33 20.790 1.460 -3.621 259 HE22 GLN 33 HE21 GLN 33 21.051 3.167 -3.589 260 H HIS 34 H HIS 34 23.909 -1.726 0.928 261 HA HIS 34 HA HIS 34 26.792 -1.595 0.527 262 HB2 HIS 34 HB2 HIS 34 26.889 -0.787 3.030 263 HB3 HIS 34 HB3 HIS 34 26.714 0.379 1.721 264 HD1 HIS 34 HD1 HIS 34 24.244 1.315 1.337 265 HD2 HIS 34 HD2 HIS 34 24.852 -0.798 4.862 266 HE1 HIS 34 HE1 HIS 34 22.290 1.891 2.811 267 H GLY 35 H GLY 35 27.988 -3.003 1.929 268 HA2 GLY 35 HA2 GLY 35 26.430 -4.849 3.576 269 HA3 GLY 35 HA3 GLY 35 27.285 -5.532 2.201 270 H ALA 36 H ALA 36 27.908 -6.530 4.598 271 HA ALA 36 HA ALA 36 30.662 -5.651 4.930 272 HB1 ALA 36 HB1 ALA 36 30.199 -4.468 6.765 273 HB2 ALA 36 HB2 ALA 36 28.573 -5.140 6.893 274 HB3 ALA 36 HB3 ALA 36 29.948 -6.024 7.557 275 H CYS 37 H CYS 37 31.916 -7.182 6.297 276 HA CYS 37 HA CYS 37 30.792 -9.903 6.140 277 HB2 CYS 37 HB2 CYS 37 32.527 -9.550 4.437 278 HB3 CYS 37 HB3 CYS 37 33.661 -9.054 5.689 279 H HIS 38 H HIS 38 31.169 -11.291 7.834 280 HA HIS 38 HA HIS 38 32.804 -10.362 10.071 281 HB2 HIS 38 HB2 HIS 38 30.332 -9.669 10.328 282 HB3 HIS 38 HB3 HIS 38 30.021 -11.382 10.592 283 HD1 HIS 38 HD1 HIS 38 29.505 -11.419 13.037 284 HD2 HIS 38 HD2 HIS 38 33.006 -9.350 12.189 285 HE1 HIS 38 HE1 HIS 38 30.536 -10.899 15.271 286 H LYS 39 H LYS 39 33.251 -12.054 11.647 287 HA LYS 39 HA LYS 39 32.887 -14.770 10.573 288 HB2 LYS 39 HB2 LYS 39 35.156 -15.342 11.191 289 HB3 LYS 39 HB3 LYS 39 35.178 -13.950 10.117 290 HG2 LYS 39 HG2 LYS 39 36.591 -13.104 11.633 291 HG3 LYS 39 HG3 LYS 39 35.117 -12.724 12.528 292 HD2 LYS 39 HD2 LYS 39 35.715 -14.092 14.177 293 HD3 LYS 39 HD3 LYS 39 35.898 -15.435 13.047 294 HE2 LYS 39 HE2 LYS 39 38.142 -14.033 12.510 295 HE3 LYS 39 HE3 LYS 39 37.927 -13.644 14.216 296 HZ1 LYS 39 HZ1 LYS 39 37.631 -16.164 14.483 297 HZ2 LYS 39 HZ2 LYS 39 39.195 -15.560 14.257 298 HZ3 LYS 39 HZ3 LYS 39 38.371 -16.277 12.965 299 H ARG 40 H ARG 40 32.177 -16.239 11.996 300 HA ARG 40 HA ARG 40 32.757 -16.178 14.773 301 HB2 ARG 40 HB2 ARG 40 30.722 -14.451 14.074 302 HB3 ARG 40 HB3 ARG 40 29.853 -15.904 14.551 303 HG2 ARG 40 HG2 ARG 40 30.016 -15.106 16.624 304 HG3 ARG 40 HG3 ARG 40 31.696 -15.642 16.555 305 HD2 ARG 40 HD2 ARG 40 32.490 -13.506 16.098 306 HD3 ARG 40 HD3 ARG 40 30.919 -12.941 15.529 307 HE ARG 40 HE ARG 40 31.863 -13.003 18.248 308 HH11 ARG 40 HH12 ARG 40 29.070 -12.918 16.172 309 HH12 ARG 40 HH11 ARG 40 28.035 -12.222 17.375 310 HH21 ARG 40 HH22 ARG 40 30.511 -12.086 19.840 311 HH22 ARG 40 HH21 ARG 40 28.856 -11.748 19.461 312 H GLU 41 H GLU 41 30.567 -17.569 15.767 313 HA GLU 41 HA GLU 41 30.054 -19.793 16.039 314 HB2 GLU 41 HB2 GLU 41 28.745 -20.673 14.037 315 HB3 GLU 41 HB3 GLU 41 28.163 -19.186 14.771 316 HG2 GLU 41 HG2 GLU 41 29.228 -17.884 13.013 317 HG3 GLU 41 HG3 GLU 41 29.848 -19.364 12.283 318 H ALA 42 H ALA 42 32.136 -20.680 16.263 319 HA ALA 42 HA ALA 42 33.735 -22.242 15.811 320 HB1 ALA 42 HB1 ALA 42 31.590 -22.898 14.008 321 HB2 ALA 42 HB2 ALA 42 33.155 -23.246 13.270 322 HB3 ALA 42 HB3 ALA 42 32.735 -23.962 14.826 323 H GLY 43 H GLY 43 32.965 -21.152 12.506 324 HA2 GLY 43 HA2 GLY 43 35.105 -19.327 12.288 325 HA3 GLY 43 HA3 GLY 43 35.628 -20.896 11.692 326 H LYS 44 H LYS 44 32.399 -19.489 11.430 327 HA LYS 44 HA LYS 44 32.636 -19.697 8.511 328 HB2 LYS 44 HB2 LYS 44 30.010 -19.156 9.788 329 HB3 LYS 44 HB3 LYS 44 30.402 -20.177 8.411 330 HG2 LYS 44 HG2 LYS 44 30.909 -20.848 11.303 331 HG3 LYS 44 HG3 LYS 44 29.608 -21.491 10.298 332 HD2 LYS 44 HD2 LYS 44 31.011 -22.851 9.113 333 HD3 LYS 44 HD3 LYS 44 32.397 -21.776 9.312 334 HE2 LYS 44 HE2 LYS 44 31.890 -22.552 11.885 335 HE3 LYS 44 HE3 LYS 44 31.482 -24.006 10.974 336 HZ1 LYS 44 HZ1 LYS 44 34.070 -22.576 11.070 337 HZ2 LYS 44 HZ2 LYS 44 33.709 -23.685 9.846 338 HZ3 LYS 44 HZ3 LYS 44 33.748 -24.190 11.460 339 H GLU 45 H GLU 45 32.185 -17.986 7.164 340 HA GLU 45 HA GLU 45 32.212 -15.354 8.445 341 HB2 GLU 45 HB2 GLU 45 33.085 -16.411 5.801 342 HB3 GLU 45 HB3 GLU 45 32.573 -14.732 5.883 343 HG2 GLU 45 HG2 GLU 45 34.638 -14.241 6.506 344 HG3 GLU 45 HG3 GLU 45 34.273 -15.017 8.046 345 H SER 46 H SER 46 30.479 -14.084 8.470 346 HA SER 46 HA SER 46 28.234 -14.761 6.684 347 HB2 SER 46 HB2 SER 46 27.232 -13.218 8.804 348 HB3 SER 46 HB3 SER 46 27.011 -14.950 8.554 349 HG SER 46 HG SER 46 27.921 -14.701 10.553 350 H CYS 47 H CYS 47 27.581 -13.258 5.291 351 HA CYS 47 HA CYS 47 28.591 -10.513 5.641 352 HB2 CYS 47 HB2 CYS 47 28.487 -12.311 3.344 353 HB3 CYS 47 HB3 CYS 47 27.782 -10.735 2.999 354 H PHE 48 H PHE 48 27.168 -8.924 5.913 355 HA PHE 48 HA PHE 48 24.339 -9.473 5.296 356 HB2 PHE 48 HB2 PHE 48 24.072 -7.564 7.126 357 HB3 PHE 48 HB3 PHE 48 24.238 -9.257 7.578 358 HD1 PHE 48 HD1 PHE 48 26.346 -10.100 8.486 359 HD2 PHE 48 HD2 PHE 48 25.796 -5.976 7.588 360 HE1 PHE 48 HE1 PHE 48 28.319 -9.544 9.846 361 HE2 PHE 48 HE2 PHE 48 27.769 -5.414 8.946 362 HZ PHE 48 HZ PHE 48 29.034 -7.199 10.077 363 H CYS 49 H CYS 49 23.179 -7.964 4.189 364 HA CYS 49 HA CYS 49 24.586 -5.500 3.401 365 HB2 CYS 49 HB2 CYS 49 22.706 -6.907 1.531 366 HB3 CYS 49 HB3 CYS 49 23.974 -5.745 1.158 367 H TYR 50 H TYR 50 23.216 -3.713 2.823 368 HA TYR 50 HA TYR 50 20.429 -3.924 3.708 369 HB2 TYR 50 HB2 TYR 50 22.151 -1.607 4.565 370 HB3 TYR 50 HB3 TYR 50 20.564 -2.072 5.169 371 HD1 TYR 50 HD2 TYR 50 24.156 -2.882 5.233 372 HD2 TYR 50 HD1 TYR 50 20.327 -3.729 6.883 373 HE1 TYR 50 HE2 TYR 50 25.226 -4.142 7.054 374 HE2 TYR 50 HE1 TYR 50 21.386 -4.990 8.710 375 HH TYR 50 HH TYR 50 23.706 -4.969 9.856 376 H PHE 51 H PHE 51 19.018 -2.756 2.524 377 HA PHE 51 HA PHE 51 19.948 -0.572 0.850 378 HB2 PHE 51 HB2 PHE 51 18.914 -1.571 -1.194 379 HB3 PHE 51 HB3 PHE 51 20.336 -2.440 -0.626 380 HD1 PHE 51 HD2 PHE 51 20.001 -4.554 0.710 381 HD2 PHE 51 HD1 PHE 51 16.856 -2.651 -1.437 382 HE1 PHE 51 HE2 PHE 51 18.703 -6.644 0.766 383 HE2 PHE 51 HE1 PHE 51 15.553 -4.737 -1.383 384 HZ PHE 51 HZ PHE 51 16.476 -6.737 -0.282 385 H ASP 52 H ASP 52 18.223 0.699 -0.037 386 HA ASP 52 HA ASP 52 16.013 0.951 1.725 387 HB2 ASP 52 HB2 ASP 52 15.228 2.627 -0.061 388 HB3 ASP 52 HB3 ASP 52 16.750 2.963 0.759 389 H CYS 53 H CYS 53 14.008 0.147 1.623 390 HA CYS 53 HA CYS 53 13.273 -1.384 -0.785 391 HB2 CYS 53 HB2 CYS 53 13.268 -2.087 2.007 392 HB3 CYS 53 HB3 CYS 53 11.630 -2.180 1.367 393 H SER 54 H SER 54 11.088 -1.333 -1.478 394 HA SER 54 HA SER 54 9.257 -0.148 -2.162 395 HB2 SER 54 HB2 SER 54 8.970 0.257 0.825 396 HB3 SER 54 HB3 SER 54 7.680 0.400 -0.368 397 HG SER 54 HG SER 54 9.014 -1.896 0.551 398 H LYS 55 H LYS 55 11.571 1.371 -2.345 399 HA LYS 55 HA LYS 55 12.223 3.514 -2.747 400 HB2 LYS 55 HB2 LYS 55 9.692 3.601 -3.427 401 HB3 LYS 55 HB3 LYS 55 9.526 4.550 -1.956 402 HG2 LYS 55 HG2 LYS 55 10.356 6.363 -2.928 403 HG3 LYS 55 HG3 LYS 55 11.739 5.473 -3.571 404 HD2 LYS 55 HD2 LYS 55 10.271 6.515 -5.309 405 HD3 LYS 55 HD3 LYS 55 10.490 4.773 -5.484 406 HE2 LYS 55 HE2 LYS 55 8.333 4.316 -4.661 407 HE3 LYS 55 HE3 LYS 55 8.144 5.947 -4.020 408 HZ1 LYS 55 HZ1 LYS 55 7.705 6.807 -6.083 409 HZ2 LYS 55 HZ2 LYS 55 6.999 5.278 -6.233 410 HZ3 LYS 55 HZ3 LYS 55 8.520 5.576 -6.910 411 H SER 56 H SER 56 13.586 3.356 -0.889 412 HA SER 56 HA SER 56 12.668 5.044 1.345 413 HB2 SER 56 HB2 SER 56 13.426 2.333 1.477 414 HB3 SER 56 HB3 SER 56 14.770 3.246 2.162 415 HG SER 56 HG SER 56 12.112 3.057 3.031 416 HA PRO 57 HA PRO 57 16.198 7.566 0.685 417 HB2 PRO 57 HB2 PRO 57 16.778 8.349 3.219 418 HB3 PRO 57 HB3 PRO 57 15.374 8.946 2.327 419 HG2 PRO 57 HG2 PRO 57 15.526 6.790 4.398 420 HG3 PRO 57 HG3 PRO 57 14.319 8.075 4.208 421 HD2 PRO 57 HD2 PRO 57 13.881 5.533 3.386 422 HD3 PRO 57 HD3 PRO 57 13.184 6.939 2.555 423 HA PRO 58 HA PRO 58 19.963 5.389 1.334 424 HB2 PRO 58 HB2 PRO 58 21.753 7.406 1.649 425 HB3 PRO 58 HB3 PRO 58 21.007 7.018 0.094 426 HG2 PRO 58 HG2 PRO 58 20.287 9.159 2.058 427 HG3 PRO 58 HG3 PRO 58 20.394 9.252 0.290 428 HD2 PRO 58 HD2 PRO 58 18.035 8.997 1.595 429 HD3 PRO 58 HD3 PRO 58 18.319 8.297 -0.012 430 H GLY 59 H GLY 59 19.081 4.615 3.463 431 HA2 GLY 59 HA2 GLY 59 20.908 4.521 5.451 432 HA3 GLY 59 HA3 GLY 59 20.008 5.979 5.839 433 H ALA 60 H ALA 60 18.673 5.557 7.463 434 HA ALA 60 HA ALA 60 17.093 4.559 8.764 435 HB1 ALA 60 HB1 ALA 60 15.723 2.831 7.055 436 HB2 ALA 60 HB2 ALA 60 15.295 4.494 7.461 437 HB3 ALA 60 HB3 ALA 60 16.273 4.159 6.032 438 H THR 61 H THR 61 16.027 2.192 9.121 439 HA THR 61 HA THR 61 18.282 0.292 9.131 440 HB THR 61 HB THR 61 16.710 -0.532 11.223 441 HG1 THR 61 HG1 THR 61 15.520 1.151 11.729 442 HG21 THR 61 HG21 THR 61 19.294 0.691 10.827 443 HG22 THR 61 HG22 THR 61 18.796 -0.515 12.014 444 HG23 THR 61 HG23 THR 61 18.588 1.201 12.360 445 HA PRO 62 HA PRO 62 15.720 -2.725 7.237 446 HB2 PRO 62 HB2 PRO 62 16.511 -5.007 8.478 447 HB3 PRO 62 HB3 PRO 62 17.520 -4.151 7.306 448 HG2 PRO 62 HG2 PRO 62 17.623 -4.087 10.297 449 HG3 PRO 62 HG3 PRO 62 18.958 -4.180 9.133 450 HD2 PRO 62 HD2 PRO 62 18.244 -1.869 10.350 451 HD3 PRO 62 HD3 PRO 62 18.908 -1.916 8.704 452 H ALA 63 H ALA 63 13.676 -3.415 7.459 453 HA ALA 63 HA ALA 63 11.674 -3.981 8.384 454 HB1 ALA 63 HB1 ALA 63 11.742 -5.732 9.780 455 HB2 ALA 63 HB2 ALA 63 13.491 -5.627 9.573 456 HB3 ALA 63 HB3 ALA 63 12.721 -4.871 10.969 457 HA PRO 64 HA PRO 64 10.325 -0.671 10.928 458 HB2 PRO 64 HB2 PRO 64 8.192 -1.752 12.215 459 HB3 PRO 64 HB3 PRO 64 8.170 -1.341 10.495 460 HG2 PRO 64 HG2 PRO 64 8.596 -4.001 11.803 461 HG3 PRO 64 HG3 PRO 64 7.616 -3.597 10.381 462 HD2 PRO 64 HD2 PRO 64 10.083 -4.695 10.185 463 HD3 PRO 64 HD3 PRO 64 9.442 -3.565 8.975 464 HA PRO 65 HA PRO 65 11.871 -0.874 15.039 465 HB2 PRO 65 HB2 PRO 65 10.164 0.735 16.406 466 HB3 PRO 65 HB3 PRO 65 11.353 1.354 15.254 467 HG2 PRO 65 HG2 PRO 65 8.428 0.846 14.868 468 HG3 PRO 65 HG3 PRO 65 9.404 2.226 14.333 469 HD2 PRO 65 HD2 PRO 65 8.705 0.206 12.672 470 HD3 PRO 65 HD3 PRO 65 10.234 1.093 12.505 471 H GLY 66 H GLY 66 11.739 -2.725 16.160 472 HA2 GLY 66 HA2 GLY 66 9.094 -3.699 16.994 473 HA3 GLY 66 HA3 GLY 66 10.564 -4.660 16.923 474 H ALA 67 H ALA 67 12.352 -3.783 18.439 475 HA ALA 67 HA ALA 67 11.710 -2.329 20.745 476 HB1 ALA 67 HB1 ALA 67 10.450 -3.778 21.877 477 HB2 ALA 67 HB2 ALA 67 10.833 -5.098 20.772 478 HB3 ALA 67 HB3 ALA 67 11.924 -4.719 22.105 479 H ALA 68 H ALA 68 13.596 -4.918 19.304 480 HA ALA 68 HA ALA 68 15.978 -3.844 20.661 481 HB1 ALA 68 HB1 ALA 68 16.874 -6.196 20.659 482 HB2 ALA 68 HB2 ALA 68 15.540 -5.893 21.772 483 HB3 ALA 68 HB3 ALA 68 15.245 -6.734 20.250 484 HA PRO 69 HA PRO 69 16.512 -3.799 16.047 485 HB2 PRO 69 HB2 PRO 69 17.547 -1.291 15.957 486 HB3 PRO 69 HB3 PRO 69 15.810 -1.615 15.914 487 HG2 PRO 69 HG2 PRO 69 17.524 -0.786 18.223 488 HG3 PRO 69 HG3 PRO 69 15.913 -0.208 17.762 489 HD2 PRO 69 HD2 PRO 69 16.300 -2.022 19.734 490 HD3 PRO 69 HD3 PRO 69 14.853 -2.024 18.705 491 HA PRO 70 HA PRO 70 20.816 -4.695 16.018 492 HB2 PRO 70 HB2 PRO 70 21.631 -3.660 13.645 493 HB3 PRO 70 HB3 PRO 70 20.628 -5.110 13.766 494 HG2 PRO 70 HG2 PRO 70 19.816 -2.289 13.181 495 HG3 PRO 70 HG3 PRO 70 19.273 -3.793 12.413 496 HD2 PRO 70 HD2 PRO 70 17.810 -2.507 14.294 497 HD3 PRO 70 HD3 PRO 70 17.790 -4.272 14.111 498 HA PRO 71 HA PRO 71 23.320 -1.357 17.404 499 HB2 PRO 71 HB2 PRO 71 25.771 -1.998 16.429 500 HB3 PRO 71 HB3 PRO 71 25.005 -2.879 17.756 501 HG2 PRO 71 HG2 PRO 71 25.153 -3.584 14.851 502 HG3 PRO 71 HG3 PRO 71 25.372 -4.627 16.268 503 HD2 PRO 71 HD2 PRO 71 23.064 -4.556 14.854 504 HD3 PRO 71 HD3 PRO 71 23.104 -4.861 16.603 505 H ALA 72 H ALA 72 24.087 -2.166 14.014 506 HA ALA 72 HA ALA 72 23.396 0.347 12.984 507 HB1 ALA 72 HB1 ALA 72 25.199 1.642 13.166 508 HB2 ALA 72 HB2 ALA 72 25.787 0.488 14.364 509 HB3 ALA 72 HB3 ALA 72 26.280 0.337 12.677 510 H ALA 73 H ALA 73 24.987 0.645 10.821 511 HA ALA 73 HA ALA 73 25.514 -1.892 9.553 512 HB1 ALA 73 HB1 ALA 73 23.891 -1.125 7.622 513 HB2 ALA 73 HB2 ALA 73 23.309 -2.081 8.986 514 HB3 ALA 73 HB3 ALA 73 23.051 -0.336 8.958 515 H GLY 74 H GLY 74 27.138 -1.660 8.147 516 HA2 GLY 74 HA2 GLY 74 27.637 -0.024 6.135 517 HA3 GLY 74 HA3 GLY 74 27.996 1.052 7.477 518 H GLY 75 H GLY 75 29.597 -0.405 5.266 519 HA2 GLY 75 HA2 GLY 75 32.059 -0.476 6.449 520 HA3 GLY 75 HA3 GLY 75 31.415 -2.088 6.721 521 H SER 76 H SER 76 33.724 -1.682 5.254 522 HA SER 76 HA SER 76 34.723 -2.323 3.313 523 HB2 SER 76 HB2 SER 76 32.296 -3.349 2.003 524 HB3 SER 76 HB3 SER 76 33.828 -4.157 2.333 525 HG SER 76 HG SER 76 32.558 -5.166 3.719 526 HA PRO 77 HA PRO 77 34.074 0.818 0.321 527 HB2 PRO 77 HB2 PRO 77 34.970 -0.350 -1.960 528 HB3 PRO 77 HB3 PRO 77 36.047 0.164 -0.656 529 HG2 PRO 77 HG2 PRO 77 34.988 -2.567 -1.273 530 HG3 PRO 77 HG3 PRO 77 36.627 -2.084 -0.800 531 HD2 PRO 77 HD2 PRO 77 34.862 -3.154 0.952 532 HD3 PRO 77 HD3 PRO 77 36.080 -1.957 1.436 533 H SER 78 H SER 78 32.923 1.415 -1.650 534 HA SER 78 HA SER 78 31.136 -0.395 -2.929 535 HB2 SER 78 HB2 SER 78 29.177 -0.079 -1.840 536 HB3 SER 78 HB3 SER 78 30.197 0.420 -0.491 537 HG SER 78 HG SER 78 28.382 1.859 -1.605 538 HA PRO 79 HA PRO 79 31.100 2.751 -5.985 539 HB2 PRO 79 HB2 PRO 79 28.627 2.486 -7.073 540 HB3 PRO 79 HB3 PRO 79 29.920 1.306 -7.325 541 HG2 PRO 79 HG2 PRO 79 27.614 1.213 -5.417 542 HG3 PRO 79 HG3 PRO 79 28.274 -0.078 -6.439 543 HD2 PRO 79 HD2 PRO 79 28.840 0.123 -3.798 544 HD3 PRO 79 HD3 PRO 79 29.999 -0.526 -4.977 545 HA PRO 80 HA PRO 80 29.212 6.487 -4.638 546 HB2 PRO 80 HB2 PRO 80 28.628 7.742 -6.973 547 HB3 PRO 80 HB3 PRO 80 30.279 7.552 -6.372 548 HG2 PRO 80 HG2 PRO 80 28.816 5.946 -8.432 549 HG3 PRO 80 HG3 PRO 80 30.487 6.539 -8.455 550 HD2 PRO 80 HD2 PRO 80 29.857 3.984 -7.819 551 HD3 PRO 80 HD3 PRO 80 31.245 4.831 -7.107 552 H ALA 81 H ALA 81 27.239 8.027 -5.387 553 HA ALA 81 HA ALA 81 24.888 6.514 -4.830 554 HB1 ALA 81 HB1 ALA 81 25.160 8.771 -3.975 555 HB2 ALA 81 HB2 ALA 81 25.191 9.409 -5.620 556 HB3 ALA 81 HB3 ALA 81 23.721 8.665 -4.990 557 H ASP 82 H ASP 82 23.510 5.586 -6.193 558 HA ASP 82 HA ASP 82 23.158 6.624 -8.885 559 HB2 ASP 82 HB2 ASP 82 24.491 4.037 -8.261 560 HB3 ASP 82 HB3 ASP 82 23.356 4.059 -9.607 561 H GLY 83 H GLY 83 22.417 3.498 -7.346 562 HA2 GLY 83 HA2 GLY 83 19.997 3.654 -6.335 563 HA3 GLY 83 HA3 GLY 83 19.599 3.910 -8.027 564 H GLY 84 H GLY 84 18.453 2.062 -8.399 565 HA2 GLY 84 HA2 GLY 84 19.633 -0.221 -9.274 566 HA3 GLY 84 HA3 GLY 84 19.441 -0.512 -7.552 567 H SER 85 H SER 85 17.254 -0.368 -6.665 568 HA SER 85 HA SER 85 15.056 -0.957 -6.634 569 HB2 SER 85 HB2 SER 85 14.916 -0.077 -9.520 570 HB3 SER 85 HB3 SER 85 13.613 -0.109 -8.333 571 HG SER 85 HG SER 85 14.816 1.977 -8.852 572 HA PRO 86 HA PRO 86 16.205 -4.885 -8.865 573 HB2 PRO 86 HB2 PRO 86 16.090 -6.462 -6.659 574 HB3 PRO 86 HB3 PRO 86 17.550 -5.591 -7.142 575 HG2 PRO 86 HG2 PRO 86 15.509 -4.866 -5.076 576 HG3 PRO 86 HG3 PRO 86 17.277 -4.759 -4.988 577 HD2 PRO 86 HD2 PRO 86 15.711 -2.608 -5.493 578 HD3 PRO 86 HD3 PRO 86 17.342 -2.782 -6.172 579 HA PRO 87 HA PRO 87 12.104 -6.439 -9.189 580 HB2 PRO 87 HB2 PRO 87 12.493 -9.115 -9.431 581 HB3 PRO 87 HB3 PRO 87 12.895 -7.967 -10.712 582 HG2 PRO 87 HG2 PRO 87 14.689 -9.252 -8.690 583 HG3 PRO 87 HG3 PRO 87 14.963 -8.990 -10.422 584 HD2 PRO 87 HD2 PRO 87 16.035 -7.389 -8.519 585 HD3 PRO 87 HD3 PRO 87 15.566 -6.786 -10.122 586 HA PRO 88 HA PRO 88 10.449 -7.849 -5.367 587 HB2 PRO 88 HB2 PRO 88 8.393 -9.439 -6.152 588 HB3 PRO 88 HB3 PRO 88 8.360 -7.678 -6.307 589 HG2 PRO 88 HG2 PRO 88 8.977 -9.751 -8.377 590 HG3 PRO 88 HG3 PRO 88 7.986 -8.287 -8.520 591 HD2 PRO 88 HD2 PRO 88 10.535 -8.415 -9.426 592 HD3 PRO 88 HD3 PRO 88 9.821 -6.919 -8.789 593 HA PRO 89 HA PRO 89 11.957 -11.794 -4.143 594 HB2 PRO 89 HB2 PRO 89 10.115 -12.604 -2.322 595 HB3 PRO 89 HB3 PRO 89 11.267 -11.301 -2.008 596 HG2 PRO 89 HG2 PRO 89 8.395 -11.132 -2.835 597 HG3 PRO 89 HG3 PRO 89 9.268 -10.176 -1.624 598 HD2 PRO 89 HD2 PRO 89 8.747 -9.246 -4.113 599 HD3 PRO 89 HD3 PRO 89 10.205 -8.790 -3.209 600 H ALA 90 H ALA 90 10.965 -14.132 -3.537 601 HA ALA 90 HA ALA 90 9.170 -14.879 -5.753 602 HB1 ALA 90 HB1 ALA 90 10.681 -17.136 -5.204 603 HB2 ALA 90 HB2 ALA 90 10.871 -16.052 -6.582 604 HB3 ALA 90 HB3 ALA 90 11.841 -15.810 -5.129 605 H ASP 91 H ASP 91 10.210 -15.503 -2.455 606 HA ASP 91 HA ASP 91 9.215 -16.555 -0.701 607 HB2 ASP 91 HB2 ASP 91 7.296 -15.009 -1.774 608 HB3 ASP 91 HB3 ASP 91 6.543 -16.586 -1.994 609 H GLY 92 H GLY 92 7.510 -18.448 -0.220 610 HA2 GLY 92 HA2 GLY 92 8.591 -20.737 -1.570 611 HA3 GLY 92 HA3 GLY 92 7.388 -20.753 -0.289 612 H GLY 93 H GLY 93 7.875 -21.624 -3.383 613 HA2 GLY 93 HA2 GLY 93 5.630 -22.665 -4.170 614 HA3 GLY 93 HA3 GLY 93 5.151 -20.978 -4.279 615 H SER 94 H SER 94 6.062 -19.655 -5.882 616 HA SER 94 HA SER 94 6.780 -19.192 -7.990 617 HB2 SER 94 HB2 SER 94 8.791 -21.409 -7.568 618 HB3 SER 94 HB3 SER 94 8.942 -20.009 -8.629 619 HG SER 94 HG SER 94 8.836 -18.720 -6.666 620 HA PRO 95 HA PRO 95 5.283 -18.680 -9.070 621 HB2 PRO 95 HB2 PRO 95 2.614 -18.923 -9.502 622 HB3 PRO 95 HB3 PRO 95 3.798 -18.865 -10.813 623 HG2 PRO 95 HG2 PRO 95 2.449 -21.238 -9.585 624 HG3 PRO 95 HG3 PRO 95 2.760 -20.889 -11.295 625 HD2 PRO 95 HD2 PRO 95 4.301 -22.582 -9.850 626 HD3 PRO 95 HD3 PRO 95 4.953 -21.588 -11.169 627 HA PRO 96 HA PRO 96 3.852 -18.529 -4.913 628 HB2 PRO 96 HB2 PRO 96 2.512 -16.168 -4.884 629 HB3 PRO 96 HB3 PRO 96 4.275 -16.271 -4.967 630 HG2 PRO 96 HG2 PRO 96 2.298 -15.821 -7.170 631 HG3 PRO 96 HG3 PRO 96 3.852 -15.017 -6.879 632 HD2 PRO 96 HD2 PRO 96 3.555 -16.997 -8.702 633 HD3 PRO 96 HD3 PRO 96 5.063 -16.749 -7.800 634 H VAL 97 H VAL 97 1.790 -18.024 -3.593 635 HA VAL 97 HA VAL 97 -0.677 -18.673 -5.002 636 HB VAL 97 HB VAL 97 0.163 -20.876 -4.452 637 HG11 VAL 97 HG11 VAL 97 0.202 -20.058 -1.555 638 HG12 VAL 97 HG12 VAL 97 0.774 -21.569 -2.265 639 HG13 VAL 97 HG13 VAL 97 1.637 -20.064 -2.579 640 HG21 VAL 97 HG21 VAL 97 -2.295 -20.190 -4.099 641 HG22 VAL 97 HG22 VAL 97 -1.750 -21.728 -3.430 642 HG23 VAL 97 HG23 VAL 97 -1.930 -20.323 -2.379 643 H ASP 98 H ASP 98 -2.252 -17.427 -4.252 644 HA ASP 98 HA ASP 98 -3.510 -16.099 -2.899 645 HB2 ASP 98 HB2 ASP 98 -2.384 -18.115 -1.105 646 HB3 ASP 98 HB3 ASP 98 -2.765 -16.603 -0.286 647 H GLY 99 H GLY 99 -2.966 -14.023 -3.114 648 HA2 GLY 99 HA2 GLY 99 -2.145 -12.038 -2.070 649 HA3 GLY 99 HA3 GLY 99 -0.834 -12.983 -1.379 650 H GLY 100 H GLY 100 0.428 -11.115 -2.225 651 HA2 GLY 100 HA2 GLY 100 0.977 -11.412 -5.111 652 HA3 GLY 100 HA3 GLY 100 1.246 -9.937 -4.194 653 H SER 101 H SER 101 2.106 -12.891 -2.667 654 HA SER 101 HA SER 101 4.109 -13.713 -1.964 655 HB2 SER 101 HB2 SER 101 4.179 -14.258 -4.434 656 HB3 SER 101 HB3 SER 101 5.164 -12.810 -4.649 657 HG SER 101 HG SER 101 6.266 -14.930 -4.304 658 HA PRO 102 HA PRO 102 5.606 -9.405 -0.977 659 HB2 PRO 102 HB2 PRO 102 5.247 -9.625 1.705 660 HB3 PRO 102 HB3 PRO 102 3.973 -9.081 0.607 661 HG2 PRO 102 HG2 PRO 102 4.413 -11.789 1.804 662 HG3 PRO 102 HG3 PRO 102 2.901 -10.884 1.610 663 HD2 PRO 102 HD2 PRO 102 3.630 -12.879 -0.069 664 HD3 PRO 102 HD3 PRO 102 2.683 -11.477 -0.607 665 HA PRO 103 HA PRO 103 6.431 -8.150 1.057 666 HB2 PRO 103 HB2 PRO 103 8.698 -6.677 0.813 667 HB3 PRO 103 HB3 PRO 103 8.267 -7.537 2.295 668 HG2 PRO 103 HG2 PRO 103 10.163 -8.340 0.122 669 HG3 PRO 103 HG3 PRO 103 10.358 -8.467 1.881 670 HD2 PRO 103 HD2 PRO 103 9.653 -10.577 0.337 671 HD3 PRO 103 HD3 PRO 103 9.088 -10.387 2.009 672 HA PRO 104 HA PRO 104 5.924 -6.544 -3.005 673 HB2 PRO 104 HB2 PRO 104 5.834 -3.863 -2.585 674 HB3 PRO 104 HB3 PRO 104 4.527 -4.954 -2.110 675 HG2 PRO 104 HG2 PRO 104 6.718 -3.782 -0.440 676 HG3 PRO 104 HG3 PRO 104 4.996 -3.964 -0.058 677 HD2 PRO 104 HD2 PRO 104 6.884 -5.663 0.881 678 HD3 PRO 104 HD3 PRO 104 5.228 -6.186 0.511 679 HA PRO 105 HA PRO 105 9.696 -5.301 -4.890 680 HB2 PRO 105 HB2 PRO 105 8.860 -3.659 -6.883 681 HB3 PRO 105 HB3 PRO 105 8.620 -5.409 -6.917 682 HG2 PRO 105 HG2 PRO 105 6.693 -3.248 -6.158 683 HG3 PRO 105 HG3 PRO 105 6.419 -4.694 -7.146 684 HD2 PRO 105 HD2 PRO 105 5.683 -4.546 -4.544 685 HD3 PRO 105 HD3 PRO 105 6.201 -6.064 -5.305 686 H SER 106 H SER 106 10.652 -3.104 -5.985 687 HA SER 106 HA SER 106 10.778 -1.234 -3.756 688 HB2 SER 106 HB2 SER 106 12.884 -2.054 -4.730 689 HB3 SER 106 HB3 SER 106 12.428 -1.374 -6.292 690 HG SER 106 HG SER 106 13.664 -0.168 -4.282 691 H THR 107 H THR 107 8.362 -0.952 -4.790 692 HA THR 107 HA THR 107 8.245 1.745 -5.580 693 HB THR 107 HB THR 107 8.972 1.028 -7.760 694 HG1 THR 107 HG1 THR 107 7.053 2.495 -7.487 695 HG21 THR 107 HG21 THR 107 8.312 -1.361 -7.495 696 HG22 THR 107 HG22 THR 107 7.852 -0.670 -9.051 697 HG23 THR 107 HG23 THR 107 6.639 -0.887 -7.790 698 H HIS 108 H HIS 108 6.664 -1.397 -5.531 699 HA HIS 108 HA HIS 108 4.584 -2.056 -4.890 700 HB2 HIS 108 HB2 HIS 108 5.223 -0.596 -2.906 701 HB3 HIS 108 HB3 HIS 108 4.257 0.676 -3.649 702 HD1 HIS 108 HD1 HIS 108 3.886 -1.412 -0.992 703 HD2 HIS 108 HD2 HIS 108 1.561 -0.884 -4.394 704 HE1 HIS 108 HE1 HIS 108 1.596 -2.252 -0.379 Start of MODEL 16 1 H1 ALA 1 H ALA 1 3.319 -3.735 -1.165 2 HA ALA 1 HA ALA 1 4.891 -2.131 -1.770 3 HB1 ALA 1 HB1 ALA 1 2.715 -0.058 -1.798 4 HB2 ALA 1 HB2 ALA 1 4.302 0.005 -2.567 5 HB3 ALA 1 HB3 ALA 1 3.064 -1.086 -3.189 6 H GLY 2 H GLY 2 5.640 -2.565 0.358 7 HA2 GLY 2 HA2 GLY 2 4.802 -0.591 2.384 8 HA3 GLY 2 HA3 GLY 2 5.495 -2.164 2.749 9 H SER 3 H SER 3 6.141 1.122 1.857 10 HA SER 3 HA SER 3 8.847 0.968 1.205 11 HB2 SER 3 HB2 SER 3 8.470 3.367 2.657 12 HB3 SER 3 HB3 SER 3 8.453 3.153 0.907 13 HG SER 3 HG SER 3 6.269 3.068 2.705 14 H LYS 4 H LYS 4 10.626 0.544 2.335 15 HA LYS 4 HA LYS 4 11.105 1.282 4.992 16 HB2 LYS 4 HB2 LYS 4 11.129 -1.082 5.962 17 HB3 LYS 4 HB3 LYS 4 9.559 -0.313 5.770 18 HG2 LYS 4 HG2 LYS 4 8.848 -1.955 4.466 19 HG3 LYS 4 HG3 LYS 4 10.241 -1.779 3.397 20 HD2 LYS 4 HD2 LYS 4 10.726 -3.862 4.112 21 HD3 LYS 4 HD3 LYS 4 11.393 -3.012 5.508 22 HE2 LYS 4 HE2 LYS 4 10.025 -4.302 6.720 23 HE3 LYS 4 HE3 LYS 4 8.744 -3.227 6.163 24 HZ1 LYS 4 HZ1 LYS 4 9.116 -5.092 4.158 25 HZ2 LYS 4 HZ2 LYS 4 7.808 -4.984 5.225 26 HZ3 LYS 4 HZ3 LYS 4 9.127 -5.973 5.603 27 H LEU 5 H LEU 5 12.935 -0.397 5.907 28 HA LEU 5 HA LEU 5 14.914 -0.492 3.742 29 HB2 LEU 5 HB2 LEU 5 15.057 -0.069 6.680 30 HB3 LEU 5 HB3 LEU 5 16.433 -0.831 5.885 31 HG LEU 5 HG LEU 5 15.409 1.716 4.745 32 HD11 LEU 5 HD11 LEU 5 16.784 3.005 6.329 33 HD12 LEU 5 HD12 LEU 5 17.027 1.542 7.282 34 HD13 LEU 5 HD13 LEU 5 15.409 2.221 7.108 35 HD21 LEU 5 HD21 LEU 5 17.978 2.001 4.630 36 HD22 LEU 5 HD22 LEU 5 17.193 0.853 3.544 37 HD23 LEU 5 HD23 LEU 5 18.020 0.275 4.991 38 H CYS 6 H CYS 6 15.995 -2.335 3.220 39 HA CYS 6 HA CYS 6 15.214 -4.784 4.663 40 HB2 CYS 6 HB2 CYS 6 15.597 -4.316 1.708 41 HB3 CYS 6 HB3 CYS 6 15.595 -5.930 2.413 42 H GLU 7 H GLU 7 16.793 -6.193 5.235 43 HA GLU 7 HA GLU 7 19.540 -5.564 4.377 44 HB2 GLU 7 HB2 GLU 7 19.500 -4.810 6.597 45 HB3 GLU 7 HB3 GLU 7 18.478 -6.139 7.127 46 HG2 GLU 7 HG2 GLU 7 21.114 -6.894 6.056 47 HG3 GLU 7 HG3 GLU 7 21.119 -6.005 7.579 48 H LYS 8 H LYS 8 20.827 -7.254 3.828 49 HA LYS 8 HA LYS 8 19.560 -9.906 3.816 50 HB2 LYS 8 HB2 LYS 8 20.255 -8.837 1.634 51 HB3 LYS 8 HB3 LYS 8 21.922 -8.997 2.170 52 HG2 LYS 8 HG2 LYS 8 21.363 -10.810 0.692 53 HG3 LYS 8 HG3 LYS 8 21.614 -11.434 2.324 54 HD2 LYS 8 HD2 LYS 8 19.663 -12.466 1.284 55 HD3 LYS 8 HD3 LYS 8 19.192 -11.487 2.676 56 HE2 LYS 8 HE2 LYS 8 18.083 -9.976 1.404 57 HE3 LYS 8 HE3 LYS 8 19.212 -10.119 0.058 58 HZ1 LYS 8 HZ1 LYS 8 17.077 -10.992 -0.568 59 HZ2 LYS 8 HZ2 LYS 8 17.059 -12.040 0.759 60 HZ3 LYS 8 HZ3 LYS 8 18.186 -12.267 -0.482 61 H THR 9 H THR 9 20.854 -11.775 4.268 62 HA THR 9 HA THR 9 23.127 -11.197 6.055 63 HB THR 9 HB THR 9 21.785 -13.786 6.429 64 HG1 THR 9 HG1 THR 9 20.045 -12.739 7.614 65 HG21 THR 9 HG21 THR 9 23.432 -12.003 7.874 66 HG22 THR 9 HG22 THR 9 22.830 -13.581 8.385 67 HG23 THR 9 HG23 THR 9 21.908 -12.123 8.753 68 H SER 10 H SER 10 23.359 -11.609 3.236 69 HA SER 10 HA SER 10 24.643 -12.746 1.741 70 HB2 SER 10 HB2 SER 10 26.385 -12.598 3.443 71 HB3 SER 10 HB3 SER 10 25.753 -14.034 4.247 72 HG SER 10 HG SER 10 26.785 -15.226 2.865 73 H LYS 11 H LYS 11 23.509 -14.051 0.468 74 HA LYS 11 HA LYS 11 22.839 -16.736 1.471 75 HB2 LYS 11 HB2 LYS 11 21.092 -14.742 0.097 76 HB3 LYS 11 HB3 LYS 11 20.847 -16.449 -0.249 77 HG2 LYS 11 HG2 LYS 11 19.358 -16.010 1.476 78 HG3 LYS 11 HG3 LYS 11 20.736 -16.752 2.293 79 HD2 LYS 11 HD2 LYS 11 21.405 -14.102 2.339 80 HD3 LYS 11 HD3 LYS 11 19.649 -14.040 2.512 81 HE2 LYS 11 HE2 LYS 11 21.516 -15.693 4.211 82 HE3 LYS 11 HE3 LYS 11 20.812 -14.146 4.682 83 HZ1 LYS 11 HZ1 LYS 11 19.257 -16.588 4.017 84 HZ2 LYS 11 HZ2 LYS 11 18.624 -15.116 4.558 85 HZ3 LYS 11 HZ3 LYS 11 19.591 -16.049 5.586 86 H THR 12 H THR 12 24.536 -14.949 -0.722 87 HA THR 12 HA THR 12 24.923 -17.276 -2.437 88 HB THR 12 HB THR 12 24.428 -16.285 -4.457 89 HG1 THR 12 HG1 THR 12 25.534 -14.418 -4.503 90 HG21 THR 12 HG21 THR 12 22.248 -15.361 -4.336 91 HG22 THR 12 HG22 THR 12 22.535 -14.710 -2.721 92 HG23 THR 12 HG23 THR 12 22.390 -16.452 -2.958 93 H TYR 13 H TYR 13 26.386 -15.536 -0.396 94 HA TYR 13 HA TYR 13 28.675 -14.729 -2.051 95 HB2 TYR 13 HB2 TYR 13 27.644 -13.074 -0.444 96 HB3 TYR 13 HB3 TYR 13 28.219 -14.097 0.867 97 HD1 TYR 13 HD1 TYR 13 29.696 -12.751 -2.299 98 HD2 TYR 13 HD2 TYR 13 30.088 -13.256 1.907 99 HE1 TYR 13 HE1 TYR 13 31.873 -11.607 -2.371 100 HE2 TYR 13 HE2 TYR 13 32.266 -12.113 1.847 101 HH TYR 13 HH TYR 13 33.380 -10.358 0.236 102 H SER 14 H SER 14 27.644 -17.373 -0.481 103 HA SER 14 HA SER 14 29.541 -18.249 1.270 104 HB2 SER 14 HB2 SER 14 27.451 -19.430 -0.039 105 HB3 SER 14 HB3 SER 14 28.827 -20.284 -0.737 106 HG SER 14 HG SER 14 28.027 -20.126 1.965 107 H GLY 15 H GLY 15 31.669 -17.902 1.056 108 HA2 GLY 15 HA2 GLY 15 33.139 -19.377 -0.909 109 HA3 GLY 15 HA3 GLY 15 33.164 -17.650 -1.236 110 H LYS 16 H LYS 16 35.017 -16.798 -0.592 111 HA LYS 16 HA LYS 16 36.365 -17.905 1.762 112 HB2 LYS 16 HB2 LYS 16 38.347 -16.730 0.974 113 HB3 LYS 16 HB3 LYS 16 37.673 -17.719 -0.315 114 HG2 LYS 16 HG2 LYS 16 36.586 -15.692 -1.237 115 HG3 LYS 16 HG3 LYS 16 37.407 -14.736 0.000 116 HD2 LYS 16 HD2 LYS 16 39.337 -16.385 -1.285 117 HD3 LYS 16 HD3 LYS 16 38.386 -15.573 -2.531 118 HE2 LYS 16 HE2 LYS 16 40.044 -14.024 -2.133 119 HE3 LYS 16 HE3 LYS 16 38.771 -13.462 -1.051 120 HZ1 LYS 16 HZ1 LYS 16 40.890 -13.484 0.075 121 HZ2 LYS 16 HZ2 LYS 16 41.108 -15.123 -0.279 122 HZ3 LYS 16 HZ3 LYS 16 39.868 -14.642 0.767 123 H CYS 17 H CYS 17 34.311 -15.407 0.962 124 HA CYS 17 HA CYS 17 33.603 -13.538 2.047 125 HB2 CYS 17 HB2 CYS 17 33.413 -14.859 4.025 126 HB3 CYS 17 HB3 CYS 17 35.155 -14.846 4.280 127 H ASP 18 H ASP 18 34.401 -11.740 1.174 128 HA ASP 18 HA ASP 18 37.099 -10.884 1.995 129 HB2 ASP 18 HB2 ASP 18 36.277 -11.490 -0.600 130 HB3 ASP 18 HB3 ASP 18 36.236 -9.731 -0.527 131 H ASN 19 H ASN 19 37.130 -8.358 0.984 132 HA ASN 19 HA ASN 19 35.169 -7.032 2.695 133 HB2 ASN 19 HB2 ASN 19 37.846 -6.310 1.593 134 HB3 ASN 19 HB3 ASN 19 36.724 -5.003 1.963 135 HD21 ASN 19 HD22 ASN 19 39.020 -5.060 3.312 136 HD22 ASN 19 HD21 ASN 19 38.771 -5.562 4.946 137 H LYS 20 H LYS 20 36.686 -5.974 -0.340 138 HA LYS 20 HA LYS 20 34.472 -4.453 -1.168 139 HB2 LYS 20 HB2 LYS 20 36.478 -3.818 -2.159 140 HB3 LYS 20 HB3 LYS 20 36.939 -5.476 -2.523 141 HG2 LYS 20 HG2 LYS 20 35.021 -5.489 -4.184 142 HG3 LYS 20 HG3 LYS 20 34.954 -3.740 -3.956 143 HD2 LYS 20 HD2 LYS 20 37.421 -3.708 -4.533 144 HD3 LYS 20 HD3 LYS 20 37.229 -5.388 -5.040 145 HE2 LYS 20 HE2 LYS 20 35.601 -4.751 -6.696 146 HE3 LYS 20 HE3 LYS 20 35.610 -3.085 -6.121 147 HZ1 LYS 20 HZ1 LYS 20 38.074 -3.134 -6.704 148 HZ2 LYS 20 HZ2 LYS 20 36.974 -3.065 -7.987 149 HZ3 LYS 20 HZ3 LYS 20 37.724 -4.530 -7.594 150 H LYS 21 H LYS 21 35.473 -7.754 -1.914 151 HA LYS 21 HA LYS 21 33.679 -8.326 -3.962 152 HB2 LYS 21 HB2 LYS 21 34.780 -10.135 -1.806 153 HB3 LYS 21 HB3 LYS 21 33.913 -10.705 -3.227 154 HG2 LYS 21 HG2 LYS 21 36.533 -9.221 -3.203 155 HG3 LYS 21 HG3 LYS 21 36.291 -10.934 -3.555 156 HD2 LYS 21 HD2 LYS 21 36.307 -10.197 -5.694 157 HD3 LYS 21 HD3 LYS 21 34.609 -9.859 -5.354 158 HE2 LYS 21 HE2 LYS 21 34.959 -7.705 -5.756 159 HE3 LYS 21 HE3 LYS 21 36.135 -7.649 -4.444 160 HZ1 LYS 21 HZ1 LYS 21 36.930 -6.960 -6.730 161 HZ2 LYS 21 HZ2 LYS 21 36.857 -8.596 -7.152 162 HZ3 LYS 21 HZ3 LYS 21 37.886 -8.089 -5.909 163 H CYS 22 H CYS 22 33.254 -8.524 -0.454 164 HA CYS 22 HA CYS 22 30.733 -9.724 -0.409 165 HB2 CYS 22 HB2 CYS 22 32.086 -9.462 1.604 166 HB3 CYS 22 HB3 CYS 22 31.924 -7.712 1.511 167 H ASP 23 H ASP 23 31.596 -6.274 -0.439 168 HA ASP 23 HA ASP 23 28.934 -5.321 -0.451 169 HB2 ASP 23 HB2 ASP 23 30.986 -3.988 0.150 170 HB3 ASP 23 HB3 ASP 23 31.357 -3.904 -1.570 171 H LYS 24 H LYS 24 31.311 -5.616 -3.091 172 HA LYS 24 HA LYS 24 29.702 -4.778 -5.183 173 HB2 LYS 24 HB2 LYS 24 32.038 -5.098 -5.560 174 HB3 LYS 24 HB3 LYS 24 31.944 -6.796 -5.111 175 HG2 LYS 24 HG2 LYS 24 30.622 -7.263 -7.102 176 HG3 LYS 24 HG3 LYS 24 30.680 -5.556 -7.548 177 HD2 LYS 24 HD2 LYS 24 32.750 -5.736 -8.388 178 HD3 LYS 24 HD3 LYS 24 33.312 -6.713 -7.030 179 HE2 LYS 24 HE2 LYS 24 31.630 -7.757 -9.305 180 HE3 LYS 24 HE3 LYS 24 33.387 -7.884 -9.226 181 HZ1 LYS 24 HZ1 LYS 24 33.291 -9.389 -7.509 182 HZ2 LYS 24 HZ2 LYS 24 31.929 -9.835 -8.407 183 HZ3 LYS 24 HZ3 LYS 24 31.750 -8.905 -7.005 184 H LYS 25 H LYS 25 30.161 -8.085 -3.954 185 HA LYS 25 HA LYS 25 28.433 -9.365 -5.751 186 HB2 LYS 25 HB2 LYS 25 30.125 -10.333 -4.012 187 HB3 LYS 25 HB3 LYS 25 28.746 -10.308 -2.921 188 HG2 LYS 25 HG2 LYS 25 28.614 -11.643 -5.603 189 HG3 LYS 25 HG3 LYS 25 29.225 -12.473 -4.170 190 HD2 LYS 25 HD2 LYS 25 26.470 -11.366 -4.653 191 HD3 LYS 25 HD3 LYS 25 26.935 -13.036 -4.319 192 HE2 LYS 25 HE2 LYS 25 27.847 -12.030 -2.089 193 HE3 LYS 25 HE3 LYS 25 26.743 -10.706 -2.458 194 HZ1 LYS 25 HZ1 LYS 25 26.160 -13.432 -1.643 195 HZ2 LYS 25 HZ2 LYS 25 25.144 -12.793 -2.835 196 HZ3 LYS 25 HZ3 LYS 25 25.302 -12.004 -1.346 197 H CYS 26 H CYS 26 27.826 -7.700 -2.720 198 HA CYS 26 HA CYS 26 25.167 -8.573 -2.342 199 HB2 CYS 26 HB2 CYS 26 26.815 -6.298 -1.314 200 HB3 CYS 26 HB3 CYS 26 25.075 -6.280 -1.043 201 H ILE 27 H ILE 27 26.527 -5.704 -3.923 202 HA ILE 27 HA ILE 27 23.928 -4.725 -4.696 203 HB ILE 27 HB ILE 27 26.598 -3.790 -5.737 204 HG12 ILE 27 HG12 ILE 27 25.487 -2.108 -3.680 205 HG13 ILE 27 HG13 ILE 27 25.695 -3.743 -3.064 206 HG21 ILE 27 HG21 ILE 27 23.812 -2.730 -5.770 207 HG22 ILE 27 HG22 ILE 27 25.165 -1.600 -5.748 208 HG23 ILE 27 HG23 ILE 27 25.016 -2.772 -7.057 209 HD11 ILE 27 HD11 ILE 27 27.727 -2.848 -2.564 210 HD12 ILE 27 HD12 ILE 27 28.066 -3.498 -4.168 211 HD13 ILE 27 HD13 ILE 27 27.727 -1.779 -3.966 212 H GLU 28 H GLU 28 26.240 -6.898 -5.974 213 HA GLU 28 HA GLU 28 25.353 -6.607 -8.722 214 HB2 GLU 28 HB2 GLU 28 27.412 -8.284 -7.331 215 HB3 GLU 28 HB3 GLU 28 26.882 -8.713 -8.951 216 HG2 GLU 28 HG2 GLU 28 27.559 -5.898 -8.697 217 HG3 GLU 28 HG3 GLU 28 28.904 -6.970 -8.311 218 H TRP 29 H TRP 29 24.944 -8.817 -6.021 219 HA TRP 29 HA TRP 29 23.159 -10.484 -7.651 220 HB2 TRP 29 HB2 TRP 29 24.560 -10.974 -5.024 221 HB3 TRP 29 HB3 TRP 29 23.291 -12.035 -5.631 222 HD1 TRP 29 HD1 TRP 29 26.482 -10.526 -7.279 223 HE1 TRP 29 HE1 TRP 29 27.711 -12.435 -8.492 224 HE3 TRP 29 HE3 TRP 29 23.334 -14.385 -6.121 225 HZ2 TRP 29 HZ2 TRP 29 27.388 -15.209 -8.904 226 HZ3 TRP 29 HZ3 TRP 29 23.866 -16.634 -6.965 227 HH2 TRP 29 HH2 TRP 29 25.851 -17.035 -8.328 228 H GLU 30 H GLU 30 23.305 -8.881 -4.477 229 HA GLU 30 HA GLU 30 20.407 -9.130 -4.217 230 HB2 GLU 30 HB2 GLU 30 22.270 -7.860 -2.220 231 HB3 GLU 30 HB3 GLU 30 20.673 -8.539 -1.939 232 HG2 GLU 30 HG2 GLU 30 23.268 -9.956 -2.378 233 HG3 GLU 30 HG3 GLU 30 22.120 -10.119 -1.051 234 H LYS 31 H LYS 31 22.471 -7.047 -5.660 235 HA LYS 31 HA LYS 31 22.473 -4.814 -6.174 236 HB2 LYS 31 HB2 LYS 31 19.499 -5.365 -6.174 237 HB3 LYS 31 HB3 LYS 31 20.280 -3.998 -6.959 238 HG2 LYS 31 HG2 LYS 31 20.941 -6.846 -7.645 239 HG3 LYS 31 HG3 LYS 31 19.645 -5.947 -8.436 240 HD2 LYS 31 HD2 LYS 31 21.081 -4.673 -9.623 241 HD3 LYS 31 HD3 LYS 31 22.238 -4.560 -8.295 242 HE2 LYS 31 HE2 LYS 31 23.507 -6.096 -9.273 243 HE3 LYS 31 HE3 LYS 31 22.183 -7.255 -9.174 244 HZ1 LYS 31 HZ1 LYS 31 21.333 -6.277 -11.282 245 HZ2 LYS 31 HZ2 LYS 31 22.819 -7.069 -11.437 246 HZ3 LYS 31 HZ3 LYS 31 22.763 -5.379 -11.397 247 H ALA 32 H ALA 32 22.621 -5.262 -3.381 248 HA ALA 32 HA ALA 32 20.801 -3.488 -2.039 249 HB1 ALA 32 HB1 ALA 32 21.820 -5.469 -0.947 250 HB2 ALA 32 HB2 ALA 32 23.382 -4.651 -1.004 251 HB3 ALA 32 HB3 ALA 32 22.064 -3.968 -0.052 252 H GLN 33 H GLN 33 22.373 -2.064 -0.313 253 HA GLN 33 HA GLN 33 23.595 -0.098 -2.120 254 HB2 GLN 33 HB2 GLN 33 21.747 0.157 -0.008 255 HB3 GLN 33 HB3 GLN 33 23.249 0.866 0.570 256 HG2 GLN 33 HG2 GLN 33 22.603 1.683 -2.139 257 HG3 GLN 33 HG3 GLN 33 21.346 2.107 -0.979 258 HE21 GLN 33 HE22 GLN 33 21.807 4.305 -1.233 259 HE22 GLN 33 HE21 GLN 33 23.205 5.028 -0.522 260 H HIS 34 H HIS 34 24.091 -1.657 1.035 261 HA HIS 34 HA HIS 34 26.981 -1.408 0.627 262 HB2 HIS 34 HB2 HIS 34 25.688 0.290 2.332 263 HB3 HIS 34 HB3 HIS 34 26.125 -1.025 3.418 264 HD1 HIS 34 HD1 HIS 34 27.464 1.962 1.850 265 HD2 HIS 34 HD2 HIS 34 29.012 -1.571 3.396 266 HE1 HIS 34 HE1 HIS 34 29.913 2.403 2.214 267 H GLY 35 H GLY 35 28.239 -2.981 1.715 268 HA2 GLY 35 HA2 GLY 35 26.804 -5.091 3.145 269 HA3 GLY 35 HA3 GLY 35 27.620 -5.541 1.655 270 H ALA 36 H ALA 36 28.063 -6.327 4.501 271 HA ALA 36 HA ALA 36 30.948 -5.787 4.535 272 HB1 ALA 36 HB1 ALA 36 29.009 -4.965 6.540 273 HB2 ALA 36 HB2 ALA 36 30.316 -5.941 7.213 274 HB3 ALA 36 HB3 ALA 36 30.686 -4.469 6.315 275 H CYS 37 H CYS 37 32.183 -7.363 5.771 276 HA CYS 37 HA CYS 37 30.800 -9.958 5.982 277 HB2 CYS 37 HB2 CYS 37 32.610 -9.488 4.101 278 HB3 CYS 37 HB3 CYS 37 33.729 -9.835 5.416 279 H HIS 38 H HIS 38 31.351 -11.309 7.685 280 HA HIS 38 HA HIS 38 33.340 -10.421 9.613 281 HB2 HIS 38 HB2 HIS 38 31.006 -9.390 10.114 282 HB3 HIS 38 HB3 HIS 38 30.578 -11.017 10.635 283 HD1 HIS 38 HD1 HIS 38 30.854 -11.332 13.060 284 HD2 HIS 38 HD2 HIS 38 33.572 -8.573 11.555 285 HE1 HIS 38 HE1 HIS 38 32.179 -10.542 15.046 286 H LYS 39 H LYS 39 33.813 -12.039 11.246 287 HA LYS 39 HA LYS 39 33.101 -14.754 10.345 288 HB2 LYS 39 HB2 LYS 39 35.268 -15.502 11.138 289 HB3 LYS 39 HB3 LYS 39 35.479 -14.173 10.006 290 HG2 LYS 39 HG2 LYS 39 36.833 -13.306 11.546 291 HG3 LYS 39 HG3 LYS 39 35.357 -12.876 12.414 292 HD2 LYS 39 HD2 LYS 39 35.686 -15.445 13.209 293 HD3 LYS 39 HD3 LYS 39 37.366 -14.949 12.995 294 HE2 LYS 39 HE2 LYS 39 36.557 -12.832 14.338 295 HE3 LYS 39 HE3 LYS 39 35.307 -13.941 14.899 296 HZ1 LYS 39 HZ1 LYS 39 36.749 -15.002 16.200 297 HZ2 LYS 39 HZ2 LYS 39 37.787 -13.688 15.966 298 HZ3 LYS 39 HZ3 LYS 39 37.943 -15.070 15.003 299 H ARG 40 H ARG 40 32.147 -16.080 11.761 300 HA ARG 40 HA ARG 40 32.591 -16.196 14.506 301 HB2 ARG 40 HB2 ARG 40 31.073 -13.947 13.856 302 HB3 ARG 40 HB3 ARG 40 29.895 -15.125 14.421 303 HG2 ARG 40 HG2 ARG 40 30.399 -14.435 16.471 304 HG3 ARG 40 HG3 ARG 40 31.916 -15.315 16.280 305 HD2 ARG 40 HD2 ARG 40 33.092 -13.382 15.678 306 HD3 ARG 40 HD3 ARG 40 31.614 -12.488 15.326 307 HE ARG 40 HE ARG 40 31.539 -11.871 17.517 308 HH11 ARG 40 HH12 ARG 40 33.521 -14.720 17.236 309 HH12 ARG 40 HH11 ARG 40 33.991 -14.716 18.904 310 HH21 ARG 40 HH22 ARG 40 32.151 -11.856 19.715 311 HH22 ARG 40 HH21 ARG 40 33.211 -13.087 20.313 312 H GLU 41 H GLU 41 30.564 -17.281 15.640 313 HA GLU 41 HA GLU 41 29.335 -19.193 15.779 314 HB2 GLU 41 HB2 GLU 41 28.445 -18.257 13.046 315 HB3 GLU 41 HB3 GLU 41 27.664 -19.539 13.960 316 HG2 GLU 41 HG2 GLU 41 26.869 -18.068 15.582 317 HG3 GLU 41 HG3 GLU 41 27.998 -16.798 15.113 318 H ALA 42 H ALA 42 30.939 -20.735 15.832 319 HA ALA 42 HA ALA 42 32.180 -22.521 15.158 320 HB1 ALA 42 HB1 ALA 42 30.930 -24.039 14.109 321 HB2 ALA 42 HB2 ALA 42 29.688 -22.790 14.009 322 HB3 ALA 42 HB3 ALA 42 30.794 -23.044 12.659 323 H GLY 43 H GLY 43 32.735 -19.759 14.065 324 HA2 GLY 43 HA2 GLY 43 34.448 -18.881 12.796 325 HA3 GLY 43 HA3 GLY 43 34.897 -20.522 12.356 326 H LYS 44 H LYS 44 31.657 -19.410 11.811 327 HA LYS 44 HA LYS 44 32.052 -19.720 8.945 328 HB2 LYS 44 HB2 LYS 44 29.529 -19.254 10.545 329 HB3 LYS 44 HB3 LYS 44 29.593 -19.589 8.819 330 HG2 LYS 44 HG2 LYS 44 30.472 -21.790 9.228 331 HG3 LYS 44 HG3 LYS 44 30.589 -21.459 10.958 332 HD2 LYS 44 HD2 LYS 44 27.941 -20.889 10.283 333 HD3 LYS 44 HD3 LYS 44 28.331 -22.371 9.407 334 HE2 LYS 44 HE2 LYS 44 29.069 -23.421 11.469 335 HE3 LYS 44 HE3 LYS 44 28.773 -21.928 12.359 336 HZ1 LYS 44 HZ1 LYS 44 26.426 -22.578 11.009 337 HZ2 LYS 44 HZ2 LYS 44 26.703 -22.598 12.677 338 HZ3 LYS 44 HZ3 LYS 44 26.965 -23.994 11.759 339 H GLU 45 H GLU 45 32.088 -18.099 7.506 340 HA GLU 45 HA GLU 45 32.108 -15.383 8.497 341 HB2 GLU 45 HB2 GLU 45 32.714 -16.655 5.842 342 HB3 GLU 45 HB3 GLU 45 32.568 -14.910 5.996 343 HG2 GLU 45 HG2 GLU 45 34.885 -15.597 6.120 344 HG3 GLU 45 HG3 GLU 45 34.359 -14.899 7.650 345 H SER 46 H SER 46 30.464 -14.003 8.433 346 HA SER 46 HA SER 46 28.184 -14.624 6.669 347 HB2 SER 46 HB2 SER 46 27.079 -13.110 8.666 348 HB3 SER 46 HB3 SER 46 27.049 -14.872 8.610 349 HG SER 46 HG SER 46 27.887 -14.359 10.572 350 H CYS 47 H CYS 47 27.504 -13.057 5.340 351 HA CYS 47 HA CYS 47 28.735 -10.398 5.631 352 HB2 CYS 47 HB2 CYS 47 28.425 -12.181 3.366 353 HB3 CYS 47 HB3 CYS 47 27.713 -10.605 3.036 354 H PHE 48 H PHE 48 27.430 -8.789 6.170 355 HA PHE 48 HA PHE 48 24.542 -9.103 5.699 356 HB2 PHE 48 HB2 PHE 48 24.431 -7.245 7.504 357 HB3 PHE 48 HB3 PHE 48 24.802 -8.890 8.011 358 HD1 PHE 48 HD2 PHE 48 27.081 -9.501 8.669 359 HD2 PHE 48 HD1 PHE 48 26.040 -5.493 7.684 360 HE1 PHE 48 HE2 PHE 48 29.147 -8.705 9.741 361 HE2 PHE 48 HE1 PHE 48 28.105 -4.690 8.753 362 HZ PHE 48 HZ PHE 48 29.661 -6.296 9.785 363 H CYS 49 H CYS 49 23.482 -7.675 4.461 364 HA CYS 49 HA CYS 49 24.904 -5.229 3.640 365 HB2 CYS 49 HB2 CYS 49 23.025 -6.583 1.751 366 HB3 CYS 49 HB3 CYS 49 24.409 -5.551 1.405 367 H TYR 50 H TYR 50 23.638 -3.398 3.253 368 HA TYR 50 HA TYR 50 20.840 -3.594 4.158 369 HB2 TYR 50 HB2 TYR 50 22.803 -1.360 4.711 370 HB3 TYR 50 HB3 TYR 50 21.103 -1.354 5.166 371 HD1 TYR 50 HD1 TYR 50 20.298 -2.747 6.993 372 HD2 TYR 50 HD2 TYR 50 24.412 -2.725 5.908 373 HE1 TYR 50 HE1 TYR 50 20.858 -3.852 9.118 374 HE2 TYR 50 HE2 TYR 50 24.984 -3.830 8.029 375 HH TYR 50 HH TYR 50 23.126 -3.915 10.617 376 H PHE 51 H PHE 51 19.334 -2.671 2.900 377 HA PHE 51 HA PHE 51 20.042 -0.614 0.985 378 HB2 PHE 51 HB2 PHE 51 19.169 -1.837 -0.951 379 HB3 PHE 51 HB3 PHE 51 20.545 -2.680 -0.245 380 HD1 PHE 51 HD1 PHE 51 20.065 -4.627 1.323 381 HD2 PHE 51 HD2 PHE 51 17.138 -2.926 -1.257 382 HE1 PHE 51 HE1 PHE 51 18.717 -6.677 1.507 383 HE2 PHE 51 HE2 PHE 51 15.784 -4.973 -1.077 384 HZ PHE 51 HZ PHE 51 16.573 -6.852 0.307 385 H ASP 52 H ASP 52 18.190 0.406 0.020 386 HA ASP 52 HA ASP 52 15.893 0.355 1.793 387 HB2 ASP 52 HB2 ASP 52 15.158 2.307 0.316 388 HB3 ASP 52 HB3 ASP 52 16.620 2.542 1.270 389 H CYS 53 H CYS 53 14.075 -0.710 1.393 390 HA CYS 53 HA CYS 53 13.569 -1.625 -1.362 391 HB2 CYS 53 HB2 CYS 53 12.222 -3.451 -0.268 392 HB3 CYS 53 HB3 CYS 53 13.954 -3.525 0.039 393 H SER 54 H SER 54 11.398 -1.655 -2.110 394 HA SER 54 HA SER 54 9.392 -0.653 -2.508 395 HB2 SER 54 HB2 SER 54 9.347 -1.165 0.446 396 HB3 SER 54 HB3 SER 54 8.014 -0.288 -0.305 397 HG SER 54 HG SER 54 7.716 -2.597 -0.206 398 H LYS 55 H LYS 55 11.734 1.058 -2.112 399 HA LYS 55 HA LYS 55 12.217 3.282 -2.105 400 HB2 LYS 55 HB2 LYS 55 9.250 3.781 -1.868 401 HB3 LYS 55 HB3 LYS 55 10.473 4.867 -2.515 402 HG2 LYS 55 HG2 LYS 55 10.104 4.070 -4.542 403 HG3 LYS 55 HG3 LYS 55 10.589 2.461 -4.003 404 HD2 LYS 55 HD2 LYS 55 8.354 2.412 -4.975 405 HD3 LYS 55 HD3 LYS 55 8.295 2.028 -3.253 406 HE2 LYS 55 HE2 LYS 55 6.831 3.669 -2.952 407 HE3 LYS 55 HE3 LYS 55 8.034 4.833 -3.505 408 HZ1 LYS 55 HZ1 LYS 55 6.548 5.222 -5.113 409 HZ2 LYS 55 HZ2 LYS 55 5.741 3.752 -4.890 410 HZ3 LYS 55 HZ3 LYS 55 7.153 3.809 -5.821 411 H SER 56 H SER 56 13.019 2.586 0.094 412 HA SER 56 HA SER 56 11.691 2.986 2.476 413 HB2 SER 56 HB2 SER 56 13.903 1.984 2.405 414 HB3 SER 56 HB3 SER 56 14.607 3.501 1.845 415 HG SER 56 HG SER 56 14.413 4.342 3.813 416 HA PRO 57 HA PRO 57 10.919 7.308 2.767 417 HB2 PRO 57 HB2 PRO 57 10.754 7.540 5.467 418 HB3 PRO 57 HB3 PRO 57 9.490 6.784 4.489 419 HG2 PRO 57 HG2 PRO 57 11.673 5.499 6.084 420 HG3 PRO 57 HG3 PRO 57 9.965 5.041 5.953 421 HD2 PRO 57 HD2 PRO 57 11.923 3.772 4.579 422 HD3 PRO 57 HD3 PRO 57 10.278 3.964 3.940 423 HA PRO 58 HA PRO 58 14.613 9.534 3.624 424 HB2 PRO 58 HB2 PRO 58 13.689 11.835 4.730 425 HB3 PRO 58 HB3 PRO 58 13.500 11.450 3.016 426 HG2 PRO 58 HG2 PRO 58 11.526 11.169 5.249 427 HG3 PRO 58 HG3 PRO 58 11.275 11.783 3.604 428 HD2 PRO 58 HD2 PRO 58 10.587 9.270 4.343 429 HD3 PRO 58 HD3 PRO 58 11.134 9.667 2.701 430 H GLY 59 H GLY 59 15.168 7.876 5.307 431 HA2 GLY 59 HA2 GLY 59 16.478 7.993 7.321 432 HA3 GLY 59 HA3 GLY 59 15.359 9.205 7.928 433 H ALA 60 H ALA 60 16.141 5.894 7.807 434 HA ALA 60 HA ALA 60 14.228 5.245 9.809 435 HB1 ALA 60 HB1 ALA 60 13.586 3.398 7.713 436 HB2 ALA 60 HB2 ALA 60 12.516 4.445 8.645 437 HB3 ALA 60 HB3 ALA 60 13.281 5.050 7.175 438 H THR 61 H THR 61 14.085 2.542 9.633 439 HA THR 61 HA THR 61 16.834 1.585 9.275 440 HB THR 61 HB THR 61 16.079 0.212 11.519 441 HG1 THR 61 HG1 THR 61 15.490 2.142 12.916 442 HG21 THR 61 HG21 THR 61 18.176 0.918 11.851 443 HG22 THR 61 HG22 THR 61 17.469 2.385 12.526 444 HG23 THR 61 HG23 THR 61 17.940 2.334 10.828 445 HA PRO 62 HA PRO 62 15.036 -2.044 7.585 446 HB2 PRO 62 HB2 PRO 62 16.730 -3.982 8.449 447 HB3 PRO 62 HB3 PRO 62 17.170 -2.806 7.205 448 HG2 PRO 62 HG2 PRO 62 17.829 -2.811 10.125 449 HG3 PRO 62 HG3 PRO 62 18.871 -2.425 8.744 450 HD2 PRO 62 HD2 PRO 62 17.720 -0.514 10.278 451 HD3 PRO 62 HD3 PRO 62 18.030 -0.288 8.545 452 H ALA 63 H ALA 63 14.429 -4.398 8.214 453 HA ALA 63 HA ALA 63 13.244 -4.351 10.913 454 HB1 ALA 63 HB1 ALA 63 11.646 -4.172 8.978 455 HB2 ALA 63 HB2 ALA 63 12.114 -5.815 8.539 456 HB3 ALA 63 HB3 ALA 63 11.341 -5.504 10.093 457 HA PRO 64 HA PRO 64 16.180 -7.960 10.617 458 HB2 PRO 64 HB2 PRO 64 17.404 -7.476 12.991 459 HB3 PRO 64 HB3 PRO 64 17.928 -6.739 11.473 460 HG2 PRO 64 HG2 PRO 64 16.228 -5.587 13.651 461 HG3 PRO 64 HG3 PRO 64 17.548 -4.828 12.742 462 HD2 PRO 64 HD2 PRO 64 14.939 -4.377 12.172 463 HD3 PRO 64 HD3 PRO 64 16.203 -4.372 10.926 464 HA PRO 65 HA PRO 65 13.899 -10.628 13.265 465 HB2 PRO 65 HB2 PRO 65 15.797 -12.344 14.170 466 HB3 PRO 65 HB3 PRO 65 15.205 -12.359 12.505 467 HG2 PRO 65 HG2 PRO 65 17.701 -11.136 13.616 468 HG3 PRO 65 HG3 PRO 65 17.480 -12.066 12.123 469 HD2 PRO 65 HD2 PRO 65 17.634 -9.363 12.147 470 HD3 PRO 65 HD3 PRO 65 16.648 -10.253 10.968 471 H GLY 66 H GLY 66 13.559 -8.767 14.782 472 HA2 GLY 66 HA2 GLY 66 13.546 -7.869 16.897 473 HA3 GLY 66 HA3 GLY 66 13.873 -9.512 17.426 474 H ALA 67 H ALA 67 15.963 -7.430 15.480 475 HA ALA 67 HA ALA 67 17.663 -6.731 17.675 476 HB1 ALA 67 HB1 ALA 67 18.408 -9.007 15.886 477 HB2 ALA 67 HB2 ALA 67 19.659 -7.968 16.568 478 HB3 ALA 67 HB3 ALA 67 18.572 -8.855 17.636 479 H ALA 68 H ALA 68 17.469 -4.644 16.888 480 HA ALA 68 HA ALA 68 18.752 -4.136 14.282 481 HB1 ALA 68 HB1 ALA 68 17.282 -2.427 13.826 482 HB2 ALA 68 HB2 ALA 68 16.237 -3.560 14.684 483 HB3 ALA 68 HB3 ALA 68 16.897 -2.158 15.526 484 HA PRO 69 HA PRO 69 21.419 -2.280 17.602 485 HB2 PRO 69 HB2 PRO 69 23.759 -3.142 16.529 486 HB3 PRO 69 HB3 PRO 69 22.789 -4.124 17.634 487 HG2 PRO 69 HG2 PRO 69 22.940 -4.225 14.646 488 HG3 PRO 69 HG3 PRO 69 22.906 -5.562 15.810 489 HD2 PRO 69 HD2 PRO 69 20.714 -4.777 14.429 490 HD3 PRO 69 HD3 PRO 69 20.620 -5.441 16.073 491 HA PRO 70 HA PRO 70 22.641 1.289 15.344 492 HB2 PRO 70 HB2 PRO 70 24.990 1.971 16.522 493 HB3 PRO 70 HB3 PRO 70 23.423 2.165 17.318 494 HG2 PRO 70 HG2 PRO 70 25.451 -0.014 17.634 495 HG3 PRO 70 HG3 PRO 70 24.508 0.826 18.879 496 HD2 PRO 70 HD2 PRO 70 23.842 -1.632 17.956 497 HD3 PRO 70 HD3 PRO 70 22.629 -0.453 18.496 498 HA PRO 71 HA PRO 71 25.465 0.429 12.086 499 HB2 PRO 71 HB2 PRO 71 26.563 2.860 11.583 500 HB3 PRO 71 HB3 PRO 71 24.892 2.456 11.169 501 HG2 PRO 71 HG2 PRO 71 25.946 3.969 13.527 502 HG3 PRO 71 HG3 PRO 71 24.537 4.322 12.510 503 HD2 PRO 71 HD2 PRO 71 24.323 3.141 14.938 504 HD3 PRO 71 HD3 PRO 71 23.207 2.789 13.602 505 H ALA 72 H ALA 72 27.835 0.989 11.349 506 HA ALA 72 HA ALA 72 29.722 1.388 13.487 507 HB1 ALA 72 HB1 ALA 72 28.862 -1.120 13.416 508 HB2 ALA 72 HB2 ALA 72 30.087 -1.236 12.152 509 HB3 ALA 72 HB3 ALA 72 30.541 -0.716 13.775 510 H ALA 73 H ALA 73 29.125 2.620 10.950 511 HA ALA 73 HA ALA 73 30.282 3.591 9.242 512 HB1 ALA 73 HB1 ALA 73 32.871 2.520 9.375 513 HB2 ALA 73 HB2 ALA 73 32.319 4.087 9.968 514 HB3 ALA 73 HB3 ALA 73 32.323 2.689 11.043 515 H GLY 74 H GLY 74 32.136 0.565 9.424 516 HA2 GLY 74 HA2 GLY 74 32.267 -1.221 7.980 517 HA3 GLY 74 HA3 GLY 74 30.692 -0.750 7.359 518 H GLY 75 H GLY 75 33.898 -1.117 6.587 519 HA2 GLY 75 HA2 GLY 75 34.058 1.039 4.655 520 HA3 GLY 75 HA3 GLY 75 35.274 -0.194 4.947 521 H SER 76 H SER 76 35.411 -1.890 3.593 522 HA SER 76 HA SER 76 35.101 -3.115 1.698 523 HB2 SER 76 HB2 SER 76 32.220 -2.820 2.575 524 HB3 SER 76 HB3 SER 76 32.761 -3.922 1.310 525 HG SER 76 HG SER 76 32.633 -4.997 3.299 526 HA PRO 77 HA PRO 77 34.110 0.710 -0.757 527 HB2 PRO 77 HB2 PRO 77 36.482 0.765 -2.077 528 HB3 PRO 77 HB3 PRO 77 36.241 1.530 -0.502 529 HG2 PRO 77 HG2 PRO 77 37.479 -1.117 -1.153 530 HG3 PRO 77 HG3 PRO 77 38.018 0.117 0.001 531 HD2 PRO 77 HD2 PRO 77 36.671 -2.104 0.766 532 HD3 PRO 77 HD3 PRO 77 36.511 -0.551 1.612 533 H SER 78 H SER 78 34.294 0.937 -3.200 534 HA SER 78 HA SER 78 34.417 -1.580 -4.651 535 HB2 SER 78 HB2 SER 78 32.158 -1.131 -5.694 536 HB3 SER 78 HB3 SER 78 32.111 -1.624 -4.001 537 HG SER 78 HG SER 78 30.863 0.353 -4.829 538 HA PRO 79 HA PRO 79 36.036 2.127 -6.937 539 HB2 PRO 79 HB2 PRO 79 38.380 0.956 -7.649 540 HB3 PRO 79 HB3 PRO 79 38.157 1.805 -6.114 541 HG2 PRO 79 HG2 PRO 79 38.074 -1.133 -6.683 542 HG3 PRO 79 HG3 PRO 79 38.837 -0.276 -5.331 543 HD2 PRO 79 HD2 PRO 79 36.441 -1.516 -5.104 544 HD3 PRO 79 HD3 PRO 79 36.849 -0.052 -4.187 545 HA PRO 80 HA PRO 80 35.039 0.699 -10.975 546 HB2 PRO 80 HB2 PRO 80 36.794 2.054 -12.542 547 HB3 PRO 80 HB3 PRO 80 35.430 2.833 -11.733 548 HG2 PRO 80 HG2 PRO 80 38.309 2.735 -10.920 549 HG3 PRO 80 HG3 PRO 80 37.183 4.105 -10.886 550 HD2 PRO 80 HD2 PRO 80 37.800 2.670 -8.674 551 HD3 PRO 80 HD3 PRO 80 36.206 3.414 -8.916 552 H ALA 81 H ALA 81 35.598 -1.494 -10.886 553 HA ALA 81 HA ALA 81 37.566 -2.359 -12.691 554 HB1 ALA 81 HB1 ALA 81 39.308 -1.942 -11.240 555 HB2 ALA 81 HB2 ALA 81 38.356 -2.346 -9.811 556 HB3 ALA 81 HB3 ALA 81 38.935 -3.627 -10.875 557 H ASP 82 H ASP 82 35.698 -3.498 -13.362 558 HA ASP 82 HA ASP 82 35.274 -5.980 -11.862 559 HB2 ASP 82 HB2 ASP 82 33.425 -4.341 -11.365 560 HB3 ASP 82 HB3 ASP 82 32.995 -4.408 -13.071 561 H GLY 83 H GLY 83 34.505 -7.749 -13.145 562 HA2 GLY 83 HA2 GLY 83 33.846 -7.797 -15.800 563 HA3 GLY 83 HA3 GLY 83 35.602 -7.725 -15.798 564 H GLY 84 H GLY 84 32.818 -9.688 -15.275 565 HA2 GLY 84 HA2 GLY 84 32.765 -12.023 -15.454 566 HA3 GLY 84 HA3 GLY 84 34.511 -12.056 -15.250 567 H SER 85 H SER 85 35.278 -12.723 -13.355 568 HA SER 85 HA SER 85 35.340 -13.496 -11.216 569 HB2 SER 85 HB2 SER 85 35.140 -11.131 -10.655 570 HB3 SER 85 HB3 SER 85 33.385 -11.222 -10.792 571 HG SER 85 HG SER 85 34.922 -11.767 -8.678 572 HA PRO 86 HA PRO 86 31.364 -15.834 -11.909 573 HB2 PRO 86 HB2 PRO 86 32.550 -18.261 -12.185 574 HB3 PRO 86 HB3 PRO 86 32.301 -17.154 -13.540 575 HG2 PRO 86 HG2 PRO 86 34.770 -17.635 -11.917 576 HG3 PRO 86 HG3 PRO 86 34.604 -17.445 -13.673 577 HD2 PRO 86 HD2 PRO 86 35.441 -15.436 -12.062 578 HD3 PRO 86 HD3 PRO 86 34.501 -15.146 -13.540 579 HA PRO 87 HA PRO 87 31.029 -17.373 -7.804 580 HB2 PRO 87 HB2 PRO 87 29.493 -19.590 -8.116 581 HB3 PRO 87 HB3 PRO 87 28.858 -17.949 -8.288 582 HG2 PRO 87 HG2 PRO 87 29.706 -19.884 -10.409 583 HG3 PRO 87 HG3 PRO 87 28.284 -18.825 -10.364 584 HD2 PRO 87 HD2 PRO 87 30.510 -18.216 -11.781 585 HD3 PRO 87 HD3 PRO 87 29.485 -16.975 -11.033 586 HA PRO 88 HA PRO 88 33.947 -20.525 -6.862 587 HB2 PRO 88 HB2 PRO 88 32.858 -21.721 -4.681 588 HB3 PRO 88 HB3 PRO 88 33.560 -20.099 -4.637 589 HG2 PRO 88 HG2 PRO 88 30.687 -20.914 -4.846 590 HG3 PRO 88 HG3 PRO 88 31.418 -19.635 -3.860 591 HD2 PRO 88 HD2 PRO 88 30.152 -19.127 -6.199 592 HD3 PRO 88 HD3 PRO 88 31.527 -18.160 -5.628 593 HA PRO 89 HA PRO 89 32.895 -24.454 -8.531 594 HB2 PRO 89 HB2 PRO 89 34.397 -26.160 -7.046 595 HB3 PRO 89 HB3 PRO 89 35.091 -25.067 -8.248 596 HG2 PRO 89 HG2 PRO 89 34.932 -24.757 -5.275 597 HG3 PRO 89 HG3 PRO 89 36.287 -24.410 -6.365 598 HD2 PRO 89 HD2 PRO 89 34.657 -22.473 -5.405 599 HD3 PRO 89 HD3 PRO 89 35.413 -22.377 -7.009 600 H ALA 90 H ALA 90 32.352 -23.874 -5.163 601 HA ALA 90 HA ALA 90 30.800 -24.655 -3.693 602 HB1 ALA 90 HB1 ALA 90 29.427 -24.430 -5.925 603 HB2 ALA 90 HB2 ALA 90 29.382 -26.190 -5.812 604 HB3 ALA 90 HB3 ALA 90 28.731 -25.205 -4.502 605 H ASP 91 H ASP 91 30.021 -26.626 -2.621 606 HA ASP 91 HA ASP 91 31.198 -29.139 -3.466 607 HB2 ASP 91 HB2 ASP 91 32.654 -27.515 -1.743 608 HB3 ASP 91 HB3 ASP 91 31.861 -28.665 -0.670 609 H GLY 92 H GLY 92 30.493 -30.959 -2.119 610 HA2 GLY 92 HA2 GLY 92 28.497 -30.618 -0.117 611 HA3 GLY 92 HA3 GLY 92 27.764 -30.992 -1.670 612 H GLY 93 H GLY 93 28.368 -32.416 1.072 613 HA2 GLY 93 HA2 GLY 93 28.019 -34.983 0.500 614 HA3 GLY 93 HA3 GLY 93 29.715 -34.805 0.077 615 H SER 94 H SER 94 29.852 -36.517 1.783 616 HA SER 94 HA SER 94 30.748 -35.324 4.227 617 HB2 SER 94 HB2 SER 94 28.367 -35.440 4.751 618 HB3 SER 94 HB3 SER 94 28.332 -37.149 4.315 619 HG SER 94 HG SER 94 28.784 -36.190 6.671 620 HA PRO 95 HA PRO 95 32.659 -35.202 4.257 621 HB2 PRO 95 HB2 PRO 95 34.970 -35.508 2.864 622 HB3 PRO 95 HB3 PRO 95 34.802 -35.974 4.561 623 HG2 PRO 95 HG2 PRO 95 34.675 -37.683 2.106 624 HG3 PRO 95 HG3 PRO 95 35.488 -38.001 3.650 625 HD2 PRO 95 HD2 PRO 95 33.089 -39.085 3.016 626 HD3 PRO 95 HD3 PRO 95 33.538 -38.669 4.682 627 HA PRO 96 HA PRO 96 31.423 -33.481 0.402 628 HB2 PRO 96 HB2 PRO 96 32.950 -31.240 0.291 629 HB3 PRO 96 HB3 PRO 96 31.584 -31.417 1.398 630 HG2 PRO 96 HG2 PRO 96 34.510 -31.757 1.932 631 HG3 PRO 96 HG3 PRO 96 33.279 -30.948 2.919 632 HD2 PRO 96 HD2 PRO 96 34.160 -33.453 3.452 633 HD3 PRO 96 HD3 PRO 96 32.498 -32.932 3.795 634 H VAL 97 H VAL 97 31.900 -33.897 -1.665 635 HA VAL 97 HA VAL 97 34.635 -33.710 -2.629 636 HB VAL 97 HB VAL 97 34.449 -35.988 -3.720 637 HG11 VAL 97 HG11 VAL 97 35.743 -35.317 -1.574 638 HG12 VAL 97 HG12 VAL 97 34.517 -36.277 -0.744 639 HG13 VAL 97 HG13 VAL 97 35.546 -37.025 -1.966 640 HG21 VAL 97 HG21 VAL 97 32.952 -37.610 -2.799 641 HG22 VAL 97 HG22 VAL 97 32.371 -36.466 -1.589 642 HG23 VAL 97 HG23 VAL 97 31.997 -36.213 -3.294 643 H ASP 98 H ASP 98 34.719 -33.033 -4.691 644 HA ASP 98 HA ASP 98 32.632 -33.570 -6.585 645 HB2 ASP 98 HB2 ASP 98 32.574 -31.104 -5.037 646 HB3 ASP 98 HB3 ASP 98 32.670 -30.796 -6.768 647 H GLY 99 H GLY 99 34.834 -30.795 -6.238 648 HA2 GLY 99 HA2 GLY 99 37.083 -31.425 -7.468 649 HA3 GLY 99 HA3 GLY 99 35.987 -31.459 -8.841 650 H GLY 100 H GLY 100 37.384 -29.765 -9.701 651 HA2 GLY 100 HA2 GLY 100 36.581 -27.381 -10.145 652 HA3 GLY 100 HA3 GLY 100 36.925 -27.140 -8.439 653 H SER 101 H SER 101 39.298 -28.900 -8.562 654 HA SER 101 HA SER 101 41.550 -28.638 -8.766 655 HB2 SER 101 HB2 SER 101 40.467 -27.954 -11.453 656 HB3 SER 101 HB3 SER 101 42.158 -27.560 -11.140 657 HG SER 101 HG SER 101 42.540 -29.718 -10.665 658 HA PRO 102 HA PRO 102 41.240 -24.162 -7.558 659 HB2 PRO 102 HB2 PRO 102 42.290 -24.516 -5.080 660 HB3 PRO 102 HB3 PRO 102 40.567 -24.703 -5.428 661 HG2 PRO 102 HG2 PRO 102 42.683 -26.803 -5.154 662 HG3 PRO 102 HG3 PRO 102 41.027 -26.794 -4.521 663 HD2 PRO 102 HD2 PRO 102 41.725 -28.152 -6.757 664 HD3 PRO 102 HD3 PRO 102 40.117 -27.430 -6.541 665 HA PRO 103 HA PRO 103 42.228 -22.648 -5.790 666 HB2 PRO 103 HB2 PRO 103 43.179 -20.228 -6.570 667 HB3 PRO 103 HB3 PRO 103 43.918 -21.179 -5.276 668 HG2 PRO 103 HG2 PRO 103 44.740 -20.919 -8.143 669 HG3 PRO 103 HG3 PRO 103 45.750 -20.918 -6.685 670 HD2 PRO 103 HD2 PRO 103 45.466 -23.103 -8.260 671 HD3 PRO 103 HD3 PRO 103 45.711 -23.216 -6.505 672 HA PRO 104 HA PRO 104 39.254 -21.550 -8.836 673 HB2 PRO 104 HB2 PRO 104 38.157 -19.285 -7.818 674 HB3 PRO 104 HB3 PRO 104 37.872 -20.886 -7.125 675 HG2 PRO 104 HG2 PRO 104 39.775 -18.751 -6.241 676 HG3 PRO 104 HG3 PRO 104 38.717 -19.782 -5.261 677 HD2 PRO 104 HD2 PRO 104 41.362 -20.277 -5.560 678 HD3 PRO 104 HD3 PRO 104 40.165 -21.572 -5.352 679 HA PRO 105 HA PRO 105 40.710 -18.572 -11.725 680 HB2 PRO 105 HB2 PRO 105 38.412 -17.596 -12.793 681 HB3 PRO 105 HB3 PRO 105 39.010 -19.226 -13.126 682 HG2 PRO 105 HG2 PRO 105 36.901 -18.340 -11.195 683 HG3 PRO 105 HG3 PRO 105 36.898 -19.731 -12.295 684 HD2 PRO 105 HD2 PRO 105 37.457 -19.962 -9.655 685 HD3 PRO 105 HD3 PRO 105 38.196 -21.010 -10.883 686 H SER 106 H SER 106 38.003 -17.331 -9.773 687 HA SER 106 HA SER 106 39.271 -14.674 -9.824 688 HB2 SER 106 HB2 SER 106 37.102 -14.384 -10.655 689 HB3 SER 106 HB3 SER 106 36.412 -15.558 -9.534 690 HG SER 106 HG SER 106 36.033 -13.956 -8.248 691 H THR 107 H THR 107 40.235 -13.997 -8.037 692 HA THR 107 HA THR 107 39.166 -14.431 -5.428 693 HB THR 107 HB THR 107 40.139 -16.625 -5.629 694 HG1 THR 107 HG1 THR 107 40.555 -16.043 -3.601 695 HG21 THR 107 HG21 THR 107 42.424 -17.038 -6.200 696 HG22 THR 107 HG22 THR 107 42.792 -15.313 -6.212 697 HG23 THR 107 HG23 THR 107 41.746 -16.000 -7.454 698 H HIS 108 H HIS 108 41.978 -13.563 -7.381 699 HA HIS 108 HA HIS 108 43.474 -11.855 -7.240 700 HB2 HIS 108 HB2 HIS 108 41.016 -10.741 -6.769 701 HB3 HIS 108 HB3 HIS 108 41.923 -10.224 -5.350 702 HD1 HIS 108 HD1 HIS 108 43.910 -8.603 -5.740 703 HD2 HIS 108 HD2 HIS 108 41.789 -9.570 -9.180 704 HE1 HIS 108 HE1 HIS 108 44.658 -6.948 -7.478 Start of MODEL 17 1 H1 ALA 1 H ALA 1 -0.233 2.172 0.637 2 HA ALA 1 HA ALA 1 2.163 3.880 0.621 3 HB1 ALA 1 HB1 ALA 1 0.208 4.056 2.541 4 HB2 ALA 1 HB2 ALA 1 1.389 2.975 3.281 5 HB3 ALA 1 HB3 ALA 1 1.883 4.574 2.725 6 H GLY 2 H GLY 2 4.058 2.823 0.804 7 HA2 GLY 2 HA2 GLY 2 4.364 0.323 2.127 8 HA3 GLY 2 HA3 GLY 2 4.273 0.094 0.387 9 H SER 3 H SER 3 6.305 0.699 2.973 10 HA SER 3 HA SER 3 8.590 0.934 1.247 11 HB2 SER 3 HB2 SER 3 7.987 3.216 3.143 12 HB3 SER 3 HB3 SER 3 9.432 3.045 2.147 13 HG SER 3 HG SER 3 7.954 4.407 1.126 14 H LYS 4 H LYS 4 10.464 0.272 2.231 15 HA LYS 4 HA LYS 4 10.832 0.163 5.042 16 HB2 LYS 4 HB2 LYS 4 10.634 -2.171 5.465 17 HB3 LYS 4 HB3 LYS 4 9.140 -1.672 4.683 18 HG2 LYS 4 HG2 LYS 4 9.431 -3.299 3.214 19 HG3 LYS 4 HG3 LYS 4 10.858 -2.451 2.614 20 HD2 LYS 4 HD2 LYS 4 11.999 -4.275 3.230 21 HD3 LYS 4 HD3 LYS 4 11.792 -3.692 4.883 22 HE2 LYS 4 HE2 LYS 4 9.442 -4.963 4.526 23 HE3 LYS 4 HE3 LYS 4 10.478 -5.928 3.475 24 HZ1 LYS 4 HZ1 LYS 4 11.165 -5.307 6.290 25 HZ2 LYS 4 HZ2 LYS 4 11.897 -6.443 5.274 26 HZ3 LYS 4 HZ3 LYS 4 10.321 -6.701 5.833 27 H LEU 5 H LEU 5 12.641 -1.815 5.352 28 HA LEU 5 HA LEU 5 14.674 -1.238 3.297 29 HB2 LEU 5 HB2 LEU 5 14.723 -0.616 6.016 30 HB3 LEU 5 HB3 LEU 5 15.777 -2.018 5.850 31 HG LEU 5 HG LEU 5 16.446 -0.176 3.794 32 HD11 LEU 5 HD11 LEU 5 16.651 1.862 4.744 33 HD12 LEU 5 HD12 LEU 5 16.909 1.208 6.360 34 HD13 LEU 5 HD13 LEU 5 15.278 1.301 5.698 35 HD21 LEU 5 HD21 LEU 5 18.549 -0.064 5.363 36 HD22 LEU 5 HD22 LEU 5 18.151 -1.541 4.486 37 HD23 LEU 5 HD23 LEU 5 17.730 -1.388 6.192 38 H CYS 6 H CYS 6 15.996 -2.899 2.617 39 HA CYS 6 HA CYS 6 15.265 -5.591 3.571 40 HB2 CYS 6 HB2 CYS 6 15.962 -4.668 0.778 41 HB3 CYS 6 HB3 CYS 6 15.856 -6.362 1.246 42 H GLU 7 H GLU 7 16.865 -6.802 4.349 43 HA GLU 7 HA GLU 7 19.636 -6.032 3.707 44 HB2 GLU 7 HB2 GLU 7 20.283 -6.687 5.974 45 HB3 GLU 7 HB3 GLU 7 19.078 -5.408 6.007 46 HG2 GLU 7 HG2 GLU 7 17.361 -6.928 6.627 47 HG3 GLU 7 HG3 GLU 7 18.406 -8.318 6.337 48 H LYS 8 H LYS 8 21.039 -7.630 3.176 49 HA LYS 8 HA LYS 8 19.916 -10.339 2.968 50 HB2 LYS 8 HB2 LYS 8 21.817 -8.759 1.314 51 HB3 LYS 8 HB3 LYS 8 22.081 -10.495 1.405 52 HG2 LYS 8 HG2 LYS 8 19.517 -9.168 0.547 53 HG3 LYS 8 HG3 LYS 8 20.730 -9.855 -0.535 54 HD2 LYS 8 HD2 LYS 8 19.899 -11.904 -0.266 55 HD3 LYS 8 HD3 LYS 8 19.974 -11.760 1.492 56 HE2 LYS 8 HE2 LYS 8 17.800 -11.116 1.667 57 HE3 LYS 8 HE3 LYS 8 17.805 -10.291 0.109 58 HZ1 LYS 8 HZ1 LYS 8 17.017 -12.091 -0.899 59 HZ2 LYS 8 HZ2 LYS 8 16.696 -12.725 0.635 60 HZ3 LYS 8 HZ3 LYS 8 18.138 -13.118 -0.157 61 H THR 9 H THR 9 21.108 -12.135 3.625 62 HA THR 9 HA THR 9 23.427 -11.541 5.347 63 HB THR 9 HB THR 9 21.678 -13.914 5.868 64 HG1 THR 9 HG1 THR 9 20.130 -12.386 6.010 65 HG21 THR 9 HG21 THR 9 23.034 -14.122 7.623 66 HG22 THR 9 HG22 THR 9 22.586 -12.511 8.183 67 HG23 THR 9 HG23 THR 9 23.942 -12.715 7.074 68 H SER 10 H SER 10 24.295 -11.971 2.994 69 HA SER 10 HA SER 10 25.655 -13.267 1.709 70 HB2 SER 10 HB2 SER 10 27.017 -14.651 2.861 71 HB3 SER 10 HB3 SER 10 26.089 -14.160 4.278 72 HG SER 10 HG SER 10 26.322 -16.574 3.321 73 H LYS 11 H LYS 11 22.608 -13.615 1.915 74 HA LYS 11 HA LYS 11 21.789 -16.184 1.372 75 HB2 LYS 11 HB2 LYS 11 20.692 -13.593 1.144 76 HB3 LYS 11 HB3 LYS 11 20.434 -14.377 -0.410 77 HG2 LYS 11 HG2 LYS 11 18.526 -14.777 0.961 78 HG3 LYS 11 HG3 LYS 11 19.411 -16.295 0.794 79 HD2 LYS 11 HD2 LYS 11 20.448 -14.956 3.061 80 HD3 LYS 11 HD3 LYS 11 18.687 -14.893 3.173 81 HE2 LYS 11 HE2 LYS 11 19.885 -17.482 2.388 82 HE3 LYS 11 HE3 LYS 11 20.142 -16.964 4.053 83 HZ1 LYS 11 HZ1 LYS 11 18.090 -17.581 4.543 84 HZ2 LYS 11 HZ2 LYS 11 17.867 -18.138 2.962 85 HZ3 LYS 11 HZ3 LYS 11 17.448 -16.550 3.366 86 H THR 12 H THR 12 23.584 -14.006 -0.657 87 HA THR 12 HA THR 12 23.734 -16.112 -2.705 88 HB THR 12 HB THR 12 23.816 -14.356 -4.463 89 HG1 THR 12 HG1 THR 12 24.357 -12.542 -3.259 90 HG21 THR 12 HG21 THR 12 21.733 -15.520 -4.109 91 HG22 THR 12 HG22 THR 12 21.387 -13.818 -4.414 92 HG23 THR 12 HG23 THR 12 21.319 -14.451 -2.769 93 H TYR 13 H TYR 13 25.493 -15.177 -0.457 94 HA TYR 13 HA TYR 13 27.881 -14.557 -2.069 95 HB2 TYR 13 HB2 TYR 13 27.103 -12.756 -0.451 96 HB3 TYR 13 HB3 TYR 13 27.537 -13.861 0.847 97 HD1 TYR 13 HD1 TYR 13 29.159 -12.761 -2.344 98 HD2 TYR 13 HD2 TYR 13 29.522 -13.296 1.861 99 HE1 TYR 13 HE1 TYR 13 31.482 -11.961 -2.449 100 HE2 TYR 13 HE2 TYR 13 31.846 -12.496 1.768 101 HH TYR 13 HH TYR 13 33.680 -12.457 -0.662 102 H SER 14 H SER 14 26.386 -16.992 -0.564 103 HA SER 14 HA SER 14 28.016 -18.196 1.246 104 HB2 SER 14 HB2 SER 14 25.827 -19.041 0.099 105 HB3 SER 14 HB3 SER 14 26.931 -19.850 -1.014 106 HG SER 14 HG SER 14 26.526 -20.280 1.728 107 H GLY 15 H GLY 15 30.166 -18.324 1.214 108 HA2 GLY 15 HA2 GLY 15 31.783 -19.981 -0.011 109 HA3 GLY 15 HA3 GLY 15 31.539 -18.839 -1.324 110 H LYS 16 H LYS 16 33.765 -18.342 -1.331 111 HA LYS 16 HA LYS 16 35.334 -17.572 0.801 112 HB2 LYS 16 HB2 LYS 16 36.677 -16.298 -0.834 113 HB3 LYS 16 HB3 LYS 16 36.255 -17.902 -1.420 114 HG2 LYS 16 HG2 LYS 16 34.206 -16.222 -2.306 115 HG3 LYS 16 HG3 LYS 16 35.706 -15.333 -2.575 116 HD2 LYS 16 HD2 LYS 16 36.608 -17.424 -3.664 117 HD3 LYS 16 HD3 LYS 16 34.967 -18.069 -3.596 118 HE2 LYS 16 HE2 LYS 16 34.709 -17.109 -5.602 119 HE3 LYS 16 HE3 LYS 16 34.567 -15.601 -4.700 120 HZ1 LYS 16 HZ1 LYS 16 36.213 -15.030 -6.127 121 HZ2 LYS 16 HZ2 LYS 16 36.793 -16.609 -6.299 122 HZ3 LYS 16 HZ3 LYS 16 37.181 -15.712 -4.918 123 H CYS 17 H CYS 17 35.129 -16.014 2.254 124 HA CYS 17 HA CYS 17 33.359 -13.764 1.729 125 HB2 CYS 17 HB2 CYS 17 33.593 -15.239 3.928 126 HB3 CYS 17 HB3 CYS 17 34.835 -14.050 4.305 127 H ASP 18 H ASP 18 34.054 -11.573 2.452 128 HA ASP 18 HA ASP 18 36.724 -10.821 2.771 129 HB2 ASP 18 HB2 ASP 18 36.179 -11.582 0.121 130 HB3 ASP 18 HB3 ASP 18 36.215 -9.821 0.110 131 H ASN 19 H ASN 19 36.865 -8.369 1.611 132 HA ASN 19 HA ASN 19 34.679 -6.966 2.953 133 HB2 ASN 19 HB2 ASN 19 36.297 -4.959 2.391 134 HB3 ASN 19 HB3 ASN 19 36.644 -6.042 3.735 135 HD21 ASN 19 HD22 ASN 19 37.758 -4.738 0.831 136 HD22 ASN 19 HD21 ASN 19 39.189 -5.691 0.665 137 H LYS 20 H LYS 20 36.607 -6.342 0.016 138 HA LYS 20 HA LYS 20 34.568 -4.779 -1.195 139 HB2 LYS 20 HB2 LYS 20 37.165 -4.876 -1.619 140 HB3 LYS 20 HB3 LYS 20 36.719 -6.095 -2.806 141 HG2 LYS 20 HG2 LYS 20 35.013 -3.829 -3.115 142 HG3 LYS 20 HG3 LYS 20 36.695 -3.295 -3.089 143 HD2 LYS 20 HD2 LYS 20 36.203 -5.697 -4.701 144 HD3 LYS 20 HD3 LYS 20 35.392 -4.242 -5.287 145 HE2 LYS 20 HE2 LYS 20 37.306 -3.530 -6.157 146 HE3 LYS 20 HE3 LYS 20 38.035 -3.526 -4.551 147 HZ1 LYS 20 HZ1 LYS 20 37.890 -5.911 -6.313 148 HZ2 LYS 20 HZ2 LYS 20 38.716 -5.785 -4.842 149 HZ3 LYS 20 HZ3 LYS 20 39.243 -4.902 -6.186 150 H LYS 21 H LYS 21 35.531 -8.153 -1.443 151 HA LYS 21 HA LYS 21 34.013 -8.860 -3.692 152 HB2 LYS 21 HB2 LYS 21 34.863 -10.497 -1.299 153 HB3 LYS 21 HB3 LYS 21 34.121 -11.183 -2.738 154 HG2 LYS 21 HG2 LYS 21 36.747 -9.715 -2.607 155 HG3 LYS 21 HG3 LYS 21 36.518 -11.452 -2.822 156 HD2 LYS 21 HD2 LYS 21 36.732 -10.919 -5.009 157 HD3 LYS 21 HD3 LYS 21 35.016 -10.534 -4.856 158 HE2 LYS 21 HE2 LYS 21 35.455 -8.443 -5.455 159 HE3 LYS 21 HE3 LYS 21 36.456 -8.256 -4.016 160 HZ1 LYS 21 HZ1 LYS 21 37.725 -9.644 -6.214 161 HZ2 LYS 21 HZ2 LYS 21 38.334 -8.436 -5.200 162 HZ3 LYS 21 HZ3 LYS 21 37.363 -8.020 -6.521 163 H CYS 22 H CYS 22 33.187 -8.826 -0.247 164 HA CYS 22 HA CYS 22 30.588 -9.918 -0.573 165 HB2 CYS 22 HB2 CYS 22 31.524 -10.078 1.593 166 HB3 CYS 22 HB3 CYS 22 31.919 -8.363 1.637 167 H ASP 23 H ASP 23 31.632 -6.578 0.125 168 HA ASP 23 HA ASP 23 29.161 -5.347 -0.092 169 HB2 ASP 23 HB2 ASP 23 31.511 -4.405 0.582 170 HB3 ASP 23 HB3 ASP 23 31.615 -3.970 -1.122 171 H LYS 24 H LYS 24 31.554 -5.976 -2.635 172 HA LYS 24 HA LYS 24 30.107 -4.740 -4.724 173 HB2 LYS 24 HB2 LYS 24 32.450 -5.141 -5.015 174 HB3 LYS 24 HB3 LYS 24 32.250 -6.866 -4.733 175 HG2 LYS 24 HG2 LYS 24 31.016 -7.085 -6.813 176 HG3 LYS 24 HG3 LYS 24 31.150 -5.347 -7.090 177 HD2 LYS 24 HD2 LYS 24 33.318 -5.483 -7.735 178 HD3 LYS 24 HD3 LYS 24 33.681 -6.791 -6.606 179 HE2 LYS 24 HE2 LYS 24 33.255 -8.379 -8.132 180 HE3 LYS 24 HE3 LYS 24 31.827 -7.543 -8.740 181 HZ1 LYS 24 HZ1 LYS 24 33.877 -7.819 -10.258 182 HZ2 LYS 24 HZ2 LYS 24 34.512 -6.520 -9.381 183 HZ3 LYS 24 HZ3 LYS 24 33.066 -6.334 -10.238 184 H LYS 25 H LYS 25 30.411 -8.160 -3.781 185 HA LYS 25 HA LYS 25 28.674 -9.195 -5.725 186 HB2 LYS 25 HB2 LYS 25 30.271 -10.497 -4.267 187 HB3 LYS 25 HB3 LYS 25 29.108 -10.327 -2.959 188 HG2 LYS 25 HG2 LYS 25 27.891 -12.018 -3.717 189 HG3 LYS 25 HG3 LYS 25 27.844 -11.340 -5.346 190 HD2 LYS 25 HD2 LYS 25 30.387 -12.226 -5.279 191 HD3 LYS 25 HD3 LYS 25 29.628 -13.389 -4.189 192 HE2 LYS 25 HE2 LYS 25 28.002 -13.964 -5.895 193 HE3 LYS 25 HE3 LYS 25 28.672 -12.743 -6.977 194 HZ1 LYS 25 HZ1 LYS 25 30.322 -14.960 -5.927 195 HZ2 LYS 25 HZ2 LYS 25 30.621 -13.969 -7.264 196 HZ3 LYS 25 HZ3 LYS 25 29.395 -15.133 -7.331 197 H CYS 26 H CYS 26 28.051 -7.445 -2.835 198 HA CYS 26 HA CYS 26 25.389 -8.381 -2.392 199 HB2 CYS 26 HB2 CYS 26 27.034 -6.094 -1.369 200 HB3 CYS 26 HB3 CYS 26 25.299 -6.119 -1.069 201 H ILE 27 H ILE 27 26.700 -5.357 -3.748 202 HA ILE 27 HA ILE 27 24.109 -4.492 -4.646 203 HB ILE 27 HB ILE 27 26.779 -3.355 -5.465 204 HG12 ILE 27 HG12 ILE 27 25.494 -1.828 -3.411 205 HG13 ILE 27 HG13 ILE 27 25.664 -3.491 -2.858 206 HG21 ILE 27 HG21 ILE 27 25.315 -1.247 -5.538 207 HG22 ILE 27 HG22 ILE 27 25.133 -2.430 -6.832 208 HG23 ILE 27 HG23 ILE 27 23.951 -2.365 -5.525 209 HD11 ILE 27 HD11 ILE 27 27.733 -1.462 -3.447 210 HD12 ILE 27 HD12 ILE 27 27.654 -2.669 -2.163 211 HD13 ILE 27 HD13 ILE 27 28.117 -3.147 -3.796 212 H GLU 28 H GLU 28 26.558 -6.508 -5.884 213 HA GLU 28 HA GLU 28 25.948 -6.058 -8.671 214 HB2 GLU 28 HB2 GLU 28 27.755 -7.925 -7.173 215 HB3 GLU 28 HB3 GLU 28 27.394 -8.221 -8.868 216 HG2 GLU 28 HG2 GLU 28 28.153 -5.470 -8.396 217 HG3 GLU 28 HG3 GLU 28 29.392 -6.602 -7.856 218 H TRP 29 H TRP 29 25.323 -8.570 -6.253 219 HA TRP 29 HA TRP 29 23.491 -9.881 -8.138 220 HB2 TRP 29 HB2 TRP 29 24.872 -10.844 -5.637 221 HB3 TRP 29 HB3 TRP 29 23.537 -11.732 -6.367 222 HD1 TRP 29 HD1 TRP 29 26.336 -10.030 -8.395 223 HE1 TRP 29 HE1 TRP 29 27.612 -11.850 -9.693 224 HE3 TRP 29 HE3 TRP 29 24.059 -14.168 -6.439 225 HZ2 TRP 29 HZ2 TRP 29 27.648 -14.667 -9.865 226 HZ3 TRP 29 HZ3 TRP 29 24.772 -16.388 -7.224 227 HH2 TRP 29 HH2 TRP 29 26.529 -16.630 -8.902 228 H GLU 30 H GLU 30 23.674 -8.861 -4.730 229 HA GLU 30 HA GLU 30 20.814 -9.132 -4.408 230 HB2 GLU 30 HB2 GLU 30 22.552 -7.743 -2.410 231 HB3 GLU 30 HB3 GLU 30 21.157 -8.779 -2.144 232 HG2 GLU 30 HG2 GLU 30 22.524 -10.715 -2.878 233 HG3 GLU 30 HG3 GLU 30 23.919 -9.641 -2.965 234 H LYS 31 H LYS 31 22.761 -6.851 -5.786 235 HA LYS 31 HA LYS 31 22.606 -4.607 -6.212 236 HB2 LYS 31 HB2 LYS 31 19.631 -5.083 -6.134 237 HB3 LYS 31 HB3 LYS 31 20.523 -3.950 -7.141 238 HG2 LYS 31 HG2 LYS 31 20.458 -6.947 -7.377 239 HG3 LYS 31 HG3 LYS 31 19.817 -5.759 -8.515 240 HD2 LYS 31 HD2 LYS 31 22.726 -6.159 -7.815 241 HD3 LYS 31 HD3 LYS 31 21.936 -6.678 -9.306 242 HE2 LYS 31 HE2 LYS 31 22.334 -3.849 -8.344 243 HE3 LYS 31 HE3 LYS 31 23.121 -4.625 -9.717 244 HZ1 LYS 31 HZ1 LYS 31 21.479 -3.746 -10.912 245 HZ2 LYS 31 HZ2 LYS 31 20.536 -3.393 -9.553 246 HZ3 LYS 31 HZ3 LYS 31 20.478 -4.936 -10.245 247 H ALA 32 H ALA 32 22.777 -5.210 -3.427 248 HA ALA 32 HA ALA 32 20.885 -3.578 -2.006 249 HB1 ALA 32 HB1 ALA 32 21.967 -5.565 -1.001 250 HB2 ALA 32 HB2 ALA 32 23.506 -4.702 -1.027 251 HB3 ALA 32 HB3 ALA 32 22.174 -4.100 -0.040 252 H GLN 33 H GLN 33 22.325 -2.145 -0.218 253 HA GLN 33 HA GLN 33 23.467 -0.043 -1.910 254 HB2 GLN 33 HB2 GLN 33 21.644 0.008 0.222 255 HB3 GLN 33 HB3 GLN 33 23.127 0.706 0.859 256 HG2 GLN 33 HG2 GLN 33 22.635 1.793 -1.728 257 HG3 GLN 33 HG3 GLN 33 21.169 1.927 -0.757 258 HE21 GLN 33 HE22 GLN 33 21.126 4.004 -0.195 259 HE22 GLN 33 HE21 GLN 33 22.394 4.841 0.627 260 H HIS 34 H HIS 34 24.105 -1.770 1.129 261 HA HIS 34 HA HIS 34 26.967 -1.476 0.649 262 HB2 HIS 34 HB2 HIS 34 25.941 0.382 2.216 263 HB3 HIS 34 HB3 HIS 34 25.997 -0.902 3.420 264 HD1 HIS 34 HD1 HIS 34 28.329 -1.679 4.217 265 HD2 HIS 34 HD2 HIS 34 28.426 1.408 1.438 266 HE1 HIS 34 HE1 HIS 34 30.686 -0.803 4.267 267 H GLY 35 H GLY 35 28.244 -3.058 1.649 268 HA2 GLY 35 HA2 GLY 35 26.825 -5.122 3.186 269 HA3 GLY 35 HA3 GLY 35 27.680 -5.592 1.724 270 H ALA 36 H ALA 36 28.201 -6.576 4.346 271 HA ALA 36 HA ALA 36 31.034 -5.955 4.482 272 HB1 ALA 36 HB1 ALA 36 29.097 -5.084 6.520 273 HB2 ALA 36 HB2 ALA 36 30.546 -5.881 7.135 274 HB3 ALA 36 HB3 ALA 36 30.692 -4.447 6.119 275 H CYS 37 H CYS 37 32.240 -7.494 5.766 276 HA CYS 37 HA CYS 37 30.780 -10.014 6.215 277 HB2 CYS 37 HB2 CYS 37 32.088 -10.349 4.252 278 HB3 CYS 37 HB3 CYS 37 33.493 -9.569 4.971 279 H HIS 38 H HIS 38 31.234 -11.147 8.050 280 HA HIS 38 HA HIS 38 33.454 -10.312 9.744 281 HB2 HIS 38 HB2 HIS 38 31.326 -8.974 10.300 282 HB3 HIS 38 HB3 HIS 38 30.694 -10.490 10.935 283 HD1 HIS 38 HD1 HIS 38 34.207 -9.123 11.360 284 HD2 HIS 38 HD2 HIS 38 30.839 -10.035 13.616 285 HE1 HIS 38 HE1 HIS 38 34.901 -8.818 13.758 286 H LYS 39 H LYS 39 34.049 -11.851 11.320 287 HA LYS 39 HA LYS 39 33.240 -14.560 10.631 288 HB2 LYS 39 HB2 LYS 39 35.158 -15.279 11.910 289 HB3 LYS 39 HB3 LYS 39 35.643 -13.966 10.844 290 HG2 LYS 39 HG2 LYS 39 36.601 -13.100 12.660 291 HG3 LYS 39 HG3 LYS 39 34.965 -12.622 13.120 292 HD2 LYS 39 HD2 LYS 39 34.713 -14.477 14.548 293 HD3 LYS 39 HD3 LYS 39 36.111 -15.303 13.855 294 HE2 LYS 39 HE2 LYS 39 36.731 -14.437 16.001 295 HE3 LYS 39 HE3 LYS 39 37.552 -13.489 14.762 296 HZ1 LYS 39 HZ1 LYS 39 35.320 -12.711 16.514 297 HZ2 LYS 39 HZ2 LYS 39 35.511 -11.946 15.017 298 HZ3 LYS 39 HZ3 LYS 39 36.750 -11.876 16.167 299 H ARG 40 H ARG 40 31.975 -15.824 11.846 300 HA ARG 40 HA ARG 40 31.615 -15.290 14.676 301 HB2 ARG 40 HB2 ARG 40 29.569 -14.698 12.623 302 HB3 ARG 40 HB3 ARG 40 29.002 -15.567 14.042 303 HG2 ARG 40 HG2 ARG 40 30.532 -12.977 14.143 304 HG3 ARG 40 HG3 ARG 40 28.772 -13.103 14.197 305 HD2 ARG 40 HD2 ARG 40 28.764 -13.798 16.337 306 HD3 ARG 40 HD3 ARG 40 30.188 -14.814 16.115 307 HE ARG 40 HE ARG 40 31.437 -13.128 16.995 308 HH11 ARG 40 HH12 ARG 40 28.484 -11.771 15.748 309 HH12 ARG 40 HH11 ARG 40 28.827 -10.170 16.314 310 HH21 ARG 40 HH22 ARG 40 31.901 -11.025 17.745 311 HH22 ARG 40 HH21 ARG 40 30.772 -9.746 17.449 312 H GLU 41 H GLU 41 30.129 -16.968 15.669 313 HA GLU 41 HA GLU 41 29.873 -19.178 16.181 314 HB2 GLU 41 HB2 GLU 41 29.144 -19.195 13.250 315 HB3 GLU 41 HB3 GLU 41 28.866 -20.549 14.335 316 HG2 GLU 41 HG2 GLU 41 27.088 -19.584 15.304 317 HG3 GLU 41 HG3 GLU 41 27.803 -17.973 15.257 318 H ALA 42 H ALA 42 32.042 -19.634 16.676 319 HA ALA 42 HA ALA 42 33.967 -20.843 16.558 320 HB1 ALA 42 HB1 ALA 42 33.203 -22.871 15.998 321 HB2 ALA 42 HB2 ALA 42 32.134 -22.228 14.751 322 HB3 ALA 42 HB3 ALA 42 33.838 -22.505 14.394 323 H GLY 43 H GLY 43 33.353 -20.898 13.073 324 HA2 GLY 43 HA2 GLY 43 35.275 -18.762 12.613 325 HA3 GLY 43 HA3 GLY 43 35.775 -20.362 12.085 326 H LYS 44 H LYS 44 32.448 -19.289 11.981 327 HA LYS 44 HA LYS 44 32.524 -19.530 9.062 328 HB2 LYS 44 HB2 LYS 44 30.109 -19.376 10.871 329 HB3 LYS 44 HB3 LYS 44 30.124 -19.808 9.167 330 HG2 LYS 44 HG2 LYS 44 30.606 -21.935 9.604 331 HG3 LYS 44 HG3 LYS 44 31.866 -21.501 10.762 332 HD2 LYS 44 HD2 LYS 44 29.674 -20.833 12.178 333 HD3 LYS 44 HD3 LYS 44 29.019 -22.150 11.203 334 HE2 LYS 44 HE2 LYS 44 31.612 -22.851 12.235 335 HE3 LYS 44 HE3 LYS 44 30.546 -22.347 13.546 336 HZ1 LYS 44 HZ1 LYS 44 29.070 -24.002 11.865 337 HZ2 LYS 44 HZ2 LYS 44 29.588 -24.324 13.443 338 HZ3 LYS 44 HZ3 LYS 44 30.552 -24.775 12.128 339 H GLU 45 H GLU 45 32.830 -17.691 7.995 340 HA GLU 45 HA GLU 45 32.084 -15.147 9.159 341 HB2 GLU 45 HB2 GLU 45 33.762 -16.066 6.914 342 HB3 GLU 45 HB3 GLU 45 32.935 -14.538 6.648 343 HG2 GLU 45 HG2 GLU 45 34.013 -13.506 8.448 344 HG3 GLU 45 HG3 GLU 45 34.534 -15.047 9.129 345 H SER 46 H SER 46 30.439 -13.842 8.536 346 HA SER 46 HA SER 46 28.673 -14.838 6.396 347 HB2 SER 46 HB2 SER 46 27.789 -15.099 8.764 348 HB3 SER 46 HB3 SER 46 27.731 -13.338 8.843 349 HG SER 46 HG SER 46 26.346 -15.017 7.022 350 H CYS 47 H CYS 47 27.541 -13.268 5.172 351 HA CYS 47 HA CYS 47 28.816 -10.613 5.218 352 HB2 CYS 47 HB2 CYS 47 29.299 -11.841 3.174 353 HB3 CYS 47 HB3 CYS 47 27.582 -12.132 2.911 354 H PHE 48 H PHE 48 27.568 -9.043 5.961 355 HA PHE 48 HA PHE 48 24.652 -9.282 5.635 356 HB2 PHE 48 HB2 PHE 48 24.659 -7.538 7.547 357 HB3 PHE 48 HB3 PHE 48 25.036 -9.212 7.941 358 HD1 PHE 48 HD2 PHE 48 27.353 -9.879 8.419 359 HD2 PHE 48 HD1 PHE 48 26.280 -5.812 7.772 360 HE1 PHE 48 HE2 PHE 48 29.479 -9.162 9.428 361 HE2 PHE 48 HE1 PHE 48 28.405 -5.087 8.779 362 HZ PHE 48 HZ PHE 48 30.007 -6.763 9.610 363 H CYS 49 H CYS 49 23.659 -7.870 4.358 364 HA CYS 49 HA CYS 49 24.999 -5.315 3.766 365 HB2 CYS 49 HB2 CYS 49 23.326 -6.678 1.690 366 HB3 CYS 49 HB3 CYS 49 24.625 -5.508 1.483 367 H TYR 50 H TYR 50 23.665 -3.530 3.428 368 HA TYR 50 HA TYR 50 20.839 -3.926 4.167 369 HB2 TYR 50 HB2 TYR 50 20.900 -2.174 5.636 370 HB3 TYR 50 HB3 TYR 50 22.579 -2.684 5.762 371 HD1 TYR 50 HD2 TYR 50 20.302 -0.135 4.428 372 HD2 TYR 50 HD1 TYR 50 24.363 -1.330 4.852 373 HE1 TYR 50 HE2 TYR 50 21.029 2.116 3.754 374 HE2 TYR 50 HE1 TYR 50 25.101 0.918 4.181 375 HH TYR 50 HH TYR 50 23.122 3.564 4.134 376 H PHE 51 H PHE 51 19.309 -2.940 2.954 377 HA PHE 51 HA PHE 51 20.067 -0.898 1.024 378 HB2 PHE 51 HB2 PHE 51 20.410 -3.015 -0.184 379 HB3 PHE 51 HB3 PHE 51 18.756 -3.492 0.183 380 HD1 PHE 51 HD2 PHE 51 20.581 -0.617 -1.346 381 HD2 PHE 51 HD1 PHE 51 17.189 -3.185 -1.458 382 HE1 PHE 51 HE2 PHE 51 19.812 0.495 -3.401 383 HE2 PHE 51 HE1 PHE 51 16.414 -2.077 -3.514 384 HZ PHE 51 HZ PHE 51 17.725 -0.234 -4.487 385 H ASP 52 H ASP 52 18.236 0.194 0.078 386 HA ASP 52 HA ASP 52 15.957 0.218 1.901 387 HB2 ASP 52 HB2 ASP 52 15.370 2.311 0.512 388 HB3 ASP 52 HB3 ASP 52 16.773 2.392 1.575 389 H CYS 53 H CYS 53 14.017 -0.570 1.397 390 HA CYS 53 HA CYS 53 13.542 -1.384 -1.393 391 HB2 CYS 53 HB2 CYS 53 12.968 -2.661 1.213 392 HB3 CYS 53 HB3 CYS 53 11.701 -2.799 -0.001 393 H SER 54 H SER 54 11.556 -0.968 -2.355 394 HA SER 54 HA SER 54 9.872 0.495 -2.895 395 HB2 SER 54 HB2 SER 54 9.013 -0.422 -0.141 396 HB3 SER 54 HB3 SER 54 7.956 0.366 -1.312 397 HG SER 54 HG SER 54 7.781 -1.452 -2.354 398 H LYS 55 H LYS 55 11.829 2.107 -2.394 399 HA LYS 55 HA LYS 55 12.223 4.313 -1.936 400 HB2 LYS 55 HB2 LYS 55 9.650 4.366 -0.363 401 HB3 LYS 55 HB3 LYS 55 10.508 5.729 -1.070 402 HG2 LYS 55 HG2 LYS 55 9.367 5.527 -2.954 403 HG3 LYS 55 HG3 LYS 55 9.861 3.841 -3.120 404 HD2 LYS 55 HD2 LYS 55 7.939 3.814 -1.109 405 HD3 LYS 55 HD3 LYS 55 7.314 4.951 -2.306 406 HE2 LYS 55 HE2 LYS 55 8.216 2.905 -3.876 407 HE3 LYS 55 HE3 LYS 55 7.638 2.043 -2.451 408 HZ1 LYS 55 HZ1 LYS 55 5.893 2.302 -4.100 409 HZ2 LYS 55 HZ2 LYS 55 6.060 3.984 -4.053 410 HZ3 LYS 55 HZ3 LYS 55 5.505 3.150 -2.689 411 H SER 56 H SER 56 10.808 2.510 0.776 412 HA SER 56 HA SER 56 11.543 2.143 2.899 413 HB2 SER 56 HB2 SER 56 13.721 1.687 1.684 414 HB3 SER 56 HB3 SER 56 14.183 3.348 2.053 415 HG SER 56 HG SER 56 14.510 2.814 4.073 416 HA PRO 57 HA PRO 57 10.700 5.982 4.884 417 HB2 PRO 57 HB2 PRO 57 11.180 5.237 7.450 418 HB3 PRO 57 HB3 PRO 57 9.742 4.730 6.555 419 HG2 PRO 57 HG2 PRO 57 12.281 3.230 7.066 420 HG3 PRO 57 HG3 PRO 57 10.606 2.653 7.144 421 HD2 PRO 57 HD2 PRO 57 12.215 2.176 5.018 422 HD3 PRO 57 HD3 PRO 57 10.459 2.389 4.859 423 HA PRO 58 HA PRO 58 14.423 8.179 5.692 424 HB2 PRO 58 HB2 PRO 58 13.723 9.823 7.736 425 HB3 PRO 58 HB3 PRO 58 13.139 10.044 6.082 426 HG2 PRO 58 HG2 PRO 58 11.770 8.773 8.422 427 HG3 PRO 58 HG3 PRO 58 11.112 9.890 7.212 428 HD2 PRO 58 HD2 PRO 58 10.698 7.216 7.104 429 HD3 PRO 58 HD3 PRO 58 10.822 8.223 5.647 430 H GLY 59 H GLY 59 13.160 6.048 7.990 431 HA2 GLY 59 HA2 GLY 59 15.178 6.520 10.017 432 HA3 GLY 59 HA3 GLY 59 13.951 5.263 10.036 433 H ALA 60 H ALA 60 15.009 3.399 10.276 434 HA ALA 60 HA ALA 60 16.609 2.370 8.174 435 HB1 ALA 60 HB1 ALA 60 18.119 3.974 9.664 436 HB2 ALA 60 HB2 ALA 60 18.251 2.508 10.637 437 HB3 ALA 60 HB3 ALA 60 18.743 2.489 8.944 438 H THR 61 H THR 61 18.136 0.581 9.913 439 HA THR 61 HA THR 61 17.932 -1.440 10.942 440 HB THR 61 HB THR 61 16.388 -1.723 12.704 441 HG1 THR 61 HG1 THR 61 14.550 -0.108 12.779 442 HG21 THR 61 HG21 THR 61 16.638 0.242 13.996 443 HG22 THR 61 HG22 THR 61 16.649 1.273 12.565 444 HG23 THR 61 HG23 THR 61 18.021 0.217 12.902 445 HA PRO 62 HA PRO 62 15.299 -2.990 7.522 446 HB2 PRO 62 HB2 PRO 62 17.018 -4.971 6.824 447 HB3 PRO 62 HB3 PRO 62 17.181 -3.309 6.243 448 HG2 PRO 62 HG2 PRO 62 18.624 -4.686 8.476 449 HG3 PRO 62 HG3 PRO 62 19.267 -3.600 7.230 450 HD2 PRO 62 HD2 PRO 62 18.732 -2.769 9.751 451 HD3 PRO 62 HD3 PRO 62 18.564 -1.706 8.339 452 H ALA 63 H ALA 63 14.414 -5.182 7.160 453 HA ALA 63 HA ALA 63 13.367 -7.072 7.877 454 HB1 ALA 63 HB1 ALA 63 14.719 -8.102 10.002 455 HB2 ALA 63 HB2 ALA 63 15.126 -8.394 8.311 456 HB3 ALA 63 HB3 ALA 63 15.972 -7.140 9.217 457 HA PRO 64 HA PRO 64 10.693 -5.998 11.185 458 HB2 PRO 64 HB2 PRO 64 9.907 -8.425 12.114 459 HB3 PRO 64 HB3 PRO 64 9.368 -7.769 10.564 460 HG2 PRO 64 HG2 PRO 64 11.533 -9.757 11.130 461 HG3 PRO 64 HG3 PRO 64 10.304 -9.776 9.853 462 HD2 PRO 64 HD2 PRO 64 12.856 -8.990 9.406 463 HD3 PRO 64 HD3 PRO 64 11.477 -8.299 8.528 464 HA PRO 65 HA PRO 65 12.662 -6.039 15.116 465 HB2 PRO 65 HB2 PRO 65 10.568 -6.205 16.836 466 HB3 PRO 65 HB3 PRO 65 10.931 -4.749 15.901 467 HG2 PRO 65 HG2 PRO 65 8.913 -6.893 15.360 468 HG3 PRO 65 HG3 PRO 65 8.742 -5.134 15.218 469 HD2 PRO 65 HD2 PRO 65 9.175 -6.733 13.077 470 HD3 PRO 65 HD3 PRO 65 9.792 -5.071 13.167 471 H GLY 66 H GLY 66 13.686 -7.504 16.350 472 HA2 GLY 66 HA2 GLY 66 12.650 -9.649 17.712 473 HA3 GLY 66 HA3 GLY 66 13.019 -10.280 16.114 474 H ALA 67 H ALA 67 15.310 -8.370 15.874 475 HA ALA 67 HA ALA 67 17.156 -9.526 17.842 476 HB1 ALA 67 HB1 ALA 67 17.174 -9.934 14.926 477 HB2 ALA 67 HB2 ALA 67 18.732 -9.540 15.654 478 HB3 ALA 67 HB3 ALA 67 17.823 -10.941 16.221 479 H ALA 68 H ALA 68 18.317 -7.989 18.783 480 HA ALA 68 HA ALA 68 18.734 -5.456 17.334 481 HB1 ALA 68 HB1 ALA 68 17.588 -4.648 19.094 482 HB2 ALA 68 HB2 ALA 68 17.951 -6.044 20.109 483 HB3 ALA 68 HB3 ALA 68 19.147 -4.763 19.910 484 HA PRO 69 HA PRO 69 22.903 -7.409 17.947 485 HB2 PRO 69 HB2 PRO 69 23.797 -6.833 15.449 486 HB3 PRO 69 HB3 PRO 69 22.878 -8.295 15.827 487 HG2 PRO 69 HG2 PRO 69 21.933 -5.723 14.621 488 HG3 PRO 69 HG3 PRO 69 21.530 -7.387 14.164 489 HD2 PRO 69 HD2 PRO 69 19.881 -5.847 15.661 490 HD3 PRO 69 HD3 PRO 69 19.978 -7.609 15.854 491 HA PRO 70 HA PRO 70 25.111 -3.684 18.712 492 HB2 PRO 70 HB2 PRO 70 27.651 -4.337 18.012 493 HB3 PRO 70 HB3 PRO 70 26.859 -4.975 19.458 494 HG2 PRO 70 HG2 PRO 70 27.228 -6.257 16.778 495 HG3 PRO 70 HG3 PRO 70 27.422 -6.964 18.393 496 HD2 PRO 70 HD2 PRO 70 25.205 -7.354 16.888 497 HD3 PRO 70 HD3 PRO 70 25.155 -7.285 18.662 498 HA PRO 71 HA PRO 71 25.636 -1.183 15.134 499 HB2 PRO 71 HB2 PRO 71 27.683 0.454 15.841 500 HB3 PRO 71 HB3 PRO 71 26.064 0.585 16.538 501 HG2 PRO 71 HG2 PRO 71 28.509 -0.728 17.659 502 HG3 PRO 71 HG3 PRO 71 27.319 0.301 18.476 503 HD2 PRO 71 HD2 PRO 71 27.294 -2.398 18.680 504 HD3 PRO 71 HD3 PRO 71 25.810 -1.424 18.724 505 H ALA 72 H ALA 72 28.305 -3.073 16.256 506 HA ALA 72 HA ALA 72 30.292 -2.524 14.418 507 HB1 ALA 72 HB1 ALA 72 31.157 -4.034 15.823 508 HB2 ALA 72 HB2 ALA 72 29.588 -4.775 16.141 509 HB3 ALA 72 HB3 ALA 72 30.505 -5.234 14.707 510 H ALA 73 H ALA 73 30.165 -2.434 12.279 511 HA ALA 73 HA ALA 73 29.331 -4.669 10.727 512 HB1 ALA 73 HB1 ALA 73 27.171 -4.222 10.481 513 HB2 ALA 73 HB2 ALA 73 27.331 -2.701 11.360 514 HB3 ALA 73 HB3 ALA 73 27.626 -2.750 9.622 515 H GLY 74 H GLY 74 29.499 -1.110 10.435 516 HA2 GLY 74 HA2 GLY 74 30.661 -1.198 7.836 517 HA3 GLY 74 HA3 GLY 74 30.553 0.214 8.875 518 H GLY 75 H GLY 75 32.758 0.172 7.489 519 HA2 GLY 75 HA2 GLY 75 34.978 0.654 8.267 520 HA3 GLY 75 HA3 GLY 75 34.800 -0.634 9.450 521 H SER 76 H SER 76 33.539 -2.261 7.164 522 HA SER 76 HA SER 76 34.259 -3.960 5.828 523 HB2 SER 76 HB2 SER 76 36.093 -1.744 4.890 524 HB3 SER 76 HB3 SER 76 35.916 -3.292 4.063 525 HG SER 76 HG SER 76 34.519 -1.845 3.112 526 HA PRO 77 HA PRO 77 37.850 -4.842 8.674 527 HB2 PRO 77 HB2 PRO 77 36.736 -7.045 9.804 528 HB3 PRO 77 HB3 PRO 77 36.469 -5.410 10.420 529 HG2 PRO 77 HG2 PRO 77 34.715 -7.082 8.662 530 HG3 PRO 77 HG3 PRO 77 34.270 -6.066 10.046 531 HD2 PRO 77 HD2 PRO 77 33.950 -5.256 7.482 532 HD3 PRO 77 HD3 PRO 77 34.322 -4.127 8.801 533 H SER 78 H SER 78 38.829 -7.180 8.980 534 HA SER 78 HA SER 78 38.403 -9.046 6.864 535 HB2 SER 78 HB2 SER 78 40.664 -8.761 5.816 536 HB3 SER 78 HB3 SER 78 39.563 -7.417 5.513 537 HG SER 78 HG SER 78 41.217 -6.305 6.224 538 HA PRO 79 HA PRO 79 40.522 -10.524 10.749 539 HB2 PRO 79 HB2 PRO 79 38.683 -12.436 11.324 540 HB3 PRO 79 HB3 PRO 79 38.533 -10.764 11.875 541 HG2 PRO 79 HG2 PRO 79 37.226 -12.114 9.545 542 HG3 PRO 79 HG3 PRO 79 36.525 -10.993 10.726 543 HD2 PRO 79 HD2 PRO 79 37.290 -10.210 8.249 544 HD3 PRO 79 HD3 PRO 79 37.382 -9.137 9.660 545 HA PRO 80 HA PRO 80 42.408 -14.046 8.911 546 HB2 PRO 80 HB2 PRO 80 42.801 -15.694 11.032 547 HB3 PRO 80 HB3 PRO 80 43.729 -14.209 10.784 548 HG2 PRO 80 HG2 PRO 80 41.372 -14.694 12.564 549 HG3 PRO 80 HG3 PRO 80 42.863 -13.797 12.902 550 HD2 PRO 80 HD2 PRO 80 40.540 -12.569 12.247 551 HD3 PRO 80 HD3 PRO 80 42.127 -11.911 11.799 552 H ALA 81 H ALA 81 41.313 -15.343 7.577 553 HA ALA 81 HA ALA 81 39.037 -16.880 8.580 554 HB1 ALA 81 HB1 ALA 81 39.796 -17.020 5.724 555 HB2 ALA 81 HB2 ALA 81 38.205 -16.878 6.472 556 HB3 ALA 81 HB3 ALA 81 39.241 -15.458 6.329 557 H ASP 82 H ASP 82 41.901 -17.531 9.145 558 HA ASP 82 HA ASP 82 43.225 -19.371 9.328 559 HB2 ASP 82 HB2 ASP 82 40.504 -20.505 8.909 560 HB3 ASP 82 HB3 ASP 82 41.873 -21.605 8.773 561 H GLY 83 H GLY 83 44.711 -19.076 7.727 562 HA2 GLY 83 HA2 GLY 83 44.137 -19.561 4.965 563 HA3 GLY 83 HA3 GLY 83 45.722 -19.260 5.662 564 H GLY 84 H GLY 84 43.242 -21.769 5.277 565 HA2 GLY 84 HA2 GLY 84 44.411 -23.791 4.145 566 HA3 GLY 84 HA3 GLY 84 45.319 -23.815 5.649 567 H SER 85 H SER 85 44.452 -24.762 7.423 568 HA SER 85 HA SER 85 43.084 -26.104 8.649 569 HB2 SER 85 HB2 SER 85 41.695 -23.995 8.576 570 HB3 SER 85 HB3 SER 85 40.800 -24.714 7.237 571 HG SER 85 HG SER 85 40.223 -25.008 9.707 572 HA PRO 86 HA PRO 86 42.514 -28.910 4.987 573 HB2 PRO 86 HB2 PRO 86 44.111 -30.882 5.952 574 HB3 PRO 86 HB3 PRO 86 44.729 -29.521 5.008 575 HG2 PRO 86 HG2 PRO 86 44.726 -29.922 7.974 576 HG3 PRO 86 HG3 PRO 86 46.016 -29.298 6.931 577 HD2 PRO 86 HD2 PRO 86 44.419 -27.679 8.401 578 HD3 PRO 86 HD3 PRO 86 45.087 -27.191 6.830 579 HA PRO 87 HA PRO 87 39.523 -31.544 6.844 580 HB2 PRO 87 HB2 PRO 87 39.801 -33.852 5.441 581 HB3 PRO 87 HB3 PRO 87 39.092 -32.388 4.750 582 HG2 PRO 87 HG2 PRO 87 41.872 -33.462 4.467 583 HG3 PRO 87 HG3 PRO 87 40.812 -32.762 3.230 584 HD2 PRO 87 HD2 PRO 87 42.809 -31.358 4.401 585 HD3 PRO 87 HD3 PRO 87 41.299 -30.598 3.857 586 HA PRO 88 HA PRO 88 41.183 -34.184 9.943 587 HB2 PRO 88 HB2 PRO 88 39.294 -36.122 10.159 588 HB3 PRO 88 HB3 PRO 88 39.043 -34.467 10.728 589 HG2 PRO 88 HG2 PRO 88 38.138 -35.751 8.180 590 HG3 PRO 88 HG3 PRO 88 37.246 -34.670 9.266 591 HD2 PRO 88 HD2 PRO 88 38.390 -33.808 6.968 592 HD3 PRO 88 HD3 PRO 88 38.245 -32.779 8.407 593 HA PRO 89 HA PRO 89 43.373 -37.638 8.327 594 HB2 PRO 89 HB2 PRO 89 43.439 -39.348 10.434 595 HB3 PRO 89 HB3 PRO 89 44.379 -37.852 10.381 596 HG2 PRO 89 HG2 PRO 89 41.773 -38.403 11.747 597 HG3 PRO 89 HG3 PRO 89 43.183 -37.509 12.345 598 HD2 PRO 89 HD2 PRO 89 40.982 -36.273 11.364 599 HD3 PRO 89 HD3 PRO 89 42.614 -35.594 11.194 600 H ALA 90 H ALA 90 43.227 -39.838 7.632 601 HA ALA 90 HA ALA 90 40.464 -40.728 7.311 602 HB1 ALA 90 HB1 ALA 90 42.985 -41.661 5.943 603 HB2 ALA 90 HB2 ALA 90 41.346 -42.192 5.559 604 HB3 ALA 90 HB3 ALA 90 41.813 -40.512 5.296 605 H ASP 91 H ASP 91 40.144 -41.579 9.414 606 HA ASP 91 HA ASP 91 41.151 -44.292 9.699 607 HB2 ASP 91 HB2 ASP 91 41.809 -42.056 11.554 608 HB3 ASP 91 HB3 ASP 91 41.443 -43.626 12.265 609 H GLY 92 H GLY 92 39.915 -45.574 11.210 610 HA2 GLY 92 HA2 GLY 92 37.201 -44.477 11.590 611 HA3 GLY 92 HA3 GLY 92 37.559 -46.175 11.311 612 H GLY 93 H GLY 93 36.770 -47.113 13.118 613 HA2 GLY 93 HA2 GLY 93 38.267 -46.972 15.512 614 HA3 GLY 93 HA3 GLY 93 36.786 -46.045 15.697 615 H SER 94 H SER 94 36.370 -47.649 17.404 616 HA SER 94 HA SER 94 35.269 -49.463 18.226 617 HB2 SER 94 HB2 SER 94 33.673 -48.550 16.331 618 HB3 SER 94 HB3 SER 94 34.109 -50.061 15.533 619 HG SER 94 HG SER 94 32.351 -50.538 16.746 620 HA PRO 95 HA PRO 95 36.373 -50.321 19.534 621 HB2 PRO 95 HB2 PRO 95 38.902 -50.839 20.375 622 HB3 PRO 95 HB3 PRO 95 37.606 -52.040 20.431 623 HG2 PRO 95 HG2 PRO 95 39.790 -51.701 18.411 624 HG3 PRO 95 HG3 PRO 95 39.170 -53.189 19.150 625 HD2 PRO 95 HD2 PRO 95 38.450 -52.385 16.666 626 HD3 PRO 95 HD3 PRO 95 37.353 -53.283 17.735 627 HA PRO 96 HA PRO 96 38.192 -46.373 18.857 628 HB2 PRO 96 HB2 PRO 96 38.697 -45.564 21.399 629 HB3 PRO 96 HB3 PRO 96 37.065 -45.657 20.727 630 HG2 PRO 96 HG2 PRO 96 38.499 -47.600 22.496 631 HG3 PRO 96 HG3 PRO 96 36.819 -47.038 22.582 632 HD2 PRO 96 HD2 PRO 96 37.503 -49.426 21.504 633 HD3 PRO 96 HD3 PRO 96 36.121 -48.476 20.922 634 H VAL 97 H VAL 97 40.136 -44.997 19.491 635 HA VAL 97 HA VAL 97 42.486 -46.580 20.217 636 HB VAL 97 HB VAL 97 43.758 -45.526 18.308 637 HG11 VAL 97 HG11 VAL 97 42.463 -47.891 18.464 638 HG12 VAL 97 HG12 VAL 97 41.738 -47.221 17.001 639 HG13 VAL 97 HG13 VAL 97 43.488 -47.415 17.110 640 HG21 VAL 97 HG21 VAL 97 41.056 -45.128 17.055 641 HG22 VAL 97 HG22 VAL 97 41.911 -43.826 17.882 642 HG23 VAL 97 HG23 VAL 97 42.630 -44.593 16.465 643 H ASP 98 H ASP 98 44.180 -45.392 21.088 644 HA ASP 98 HA ASP 98 43.546 -43.088 22.512 645 HB2 ASP 98 HB2 ASP 98 45.945 -44.678 22.003 646 HB3 ASP 98 HB3 ASP 98 46.296 -42.972 22.258 647 H GLY 99 H GLY 99 44.844 -43.473 19.289 648 HA2 GLY 99 HA2 GLY 99 45.886 -40.936 18.828 649 HA3 GLY 99 HA3 GLY 99 45.166 -41.959 17.594 650 H GLY 100 H GLY 100 44.998 -38.991 18.961 651 HA2 GLY 100 HA2 GLY 100 43.183 -37.671 17.733 652 HA3 GLY 100 HA3 GLY 100 42.085 -38.760 18.568 653 H SER 101 H SER 101 41.179 -37.915 20.308 654 HA SER 101 HA SER 101 40.825 -36.679 22.185 655 HB2 SER 101 HB2 SER 101 43.650 -36.042 22.711 656 HB3 SER 101 HB3 SER 101 42.455 -36.820 23.749 657 HG SER 101 HG SER 101 44.263 -38.166 23.026 658 HA PRO 102 HA PRO 102 40.880 -32.436 21.074 659 HB2 PRO 102 HB2 PRO 102 40.860 -31.197 23.490 660 HB3 PRO 102 HB3 PRO 102 39.458 -32.053 22.838 661 HG2 PRO 102 HG2 PRO 102 41.481 -32.981 24.840 662 HG3 PRO 102 HG3 PRO 102 39.719 -33.180 24.856 663 HD2 PRO 102 HD2 PRO 102 41.403 -35.159 24.093 664 HD3 PRO 102 HD3 PRO 102 39.782 -34.962 23.395 665 HA PRO 103 HA PRO 103 40.902 -30.034 21.865 666 HB2 PRO 103 HB2 PRO 103 41.835 -28.139 20.159 667 HB3 PRO 103 HB3 PRO 103 42.076 -28.060 21.908 668 HG2 PRO 103 HG2 PRO 103 43.964 -28.984 19.776 669 HG3 PRO 103 HG3 PRO 103 44.286 -27.963 21.190 670 HD2 PRO 103 HD2 PRO 103 44.894 -30.600 21.129 671 HD3 PRO 103 HD3 PRO 103 44.413 -29.765 22.620 672 HA PRO 104 HA PRO 104 39.331 -31.537 18.042 673 HB2 PRO 104 HB2 PRO 104 37.690 -29.531 17.236 674 HB3 PRO 104 HB3 PRO 104 37.312 -30.592 18.598 675 HG2 PRO 104 HG2 PRO 104 38.461 -27.827 18.612 676 HG3 PRO 104 HG3 PRO 104 37.206 -28.523 19.655 677 HD2 PRO 104 HD2 PRO 104 39.780 -28.253 20.454 678 HD3 PRO 104 HD3 PRO 104 38.742 -29.582 21.009 679 HA PRO 105 HA PRO 105 41.525 -30.052 14.533 680 HB2 PRO 105 HB2 PRO 105 39.775 -30.485 12.503 681 HB3 PRO 105 HB3 PRO 105 40.620 -31.794 13.338 682 HG2 PRO 105 HG2 PRO 105 37.829 -30.786 13.732 683 HG3 PRO 105 HG3 PRO 105 38.416 -32.458 13.668 684 HD2 PRO 105 HD2 PRO 105 37.872 -31.193 16.000 685 HD3 PRO 105 HD3 PRO 105 39.150 -32.416 15.853 686 H SER 106 H SER 106 41.512 -28.491 12.731 687 HA SER 106 HA SER 106 41.272 -26.357 11.976 688 HB2 SER 106 HB2 SER 106 38.372 -26.892 12.662 689 HB3 SER 106 HB3 SER 106 38.947 -25.557 11.663 690 HG SER 106 HG SER 106 38.834 -26.913 10.073 691 H THR 107 H THR 107 42.421 -26.137 14.252 692 HA THR 107 HA THR 107 42.762 -24.906 16.142 693 HB THR 107 HB THR 107 42.273 -22.608 16.013 694 HG1 THR 107 HG1 THR 107 40.295 -22.976 14.030 695 HG21 THR 107 HG21 THR 107 42.237 -23.477 13.125 696 HG22 THR 107 HG22 THR 107 43.680 -23.519 14.139 697 HG23 THR 107 HG23 THR 107 42.890 -21.981 13.793 698 H HIS 108 H HIS 108 41.294 -23.250 17.687 699 HA HIS 108 HA HIS 108 39.788 -23.249 19.392 700 HB2 HIS 108 HB2 HIS 108 38.300 -23.879 16.982 701 HB3 HIS 108 HB3 HIS 108 37.547 -24.594 18.405 702 HD1 HIS 108 HD1 HIS 108 38.839 -21.193 17.292 703 HD2 HIS 108 HD2 HIS 108 35.942 -22.877 19.747 704 HE1 HIS 108 HE1 HIS 108 37.484 -19.259 18.156 Start of MODEL 18 1 H1 ALA 1 H ALA 1 1.280 0.950 0.368 2 HA ALA 1 HA ALA 1 3.533 0.871 -1.044 3 HB1 ALA 1 HB1 ALA 1 2.802 3.495 -1.217 4 HB2 ALA 1 HB2 ALA 1 3.983 3.527 0.094 5 HB3 ALA 1 HB3 ALA 1 4.432 2.874 -1.482 6 H GLY 2 H GLY 2 5.311 0.314 0.182 7 HA2 GLY 2 HA2 GLY 2 5.011 0.633 3.105 8 HA3 GLY 2 HA3 GLY 2 5.515 -0.888 2.382 9 H SER 3 H SER 3 6.456 2.540 2.066 10 HA SER 3 HA SER 3 9.092 2.143 1.359 11 HB2 SER 3 HB2 SER 3 8.078 4.383 3.125 12 HB3 SER 3 HB3 SER 3 9.514 4.414 2.101 13 HG SER 3 HG SER 3 6.861 4.746 1.438 14 H LYS 4 H LYS 4 10.670 1.091 2.343 15 HA LYS 4 HA LYS 4 11.457 1.613 5.010 16 HB2 LYS 4 HB2 LYS 4 9.442 -0.366 4.724 17 HB3 LYS 4 HB3 LYS 4 10.939 -1.200 5.123 18 HG2 LYS 4 HG2 LYS 4 9.937 1.154 6.694 19 HG3 LYS 4 HG3 LYS 4 9.471 -0.508 7.060 20 HD2 LYS 4 HD2 LYS 4 11.300 -0.565 8.348 21 HD3 LYS 4 HD3 LYS 4 12.207 -0.672 6.837 22 HE2 LYS 4 HE2 LYS 4 12.415 1.765 6.793 23 HE3 LYS 4 HE3 LYS 4 11.502 1.873 8.297 24 HZ1 LYS 4 HZ1 LYS 4 13.562 0.101 8.779 25 HZ2 LYS 4 HZ2 LYS 4 13.423 1.684 9.357 26 HZ3 LYS 4 HZ3 LYS 4 14.265 1.379 7.922 27 H LEU 5 H LEU 5 13.352 0.349 5.651 28 HA LEU 5 HA LEU 5 14.951 -0.330 3.319 29 HB2 LEU 5 HB2 LEU 5 15.443 0.716 5.945 30 HB3 LEU 5 HB3 LEU 5 16.448 -0.705 5.670 31 HG LEU 5 HG LEU 5 16.861 0.686 3.371 32 HD11 LEU 5 HD11 LEU 5 15.541 2.586 4.170 33 HD12 LEU 5 HD12 LEU 5 17.238 3.015 3.957 34 HD13 LEU 5 HD13 LEU 5 16.598 2.727 5.575 35 HD21 LEU 5 HD21 LEU 5 18.595 -0.319 4.707 36 HD22 LEU 5 HD22 LEU 5 18.358 0.877 5.982 37 HD23 LEU 5 HD23 LEU 5 18.998 1.373 4.415 38 H CYS 6 H CYS 6 16.157 -2.278 3.143 39 HA CYS 6 HA CYS 6 15.010 -4.527 4.665 40 HB2 CYS 6 HB2 CYS 6 15.710 -4.284 1.751 41 HB3 CYS 6 HB3 CYS 6 15.659 -5.859 2.536 42 H GLU 7 H GLU 7 16.394 -6.250 5.205 43 HA GLU 7 HA GLU 7 19.268 -5.729 4.859 44 HB2 GLU 7 HB2 GLU 7 19.716 -6.317 7.147 45 HB3 GLU 7 HB3 GLU 7 18.506 -5.042 7.130 46 HG2 GLU 7 HG2 GLU 7 16.751 -6.674 7.523 47 HG3 GLU 7 HG3 GLU 7 17.939 -7.976 7.491 48 H LYS 8 H LYS 8 20.503 -7.471 4.393 49 HA LYS 8 HA LYS 8 19.166 -10.099 4.374 50 HB2 LYS 8 HB2 LYS 8 20.948 -10.502 2.471 51 HB3 LYS 8 HB3 LYS 8 19.408 -9.728 2.120 52 HG2 LYS 8 HG2 LYS 8 21.635 -7.946 2.888 53 HG3 LYS 8 HG3 LYS 8 21.757 -8.747 1.319 54 HD2 LYS 8 HD2 LYS 8 19.105 -7.673 1.780 55 HD3 LYS 8 HD3 LYS 8 20.347 -6.424 1.894 56 HE2 LYS 8 HE2 LYS 8 20.178 -6.333 -0.338 57 HE3 LYS 8 HE3 LYS 8 21.144 -7.808 -0.318 58 HZ1 LYS 8 HZ1 LYS 8 18.256 -8.110 -0.037 59 HZ2 LYS 8 HZ2 LYS 8 19.372 -9.086 -0.850 60 HZ3 LYS 8 HZ3 LYS 8 18.830 -7.650 -1.561 61 H THR 9 H THR 9 20.510 -11.951 4.717 62 HA THR 9 HA THR 9 22.965 -11.331 6.228 63 HB THR 9 HB THR 9 21.486 -13.882 6.696 64 HG1 THR 9 HG1 THR 9 19.777 -12.682 7.160 65 HG21 THR 9 HG21 THR 9 22.718 -13.980 8.588 66 HG22 THR 9 HG22 THR 9 22.558 -12.253 8.905 67 HG23 THR 9 HG23 THR 9 23.752 -12.829 7.742 68 H SER 10 H SER 10 23.060 -11.684 3.463 69 HA SER 10 HA SER 10 24.245 -12.792 1.869 70 HB2 SER 10 HB2 SER 10 26.090 -12.865 3.396 71 HB3 SER 10 HB3 SER 10 25.357 -14.181 4.313 72 HG SER 10 HG SER 10 25.791 -14.634 1.606 73 H LYS 11 H LYS 11 23.837 -14.437 0.476 74 HA LYS 11 HA LYS 11 22.648 -16.910 1.438 75 HB2 LYS 11 HB2 LYS 11 21.213 -15.024 -0.438 76 HB3 LYS 11 HB3 LYS 11 20.751 -16.703 -0.193 77 HG2 LYS 11 HG2 LYS 11 19.337 -15.744 1.287 78 HG3 LYS 11 HG3 LYS 11 20.738 -15.918 2.347 79 HD2 LYS 11 HD2 LYS 11 20.209 -13.718 2.719 80 HD3 LYS 11 HD3 LYS 11 21.347 -13.546 1.380 81 HE2 LYS 11 HE2 LYS 11 19.782 -12.634 0.091 82 HE3 LYS 11 HE3 LYS 11 18.685 -13.983 0.384 83 HZ1 LYS 11 HZ1 LYS 11 17.448 -12.625 1.592 84 HZ2 LYS 11 HZ2 LYS 11 18.554 -11.360 1.397 85 HZ3 LYS 11 HZ3 LYS 11 18.719 -12.436 2.692 86 H THR 12 H THR 12 23.693 -14.961 -1.319 87 HA THR 12 HA THR 12 24.442 -17.440 -2.722 88 HB THR 12 HB THR 12 24.173 -16.383 -4.779 89 HG1 THR 12 HG1 THR 12 24.236 -13.894 -3.386 90 HG21 THR 12 HG21 THR 12 22.060 -16.424 -3.092 91 HG22 THR 12 HG22 THR 12 21.954 -15.940 -4.784 92 HG23 THR 12 HG23 THR 12 22.090 -14.715 -3.523 93 H TYR 13 H TYR 13 25.725 -15.014 -0.886 94 HA TYR 13 HA TYR 13 28.019 -14.174 -2.194 95 HB2 TYR 13 HB2 TYR 13 27.325 -13.227 -0.062 96 HB3 TYR 13 HB3 TYR 13 27.630 -14.759 0.748 97 HD1 TYR 13 HD1 TYR 13 29.478 -12.361 -1.453 98 HD2 TYR 13 HD2 TYR 13 29.582 -14.903 1.957 99 HE1 TYR 13 HE1 TYR 13 31.792 -11.657 -1.007 100 HE2 TYR 13 HE2 TYR 13 31.896 -14.205 2.413 101 HH TYR 13 HH TYR 13 33.875 -12.970 0.397 102 H SER 14 H SER 14 28.188 -16.584 0.409 103 HA SER 14 HA SER 14 29.571 -18.365 0.731 104 HB2 SER 14 HB2 SER 14 29.527 -18.878 -2.227 105 HB3 SER 14 HB3 SER 14 29.473 -20.034 -0.897 106 HG SER 14 HG SER 14 27.388 -19.925 -0.980 107 H GLY 15 H GLY 15 31.601 -19.546 -0.535 108 HA2 GLY 15 HA2 GLY 15 33.769 -19.321 -1.311 109 HA3 GLY 15 HA3 GLY 15 33.391 -17.669 -1.776 110 H LYS 16 H LYS 16 35.225 -16.728 -0.959 111 HA LYS 16 HA LYS 16 36.026 -17.196 1.779 112 HB2 LYS 16 HB2 LYS 16 37.262 -16.195 -0.572 113 HB3 LYS 16 HB3 LYS 16 37.332 -14.920 0.637 114 HG2 LYS 16 HG2 LYS 16 38.039 -17.343 1.914 115 HG3 LYS 16 HG3 LYS 16 38.944 -17.246 0.402 116 HD2 LYS 16 HD2 LYS 16 39.186 -14.703 1.345 117 HD3 LYS 16 HD3 LYS 16 39.166 -15.634 2.845 118 HE2 LYS 16 HE2 LYS 16 40.846 -17.088 1.214 119 HE3 LYS 16 HE3 LYS 16 41.230 -15.418 0.799 120 HZ1 LYS 16 HZ1 LYS 16 41.298 -16.638 3.505 121 HZ2 LYS 16 HZ2 LYS 16 41.514 -14.988 3.201 122 HZ3 LYS 16 HZ3 LYS 16 42.623 -16.112 2.594 123 H CYS 17 H CYS 17 36.774 -14.856 2.803 124 HA CYS 17 HA CYS 17 34.318 -13.229 2.878 125 HB2 CYS 17 HB2 CYS 17 34.402 -14.482 4.922 126 HB3 CYS 17 HB3 CYS 17 36.101 -14.084 5.161 127 H ASP 18 H ASP 18 34.790 -11.378 1.883 128 HA ASP 18 HA ASP 18 37.191 -9.924 2.749 129 HB2 ASP 18 HB2 ASP 18 36.830 -11.032 0.185 130 HB3 ASP 18 HB3 ASP 18 36.568 -9.300 0.005 131 H ASN 19 H ASN 19 37.027 -7.565 1.817 132 HA ASN 19 HA ASN 19 34.515 -6.520 2.812 133 HB2 ASN 19 HB2 ASN 19 36.368 -5.319 3.616 134 HB3 ASN 19 HB3 ASN 19 37.146 -5.286 2.036 135 HD21 ASN 19 HD22 ASN 19 37.057 -3.433 1.009 136 HD22 ASN 19 HD21 ASN 19 35.864 -2.202 1.225 137 H LYS 20 H LYS 20 36.440 -5.439 0.026 138 HA LYS 20 HA LYS 20 34.319 -4.349 -1.398 139 HB2 LYS 20 HB2 LYS 20 36.933 -4.263 -1.759 140 HB3 LYS 20 HB3 LYS 20 36.606 -5.580 -2.877 141 HG2 LYS 20 HG2 LYS 20 34.729 -3.507 -3.374 142 HG3 LYS 20 HG3 LYS 20 36.344 -2.797 -3.303 143 HD2 LYS 20 HD2 LYS 20 37.066 -3.919 -5.149 144 HD3 LYS 20 HD3 LYS 20 36.034 -5.316 -4.837 145 HE2 LYS 20 HE2 LYS 20 35.066 -4.374 -6.721 146 HE3 LYS 20 HE3 LYS 20 34.091 -3.712 -5.410 147 HZ1 LYS 20 HZ1 LYS 20 35.852 -2.366 -7.255 148 HZ2 LYS 20 HZ2 LYS 20 36.053 -1.886 -5.645 149 HZ3 LYS 20 HZ3 LYS 20 34.535 -1.763 -6.381 150 H LYS 21 H LYS 21 35.632 -7.624 -1.452 151 HA LYS 21 HA LYS 21 34.184 -8.604 -3.643 152 HB2 LYS 21 HB2 LYS 21 35.167 -10.057 -1.180 153 HB3 LYS 21 HB3 LYS 21 34.586 -10.843 -2.642 154 HG2 LYS 21 HG2 LYS 21 37.006 -9.068 -2.404 155 HG3 LYS 21 HG3 LYS 21 36.996 -10.821 -2.614 156 HD2 LYS 21 HD2 LYS 21 37.259 -10.262 -4.793 157 HD3 LYS 21 HD3 LYS 21 35.502 -10.106 -4.728 158 HE2 LYS 21 HE2 LYS 21 35.664 -7.960 -5.271 159 HE3 LYS 21 HE3 LYS 21 36.645 -7.661 -3.837 160 HZ1 LYS 21 HZ1 LYS 21 38.071 -8.891 -6.025 161 HZ2 LYS 21 HZ2 LYS 21 38.515 -7.591 -5.037 162 HZ3 LYS 21 HZ3 LYS 21 37.496 -7.336 -6.363 163 H CYS 22 H CYS 22 33.379 -8.458 -0.199 164 HA CYS 22 HA CYS 22 30.899 -9.836 -0.462 165 HB2 CYS 22 HB2 CYS 22 32.017 -9.786 1.682 166 HB3 CYS 22 HB3 CYS 22 31.965 -8.026 1.713 167 H ASP 23 H ASP 23 31.667 -6.396 0.083 168 HA ASP 23 HA ASP 23 29.096 -5.382 -0.070 169 HB2 ASP 23 HB2 ASP 23 31.317 -4.190 0.499 170 HB3 ASP 23 HB3 ASP 23 31.445 -3.908 -1.236 171 H LYS 24 H LYS 24 31.437 -5.842 -2.705 172 HA LYS 24 HA LYS 24 29.770 -4.868 -4.761 173 HB2 LYS 24 HB2 LYS 24 32.105 -5.009 -5.193 174 HB3 LYS 24 HB3 LYS 24 32.153 -6.715 -4.770 175 HG2 LYS 24 HG2 LYS 24 30.841 -7.254 -6.753 176 HG3 LYS 24 HG3 LYS 24 30.767 -5.541 -7.174 177 HD2 LYS 24 HD2 LYS 24 33.017 -5.449 -7.727 178 HD3 LYS 24 HD3 LYS 24 33.416 -6.872 -6.761 179 HE2 LYS 24 HE2 LYS 24 32.063 -8.224 -8.395 180 HE3 LYS 24 HE3 LYS 24 31.970 -6.781 -9.403 181 HZ1 LYS 24 HZ1 LYS 24 33.873 -7.478 -10.283 182 HZ2 LYS 24 HZ2 LYS 24 34.130 -8.625 -9.067 183 HZ3 LYS 24 HZ3 LYS 24 34.624 -7.024 -8.836 184 H LYS 25 H LYS 25 30.378 -8.151 -3.561 185 HA LYS 25 HA LYS 25 28.782 -9.511 -5.429 186 HB2 LYS 25 HB2 LYS 25 30.426 -10.613 -3.951 187 HB3 LYS 25 HB3 LYS 25 29.390 -10.282 -2.568 188 HG2 LYS 25 HG2 LYS 25 28.177 -12.096 -2.952 189 HG3 LYS 25 HG3 LYS 25 27.924 -11.645 -4.640 190 HD2 LYS 25 HD2 LYS 25 30.478 -12.455 -4.774 191 HD3 LYS 25 HD3 LYS 25 29.924 -13.460 -3.433 192 HE2 LYS 25 HE2 LYS 25 27.880 -13.784 -5.167 193 HE3 LYS 25 HE3 LYS 25 29.215 -13.544 -6.293 194 HZ1 LYS 25 HZ1 LYS 25 29.679 -15.678 -5.985 195 HZ2 LYS 25 HZ2 LYS 25 28.594 -15.817 -4.695 196 HZ3 LYS 25 HZ3 LYS 25 30.178 -15.293 -4.415 197 H CYS 26 H CYS 26 27.962 -7.603 -2.681 198 HA CYS 26 HA CYS 26 25.364 -8.721 -2.243 199 HB2 CYS 26 HB2 CYS 26 26.832 -6.299 -1.273 200 HB3 CYS 26 HB3 CYS 26 25.091 -6.400 -1.035 201 H ILE 27 H ILE 27 26.524 -5.709 -3.748 202 HA ILE 27 HA ILE 27 23.909 -5.002 -4.696 203 HB ILE 27 HB ILE 27 26.531 -3.848 -5.638 204 HG12 ILE 27 HG12 ILE 27 25.262 -2.214 -3.667 205 HG13 ILE 27 HG13 ILE 27 25.458 -3.832 -3.002 206 HG21 ILE 27 HG21 ILE 27 24.795 -1.805 -5.614 207 HG22 ILE 27 HG22 ILE 27 25.031 -2.857 -7.008 208 HG23 ILE 27 HG23 ILE 27 23.679 -3.138 -5.912 209 HD11 ILE 27 HD11 ILE 27 27.450 -2.951 -2.397 210 HD12 ILE 27 HD12 ILE 27 27.893 -3.524 -4.006 211 HD13 ILE 27 HD13 ILE 27 27.493 -1.825 -3.753 212 H GLU 28 H GLU 28 26.403 -7.035 -5.807 213 HA GLU 28 HA GLU 28 25.750 -6.808 -8.614 214 HB2 GLU 28 HB2 GLU 28 27.658 -8.461 -7.003 215 HB3 GLU 28 HB3 GLU 28 27.269 -8.947 -8.647 216 HG2 GLU 28 HG2 GLU 28 27.932 -6.129 -8.455 217 HG3 GLU 28 HG3 GLU 28 29.232 -7.173 -7.883 218 H TRP 29 H TRP 29 25.236 -9.143 -6.002 219 HA TRP 29 HA TRP 29 23.450 -10.673 -7.761 220 HB2 TRP 29 HB2 TRP 29 24.971 -11.353 -5.266 221 HB3 TRP 29 HB3 TRP 29 23.559 -12.302 -5.721 222 HD1 TRP 29 HD1 TRP 29 26.679 -11.036 -7.680 223 HE1 TRP 29 HE1 TRP 29 27.582 -13.006 -9.068 224 HE3 TRP 29 HE3 TRP 29 23.298 -14.615 -6.303 225 HZ2 TRP 29 HZ2 TRP 29 26.946 -15.719 -9.519 226 HZ3 TRP 29 HZ3 TRP 29 23.515 -16.872 -7.259 227 HH2 TRP 29 HH2 TRP 29 25.301 -17.411 -8.834 228 H GLU 30 H GLU 30 23.593 -9.362 -4.452 229 HA GLU 30 HA GLU 30 20.738 -9.697 -4.116 230 HB2 GLU 30 HB2 GLU 30 22.537 -8.181 -2.246 231 HB3 GLU 30 HB3 GLU 30 21.055 -9.050 -1.878 232 HG2 GLU 30 HG2 GLU 30 22.258 -11.167 -2.454 233 HG3 GLU 30 HG3 GLU 30 23.739 -10.217 -2.558 234 H LYS 31 H LYS 31 22.606 -7.488 -5.678 235 HA LYS 31 HA LYS 31 22.395 -5.288 -6.275 236 HB2 LYS 31 HB2 LYS 31 19.436 -5.844 -6.107 237 HB3 LYS 31 HB3 LYS 31 20.266 -4.736 -7.192 238 HG2 LYS 31 HG2 LYS 31 20.298 -7.742 -7.261 239 HG3 LYS 31 HG3 LYS 31 19.616 -6.637 -8.457 240 HD2 LYS 31 HD2 LYS 31 22.540 -6.922 -7.762 241 HD3 LYS 31 HD3 LYS 31 21.752 -7.538 -9.217 242 HE2 LYS 31 HE2 LYS 31 22.087 -4.654 -8.406 243 HE3 LYS 31 HE3 LYS 31 22.880 -5.480 -9.746 244 HZ1 LYS 31 HZ1 LYS 31 20.572 -5.867 -10.641 245 HZ2 LYS 31 HZ2 LYS 31 21.120 -4.268 -10.681 246 HZ3 LYS 31 HZ3 LYS 31 20.021 -4.755 -9.491 247 H ALA 32 H ALA 32 22.596 -5.697 -3.441 248 HA ALA 32 HA ALA 32 20.708 -3.961 -2.140 249 HB1 ALA 32 HB1 ALA 32 23.310 -4.736 -0.900 250 HB2 ALA 32 HB2 ALA 32 21.720 -4.550 -0.158 251 HB3 ALA 32 HB3 ALA 32 22.067 -5.960 -1.159 252 H GLN 33 H GLN 33 22.137 -2.400 -0.466 253 HA GLN 33 HA GLN 33 23.372 -0.475 -2.307 254 HB2 GLN 33 HB2 GLN 33 21.750 -0.228 0.169 255 HB3 GLN 33 HB3 GLN 33 22.992 0.988 -0.096 256 HG2 GLN 33 HG2 GLN 33 21.907 1.123 -2.478 257 HG3 GLN 33 HG3 GLN 33 20.514 0.438 -1.642 258 HE21 GLN 33 HE22 GLN 33 21.938 3.240 -2.570 259 HE22 GLN 33 HE21 GLN 33 21.218 4.325 -1.435 260 H HIS 34 H HIS 34 23.808 -2.027 0.841 261 HA HIS 34 HA HIS 34 26.688 -1.659 0.583 262 HB2 HIS 34 HB2 HIS 34 25.611 0.253 1.954 263 HB3 HIS 34 HB3 HIS 34 25.381 -0.968 3.202 264 HD1 HIS 34 HD1 HIS 34 27.630 -2.102 4.121 265 HD2 HIS 34 HD2 HIS 34 28.115 1.346 1.855 266 HE1 HIS 34 HE1 HIS 34 29.965 -1.303 4.604 267 H GLY 35 H GLY 35 27.900 -3.242 1.585 268 HA2 GLY 35 HA2 GLY 35 26.477 -5.228 3.213 269 HA3 GLY 35 HA3 GLY 35 27.289 -5.771 1.752 270 H ALA 36 H ALA 36 27.817 -6.583 4.474 271 HA ALA 36 HA ALA 36 30.663 -5.887 4.557 272 HB1 ALA 36 HB1 ALA 36 29.996 -6.142 7.231 273 HB2 ALA 36 HB2 ALA 36 30.362 -4.642 6.378 274 HB3 ALA 36 HB3 ALA 36 28.689 -5.170 6.553 275 H CYS 37 H CYS 37 31.937 -7.415 5.873 276 HA CYS 37 HA CYS 37 30.696 -10.088 5.932 277 HB2 CYS 37 HB2 CYS 37 32.418 -9.680 4.104 278 HB3 CYS 37 HB3 CYS 37 33.616 -9.554 5.389 279 H HIS 38 H HIS 38 31.099 -11.388 7.677 280 HA HIS 38 HA HIS 38 32.974 -10.480 9.722 281 HB2 HIS 38 HB2 HIS 38 30.850 -9.429 10.340 282 HB3 HIS 38 HB3 HIS 38 30.044 -10.993 10.276 283 HD1 HIS 38 HD1 HIS 38 29.374 -10.868 12.761 284 HD2 HIS 38 HD2 HIS 38 33.474 -10.726 12.109 285 HE1 HIS 38 HE1 HIS 38 30.426 -11.217 15.018 286 H LYS 39 H LYS 39 34.046 -12.128 10.612 287 HA LYS 39 HA LYS 39 33.108 -14.848 10.026 288 HB2 LYS 39 HB2 LYS 39 35.351 -14.237 9.198 289 HB3 LYS 39 HB3 LYS 39 35.857 -13.890 10.846 290 HG2 LYS 39 HG2 LYS 39 34.755 -16.584 10.275 291 HG3 LYS 39 HG3 LYS 39 36.370 -16.201 9.675 292 HD2 LYS 39 HD2 LYS 39 35.855 -15.425 12.466 293 HD3 LYS 39 HD3 LYS 39 35.842 -17.163 12.156 294 HE2 LYS 39 HE2 LYS 39 38.048 -16.635 10.848 295 HE3 LYS 39 HE3 LYS 39 38.065 -15.193 11.861 296 HZ1 LYS 39 HZ1 LYS 39 37.512 -17.350 13.521 297 HZ2 LYS 39 HZ2 LYS 39 38.924 -16.421 13.471 298 HZ3 LYS 39 HZ3 LYS 39 38.804 -17.825 12.536 299 H ARG 40 H ARG 40 32.426 -16.145 11.605 300 HA ARG 40 HA ARG 40 33.454 -16.295 14.191 301 HB2 ARG 40 HB2 ARG 40 31.616 -14.116 13.817 302 HB3 ARG 40 HB3 ARG 40 30.916 -15.295 14.918 303 HG2 ARG 40 HG2 ARG 40 33.713 -14.690 15.487 304 HG3 ARG 40 HG3 ARG 40 32.641 -13.294 15.612 305 HD2 ARG 40 HD2 ARG 40 31.653 -15.784 16.839 306 HD3 ARG 40 HD3 ARG 40 33.066 -15.062 17.608 307 HE ARG 40 HE ARG 40 30.993 -13.157 17.107 308 HH11 ARG 40 HH12 ARG 40 32.081 -15.638 19.293 309 HH12 ARG 40 HH11 ARG 40 31.242 -14.984 20.661 310 HH21 ARG 40 HH22 ARG 40 29.884 -12.286 18.900 311 HH22 ARG 40 HH21 ARG 40 29.992 -13.078 20.436 312 H GLU 41 H GLU 41 31.723 -17.385 15.724 313 HA GLU 41 HA GLU 41 30.513 -19.273 16.113 314 HB2 GLU 41 HB2 GLU 41 29.108 -17.957 13.842 315 HB3 GLU 41 HB3 GLU 41 28.638 -19.601 14.247 316 HG2 GLU 41 HG2 GLU 41 27.896 -18.996 16.371 317 HG3 GLU 41 HG3 GLU 41 28.773 -17.467 16.341 318 H ALA 42 H ALA 42 32.021 -20.872 15.865 319 HA ALA 42 HA ALA 42 33.114 -22.650 14.951 320 HB1 ALA 42 HB1 ALA 42 30.411 -22.841 14.252 321 HB2 ALA 42 HB2 ALA 42 31.313 -23.260 12.795 322 HB3 ALA 42 HB3 ALA 42 31.604 -24.140 14.296 323 H GLY 43 H GLY 43 33.538 -19.931 13.792 324 HA2 GLY 43 HA2 GLY 43 34.942 -19.075 12.179 325 HA3 GLY 43 HA3 GLY 43 35.247 -20.722 11.650 326 H LYS 44 H LYS 44 32.007 -19.463 11.809 327 HA LYS 44 HA LYS 44 31.763 -19.799 8.926 328 HB2 LYS 44 HB2 LYS 44 29.687 -19.269 11.060 329 HB3 LYS 44 HB3 LYS 44 29.329 -19.511 9.355 330 HG2 LYS 44 HG2 LYS 44 30.189 -21.768 9.458 331 HG3 LYS 44 HG3 LYS 44 30.665 -21.534 11.142 332 HD2 LYS 44 HD2 LYS 44 27.947 -20.825 10.977 333 HD3 LYS 44 HD3 LYS 44 28.126 -22.327 10.066 334 HE2 LYS 44 HE2 LYS 44 29.318 -21.995 12.800 335 HE3 LYS 44 HE3 LYS 44 27.639 -22.485 12.583 336 HZ1 LYS 44 HZ1 LYS 44 29.971 -23.906 11.416 337 HZ2 LYS 44 HZ2 LYS 44 28.354 -24.400 11.352 338 HZ3 LYS 44 HZ3 LYS 44 29.172 -24.373 12.833 339 H GLU 45 H GLU 45 31.902 -18.152 7.563 340 HA GLU 45 HA GLU 45 31.870 -15.430 8.588 341 HB2 GLU 45 HB2 GLU 45 32.668 -16.679 5.974 342 HB3 GLU 45 HB3 GLU 45 32.446 -14.941 6.109 343 HG2 GLU 45 HG2 GLU 45 34.361 -14.653 7.228 344 HG3 GLU 45 HG3 GLU 45 34.135 -16.109 8.195 345 H SER 46 H SER 46 30.183 -14.110 8.449 346 HA SER 46 HA SER 46 28.019 -14.801 6.570 347 HB2 SER 46 HB2 SER 46 27.663 -13.372 9.210 348 HB3 SER 46 HB3 SER 46 26.403 -14.019 8.160 349 HG SER 46 HG SER 46 26.984 -15.343 10.026 350 H CYS 47 H CYS 47 27.250 -13.234 5.259 351 HA CYS 47 HA CYS 47 28.481 -10.570 5.507 352 HB2 CYS 47 HB2 CYS 47 28.118 -12.374 3.253 353 HB3 CYS 47 HB3 CYS 47 27.455 -10.776 2.927 354 H PHE 48 H PHE 48 27.155 -9.028 6.167 355 HA PHE 48 HA PHE 48 24.274 -9.322 5.652 356 HB2 PHE 48 HB2 PHE 48 24.136 -7.524 7.504 357 HB3 PHE 48 HB3 PHE 48 24.544 -9.171 7.973 358 HD1 PHE 48 HD1 PHE 48 26.814 -9.744 8.655 359 HD2 PHE 48 HD2 PHE 48 25.730 -5.745 7.682 360 HE1 PHE 48 HE1 PHE 48 28.864 -8.928 9.742 361 HE2 PHE 48 HE2 PHE 48 27.779 -4.922 8.767 362 HZ PHE 48 HZ PHE 48 29.350 -6.514 9.799 363 H CYS 49 H CYS 49 23.257 -7.915 4.371 364 HA CYS 49 HA CYS 49 24.612 -5.388 3.707 365 HB2 CYS 49 HB2 CYS 49 22.957 -6.739 1.627 366 HB3 CYS 49 HB3 CYS 49 24.349 -5.678 1.438 367 H TYR 50 H TYR 50 23.201 -3.673 3.000 368 HA TYR 50 HA TYR 50 20.370 -4.037 3.687 369 HB2 TYR 50 HB2 TYR 50 21.937 -1.619 4.580 370 HB3 TYR 50 HB3 TYR 50 20.309 -2.089 5.053 371 HD1 TYR 50 HD2 TYR 50 23.891 -2.814 5.489 372 HD2 TYR 50 HD1 TYR 50 19.939 -3.696 6.796 373 HE1 TYR 50 HE2 TYR 50 24.806 -3.981 7.451 374 HE2 TYR 50 HE1 TYR 50 20.844 -4.864 8.763 375 HH TYR 50 HH TYR 50 22.669 -5.519 9.838 376 H PHE 51 H PHE 51 18.951 -2.911 2.442 377 HA PHE 51 HA PHE 51 19.915 -0.806 0.680 378 HB2 PHE 51 HB2 PHE 51 19.126 -1.848 -1.349 379 HB3 PHE 51 HB3 PHE 51 20.252 -2.947 -0.559 380 HD1 PHE 51 HD2 PHE 51 19.145 -4.714 1.032 381 HD2 PHE 51 HD1 PHE 51 17.112 -2.663 -2.095 382 HE1 PHE 51 HE2 PHE 51 17.449 -6.494 0.972 383 HE2 PHE 51 HE1 PHE 51 15.412 -4.440 -2.159 384 HZ PHE 51 HZ PHE 51 15.579 -6.360 -0.625 385 H ASP 52 H ASP 52 18.209 0.424 -0.300 386 HA ASP 52 HA ASP 52 15.973 0.773 1.419 387 HB2 ASP 52 HB2 ASP 52 15.238 2.391 -0.432 388 HB3 ASP 52 HB3 ASP 52 16.761 2.735 0.383 389 H CYS 53 H CYS 53 13.997 -0.083 1.338 390 HA CYS 53 HA CYS 53 13.268 -1.646 -1.051 391 HB2 CYS 53 HB2 CYS 53 13.130 -2.232 1.816 392 HB3 CYS 53 HB3 CYS 53 11.620 -2.549 0.967 393 H SER 54 H SER 54 11.114 -1.583 -1.781 394 HA SER 54 HA SER 54 9.107 -0.627 -2.273 395 HB2 SER 54 HB2 SER 54 9.374 -0.287 0.610 396 HB3 SER 54 HB3 SER 54 8.402 0.988 -0.125 397 HG SER 54 HG SER 54 7.828 -1.660 0.242 398 H LYS 55 H LYS 55 10.307 1.947 -0.153 399 HA LYS 55 HA LYS 55 11.162 3.595 -2.344 400 HB2 LYS 55 HB2 LYS 55 8.444 3.689 -1.689 401 HB3 LYS 55 HB3 LYS 55 9.140 5.112 -0.925 402 HG2 LYS 55 HG2 LYS 55 8.765 6.054 -2.923 403 HG3 LYS 55 HG3 LYS 55 10.281 5.265 -3.364 404 HD2 LYS 55 HD2 LYS 55 8.113 3.414 -3.653 405 HD3 LYS 55 HD3 LYS 55 7.738 4.904 -4.521 406 HE2 LYS 55 HE2 LYS 55 9.926 4.762 -5.649 407 HE3 LYS 55 HE3 LYS 55 10.235 3.238 -4.819 408 HZ1 LYS 55 HZ1 LYS 55 8.585 2.160 -6.021 409 HZ2 LYS 55 HZ2 LYS 55 9.314 3.152 -7.181 410 HZ3 LYS 55 HZ3 LYS 55 7.833 3.599 -6.497 411 H SER 56 H SER 56 12.179 2.538 0.194 412 HA SER 56 HA SER 56 12.340 4.699 2.061 413 HB2 SER 56 HB2 SER 56 12.985 1.960 2.066 414 HB3 SER 56 HB3 SER 56 14.506 2.810 2.337 415 HG SER 56 HG SER 56 12.124 3.338 3.782 416 HA PRO 57 HA PRO 57 15.676 7.046 0.443 417 HB2 PRO 57 HB2 PRO 57 16.933 7.832 2.717 418 HB3 PRO 57 HB3 PRO 57 15.370 8.483 2.209 419 HG2 PRO 57 HG2 PRO 57 15.969 6.347 4.220 420 HG3 PRO 57 HG3 PRO 57 14.810 7.685 4.321 421 HD2 PRO 57 HD2 PRO 57 14.066 5.156 3.703 422 HD3 PRO 57 HD3 PRO 57 13.235 6.582 3.049 423 HA PRO 58 HA PRO 58 19.421 4.759 0.157 424 HB2 PRO 58 HB2 PRO 58 21.322 6.697 0.102 425 HB3 PRO 58 HB3 PRO 58 20.219 6.393 -1.246 426 HG2 PRO 58 HG2 PRO 58 20.069 8.485 0.890 427 HG3 PRO 58 HG3 PRO 58 19.768 8.640 -0.851 428 HD2 PRO 58 HD2 PRO 58 17.767 8.422 0.960 429 HD3 PRO 58 HD3 PRO 58 17.639 7.773 -0.687 430 H GLY 59 H GLY 59 18.985 3.974 2.435 431 HA2 GLY 59 HA2 GLY 59 20.351 3.194 4.215 432 HA3 GLY 59 HA3 GLY 59 21.305 4.665 4.092 433 H ALA 60 H ALA 60 18.710 3.100 5.654 434 HA ALA 60 HA ALA 60 18.499 5.220 7.579 435 HB1 ALA 60 HB1 ALA 60 16.383 4.823 5.537 436 HB2 ALA 60 HB2 ALA 60 15.877 5.158 7.193 437 HB3 ALA 60 HB3 ALA 60 16.920 6.297 6.341 438 H THR 61 H THR 61 19.404 2.991 8.359 439 HA THR 61 HA THR 61 19.148 1.070 9.575 440 HB THR 61 HB THR 61 18.341 2.791 11.170 441 HG1 THR 61 HG1 THR 61 17.997 1.176 12.492 442 HG21 THR 61 HG21 THR 61 15.824 2.802 11.560 443 HG22 THR 61 HG22 THR 61 15.680 2.080 9.957 444 HG23 THR 61 HG23 THR 61 16.407 3.675 10.144 445 HA PRO 62 HA PRO 62 16.462 -1.661 7.400 446 HB2 PRO 62 HB2 PRO 62 16.655 -3.824 9.028 447 HB3 PRO 62 HB3 PRO 62 17.956 -3.319 7.944 448 HG2 PRO 62 HG2 PRO 62 17.636 -2.824 10.879 449 HG3 PRO 62 HG3 PRO 62 19.088 -3.294 9.975 450 HD2 PRO 62 HD2 PRO 62 18.621 -0.745 10.760 451 HD3 PRO 62 HD3 PRO 62 19.497 -1.139 9.267 452 H ALA 63 H ALA 63 14.766 -3.499 8.239 453 HA ALA 63 HA ALA 63 12.882 -2.045 9.978 454 HB1 ALA 63 HB1 ALA 63 12.407 -2.566 7.436 455 HB2 ALA 63 HB2 ALA 63 11.920 -4.131 8.091 456 HB3 ALA 63 HB3 ALA 63 11.129 -2.657 8.648 457 HA PRO 64 HA PRO 64 14.035 -5.969 12.179 458 HB2 PRO 64 HB2 PRO 64 14.295 -4.800 14.616 459 HB3 PRO 64 HB3 PRO 64 15.616 -4.881 13.443 460 HG2 PRO 64 HG2 PRO 64 13.759 -2.614 14.051 461 HG3 PRO 64 HG3 PRO 64 15.510 -2.583 13.777 462 HD2 PRO 64 HD2 PRO 64 13.723 -1.895 11.862 463 HD3 PRO 64 HD3 PRO 64 15.279 -2.662 11.485 464 HA PRO 65 HA PRO 65 10.069 -6.779 13.896 465 HB2 PRO 65 HB2 PRO 65 10.652 -8.308 16.062 466 HB3 PRO 65 HB3 PRO 65 10.814 -8.892 14.402 467 HG2 PRO 65 HG2 PRO 65 12.920 -7.849 16.256 468 HG3 PRO 65 HG3 PRO 65 12.980 -9.249 15.170 469 HD2 PRO 65 HD2 PRO 65 14.115 -6.871 14.546 470 HD3 PRO 65 HD3 PRO 65 13.424 -7.952 13.318 471 H GLY 66 H GLY 66 12.484 -5.445 16.076 472 HA2 GLY 66 HA2 GLY 66 10.491 -3.724 17.268 473 HA3 GLY 66 HA3 GLY 66 11.160 -4.916 18.374 474 H ALA 67 H ALA 67 12.699 -3.030 15.784 475 HA ALA 67 HA ALA 67 14.561 -1.716 15.780 476 HB1 ALA 67 HB1 ALA 67 12.849 -0.788 17.905 477 HB2 ALA 67 HB2 ALA 67 14.545 -0.468 18.273 478 HB3 ALA 67 HB3 ALA 67 13.838 0.135 16.773 479 H ALA 68 H ALA 68 16.055 -3.438 15.810 480 HA ALA 68 HA ALA 68 17.722 -3.471 18.181 481 HB1 ALA 68 HB1 ALA 68 16.037 -5.757 17.385 482 HB2 ALA 68 HB2 ALA 68 17.713 -6.132 17.790 483 HB3 ALA 68 HB3 ALA 68 16.684 -5.314 18.966 484 HA PRO 69 HA PRO 69 19.972 -3.590 14.119 485 HB2 PRO 69 HB2 PRO 69 21.675 -1.568 14.738 486 HB3 PRO 69 HB3 PRO 69 20.079 -1.297 14.028 487 HG2 PRO 69 HG2 PRO 69 20.939 -1.093 16.888 488 HG3 PRO 69 HG3 PRO 69 19.889 -0.010 15.955 489 HD2 PRO 69 HD2 PRO 69 18.915 -1.857 17.679 490 HD3 PRO 69 HD3 PRO 69 18.048 -1.374 16.207 491 HA PRO 70 HA PRO 70 23.459 -5.867 15.531 492 HB2 PRO 70 HB2 PRO 70 25.395 -5.158 13.765 493 HB3 PRO 70 HB3 PRO 70 24.030 -6.193 13.330 494 HG2 PRO 70 HG2 PRO 70 24.411 -3.262 12.858 495 HG3 PRO 70 HG3 PRO 70 23.770 -4.498 11.760 496 HD2 PRO 70 HD2 PRO 70 22.170 -2.802 13.136 497 HD3 PRO 70 HD3 PRO 70 21.681 -4.460 12.733 498 HA PRO 71 HA PRO 71 26.133 -3.552 18.143 499 HB2 PRO 71 HB2 PRO 71 28.446 -4.971 18.045 500 HB3 PRO 71 HB3 PRO 71 26.999 -5.548 18.882 501 HG2 PRO 71 HG2 PRO 71 28.025 -6.259 16.161 502 HG3 PRO 71 HG3 PRO 71 27.354 -7.318 17.415 503 HD2 PRO 71 HD2 PRO 71 25.905 -6.481 15.286 504 HD3 PRO 71 HD3 PRO 71 25.177 -6.785 16.876 505 H ALA 72 H ALA 72 27.757 -1.999 18.178 506 HA ALA 72 HA ALA 72 28.327 -0.609 15.863 507 HB1 ALA 72 HB1 ALA 72 28.888 0.807 17.486 508 HB2 ALA 72 HB2 ALA 72 29.169 -0.504 18.633 509 HB3 ALA 72 HB3 ALA 72 30.453 -0.007 17.531 510 H ALA 73 H ALA 73 29.457 -1.203 14.142 511 HA ALA 73 HA ALA 73 31.921 -2.770 14.549 512 HB1 ALA 73 HB1 ALA 73 30.475 -4.311 13.563 513 HB2 ALA 73 HB2 ALA 73 29.769 -3.104 12.488 514 HB3 ALA 73 HB3 ALA 73 31.411 -3.684 12.205 515 H GLY 74 H GLY 74 33.429 -2.594 12.621 516 HA2 GLY 74 HA2 GLY 74 33.653 0.244 11.932 517 HA3 GLY 74 HA3 GLY 74 34.941 -0.947 11.838 518 H GLY 75 H GLY 75 34.523 -2.734 10.177 519 HA2 GLY 75 HA2 GLY 75 33.508 -3.355 8.088 520 HA3 GLY 75 HA3 GLY 75 33.100 -1.665 7.831 521 H SER 76 H SER 76 35.014 -4.041 6.736 522 HA SER 76 HA SER 76 36.845 -4.117 5.386 523 HB2 SER 76 HB2 SER 76 36.989 -2.437 3.877 524 HB3 SER 76 HB3 SER 76 35.585 -1.780 4.717 525 HG SER 76 HG SER 76 37.352 -0.281 4.471 526 HA PRO 77 HA PRO 77 40.414 -3.553 7.872 527 HB2 PRO 77 HB2 PRO 77 42.379 -3.263 6.021 528 HB3 PRO 77 HB3 PRO 77 41.570 -4.804 6.331 529 HG2 PRO 77 HG2 PRO 77 41.080 -2.812 4.151 530 HG3 PRO 77 HG3 PRO 77 41.159 -4.580 4.053 531 HD2 PRO 77 HD2 PRO 77 38.814 -3.228 4.113 532 HD3 PRO 77 HD3 PRO 77 39.002 -4.845 4.821 533 H SER 78 H SER 78 39.647 -1.461 8.692 534 HA SER 78 HA SER 78 40.004 0.712 9.265 535 HB2 SER 78 HB2 SER 78 42.569 -0.210 8.214 536 HB3 SER 78 HB3 SER 78 42.344 1.528 8.025 537 HG SER 78 HG SER 78 42.956 0.171 10.231 538 HA PRO 79 HA PRO 79 38.465 3.257 6.042 539 HB2 PRO 79 HB2 PRO 79 39.371 5.716 6.753 540 HB3 PRO 79 HB3 PRO 79 38.086 4.875 7.629 541 HG2 PRO 79 HG2 PRO 79 40.998 5.096 8.288 542 HG3 PRO 79 HG3 PRO 79 39.595 5.231 9.363 543 HD2 PRO 79 HD2 PRO 79 41.081 2.975 9.184 544 HD3 PRO 79 HD3 PRO 79 39.339 2.946 9.522 545 HA PRO 80 HA PRO 80 41.389 4.001 2.844 546 HB2 PRO 80 HB2 PRO 80 40.389 6.205 1.615 547 HB3 PRO 80 HB3 PRO 80 39.632 4.612 1.497 548 HG2 PRO 80 HG2 PRO 80 38.914 6.924 3.258 549 HG3 PRO 80 HG3 PRO 80 37.849 5.847 2.337 550 HD2 PRO 80 HD2 PRO 80 38.267 5.556 4.996 551 HD3 PRO 80 HD3 PRO 80 37.957 4.177 3.922 552 H ALA 81 H ALA 81 43.247 4.527 4.058 553 HA ALA 81 HA ALA 81 44.362 7.052 3.556 554 HB1 ALA 81 HB1 ALA 81 44.011 8.303 5.381 555 HB2 ALA 81 HB2 ALA 81 42.633 7.236 5.653 556 HB3 ALA 81 HB3 ALA 81 44.162 6.926 6.474 557 H ASP 82 H ASP 82 46.503 7.326 4.635 558 HA ASP 82 HA ASP 82 47.672 5.119 6.018 559 HB2 ASP 82 HB2 ASP 82 47.955 5.318 3.069 560 HB3 ASP 82 HB3 ASP 82 49.414 4.940 3.982 561 H GLY 83 H GLY 83 48.916 7.450 3.619 562 HA2 GLY 83 HA2 GLY 83 50.526 9.077 3.802 563 HA3 GLY 83 HA3 GLY 83 49.808 9.402 5.373 564 H GLY 84 H GLY 84 52.151 9.990 5.749 565 HA2 GLY 84 HA2 GLY 84 53.816 7.626 6.279 566 HA3 GLY 84 HA3 GLY 84 54.389 9.285 6.190 567 H SER 85 H SER 85 52.106 10.195 7.887 568 HA SER 85 HA SER 85 51.696 10.628 10.082 569 HB2 SER 85 HB2 SER 85 51.295 8.065 9.971 570 HB3 SER 85 HB3 SER 85 52.842 7.943 10.808 571 HG SER 85 HG SER 85 50.465 9.201 11.685 572 HA PRO 86 HA PRO 86 56.222 11.583 10.643 573 HB2 PRO 86 HB2 PRO 86 55.902 14.279 10.652 574 HB3 PRO 86 HB3 PRO 86 56.134 13.344 9.170 575 HG2 PRO 86 HG2 PRO 86 53.600 14.392 10.371 576 HG3 PRO 86 HG3 PRO 86 54.120 14.394 8.675 577 HD2 PRO 86 HD2 PRO 86 52.369 12.578 9.661 578 HD3 PRO 86 HD3 PRO 86 53.509 12.195 8.355 579 HA PRO 87 HA PRO 87 55.997 12.360 14.965 580 HB2 PRO 87 HB2 PRO 87 58.143 13.964 15.400 581 HB3 PRO 87 HB3 PRO 87 58.291 12.244 15.019 582 HG2 PRO 87 HG2 PRO 87 58.583 14.617 13.216 583 HG3 PRO 87 HG3 PRO 87 59.578 13.151 13.307 584 HD2 PRO 87 HD2 PRO 87 57.680 13.508 11.409 585 HD3 PRO 87 HD3 PRO 87 58.085 11.909 12.066 586 HA PRO 88 HA PRO 88 53.994 16.143 15.971 587 HB2 PRO 88 HB2 PRO 88 54.828 16.607 18.513 588 HB3 PRO 88 HB3 PRO 88 53.692 15.319 18.095 589 HG2 PRO 88 HG2 PRO 88 56.640 15.158 18.593 590 HG3 PRO 88 HG3 PRO 88 55.351 14.072 19.145 591 HD2 PRO 88 HD2 PRO 88 56.936 13.493 17.028 592 HD3 PRO 88 HD3 PRO 88 55.243 12.968 17.125 593 HA PRO 89 HA PRO 89 56.521 19.689 15.362 594 HB2 PRO 89 HB2 PRO 89 55.274 21.580 16.859 595 HB3 PRO 89 HB3 PRO 89 54.600 20.950 15.351 596 HG2 PRO 89 HG2 PRO 89 53.942 20.209 18.176 597 HG3 PRO 89 HG3 PRO 89 52.848 20.480 16.806 598 HD2 PRO 89 HD2 PRO 89 53.558 18.002 17.637 599 HD3 PRO 89 HD3 PRO 89 53.216 18.378 15.936 600 H ALA 90 H ALA 90 57.368 21.710 16.808 601 HA ALA 90 HA ALA 90 58.175 21.024 19.468 602 HB1 ALA 90 HB1 ALA 90 60.404 21.155 17.455 603 HB2 ALA 90 HB2 ALA 90 60.486 20.682 19.153 604 HB3 ALA 90 HB3 ALA 90 59.685 19.633 17.983 605 H ASP 91 H ASP 91 56.816 23.205 18.466 606 HA ASP 91 HA ASP 91 58.780 25.359 18.875 607 HB2 ASP 91 HB2 ASP 91 57.173 26.749 17.402 608 HB3 ASP 91 HB3 ASP 91 58.266 25.620 16.606 609 H GLY 92 H GLY 92 58.020 27.217 19.981 610 HA2 GLY 92 HA2 GLY 92 55.943 26.598 21.908 611 HA3 GLY 92 HA3 GLY 92 57.003 27.999 21.927 612 H GLY 93 H GLY 93 53.887 26.893 21.311 613 HA2 GLY 93 HA2 GLY 93 53.031 29.546 20.556 614 HA3 GLY 93 HA3 GLY 93 52.822 28.348 19.288 615 H SER 94 H SER 94 50.943 27.316 19.240 616 HA SER 94 HA SER 94 48.864 26.599 19.823 617 HB2 SER 94 HB2 SER 94 50.192 26.228 22.519 618 HB3 SER 94 HB3 SER 94 48.638 25.538 22.049 619 HG SER 94 HG SER 94 50.842 25.055 20.403 620 HA PRO 95 HA PRO 95 47.549 27.559 18.814 621 HB2 PRO 95 HB2 PRO 95 46.918 29.871 17.538 622 HB3 PRO 95 HB3 PRO 95 45.756 28.963 18.512 623 HG2 PRO 95 HG2 PRO 95 47.360 31.383 19.243 624 HG3 PRO 95 HG3 PRO 95 45.656 31.027 19.579 625 HD2 PRO 95 HD2 PRO 95 47.603 30.711 21.433 626 HD3 PRO 95 HD3 PRO 95 46.161 29.676 21.376 627 HA PRO 96 HA PRO 96 51.391 28.371 16.831 628 HB2 PRO 96 HB2 PRO 96 50.734 28.045 14.217 629 HB3 PRO 96 HB3 PRO 96 50.855 26.696 15.352 630 HG2 PRO 96 HG2 PRO 96 48.421 28.147 14.387 631 HG3 PRO 96 HG3 PRO 96 48.671 26.406 14.609 632 HD2 PRO 96 HD2 PRO 96 47.338 27.927 16.410 633 HD3 PRO 96 HD3 PRO 96 48.305 26.515 16.882 634 H VAL 97 H VAL 97 52.298 29.624 14.828 635 HA VAL 97 HA VAL 97 50.893 32.188 14.519 636 HB VAL 97 HB VAL 97 53.061 33.379 14.703 637 HG11 VAL 97 HG11 VAL 97 53.228 33.252 17.154 638 HG12 VAL 97 HG12 VAL 97 51.553 33.319 16.604 639 HG13 VAL 97 HG13 VAL 97 52.248 31.786 17.133 640 HG21 VAL 97 HG21 VAL 97 54.495 31.420 16.214 641 HG22 VAL 97 HG22 VAL 97 54.112 30.765 14.622 642 HG23 VAL 97 HG23 VAL 97 54.994 32.286 14.761 643 H ASP 98 H ASP 98 51.080 33.153 12.542 644 HA ASP 98 HA ASP 98 51.560 33.420 10.330 645 HB2 ASP 98 HB2 ASP 98 54.000 32.407 11.459 646 HB3 ASP 98 HB3 ASP 98 53.767 31.718 9.855 647 H GLY 99 H GLY 99 52.793 30.111 10.742 648 HA2 GLY 99 HA2 GLY 99 50.937 28.371 10.284 649 HA3 GLY 99 HA3 GLY 99 50.808 29.231 8.757 650 H GLY 100 H GLY 100 51.293 26.617 8.578 651 HA2 GLY 100 HA2 GLY 100 52.761 25.449 7.136 652 HA3 GLY 100 HA3 GLY 100 54.040 26.575 7.565 653 H SER 101 H SER 101 55.228 26.254 9.464 654 HA SER 101 HA SER 101 56.346 24.992 10.992 655 HB2 SER 101 HB2 SER 101 54.070 25.250 12.107 656 HB3 SER 101 HB3 SER 101 53.708 23.623 11.530 657 HG SER 101 HG SER 101 54.559 23.608 13.653 658 HA PRO 102 HA PRO 102 56.574 21.443 8.003 659 HB2 PRO 102 HB2 PRO 102 59.218 21.754 7.473 660 HB3 PRO 102 HB3 PRO 102 57.953 22.620 6.593 661 HG2 PRO 102 HG2 PRO 102 59.674 23.565 8.852 662 HG3 PRO 102 HG3 PRO 102 59.210 24.417 7.368 663 HD2 PRO 102 HD2 PRO 102 57.997 24.868 9.746 664 HD3 PRO 102 HD3 PRO 102 57.138 24.994 8.197 665 HA PRO 103 HA PRO 103 58.380 20.014 6.959 666 HB2 PRO 103 HB2 PRO 103 58.010 17.325 6.913 667 HB3 PRO 103 HB3 PRO 103 59.598 18.072 7.124 668 HG2 PRO 103 HG2 PRO 103 57.750 16.934 9.186 669 HG3 PRO 103 HG3 PRO 103 59.509 16.760 9.042 670 HD2 PRO 103 HD2 PRO 103 58.354 18.498 10.767 671 HD3 PRO 103 HD3 PRO 103 59.918 18.821 9.990 672 HA PRO 104 HA PRO 104 54.061 19.802 6.161 673 HB2 PRO 104 HB2 PRO 104 53.953 18.503 3.779 674 HB3 PRO 104 HB3 PRO 104 54.540 20.163 3.943 675 HG2 PRO 104 HG2 PRO 104 56.097 17.614 3.729 676 HG3 PRO 104 HG3 PRO 104 56.391 19.175 2.939 677 HD2 PRO 104 HD2 PRO 104 57.761 18.371 5.132 678 HD3 PRO 104 HD3 PRO 104 57.389 20.077 4.811 679 HA PRO 105 HA PRO 105 52.229 15.999 7.391 680 HB2 PRO 105 HB2 PRO 105 49.906 15.968 5.985 681 HB3 PRO 105 HB3 PRO 105 50.193 17.063 7.343 682 HG2 PRO 105 HG2 PRO 105 50.394 17.596 4.404 683 HG3 PRO 105 HG3 PRO 105 49.685 18.605 5.678 684 HD2 PRO 105 HD2 PRO 105 52.155 19.059 4.666 685 HD3 PRO 105 HD3 PRO 105 51.735 19.412 6.355 686 H SER 106 H SER 106 52.977 14.055 6.845 687 HA SER 106 HA SER 106 53.315 12.124 5.678 688 HB2 SER 106 HB2 SER 106 51.745 13.261 3.371 689 HB3 SER 106 HB3 SER 106 51.936 11.573 3.843 690 HG SER 106 HG SER 106 50.812 13.201 5.764 691 H THR 107 H THR 107 53.135 14.539 3.065 692 HA THR 107 HA THR 107 55.376 13.596 1.680 693 HB THR 107 HB THR 107 54.987 16.463 1.348 694 HG1 THR 107 HG1 THR 107 52.794 16.151 0.520 695 HG21 THR 107 HG21 THR 107 55.152 15.937 -0.855 696 HG22 THR 107 HG22 THR 107 54.120 14.515 -0.703 697 HG23 THR 107 HG23 THR 107 55.810 14.434 -0.209 698 H HIS 108 H HIS 108 57.275 15.205 1.184 699 HA HIS 108 HA HIS 108 58.244 16.813 3.316 700 HB2 HIS 108 HB2 HIS 108 60.160 15.396 3.971 701 HB3 HIS 108 HB3 HIS 108 58.617 14.664 4.399 702 HD1 HIS 108 HD1 HIS 108 57.837 12.628 2.894 703 HD2 HIS 108 HD2 HIS 108 61.740 13.912 2.277 704 HE1 HIS 108 HE1 HIS 108 58.962 10.772 1.624 Start of MODEL 19 1 H1 ALA 1 H ALA 1 2.047 -2.661 6.233 2 HA ALA 1 HA ALA 1 4.485 -1.248 7.102 3 HB1 ALA 1 HB1 ALA 1 4.654 -3.528 7.772 4 HB2 ALA 1 HB2 ALA 1 4.141 -4.095 6.183 5 HB3 ALA 1 HB3 ALA 1 5.708 -3.309 6.375 6 H GLY 2 H GLY 2 5.830 -0.401 5.571 7 HA2 GLY 2 HA2 GLY 2 5.429 -1.022 2.761 8 HA3 GLY 2 HA3 GLY 2 5.008 0.616 3.237 9 H SER 3 H SER 3 6.555 2.075 3.000 10 HA SER 3 HA SER 3 9.097 1.542 2.052 11 HB2 SER 3 HB2 SER 3 8.805 3.968 3.737 12 HB3 SER 3 HB3 SER 3 9.419 3.804 2.092 13 HG SER 3 HG SER 3 7.160 4.781 2.663 14 H LYS 4 H LYS 4 10.921 0.825 2.931 15 HA LYS 4 HA LYS 4 11.871 1.464 5.488 16 HB2 LYS 4 HB2 LYS 4 11.664 -0.841 6.514 17 HB3 LYS 4 HB3 LYS 4 10.180 0.102 6.446 18 HG2 LYS 4 HG2 LYS 4 9.182 -1.557 5.382 19 HG3 LYS 4 HG3 LYS 4 10.339 -1.407 4.058 20 HD2 LYS 4 HD2 LYS 4 10.924 -3.504 4.604 21 HD3 LYS 4 HD3 LYS 4 11.804 -2.745 5.933 22 HE2 LYS 4 HE2 LYS 4 8.935 -3.638 6.137 23 HE3 LYS 4 HE3 LYS 4 10.302 -4.663 6.573 24 HZ1 LYS 4 HZ1 LYS 4 10.048 -3.747 8.580 25 HZ2 LYS 4 HZ2 LYS 4 9.140 -2.444 8.000 26 HZ3 LYS 4 HZ3 LYS 4 10.830 -2.397 7.924 27 H LEU 5 H LEU 5 13.788 0.093 6.102 28 HA LEU 5 HA LEU 5 15.271 -0.543 3.679 29 HB2 LEU 5 HB2 LEU 5 15.990 0.012 6.522 30 HB3 LEU 5 HB3 LEU 5 17.135 -0.845 5.492 31 HG LEU 5 HG LEU 5 16.529 1.311 3.943 32 HD11 LEU 5 HD11 LEU 5 15.353 2.023 6.272 33 HD12 LEU 5 HD12 LEU 5 16.011 3.164 5.101 34 HD13 LEU 5 HD13 LEU 5 16.971 2.687 6.501 35 HD21 LEU 5 HD21 LEU 5 18.682 2.187 5.404 36 HD22 LEU 5 HD22 LEU 5 18.750 1.091 4.024 37 HD23 LEU 5 HD23 LEU 5 18.716 0.443 5.664 38 H CYS 6 H CYS 6 16.449 -2.492 3.408 39 HA CYS 6 HA CYS 6 15.391 -4.755 4.974 40 HB2 CYS 6 HB2 CYS 6 15.894 -4.474 2.025 41 HB3 CYS 6 HB3 CYS 6 15.911 -6.061 2.788 42 H GLU 7 H GLU 7 16.801 -6.409 5.529 43 HA GLU 7 HA GLU 7 19.641 -5.987 4.897 44 HB2 GLU 7 HB2 GLU 7 20.280 -6.438 7.183 45 HB3 GLU 7 HB3 GLU 7 19.142 -5.098 7.157 46 HG2 GLU 7 HG2 GLU 7 17.340 -6.626 7.801 47 HG3 GLU 7 HG3 GLU 7 18.498 -7.953 7.857 48 H LYS 8 H LYS 8 20.796 -7.797 4.475 49 HA LYS 8 HA LYS 8 19.479 -10.394 4.915 50 HB2 LYS 8 HB2 LYS 8 20.305 -9.157 2.412 51 HB3 LYS 8 HB3 LYS 8 21.051 -10.733 2.647 52 HG2 LYS 8 HG2 LYS 8 19.184 -11.600 1.819 53 HG3 LYS 8 HG3 LYS 8 18.412 -11.153 3.342 54 HD2 LYS 8 HD2 LYS 8 17.818 -8.967 2.367 55 HD3 LYS 8 HD3 LYS 8 18.536 -9.474 0.836 56 HE2 LYS 8 HE2 LYS 8 16.352 -10.004 0.433 57 HE3 LYS 8 HE3 LYS 8 16.897 -11.520 1.150 58 HZ1 LYS 8 HZ1 LYS 8 16.034 -9.711 3.157 59 HZ2 LYS 8 HZ2 LYS 8 15.472 -11.268 2.811 60 HZ3 LYS 8 HZ3 LYS 8 14.813 -9.934 2.007 61 H THR 9 H THR 9 20.802 -12.113 5.444 62 HA THR 9 HA THR 9 23.557 -11.380 6.172 63 HB THR 9 HB THR 9 22.268 -13.858 7.226 64 HG1 THR 9 HG1 THR 9 21.068 -12.744 8.677 65 HG21 THR 9 HG21 THR 9 23.525 -12.854 9.302 66 HG22 THR 9 HG22 THR 9 24.370 -11.915 8.072 67 HG23 THR 9 HG23 THR 9 24.421 -13.677 8.025 68 H SER 10 H SER 10 23.675 -11.826 3.663 69 HA SER 10 HA SER 10 24.628 -13.078 2.019 70 HB2 SER 10 HB2 SER 10 26.316 -14.537 2.615 71 HB3 SER 10 HB3 SER 10 26.124 -13.647 4.126 72 HG SER 10 HG SER 10 25.673 -15.487 5.008 73 H LYS 11 H LYS 11 23.455 -14.129 0.574 74 HA LYS 11 HA LYS 11 22.179 -16.648 1.263 75 HB2 LYS 11 HB2 LYS 11 20.052 -15.746 0.050 76 HB3 LYS 11 HB3 LYS 11 20.299 -15.390 1.755 77 HG2 LYS 11 HG2 LYS 11 19.533 -13.424 0.567 78 HG3 LYS 11 HG3 LYS 11 21.175 -13.185 1.169 79 HD2 LYS 11 HD2 LYS 11 22.086 -13.617 -1.025 80 HD3 LYS 11 HD3 LYS 11 20.484 -14.017 -1.649 81 HE2 LYS 11 HE2 LYS 11 21.413 -11.331 -0.638 82 HE3 LYS 11 HE3 LYS 11 21.088 -11.771 -2.314 83 HZ1 LYS 11 HZ1 LYS 11 19.166 -10.698 -1.677 84 HZ2 LYS 11 HZ2 LYS 11 19.180 -11.340 -0.113 85 HZ3 LYS 11 HZ3 LYS 11 18.751 -12.318 -1.424 86 H THR 12 H THR 12 24.232 -15.261 -0.614 87 HA THR 12 HA THR 12 23.778 -17.022 -2.830 88 HB THR 12 HB THR 12 23.684 -14.047 -3.370 89 HG1 THR 12 HG1 THR 12 21.703 -16.087 -3.532 90 HG21 THR 12 HG21 THR 12 22.951 -15.695 -5.591 91 HG22 THR 12 HG22 THR 12 24.537 -16.190 -5.000 92 HG23 THR 12 HG23 THR 12 24.254 -14.515 -5.471 93 H TYR 13 H TYR 13 25.608 -14.480 -1.287 94 HA TYR 13 HA TYR 13 27.834 -14.229 -2.847 95 HB2 TYR 13 HB2 TYR 13 27.528 -12.978 -0.772 96 HB3 TYR 13 HB3 TYR 13 27.750 -14.448 0.170 97 HD1 TYR 13 HD1 TYR 13 29.427 -11.895 -1.863 98 HD2 TYR 13 HD2 TYR 13 29.953 -15.388 0.509 99 HE1 TYR 13 HE1 TYR 13 31.847 -11.465 -1.777 100 HE2 TYR 13 HE2 TYR 13 32.374 -14.966 0.603 101 HH TYR 13 HH TYR 13 33.774 -12.124 -0.076 102 H SER 14 H SER 14 27.999 -16.344 0.000 103 HA SER 14 HA SER 14 29.107 -18.295 0.380 104 HB2 SER 14 HB2 SER 14 27.633 -18.635 -2.073 105 HB3 SER 14 HB3 SER 14 29.124 -19.574 -2.132 106 HG SER 14 HG SER 14 27.366 -20.720 -1.172 107 H GLY 15 H GLY 15 31.173 -17.596 0.771 108 HA2 GLY 15 HA2 GLY 15 33.214 -18.432 -0.973 109 HA3 GLY 15 HA3 GLY 15 33.003 -16.697 -1.158 110 H LYS 16 H LYS 16 35.321 -16.877 -0.394 111 HA LYS 16 HA LYS 16 35.831 -17.512 2.334 112 HB2 LYS 16 HB2 LYS 16 38.038 -16.656 1.953 113 HB3 LYS 16 HB3 LYS 16 37.548 -17.542 0.516 114 HG2 LYS 16 HG2 LYS 16 36.739 -14.936 0.021 115 HG3 LYS 16 HG3 LYS 16 38.309 -14.771 0.810 116 HD2 LYS 16 HD2 LYS 16 37.837 -16.663 -1.482 117 HD3 LYS 16 HD3 LYS 16 38.324 -14.983 -1.721 118 HE2 LYS 16 HE2 LYS 16 40.413 -15.321 -0.819 119 HE3 LYS 16 HE3 LYS 16 39.886 -16.689 0.160 120 HZ1 LYS 16 HZ1 LYS 16 40.934 -16.652 -2.510 121 HZ2 LYS 16 HZ2 LYS 16 39.508 -17.551 -2.384 122 HZ3 LYS 16 HZ3 LYS 16 40.836 -17.931 -1.407 123 H CYS 17 H CYS 17 34.267 -14.929 0.901 124 HA CYS 17 HA CYS 17 33.425 -12.985 1.735 125 HB2 CYS 17 HB2 CYS 17 33.262 -14.463 3.848 126 HB3 CYS 17 HB3 CYS 17 34.690 -13.592 4.396 127 H ASP 18 H ASP 18 34.074 -10.830 2.186 128 HA ASP 18 HA ASP 18 36.732 -10.141 2.903 129 HB2 ASP 18 HB2 ASP 18 36.585 -10.976 0.305 130 HB3 ASP 18 HB3 ASP 18 36.330 -9.242 0.129 131 H ASN 19 H ASN 19 36.934 -7.697 1.522 132 HA ASN 19 HA ASN 19 34.804 -6.214 2.862 133 HB2 ASN 19 HB2 ASN 19 36.907 -5.359 3.465 134 HB3 ASN 19 HB3 ASN 19 37.527 -5.473 1.820 135 HD21 ASN 19 HD22 ASN 19 34.929 -3.878 3.635 136 HD22 ASN 19 HD21 ASN 19 35.063 -2.360 2.821 137 H LYS 20 H LYS 20 36.612 -5.533 -0.125 138 HA LYS 20 HA LYS 20 34.426 -4.194 -1.334 139 HB2 LYS 20 HB2 LYS 20 36.506 -3.497 -2.117 140 HB3 LYS 20 HB3 LYS 20 37.106 -5.141 -2.284 141 HG2 LYS 20 HG2 LYS 20 35.402 -5.409 -4.151 142 HG3 LYS 20 HG3 LYS 20 35.223 -3.654 -4.084 143 HD2 LYS 20 HD2 LYS 20 37.993 -4.660 -4.208 144 HD3 LYS 20 HD3 LYS 20 37.014 -4.926 -5.652 145 HE2 LYS 20 HE2 LYS 20 38.301 -2.789 -5.661 146 HE3 LYS 20 HE3 LYS 20 36.561 -2.589 -5.858 147 HZ1 LYS 20 HZ1 LYS 20 36.352 -1.900 -3.612 148 HZ2 LYS 20 HZ2 LYS 20 37.621 -1.005 -4.282 149 HZ3 LYS 20 HZ3 LYS 20 37.955 -2.307 -3.255 150 H LYS 21 H LYS 21 35.738 -7.457 -1.635 151 HA LYS 21 HA LYS 21 34.256 -8.339 -3.822 152 HB2 LYS 21 HB2 LYS 21 35.242 -9.853 -1.401 153 HB3 LYS 21 HB3 LYS 21 34.558 -10.626 -2.824 154 HG2 LYS 21 HG2 LYS 21 37.058 -8.952 -2.718 155 HG3 LYS 21 HG3 LYS 21 36.961 -10.702 -2.927 156 HD2 LYS 21 HD2 LYS 21 37.118 -10.175 -5.117 157 HD3 LYS 21 HD3 LYS 21 35.383 -9.892 -4.958 158 HE2 LYS 21 HE2 LYS 21 35.678 -7.768 -5.531 159 HE3 LYS 21 HE3 LYS 21 36.730 -7.535 -4.135 160 HZ1 LYS 21 HZ1 LYS 21 37.434 -7.494 -6.824 161 HZ2 LYS 21 HZ2 LYS 21 38.150 -8.876 -6.162 162 HZ3 LYS 21 HZ3 LYS 21 38.458 -7.357 -5.484 163 H CYS 22 H CYS 22 33.426 -8.304 -0.380 164 HA CYS 22 HA CYS 22 30.939 -9.632 -0.662 165 HB2 CYS 22 HB2 CYS 22 32.492 -8.536 1.457 166 HB3 CYS 22 HB3 CYS 22 30.873 -7.855 1.573 167 H ASP 23 H ASP 23 31.788 -6.190 -0.383 168 HA ASP 23 HA ASP 23 29.192 -5.161 -0.521 169 HB2 ASP 23 HB2 ASP 23 31.379 -3.944 0.046 170 HB3 ASP 23 HB3 ASP 23 31.595 -3.771 -1.693 171 H LYS 24 H LYS 24 31.583 -5.536 -3.139 172 HA LYS 24 HA LYS 24 29.924 -4.694 -5.227 173 HB2 LYS 24 HB2 LYS 24 32.280 -4.852 -5.600 174 HB3 LYS 24 HB3 LYS 24 32.294 -6.562 -5.188 175 HG2 LYS 24 HG2 LYS 24 31.030 -7.081 -7.192 176 HG3 LYS 24 HG3 LYS 24 30.933 -5.365 -7.594 177 HD2 LYS 24 HD2 LYS 24 33.401 -5.295 -7.726 178 HD3 LYS 24 HD3 LYS 24 33.443 -7.032 -7.417 179 HE2 LYS 24 HE2 LYS 24 31.730 -6.074 -9.641 180 HE3 LYS 24 HE3 LYS 24 33.476 -6.012 -9.876 181 HZ1 LYS 24 HZ1 LYS 24 32.205 -8.125 -10.546 182 HZ2 LYS 24 HZ2 LYS 24 32.192 -8.475 -8.891 183 HZ3 LYS 24 HZ3 LYS 24 33.664 -8.294 -9.706 184 H LYS 25 H LYS 25 30.625 -7.987 -4.073 185 HA LYS 25 HA LYS 25 28.958 -9.335 -5.884 186 HB2 LYS 25 HB2 LYS 25 30.740 -10.322 -4.354 187 HB3 LYS 25 HB3 LYS 25 29.541 -10.250 -3.069 188 HG2 LYS 25 HG2 LYS 25 28.882 -12.267 -3.706 189 HG3 LYS 25 HG3 LYS 25 28.232 -11.515 -5.165 190 HD2 LYS 25 HD2 LYS 25 29.623 -13.265 -5.917 191 HD3 LYS 25 HD3 LYS 25 30.553 -11.784 -6.161 192 HE2 LYS 25 HE2 LYS 25 32.081 -13.277 -5.211 193 HE3 LYS 25 HE3 LYS 25 31.569 -12.264 -3.863 194 HZ1 LYS 25 HZ1 LYS 25 29.801 -14.191 -3.632 195 HZ2 LYS 25 HZ2 LYS 25 31.329 -14.291 -2.914 196 HZ3 LYS 25 HZ3 LYS 25 31.029 -15.086 -4.376 197 H CYS 26 H CYS 26 28.271 -7.629 -2.934 198 HA CYS 26 HA CYS 26 25.725 -8.763 -2.413 199 HB2 CYS 26 HB2 CYS 26 27.243 -6.382 -1.482 200 HB3 CYS 26 HB3 CYS 26 25.497 -6.356 -1.256 201 H ILE 27 H ILE 27 26.705 -5.738 -4.012 202 HA ILE 27 HA ILE 27 24.004 -5.136 -4.807 203 HB ILE 27 HB ILE 27 26.528 -3.838 -5.825 204 HG12 ILE 27 HG12 ILE 27 25.201 -2.297 -3.805 205 HG13 ILE 27 HG13 ILE 27 25.547 -3.900 -3.164 206 HG21 ILE 27 HG21 ILE 27 23.639 -3.296 -6.045 207 HG22 ILE 27 HG22 ILE 27 24.666 -1.898 -5.732 208 HG23 ILE 27 HG23 ILE 27 24.957 -2.905 -7.150 209 HD11 ILE 27 HD11 ILE 27 27.396 -1.741 -3.987 210 HD12 ILE 27 HD12 ILE 27 27.478 -2.850 -2.617 211 HD13 ILE 27 HD13 ILE 27 27.914 -3.409 -4.232 212 H GLU 28 H GLU 28 26.586 -6.981 -6.070 213 HA GLU 28 HA GLU 28 25.729 -6.787 -8.830 214 HB2 GLU 28 HB2 GLU 28 27.901 -8.270 -7.388 215 HB3 GLU 28 HB3 GLU 28 27.462 -8.728 -9.028 216 HG2 GLU 28 HG2 GLU 28 27.851 -5.867 -8.743 217 HG3 GLU 28 HG3 GLU 28 29.282 -6.796 -8.300 218 H TRP 29 H TRP 29 25.622 -9.156 -6.206 219 HA TRP 29 HA TRP 29 23.938 -10.895 -7.865 220 HB2 TRP 29 HB2 TRP 29 25.414 -11.401 -5.277 221 HB3 TRP 29 HB3 TRP 29 24.310 -12.561 -6.011 222 HD1 TRP 29 HD1 TRP 29 26.213 -10.817 -8.657 223 HE1 TRP 29 HE1 TRP 29 28.128 -12.304 -9.520 224 HE3 TRP 29 HE3 TRP 29 26.176 -14.390 -5.001 225 HZ2 TRP 29 HZ2 TRP 29 29.449 -14.678 -8.752 226 HZ3 TRP 29 HZ3 TRP 29 27.798 -16.236 -5.139 227 HH2 TRP 29 HH2 TRP 29 29.399 -16.375 -6.977 228 H GLU 30 H GLU 30 24.044 -9.490 -4.594 229 HA GLU 30 HA GLU 30 21.240 -10.104 -4.179 230 HB2 GLU 30 HB2 GLU 30 22.855 -8.409 -2.313 231 HB3 GLU 30 HB3 GLU 30 21.564 -9.545 -1.948 232 HG2 GLU 30 HG2 GLU 30 23.043 -11.410 -2.457 233 HG3 GLU 30 HG3 GLU 30 24.338 -10.282 -2.855 234 H LYS 31 H LYS 31 22.860 -7.743 -5.783 235 HA LYS 31 HA LYS 31 22.446 -5.568 -6.364 236 HB2 LYS 31 HB2 LYS 31 19.550 -6.364 -6.097 237 HB3 LYS 31 HB3 LYS 31 20.252 -5.197 -7.211 238 HG2 LYS 31 HG2 LYS 31 20.516 -8.190 -7.279 239 HG3 LYS 31 HG3 LYS 31 19.717 -7.144 -8.455 240 HD2 LYS 31 HD2 LYS 31 22.673 -7.200 -7.847 241 HD3 LYS 31 HD3 LYS 31 21.893 -7.884 -9.275 242 HE2 LYS 31 HE2 LYS 31 22.075 -4.983 -8.487 243 HE3 LYS 31 HE3 LYS 31 22.814 -5.765 -9.883 244 HZ1 LYS 31 HZ1 LYS 31 20.149 -4.748 -9.556 245 HZ2 LYS 31 HZ2 LYS 31 20.180 -6.317 -10.185 246 HZ3 LYS 31 HZ3 LYS 31 21.014 -5.074 -10.972 247 H ALA 32 H ALA 32 22.776 -5.963 -3.540 248 HA ALA 32 HA ALA 32 20.796 -4.383 -2.174 249 HB1 ALA 32 HB1 ALA 32 22.326 -4.584 -0.239 250 HB2 ALA 32 HB2 ALA 32 21.907 -6.139 -0.960 251 HB3 ALA 32 HB3 ALA 32 23.483 -5.414 -1.280 252 H GLN 33 H GLN 33 22.059 -2.685 -0.560 253 HA GLN 33 HA GLN 33 23.095 -0.669 -2.417 254 HB2 GLN 33 HB2 GLN 33 21.086 -0.264 -0.864 255 HB3 GLN 33 HB3 GLN 33 22.269 -0.176 0.434 256 HG2 GLN 33 HG2 GLN 33 23.422 1.577 -1.102 257 HG3 GLN 33 HG3 GLN 33 21.833 1.679 -1.857 258 HE21 GLN 33 HE22 GLN 33 20.160 1.404 0.263 259 HE22 GLN 33 HE21 GLN 33 20.358 2.729 1.353 260 H HIS 34 H HIS 34 23.862 -2.327 0.595 261 HA HIS 34 HA HIS 34 26.665 -1.602 0.234 262 HB2 HIS 34 HB2 HIS 34 25.316 -0.037 1.896 263 HB3 HIS 34 HB3 HIS 34 25.585 -1.376 3.008 264 HD1 HIS 34 HD1 HIS 34 27.533 1.079 0.888 265 HD2 HIS 34 HD2 HIS 34 28.076 -1.455 4.134 266 HE1 HIS 34 HE1 HIS 34 29.831 1.597 1.768 267 H GLY 35 H GLY 35 28.136 -3.013 1.286 268 HA2 GLY 35 HA2 GLY 35 26.892 -5.520 2.240 269 HA3 GLY 35 HA3 GLY 35 28.311 -5.495 1.203 270 H ALA 36 H ALA 36 28.374 -6.889 3.552 271 HA ALA 36 HA ALA 36 30.536 -5.555 4.921 272 HB1 ALA 36 HB1 ALA 36 29.604 -5.185 6.957 273 HB2 ALA 36 HB2 ALA 36 28.158 -4.973 5.970 274 HB3 ALA 36 HB3 ALA 36 28.447 -6.506 6.793 275 H CYS 37 H CYS 37 31.636 -6.978 6.456 276 HA CYS 37 HA CYS 37 31.025 -9.827 6.072 277 HB2 CYS 37 HB2 CYS 37 32.859 -9.100 4.534 278 HB3 CYS 37 HB3 CYS 37 33.809 -8.654 5.948 279 H HIS 38 H HIS 38 31.293 -11.100 7.838 280 HA HIS 38 HA HIS 38 32.716 -10.058 10.162 281 HB2 HIS 38 HB2 HIS 38 29.972 -9.774 9.995 282 HB3 HIS 38 HB3 HIS 38 30.162 -11.256 10.927 283 HD1 HIS 38 HD1 HIS 38 30.234 -10.839 13.352 284 HD2 HIS 38 HD2 HIS 38 31.800 -7.647 11.202 285 HE1 HIS 38 HE1 HIS 38 30.876 -9.121 15.072 286 H LYS 39 H LYS 39 33.116 -11.692 11.801 287 HA LYS 39 HA LYS 39 33.038 -14.423 10.694 288 HB2 LYS 39 HB2 LYS 39 35.135 -14.854 11.922 289 HB3 LYS 39 HB3 LYS 39 35.315 -13.580 10.722 290 HG2 LYS 39 HG2 LYS 39 36.291 -12.432 12.364 291 HG3 LYS 39 HG3 LYS 39 34.650 -12.160 12.956 292 HD2 LYS 39 HD2 LYS 39 35.709 -12.974 14.842 293 HD3 LYS 39 HD3 LYS 39 35.000 -14.441 14.164 294 HE2 LYS 39 HE2 LYS 39 37.091 -15.244 14.448 295 HE3 LYS 39 HE3 LYS 39 37.371 -14.449 12.900 296 HZ1 LYS 39 HZ1 LYS 39 37.778 -12.473 14.718 297 HZ2 LYS 39 HZ2 LYS 39 38.990 -13.373 13.955 298 HZ3 LYS 39 HZ3 LYS 39 38.436 -13.828 15.488 299 H ARG 40 H ARG 40 31.814 -15.781 11.809 300 HA ARG 40 HA ARG 40 31.943 -16.193 14.562 301 HB2 ARG 40 HB2 ARG 40 30.472 -13.898 13.985 302 HB3 ARG 40 HB3 ARG 40 29.254 -15.136 14.263 303 HG2 ARG 40 HG2 ARG 40 29.488 -14.691 16.425 304 HG3 ARG 40 HG3 ARG 40 31.043 -15.521 16.326 305 HD2 ARG 40 HD2 ARG 40 32.230 -13.521 16.119 306 HD3 ARG 40 HD3 ARG 40 30.794 -12.612 15.649 307 HE ARG 40 HE ARG 40 30.271 -13.474 18.190 308 HH11 ARG 40 HH12 ARG 40 32.797 -11.616 16.678 309 HH12 ARG 40 HH11 ARG 40 33.133 -10.676 18.094 310 HH21 ARG 40 HH22 ARG 40 30.704 -12.243 20.061 311 HH22 ARG 40 HH21 ARG 40 31.942 -11.035 20.018 312 H GLU 41 H GLU 41 29.684 -17.309 15.293 313 HA GLU 41 HA GLU 41 28.446 -19.208 15.083 314 HB2 GLU 41 HB2 GLU 41 28.119 -18.240 12.238 315 HB3 GLU 41 HB3 GLU 41 27.102 -19.424 13.046 316 HG2 GLU 41 HG2 GLU 41 27.049 -17.225 14.728 317 HG3 GLU 41 HG3 GLU 41 26.988 -16.539 13.106 318 H ALA 42 H ALA 42 29.903 -20.836 15.361 319 HA ALA 42 HA ALA 42 31.212 -22.628 14.855 320 HB1 ALA 42 HB1 ALA 42 29.900 -23.862 13.551 321 HB2 ALA 42 HB2 ALA 42 29.255 -22.436 12.736 322 HB3 ALA 42 HB3 ALA 42 30.755 -23.172 12.171 323 H GLY 43 H GLY 43 31.981 -19.732 14.046 324 HA2 GLY 43 HA2 GLY 43 33.965 -18.786 13.352 325 HA3 GLY 43 HA3 GLY 43 34.586 -20.409 13.090 326 H LYS 44 H LYS 44 31.695 -19.070 11.596 327 HA LYS 44 HA LYS 44 33.018 -19.350 8.983 328 HB2 LYS 44 HB2 LYS 44 30.923 -19.849 8.024 329 HB3 LYS 44 HB3 LYS 44 30.954 -20.746 9.537 330 HG2 LYS 44 HG2 LYS 44 29.668 -18.854 10.569 331 HG3 LYS 44 HG3 LYS 44 29.481 -18.193 8.943 332 HD2 LYS 44 HD2 LYS 44 27.518 -19.439 9.370 333 HD3 LYS 44 HD3 LYS 44 28.498 -20.435 8.292 334 HE2 LYS 44 HE2 LYS 44 29.380 -21.558 10.399 335 HE3 LYS 44 HE3 LYS 44 28.067 -20.748 11.251 336 HZ1 LYS 44 HZ1 LYS 44 27.798 -22.687 9.019 337 HZ2 LYS 44 HZ2 LYS 44 26.508 -21.835 9.705 338 HZ3 LYS 44 HZ3 LYS 44 27.380 -22.945 10.638 339 H GLU 45 H GLU 45 32.841 -17.730 7.438 340 HA GLU 45 HA GLU 45 32.462 -15.073 8.511 341 HB2 GLU 45 HB2 GLU 45 33.521 -16.197 5.946 342 HB3 GLU 45 HB3 GLU 45 33.059 -14.503 6.021 343 HG2 GLU 45 HG2 GLU 45 35.447 -14.832 6.421 344 HG3 GLU 45 HG3 GLU 45 34.633 -14.110 7.808 345 H SER 46 H SER 46 30.712 -13.840 8.289 346 HA SER 46 HA SER 46 28.626 -14.726 6.405 347 HB2 SER 46 HB2 SER 46 27.104 -13.382 8.023 348 HB3 SER 46 HB3 SER 46 27.674 -14.972 8.531 349 HG SER 46 HG SER 46 27.887 -13.174 10.087 350 H CYS 47 H CYS 47 27.560 -13.204 5.156 351 HA CYS 47 HA CYS 47 28.878 -10.574 5.017 352 HB2 CYS 47 HB2 CYS 47 28.964 -12.244 3.034 353 HB3 CYS 47 HB3 CYS 47 27.286 -11.781 2.772 354 H PHE 48 H PHE 48 27.709 -8.936 5.744 355 HA PHE 48 HA PHE 48 24.779 -9.164 5.721 356 HB2 PHE 48 HB2 PHE 48 26.709 -8.087 7.630 357 HB3 PHE 48 HB3 PHE 48 25.398 -6.964 7.282 358 HD1 PHE 48 HD1 PHE 48 23.039 -8.453 7.046 359 HD2 PHE 48 HD2 PHE 48 26.368 -9.221 9.584 360 HE1 PHE 48 HE1 PHE 48 21.573 -9.685 8.590 361 HE2 PHE 48 HE2 PHE 48 24.908 -10.455 11.132 362 HZ PHE 48 HZ PHE 48 22.507 -10.689 10.636 363 H CYS 49 H CYS 49 23.692 -8.005 4.286 364 HA CYS 49 HA CYS 49 24.875 -5.492 3.308 365 HB2 CYS 49 HB2 CYS 49 23.147 -7.124 1.499 366 HB3 CYS 49 HB3 CYS 49 24.438 -5.997 1.098 367 H TYR 50 H TYR 50 23.434 -3.824 2.810 368 HA TYR 50 HA TYR 50 20.634 -4.259 3.597 369 HB2 TYR 50 HB2 TYR 50 20.625 -2.566 5.122 370 HB3 TYR 50 HB3 TYR 50 22.326 -2.998 5.253 371 HD1 TYR 50 HD2 TYR 50 19.940 -0.528 3.962 372 HD2 TYR 50 HD1 TYR 50 24.051 -1.541 4.386 373 HE1 TYR 50 HE2 TYR 50 20.564 1.770 3.348 374 HE2 TYR 50 HE1 TYR 50 24.686 0.755 3.775 375 HH TYR 50 HH TYR 50 23.534 3.076 3.890 376 H PHE 51 H PHE 51 19.106 -3.141 2.446 377 HA PHE 51 HA PHE 51 19.952 -1.149 0.498 378 HB2 PHE 51 HB2 PHE 51 18.593 -2.387 -1.285 379 HB3 PHE 51 HB3 PHE 51 20.176 -3.047 -0.886 380 HD1 PHE 51 HD1 PHE 51 20.360 -5.094 0.463 381 HD2 PHE 51 HD2 PHE 51 16.595 -3.598 -0.841 382 HE1 PHE 51 HE1 PHE 51 19.330 -7.276 0.945 383 HE2 PHE 51 HE2 PHE 51 15.558 -5.777 -0.361 384 HZ PHE 51 HZ PHE 51 16.926 -7.620 0.535 385 H ASP 52 H ASP 52 18.219 0.111 -0.346 386 HA ASP 52 HA ASP 52 16.143 0.586 1.528 387 HB2 ASP 52 HB2 ASP 52 15.294 2.155 -0.307 388 HB3 ASP 52 HB3 ASP 52 16.903 2.475 0.335 389 H CYS 53 H CYS 53 14.191 -0.296 1.688 390 HA CYS 53 HA CYS 53 13.187 -1.873 -0.589 391 HB2 CYS 53 HB2 CYS 53 13.339 -2.413 2.291 392 HB3 CYS 53 HB3 CYS 53 11.759 -2.748 1.591 393 H SER 54 H SER 54 10.942 -1.828 -1.039 394 HA SER 54 HA SER 54 9.046 -0.651 -1.537 395 HB2 SER 54 HB2 SER 54 9.212 -0.589 1.462 396 HB3 SER 54 HB3 SER 54 7.878 0.209 0.629 397 HG SER 54 HG SER 54 7.012 -1.677 0.377 398 H LYS 55 H LYS 55 11.470 0.856 -1.785 399 HA LYS 55 HA LYS 55 12.157 2.986 -2.189 400 HB2 LYS 55 HB2 LYS 55 9.259 3.743 -1.788 401 HB3 LYS 55 HB3 LYS 55 10.482 4.674 -2.643 402 HG2 LYS 55 HG2 LYS 55 10.030 3.619 -4.533 403 HG3 LYS 55 HG3 LYS 55 10.310 2.050 -3.774 404 HD2 LYS 55 HD2 LYS 55 7.761 3.326 -3.063 405 HD3 LYS 55 HD3 LYS 55 7.919 2.889 -4.766 406 HE2 LYS 55 HE2 LYS 55 8.896 0.758 -3.112 407 HE3 LYS 55 HE3 LYS 55 7.271 1.213 -2.603 408 HZ1 LYS 55 HZ1 LYS 55 7.529 1.047 -5.449 409 HZ2 LYS 55 HZ2 LYS 55 6.393 0.323 -4.426 410 HZ3 LYS 55 HZ3 LYS 55 7.890 -0.420 -4.688 411 H SER 56 H SER 56 12.948 2.387 0.161 412 HA SER 56 HA SER 56 11.825 3.830 2.334 413 HB2 SER 56 HB2 SER 56 13.119 2.189 3.226 414 HB3 SER 56 HB3 SER 56 14.233 2.186 1.859 415 HG SER 56 HG SER 56 15.396 3.755 2.776 416 HA PRO 57 HA PRO 57 13.469 7.867 1.824 417 HB2 PRO 57 HB2 PRO 57 13.929 8.588 4.401 418 HB3 PRO 57 HB3 PRO 57 12.305 8.454 3.716 419 HG2 PRO 57 HG2 PRO 57 13.814 6.500 5.410 420 HG3 PRO 57 HG3 PRO 57 12.112 6.986 5.510 421 HD2 PRO 57 HD2 PRO 57 12.902 4.677 4.335 422 HD3 PRO 57 HD3 PRO 57 11.483 5.591 3.786 423 HA PRO 58 HA PRO 58 17.865 7.944 1.876 424 HB2 PRO 58 HB2 PRO 58 18.415 10.535 2.472 425 HB3 PRO 58 HB3 PRO 58 17.755 10.027 0.913 426 HG2 PRO 58 HG2 PRO 58 16.341 11.191 3.280 427 HG3 PRO 58 HG3 PRO 58 16.133 11.563 1.559 428 HD2 PRO 58 HD2 PRO 58 14.440 9.941 2.913 429 HD3 PRO 58 HD3 PRO 58 14.805 9.716 1.191 430 H GLY 59 H GLY 59 17.770 6.548 3.880 431 HA2 GLY 59 HA2 GLY 59 19.643 6.854 5.673 432 HA3 GLY 59 HA3 GLY 59 18.480 7.996 6.331 433 H ALA 60 H ALA 60 18.119 6.894 8.232 434 HA ALA 60 HA ALA 60 17.078 5.428 9.628 435 HB1 ALA 60 HB1 ALA 60 15.000 5.032 8.961 436 HB2 ALA 60 HB2 ALA 60 15.457 5.556 7.339 437 HB3 ALA 60 HB3 ALA 60 15.563 3.851 7.777 438 H THR 61 H THR 61 16.376 2.812 9.480 439 HA THR 61 HA THR 61 18.657 1.366 8.349 440 HB THR 61 HB THR 61 18.440 0.078 10.732 441 HG1 THR 61 HG1 THR 61 17.988 1.456 12.324 442 HG21 THR 61 HG21 THR 61 20.528 1.223 11.359 443 HG22 THR 61 HG22 THR 61 20.234 2.425 10.103 444 HG23 THR 61 HG23 THR 61 20.525 0.742 9.663 445 HA PRO 62 HA PRO 62 15.750 -1.787 7.418 446 HB2 PRO 62 HB2 PRO 62 17.226 -4.041 7.748 447 HB3 PRO 62 HB3 PRO 62 17.464 -2.927 6.397 448 HG2 PRO 62 HG2 PRO 62 19.004 -3.162 8.953 449 HG3 PRO 62 HG3 PRO 62 19.606 -2.932 7.301 450 HD2 PRO 62 HD2 PRO 62 19.392 -0.894 9.071 451 HD3 PRO 62 HD3 PRO 62 19.172 -0.669 7.324 452 H ALA 63 H ALA 63 14.401 -3.401 8.296 453 HA ALA 63 HA ALA 63 13.219 -4.471 9.921 454 HB1 ALA 63 HB1 ALA 63 15.807 -5.219 10.326 455 HB2 ALA 63 HB2 ALA 63 15.368 -4.572 11.908 456 HB3 ALA 63 HB3 ALA 63 14.417 -5.875 11.193 457 HA PRO 64 HA PRO 64 11.753 -1.478 12.774 458 HB2 PRO 64 HB2 PRO 64 10.772 -3.015 14.785 459 HB3 PRO 64 HB3 PRO 64 9.991 -2.889 13.204 460 HG2 PRO 64 HG2 PRO 64 11.795 -5.032 14.259 461 HG3 PRO 64 HG3 PRO 64 10.299 -5.191 13.321 462 HD2 PRO 64 HD2 PRO 64 12.753 -5.410 12.198 463 HD3 PRO 64 HD3 PRO 64 11.358 -4.750 11.321 464 HA PRO 65 HA PRO 65 14.618 -0.554 15.978 465 HB2 PRO 65 HB2 PRO 65 13.047 0.565 17.888 466 HB3 PRO 65 HB3 PRO 65 13.433 1.376 16.366 467 HG2 PRO 65 HG2 PRO 65 10.967 -0.138 17.134 468 HG3 PRO 65 HG3 PRO 65 11.110 1.398 16.260 469 HD2 PRO 65 HD2 PRO 65 10.658 -0.957 15.002 470 HD3 PRO 65 HD3 PRO 65 11.589 0.360 14.259 471 H GLY 66 H GLY 66 15.510 -1.330 17.877 472 HA2 GLY 66 HA2 GLY 66 14.258 -2.611 19.975 473 HA3 GLY 66 HA3 GLY 66 14.567 -3.866 18.783 474 H ALA 67 H ALA 67 17.031 -2.494 17.861 475 HA ALA 67 HA ALA 67 18.754 -2.963 20.202 476 HB1 ALA 67 HB1 ALA 67 20.129 -4.423 19.102 477 HB2 ALA 67 HB2 ALA 67 18.584 -4.835 18.358 478 HB3 ALA 67 HB3 ALA 67 19.719 -3.784 17.510 479 H ALA 68 H ALA 68 19.754 -1.119 20.650 480 HA ALA 68 HA ALA 68 20.630 0.588 18.411 481 HB1 ALA 68 HB1 ALA 68 20.043 1.487 21.227 482 HB2 ALA 68 HB2 ALA 68 20.385 2.503 19.826 483 HB3 ALA 68 HB3 ALA 68 18.888 1.572 19.896 484 HA PRO 69 HA PRO 69 24.436 -1.014 20.536 485 HB2 PRO 69 HB2 PRO 69 25.780 -1.540 18.236 486 HB3 PRO 69 HB3 PRO 69 24.677 -2.697 18.990 487 HG2 PRO 69 HG2 PRO 69 24.193 -0.836 16.695 488 HG3 PRO 69 HG3 PRO 69 23.714 -2.533 16.879 489 HD2 PRO 69 HD2 PRO 69 21.994 -0.481 17.287 490 HD3 PRO 69 HD3 PRO 69 21.891 -2.007 18.189 491 HA PRO 70 HA PRO 70 26.831 2.652 20.139 492 HB2 PRO 70 HB2 PRO 70 29.379 1.721 20.256 493 HB3 PRO 70 HB3 PRO 70 28.302 1.753 21.658 494 HG2 PRO 70 HG2 PRO 70 28.984 -0.529 19.844 495 HG3 PRO 70 HG3 PRO 70 28.841 -0.509 21.612 496 HD2 PRO 70 HD2 PRO 70 26.875 -1.444 20.002 497 HD3 PRO 70 HD3 PRO 70 26.541 -0.648 21.553 498 HA PRO 71 HA PRO 71 28.176 3.440 16.027 499 HB2 PRO 71 HB2 PRO 71 30.227 5.182 16.389 500 HB3 PRO 71 HB3 PRO 71 28.535 5.621 16.654 501 HG2 PRO 71 HG2 PRO 71 30.626 4.841 18.650 502 HG3 PRO 71 HG3 PRO 71 29.421 6.139 18.741 503 HD2 PRO 71 HD2 PRO 71 29.104 3.766 20.006 504 HD3 PRO 71 HD3 PRO 71 27.734 4.701 19.372 505 H ALA 72 H ALA 72 30.485 3.852 14.820 506 HA ALA 72 HA ALA 72 32.357 2.876 13.968 507 HB1 ALA 72 HB1 ALA 72 32.911 3.143 16.566 508 HB2 ALA 72 HB2 ALA 72 32.977 1.384 16.447 509 HB3 ALA 72 HB3 ALA 72 34.018 2.377 15.426 510 H ALA 73 H ALA 73 33.356 0.723 13.456 511 HA ALA 73 HA ALA 73 31.796 -1.634 13.993 512 HB1 ALA 73 HB1 ALA 73 30.859 -2.029 11.919 513 HB2 ALA 73 HB2 ALA 73 30.639 -0.288 12.095 514 HB3 ALA 73 HB3 ALA 73 31.951 -0.914 11.097 515 H GLY 74 H GLY 74 32.626 -3.374 12.163 516 HA2 GLY 74 HA2 GLY 74 35.447 -3.591 12.734 517 HA3 GLY 74 HA3 GLY 74 34.453 -4.780 11.904 518 H GLY 75 H GLY 75 36.874 -4.480 10.892 519 HA2 GLY 75 HA2 GLY 75 36.360 -3.025 8.387 520 HA3 GLY 75 HA3 GLY 75 37.874 -2.762 9.240 521 H SER 76 H SER 76 36.062 -4.888 7.207 522 HA SER 76 HA SER 76 36.659 -6.679 5.937 523 HB2 SER 76 HB2 SER 76 39.551 -6.516 6.459 524 HB3 SER 76 HB3 SER 76 38.679 -6.513 4.927 525 HG SER 76 HG SER 76 39.815 -4.508 5.572 526 HA PRO 77 HA PRO 77 37.158 -10.139 8.585 527 HB2 PRO 77 HB2 PRO 77 38.251 -11.992 6.928 528 HB3 PRO 77 HB3 PRO 77 36.567 -11.467 6.805 529 HG2 PRO 77 HG2 PRO 77 38.944 -10.602 5.202 530 HG3 PRO 77 HG3 PRO 77 37.302 -10.983 4.652 531 HD2 PRO 77 HD2 PRO 77 38.170 -8.441 4.994 532 HD3 PRO 77 HD3 PRO 77 36.481 -8.918 5.265 533 H SER 78 H SER 78 39.926 -8.766 7.055 534 HA SER 78 HA SER 78 41.599 -9.444 9.283 535 HB2 SER 78 HB2 SER 78 41.660 -11.492 7.752 536 HB3 SER 78 HB3 SER 78 42.521 -10.472 6.600 537 HG SER 78 HG SER 78 43.586 -11.812 8.534 538 HA PRO 79 HA PRO 79 42.514 -5.463 7.074 539 HB2 PRO 79 HB2 PRO 79 42.456 -3.936 9.318 540 HB3 PRO 79 HB3 PRO 79 41.009 -4.312 8.374 541 HG2 PRO 79 HG2 PRO 79 42.012 -5.584 10.892 542 HG3 PRO 79 HG3 PRO 79 40.357 -5.121 10.455 543 HD2 PRO 79 HD2 PRO 79 41.248 -7.672 10.286 544 HD3 PRO 79 HD3 PRO 79 40.032 -7.010 9.176 545 HA PRO 80 HA PRO 80 46.797 -5.307 8.060 546 HB2 PRO 80 HB2 PRO 80 47.356 -2.656 7.886 547 HB3 PRO 80 HB3 PRO 80 47.014 -3.661 6.472 548 HG2 PRO 80 HG2 PRO 80 45.198 -1.803 7.960 549 HG3 PRO 80 HG3 PRO 80 45.383 -2.024 6.210 550 HD2 PRO 80 HD2 PRO 80 43.350 -3.135 7.612 551 HD3 PRO 80 HD3 PRO 80 44.059 -3.911 6.181 552 H ALA 81 H ALA 81 48.452 -4.132 9.477 553 HA ALA 81 HA ALA 81 49.208 -3.586 11.553 554 HB1 ALA 81 HB1 ALA 81 46.581 -2.334 12.227 555 HB2 ALA 81 HB2 ALA 81 48.214 -1.809 12.638 556 HB3 ALA 81 HB3 ALA 81 47.611 -1.610 10.992 557 H ASP 82 H ASP 82 49.314 -5.713 12.300 558 HA ASP 82 HA ASP 82 47.431 -6.317 14.430 559 HB2 ASP 82 HB2 ASP 82 47.396 -7.684 11.880 560 HB3 ASP 82 HB3 ASP 82 47.782 -8.804 13.184 561 H GLY 83 H GLY 83 49.839 -8.277 12.688 562 HA2 GLY 83 HA2 GLY 83 51.702 -9.385 13.448 563 HA3 GLY 83 HA3 GLY 83 52.012 -7.916 14.362 564 H GLY 84 H GLY 84 52.989 -9.699 15.764 565 HA2 GLY 84 HA2 GLY 84 52.923 -10.952 17.688 566 HA3 GLY 84 HA3 GLY 84 51.561 -9.932 18.125 567 H SER 85 H SER 85 52.325 -12.735 16.064 568 HA SER 85 HA SER 85 50.466 -14.448 17.256 569 HB2 SER 85 HB2 SER 85 48.882 -14.495 15.167 570 HB3 SER 85 HB3 SER 85 48.615 -13.304 16.440 571 HG SER 85 HG SER 85 48.658 -12.547 14.160 572 HA PRO 86 HA PRO 86 53.581 -16.186 14.249 573 HB2 PRO 86 HB2 PRO 86 54.812 -17.786 16.064 574 HB3 PRO 86 HB3 PRO 86 55.280 -16.103 15.793 575 HG2 PRO 86 HG2 PRO 86 53.557 -17.267 17.947 576 HG3 PRO 86 HG3 PRO 86 54.827 -16.036 18.073 577 HD2 PRO 86 HD2 PRO 86 52.193 -15.411 18.027 578 HD3 PRO 86 HD3 PRO 86 53.439 -14.347 17.343 579 HA PRO 87 HA PRO 87 51.464 -19.977 13.558 580 HB2 PRO 87 HB2 PRO 87 53.453 -21.639 12.751 581 HB3 PRO 87 HB3 PRO 87 52.840 -20.317 11.750 582 HG2 PRO 87 HG2 PRO 87 55.290 -20.413 13.467 583 HG3 PRO 87 HG3 PRO 87 55.094 -19.750 11.835 584 HD2 PRO 87 HD2 PRO 87 55.120 -18.189 14.047 585 HD3 PRO 87 HD3 PRO 87 54.162 -17.789 12.607 586 HA PRO 88 HA PRO 88 51.647 -22.743 16.971 587 HB2 PRO 88 HB2 PRO 88 51.025 -25.133 15.843 588 HB3 PRO 88 HB3 PRO 88 49.841 -23.840 16.070 589 HG2 PRO 88 HG2 PRO 88 51.366 -24.602 13.609 590 HG3 PRO 88 HG3 PRO 88 49.656 -24.161 13.774 591 HD2 PRO 88 HD2 PRO 88 51.530 -22.420 12.887 592 HD3 PRO 88 HD3 PRO 88 50.113 -21.902 13.823 593 HA PRO 89 HA PRO 89 55.495 -24.840 17.333 594 HB2 PRO 89 HB2 PRO 89 54.881 -26.954 18.921 595 HB3 PRO 89 HB3 PRO 89 54.946 -25.292 19.518 596 HG2 PRO 89 HG2 PRO 89 52.568 -26.926 18.720 597 HG3 PRO 89 HG3 PRO 89 52.770 -25.852 20.117 598 HD2 PRO 89 HD2 PRO 89 51.442 -25.099 17.881 599 HD3 PRO 89 HD3 PRO 89 52.364 -23.953 18.875 600 H ALA 90 H ALA 90 52.846 -27.167 16.786 601 HA ALA 90 HA ALA 90 53.881 -28.184 14.390 602 HB1 ALA 90 HB1 ALA 90 54.752 -29.602 16.874 603 HB2 ALA 90 HB2 ALA 90 54.481 -30.506 15.383 604 HB3 ALA 90 HB3 ALA 90 55.677 -29.210 15.424 605 H ASP 91 H ASP 91 51.386 -27.434 15.095 606 HA ASP 91 HA ASP 91 49.218 -28.099 14.869 607 HB2 ASP 91 HB2 ASP 91 50.736 -30.259 13.734 608 HB3 ASP 91 HB3 ASP 91 49.345 -30.911 14.597 609 H GLY 92 H GLY 92 50.539 -31.079 16.290 610 HA2 GLY 92 HA2 GLY 92 50.038 -32.161 18.251 611 HA3 GLY 92 HA3 GLY 92 49.996 -30.556 18.964 612 H GLY 93 H GLY 93 48.346 -31.710 20.323 613 HA2 GLY 93 HA2 GLY 93 46.098 -31.456 20.933 614 HA3 GLY 93 HA3 GLY 93 45.710 -31.075 19.262 615 H SER 94 H SER 94 44.101 -32.759 20.714 616 HA SER 94 HA SER 94 43.090 -34.798 20.662 617 HB2 SER 94 HB2 SER 94 44.588 -35.456 18.144 618 HB3 SER 94 HB3 SER 94 42.922 -35.838 18.579 619 HG SER 94 HG SER 94 44.013 -33.405 17.678 620 HA PRO 95 HA PRO 95 42.886 -35.453 22.450 621 HB2 PRO 95 HB2 PRO 95 43.859 -35.460 24.985 622 HB3 PRO 95 HB3 PRO 95 43.218 -36.908 24.198 623 HG2 PRO 95 HG2 PRO 95 46.063 -36.045 24.547 624 HG3 PRO 95 HG3 PRO 95 45.350 -37.656 24.747 625 HD2 PRO 95 HD2 PRO 95 46.708 -36.930 22.520 626 HD3 PRO 95 HD3 PRO 95 45.353 -38.077 22.481 627 HA PRO 96 HA PRO 96 43.890 -31.190 22.860 628 HB2 PRO 96 HB2 PRO 96 42.097 -30.386 24.733 629 HB3 PRO 96 HB3 PRO 96 41.637 -30.795 23.076 630 HG2 PRO 96 HG2 PRO 96 41.450 -32.457 25.559 631 HG3 PRO 96 HG3 PRO 96 40.269 -32.263 24.250 632 HD2 PRO 96 HD2 PRO 96 41.904 -34.414 24.429 633 HD3 PRO 96 HD3 PRO 96 41.361 -33.754 22.873 634 H VAL 97 H VAL 97 46.011 -31.776 23.833 635 HA VAL 97 HA VAL 97 46.139 -30.809 26.606 636 HB VAL 97 HB VAL 97 47.798 -33.098 25.539 637 HG11 VAL 97 HG11 VAL 97 47.878 -31.453 27.985 638 HG12 VAL 97 HG12 VAL 97 48.061 -33.193 28.215 639 HG13 VAL 97 HG13 VAL 97 49.170 -32.321 27.156 640 HG21 VAL 97 HG21 VAL 97 46.480 -34.339 27.384 641 HG22 VAL 97 HG22 VAL 97 45.314 -33.027 27.212 642 HG23 VAL 97 HG23 VAL 97 45.699 -34.051 25.829 643 H ASP 98 H ASP 98 47.742 -29.382 27.023 644 HA ASP 98 HA ASP 98 50.105 -29.155 25.445 645 HB2 ASP 98 HB2 ASP 98 47.786 -27.711 24.555 646 HB3 ASP 98 HB3 ASP 98 49.014 -26.570 25.095 647 H GLY 99 H GLY 99 51.634 -27.773 26.364 648 HA2 GLY 99 HA2 GLY 99 50.883 -26.065 28.584 649 HA3 GLY 99 HA3 GLY 99 51.808 -27.490 29.033 650 H GLY 100 H GLY 100 53.755 -27.781 27.329 651 HA2 GLY 100 HA2 GLY 100 55.185 -25.202 27.424 652 HA3 GLY 100 HA3 GLY 100 55.954 -26.778 27.544 653 H SER 101 H SER 101 56.508 -27.878 25.709 654 HA SER 101 HA SER 101 57.189 -28.098 23.546 655 HB2 SER 101 HB2 SER 101 54.802 -28.619 23.255 656 HB3 SER 101 HB3 SER 101 54.456 -26.908 23.005 657 HG SER 101 HG SER 101 54.677 -28.061 21.030 658 HA PRO 102 HA PRO 102 58.398 -23.613 23.311 659 HB2 PRO 102 HB2 PRO 102 61.071 -24.086 23.388 660 HB3 PRO 102 HB3 PRO 102 60.086 -23.902 24.844 661 HG2 PRO 102 HG2 PRO 102 61.047 -26.404 23.511 662 HG3 PRO 102 HG3 PRO 102 61.003 -26.002 25.237 663 HD2 PRO 102 HD2 PRO 102 59.139 -27.574 24.059 664 HD3 PRO 102 HD3 PRO 102 58.761 -26.506 25.426 665 HA PRO 103 HA PRO 103 60.477 -22.282 22.762 666 HB2 PRO 103 HB2 PRO 103 60.228 -20.168 21.077 667 HB3 PRO 103 HB3 PRO 103 61.660 -21.203 21.115 668 HG2 PRO 103 HG2 PRO 103 59.336 -21.253 19.229 669 HG3 PRO 103 HG3 PRO 103 61.066 -21.414 18.877 670 HD2 PRO 103 HD2 PRO 103 59.404 -23.547 19.014 671 HD3 PRO 103 HD3 PRO 103 61.113 -23.636 19.486 672 HA PRO 104 HA PRO 104 56.583 -20.684 24.033 673 HB2 PRO 104 HB2 PRO 104 57.211 -18.191 24.906 674 HB3 PRO 104 HB3 PRO 104 57.669 -19.658 25.778 675 HG2 PRO 104 HG2 PRO 104 59.307 -17.962 23.934 676 HG3 PRO 104 HG3 PRO 104 59.763 -18.691 25.485 677 HD2 PRO 104 HD2 PRO 104 60.469 -19.771 23.105 678 HD3 PRO 104 HD3 PRO 104 60.147 -20.760 24.544 679 HA PRO 105 HA PRO 105 54.603 -18.227 20.970 680 HB2 PRO 105 HB2 PRO 105 52.790 -16.813 22.413 681 HB3 PRO 105 HB3 PRO 105 52.633 -18.547 22.109 682 HG2 PRO 105 HG2 PRO 105 53.658 -17.136 24.542 683 HG3 PRO 105 HG3 PRO 105 52.576 -18.537 24.434 684 HD2 PRO 105 HD2 PRO 105 55.217 -18.774 24.986 685 HD3 PRO 105 HD3 PRO 105 54.314 -20.010 24.086 686 H SER 106 H SER 106 53.663 -15.798 20.763 687 HA SER 106 HA SER 106 54.188 -13.608 20.444 688 HB2 SER 106 HB2 SER 106 54.427 -13.976 23.112 689 HB3 SER 106 HB3 SER 106 56.072 -13.470 22.727 690 HG SER 106 HG SER 106 54.490 -11.760 23.228 691 H THR 107 H THR 107 56.056 -12.082 20.048 692 HA THR 107 HA THR 107 58.661 -13.227 19.668 693 HB THR 107 HB THR 107 58.361 -12.429 17.088 694 HG1 THR 107 HG1 THR 107 56.220 -12.275 16.885 695 HG21 THR 107 HG21 THR 107 57.651 -15.246 17.809 696 HG22 THR 107 HG22 THR 107 59.249 -14.612 18.202 697 HG23 THR 107 HG23 THR 107 58.704 -14.651 16.526 698 H HIS 108 H HIS 108 56.454 -10.618 18.697 699 HA HIS 108 HA HIS 108 56.812 -8.380 18.359 700 HB2 HIS 108 HB2 HIS 108 57.455 -7.255 20.303 701 HB3 HIS 108 HB3 HIS 108 56.898 -8.810 20.911 702 HD1 HIS 108 HD1 HIS 108 58.553 -10.212 22.187 703 HD2 HIS 108 HD2 HIS 108 60.320 -6.963 20.294 704 HE1 HIS 108 HE1 HIS 108 60.913 -10.131 23.052 Start of MODEL 20 1 H1 ALA 1 H ALA 1 0.821 1.639 0.404 2 HA ALA 1 HA ALA 1 1.655 2.416 3.087 3 HB1 ALA 1 HB1 ALA 1 -0.565 1.265 3.282 4 HB2 ALA 1 HB2 ALA 1 0.210 -0.189 2.652 5 HB3 ALA 1 HB3 ALA 1 0.751 0.507 4.179 6 H GLY 2 H GLY 2 3.795 2.181 2.934 7 HA2 GLY 2 HA2 GLY 2 5.013 -0.338 2.687 8 HA3 GLY 2 HA3 GLY 2 5.129 0.485 1.139 9 H SER 3 H SER 3 7.210 1.062 0.987 10 HA SER 3 HA SER 3 9.159 2.165 1.384 11 HB2 SER 3 HB2 SER 3 7.692 3.708 3.528 12 HB3 SER 3 HB3 SER 3 9.098 4.222 2.595 13 HG SER 3 HG SER 3 7.358 5.186 1.655 14 H LYS 4 H LYS 4 10.584 0.774 2.222 15 HA LYS 4 HA LYS 4 11.072 0.797 5.051 16 HB2 LYS 4 HB2 LYS 4 9.278 -1.098 4.265 17 HB3 LYS 4 HB3 LYS 4 10.790 -1.984 4.112 18 HG2 LYS 4 HG2 LYS 4 10.859 -0.615 6.585 19 HG3 LYS 4 HG3 LYS 4 9.287 -1.408 6.453 20 HD2 LYS 4 HD2 LYS 4 11.537 -3.070 5.588 21 HD3 LYS 4 HD3 LYS 4 11.598 -2.608 7.291 22 HE2 LYS 4 HE2 LYS 4 10.405 -4.748 6.872 23 HE3 LYS 4 HE3 LYS 4 9.420 -3.530 7.681 24 HZ1 LYS 4 HZ1 LYS 4 8.460 -4.860 5.694 25 HZ2 LYS 4 HZ2 LYS 4 9.324 -3.753 4.751 26 HZ3 LYS 4 HZ3 LYS 4 8.136 -3.204 5.824 27 H LEU 5 H LEU 5 12.732 -1.348 5.321 28 HA LEU 5 HA LEU 5 14.707 -1.048 3.162 29 HB2 LEU 5 HB2 LEU 5 15.083 0.266 5.393 30 HB3 LEU 5 HB3 LEU 5 15.583 -1.310 6.005 31 HG LEU 5 HG LEU 5 16.839 -0.255 3.511 32 HD11 LEU 5 HD11 LEU 5 17.130 0.869 6.231 33 HD12 LEU 5 HD12 LEU 5 17.351 1.630 4.656 34 HD13 LEU 5 HD13 LEU 5 18.612 0.589 5.316 35 HD21 LEU 5 HD21 LEU 5 17.133 -2.537 5.026 36 HD22 LEU 5 HD22 LEU 5 18.479 -1.525 5.551 37 HD23 LEU 5 HD23 LEU 5 18.286 -1.920 3.842 38 H CYS 6 H CYS 6 16.023 -2.832 2.758 39 HA CYS 6 HA CYS 6 15.214 -5.318 4.119 40 HB2 CYS 6 HB2 CYS 6 15.877 -4.864 1.206 41 HB3 CYS 6 HB3 CYS 6 15.727 -6.460 1.933 42 H GLU 7 H GLU 7 16.812 -6.909 4.435 43 HA GLU 7 HA GLU 7 19.582 -6.119 3.900 44 HB2 GLU 7 HB2 GLU 7 19.532 -5.400 6.092 45 HB3 GLU 7 HB3 GLU 7 18.334 -6.595 6.569 46 HG2 GLU 7 HG2 GLU 7 21.002 -7.586 5.750 47 HG3 GLU 7 HG3 GLU 7 20.876 -6.754 7.298 48 H LYS 8 H LYS 8 20.921 -7.778 3.398 49 HA LYS 8 HA LYS 8 19.746 -10.478 3.438 50 HB2 LYS 8 HB2 LYS 8 21.854 -9.335 1.594 51 HB3 LYS 8 HB3 LYS 8 21.248 -10.986 1.546 52 HG2 LYS 8 HG2 LYS 8 19.324 -8.724 1.301 53 HG3 LYS 8 HG3 LYS 8 20.317 -9.176 -0.086 54 HD2 LYS 8 HD2 LYS 8 19.032 -10.946 -0.506 55 HD3 LYS 8 HD3 LYS 8 19.181 -11.514 1.158 56 HE2 LYS 8 HE2 LYS 8 17.351 -9.240 0.526 57 HE3 LYS 8 HE3 LYS 8 16.840 -10.891 0.180 58 HZ1 LYS 8 HZ1 LYS 8 17.890 -10.904 2.744 59 HZ2 LYS 8 HZ2 LYS 8 16.268 -11.069 2.297 60 HZ3 LYS 8 HZ3 LYS 8 16.893 -9.540 2.657 61 H THR 9 H THR 9 21.086 -12.257 3.954 62 HA THR 9 HA THR 9 23.530 -11.542 5.441 63 HB THR 9 HB THR 9 21.917 -13.955 6.179 64 HG1 THR 9 HG1 THR 9 20.507 -12.772 7.313 65 HG21 THR 9 HG21 THR 9 24.287 -12.851 7.082 66 HG22 THR 9 HG22 THR 9 23.306 -14.046 7.932 67 HG23 THR 9 HG23 THR 9 23.103 -12.329 8.280 68 H SER 10 H SER 10 24.240 -11.994 3.063 69 HA SER 10 HA SER 10 25.540 -13.276 1.703 70 HB2 SER 10 HB2 SER 10 26.977 -14.660 2.762 71 HB3 SER 10 HB3 SER 10 26.144 -14.165 4.236 72 HG SER 10 HG SER 10 26.167 -16.402 4.131 73 H LYS 11 H LYS 11 22.546 -13.569 1.947 74 HA LYS 11 HA LYS 11 21.636 -16.132 1.537 75 HB2 LYS 11 HB2 LYS 11 20.670 -13.474 1.060 76 HB3 LYS 11 HB3 LYS 11 20.251 -14.492 -0.311 77 HG2 LYS 11 HG2 LYS 11 18.436 -14.608 1.186 78 HG3 LYS 11 HG3 LYS 11 19.304 -16.137 1.343 79 HD2 LYS 11 HD2 LYS 11 19.458 -15.774 3.531 80 HD3 LYS 11 HD3 LYS 11 20.469 -14.367 3.194 81 HE2 LYS 11 HE2 LYS 11 18.616 -13.702 4.584 82 HE3 LYS 11 HE3 LYS 11 18.422 -12.996 2.980 83 HZ1 LYS 11 HZ1 LYS 11 16.478 -14.269 4.247 84 HZ2 LYS 11 HZ2 LYS 11 17.155 -15.578 3.418 85 HZ3 LYS 11 HZ3 LYS 11 16.599 -14.231 2.560 86 H THR 12 H THR 12 23.549 -14.160 -0.569 87 HA THR 12 HA THR 12 23.685 -16.376 -2.477 88 HB THR 12 HB THR 12 23.712 -14.642 -4.356 89 HG1 THR 12 HG1 THR 12 22.874 -13.097 -2.167 90 HG21 THR 12 HG21 THR 12 21.131 -15.111 -2.857 91 HG22 THR 12 HG22 THR 12 21.864 -16.212 -4.023 92 HG23 THR 12 HG23 THR 12 21.269 -14.637 -4.550 93 H TYR 13 H TYR 13 25.430 -15.109 -0.377 94 HA TYR 13 HA TYR 13 27.673 -14.226 -2.052 95 HB2 TYR 13 HB2 TYR 13 27.121 -12.697 -0.252 96 HB3 TYR 13 HB3 TYR 13 27.219 -13.998 0.929 97 HD1 TYR 13 HD1 TYR 13 29.337 -12.351 -1.674 98 HD2 TYR 13 HD2 TYR 13 29.169 -14.212 2.148 99 HE1 TYR 13 HE1 TYR 13 31.721 -11.852 -1.333 100 HE2 TYR 13 HE2 TYR 13 31.552 -13.718 2.500 101 HH TYR 13 HH TYR 13 33.438 -11.940 0.072 102 H SER 14 H SER 14 27.683 -15.845 1.098 103 HA SER 14 HA SER 14 28.932 -17.584 1.885 104 HB2 SER 14 HB2 SER 14 27.207 -18.539 -0.027 105 HB3 SER 14 HB3 SER 14 28.757 -19.171 -0.582 106 HG SER 14 HG SER 14 27.257 -20.147 1.318 107 H GLY 15 H GLY 15 30.622 -19.417 0.767 108 HA2 GLY 15 HA2 GLY 15 32.725 -19.718 -0.124 109 HA3 GLY 15 HA3 GLY 15 32.476 -18.257 -1.067 110 H LYS 16 H LYS 16 34.458 -17.336 -0.735 111 HA LYS 16 HA LYS 16 35.826 -17.212 1.708 112 HB2 LYS 16 HB2 LYS 16 37.220 -15.538 0.674 113 HB3 LYS 16 HB3 LYS 16 36.838 -16.771 -0.521 114 HG2 LYS 16 HG2 LYS 16 34.831 -14.871 -0.809 115 HG3 LYS 16 HG3 LYS 16 36.308 -13.936 -0.561 116 HD2 LYS 16 HD2 LYS 16 37.204 -15.785 -2.305 117 HD3 LYS 16 HD3 LYS 16 35.515 -15.679 -2.808 118 HE2 LYS 16 HE2 LYS 16 35.774 -13.613 -3.655 119 HE3 LYS 16 HE3 LYS 16 36.807 -13.091 -2.325 120 HZ1 LYS 16 HZ1 LYS 16 37.911 -13.175 -4.539 121 HZ2 LYS 16 HZ2 LYS 16 37.734 -14.857 -4.521 122 HZ3 LYS 16 HZ3 LYS 16 38.683 -14.094 -3.346 123 H CYS 17 H CYS 17 36.473 -14.627 2.243 124 HA CYS 17 HA CYS 17 33.993 -13.180 2.766 125 HB2 CYS 17 HB2 CYS 17 34.151 -14.468 4.764 126 HB3 CYS 17 HB3 CYS 17 35.882 -14.175 4.898 127 H ASP 18 H ASP 18 34.389 -11.261 1.887 128 HA ASP 18 HA ASP 18 36.811 -9.828 2.689 129 HB2 ASP 18 HB2 ASP 18 36.357 -10.875 0.064 130 HB3 ASP 18 HB3 ASP 18 36.304 -9.116 -0.013 131 H ASN 19 H ASN 19 36.658 -7.468 1.981 132 HA ASN 19 HA ASN 19 34.086 -6.475 2.842 133 HB2 ASN 19 HB2 ASN 19 36.268 -5.518 3.633 134 HB3 ASN 19 HB3 ASN 19 36.521 -4.889 2.007 135 HD21 ASN 19 HD22 ASN 19 36.047 -2.834 1.834 136 HD22 ASN 19 HD21 ASN 19 34.797 -1.995 2.683 137 H LYS 20 H LYS 20 36.197 -5.771 0.052 138 HA LYS 20 HA LYS 20 34.178 -4.419 -1.406 139 HB2 LYS 20 HB2 LYS 20 36.826 -4.479 -1.642 140 HB3 LYS 20 HB3 LYS 20 36.451 -5.723 -2.828 141 HG2 LYS 20 HG2 LYS 20 34.742 -3.478 -3.258 142 HG3 LYS 20 HG3 LYS 20 36.416 -2.929 -3.162 143 HD2 LYS 20 HD2 LYS 20 37.009 -3.985 -5.073 144 HD3 LYS 20 HD3 LYS 20 35.948 -5.362 -4.765 145 HE2 LYS 20 HE2 LYS 20 34.884 -4.408 -6.557 146 HE3 LYS 20 HE3 LYS 20 34.059 -3.596 -5.228 147 HZ1 LYS 20 HZ1 LYS 20 36.449 -2.413 -6.499 148 HZ2 LYS 20 HZ2 LYS 20 35.253 -1.647 -5.579 149 HZ3 LYS 20 HZ3 LYS 20 34.904 -2.176 -7.148 150 H LYS 21 H LYS 21 35.393 -7.737 -1.458 151 HA LYS 21 HA LYS 21 33.983 -8.642 -3.704 152 HB2 LYS 21 HB2 LYS 21 35.064 -10.025 -1.263 153 HB3 LYS 21 HB3 LYS 21 34.177 -10.916 -2.493 154 HG2 LYS 21 HG2 LYS 21 36.275 -11.231 -3.280 155 HG3 LYS 21 HG3 LYS 21 35.918 -9.702 -4.085 156 HD2 LYS 21 HD2 LYS 21 36.894 -8.739 -1.797 157 HD3 LYS 21 HD3 LYS 21 37.748 -10.284 -1.825 158 HE2 LYS 21 HE2 LYS 21 37.922 -9.229 -4.426 159 HE3 LYS 21 HE3 LYS 21 38.262 -7.894 -3.326 160 HZ1 LYS 21 HZ1 LYS 21 40.134 -9.538 -4.112 161 HZ2 LYS 21 HZ2 LYS 21 39.571 -10.458 -2.809 162 HZ3 LYS 21 HZ3 LYS 21 40.138 -8.885 -2.551 163 H CYS 22 H CYS 22 33.087 -8.584 -0.275 164 HA CYS 22 HA CYS 22 30.580 -9.868 -0.628 165 HB2 CYS 22 HB2 CYS 22 31.478 -9.930 1.556 166 HB3 CYS 22 HB3 CYS 22 31.758 -8.192 1.579 167 H ASP 23 H ASP 23 31.426 -6.450 -0.078 168 HA ASP 23 HA ASP 23 28.885 -5.366 -0.280 169 HB2 ASP 23 HB2 ASP 23 31.085 -4.210 0.349 170 HB3 ASP 23 HB3 ASP 23 31.332 -3.993 -1.382 171 H LYS 24 H LYS 24 31.294 -5.706 -2.886 172 HA LYS 24 HA LYS 24 29.736 -4.741 -4.974 173 HB2 LYS 24 HB2 LYS 24 32.028 -5.057 -5.414 174 HB3 LYS 24 HB3 LYS 24 31.990 -6.731 -4.878 175 HG2 LYS 24 HG2 LYS 24 30.696 -7.352 -6.837 176 HG3 LYS 24 HG3 LYS 24 30.668 -5.669 -7.367 177 HD2 LYS 24 HD2 LYS 24 32.850 -5.700 -8.035 178 HD3 LYS 24 HD3 LYS 24 33.317 -6.894 -6.822 179 HE2 LYS 24 HE2 LYS 24 31.513 -7.652 -9.088 180 HE3 LYS 24 HE3 LYS 24 33.258 -7.573 -9.325 181 HZ1 LYS 24 HZ1 LYS 24 31.817 -9.269 -7.361 182 HZ2 LYS 24 HZ2 LYS 24 33.500 -9.132 -7.453 183 HZ3 LYS 24 HZ3 LYS 24 32.634 -9.797 -8.745 184 H LYS 25 H LYS 25 30.095 -8.084 -3.821 185 HA LYS 25 HA LYS 25 28.419 -9.307 -5.693 186 HB2 LYS 25 HB2 LYS 25 29.988 -10.370 -3.944 187 HB3 LYS 25 HB3 LYS 25 28.631 -10.226 -2.835 188 HG2 LYS 25 HG2 LYS 25 28.439 -11.647 -5.476 189 HG3 LYS 25 HG3 LYS 25 28.899 -12.452 -3.974 190 HD2 LYS 25 HD2 LYS 25 26.292 -11.095 -4.626 191 HD3 LYS 25 HD3 LYS 25 26.565 -12.798 -4.254 192 HE2 LYS 25 HE2 LYS 25 27.423 -11.957 -1.986 193 HE3 LYS 25 HE3 LYS 25 26.648 -10.431 -2.410 194 HZ1 LYS 25 HZ1 LYS 25 24.892 -12.617 -2.849 195 HZ2 LYS 25 HZ2 LYS 25 24.678 -11.256 -1.869 196 HZ3 LYS 25 HZ3 LYS 25 25.456 -12.626 -1.255 197 H CYS 26 H CYS 26 27.686 -7.853 -2.550 198 HA CYS 26 HA CYS 26 25.023 -8.595 -2.310 199 HB2 CYS 26 HB2 CYS 26 26.463 -6.098 -1.413 200 HB3 CYS 26 HB3 CYS 26 24.793 -6.445 -0.977 201 H ILE 27 H ILE 27 26.386 -5.711 -3.881 202 HA ILE 27 HA ILE 27 23.807 -4.842 -4.822 203 HB ILE 27 HB ILE 27 26.494 -3.833 -5.742 204 HG12 ILE 27 HG12 ILE 27 25.277 -2.136 -3.782 205 HG13 ILE 27 HG13 ILE 27 25.416 -3.759 -3.116 206 HG21 ILE 27 HG21 ILE 27 24.986 -2.847 -7.146 207 HG22 ILE 27 HG22 ILE 27 23.680 -2.906 -5.964 208 HG23 ILE 27 HG23 ILE 27 24.950 -1.693 -5.813 209 HD11 ILE 27 HD11 ILE 27 27.525 -1.830 -3.880 210 HD12 ILE 27 HD12 ILE 27 27.435 -2.935 -2.508 211 HD13 ILE 27 HD13 ILE 27 27.862 -3.546 -4.106 212 H GLU 28 H GLU 28 26.198 -7.009 -5.906 213 HA GLU 28 HA GLU 28 25.611 -6.753 -8.719 214 HB2 GLU 28 HB2 GLU 28 27.340 -8.558 -7.067 215 HB3 GLU 28 HB3 GLU 28 26.961 -8.995 -8.727 216 HG2 GLU 28 HG2 GLU 28 27.832 -6.243 -8.504 217 HG3 GLU 28 HG3 GLU 28 29.028 -7.375 -7.874 218 H TRP 29 H TRP 29 24.926 -9.109 -6.154 219 HA TRP 29 HA TRP 29 22.998 -10.424 -7.938 220 HB2 TRP 29 HB2 TRP 29 24.610 -11.332 -5.599 221 HB3 TRP 29 HB3 TRP 29 23.045 -12.095 -5.868 222 HD1 TRP 29 HD1 TRP 29 25.853 -11.133 -8.383 223 HE1 TRP 29 HE1 TRP 29 26.394 -13.219 -9.790 224 HE3 TRP 29 HE3 TRP 29 22.672 -14.459 -6.157 225 HZ2 TRP 29 HZ2 TRP 29 25.579 -15.918 -9.937 226 HZ3 TRP 29 HZ3 TRP 29 22.613 -16.773 -6.991 227 HH2 TRP 29 HH2 TRP 29 24.037 -17.485 -8.843 228 H GLU 30 H GLU 30 23.309 -9.318 -4.564 229 HA GLU 30 HA GLU 30 20.452 -9.453 -4.165 230 HB2 GLU 30 HB2 GLU 30 22.785 -8.651 -2.451 231 HB3 GLU 30 HB3 GLU 30 21.139 -8.303 -1.942 232 HG2 GLU 30 HG2 GLU 30 20.609 -10.522 -1.656 233 HG3 GLU 30 HG3 GLU 30 21.864 -11.073 -2.764 234 H LYS 31 H LYS 31 22.369 -7.337 -5.753 235 HA LYS 31 HA LYS 31 22.300 -5.100 -6.254 236 HB2 LYS 31 HB2 LYS 31 19.320 -5.503 -5.999 237 HB3 LYS 31 HB3 LYS 31 20.162 -4.369 -7.046 238 HG2 LYS 31 HG2 LYS 31 20.075 -7.364 -7.294 239 HG3 LYS 31 HG3 LYS 31 19.371 -6.170 -8.386 240 HD2 LYS 31 HD2 LYS 31 22.311 -6.609 -7.864 241 HD3 LYS 31 HD3 LYS 31 21.427 -7.064 -9.322 242 HE2 LYS 31 HE2 LYS 31 20.809 -4.536 -9.404 243 HE3 LYS 31 HE3 LYS 31 22.202 -4.347 -8.340 244 HZ1 LYS 31 HZ1 LYS 31 23.225 -5.898 -10.251 245 HZ2 LYS 31 HZ2 LYS 31 23.302 -4.209 -10.277 246 HZ3 LYS 31 HZ3 LYS 31 22.104 -5.014 -11.159 247 H ALA 32 H ALA 32 22.623 -5.577 -3.467 248 HA ALA 32 HA ALA 32 20.879 -3.835 -1.997 249 HB1 ALA 32 HB1 ALA 32 22.117 -5.838 -1.065 250 HB2 ALA 32 HB2 ALA 32 23.565 -4.832 -1.085 251 HB3 ALA 32 HB3 ALA 32 22.180 -4.363 -0.101 252 H GLN 33 H GLN 33 22.560 -2.393 -0.378 253 HA GLN 33 HA GLN 33 23.705 -0.448 -2.268 254 HB2 GLN 33 HB2 GLN 33 22.484 -0.035 0.464 255 HB3 GLN 33 HB3 GLN 33 23.307 1.226 -0.444 256 HG2 GLN 33 HG2 GLN 33 20.979 -0.269 -1.592 257 HG3 GLN 33 HG3 GLN 33 20.760 1.136 -0.549 258 HE21 GLN 33 HE22 GLN 33 19.846 1.081 -3.152 259 HE22 GLN 33 HE21 GLN 33 20.754 2.208 -4.097 260 H HIS 34 H HIS 34 24.131 -1.832 0.977 261 HA HIS 34 HA HIS 34 27.028 -1.474 0.661 262 HB2 HIS 34 HB2 HIS 34 25.569 -0.931 3.250 263 HB3 HIS 34 HB3 HIS 34 27.281 -0.683 2.919 264 HD1 HIS 34 HD1 HIS 34 27.937 1.588 2.140 265 HD2 HIS 34 HD2 HIS 34 23.859 0.907 1.733 266 HE1 HIS 34 HE1 HIS 34 26.957 3.789 1.420 267 H GLY 35 H GLY 35 28.324 -2.961 1.856 268 HA2 GLY 35 HA2 GLY 35 26.844 -5.284 2.915 269 HA3 GLY 35 HA3 GLY 35 28.159 -5.497 1.769 270 H ALA 36 H ALA 36 28.366 -6.831 4.073 271 HA ALA 36 HA ALA 36 30.719 -5.647 5.255 272 HB1 ALA 36 HB1 ALA 36 28.649 -4.773 6.518 273 HB2 ALA 36 HB2 ALA 36 28.557 -6.404 7.184 274 HB3 ALA 36 HB3 ALA 36 29.997 -5.422 7.452 275 H CYS 37 H CYS 37 31.785 -7.150 6.789 276 HA CYS 37 HA CYS 37 30.999 -9.952 6.372 277 HB2 CYS 37 HB2 CYS 37 33.062 -8.870 4.998 278 HB3 CYS 37 HB3 CYS 37 33.904 -9.387 6.456 279 H HIS 38 H HIS 38 31.300 -11.303 8.089 280 HA HIS 38 HA HIS 38 32.814 -10.387 10.400 281 HB2 HIS 38 HB2 HIS 38 30.053 -9.989 10.293 282 HB3 HIS 38 HB3 HIS 38 30.253 -11.435 11.279 283 HD1 HIS 38 HD1 HIS 38 32.307 -8.229 11.180 284 HD2 HIS 38 HD2 HIS 38 30.113 -10.558 13.831 285 HE1 HIS 38 HE1 HIS 38 32.593 -7.139 13.428 286 H LYS 39 H LYS 39 33.854 -12.020 11.357 287 HA LYS 39 HA LYS 39 33.200 -14.747 10.498 288 HB2 LYS 39 HB2 LYS 39 35.500 -13.965 10.096 289 HB3 LYS 39 HB3 LYS 39 35.699 -13.671 11.819 290 HG2 LYS 39 HG2 LYS 39 34.827 -16.375 11.322 291 HG3 LYS 39 HG3 LYS 39 36.303 -16.000 10.430 292 HD2 LYS 39 HD2 LYS 39 37.135 -15.015 12.666 293 HD3 LYS 39 HD3 LYS 39 35.815 -15.938 13.389 294 HE2 LYS 39 HE2 LYS 39 36.787 -17.929 12.066 295 HE3 LYS 39 HE3 LYS 39 38.233 -16.931 11.921 296 HZ1 LYS 39 HZ1 LYS 39 37.750 -16.733 14.529 297 HZ2 LYS 39 HZ2 LYS 39 38.750 -17.919 13.856 298 HZ3 LYS 39 HZ3 LYS 39 37.145 -18.287 14.243 299 H ARG 40 H ARG 40 32.409 -16.216 11.869 300 HA ARG 40 HA ARG 40 32.977 -16.420 14.594 301 HB2 ARG 40 HB2 ARG 40 31.051 -14.395 13.997 302 HB3 ARG 40 HB3 ARG 40 30.235 -15.712 14.827 303 HG2 ARG 40 HG2 ARG 40 32.802 -14.787 15.970 304 HG3 ARG 40 HG3 ARG 40 31.413 -13.708 16.114 305 HD2 ARG 40 HD2 ARG 40 30.138 -15.699 17.024 306 HD3 ARG 40 HD3 ARG 40 31.691 -16.526 17.129 307 HE ARG 40 HE ARG 40 31.790 -14.002 18.421 308 HH11 ARG 40 HH12 ARG 40 30.614 -17.257 18.797 309 HH12 ARG 40 HH11 ARG 40 30.658 -17.212 20.528 310 HH21 ARG 40 HH22 ARG 40 31.852 -13.930 20.700 311 HH22 ARG 40 HH21 ARG 40 31.361 -15.319 21.610 312 H GLU 41 H GLU 41 31.200 -17.810 15.739 313 HA GLU 41 HA GLU 41 30.166 -19.836 15.818 314 HB2 GLU 41 HB2 GLU 41 29.013 -18.630 13.322 315 HB3 GLU 41 HB3 GLU 41 28.566 -20.257 13.816 316 HG2 GLU 41 HG2 GLU 41 27.150 -19.491 15.336 317 HG3 GLU 41 HG3 GLU 41 28.368 -18.419 16.025 318 H ALA 42 H ALA 42 31.900 -21.217 15.714 319 HA ALA 42 HA ALA 42 33.290 -22.818 14.883 320 HB1 ALA 42 HB1 ALA 42 32.018 -23.475 12.425 321 HB2 ALA 42 HB2 ALA 42 32.013 -24.369 13.946 322 HB3 ALA 42 HB3 ALA 42 30.773 -23.155 13.632 323 H GLY 43 H GLY 43 33.553 -19.965 13.974 324 HA2 GLY 43 HA2 GLY 43 35.101 -18.838 12.694 325 HA3 GLY 43 HA3 GLY 43 35.692 -20.395 12.134 326 H LYS 44 H LYS 44 32.352 -19.431 11.796 327 HA LYS 44 HA LYS 44 32.645 -19.588 8.896 328 HB2 LYS 44 HB2 LYS 44 30.174 -19.464 10.634 329 HB3 LYS 44 HB3 LYS 44 30.166 -19.638 8.884 330 HG2 LYS 44 HG2 LYS 44 31.229 -21.784 9.035 331 HG3 LYS 44 HG3 LYS 44 31.448 -21.598 10.777 332 HD2 LYS 44 HD2 LYS 44 28.716 -21.197 10.310 333 HD3 LYS 44 HD3 LYS 44 29.170 -22.580 9.313 334 HE2 LYS 44 HE2 LYS 44 30.289 -23.535 11.363 335 HE3 LYS 44 HE3 LYS 44 29.514 -22.249 12.286 336 HZ1 LYS 44 HZ1 LYS 44 28.407 -24.616 11.925 337 HZ2 LYS 44 HZ2 LYS 44 27.794 -23.839 10.554 338 HZ3 LYS 44 HZ3 LYS 44 27.491 -23.203 12.092 339 H GLU 45 H GLU 45 32.788 -17.828 7.681 340 HA GLU 45 HA GLU 45 32.257 -15.223 8.857 341 HB2 GLU 45 HB2 GLU 45 33.688 -16.206 6.427 342 HB3 GLU 45 HB3 GLU 45 33.102 -14.549 6.444 343 HG2 GLU 45 HG2 GLU 45 34.599 -13.882 8.006 344 HG3 GLU 45 HG3 GLU 45 34.635 -15.453 8.805 345 H SER 46 H SER 46 30.501 -14.037 8.479 346 HA SER 46 HA SER 46 28.691 -14.896 6.318 347 HB2 SER 46 HB2 SER 46 27.885 -15.179 8.713 348 HB3 SER 46 HB3 SER 46 27.864 -13.419 8.820 349 HG SER 46 HG SER 46 26.327 -15.098 7.141 350 H CYS 47 H CYS 47 27.558 -13.285 5.154 351 HA CYS 47 HA CYS 47 28.881 -10.654 5.210 352 HB2 CYS 47 HB2 CYS 47 29.307 -11.810 3.131 353 HB3 CYS 47 HB3 CYS 47 27.592 -12.147 2.919 354 H PHE 48 H PHE 48 27.696 -8.958 5.772 355 HA PHE 48 HA PHE 48 24.767 -9.238 5.766 356 HB2 PHE 48 HB2 PHE 48 26.672 -8.109 7.677 357 HB3 PHE 48 HB3 PHE 48 25.331 -7.026 7.320 358 HD1 PHE 48 HD1 PHE 48 23.030 -8.637 7.056 359 HD2 PHE 48 HD2 PHE 48 26.345 -9.186 9.668 360 HE1 PHE 48 HE1 PHE 48 21.596 -9.901 8.605 361 HE2 PHE 48 HE2 PHE 48 24.917 -10.452 11.221 362 HZ PHE 48 HZ PHE 48 22.539 -10.812 10.690 363 H CYS 49 H CYS 49 23.614 -8.014 4.429 364 HA CYS 49 HA CYS 49 24.828 -5.550 3.368 365 HB2 CYS 49 HB2 CYS 49 22.998 -7.183 1.654 366 HB3 CYS 49 HB3 CYS 49 24.265 -6.057 1.179 367 H TYR 50 H TYR 50 23.408 -3.853 2.898 368 HA TYR 50 HA TYR 50 20.598 -4.208 3.639 369 HB2 TYR 50 HB2 TYR 50 20.599 -2.719 5.363 370 HB3 TYR 50 HB3 TYR 50 22.274 -3.240 5.502 371 HD1 TYR 50 HD2 TYR 50 20.049 -0.536 4.386 372 HD2 TYR 50 HD1 TYR 50 24.087 -1.760 4.934 373 HE1 TYR 50 HE2 TYR 50 20.790 1.790 4.081 374 HE2 TYR 50 HE1 TYR 50 24.839 0.562 4.632 375 HH TYR 50 HH TYR 50 22.596 3.113 3.709 376 H PHE 51 H PHE 51 19.196 -2.987 2.479 377 HA PHE 51 HA PHE 51 20.145 -0.719 0.936 378 HB2 PHE 51 HB2 PHE 51 19.234 -1.640 -1.193 379 HB3 PHE 51 HB3 PHE 51 20.633 -2.525 -0.594 380 HD1 PHE 51 HD1 PHE 51 20.259 -4.704 0.610 381 HD2 PHE 51 HD2 PHE 51 17.191 -2.716 -1.571 382 HE1 PHE 51 HE1 PHE 51 18.977 -6.802 0.507 383 HE2 PHE 51 HE2 PHE 51 15.904 -4.810 -1.676 384 HZ PHE 51 HZ PHE 51 16.796 -6.856 -0.636 385 H ASP 52 H ASP 52 18.426 0.548 0.025 386 HA ASP 52 HA ASP 52 16.133 0.660 1.704 387 HB2 ASP 52 HB2 ASP 52 15.398 2.440 0.022 388 HB3 ASP 52 HB3 ASP 52 16.907 2.735 0.883 389 H CYS 53 H CYS 53 14.157 -0.179 1.455 390 HA CYS 53 HA CYS 53 13.577 -1.584 -1.069 391 HB2 CYS 53 HB2 CYS 53 13.350 -2.383 1.716 392 HB3 CYS 53 HB3 CYS 53 11.820 -2.563 0.863 393 H SER 54 H SER 54 11.459 -1.498 -1.910 394 HA SER 54 HA SER 54 9.456 -0.548 -2.433 395 HB2 SER 54 HB2 SER 54 9.590 -0.371 0.443 396 HB3 SER 54 HB3 SER 54 8.777 1.050 -0.212 397 HG SER 54 HG SER 54 7.292 -0.269 -1.202 398 H LYS 55 H LYS 55 10.697 1.955 -0.238 399 HA LYS 55 HA LYS 55 11.677 3.641 -2.301 400 HB2 LYS 55 HB2 LYS 55 8.886 3.705 -1.962 401 HB3 LYS 55 HB3 LYS 55 9.492 5.161 -1.182 402 HG2 LYS 55 HG2 LYS 55 9.626 6.125 -3.166 403 HG3 LYS 55 HG3 LYS 55 10.854 4.945 -3.632 404 HD2 LYS 55 HD2 LYS 55 9.047 4.941 -5.247 405 HD3 LYS 55 HD3 LYS 55 9.069 3.412 -4.365 406 HE2 LYS 55 HE2 LYS 55 6.792 4.374 -4.686 407 HE3 LYS 55 HE3 LYS 55 7.227 4.098 -3.000 408 HZ1 LYS 55 HZ1 LYS 55 6.181 6.364 -3.856 409 HZ2 LYS 55 HZ2 LYS 55 7.815 6.735 -4.089 410 HZ3 LYS 55 HZ3 LYS 55 7.258 6.297 -2.552 411 H SER 56 H SER 56 12.440 2.623 0.307 412 HA SER 56 HA SER 56 12.239 4.511 2.351 413 HB2 SER 56 HB2 SER 56 13.121 2.551 3.154 414 HB3 SER 56 HB3 SER 56 14.102 2.277 1.715 415 HG SER 56 HG SER 56 14.886 3.267 4.020 416 HA PRO 57 HA PRO 57 14.791 7.876 1.152 417 HB2 PRO 57 HB2 PRO 57 15.729 8.689 3.567 418 HB3 PRO 57 HB3 PRO 57 14.058 8.943 3.050 419 HG2 PRO 57 HG2 PRO 57 15.186 6.823 4.837 420 HG3 PRO 57 HG3 PRO 57 13.697 7.767 5.024 421 HD2 PRO 57 HD2 PRO 57 13.703 5.228 4.085 422 HD3 PRO 57 HD3 PRO 57 12.521 6.441 3.552 423 HA PRO 58 HA PRO 58 19.033 6.765 0.821 424 HB2 PRO 58 HB2 PRO 58 20.318 9.140 1.105 425 HB3 PRO 58 HB3 PRO 58 19.375 8.723 -0.331 426 HG2 PRO 58 HG2 PRO 58 18.597 10.399 2.024 427 HG3 PRO 58 HG3 PRO 58 18.305 10.689 0.299 428 HD2 PRO 58 HD2 PRO 58 16.403 9.698 1.952 429 HD3 PRO 58 HD3 PRO 58 16.500 9.258 0.235 430 H GLY 59 H GLY 59 18.752 5.615 2.977 431 HA2 GLY 59 HA2 GLY 59 20.671 5.281 4.584 432 HA3 GLY 59 HA3 GLY 59 20.366 6.944 5.064 433 H ALA 60 H ALA 60 19.854 3.812 5.908 434 HA ALA 60 HA ALA 60 18.176 4.414 8.068 435 HB1 ALA 60 HB1 ALA 60 16.118 4.324 7.250 436 HB2 ALA 60 HB2 ALA 60 16.763 4.051 5.630 437 HB3 ALA 60 HB3 ALA 60 16.414 2.680 6.683 438 H THR 61 H THR 61 16.969 2.106 8.686 439 HA THR 61 HA THR 61 19.120 0.096 8.515 440 HB THR 61 HB THR 61 17.941 -0.671 10.774 441 HG1 THR 61 HG1 THR 61 17.513 2.148 10.681 442 HG21 THR 61 HG21 THR 61 20.182 -0.295 11.014 443 HG22 THR 61 HG22 THR 61 19.573 1.105 11.897 444 HG23 THR 61 HG23 THR 61 20.113 1.281 10.228 445 HA PRO 62 HA PRO 62 16.251 -2.860 6.999 446 HB2 PRO 62 HB2 PRO 62 17.078 -5.135 8.228 447 HB3 PRO 62 HB3 PRO 62 17.990 -4.360 6.928 448 HG2 PRO 62 HG2 PRO 62 18.412 -4.212 9.888 449 HG3 PRO 62 HG3 PRO 62 19.611 -4.397 8.594 450 HD2 PRO 62 HD2 PRO 62 19.124 -2.022 9.800 451 HD3 PRO 62 HD3 PRO 62 19.607 -2.147 8.096 452 H ALA 63 H ALA 63 14.873 -4.831 7.850 453 HA ALA 63 HA ALA 63 13.509 -3.919 10.298 454 HB1 ALA 63 HB1 ALA 63 12.518 -4.722 7.671 455 HB2 ALA 63 HB2 ALA 63 11.684 -5.502 9.015 456 HB3 ALA 63 HB3 ALA 63 11.754 -3.742 8.923 457 HA PRO 64 HA PRO 64 15.289 -8.097 11.239 458 HB2 PRO 64 HB2 PRO 64 16.109 -7.437 13.742 459 HB3 PRO 64 HB3 PRO 64 17.095 -7.156 12.302 460 HG2 PRO 64 HG2 PRO 64 15.368 -5.238 13.819 461 HG3 PRO 64 HG3 PRO 64 16.993 -4.993 13.153 462 HD2 PRO 64 HD2 PRO 64 14.760 -4.090 11.916 463 HD3 PRO 64 HD3 PRO 64 16.199 -4.620 11.021 464 HA PRO 65 HA PRO 65 11.911 -9.596 13.622 465 HB2 PRO 65 HB2 PRO 65 13.073 -11.480 15.194 466 HB3 PRO 65 HB3 PRO 65 12.835 -11.693 13.455 467 HG2 PRO 65 HG2 PRO 65 15.299 -10.869 14.943 468 HG3 PRO 65 HG3 PRO 65 15.135 -12.004 13.591 469 HD2 PRO 65 HD2 PRO 65 15.991 -9.457 13.259 470 HD3 PRO 65 HD3 PRO 65 15.055 -10.319 12.021 471 H GLY 66 H GLY 66 11.824 -7.421 14.720 472 HA2 GLY 66 HA2 GLY 66 11.011 -6.906 16.977 473 HA3 GLY 66 HA3 GLY 66 12.421 -7.755 17.595 474 H ALA 67 H ALA 67 14.565 -6.807 16.900 475 HA ALA 67 HA ALA 67 14.848 -4.184 15.997 476 HB1 ALA 67 HB1 ALA 67 14.556 -2.821 17.739 477 HB2 ALA 67 HB2 ALA 67 13.691 -4.162 18.490 478 HB3 ALA 67 HB3 ALA 67 15.400 -3.907 18.842 479 H ALA 68 H ALA 68 16.158 -6.714 15.814 480 HA ALA 68 HA ALA 68 18.783 -6.093 17.002 481 HB1 ALA 68 HB1 ALA 68 17.755 -8.781 16.101 482 HB2 ALA 68 HB2 ALA 68 19.302 -8.455 16.883 483 HB3 ALA 68 HB3 ALA 68 17.798 -8.214 17.771 484 HA PRO 69 HA PRO 69 19.166 -5.500 12.410 485 HB2 PRO 69 HB2 PRO 69 20.599 -3.201 12.590 486 HB3 PRO 69 HB3 PRO 69 18.831 -3.235 12.598 487 HG2 PRO 69 HG2 PRO 69 20.732 -3.012 14.900 488 HG3 PRO 69 HG3 PRO 69 19.224 -2.127 14.604 489 HD2 PRO 69 HD2 PRO 69 19.368 -4.232 16.302 490 HD3 PRO 69 HD3 PRO 69 17.909 -3.862 15.360 491 HA PRO 70 HA PRO 70 23.260 -7.061 12.036 492 HB2 PRO 70 HB2 PRO 70 24.158 -5.858 9.774 493 HB3 PRO 70 HB3 PRO 70 22.934 -7.133 9.763 494 HG2 PRO 70 HG2 PRO 70 22.581 -4.165 9.588 495 HG3 PRO 70 HG3 PRO 70 21.772 -5.445 8.664 496 HD2 PRO 70 HD2 PRO 70 20.604 -4.208 10.771 497 HD3 PRO 70 HD3 PRO 70 20.286 -5.907 10.365 498 HA PRO 71 HA PRO 71 26.323 -4.382 13.703 499 HB2 PRO 71 HB2 PRO 71 28.603 -5.273 12.529 500 HB3 PRO 71 HB3 PRO 71 27.742 -6.188 13.772 501 HG2 PRO 71 HG2 PRO 71 27.682 -6.514 10.797 502 HG3 PRO 71 HG3 PRO 71 27.768 -7.759 12.057 503 HD2 PRO 71 HD2 PRO 71 25.461 -7.129 10.786 504 HD3 PRO 71 HD3 PRO 71 25.504 -7.668 12.477 505 H ALA 72 H ALA 72 27.960 -2.744 13.209 506 HA ALA 72 HA ALA 72 27.177 -0.910 11.302 507 HB1 ALA 72 HB1 ALA 72 28.530 -0.122 13.047 508 HB2 ALA 72 HB2 ALA 72 29.799 -1.301 12.713 509 HB3 ALA 72 HB3 ALA 72 29.525 0.039 11.599 510 H ALA 73 H ALA 73 30.360 -2.468 11.059 511 HA ALA 73 HA ALA 73 29.996 -3.659 8.551 512 HB1 ALA 73 HB1 ALA 73 29.717 -1.603 7.497 513 HB2 ALA 73 HB2 ALA 73 30.941 -0.816 8.494 514 HB3 ALA 73 HB3 ALA 73 31.425 -1.963 7.246 515 H GLY 74 H GLY 74 32.541 -1.602 9.993 516 HA2 GLY 74 HA2 GLY 74 34.564 -2.254 10.936 517 HA3 GLY 74 HA3 GLY 74 34.150 -3.928 10.599 518 H GLY 75 H GLY 75 36.562 -2.074 10.081 519 HA2 GLY 75 HA2 GLY 75 36.824 -1.912 7.248 520 HA3 GLY 75 HA3 GLY 75 38.121 -1.736 8.421 521 H SER 76 H SER 76 36.233 -4.056 6.566 522 HA SER 76 HA SER 76 36.728 -6.127 5.765 523 HB2 SER 76 HB2 SER 76 38.796 -6.332 4.874 524 HB3 SER 76 HB3 SER 76 39.050 -4.698 5.488 525 HG SER 76 HG SER 76 40.708 -5.880 6.293 526 HA PRO 77 HA PRO 77 36.781 -8.935 9.134 527 HB2 PRO 77 HB2 PRO 77 37.789 -11.188 8.005 528 HB3 PRO 77 HB3 PRO 77 36.168 -10.579 7.652 529 HG2 PRO 77 HG2 PRO 77 38.692 -10.277 6.070 530 HG3 PRO 77 HG3 PRO 77 37.053 -10.647 5.502 531 HD2 PRO 77 HD2 PRO 77 38.125 -8.166 5.339 532 HD3 PRO 77 HD3 PRO 77 36.389 -8.442 5.588 533 H SER 78 H SER 78 38.415 -7.754 10.341 534 HA SER 78 HA SER 78 40.318 -7.650 11.583 535 HB2 SER 78 HB2 SER 78 39.896 -10.428 11.071 536 HB3 SER 78 HB3 SER 78 41.627 -10.107 10.979 537 HG SER 78 HG SER 78 40.991 -10.565 13.113 538 HA PRO 79 HA PRO 79 43.587 -6.310 8.985 539 HB2 PRO 79 HB2 PRO 79 45.772 -6.671 10.555 540 HB3 PRO 79 HB3 PRO 79 44.574 -5.405 10.852 541 HG2 PRO 79 HG2 PRO 79 44.863 -8.083 12.158 542 HG3 PRO 79 HG3 PRO 79 44.511 -6.510 12.897 543 HD2 PRO 79 HD2 PRO 79 42.586 -8.347 12.397 544 HD3 PRO 79 HD3 PRO 79 42.279 -6.600 12.328 545 HA PRO 80 HA PRO 80 45.591 -9.590 6.850 546 HB2 PRO 80 HB2 PRO 80 47.961 -8.480 6.129 547 HB3 PRO 80 HB3 PRO 80 46.421 -8.020 5.392 548 HG2 PRO 80 HG2 PRO 80 47.973 -6.646 7.552 549 HG3 PRO 80 HG3 PRO 80 47.144 -5.944 6.150 550 HD2 PRO 80 HD2 PRO 80 46.069 -5.932 8.635 551 HD3 PRO 80 HD3 PRO 80 45.078 -6.039 7.166 552 H ALA 81 H ALA 81 47.739 -10.820 6.694 553 HA ALA 81 HA ALA 81 49.527 -10.758 8.909 554 HB1 ALA 81 HB1 ALA 81 47.303 -11.808 9.772 555 HB2 ALA 81 HB2 ALA 81 47.869 -13.241 8.913 556 HB3 ALA 81 HB3 ALA 81 48.849 -12.541 10.201 557 H ASP 82 H ASP 82 49.733 -10.797 6.075 558 HA ASP 82 HA ASP 82 51.136 -11.693 4.515 559 HB2 ASP 82 HB2 ASP 82 52.460 -12.320 6.661 560 HB3 ASP 82 HB3 ASP 82 51.839 -13.943 6.377 561 H GLY 83 H GLY 83 50.022 -14.584 6.286 562 HA2 GLY 83 HA2 GLY 83 48.127 -15.876 5.480 563 HA3 GLY 83 HA3 GLY 83 48.563 -15.385 3.849 564 H GLY 84 H GLY 84 49.469 -17.423 6.571 565 HA2 GLY 84 HA2 GLY 84 50.427 -19.461 4.794 566 HA3 GLY 84 HA3 GLY 84 51.732 -18.667 5.662 567 H SER 85 H SER 85 52.015 -19.046 7.839 568 HA SER 85 HA SER 85 50.109 -20.467 9.419 569 HB2 SER 85 HB2 SER 85 51.101 -22.263 7.902 570 HB3 SER 85 HB3 SER 85 52.619 -22.013 8.764 571 HG SER 85 HG SER 85 51.773 -23.462 10.052 572 HA PRO 86 HA PRO 86 53.382 -17.959 11.601 573 HB2 PRO 86 HB2 PRO 86 51.629 -16.364 12.926 574 HB3 PRO 86 HB3 PRO 86 52.227 -15.994 11.305 575 HG2 PRO 86 HG2 PRO 86 49.634 -17.242 12.128 576 HG3 PRO 86 HG3 PRO 86 49.937 -15.998 10.901 577 HD2 PRO 86 HD2 PRO 86 49.559 -18.604 10.271 578 HD3 PRO 86 HD3 PRO 86 50.620 -17.538 9.328 579 HA PRO 87 HA PRO 87 53.088 -20.087 15.437 580 HB2 PRO 87 HB2 PRO 87 54.019 -18.256 17.213 581 HB3 PRO 87 HB3 PRO 87 55.062 -19.081 16.048 582 HG2 PRO 87 HG2 PRO 87 53.860 -16.342 15.909 583 HG3 PRO 87 HG3 PRO 87 55.502 -16.867 15.491 584 HD2 PRO 87 HD2 PRO 87 53.587 -16.446 13.623 585 HD3 PRO 87 HD3 PRO 87 54.855 -17.673 13.431 586 HA PRO 88 HA PRO 88 49.412 -19.185 17.674 587 HB2 PRO 88 HB2 PRO 88 50.038 -19.963 20.199 588 HB3 PRO 88 HB3 PRO 88 49.775 -21.108 18.878 589 HG2 PRO 88 HG2 PRO 88 52.349 -20.074 20.003 590 HG3 PRO 88 HG3 PRO 88 51.919 -21.728 19.531 591 HD2 PRO 88 HD2 PRO 88 53.398 -20.099 17.952 592 HD3 PRO 88 HD3 PRO 88 52.288 -21.319 17.293 593 HA PRO 89 HA PRO 89 49.508 -15.296 19.724 594 HB2 PRO 89 HB2 PRO 89 47.541 -15.544 21.578 595 HB3 PRO 89 HB3 PRO 89 47.217 -15.400 19.846 596 HG2 PRO 89 HG2 PRO 89 47.289 -17.852 21.562 597 HG3 PRO 89 HG3 PRO 89 46.129 -17.406 20.297 598 HD2 PRO 89 HD2 PRO 89 48.148 -19.159 19.870 599 HD3 PRO 89 HD3 PRO 89 47.530 -18.087 18.598 600 H ALA 90 H ALA 90 51.228 -14.776 20.934 601 HA ALA 90 HA ALA 90 52.623 -14.551 22.718 602 HB1 ALA 90 HB1 ALA 90 51.502 -14.001 24.554 603 HB2 ALA 90 HB2 ALA 90 50.038 -14.594 23.768 604 HB3 ALA 90 HB3 ALA 90 50.980 -15.667 24.802 605 H ASP 91 H ASP 91 53.183 -15.987 24.930 606 HA ASP 91 HA ASP 91 53.963 -18.586 23.807 607 HB2 ASP 91 HB2 ASP 91 55.634 -16.811 24.770 608 HB3 ASP 91 HB3 ASP 91 55.127 -17.458 26.328 609 H GLY 92 H GLY 92 53.662 -20.503 24.946 610 HA2 GLY 92 HA2 GLY 92 51.297 -20.708 26.455 611 HA3 GLY 92 HA3 GLY 92 52.507 -21.970 26.280 612 H GLY 93 H GLY 93 51.236 -21.856 28.633 613 HA2 GLY 93 HA2 GLY 93 52.908 -20.298 30.471 614 HA3 GLY 93 HA3 GLY 93 51.404 -21.111 30.880 615 H SER 94 H SER 94 52.385 -23.555 29.408 616 HA SER 94 HA SER 94 53.414 -25.520 29.910 617 HB2 SER 94 HB2 SER 94 55.498 -24.101 31.527 618 HB3 SER 94 HB3 SER 94 55.677 -25.462 30.420 619 HG SER 94 HG SER 94 55.122 -23.891 28.726 620 HA PRO 95 HA PRO 95 52.054 -26.846 30.158 621 HB2 PRO 95 HB2 PRO 95 49.485 -27.347 30.880 622 HB3 PRO 95 HB3 PRO 95 50.832 -28.398 31.332 623 HG2 PRO 95 HG2 PRO 95 49.453 -26.287 32.945 624 HG3 PRO 95 HG3 PRO 95 49.976 -27.908 33.438 625 HD2 PRO 95 HD2 PRO 95 51.392 -25.678 34.031 626 HD3 PRO 95 HD3 PRO 95 52.165 -27.249 33.736 627 HA PRO 96 HA PRO 96 50.063 -23.464 28.171 628 HB2 PRO 96 HB2 PRO 96 48.608 -24.734 26.262 629 HB3 PRO 96 HB3 PRO 96 50.368 -24.592 26.192 630 HG2 PRO 96 HG2 PRO 96 48.690 -26.899 27.096 631 HG3 PRO 96 HG3 PRO 96 50.144 -26.903 26.082 632 HD2 PRO 96 HD2 PRO 96 50.204 -27.524 28.717 633 HD3 PRO 96 HD3 PRO 96 51.560 -26.728 27.892 634 H VAL 97 H VAL 97 48.629 -22.473 29.517 635 HA VAL 97 HA VAL 97 46.013 -23.711 29.965 636 HB VAL 97 HB VAL 97 47.101 -21.191 31.222 637 HG11 VAL 97 HG11 VAL 97 44.818 -23.007 31.994 638 HG12 VAL 97 HG12 VAL 97 45.368 -21.601 32.908 639 HG13 VAL 97 HG13 VAL 97 44.676 -21.392 31.299 640 HG21 VAL 97 HG21 VAL 97 47.533 -22.643 33.206 641 HG22 VAL 97 HG22 VAL 97 47.228 -24.047 32.183 642 HG23 VAL 97 HG23 VAL 97 48.582 -22.973 31.828 643 H ASP 98 H ASP 98 47.527 -20.880 28.538 644 HA ASP 98 HA ASP 98 44.997 -19.652 27.871 645 HB2 ASP 98 HB2 ASP 98 47.693 -18.791 28.062 646 HB3 ASP 98 HB3 ASP 98 47.178 -18.519 26.399 647 H GLY 99 H GLY 99 47.357 -21.715 26.349 648 HA2 GLY 99 HA2 GLY 99 46.562 -21.286 23.658 649 HA3 GLY 99 HA3 GLY 99 47.456 -22.673 24.262 650 H GLY 100 H GLY 100 45.711 -23.157 22.297 651 HA2 GLY 100 HA2 GLY 100 44.268 -25.123 22.268 652 HA3 GLY 100 HA3 GLY 100 43.488 -24.491 23.711 653 H SER 101 H SER 101 41.430 -24.213 23.066 654 HA SER 101 HA SER 101 39.622 -23.331 22.005 655 HB2 SER 101 HB2 SER 101 41.441 -21.247 20.811 656 HB3 SER 101 HB3 SER 101 39.745 -21.091 21.266 657 HG SER 101 HG SER 101 42.024 -21.190 22.924 658 HA PRO 102 HA PRO 102 40.954 -25.410 18.067 659 HB2 PRO 102 HB2 PRO 102 39.058 -27.350 18.174 660 HB3 PRO 102 HB3 PRO 102 40.631 -27.499 18.967 661 HG2 PRO 102 HG2 PRO 102 37.985 -26.729 20.136 662 HG3 PRO 102 HG3 PRO 102 39.225 -27.815 20.792 663 HD2 PRO 102 HD2 PRO 102 38.936 -25.256 21.631 664 HD3 PRO 102 HD3 PRO 102 40.512 -26.073 21.580 665 HA PRO 103 HA PRO 103 39.974 -27.059 16.420 666 HB2 PRO 103 HB2 PRO 103 40.206 -26.506 13.772 667 HB3 PRO 103 HB3 PRO 103 38.796 -27.317 14.465 668 HG2 PRO 103 HG2 PRO 103 39.149 -24.439 13.719 669 HG3 PRO 103 HG3 PRO 103 37.759 -25.504 13.441 670 HD2 PRO 103 HD2 PRO 103 37.832 -23.700 15.459 671 HD3 PRO 103 HD3 PRO 103 36.973 -25.248 15.593 672 HA PRO 104 HA PRO 104 44.002 -25.298 16.307 673 HB2 PRO 104 HB2 PRO 104 45.360 -27.007 14.693 674 HB3 PRO 104 HB3 PRO 104 44.844 -27.436 16.328 675 HG2 PRO 104 HG2 PRO 104 43.570 -28.104 13.703 676 HG3 PRO 104 HG3 PRO 104 43.821 -29.140 15.120 677 HD2 PRO 104 HD2 PRO 104 41.437 -27.981 14.568 678 HD3 PRO 104 HD3 PRO 104 41.990 -28.284 16.228 679 HA PRO 105 HA PRO 105 44.702 -22.729 12.808 680 HB2 PRO 105 HB2 PRO 105 47.411 -22.597 12.691 681 HB3 PRO 105 HB3 PRO 105 46.464 -21.798 13.952 682 HG2 PRO 105 HG2 PRO 105 47.942 -24.399 14.055 683 HG3 PRO 105 HG3 PRO 105 47.866 -23.106 15.267 684 HD2 PRO 105 HD2 PRO 105 46.387 -25.366 15.454 685 HD3 PRO 105 HD3 PRO 105 45.816 -23.799 16.061 686 H SER 106 H SER 106 46.161 -22.570 10.750 687 HA SER 106 HA SER 106 46.578 -23.410 8.675 688 HB2 SER 106 HB2 SER 106 48.556 -24.350 9.616 689 HB3 SER 106 HB3 SER 106 47.650 -25.638 10.410 690 HG SER 106 HG SER 106 47.314 -26.605 8.458 691 H THR 107 H THR 107 44.180 -23.471 8.493 692 HA THR 107 HA THR 107 42.624 -25.742 8.881 693 HB THR 107 HB THR 107 42.069 -24.071 6.478 694 HG1 THR 107 HG1 THR 107 41.689 -23.068 9.113 695 HG21 THR 107 HG21 THR 107 39.789 -24.101 7.488 696 HG22 THR 107 HG22 THR 107 40.427 -25.102 8.792 697 HG23 THR 107 HG23 THR 107 40.429 -25.706 7.135 698 H HIS 108 H HIS 108 42.477 -27.654 7.896 699 HA HIS 108 HA HIS 108 42.966 -29.394 6.509 700 HB2 HIS 108 HB2 HIS 108 41.874 -27.289 4.949 701 HB3 HIS 108 HB3 HIS 108 43.156 -28.031 3.998 702 HD1 HIS 108 HD1 HIS 108 41.959 -29.495 2.392 703 HD2 HIS 108 HD2 HIS 108 40.485 -29.888 6.256 704 HE1 HIS 108 HE1 HIS 108 40.275 -31.359 2.283
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