NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5647 | 1hrj | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 9.337 -15.474 -8.627 2 HA SER 1 HA SER 1 10.653 -13.120 -9.710 3 1HB SER 1 1HB SER 1 7.694 -12.994 -9.058 4 2HB SER 1 2HB SER 1 8.722 -11.575 -9.262 5 HG SER 1 HG SER 1 8.434 -11.795 -11.310 6 HA PRO 2 HA PRO 2 11.145 -13.964 -5.188 7 1HB PRO 2 1HB PRO 2 13.764 -12.764 -5.471 8 2HB PRO 2 2HB PRO 2 13.370 -14.447 -5.100 9 1HG PRO 2 1HG PRO 2 14.401 -13.386 -7.572 10 2HG PRO 2 2HG PRO 2 13.977 -15.064 -7.212 11 1HD PRO 2 1HD PRO 2 12.564 -13.205 -8.907 12 2HD PRO 2 2HD PRO 2 12.138 -14.888 -8.545 13 H TYR 3 H TYR 3 10.184 -12.391 -3.972 14 HA TYR 3 HA TYR 3 10.443 -9.563 -4.763 15 1HB TYR 3 1HB TYR 3 8.832 -10.938 -2.595 16 2HB TYR 3 2HB TYR 3 8.792 -9.202 -2.905 17 HD1 TYR 3 HD1 TYR 3 8.744 -8.835 -5.723 18 HD2 TYR 3 HD2 TYR 3 6.913 -11.996 -3.421 19 HE1 TYR 3 HE1 TYR 3 7.082 -9.199 -7.544 20 HE2 TYR 3 HE2 TYR 3 5.250 -12.359 -5.242 21 HH TYR 3 HH TYR 3 5.613 -11.066 -8.353 22 H SER 4 H SER 4 12.277 -8.567 -4.067 23 HA SER 4 HA SER 4 13.115 -9.046 -1.233 24 1HB SER 4 1HB SER 4 14.668 -8.895 -3.759 25 2HB SER 4 2HB SER 4 15.364 -8.049 -2.378 26 HG SER 4 HG SER 4 15.868 -10.379 -2.672 27 H SER 5 H SER 5 14.062 -6.606 -3.647 28 HA SER 5 HA SER 5 12.911 -4.514 -1.843 29 1HB SER 5 1HB SER 5 14.904 -3.111 -2.833 30 2HB SER 5 2HB SER 5 15.203 -4.206 -1.483 31 HG SER 5 HG SER 5 15.615 -4.738 -4.236 32 H ASP 6 H ASP 6 11.047 -4.586 -3.304 33 HA ASP 6 HA ASP 6 11.425 -2.817 -5.634 34 1HB ASP 6 2HB ASP 6 10.404 -4.363 -7.226 35 2HB ASP 6 1HB ASP 6 11.807 -5.142 -6.501 36 H THR 7 H THR 7 8.815 -3.438 -6.730 37 HA THR 7 HA THR 7 7.268 -1.872 -4.837 38 HB THR 7 HB THR 7 6.992 -1.380 -7.184 39 HG1 THR 7 HG1 THR 7 4.979 -1.088 -6.753 40 1HG2 THR 7 3HG2 THR 7 6.492 -4.346 -7.368 41 2HG2 THR 7 1HG2 THR 7 5.888 -3.253 -8.613 42 3HG2 THR 7 2HG2 THR 7 7.620 -3.359 -8.297 43 H THR 8 H THR 8 4.883 -2.634 -4.479 44 HA THR 8 HA THR 8 4.634 -5.564 -4.175 45 HB THR 8 HB THR 8 4.145 -3.782 -1.783 46 HG1 THR 8 HG1 THR 8 6.300 -3.566 -2.153 47 1HG2 THR 8 3HG2 THR 8 3.624 -6.482 -2.402 48 2HG2 THR 8 1HG2 THR 8 5.002 -6.506 -1.302 49 3HG2 THR 8 2HG2 THR 8 3.502 -5.715 -0.818 50 HA PRO 9 HA PRO 9 0.745 -3.794 -5.683 51 1HB PRO 9 1HB PRO 9 -0.169 -6.518 -6.008 52 2HB PRO 9 2HB PRO 9 0.269 -5.359 -7.269 53 1HG PRO 9 1HG PRO 9 1.770 -7.671 -6.390 54 2HG PRO 9 2HG PRO 9 2.205 -6.520 -7.654 55 1HD PRO 9 1HD PRO 9 3.385 -6.806 -5.071 56 2HD PRO 9 2HD PRO 9 3.785 -5.616 -6.323 57 H CYS 10 H CYS 10 -0.149 -3.055 -3.746 58 HA CYS 10 HA CYS 10 -1.633 -5.088 -2.148 59 1HB CYS 10 2HB CYS 10 0.437 -3.178 -1.248 60 2HB CYS 10 1HB CYS 10 -1.030 -3.200 -0.270 61 H CYS 11 H CYS 11 -3.101 -3.720 -0.535 62 HA CYS 11 HA CYS 11 -4.389 -1.629 -2.214 63 1HB CYS 11 1HB CYS 11 -6.212 -2.919 -2.231 64 2HB CYS 11 2HB CYS 11 -5.436 -4.107 -1.202 65 H PHE 12 H PHE 12 -5.523 0.075 -0.893 66 HA PHE 12 HA PHE 12 -4.091 0.477 1.702 67 1HB PHE 12 2HB PHE 12 -3.674 2.202 -0.042 68 2HB PHE 12 1HB PHE 12 -5.386 2.548 -0.089 69 HD1 PHE 12 HD1 PHE 12 -2.327 2.685 2.004 70 HD2 PHE 12 HD2 PHE 12 -6.489 3.791 1.686 71 HE1 PHE 12 HE1 PHE 12 -2.075 4.203 3.964 72 HE2 PHE 12 HE2 PHE 12 -6.237 5.307 3.649 73 HZ PHE 12 HZ PHE 12 -4.030 5.511 4.790 74 H ALA 13 H ALA 13 -7.126 1.761 0.314 75 HA ALA 13 HA ALA 13 -8.443 1.082 2.907 76 1HB ALA 13 3HB ALA 13 -8.675 3.348 1.013 77 2HB ALA 13 1HB ALA 13 -10.198 2.755 1.675 78 3HB ALA 13 2HB ALA 13 -8.923 3.313 2.759 79 H TYR 14 H TYR 14 -10.489 0.067 2.864 80 HA TYR 14 HA TYR 14 -10.869 -1.556 0.438 81 1HB TYR 14 2HB TYR 14 -12.631 -1.865 2.837 82 2HB TYR 14 1HB TYR 14 -12.015 -3.096 1.741 83 HD1 TYR 14 HD1 TYR 14 -9.548 -3.737 1.843 84 HD2 TYR 14 HD2 TYR 14 -11.459 -1.290 4.843 85 HE1 TYR 14 HE1 TYR 14 -7.666 -4.193 3.413 86 HE2 TYR 14 HE2 TYR 14 -9.581 -1.753 6.417 87 HH TYR 14 HH TYR 14 -7.420 -4.205 6.042 88 H ILE 15 H ILE 15 -12.830 -1.573 -0.750 89 HA ILE 15 HA ILE 15 -14.199 0.923 -0.974 90 HB ILE 15 HB ILE 15 -14.072 -0.717 -2.820 91 1HG1 ILE 15 1HG1 ILE 15 -16.850 -0.821 -2.900 92 2HG1 ILE 15 2HG1 ILE 15 -16.518 0.559 -1.854 93 1HG2 ILE 15 1HG2 ILE 15 -14.887 -2.516 -0.817 94 2HG2 ILE 15 2HG2 ILE 15 -16.243 -2.425 -1.940 95 3HG2 ILE 15 3HG2 ILE 15 -14.642 -2.878 -2.524 96 1HD1 ILE 15 3HD1 ILE 15 -14.899 0.305 -4.349 97 2HD1 ILE 15 1HD1 ILE 15 -16.583 0.799 -4.521 98 3HD1 ILE 15 2HD1 ILE 15 -15.479 1.755 -3.531 99 H ALA 16 H ALA 16 -16.019 1.681 0.049 100 HA ALA 16 HA ALA 16 -17.072 0.076 2.288 101 1HB ALA 16 1HB ALA 16 -16.512 2.593 2.372 102 2HB ALA 16 2HB ALA 16 -18.009 2.826 1.469 103 3HB ALA 16 3HB ALA 16 -18.051 2.087 3.070 104 H ARG 17 H ARG 17 -17.882 -1.390 0.340 105 HA ARG 17 HA ARG 17 -20.693 -1.371 0.328 106 1HB ARG 17 2HB ARG 17 -19.635 0.588 -1.432 107 2HB ARG 17 1HB ARG 17 -20.266 -0.701 -2.428 108 1HG ARG 17 1HG ARG 17 -21.997 0.021 -0.157 109 2HG ARG 17 2HG ARG 17 -21.791 1.303 -1.349 110 1HD ARG 17 1HD ARG 17 -22.214 -0.686 -3.059 111 2HD ARG 17 2HD ARG 17 -23.026 -1.405 -1.669 112 HE ARG 17 HE ARG 17 -24.167 1.046 -1.689 113 1HH1 ARG 17 2HH2 ARG 17 -23.146 0.291 -4.886 114 2HH1 ARG 17 1HH2 ARG 17 -24.508 1.317 -5.187 115 1HH2 ARG 17 2HH1 ARG 17 -26.117 -0.676 -2.642 116 2HH2 ARG 17 1HH1 ARG 17 -26.361 -0.128 -4.266 117 HA PRO 18 HA PRO 18 -19.245 -5.373 -1.053 118 1HB PRO 18 1HB PRO 18 -21.938 -6.201 -1.589 119 2HB PRO 18 2HB PRO 18 -20.932 -6.658 -0.245 120 1HG PRO 18 2HG PRO 18 -23.186 -4.854 -0.225 121 2HG PRO 18 1HG PRO 18 -22.196 -5.372 1.146 122 1HD PRO 18 1HD PRO 18 -22.209 -2.798 -0.095 123 2HD PRO 18 2HD PRO 18 -21.151 -3.350 1.191 124 H LEU 19 H LEU 19 -18.298 -4.863 -3.036 125 HA LEU 19 HA LEU 19 -19.598 -3.866 -5.338 126 1HB LEU 19 2HB LEU 19 -17.282 -5.808 -5.271 127 2HB LEU 19 1HB LEU 19 -17.681 -4.732 -6.583 128 HG LEU 19 HG LEU 19 -16.761 -3.960 -3.810 129 1HD1 LEU 19 3HD1 LEU 19 -15.116 -4.749 -5.638 130 2HD1 LEU 19 1HD1 LEU 19 -15.513 -3.240 -6.459 131 3HD1 LEU 19 2HD1 LEU 19 -14.779 -3.204 -4.856 132 1HD2 LEU 19 1HD2 LEU 19 -18.209 -2.444 -5.896 133 2HD2 LEU 19 2HD2 LEU 19 -18.060 -2.116 -4.170 134 3HD2 LEU 19 3HD2 LEU 19 -16.766 -1.646 -5.272 135 HA PRO 20 HA PRO 20 -22.235 -7.435 -6.087 136 1HB PRO 20 1HB PRO 20 -22.693 -6.432 -8.775 137 2HB PRO 20 2HB PRO 20 -23.824 -6.486 -7.417 138 1HG PRO 20 1HG PRO 20 -22.513 -4.172 -8.504 139 2HG PRO 20 2HG PRO 20 -23.583 -4.237 -7.098 140 1HD PRO 20 1HD PRO 20 -20.726 -3.830 -7.131 141 2HD PRO 20 2HD PRO 20 -21.801 -3.896 -5.721 142 H ARG 21 H ARG 21 -21.345 -9.365 -6.675 143 HA ARG 21 HA ARG 21 -18.910 -9.713 -8.014 144 1HB ARG 21 2HB ARG 21 -20.281 -11.448 -6.718 145 2HB ARG 21 1HB ARG 21 -21.176 -11.703 -8.216 146 1HG ARG 21 2HG ARG 21 -18.197 -11.732 -8.381 147 2HG ARG 21 1HG ARG 21 -18.977 -13.119 -7.623 148 1HD ARG 21 2HD ARG 21 -20.420 -12.404 -10.004 149 2HD ARG 21 1HD ARG 21 -18.727 -12.579 -10.396 150 HE ARG 21 HE ARG 21 -19.943 -14.747 -8.799 151 1HH1 ARG 21 2HH2 ARG 21 -17.443 -14.789 -11.280 152 2HH1 ARG 21 1HH2 ARG 21 -18.670 -14.206 -12.355 153 1HH2 ARG 21 1HH1 ARG 21 -20.948 -16.193 -10.947 154 2HH2 ARG 21 2HH1 ARG 21 -19.431 -17.029 -10.948 155 H ALA 22 H ALA 22 -22.058 -9.086 -9.367 156 HA ALA 22 HA ALA 22 -21.537 -10.057 -12.021 157 1HB ALA 22 3HB ALA 22 -23.587 -8.439 -10.679 158 2HB ALA 22 1HB ALA 22 -23.304 -7.959 -12.353 159 3HB ALA 22 2HB ALA 22 -23.762 -9.620 -11.976 160 H HIS 23 H HIS 23 -21.190 -6.823 -10.540 161 HA HIS 23 HA HIS 23 -20.111 -5.680 -12.991 162 1HB HIS 23 2HB HIS 23 -19.837 -4.562 -10.193 163 2HB HIS 23 1HB HIS 23 -19.771 -3.678 -11.716 164 HD2 HIS 23 HD2 HIS 23 -22.669 -5.985 -12.181 165 HE1 HIS 23 HE1 HIS 23 -24.332 -2.570 -10.325 166 HE2 HIS 23 HE2 HIS 23 -24.868 -4.718 -11.579 167 H ILE 24 H ILE 24 -18.796 -7.525 -10.375 168 HA ILE 24 HA ILE 24 -16.063 -6.524 -10.809 169 HB ILE 24 HB ILE 24 -17.020 -8.864 -9.167 170 1HG1 ILE 24 2HG1 ILE 24 -16.207 -6.082 -8.296 171 2HG1 ILE 24 1HG1 ILE 24 -17.873 -6.656 -8.379 172 1HG2 ILE 24 2HG2 ILE 24 -14.350 -7.513 -9.503 173 2HG2 ILE 24 3HG2 ILE 24 -14.735 -8.442 -8.058 174 3HG2 ILE 24 1HG2 ILE 24 -14.730 -9.230 -9.632 175 1HD1 ILE 24 2HD1 ILE 24 -16.264 -8.549 -6.909 176 2HD1 ILE 24 3HD1 ILE 24 -16.049 -6.935 -6.228 177 3HD1 ILE 24 1HD1 ILE 24 -17.664 -7.631 -6.357 178 H LYS 25 H LYS 25 -14.337 -8.018 -11.405 179 HA LYS 25 HA LYS 25 -15.273 -10.058 -13.372 180 1HB LYS 25 2HB LYS 25 -13.731 -7.731 -13.747 181 2HB LYS 25 1HB LYS 25 -12.613 -9.051 -13.852 182 1HG LYS 25 1HG LYS 25 -14.085 -10.156 -15.523 183 2HG LYS 25 2HG LYS 25 -15.191 -8.786 -15.417 184 1HD LYS 25 1HD LYS 25 -13.509 -7.276 -16.278 185 2HD LYS 25 2HD LYS 25 -12.274 -8.533 -16.200 186 1HE LYS 25 1HE LYS 25 -14.768 -8.683 -17.919 187 2HE LYS 25 2HE LYS 25 -13.178 -8.202 -18.509 188 1HZ LYS 25 2HZ LYS 25 -12.591 -10.482 -17.263 189 2HZ LYS 25 3HZ LYS 25 -14.170 -10.827 -17.785 190 3HZ LYS 25 1HZ LYS 25 -12.980 -10.387 -18.914 191 H GLU 26 H GLU 26 -13.050 -9.251 -10.779 192 HA GLU 26 HA GLU 26 -12.522 -12.017 -10.194 193 1HB GLU 26 2HB GLU 26 -9.878 -11.274 -10.547 194 2HB GLU 26 1HB GLU 26 -10.770 -12.319 -11.591 195 1HG GLU 26 1HG GLU 26 -11.139 -9.452 -12.149 196 2HG GLU 26 2HG GLU 26 -9.517 -10.032 -12.374 197 H TYR 27 H TYR 27 -10.056 -11.580 -8.815 198 HA TYR 27 HA TYR 27 -10.201 -9.197 -7.176 199 1HB TYR 27 2HB TYR 27 -10.759 -10.353 -5.072 200 2HB TYR 27 1HB TYR 27 -12.071 -10.511 -6.203 201 HD1 TYR 27 HD2 TYR 27 -9.300 -12.285 -4.528 202 HD2 TYR 27 HD1 TYR 27 -12.615 -12.651 -7.270 203 HE1 TYR 27 HE2 TYR 27 -9.151 -14.768 -4.376 204 HE2 TYR 27 HE1 TYR 27 -12.469 -15.135 -7.115 205 HH TYR 27 HH TYR 27 -9.872 -16.764 -6.001 206 H PHE 28 H PHE 28 -8.216 -8.953 -6.187 207 HA PHE 28 HA PHE 28 -6.402 -11.289 -6.374 208 1HB PHE 28 1HB PHE 28 -5.652 -9.928 -8.150 209 2HB PHE 28 2HB PHE 28 -5.966 -8.440 -7.261 210 HD1 PHE 28 HD1 PHE 28 -4.438 -7.664 -5.499 211 HD2 PHE 28 HD2 PHE 28 -3.590 -11.217 -7.794 212 HE1 PHE 28 HE1 PHE 28 -2.159 -7.728 -4.533 213 HE2 PHE 28 HE2 PHE 28 -1.272 -11.255 -6.871 214 HZ PHE 28 HZ PHE 28 -0.550 -9.510 -5.241 215 H TYR 29 H TYR 29 -6.140 -11.846 -4.246 216 HA TYR 29 HA TYR 29 -6.304 -9.955 -2.094 217 1HB TYR 29 1HB TYR 29 -6.702 -12.306 -1.638 218 2HB TYR 29 2HB TYR 29 -5.144 -12.759 -2.314 219 HD1 TYR 29 HD2 TYR 29 -3.040 -12.327 -1.087 220 HD2 TYR 29 HD1 TYR 29 -6.904 -11.467 0.632 221 HE1 TYR 29 HE2 TYR 29 -2.005 -12.208 1.178 222 HE2 TYR 29 HE1 TYR 29 -5.877 -11.378 2.900 223 HH TYR 29 HH TYR 29 -3.916 -11.287 4.036 224 H THR 30 H THR 30 -4.790 -8.730 -1.192 225 HA THR 30 HA THR 30 -2.556 -7.749 -2.462 226 HB THR 30 HB THR 30 -1.679 -7.180 -0.147 227 HG1 THR 30 HG1 THR 30 -2.373 -8.487 1.327 228 1HG2 THR 30 1HG2 THR 30 -3.549 -5.975 -1.539 229 2HG2 THR 30 2HG2 THR 30 -4.630 -6.620 -0.304 230 3HG2 THR 30 3HG2 THR 30 -3.317 -5.534 0.152 231 H SER 31 H SER 31 -0.193 -8.009 -1.896 232 HA SER 31 HA SER 31 0.720 -10.632 -2.445 233 1HB SER 31 1HB SER 31 2.152 -8.698 -2.821 234 2HB SER 31 2HB SER 31 2.156 -8.325 -1.098 235 HG SER 31 HG SER 31 4.013 -9.525 -1.899 236 H GLY 32 H GLY 32 -0.127 -9.094 0.575 237 1HA GLY 32 2HA GLY 32 -0.697 -10.384 2.537 238 2HA GLY 32 1HA GLY 32 0.308 -11.684 1.946 239 H LYS 33 H LYS 33 1.102 -8.226 2.312 240 HA LYS 33 HA LYS 33 2.584 -8.449 4.722 241 1HB LYS 33 2HB LYS 33 4.912 -8.445 3.738 242 2HB LYS 33 1HB LYS 33 4.061 -9.982 3.580 243 1HG LYS 33 1HG LYS 33 3.367 -9.309 1.275 244 2HG LYS 33 2HG LYS 33 4.342 -7.848 1.442 245 1HD LYS 33 1HD LYS 33 5.518 -10.596 1.857 246 2HD LYS 33 2HD LYS 33 5.444 -9.863 0.273 247 1HE LYS 33 1HE LYS 33 6.452 -7.921 2.126 248 2HE LYS 33 2HE LYS 33 7.378 -9.411 2.307 249 1HZ LYS 33 1HZ LYS 33 6.788 -8.286 -0.359 250 2HZ LYS 33 2HZ LYS 33 8.125 -7.754 0.544 251 3HZ LYS 33 3HZ LYS 33 8.006 -9.384 0.086 252 H CYS 34 H CYS 34 1.123 -6.402 4.267 253 HA CYS 34 HA CYS 34 2.989 -4.194 3.817 254 1HB CYS 34 2HB CYS 34 1.540 -3.103 2.090 255 2HB CYS 34 1HB CYS 34 2.333 -4.570 1.517 256 H SER 35 H SER 35 1.177 -5.318 5.916 257 HA SER 35 HA SER 35 -0.273 -4.510 7.567 258 1HB SER 35 1HB SER 35 0.239 -1.705 6.659 259 2HB SER 35 2HB SER 35 0.198 -2.364 8.295 260 HG SER 35 HG SER 35 2.276 -2.179 6.515 261 H ASN 36 H ASN 36 -1.467 -5.085 4.960 262 HA ASN 36 HA ASN 36 -4.014 -3.800 5.381 263 1HB ASN 36 1HB ASN 36 -2.119 -2.544 3.518 264 2HB ASN 36 2HB ASN 36 -3.694 -2.880 2.802 265 1HD2 ASN 36 2HD2 ASN 36 -3.306 0.399 4.554 266 2HD2 ASN 36 1HD2 ASN 36 -2.112 -0.651 5.150 267 HA PRO 37 HA PRO 37 -3.689 -7.744 2.796 268 1HB PRO 37 1HB PRO 37 -5.231 -9.134 4.775 269 2HB PRO 37 2HB PRO 37 -3.535 -9.405 4.357 270 1HG PRO 37 2HG PRO 37 -4.614 -8.173 6.753 271 2HG PRO 37 1HG PRO 37 -2.924 -8.521 6.370 272 1HD PRO 37 1HD PRO 37 -4.220 -5.956 6.402 273 2HD PRO 37 2HD PRO 37 -2.549 -6.314 5.995 274 H ALA 38 H ALA 38 -5.519 -8.488 1.567 275 HA ALA 38 HA ALA 38 -8.250 -8.156 2.298 276 1HB ALA 38 3HB ALA 38 -7.540 -5.704 2.170 277 2HB ALA 38 1HB ALA 38 -7.291 -5.956 0.444 278 3HB ALA 38 2HB ALA 38 -8.899 -6.147 1.143 279 H VAL 39 H VAL 39 -9.317 -7.451 -0.231 280 HA VAL 39 HA VAL 39 -8.057 -9.301 -2.174 281 HB VAL 39 HB VAL 39 -10.452 -10.055 -2.751 282 1HG1 VAL 39 3HG1 VAL 39 -8.744 -10.920 -0.494 283 2HG1 VAL 39 1HG1 VAL 39 -10.380 -11.580 -0.528 284 3HG1 VAL 39 2HG1 VAL 39 -9.302 -11.822 -1.904 285 1HG2 VAL 39 3HG2 VAL 39 -10.864 -8.840 -0.016 286 2HG2 VAL 39 1HG2 VAL 39 -11.768 -8.524 -1.498 287 3HG2 VAL 39 2HG2 VAL 39 -11.942 -10.073 -0.672 288 H VAL 40 H VAL 40 -7.873 -8.087 -3.982 289 HA VAL 40 HA VAL 40 -9.673 -5.758 -4.068 290 HB VAL 40 HB VAL 40 -7.800 -4.737 -4.152 291 1HG1 VAL 40 1HG2 VAL 40 -6.513 -6.738 -3.652 292 2HG1 VAL 40 2HG2 VAL 40 -6.211 -6.886 -5.383 293 3HG1 VAL 40 3HG2 VAL 40 -5.660 -5.459 -4.508 294 1HG2 VAL 40 2HG1 VAL 40 -8.734 -4.691 -6.557 295 2HG2 VAL 40 3HG1 VAL 40 -7.209 -3.914 -6.157 296 3HG2 VAL 40 1HG1 VAL 40 -7.212 -5.497 -6.926 297 H PHE 41 H PHE 41 -11.413 -6.275 -5.010 298 HA PHE 41 HA PHE 41 -11.742 -8.048 -7.169 299 1HB PHE 41 1HB PHE 41 -13.397 -5.686 -6.255 300 2HB PHE 41 2HB PHE 41 -13.921 -6.781 -7.507 301 HD1 PHE 41 HD1 PHE 41 -13.602 -9.410 -6.803 302 HD2 PHE 41 HD2 PHE 41 -14.198 -6.092 -4.108 303 HE1 PHE 41 HE1 PHE 41 -14.560 -10.963 -5.105 304 HE2 PHE 41 HE2 PHE 41 -15.139 -7.646 -2.404 305 HZ PHE 41 HZ PHE 41 -15.343 -10.076 -2.911 306 H VAL 42 H VAL 42 -10.965 -7.929 -9.035 307 HA VAL 42 HA VAL 42 -10.280 -5.330 -10.276 308 HB VAL 42 HB VAL 42 -9.830 -7.333 -12.165 309 1HG1 VAL 42 1HG2 VAL 42 -8.144 -5.926 -10.115 310 2HG1 VAL 42 2HG2 VAL 42 -7.416 -6.993 -11.318 311 3HG1 VAL 42 3HG2 VAL 42 -8.300 -5.558 -11.835 312 1HG2 VAL 42 3HG1 VAL 42 -10.185 -9.053 -10.365 313 2HG2 VAL 42 1HG1 VAL 42 -8.556 -9.069 -11.037 314 3HG2 VAL 42 2HG1 VAL 42 -8.860 -8.318 -9.472 315 H THR 43 H THR 43 -12.449 -4.546 -10.576 316 HA THR 43 HA THR 43 -14.559 -6.175 -11.696 317 HB THR 43 HB THR 43 -15.949 -4.294 -11.488 318 HG1 THR 43 HG1 THR 43 -15.284 -2.448 -12.185 319 1HG2 THR 43 1HG2 THR 43 -14.727 -5.086 -9.349 320 2HG2 THR 43 2HG2 THR 43 -13.787 -3.602 -9.498 321 3HG2 THR 43 3HG2 THR 43 -15.536 -3.521 -9.291 322 H ARG 44 H ARG 44 -15.877 -4.537 -13.455 323 HA ARG 44 HA ARG 44 -15.007 -5.419 -15.927 324 1HB ARG 44 2HB ARG 44 -16.264 -3.336 -16.858 325 2HB ARG 44 1HB ARG 44 -17.176 -4.523 -15.930 326 1HG ARG 44 1HG ARG 44 -16.135 -2.701 -14.033 327 2HG ARG 44 2HG ARG 44 -16.746 -1.724 -15.363 328 1HD ARG 44 1HD ARG 44 -18.888 -3.013 -15.262 329 2HD ARG 44 2HD ARG 44 -18.271 -3.857 -13.841 330 HE ARG 44 HE ARG 44 -18.286 -1.691 -12.650 331 1HH1 ARG 44 1HH1 ARG 44 -19.158 -0.458 -15.868 332 2HH1 ARG 44 2HH1 ARG 44 -19.171 0.846 -14.730 333 1HH2 ARG 44 2HH2 ARG 44 -21.339 -1.772 -13.490 334 2HH2 ARG 44 1HH2 ARG 44 -21.107 -0.127 -12.998 335 H LYS 45 H LYS 45 -14.500 -2.030 -14.811 336 HA LYS 45 HA LYS 45 -12.539 -1.429 -16.817 337 1HB LYS 45 2HB LYS 45 -13.202 -0.287 -14.112 338 2HB LYS 45 1HB LYS 45 -11.726 0.224 -14.930 339 1HG LYS 45 1HG LYS 45 -13.003 0.943 -16.878 340 2HG LYS 45 2HG LYS 45 -14.493 0.321 -16.167 341 1HD LYS 45 1HD LYS 45 -13.962 1.902 -14.182 342 2HD LYS 45 2HD LYS 45 -12.838 2.687 -15.292 343 1HE LYS 45 1HE LYS 45 -15.488 2.175 -16.463 344 2HE LYS 45 2HE LYS 45 -15.524 3.278 -15.087 345 1HZ LYS 45 3HZ LYS 45 -13.489 3.628 -17.180 346 2HZ LYS 45 1HZ LYS 45 -15.069 4.190 -17.448 347 3HZ LYS 45 2HZ LYS 45 -14.167 4.782 -16.136 348 H ASN 46 H ASN 46 -12.527 -3.107 -13.790 349 HA ASN 46 HA ASN 46 -11.022 -4.586 -12.859 350 1HB ASN 46 2HB ASN 46 -10.239 -4.433 -15.607 351 2HB ASN 46 1HB ASN 46 -8.783 -4.381 -14.648 352 1HD2 ASN 46 1HD2 ASN 46 -9.064 -7.905 -14.823 353 2HD2 ASN 46 2HD2 ASN 46 -8.014 -6.576 -14.709 354 H ARG 47 H ARG 47 -10.880 -1.529 -12.675 355 HA ARG 47 HA ARG 47 -8.153 -0.857 -12.057 356 1HB ARG 47 2HB ARG 47 -10.830 0.089 -11.057 357 2HB ARG 47 1HB ARG 47 -9.371 0.597 -10.227 358 1HG ARG 47 1HG ARG 47 -8.513 1.661 -12.196 359 2HG ARG 47 2HG ARG 47 -9.740 0.907 -13.216 360 1HD ARG 47 1HD ARG 47 -11.397 2.158 -11.559 361 2HD ARG 47 2HD ARG 47 -10.002 3.209 -11.316 362 HE ARG 47 HE ARG 47 -10.269 2.954 -14.092 363 1HH1 ARG 47 1HH2 ARG 47 -13.107 2.997 -12.489 364 2HH1 ARG 47 2HH2 ARG 47 -13.499 4.672 -12.692 365 1HH2 ARG 47 2HH1 ARG 47 -10.496 5.613 -13.950 366 2HH2 ARG 47 1HH1 ARG 47 -12.174 5.784 -14.343 367 H GLN 48 H GLN 48 -6.981 -1.481 -10.159 368 HA GLN 48 HA GLN 48 -8.035 -3.831 -8.929 369 1HB GLN 48 1HB GLN 48 -5.512 -2.326 -8.790 370 2HB GLN 48 2HB GLN 48 -5.932 -3.214 -7.323 371 1HG GLN 48 1HG GLN 48 -6.278 -5.256 -8.620 372 2HG GLN 48 2HG GLN 48 -5.999 -4.387 -10.121 373 1HE2 GLN 48 2HE2 GLN 48 -2.825 -5.405 -10.161 374 2HE2 GLN 48 1HE2 GLN 48 -3.551 -3.952 -10.654 375 H VAL 49 H VAL 49 -9.872 -3.438 -7.952 376 HA VAL 49 HA VAL 49 -10.115 -1.235 -6.014 377 HB VAL 49 HB VAL 49 -12.391 -3.016 -6.475 378 1HG1 VAL 49 1HG1 VAL 49 -11.894 -0.043 -6.461 379 2HG1 VAL 49 2HG1 VAL 49 -13.477 -0.743 -6.804 380 3HG1 VAL 49 3HG1 VAL 49 -12.719 -1.003 -5.233 381 1HG2 VAL 49 1HG2 VAL 49 -11.235 -1.342 -8.721 382 2HG2 VAL 49 2HG2 VAL 49 -11.557 -3.068 -8.773 383 3HG2 VAL 49 3HG2 VAL 49 -12.893 -1.928 -8.711 384 H CYS 50 H CYS 50 -9.558 -1.729 -3.957 385 HA CYS 50 HA CYS 50 -9.394 -4.355 -2.901 386 1HB CYS 50 2HB CYS 50 -8.362 -2.028 -2.133 387 2HB CYS 50 1HB CYS 50 -9.814 -1.981 -1.131 388 H ALA 51 H ALA 51 -10.717 -5.085 -0.974 389 HA ALA 51 HA ALA 51 -13.337 -3.807 -0.700 390 1HB ALA 51 2HB ALA 51 -12.946 -6.428 -2.087 391 2HB ALA 51 3HB ALA 51 -14.370 -6.225 -1.067 392 3HB ALA 51 1HB ALA 51 -14.102 -5.141 -2.430 393 H ASN 52 H ASN 52 -10.837 -4.936 0.868 394 HA ASN 52 HA ASN 52 -10.571 -5.494 3.122 395 1HB ASN 52 1HB ASN 52 -12.727 -4.160 3.355 396 2HB ASN 52 2HB ASN 52 -13.576 -5.704 3.273 397 1HD2 ASN 52 2HD2 ASN 52 -11.404 -4.686 6.592 398 2HD2 ASN 52 1HD2 ASN 52 -10.689 -4.396 5.080 399 HA PRO 53 HA PRO 53 -10.806 -9.916 2.566 400 1HB PRO 53 1HB PRO 53 -9.455 -10.503 4.967 401 2HB PRO 53 2HB PRO 53 -8.697 -10.258 3.388 402 1HG PRO 53 1HG PRO 53 -8.665 -8.499 5.732 403 2HG PRO 53 2HG PRO 53 -7.698 -8.399 4.258 404 1HD PRO 53 1HD PRO 53 -9.951 -6.767 4.990 405 2HD PRO 53 2HD PRO 53 -9.019 -6.707 3.483 406 H GLU 54 H GLU 54 -11.532 -8.407 5.721 407 HA GLU 54 HA GLU 54 -13.285 -10.724 6.368 408 1HB GLU 54 1HB GLU 54 -11.427 -9.430 7.907 409 2HB GLU 54 2HB GLU 54 -12.919 -8.636 8.412 410 1HG GLU 54 1HG GLU 54 -13.714 -10.513 9.426 411 2HG GLU 54 2HG GLU 54 -13.126 -11.568 8.141 412 H LYS 55 H LYS 55 -14.261 -8.778 4.446 413 HA LYS 55 HA LYS 55 -16.240 -7.222 6.022 414 1HB LYS 55 2HB LYS 55 -15.040 -6.937 3.399 415 2HB LYS 55 1HB LYS 55 -16.799 -6.889 3.292 416 1HG LYS 55 1HG LYS 55 -16.790 -5.204 5.165 417 2HG LYS 55 2HG LYS 55 -15.031 -5.165 5.051 418 1HD LYS 55 1HD LYS 55 -15.141 -4.382 2.758 419 2HD LYS 55 2HD LYS 55 -16.892 -4.586 2.729 420 1HE LYS 55 1HE LYS 55 -16.196 -2.959 4.987 421 2HE LYS 55 2HE LYS 55 -15.415 -2.295 3.552 422 1HZ LYS 55 3HZ LYS 55 -17.562 -2.376 2.415 423 2HZ LYS 55 1HZ LYS 55 -18.298 -2.947 3.835 424 3HZ LYS 55 2HZ LYS 55 -17.621 -1.390 3.796 425 H LYS 56 H LYS 56 -16.131 -10.283 5.523 426 HA LYS 56 HA LYS 56 -17.711 -11.984 5.301 427 1HB LYS 56 1HB LYS 56 -19.322 -9.558 5.879 428 2HB LYS 56 2HB LYS 56 -20.196 -10.930 5.200 429 1HG LYS 56 1HG LYS 56 -19.766 -12.284 7.030 430 2HG LYS 56 2HG LYS 56 -18.266 -11.447 7.429 431 1HD LYS 56 1HD LYS 56 -19.720 -9.429 8.032 432 2HD LYS 56 2HD LYS 56 -21.101 -10.521 7.938 433 1HE LYS 56 1HE LYS 56 -20.635 -11.385 9.966 434 2HE LYS 56 2HE LYS 56 -18.965 -11.709 9.497 435 1HZ LYS 56 3HZ LYS 56 -19.622 -8.925 9.975 436 2HZ LYS 56 1HZ LYS 56 -19.659 -9.926 11.346 437 3HZ LYS 56 2HZ LYS 56 -18.241 -9.809 10.418 438 H TRP 57 H TRP 57 -19.765 -9.698 3.574 439 HA TRP 57 HA TRP 57 -20.357 -11.283 1.390 440 1HB TRP 57 1HB TRP 57 -20.897 -9.214 0.191 441 2HB TRP 57 2HB TRP 57 -21.430 -9.110 1.874 442 HD1 TRP 57 HD1 TRP 57 -20.428 -7.135 3.248 443 HE1 TRP 57 HE1 TRP 57 -18.704 -5.293 2.696 444 HE3 TRP 57 HE3 TRP 57 -18.762 -8.898 -1.184 445 HZ2 TRP 57 HZ2 TRP 57 -16.776 -4.704 0.612 446 HZ3 TRP 57 HZ3 TRP 57 -17.089 -7.682 -2.502 447 HH2 TRP 57 HH2 TRP 57 -16.111 -5.562 -1.635 448 H VAL 58 H VAL 58 -17.341 -9.581 1.912 449 HA VAL 58 HA VAL 58 -16.386 -9.543 -0.764 450 HB VAL 58 HB VAL 58 -14.072 -10.004 0.453 451 1HG1 VAL 58 3HG1 VAL 58 -15.297 -7.858 -0.488 452 2HG1 VAL 58 1HG1 VAL 58 -15.350 -7.439 1.223 453 3HG1 VAL 58 2HG1 VAL 58 -13.804 -7.743 0.428 454 1HG2 VAL 58 2HG2 VAL 58 -15.736 -10.436 2.573 455 2HG2 VAL 58 3HG2 VAL 58 -14.040 -9.968 2.701 456 3HG2 VAL 58 1HG2 VAL 58 -15.303 -8.742 2.781 457 H ARG 59 H ARG 59 -15.898 -12.108 1.693 458 HA ARG 59 HA ARG 59 -14.609 -13.904 -0.124 459 1HB ARG 59 2HB ARG 59 -16.165 -14.465 2.414 460 2HB ARG 59 1HB ARG 59 -15.180 -15.642 1.579 461 1HG ARG 59 1HG ARG 59 -13.187 -14.301 1.930 462 2HG ARG 59 2HG ARG 59 -14.134 -12.998 2.606 463 1HD ARG 59 1HD ARG 59 -14.922 -15.087 4.184 464 2HD ARG 59 2HD ARG 59 -13.242 -15.517 3.856 465 HE ARG 59 HE ARG 59 -14.041 -12.882 5.033 466 1HH1 ARG 59 2HH1 ARG 59 -11.146 -14.339 4.032 467 2HH1 ARG 59 1HH1 ARG 59 -10.915 -15.218 5.507 468 1HH2 ARG 59 2HH2 ARG 59 -13.028 -13.365 7.359 469 2HH2 ARG 59 1HH2 ARG 59 -11.366 -13.008 7.027 470 H GLU 60 H GLU 60 -17.976 -13.242 0.621 471 HA GLU 60 HA GLU 60 -19.131 -15.561 -0.582 472 1HB GLU 60 2HB GLU 60 -20.061 -12.841 0.151 473 2HB GLU 60 1HB GLU 60 -20.996 -13.655 -1.081 474 1HG GLU 60 2HG GLU 60 -20.357 -15.490 1.054 475 2HG GLU 60 1HG GLU 60 -21.139 -14.069 1.699 476 H TYR 61 H TYR 61 -17.681 -12.695 -1.920 477 HA TYR 61 HA TYR 61 -18.734 -13.298 -4.622 478 1HB TYR 61 1HB TYR 61 -16.892 -11.069 -3.701 479 2HB TYR 61 2HB TYR 61 -17.632 -11.206 -5.293 480 HD1 TYR 61 HD1 TYR 61 -20.185 -12.473 -3.405 481 HD2 TYR 61 HD2 TYR 61 -18.095 -8.728 -3.956 482 HE1 TYR 61 HE1 TYR 61 -22.181 -11.236 -2.581 483 HE2 TYR 61 HE2 TYR 61 -20.093 -7.498 -3.113 484 HH TYR 61 HH TYR 61 -22.493 -7.825 -2.885 485 H ILE 62 H ILE 62 -15.774 -13.512 -2.722 486 HA ILE 62 HA ILE 62 -13.949 -13.946 -4.873 487 HB ILE 62 HB ILE 62 -13.999 -14.542 -1.943 488 1HG1 ILE 62 2HG1 ILE 62 -11.753 -13.383 -2.187 489 2HG1 ILE 62 1HG1 ILE 62 -12.134 -13.156 -3.875 490 1HG2 ILE 62 2HG2 ILE 62 -12.316 -16.028 -3.934 491 2HG2 ILE 62 3HG2 ILE 62 -11.586 -15.544 -2.403 492 3HG2 ILE 62 1HG2 ILE 62 -13.005 -16.591 -2.412 493 1HD1 ILE 62 1HD1 ILE 62 -14.312 -12.066 -3.088 494 2HD1 ILE 62 2HD1 ILE 62 -13.594 -12.047 -1.478 495 3HD1 ILE 62 3HD1 ILE 62 -12.834 -11.152 -2.794 496 H ASN 63 H ASN 63 -15.669 -16.355 -2.842 497 HA ASN 63 HA ASN 63 -14.903 -18.600 -4.455 498 1HB ASN 63 1HB ASN 63 -17.377 -18.329 -2.731 499 2HB ASN 63 2HB ASN 63 -16.616 -19.819 -3.233 500 1HD2 ASN 63 1HD2 ASN 63 -16.023 -18.584 0.162 501 2HD2 ASN 63 2HD2 ASN 63 -16.156 -20.138 -0.506 502 H SER 64 H SER 64 -17.797 -16.523 -4.457 503 HA SER 64 HA SER 64 -19.261 -17.923 -6.449 504 1HB SER 64 1HB SER 64 -19.185 -15.038 -5.580 505 2HB SER 64 2HB SER 64 -20.203 -15.547 -6.928 506 HG SER 64 HG SER 64 -21.427 -16.697 -5.610 507 H LEU 65 H LEU 65 -16.426 -15.934 -6.691 508 HA LEU 65 HA LEU 65 -16.753 -15.448 -9.569 509 1HB LEU 65 2HB LEU 65 -14.608 -14.852 -7.538 510 2HB LEU 65 1HB LEU 65 -14.280 -14.680 -9.262 511 HG LEU 65 HG LEU 65 -16.791 -13.458 -8.200 512 1HD1 LEU 65 3HD1 LEU 65 -14.652 -12.945 -6.710 513 2HD1 LEU 65 1HD1 LEU 65 -14.259 -11.864 -8.047 514 3HD1 LEU 65 2HD1 LEU 65 -15.768 -11.654 -7.158 515 1HD2 LEU 65 2HD2 LEU 65 -15.297 -13.446 -10.599 516 2HD2 LEU 65 3HD2 LEU 65 -16.731 -12.487 -10.232 517 3HD2 LEU 65 1HD2 LEU 65 -15.125 -11.832 -9.912 518 H GLU 66 H GLU 66 -15.705 -16.589 -11.206 519 HA GLU 66 HA GLU 66 -14.462 -19.160 -10.361 520 1HB GLU 66 1HB GLU 66 -16.234 -18.373 -12.501 521 2HB GLU 66 2HB GLU 66 -14.771 -19.091 -13.171 522 1HG GLU 66 1HG GLU 66 -15.048 -21.057 -11.730 523 2HG GLU 66 2HG GLU 66 -16.476 -20.333 -10.991 524 H MET 67 H MET 67 -12.294 -19.433 -10.602 525 HA MET 67 HA MET 67 -10.555 -17.333 -11.385 526 1HB MET 67 1HB MET 67 -10.029 -19.482 -10.044 527 2HB MET 67 2HB MET 67 -9.820 -20.253 -11.617 528 1HG MET 67 1HG MET 67 -7.648 -19.480 -10.939 529 2HG MET 67 2HG MET 67 -8.206 -18.374 -12.194 530 1HE MET 67 1HE MET 67 -6.141 -17.544 -11.210 531 2HE MET 67 3HE MET 67 -6.377 -15.908 -10.597 532 3HE MET 67 2HE MET 67 -5.887 -17.199 -9.499 533 H SER 68 H SER 68 -10.896 -16.465 -13.423 534 HA SER 68 HA SER 68 -11.228 -18.246 -15.745 535 1HB SER 68 1HB SER 68 -11.657 -15.413 -15.147 536 2HB SER 68 2HB SER 68 -10.884 -15.665 -16.712 537 HG SER 68 HG SER 68 -12.638 -16.558 -17.447 538 H SER 1 H SER 1 -6.881 11.552 -9.986 539 HA SER 1 HA SER 1 -8.256 9.076 -10.640 540 1HB SER 1 1HB SER 1 -5.260 9.029 -10.175 541 2HB SER 1 2HB SER 1 -6.292 7.601 -10.110 542 HG SER 1 HG SER 1 -6.142 7.529 -12.182 543 HA PRO 2 HA PRO 2 -8.448 10.547 -6.257 544 1HB PRO 2 1HB PRO 2 -11.074 9.330 -6.193 545 2HB PRO 2 2HB PRO 2 -10.664 11.047 -6.088 546 1HG PRO 2 1HG PRO 2 -11.854 9.655 -8.313 547 2HG PRO 2 2HG PRO 2 -11.414 11.364 -8.221 548 1HD PRO 2 1HD PRO 2 -10.109 9.280 -9.729 549 2HD PRO 2 2HD PRO 2 -9.667 10.996 -9.636 550 H TYR 3 H TYR 3 -7.399 9.155 -4.900 551 HA TYR 3 HA TYR 3 -7.697 6.245 -5.268 552 1HB TYR 3 1HB TYR 3 -5.950 7.903 -3.427 553 2HB TYR 3 2HB TYR 3 -5.923 6.141 -3.492 554 HD1 TYR 3 HD1 TYR 3 -6.063 5.383 -6.228 555 HD2 TYR 3 HD2 TYR 3 -4.098 8.827 -4.518 556 HE1 TYR 3 HE1 TYR 3 -4.527 5.480 -8.189 557 HE2 TYR 3 HE2 TYR 3 -2.561 8.923 -6.480 558 HH TYR 3 HH TYR 3 -3.126 7.209 -9.348 559 H SER 4 H SER 4 -9.475 5.365 -4.318 560 HA SER 4 HA SER 4 -10.124 6.239 -1.529 561 1HB SER 4 1HB SER 4 -11.841 5.744 -3.900 562 2HB SER 4 2HB SER 4 -12.441 5.102 -2.370 563 HG SER 4 HG SER 4 -12.974 7.369 -2.954 564 H SER 5 H SER 5 -11.216 3.490 -3.510 565 HA SER 5 HA SER 5 -9.938 1.668 -1.512 566 1HB SER 5 1HB SER 5 -11.983 0.146 -2.163 567 2HB SER 5 2HB SER 5 -12.197 1.419 -0.962 568 HG SER 5 HG SER 5 -12.798 1.564 -3.728 569 H ASP 6 H ASP 6 -8.175 1.544 -3.098 570 HA ASP 6 HA ASP 6 -8.693 -0.534 -5.126 571 1HB ASP 6 2HB ASP 6 -7.790 0.763 -6.979 572 2HB ASP 6 1HB ASP 6 -9.145 1.644 -6.279 573 H THR 7 H THR 7 -6.172 -0.105 -6.467 574 HA THR 7 HA THR 7 -4.495 -1.392 -4.478 575 HB THR 7 HB THR 7 -4.368 -2.213 -6.744 576 HG1 THR 7 HG1 THR 7 -2.329 -2.444 -6.412 577 1HG2 THR 7 3HG2 THR 7 -3.902 0.697 -7.378 578 2HG2 THR 7 1HG2 THR 7 -3.378 -0.564 -8.494 579 3HG2 THR 7 2HG2 THR 7 -5.085 -0.408 -8.079 580 H THR 8 H THR 8 -2.096 -0.600 -4.388 581 HA THR 8 HA THR 8 -1.842 2.342 -4.515 582 HB THR 8 HB THR 8 -1.185 0.910 -1.936 583 HG1 THR 8 HG1 THR 8 -3.359 0.654 -2.127 584 1HG2 THR 8 3HG2 THR 8 -0.720 3.495 -2.958 585 2HG2 THR 8 1HG2 THR 8 -2.022 3.678 -1.783 586 3HG2 THR 8 2HG2 THR 8 -0.489 2.955 -1.296 587 HA PRO 9 HA PRO 9 1.948 0.362 -6.016 588 1HB PRO 9 1HB PRO 9 2.823 3.008 -6.784 589 2HB PRO 9 2HB PRO 9 2.306 1.684 -7.835 590 1HG PRO 9 1HG PRO 9 0.858 4.104 -7.191 591 2HG PRO 9 2HG PRO 9 0.344 2.790 -8.249 592 1HD PRO 9 1HD PRO 9 -0.661 3.442 -5.657 593 2HD PRO 9 2HD PRO 9 -1.139 2.090 -6.701 594 H CYS 10 H CYS 10 2.978 -0.102 -4.062 595 HA CYS 10 HA CYS 10 4.557 2.128 -2.868 596 1HB CYS 10 2HB CYS 10 2.559 0.375 -1.572 597 2HB CYS 10 1HB CYS 10 4.089 0.524 -0.709 598 H CYS 11 H CYS 11 6.141 0.996 -1.184 599 HA CYS 11 HA CYS 11 7.315 -1.321 -2.635 600 1HB CYS 11 1HB CYS 11 9.134 -0.064 -2.958 601 2HB CYS 11 2HB CYS 11 8.435 1.264 -2.056 602 H PHE 12 H PHE 12 8.544 -2.829 -1.165 603 HA PHE 12 HA PHE 12 7.287 -2.855 1.549 604 1HB PHE 12 1HB PHE 12 6.762 -4.806 0.096 605 2HB PHE 12 2HB PHE 12 8.469 -5.163 -0.015 606 HD1 PHE 12 HD1 PHE 12 5.559 -4.988 2.276 607 HD2 PHE 12 HD2 PHE 12 9.694 -6.151 1.838 608 HE1 PHE 12 HE1 PHE 12 5.445 -6.215 4.443 609 HE2 PHE 12 HE2 PHE 12 9.580 -7.375 4.007 610 HZ PHE 12 HZ PHE 12 7.455 -7.406 5.309 611 H ALA 13 H ALA 13 10.230 -4.332 0.155 612 HA ALA 13 HA ALA 13 11.712 -3.307 2.537 613 1HB ALA 13 3HB ALA 13 11.830 -5.814 0.963 614 2HB ALA 13 1HB ALA 13 13.391 -5.142 1.435 615 3HB ALA 13 2HB ALA 13 12.193 -5.540 2.666 616 H TYR 14 H TYR 14 13.750 -2.319 2.218 617 HA TYR 14 HA TYR 14 13.960 -1.048 -0.427 618 1HB TYR 14 2HB TYR 14 15.876 -0.422 1.786 619 2HB TYR 14 1HB TYR 14 15.189 0.649 0.570 620 HD1 TYR 14 HD1 TYR 14 12.728 1.310 0.737 621 HD2 TYR 14 HD2 TYR 14 14.840 -0.698 3.922 622 HE1 TYR 14 HE1 TYR 14 10.948 1.990 2.346 623 HE2 TYR 14 HE2 TYR 14 13.066 -0.012 5.533 624 HH TYR 14 HH TYR 14 10.875 2.372 4.959 625 H ILE 15 H ILE 15 15.829 -1.211 -1.741 626 HA ILE 15 HA ILE 15 17.195 -3.718 -1.706 627 HB ILE 15 HB ILE 15 16.935 -2.352 -3.752 628 1HG1 ILE 15 1HG1 ILE 15 19.701 -2.272 -4.033 629 2HG1 ILE 15 2HG1 ILE 15 19.448 -3.491 -2.784 630 1HG2 ILE 15 1HG2 ILE 15 17.871 -0.293 -2.079 631 2HG2 ILE 15 2HG2 ILE 15 19.152 -0.547 -3.265 632 3HG2 ILE 15 3HG2 ILE 15 17.514 -0.174 -3.802 633 1HD1 ILE 15 3HD1 ILE 15 17.663 -3.581 -5.175 634 2HD1 ILE 15 1HD1 ILE 15 19.335 -4.102 -5.389 635 3HD1 ILE 15 2HD1 ILE 15 18.305 -4.905 -4.203 636 H ALA 16 H ALA 16 19.082 -4.334 -0.712 637 HA ALA 16 HA ALA 16 20.276 -2.434 1.204 638 1HB ALA 16 1HB ALA 16 19.736 -4.912 1.677 639 2HB ALA 16 2HB ALA 16 21.170 -5.276 0.717 640 3HB ALA 16 3HB ALA 16 21.315 -4.321 2.193 641 H ARG 17 H ARG 17 20.946 -1.258 -0.980 642 HA ARG 17 HA ARG 17 23.751 -1.292 -1.178 643 1HB ARG 17 1HB ARG 17 22.587 -3.473 -2.571 644 2HB ARG 17 2HB ARG 17 23.143 -2.341 -3.779 645 1HG ARG 17 1HG ARG 17 25.025 -2.745 -1.549 646 2HG ARG 17 2HG ARG 17 24.746 -4.181 -2.534 647 1HD ARG 17 1HD ARG 17 25.044 -2.453 -4.530 648 2HD ARG 17 2HD ARG 17 25.945 -1.549 -3.312 649 HE ARG 17 HE ARG 17 27.093 -3.985 -3.066 650 1HH1 ARG 17 2HH2 ARG 17 25.857 -3.680 -6.262 651 2HH1 ARG 17 1HH2 ARG 17 27.200 -4.745 -6.505 652 1HH2 ARG 17 2HH1 ARG 17 28.966 -2.422 -4.377 653 2HH2 ARG 17 1HH1 ARG 17 29.104 -3.193 -5.922 654 HA PRO 18 HA PRO 18 22.197 2.487 -3.008 655 1HB PRO 18 2HB PRO 18 24.850 3.210 -3.833 656 2HB PRO 18 1HB PRO 18 23.931 3.864 -2.507 657 1HG PRO 18 2HG PRO 18 26.185 2.068 -2.371 658 2HG PRO 18 1HG PRO 18 25.282 2.779 -1.028 659 1HD PRO 18 2HD PRO 18 25.228 0.055 -1.894 660 2HD PRO 18 1HD PRO 18 24.253 0.787 -0.632 661 H LEU 19 H LEU 19 21.120 1.696 -4.833 662 HA LEU 19 HA LEU 19 22.279 0.382 -7.048 663 1HB LEU 19 1HB LEU 19 19.955 2.312 -7.133 664 2HB LEU 19 2HB LEU 19 20.284 1.040 -8.281 665 HG LEU 19 HG LEU 19 19.545 0.709 -5.368 666 1HD1 LEU 19 3HD1 LEU 19 17.775 1.242 -7.166 667 2HD1 LEU 19 1HD1 LEU 19 18.115 -0.370 -7.795 668 3HD1 LEU 19 2HD1 LEU 19 17.496 -0.177 -6.155 669 1HD2 LEU 19 1HD2 LEU 19 20.846 -1.108 -7.303 670 2HD2 LEU 19 2HD2 LEU 19 20.809 -1.185 -5.541 671 3HD2 LEU 19 3HD2 LEU 19 19.444 -1.792 -6.481 672 HA PRO 20 HA PRO 20 24.828 3.803 -8.467 673 1HB PRO 20 1HB PRO 20 25.113 2.435 -11.015 674 2HB PRO 20 2HB PRO 20 26.331 2.674 -9.756 675 1HG PRO 20 1HG PRO 20 24.965 0.236 -10.420 676 2HG PRO 20 2HG PRO 20 26.125 0.492 -9.113 677 1HD PRO 20 1HD PRO 20 23.275 0.095 -8.900 678 2HD PRO 20 2HD PRO 20 24.440 0.350 -7.586 679 H ARG 21 H ARG 21 23.892 5.637 -9.259 680 HA ARG 21 HA ARG 21 21.371 5.805 -10.467 681 1HB ARG 21 2HB ARG 21 22.818 7.699 -9.520 682 2HB ARG 21 1HB ARG 21 23.609 7.737 -11.096 683 1HG ARG 21 2HG ARG 21 20.625 7.756 -11.063 684 2HG ARG 21 1HG ARG 21 21.448 9.233 -10.561 685 1HD ARG 21 1HD ARG 21 22.732 8.185 -12.909 686 2HD ARG 21 2HD ARG 21 21.015 8.309 -13.208 687 HE ARG 21 HE ARG 21 22.324 10.675 -12.015 688 1HH1 ARG 21 2HH2 ARG 21 19.664 10.379 -14.306 689 2HH1 ARG 21 1HH2 ARG 21 20.820 9.648 -15.367 690 1HH2 ARG 21 1HH1 ARG 21 23.176 11.802 -14.407 691 2HH2 ARG 21 2HH1 ARG 21 21.658 12.635 -14.425 692 H ALA 22 H ALA 22 24.426 4.982 -11.926 693 HA ALA 22 HA ALA 22 23.723 5.575 -14.649 694 1HB ALA 22 3HB ALA 22 25.868 4.154 -13.235 695 2HB ALA 22 1HB ALA 22 25.477 3.444 -14.802 696 3HB ALA 22 2HB ALA 22 25.948 5.140 -14.695 697 H HIS 23 H HIS 23 23.494 2.580 -12.713 698 HA HIS 23 HA HIS 23 22.261 1.112 -14.905 699 1HB HIS 23 2HB HIS 23 22.180 0.392 -11.966 700 2HB HIS 23 1HB HIS 23 22.020 -0.693 -13.344 701 HD2 HIS 23 HD2 HIS 23 24.866 1.517 -14.314 702 HE1 HIS 23 HE1 HIS 23 26.668 -1.614 -12.118 703 HE2 HIS 23 HE2 HIS 23 27.108 0.337 -13.690 704 H ILE 24 H ILE 24 21.112 3.308 -12.491 705 HA ILE 24 HA ILE 24 18.380 2.240 -12.571 706 HB ILE 24 HB ILE 24 19.402 4.811 -11.376 707 1HG1 ILE 24 2HG1 ILE 24 18.756 2.155 -10.071 708 2HG1 ILE 24 1HG1 ILE 24 20.382 2.782 -10.338 709 1HG2 ILE 24 2HG2 ILE 24 16.745 3.405 -11.340 710 2HG2 ILE 24 3HG2 ILE 24 17.209 4.485 -10.029 711 3HG2 ILE 24 1HG2 ILE 24 17.087 5.102 -11.675 712 1HD1 ILE 24 2HD1 ILE 24 18.813 4.811 -9.043 713 2HD1 ILE 24 3HD1 ILE 24 18.642 3.302 -8.143 714 3HD1 ILE 24 1HD1 ILE 24 20.244 3.979 -8.435 715 H LYS 25 H LYS 25 16.568 3.674 -13.269 716 HA LYS 25 HA LYS 25 17.371 5.413 -15.567 717 1HB LYS 25 1HB LYS 25 15.661 3.119 -15.471 718 2HB LYS 25 2HB LYS 25 14.674 4.508 -15.821 719 1HG LYS 25 1HG LYS 25 16.178 5.147 -17.664 720 2HG LYS 25 2HG LYS 25 17.184 3.738 -17.325 721 1HD LYS 25 1HD LYS 25 15.441 2.228 -17.948 722 2HD LYS 25 2HD LYS 25 14.230 3.509 -17.938 723 1HE LYS 25 1HE LYS 25 16.594 3.418 -19.835 724 2HE LYS 25 2HE LYS 25 14.972 2.860 -20.247 725 1HZ LYS 25 2HZ LYS 25 14.448 5.283 -19.271 726 2HZ LYS 25 3HZ LYS 25 15.983 5.560 -19.946 727 3HZ LYS 25 1HZ LYS 25 14.720 4.971 -20.918 728 H GLU 26 H GLU 26 15.317 4.997 -12.753 729 HA GLU 26 HA GLU 26 14.830 7.835 -12.549 730 1HB GLU 26 1HB GLU 26 12.180 7.016 -12.601 731 2HB GLU 26 2HB GLU 26 12.964 7.910 -13.856 732 1HG GLU 26 2HG GLU 26 13.374 5.000 -14.015 733 2HG GLU 26 1HG GLU 26 11.720 5.504 -14.178 734 H TYR 27 H TYR 27 12.487 7.633 -10.939 735 HA TYR 27 HA TYR 27 12.774 5.507 -9.011 736 1HB TYR 27 1HB TYR 27 13.399 6.940 -7.106 737 2HB TYR 27 2HB TYR 27 14.665 6.915 -8.304 738 HD1 TYR 27 HD1 TYR 27 15.127 8.879 -9.726 739 HD2 TYR 27 HD2 TYR 27 12.004 8.923 -6.745 740 HE1 TYR 27 HE1 TYR 27 14.981 11.360 -9.917 741 HE2 TYR 27 HE2 TYR 27 11.856 11.403 -6.937 742 HH TYR 27 HH TYR 27 12.453 13.144 -8.862 743 H PHE 28 H PHE 28 10.840 5.389 -7.832 744 HA PHE 28 HA PHE 28 8.982 7.664 -8.247 745 1HB PHE 28 1HB PHE 28 8.141 6.038 -9.741 746 2HB PHE 28 2HB PHE 28 8.514 4.710 -8.647 747 HD1 PHE 28 HD1 PHE 28 7.084 4.212 -6.711 748 HD2 PHE 28 HD2 PHE 28 6.109 7.401 -9.450 749 HE1 PHE 28 HE1 PHE 28 4.862 4.450 -5.631 750 HE2 PHE 28 HE2 PHE 28 3.851 7.601 -8.408 751 HZ PHE 28 HZ PHE 28 3.224 6.123 -6.499 752 H TYR 29 H TYR 29 8.886 8.536 -6.203 753 HA TYR 29 HA TYR 29 9.190 7.030 -3.797 754 1HB TYR 29 1HB TYR 29 9.548 9.414 -3.749 755 2HB TYR 29 2HB TYR 29 7.925 9.721 -4.352 756 HD1 TYR 29 HD2 TYR 29 5.955 9.480 -2.910 757 HD2 TYR 29 HD1 TYR 29 9.945 8.812 -1.407 758 HE1 TYR 29 HE2 TYR 29 5.102 9.653 -0.576 759 HE2 TYR 29 HE1 TYR 29 9.098 9.009 0.930 760 HH TYR 29 HH TYR 29 7.243 9.113 2.221 761 H THR 30 H THR 30 7.753 5.903 -2.632 762 HA THR 30 HA THR 30 5.458 4.731 -3.624 763 HB THR 30 HB THR 30 4.727 4.487 -1.200 764 HG1 THR 30 HG1 THR 30 5.508 5.975 0.038 765 1HG2 THR 30 1HG2 THR 30 6.501 3.090 -2.529 766 2HG2 THR 30 2HG2 THR 30 7.663 3.894 -1.473 767 3HG2 THR 30 3HG2 THR 30 6.388 2.891 -0.780 768 H SER 31 H SER 31 3.126 5.063 -2.928 769 HA SER 31 HA SER 31 2.156 7.585 -3.779 770 1HB SER 31 1HB SER 31 0.715 5.621 -3.784 771 2HB SER 31 2HB SER 31 0.829 5.493 -2.028 772 HG SER 31 HG SER 31 -1.085 6.577 -2.865 773 H GLY 32 H GLY 32 3.210 6.481 -0.636 774 1HA GLY 32 1HA GLY 32 3.902 8.033 1.083 775 2HA GLY 32 2HA GLY 32 2.853 9.240 0.384 776 H LYS 33 H LYS 33 2.102 5.870 1.284 777 HA LYS 33 HA LYS 33 0.783 6.436 3.732 778 1HB LYS 33 2HB LYS 33 -1.603 6.306 2.917 779 2HB LYS 33 1HB LYS 33 -0.773 7.800 2.487 780 1HG LYS 33 1HG LYS 33 -0.231 6.805 0.259 781 2HG LYS 33 2HG LYS 33 -1.186 5.388 0.695 782 1HD LYS 33 2HD LYS 33 -2.343 8.172 0.795 783 2HD LYS 33 1HD LYS 33 -2.371 7.221 -0.670 784 1HE LYS 33 1HE LYS 33 -3.244 5.565 1.500 785 2HE LYS 33 2HE LYS 33 -4.163 7.071 1.533 786 1HZ LYS 33 1HZ LYS 33 -3.749 5.582 -0.983 787 2HZ LYS 33 2HZ LYS 33 -5.020 5.186 0.072 788 3HZ LYS 33 3HZ LYS 33 -4.940 6.737 -0.616 789 H CYS 34 H CYS 34 2.222 4.340 3.467 790 HA CYS 34 HA CYS 34 0.343 2.097 3.457 791 1HB CYS 34 2HB CYS 34 1.678 0.771 1.806 792 2HB CYS 34 1HB CYS 34 0.845 2.149 1.088 793 H SER 35 H SER 35 2.285 3.498 5.252 794 HA SER 35 HA SER 35 3.847 2.922 6.901 795 1HB SER 35 1HB SER 35 3.288 0.020 6.430 796 2HB SER 35 2HB SER 35 3.436 0.901 7.951 797 HG SER 35 HG SER 35 1.244 0.476 6.360 798 H ASN 36 H ASN 36 4.861 3.121 4.165 799 HA ASN 36 HA ASN 36 7.436 1.895 4.590 800 1HB ASN 36 1HB ASN 36 5.426 0.398 3.051 801 2HB ASN 36 2HB ASN 36 6.950 0.623 2.193 802 1HD2 ASN 36 2HD2 ASN 36 6.694 -2.375 4.409 803 2HD2 ASN 36 1HD2 ASN 36 5.538 -1.248 4.930 804 HA PRO 37 HA PRO 37 6.923 5.438 1.504 805 1HB PRO 37 1HB PRO 37 8.587 7.085 3.161 806 2HB PRO 37 2HB PRO 37 6.865 7.302 2.823 807 1HG PRO 37 2HG PRO 37 8.106 6.416 5.290 808 2HG PRO 37 1HG PRO 37 6.393 6.715 4.977 809 1HD PRO 37 2HD PRO 37 7.701 4.173 5.283 810 2HD PRO 37 1HD PRO 37 6.005 4.477 4.943 811 H ALA 38 H ALA 38 8.666 5.987 0.061 812 HA ALA 38 HA ALA 38 11.442 5.756 0.647 813 1HB ALA 38 3HB ALA 38 10.737 3.313 0.931 814 2HB ALA 38 1HB ALA 38 10.378 3.306 -0.793 815 3HB ALA 38 2HB ALA 38 12.026 3.594 -0.234 816 H VAL 39 H VAL 39 12.340 4.666 -1.821 817 HA VAL 39 HA VAL 39 10.933 6.244 -3.902 818 HB VAL 39 HB VAL 39 13.288 6.865 -4.771 819 1HG1 VAL 39 3HG1 VAL 39 11.739 8.061 -2.545 820 2HG1 VAL 39 1HG1 VAL 39 13.367 8.695 -2.783 821 3HG1 VAL 39 2HG1 VAL 39 12.197 8.753 -4.103 822 1HG2 VAL 39 3HG2 VAL 39 13.892 6.058 -1.922 823 2HG2 VAL 39 1HG2 VAL 39 14.697 5.528 -3.400 824 3HG2 VAL 39 2HG2 VAL 39 14.914 7.181 -2.820 825 H VAL 40 H VAL 40 10.602 4.910 -5.543 826 HA VAL 40 HA VAL 40 12.000 2.330 -5.499 827 HB VAL 40 HB VAL 40 9.778 3.226 -7.305 828 1HG1 VAL 40 2HG1 VAL 40 11.322 0.906 -7.198 829 2HG1 VAL 40 3HG1 VAL 40 9.768 0.471 -6.487 830 3HG1 VAL 40 1HG1 VAL 40 9.838 1.158 -8.106 831 1HG2 VAL 40 1HG2 VAL 40 9.701 2.989 -4.517 832 2HG2 VAL 40 2HG2 VAL 40 8.359 3.213 -5.633 833 3HG2 VAL 40 3HG2 VAL 40 8.862 1.587 -5.178 834 H PHE 41 H PHE 41 14.026 2.792 -6.472 835 HA PHE 41 HA PHE 41 14.285 4.302 -8.850 836 1HB PHE 41 2HB PHE 41 15.967 2.083 -7.669 837 2HB PHE 41 1HB PHE 41 16.438 2.901 -9.132 838 HD1 PHE 41 HD1 PHE 41 16.147 5.658 -8.874 839 HD2 PHE 41 HD2 PHE 41 16.975 2.822 -5.732 840 HE1 PHE 41 HE1 PHE 41 17.197 7.469 -7.515 841 HE2 PHE 41 HE2 PHE 41 18.003 4.631 -4.366 842 HZ PHE 41 HZ PHE 41 18.131 6.952 -5.261 843 H VAL 42 H VAL 42 13.388 3.948 -10.651 844 HA VAL 42 HA VAL 42 12.633 1.217 -11.507 845 HB VAL 42 HB VAL 42 12.089 2.990 -13.609 846 1HG1 VAL 42 1HG2 VAL 42 10.505 1.845 -11.319 847 2HG1 VAL 42 2HG2 VAL 42 9.721 2.729 -12.632 848 3HG1 VAL 42 3HG2 VAL 42 10.599 1.239 -12.977 849 1HG2 VAL 42 3HG1 VAL 42 12.515 4.904 -12.077 850 2HG2 VAL 42 1HG1 VAL 42 10.840 4.823 -12.615 851 3HG2 VAL 42 2HG1 VAL 42 11.277 4.276 -10.997 852 H THR 43 H THR 43 14.773 0.365 -11.848 853 HA THR 43 HA THR 43 16.808 1.811 -13.318 854 HB THR 43 HB THR 43 18.212 -0.031 -12.939 855 HG1 THR 43 HG1 THR 43 17.507 -1.952 -13.325 856 1HG2 THR 43 1HG2 THR 43 17.133 1.060 -10.856 857 2HG2 THR 43 2HG2 THR 43 16.187 -0.424 -10.733 858 3HG2 THR 43 3HG2 THR 43 17.948 -0.489 -10.634 859 H ARG 44 H ARG 44 18.007 -0.065 -14.914 860 HA ARG 44 HA ARG 44 16.969 0.464 -17.422 861 1HB ARG 44 2HB ARG 44 18.170 -1.736 -18.130 862 2HB ARG 44 1HB ARG 44 19.136 -0.434 -17.443 863 1HG ARG 44 1HG ARG 44 18.234 -1.964 -15.242 864 2HG ARG 44 2HG ARG 44 18.757 -3.124 -16.459 865 1HD ARG 44 1HD ARG 44 20.896 -1.842 -16.686 866 2HD ARG 44 2HD ARG 44 20.373 -0.805 -15.359 867 HE ARG 44 HE ARG 44 20.478 -2.784 -13.880 868 1HH1 ARG 44 1HH1 ARG 44 21.138 -4.457 -16.947 869 2HH1 ARG 44 2HH1 ARG 44 21.233 -5.591 -15.640 870 1HH2 ARG 44 2HH2 ARG 44 23.467 -2.834 -14.928 871 2HH2 ARG 44 1HH2 ARG 44 23.276 -4.393 -14.196 872 H LYS 45 H LYS 45 16.554 -2.734 -15.811 873 HA LYS 45 HA LYS 45 14.465 -3.600 -17.576 874 1HB LYS 45 2HB LYS 45 15.313 -4.354 -14.788 875 2HB LYS 45 1HB LYS 45 13.788 -4.968 -15.426 876 1HG LYS 45 1HG LYS 45 14.937 -5.959 -17.334 877 2HG LYS 45 2HG LYS 45 16.467 -5.250 -16.819 878 1HD LYS 45 1HD LYS 45 16.077 -6.535 -14.601 879 2HD LYS 45 2HD LYS 45 14.886 -7.463 -15.514 880 1HE LYS 45 1HE LYS 45 17.448 -7.132 -16.919 881 2HE LYS 45 2HE LYS 45 17.583 -8.031 -15.408 882 1HZ LYS 45 3HZ LYS 45 15.414 -8.662 -17.291 883 2HZ LYS 45 1HZ LYS 45 16.975 -9.264 -17.583 884 3HZ LYS 45 2HZ LYS 45 16.166 -9.663 -16.143 885 H ASN 46 H ASN 46 14.647 -1.511 -14.823 886 HA ASN 46 HA ASN 46 13.203 0.091 -14.012 887 1HB ASN 46 1HB ASN 46 12.237 -0.444 -16.651 888 2HB ASN 46 2HB ASN 46 10.849 -0.355 -15.599 889 1HD2 ASN 46 1HD2 ASN 46 11.097 3.109 -16.283 890 2HD2 ASN 46 2HD2 ASN 46 10.064 1.813 -15.913 891 H ARG 47 H ARG 47 13.080 -2.918 -13.400 892 HA ARG 47 HA ARG 47 10.406 -3.479 -12.504 893 1HB ARG 47 2HB ARG 47 13.151 -4.285 -11.564 894 2HB ARG 47 1HB ARG 47 11.752 -4.666 -10.575 895 1HG ARG 47 1HG ARG 47 10.773 -5.995 -12.315 896 2HG ARG 47 2HG ARG 47 11.927 -5.397 -13.508 897 1HD ARG 47 1HD ARG 47 13.695 -6.409 -11.804 898 2HD ARG 47 2HD ARG 47 12.324 -7.408 -11.324 899 HE ARG 47 HE ARG 47 12.405 -7.547 -14.121 900 1HH1 ARG 47 1HH2 ARG 47 15.343 -7.378 -12.721 901 2HH1 ARG 47 2HH2 ARG 47 15.729 -9.067 -12.712 902 1HH2 ARG 47 2HH1 ARG 47 12.652 -10.162 -13.623 903 2HH2 ARG 47 1HH1 ARG 47 14.301 -10.393 -14.100 904 H GLN 48 H GLN 48 9.366 -2.595 -10.626 905 HA GLN 48 HA GLN 48 10.497 -0.098 -9.813 906 1HB GLN 48 1HB GLN 48 7.994 -1.551 -9.254 907 2HB GLN 48 2HB GLN 48 8.528 -0.427 -7.998 908 1HG GLN 48 1HG GLN 48 8.742 1.364 -9.645 909 2HG GLN 48 2HG GLN 48 8.365 0.256 -10.954 910 1HE2 GLN 48 2HE2 GLN 48 5.198 1.305 -10.919 911 2HE2 GLN 48 1HE2 GLN 48 5.893 -0.206 -11.257 912 H VAL 49 H VAL 49 12.392 -0.395 -8.934 913 HA VAL 49 HA VAL 49 12.790 -2.324 -6.752 914 HB VAL 49 HB VAL 49 14.976 -0.549 -7.584 915 1HG1 VAL 49 1HG1 VAL 49 14.593 -3.498 -7.120 916 2HG1 VAL 49 2HG1 VAL 49 16.122 -2.809 -7.672 917 3HG1 VAL 49 3HG1 VAL 49 15.464 -2.345 -6.103 918 1HG2 VAL 49 1HG2 VAL 49 13.732 -2.551 -9.495 919 2HG2 VAL 49 2HG2 VAL 49 14.026 -0.847 -9.817 920 3HG2 VAL 49 3HG2 VAL 49 15.380 -1.960 -9.669 921 H CYS 50 H CYS 50 12.614 -1.653 -4.663 922 HA CYS 50 HA CYS 50 12.304 1.157 -4.042 923 1HB CYS 50 2HB CYS 50 11.309 -0.996 -2.875 924 2HB CYS 50 1HB CYS 50 12.812 -0.932 -1.957 925 H ALA 51 H ALA 51 13.711 2.207 -2.326 926 HA ALA 51 HA ALA 51 16.369 1.007 -2.016 927 1HB ALA 51 2HB ALA 51 15.836 3.389 -3.744 928 2HB ALA 51 3HB ALA 51 17.325 3.350 -2.801 929 3HB ALA 51 1HB ALA 51 16.992 2.075 -3.967 930 H ASN 52 H ASN 52 13.944 2.345 -0.479 931 HA ASN 52 HA ASN 52 13.814 3.228 1.683 932 1HB ASN 52 1HB ASN 52 15.987 1.931 1.968 933 2HB ASN 52 2HB ASN 52 16.821 3.445 1.616 934 1HD2 ASN 52 2HD2 ASN 52 14.876 2.907 5.177 935 2HD2 ASN 52 1HD2 ASN 52 14.065 2.411 3.771 936 HA PRO 53 HA PRO 53 13.996 7.524 0.498 937 1HB PRO 53 1HB PRO 53 12.804 8.452 2.876 938 2HB PRO 53 2HB PRO 53 11.944 7.991 1.402 939 1HG PRO 53 1HG PRO 53 12.074 6.580 3.967 940 2HG PRO 53 2HG PRO 53 11.013 6.277 2.588 941 1HD PRO 53 1HD PRO 53 13.319 4.756 3.396 942 2HD PRO 53 2HD PRO 53 12.289 4.483 1.978 943 H GLU 54 H GLU 54 14.936 6.469 3.778 944 HA GLU 54 HA GLU 54 16.719 8.848 3.976 945 1HB GLU 54 1HB GLU 54 14.972 7.789 5.801 946 2HB GLU 54 2HB GLU 54 16.498 7.068 6.312 947 1HG GLU 54 1HG GLU 54 17.351 9.063 6.998 948 2HG GLU 54 2HG GLU 54 16.673 9.931 5.620 949 H LYS 55 H LYS 55 17.572 6.646 2.285 950 HA LYS 55 HA LYS 55 19.661 5.317 3.927 951 1HB LYS 55 2HB LYS 55 18.287 4.672 1.456 952 2HB LYS 55 1HB LYS 55 20.034 4.602 1.238 953 1HG LYS 55 1HG LYS 55 20.161 3.197 3.326 954 2HG LYS 55 2HG LYS 55 18.399 3.149 3.337 955 1HD LYS 55 1HD LYS 55 18.358 2.053 1.173 956 2HD LYS 55 2HD LYS 55 20.102 2.242 0.999 957 1HE LYS 55 1HE LYS 55 19.567 0.951 3.504 958 2HE LYS 55 2HE LYS 55 18.695 0.096 2.231 959 1HZ LYS 55 3HZ LYS 55 20.761 0.009 0.953 960 2HZ LYS 55 1HZ LYS 55 21.588 0.770 2.227 961 3HZ LYS 55 2HZ LYS 55 20.917 -0.775 2.451 962 H LYS 56 H LYS 56 19.503 8.278 3.011 963 HA LYS 56 HA LYS 56 21.057 9.924 2.448 964 1HB LYS 56 1HB LYS 56 22.714 7.595 3.252 965 2HB LYS 56 2HB LYS 56 23.534 8.855 2.330 966 1HG LYS 56 1HG LYS 56 23.219 10.454 3.976 967 2HG LYS 56 2HG LYS 56 21.753 9.686 4.587 968 1HD LYS 56 1HD LYS 56 23.255 7.768 5.369 969 2HD LYS 56 2HD LYS 56 24.622 8.829 5.030 970 1HE LYS 56 1HE LYS 56 24.288 9.972 6.945 971 2HE LYS 56 2HE LYS 56 22.589 10.235 6.547 972 1HZ LYS 56 3HZ LYS 56 23.290 7.542 7.365 973 2HZ LYS 56 1HZ LYS 56 23.414 8.724 8.577 974 3HZ LYS 56 2HZ LYS 56 21.938 8.486 7.772 975 H TRP 57 H TRP 57 23.001 7.408 0.925 976 HA TRP 57 HA TRP 57 23.437 8.669 -1.496 977 1HB TRP 57 1HB TRP 57 23.905 6.452 -2.428 978 2HB TRP 57 2HB TRP 57 24.550 6.581 -0.787 979 HD1 TRP 57 HD1 TRP 57 23.654 4.823 0.914 980 HE1 TRP 57 HE1 TRP 57 21.904 2.931 0.746 981 HE3 TRP 57 HE3 TRP 57 21.680 5.953 -3.598 982 HZ2 TRP 57 HZ2 TRP 57 19.842 2.064 -1.098 983 HZ3 TRP 57 HZ3 TRP 57 19.933 4.568 -4.616 984 HH2 TRP 57 HH2 TRP 57 19.019 2.600 -3.391 985 H VAL 58 H VAL 58 20.472 7.074 -0.536 986 HA VAL 58 HA VAL 58 19.338 6.660 -3.109 987 HB VAL 58 HB VAL 58 17.109 7.298 -1.815 988 1HG1 VAL 58 3HG1 VAL 58 18.290 5.036 -2.513 989 2HG1 VAL 58 1HG1 VAL 58 18.445 4.868 -0.766 990 3HG1 VAL 58 2HG1 VAL 58 16.854 5.059 -1.505 991 1HG2 VAL 58 2HG2 VAL 58 18.911 8.020 0.105 992 2HG2 VAL 58 3HG2 VAL 58 17.230 7.587 0.410 993 3HG2 VAL 58 1HG2 VAL 58 18.498 6.376 0.580 994 H ARG 59 H ARG 59 19.004 9.548 -1.011 995 HA ARG 59 HA ARG 59 17.584 11.073 -2.972 996 1HB ARG 59 1HB ARG 59 19.304 11.985 -0.650 997 2HB ARG 59 2HB ARG 59 18.257 13.033 -1.574 998 1HG ARG 59 2HG ARG 59 16.301 11.763 -0.901 999 2HG ARG 59 1HG ARG 59 17.300 10.566 -0.115 1000 1HD ARG 59 1HD ARG 59 18.182 12.853 1.095 1001 2HD ARG 59 2HD ARG 59 16.483 13.239 0.825 1002 HE ARG 59 HE ARG 59 17.371 10.793 2.304 1003 1HH1 ARG 59 2HH1 ARG 59 14.409 12.109 1.305 1004 2HH1 ARG 59 1HH1 ARG 59 14.272 13.186 2.655 1005 1HH2 ARG 59 2HH2 ARG 59 16.514 11.601 4.603 1006 2HH2 ARG 59 1HH2 ARG 59 14.835 11.207 4.435 1007 H GLU 60 H GLU 60 20.999 10.512 -2.367 1008 HA GLU 60 HA GLU 60 22.058 12.634 -3.959 1009 1HB GLU 60 1HB GLU 60 23.049 10.041 -2.916 1010 2HB GLU 60 2HB GLU 60 23.896 10.670 -4.309 1011 1HG GLU 60 1HG GLU 60 23.391 12.791 -2.417 1012 2HG GLU 60 2HG GLU 60 24.222 11.470 -1.630 1013 H TYR 61 H TYR 61 20.537 9.616 -4.783 1014 HA TYR 61 HA TYR 61 21.405 9.831 -7.608 1015 1HB TYR 61 1HB TYR 61 19.641 7.760 -6.263 1016 2HB TYR 61 2HB TYR 61 20.272 7.671 -7.904 1017 HD1 TYR 61 HD1 TYR 61 22.939 9.178 -6.388 1018 HD2 TYR 61 HD2 TYR 61 20.835 5.402 -6.263 1019 HE1 TYR 61 HE1 TYR 61 24.993 8.060 -5.535 1020 HE2 TYR 61 HE2 TYR 61 22.891 4.294 -5.395 1021 HH TYR 61 HH TYR 61 25.301 4.638 -5.376 1022 H ILE 62 H ILE 62 18.584 10.327 -5.559 1023 HA ILE 62 HA ILE 62 16.613 10.459 -7.624 1024 HB ILE 62 HB ILE 62 16.850 11.457 -4.814 1025 1HG1 ILE 62 1HG1 ILE 62 14.593 10.288 -4.752 1026 2HG1 ILE 62 2HG1 ILE 62 14.875 9.823 -6.411 1027 1HG2 ILE 62 2HG2 ILE 62 15.034 12.660 -6.878 1028 2HG2 ILE 62 3HG2 ILE 62 14.411 12.400 -5.249 1029 3HG2 ILE 62 1HG2 ILE 62 15.822 13.428 -5.500 1030 1HD1 ILE 62 1HD1 ILE 62 17.100 8.846 -5.618 1031 2HD1 ILE 62 2HD1 ILE 62 16.488 9.060 -3.979 1032 3HD1 ILE 62 3HD1 ILE 62 15.648 7.990 -5.101 1033 H ASN 63 H ASN 63 18.452 13.122 -6.070 1034 HA ASN 63 HA ASN 63 17.567 15.122 -7.927 1035 1HB ASN 63 2HB ASN 63 20.153 15.085 -6.353 1036 2HB ASN 63 1HB ASN 63 19.352 16.494 -7.006 1037 1HD2 ASN 63 1HD2 ASN 63 18.995 15.747 -3.440 1038 2HD2 ASN 63 2HD2 ASN 63 19.076 17.193 -4.326 1039 H SER 64 H SER 64 20.465 13.052 -7.832 1040 HA SER 64 HA SER 64 21.786 14.153 -10.094 1041 1HB SER 64 1HB SER 64 21.782 11.419 -8.826 1042 2HB SER 64 2HB SER 64 22.705 11.728 -10.298 1043 HG SER 64 HG SER 64 24.008 13.047 -9.239 1044 H LEU 65 H LEU 65 18.951 12.159 -9.864 1045 HA LEU 65 HA LEU 65 19.087 11.276 -12.662 1046 1HB LEU 65 2HB LEU 65 17.085 10.979 -10.429 1047 2HB LEU 65 1HB LEU 65 16.644 10.569 -12.087 1048 HG LEU 65 HG LEU 65 19.226 9.496 -11.033 1049 1HD1 LEU 65 3HD1 LEU 65 17.194 9.208 -9.347 1050 2HD1 LEU 65 1HD1 LEU 65 16.718 7.951 -10.490 1051 3HD1 LEU 65 2HD1 LEU 65 18.284 7.862 -9.683 1052 1HD2 LEU 65 2HD2 LEU 65 17.575 9.156 -13.302 1053 2HD2 LEU 65 3HD2 LEU 65 19.035 8.252 -12.901 1054 3HD2 LEU 65 1HD2 LEU 65 17.457 7.654 -12.386 1055 H GLU 66 H GLU 66 17.926 12.181 -14.369 1056 HA GLU 66 HA GLU 66 16.730 14.851 -13.811 1057 1HB GLU 66 1HB GLU 66 18.359 13.765 -15.933 1058 2HB GLU 66 2HB GLU 66 16.850 14.388 -16.598 1059 1HG GLU 66 1HG GLU 66 17.212 16.535 -15.468 1060 2HG GLU 66 2HG GLU 66 18.691 15.915 -14.732 1061 H MET 67 H MET 67 14.549 15.098 -13.943 1062 HA MET 67 HA MET 67 12.772 12.917 -14.304 1063 1HB MET 67 1HB MET 67 12.325 15.234 -13.245 1064 2HB MET 67 2HB MET 67 12.008 15.778 -14.893 1065 1HG MET 67 1HG MET 67 9.891 15.118 -13.970 1066 2HG MET 67 2HG MET 67 10.368 13.845 -15.093 1067 1HE MET 67 1HE MET 67 8.378 13.171 -13.866 1068 2HE MET 67 3HE MET 67 8.664 11.635 -13.047 1069 3HE MET 67 2HE MET 67 8.242 13.069 -12.110 1070 H SER 68 H SER 68 12.980 11.771 -16.219 1071 HA SER 68 HA SER 68 13.147 13.207 -18.784 1072 1HB SER 68 1HB SER 68 13.628 10.484 -17.826 1073 2HB SER 68 2HB SER 68 12.751 10.518 -19.355 1074 HG SER 68 HG SER 68 14.448 11.291 -20.323 No H/Q in entry = 1074 Start of MODEL 2 1 H SER 1 H SER 1 11.216 -13.425 -0.924 2 HA SER 1 HA SER 1 12.509 -13.118 1.682 3 1HB SER 1 1HB SER 1 13.903 -14.657 -0.532 4 2HB SER 1 2HB SER 1 14.659 -14.126 0.971 5 HG SER 1 HG SER 1 13.886 -15.847 1.844 6 HA PRO 2 HA PRO 2 13.724 -9.339 -0.191 7 1HB PRO 2 1HB PRO 2 16.293 -9.225 1.112 8 2HB PRO 2 2HB PRO 2 14.812 -8.374 1.562 9 1HG PRO 2 1HG PRO 2 16.051 -10.603 2.916 10 2HG PRO 2 2HG PRO 2 14.571 -9.748 3.369 11 1HD PRO 2 1HD PRO 2 14.815 -12.394 2.242 12 2HD PRO 2 2HD PRO 2 13.331 -11.538 2.703 13 H TYR 3 H TYR 3 14.380 -9.346 -2.304 14 HA TYR 3 HA TYR 3 17.126 -10.281 -2.922 15 1HB TYR 3 1HB TYR 3 15.155 -12.042 -3.351 16 2HB TYR 3 2HB TYR 3 14.987 -11.104 -4.834 17 HD1 TYR 3 HD1 TYR 3 17.726 -10.299 -5.471 18 HD2 TYR 3 HD2 TYR 3 16.258 -14.048 -3.911 19 HE1 TYR 3 HE1 TYR 3 19.697 -11.474 -6.441 20 HE2 TYR 3 HE2 TYR 3 18.229 -15.224 -4.883 21 HH TYR 3 HH TYR 3 20.390 -14.829 -5.704 22 H SER 4 H SER 4 14.259 -9.312 -4.840 23 HA SER 4 HA SER 4 15.964 -7.336 -6.239 24 1HB SER 4 1HB SER 4 13.992 -7.093 -7.744 25 2HB SER 4 2HB SER 4 14.543 -8.765 -7.628 26 HG SER 4 HG SER 4 12.150 -7.806 -7.085 27 H SER 5 H SER 5 13.184 -7.500 -4.073 28 HA SER 5 HA SER 5 12.047 -5.807 -2.911 29 1HB SER 5 1HB SER 5 14.768 -4.530 -3.292 30 2HB SER 5 2HB SER 5 13.498 -3.827 -2.291 31 HG SER 5 HG SER 5 13.680 -5.429 -0.879 32 H ASP 6 H ASP 6 10.470 -5.279 -4.477 33 HA ASP 6 HA ASP 6 10.991 -2.719 -5.909 34 1HB ASP 6 2HB ASP 6 9.996 -3.579 -7.963 35 2HB ASP 6 1HB ASP 6 11.327 -4.613 -7.514 36 H THR 7 H THR 7 8.380 -2.847 -7.232 37 HA THR 7 HA THR 7 6.822 -1.886 -4.994 38 HB THR 7 HB THR 7 6.669 -0.865 -7.248 39 HG1 THR 7 HG1 THR 7 4.675 -0.388 -6.823 40 1HG2 THR 7 2HG2 THR 7 6.838 -3.198 -8.366 41 2HG2 THR 7 3HG2 THR 7 5.097 -3.297 -8.096 42 3HG2 THR 7 1HG2 THR 7 5.761 -2.012 -9.105 43 H THR 8 H THR 8 4.784 -2.766 -4.268 44 HA THR 8 HA THR 8 4.442 -5.673 -4.893 45 HB THR 8 HB THR 8 3.908 -4.316 -2.233 46 HG1 THR 8 HG1 THR 8 6.095 -5.787 -3.240 47 1HG2 THR 8 2HG2 THR 8 2.551 -6.351 -2.796 48 2HG2 THR 8 3HG2 THR 8 4.055 -7.252 -2.982 49 3HG2 THR 8 1HG2 THR 8 3.615 -6.585 -1.410 50 HA PRO 9 HA PRO 9 0.494 -3.986 -6.230 51 1HB PRO 9 1HB PRO 9 -0.376 -6.663 -6.827 52 2HB PRO 9 2HB PRO 9 0.145 -5.417 -7.968 53 1HG PRO 9 1HG PRO 9 1.576 -7.799 -7.178 54 2HG PRO 9 2HG PRO 9 2.081 -6.580 -8.325 55 1HD PRO 9 1HD PRO 9 3.100 -7.040 -5.697 56 2HD PRO 9 2HD PRO 9 3.606 -5.816 -6.852 57 H CYS 10 H CYS 10 -1.020 -3.519 -4.709 58 HA CYS 10 HA CYS 10 -2.727 -5.385 -3.465 59 1HB CYS 10 1HB CYS 10 -1.905 -5.322 -1.125 60 2HB CYS 10 2HB CYS 10 -0.773 -6.128 -2.177 61 H CYS 11 H CYS 11 -4.391 -4.303 -2.366 62 HA CYS 11 HA CYS 11 -4.100 -1.368 -2.499 63 1HB CYS 11 2HB CYS 11 -6.531 -1.241 -2.411 64 2HB CYS 11 1HB CYS 11 -5.996 -2.289 -3.713 65 H PHE 12 H PHE 12 -4.664 -0.030 -0.709 66 HA PHE 12 HA PHE 12 -4.303 -1.423 1.886 67 1HB PHE 12 1HB PHE 12 -3.477 0.663 2.748 68 2HB PHE 12 2HB PHE 12 -2.724 0.425 1.174 69 HD1 PHE 12 HD1 PHE 12 -3.697 1.628 -0.864 70 HD2 PHE 12 HD2 PHE 12 -4.852 2.559 3.191 71 HE1 PHE 12 HE1 PHE 12 -4.727 3.757 -1.645 72 HE2 PHE 12 HE2 PHE 12 -5.880 4.689 2.409 73 HZ PHE 12 HZ PHE 12 -5.821 5.287 -0.009 74 H ALA 13 H ALA 13 -6.363 1.123 0.429 75 HA ALA 13 HA ALA 13 -8.152 0.939 2.782 76 1HB ALA 13 2HB ALA 13 -8.049 2.802 0.403 77 2HB ALA 13 3HB ALA 13 -9.371 2.824 1.570 78 3HB ALA 13 1HB ALA 13 -7.726 3.193 2.092 79 H TYR 14 H TYR 14 -9.973 -0.208 2.777 80 HA TYR 14 HA TYR 14 -10.661 -1.769 0.443 81 1HB TYR 14 2HB TYR 14 -12.548 -1.485 2.749 82 2HB TYR 14 1HB TYR 14 -12.176 -2.902 1.804 83 HD1 TYR 14 HD1 TYR 14 -9.450 -3.453 1.885 84 HD2 TYR 14 HD2 TYR 14 -11.809 -1.561 4.964 85 HE1 TYR 14 HE1 TYR 14 -7.774 -4.148 3.596 86 HE2 TYR 14 HE2 TYR 14 -10.137 -2.258 6.676 87 HH TYR 14 HH TYR 14 -8.353 -3.643 7.053 88 H ILE 15 H ILE 15 -12.828 -1.665 -0.608 89 HA ILE 15 HA ILE 15 -13.520 1.062 -1.282 90 HB ILE 15 HB ILE 15 -13.733 -0.788 -2.907 91 1HG1 ILE 15 2HG1 ILE 15 -15.978 -0.207 -3.744 92 2HG1 ILE 15 1HG1 ILE 15 -16.391 0.481 -2.173 93 1HG2 ILE 15 2HG2 ILE 15 -14.892 -2.132 -0.754 94 2HG2 ILE 15 3HG2 ILE 15 -16.245 -1.832 -1.846 95 3HG2 ILE 15 1HG2 ILE 15 -14.824 -2.706 -2.421 96 1HD1 ILE 15 2HD1 ILE 15 -14.023 1.434 -3.797 97 2HD1 ILE 15 3HD1 ILE 15 -15.626 2.152 -3.943 98 3HD1 ILE 15 1HD1 ILE 15 -14.767 2.222 -2.406 99 H ALA 16 H ALA 16 -14.593 -1.148 1.157 100 HA ALA 16 HA ALA 16 -16.299 -0.976 2.764 101 1HB ALA 16 1HB ALA 16 -16.006 1.950 2.016 102 2HB ALA 16 2HB ALA 16 -16.912 1.360 3.408 103 3HB ALA 16 3HB ALA 16 -15.168 1.114 3.323 104 H ARG 17 H ARG 17 -17.429 -2.027 0.701 105 HA ARG 17 HA ARG 17 -20.124 -1.202 0.649 106 1HB ARG 17 2HB ARG 17 -18.432 0.409 -1.028 107 2HB ARG 17 1HB ARG 17 -19.531 -0.526 -2.041 108 1HG ARG 17 1HG ARG 17 -21.406 0.230 -0.493 109 2HG ARG 17 2HG ARG 17 -20.250 1.356 0.218 110 1HD ARG 17 1HD ARG 17 -21.360 2.613 -1.466 111 2HD ARG 17 2HD ARG 17 -19.816 2.161 -2.188 112 HE ARG 17 HE ARG 17 -22.152 0.406 -2.716 113 1HH1 ARG 17 1HH2 ARG 17 -19.378 2.166 -4.091 114 2HH1 ARG 17 2HH2 ARG 17 -19.649 0.992 -5.337 115 1HH2 ARG 17 1HH1 ARG 17 -23.145 1.393 -4.730 116 2HH2 ARG 17 2HH1 ARG 17 -22.007 1.867 -5.947 117 HA PRO 18 HA PRO 18 -19.384 -5.403 -0.917 118 1HB PRO 18 2HB PRO 18 -22.222 -5.834 -0.735 119 2HB PRO 18 1HB PRO 18 -20.971 -6.523 0.256 120 1HG PRO 18 1HG PRO 18 -22.844 -4.470 0.991 121 2HG PRO 18 2HG PRO 18 -21.565 -5.169 1.990 122 1HD PRO 18 2HD PRO 18 -21.647 -2.540 0.824 123 2HD PRO 18 1HD PRO 18 -20.339 -3.259 1.782 124 H LEU 19 H LEU 19 -18.917 -4.583 -3.055 125 HA LEU 19 HA LEU 19 -21.128 -3.805 -4.806 126 1HB LEU 19 1HB LEU 19 -19.260 -3.975 -6.601 127 2HB LEU 19 2HB LEU 19 -19.132 -2.705 -5.386 128 HG LEU 19 HG LEU 19 -17.898 -5.295 -4.646 129 1HD1 LEU 19 3HD1 LEU 19 -17.459 -4.575 -7.222 130 2HD1 LEU 19 1HD1 LEU 19 -16.220 -3.609 -6.421 131 3HD1 LEU 19 2HD1 LEU 19 -16.239 -5.361 -6.221 132 1HD2 LEU 19 3HD2 LEU 19 -17.671 -2.447 -4.086 133 2HD2 LEU 19 1HD2 LEU 19 -17.104 -3.817 -3.133 134 3HD2 LEU 19 2HD2 LEU 19 -16.095 -3.163 -4.423 135 HA PRO 20 HA PRO 20 -22.298 -7.961 -5.798 136 1HB PRO 20 1HB PRO 20 -23.186 -7.148 -8.437 137 2HB PRO 20 2HB PRO 20 -24.168 -7.575 -7.031 138 1HG PRO 20 1HG PRO 20 -23.729 -4.954 -8.131 139 2HG PRO 20 2HG PRO 20 -24.669 -5.375 -6.694 140 1HD PRO 20 1HD PRO 20 -22.113 -4.049 -6.807 141 2HD PRO 20 2HD PRO 20 -23.049 -4.485 -5.364 142 H ARG 21 H ARG 21 -21.100 -9.601 -6.650 143 HA ARG 21 HA ARG 21 -18.658 -9.214 -7.982 144 1HB ARG 21 2HB ARG 21 -18.601 -11.573 -8.342 145 2HB ARG 21 1HB ARG 21 -19.462 -11.339 -6.844 146 1HG ARG 21 2HG ARG 21 -20.845 -11.680 -9.517 147 2HG ARG 21 1HG ARG 21 -20.532 -13.009 -8.404 148 1HD ARG 21 2HD ARG 21 -21.722 -11.479 -6.647 149 2HD ARG 21 1HD ARG 21 -22.374 -10.657 -8.064 150 HE ARG 21 HE ARG 21 -22.896 -13.313 -8.590 151 1HH1 ARG 21 2HH1 ARG 21 -23.426 -13.795 -5.404 152 2HH1 ARG 21 1HH1 ARG 21 -24.719 -14.485 -6.327 153 1HH2 ARG 21 1HH2 ARG 21 -24.686 -10.891 -6.854 154 2HH2 ARG 21 2HH2 ARG 21 -25.868 -12.109 -7.204 155 H ALA 22 H ALA 22 -21.880 -9.226 -9.280 156 HA ALA 22 HA ALA 22 -21.427 -9.904 -11.973 157 1HB ALA 22 2HB ALA 22 -23.442 -8.441 -10.471 158 2HB ALA 22 3HB ALA 22 -23.183 -7.720 -12.061 159 3HB ALA 22 1HB ALA 22 -23.631 -9.420 -11.926 160 H HIS 23 H HIS 23 -21.216 -6.654 -10.492 161 HA HIS 23 HA HIS 23 -20.137 -5.425 -12.865 162 1HB HIS 23 2HB HIS 23 -19.689 -4.495 -10.018 163 2HB HIS 23 1HB HIS 23 -19.717 -3.513 -11.482 164 HD2 HIS 23 HD2 HIS 23 -22.643 -5.356 -12.356 165 HE1 HIS 23 HE1 HIS 23 -24.170 -2.821 -9.337 166 HE2 HIS 23 HE2 HIS 23 -24.793 -4.359 -11.267 167 H ILE 24 H ILE 24 -18.762 -7.305 -10.265 168 HA ILE 24 HA ILE 24 -16.019 -6.464 -10.908 169 HB ILE 24 HB ILE 24 -16.751 -8.819 -9.202 170 1HG1 ILE 24 2HG1 ILE 24 -16.550 -5.969 -8.223 171 2HG1 ILE 24 1HG1 ILE 24 -18.085 -6.780 -8.521 172 1HG2 ILE 24 1HG2 ILE 24 -14.365 -7.241 -9.797 173 2HG2 ILE 24 2HG2 ILE 24 -14.652 -7.420 -8.066 174 3HG2 ILE 24 3HG2 ILE 24 -14.499 -8.849 -9.087 175 1HD1 ILE 24 2HD1 ILE 24 -17.080 -8.657 -6.988 176 2HD1 ILE 24 3HD1 ILE 24 -15.992 -7.381 -6.441 177 3HD1 ILE 24 1HD1 ILE 24 -17.737 -7.201 -6.239 178 H LYS 25 H LYS 25 -14.386 -8.137 -11.513 179 HA LYS 25 HA LYS 25 -15.595 -10.312 -13.173 180 1HB LYS 25 1HB LYS 25 -13.257 -8.494 -13.787 181 2HB LYS 25 2HB LYS 25 -13.545 -10.000 -14.657 182 1HG LYS 25 1HG LYS 25 -15.718 -9.226 -15.398 183 2HG LYS 25 2HG LYS 25 -15.600 -7.788 -14.383 184 1HD LYS 25 1HD LYS 25 -14.210 -6.715 -15.845 185 2HD LYS 25 2HD LYS 25 -13.353 -8.196 -16.270 186 1HE LYS 25 1HE LYS 25 -16.113 -7.399 -17.247 187 2HE LYS 25 2HE LYS 25 -14.629 -7.367 -18.200 188 1HZ LYS 25 3HZ LYS 25 -14.527 -9.852 -17.402 189 2HZ LYS 25 1HZ LYS 25 -16.211 -9.654 -17.293 190 3HZ LYS 25 2HZ LYS 25 -15.420 -9.401 -18.775 191 H GLU 26 H GLU 26 -13.392 -9.489 -10.667 192 HA GLU 26 HA GLU 26 -12.762 -12.187 -10.046 193 1HB GLU 26 1HB GLU 26 -10.160 -11.686 -10.561 194 2HB GLU 26 2HB GLU 26 -11.202 -12.488 -11.712 195 1HG GLU 26 1HG GLU 26 -11.318 -9.561 -11.906 196 2HG GLU 26 2HG GLU 26 -9.717 -10.217 -12.207 197 H TYR 27 H TYR 27 -10.243 -11.713 -8.762 198 HA TYR 27 HA TYR 27 -10.472 -9.227 -7.240 199 1HB TYR 27 1HB TYR 27 -10.786 -10.272 -5.085 200 2HB TYR 27 2HB TYR 27 -12.061 -10.866 -6.120 201 HD1 TYR 27 HD1 TYR 27 -11.826 -13.161 -7.210 202 HD2 TYR 27 HD2 TYR 27 -9.144 -11.737 -4.140 203 HE1 TYR 27 HE1 TYR 27 -11.004 -15.487 -6.848 204 HE2 TYR 27 HE2 TYR 27 -8.329 -14.063 -3.772 205 HH TYR 27 HH TYR 27 -8.283 -16.163 -4.688 206 H PHE 28 H PHE 28 -8.601 -9.438 -5.414 207 HA PHE 28 HA PHE 28 -6.461 -11.171 -6.400 208 1HB PHE 28 1HB PHE 28 -5.918 -9.415 -7.829 209 2HB PHE 28 2HB PHE 28 -6.457 -8.197 -6.708 210 HD1 PHE 28 HD1 PHE 28 -4.119 -11.082 -6.191 211 HD2 PHE 28 HD2 PHE 28 -4.596 -6.793 -6.295 212 HE1 PHE 28 HE1 PHE 28 -1.847 -10.805 -5.211 213 HE2 PHE 28 HE2 PHE 28 -2.321 -6.517 -5.325 214 HZ PHE 28 HZ PHE 28 -0.935 -8.522 -4.798 215 H TYR 29 H TYR 29 -6.806 -12.092 -4.248 216 HA TYR 29 HA TYR 29 -6.643 -10.666 -1.828 217 1HB TYR 29 1HB TYR 29 -7.223 -13.048 -1.921 218 2HB TYR 29 2HB TYR 29 -5.579 -13.437 -2.419 219 HD1 TYR 29 HD2 TYR 29 -7.499 -11.723 0.318 220 HD2 TYR 29 HD1 TYR 29 -3.931 -13.882 -0.796 221 HE1 TYR 29 HE2 TYR 29 -6.784 -11.772 2.704 222 HE2 TYR 29 HE1 TYR 29 -3.214 -13.930 1.590 223 HH TYR 29 HH TYR 29 -3.634 -12.613 3.668 224 H THR 30 H THR 30 -5.006 -9.717 -0.752 225 HA THR 30 HA THR 30 -2.470 -9.285 -2.077 226 HB THR 30 HB THR 30 -3.243 -8.691 0.796 227 HG1 THR 30 HG1 THR 30 -4.610 -7.494 -0.317 228 1HG2 THR 30 2HG2 THR 30 -1.032 -7.713 -1.027 229 2HG2 THR 30 3HG2 THR 30 -1.488 -6.880 0.459 230 3HG2 THR 30 1HG2 THR 30 -0.863 -8.527 0.528 231 H SER 31 H SER 31 -0.355 -9.888 -1.171 232 HA SER 31 HA SER 31 -0.257 -12.674 -0.412 233 1HB SER 31 1HB SER 31 1.803 -10.486 -0.673 234 2HB SER 31 2HB SER 31 2.238 -12.068 -0.025 235 HG SER 31 HG SER 31 1.275 -11.390 -2.580 236 H GLY 32 H GLY 32 1.223 -9.936 1.353 237 1HA GLY 32 2HA GLY 32 -0.090 -9.981 3.756 238 2HA GLY 32 1HA GLY 32 0.947 -11.403 3.873 239 H LYS 33 H LYS 33 1.476 -8.142 2.486 240 HA LYS 33 HA LYS 33 3.474 -7.546 4.556 241 1HB LYS 33 1HB LYS 33 5.288 -7.188 2.852 242 2HB LYS 33 2HB LYS 33 4.837 -8.881 3.060 243 1HG LYS 33 1HG LYS 33 3.892 -9.013 0.975 244 2HG LYS 33 2HG LYS 33 3.321 -7.363 1.011 245 1HD LYS 33 1HD LYS 33 5.333 -6.500 0.247 246 2HD LYS 33 2HD LYS 33 6.269 -7.841 0.908 247 1HE LYS 33 1HE LYS 33 4.293 -8.425 -1.263 248 2HE LYS 33 2HE LYS 33 5.817 -7.654 -1.704 249 1HZ LYS 33 1HZ LYS 33 6.858 -9.487 -0.271 250 2HZ LYS 33 2HZ LYS 33 5.370 -10.285 -0.452 251 3HZ LYS 33 3HZ LYS 33 6.298 -9.898 -1.820 252 H CYS 34 H CYS 34 0.948 -6.432 3.235 253 HA CYS 34 HA CYS 34 2.081 -3.789 2.412 254 1HB CYS 34 1HB CYS 34 -0.565 -5.104 1.763 255 2HB CYS 34 2HB CYS 34 -0.216 -3.431 1.403 256 H SER 35 H SER 35 1.098 -5.161 5.147 257 HA SER 35 HA SER 35 0.096 -4.386 7.117 258 1HB SER 35 1HB SER 35 1.662 -2.350 6.109 259 2HB SER 35 2HB SER 35 0.101 -1.557 6.321 260 HG SER 35 HG SER 35 1.816 -1.960 8.172 261 H ASN 36 H ASN 36 -1.538 -4.734 4.533 262 HA ASN 36 HA ASN 36 -4.082 -3.919 5.644 263 1HB ASN 36 1HB ASN 36 -2.800 -2.245 3.516 264 2HB ASN 36 2HB ASN 36 -4.538 -2.533 3.426 265 1HD2 ASN 36 2HD2 ASN 36 -4.578 -1.436 7.034 266 2HD2 ASN 36 1HD2 ASN 36 -5.663 -2.050 5.882 267 HA PRO 37 HA PRO 37 -3.719 -7.479 2.596 268 1HB PRO 37 1HB PRO 37 -5.476 -8.884 4.436 269 2HB PRO 37 2HB PRO 37 -3.829 -9.308 3.955 270 1HG PRO 37 2HG PRO 37 -4.681 -8.231 6.475 271 2HG PRO 37 1HG PRO 37 -3.042 -8.587 5.972 272 1HD PRO 37 1HD PRO 37 -4.249 -5.999 6.325 273 2HD PRO 37 2HD PRO 37 -2.594 -6.360 5.801 274 H ALA 38 H ALA 38 -5.522 -8.234 1.270 275 HA ALA 38 HA ALA 38 -8.250 -7.523 1.863 276 1HB ALA 38 2HB ALA 38 -7.071 -5.267 1.334 277 2HB ALA 38 3HB ALA 38 -7.029 -5.839 -0.334 278 3HB ALA 38 1HB ALA 38 -8.575 -5.620 0.486 279 H VAL 39 H VAL 39 -9.143 -7.126 -0.752 280 HA VAL 39 HA VAL 39 -8.109 -9.408 -2.331 281 HB VAL 39 HB VAL 39 -10.667 -9.856 -2.828 282 1HG1 VAL 39 3HG1 VAL 39 -9.245 -10.754 -0.316 283 2HG1 VAL 39 1HG1 VAL 39 -10.660 -11.552 -1.002 284 3HG1 VAL 39 2HG1 VAL 39 -9.146 -11.511 -1.907 285 1HG2 VAL 39 3HG2 VAL 39 -11.467 -7.992 -1.376 286 2HG2 VAL 39 1HG2 VAL 39 -12.099 -9.563 -0.870 287 3HG2 VAL 39 2HG2 VAL 39 -10.769 -8.819 0.024 288 H VAL 40 H VAL 40 -7.264 -7.780 -3.592 289 HA VAL 40 HA VAL 40 -8.590 -5.463 -4.413 290 HB VAL 40 HB VAL 40 -6.222 -6.999 -5.259 291 1HG1 VAL 40 2HG1 VAL 40 -7.328 -6.620 -7.452 292 2HG1 VAL 40 3HG1 VAL 40 -7.420 -4.901 -7.084 293 3HG1 VAL 40 1HG1 VAL 40 -5.850 -5.680 -7.283 294 1HG2 VAL 40 3HG2 VAL 40 -7.009 -4.211 -4.494 295 2HG2 VAL 40 1HG2 VAL 40 -5.803 -5.267 -3.759 296 3HG2 VAL 40 2HG2 VAL 40 -5.464 -4.479 -5.302 297 H PHE 41 H PHE 41 -10.486 -5.366 -5.403 298 HA PHE 41 HA PHE 41 -11.420 -7.534 -7.084 299 1HB PHE 41 1HB PHE 41 -12.511 -4.867 -6.222 300 2HB PHE 41 2HB PHE 41 -13.238 -5.675 -7.606 301 HD1 PHE 41 HD2 PHE 41 -13.012 -8.552 -6.783 302 HD2 PHE 41 HD1 PHE 41 -14.145 -5.047 -4.535 303 HE1 PHE 41 HE2 PHE 41 -14.425 -9.964 -5.295 304 HE2 PHE 41 HE1 PHE 41 -15.572 -6.457 -3.060 305 HZ PHE 41 HZ PHE 41 -15.726 -8.912 -3.443 306 H VAL 42 H VAL 42 -11.450 -7.646 -9.181 307 HA VAL 42 HA VAL 42 -10.186 -5.415 -10.729 308 HB VAL 42 HB VAL 42 -10.025 -7.781 -12.243 309 1HG1 VAL 42 1HG2 VAL 42 -8.419 -5.850 -12.025 310 2HG1 VAL 42 2HG2 VAL 42 -7.913 -6.534 -10.476 311 3HG1 VAL 42 3HG2 VAL 42 -7.633 -7.430 -11.973 312 1HG2 VAL 42 2HG1 VAL 42 -9.122 -8.275 -9.395 313 2HG2 VAL 42 3HG1 VAL 42 -10.429 -9.110 -10.219 314 3HG2 VAL 42 1HG1 VAL 42 -8.775 -9.318 -10.775 315 H THR 43 H THR 43 -12.419 -4.599 -10.844 316 HA THR 43 HA THR 43 -14.554 -6.264 -11.933 317 HB THR 43 HB THR 43 -15.976 -4.394 -11.536 318 HG1 THR 43 HG1 THR 43 -13.686 -2.777 -11.219 319 1HG2 THR 43 2HG2 THR 43 -15.023 -5.449 -9.492 320 2HG2 THR 43 3HG2 THR 43 -13.743 -4.237 -9.493 321 3HG2 THR 43 1HG2 THR 43 -15.420 -3.750 -9.250 322 H ARG 44 H ARG 44 -15.980 -4.408 -13.461 323 HA ARG 44 HA ARG 44 -15.233 -5.045 -16.047 324 1HB ARG 44 1HB ARG 44 -16.499 -2.847 -16.682 325 2HB ARG 44 2HB ARG 44 -17.384 -4.140 -15.883 326 1HG ARG 44 1HG ARG 44 -17.934 -2.718 -14.231 327 2HG ARG 44 2HG ARG 44 -16.229 -2.522 -13.836 328 1HD ARG 44 1HD ARG 44 -16.873 -0.328 -14.335 329 2HD ARG 44 2HD ARG 44 -16.212 -0.879 -15.875 330 HE ARG 44 HE ARG 44 -19.035 -1.439 -15.741 331 1HH1 ARG 44 1HH2 ARG 44 -17.439 0.034 -18.129 332 2HH1 ARG 44 2HH2 ARG 44 -17.312 1.612 -17.427 333 1HH2 ARG 44 1HH1 ARG 44 -19.481 1.781 -15.474 334 2HH2 ARG 44 2HH1 ARG 44 -20.408 0.967 -16.691 335 H LYS 45 H LYS 45 -14.625 -1.807 -14.580 336 HA LYS 45 HA LYS 45 -12.745 -0.980 -16.580 337 1HB LYS 45 1HB LYS 45 -13.691 0.575 -14.873 338 2HB LYS 45 2HB LYS 45 -12.774 -0.266 -13.624 339 1HG LYS 45 1HG LYS 45 -11.526 1.709 -14.304 340 2HG LYS 45 2HG LYS 45 -10.672 0.279 -14.885 341 1HD LYS 45 1HD LYS 45 -11.473 0.589 -17.113 342 2HD LYS 45 2HD LYS 45 -12.667 1.778 -16.594 343 1HE LYS 45 1HE LYS 45 -10.904 3.355 -16.007 344 2HE LYS 45 2HE LYS 45 -9.665 2.155 -16.377 345 1HZ LYS 45 1HZ LYS 45 -11.620 2.795 -18.456 346 2HZ LYS 45 2HZ LYS 45 -10.411 3.942 -18.129 347 3HZ LYS 45 3HZ LYS 45 -9.983 2.368 -18.601 348 H ASN 46 H ASN 46 -12.618 -3.004 -13.772 349 HA ASN 46 HA ASN 46 -11.138 -4.616 -13.080 350 1HB ASN 46 1HB ASN 46 -10.596 -4.247 -15.896 351 2HB ASN 46 2HB ASN 46 -9.067 -4.487 -15.057 352 1HD2 ASN 46 1HD2 ASN 46 -9.620 -7.861 -15.489 353 2HD2 ASN 46 2HD2 ASN 46 -9.726 -6.665 -16.689 354 H ARG 47 H ARG 47 -10.659 -1.567 -12.774 355 HA ARG 47 HA ARG 47 -7.826 -1.260 -12.378 356 1HB ARG 47 2HB ARG 47 -10.292 0.034 -11.313 357 2HB ARG 47 1HB ARG 47 -8.852 0.196 -10.343 358 1HG ARG 47 1HG ARG 47 -8.952 0.837 -13.301 359 2HG ARG 47 2HG ARG 47 -9.190 2.047 -12.040 360 1HD ARG 47 1HD ARG 47 -6.796 0.378 -11.651 361 2HD ARG 47 2HD ARG 47 -6.750 1.359 -13.116 362 HE ARG 47 HE ARG 47 -7.298 2.573 -10.437 363 1HH1 ARG 47 2HH1 ARG 47 -4.573 2.159 -12.283 364 2HH1 ARG 47 1HH1 ARG 47 -4.677 3.632 -13.189 365 1HH2 ARG 47 2HH2 ARG 47 -7.205 4.917 -11.173 366 2HH2 ARG 47 1HH2 ARG 47 -5.635 5.328 -11.777 367 H GLN 48 H GLN 48 -6.782 -1.550 -10.111 368 HA GLN 48 HA GLN 48 -7.876 -4.065 -9.090 369 1HB GLN 48 1HB GLN 48 -5.249 -2.706 -8.925 370 2HB GLN 48 2HB GLN 48 -5.678 -3.798 -7.604 371 1HG GLN 48 1HG GLN 48 -6.192 -5.572 -9.220 372 2HG GLN 48 2HG GLN 48 -5.881 -4.481 -10.559 373 1HE2 GLN 48 1HE2 GLN 48 -2.892 -6.159 -8.343 374 2HE2 GLN 48 2HE2 GLN 48 -3.863 -5.032 -7.527 375 H VAL 49 H VAL 49 -9.692 -2.817 -8.452 376 HA VAL 49 HA VAL 49 -9.881 -0.884 -6.472 377 HB VAL 49 HB VAL 49 -11.916 -3.035 -6.386 378 1HG1 VAL 49 3HG1 VAL 49 -11.689 -0.094 -6.270 379 2HG1 VAL 49 1HG1 VAL 49 -13.178 -0.719 -6.979 380 3HG1 VAL 49 2HG1 VAL 49 -12.722 -1.180 -5.338 381 1HG2 VAL 49 3HG2 VAL 49 -11.145 -1.642 -8.948 382 2HG2 VAL 49 1HG2 VAL 49 -11.759 -3.278 -8.739 383 3HG2 VAL 49 2HG2 VAL 49 -12.853 -1.902 -8.620 384 H CYS 50 H CYS 50 -11.153 -1.635 -4.290 385 HA CYS 50 HA CYS 50 -9.539 -3.742 -2.926 386 1HB CYS 50 1HB CYS 50 -9.112 -1.063 -2.597 387 2HB CYS 50 2HB CYS 50 -10.338 -1.325 -1.393 388 H ALA 51 H ALA 51 -10.730 -4.756 -1.113 389 HA ALA 51 HA ALA 51 -13.413 -3.745 -0.511 390 1HB ALA 51 1HB ALA 51 -13.091 -6.429 -1.886 391 2HB ALA 51 2HB ALA 51 -14.592 -5.796 -1.214 392 3HB ALA 51 3HB ALA 51 -13.839 -4.995 -2.590 393 H ASN 52 H ASN 52 -10.817 -4.585 0.811 394 HA ASN 52 HA ASN 52 -10.279 -5.520 2.884 395 1HB ASN 52 1HB ASN 52 -12.437 -4.353 3.479 396 2HB ASN 52 2HB ASN 52 -13.275 -5.872 3.171 397 1HD2 ASN 52 2HD2 ASN 52 -11.546 -4.541 6.262 398 2HD2 ASN 52 1HD2 ASN 52 -10.212 -5.309 5.547 399 HA PRO 53 HA PRO 53 -10.361 -9.821 1.877 400 1HB PRO 53 2HB PRO 53 -8.964 -10.716 4.104 401 2HB PRO 53 1HB PRO 53 -8.203 -10.031 2.666 402 1HG PRO 53 2HG PRO 53 -8.489 -8.844 5.354 403 2HG PRO 53 1HG PRO 53 -7.422 -8.358 4.032 404 1HD PRO 53 1HD PRO 53 -9.876 -7.105 4.845 405 2HD PRO 53 2HD PRO 53 -8.849 -6.657 3.492 406 H GLU 54 H GLU 54 -10.794 -9.136 5.372 407 HA GLU 54 HA GLU 54 -12.771 -11.356 5.499 408 1HB GLU 54 1HB GLU 54 -12.501 -11.072 7.984 409 2HB GLU 54 2HB GLU 54 -11.009 -11.508 7.151 410 1HG GLU 54 1HG GLU 54 -10.017 -9.534 7.668 411 2HG GLU 54 2HG GLU 54 -11.468 -8.608 7.284 412 H LYS 55 H LYS 55 -14.117 -9.550 4.247 413 HA LYS 55 HA LYS 55 -15.541 -7.913 6.301 414 1HB LYS 55 2HB LYS 55 -14.564 -7.218 3.703 415 2HB LYS 55 1HB LYS 55 -16.324 -7.111 3.695 416 1HG LYS 55 1HG LYS 55 -14.958 -5.997 6.087 417 2HG LYS 55 2HG LYS 55 -14.735 -5.106 4.581 418 1HD LYS 55 1HD LYS 55 -17.001 -4.618 4.379 419 2HD LYS 55 2HD LYS 55 -17.494 -6.015 5.334 420 1HE LYS 55 1HE LYS 55 -16.503 -4.903 7.355 421 2HE LYS 55 2HE LYS 55 -16.198 -3.475 6.366 422 1HZ LYS 55 3HZ LYS 55 -18.896 -4.604 6.356 423 2HZ LYS 55 1HZ LYS 55 -18.404 -3.744 7.736 424 3HZ LYS 55 2HZ LYS 55 -18.397 -2.987 6.216 425 H LYS 56 H LYS 56 -15.877 -10.794 5.556 426 HA LYS 56 HA LYS 56 -17.645 -12.293 5.299 427 1HB LYS 56 1HB LYS 56 -19.003 -9.745 6.081 428 2HB LYS 56 2HB LYS 56 -19.997 -11.084 5.511 429 1HG LYS 56 1HG LYS 56 -19.051 -12.560 7.208 430 2HG LYS 56 2HG LYS 56 -17.937 -11.296 7.728 431 1HD LYS 56 1HD LYS 56 -19.958 -9.865 8.254 432 2HD LYS 56 2HD LYS 56 -20.959 -11.284 7.949 433 1HE LYS 56 1HE LYS 56 -20.609 -11.350 10.282 434 2HE LYS 56 2HE LYS 56 -19.407 -12.478 9.655 435 1HZ LYS 56 2HZ LYS 56 -17.884 -10.449 9.596 436 2HZ LYS 56 3HZ LYS 56 -19.018 -9.719 10.628 437 3HZ LYS 56 1HZ LYS 56 -18.221 -11.139 11.110 438 H TRP 57 H TRP 57 -19.525 -9.659 3.901 439 HA TRP 57 HA TRP 57 -20.398 -11.012 1.648 440 1HB TRP 57 1HB TRP 57 -20.935 -8.863 0.694 441 2HB TRP 57 2HB TRP 57 -21.214 -8.792 2.436 442 HD1 TRP 57 HD1 TRP 57 -19.850 -6.983 3.734 443 HE1 TRP 57 HE1 TRP 57 -18.202 -5.154 2.957 444 HE3 TRP 57 HE3 TRP 57 -18.969 -8.627 -0.969 445 HZ2 TRP 57 HZ2 TRP 57 -16.719 -4.462 0.568 446 HZ3 TRP 57 HZ3 TRP 57 -17.545 -7.372 -2.514 447 HH2 TRP 57 HH2 TRP 57 -16.394 -5.294 -1.757 448 H VAL 58 H VAL 58 -17.197 -9.713 2.103 449 HA VAL 58 HA VAL 58 -16.599 -9.819 -0.779 450 HB VAL 58 HB VAL 58 -14.122 -9.769 0.286 451 1HG1 VAL 58 3HG1 VAL 58 -15.579 -8.079 -1.125 452 2HG1 VAL 58 1HG1 VAL 58 -15.653 -7.215 0.413 453 3HG1 VAL 58 2HG1 VAL 58 -14.095 -7.559 -0.339 454 1HG2 VAL 58 1HG2 VAL 58 -15.048 -9.936 2.588 455 2HG2 VAL 58 2HG2 VAL 58 -14.074 -8.489 2.321 456 3HG2 VAL 58 3HG2 VAL 58 -15.834 -8.381 2.328 457 H ARG 59 H ARG 59 -15.658 -11.747 2.090 458 HA ARG 59 HA ARG 59 -14.171 -13.673 0.593 459 1HB ARG 59 1HB ARG 59 -15.750 -14.230 3.127 460 2HB ARG 59 2HB ARG 59 -14.316 -15.081 2.553 461 1HG ARG 59 1HG ARG 59 -13.095 -12.851 2.715 462 2HG ARG 59 2HG ARG 59 -14.490 -12.241 3.572 463 1HD ARG 59 1HD ARG 59 -13.201 -14.801 4.466 464 2HD ARG 59 2HD ARG 59 -12.496 -13.255 4.937 465 HE ARG 59 HE ARG 59 -15.383 -13.599 5.471 466 1HH1 ARG 59 2HH2 ARG 59 -12.973 -15.102 7.483 467 2HH1 ARG 59 1HH2 ARG 59 -12.158 -13.577 7.564 468 1HH2 ARG 59 2HH1 ARG 59 -14.765 -11.805 7.734 469 2HH2 ARG 59 1HH1 ARG 59 -15.336 -13.262 8.477 470 H GLU 60 H GLU 60 -17.580 -13.147 0.951 471 HA GLU 60 HA GLU 60 -18.277 -15.841 -0.044 472 1HB GLU 60 1HB GLU 60 -19.623 -13.751 1.418 473 2HB GLU 60 2HB GLU 60 -20.547 -14.146 -0.010 474 1HG GLU 60 2HG GLU 60 -19.680 -16.608 1.045 475 2HG GLU 60 1HG GLU 60 -20.235 -15.674 2.412 476 H TYR 61 H TYR 61 -17.679 -12.667 -1.244 477 HA TYR 61 HA TYR 61 -19.225 -13.025 -3.716 478 1HB TYR 61 2HB TYR 61 -17.531 -10.895 -2.482 479 2HB TYR 61 1HB TYR 61 -17.706 -10.864 -4.213 480 HD1 TYR 61 HD1 TYR 61 -20.247 -12.105 -1.787 481 HD2 TYR 61 HD2 TYR 61 -19.109 -8.900 -4.455 482 HE1 TYR 61 HE1 TYR 61 -22.462 -11.029 -1.436 483 HE2 TYR 61 HE2 TYR 61 -21.339 -7.836 -4.105 484 HH TYR 61 HH TYR 61 -23.143 -7.974 -2.031 485 H ILE 62 H ILE 62 -15.794 -12.543 -2.920 486 HA ILE 62 HA ILE 62 -14.600 -13.174 -5.349 487 HB ILE 62 HB ILE 62 -13.790 -13.620 -2.470 488 1HG1 ILE 62 2HG1 ILE 62 -11.967 -11.959 -3.586 489 2HG1 ILE 62 1HG1 ILE 62 -13.358 -11.612 -4.613 490 1HG2 ILE 62 2HG2 ILE 62 -12.571 -14.817 -4.851 491 2HG2 ILE 62 3HG2 ILE 62 -11.446 -13.829 -3.921 492 3HG2 ILE 62 1HG2 ILE 62 -12.291 -15.168 -3.146 493 1HD1 ILE 62 3HD1 ILE 62 -13.579 -11.668 -1.600 494 2HD1 ILE 62 1HD1 ILE 62 -13.117 -10.205 -2.471 495 3HD1 ILE 62 2HD1 ILE 62 -14.692 -10.946 -2.762 496 H ASN 63 H ASN 63 -15.411 -15.491 -2.730 497 HA ASN 63 HA ASN 63 -14.599 -17.853 -4.028 498 1HB ASN 63 1HB ASN 63 -15.970 -17.228 -1.681 499 2HB ASN 63 2HB ASN 63 -17.103 -18.209 -2.579 500 1HD2 ASN 63 1HD2 ASN 63 -14.228 -19.918 -0.564 501 2HD2 ASN 63 2HD2 ASN 63 -13.851 -18.329 -1.024 502 H SER 64 H SER 64 -17.729 -16.154 -4.242 503 HA SER 64 HA SER 64 -19.087 -18.012 -5.883 504 1HB SER 64 2HB SER 64 -19.239 -15.003 -5.705 505 2HB SER 64 1HB SER 64 -20.282 -15.915 -6.767 506 HG SER 64 HG SER 64 -21.461 -16.071 -5.036 507 H LEU 65 H LEU 65 -16.761 -15.477 -6.740 508 HA LEU 65 HA LEU 65 -17.042 -15.708 -9.582 509 1HB LEU 65 2HB LEU 65 -14.593 -14.923 -7.980 510 2HB LEU 65 1HB LEU 65 -14.850 -14.598 -9.677 511 HG LEU 65 HG LEU 65 -16.779 -13.647 -7.558 512 1HD1 LEU 65 3HD1 LEU 65 -14.212 -12.832 -7.536 513 2HD1 LEU 65 1HD1 LEU 65 -14.835 -11.758 -8.790 514 3HD1 LEU 65 2HD1 LEU 65 -15.552 -11.741 -7.179 515 1HD2 LEU 65 3HD2 LEU 65 -16.550 -13.493 -10.465 516 2HD2 LEU 65 1HD2 LEU 65 -17.933 -13.132 -9.432 517 3HD2 LEU 65 2HD2 LEU 65 -16.707 -11.900 -9.727 518 H GLU 66 H GLU 66 -15.286 -16.651 -11.017 519 HA GLU 66 HA GLU 66 -14.197 -19.171 -9.824 520 1HB GLU 66 1HB GLU 66 -14.616 -20.260 -12.015 521 2HB GLU 66 2HB GLU 66 -16.111 -19.686 -11.277 522 1HG GLU 66 1HG GLU 66 -15.092 -17.519 -12.785 523 2HG GLU 66 2HG GLU 66 -14.948 -18.944 -13.813 524 H MET 67 H MET 67 -12.202 -19.925 -10.814 525 HA MET 67 HA MET 67 -10.280 -17.912 -11.300 526 1HB MET 67 1HB MET 67 -10.276 -20.706 -11.076 527 2HB MET 67 2HB MET 67 -9.621 -20.386 -12.682 528 1HG MET 67 1HG MET 67 -8.587 -18.585 -10.595 529 2HG MET 67 2HG MET 67 -8.167 -20.280 -10.346 530 1HE MET 67 1HE MET 67 -7.930 -21.647 -12.891 531 2HE MET 67 3HE MET 67 -6.278 -21.355 -13.437 532 3HE MET 67 2HE MET 67 -6.603 -21.652 -11.730 533 H SER 68 H SER 68 -9.937 -16.648 -13.061 534 HA SER 68 HA SER 68 -10.104 -15.833 -15.256 535 1HB SER 68 1HB SER 68 -9.963 -18.820 -15.709 536 2HB SER 68 2HB SER 68 -10.025 -17.670 -17.044 537 HG SER 68 HG SER 68 -8.181 -16.643 -16.047 538 H SER 1 H SER 1 -8.240 10.605 -1.977 539 HA SER 1 HA SER 1 -9.354 10.673 0.726 540 1HB SER 1 1HB SER 1 -10.901 11.891 -1.584 541 2HB SER 1 2HB SER 1 -11.551 11.579 0.025 542 HG SER 1 HG SER 1 -10.732 13.403 0.594 543 HA PRO 2 HA PRO 2 -10.671 6.674 -0.513 544 1HB PRO 2 1HB PRO 2 -13.146 6.753 0.961 545 2HB PRO 2 2HB PRO 2 -11.634 5.968 1.427 546 1HG PRO 2 1HG PRO 2 -12.792 8.370 2.534 547 2HG PRO 2 2HG PRO 2 -11.282 7.581 3.003 548 1HD PRO 2 1HD PRO 2 -11.614 10.044 1.535 549 2HD PRO 2 2HD PRO 2 -10.097 9.256 2.011 550 H TYR 3 H TYR 3 -11.467 6.387 -2.558 551 HA TYR 3 HA TYR 3 -14.253 7.236 -3.116 552 1HB TYR 3 1HB TYR 3 -12.324 8.911 -3.919 553 2HB TYR 3 2HB TYR 3 -12.250 7.774 -5.263 554 HD1 TYR 3 HD1 TYR 3 -15.019 6.898 -5.596 555 HD2 TYR 3 HD2 TYR 3 -13.472 10.823 -4.680 556 HE1 TYR 3 HE1 TYR 3 -17.058 7.932 -6.589 557 HE2 TYR 3 HE2 TYR 3 -15.511 11.858 -5.675 558 HH TYR 3 HH TYR 3 -17.719 11.360 -6.286 559 H SER 4 H SER 4 -11.514 5.996 -5.067 560 HA SER 4 HA SER 4 -13.298 3.849 -6.056 561 1HB SER 4 1HB SER 4 -11.429 3.390 -7.640 562 2HB SER 4 2HB SER 4 -11.980 5.063 -7.724 563 HG SER 4 HG SER 4 -9.551 4.179 -7.212 564 H SER 5 H SER 5 -10.382 4.308 -4.124 565 HA SER 5 HA SER 5 -9.159 2.792 -2.814 566 1HB SER 5 1HB SER 5 -11.892 1.483 -2.831 567 2HB SER 5 2HB SER 5 -10.554 0.922 -1.828 568 HG SER 5 HG SER 5 -10.651 2.707 -0.645 569 H ASP 6 H ASP 6 -7.683 2.040 -4.388 570 HA ASP 6 HA ASP 6 -8.286 -0.690 -5.408 571 1HB ASP 6 1HB ASP 6 -7.439 -0.137 -7.626 572 2HB ASP 6 2HB ASP 6 -8.740 0.958 -7.238 573 H THR 7 H THR 7 -5.772 -0.764 -6.910 574 HA THR 7 HA THR 7 -4.062 -1.408 -4.669 575 HB THR 7 HB THR 7 -4.056 -2.736 -6.763 576 HG1 THR 7 HG1 THR 7 -2.037 -3.159 -6.409 577 1HG2 THR 7 2HG2 THR 7 -4.311 -0.583 -8.184 578 2HG2 THR 7 3HG2 THR 7 -2.558 -0.453 -8.048 579 3HG2 THR 7 1HG2 THR 7 -3.279 -1.865 -8.819 580 H THR 8 H THR 8 -1.987 -0.443 -4.211 581 HA THR 8 HA THR 8 -1.702 2.346 -5.262 582 HB THR 8 HB THR 8 -0.984 1.374 -2.479 583 HG1 THR 8 HG1 THR 8 -3.242 2.696 -3.534 584 1HG2 THR 8 2HG2 THR 8 0.321 3.305 -3.411 585 2HG2 THR 8 3HG2 THR 8 -1.198 4.177 -3.621 586 3HG2 THR 8 1HG2 THR 8 -0.650 3.735 -2.003 587 HA PRO 9 HA PRO 9 2.158 0.470 -6.608 588 1HB PRO 9 1HB PRO 9 2.971 3.035 -7.631 589 2HB PRO 9 2HB PRO 9 2.383 1.643 -8.549 590 1HG PRO 9 2HG PRO 9 0.993 4.117 -8.007 591 2HG PRO 9 1HG PRO 9 0.421 2.752 -8.937 592 1HD PRO 9 2HD PRO 9 -0.423 3.578 -6.337 593 2HD PRO 9 1HD PRO 9 -1.000 2.207 -7.272 594 H CYS 10 H CYS 10 3.770 0.215 -5.139 595 HA CYS 10 HA CYS 10 5.548 2.231 -4.286 596 1HB CYS 10 2HB CYS 10 4.883 2.501 -1.913 597 2HB CYS 10 1HB CYS 10 3.678 3.157 -2.989 598 H CYS 11 H CYS 11 7.286 1.307 -3.162 599 HA CYS 11 HA CYS 11 7.004 -1.616 -2.861 600 1HB CYS 11 2HB CYS 11 9.434 -1.739 -2.920 601 2HB CYS 11 1HB CYS 11 8.807 -0.880 -4.316 602 H PHE 12 H PHE 12 7.687 -2.694 -0.940 603 HA PHE 12 HA PHE 12 7.497 -0.945 1.449 604 1HB PHE 12 1HB PHE 12 6.746 -2.886 2.652 605 2HB PHE 12 2HB PHE 12 5.886 -2.869 1.115 606 HD1 PHE 12 HD1 PHE 12 6.709 -4.356 -0.791 607 HD2 PHE 12 HD2 PHE 12 8.189 -4.690 3.251 608 HE1 PHE 12 HE1 PHE 12 7.696 -6.579 -1.336 609 HE2 PHE 12 HE2 PHE 12 9.158 -6.922 2.713 610 HZ PHE 12 HZ PHE 12 8.917 -7.864 0.417 611 H ALA 13 H ALA 13 9.469 -3.679 0.231 612 HA ALA 13 HA ALA 13 11.410 -3.173 2.408 613 1HB ALA 13 2HB ALA 13 11.160 -5.353 0.328 614 2HB ALA 13 3HB ALA 13 12.555 -5.214 1.397 615 3HB ALA 13 1HB ALA 13 10.952 -5.499 2.073 616 H TYR 14 H TYR 14 13.221 -2.044 2.124 617 HA TYR 14 HA TYR 14 13.745 -0.830 -0.447 618 1HB TYR 14 1HB TYR 14 15.781 -0.796 1.745 619 2HB TYR 14 2HB TYR 14 15.341 0.476 0.637 620 HD1 TYR 14 HD1 TYR 14 12.622 1.045 0.821 621 HD2 TYR 14 HD2 TYR 14 15.190 -0.406 3.973 622 HE1 TYR 14 HE1 TYR 14 11.060 1.978 2.525 623 HE2 TYR 14 HE2 TYR 14 13.632 0.531 5.676 624 HH TYR 14 HH TYR 14 11.870 1.963 5.972 625 H ILE 15 H ILE 15 15.836 -1.090 -1.615 626 HA ILE 15 HA ILE 15 16.494 -3.888 -1.945 627 HB ILE 15 HB ILE 15 16.591 -2.286 -3.824 628 1HG1 ILE 15 2HG1 ILE 15 18.778 -2.988 -4.718 629 2HG1 ILE 15 1HG1 ILE 15 19.298 -3.449 -3.098 630 1HG2 ILE 15 2HG2 ILE 15 17.882 -0.658 -1.963 631 2HG2 ILE 15 3HG2 ILE 15 19.162 -1.113 -3.089 632 3HG2 ILE 15 1HG2 ILE 15 17.701 -0.323 -3.685 633 1HD1 ILE 15 2HD1 ILE 15 16.832 -4.612 -4.410 634 2HD1 ILE 15 3HD1 ILE 15 18.426 -5.350 -4.561 635 3HD1 ILE 15 1HD1 ILE 15 17.670 -5.199 -2.974 636 H ALA 16 H ALA 16 17.717 -1.362 0.084 637 HA ALA 16 HA ALA 16 19.527 -1.314 1.580 638 1HB ALA 16 1HB ALA 16 19.201 -4.315 1.272 639 2HB ALA 16 2HB ALA 16 20.194 -3.538 2.505 640 3HB ALA 16 3HB ALA 16 18.447 -3.300 2.503 641 H ARG 17 H ARG 17 20.511 -0.569 -0.679 642 HA ARG 17 HA ARG 17 23.201 -1.402 -0.795 643 1HB ARG 17 2HB ARG 17 21.410 -3.228 -2.111 644 2HB ARG 17 1HB ARG 17 22.434 -2.447 -3.318 645 1HG ARG 17 1HG ARG 17 24.413 -2.985 -1.808 646 2HG ARG 17 2HG ARG 17 23.314 -3.996 -0.870 647 1HD ARG 17 1HD ARG 17 24.315 -5.482 -2.430 648 2HD ARG 17 2HD ARG 17 22.724 -5.129 -3.105 649 HE ARG 17 HE ARG 17 25.009 -3.475 -4.028 650 1HH1 ARG 17 1HH2 ARG 17 22.159 -5.399 -4.956 651 2HH1 ARG 17 2HH2 ARG 17 22.341 -4.414 -6.368 652 1HH2 ARG 17 1HH1 ARG 17 25.872 -4.739 -5.945 653 2HH2 ARG 17 2HH1 ARG 17 24.659 -5.374 -7.006 654 HA PRO 18 HA PRO 18 22.330 2.536 -2.884 655 1HB PRO 18 1HB PRO 18 25.165 2.985 -2.956 656 2HB PRO 18 2HB PRO 18 23.982 3.807 -1.986 657 1HG PRO 18 1HG PRO 18 25.919 1.873 -1.106 658 2HG PRO 18 2HG PRO 18 24.708 2.710 -0.128 659 1HD PRO 18 2HD PRO 18 24.726 -0.058 -0.913 660 2HD PRO 18 1HD PRO 18 23.480 0.794 0.020 661 H LEU 19 H LEU 19 21.732 1.428 -4.848 662 HA LEU 19 HA LEU 19 23.826 0.405 -6.615 663 1HB LEU 19 1HB LEU 19 21.843 0.333 -8.290 664 2HB LEU 19 2HB LEU 19 21.802 -0.756 -6.905 665 HG LEU 19 HG LEU 19 20.607 1.917 -6.451 666 1HD1 LEU 19 3HD1 LEU 19 20.000 0.844 -8.868 667 2HD1 LEU 19 1HD1 LEU 19 18.818 0.011 -7.856 668 3HD1 LEU 19 2HD1 LEU 19 18.848 1.773 -7.909 669 1HD2 LEU 19 3HD2 LEU 19 20.433 -0.825 -5.487 670 2HD2 LEU 19 1HD2 LEU 19 19.922 0.667 -4.698 671 3HD2 LEU 19 2HD2 LEU 19 18.833 -0.157 -5.814 672 HA PRO 20 HA PRO 20 24.906 4.376 -8.257 673 1HB PRO 20 1HB PRO 20 25.622 3.199 -10.809 674 2HB PRO 20 2HB PRO 20 26.693 3.813 -9.545 675 1HG PRO 20 1HG PRO 20 26.194 1.066 -10.237 676 2HG PRO 20 2HG PRO 20 27.224 1.678 -8.939 677 1HD PRO 20 1HD PRO 20 24.672 0.362 -8.697 678 2HD PRO 20 2HD PRO 20 25.699 0.988 -7.394 679 H ARG 21 H ARG 21 23.646 5.886 -9.251 680 HA ARG 21 HA ARG 21 21.123 5.325 -10.350 681 1HB ARG 21 1HB ARG 21 21.030 7.611 -11.031 682 2HB ARG 21 2HB ARG 21 21.990 7.585 -9.576 683 1HG ARG 21 2HG ARG 21 23.189 7.544 -12.357 684 2HG ARG 21 1HG ARG 21 22.944 9.017 -11.422 685 1HD ARG 21 2HD ARG 21 24.257 7.742 -9.553 686 2HD ARG 21 1HD ARG 21 24.817 6.728 -10.881 687 HE ARG 21 HE ARG 21 25.290 9.280 -11.808 688 1HH1 ARG 21 2HH1 ARG 21 26.026 10.203 -8.762 689 2HH1 ARG 21 1HH1 ARG 21 27.251 10.752 -9.858 690 1HH2 ARG 21 1HH2 ARG 21 27.203 7.119 -9.872 691 2HH2 ARG 21 2HH2 ARG 21 28.352 8.271 -10.467 692 H ALA 22 H ALA 22 24.252 5.143 -11.848 693 HA ALA 22 HA ALA 22 23.615 5.436 -14.573 694 1HB ALA 22 2HB ALA 22 25.735 4.190 -13.020 695 2HB ALA 22 3HB ALA 22 25.373 3.255 -14.471 696 3HB ALA 22 1HB ALA 22 25.822 4.955 -14.607 697 H HIS 23 H HIS 23 23.516 2.432 -12.633 698 HA HIS 23 HA HIS 23 22.288 0.885 -14.733 699 1HB HIS 23 2HB HIS 23 22.040 0.365 -11.760 700 2HB HIS 23 1HB HIS 23 21.972 -0.812 -13.070 701 HD2 HIS 23 HD2 HIS 23 24.822 0.875 -14.392 702 HE1 HIS 23 HE1 HIS 23 26.564 -1.219 -11.158 703 HE2 HIS 23 HE2 HIS 23 27.047 0.030 -13.322 704 H ILE 24 H ILE 24 21.079 3.115 -12.328 705 HA ILE 24 HA ILE 24 18.306 2.204 -12.672 706 HB ILE 24 HB ILE 24 19.137 4.769 -11.357 707 1HG1 ILE 24 2HG1 ILE 24 18.928 2.114 -9.948 708 2HG1 ILE 24 1HG1 ILE 24 20.472 2.782 -10.481 709 1HG2 ILE 24 1HG2 ILE 24 16.714 3.146 -11.587 710 2HG2 ILE 24 2HG2 ILE 24 17.098 3.585 -9.924 711 3HG2 ILE 24 3HG2 ILE 24 16.890 4.843 -11.142 712 1HD1 ILE 24 2HD1 ILE 24 19.610 4.932 -9.202 713 2HD1 ILE 24 3HD1 ILE 24 18.588 3.769 -8.359 714 3HD1 ILE 24 1HD1 ILE 24 20.343 3.606 -8.300 715 H LYS 25 H LYS 25 16.629 3.780 -13.404 716 HA LYS 25 HA LYS 25 17.718 5.693 -15.428 717 1HB LYS 25 1HB LYS 25 15.354 3.816 -15.623 718 2HB LYS 25 2HB LYS 25 15.575 5.183 -16.715 719 1HG LYS 25 1HG LYS 25 17.699 4.304 -17.481 720 2HG LYS 25 2HG LYS 25 17.655 3.024 -16.270 721 1HD LYS 25 1HD LYS 25 16.177 1.763 -17.469 722 2HD LYS 25 2HD LYS 25 15.284 3.173 -18.038 723 1HE LYS 25 1HE LYS 25 17.975 2.235 -19.079 724 2HE LYS 25 2HE LYS 25 16.431 2.076 -19.916 725 1HZ LYS 25 3HZ LYS 25 16.371 4.649 -19.471 726 2HZ LYS 25 1HZ LYS 25 18.058 4.461 -19.447 727 3HZ LYS 25 2HZ LYS 25 17.172 4.006 -20.822 728 H GLU 26 H GLU 26 15.687 5.240 -12.694 729 HA GLU 26 HA GLU 26 15.086 8.001 -12.420 730 1HB GLU 26 1HB GLU 26 12.457 7.441 -12.682 731 2HB GLU 26 2HB GLU 26 13.414 8.070 -14.001 732 1HG GLU 26 1HG GLU 26 13.536 5.145 -13.786 733 2HG GLU 26 2HG GLU 26 11.914 5.758 -14.071 734 H TYR 27 H TYR 27 12.654 7.709 -10.918 735 HA TYR 27 HA TYR 27 13.006 5.469 -9.078 736 1HB TYR 27 2HB TYR 27 13.507 6.792 -7.131 737 2HB TYR 27 1HB TYR 27 14.669 7.252 -8.344 738 HD1 TYR 27 HD1 TYR 27 14.346 9.374 -9.684 739 HD2 TYR 27 HD2 TYR 27 11.887 8.377 -6.276 740 HE1 TYR 27 HE1 TYR 27 13.521 11.724 -9.591 741 HE2 TYR 27 HE2 TYR 27 11.072 10.732 -6.176 742 HH TYR 27 HH TYR 27 10.943 12.688 -7.371 743 H PHE 28 H PHE 28 11.262 5.940 -7.175 744 HA PHE 28 HA PHE 28 9.054 7.535 -8.246 745 1HB PHE 28 2HB PHE 28 8.423 5.600 -9.376 746 2HB PHE 28 1HB PHE 28 9.041 4.547 -8.135 747 HD1 PHE 28 HD1 PHE 28 6.727 7.485 -7.872 748 HD2 PHE 28 HD2 PHE 28 7.219 3.223 -7.405 749 HE1 PHE 28 HE1 PHE 28 4.525 7.358 -6.716 750 HE2 PHE 28 HE2 PHE 28 5.013 3.094 -6.259 751 HZ PHE 28 HZ PHE 28 3.656 5.158 -5.928 752 H TYR 29 H TYR 29 9.530 8.747 -6.274 753 HA TYR 29 HA TYR 29 9.536 7.675 -3.672 754 1HB TYR 29 1HB TYR 29 10.096 10.019 -4.138 755 2HB TYR 29 2HB TYR 29 8.419 10.340 -4.575 756 HD1 TYR 29 HD2 TYR 29 10.526 9.020 -1.758 757 HD2 TYR 29 HD1 TYR 29 6.880 11.015 -2.925 758 HE1 TYR 29 HE2 TYR 29 9.971 9.406 0.639 759 HE2 TYR 29 HE1 TYR 29 6.323 11.401 -0.527 760 HH TYR 29 HH TYR 29 6.888 10.387 1.683 761 H THR 30 H THR 30 7.979 6.894 -2.368 762 HA THR 30 HA THR 30 5.362 6.290 -3.447 763 HB THR 30 HB THR 30 6.328 6.101 -0.578 764 HG1 THR 30 HG1 THR 30 7.624 4.754 -1.600 765 1HG2 THR 30 2HG2 THR 30 4.006 4.886 -2.094 766 2HG2 THR 30 3HG2 THR 30 4.564 4.268 -0.539 767 3HG2 THR 30 1HG2 THR 30 3.936 5.911 -0.661 768 H SER 31 H SER 31 3.310 7.020 -2.493 769 HA SER 31 HA SER 31 3.247 9.887 -2.128 770 1HB SER 31 1HB SER 31 1.186 7.693 -1.944 771 2HB SER 31 2HB SER 31 0.786 9.351 -1.497 772 HG SER 31 HG SER 31 1.580 8.317 -3.990 773 H GLY 32 H GLY 32 1.898 7.430 0.097 774 1HA GLY 32 2HA GLY 32 3.367 7.804 2.380 775 2HA GLY 32 1HA GLY 32 2.334 9.233 2.364 776 H LYS 33 H LYS 33 1.732 5.811 1.489 777 HA LYS 33 HA LYS 33 -0.129 5.514 3.744 778 1HB LYS 33 1HB LYS 33 -2.043 4.934 2.225 779 2HB LYS 33 2HB LYS 33 -1.589 6.637 2.171 780 1HG LYS 33 2HG LYS 33 -0.782 6.483 0.031 781 2HG LYS 33 1HG LYS 33 -0.196 4.852 0.255 782 1HD LYS 33 1HD LYS 33 -2.249 3.894 -0.244 783 2HD LYS 33 2HD LYS 33 -3.148 5.317 0.281 784 1HE LYS 33 1HE LYS 33 -1.324 5.581 -2.077 785 2HE LYS 33 2HE LYS 33 -2.869 4.761 -2.301 786 1HZ LYS 33 1HZ LYS 33 -3.824 6.782 -1.076 787 2HZ LYS 33 2HZ LYS 33 -2.356 7.542 -1.466 788 3HZ LYS 33 3HZ LYS 33 -3.369 6.969 -2.702 789 H CYS 34 H CYS 34 2.315 4.221 2.435 790 HA CYS 34 HA CYS 34 1.149 1.493 2.062 791 1HB CYS 34 2HB CYS 34 3.736 2.698 1.062 792 2HB CYS 34 1HB CYS 34 3.377 0.992 0.962 793 H SER 35 H SER 35 2.304 3.235 4.505 794 HA SER 35 HA SER 35 3.439 2.740 6.493 795 1HB SER 35 1HB SER 35 1.821 0.588 5.889 796 2HB SER 35 2HB SER 35 3.398 -0.172 6.106 797 HG SER 35 HG SER 35 1.807 0.493 7.992 798 H ASN 36 H ASN 36 4.896 2.715 3.782 799 HA ASN 36 HA ASN 36 7.512 2.055 4.826 800 1HB ASN 36 1HB ASN 36 6.102 0.103 3.044 801 2HB ASN 36 2HB ASN 36 7.828 0.368 2.800 802 1HD2 ASN 36 2HD2 ASN 36 8.114 -0.210 6.515 803 2HD2 ASN 36 1HD2 ASN 36 9.116 0.231 5.218 804 HA PRO 37 HA PRO 37 6.929 5.152 1.340 805 1HB PRO 37 1HB PRO 37 8.797 6.796 2.841 806 2HB PRO 37 2HB PRO 37 7.119 7.153 2.416 807 1HG PRO 37 1HG PRO 37 8.143 6.439 5.000 808 2HG PRO 37 2HG PRO 37 6.471 6.727 4.564 809 1HD PRO 37 1HD PRO 37 7.715 4.210 5.195 810 2HD PRO 37 2HD PRO 37 6.025 4.499 4.737 811 H ALA 38 H ALA 38 8.636 5.706 -0.197 812 HA ALA 38 HA ALA 38 11.402 5.074 0.306 813 1HB ALA 38 2HB ALA 38 10.202 2.770 0.180 814 2HB ALA 38 3HB ALA 38 10.045 3.104 -1.546 815 3HB ALA 38 1HB ALA 38 11.644 2.996 -0.808 816 H VAL 39 H VAL 39 12.121 4.310 -2.281 817 HA VAL 39 HA VAL 39 10.973 6.352 -4.093 818 HB VAL 39 HB VAL 39 13.490 6.715 -4.817 819 1HG1 VAL 39 3HG1 VAL 39 12.232 7.963 -2.368 820 2HG1 VAL 39 1HG1 VAL 39 13.593 8.651 -3.251 821 3HG1 VAL 39 2HG1 VAL 39 12.024 8.489 -4.039 822 1HG2 VAL 39 3HG2 VAL 39 14.392 5.071 -3.172 823 2HG2 VAL 39 1HG2 VAL 39 15.049 6.694 -2.936 824 3HG2 VAL 39 2HG2 VAL 39 13.784 6.090 -1.861 825 H VAL 40 H VAL 40 10.054 4.565 -5.053 826 HA VAL 40 HA VAL 40 11.335 2.150 -5.627 827 HB VAL 40 HB VAL 40 8.909 3.564 -6.519 828 1HG1 VAL 40 2HG1 VAL 40 9.867 2.876 -8.707 829 2HG1 VAL 40 3HG1 VAL 40 9.991 1.225 -8.108 830 3HG1 VAL 40 1HG1 VAL 40 8.409 1.976 -8.309 831 1HG2 VAL 40 3HG2 VAL 40 9.759 0.907 -5.425 832 2HG2 VAL 40 1HG2 VAL 40 8.598 2.061 -4.767 833 3HG2 VAL 40 2HG2 VAL 40 8.161 1.066 -6.157 834 H PHE 41 H PHE 41 13.165 1.909 -6.717 835 HA PHE 41 HA PHE 41 13.971 3.816 -8.743 836 1HB PHE 41 1HB PHE 41 15.130 1.291 -7.592 837 2HB PHE 41 2HB PHE 41 15.760 1.895 -9.121 838 HD1 PHE 41 HD2 PHE 41 15.573 4.860 -8.694 839 HD2 PHE 41 HD1 PHE 41 16.872 1.700 -6.058 840 HE1 PHE 41 HE2 PHE 41 17.072 6.462 -7.514 841 HE2 PHE 41 HE1 PHE 41 18.385 3.296 -4.891 842 HZ PHE 41 HZ PHE 41 18.499 5.672 -5.623 843 H VAL 42 H VAL 42 13.866 3.634 -10.834 844 HA VAL 42 HA VAL 42 12.511 1.215 -11.968 845 HB VAL 42 HB VAL 42 12.231 3.346 -13.781 846 1HG1 VAL 42 1HG2 VAL 42 10.660 1.468 -13.188 847 2HG1 VAL 42 2HG2 VAL 42 10.252 2.362 -11.720 848 3HG1 VAL 42 3HG2 VAL 42 9.866 3.040 -13.304 849 1HG2 VAL 42 2HG1 VAL 42 11.517 4.236 -10.976 850 2HG2 VAL 42 3HG1 VAL 42 12.763 4.943 -11.993 851 3HG2 VAL 42 1HG1 VAL 42 11.074 5.077 -12.462 852 H THR 43 H THR 43 14.752 0.407 -12.102 853 HA THR 43 HA THR 43 16.791 1.873 -13.571 854 HB THR 43 HB THR 43 18.240 0.069 -13.006 855 HG1 THR 43 HG1 THR 43 15.981 -1.472 -12.309 856 1HG2 THR 43 2HG2 THR 43 17.408 1.413 -11.073 857 2HG2 THR 43 3HG2 THR 43 16.156 0.201 -10.810 858 3HG2 THR 43 1HG2 THR 43 17.854 -0.231 -10.621 859 H ARG 44 H ARG 44 18.114 -0.186 -14.911 860 HA ARG 44 HA ARG 44 17.186 0.076 -17.502 861 1HB ARG 44 1HB ARG 44 18.420 -2.193 -17.904 862 2HB ARG 44 2HB ARG 44 19.350 -0.804 -17.357 863 1HG ARG 44 1HG ARG 44 20.018 -1.979 -15.563 864 2HG ARG 44 2HG ARG 44 18.345 -2.110 -15.029 865 1HD ARG 44 1HD ARG 44 18.965 -4.357 -15.257 866 2HD ARG 44 2HD ARG 44 18.201 -4.025 -16.811 867 HE ARG 44 HE ARG 44 21.022 -3.464 -16.945 868 1HH1 ARG 44 1HH2 ARG 44 19.279 -5.252 -18.991 869 2HH1 ARG 44 2HH2 ARG 44 19.208 -6.715 -18.067 870 1HH2 ARG 44 1HH1 ARG 44 21.502 -6.616 -16.259 871 2HH2 ARG 44 2HH1 ARG 44 22.341 -5.986 -17.637 872 H LYS 45 H LYS 45 16.699 -2.919 -15.555 873 HA LYS 45 HA LYS 45 14.694 -4.013 -17.289 874 1HB LYS 45 1HB LYS 45 15.761 -5.318 -15.450 875 2HB LYS 45 2HB LYS 45 14.925 -4.308 -14.272 876 1HG LYS 45 1HG LYS 45 13.646 -6.353 -14.583 877 2HG LYS 45 2HG LYS 45 12.748 -5.014 -15.299 878 1HD LYS 45 1HD LYS 45 13.398 -5.635 -17.511 879 2HD LYS 45 2HD LYS 45 14.631 -6.745 -16.913 880 1HE LYS 45 1HE LYS 45 12.917 -8.218 -15.994 881 2HE LYS 45 2HE LYS 45 11.652 -7.076 -16.444 882 1HZ LYS 45 1HZ LYS 45 13.467 -8.009 -18.538 883 2HZ LYS 45 2HZ LYS 45 12.289 -9.094 -17.976 884 3HZ LYS 45 3HZ LYS 45 11.822 -7.599 -18.633 885 H ASN 46 H ASN 46 14.742 -1.613 -14.791 886 HA ASN 46 HA ASN 46 13.300 0.082 -14.235 887 1HB ASN 46 1HB ASN 46 12.569 -0.685 -16.928 888 2HB ASN 46 2HB ASN 46 11.101 -0.321 -16.029 889 1HD2 ASN 46 1HD2 ASN 46 11.604 2.955 -16.976 890 2HD2 ASN 46 2HD2 ASN 46 11.638 1.600 -17.999 891 H ARG 47 H ARG 47 12.857 -2.901 -13.471 892 HA ARG 47 HA ARG 47 10.056 -3.124 -12.848 893 1HB ARG 47 1HB ARG 47 12.581 -4.283 -11.745 894 2HB ARG 47 2HB ARG 47 11.176 -4.316 -10.708 895 1HG ARG 47 1HG ARG 47 11.136 -5.320 -13.559 896 2HG ARG 47 2HG ARG 47 11.464 -6.364 -12.175 897 1HD ARG 47 1HD ARG 47 9.077 -4.658 -11.871 898 2HD ARG 47 2HD ARG 47 8.957 -5.846 -13.168 899 HE ARG 47 HE ARG 47 9.688 -6.648 -10.379 900 1HH1 ARG 47 2HH1 ARG 47 6.834 -6.495 -12.060 901 2HH1 ARG 47 1HH1 ARG 47 6.886 -8.081 -12.755 902 1HH2 ARG 47 2HH2 ARG 47 9.553 -9.073 -10.750 903 2HH2 ARG 47 1HH2 ARG 47 7.949 -9.562 -11.184 904 H GLN 48 H GLN 48 9.164 -2.514 -10.580 905 HA GLN 48 HA GLN 48 10.319 0.111 -10.000 906 1HB GLN 48 1HB GLN 48 7.715 -1.196 -9.470 907 2HB GLN 48 2HB GLN 48 8.225 0.070 -8.348 908 1HG GLN 48 1HG GLN 48 8.622 1.595 -10.230 909 2HG GLN 48 2HG GLN 48 8.229 0.327 -11.377 910 1HE2 GLN 48 1HE2 GLN 48 5.384 2.313 -9.227 911 2HE2 GLN 48 2HE2 GLN 48 6.414 1.307 -8.326 912 H VAL 49 H VAL 49 12.178 -1.035 -9.313 913 HA VAL 49 HA VAL 49 12.507 -2.677 -7.100 914 HB VAL 49 HB VAL 49 14.534 -0.545 -7.453 915 1HG1 VAL 49 3HG1 VAL 49 14.330 -3.440 -6.912 916 2HG1 VAL 49 1HG1 VAL 49 15.765 -2.926 -7.800 917 3HG1 VAL 49 2HG1 VAL 49 15.417 -2.239 -6.212 918 1HG2 VAL 49 3HG2 VAL 49 13.599 -2.278 -9.738 919 2HG2 VAL 49 1HG2 VAL 49 14.219 -0.632 -9.800 920 3HG2 VAL 49 2HG2 VAL 49 15.325 -1.983 -9.565 921 H CYS 50 H CYS 50 13.919 -1.634 -5.135 922 HA CYS 50 HA CYS 50 12.390 0.652 -3.977 923 1HB CYS 50 2HB CYS 50 12.000 -1.954 -3.246 924 2HB CYS 50 1HB CYS 50 13.302 -1.527 -2.175 925 H ALA 51 H ALA 51 13.693 1.907 -2.408 926 HA ALA 51 HA ALA 51 16.416 0.979 -1.850 927 1HB ALA 51 3HB ALA 51 16.695 1.924 -4.109 928 2HB ALA 51 1HB ALA 51 15.989 3.445 -3.563 929 3HB ALA 51 2HB ALA 51 17.537 2.906 -2.912 930 H ASN 52 H ASN 52 13.908 2.008 -0.491 931 HA ASN 52 HA ASN 52 13.504 3.227 1.463 932 1HB ASN 52 1HB ASN 52 15.702 2.145 2.071 933 2HB ASN 52 2HB ASN 52 16.511 3.601 1.497 934 1HD2 ASN 52 2HD2 ASN 52 14.997 2.727 4.854 935 2HD2 ASN 52 1HD2 ASN 52 13.615 3.393 4.128 936 HA PRO 53 HA PRO 53 13.497 7.344 -0.140 937 1HB PRO 53 2HB PRO 53 12.245 8.547 2.026 938 2HB PRO 53 1HB PRO 53 11.395 7.670 0.752 939 1HG PRO 53 2HG PRO 53 11.864 6.871 3.554 940 2HG PRO 53 1HG PRO 53 10.715 6.209 2.389 941 1HD PRO 53 2HD PRO 53 13.223 5.072 3.205 942 2HD PRO 53 1HD PRO 53 12.111 4.444 1.998 943 H GLU 54 H GLU 54 14.164 7.154 3.381 944 HA GLU 54 HA GLU 54 16.132 9.363 3.064 945 1HB GLU 54 1HB GLU 54 16.026 9.433 5.577 946 2HB GLU 54 2HB GLU 54 14.480 9.752 4.789 947 1HG GLU 54 1HG GLU 54 13.537 7.875 5.645 948 2HG GLU 54 2HG GLU 54 14.963 6.898 5.299 949 H LYS 55 H LYS 55 17.400 7.392 1.996 950 HA LYS 55 HA LYS 55 18.969 6.055 4.158 951 1HB LYS 55 2HB LYS 55 17.824 5.005 1.757 952 2HB LYS 55 1HB LYS 55 19.579 4.890 1.645 953 1HG LYS 55 1HG LYS 55 18.386 4.129 4.256 954 2HG LYS 55 2HG LYS 55 18.065 3.037 2.908 955 1HD LYS 55 1HD LYS 55 20.316 2.518 2.620 956 2HD LYS 55 2HD LYS 55 20.863 4.033 3.338 957 1HE LYS 55 1HE LYS 55 20.016 3.214 5.556 958 2HE LYS 55 2HE LYS 55 19.655 1.664 4.796 959 1HZ LYS 55 3HZ LYS 55 22.340 2.772 4.447 960 2HZ LYS 55 1HZ LYS 55 21.947 2.117 5.964 961 3HZ LYS 55 2HZ LYS 55 21.842 1.153 4.568 962 H LYS 56 H LYS 56 19.236 8.802 2.993 963 HA LYS 56 HA LYS 56 20.973 10.243 2.410 964 1HB LYS 56 1HB LYS 56 22.398 7.826 3.446 965 2HB LYS 56 2HB LYS 56 23.342 9.069 2.627 966 1HG LYS 56 1HG LYS 56 22.507 10.770 4.161 967 2HG LYS 56 2HG LYS 56 21.436 9.597 4.927 968 1HD LYS 56 1HD LYS 56 23.494 8.244 5.511 969 2HD LYS 56 2HD LYS 56 24.466 9.603 4.945 970 1HE LYS 56 1HE LYS 56 24.272 9.997 7.263 971 2HE LYS 56 2HE LYS 56 23.025 11.031 6.567 972 1HZ LYS 56 2HZ LYS 56 21.512 9.020 6.894 973 2HZ LYS 56 3HZ LYS 56 22.716 8.437 7.941 974 3HZ LYS 56 1HZ LYS 56 21.945 9.914 8.271 975 H TRP 57 H TRP 57 22.772 7.434 1.268 976 HA TRP 57 HA TRP 57 23.480 8.462 -1.205 977 1HB TRP 57 1HB TRP 57 23.968 6.200 -1.885 978 2HB TRP 57 2HB TRP 57 24.366 6.375 -0.174 979 HD1 TRP 57 HD1 TRP 57 23.104 4.767 1.460 980 HE1 TRP 57 HE1 TRP 57 21.420 2.851 1.060 981 HE3 TRP 57 HE3 TRP 57 21.901 5.736 -3.358 982 HZ2 TRP 57 HZ2 TRP 57 19.789 1.833 -1.105 983 HZ3 TRP 57 HZ3 TRP 57 20.385 4.279 -4.614 984 HH2 TRP 57 HH2 TRP 57 19.316 2.323 -3.500 985 H VAL 58 H VAL 58 20.329 7.238 -0.355 986 HA VAL 58 HA VAL 58 19.536 6.935 -3.173 987 HB VAL 58 HB VAL 58 17.139 7.051 -1.948 988 1HG1 VAL 58 3HG1 VAL 58 18.511 5.171 -3.195 989 2HG1 VAL 58 1HG1 VAL 58 18.683 4.533 -1.558 990 3HG1 VAL 58 2HG1 VAL 58 17.080 4.777 -2.255 991 1HG2 VAL 58 1HG2 VAL 58 18.205 7.543 0.245 992 2HG2 VAL 58 2HG2 VAL 58 17.229 6.073 0.251 993 3HG2 VAL 58 3HG2 VAL 58 18.987 5.967 0.162 994 H ARG 59 H ARG 59 18.779 9.257 -0.556 995 HA ARG 59 HA ARG 59 17.192 10.959 -2.211 996 1HB ARG 59 1HB ARG 59 18.929 11.861 0.111 997 2HB ARG 59 2HB ARG 59 17.454 12.626 -0.482 998 1HG ARG 59 2HG ARG 59 16.262 10.448 0.077 999 2HG ARG 59 1HG ARG 59 17.713 9.960 0.916 1000 1HD ARG 59 1HD ARG 59 16.475 12.627 1.524 1001 2HD ARG 59 2HD ARG 59 15.810 11.166 2.255 1002 HE ARG 59 HE ARG 59 18.724 11.569 2.541 1003 1HH1 ARG 59 2HH2 ARG 59 16.446 13.349 4.478 1004 2HH1 ARG 59 1HH2 ARG 59 15.647 11.853 4.827 1005 1HH2 ARG 59 2HH1 ARG 59 18.268 10.113 5.070 1006 2HH2 ARG 59 1HH1 ARG 59 18.879 11.658 5.561 1007 H GLU 60 H GLU 60 20.614 10.454 -2.015 1008 HA GLU 60 HA GLU 60 21.238 12.983 -3.409 1009 1HB GLU 60 2HB GLU 60 22.676 11.123 -1.748 1010 2HB GLU 60 1HB GLU 60 23.511 11.286 -3.273 1011 1HG GLU 60 1HG GLU 60 22.705 13.889 -2.543 1012 2HG GLU 60 2HG GLU 60 23.359 13.164 -1.095 1013 H TYR 61 H TYR 61 20.575 9.673 -4.134 1014 HA TYR 61 HA TYR 61 21.956 9.722 -6.734 1015 1HB TYR 61 1HB TYR 61 20.315 7.732 -5.201 1016 2HB TYR 61 2HB TYR 61 20.485 7.523 -6.925 1017 HD1 TYR 61 HD1 TYR 61 23.087 9.054 -4.753 1018 HD2 TYR 61 HD2 TYR 61 21.831 5.502 -6.873 1019 HE1 TYR 61 HE1 TYR 61 25.323 8.032 -4.368 1020 HE2 TYR 61 HE2 TYR 61 24.080 4.492 -6.491 1021 HH TYR 61 HH TYR 61 25.990 4.906 -4.585 1022 H ILE 62 H ILE 62 18.595 9.340 -5.637 1023 HA ILE 62 HA ILE 62 17.225 9.638 -8.036 1024 HB ILE 62 HB ILE 62 16.613 10.481 -5.198 1025 1HG1 ILE 62 2HG1 ILE 62 14.728 8.686 -5.950 1026 2HG1 ILE 62 1HG1 ILE 62 16.053 8.195 -7.005 1027 1HG2 ILE 62 2HG2 ILE 62 15.225 11.339 -7.633 1028 2HG2 ILE 62 3HG2 ILE 62 14.173 10.491 -6.501 1029 3HG2 ILE 62 1HG2 ILE 62 15.059 11.923 -5.978 1030 1HD1 ILE 62 3HD1 ILE 62 16.462 8.671 -4.049 1031 2HD1 ILE 62 1HD1 ILE 62 15.957 7.103 -4.677 1032 3HD1 ILE 62 2HD1 ILE 62 17.505 7.791 -5.167 1033 H ASN 63 H ASN 63 18.201 12.293 -5.828 1034 HA ASN 63 HA ASN 63 17.289 14.453 -7.386 1035 1HB ASN 63 2HB ASN 63 18.816 14.158 -5.072 1036 2HB ASN 63 1HB ASN 63 19.880 15.000 -6.171 1037 1HD2 ASN 63 1HD2 ASN 63 17.136 16.984 -4.229 1038 2HD2 ASN 63 2HD2 ASN 63 16.738 15.347 -4.436 1039 H SER 64 H SER 64 20.404 12.725 -7.570 1040 HA SER 64 HA SER 64 21.641 14.329 -9.542 1041 1HB SER 64 1HB SER 64 21.822 11.375 -8.950 1042 2HB SER 64 2HB SER 64 22.786 12.125 -10.199 1043 HG SER 64 HG SER 64 24.078 12.516 -8.589 1044 H LEU 65 H LEU 65 19.274 11.711 -9.874 1045 HA LEU 65 HA LEU 65 19.367 11.536 -12.732 1046 1HB LEU 65 1HB LEU 65 17.034 10.992 -10.877 1047 2HB LEU 65 2HB LEU 65 17.179 10.432 -12.524 1048 HG LEU 65 HG LEU 65 19.251 9.780 -10.429 1049 1HD1 LEU 65 3HD1 LEU 65 16.697 8.985 -10.121 1050 2HD1 LEU 65 1HD1 LEU 65 17.240 7.743 -11.250 1051 3HD1 LEU 65 2HD1 LEU 65 18.063 7.950 -9.704 1052 1HD2 LEU 65 3HD2 LEU 65 18.828 9.220 -13.264 1053 2HD2 LEU 65 1HD2 LEU 65 20.279 9.002 -12.286 1054 3HD2 LEU 65 2HD2 LEU 65 19.042 7.745 -12.321 1055 H GLU 66 H GLU 66 17.515 12.275 -14.167 1056 HA GLU 66 HA GLU 66 16.494 14.940 -13.270 1057 1HB GLU 66 1HB GLU 66 16.760 15.709 -15.615 1058 2HB GLU 66 2HB GLU 66 18.304 15.238 -14.905 1059 1HG GLU 66 1HG GLU 66 17.198 12.886 -16.023 1060 2HG GLU 66 2HG GLU 66 16.978 14.154 -17.229 1061 H MET 67 H MET 67 14.433 15.556 -14.221 1062 HA MET 67 HA MET 67 12.493 13.503 -14.290 1063 1HB MET 67 1HB MET 67 12.489 16.300 -14.461 1064 2HB MET 67 2HB MET 67 11.732 15.760 -15.960 1065 1HG MET 67 1HG MET 67 10.848 14.275 -13.576 1066 2HG MET 67 2HG MET 67 10.437 15.989 -13.540 1067 1HE MET 67 1HE MET 67 10.023 16.986 -16.231 1068 2HE MET 67 3HE MET 67 8.341 16.628 -16.620 1069 3HE MET 67 2HE MET 67 8.777 17.160 -14.995 1070 H SER 68 H SER 68 12.041 12.005 -15.829 1071 HA SER 68 HA SER 68 12.067 10.889 -17.894 1072 1HB SER 68 1HB SER 68 11.880 13.783 -18.752 1073 2HB SER 68 2HB SER 68 11.859 12.456 -19.913 1074 HG SER 68 HG SER 68 10.091 11.587 -18.661 No H/Q in entry = 1074 Start of MODEL 3 1 H SER 1 H SER 1 17.549 -15.283 1.216 2 HA SER 1 HA SER 1 15.726 -17.405 0.198 3 1HB SER 1 1HB SER 1 13.951 -15.456 0.940 4 2HB SER 1 2HB SER 1 14.314 -16.886 1.907 5 HG SER 1 HG SER 1 14.666 -15.194 3.239 6 HA PRO 2 HA PRO 2 15.443 -15.039 -3.473 7 1HB PRO 2 1HB PRO 2 12.567 -14.871 -3.621 8 2HB PRO 2 2HB PRO 2 13.635 -15.974 -4.495 9 1HG PRO 2 1HG PRO 2 11.856 -16.598 -2.310 10 2HG PRO 2 2HG PRO 2 12.924 -17.701 -3.183 11 1HD PRO 2 1HD PRO 2 13.235 -16.690 -0.499 12 2HD PRO 2 2HD PRO 2 14.306 -17.799 -1.376 13 H TYR 3 H TYR 3 15.949 -12.888 -3.383 14 HA TYR 3 HA TYR 3 14.577 -11.070 -1.564 15 1HB TYR 3 1HB TYR 3 16.995 -11.063 -3.149 16 2HB TYR 3 2HB TYR 3 16.092 -9.572 -3.415 17 HD1 TYR 3 HD1 TYR 3 14.772 -9.036 -0.887 18 HD2 TYR 3 HD2 TYR 3 18.720 -10.629 -1.611 19 HE1 TYR 3 HE1 TYR 3 15.520 -8.189 1.335 20 HE2 TYR 3 HE2 TYR 3 19.468 -9.782 0.612 21 HH TYR 3 HH TYR 3 18.907 -8.319 2.312 22 H SER 4 H SER 4 13.880 -8.846 -2.606 23 HA SER 4 HA SER 4 12.807 -8.836 -5.267 24 1HB SER 4 1HB SER 4 11.289 -10.532 -4.175 25 2HB SER 4 2HB SER 4 10.750 -9.258 -3.082 26 HG SER 4 HG SER 4 10.381 -9.512 -5.852 27 H SER 5 H SER 5 14.258 -7.069 -3.506 28 HA SER 5 HA SER 5 12.670 -5.059 -2.296 29 1HB SER 5 1HB SER 5 15.348 -4.834 -3.703 30 2HB SER 5 2HB SER 5 14.640 -3.561 -2.710 31 HG SER 5 HG SER 5 15.242 -6.199 -1.863 32 H ASP 6 H ASP 6 10.863 -4.507 -3.561 33 HA ASP 6 HA ASP 6 11.305 -2.524 -5.623 34 1HB ASP 6 1HB ASP 6 10.347 -3.728 -7.507 35 2HB ASP 6 2HB ASP 6 11.716 -4.649 -6.893 36 H THR 7 H THR 7 8.684 -3.017 -6.880 37 HA THR 7 HA THR 7 7.122 -1.643 -4.895 38 HB THR 7 HB THR 7 6.742 -1.117 -7.219 39 HG1 THR 7 HG1 THR 7 4.777 -0.888 -6.548 40 1HG2 THR 7 3HG2 THR 7 6.325 -4.096 -7.452 41 2HG2 THR 7 1HG2 THR 7 5.674 -2.988 -8.661 42 3HG2 THR 7 2HG2 THR 7 7.415 -3.064 -8.379 43 H THR 8 H THR 8 4.819 -2.463 -4.408 44 HA THR 8 HA THR 8 4.738 -5.419 -4.086 45 HB THR 8 HB THR 8 3.846 -3.689 -1.802 46 HG1 THR 8 HG1 THR 8 6.488 -4.648 -2.055 47 1HG2 THR 8 1HG2 THR 8 4.200 -6.484 -2.389 48 2HG2 THR 8 2HG2 THR 8 5.235 -6.042 -1.031 49 3HG2 THR 8 3HG2 THR 8 3.498 -5.744 -0.951 50 HA PRO 9 HA PRO 9 0.826 -4.057 -5.915 51 1HB PRO 9 1HB PRO 9 0.144 -6.860 -6.119 52 2HB PRO 9 2HB PRO 9 0.570 -5.746 -7.423 53 1HG PRO 9 2HG PRO 9 2.186 -7.867 -6.318 54 2HG PRO 9 1HG PRO 9 2.603 -6.775 -7.616 55 1HD PRO 9 2HD PRO 9 3.652 -6.801 -4.969 56 2HD PRO 9 1HD PRO 9 4.023 -5.656 -6.271 57 H CYS 10 H CYS 10 0.015 -3.282 -3.863 58 HA CYS 10 HA CYS 10 -1.844 -5.178 -2.585 59 1HB CYS 10 2HB CYS 10 -1.059 -4.675 -0.315 60 2HB CYS 10 1HB CYS 10 0.235 -5.403 -1.261 61 H CYS 11 H CYS 11 -3.618 -4.188 -1.721 62 HA CYS 11 HA CYS 11 -4.064 -1.456 -2.589 63 1HB CYS 11 1HB CYS 11 -6.113 -2.361 -2.777 64 2HB CYS 11 2HB CYS 11 -5.668 -3.740 -1.788 65 H PHE 12 H PHE 12 -4.975 0.188 -1.011 66 HA PHE 12 HA PHE 12 -3.542 0.010 1.611 67 1HB PHE 12 2HB PHE 12 -2.581 1.761 0.199 68 2HB PHE 12 1HB PHE 12 -4.164 2.441 -0.090 69 HD1 PHE 12 HD1 PHE 12 -2.609 1.139 3.068 70 HD2 PHE 12 HD2 PHE 12 -4.218 4.551 0.969 71 HE1 PHE 12 HE1 PHE 12 -2.437 2.500 5.149 72 HE2 PHE 12 HE2 PHE 12 -4.042 5.914 3.050 73 HZ PHE 12 HZ PHE 12 -3.153 4.888 5.140 74 H ALA 13 H ALA 13 -6.109 2.115 0.282 75 HA ALA 13 HA ALA 13 -7.671 1.648 2.767 76 1HB ALA 13 2HB ALA 13 -7.513 3.804 0.735 77 2HB ALA 13 3HB ALA 13 -9.122 3.477 1.380 78 3HB ALA 13 1HB ALA 13 -7.807 3.917 2.470 79 H TYR 14 H TYR 14 -9.827 0.888 2.694 80 HA TYR 14 HA TYR 14 -10.463 -0.450 0.130 81 1HB TYR 14 2HB TYR 14 -12.025 -1.831 1.824 82 2HB TYR 14 1HB TYR 14 -10.362 -2.291 1.472 83 HD1 TYR 14 HD2 TYR 14 -8.498 -1.414 2.993 84 HD2 TYR 14 HD1 TYR 14 -12.686 -1.210 4.015 85 HE1 TYR 14 HE2 TYR 14 -7.896 -1.039 5.372 86 HE2 TYR 14 HE1 TYR 14 -12.083 -0.837 6.403 87 HH TYR 14 HH TYR 14 -9.947 -1.453 7.886 88 H ILE 15 H ILE 15 -12.697 -0.531 -0.543 89 HA ILE 15 HA ILE 15 -14.134 1.934 0.066 90 HB ILE 15 HB ILE 15 -14.127 0.981 -2.213 91 1HG1 ILE 15 2HG1 ILE 15 -16.894 0.802 -1.006 92 2HG1 ILE 15 1HG1 ILE 15 -16.089 2.314 -1.343 93 1HG2 ILE 15 3HG2 ILE 15 -14.499 -1.435 -0.857 94 2HG2 ILE 15 1HG2 ILE 15 -16.034 -1.157 -1.680 95 3HG2 ILE 15 2HG2 ILE 15 -14.534 -1.206 -2.605 96 1HD1 ILE 15 3HD1 ILE 15 -15.764 1.023 -3.725 97 2HD1 ILE 15 1HD1 ILE 15 -17.322 0.384 -3.206 98 3HD1 ILE 15 2HD1 ILE 15 -17.097 2.124 -3.380 99 H ALA 16 H ALA 16 -16.488 1.852 0.710 100 HA ALA 16 HA ALA 16 -16.901 -0.299 2.744 101 1HB ALA 16 2HB ALA 16 -16.788 2.366 3.219 102 2HB ALA 16 3HB ALA 16 -18.511 2.192 2.885 103 3HB ALA 16 1HB ALA 16 -17.766 1.260 4.183 104 H ARG 17 H ARG 17 -17.743 -1.493 0.726 105 HA ARG 17 HA ARG 17 -20.562 -1.665 0.806 106 1HB ARG 17 2HB ARG 17 -19.626 0.523 -0.785 107 2HB ARG 17 1HB ARG 17 -20.328 -0.687 -1.860 108 1HG ARG 17 1HG ARG 17 -22.430 -0.565 -0.836 109 2HG ARG 17 2HG ARG 17 -21.770 0.086 0.664 110 1HD ARG 17 1HD ARG 17 -22.196 2.170 -0.071 111 2HD ARG 17 2HD ARG 17 -21.101 1.905 -1.427 112 HE ARG 17 HE ARG 17 -24.047 1.572 -1.494 113 1HH1 ARG 17 2HH2 ARG 17 -24.329 0.025 -3.458 114 2HH1 ARG 17 1HH2 ARG 17 -23.128 0.190 -4.696 115 1HH2 ARG 17 1HH1 ARG 17 -21.741 3.029 -3.216 116 2HH2 ARG 17 2HH1 ARG 17 -21.991 2.202 -4.717 117 HA PRO 18 HA PRO 18 -18.927 -5.376 -1.079 118 1HB PRO 18 1HB PRO 18 -21.575 -6.372 -1.543 119 2HB PRO 18 2HB PRO 18 -20.445 -6.859 -0.286 120 1HG PRO 18 2HG PRO 18 -22.834 -5.244 -0.010 121 2HG PRO 18 1HG PRO 18 -21.751 -5.817 1.263 122 1HD PRO 18 1HD PRO 18 -22.000 -3.143 0.289 123 2HD PRO 18 2HD PRO 18 -20.845 -3.737 1.468 124 H LEU 19 H LEU 19 -18.218 -5.347 -3.122 125 HA LEU 19 HA LEU 19 -19.517 -3.859 -5.222 126 1HB LEU 19 2HB LEU 19 -17.265 -5.873 -5.249 127 2HB LEU 19 1HB LEU 19 -17.747 -4.957 -6.654 128 HG LEU 19 HG LEU 19 -16.835 -3.764 -4.028 129 1HD1 LEU 19 2HD1 LEU 19 -15.013 -4.896 -5.257 130 2HD1 LEU 19 3HD1 LEU 19 -15.419 -3.968 -6.701 131 3HD1 LEU 19 1HD1 LEU 19 -14.800 -3.146 -5.269 132 1HD2 LEU 19 2HD2 LEU 19 -18.099 -2.675 -6.449 133 2HD2 LEU 19 3HD2 LEU 19 -17.940 -1.956 -4.846 134 3HD2 LEU 19 1HD2 LEU 19 -16.608 -1.846 -5.999 135 HA PRO 20 HA PRO 20 -22.377 -7.055 -6.461 136 1HB PRO 20 1HB PRO 20 -22.511 -5.983 -9.143 137 2HB PRO 20 2HB PRO 20 -23.710 -5.837 -7.852 138 1HG PRO 20 1HG PRO 20 -21.973 -3.781 -8.868 139 2HG PRO 20 2HG PRO 20 -23.133 -3.650 -7.542 140 1HD PRO 20 1HD PRO 20 -20.244 -3.738 -7.387 141 2HD PRO 20 2HD PRO 20 -21.406 -3.549 -6.060 142 H ARG 21 H ARG 21 -21.708 -9.081 -7.067 143 HA ARG 21 HA ARG 21 -19.228 -9.681 -8.240 144 1HB ARG 21 2HB ARG 21 -21.784 -11.294 -8.374 145 2HB ARG 21 1HB ARG 21 -20.192 -11.916 -8.733 146 1HG ARG 21 1HG ARG 21 -20.101 -12.441 -6.530 147 2HG ARG 21 2HG ARG 21 -19.806 -10.737 -6.281 148 1HD ARG 21 2HD ARG 21 -21.768 -10.522 -5.207 149 2HD ARG 21 1HD ARG 21 -22.624 -11.140 -6.618 150 HE ARG 21 HE ARG 21 -21.386 -13.061 -4.704 151 1HH1 ARG 21 1HH1 ARG 21 -23.799 -13.077 -7.152 152 2HH1 ARG 21 2HH1 ARG 21 -24.105 -14.575 -6.338 153 1HH2 ARG 21 1HH2 ARG 21 -23.618 -13.443 -3.262 154 2HH2 ARG 21 2HH2 ARG 21 -24.985 -12.872 -4.159 155 H ALA 22 H ALA 22 -22.218 -8.737 -9.783 156 HA ALA 22 HA ALA 22 -21.495 -9.678 -12.425 157 1HB ALA 22 3HB ALA 22 -23.845 -9.082 -11.567 158 2HB ALA 22 1HB ALA 22 -23.388 -7.399 -11.833 159 3HB ALA 22 2HB ALA 22 -23.430 -8.526 -13.189 160 H HIS 23 H HIS 23 -21.138 -6.592 -10.706 161 HA HIS 23 HA HIS 23 -20.051 -5.240 -13.041 162 1HB HIS 23 1HB HIS 23 -19.896 -4.473 -10.112 163 2HB HIS 23 2HB HIS 23 -19.526 -3.421 -11.476 164 HD2 HIS 23 HD2 HIS 23 -22.646 -5.574 -12.148 165 HE1 HIS 23 HE1 HIS 23 -24.036 -1.792 -10.870 166 HE2 HIS 23 HE2 HIS 23 -24.724 -4.017 -11.896 167 H ILE 24 H ILE 24 -18.733 -7.305 -10.564 168 HA ILE 24 HA ILE 24 -16.000 -6.324 -11.086 169 HB ILE 24 HB ILE 24 -16.736 -8.708 -9.412 170 1HG1 ILE 24 2HG1 ILE 24 -16.532 -5.809 -8.549 171 2HG1 ILE 24 1HG1 ILE 24 -18.015 -6.758 -8.601 172 1HG2 ILE 24 1HG2 ILE 24 -14.316 -7.138 -9.995 173 2HG2 ILE 24 2HG2 ILE 24 -14.578 -7.464 -8.288 174 3HG2 ILE 24 3HG2 ILE 24 -14.469 -8.802 -9.428 175 1HD1 ILE 24 1HD1 ILE 24 -16.110 -8.282 -7.144 176 2HD1 ILE 24 2HD1 ILE 24 -16.033 -6.633 -6.518 177 3HD1 ILE 24 3HD1 ILE 24 -17.568 -7.504 -6.522 178 H LYS 25 H LYS 25 -14.285 -7.940 -11.716 179 HA LYS 25 HA LYS 25 -15.436 -10.067 -13.484 180 1HB LYS 25 1HB LYS 25 -13.049 -8.266 -13.979 181 2HB LYS 25 2HB LYS 25 -13.467 -9.654 -14.984 182 1HG LYS 25 1HG LYS 25 -15.705 -7.800 -14.464 183 2HG LYS 25 2HG LYS 25 -14.389 -7.109 -15.412 184 1HD LYS 25 1HD LYS 25 -14.517 -8.982 -16.994 185 2HD LYS 25 2HD LYS 25 -15.787 -9.731 -16.027 186 1HE LYS 25 1HE LYS 25 -17.120 -8.614 -17.538 187 2HE LYS 25 2HE LYS 25 -16.909 -7.314 -16.366 188 1HZ LYS 25 1HZ LYS 25 -14.762 -6.914 -17.816 189 2HZ LYS 25 2HZ LYS 25 -15.720 -7.645 -19.012 190 3HZ LYS 25 3HZ LYS 25 -16.262 -6.236 -18.233 191 H GLU 26 H GLU 26 -12.921 -9.178 -11.187 192 HA GLU 26 HA GLU 26 -12.371 -11.987 -10.641 193 1HB GLU 26 2HB GLU 26 -9.775 -11.271 -10.993 194 2HB GLU 26 1HB GLU 26 -10.698 -12.101 -12.200 195 1HG GLU 26 2HG GLU 26 -10.975 -9.160 -12.246 196 2HG GLU 26 1HG GLU 26 -9.367 -9.762 -12.625 197 H TYR 27 H TYR 27 -9.945 -11.587 -9.214 198 HA TYR 27 HA TYR 27 -10.210 -9.218 -7.610 199 1HB TYR 27 1HB TYR 27 -10.831 -10.234 -5.528 200 2HB TYR 27 2HB TYR 27 -11.988 -10.808 -6.701 201 HD1 TYR 27 HD2 TYR 27 -11.624 -13.112 -7.779 202 HD2 TYR 27 HD1 TYR 27 -9.408 -11.734 -4.341 203 HE1 TYR 27 HE2 TYR 27 -10.916 -15.454 -7.296 204 HE2 TYR 27 HE1 TYR 27 -8.694 -14.072 -3.862 205 HH TYR 27 HH TYR 27 -9.106 -16.623 -6.112 206 H PHE 28 H PHE 28 -8.604 -9.679 -5.522 207 HA PHE 28 HA PHE 28 -6.423 -11.434 -6.343 208 1HB PHE 28 1HB PHE 28 -5.768 -9.614 -7.710 209 2HB PHE 28 2HB PHE 28 -6.219 -8.426 -6.491 210 HD1 PHE 28 HD1 PHE 28 -4.188 -11.569 -6.161 211 HD2 PHE 28 HD2 PHE 28 -4.247 -7.258 -5.941 212 HE1 PHE 28 HE1 PHE 28 -1.905 -11.589 -5.160 213 HE2 PHE 28 HE2 PHE 28 -1.964 -7.278 -4.950 214 HZ PHE 28 HZ PHE 28 -0.785 -9.441 -4.567 215 H TYR 29 H TYR 29 -7.100 -12.287 -4.193 216 HA TYR 29 HA TYR 29 -7.003 -10.790 -1.785 217 1HB TYR 29 1HB TYR 29 -7.889 -13.066 -1.856 218 2HB TYR 29 2HB TYR 29 -6.297 -13.697 -2.262 219 HD1 TYR 29 HD1 TYR 29 -7.578 -11.219 0.270 220 HD2 TYR 29 HD2 TYR 29 -5.321 -14.824 -0.467 221 HE1 TYR 29 HE1 TYR 29 -7.010 -11.359 2.693 222 HE2 TYR 29 HE2 TYR 29 -4.753 -14.965 1.955 223 HH TYR 29 HH TYR 29 -5.417 -14.178 4.053 224 H THR 30 H THR 30 -5.350 -9.976 -0.654 225 HA THR 30 HA THR 30 -2.645 -10.088 -1.746 226 HB THR 30 HB THR 30 -3.214 -8.999 0.987 227 HG1 THR 30 HG1 THR 30 -3.904 -7.059 -0.226 228 1HG2 THR 30 3HG2 THR 30 -1.257 -8.703 -1.165 229 2HG2 THR 30 1HG2 THR 30 -1.866 -7.148 -0.597 230 3HG2 THR 30 2HG2 THR 30 -1.120 -8.271 0.540 231 H SER 31 H SER 31 -0.827 -11.085 -0.768 232 HA SER 31 HA SER 31 -1.466 -13.457 0.838 233 1HB SER 31 1HB SER 31 0.216 -13.518 -1.008 234 2HB SER 31 2HB SER 31 1.232 -12.417 -0.078 235 HG SER 31 HG SER 31 1.084 -14.036 1.634 236 H GLY 32 H GLY 32 1.055 -10.947 1.270 237 1HA GLY 32 1HA GLY 32 0.294 -9.989 3.780 238 2HA GLY 32 2HA GLY 32 1.220 -11.433 4.112 239 H LYS 33 H LYS 33 1.564 -8.773 1.739 240 HA LYS 33 HA LYS 33 4.455 -8.672 2.434 241 1HB LYS 33 2HB LYS 33 2.990 -7.320 0.148 242 2HB LYS 33 1HB LYS 33 4.737 -7.444 0.351 243 1HG LYS 33 1HG LYS 33 3.286 -10.014 0.444 244 2HG LYS 33 2HG LYS 33 3.239 -9.205 -1.104 245 1HD LYS 33 2HD LYS 33 5.901 -9.016 -0.046 246 2HD LYS 33 1HD LYS 33 5.383 -10.701 0.003 247 1HE LYS 33 1HE LYS 33 4.684 -9.254 -2.481 248 2HE LYS 33 2HE LYS 33 6.413 -9.486 -2.217 249 1HZ LYS 33 1HZ LYS 33 4.509 -11.714 -1.874 250 2HZ LYS 33 2HZ LYS 33 5.120 -11.319 -3.409 251 3HZ LYS 33 3HZ LYS 33 6.181 -11.778 -2.165 252 H CYS 34 H CYS 34 2.127 -6.146 1.420 253 HA CYS 34 HA CYS 34 3.461 -4.127 2.991 254 1HB CYS 34 2HB CYS 34 0.603 -3.975 2.014 255 2HB CYS 34 1HB CYS 34 1.733 -2.647 2.275 256 H SER 35 H SER 35 1.861 -2.777 4.548 257 HA SER 35 HA SER 35 1.043 -4.726 6.633 258 1HB SER 35 1HB SER 35 1.752 -1.804 6.628 259 2HB SER 35 2HB SER 35 0.806 -2.472 7.957 260 HG SER 35 HG SER 35 2.907 -2.713 8.535 261 H ASN 36 H ASN 36 -0.575 -4.158 4.194 262 HA ASN 36 HA ASN 36 -3.077 -3.373 5.611 263 1HB ASN 36 2HB ASN 36 -1.868 -2.124 3.189 264 2HB ASN 36 1HB ASN 36 -3.615 -2.364 3.182 265 1HD2 ASN 36 2HD2 ASN 36 -1.656 -0.091 5.926 266 2HD2 ASN 36 1HD2 ASN 36 -1.319 0.054 4.270 267 HA PRO 37 HA PRO 37 -3.238 -7.396 3.183 268 1HB PRO 37 1HB PRO 37 -4.806 -8.405 5.403 269 2HB PRO 37 2HB PRO 37 -3.232 -8.970 4.832 270 1HG PRO 37 2HG PRO 37 -3.792 -7.464 7.221 271 2HG PRO 37 1HG PRO 37 -2.212 -7.987 6.623 272 1HD PRO 37 1HD PRO 37 -3.288 -5.316 6.653 273 2HD PRO 37 2HD PRO 37 -1.719 -5.837 6.055 274 H ALA 38 H ALA 38 -5.109 -7.983 1.993 275 HA ALA 38 HA ALA 38 -7.786 -7.363 2.805 276 1HB ALA 38 3HB ALA 38 -6.828 -5.042 2.446 277 2HB ALA 38 1HB ALA 38 -6.659 -5.460 0.742 278 3HB ALA 38 2HB ALA 38 -8.259 -5.412 1.484 279 H VAL 39 H VAL 39 -8.587 -6.657 -0.005 280 HA VAL 39 HA VAL 39 -7.680 -8.987 -1.545 281 HB VAL 39 HB VAL 39 -9.870 -9.351 0.014 282 1HG1 VAL 39 3HG1 VAL 39 -10.961 -7.457 -1.473 283 2HG1 VAL 39 1HG1 VAL 39 -11.203 -8.790 -2.602 284 3HG1 VAL 39 2HG1 VAL 39 -11.901 -8.868 -0.985 285 1HG2 VAL 39 2HG2 VAL 39 -8.871 -10.494 -2.501 286 2HG2 VAL 39 3HG2 VAL 39 -9.277 -11.288 -0.980 287 3HG2 VAL 39 1HG2 VAL 39 -10.552 -10.884 -2.129 288 H VAL 40 H VAL 40 -7.715 -8.417 -3.702 289 HA VAL 40 HA VAL 40 -8.734 -5.661 -4.159 290 HB VAL 40 HB VAL 40 -6.285 -7.099 -5.076 291 1HG1 VAL 40 2HG1 VAL 40 -7.403 -6.242 -7.151 292 2HG1 VAL 40 3HG1 VAL 40 -7.404 -4.637 -6.424 293 3HG1 VAL 40 1HG1 VAL 40 -5.878 -5.439 -6.791 294 1HG2 VAL 40 2HG2 VAL 40 -7.044 -4.404 -3.937 295 2HG2 VAL 40 3HG2 VAL 40 -6.088 -5.675 -3.164 296 3HG2 VAL 40 1HG2 VAL 40 -5.413 -4.762 -4.515 297 H PHE 41 H PHE 41 -10.594 -5.691 -5.203 298 HA PHE 41 HA PHE 41 -11.183 -7.780 -7.144 299 1HB PHE 41 1HB PHE 41 -12.710 -5.431 -6.057 300 2HB PHE 41 2HB PHE 41 -13.304 -6.327 -7.432 301 HD1 PHE 41 HD2 PHE 41 -13.794 -8.810 -7.209 302 HD2 PHE 41 HD1 PHE 41 -12.791 -6.322 -3.827 303 HE1 PHE 41 HE2 PHE 41 -14.790 -10.499 -5.673 304 HE2 PHE 41 HE1 PHE 41 -13.737 -8.035 -2.292 305 HZ PHE 41 HZ PHE 41 -14.792 -10.095 -3.212 306 H VAL 42 H VAL 42 -11.125 -7.629 -9.235 307 HA VAL 42 HA VAL 42 -10.144 -5.077 -10.440 308 HB VAL 42 HB VAL 42 -9.789 -7.110 -12.307 309 1HG1 VAL 42 3HG2 VAL 42 -8.094 -5.556 -10.413 310 2HG1 VAL 42 1HG2 VAL 42 -7.330 -6.855 -11.329 311 3HG1 VAL 42 2HG2 VAL 42 -8.111 -5.521 -12.178 312 1HG2 VAL 42 3HG1 VAL 42 -10.162 -8.798 -10.522 313 2HG2 VAL 42 1HG1 VAL 42 -8.518 -8.851 -11.149 314 3HG2 VAL 42 2HG1 VAL 42 -8.850 -8.081 -9.598 315 H THR 43 H THR 43 -12.420 -4.383 -10.515 316 HA THR 43 HA THR 43 -14.432 -5.998 -11.851 317 HB THR 43 HB THR 43 -15.966 -4.299 -11.274 318 HG1 THR 43 HG1 THR 43 -13.700 -2.601 -11.253 319 1HG2 THR 43 1HG2 THR 43 -14.711 -5.365 -9.316 320 2HG2 THR 43 2HG2 THR 43 -13.780 -3.871 -9.226 321 3HG2 THR 43 3HG2 THR 43 -15.525 -3.840 -8.974 322 H ARG 44 H ARG 44 -15.882 -4.013 -13.229 323 HA ARG 44 HA ARG 44 -15.088 -4.415 -15.842 324 1HB ARG 44 2HB ARG 44 -16.394 -2.223 -16.324 325 2HB ARG 44 1HB ARG 44 -17.256 -3.555 -15.598 326 1HG ARG 44 1HG ARG 44 -16.141 -2.098 -13.446 327 2HG ARG 44 2HG ARG 44 -16.821 -0.907 -14.549 328 1HD ARG 44 1HD ARG 44 -18.977 -1.986 -14.496 329 2HD ARG 44 2HD ARG 44 -18.323 -3.364 -13.610 330 HE ARG 44 HE ARG 44 -18.221 -1.993 -11.627 331 1HH1 ARG 44 2HH1 ARG 44 -17.586 0.529 -13.328 332 2HH1 ARG 44 1HH1 ARG 44 -19.015 1.472 -13.069 333 1HH2 ARG 44 2HH2 ARG 44 -21.059 -0.880 -12.280 334 2HH2 ARG 44 1HH2 ARG 44 -20.459 0.340 -11.208 335 H LYS 45 H LYS 45 -14.524 -1.308 -14.092 336 HA LYS 45 HA LYS 45 -12.725 -0.216 -16.018 337 1HB LYS 45 2HB LYS 45 -13.164 0.175 -13.078 338 2HB LYS 45 1HB LYS 45 -11.676 0.811 -13.780 339 1HG LYS 45 1HG LYS 45 -12.971 2.078 -15.434 340 2HG LYS 45 2HG LYS 45 -14.471 1.400 -14.804 341 1HD LYS 45 1HD LYS 45 -14.451 3.368 -13.605 342 2HD LYS 45 2HD LYS 45 -13.483 2.380 -12.510 343 1HE LYS 45 1HE LYS 45 -11.734 3.766 -12.796 344 2HE LYS 45 2HE LYS 45 -11.749 3.437 -14.529 345 1HZ LYS 45 1HZ LYS 45 -13.570 5.116 -14.691 346 2HZ LYS 45 2HZ LYS 45 -13.262 5.530 -13.074 347 3HZ LYS 45 3HZ LYS 45 -12.058 5.751 -14.250 348 H ASN 46 H ASN 46 -12.429 -2.567 -13.499 349 HA ASN 46 HA ASN 46 -10.912 -4.229 -13.099 350 1HB ASN 46 2HB ASN 46 -10.538 -3.553 -15.863 351 2HB ASN 46 1HB ASN 46 -8.946 -3.808 -15.150 352 1HD2 ASN 46 1HD2 ASN 46 -10.027 -6.930 -16.459 353 2HD2 ASN 46 2HD2 ASN 46 -8.590 -6.153 -15.996 354 H ARG 47 H ARG 47 -10.375 -1.153 -12.556 355 HA ARG 47 HA ARG 47 -7.514 -1.033 -12.159 356 1HB ARG 47 2HB ARG 47 -9.770 0.594 -11.478 357 2HB ARG 47 1HB ARG 47 -8.894 0.252 -9.990 358 1HG ARG 47 1HG ARG 47 -6.865 1.162 -10.865 359 2HG ARG 47 2HG ARG 47 -7.509 1.199 -12.506 360 1HD ARG 47 1HD ARG 47 -9.363 2.714 -11.210 361 2HD ARG 47 2HD ARG 47 -7.922 3.097 -10.269 362 HE ARG 47 HE ARG 47 -8.155 3.524 -13.219 363 1HH1 ARG 47 1HH1 ARG 47 -5.173 3.639 -12.150 364 2HH1 ARG 47 2HH1 ARG 47 -5.418 4.630 -10.750 365 1HH2 ARG 47 1HH2 ARG 47 -7.793 6.304 -11.518 366 2HH2 ARG 47 2HH2 ARG 47 -6.977 6.306 -13.047 367 H GLN 48 H GLN 48 -6.635 -1.334 -9.737 368 HA GLN 48 HA GLN 48 -7.779 -3.910 -8.953 369 1HB GLN 48 1HB GLN 48 -5.174 -2.606 -8.578 370 2HB GLN 48 2HB GLN 48 -5.710 -3.600 -7.240 371 1HG GLN 48 1HG GLN 48 -6.152 -5.456 -8.768 372 2HG GLN 48 2HG GLN 48 -5.747 -4.468 -10.139 373 1HE2 GLN 48 1HE2 GLN 48 -2.274 -5.013 -9.833 374 2HE2 GLN 48 2HE2 GLN 48 -3.460 -4.034 -10.552 375 H VAL 49 H VAL 49 -9.673 -2.782 -8.394 376 HA VAL 49 HA VAL 49 -10.000 -0.944 -6.307 377 HB VAL 49 HB VAL 49 -12.048 -3.077 -6.561 378 1HG1 VAL 49 1HG1 VAL 49 -11.981 -0.064 -6.536 379 2HG1 VAL 49 2HG1 VAL 49 -13.469 -0.988 -6.740 380 3HG1 VAL 49 3HG1 VAL 49 -12.536 -1.135 -5.249 381 1HG2 VAL 49 2HG2 VAL 49 -11.210 -1.302 -8.874 382 2HG2 VAL 49 3HG2 VAL 49 -11.529 -3.034 -8.920 383 3HG2 VAL 49 1HG2 VAL 49 -12.861 -1.895 -8.727 384 H CYS 50 H CYS 50 -10.778 -1.386 -4.103 385 HA CYS 50 HA CYS 50 -9.640 -3.915 -3.003 386 1HB CYS 50 2HB CYS 50 -8.623 -1.522 -2.486 387 2HB CYS 50 1HB CYS 50 -9.953 -1.435 -1.364 388 H ALA 51 H ALA 51 -10.722 -4.226 -0.632 389 HA ALA 51 HA ALA 51 -13.299 -3.205 -0.101 390 1HB ALA 51 1HB ALA 51 -13.283 -4.975 -2.322 391 2HB ALA 51 2HB ALA 51 -14.051 -5.829 -0.983 392 3HB ALA 51 3HB ALA 51 -14.682 -4.270 -1.513 393 H ASN 52 H ASN 52 -10.977 -4.152 1.352 394 HA ASN 52 HA ASN 52 -10.606 -5.239 3.388 395 1HB ASN 52 1HB ASN 52 -12.939 -4.374 3.809 396 2HB ASN 52 2HB ASN 52 -13.553 -5.919 3.228 397 1HD2 ASN 52 2HD2 ASN 52 -12.530 -4.818 6.671 398 2HD2 ASN 52 1HD2 ASN 52 -10.987 -5.244 6.107 399 HA PRO 53 HA PRO 53 -10.050 -9.426 2.029 400 1HB PRO 53 1HB PRO 53 -8.813 -10.362 4.320 401 2HB PRO 53 2HB PRO 53 -7.994 -9.421 3.088 402 1HG PRO 53 1HG PRO 53 -8.832 -8.600 5.801 403 2HG PRO 53 2HG PRO 53 -7.629 -7.874 4.754 404 1HD PRO 53 1HD PRO 53 -10.278 -6.931 5.228 405 2HD PRO 53 2HD PRO 53 -9.125 -6.288 4.069 406 H GLU 54 H GLU 54 -10.809 -9.284 5.533 407 HA GLU 54 HA GLU 54 -12.536 -11.677 5.208 408 1HB GLU 54 1HB GLU 54 -10.820 -10.611 7.305 409 2HB GLU 54 2HB GLU 54 -12.417 -11.029 7.923 410 1HG GLU 54 1HG GLU 54 -12.162 -13.273 7.451 411 2HG GLU 54 2HG GLU 54 -11.109 -12.969 6.069 412 H LYS 55 H LYS 55 -13.728 -9.402 4.169 413 HA LYS 55 HA LYS 55 -15.566 -8.370 6.254 414 1HB LYS 55 2HB LYS 55 -14.590 -7.408 3.719 415 2HB LYS 55 1HB LYS 55 -16.336 -7.398 3.729 416 1HG LYS 55 1HG LYS 55 -14.780 -6.321 6.071 417 2HG LYS 55 2HG LYS 55 -15.098 -5.312 4.660 418 1HD LYS 55 1HD LYS 55 -17.336 -5.155 5.113 419 2HD LYS 55 2HD LYS 55 -17.427 -6.800 5.744 420 1HE LYS 55 1HE LYS 55 -16.525 -6.142 7.855 421 2HE LYS 55 2HE LYS 55 -16.023 -4.572 7.231 422 1HZ LYS 55 3HZ LYS 55 -18.532 -4.307 6.737 423 2HZ LYS 55 1HZ LYS 55 -18.722 -5.525 7.905 424 3HZ LYS 55 2HZ LYS 55 -17.963 -4.062 8.319 425 H LYS 56 H LYS 56 -15.574 -11.204 5.218 426 HA LYS 56 HA LYS 56 -17.176 -12.828 4.746 427 1HB LYS 56 1HB LYS 56 -19.035 -10.511 5.333 428 2HB LYS 56 2HB LYS 56 -19.579 -12.165 5.064 429 1HG LYS 56 1HG LYS 56 -18.392 -12.964 6.982 430 2HG LYS 56 2HG LYS 56 -17.501 -11.451 7.145 431 1HD LYS 56 1HD LYS 56 -19.299 -11.523 8.803 432 2HD LYS 56 2HD LYS 56 -19.649 -10.274 7.608 433 1HE LYS 56 1HE LYS 56 -20.678 -12.998 7.005 434 2HE LYS 56 2HE LYS 56 -21.457 -12.147 8.339 435 1HZ LYS 56 1HZ LYS 56 -20.975 -10.614 5.912 436 2HZ LYS 56 2HZ LYS 56 -22.170 -11.816 5.820 437 3HZ LYS 56 3HZ LYS 56 -22.298 -10.578 6.976 438 H TRP 57 H TRP 57 -19.186 -10.249 3.405 439 HA TRP 57 HA TRP 57 -19.859 -11.475 1.032 440 1HB TRP 57 1HB TRP 57 -20.438 -9.329 0.152 441 2HB TRP 57 2HB TRP 57 -20.742 -9.284 1.890 442 HD1 TRP 57 HD1 TRP 57 -19.543 -7.386 3.176 443 HE1 TRP 57 HE1 TRP 57 -17.944 -5.498 2.438 444 HE3 TRP 57 HE3 TRP 57 -18.340 -9.099 -1.432 445 HZ2 TRP 57 HZ2 TRP 57 -16.327 -4.822 0.132 446 HZ3 TRP 57 HZ3 TRP 57 -16.884 -7.815 -2.933 447 HH2 TRP 57 HH2 TRP 57 -15.886 -5.669 -2.170 448 H VAL 58 H VAL 58 -16.870 -9.613 1.540 449 HA VAL 58 HA VAL 58 -15.951 -9.590 -1.129 450 HB VAL 58 HB VAL 58 -13.593 -9.942 0.059 451 1HG1 VAL 58 1HG1 VAL 58 -14.939 -7.856 -0.859 452 2HG1 VAL 58 2HG1 VAL 58 -15.003 -7.447 0.850 453 3HG1 VAL 58 3HG1 VAL 58 -13.445 -7.658 0.046 454 1HG2 VAL 58 3HG2 VAL 58 -15.203 -10.463 2.191 455 2HG2 VAL 58 1HG2 VAL 58 -13.543 -9.882 2.305 456 3HG2 VAL 58 2HG2 VAL 58 -14.883 -8.743 2.396 457 H ARG 59 H ARG 59 -15.373 -12.133 1.321 458 HA ARG 59 HA ARG 59 -14.041 -13.899 -0.512 459 1HB ARG 59 2HB ARG 59 -15.473 -14.397 2.114 460 2HB ARG 59 1HB ARG 59 -14.611 -15.656 1.230 461 1HG ARG 59 2HG ARG 59 -12.523 -14.455 1.419 462 2HG ARG 59 1HG ARG 59 -13.341 -13.041 2.085 463 1HD ARG 59 1HD ARG 59 -13.969 -14.291 4.081 464 2HD ARG 59 2HD ARG 59 -13.297 -15.773 3.402 465 HE ARG 59 HE ARG 59 -11.587 -13.402 4.042 466 1HH1 ARG 59 2HH1 ARG 59 -12.254 -16.806 4.894 467 2HH1 ARG 59 1HH1 ARG 59 -11.079 -16.364 6.087 468 1HH2 ARG 59 2HH2 ARG 59 -9.382 -14.431 3.701 469 2HH2 ARG 59 1HH2 ARG 59 -9.266 -16.119 4.075 470 H GLU 60 H GLU 60 -17.388 -13.237 0.216 471 HA GLU 60 HA GLU 60 -18.521 -15.633 -0.893 472 1HB GLU 60 2HB GLU 60 -19.667 -12.836 -0.647 473 2HB GLU 60 1HB GLU 60 -20.603 -14.267 -1.081 474 1HG GLU 60 1HG GLU 60 -19.707 -15.302 1.099 475 2HG GLU 60 2HG GLU 60 -19.210 -13.666 1.533 476 H TYR 61 H TYR 61 -17.156 -12.760 -2.298 477 HA TYR 61 HA TYR 61 -18.284 -13.463 -4.961 478 1HB TYR 61 1HB TYR 61 -16.575 -11.072 -4.209 479 2HB TYR 61 2HB TYR 61 -17.467 -11.301 -5.709 480 HD1 TYR 61 HD2 TYR 61 -19.770 -12.691 -3.685 481 HD2 TYR 61 HD1 TYR 61 -17.907 -8.830 -4.241 482 HE1 TYR 61 HE2 TYR 61 -21.741 -11.591 -2.639 483 HE2 TYR 61 HE1 TYR 61 -19.888 -7.735 -3.198 484 HH TYR 61 HH TYR 61 -22.825 -9.278 -2.745 485 H ILE 62 H ILE 62 -15.376 -13.573 -3.058 486 HA ILE 62 HA ILE 62 -13.421 -13.743 -5.111 487 HB ILE 62 HB ILE 62 -13.603 -14.970 -2.348 488 1HG1 ILE 62 1HG1 ILE 62 -11.820 -12.789 -3.444 489 2HG1 ILE 62 2HG1 ILE 62 -13.353 -12.475 -2.671 490 1HG2 ILE 62 2HG2 ILE 62 -11.797 -15.683 -4.490 491 2HG2 ILE 62 3HG2 ILE 62 -10.907 -14.912 -3.177 492 3HG2 ILE 62 1HG2 ILE 62 -11.893 -16.338 -2.857 493 1HD1 ILE 62 3HD1 ILE 62 -12.078 -14.209 -0.908 494 2HD1 ILE 62 1HD1 ILE 62 -10.784 -13.149 -1.467 495 3HD1 ILE 62 2HD1 ILE 62 -12.223 -12.462 -0.713 496 H ASN 63 H ASN 63 -15.337 -16.344 -3.562 497 HA ASN 63 HA ASN 63 -14.295 -18.337 -5.439 498 1HB ASN 63 1HB ASN 63 -14.948 -18.870 -3.068 499 2HB ASN 63 2HB ASN 63 -16.628 -18.583 -3.520 500 1HD2 ASN 63 2HD2 ASN 63 -17.195 -21.684 -4.549 501 2HD2 ASN 63 1HD2 ASN 63 -16.789 -21.194 -2.975 502 H SER 64 H SER 64 -17.368 -16.603 -4.951 503 HA SER 64 HA SER 64 -18.870 -17.920 -6.967 504 1HB SER 64 1HB SER 64 -19.953 -16.417 -5.399 505 2HB SER 64 2HB SER 64 -19.001 -15.054 -5.988 506 HG SER 64 HG SER 64 -20.999 -16.520 -7.345 507 H LEU 65 H LEU 65 -16.218 -15.717 -7.250 508 HA LEU 65 HA LEU 65 -16.833 -14.617 -9.829 509 1HB LEU 65 2HB LEU 65 -14.444 -14.826 -8.087 510 2HB LEU 65 1HB LEU 65 -14.115 -14.648 -9.811 511 HG LEU 65 HG LEU 65 -16.042 -12.858 -8.312 512 1HD1 LEU 65 1HD1 LEU 65 -13.090 -12.488 -8.893 513 2HD1 LEU 65 2HD1 LEU 65 -14.166 -11.185 -8.387 514 3HD1 LEU 65 3HD1 LEU 65 -13.858 -12.544 -7.306 515 1HD2 LEU 65 1HD2 LEU 65 -16.214 -13.062 -10.818 516 2HD2 LEU 65 2HD2 LEU 65 -15.823 -11.434 -10.262 517 3HD2 LEU 65 3HD2 LEU 65 -14.556 -12.467 -10.927 518 H GLU 66 H GLU 66 -16.084 -15.292 -11.904 519 HA GLU 66 HA GLU 66 -15.263 -18.167 -12.033 520 1HB GLU 66 1HB GLU 66 -17.242 -16.579 -13.636 521 2HB GLU 66 2HB GLU 66 -16.391 -17.916 -14.409 522 1HG GLU 66 1HG GLU 66 -17.789 -18.233 -11.748 523 2HG GLU 66 2HG GLU 66 -18.627 -18.481 -13.279 524 H MET 67 H MET 67 -13.067 -17.983 -12.403 525 HA MET 67 HA MET 67 -12.268 -16.371 -14.791 526 1HB MET 67 1HB MET 67 -11.392 -16.089 -12.060 527 2HB MET 67 2HB MET 67 -10.032 -16.593 -13.064 528 1HG MET 67 1HG MET 67 -11.725 -14.533 -14.309 529 2HG MET 67 2HG MET 67 -10.932 -14.000 -12.826 530 1HE MET 67 1HE MET 67 -10.692 -15.879 -15.989 531 2HE MET 67 3HE MET 67 -10.352 -14.298 -16.692 532 3HE MET 67 2HE MET 67 -9.110 -15.551 -16.695 533 H SER 68 H SER 68 -12.946 -19.212 -14.620 534 HA SER 68 HA SER 68 -10.389 -20.655 -14.677 535 1HB SER 68 1HB SER 68 -12.526 -21.699 -13.866 536 2HB SER 68 2HB SER 68 -13.139 -21.618 -15.518 537 HG SER 68 HG SER 68 -10.701 -22.873 -14.822 538 H SER 1 H SER 1 -14.427 12.781 0.253 539 HA SER 1 HA SER 1 -12.652 14.740 -1.112 540 1HB SER 1 1HB SER 1 -10.844 12.896 -0.189 541 2HB SER 1 2HB SER 1 -11.151 14.456 0.574 542 HG SER 1 HG SER 1 -11.425 12.960 2.148 543 HA PRO 2 HA PRO 2 -12.595 11.893 -4.431 544 1HB PRO 2 1HB PRO 2 -9.733 11.696 -4.736 545 2HB PRO 2 2HB PRO 2 -10.863 12.665 -5.690 546 1HG PRO 2 1HG PRO 2 -8.953 13.592 -3.734 547 2HG PRO 2 2HG PRO 2 -10.085 14.562 -4.685 548 1HD PRO 2 1HD PRO 2 -10.214 13.945 -1.870 549 2HD PRO 2 2HD PRO 2 -11.352 14.915 -2.824 550 H TYR 3 H TYR 3 -13.095 9.785 -3.996 551 HA TYR 3 HA TYR 3 -11.597 8.228 -2.037 552 1HB TYR 3 1HB TYR 3 -14.117 8.016 -3.440 553 2HB TYR 3 2HB TYR 3 -13.231 6.496 -3.555 554 HD1 TYR 3 HD1 TYR 3 -11.740 6.313 -1.071 555 HD2 TYR 3 HD2 TYR 3 -15.734 7.808 -1.744 556 HE1 TYR 3 HE1 TYR 3 -12.334 5.790 1.293 557 HE2 TYR 3 HE2 TYR 3 -16.328 7.287 0.621 558 HH TYR 3 HH TYR 3 -15.647 6.074 2.468 559 H SER 4 H SER 4 -10.965 5.876 -2.801 560 HA SER 4 HA SER 4 -10.075 5.485 -5.500 561 1HB SER 4 1HB SER 4 -8.493 7.310 -4.764 562 2HB SER 4 2HB SER 4 -7.875 6.200 -3.541 563 HG SER 4 HG SER 4 -7.696 6.062 -6.339 564 H SER 5 H SER 5 -11.396 3.990 -3.416 565 HA SER 5 HA SER 5 -9.721 2.162 -2.045 566 1HB SER 5 1HB SER 5 -12.488 1.757 -3.221 567 2HB SER 5 2HB SER 5 -11.709 0.633 -2.109 568 HG SER 5 HG SER 5 -12.262 3.368 -1.604 569 H ASP 6 H ASP 6 -8.002 1.429 -3.341 570 HA ASP 6 HA ASP 6 -8.574 -0.822 -5.068 571 1HB ASP 6 1HB ASP 6 -7.748 0.101 -7.164 572 2HB ASP 6 2HB ASP 6 -9.078 1.105 -6.594 573 H THR 7 H THR 7 -6.045 -0.523 -6.556 574 HA THR 7 HA THR 7 -4.345 -1.612 -4.507 575 HB THR 7 HB THR 7 -4.121 -2.461 -6.755 576 HG1 THR 7 HG1 THR 7 -2.113 -2.603 -6.190 577 1HG2 THR 7 3HG2 THR 7 -3.732 0.454 -7.430 578 2HG2 THR 7 1HG2 THR 7 -3.162 -0.816 -8.513 579 3HG2 THR 7 2HG2 THR 7 -4.879 -0.690 -8.126 580 H THR 8 H THR 8 -2.020 -0.743 -4.298 581 HA THR 8 HA THR 8 -1.930 2.229 -4.398 582 HB THR 8 HB THR 8 -0.878 0.833 -1.959 583 HG1 THR 8 HG1 THR 8 -3.536 1.760 -2.165 584 1HG2 THR 8 1HG2 THR 8 -1.284 3.518 -2.908 585 2HG2 THR 8 2HG2 THR 8 -2.222 3.278 -1.435 586 3HG2 THR 8 3HG2 THR 8 -0.483 2.985 -1.431 587 HA PRO 9 HA PRO 9 1.856 0.603 -6.277 588 1HB PRO 9 1HB PRO 9 2.511 3.346 -6.919 589 2HB PRO 9 2HB PRO 9 2.002 2.062 -8.022 590 1HG PRO 9 1HG PRO 9 0.455 4.326 -7.119 591 2HG PRO 9 2HG PRO 9 -0.043 3.064 -8.220 592 1HD PRO 9 2HD PRO 9 -0.911 3.468 -5.538 593 2HD PRO 9 1HD PRO 9 -1.365 2.152 -6.638 594 H CYS 10 H CYS 10 2.806 0.121 -4.196 595 HA CYS 10 HA CYS 10 4.740 2.168 -3.326 596 1HB CYS 10 2HB CYS 10 4.113 1.993 -0.960 597 2HB CYS 10 1HB CYS 10 2.754 2.588 -1.910 598 H CYS 11 H CYS 11 6.573 1.300 -2.452 599 HA CYS 11 HA CYS 11 6.971 -1.529 -2.957 600 1HB CYS 11 1HB CYS 11 8.999 -0.670 -3.408 601 2HB CYS 11 2HB CYS 11 8.616 0.837 -2.595 602 H PHE 12 H PHE 12 7.994 -2.939 -1.229 603 HA PHE 12 HA PHE 12 6.740 -2.385 1.433 604 1HB PHE 12 1HB PHE 12 5.693 -4.313 0.351 605 2HB PHE 12 2HB PHE 12 7.255 -5.036 0.054 606 HD1 PHE 12 HD1 PHE 12 5.913 -3.294 3.095 607 HD2 PHE 12 HD2 PHE 12 7.391 -6.976 1.393 608 HE1 PHE 12 HE1 PHE 12 5.888 -4.348 5.355 609 HE2 PHE 12 HE2 PHE 12 7.363 -8.031 3.652 610 HZ PHE 12 HZ PHE 12 6.613 -6.717 5.632 611 H ALA 13 H ALA 13 9.220 -4.672 0.245 612 HA ALA 13 HA ALA 13 10.944 -3.868 2.527 613 1HB ALA 13 2HB ALA 13 10.658 -6.287 0.835 614 2HB ALA 13 3HB ALA 13 12.305 -5.881 1.316 615 3HB ALA 13 1HB ALA 13 11.070 -6.156 2.545 616 H TYR 14 H TYR 14 13.088 -3.138 2.204 617 HA TYR 14 HA TYR 14 13.543 -2.174 -0.559 618 1HB TYR 14 2HB TYR 14 15.210 -0.578 0.817 619 2HB TYR 14 1HB TYR 14 13.524 -0.163 0.517 620 HD1 TYR 14 HD2 TYR 14 11.771 -0.810 2.269 621 HD2 TYR 14 HD1 TYR 14 16.020 -0.891 3.025 622 HE1 TYR 14 HE2 TYR 14 11.333 -0.845 4.712 623 HE2 TYR 14 HE1 TYR 14 15.581 -0.921 5.476 624 HH TYR 14 HH TYR 14 13.547 -0.089 6.997 625 H ILE 15 H ILE 15 15.726 -2.202 -1.386 626 HA ILE 15 HA ILE 15 17.212 -4.564 -0.536 627 HB ILE 15 HB ILE 15 17.046 -3.941 -2.920 628 1HG1 ILE 15 1HG1 ILE 15 19.889 -3.607 -1.939 629 2HG1 ILE 15 2HG1 ILE 15 19.069 -5.149 -2.006 630 1HG2 ILE 15 3HG2 ILE 15 17.499 -1.360 -1.946 631 2HG2 ILE 15 1HG2 ILE 15 18.976 -1.759 -2.824 632 3HG2 ILE 15 2HG2 ILE 15 17.416 -1.834 -3.643 633 1HD1 ILE 15 3HD1 ILE 15 18.578 -4.204 -4.519 634 2HD1 ILE 15 1HD1 ILE 15 20.166 -3.506 -4.200 635 3HD1 ILE 15 2HD1 ILE 15 19.936 -5.252 -4.112 636 H ALA 16 H ALA 16 19.603 -4.405 -0.069 637 HA ALA 16 HA ALA 16 20.144 -1.990 1.610 638 1HB ALA 16 2HB ALA 16 20.075 -4.562 2.460 639 2HB ALA 16 3HB ALA 16 21.770 -4.445 1.990 640 3HB ALA 16 1HB ALA 16 21.111 -3.336 3.190 641 H ARG 17 H ARG 17 20.841 -1.098 -0.610 642 HA ARG 17 HA ARG 17 23.658 -0.930 -0.745 643 1HB ARG 17 2HB ARG 17 22.627 -3.314 -1.946 644 2HB ARG 17 1HB ARG 17 23.250 -2.272 -3.225 645 1HG ARG 17 1HG ARG 17 25.417 -2.258 -2.338 646 2HG ARG 17 2HG ARG 17 24.862 -2.688 -0.720 647 1HD ARG 17 1HD ARG 17 25.247 -4.857 -1.181 648 2HD ARG 17 2HD ARG 17 24.061 -4.781 -2.484 649 HE ARG 17 HE ARG 17 26.994 -4.475 -2.796 650 1HH1 ARG 17 2HH2 ARG 17 27.137 -3.222 -4.973 651 2HH1 ARG 17 1HH2 ARG 17 25.857 -3.553 -6.091 652 1HH2 ARG 17 1HH1 ARG 17 24.584 -6.148 -4.136 653 2HH2 ARG 17 2HH1 ARG 17 24.729 -5.541 -5.752 654 HA PRO 18 HA PRO 18 21.884 2.488 -3.020 655 1HB PRO 18 1HB PRO 18 24.491 3.394 -3.796 656 2HB PRO 18 2HB PRO 18 23.446 4.061 -2.547 657 1HG PRO 18 2HG PRO 18 25.855 2.486 -2.207 658 2HG PRO 18 1HG PRO 18 24.857 3.239 -0.958 659 1HD PRO 18 2HD PRO 18 25.050 0.455 -1.559 660 2HD PRO 18 1HD PRO 18 23.976 1.215 -0.401 661 H LEU 19 H LEU 19 21.037 2.169 -4.987 662 HA LEU 19 HA LEU 19 22.209 0.396 -6.935 663 1HB LEU 19 1HB LEU 19 19.947 2.393 -7.118 664 2HB LEU 19 2HB LEU 19 20.346 1.269 -8.394 665 HG LEU 19 HG LEU 19 19.608 0.493 -5.565 666 1HD1 LEU 19 2HD1 LEU 19 17.703 1.445 -6.816 667 2HD1 LEU 19 3HD1 LEU 19 18.015 0.320 -8.139 668 3HD1 LEU 19 1HD1 LEU 19 17.495 -0.289 -6.568 669 1HD2 LEU 19 2HD2 LEU 19 20.706 -0.949 -7.880 670 2HD2 LEU 19 3HD2 LEU 19 20.656 -1.426 -6.182 671 3HD2 LEU 19 1HD2 LEU 19 19.250 -1.692 -7.215 672 HA PRO 20 HA PRO 20 24.954 3.376 -8.804 673 1HB PRO 20 1HB PRO 20 24.907 1.938 -11.312 674 2HB PRO 20 2HB PRO 20 26.195 1.970 -10.101 675 1HG PRO 20 1HG PRO 20 24.407 -0.202 -10.694 676 2HG PRO 20 2HG PRO 20 25.655 -0.148 -9.445 677 1HD PRO 20 1HD PRO 20 22.781 -0.029 -9.111 678 2HD PRO 20 2HD PRO 20 24.030 -0.035 -7.852 679 H ARG 21 H ARG 21 24.248 5.299 -9.654 680 HA ARG 21 HA ARG 21 21.682 5.740 -10.718 681 1HB ARG 21 1HB ARG 21 24.215 7.307 -11.251 682 2HB ARG 21 2HB ARG 21 22.599 7.880 -11.584 683 1HG ARG 21 2HG ARG 21 22.656 8.709 -9.475 684 2HG ARG 21 1HG ARG 21 22.387 7.058 -8.971 685 1HD ARG 21 2HD ARG 21 24.419 6.987 -8.012 686 2HD ARG 21 1HD ARG 21 25.174 7.397 -9.551 687 HE ARG 21 HE ARG 21 24.059 9.574 -7.848 688 1HH1 ARG 21 1HH1 ARG 21 26.303 9.233 -10.429 689 2HH1 ARG 21 2HH1 ARG 21 26.656 10.829 -9.857 690 1HH2 ARG 21 1HH2 ARG 21 26.382 10.143 -6.627 691 2HH2 ARG 21 2HH2 ARG 21 27.688 9.445 -7.525 692 H ALA 22 H ALA 22 24.565 4.575 -12.311 693 HA ALA 22 HA ALA 22 23.661 5.137 -15.005 694 1HB ALA 22 3HB ALA 22 26.067 4.659 -14.231 695 2HB ALA 22 1HB ALA 22 25.603 2.957 -14.226 696 3HB ALA 22 2HB ALA 22 25.548 3.882 -15.726 697 H HIS 23 H HIS 23 23.427 2.335 -12.841 698 HA HIS 23 HA HIS 23 22.196 0.668 -14.886 699 1HB HIS 23 1HB HIS 23 22.245 0.321 -11.876 700 2HB HIS 23 2HB HIS 23 21.788 -0.910 -13.051 701 HD2 HIS 23 HD2 HIS 23 24.846 1.113 -14.227 702 HE1 HIS 23 HE1 HIS 23 26.333 -2.465 -12.533 703 HE2 HIS 23 HE2 HIS 23 26.941 -0.407 -13.903 704 H ILE 24 H ILE 24 21.040 3.066 -12.638 705 HA ILE 24 HA ILE 24 18.281 2.037 -12.835 706 HB ILE 24 HB ILE 24 19.124 4.626 -11.559 707 1HG1 ILE 24 2HG1 ILE 24 18.918 1.898 -10.267 708 2HG1 ILE 24 1HG1 ILE 24 20.429 2.757 -10.570 709 1HG2 ILE 24 1HG2 ILE 24 16.667 3.015 -11.763 710 2HG2 ILE 24 2HG2 ILE 24 17.038 3.586 -10.143 711 3HG2 ILE 24 3HG2 ILE 24 16.858 4.743 -11.460 712 1HD1 ILE 24 1HD1 ILE 24 18.662 4.553 -9.233 713 2HD1 ILE 24 2HD1 ILE 24 18.621 3.024 -8.354 714 3HD1 ILE 24 3HD1 ILE 24 20.158 3.849 -8.615 715 H LYS 25 H LYS 25 16.525 3.553 -13.578 716 HA LYS 25 HA LYS 25 17.546 5.403 -15.700 717 1HB LYS 25 1HB LYS 25 15.141 3.560 -15.775 718 2HB LYS 25 2HB LYS 25 15.483 4.792 -16.992 719 1HG LYS 25 1HG LYS 25 17.762 3.021 -16.366 720 2HG LYS 25 2HG LYS 25 16.387 2.208 -17.117 721 1HD LYS 25 1HD LYS 25 16.398 3.841 -18.951 722 2HD LYS 25 2HD LYS 25 17.729 4.710 -18.188 723 1HE LYS 25 1HE LYS 25 18.959 3.385 -19.615 724 2HE LYS 25 2HE LYS 25 18.834 2.265 -18.259 725 1HZ LYS 25 1HZ LYS 25 16.595 1.676 -19.487 726 2HZ LYS 25 2HZ LYS 25 17.466 2.225 -20.838 727 3HZ LYS 25 3HZ LYS 25 18.065 0.937 -19.907 728 H GLU 26 H GLU 26 15.199 4.859 -13.138 729 HA GLU 26 HA GLU 26 14.662 7.717 -12.968 730 1HB GLU 26 1HB GLU 26 12.056 6.998 -13.066 731 2HB GLU 26 2HB GLU 26 12.913 7.576 -14.457 732 1HG GLU 26 2HG GLU 26 13.178 4.680 -14.012 733 2HG GLU 26 1HG GLU 26 11.543 5.223 -14.367 734 H TYR 27 H TYR 27 12.327 7.502 -11.332 735 HA TYR 27 HA TYR 27 12.729 5.401 -9.402 736 1HB TYR 27 2HB TYR 27 13.546 6.697 -7.571 737 2HB TYR 27 1HB TYR 27 14.569 7.118 -8.917 738 HD1 TYR 27 HD2 TYR 27 14.117 9.249 -10.233 739 HD2 TYR 27 HD1 TYR 27 12.152 8.346 -6.496 740 HE1 TYR 27 HE2 TYR 27 13.420 11.633 -10.023 741 HE2 TYR 27 HE1 TYR 27 11.449 10.729 -6.291 742 HH TYR 27 HH TYR 27 11.703 12.955 -8.894 743 H PHE 28 H PHE 28 11.268 6.168 -7.308 744 HA PHE 28 HA PHE 28 9.036 7.810 -8.221 745 1HB PHE 28 1HB PHE 28 8.294 5.823 -9.273 746 2HB PHE 28 2HB PHE 28 8.829 4.813 -7.933 747 HD1 PHE 28 HD1 PHE 28 6.812 7.983 -7.914 748 HD2 PHE 28 HD2 PHE 28 6.903 3.746 -7.094 749 HE1 PHE 28 HE1 PHE 28 4.601 8.154 -6.776 750 HE2 PHE 28 HE2 PHE 28 4.691 3.916 -5.966 751 HZ PHE 28 HZ PHE 28 3.531 6.118 -5.816 752 H TYR 29 H TYR 29 9.848 8.953 -6.263 753 HA TYR 29 HA TYR 29 9.913 7.811 -3.668 754 1HB TYR 29 1HB TYR 29 10.785 10.049 -4.120 755 2HB TYR 29 2HB TYR 29 9.167 10.626 -4.502 756 HD1 TYR 29 HD1 TYR 29 10.632 8.525 -1.740 757 HD2 TYR 29 HD2 TYR 29 8.303 11.995 -2.821 758 HE1 TYR 29 HE1 TYR 29 10.233 9.008 0.672 759 HE2 TYR 29 HE2 TYR 29 7.902 12.478 -0.410 760 HH TYR 29 HH TYR 29 8.713 11.993 1.726 761 H THR 30 H THR 30 8.343 7.175 -2.326 762 HA THR 30 HA THR 30 5.573 7.146 -3.243 763 HB THR 30 HB THR 30 6.328 6.447 -0.429 764 HG1 THR 30 HG1 THR 30 6.945 4.354 -1.401 765 1HG2 THR 30 3HG2 THR 30 4.233 5.862 -2.380 766 2HG2 THR 30 1HG2 THR 30 4.886 4.399 -1.642 767 3HG2 THR 30 2HG2 THR 30 4.212 5.675 -0.627 768 H SER 31 H SER 31 3.820 8.280 -2.293 769 HA SER 31 HA SER 31 4.555 10.849 -1.084 770 1HB SER 31 1HB SER 31 2.753 10.659 -2.802 771 2HB SER 31 2HB SER 31 1.806 9.705 -1.660 772 HG SER 31 HG SER 31 2.064 11.548 -0.205 773 H GLY 32 H GLY 32 2.082 8.436 -0.133 774 1HA GLY 32 2HA GLY 32 3.015 7.837 2.429 775 2HA GLY 32 1HA GLY 32 2.107 9.319 2.616 776 H LYS 33 H LYS 33 1.616 6.353 0.670 777 HA LYS 33 HA LYS 33 -1.221 6.365 1.565 778 1HB LYS 33 2HB LYS 33 0.092 4.698 -0.601 779 2HB LYS 33 1HB LYS 33 -1.637 4.859 -0.301 780 1HG LYS 33 2HG LYS 33 -0.195 7.408 -0.668 781 2HG LYS 33 1HG LYS 33 -0.249 6.390 -2.086 782 1HD LYS 33 2HD LYS 33 -2.832 6.364 -0.835 783 2HD LYS 33 1HD LYS 33 -2.320 8.037 -1.059 784 1HE LYS 33 1HE LYS 33 -1.784 6.252 -3.355 785 2HE LYS 33 2HE LYS 33 -3.493 6.527 -3.012 786 1HZ LYS 33 1HZ LYS 33 -1.580 8.772 -3.114 787 2HZ LYS 33 2HZ LYS 33 -2.291 8.167 -4.533 788 3HZ LYS 33 3HZ LYS 33 -3.268 8.803 -3.298 789 H CYS 34 H CYS 34 1.044 3.711 0.763 790 HA CYS 34 HA CYS 34 -0.172 1.939 2.687 791 1HB CYS 34 2HB CYS 34 2.615 1.636 1.551 792 2HB CYS 34 1HB CYS 34 1.511 0.365 2.072 793 H SER 35 H SER 35 1.533 0.814 4.308 794 HA SER 35 HA SER 35 2.482 3.032 6.039 795 1HB SER 35 1HB SER 35 1.786 0.142 6.492 796 2HB SER 35 2HB SER 35 2.817 0.985 7.648 797 HG SER 35 HG SER 35 0.761 1.316 8.327 798 H ASN 36 H ASN 36 3.933 2.116 3.601 799 HA ASN 36 HA ASN 36 6.529 1.525 4.943 800 1HB ASN 36 2HB ASN 36 5.166 -0.043 2.806 801 2HB ASN 36 1HB ASN 36 6.907 0.185 2.648 802 1HD2 ASN 36 2HD2 ASN 36 5.150 -1.670 5.811 803 2HD2 ASN 36 1HD2 ASN 36 4.700 -2.046 4.217 804 HA PRO 37 HA PRO 37 6.507 5.169 1.972 805 1HB PRO 37 1HB PRO 37 8.217 6.469 3.918 806 2HB PRO 37 2HB PRO 37 6.607 6.959 3.379 807 1HG PRO 37 2HG PRO 37 7.331 5.799 5.913 808 2HG PRO 37 1HG PRO 37 5.713 6.242 5.355 809 1HD PRO 37 2HD PRO 37 6.797 3.595 5.688 810 2HD PRO 37 1HD PRO 37 5.191 4.036 5.128 811 H ALA 38 H ALA 38 8.291 5.568 0.588 812 HA ALA 38 HA ALA 38 11.018 5.049 1.301 813 1HB ALA 38 3HB ALA 38 10.043 2.708 1.338 814 2HB ALA 38 1HB ALA 38 9.757 2.884 -0.393 815 3HB ALA 38 2HB ALA 38 11.405 2.930 0.237 816 H VAL 39 H VAL 39 11.604 3.938 -1.439 817 HA VAL 39 HA VAL 39 10.611 6.047 -3.217 818 HB VAL 39 HB VAL 39 12.889 6.551 -1.815 819 1HG1 VAL 39 3HG1 VAL 39 13.912 4.557 -3.169 820 2HG1 VAL 39 1HG1 VAL 39 14.037 5.759 -4.455 821 3HG1 VAL 39 2HG1 VAL 39 14.851 6.028 -2.913 822 1HG2 VAL 39 2HG2 VAL 39 11.709 7.492 -4.323 823 2HG2 VAL 39 3HG2 VAL 39 12.215 8.396 -2.890 824 3HG2 VAL 39 1HG2 VAL 39 13.407 7.915 -4.102 825 H VAL 40 H VAL 40 10.497 5.178 -5.264 826 HA VAL 40 HA VAL 40 11.511 2.386 -5.412 827 HB VAL 40 HB VAL 40 8.999 3.696 -6.353 828 1HG1 VAL 40 2HG1 VAL 40 9.979 2.554 -8.360 829 2HG1 VAL 40 3HG1 VAL 40 10.034 1.065 -7.421 830 3HG1 VAL 40 1HG1 VAL 40 8.484 1.818 -7.793 831 1HG2 VAL 40 2HG2 VAL 40 9.842 1.181 -4.903 832 2HG2 VAL 40 3HG2 VAL 40 8.934 2.551 -4.254 833 3HG2 VAL 40 1HG2 VAL 40 8.175 1.463 -5.418 834 H PHE 41 H PHE 41 13.298 2.261 -6.573 835 HA PHE 41 HA PHE 41 13.745 4.057 -8.819 836 1HB PHE 41 2HB PHE 41 15.354 1.876 -7.526 837 2HB PHE 41 1HB PHE 41 15.848 2.570 -9.048 838 HD1 PHE 41 HD2 PHE 41 16.330 5.063 -9.204 839 HD2 PHE 41 HD1 PHE 41 15.582 3.068 -5.451 840 HE1 PHE 41 HE2 PHE 41 17.409 6.951 -7.989 841 HE2 PHE 41 HE1 PHE 41 16.608 4.980 -4.235 842 HZ PHE 41 HZ PHE 41 17.576 6.896 -5.500 843 H VAL 42 H VAL 42 13.550 3.628 -10.860 844 HA VAL 42 HA VAL 42 12.492 0.946 -11.642 845 HB VAL 42 HB VAL 42 12.028 2.750 -13.736 846 1HG1 VAL 42 3HG2 VAL 42 10.443 1.428 -11.572 847 2HG1 VAL 42 1HG2 VAL 42 9.624 2.580 -12.627 848 3HG1 VAL 42 2HG2 VAL 42 10.388 1.146 -13.315 849 1HG2 VAL 42 3HG1 VAL 42 12.464 4.627 -12.195 850 2HG2 VAL 42 1HG1 VAL 42 10.780 4.585 -12.701 851 3HG2 VAL 42 2HG1 VAL 42 11.238 4.006 -11.099 852 H THR 43 H THR 43 14.754 0.222 -11.769 853 HA THR 43 HA THR 43 16.672 1.616 -13.450 854 HB THR 43 HB THR 43 18.245 0.006 -12.739 855 HG1 THR 43 HG1 THR 43 15.989 -1.655 -12.323 856 1HG2 THR 43 1HG2 THR 43 17.124 1.351 -10.876 857 2HG2 THR 43 2HG2 THR 43 16.200 -0.104 -10.511 858 3HG2 THR 43 3HG2 THR 43 17.958 -0.117 -10.373 859 H ARG 44 H ARG 44 18.031 -0.552 -14.625 860 HA ARG 44 HA ARG 44 17.062 -0.523 -17.209 861 1HB ARG 44 1HB ARG 44 18.340 -2.769 -17.459 862 2HB ARG 44 2HB ARG 44 19.244 -1.353 -16.994 863 1HG ARG 44 1HG ARG 44 18.283 -2.480 -14.584 864 2HG ARG 44 2HG ARG 44 18.892 -3.821 -15.549 865 1HD ARG 44 1HD ARG 44 21.042 -2.756 -15.798 866 2HD ARG 44 2HD ARG 44 20.444 -1.263 -15.071 867 HE ARG 44 HE ARG 44 20.483 -2.342 -12.913 868 1HH1 ARG 44 2HH1 ARG 44 19.744 -5.073 -14.197 869 2HH1 ARG 44 1HH1 ARG 44 21.193 -5.978 -13.904 870 1HH2 ARG 44 2HH2 ARG 44 23.276 -3.550 -13.594 871 2HH2 ARG 44 1HH2 ARG 44 22.754 -4.605 -12.323 872 H LYS 45 H LYS 45 16.629 -3.348 -15.003 873 HA LYS 45 HA LYS 45 14.708 -4.690 -16.628 874 1HB LYS 45 2HB LYS 45 15.347 -4.666 -13.700 875 2HB LYS 45 1HB LYS 45 13.818 -5.386 -14.205 876 1HG LYS 45 1HG LYS 45 15.004 -6.880 -15.746 877 2HG LYS 45 2HG LYS 45 16.541 -6.127 -15.320 878 1HD LYS 45 1HD LYS 45 16.610 -7.908 -13.860 879 2HD LYS 45 2HD LYS 45 15.714 -6.772 -12.851 880 1HE LYS 45 1HE LYS 45 13.956 -8.175 -12.820 881 2HE LYS 45 2HE LYS 45 13.854 -8.093 -14.579 882 1HZ LYS 45 1HZ LYS 45 15.666 -9.787 -14.626 883 2HZ LYS 45 2HZ LYS 45 15.471 -9.967 -12.949 884 3HZ LYS 45 3HZ LYS 45 14.191 -10.346 -13.999 885 H ASN 46 H ASN 46 14.575 -2.005 -14.454 886 HA ASN 46 HA ASN 46 13.081 -0.295 -14.189 887 1HB ASN 46 2HB ASN 46 12.523 -1.351 -16.798 888 2HB ASN 46 1HB ASN 46 10.983 -0.990 -16.022 889 1HD2 ASN 46 1HD2 ASN 46 11.960 1.910 -17.830 890 2HD2 ASN 46 2HD2 ASN 46 10.561 1.213 -17.165 891 H ARG 47 H ARG 47 12.593 -3.265 -13.186 892 HA ARG 47 HA ARG 47 9.768 -3.311 -12.582 893 1HB ARG 47 2HB ARG 47 12.072 -4.837 -11.834 894 2HB ARG 47 1HB ARG 47 11.299 -4.284 -10.352 895 1HG ARG 47 1HG ARG 47 9.218 -5.297 -10.950 896 2HG ARG 47 2HG ARG 47 9.747 -5.569 -12.610 897 1HD ARG 47 1HD ARG 47 11.695 -6.896 -11.241 898 2HD ARG 47 2HD ARG 47 10.321 -7.135 -10.160 899 HE ARG 47 HE ARG 47 10.356 -7.974 -13.030 900 1HH1 ARG 47 1HH1 ARG 47 7.455 -7.924 -11.757 901 2HH1 ARG 47 2HH1 ARG 47 7.798 -8.708 -10.252 902 1HH2 ARG 47 1HH2 ARG 47 10.123 -10.486 -10.935 903 2HH2 ARG 47 2HH2 ARG 47 9.206 -10.699 -12.390 904 H GLN 48 H GLN 48 9.053 -2.668 -10.172 905 HA GLN 48 HA GLN 48 10.235 -0.014 -9.838 906 1HB GLN 48 2HB GLN 48 7.666 -1.238 -9.101 907 2HB GLN 48 1HB GLN 48 8.291 -0.065 -7.961 908 1HG GLN 48 2HG GLN 48 8.618 1.552 -9.763 909 2HG GLN 48 1HG GLN 48 8.126 0.382 -10.949 910 1HE2 GLN 48 1HE2 GLN 48 4.678 0.983 -10.492 911 2HE2 GLN 48 2HE2 GLN 48 5.819 -0.093 -11.143 912 H VAL 49 H VAL 49 12.169 -1.063 -9.256 913 HA VAL 49 HA VAL 49 12.646 -2.588 -6.958 914 HB VAL 49 HB VAL 49 14.662 -0.522 -7.646 915 1HG1 VAL 49 1HG1 VAL 49 14.610 -3.502 -7.195 916 2HG1 VAL 49 2HG1 VAL 49 16.076 -2.622 -7.626 917 3HG1 VAL 49 3HG1 VAL 49 15.245 -2.263 -6.111 918 1HG2 VAL 49 2HG2 VAL 49 13.677 -2.600 -9.625 919 2HG2 VAL 49 3HG2 VAL 49 13.983 -0.892 -9.935 920 3HG2 VAL 49 1HG2 VAL 49 15.331 -2.000 -9.675 921 H CYS 50 H CYS 50 13.571 -1.844 -4.896 922 HA CYS 50 HA CYS 50 12.498 0.819 -4.086 923 1HB CYS 50 1HB CYS 50 11.528 -1.473 -3.173 924 2HB CYS 50 2HB CYS 50 12.930 -1.409 -2.141 925 H ALA 51 H ALA 51 13.735 1.450 -1.860 926 HA ALA 51 HA ALA 51 16.347 0.502 -1.364 927 1HB ALA 51 1HB ALA 51 16.173 1.944 -3.805 928 2HB ALA 51 2HB ALA 51 17.026 2.973 -2.654 929 3HB ALA 51 3HB ALA 51 17.627 1.352 -3.001 930 H ASN 52 H ASN 52 14.130 1.641 0.104 931 HA ASN 52 HA ASN 52 13.882 3.028 1.977 932 1HB ASN 52 1HB ASN 52 16.247 2.212 2.361 933 2HB ASN 52 2HB ASN 52 16.812 3.658 1.525 934 1HD2 ASN 52 2HD2 ASN 52 16.027 3.058 5.149 935 2HD2 ASN 52 1HD2 ASN 52 14.446 3.409 4.637 936 HA PRO 53 HA PRO 53 13.289 6.944 0.007 937 1HB PRO 53 2HB PRO 53 12.068 8.240 2.049 938 2HB PRO 53 1HB PRO 53 11.265 6.999 1.120 939 1HG PRO 53 2HG PRO 53 12.326 6.824 3.896 940 2HG PRO 53 1HG PRO 53 11.025 5.912 3.153 941 1HD PRO 53 2HD PRO 53 13.691 5.016 3.558 942 2HD PRO 53 1HD PRO 53 12.456 4.201 2.606 943 H GLU 54 H GLU 54 14.223 7.293 3.463 944 HA GLU 54 HA GLU 54 15.891 9.641 2.722 945 1HB GLU 54 1HB GLU 54 14.304 8.877 5.037 946 2HB GLU 54 2HB GLU 54 15.936 9.352 5.506 947 1HG GLU 54 1HG GLU 54 15.674 11.517 4.747 948 2HG GLU 54 2HG GLU 54 14.523 11.049 3.494 949 H LYS 55 H LYS 55 17.028 7.228 1.942 950 HA LYS 55 HA LYS 55 19.007 6.505 4.026 951 1HB LYS 55 1HB LYS 55 17.877 5.193 1.722 952 2HB LYS 55 2HB LYS 55 19.619 5.180 1.622 953 1HG LYS 55 1HG LYS 55 18.227 4.454 4.190 954 2HG LYS 55 2HG LYS 55 18.452 3.252 2.920 955 1HD LYS 55 1HD LYS 55 20.719 3.151 3.237 956 2HD LYS 55 2HD LYS 55 20.844 4.868 3.622 957 1HE LYS 55 1HE LYS 55 20.088 4.517 5.862 958 2HE LYS 55 2HE LYS 55 19.552 2.876 5.499 959 1HZ LYS 55 3HZ LYS 55 22.023 2.530 4.879 960 2HZ LYS 55 1HZ LYS 55 22.287 3.900 5.849 961 3HZ LYS 55 2HZ LYS 55 21.564 2.515 6.514 962 H LYS 56 H LYS 56 18.937 9.163 2.607 963 HA LYS 56 HA LYS 56 20.498 10.695 1.804 964 1HB LYS 56 1HB LYS 56 22.401 8.473 2.586 965 2HB LYS 56 2HB LYS 56 22.920 10.069 2.051 966 1HG LYS 56 1HG LYS 56 21.861 11.138 3.913 967 2HG LYS 56 2HG LYS 56 20.989 9.667 4.346 968 1HD LYS 56 1HD LYS 56 22.895 9.962 5.853 969 2HD LYS 56 2HD LYS 56 23.169 8.557 4.824 970 1HE LYS 56 1HE LYS 56 24.143 11.162 3.775 971 2HE LYS 56 2HE LYS 56 25.014 10.505 5.161 972 1HZ LYS 56 1HZ LYS 56 24.376 8.646 3.012 973 2HZ LYS 56 2HZ LYS 56 25.557 9.818 2.671 974 3HZ LYS 56 3HZ LYS 56 25.768 8.755 3.979 975 H TRP 57 H TRP 57 22.425 7.943 0.708 976 HA TRP 57 HA TRP 57 22.932 8.819 -1.853 977 1HB TRP 57 1HB TRP 57 23.459 6.567 -2.460 978 2HB TRP 57 2HB TRP 57 23.880 6.765 -0.756 979 HD1 TRP 57 HD1 TRP 57 22.777 5.074 0.862 980 HE1 TRP 57 HE1 TRP 57 21.140 3.109 0.507 981 HE3 TRP 57 HE3 TRP 57 21.259 6.125 -3.852 982 HZ2 TRP 57 HZ2 TRP 57 19.378 2.122 -1.567 983 HZ3 TRP 57 HZ3 TRP 57 19.712 4.648 -5.055 984 HH2 TRP 57 HH2 TRP 57 18.779 2.636 -3.931 985 H VAL 58 H VAL 58 19.991 7.063 -0.890 986 HA VAL 58 HA VAL 58 18.898 6.671 -3.464 987 HB VAL 58 HB VAL 58 16.626 7.196 -2.186 988 1HG1 VAL 58 1HG1 VAL 58 17.914 4.995 -2.888 989 2HG1 VAL 58 2HG1 VAL 58 18.089 4.829 -1.145 990 3HG1 VAL 58 3HG1 VAL 58 16.482 4.936 -1.869 991 1HG2 VAL 58 3HG2 VAL 58 18.366 8.001 -0.255 992 2HG2 VAL 58 1HG2 VAL 58 16.719 7.451 0.045 993 3HG2 VAL 58 2HG2 VAL 58 18.067 6.328 0.208 994 H ARG 59 H ARG 59 18.475 9.534 -1.359 995 HA ARG 59 HA ARG 59 17.015 11.035 -3.327 996 1HB ARG 59 2HB ARG 59 18.616 11.885 -0.899 997 2HB ARG 59 1HB ARG 59 17.693 13.015 -1.890 998 1HG ARG 59 2HG ARG 59 15.628 11.861 -1.397 999 2HG ARG 59 1HG ARG 59 16.493 10.551 -0.595 1000 1HD ARG 59 1HD ARG 59 17.249 12.066 1.159 1001 2HD ARG 59 2HD ARG 59 16.525 13.442 0.325 1002 HE ARG 59 HE ARG 59 14.872 11.193 1.404 1003 1HH1 ARG 59 2HH1 ARG 59 15.580 14.679 1.723 1004 2HH1 ARG 59 1HH1 ARG 59 14.490 14.414 3.043 1005 1HH2 ARG 59 2HH2 ARG 59 12.646 12.174 1.073 1006 2HH2 ARG 59 1HH2 ARG 59 12.547 13.899 1.211 1007 H GLU 60 H GLU 60 20.406 10.461 -2.742 1008 HA GLU 60 HA GLU 60 21.449 12.672 -4.251 1009 1HB GLU 60 2HB GLU 60 22.621 9.932 -3.694 1010 2HB GLU 60 1HB GLU 60 23.519 11.282 -4.385 1011 1HG GLU 60 1HG GLU 60 22.767 12.617 -2.316 1012 2HG GLU 60 2HG GLU 60 22.308 11.061 -1.626 1013 H TYR 61 H TYR 61 20.005 9.637 -5.142 1014 HA TYR 61 HA TYR 61 20.947 9.953 -7.948 1015 1HB TYR 61 1HB TYR 61 19.302 7.700 -6.753 1016 2HB TYR 61 2HB TYR 61 20.090 7.711 -8.327 1017 HD1 TYR 61 HD2 TYR 61 22.518 9.361 -6.679 1018 HD2 TYR 61 HD1 TYR 61 20.639 5.470 -6.556 1019 HE1 TYR 61 HE2 TYR 61 24.561 8.407 -5.625 1020 HE2 TYR 61 HE1 TYR 61 22.689 4.521 -5.508 1021 HH TYR 61 HH TYR 61 25.645 6.097 -5.476 1022 H ILE 62 H ILE 62 18.173 10.346 -5.888 1023 HA ILE 62 HA ILE 62 16.083 10.234 -7.808 1024 HB ILE 62 HB ILE 62 16.445 11.837 -5.263 1025 1HG1 ILE 62 2HG1 ILE 62 14.602 9.530 -5.916 1026 2HG1 ILE 62 1HG1 ILE 62 16.187 9.321 -5.214 1027 1HG2 ILE 62 2HG2 ILE 62 14.494 12.246 -7.357 1028 2HG2 ILE 62 3HG2 ILE 62 13.700 11.674 -5.891 1029 3HG2 ILE 62 1HG2 ILE 62 14.696 13.127 -5.844 1030 1HD1 ILE 62 3HD1 ILE 62 15.029 11.292 -3.628 1031 2HD1 ILE 62 1HD1 ILE 62 13.703 10.171 -3.944 1032 3HD1 ILE 62 2HD1 ILE 62 15.194 9.589 -3.201 1033 H ASN 63 H ASN 63 18.087 13.016 -6.772 1034 HA ASN 63 HA ASN 63 16.911 14.730 -8.837 1035 1HB ASN 63 1HB ASN 63 17.721 15.588 -6.613 1036 2HB ASN 63 2HB ASN 63 19.368 15.232 -7.132 1037 1HD2 ASN 63 2HD2 ASN 63 19.850 18.154 -8.623 1038 2HD2 ASN 63 1HD2 ASN 63 19.554 17.892 -6.972 1039 H SER 64 H SER 64 20.018 13.067 -8.317 1040 HA SER 64 HA SER 64 21.374 14.079 -10.595 1041 1HB SER 64 1HB SER 64 22.568 12.806 -8.909 1042 2HB SER 64 2HB SER 64 21.584 11.379 -9.233 1043 HG SER 64 HG SER 64 23.480 12.628 -10.915 1044 H LEU 65 H LEU 65 18.719 11.872 -10.386 1045 HA LEU 65 HA LEU 65 19.164 10.417 -12.821 1046 1HB LEU 65 2HB LEU 65 16.897 10.882 -10.969 1047 2HB LEU 65 1HB LEU 65 16.453 10.465 -12.623 1048 HG LEU 65 HG LEU 65 18.486 8.893 -11.022 1049 1HD1 LEU 65 1HD1 LEU 65 15.503 8.459 -11.345 1050 2HD1 LEU 65 2HD1 LEU 65 16.615 7.235 -10.733 1051 3HD1 LEU 65 3HD1 LEU 65 16.375 8.735 -9.836 1052 1HD2 LEU 65 1HD2 LEU 65 18.486 8.741 -13.537 1053 2HD2 LEU 65 2HD2 LEU 65 18.141 7.211 -12.732 1054 3HD2 LEU 65 3HD2 LEU 65 16.829 8.146 -13.448 1055 H GLU 66 H GLU 66 18.274 10.797 -14.914 1056 HA GLU 66 HA GLU 66 17.433 13.629 -15.391 1057 1HB GLU 66 1HB GLU 66 19.306 11.821 -16.884 1058 2HB GLU 66 2HB GLU 66 18.399 13.041 -17.778 1059 1HG GLU 66 1HG GLU 66 19.972 13.722 -15.288 1060 2HG GLU 66 2HG GLU 66 20.705 13.749 -16.893 1061 H MET 67 H MET 67 15.217 13.405 -15.581 1062 HA MET 67 HA MET 67 14.266 11.477 -17.660 1063 1HB MET 67 1HB MET 67 13.578 11.586 -14.863 1064 2HB MET 67 2HB MET 67 12.152 11.952 -15.833 1065 1HG MET 67 1HG MET 67 13.765 9.728 -16.888 1066 2HG MET 67 2HG MET 67 13.076 9.414 -15.295 1067 1HE MET 67 1HE MET 67 12.616 10.832 -18.667 1068 2HE MET 67 3HE MET 67 12.235 9.169 -19.116 1069 3HE MET 67 2HE MET 67 10.991 10.415 -19.212 1070 H SER 68 H SER 68 14.941 14.310 -17.935 1071 HA SER 68 HA SER 68 12.380 15.744 -18.023 1072 1HB SER 68 1HB SER 68 14.563 16.883 -17.512 1073 2HB SER 68 2HB SER 68 15.063 16.565 -19.173 1074 HG SER 68 HG SER 68 12.673 17.918 -18.499 No H/Q in entry = 1074 Start of MODEL 4 1 H SER 1 H SER 1 16.853 -17.846 -2.631 2 HA SER 1 HA SER 1 15.265 -17.564 -5.010 3 1HB SER 1 1HB SER 1 15.070 -16.755 -2.182 4 2HB SER 1 2HB SER 1 14.264 -15.660 -3.305 5 HG SER 1 HG SER 1 13.711 -18.303 -2.678 6 HA PRO 2 HA PRO 2 16.651 -13.868 -6.894 7 1HB PRO 2 1HB PRO 2 14.174 -12.389 -6.779 8 2HB PRO 2 2HB PRO 2 14.853 -13.262 -8.157 9 1HG PRO 2 1HG PRO 2 12.588 -14.012 -6.537 10 2HG PRO 2 2HG PRO 2 13.275 -14.891 -7.909 11 1HD PRO 2 1HD PRO 2 13.433 -15.573 -5.109 12 2HD PRO 2 2HD PRO 2 14.119 -16.456 -6.487 13 H TYR 3 H TYR 3 14.446 -13.200 -4.161 14 HA TYR 3 HA TYR 3 14.596 -11.608 -2.441 15 1HB TYR 3 1HB TYR 3 16.673 -12.875 -1.967 16 2HB TYR 3 2HB TYR 3 17.555 -11.827 -3.077 17 HD1 TYR 3 HD1 TYR 3 14.871 -10.978 -0.593 18 HD2 TYR 3 HD2 TYR 3 19.016 -10.549 -1.723 19 HE1 TYR 3 HE1 TYR 3 15.198 -9.315 1.235 20 HE2 TYR 3 HE2 TYR 3 19.343 -8.886 0.105 21 HH TYR 3 HH TYR 3 18.364 -8.171 2.144 22 H SER 4 H SER 4 13.810 -10.451 -4.756 23 HA SER 4 HA SER 4 15.589 -8.121 -5.239 24 1HB SER 4 1HB SER 4 13.579 -9.571 -6.789 25 2HB SER 4 2HB SER 4 13.332 -7.827 -6.841 26 HG SER 4 HG SER 4 15.857 -9.028 -7.247 27 H SER 5 H SER 5 14.776 -5.963 -4.998 28 HA SER 5 HA SER 5 12.407 -5.777 -3.179 29 1HB SER 5 1HB SER 5 15.060 -4.389 -3.192 30 2HB SER 5 2HB SER 5 13.653 -3.494 -2.618 31 HG SER 5 HG SER 5 15.003 -5.578 -1.470 32 H ASP 6 H ASP 6 10.705 -4.752 -4.105 33 HA ASP 6 HA ASP 6 11.118 -2.396 -5.812 34 1HB ASP 6 1HB ASP 6 9.599 -4.752 -6.954 35 2HB ASP 6 2HB ASP 6 10.044 -3.277 -7.773 36 H THR 7 H THR 7 8.409 -2.594 -6.922 37 HA THR 7 HA THR 7 7.035 -1.468 -4.673 38 HB THR 7 HB THR 7 6.658 -0.848 -7.094 39 HG1 THR 7 HG1 THR 7 4.957 -0.057 -6.212 40 1HG2 THR 7 3HG2 THR 7 6.514 -3.385 -7.708 41 2HG2 THR 7 1HG2 THR 7 4.820 -3.222 -7.245 42 3HG2 THR 7 2HG2 THR 7 5.474 -2.241 -8.556 43 H THR 8 H THR 8 4.530 -2.445 -4.547 44 HA THR 8 HA THR 8 4.520 -5.370 -4.422 45 HB THR 8 HB THR 8 3.992 -3.978 -1.818 46 HG1 THR 8 HG1 THR 8 6.314 -4.669 -1.451 47 1HG2 THR 8 3HG2 THR 8 4.206 -6.678 -2.854 48 2HG2 THR 8 1HG2 THR 8 5.337 -6.437 -1.523 49 3HG2 THR 8 2HG2 THR 8 3.615 -6.138 -1.283 50 HA PRO 9 HA PRO 9 0.431 -3.936 -5.598 51 1HB PRO 9 1HB PRO 9 -0.425 -6.710 -5.318 52 2HB PRO 9 2HB PRO 9 -0.272 -5.744 -6.792 53 1HG PRO 9 1HG PRO 9 1.476 -7.840 -5.906 54 2HG PRO 9 2HG PRO 9 1.674 -6.826 -7.316 55 1HD PRO 9 1HD PRO 9 3.207 -6.778 -4.914 56 2HD PRO 9 2HD PRO 9 3.378 -5.735 -6.318 57 H CYS 10 H CYS 10 0.106 -2.863 -3.553 58 HA CYS 10 HA CYS 10 -1.423 -4.508 -1.582 59 1HB CYS 10 2HB CYS 10 0.718 -2.447 -1.116 60 2HB CYS 10 1HB CYS 10 -0.505 -2.756 0.107 61 H CYS 11 H CYS 11 -3.338 -3.657 -1.002 62 HA CYS 11 HA CYS 11 -4.111 -1.142 -2.303 63 1HB CYS 11 1HB CYS 11 -6.036 -2.267 -2.533 64 2HB CYS 11 2HB CYS 11 -5.501 -3.533 -1.472 65 H PHE 12 H PHE 12 -5.230 0.553 -0.944 66 HA PHE 12 HA PHE 12 -4.081 0.619 1.820 67 1HB PHE 12 1HB PHE 12 -2.882 2.219 0.458 68 2HB PHE 12 2HB PHE 12 -4.384 2.860 -0.200 69 HD1 PHE 12 HD1 PHE 12 -3.868 1.934 3.377 70 HD2 PHE 12 HD2 PHE 12 -4.117 5.144 0.499 71 HE1 PHE 12 HE1 PHE 12 -3.996 3.588 5.237 72 HE2 PHE 12 HE2 PHE 12 -4.256 6.799 2.362 73 HZ PHE 12 HZ PHE 12 -4.193 6.020 4.729 74 H ALA 13 H ALA 13 -6.558 2.294 -0.165 75 HA ALA 13 HA ALA 13 -8.302 2.383 2.236 76 1HB ALA 13 2HB ALA 13 -8.037 3.962 -0.238 77 2HB ALA 13 3HB ALA 13 -9.705 3.626 0.226 78 3HB ALA 13 1HB ALA 13 -8.627 4.455 1.349 79 H TYR 14 H TYR 14 -9.884 0.938 2.499 80 HA TYR 14 HA TYR 14 -10.387 -0.990 0.368 81 1HB TYR 14 1HB TYR 14 -11.965 -0.861 2.931 82 2HB TYR 14 2HB TYR 14 -11.538 -2.275 1.972 83 HD1 TYR 14 HD2 TYR 14 -9.003 -2.886 1.799 84 HD2 TYR 14 HD1 TYR 14 -10.632 -0.218 4.776 85 HE1 TYR 14 HE2 TYR 14 -6.977 -3.219 3.206 86 HE2 TYR 14 HE1 TYR 14 -8.608 -0.562 6.190 87 HH TYR 14 HH TYR 14 -6.178 -1.246 5.795 88 H ILE 15 H ILE 15 -12.107 -0.906 -1.045 89 HA ILE 15 HA ILE 15 -13.648 1.427 -1.371 90 HB ILE 15 HB ILE 15 -13.327 -0.436 -3.063 91 1HG1 ILE 15 2HG1 ILE 15 -16.132 -0.188 -3.371 92 2HG1 ILE 15 1HG1 ILE 15 -15.580 1.290 -2.584 93 1HG2 ILE 15 2HG2 ILE 15 -14.068 -2.249 -1.445 94 2HG2 ILE 15 3HG2 ILE 15 -15.716 -1.672 -1.674 95 3HG2 ILE 15 1HG2 ILE 15 -14.811 -2.322 -3.041 96 1HD1 ILE 15 3HD1 ILE 15 -14.098 0.172 -4.957 97 2HD1 ILE 15 1HD1 ILE 15 -15.522 1.186 -5.185 98 3HD1 ILE 15 2HD1 ILE 15 -14.110 1.825 -4.344 99 H ALA 16 H ALA 16 -14.344 -1.452 0.569 100 HA ALA 16 HA ALA 16 -15.902 -1.737 2.294 101 1HB ALA 16 2HB ALA 16 -15.239 0.735 2.731 102 2HB ALA 16 3HB ALA 16 -16.757 1.134 1.927 103 3HB ALA 16 1HB ALA 16 -16.768 0.162 3.399 104 H ARG 17 H ARG 17 -18.041 -2.382 2.343 105 HA ARG 17 HA ARG 17 -20.241 -2.734 1.592 106 1HB ARG 17 1HB ARG 17 -19.873 -0.155 0.864 107 2HB ARG 17 2HB ARG 17 -20.047 -0.886 -0.713 108 1HG ARG 17 1HG ARG 17 -22.221 -1.627 -0.282 109 2HG ARG 17 2HG ARG 17 -21.984 -1.602 1.466 110 1HD ARG 17 1HD ARG 17 -23.438 0.272 0.526 111 2HD ARG 17 2HD ARG 17 -22.087 0.791 1.535 112 HE ARG 17 HE ARG 17 -21.614 0.703 -1.386 113 1HH1 ARG 17 2HH1 ARG 17 -23.259 2.757 0.749 114 2HH1 ARG 17 1HH1 ARG 17 -22.650 4.130 -0.115 115 1HH2 ARG 17 2HH2 ARG 17 -19.826 2.414 -1.223 116 2HH2 ARG 17 1HH2 ARG 17 -20.341 3.929 -0.560 117 HA PRO 18 HA PRO 18 -18.894 -5.804 -1.369 118 1HB PRO 18 2HB PRO 18 -21.648 -6.587 -1.752 119 2HB PRO 18 1HB PRO 18 -20.390 -7.458 -0.921 120 1HG PRO 18 2HG PRO 18 -22.608 -6.083 0.249 121 2HG PRO 18 1HG PRO 18 -21.305 -6.895 1.090 122 1HD PRO 18 2HD PRO 18 -21.768 -4.062 0.876 123 2HD PRO 18 1HD PRO 18 -20.448 -4.884 1.727 124 H LEU 19 H LEU 19 -18.293 -4.518 -3.116 125 HA LEU 19 HA LEU 19 -20.001 -2.874 -4.665 126 1HB LEU 19 2HB LEU 19 -18.217 -2.781 -6.263 127 2HB LEU 19 1HB LEU 19 -17.458 -2.934 -4.685 128 HG LEU 19 HG LEU 19 -18.026 -5.390 -6.335 129 1HD1 LEU 19 3HD1 LEU 19 -15.775 -3.403 -6.601 130 2HD1 LEU 19 1HD1 LEU 19 -15.541 -5.103 -7.004 131 3HD1 LEU 19 2HD1 LEU 19 -16.739 -4.148 -7.875 132 1HD2 LEU 19 3HD2 LEU 19 -16.347 -4.610 -3.981 133 2HD2 LEU 19 1HD2 LEU 19 -17.339 -6.049 -4.216 134 3HD2 LEU 19 2HD2 LEU 19 -15.780 -5.910 -5.029 135 HA PRO 20 HA PRO 20 -22.483 -5.504 -7.124 136 1HB PRO 20 1HB PRO 20 -21.726 -4.358 -9.678 137 2HB PRO 20 2HB PRO 20 -23.222 -4.114 -8.768 138 1HG PRO 20 1HG PRO 20 -21.061 -2.249 -9.116 139 2HG PRO 20 2HG PRO 20 -22.527 -2.029 -8.154 140 1HD PRO 20 1HD PRO 20 -19.834 -2.446 -7.212 141 2HD PRO 20 2HD PRO 20 -21.300 -2.215 -6.243 142 H ARG 21 H ARG 21 -21.837 -7.589 -7.413 143 HA ARG 21 HA ARG 21 -19.219 -8.370 -8.270 144 1HB ARG 21 1HB ARG 21 -20.891 -9.751 -6.926 145 2HB ARG 21 2HB ARG 21 -21.706 -10.076 -8.435 146 1HG ARG 21 1HG ARG 21 -20.063 -11.477 -9.181 147 2HG ARG 21 2HG ARG 21 -18.779 -10.507 -8.460 148 1HD ARG 21 1HD ARG 21 -18.668 -12.007 -6.785 149 2HD ARG 21 2HD ARG 21 -20.278 -11.533 -6.303 150 HE ARG 21 HE ARG 21 -19.592 -14.008 -7.600 151 1HH1 ARG 21 1HH1 ARG 21 -22.545 -11.724 -7.572 152 2HH1 ARG 21 2HH1 ARG 21 -22.858 -12.978 -6.420 153 1HH2 ARG 21 1HH2 ARG 21 -21.630 -14.207 -9.626 154 2HH2 ARG 21 2HH2 ARG 21 -22.358 -15.110 -8.339 155 H ALA 22 H ALA 22 -22.245 -7.883 -10.023 156 HA ALA 22 HA ALA 22 -21.470 -9.166 -12.452 157 1HB ALA 22 2HB ALA 22 -23.539 -7.215 -11.619 158 2HB ALA 22 3HB ALA 22 -23.110 -7.182 -13.329 159 3HB ALA 22 1HB ALA 22 -23.698 -8.675 -12.596 160 H HIS 23 H HIS 23 -20.473 -6.177 -11.025 161 HA HIS 23 HA HIS 23 -19.444 -5.164 -13.610 162 1HB HIS 23 2HB HIS 23 -19.152 -3.914 -10.874 163 2HB HIS 23 1HB HIS 23 -18.936 -3.134 -12.420 164 HD2 HIS 23 HD2 HIS 23 -22.009 -5.145 -12.962 165 HE1 HIS 23 HE1 HIS 23 -23.431 -1.555 -11.241 166 HE2 HIS 23 HE2 HIS 23 -24.107 -3.670 -12.483 167 H ILE 24 H ILE 24 -18.355 -7.001 -10.902 168 HA ILE 24 HA ILE 24 -15.543 -6.224 -11.216 169 HB ILE 24 HB ILE 24 -16.383 -8.724 -9.808 170 1HG1 ILE 24 2HG1 ILE 24 -16.658 -5.908 -8.715 171 2HG1 ILE 24 1HG1 ILE 24 -17.981 -7.032 -9.021 172 1HG2 ILE 24 3HG2 ILE 24 -14.061 -6.978 -9.980 173 2HG2 ILE 24 1HG2 ILE 24 -14.548 -7.247 -8.309 174 3HG2 ILE 24 2HG2 ILE 24 -14.178 -8.621 -9.350 175 1HD1 ILE 24 1HD1 ILE 24 -16.006 -8.356 -7.410 176 2HD1 ILE 24 2HD1 ILE 24 -16.404 -6.808 -6.663 177 3HD1 ILE 24 3HD1 ILE 24 -17.681 -7.976 -7.001 178 H LYS 25 H LYS 25 -13.921 -7.988 -11.611 179 HA LYS 25 HA LYS 25 -14.883 -9.825 -13.760 180 1HB LYS 25 2HB LYS 25 -13.193 -7.609 -14.000 181 2HB LYS 25 1HB LYS 25 -12.123 -8.970 -14.027 182 1HG LYS 25 1HG LYS 25 -13.782 -9.995 -15.739 183 2HG LYS 25 2HG LYS 25 -14.413 -8.354 -15.878 184 1HD LYS 25 1HD LYS 25 -11.855 -7.737 -16.171 185 2HD LYS 25 2HD LYS 25 -11.726 -9.424 -16.668 186 1HE LYS 25 1HE LYS 25 -13.893 -8.735 -18.104 187 2HE LYS 25 2HE LYS 25 -13.123 -7.153 -18.001 188 1HZ LYS 25 2HZ LYS 25 -11.044 -8.744 -18.586 189 2HZ LYS 25 3HZ LYS 25 -12.294 -9.520 -19.435 190 3HZ LYS 25 1HZ LYS 25 -11.947 -7.885 -19.740 191 H GLU 26 H GLU 26 -12.658 -9.283 -11.071 192 HA GLU 26 HA GLU 26 -12.438 -12.112 -10.536 193 1HB GLU 26 2HB GLU 26 -9.740 -11.686 -10.749 194 2HB GLU 26 1HB GLU 26 -10.694 -12.495 -11.936 195 1HG GLU 26 1HG GLU 26 -10.723 -9.584 -12.269 196 2HG GLU 26 2HG GLU 26 -9.115 -10.280 -12.377 197 H TYR 27 H TYR 27 -9.952 -11.888 -9.020 198 HA TYR 27 HA TYR 27 -10.248 -9.536 -7.355 199 1HB TYR 27 1HB TYR 27 -10.615 -10.865 -5.268 200 2HB TYR 27 2HB TYR 27 -11.971 -11.018 -6.388 201 HD1 TYR 27 HD2 TYR 27 -8.961 -12.705 -5.015 202 HD2 TYR 27 HD1 TYR 27 -12.434 -13.106 -7.550 203 HE1 TYR 27 HE2 TYR 27 -8.578 -15.164 -5.152 204 HE2 TYR 27 HE1 TYR 27 -12.046 -15.564 -7.692 205 HH TYR 27 HH TYR 27 -9.664 -17.174 -5.689 206 H PHE 28 H PHE 28 -8.601 -9.965 -5.330 207 HA PHE 28 HA PHE 28 -6.421 -11.726 -6.117 208 1HB PHE 28 2HB PHE 28 -5.873 -9.916 -7.590 209 2HB PHE 28 1HB PHE 28 -6.171 -8.724 -6.352 210 HD1 PHE 28 HD1 PHE 28 -4.010 -11.741 -6.987 211 HD2 PHE 28 HD2 PHE 28 -4.359 -7.849 -5.153 212 HE1 PHE 28 HE1 PHE 28 -1.637 -11.880 -6.236 213 HE2 PHE 28 HE2 PHE 28 -1.992 -7.989 -4.398 214 HZ PHE 28 HZ PHE 28 -0.625 -10.002 -4.947 215 H TYR 29 H TYR 29 -6.981 -12.483 -3.905 216 HA TYR 29 HA TYR 29 -6.895 -10.875 -1.580 217 1HB TYR 29 1HB TYR 29 -7.641 -13.191 -1.493 218 2HB TYR 29 2HB TYR 29 -6.035 -13.755 -1.947 219 HD1 TYR 29 HD1 TYR 29 -7.904 -11.874 0.700 220 HD2 TYR 29 HD2 TYR 29 -4.351 -14.107 -0.315 221 HE1 TYR 29 HE1 TYR 29 -7.218 -11.872 3.095 222 HE2 TYR 29 HE2 TYR 29 -3.665 -14.107 2.080 223 HH TYR 29 HH TYR 29 -4.138 -12.604 4.134 224 H THR 30 H THR 30 -5.271 -9.922 -0.510 225 HA THR 30 HA THR 30 -2.579 -9.960 -1.668 226 HB THR 30 HB THR 30 -3.386 -8.622 0.919 227 HG1 THR 30 HG1 THR 30 -3.824 -6.811 -0.520 228 1HG2 THR 30 3HG2 THR 30 -0.960 -8.823 -0.248 229 2HG2 THR 30 1HG2 THR 30 -1.571 -7.405 -1.100 230 3HG2 THR 30 2HG2 THR 30 -1.461 -7.397 0.661 231 H SER 31 H SER 31 -0.947 -11.272 -0.992 232 HA SER 31 HA SER 31 -1.321 -13.353 0.896 233 1HB SER 31 1HB SER 31 1.136 -12.072 -0.295 234 2HB SER 31 2HB SER 31 1.277 -13.355 0.906 235 HG SER 31 HG SER 31 -0.280 -13.551 -1.450 236 H GLY 32 H GLY 32 1.044 -10.718 1.392 237 1HA GLY 32 1HA GLY 32 0.107 -9.510 3.672 238 2HA GLY 32 2HA GLY 32 0.779 -11.001 4.285 239 H LYS 33 H LYS 33 1.717 -8.413 1.994 240 HA LYS 33 HA LYS 33 4.515 -8.700 2.986 241 1HB LYS 33 2HB LYS 33 3.394 -7.383 0.500 242 2HB LYS 33 1HB LYS 33 5.080 -7.333 0.952 243 1HG LYS 33 1HG LYS 33 4.309 -10.040 1.135 244 2HG LYS 33 2HG LYS 33 3.633 -9.448 -0.364 245 1HD LYS 33 1HD LYS 33 5.994 -8.390 -0.721 246 2HD LYS 33 2HD LYS 33 6.509 -9.546 0.483 247 1HE LYS 33 1HE LYS 33 5.551 -11.382 -0.875 248 2HE LYS 33 2HE LYS 33 5.064 -10.207 -2.096 249 1HZ LYS 33 1HZ LYS 33 7.662 -9.622 -1.761 250 2HZ LYS 33 2HZ LYS 33 7.675 -11.303 -1.527 251 3HZ LYS 33 3HZ LYS 33 7.059 -10.651 -2.970 252 H CYS 34 H CYS 34 2.214 -6.119 2.045 253 HA CYS 34 HA CYS 34 3.726 -4.149 3.614 254 1HB CYS 34 1HB CYS 34 0.971 -3.677 2.489 255 2HB CYS 34 2HB CYS 34 2.280 -2.522 2.718 256 H SER 35 H SER 35 1.511 -2.670 4.648 257 HA SER 35 HA SER 35 0.643 -4.518 6.833 258 1HB SER 35 1HB SER 35 2.079 -2.222 7.106 259 2HB SER 35 2HB SER 35 0.438 -1.591 7.247 260 HG SER 35 HG SER 35 0.116 -3.366 8.789 261 H ASN 36 H ASN 36 -0.669 -4.033 4.192 262 HA ASN 36 HA ASN 36 -3.305 -3.085 5.249 263 1HB ASN 36 2HB ASN 36 -1.959 -2.443 2.621 264 2HB ASN 36 1HB ASN 36 -3.704 -2.298 2.833 265 1HD2 ASN 36 2HD2 ASN 36 -3.488 0.610 4.864 266 2HD2 ASN 36 1HD2 ASN 36 -4.498 -0.526 4.107 267 HA PRO 37 HA PRO 37 -3.231 -7.417 3.287 268 1HB PRO 37 1HB PRO 37 -4.682 -8.279 5.647 269 2HB PRO 37 2HB PRO 37 -3.108 -8.837 5.069 270 1HG PRO 37 1HG PRO 37 -3.643 -7.128 7.323 271 2HG PRO 37 2HG PRO 37 -2.083 -7.666 6.739 272 1HD PRO 37 1HD PRO 37 -3.195 -5.026 6.560 273 2HD PRO 37 2HD PRO 37 -1.642 -5.591 5.915 274 H ALA 38 H ALA 38 -5.003 -7.778 1.970 275 HA ALA 38 HA ALA 38 -7.726 -7.365 2.907 276 1HB ALA 38 2HB ALA 38 -6.867 -5.021 2.484 277 2HB ALA 38 3HB ALA 38 -6.690 -5.467 0.786 278 3HB ALA 38 1HB ALA 38 -8.288 -5.463 1.536 279 H VAL 39 H VAL 39 -8.570 -6.735 0.072 280 HA VAL 39 HA VAL 39 -7.645 -9.109 -1.383 281 HB VAL 39 HB VAL 39 -9.859 -9.405 0.155 282 1HG1 VAL 39 2HG1 VAL 39 -10.909 -7.560 -1.428 283 2HG1 VAL 39 3HG1 VAL 39 -11.150 -8.942 -2.497 284 3HG1 VAL 39 1HG1 VAL 39 -11.868 -8.936 -0.886 285 1HG2 VAL 39 3HG2 VAL 39 -8.794 -10.645 -2.273 286 2HG2 VAL 39 1HG2 VAL 39 -9.295 -11.385 -0.753 287 3HG2 VAL 39 2HG2 VAL 39 -10.498 -10.990 -1.981 288 H VAL 40 H VAL 40 -7.734 -8.641 -3.595 289 HA VAL 40 HA VAL 40 -8.671 -5.866 -4.115 290 HB VAL 40 HB VAL 40 -6.226 -7.353 -4.929 291 1HG1 VAL 40 2HG1 VAL 40 -7.231 -6.668 -7.084 292 2HG1 VAL 40 3HG1 VAL 40 -7.375 -5.023 -6.472 293 3HG1 VAL 40 1HG1 VAL 40 -5.782 -5.736 -6.714 294 1HG2 VAL 40 2HG2 VAL 40 -6.997 -4.596 -3.958 295 2HG2 VAL 40 3HG2 VAL 40 -6.030 -5.810 -3.117 296 3HG2 VAL 40 1HG2 VAL 40 -5.364 -4.969 -4.516 297 H PHE 41 H PHE 41 -10.392 -5.722 -5.324 298 HA PHE 41 HA PHE 41 -11.136 -7.887 -7.134 299 1HB PHE 41 1HB PHE 41 -12.399 -5.282 -6.295 300 2HB PHE 41 2HB PHE 41 -13.011 -6.159 -7.695 301 HD1 PHE 41 HD1 PHE 41 -13.502 -8.730 -7.329 302 HD2 PHE 41 HD2 PHE 41 -13.198 -5.815 -4.158 303 HE1 PHE 41 HE1 PHE 41 -14.881 -10.192 -5.853 304 HE2 PHE 41 HE2 PHE 41 -14.571 -7.279 -2.681 305 HZ PHE 41 HZ PHE 41 -15.426 -9.460 -3.532 306 H VAL 42 H VAL 42 -11.083 -7.818 -9.272 307 HA VAL 42 HA VAL 42 -9.708 -5.484 -10.551 308 HB VAL 42 HB VAL 42 -9.385 -7.671 -12.242 309 1HG1 VAL 42 1HG2 VAL 42 -7.804 -5.804 -11.608 310 2HG1 VAL 42 2HG2 VAL 42 -7.437 -6.716 -10.143 311 3HG1 VAL 42 3HG2 VAL 42 -7.044 -7.390 -11.727 312 1HG2 VAL 42 2HG1 VAL 42 -10.033 -9.209 -10.436 313 2HG2 VAL 42 3HG1 VAL 42 -8.333 -9.404 -10.845 314 3HG2 VAL 42 1HG1 VAL 42 -8.798 -8.514 -9.395 315 H THR 43 H THR 43 -11.852 -4.592 -10.906 316 HA THR 43 HA THR 43 -13.972 -6.133 -12.145 317 HB THR 43 HB THR 43 -15.285 -4.150 -11.973 318 HG1 THR 43 HG1 THR 43 -12.903 -2.702 -11.503 319 1HG2 THR 43 3HG2 THR 43 -14.689 -5.158 -9.807 320 2HG2 THR 43 1HG2 THR 43 -13.255 -4.139 -9.722 321 3HG2 THR 43 2HG2 THR 43 -14.856 -3.411 -9.664 322 H ARG 44 H ARG 44 -15.136 -4.305 -13.873 323 HA ARG 44 HA ARG 44 -14.212 -5.124 -16.348 324 1HB ARG 44 2HB ARG 44 -15.259 -2.822 -17.154 325 2HB ARG 44 1HB ARG 44 -16.281 -4.089 -16.528 326 1HG ARG 44 1HG ARG 44 -16.928 -2.820 -14.779 327 2HG ARG 44 2HG ARG 44 -15.262 -2.412 -14.377 328 1HD ARG 44 1HD ARG 44 -15.237 -0.597 -15.949 329 2HD ARG 44 2HD ARG 44 -16.764 -1.114 -16.664 330 HE ARG 44 HE ARG 44 -17.070 -0.536 -13.845 331 1HH1 ARG 44 1HH2 ARG 44 -15.790 2.052 -15.494 332 2HH1 ARG 44 2HH2 ARG 44 -17.027 2.104 -16.705 333 1HH2 ARG 44 1HH1 ARG 44 -18.871 1.305 -13.787 334 2HH2 ARG 44 2HH1 ARG 44 -19.294 1.559 -15.447 335 H LYS 45 H LYS 45 -13.595 -1.803 -15.080 336 HA LYS 45 HA LYS 45 -11.507 -1.198 -16.938 337 1HB LYS 45 2HB LYS 45 -12.685 0.184 -14.882 338 2HB LYS 45 1HB LYS 45 -11.108 -0.188 -14.183 339 1HG LYS 45 1HG LYS 45 -10.536 0.591 -16.808 340 2HG LYS 45 2HG LYS 45 -11.791 1.714 -16.283 341 1HD LYS 45 1HD LYS 45 -10.411 2.003 -14.137 342 2HD LYS 45 2HD LYS 45 -9.109 1.180 -14.994 343 1HE LYS 45 1HE LYS 45 -10.461 3.780 -15.758 344 2HE LYS 45 2HE LYS 45 -8.769 3.537 -15.323 345 1HZ LYS 45 3HZ LYS 45 -8.550 2.100 -17.289 346 2HZ LYS 45 1HZ LYS 45 -10.147 2.475 -17.728 347 3HZ LYS 45 2HZ LYS 45 -8.967 3.695 -17.693 348 H ASN 46 H ASN 46 -11.708 -3.093 -14.059 349 HA ASN 46 HA ASN 46 -10.368 -4.725 -13.171 350 1HB ASN 46 2HB ASN 46 -9.443 -4.416 -15.911 351 2HB ASN 46 1HB ASN 46 -8.103 -4.794 -14.863 352 1HD2 ASN 46 1HD2 ASN 46 -9.212 -8.076 -15.735 353 2HD2 ASN 46 2HD2 ASN 46 -9.106 -6.750 -16.791 354 H ARG 47 H ARG 47 -9.897 -1.739 -12.789 355 HA ARG 47 HA ARG 47 -7.100 -1.436 -12.150 356 1HB ARG 47 1HB ARG 47 -9.580 -0.238 -10.872 357 2HB ARG 47 2HB ARG 47 -7.953 0.221 -10.431 358 1HG ARG 47 1HG ARG 47 -8.668 0.279 -13.328 359 2HG ARG 47 2HG ARG 47 -9.308 1.559 -12.297 360 1HD ARG 47 1HD ARG 47 -7.273 2.500 -12.884 361 2HD ARG 47 2HD ARG 47 -6.795 1.631 -11.425 362 HE ARG 47 HE ARG 47 -6.495 -0.132 -13.637 363 1HH1 ARG 47 1HH1 ARG 47 -4.976 1.866 -15.254 364 2HH1 ARG 47 2HH1 ARG 47 -4.226 2.861 -14.050 365 1HH2 ARG 47 2HH2 ARG 47 -4.251 0.110 -11.828 366 2HH2 ARG 47 1HH2 ARG 47 -3.068 0.816 -12.879 367 H GLN 48 H GLN 48 -6.314 -1.704 -9.739 368 HA GLN 48 HA GLN 48 -7.474 -4.253 -8.906 369 1HB GLN 48 2HB GLN 48 -4.886 -2.915 -8.481 370 2HB GLN 48 1HB GLN 48 -5.467 -3.902 -7.133 371 1HG GLN 48 1HG GLN 48 -5.852 -5.777 -8.661 372 2HG GLN 48 2HG GLN 48 -5.376 -4.810 -10.024 373 1HE2 GLN 48 1HE2 GLN 48 -1.862 -4.744 -8.857 374 2HE2 GLN 48 2HE2 GLN 48 -3.029 -3.646 -9.418 375 H VAL 49 H VAL 49 -9.385 -3.064 -8.449 376 HA VAL 49 HA VAL 49 -9.850 -1.215 -6.433 377 HB VAL 49 HB VAL 49 -11.800 -3.437 -6.576 378 1HG1 VAL 49 2HG1 VAL 49 -11.775 -0.436 -6.709 379 2HG1 VAL 49 3HG1 VAL 49 -13.237 -1.350 -7.084 380 3HG1 VAL 49 1HG1 VAL 49 -12.504 -1.477 -5.485 381 1HG2 VAL 49 1HG2 VAL 49 -10.864 -1.958 -9.039 382 2HG2 VAL 49 2HG2 VAL 49 -11.387 -3.633 -8.907 383 3HG2 VAL 49 3HG2 VAL 49 -12.575 -2.333 -8.869 384 H CYS 50 H CYS 50 -10.799 -1.675 -4.232 385 HA CYS 50 HA CYS 50 -9.522 -4.055 -2.953 386 1HB CYS 50 2HB CYS 50 -8.550 -1.624 -2.562 387 2HB CYS 50 1HB CYS 50 -9.924 -1.484 -1.464 388 H ALA 51 H ALA 51 -10.633 -4.281 -0.592 389 HA ALA 51 HA ALA 51 -13.187 -3.244 -0.078 390 1HB ALA 51 1HB ALA 51 -13.185 -5.180 -2.219 391 2HB ALA 51 2HB ALA 51 -14.117 -5.791 -0.854 392 3HB ALA 51 3HB ALA 51 -14.532 -4.240 -1.580 393 H ASN 52 H ASN 52 -10.905 -4.153 1.394 394 HA ASN 52 HA ASN 52 -10.529 -5.212 3.447 395 1HB ASN 52 1HB ASN 52 -12.833 -4.307 3.881 396 2HB ASN 52 2HB ASN 52 -13.493 -5.832 3.293 397 1HD2 ASN 52 1HD2 ASN 52 -12.472 -5.537 7.100 398 2HD2 ASN 52 2HD2 ASN 52 -11.948 -4.292 6.071 399 HA PRO 53 HA PRO 53 -10.066 -9.443 2.201 400 1HB PRO 53 1HB PRO 53 -8.843 -10.338 4.519 401 2HB PRO 53 2HB PRO 53 -8.006 -9.474 3.244 402 1HG PRO 53 2HG PRO 53 -8.779 -8.525 5.932 403 2HG PRO 53 1HG PRO 53 -7.581 -7.867 4.835 404 1HD PRO 53 2HD PRO 53 -10.209 -6.854 5.330 405 2HD PRO 53 1HD PRO 53 -9.047 -6.262 4.127 406 H GLU 54 H GLU 54 -10.951 -9.020 5.657 407 HA GLU 54 HA GLU 54 -12.652 -11.453 5.462 408 1HB GLU 54 1HB GLU 54 -10.806 -10.980 7.283 409 2HB GLU 54 2HB GLU 54 -12.086 -10.032 8.040 410 1HG GLU 54 1HG GLU 54 -13.558 -11.960 8.096 411 2HG GLU 54 2HG GLU 54 -12.406 -12.917 7.165 412 H LYS 55 H LYS 55 -13.814 -9.223 4.262 413 HA LYS 55 HA LYS 55 -15.716 -8.121 6.253 414 1HB LYS 55 1HB LYS 55 -14.694 -7.251 3.682 415 2HB LYS 55 2HB LYS 55 -16.438 -7.192 3.719 416 1HG LYS 55 1HG LYS 55 -14.907 -6.138 6.069 417 2HG LYS 55 2HG LYS 55 -15.017 -5.150 4.613 418 1HD LYS 55 1HD LYS 55 -17.446 -5.211 4.693 419 2HD LYS 55 2HD LYS 55 -17.409 -6.347 6.042 420 1HE LYS 55 1HE LYS 55 -16.254 -4.645 7.426 421 2HE LYS 55 2HE LYS 55 -16.341 -3.507 6.082 422 1HZ LYS 55 3HZ LYS 55 -18.741 -4.810 7.227 423 2HZ LYS 55 1HZ LYS 55 -18.143 -3.328 7.804 424 3HZ LYS 55 2HZ LYS 55 -18.673 -3.463 6.195 425 H LYS 56 H LYS 56 -15.697 -10.975 5.391 426 HA LYS 56 HA LYS 56 -17.259 -12.632 4.901 427 1HB LYS 56 1HB LYS 56 -19.072 -10.277 5.434 428 2HB LYS 56 2HB LYS 56 -19.704 -11.873 5.036 429 1HG LYS 56 1HG LYS 56 -19.599 -11.689 7.450 430 2HG LYS 56 2HG LYS 56 -18.335 -12.806 6.934 431 1HD LYS 56 1HD LYS 56 -16.625 -11.229 7.293 432 2HD LYS 56 2HD LYS 56 -17.746 -9.868 7.249 433 1HE LYS 56 1HE LYS 56 -17.142 -10.208 9.556 434 2HE LYS 56 2HE LYS 56 -18.793 -10.798 9.364 435 1HZ LYS 56 2HZ LYS 56 -17.406 -12.992 8.788 436 2HZ LYS 56 3HZ LYS 56 -16.351 -12.266 9.903 437 3HZ LYS 56 1HZ LYS 56 -17.951 -12.614 10.352 438 H TRP 57 H TRP 57 -19.271 -10.148 3.408 439 HA TRP 57 HA TRP 57 -19.847 -11.464 1.063 440 1HB TRP 57 1HB TRP 57 -20.439 -9.349 0.102 441 2HB TRP 57 2HB TRP 57 -20.808 -9.278 1.827 442 HD1 TRP 57 HD1 TRP 57 -19.685 -7.334 3.122 443 HE1 TRP 57 HE1 TRP 57 -18.029 -5.473 2.442 444 HE3 TRP 57 HE3 TRP 57 -18.337 -9.089 -1.421 445 HZ2 TRP 57 HZ2 TRP 57 -16.385 -4.786 0.154 446 HZ3 TRP 57 HZ3 TRP 57 -16.823 -7.826 -2.886 447 HH2 TRP 57 HH2 TRP 57 -15.850 -5.670 -2.115 448 H VAL 58 H VAL 58 -16.859 -9.635 1.636 449 HA VAL 58 HA VAL 58 -15.920 -9.625 -1.047 450 HB VAL 58 HB VAL 58 -13.576 -9.917 0.180 451 1HG1 VAL 58 2HG1 VAL 58 -14.896 -7.887 -0.870 452 2HG1 VAL 58 3HG1 VAL 58 -15.011 -7.394 0.818 453 3HG1 VAL 58 1HG1 VAL 58 -13.431 -7.639 0.072 454 1HG2 VAL 58 2HG2 VAL 58 -15.169 -10.389 2.306 455 2HG2 VAL 58 3HG2 VAL 58 -13.541 -9.722 2.420 456 3HG2 VAL 58 1HG2 VAL 58 -14.940 -8.650 2.446 457 H ARG 59 H ARG 59 -15.333 -12.091 1.485 458 HA ARG 59 HA ARG 59 -13.903 -13.844 -0.290 459 1HB ARG 59 1HB ARG 59 -15.190 -14.131 2.398 460 2HB ARG 59 2HB ARG 59 -14.721 -15.577 1.535 461 1HG ARG 59 2HG ARG 59 -12.427 -14.558 1.239 462 2HG ARG 59 1HG ARG 59 -12.936 -13.264 2.325 463 1HD ARG 59 1HD ARG 59 -13.008 -14.663 4.175 464 2HD ARG 59 2HD ARG 59 -13.314 -16.103 3.205 465 HE ARG 59 HE ARG 59 -10.783 -15.460 2.433 466 1HH1 ARG 59 1HH1 ARG 59 -12.223 -16.888 5.099 467 2HH1 ARG 59 2HH1 ARG 59 -10.732 -17.037 5.967 468 1HH2 ARG 59 1HH2 ARG 59 -9.101 -14.649 4.040 469 2HH2 ARG 59 2HH2 ARG 59 -9.065 -15.550 5.519 470 H GLU 60 H GLU 60 -17.296 -13.371 0.460 471 HA GLU 60 HA GLU 60 -18.264 -15.790 -0.780 472 1HB GLU 60 1HB GLU 60 -19.479 -13.166 0.014 473 2HB GLU 60 2HB GLU 60 -20.388 -14.237 -1.025 474 1HG GLU 60 1HG GLU 60 -19.995 -16.079 0.651 475 2HG GLU 60 2HG GLU 60 -19.289 -14.869 1.722 476 H TYR 61 H TYR 61 -16.996 -12.838 -2.010 477 HA TYR 61 HA TYR 61 -18.243 -13.204 -4.671 478 1HB TYR 61 1HB TYR 61 -16.546 -11.062 -3.384 479 2HB TYR 61 2HB TYR 61 -16.739 -11.121 -5.134 480 HD1 TYR 61 HD1 TYR 61 -19.215 -11.917 -2.408 481 HD2 TYR 61 HD2 TYR 61 -18.144 -9.315 -5.682 482 HE1 TYR 61 HE1 TYR 61 -21.388 -10.727 -2.171 483 HE2 TYR 61 HE2 TYR 61 -20.321 -8.128 -5.447 484 HH TYR 61 HH TYR 61 -22.026 -7.742 -3.666 485 H ILE 62 H ILE 62 -15.199 -13.496 -2.953 486 HA ILE 62 HA ILE 62 -13.420 -13.830 -5.128 487 HB ILE 62 HB ILE 62 -13.447 -15.078 -2.362 488 1HG1 ILE 62 1HG1 ILE 62 -11.838 -12.788 -3.516 489 2HG1 ILE 62 2HG1 ILE 62 -13.269 -12.589 -2.536 490 1HG2 ILE 62 2HG2 ILE 62 -11.847 -15.799 -4.598 491 2HG2 ILE 62 3HG2 ILE 62 -10.821 -14.878 -3.501 492 3HG2 ILE 62 1HG2 ILE 62 -11.661 -16.316 -2.924 493 1HD1 ILE 62 2HD1 ILE 62 -11.938 -14.213 -0.894 494 2HD1 ILE 62 3HD1 ILE 62 -10.551 -13.530 -1.742 495 3HD1 ILE 62 1HD1 ILE 62 -11.664 -12.471 -0.877 496 H ASN 63 H ASN 63 -15.170 -16.372 -3.294 497 HA ASN 63 HA ASN 63 -14.428 -18.415 -5.235 498 1HB ASN 63 2HB ASN 63 -16.205 -18.319 -2.809 499 2HB ASN 63 1HB ASN 63 -16.275 -19.704 -3.899 500 1HD2 ASN 63 2HD2 ASN 63 -12.696 -18.599 -2.323 501 2HD2 ASN 63 1HD2 ASN 63 -14.062 -18.208 -1.395 502 H SER 64 H SER 64 -17.201 -16.311 -4.702 503 HA SER 64 HA SER 64 -18.960 -17.722 -6.523 504 1HB SER 64 1HB SER 64 -19.822 -16.204 -4.777 505 2HB SER 64 2HB SER 64 -19.050 -14.850 -5.566 506 HG SER 64 HG SER 64 -21.424 -15.708 -6.035 507 H LEU 65 H LEU 65 -16.224 -15.758 -7.040 508 HA LEU 65 HA LEU 65 -17.163 -14.667 -9.605 509 1HB LEU 65 1HB LEU 65 -14.704 -14.425 -7.938 510 2HB LEU 65 2HB LEU 65 -14.538 -14.151 -9.656 511 HG LEU 65 HG LEU 65 -16.568 -12.772 -7.880 512 1HD1 LEU 65 3HD1 LEU 65 -13.789 -12.092 -8.739 513 2HD1 LEU 65 1HD1 LEU 65 -14.973 -10.786 -8.698 514 3HD1 LEU 65 2HD1 LEU 65 -14.624 -11.706 -7.234 515 1HD2 LEU 65 3HD2 LEU 65 -16.238 -13.029 -10.758 516 2HD2 LEU 65 1HD2 LEU 65 -17.565 -12.303 -9.850 517 3HD2 LEU 65 2HD2 LEU 65 -16.143 -11.341 -10.254 518 H GLU 66 H GLU 66 -16.914 -15.700 -11.532 519 HA GLU 66 HA GLU 66 -15.054 -18.045 -11.608 520 1HB GLU 66 1HB GLU 66 -17.719 -17.669 -13.008 521 2HB GLU 66 2HB GLU 66 -16.625 -19.023 -13.291 522 1HG GLU 66 1HG GLU 66 -17.191 -18.544 -10.445 523 2HG GLU 66 2HG GLU 66 -18.620 -18.975 -11.385 524 H MET 67 H MET 67 -14.394 -18.546 -13.958 525 HA MET 67 HA MET 67 -13.111 -16.252 -15.081 526 1HB MET 67 1HB MET 67 -12.309 -18.581 -15.406 527 2HB MET 67 2HB MET 67 -13.721 -18.909 -16.412 528 1HG MET 67 1HG MET 67 -13.020 -17.288 -18.053 529 2HG MET 67 2HG MET 67 -11.738 -16.695 -16.997 530 1HE MET 67 1HE MET 67 -9.854 -17.163 -16.829 531 2HE MET 67 3HE MET 67 -9.064 -18.741 -16.829 532 3HE MET 67 2HE MET 67 -9.044 -17.743 -18.285 533 H SER 68 H SER 68 -15.973 -18.097 -16.179 534 HA SER 68 HA SER 68 -16.762 -15.669 -17.738 535 1HB SER 68 1HB SER 68 -15.968 -17.765 -19.065 536 2HB SER 68 2HB SER 68 -17.515 -18.462 -18.582 537 HG SER 68 HG SER 68 -17.848 -17.432 -20.502 538 H SER 1 H SER 1 -13.940 14.733 -3.850 539 HA SER 1 HA SER 1 -12.559 14.188 -6.317 540 1HB SER 1 1HB SER 1 -12.112 13.745 -3.438 541 2HB SER 1 2HB SER 1 -11.387 12.518 -4.475 542 HG SER 1 HG SER 1 -10.831 15.227 -4.246 543 HA PRO 2 HA PRO 2 -14.037 10.264 -7.574 544 1HB PRO 2 1HB PRO 2 -11.553 8.796 -7.419 545 2HB PRO 2 2HB PRO 2 -12.328 9.471 -8.858 546 1HG PRO 2 1HG PRO 2 -9.960 10.427 -7.518 547 2HG PRO 2 2HG PRO 2 -10.742 11.109 -8.950 548 1HD PRO 2 1HD PRO 2 -10.710 12.178 -6.270 549 2HD PRO 2 2HD PRO 2 -11.493 12.863 -7.707 550 H TYR 3 H TYR 3 -11.657 9.973 -4.925 551 HA TYR 3 HA TYR 3 -11.685 8.640 -2.993 552 1HB TYR 3 1HB TYR 3 -13.732 9.972 -2.565 553 2HB TYR 3 2HB TYR 3 -14.681 8.782 -3.455 554 HD1 TYR 3 HD1 TYR 3 -11.832 8.278 -1.061 555 HD2 TYR 3 HD2 TYR 3 -16.043 7.717 -1.838 556 HE1 TYR 3 HE1 TYR 3 -12.029 6.893 1.002 557 HE2 TYR 3 HE2 TYR 3 -16.239 6.331 0.224 558 HH TYR 3 HH TYR 3 -15.123 5.906 2.274 559 H SER 4 H SER 4 -11.051 7.163 -5.169 560 HA SER 4 HA SER 4 -12.850 4.798 -5.198 561 1HB SER 4 1HB SER 4 -10.953 6.005 -7.067 562 2HB SER 4 2HB SER 4 -10.704 4.269 -6.889 563 HG SER 4 HG SER 4 -13.253 5.416 -7.290 564 H SER 5 H SER 5 -12.013 2.691 -4.709 565 HA SER 5 HA SER 5 -9.527 2.751 -3.045 566 1HB SER 5 1HB SER 5 -12.169 1.390 -2.683 567 2HB SER 5 2HB SER 5 -10.723 0.577 -2.086 568 HG SER 5 HG SER 5 -12.001 2.810 -1.153 569 H ASP 6 H ASP 6 -7.887 1.598 -3.929 570 HA ASP 6 HA ASP 6 -8.403 -0.974 -5.253 571 1HB ASP 6 2HB ASP 6 -6.975 1.189 -6.816 572 2HB ASP 6 1HB ASP 6 -7.466 -0.385 -7.387 573 H THR 7 H THR 7 -5.774 -0.946 -6.560 574 HA THR 7 HA THR 7 -4.247 -1.751 -4.272 575 HB THR 7 HB THR 7 -4.031 -2.709 -6.600 576 HG1 THR 7 HG1 THR 7 -2.269 -3.376 -5.736 577 1HG2 THR 7 3HG2 THR 7 -3.941 -0.284 -7.576 578 2HG2 THR 7 1HG2 THR 7 -2.219 -0.389 -7.210 579 3HG2 THR 7 2HG2 THR 7 -2.957 -1.543 -8.322 580 H THR 8 H THR 8 -1.744 -0.779 -4.451 581 HA THR 8 HA THR 8 -1.739 2.134 -4.743 582 HB THR 8 HB THR 8 -1.030 1.122 -2.009 583 HG1 THR 8 HG1 THR 8 -3.325 1.868 -1.589 584 1HG2 THR 8 3HG2 THR 8 -1.325 3.649 -3.401 585 2HG2 THR 8 1HG2 THR 8 -2.362 3.603 -1.976 586 3HG2 THR 8 2HG2 THR 8 -0.628 3.333 -1.813 587 HA PRO 9 HA PRO 9 2.268 0.528 -5.977 588 1HB PRO 9 1HB PRO 9 3.130 3.307 -6.149 589 2HB PRO 9 2HB PRO 9 2.882 2.145 -7.458 590 1HG PRO 9 2HG PRO 9 1.189 4.354 -6.762 591 2HG PRO 9 1HG PRO 9 0.900 3.152 -7.998 592 1HD PRO 9 2HD PRO 9 -0.467 3.452 -5.517 593 2HD PRO 9 1HD PRO 9 -0.727 2.222 -6.744 594 H CYS 10 H CYS 10 2.735 -0.248 -3.828 595 HA CYS 10 HA CYS 10 4.387 1.651 -2.215 596 1HB CYS 10 2HB CYS 10 2.290 -0.314 -1.322 597 2HB CYS 10 1HB CYS 10 3.592 0.158 -0.239 598 H CYS 11 H CYS 11 6.339 0.878 -1.652 599 HA CYS 11 HA CYS 11 7.035 -1.799 -2.634 600 1HB CYS 11 2HB CYS 11 8.935 -0.728 -3.150 601 2HB CYS 11 1HB CYS 11 8.467 0.679 -2.245 602 H PHE 12 H PHE 12 8.247 -3.291 -1.127 603 HA PHE 12 HA PHE 12 7.289 -2.961 1.689 604 1HB PHE 12 1HB PHE 12 6.007 -4.729 0.650 605 2HB PHE 12 2HB PHE 12 7.464 -5.465 -0.011 606 HD1 PHE 12 HD1 PHE 12 7.186 -4.041 3.426 607 HD2 PHE 12 HD2 PHE 12 7.256 -7.625 1.020 608 HE1 PHE 12 HE1 PHE 12 7.445 -5.417 5.489 609 HE2 PHE 12 HE2 PHE 12 7.527 -9.003 3.084 610 HZ PHE 12 HZ PHE 12 7.620 -7.898 5.317 611 H ALA 13 H ALA 13 9.634 -4.913 -0.201 612 HA ALA 13 HA ALA 13 11.534 -4.670 2.066 613 1HB ALA 13 2HB ALA 13 11.111 -6.581 -0.138 614 2HB ALA 13 3HB ALA 13 12.805 -6.191 0.160 615 3HB ALA 13 1HB ALA 13 11.809 -6.848 1.459 616 H TYR 14 H TYR 14 13.125 -3.212 2.016 617 HA TYR 14 HA TYR 14 13.478 -1.605 -0.394 618 1HB TYR 14 1HB TYR 14 15.224 -1.381 2.051 619 2HB TYR 14 2HB TYR 14 14.728 -0.112 0.934 620 HD1 TYR 14 HD2 TYR 14 12.182 0.478 0.845 621 HD2 TYR 14 HD1 TYR 14 14.019 -1.749 4.055 622 HE1 TYR 14 HE2 TYR 14 10.252 1.017 2.323 623 HE2 TYR 14 HE1 TYR 14 12.094 -1.198 5.536 624 HH TYR 14 HH TYR 14 9.639 -0.566 5.213 625 H ILE 15 H ILE 15 15.102 -1.892 -1.891 626 HA ILE 15 HA ILE 15 16.628 -4.255 -1.985 627 HB ILE 15 HB ILE 15 16.183 -2.651 -3.900 628 1HG1 ILE 15 2HG1 ILE 15 18.962 -2.956 -4.358 629 2HG1 ILE 15 1HG1 ILE 15 18.469 -4.307 -3.335 630 1HG2 ILE 15 2HG2 ILE 15 17.025 -0.631 -2.611 631 2HG2 ILE 15 3HG2 ILE 15 18.657 -1.243 -2.866 632 3HG2 ILE 15 1HG2 ILE 15 17.658 -0.790 -4.246 633 1HD1 ILE 15 3HD1 ILE 15 16.826 -3.522 -5.736 634 2HD1 ILE 15 1HD1 ILE 15 18.236 -4.567 -5.915 635 3HD1 ILE 15 2HD1 ILE 15 16.886 -5.073 -4.899 636 H ALA 16 H ALA 16 17.443 -1.130 -0.529 637 HA ALA 16 HA ALA 16 19.116 -0.610 1.027 638 1HB ALA 16 2HB ALA 16 18.479 -2.986 1.861 639 2HB ALA 16 3HB ALA 16 19.943 -3.511 1.030 640 3HB ALA 16 1HB ALA 16 20.046 -2.337 2.341 641 H ARG 17 H ARG 17 21.250 0.043 0.811 642 HA ARG 17 HA ARG 17 23.391 0.235 -0.113 643 1HB ARG 17 2HB ARG 17 22.979 -2.417 -0.428 644 2HB ARG 17 1HB ARG 17 23.049 -1.926 -2.103 645 1HG ARG 17 1HG ARG 17 25.243 -1.135 -1.923 646 2HG ARG 17 2HG ARG 17 25.118 -0.915 -0.178 647 1HD ARG 17 1HD ARG 17 26.518 -2.907 -0.942 648 2HD ARG 17 2HD ARG 17 25.242 -3.272 0.220 649 HE ARG 17 HE ARG 17 24.570 -3.594 -2.643 650 1HH1 ARG 17 2HH1 ARG 17 26.359 -5.334 -0.352 651 2HH1 ARG 17 1HH1 ARG 17 25.700 -6.812 -0.970 652 1HH2 ARG 17 2HH2 ARG 17 22.801 -5.251 -2.119 653 2HH2 ARG 17 1HH2 ARG 17 23.364 -6.660 -1.284 654 HA PRO 18 HA PRO 18 21.819 2.871 -3.364 655 1HB PRO 18 1HB PRO 18 24.542 3.569 -4.016 656 2HB PRO 18 2HB PRO 18 23.333 4.563 -3.258 657 1HG PRO 18 1HG PRO 18 25.606 3.351 -2.013 658 2HG PRO 18 2HG PRO 18 24.357 4.293 -1.235 659 1HD PRO 18 2HD PRO 18 24.813 1.464 -1.049 660 2HD PRO 18 1HD PRO 18 23.526 2.407 -0.273 661 H LEU 19 H LEU 19 21.113 1.351 -4.865 662 HA LEU 19 HA LEU 19 22.722 -0.499 -6.277 663 1HB LEU 19 2HB LEU 19 20.836 -0.807 -7.724 664 2HB LEU 19 1HB LEU 19 20.183 -0.431 -6.135 665 HG LEU 19 HG LEU 19 20.627 1.766 -8.151 666 1HD1 LEU 19 3HD1 LEU 19 18.372 -0.226 -7.979 667 2HD1 LEU 19 1HD1 LEU 19 18.104 1.400 -8.604 668 3HD1 LEU 19 2HD1 LEU 19 19.246 0.325 -9.409 669 1HD2 LEU 19 3HD2 LEU 19 19.114 1.334 -5.602 670 2HD2 LEU 19 1HD2 LEU 19 20.083 2.720 -6.104 671 3HD2 LEU 19 2HD2 LEU 19 18.474 2.478 -6.782 672 HA PRO 20 HA PRO 20 25.021 1.746 -9.243 673 1HB PRO 20 1HB PRO 20 24.103 0.255 -11.555 674 2HB PRO 20 2HB PRO 20 25.655 0.134 -10.720 675 1HG PRO 20 1HG PRO 20 23.485 -1.751 -10.657 676 2HG PRO 20 2HG PRO 20 25.013 -1.841 -9.772 677 1HD PRO 20 1HD PRO 20 22.386 -1.281 -8.724 678 2HD PRO 20 2HD PRO 20 23.914 -1.381 -7.830 679 H ARG 21 H ARG 21 24.346 3.772 -9.779 680 HA ARG 21 HA ARG 21 21.675 4.438 -10.562 681 1HB ARG 21 2HB ARG 21 23.429 5.985 -9.541 682 2HB ARG 21 1HB ARG 21 24.138 6.090 -11.133 683 1HG ARG 21 1HG ARG 21 22.442 7.381 -11.955 684 2HG ARG 21 2HG ARG 21 21.214 6.529 -11.019 685 1HD ARG 21 2HD ARG 21 21.210 8.251 -9.568 686 2HD ARG 21 1HD ARG 21 22.851 7.839 -9.134 687 HE ARG 21 HE ARG 21 22.068 10.112 -10.717 688 1HH1 ARG 21 1HH1 ARG 21 25.027 7.839 -10.566 689 2HH1 ARG 21 2HH1 ARG 21 25.410 9.242 -9.626 690 1HH2 ARG 21 1HH2 ARG 21 23.966 10.015 -12.884 691 2HH2 ARG 21 2HH2 ARG 21 24.774 11.084 -11.787 692 H ALA 22 H ALA 22 24.577 3.687 -12.428 693 HA ALA 22 HA ALA 22 23.635 4.623 -14.956 694 1HB ALA 22 2HB ALA 22 25.763 2.798 -13.997 695 2HB ALA 22 3HB ALA 22 25.221 2.526 -15.653 696 3HB ALA 22 1HB ALA 22 25.850 4.105 -15.178 697 H HIS 23 H HIS 23 22.748 1.867 -13.064 698 HA HIS 23 HA HIS 23 21.545 0.505 -15.407 699 1HB HIS 23 1HB HIS 23 21.448 -0.346 -12.508 700 2HB HIS 23 2HB HIS 23 21.138 -1.336 -13.913 701 HD2 HIS 23 HD2 HIS 23 24.159 0.569 -14.930 702 HE1 HIS 23 HE1 HIS 23 25.709 -2.746 -12.813 703 HE2 HIS 23 HE2 HIS 23 26.290 -0.832 -14.387 704 H ILE 24 H ILE 24 20.639 2.719 -12.919 705 HA ILE 24 HA ILE 24 17.829 1.896 -12.911 706 HB ILE 24 HB ILE 24 18.741 4.578 -11.945 707 1HG1 ILE 24 2HG1 ILE 24 19.103 1.946 -10.482 708 2HG1 ILE 24 1HG1 ILE 24 20.396 3.010 -11.035 709 1HG2 ILE 24 3HG2 ILE 24 16.417 2.844 -11.711 710 2HG2 ILE 24 1HG2 ILE 24 17.017 3.338 -10.129 711 3HG2 ILE 24 2HG2 ILE 24 16.575 4.558 -11.325 712 1HD1 ILE 24 1HD1 ILE 24 18.529 4.558 -9.498 713 2HD1 ILE 24 2HD1 ILE 24 18.984 3.132 -8.567 714 3HD1 ILE 24 3HD1 ILE 24 20.229 4.233 -9.154 715 H LYS 25 H LYS 25 16.145 3.617 -13.454 716 HA LYS 25 HA LYS 25 16.954 5.137 -15.904 717 1HB LYS 25 1HB LYS 25 15.073 3.008 -15.643 718 2HB LYS 25 2HB LYS 25 14.170 4.462 -15.949 719 1HG LYS 25 1HG LYS 25 15.833 4.931 -17.843 720 2HG LYS 25 2HG LYS 25 16.343 3.253 -17.650 721 1HD LYS 25 1HD LYS 25 13.798 2.710 -17.805 722 2HD LYS 25 2HD LYS 25 13.656 4.324 -18.498 723 1HE LYS 25 1HE LYS 25 15.712 3.442 -19.975 724 2HE LYS 25 2HE LYS 25 14.966 1.886 -19.613 725 1HZ LYS 25 2HZ LYS 25 12.838 3.392 -20.259 726 2HZ LYS 25 3HZ LYS 25 14.023 4.036 -21.291 727 3HZ LYS 25 1HZ LYS 25 13.661 2.376 -21.342 728 H GLU 26 H GLU 26 14.905 4.980 -13.036 729 HA GLU 26 HA GLU 26 14.728 7.869 -12.879 730 1HB GLU 26 1HB GLU 26 12.027 7.369 -12.839 731 2HB GLU 26 2HB GLU 26 12.865 8.038 -14.192 732 1HG GLU 26 1HG GLU 26 12.950 5.105 -14.127 733 2HG GLU 26 2HG GLU 26 11.323 5.757 -14.208 734 H TYR 27 H TYR 27 12.347 7.837 -11.169 735 HA TYR 27 HA TYR 27 12.785 5.759 -9.186 736 1HB TYR 27 1HB TYR 27 13.289 7.384 -7.359 737 2HB TYR 27 2HB TYR 27 14.562 7.367 -8.580 738 HD1 TYR 27 HD2 TYR 27 11.640 9.242 -7.266 739 HD2 TYR 27 HD1 TYR 27 14.932 9.262 -10.059 740 HE1 TYR 27 HE2 TYR 27 11.236 11.660 -7.724 741 HE2 TYR 27 HE1 TYR 27 14.525 11.678 -10.522 742 HH TYR 27 HH TYR 27 12.276 13.567 -8.613 743 H PHE 28 H PHE 28 11.270 6.484 -7.155 744 HA PHE 28 HA PHE 28 9.039 8.130 -8.042 745 1HB PHE 28 1HB PHE 28 8.402 6.136 -9.208 746 2HB PHE 28 2HB PHE 28 8.786 5.126 -7.837 747 HD1 PHE 28 HD1 PHE 28 6.574 8.034 -8.745 748 HD2 PHE 28 HD2 PHE 28 7.063 4.435 -6.412 749 HE1 PHE 28 HE1 PHE 28 4.254 8.287 -7.865 750 HE2 PHE 28 HE2 PHE 28 4.749 4.690 -5.531 751 HZ PHE 28 HZ PHE 28 3.339 6.611 -6.263 752 H TYR 29 H TYR 29 9.746 9.184 -6.001 753 HA TYR 29 HA TYR 29 9.818 7.926 -3.471 754 1HB TYR 29 1HB TYR 29 10.555 10.229 -3.766 755 2HB TYR 29 2HB TYR 29 8.921 10.728 -4.186 756 HD1 TYR 29 HD1 TYR 29 10.969 9.232 -1.430 757 HD2 TYR 29 HD2 TYR 29 7.349 11.319 -2.511 758 HE1 TYR 29 HE1 TYR 29 10.445 9.572 0.982 759 HE2 TYR 29 HE2 TYR 29 6.825 11.659 -0.100 760 HH TYR 29 HH TYR 29 7.441 10.456 2.110 761 H THR 30 H THR 30 8.271 7.144 -2.171 762 HA THR 30 HA THR 30 5.509 7.029 -3.144 763 HB THR 30 HB THR 30 6.492 6.065 -0.454 764 HG1 THR 30 HG1 THR 30 6.842 4.067 -1.651 765 1HG2 THR 30 3HG2 THR 30 3.992 6.111 -1.475 766 2HG2 THR 30 1HG2 THR 30 4.553 4.584 -2.157 767 3HG2 THR 30 2HG2 THR 30 4.560 4.826 -0.409 768 H SER 31 H SER 31 3.922 8.434 -2.555 769 HA SER 31 HA SER 31 4.410 10.757 -1.008 770 1HB SER 31 1HB SER 31 1.885 9.333 -1.839 771 2HB SER 31 2HB SER 31 1.820 10.774 -0.824 772 HG SER 31 HG SER 31 3.214 10.628 -3.283 773 H GLY 32 H GLY 32 2.098 8.229 0.011 774 1HA GLY 32 2HA GLY 32 3.190 7.349 2.371 775 2HA GLY 32 1HA GLY 32 2.554 8.916 2.811 776 H LYS 33 H LYS 33 1.475 6.036 0.976 777 HA LYS 33 HA LYS 33 -1.251 6.474 2.102 778 1HB LYS 33 1HB LYS 33 -0.293 4.814 -0.242 779 2HB LYS 33 2HB LYS 33 -1.945 4.838 0.325 780 1HG LYS 33 2HG LYS 33 -1.176 7.539 0.073 781 2HG LYS 33 1HG LYS 33 -0.598 6.739 -1.370 782 1HD LYS 33 2HD LYS 33 -2.972 5.652 -1.416 783 2HD LYS 33 1HD LYS 33 -3.412 6.969 -0.355 784 1HE LYS 33 1HE LYS 33 -2.556 8.592 -2.019 785 2HE LYS 33 2HE LYS 33 -2.146 7.254 -3.092 786 1HZ LYS 33 1HZ LYS 33 -4.713 6.734 -2.506 787 2HZ LYS 33 2HZ LYS 33 -4.717 8.432 -2.511 788 3HZ LYS 33 3HZ LYS 33 -4.196 7.580 -3.885 789 H CYS 34 H CYS 34 0.994 3.775 1.383 790 HA CYS 34 HA CYS 34 -0.403 2.053 3.311 791 1HB CYS 34 1HB CYS 34 2.275 1.413 2.083 792 2HB CYS 34 2HB CYS 34 0.990 0.309 2.559 793 H SER 35 H SER 35 1.884 0.723 4.394 794 HA SER 35 HA SER 35 2.886 2.857 6.235 795 1HB SER 35 1HB SER 35 1.482 0.629 6.924 796 2HB SER 35 2HB SER 35 3.131 0.014 7.041 797 HG SER 35 HG SER 35 3.550 1.988 8.293 798 H ASN 36 H ASN 36 4.020 1.995 3.606 799 HA ASN 36 HA ASN 36 6.726 1.194 4.606 800 1HB ASN 36 2HB ASN 36 5.211 0.195 2.191 801 2HB ASN 36 1HB ASN 36 6.966 0.074 2.305 802 1HD2 ASN 36 2HD2 ASN 36 6.902 -2.519 4.733 803 2HD2 ASN 36 1HD2 ASN 36 7.852 -1.506 3.758 804 HA PRO 37 HA PRO 37 6.499 5.207 2.066 805 1HB PRO 37 1HB PRO 37 8.101 6.383 4.179 806 2HB PRO 37 2HB PRO 37 6.489 6.864 3.636 807 1HG PRO 37 2HG PRO 37 7.183 5.485 6.065 808 2HG PRO 37 1HG PRO 37 5.584 5.945 5.519 809 1HD PRO 37 1HD PRO 37 6.692 3.300 5.638 810 2HD PRO 37 2HD PRO 37 5.097 3.777 5.025 811 H ALA 38 H ALA 38 8.177 5.369 0.599 812 HA ALA 38 HA ALA 38 10.956 5.073 1.402 813 1HB ALA 38 2HB ALA 38 10.075 2.699 1.370 814 2HB ALA 38 3HB ALA 38 9.787 2.903 -0.358 815 3HB ALA 38 1HB ALA 38 11.429 2.992 0.278 816 H VAL 39 H VAL 39 11.590 4.035 -1.370 817 HA VAL 39 HA VAL 39 10.585 6.198 -3.076 818 HB VAL 39 HB VAL 39 12.880 6.635 -1.680 819 1HG1 VAL 39 2HG1 VAL 39 13.858 4.670 -3.121 820 2HG1 VAL 39 3HG1 VAL 39 14.001 5.926 -4.353 821 3HG1 VAL 39 1HG1 VAL 39 14.822 6.112 -2.801 822 1HG2 VAL 39 3HG2 VAL 39 11.644 7.677 -4.107 823 2HG2 VAL 39 1HG2 VAL 39 12.267 8.530 -2.689 824 3HG2 VAL 39 2HG2 VAL 39 13.367 8.033 -3.981 825 H VAL 40 H VAL 40 10.510 5.414 -5.186 826 HA VAL 40 HA VAL 40 11.443 2.597 -5.385 827 HB VAL 40 HB VAL 40 8.943 3.966 -6.236 828 1HG1 VAL 40 2HG1 VAL 40 9.803 2.986 -8.338 829 2HG1 VAL 40 3HG1 VAL 40 10.001 1.442 -7.516 830 3HG1 VAL 40 1HG1 VAL 40 8.390 2.117 -7.746 831 1HG2 VAL 40 2HG2 VAL 40 9.789 1.366 -4.945 832 2HG2 VAL 40 3HG2 VAL 40 8.873 2.691 -4.218 833 3HG2 VAL 40 1HG2 VAL 40 8.120 1.667 -5.441 834 H PHE 41 H PHE 41 13.079 2.276 -6.677 835 HA PHE 41 HA PHE 41 13.689 4.161 -8.818 836 1HB PHE 41 1HB PHE 41 15.017 1.694 -7.710 837 2HB PHE 41 2HB PHE 41 15.528 2.361 -9.260 838 HD1 PHE 41 HD1 PHE 41 16.033 4.955 -9.295 839 HD2 PHE 41 HD2 PHE 41 15.958 2.520 -5.731 840 HE1 PHE 41 HE1 PHE 41 17.501 6.603 -8.138 841 HE2 PHE 41 HE2 PHE 41 17.421 4.169 -4.573 842 HZ PHE 41 HZ PHE 41 18.206 6.204 -5.779 843 H VAL 42 H VAL 42 13.488 3.801 -10.910 844 HA VAL 42 HA VAL 42 12.037 1.326 -11.768 845 HB VAL 42 HB VAL 42 11.634 3.287 -13.723 846 1HG1 VAL 42 1HG2 VAL 42 10.089 1.516 -12.768 847 2HG1 VAL 42 2HG2 VAL 42 9.797 2.613 -11.418 848 3HG1 VAL 42 3HG2 VAL 42 9.320 3.076 -13.054 849 1HG2 VAL 42 1HG1 VAL 42 11.210 4.479 -10.976 850 2HG2 VAL 42 2HG1 VAL 42 12.360 5.039 -12.181 851 3HG2 VAL 42 3HG1 VAL 42 10.635 5.174 -12.492 852 H THR 43 H THR 43 14.111 0.316 -12.178 853 HA THR 43 HA THR 43 16.171 1.700 -13.716 854 HB THR 43 HB THR 43 17.510 -0.238 -13.349 855 HG1 THR 43 HG1 THR 43 15.176 -1.606 -12.532 856 1HG2 THR 43 1HG2 THR 43 15.613 0.094 -11.009 857 2HG2 THR 43 2HG2 THR 43 17.206 -0.652 -10.932 858 3HG2 THR 43 3HG2 THR 43 17.054 1.060 -11.317 859 H ARG 44 H ARG 44 17.244 -0.365 -15.237 860 HA ARG 44 HA ARG 44 16.174 0.099 -17.747 861 1HB ARG 44 1HB ARG 44 17.195 -2.282 -18.283 862 2HB ARG 44 2HB ARG 44 18.238 -0.945 -17.886 863 1HG ARG 44 1HG ARG 44 18.987 -1.977 -16.029 864 2HG ARG 44 2HG ARG 44 17.347 -2.307 -15.479 865 1HD ARG 44 1HD ARG 44 17.224 -4.323 -16.771 866 2HD ARG 44 2HD ARG 44 18.697 -3.922 -17.654 867 HE ARG 44 HE ARG 44 19.196 -4.104 -14.809 868 1HH1 ARG 44 1HH2 ARG 44 17.817 -6.887 -15.997 869 2HH1 ARG 44 2HH2 ARG 44 18.972 -7.114 -17.267 870 1HH2 ARG 44 1HH1 ARG 44 21.007 -5.924 -14.622 871 2HH2 ARG 44 2HH1 ARG 44 21.316 -6.410 -16.255 872 H LYS 45 H LYS 45 15.637 -2.995 -15.973 873 HA LYS 45 HA LYS 45 13.440 -3.844 -17.598 874 1HB LYS 45 2HB LYS 45 14.747 -4.929 -15.443 875 2HB LYS 45 1HB LYS 45 13.217 -4.448 -14.707 876 1HG LYS 45 1HG LYS 45 12.476 -5.590 -17.150 877 2HG LYS 45 2HG LYS 45 13.769 -6.634 -16.557 878 1HD LYS 45 1HD LYS 45 12.538 -6.610 -14.304 879 2HD LYS 45 2HD LYS 45 11.177 -5.911 -15.180 880 1HE LYS 45 1HE LYS 45 12.489 -8.598 -15.657 881 2HE LYS 45 2HE LYS 45 10.830 -8.290 -15.148 882 1HZ LYS 45 3HZ LYS 45 10.471 -7.143 -17.278 883 2HZ LYS 45 1HZ LYS 45 12.037 -7.585 -17.767 884 3HZ LYS 45 2HZ LYS 45 10.866 -8.782 -17.479 885 H ASN 46 H ASN 46 13.820 -1.564 -15.033 886 HA ASN 46 HA ASN 46 12.540 0.192 -14.304 887 1HB ASN 46 1HB ASN 46 11.439 -0.491 -16.904 888 2HB ASN 46 2HB ASN 46 10.163 0.025 -15.835 889 1HD2 ASN 46 1HD2 ASN 46 11.192 3.155 -17.227 890 2HD2 ASN 46 2HD2 ASN 46 11.021 1.693 -18.074 891 H ARG 47 H ARG 47 12.112 -2.698 -13.473 892 HA ARG 47 HA ARG 47 9.374 -2.914 -12.604 893 1HB ARG 47 2HB ARG 47 11.974 -3.900 -11.397 894 2HB ARG 47 1HB ARG 47 10.417 -4.270 -10.711 895 1HG ARG 47 1HG ARG 47 10.848 -4.795 -13.624 896 2HG ARG 47 2HG ARG 47 11.557 -5.913 -12.461 897 1HD ARG 47 1HD ARG 47 9.480 -6.894 -12.714 898 2HD ARG 47 2HD ARG 47 9.112 -5.779 -11.398 899 HE ARG 47 HE ARG 47 8.663 -4.405 -13.841 900 1HH1 ARG 47 1HH1 ARG 47 7.054 -6.594 -15.053 901 2HH1 ARG 47 2HH1 ARG 47 6.390 -7.412 -13.678 902 1HH2 ARG 47 2HH2 ARG 47 6.535 -4.376 -11.869 903 2HH2 ARG 47 1HH2 ARG 47 5.294 -5.221 -12.734 904 H GLN 48 H GLN 48 8.744 -2.302 -10.212 905 HA GLN 48 HA GLN 48 9.933 0.340 -9.821 906 1HB GLN 48 2HB GLN 48 7.388 -0.920 -9.046 907 2HB GLN 48 1HB GLN 48 8.049 0.240 -7.887 908 1HG GLN 48 2HG GLN 48 8.322 1.887 -9.679 909 2HG GLN 48 1HG GLN 48 7.759 0.746 -10.862 910 1HE2 GLN 48 1HE2 GLN 48 4.335 0.854 -9.463 911 2HE2 GLN 48 2HE2 GLN 48 5.467 -0.316 -9.940 912 H VAL 49 H VAL 49 11.877 -0.789 -9.331 913 HA VAL 49 HA VAL 49 12.484 -2.336 -7.110 914 HB VAL 49 HB VAL 49 14.408 -0.164 -7.696 915 1HG1 VAL 49 2HG1 VAL 49 14.391 -3.154 -7.398 916 2HG1 VAL 49 3HG1 VAL 49 15.821 -2.309 -7.996 917 3HG1 VAL 49 1HG1 VAL 49 15.194 -1.952 -6.386 918 1HG2 VAL 49 1HG2 VAL 49 13.317 -1.975 -9.854 919 2HG2 VAL 49 2HG2 VAL 49 13.841 -0.302 -10.000 920 3HG2 VAL 49 3HG2 VAL 49 15.033 -1.590 -9.856 921 H CYS 50 H CYS 50 13.578 -1.574 -5.066 922 HA CYS 50 HA CYS 50 12.381 0.969 -4.051 923 1HB CYS 50 2HB CYS 50 11.444 -1.379 -3.259 924 2HB CYS 50 1HB CYS 50 12.888 -1.371 -2.244 925 H ALA 51 H ALA 51 13.648 1.510 -1.820 926 HA ALA 51 HA ALA 51 16.233 0.540 -1.336 927 1HB ALA 51 1HB ALA 51 16.083 2.152 -3.727 928 2HB ALA 51 2HB ALA 51 17.097 2.950 -2.528 929 3HB ALA 51 3HB ALA 51 17.476 1.310 -3.049 930 H ASN 52 H ASN 52 14.054 1.657 0.144 931 HA ASN 52 HA ASN 52 13.805 3.012 2.041 932 1HB ASN 52 1HB ASN 52 16.141 2.159 2.447 933 2HB ASN 52 2HB ASN 52 16.752 3.584 1.606 934 1HD2 ASN 52 1HD2 ASN 52 15.989 3.836 5.474 935 2HD2 ASN 52 2HD2 ASN 52 15.402 2.460 4.671 936 HA PRO 53 HA PRO 53 13.311 6.985 0.167 937 1HB PRO 53 2HB PRO 53 12.102 8.256 2.236 938 2HB PRO 53 1HB PRO 53 11.277 7.072 1.254 939 1HG PRO 53 1HG PRO 53 12.283 6.777 4.038 940 2HG PRO 53 2HG PRO 53 10.977 5.920 3.241 941 1HD PRO 53 2HD PRO 53 13.621 4.954 3.672 942 2HD PRO 53 1HD PRO 53 12.374 4.189 2.667 943 H GLU 54 H GLU 54 14.369 7.056 3.608 944 HA GLU 54 HA GLU 54 16.018 9.459 2.990 945 1HB GLU 54 1HB GLU 54 14.293 9.258 4.967 946 2HB GLU 54 2HB GLU 54 15.612 8.405 5.769 947 1HG GLU 54 1HG GLU 54 17.094 10.306 5.466 948 2HG GLU 54 2HG GLU 54 15.884 11.145 4.496 949 H LYS 55 H LYS 55 17.115 7.065 2.053 950 HA LYS 55 HA LYS 55 19.151 6.261 4.055 951 1HB LYS 55 2HB LYS 55 17.973 5.035 1.705 952 2HB LYS 55 1HB LYS 55 19.715 4.977 1.639 953 1HG LYS 55 1HG LYS 55 18.347 4.276 4.209 954 2HG LYS 55 2HG LYS 55 18.363 3.088 2.904 955 1HD LYS 55 1HD LYS 55 20.792 3.148 2.811 956 2HD LYS 55 2HD LYS 55 20.841 4.463 3.986 957 1HE LYS 55 1HE LYS 55 19.788 2.978 5.670 958 2HE LYS 55 2HE LYS 55 19.790 1.662 4.495 959 1HZ LYS 55 3HZ LYS 55 22.255 3.100 5.284 960 2HZ LYS 55 1HZ LYS 55 21.704 1.717 6.101 961 3HZ LYS 55 2HZ LYS 55 22.123 1.621 4.459 962 H LYS 56 H LYS 56 19.066 8.964 2.804 963 HA LYS 56 HA LYS 56 20.586 10.526 1.983 964 1HB LYS 56 1HB LYS 56 22.438 8.260 2.720 965 2HB LYS 56 2HB LYS 56 23.037 9.780 2.060 966 1HG LYS 56 1HG LYS 56 23.094 9.940 4.476 967 2HG LYS 56 2HG LYS 56 21.793 10.979 3.895 968 1HD LYS 56 1HD LYS 56 20.118 9.476 4.586 969 2HD LYS 56 2HD LYS 56 21.240 8.117 4.659 970 1HE LYS 56 1HE LYS 56 20.791 8.782 6.930 971 2HE LYS 56 2HE LYS 56 22.423 9.330 6.547 972 1HZ LYS 56 2HZ LYS 56 20.991 11.429 5.761 973 2HZ LYS 56 3HZ LYS 56 20.015 10.873 7.035 974 3HZ LYS 56 1HZ LYS 56 21.641 11.272 7.322 975 H TRP 57 H TRP 57 22.504 7.847 0.723 976 HA TRP 57 HA TRP 57 22.917 8.817 -1.817 977 1HB TRP 57 1HB TRP 57 23.454 6.584 -2.507 978 2HB TRP 57 2HB TRP 57 23.937 6.756 -0.817 979 HD1 TRP 57 HD1 TRP 57 22.910 5.021 0.813 980 HE1 TRP 57 HE1 TRP 57 21.223 3.088 0.511 981 HE3 TRP 57 HE3 TRP 57 21.256 6.122 -3.835 982 HZ2 TRP 57 HZ2 TRP 57 19.441 2.090 -1.545 983 HZ3 TRP 57 HZ3 TRP 57 19.653 4.671 -5.002 984 HH2 TRP 57 HH2 TRP 57 18.751 2.648 -3.873 985 H VAL 58 H VAL 58 19.984 7.096 -0.796 986 HA VAL 58 HA VAL 58 18.870 6.715 -3.383 987 HB VAL 58 HB VAL 58 16.612 7.187 -2.062 988 1HG1 VAL 58 2HG1 VAL 58 17.864 5.022 -2.895 989 2HG1 VAL 58 3HG1 VAL 58 18.097 4.773 -1.166 990 3HG1 VAL 58 1HG1 VAL 58 16.468 4.918 -1.830 991 1HG2 VAL 58 2HG2 VAL 58 18.339 7.945 -0.129 992 2HG2 VAL 58 3HG2 VAL 58 16.723 7.315 0.182 993 3HG2 VAL 58 1HG2 VAL 58 18.120 6.245 0.271 994 H ARG 59 H ARG 59 18.440 9.516 -1.189 995 HA ARG 59 HA ARG 59 16.884 11.007 -3.092 996 1HB ARG 59 2HB ARG 59 18.347 11.664 -0.564 997 2HB ARG 59 1HB ARG 59 17.817 12.977 -1.588 998 1HG ARG 59 2HG ARG 59 15.512 11.940 -1.585 999 2HG ARG 59 1HG ARG 59 16.095 10.809 -0.365 1000 1HD ARG 59 1HD ARG 59 16.287 12.453 1.262 1001 2HD ARG 59 2HD ARG 59 16.522 13.741 0.081 1002 HE ARG 59 HE ARG 59 13.946 13.010 -0.423 1003 1HH1 ARG 59 1HH1 ARG 59 15.556 14.792 1.913 1004 2HH1 ARG 59 2HH1 ARG 59 14.127 15.069 2.850 1005 1HH2 ARG 59 1HH2 ARG 59 12.380 12.442 1.392 1006 2HH2 ARG 59 2HH2 ARG 59 12.439 13.543 2.727 1007 H GLU 60 H GLU 60 20.322 10.630 -2.513 1008 HA GLU 60 HA GLU 60 21.194 12.845 -4.143 1009 1HB GLU 60 2HB GLU 60 22.472 10.353 -3.072 1010 2HB GLU 60 1HB GLU 60 23.304 11.264 -4.309 1011 1HG GLU 60 1HG GLU 60 23.015 13.325 -2.885 1012 2HG GLU 60 2HG GLU 60 22.388 12.280 -1.611 1013 H TYR 61 H TYR 61 19.860 9.755 -4.857 1014 HA TYR 61 HA TYR 61 20.923 9.737 -7.621 1015 1HB TYR 61 1HB TYR 61 19.325 7.807 -5.935 1016 2HB TYR 61 2HB TYR 61 19.399 7.618 -7.685 1017 HD1 TYR 61 HD1 TYR 61 22.050 8.776 -5.270 1018 HD2 TYR 61 HD2 TYR 61 20.772 5.744 -8.065 1019 HE1 TYR 61 HE1 TYR 61 24.239 7.619 -5.014 1020 HE2 TYR 61 HE2 TYR 61 22.966 4.590 -7.813 1021 HH TYR 61 HH TYR 61 24.787 4.451 -6.109 1022 H ILE 62 H ILE 62 18.001 10.283 -5.761 1023 HA ILE 62 HA ILE 62 16.077 10.317 -7.837 1024 HB ILE 62 HB ILE 62 16.284 11.941 -5.282 1025 1HG1 ILE 62 2HG1 ILE 62 14.612 9.519 -5.991 1026 2HG1 ILE 62 1HG1 ILE 62 16.107 9.453 -5.092 1027 1HG2 ILE 62 2HG2 ILE 62 14.535 12.347 -7.486 1028 2HG2 ILE 62 3HG2 ILE 62 13.588 11.596 -6.203 1029 3HG2 ILE 62 1HG2 ILE 62 14.460 13.098 -5.894 1030 1HD1 ILE 62 2HD1 ILE 62 14.882 11.299 -3.608 1031 2HD1 ILE 62 3HD1 ILE 62 13.444 10.512 -4.259 1032 3HD1 ILE 62 1HD1 ILE 62 14.616 9.578 -3.329 1033 H ASN 63 H ASN 63 17.935 13.083 -6.501 1034 HA ASN 63 HA ASN 63 17.055 14.837 -8.657 1035 1HB ASN 63 2HB ASN 63 18.991 15.072 -6.365 1036 2HB ASN 63 1HB ASN 63 18.982 16.291 -7.641 1037 1HD2 ASN 63 2HD2 ASN 63 15.522 15.438 -5.689 1038 2HD2 ASN 63 1HD2 ASN 63 16.950 15.173 -4.810 1039 H SER 64 H SER 64 19.867 12.813 -8.020 1040 HA SER 64 HA SER 64 21.494 13.945 -10.135 1041 1HB SER 64 2HB SER 64 22.478 12.684 -8.254 1042 2HB SER 64 1HB SER 64 21.661 11.237 -8.789 1043 HG SER 64 HG SER 64 23.994 12.008 -9.534 1044 H LEU 65 H LEU 65 18.738 11.943 -10.185 1045 HA LEU 65 HA LEU 65 19.508 10.496 -12.628 1046 1HB LEU 65 2HB LEU 65 17.167 10.504 -10.783 1047 2HB LEU 65 1HB LEU 65 16.887 9.990 -12.429 1048 HG LEU 65 HG LEU 65 19.038 8.866 -10.617 1049 1HD1 LEU 65 3HD1 LEU 65 16.210 8.084 -11.184 1050 2HD1 LEU 65 1HD1 LEU 65 17.401 6.792 -11.037 1051 3HD1 LEU 65 2HD1 LEU 65 17.146 7.912 -9.698 1052 1HD2 LEU 65 3HD2 LEU 65 18.515 8.717 -13.474 1053 2HD2 LEU 65 1HD2 LEU 65 19.902 8.119 -12.564 1054 3HD2 LEU 65 2HD2 LEU 65 18.459 7.117 -12.732 1055 H GLU 66 H GLU 66 19.126 11.248 -14.660 1056 HA GLU 66 HA GLU 66 17.254 13.568 -14.941 1057 1HB GLU 66 1HB GLU 66 19.821 12.985 -16.450 1058 2HB GLU 66 2HB GLU 66 18.705 14.290 -16.846 1059 1HG GLU 66 1HG GLU 66 19.463 14.215 -14.006 1060 2HG GLU 66 2HG GLU 66 20.823 14.502 -15.091 1061 H MET 67 H MET 67 16.436 13.737 -17.289 1062 HA MET 67 HA MET 67 15.091 11.313 -17.989 1063 1HB MET 67 1HB MET 67 14.259 13.577 -18.585 1064 2HB MET 67 2HB MET 67 15.598 13.753 -19.719 1065 1HG MET 67 1HG MET 67 14.797 11.919 -21.064 1066 2HG MET 67 2HG MET 67 13.590 11.488 -19.852 1067 1HE MET 67 1HE MET 67 11.720 11.986 -19.626 1068 2HE MET 67 3HE MET 67 10.925 13.552 -19.795 1069 3HE MET 67 2HE MET 67 10.812 12.360 -21.091 1070 H SER 68 H SER 68 17.864 12.971 -19.525 1071 HA SER 68 HA SER 68 18.559 10.343 -20.776 1072 1HB SER 68 1HB SER 68 17.668 12.237 -22.328 1073 2HB SER 68 2HB SER 68 19.241 12.985 -22.054 1074 HG SER 68 HG SER 68 19.449 11.694 -23.828 No H/Q in entry = 1074 Start of MODEL 5 1 H SER 1 H SER 1 6.886 -16.589 -5.008 2 HA SER 1 HA SER 1 9.640 -17.123 -5.402 3 1HB SER 1 1HB SER 1 8.147 -16.492 -7.844 4 2HB SER 1 2HB SER 1 9.497 -15.391 -7.564 5 HG SER 1 HG SER 1 10.785 -16.933 -8.103 6 HA PRO 2 HA PRO 2 8.266 -13.191 -3.299 7 1HB PRO 2 1HB PRO 2 10.211 -13.810 -1.256 8 2HB PRO 2 2HB PRO 2 8.450 -13.769 -1.103 9 1HG PRO 2 1HG PRO 2 10.168 -16.088 -1.143 10 2HG PRO 2 2HG PRO 2 8.407 -16.049 -0.993 11 1HD PRO 2 1HD PRO 2 9.971 -16.870 -3.274 12 2HD PRO 2 2HD PRO 2 8.203 -16.831 -3.122 13 H TYR 3 H TYR 3 9.347 -11.337 -3.862 14 HA TYR 3 HA TYR 3 12.245 -11.589 -4.537 15 1HB TYR 3 1HB TYR 3 10.002 -10.340 -5.864 16 2HB TYR 3 2HB TYR 3 11.238 -9.134 -5.509 17 HD1 TYR 3 HD2 TYR 3 11.541 -12.797 -6.295 18 HD2 TYR 3 HD1 TYR 3 12.420 -8.749 -7.515 19 HE1 TYR 3 HE2 TYR 3 12.928 -13.664 -8.176 20 HE2 TYR 3 HE1 TYR 3 13.806 -9.617 -9.396 21 HH TYR 3 HH TYR 3 14.933 -11.549 -10.116 22 H SER 4 H SER 4 9.922 -9.217 -3.178 23 HA SER 4 HA SER 4 10.252 -7.551 -1.559 24 1HB SER 4 1HB SER 4 12.652 -8.906 -0.449 25 2HB SER 4 2HB SER 4 11.211 -8.313 0.378 26 HG SER 4 HG SER 4 10.960 -10.452 0.443 27 H SER 5 H SER 5 11.031 -6.227 -3.443 28 HA SER 5 HA SER 5 13.535 -4.942 -2.804 29 1HB SER 5 1HB SER 5 14.670 -5.470 -4.982 30 2HB SER 5 2HB SER 5 14.530 -6.863 -3.910 31 HG SER 5 HG SER 5 13.895 -7.237 -6.131 32 H ASP 6 H ASP 6 11.047 -5.543 -5.258 33 HA ASP 6 HA ASP 6 11.258 -2.687 -6.113 34 1HB ASP 6 1HB ASP 6 9.992 -3.391 -8.095 35 2HB ASP 6 2HB ASP 6 11.373 -4.460 -7.881 36 H THR 7 H THR 7 8.469 -2.765 -7.137 37 HA THR 7 HA THR 7 7.231 -1.944 -4.641 38 HB THR 7 HB THR 7 6.845 -0.701 -6.757 39 HG1 THR 7 HG1 THR 7 4.941 -0.225 -6.035 40 1HG2 THR 7 1HG2 THR 7 6.775 -2.968 -8.067 41 2HG2 THR 7 2HG2 THR 7 5.062 -2.955 -7.649 42 3HG2 THR 7 3HG2 THR 7 5.746 -1.640 -8.604 43 H THR 8 H THR 8 4.835 -2.721 -4.308 44 HA THR 8 HA THR 8 4.522 -5.594 -4.991 45 HB THR 8 HB THR 8 4.213 -4.600 -2.148 46 HG1 THR 8 HG1 THR 8 6.382 -5.960 -3.368 47 1HG2 THR 8 3HG2 THR 8 3.046 -6.721 -3.121 48 2HG2 THR 8 1HG2 THR 8 4.662 -7.426 -3.090 49 3HG2 THR 8 2HG2 THR 8 3.917 -6.866 -1.593 50 HA PRO 9 HA PRO 9 0.487 -3.827 -5.746 51 1HB PRO 9 1HB PRO 9 -0.573 -6.492 -6.075 52 2HB PRO 9 2HB PRO 9 -0.206 -5.307 -7.333 53 1HG PRO 9 2HG PRO 9 1.256 -7.717 -6.695 54 2HG PRO 9 1HG PRO 9 1.620 -6.535 -7.955 55 1HD PRO 9 2HD PRO 9 3.021 -6.974 -5.501 56 2HD PRO 9 1HD PRO 9 3.375 -5.790 -6.748 57 H CYS 10 H CYS 10 -0.919 -3.273 -4.138 58 HA CYS 10 HA CYS 10 -2.138 -5.213 -2.377 59 1HB CYS 10 1HB CYS 10 0.026 -5.154 -1.259 60 2HB CYS 10 2HB CYS 10 0.021 -3.409 -1.254 61 H CYS 11 H CYS 11 -3.882 -4.318 -1.269 62 HA CYS 11 HA CYS 11 -4.781 -1.767 -2.318 63 1HB CYS 11 1HB CYS 11 -6.538 -3.292 -2.084 64 2HB CYS 11 2HB CYS 11 -5.971 -3.883 -0.551 65 H PHE 12 H PHE 12 -5.185 0.127 -1.055 66 HA PHE 12 HA PHE 12 -3.565 0.269 1.450 67 1HB PHE 12 1HB PHE 12 -2.807 1.800 -0.305 68 2HB PHE 12 2HB PHE 12 -4.419 2.445 -0.478 69 HD1 PHE 12 HD2 PHE 12 -2.648 1.544 2.692 70 HD2 PHE 12 HD1 PHE 12 -4.161 4.719 0.185 71 HE1 PHE 12 HE2 PHE 12 -2.182 3.194 4.500 72 HE2 PHE 12 HE1 PHE 12 -3.693 6.369 1.993 73 HZ PHE 12 HZ PHE 12 -2.703 5.607 4.151 74 H ALA 13 H ALA 13 -6.723 0.708 0.043 75 HA ALA 13 HA ALA 13 -7.947 0.819 2.686 76 1HB ALA 13 1HB ALA 13 -7.242 3.269 1.621 77 2HB ALA 13 2HB ALA 13 -8.913 3.085 1.088 78 3HB ALA 13 3HB ALA 13 -8.523 3.013 2.806 79 H TYR 14 H TYR 14 -10.134 0.244 2.597 80 HA TYR 14 HA TYR 14 -10.966 -0.697 -0.087 81 1HB TYR 14 1HB TYR 14 -12.833 -1.611 1.853 82 2HB TYR 14 2HB TYR 14 -11.657 -2.564 0.957 83 HD1 TYR 14 HD2 TYR 14 -12.298 -0.731 4.118 84 HD2 TYR 14 HD1 TYR 14 -9.567 -3.288 1.964 85 HE1 TYR 14 HE2 TYR 14 -11.028 -1.147 6.223 86 HE2 TYR 14 HE1 TYR 14 -8.294 -3.699 4.065 87 HH TYR 14 HH TYR 14 -7.978 -2.940 6.208 88 H ILE 15 H ILE 15 -12.897 0.000 -1.025 89 HA ILE 15 HA ILE 15 -13.938 2.542 -0.090 90 HB ILE 15 HB ILE 15 -15.592 2.193 -1.984 91 1HG1 ILE 15 2HG1 ILE 15 -13.894 -0.178 -2.728 92 2HG1 ILE 15 1HG1 ILE 15 -15.311 -0.390 -1.701 93 1HG2 ILE 15 2HG2 ILE 15 -13.212 3.211 -2.134 94 2HG2 ILE 15 3HG2 ILE 15 -12.762 1.686 -2.896 95 3HG2 ILE 15 1HG2 ILE 15 -13.988 2.713 -3.638 96 1HD1 ILE 15 3HD1 ILE 15 -15.463 1.114 -4.316 97 2HD1 ILE 15 1HD1 ILE 15 -15.659 -0.638 -4.245 98 3HD1 ILE 15 2HD1 ILE 15 -16.783 0.412 -3.380 99 H ALA 16 H ALA 16 -16.501 2.694 -0.061 100 HA ALA 16 HA ALA 16 -17.433 0.585 1.841 101 1HB ALA 16 3HB ALA 16 -17.283 2.929 2.717 102 2HB ALA 16 1HB ALA 16 -18.470 3.414 1.507 103 3HB ALA 16 2HB ALA 16 -18.918 2.271 2.773 104 H ARG 17 H ARG 17 -17.991 -0.691 -0.132 105 HA ARG 17 HA ARG 17 -20.752 -0.598 -0.745 106 1HB ARG 17 1HB ARG 17 -19.187 1.275 -2.256 107 2HB ARG 17 2HB ARG 17 -19.788 0.039 -3.334 108 1HG ARG 17 1HG ARG 17 -22.059 0.400 -2.091 109 2HG ARG 17 2HG ARG 17 -21.341 1.932 -1.593 110 1HD ARG 17 1HD ARG 17 -22.428 2.498 -3.599 111 2HD ARG 17 2HD ARG 17 -20.769 2.211 -4.123 112 HE ARG 17 HE ARG 17 -21.700 -0.205 -4.606 113 1HH1 ARG 17 2HH1 ARG 17 -24.578 0.706 -4.092 114 2HH1 ARG 17 1HH1 ARG 17 -24.990 1.607 -5.514 115 1HH2 ARG 17 2HH2 ARG 17 -22.111 1.456 -7.086 116 2HH2 ARG 17 1HH2 ARG 17 -23.519 0.484 -7.360 117 HA PRO 18 HA PRO 18 -18.783 -4.599 -1.616 118 1HB PRO 18 2HB PRO 18 -21.436 -5.641 -2.079 119 2HB PRO 18 1HB PRO 18 -20.353 -5.975 -0.731 120 1HG PRO 18 1HG PRO 18 -22.712 -4.307 -0.725 121 2HG PRO 18 2HG PRO 18 -21.676 -4.714 0.626 122 1HD PRO 18 2HD PRO 18 -21.874 -2.193 -0.659 123 2HD PRO 18 1HD PRO 18 -20.702 -2.654 0.562 124 H LEU 19 H LEU 19 -17.991 -5.000 -3.625 125 HA LEU 19 HA LEU 19 -19.351 -3.948 -5.994 126 1HB LEU 19 2HB LEU 19 -16.977 -5.797 -6.060 127 2HB LEU 19 1HB LEU 19 -17.403 -4.540 -7.193 128 HG LEU 19 HG LEU 19 -16.457 -4.113 -4.347 129 1HD1 LEU 19 2HD1 LEU 19 -14.782 -4.833 -6.152 130 2HD1 LEU 19 3HD1 LEU 19 -15.113 -3.281 -6.922 131 3HD1 LEU 19 1HD1 LEU 19 -14.422 -3.331 -5.300 132 1HD2 LEU 19 1HD2 LEU 19 -18.062 -2.465 -5.992 133 2HD2 LEU 19 2HD2 LEU 19 -17.248 -2.009 -4.496 134 3HD2 LEU 19 3HD2 LEU 19 -16.438 -1.779 -6.045 135 HA PRO 20 HA PRO 20 -21.774 -7.692 -6.424 136 1HB PRO 20 1HB PRO 20 -22.132 -7.088 -9.245 137 2HB PRO 20 2HB PRO 20 -23.326 -7.006 -7.943 138 1HG PRO 20 1HG PRO 20 -22.048 -4.805 -9.276 139 2HG PRO 20 2HG PRO 20 -23.180 -4.728 -7.922 140 1HD PRO 20 1HD PRO 20 -20.343 -4.207 -7.888 141 2HD PRO 20 2HD PRO 20 -21.479 -4.131 -6.528 142 H ARG 21 H ARG 21 -20.775 -9.639 -6.663 143 HA ARG 21 HA ARG 21 -18.291 -10.122 -7.809 144 1HB ARG 21 2HB ARG 21 -18.813 -12.475 -7.780 145 2HB ARG 21 1HB ARG 21 -19.602 -11.735 -6.391 146 1HG ARG 21 1HG ARG 21 -21.036 -12.163 -9.017 147 2HG ARG 21 2HG ARG 21 -21.020 -13.368 -7.756 148 1HD ARG 21 1HD ARG 21 -21.781 -11.369 -6.231 149 2HD ARG 21 2HD ARG 21 -22.282 -10.656 -7.745 150 HE ARG 21 HE ARG 21 -23.686 -12.729 -6.384 151 1HH1 ARG 21 1HH1 ARG 21 -22.959 -14.553 -8.534 152 2HH1 ARG 21 2HH1 ARG 21 -23.531 -13.857 -10.013 153 1HH2 ARG 21 2HH2 ARG 21 -24.699 -11.305 -9.432 154 2HH2 ARG 21 1HH2 ARG 21 -25.802 -12.336 -8.585 155 H ALA 22 H ALA 22 -21.353 -9.801 -9.455 156 HA ALA 22 HA ALA 22 -20.520 -11.007 -11.944 157 1HB ALA 22 1HB ALA 22 -22.797 -9.345 -11.002 158 2HB ALA 22 2HB ALA 22 -22.439 -9.265 -12.727 159 3HB ALA 22 3HB ALA 22 -22.806 -10.817 -11.974 160 H HIS 23 H HIS 23 -20.686 -7.621 -10.817 161 HA HIS 23 HA HIS 23 -19.594 -6.483 -13.209 162 1HB HIS 23 2HB HIS 23 -19.429 -5.461 -10.356 163 2HB HIS 23 1HB HIS 23 -19.116 -4.509 -11.806 164 HD2 HIS 23 HD2 HIS 23 -22.176 -6.889 -12.076 165 HE1 HIS 23 HE1 HIS 23 -23.673 -3.001 -11.363 166 HE2 HIS 23 HE2 HIS 23 -24.304 -5.386 -11.986 167 H ILE 24 H ILE 24 -18.112 -8.061 -10.436 168 HA ILE 24 HA ILE 24 -15.441 -7.096 -11.148 169 HB ILE 24 HB ILE 24 -15.999 -9.425 -9.345 170 1HG1 ILE 24 1HG1 ILE 24 -16.114 -6.487 -8.636 171 2HG1 ILE 24 2HG1 ILE 24 -17.434 -7.617 -8.571 172 1HG2 ILE 24 3HG2 ILE 24 -13.724 -7.736 -10.059 173 2HG2 ILE 24 1HG2 ILE 24 -13.946 -7.885 -8.319 174 3HG2 ILE 24 2HG2 ILE 24 -13.750 -9.329 -9.308 175 1HD1 ILE 24 1HD1 ILE 24 -15.272 -8.720 -7.080 176 2HD1 ILE 24 2HD1 ILE 24 -15.545 -7.064 -6.536 177 3HD1 ILE 24 3HD1 ILE 24 -16.865 -8.234 -6.501 178 H LYS 25 H LYS 25 -13.702 -8.618 -11.782 179 HA LYS 25 HA LYS 25 -14.766 -10.924 -13.370 180 1HB LYS 25 1HB LYS 25 -12.457 -9.057 -13.984 181 2HB LYS 25 2HB LYS 25 -12.800 -10.532 -14.890 182 1HG LYS 25 1HG LYS 25 -15.055 -8.619 -14.486 183 2HG LYS 25 2HG LYS 25 -13.796 -8.153 -15.629 184 1HD LYS 25 1HD LYS 25 -14.568 -10.943 -15.960 185 2HD LYS 25 2HD LYS 25 -15.947 -9.861 -16.148 186 1HE LYS 25 1HE LYS 25 -14.986 -10.004 -18.318 187 2HE LYS 25 2HE LYS 25 -14.423 -8.460 -17.677 188 1HZ LYS 25 2HZ LYS 25 -12.440 -9.828 -16.843 189 2HZ LYS 25 3HZ LYS 25 -12.940 -10.991 -17.975 190 3HZ LYS 25 1HZ LYS 25 -12.507 -9.432 -18.493 191 H GLU 26 H GLU 26 -12.481 -9.828 -11.003 192 HA GLU 26 HA GLU 26 -11.732 -12.521 -10.294 193 1HB GLU 26 1HB GLU 26 -9.170 -11.761 -10.666 194 2HB GLU 26 2HB GLU 26 -10.064 -12.645 -11.882 195 1HG GLU 26 1HG GLU 26 -10.438 -9.737 -12.039 196 2HG GLU 26 2HG GLU 26 -8.790 -10.244 -12.291 197 H TYR 27 H TYR 27 -9.368 -11.847 -8.841 198 HA TYR 27 HA TYR 27 -9.792 -9.368 -7.411 199 1HB TYR 27 2HB TYR 27 -10.605 -10.215 -5.352 200 2HB TYR 27 1HB TYR 27 -11.568 -11.047 -6.558 201 HD1 TYR 27 HD2 TYR 27 -11.149 -13.407 -7.160 202 HD2 TYR 27 HD1 TYR 27 -8.943 -11.447 -4.007 203 HE1 TYR 27 HE2 TYR 27 -10.364 -15.622 -6.335 204 HE2 TYR 27 HE1 TYR 27 -8.152 -13.666 -3.186 205 HH TYR 27 HH TYR 27 -7.853 -15.935 -3.990 206 H PHE 28 H PHE 28 -8.169 -9.492 -5.352 207 HA PHE 28 HA PHE 28 -5.930 -11.270 -6.034 208 1HB PHE 28 2HB PHE 28 -5.294 -9.495 -7.431 209 2HB PHE 28 1HB PHE 28 -5.889 -8.276 -6.310 210 HD1 PHE 28 HD1 PHE 28 -3.579 -11.215 -5.845 211 HD2 PHE 28 HD2 PHE 28 -4.100 -6.937 -5.611 212 HE1 PHE 28 HE1 PHE 28 -1.359 -11.004 -4.734 213 HE2 PHE 28 HE2 PHE 28 -1.883 -6.725 -4.501 214 HZ PHE 28 HZ PHE 28 -0.502 -8.757 -4.075 215 H TYR 29 H TYR 29 -6.527 -12.146 -3.895 216 HA TYR 29 HA TYR 29 -6.549 -10.631 -1.510 217 1HB TYR 29 2HB TYR 29 -7.217 -12.999 -1.602 218 2HB TYR 29 1HB TYR 29 -5.558 -13.459 -1.889 219 HD1 TYR 29 HD1 TYR 29 -3.852 -13.274 -0.120 220 HD2 TYR 29 HD2 TYR 29 -7.971 -12.195 0.587 221 HE1 TYR 29 HE1 TYR 29 -3.426 -13.261 2.335 222 HE2 TYR 29 HE2 TYR 29 -7.547 -12.184 3.042 223 HH TYR 29 HH TYR 29 -4.548 -13.370 4.403 224 H THR 30 H THR 30 -4.991 -9.690 -0.345 225 HA THR 30 HA THR 30 -2.249 -9.678 -1.417 226 HB THR 30 HB THR 30 -2.228 -8.216 0.958 227 HG1 THR 30 HG1 THR 30 -4.644 -7.733 -0.433 228 1HG2 THR 30 3HG2 THR 30 -2.351 -7.702 -1.956 229 2HG2 THR 30 1HG2 THR 30 -2.797 -6.339 -0.929 230 3HG2 THR 30 2HG2 THR 30 -1.214 -7.095 -0.751 231 H SER 31 H SER 31 -0.573 -10.834 -0.575 232 HA SER 31 HA SER 31 -1.033 -12.877 1.383 233 1HB SER 31 1HB SER 31 0.940 -12.344 -0.463 234 2HB SER 31 2HB SER 31 1.762 -12.014 1.062 235 HG SER 31 HG SER 31 1.827 -14.065 1.400 236 H GLY 32 H GLY 32 1.394 -12.537 2.977 237 1HA GLY 32 2HA GLY 32 0.303 -10.610 4.939 238 2HA GLY 32 1HA GLY 32 1.500 -11.835 5.277 239 H LYS 33 H LYS 33 1.839 -9.822 2.447 240 HA LYS 33 HA LYS 33 4.413 -8.850 3.410 241 1HB LYS 33 2HB LYS 33 2.902 -7.906 0.967 242 2HB LYS 33 1HB LYS 33 4.623 -7.815 1.251 243 1HG LYS 33 1HG LYS 33 4.385 -10.439 1.513 244 2HG LYS 33 2HG LYS 33 2.952 -10.188 0.546 245 1HD LYS 33 1HD LYS 33 5.376 -8.791 -0.405 246 2HD LYS 33 2HD LYS 33 5.428 -10.534 -0.514 247 1HE LYS 33 1HE LYS 33 3.121 -8.878 -1.554 248 2HE LYS 33 2HE LYS 33 4.478 -9.388 -2.558 249 1HZ LYS 33 1HZ LYS 33 3.195 -11.465 -0.982 250 2HZ LYS 33 2HZ LYS 33 2.272 -10.825 -2.256 251 3HZ LYS 33 3HZ LYS 33 3.790 -11.516 -2.572 252 H CYS 34 H CYS 34 1.674 -6.957 2.105 253 HA CYS 34 HA CYS 34 2.466 -4.663 3.736 254 1HB CYS 34 1HB CYS 34 0.369 -3.619 2.765 255 2HB CYS 34 2HB CYS 34 1.555 -4.147 1.574 256 H SER 35 H SER 35 0.811 -3.577 5.179 257 HA SER 35 HA SER 35 -0.408 -5.642 6.918 258 1HB SER 35 1HB SER 35 -0.643 -2.814 7.714 259 2HB SER 35 2HB SER 35 -0.049 -4.196 8.634 260 HG SER 35 HG SER 35 1.308 -2.444 6.951 261 H ASN 36 H ASN 36 -1.625 -4.866 4.308 262 HA ASN 36 HA ASN 36 -4.267 -3.988 5.388 263 1HB ASN 36 2HB ASN 36 -2.672 -2.856 3.179 264 2HB ASN 36 1HB ASN 36 -4.348 -3.154 2.783 265 1HD2 ASN 36 1HD2 ASN 36 -5.791 -0.766 4.310 266 2HD2 ASN 36 2HD2 ASN 36 -5.793 -2.191 5.232 267 HA PRO 37 HA PRO 37 -4.260 -8.113 3.104 268 1HB PRO 37 1HB PRO 37 -5.982 -9.069 5.227 269 2HB PRO 37 2HB PRO 37 -4.364 -9.635 4.797 270 1HG PRO 37 1HG PRO 37 -5.126 -8.062 7.088 271 2HG PRO 37 2HG PRO 37 -3.504 -8.601 6.641 272 1HD PRO 37 2HD PRO 37 -4.579 -5.930 6.502 273 2HD PRO 37 1HD PRO 37 -2.954 -6.473 6.048 274 H ALA 38 H ALA 38 -5.989 -8.685 1.773 275 HA ALA 38 HA ALA 38 -8.751 -8.255 2.308 276 1HB ALA 38 1HB ALA 38 -8.040 -5.843 2.237 277 2HB ALA 38 2HB ALA 38 -7.497 -6.088 0.579 278 3HB ALA 38 3HB ALA 38 -9.206 -6.248 0.982 279 H VAL 39 H VAL 39 -9.112 -7.304 -0.635 280 HA VAL 39 HA VAL 39 -7.870 -9.456 -2.182 281 HB VAL 39 HB VAL 39 -10.252 -10.089 -3.053 282 1HG1 VAL 39 3HG1 VAL 39 -8.499 -11.194 -1.168 283 2HG1 VAL 39 1HG1 VAL 39 -10.100 -11.332 -0.440 284 3HG1 VAL 39 2HG1 VAL 39 -9.790 -12.031 -2.029 285 1HG2 VAL 39 2HG2 VAL 39 -11.262 -8.261 -1.551 286 2HG2 VAL 39 3HG2 VAL 39 -12.062 -9.830 -1.559 287 3HG2 VAL 39 1HG2 VAL 39 -11.005 -9.384 -0.220 288 H VAL 40 H VAL 40 -7.039 -7.879 -3.466 289 HA VAL 40 HA VAL 40 -8.468 -5.559 -4.270 290 HB VAL 40 HB VAL 40 -5.923 -6.888 -4.972 291 1HG1 VAL 40 1HG1 VAL 40 -6.875 -6.472 -7.226 292 2HG1 VAL 40 2HG1 VAL 40 -7.155 -4.791 -6.780 293 3HG1 VAL 40 3HG1 VAL 40 -5.508 -5.410 -6.892 294 1HG2 VAL 40 3HG2 VAL 40 -6.964 -4.174 -4.194 295 2HG2 VAL 40 1HG2 VAL 40 -5.816 -5.203 -3.334 296 3HG2 VAL 40 2HG2 VAL 40 -5.315 -4.355 -4.798 297 H PHE 41 H PHE 41 -10.280 -5.618 -5.417 298 HA PHE 41 HA PHE 41 -10.871 -7.824 -7.191 299 1HB PHE 41 1HB PHE 41 -12.275 -5.289 -6.399 300 2HB PHE 41 2HB PHE 41 -12.842 -6.195 -7.798 301 HD1 PHE 41 HD2 PHE 41 -12.429 -8.995 -7.018 302 HD2 PHE 41 HD1 PHE 41 -13.805 -5.657 -4.661 303 HE1 PHE 41 HE2 PHE 41 -13.717 -10.557 -5.566 304 HE2 PHE 41 HE1 PHE 41 -15.078 -7.216 -3.202 305 HZ PHE 41 HZ PHE 41 -15.057 -9.665 -3.656 306 H VAL 42 H VAL 42 -11.075 -7.785 -9.329 307 HA VAL 42 HA VAL 42 -9.848 -5.499 -10.813 308 HB VAL 42 HB VAL 42 -9.409 -7.839 -12.313 309 1HG1 VAL 42 3HG2 VAL 42 -7.622 -6.153 -10.554 310 2HG1 VAL 42 1HG2 VAL 42 -7.006 -7.325 -11.721 311 3HG1 VAL 42 2HG2 VAL 42 -7.924 -5.928 -12.279 312 1HG2 VAL 42 3HG1 VAL 42 -8.562 -8.236 -9.434 313 2HG2 VAL 42 1HG1 VAL 42 -9.736 -9.206 -10.311 314 3HG2 VAL 42 2HG1 VAL 42 -8.047 -9.234 -10.795 315 H THR 43 H THR 43 -12.128 -4.879 -11.042 316 HA THR 43 HA THR 43 -14.046 -6.762 -12.193 317 HB THR 43 HB THR 43 -15.676 -5.080 -11.817 318 HG1 THR 43 HG1 THR 43 -15.188 -2.953 -11.739 319 1HG2 THR 43 1HG2 THR 43 -14.551 -5.989 -9.754 320 2HG2 THR 43 2HG2 THR 43 -13.533 -4.551 -9.742 321 3HG2 THR 43 3HG2 THR 43 -15.278 -4.398 -9.533 322 H ARG 44 H ARG 44 -15.598 -4.992 -13.752 323 HA ARG 44 HA ARG 44 -14.757 -5.577 -16.317 324 1HB ARG 44 1HB ARG 44 -16.143 -3.447 -16.958 325 2HB ARG 44 2HB ARG 44 -16.954 -4.801 -16.223 326 1HG ARG 44 1HG ARG 44 -17.622 -3.503 -14.515 327 2HG ARG 44 2HG ARG 44 -15.949 -3.116 -14.129 328 1HD ARG 44 1HD ARG 44 -16.443 -1.000 -14.750 329 2HD ARG 44 2HD ARG 44 -16.450 -1.604 -16.407 330 HE ARG 44 HE ARG 44 -19.008 -2.147 -15.411 331 1HH1 ARG 44 1HH2 ARG 44 -18.358 0.651 -14.004 332 2HH1 ARG 44 2HH2 ARG 44 -19.807 1.200 -14.778 333 1HH2 ARG 44 1HH1 ARG 44 -19.728 -0.209 -17.525 334 2HH2 ARG 44 2HH1 ARG 44 -18.388 0.881 -17.397 335 H LYS 45 H LYS 45 -14.400 -2.297 -14.870 336 HA LYS 45 HA LYS 45 -12.520 -1.361 -16.822 337 1HB LYS 45 2HB LYS 45 -13.573 0.181 -15.208 338 2HB LYS 45 1HB LYS 45 -12.757 -0.638 -13.877 339 1HG LYS 45 1HG LYS 45 -10.643 0.162 -14.516 340 2HG LYS 45 2HG LYS 45 -11.164 0.496 -16.167 341 1HD LYS 45 1HD LYS 45 -12.752 2.237 -15.139 342 2HD LYS 45 2HD LYS 45 -11.819 2.043 -13.654 343 1HE LYS 45 1HE LYS 45 -10.352 2.525 -16.225 344 2HE LYS 45 2HE LYS 45 -11.141 3.887 -15.430 345 1HZ LYS 45 3HZ LYS 45 -9.561 2.131 -13.732 346 2HZ LYS 45 1HZ LYS 45 -8.691 3.090 -14.832 347 3HZ LYS 45 2HZ LYS 45 -9.724 3.821 -13.697 348 H ASN 46 H ASN 46 -12.340 -3.363 -14.006 349 HA ASN 46 HA ASN 46 -10.786 -4.874 -13.261 350 1HB ASN 46 2HB ASN 46 -10.108 -4.431 -16.053 351 2HB ASN 46 1HB ASN 46 -8.659 -4.689 -15.117 352 1HD2 ASN 46 1HD2 ASN 46 -9.417 -7.885 -16.184 353 2HD2 ASN 46 2HD2 ASN 46 -10.376 -6.749 -17.002 354 H ARG 47 H ARG 47 -10.523 -1.810 -12.935 355 HA ARG 47 HA ARG 47 -7.730 -1.308 -12.438 356 1HB ARG 47 1HB ARG 47 -8.728 0.143 -10.492 357 2HB ARG 47 2HB ARG 47 -9.050 0.640 -12.151 358 1HG ARG 47 1HG ARG 47 -11.278 0.172 -11.968 359 2HG ARG 47 2HG ARG 47 -10.988 -1.292 -11.027 360 1HD ARG 47 1HD ARG 47 -11.176 -0.195 -9.040 361 2HD ARG 47 2HD ARG 47 -10.296 1.215 -9.630 362 HE ARG 47 HE ARG 47 -12.884 1.108 -10.866 363 1HH1 ARG 47 1HH1 ARG 47 -11.750 3.615 -9.746 364 2HH1 ARG 47 2HH1 ARG 47 -12.548 3.810 -8.221 365 1HH2 ARG 47 2HH2 ARG 47 -14.683 1.712 -8.502 366 2HH2 ARG 47 1HH2 ARG 47 -13.442 1.221 -7.398 367 H GLN 48 H GLN 48 -6.748 -1.521 -10.120 368 HA GLN 48 HA GLN 48 -7.679 -4.121 -9.164 369 1HB GLN 48 2HB GLN 48 -5.171 -2.593 -8.919 370 2HB GLN 48 1HB GLN 48 -5.604 -3.577 -7.513 371 1HG GLN 48 1HG GLN 48 -5.959 -5.514 -8.990 372 2HG GLN 48 2HG GLN 48 -5.562 -4.554 -10.385 373 1HE2 GLN 48 1HE2 GLN 48 -3.046 -5.334 -7.348 374 2HE2 GLN 48 2HE2 GLN 48 -3.713 -6.698 -8.107 375 H VAL 49 H VAL 49 -9.644 -2.981 -8.628 376 HA VAL 49 HA VAL 49 -10.102 -1.133 -6.625 377 HB VAL 49 HB VAL 49 -11.944 -3.415 -6.497 378 1HG1 VAL 49 3HG1 VAL 49 -12.135 -0.465 -7.079 379 2HG1 VAL 49 1HG1 VAL 49 -13.541 -1.528 -7.042 380 3HG1 VAL 49 2HG1 VAL 49 -12.569 -1.299 -5.586 381 1HG2 VAL 49 2HG2 VAL 49 -11.303 -2.134 -9.176 382 2HG2 VAL 49 3HG2 VAL 49 -11.532 -3.844 -8.829 383 3HG2 VAL 49 1HG2 VAL 49 -12.914 -2.752 -8.830 384 H CYS 50 H CYS 50 -11.118 -1.822 -4.371 385 HA CYS 50 HA CYS 50 -9.282 -3.842 -3.145 386 1HB CYS 50 2HB CYS 50 -8.755 -1.482 -2.544 387 2HB CYS 50 1HB CYS 50 -10.367 -1.310 -1.892 388 H ALA 51 H ALA 51 -10.173 -5.137 -1.471 389 HA ALA 51 HA ALA 51 -12.970 -4.733 -0.675 390 1HB ALA 51 1HB ALA 51 -12.220 -6.664 -2.739 391 2HB ALA 51 2HB ALA 51 -13.012 -7.432 -1.362 392 3HB ALA 51 3HB ALA 51 -13.822 -6.128 -2.229 393 H ASN 52 H ASN 52 -12.646 -4.739 1.345 394 HA ASN 52 HA ASN 52 -10.719 -5.759 2.972 395 1HB ASN 52 1HB ASN 52 -12.570 -4.328 3.662 396 2HB ASN 52 2HB ASN 52 -13.712 -5.639 3.394 397 1HD2 ASN 52 1HD2 ASN 52 -11.850 -5.160 6.874 398 2HD2 ASN 52 2HD2 ASN 52 -10.844 -4.833 5.547 399 HA PRO 53 HA PRO 53 -11.109 -10.178 2.839 400 1HB PRO 53 1HB PRO 53 -9.874 -10.657 5.326 401 2HB PRO 53 2HB PRO 53 -9.044 -10.512 3.772 402 1HG PRO 53 1HG PRO 53 -9.083 -8.626 6.016 403 2HG PRO 53 2HG PRO 53 -8.045 -8.626 4.588 404 1HD PRO 53 2HD PRO 53 -10.282 -6.914 5.114 405 2HD PRO 53 1HD PRO 53 -9.298 -6.960 3.659 406 H GLU 54 H GLU 54 -11.774 -8.617 6.000 407 HA GLU 54 HA GLU 54 -13.731 -10.773 6.601 408 1HB GLU 54 1HB GLU 54 -12.801 -8.563 8.445 409 2HB GLU 54 2HB GLU 54 -13.596 -10.073 8.889 410 1HG GLU 54 1HG GLU 54 -10.901 -9.943 7.510 411 2HG GLU 54 2HG GLU 54 -11.096 -10.068 9.258 412 H LYS 55 H LYS 55 -14.745 -9.147 4.652 413 HA LYS 55 HA LYS 55 -16.625 -7.350 6.134 414 1HB LYS 55 2HB LYS 55 -15.102 -6.872 3.795 415 2HB LYS 55 1HB LYS 55 -16.770 -6.980 3.292 416 1HG LYS 55 1HG LYS 55 -17.438 -5.264 4.834 417 2HG LYS 55 2HG LYS 55 -15.868 -5.297 5.636 418 1HD LYS 55 1HD LYS 55 -14.869 -4.030 4.018 419 2HD LYS 55 2HD LYS 55 -15.797 -4.780 2.719 420 1HE LYS 55 1HE LYS 55 -17.282 -3.086 2.727 421 2HE LYS 55 2HE LYS 55 -17.551 -3.274 4.460 422 1HZ LYS 55 2HZ LYS 55 -15.126 -1.943 3.431 423 2HZ LYS 55 3HZ LYS 55 -16.578 -1.083 3.623 424 3HZ LYS 55 1HZ LYS 55 -15.840 -1.814 4.966 425 H LYS 56 H LYS 56 -16.705 -10.326 5.670 426 HA LYS 56 HA LYS 56 -18.327 -11.935 5.220 427 1HB LYS 56 1HB LYS 56 -20.000 -9.423 5.267 428 2HB LYS 56 2HB LYS 56 -20.711 -11.011 4.987 429 1HG LYS 56 1HG LYS 56 -18.847 -10.935 7.262 430 2HG LYS 56 2HG LYS 56 -20.261 -9.901 7.470 431 1HD LYS 56 1HD LYS 56 -21.694 -11.868 6.806 432 2HD LYS 56 2HD LYS 56 -20.242 -12.866 6.840 433 1HE LYS 56 1HE LYS 56 -20.975 -13.191 9.009 434 2HE LYS 56 2HE LYS 56 -19.981 -11.754 9.252 435 1HZ LYS 56 3HZ LYS 56 -22.808 -11.451 8.508 436 2HZ LYS 56 1HZ LYS 56 -22.405 -11.808 10.120 437 3HZ LYS 56 2HZ LYS 56 -21.807 -10.397 9.386 438 H TRP 57 H TRP 57 -19.997 -9.561 3.215 439 HA TRP 57 HA TRP 57 -20.377 -11.174 1.003 440 1HB TRP 57 1HB TRP 57 -20.771 -9.168 -0.279 441 2HB TRP 57 2HB TRP 57 -21.382 -8.918 1.358 442 HD1 TRP 57 HD1 TRP 57 -20.329 -6.918 2.675 443 HE1 TRP 57 HE1 TRP 57 -18.585 -5.130 2.028 444 HE3 TRP 57 HE3 TRP 57 -18.577 -9.005 -1.590 445 HZ2 TRP 57 HZ2 TRP 57 -16.572 -4.732 -0.015 446 HZ3 TRP 57 HZ3 TRP 57 -16.849 -7.905 -2.928 447 HH2 TRP 57 HH2 TRP 57 -15.831 -5.763 -2.154 448 H VAL 58 H VAL 58 -17.468 -9.169 1.555 449 HA VAL 58 HA VAL 58 -16.214 -9.534 -0.923 450 HB VAL 58 HB VAL 58 -14.030 -9.641 0.461 451 1HG1 VAL 58 2HG1 VAL 58 -14.935 -7.602 -0.579 452 2HG1 VAL 58 3HG1 VAL 58 -15.951 -7.345 0.839 453 3HG1 VAL 58 1HG1 VAL 58 -14.202 -7.244 0.980 454 1HG2 VAL 58 1HG2 VAL 58 -16.017 -9.951 2.516 455 2HG2 VAL 58 2HG2 VAL 58 -14.267 -10.059 2.632 456 3HG2 VAL 58 3HG2 VAL 58 -15.066 -8.500 2.790 457 H ARG 59 H ARG 59 -15.820 -11.727 1.901 458 HA ARG 59 HA ARG 59 -14.303 -13.661 0.423 459 1HB ARG 59 2HB ARG 59 -14.898 -15.187 2.340 460 2HB ARG 59 1HB ARG 59 -14.176 -13.675 2.830 461 1HG ARG 59 1HG ARG 59 -16.291 -12.764 3.470 462 2HG ARG 59 2HG ARG 59 -17.164 -14.053 2.677 463 1HD ARG 59 1HD ARG 59 -15.481 -14.228 5.180 464 2HD ARG 59 2HD ARG 59 -17.200 -14.583 5.008 465 HE ARG 59 HE ARG 59 -15.000 -16.296 3.941 466 1HH1 ARG 59 2HH2 ARG 59 -17.920 -16.359 2.680 467 2HH1 ARG 59 1HH2 ARG 59 -18.810 -17.154 3.935 468 1HH2 ARG 59 2HH1 ARG 59 -16.127 -18.783 4.672 469 2HH2 ARG 59 1HH1 ARG 59 -17.100 -18.062 5.909 470 H GLU 60 H GLU 60 -17.750 -13.225 0.981 471 HA GLU 60 HA GLU 60 -18.477 -15.791 -0.217 472 1HB GLU 60 1HB GLU 60 -19.876 -13.509 0.994 473 2HB GLU 60 2HB GLU 60 -20.732 -14.208 -0.359 474 1HG GLU 60 1HG GLU 60 -20.023 -16.476 0.887 475 2HG GLU 60 2HG GLU 60 -20.063 -15.415 2.274 476 H TYR 61 H TYR 61 -17.276 -12.943 -1.459 477 HA TYR 61 HA TYR 61 -18.756 -13.132 -4.020 478 1HB TYR 61 2HB TYR 61 -17.097 -11.050 -2.645 479 2HB TYR 61 1HB TYR 61 -17.198 -11.005 -4.378 480 HD1 TYR 61 HD1 TYR 61 -19.839 -12.158 -2.001 481 HD2 TYR 61 HD2 TYR 61 -18.566 -9.073 -4.738 482 HE1 TYR 61 HE1 TYR 61 -22.048 -11.035 -1.759 483 HE2 TYR 61 HE2 TYR 61 -20.783 -7.952 -4.500 484 HH TYR 61 HH TYR 61 -22.653 -7.853 -3.064 485 H ILE 62 H ILE 62 -15.599 -13.520 -2.534 486 HA ILE 62 HA ILE 62 -14.029 -13.752 -4.908 487 HB ILE 62 HB ILE 62 -13.686 -15.040 -2.179 488 1HG1 ILE 62 1HG1 ILE 62 -13.667 -12.594 -2.120 489 2HG1 ILE 62 2HG1 ILE 62 -12.053 -13.200 -1.859 490 1HG2 ILE 62 2HG2 ILE 62 -12.138 -15.224 -4.681 491 2HG2 ILE 62 3HG2 ILE 62 -11.183 -14.787 -3.264 492 3HG2 ILE 62 1HG2 ILE 62 -12.124 -16.278 -3.267 493 1HD1 ILE 62 2HD1 ILE 62 -12.206 -12.971 -4.621 494 2HD1 ILE 62 3HD1 ILE 62 -13.084 -11.557 -4.040 495 3HD1 ILE 62 1HD1 ILE 62 -11.416 -11.825 -3.537 496 H ASN 63 H ASN 63 -15.677 -16.244 -2.940 497 HA ASN 63 HA ASN 63 -14.952 -18.400 -4.734 498 1HB ASN 63 2HB ASN 63 -15.994 -18.255 -2.186 499 2HB ASN 63 1HB ASN 63 -17.373 -18.788 -3.116 500 1HD2 ASN 63 2HD2 ASN 63 -15.252 -21.721 -2.051 501 2HD2 ASN 63 1HD2 ASN 63 -16.490 -20.737 -1.435 502 H SER 64 H SER 64 -17.742 -16.247 -4.426 503 HA SER 64 HA SER 64 -19.402 -17.676 -6.307 504 1HB SER 64 1HB SER 64 -20.508 -16.165 -4.829 505 2HB SER 64 2HB SER 64 -19.427 -14.839 -5.261 506 HG SER 64 HG SER 64 -21.133 -16.133 -7.111 507 H LEU 65 H LEU 65 -16.680 -15.588 -6.681 508 HA LEU 65 HA LEU 65 -17.192 -14.337 -9.150 509 1HB LEU 65 2HB LEU 65 -14.748 -15.261 -7.731 510 2HB LEU 65 1HB LEU 65 -14.579 -14.908 -9.433 511 HG LEU 65 HG LEU 65 -15.813 -13.015 -7.418 512 1HD1 LEU 65 3HD1 LEU 65 -13.033 -13.582 -8.127 513 2HD1 LEU 65 1HD1 LEU 65 -13.464 -11.894 -8.398 514 3HD1 LEU 65 2HD1 LEU 65 -13.675 -12.612 -6.802 515 1HD2 LEU 65 3HD2 LEU 65 -15.584 -13.081 -10.339 516 2HD2 LEU 65 1HD2 LEU 65 -16.608 -12.072 -9.317 517 3HD2 LEU 65 2HD2 LEU 65 -14.939 -11.598 -9.635 518 H GLU 66 H GLU 66 -15.690 -17.549 -8.622 519 HA GLU 66 HA GLU 66 -15.664 -19.439 -10.016 520 1HB GLU 66 1HB GLU 66 -18.185 -18.225 -10.419 521 2HB GLU 66 2HB GLU 66 -17.564 -18.603 -12.025 522 1HG GLU 66 1HG GLU 66 -17.501 -20.886 -11.612 523 2HG GLU 66 2HG GLU 66 -17.308 -20.671 -9.872 524 H MET 67 H MET 67 -14.156 -19.867 -11.564 525 HA MET 67 HA MET 67 -13.264 -17.638 -13.288 526 1HB MET 67 1HB MET 67 -12.124 -20.261 -12.415 527 2HB MET 67 2HB MET 67 -11.559 -19.579 -13.940 528 1HG MET 67 1HG MET 67 -11.572 -17.406 -12.184 529 2HG MET 67 2HG MET 67 -10.966 -18.744 -11.207 530 1HE MET 67 1HE MET 67 -9.622 -20.641 -12.827 531 2HE MET 67 3HE MET 67 -7.969 -20.099 -13.117 532 3HE MET 67 2HE MET 67 -8.687 -19.919 -11.517 533 H SER 68 H SER 68 -14.548 -20.942 -13.599 534 HA SER 68 HA SER 68 -15.739 -20.268 -16.173 535 1HB SER 68 1HB SER 68 -13.218 -21.865 -16.001 536 2HB SER 68 2HB SER 68 -14.443 -22.385 -17.159 537 HG SER 68 HG SER 68 -14.458 -20.091 -17.816 538 H SER 1 H SER 1 -4.204 13.152 -6.727 539 HA SER 1 HA SER 1 -6.981 13.638 -7.006 540 1HB SER 1 1HB SER 1 -5.652 12.665 -9.429 541 2HB SER 1 2HB SER 1 -6.974 11.620 -8.910 542 HG SER 1 HG SER 1 -8.303 13.078 -9.571 543 HA PRO 2 HA PRO 2 -5.451 10.032 -4.471 544 1HB PRO 2 1HB PRO 2 -7.257 10.938 -2.409 545 2HB PRO 2 2HB PRO 2 -5.491 10.911 -2.369 546 1HG PRO 2 1HG PRO 2 -7.217 13.210 -2.618 547 2HG PRO 2 2HG PRO 2 -5.450 13.183 -2.582 548 1HD PRO 2 1HD PRO 2 -7.167 13.686 -4.846 549 2HD PRO 2 2HD PRO 2 -5.394 13.660 -4.809 550 H TYR 3 H TYR 3 -6.557 8.121 -4.696 551 HA TYR 3 HA TYR 3 -9.496 8.290 -5.204 552 1HB TYR 3 1HB TYR 3 -7.340 6.858 -6.492 553 2HB TYR 3 2HB TYR 3 -8.545 5.719 -5.889 554 HD1 TYR 3 HD2 TYR 3 -8.917 9.237 -7.157 555 HD2 TYR 3 HD1 TYR 3 -9.856 5.064 -7.738 556 HE1 TYR 3 HE2 TYR 3 -10.430 9.841 -9.043 557 HE2 TYR 3 HE1 TYR 3 -11.369 5.667 -9.624 558 HH TYR 3 HH TYR 3 -12.552 7.484 -10.530 559 H SER 4 H SER 4 -7.077 6.122 -3.686 560 HA SER 4 HA SER 4 -7.289 4.698 -1.832 561 1HB SER 4 1HB SER 4 -9.615 6.207 -0.763 562 2HB SER 4 2HB SER 4 -8.119 5.728 0.039 563 HG SER 4 HG SER 4 -7.875 7.854 -0.212 564 H SER 5 H SER 5 -8.187 3.130 -3.458 565 HA SER 5 HA SER 5 -10.636 1.959 -2.479 566 1HB SER 5 1HB SER 5 -11.918 2.184 -4.628 567 2HB SER 5 2HB SER 5 -11.711 3.712 -3.772 568 HG SER 5 HG SER 5 -11.231 3.768 -6.064 569 H ASP 6 H ASP 6 -8.316 2.199 -5.149 570 HA ASP 6 HA ASP 6 -8.575 -0.746 -5.586 571 1HB ASP 6 1HB ASP 6 -7.447 -0.331 -7.727 572 2HB ASP 6 2HB ASP 6 -8.815 0.765 -7.572 573 H THR 7 H THR 7 -5.860 -0.825 -6.796 574 HA THR 7 HA THR 7 -4.455 -1.298 -4.297 575 HB THR 7 HB THR 7 -4.206 -2.825 -6.240 576 HG1 THR 7 HG1 THR 7 -2.256 -3.205 -5.586 577 1HG2 THR 7 1HG2 THR 7 -4.233 -0.763 -7.855 578 2HG2 THR 7 2HG2 THR 7 -2.496 -0.726 -7.554 579 3HG2 THR 7 3HG2 THR 7 -3.236 -2.158 -8.268 580 H THR 8 H THR 8 -2.048 -0.492 -4.233 581 HA THR 8 HA THR 8 -1.792 2.256 -5.331 582 HB THR 8 HB THR 8 -1.288 1.667 -2.404 583 HG1 THR 8 HG1 THR 8 -3.541 2.850 -3.655 584 1HG2 THR 8 3HG2 THR 8 -0.199 3.626 -3.739 585 2HG2 THR 8 1HG2 THR 8 -1.814 4.335 -3.700 586 3HG2 THR 8 2HG2 THR 8 -0.966 3.987 -2.193 587 HA PRO 9 HA PRO 9 2.188 0.375 -6.100 588 1HB PRO 9 1HB PRO 9 3.214 2.956 -6.880 589 2HB PRO 9 2HB PRO 9 2.761 1.609 -7.927 590 1HG PRO 9 2HG PRO 9 1.343 4.097 -7.532 591 2HG PRO 9 1HG PRO 9 0.897 2.755 -8.587 592 1HD PRO 9 1HD PRO 9 -0.334 3.542 -6.129 593 2HD PRO 9 2HD PRO 9 -0.769 2.197 -7.171 594 H CYS 10 H CYS 10 3.704 0.049 -4.528 595 HA CYS 10 HA CYS 10 5.032 2.215 -3.148 596 1HB CYS 10 2HB CYS 10 2.958 2.318 -1.886 597 2HB CYS 10 1HB CYS 10 2.966 0.593 -1.640 598 H CYS 11 H CYS 11 6.849 1.474 -2.024 599 HA CYS 11 HA CYS 11 7.666 -1.204 -2.777 600 1HB CYS 11 2HB CYS 11 9.451 0.289 -2.901 601 2HB CYS 11 1HB CYS 11 9.006 1.125 -1.446 602 H PHE 12 H PHE 12 8.175 -2.907 -1.296 603 HA PHE 12 HA PHE 12 6.735 -2.688 1.312 604 1HB PHE 12 2HB PHE 12 5.868 -4.447 -0.159 605 2HB PHE 12 1HB PHE 12 7.469 -5.117 -0.348 606 HD1 PHE 12 HD2 PHE 12 5.910 -3.774 2.777 607 HD2 PHE 12 HD1 PHE 12 7.268 -7.273 0.643 608 HE1 PHE 12 HE2 PHE 12 5.573 -5.155 4.825 609 HE2 PHE 12 HE1 PHE 12 6.929 -8.655 2.690 610 HZ PHE 12 HZ PHE 12 6.081 -7.595 4.780 611 H ALA 13 H ALA 13 9.794 -3.335 -0.231 612 HA ALA 13 HA ALA 13 11.194 -3.081 2.313 613 1HB ALA 13 1HB ALA 13 10.430 -5.653 1.649 614 2HB ALA 13 2HB ALA 13 12.062 -5.553 0.984 615 3HB ALA 13 3HB ALA 13 11.787 -5.240 2.698 616 H TYR 14 H TYR 14 13.368 -2.535 1.997 617 HA TYR 14 HA TYR 14 14.013 -1.982 -0.841 618 1HB TYR 14 1HB TYR 14 16.000 -0.816 0.824 619 2HB TYR 14 2HB TYR 14 14.764 0.009 -0.116 620 HD1 TYR 14 HD2 TYR 14 15.623 -1.367 3.221 621 HD2 TYR 14 HD1 TYR 14 12.741 0.875 0.917 622 HE1 TYR 14 HE2 TYR 14 14.494 -0.653 5.326 623 HE2 TYR 14 HE1 TYR 14 11.609 1.583 3.019 624 HH TYR 14 HH TYR 14 11.441 1.133 5.265 625 H ILE 15 H ILE 15 15.881 -2.813 -1.801 626 HA ILE 15 HA ILE 15 16.991 -5.205 -0.593 627 HB ILE 15 HB ILE 15 18.517 -5.130 -2.622 628 1HG1 ILE 15 2HG1 ILE 15 16.760 -2.877 -3.573 629 2HG1 ILE 15 1HG1 ILE 15 18.243 -2.532 -2.683 630 1HG2 ILE 15 2HG2 ILE 15 16.136 -6.147 -2.470 631 2HG2 ILE 15 3HG2 ILE 15 15.630 -4.741 -3.406 632 3HG2 ILE 15 1HG2 ILE 15 16.809 -5.868 -4.076 633 1HD1 ILE 15 3HD1 ILE 15 18.225 -4.385 -5.068 634 2HD1 ILE 15 1HD1 ILE 15 18.417 -2.642 -5.254 635 3HD1 ILE 15 2HD1 ILE 15 19.601 -3.565 -4.330 636 H ALA 16 H ALA 16 19.554 -5.363 -0.714 637 HA ALA 16 HA ALA 16 20.596 -3.018 0.817 638 1HB ALA 16 3HB ALA 16 20.518 -5.216 2.014 639 2HB ALA 16 1HB ALA 16 21.623 -5.869 0.806 640 3HB ALA 16 2HB ALA 16 22.150 -4.564 1.869 641 H ARG 17 H ARG 17 20.996 -2.042 -1.365 642 HA ARG 17 HA ARG 17 23.723 -2.215 -2.125 643 1HB ARG 17 2HB ARG 17 22.077 -4.272 -3.265 644 2HB ARG 17 1HB ARG 17 22.601 -3.196 -4.537 645 1HG ARG 17 1HG ARG 17 24.949 -3.394 -3.410 646 2HG ARG 17 2HG ARG 17 24.273 -4.838 -2.654 647 1HD ARG 17 1HD ARG 17 25.229 -5.684 -4.629 648 2HD ARG 17 2HD ARG 17 23.537 -5.468 -5.076 649 HE ARG 17 HE ARG 17 24.421 -3.147 -5.955 650 1HH1 ARG 17 2HH1 ARG 17 27.333 -3.992 -5.512 651 2HH1 ARG 17 1HH1 ARG 17 27.651 -5.085 -6.818 652 1HH2 ARG 17 2HH2 ARG 17 24.674 -5.142 -8.200 653 2HH2 ARG 17 1HH2 ARG 17 26.055 -4.224 -8.701 654 HA PRO 18 HA PRO 18 21.690 1.634 -3.417 655 1HB PRO 18 2HB PRO 18 24.299 2.592 -4.199 656 2HB PRO 18 1HB PRO 18 23.310 3.113 -2.838 657 1HG PRO 18 2HG PRO 18 25.677 1.458 -2.763 658 2HG PRO 18 1HG PRO 18 24.729 2.044 -1.414 659 1HD PRO 18 1HD PRO 18 24.858 -0.630 -2.359 660 2HD PRO 18 2HD PRO 18 23.775 -0.006 -1.128 661 H LEU 19 H LEU 19 20.765 1.749 -5.405 662 HA LEU 19 HA LEU 19 21.971 0.373 -7.688 663 1HB LEU 19 1HB LEU 19 19.590 2.205 -7.855 664 2HB LEU 19 2HB LEU 19 19.946 0.801 -8.827 665 HG LEU 19 HG LEU 19 19.193 0.778 -5.893 666 1HD1 LEU 19 2HD1 LEU 19 17.399 1.251 -7.667 667 2HD1 LEU 19 3HD1 LEU 19 17.684 -0.395 -8.233 668 3HD1 LEU 19 1HD1 LEU 19 17.101 -0.115 -6.592 669 1HD2 LEU 19 1HD2 LEU 19 20.689 -1.091 -7.398 670 2HD2 LEU 19 2HD2 LEU 19 19.980 -1.329 -5.800 671 3HD2 LEU 19 3HD2 LEU 19 19.067 -1.768 -7.244 672 HA PRO 20 HA PRO 20 24.340 4.011 -8.800 673 1HB PRO 20 1HB PRO 20 24.510 3.016 -11.526 674 2HB PRO 20 2HB PRO 20 25.789 3.113 -10.310 675 1HG PRO 20 1HG PRO 20 24.439 0.753 -11.234 676 2HG PRO 20 2HG PRO 20 25.657 0.861 -9.959 677 1HD PRO 20 1HD PRO 20 22.829 0.363 -9.669 678 2HD PRO 20 2HD PRO 20 24.053 0.469 -8.389 679 H ARG 21 H ARG 21 23.318 5.911 -9.242 680 HA ARG 21 HA ARG 21 20.759 6.238 -10.276 681 1HB ARG 21 2HB ARG 21 21.270 8.571 -10.609 682 2HB ARG 21 1HB ARG 21 22.155 8.028 -9.185 683 1HG ARG 21 2HG ARG 21 23.406 8.081 -11.937 684 2HG ARG 21 1HG ARG 21 23.470 9.450 -10.856 685 1HD ARG 21 2HD ARG 21 24.341 7.677 -9.124 686 2HD ARG 21 1HD ARG 21 24.742 6.760 -10.554 687 HE ARG 21 HE ARG 21 26.226 8.995 -9.593 688 1HH1 ARG 21 1HH1 ARG 21 25.348 10.504 -11.923 689 2HH1 ARG 21 2HH1 ARG 21 25.823 9.606 -13.325 690 1HH2 ARG 21 2HH2 ARG 21 27.038 7.155 -12.473 691 2HH2 ARG 21 1HH2 ARG 21 28.191 8.290 -11.854 692 H ALA 22 H ALA 22 23.708 5.685 -12.060 693 HA ALA 22 HA ALA 22 22.705 6.533 -14.631 694 1HB ALA 22 1HB ALA 22 25.050 5.012 -13.619 695 2HB ALA 22 2HB ALA 22 24.580 4.694 -15.289 696 3HB ALA 22 3HB ALA 22 24.986 6.334 -14.784 697 H HIS 23 H HIS 23 22.965 3.337 -13.056 698 HA HIS 23 HA HIS 23 21.739 1.882 -15.193 699 1HB HIS 23 2HB HIS 23 21.753 1.266 -12.222 700 2HB HIS 23 1HB HIS 23 21.351 0.123 -13.502 701 HD2 HIS 23 HD2 HIS 23 24.375 2.426 -14.298 702 HE1 HIS 23 HE1 HIS 23 25.932 -1.334 -13.155 703 HE2 HIS 23 HE2 HIS 23 26.511 0.937 -14.143 704 H ILE 24 H ILE 24 20.421 3.834 -12.591 705 HA ILE 24 HA ILE 24 17.718 2.786 -12.981 706 HB ILE 24 HB ILE 24 18.409 5.324 -11.541 707 1HG1 ILE 24 2HG1 ILE 24 18.513 2.503 -10.458 708 2HG1 ILE 24 1HG1 ILE 24 19.891 3.551 -10.685 709 1HG2 ILE 24 3HG2 ILE 24 16.075 3.585 -11.855 710 2HG2 ILE 24 1HG2 ILE 24 16.435 3.965 -10.173 711 3HG2 ILE 24 2HG2 ILE 24 16.160 5.266 -11.331 712 1HD1 ILE 24 1HD1 ILE 24 17.899 4.968 -9.181 713 2HD1 ILE 24 2HD1 ILE 24 18.173 3.399 -8.424 714 3HD1 ILE 24 3HD1 ILE 24 19.523 4.506 -8.676 715 H LYS 25 H LYS 25 15.926 4.216 -13.686 716 HA LYS 25 HA LYS 25 16.864 6.281 -15.643 717 1HB LYS 25 1HB LYS 25 14.526 4.360 -15.838 718 2HB LYS 25 2HB LYS 25 14.806 5.691 -16.960 719 1HG LYS 25 1HG LYS 25 17.087 3.839 -16.442 720 2HG LYS 25 2HG LYS 25 15.755 3.225 -17.421 721 1HD LYS 25 1HD LYS 25 16.495 5.935 -18.194 722 2HD LYS 25 2HD LYS 25 17.863 4.829 -18.318 723 1HE LYS 25 1HE LYS 25 16.759 4.671 -20.419 724 2HE LYS 25 2HE LYS 25 16.247 3.235 -19.531 725 1HZ LYS 25 2HZ LYS 25 14.316 4.714 -18.769 726 2HZ LYS 25 3HZ LYS 25 14.735 5.706 -20.083 727 3HZ LYS 25 1HZ LYS 25 14.278 4.092 -20.349 728 H GLU 26 H GLU 26 14.760 5.535 -12.990 729 HA GLU 26 HA GLU 26 14.045 8.301 -12.611 730 1HB GLU 26 1HB GLU 26 11.466 7.514 -12.707 731 2HB GLU 26 2HB GLU 26 12.275 8.215 -14.091 732 1HG GLU 26 2HG GLU 26 12.648 5.310 -13.869 733 2HG GLU 26 1HG GLU 26 10.984 5.786 -14.075 734 H TYR 27 H TYR 27 11.800 7.870 -10.922 735 HA TYR 27 HA TYR 27 12.307 5.593 -9.201 736 1HB TYR 27 2HB TYR 27 13.138 6.728 -7.284 737 2HB TYR 27 1HB TYR 27 14.115 7.329 -8.618 738 HD1 TYR 27 HD2 TYR 27 13.649 9.594 -9.611 739 HD2 TYR 27 HD1 TYR 27 11.643 8.167 -6.064 740 HE1 TYR 27 HE2 TYR 27 12.931 11.922 -9.080 741 HE2 TYR 27 HE1 TYR 27 10.921 10.492 -5.535 742 HH TYR 27 HH TYR 27 10.591 12.613 -6.619 743 H PHE 28 H PHE 28 10.827 6.028 -7.075 744 HA PHE 28 HA PHE 28 8.530 7.680 -7.859 745 1HB PHE 28 2HB PHE 28 7.822 5.728 -8.951 746 2HB PHE 28 1HB PHE 28 8.501 4.678 -7.714 747 HD1 PHE 28 HD1 PHE 28 6.209 7.657 -7.492 748 HD2 PHE 28 HD2 PHE 28 6.770 3.445 -6.742 749 HE1 PHE 28 HE1 PHE 28 4.072 7.600 -6.211 750 HE2 PHE 28 HE2 PHE 28 4.631 3.381 -5.479 751 HZ PHE 28 HZ PHE 28 3.274 5.458 -5.214 752 H TYR 29 H TYR 29 9.273 8.842 -5.905 753 HA TYR 29 HA TYR 29 9.461 7.677 -3.340 754 1HB TYR 29 1HB TYR 29 10.109 10.005 -3.808 755 2HB TYR 29 2HB TYR 29 8.432 10.428 -4.042 756 HD1 TYR 29 HD1 TYR 29 6.850 10.500 -2.154 757 HD2 TYR 29 HD2 TYR 29 11.013 9.511 -1.582 758 HE1 TYR 29 HE1 TYR 29 6.592 10.832 0.303 759 HE2 TYR 29 HE2 TYR 29 10.755 9.844 0.874 760 HH TYR 29 HH TYR 29 7.850 11.224 2.253 761 H THR 30 H THR 30 7.990 6.916 -1.952 762 HA THR 30 HA THR 30 5.181 6.766 -2.823 763 HB THR 30 HB THR 30 5.327 5.651 -0.273 764 HG1 THR 30 HG1 THR 30 7.648 4.967 -1.741 765 1HG2 THR 30 3HG2 THR 30 5.257 4.734 -3.087 766 2HG2 THR 30 1HG2 THR 30 5.779 3.525 -1.913 767 3HG2 THR 30 2HG2 THR 30 4.208 4.305 -1.736 768 H SER 31 H SER 31 3.562 8.037 -2.042 769 HA SER 31 HA SER 31 4.143 10.331 -0.424 770 1HB SER 31 1HB SER 31 2.053 9.556 -2.042 771 2HB SER 31 2HB SER 31 1.336 9.445 -0.435 772 HG SER 31 HG SER 31 1.285 11.524 -0.381 773 H GLY 32 H GLY 32 1.829 10.228 1.361 774 1HA GLY 32 1HA GLY 32 3.057 8.589 3.494 775 2HA GLY 32 2HA GLY 32 1.880 9.854 3.738 776 H LYS 33 H LYS 33 1.364 7.466 1.247 777 HA LYS 33 HA LYS 33 -1.136 6.649 2.504 778 1HB LYS 33 1HB LYS 33 0.214 5.368 0.121 779 2HB LYS 33 2HB LYS 33 -1.483 5.324 0.529 780 1HG LYS 33 2HG LYS 33 -1.243 7.958 0.408 781 2HG LYS 33 1HG LYS 33 0.123 7.571 -0.609 782 1HD LYS 33 2HD LYS 33 -2.353 6.065 -1.191 783 2HD LYS 33 1HD LYS 33 -2.421 7.775 -1.538 784 1HE LYS 33 1HE LYS 33 -0.180 5.980 -2.490 785 2HE LYS 33 2HE LYS 33 -1.604 6.352 -3.462 786 1HZ LYS 33 1HZ LYS 33 -0.229 8.622 -2.280 787 2HZ LYS 33 2HZ LYS 33 0.611 7.806 -3.511 788 3HZ LYS 33 3HZ LYS 33 -0.928 8.453 -3.818 789 H CYS 34 H CYS 34 1.521 4.580 1.296 790 HA CYS 34 HA CYS 34 0.850 2.539 3.280 791 1HB CYS 34 1HB CYS 34 2.881 1.362 2.327 792 2HB CYS 34 2HB CYS 34 1.618 1.724 1.155 793 H SER 35 H SER 35 2.602 1.660 4.747 794 HA SER 35 HA SER 35 3.924 3.941 6.094 795 1HB SER 35 1HB SER 35 4.224 1.250 7.261 796 2HB SER 35 2HB SER 35 3.687 2.750 8.017 797 HG SER 35 HG SER 35 2.228 0.788 6.689 798 H ASN 36 H ASN 36 4.967 2.803 3.545 799 HA ASN 36 HA ASN 36 7.680 2.072 4.557 800 1HB ASN 36 1HB ASN 36 5.947 0.651 2.639 801 2HB ASN 36 2HB ASN 36 7.590 0.883 2.094 802 1HD2 ASN 36 1HD2 ASN 36 9.144 -1.276 3.841 803 2HD2 ASN 36 2HD2 ASN 36 9.200 0.264 4.551 804 HA PRO 37 HA PRO 37 7.501 5.838 1.728 805 1HB PRO 37 1HB PRO 37 9.356 7.074 3.575 806 2HB PRO 37 2HB PRO 37 7.710 7.582 3.179 807 1HG PRO 37 1HG PRO 37 8.630 6.340 5.611 808 2HG PRO 37 2HG PRO 37 6.979 6.819 5.204 809 1HD PRO 37 2HD PRO 37 8.055 4.150 5.368 810 2HD PRO 37 1HD PRO 37 6.400 4.632 4.951 811 H ALA 38 H ALA 38 9.133 6.211 0.217 812 HA ALA 38 HA ALA 38 11.926 5.845 0.619 813 1HB ALA 38 1HB ALA 38 11.219 3.451 0.932 814 2HB ALA 38 2HB ALA 38 10.567 3.467 -0.705 815 3HB ALA 38 3HB ALA 38 12.299 3.671 -0.441 816 H VAL 39 H VAL 39 12.095 4.496 -2.179 817 HA VAL 39 HA VAL 39 10.741 6.416 -3.924 818 HB VAL 39 HB VAL 39 13.057 6.911 -5.032 819 1HG1 VAL 39 3HG1 VAL 39 11.430 8.276 -3.204 820 2HG1 VAL 39 1HG1 VAL 39 13.076 8.506 -2.614 821 3HG1 VAL 39 2HG1 VAL 39 12.654 8.979 -4.261 822 1HG2 VAL 39 2HG2 VAL 39 14.172 5.303 -3.361 823 2HG2 VAL 39 3HG2 VAL 39 14.964 6.851 -3.642 824 3HG2 VAL 39 1HG2 VAL 39 14.001 6.604 -2.185 825 H VAL 40 H VAL 40 9.832 4.679 -4.916 826 HA VAL 40 HA VAL 40 11.216 2.264 -5.484 827 HB VAL 40 HB VAL 40 8.624 3.493 -6.194 828 1HG1 VAL 40 1HG1 VAL 40 9.431 2.761 -8.424 829 2HG1 VAL 40 2HG1 VAL 40 9.744 1.157 -7.765 830 3HG1 VAL 40 3HG1 VAL 40 8.092 1.764 -7.857 831 1HG2 VAL 40 3HG2 VAL 40 9.726 0.908 -5.115 832 2HG2 VAL 40 1HG2 VAL 40 8.632 2.054 -4.332 833 3HG2 VAL 40 2HG2 VAL 40 8.039 1.013 -5.627 834 H PHE 41 H PHE 41 12.943 2.146 -6.750 835 HA PHE 41 HA PHE 41 13.408 4.084 -8.847 836 1HB PHE 41 1HB PHE 41 14.871 1.677 -7.805 837 2HB PHE 41 2HB PHE 41 15.339 2.374 -9.353 838 HD1 PHE 41 HD2 PHE 41 14.975 5.257 -8.950 839 HD2 PHE 41 HD1 PHE 41 16.511 2.276 -6.241 840 HE1 PHE 41 HE2 PHE 41 16.352 7.000 -7.821 841 HE2 PHE 41 HE1 PHE 41 17.875 4.016 -5.104 842 HZ PHE 41 HZ PHE 41 17.817 6.377 -5.896 843 H VAL 42 H VAL 42 13.470 3.746 -10.968 844 HA VAL 42 HA VAL 42 12.154 1.283 -12.033 845 HB VAL 42 HB VAL 42 11.608 3.393 -13.812 846 1HG1 VAL 42 3HG2 VAL 42 9.949 1.977 -11.720 847 2HG1 VAL 42 1HG2 VAL 42 9.251 2.979 -12.994 848 3HG1 VAL 42 2HG2 VAL 42 10.136 1.513 -13.414 849 1HG2 VAL 42 3HG1 VAL 42 10.950 4.190 -10.966 850 2HG2 VAL 42 1HG1 VAL 42 12.062 5.022 -12.042 851 3HG2 VAL 42 2HG1 VAL 42 10.345 4.992 -12.417 852 H THR 43 H THR 43 14.421 0.625 -12.326 853 HA THR 43 HA THR 43 16.247 2.320 -13.859 854 HB THR 43 HB THR 43 17.908 0.702 -13.361 855 HG1 THR 43 HG1 THR 43 17.438 -1.394 -12.948 856 1HG2 THR 43 1HG2 THR 43 16.904 1.884 -11.370 857 2HG2 THR 43 2HG2 THR 43 15.914 0.452 -11.094 858 3HG2 THR 43 3HG2 THR 43 17.671 0.345 -10.986 859 H ARG 44 H ARG 44 17.696 0.336 -15.259 860 HA ARG 44 HA ARG 44 16.676 0.563 -17.819 861 1HB ARG 44 2HB ARG 44 17.999 -1.667 -18.244 862 2HB ARG 44 1HB ARG 44 18.868 -0.225 -17.793 863 1HG ARG 44 1HG ARG 44 19.667 -1.244 -15.953 864 2HG ARG 44 2HG ARG 44 18.029 -1.572 -15.394 865 1HD ARG 44 1HD ARG 44 18.495 -3.755 -15.734 866 2HD ARG 44 2HD ARG 44 18.387 -3.402 -17.457 867 HE ARG 44 HE ARG 44 21.001 -2.722 -16.720 868 1HH1 ARG 44 1HH2 ARG 44 20.466 -5.294 -14.897 869 2HH1 ARG 44 2HH2 ARG 44 21.862 -5.952 -15.683 870 1HH2 ARG 44 1HH1 ARG 44 21.593 -4.940 -18.587 871 2HH2 ARG 44 2HH1 ARG 44 20.270 -5.995 -18.220 872 H LYS 45 H LYS 45 16.437 -2.481 -15.910 873 HA LYS 45 HA LYS 45 14.428 -3.670 -17.570 874 1HB LYS 45 2HB LYS 45 15.601 -4.972 -15.831 875 2HB LYS 45 1HB LYS 45 14.869 -3.971 -14.576 876 1HG LYS 45 1HG LYS 45 12.725 -4.849 -14.951 877 2HG LYS 45 2HG LYS 45 13.133 -5.410 -16.571 878 1HD LYS 45 1HD LYS 45 14.798 -6.996 -15.423 879 2HD LYS 45 2HD LYS 45 13.969 -6.596 -13.919 880 1HE LYS 45 1HE LYS 45 12.335 -7.426 -16.292 881 2HE LYS 45 2HE LYS 45 13.182 -8.667 -15.368 882 1HZ LYS 45 3HZ LYS 45 11.710 -6.681 -13.833 883 2HZ LYS 45 1HZ LYS 45 10.774 -7.780 -14.727 884 3HZ LYS 45 2HZ LYS 45 11.880 -8.351 -13.572 885 H ASN 46 H ASN 46 14.434 -1.291 -15.059 886 HA ASN 46 HA ASN 46 12.930 0.318 -14.426 887 1HB ASN 46 1HB ASN 46 12.064 -0.508 -17.076 888 2HB ASN 46 2HB ASN 46 10.681 -0.113 -16.090 889 1HD2 ASN 46 1HD2 ASN 46 11.355 2.897 -17.646 890 2HD2 ASN 46 2HD2 ASN 46 12.262 1.652 -18.357 891 H ARG 47 H ARG 47 12.702 -2.669 -13.659 892 HA ARG 47 HA ARG 47 9.951 -3.083 -12.910 893 1HB ARG 47 1HB ARG 47 11.086 -4.253 -10.851 894 2HB ARG 47 2HB ARG 47 11.298 -4.979 -12.442 895 1HG ARG 47 1HG ARG 47 13.529 -4.501 -12.478 896 2HG ARG 47 2HG ARG 47 13.298 -2.919 -11.733 897 1HD ARG 47 1HD ARG 47 13.625 -3.728 -9.631 898 2HD ARG 47 2HD ARG 47 12.712 -5.202 -9.956 899 HE ARG 47 HE ARG 47 15.212 -5.282 -11.368 900 1HH1 ARG 47 1HH1 ARG 47 14.169 -7.603 -9.835 901 2HH1 ARG 47 2HH1 ARG 47 15.068 -7.586 -8.355 902 1HH2 ARG 47 2HH2 ARG 47 17.168 -5.559 -9.067 903 2HH2 ARG 47 1HH2 ARG 47 16.002 -4.911 -7.962 904 H GLN 48 H GLN 48 9.125 -2.544 -10.584 905 HA GLN 48 HA GLN 48 10.105 0.160 -10.065 906 1HB GLN 48 2HB GLN 48 7.627 -1.306 -9.438 907 2HB GLN 48 1HB GLN 48 8.151 -0.143 -8.213 908 1HG GLN 48 2HG GLN 48 8.395 1.573 -9.963 909 2HG GLN 48 1HG GLN 48 7.903 0.436 -11.178 910 1HE2 GLN 48 1HE2 GLN 48 5.604 1.646 -8.115 911 2HE2 GLN 48 2HE2 GLN 48 6.213 2.883 -9.104 912 H VAL 49 H VAL 49 12.110 -0.905 -9.509 913 HA VAL 49 HA VAL 49 12.709 -2.458 -7.302 914 HB VAL 49 HB VAL 49 14.545 -0.190 -7.619 915 1HG1 VAL 49 3HG1 VAL 49 14.707 -3.193 -7.795 916 2HG1 VAL 49 1HG1 VAL 49 16.109 -2.143 -8.003 917 3HG1 VAL 49 2HG1 VAL 49 15.241 -2.160 -6.467 918 1HG2 VAL 49 2HG2 VAL 49 13.732 -1.829 -10.044 919 2HG2 VAL 49 3HG2 VAL 49 13.975 -0.089 -9.956 920 3HG2 VAL 49 1HG2 VAL 49 15.360 -1.175 -9.898 921 H CYS 50 H CYS 50 13.866 -1.464 -5.236 922 HA CYS 50 HA CYS 50 12.113 0.729 -4.200 923 1HB CYS 50 1HB CYS 50 11.608 -1.509 -3.236 924 2HB CYS 50 2HB CYS 50 13.251 -1.616 -2.667 925 H ALA 51 H ALA 51 13.107 2.234 -2.783 926 HA ALA 51 HA ALA 51 15.952 1.924 -2.118 927 1HB ALA 51 1HB ALA 51 15.059 3.554 -4.374 928 2HB ALA 51 2HB ALA 51 15.936 4.502 -3.173 929 3HB ALA 51 3HB ALA 51 16.693 3.087 -3.903 930 H ASN 52 H ASN 52 15.764 2.215 -0.101 931 HA ASN 52 HA ASN 52 13.944 3.458 1.492 932 1HB ASN 52 1HB ASN 52 15.843 2.128 2.252 933 2HB ASN 52 2HB ASN 52 16.958 3.383 1.727 934 1HD2 ASN 52 1HD2 ASN 52 15.337 3.407 5.357 935 2HD2 ASN 52 2HD2 ASN 52 14.246 2.902 4.159 936 HA PRO 53 HA PRO 53 14.306 7.814 0.720 937 1HB PRO 53 1HB PRO 53 13.236 8.641 3.192 938 2HB PRO 53 2HB PRO 53 12.306 8.285 1.732 939 1HG PRO 53 1HG PRO 53 12.503 6.730 4.210 940 2HG PRO 53 2HG PRO 53 11.372 6.536 2.868 941 1HD PRO 53 1HD PRO 53 13.647 4.904 3.477 942 2HD PRO 53 2HD PRO 53 12.568 4.750 2.100 943 H GLU 54 H GLU 54 15.189 6.706 4.017 944 HA GLU 54 HA GLU 54 17.171 8.916 4.179 945 1HB GLU 54 1HB GLU 54 16.375 6.991 6.372 946 2HB GLU 54 2HB GLU 54 17.191 8.544 6.546 947 1HG GLU 54 1HG GLU 54 14.411 8.234 5.380 948 2HG GLU 54 2HG GLU 54 14.720 8.603 7.076 949 H LYS 55 H LYS 55 18.060 7.028 2.417 950 HA LYS 55 HA LYS 55 20.045 5.447 4.002 951 1HB LYS 55 1HB LYS 55 18.368 4.653 1.866 952 2HB LYS 55 2HB LYS 55 19.995 4.685 1.234 953 1HG LYS 55 1HG LYS 55 20.782 3.197 2.950 954 2HG LYS 55 2HG LYS 55 19.271 3.345 3.847 955 1HD LYS 55 1HD LYS 55 18.168 1.873 2.490 956 2HD LYS 55 2HD LYS 55 19.003 2.431 1.040 957 1HE LYS 55 1HE LYS 55 20.492 0.747 1.183 958 2HE LYS 55 2HE LYS 55 20.876 1.172 2.851 959 1HZ LYS 55 2HZ LYS 55 18.393 -0.277 2.182 960 2HZ LYS 55 3HZ LYS 55 19.859 -1.109 2.396 961 3HZ LYS 55 1HZ LYS 55 19.208 -0.193 3.670 962 H LYS 56 H LYS 56 20.078 8.329 3.123 963 HA LYS 56 HA LYS 56 21.658 9.852 2.342 964 1HB LYS 56 1HB LYS 56 23.343 7.364 2.628 965 2HB LYS 56 2HB LYS 56 24.026 8.894 2.082 966 1HG LYS 56 1HG LYS 56 22.318 9.146 4.465 967 2HG LYS 56 2HG LYS 56 23.749 8.146 4.720 968 1HD LYS 56 1HD LYS 56 25.125 9.993 3.691 969 2HD LYS 56 2HD LYS 56 23.673 10.993 3.684 970 1HE LYS 56 1HE LYS 56 24.548 11.613 5.732 971 2HE LYS 56 2HE LYS 56 23.580 10.230 6.239 972 1HZ LYS 56 3HZ LYS 56 26.353 9.813 5.357 973 2HZ LYS 56 1HZ LYS 56 26.057 10.392 6.927 974 3HZ LYS 56 2HZ LYS 56 25.417 8.896 6.439 975 H TRP 57 H TRP 57 23.203 7.214 0.583 976 HA TRP 57 HA TRP 57 23.423 8.501 -1.854 977 1HB TRP 57 1HB TRP 57 23.744 6.335 -2.867 978 2HB TRP 57 2HB TRP 57 24.464 6.314 -1.254 979 HD1 TRP 57 HD1 TRP 57 23.511 4.519 0.395 980 HE1 TRP 57 HE1 TRP 57 21.737 2.666 0.120 981 HE3 TRP 57 HE3 TRP 57 21.465 6.004 -3.990 982 HZ2 TRP 57 HZ2 TRP 57 19.590 2.002 -1.704 983 HZ3 TRP 57 HZ3 TRP 57 19.655 4.735 -5.043 984 HH2 TRP 57 HH2 TRP 57 18.703 2.726 -3.912 985 H VAL 58 H VAL 58 20.566 6.621 -0.815 986 HA VAL 58 HA VAL 58 19.150 6.623 -3.233 987 HB VAL 58 HB VAL 58 17.062 6.936 -1.737 988 1HG1 VAL 58 2HG1 VAL 58 17.908 4.771 -2.541 989 2HG1 VAL 58 3HG1 VAL 58 19.017 4.708 -1.174 990 3HG1 VAL 58 1HG1 VAL 58 17.283 4.633 -0.904 991 1HG2 VAL 58 1HG2 VAL 58 19.177 7.521 0.133 992 2HG2 VAL 58 2HG2 VAL 58 17.436 7.653 0.340 993 3HG2 VAL 58 3HG2 VAL 58 18.248 6.125 0.658 994 H ARG 59 H ARG 59 18.930 9.195 -0.733 995 HA ARG 59 HA ARG 59 17.314 10.908 -2.367 996 1HB ARG 59 1HB ARG 59 18.026 12.686 -0.728 997 2HB ARG 59 2HB ARG 59 17.348 11.260 0.018 998 1HG ARG 59 2HG ARG 59 19.506 10.440 0.635 999 2HG ARG 59 1HG ARG 59 20.316 11.601 -0.388 1000 1HD ARG 59 1HD ARG 59 18.804 12.134 2.172 1001 2HD ARG 59 2HD ARG 59 20.506 12.452 1.838 1002 HE ARG 59 HE ARG 59 18.232 14.008 0.689 1003 1HH1 ARG 59 2HH2 ARG 59 21.061 13.881 -0.759 1004 2HH1 ARG 59 1HH2 ARG 59 22.030 14.840 0.310 1005 1HH2 ARG 59 2HH1 ARG 59 19.393 16.567 0.990 1006 2HH2 ARG 59 1HH1 ARG 59 20.450 16.022 2.249 1007 H GLU 60 H GLU 60 20.792 10.528 -1.993 1008 HA GLU 60 HA GLU 60 21.425 12.905 -3.570 1009 1HB GLU 60 2HB GLU 60 22.913 10.807 -2.156 1010 2HB GLU 60 1HB GLU 60 23.672 11.306 -3.649 1011 1HG GLU 60 2HG GLU 60 23.037 13.729 -2.687 1012 2HG GLU 60 1HG GLU 60 23.178 12.873 -1.172 1013 H TYR 61 H TYR 61 20.163 9.911 -4.348 1014 HA TYR 61 HA TYR 61 21.472 9.791 -7.008 1015 1HB TYR 61 1HB TYR 61 19.873 7.870 -5.338 1016 2HB TYR 61 2HB TYR 61 19.957 7.640 -7.066 1017 HD1 TYR 61 HD1 TYR 61 22.678 9.070 -4.947 1018 HD2 TYR 61 HD2 TYR 61 21.265 5.637 -7.144 1019 HE1 TYR 61 HE1 TYR 61 24.895 7.977 -4.659 1020 HE2 TYR 61 HE2 TYR 61 23.487 4.542 -6.859 1021 HH TYR 61 HH TYR 61 25.435 4.634 -5.562 1022 H ILE 62 H ILE 62 18.411 10.333 -5.369 1023 HA ILE 62 HA ILE 62 16.683 10.263 -7.634 1024 HB ILE 62 HB ILE 62 16.522 11.910 -5.089 1025 1HG1 ILE 62 2HG1 ILE 62 16.521 9.491 -4.707 1026 2HG1 ILE 62 1HG1 ILE 62 14.928 10.138 -4.408 1027 1HG2 ILE 62 2HG2 ILE 62 14.797 11.747 -7.477 1028 2HG2 ILE 62 3HG2 ILE 62 13.953 11.539 -5.943 1029 3HG2 ILE 62 1HG2 ILE 62 14.893 13.001 -6.241 1030 1HD1 ILE 62 2HD1 ILE 62 14.884 9.544 -7.123 1031 2HD1 ILE 62 3HD1 ILE 62 15.792 8.208 -6.417 1032 3HD1 ILE 62 1HD1 ILE 62 14.164 8.568 -5.843 1033 H ASN 63 H ASN 63 18.453 12.992 -6.148 1034 HA ASN 63 HA ASN 63 17.594 14.883 -8.170 1035 1HB ASN 63 1HB ASN 63 18.804 15.089 -5.703 1036 2HB ASN 63 2HB ASN 63 20.115 15.482 -6.788 1037 1HD2 ASN 63 2HD2 ASN 63 18.057 18.543 -6.002 1038 2HD2 ASN 63 1HD2 ASN 63 19.338 17.649 -5.341 1039 H SER 64 H SER 64 20.408 12.782 -7.752 1040 HA SER 64 HA SER 64 21.933 13.925 -9.922 1041 1HB SER 64 1HB SER 64 23.142 12.631 -8.324 1042 2HB SER 64 2HB SER 64 22.041 11.263 -8.492 1043 HG SER 64 HG SER 64 23.613 12.277 -10.614 1044 H LEU 65 H LEU 65 19.199 11.823 -9.819 1045 HA LEU 65 HA LEU 65 19.555 10.233 -12.115 1046 1HB LEU 65 1HB LEU 65 17.206 11.356 -10.677 1047 2HB LEU 65 2HB LEU 65 16.923 10.769 -12.298 1048 HG LEU 65 HG LEU 65 18.302 9.170 -10.128 1049 1HD1 LEU 65 3HD1 LEU 65 15.477 9.645 -10.719 1050 2HD1 LEU 65 1HD1 LEU 65 15.897 7.934 -10.779 1051 3HD1 LEU 65 2HD1 LEU 65 16.212 8.868 -9.316 1052 1HD2 LEU 65 3HD2 LEU 65 17.874 8.830 -13.007 1053 2HD2 LEU 65 1HD2 LEU 65 18.969 7.968 -11.927 1054 3HD2 LEU 65 2HD2 LEU 65 17.285 7.463 -12.062 1055 H GLU 66 H GLU 66 18.075 13.494 -11.941 1056 HA GLU 66 HA GLU 66 17.946 15.170 -13.581 1057 1HB GLU 66 1HB GLU 66 20.440 13.899 -13.979 1058 2HB GLU 66 2HB GLU 66 19.712 14.053 -15.578 1059 1HG GLU 66 1HG GLU 66 19.665 16.372 -15.482 1060 2HG GLU 66 2HG GLU 66 19.590 16.401 -13.721 1061 H MET 67 H MET 67 16.336 15.385 -15.069 1062 HA MET 67 HA MET 67 15.340 12.939 -16.400 1063 1HB MET 67 1HB MET 67 14.250 15.665 -15.830 1064 2HB MET 67 2HB MET 67 13.587 14.779 -17.202 1065 1HG MET 67 1HG MET 67 13.727 12.873 -15.164 1066 2HG MET 67 2HG MET 67 13.182 14.336 -14.346 1067 1HE MET 67 1HE MET 67 11.724 15.995 -16.121 1068 2HE MET 67 3HE MET 67 10.058 15.425 -16.222 1069 3HE MET 67 2HE MET 67 10.883 15.468 -14.664 1070 H SER 68 H SER 68 16.586 16.163 -17.256 1071 HA SER 68 HA SER 68 17.605 15.132 -19.784 1072 1HB SER 68 1HB SER 68 15.093 16.748 -19.670 1073 2HB SER 68 2HB SER 68 16.237 17.095 -20.967 1074 HG SER 68 HG SER 68 16.218 14.731 -21.297 No H/Q in entry = 1074 Start of MODEL 6 1 H SER 1 H SER 1 23.704 -13.062 2.114 2 HA SER 1 HA SER 1 24.358 -14.005 -0.569 3 1HB SER 1 1HB SER 1 22.076 -14.860 -1.059 4 2HB SER 1 2HB SER 1 22.898 -15.838 0.157 5 HG SER 1 HG SER 1 20.735 -14.109 0.408 6 HA PRO 2 HA PRO 2 22.951 -9.981 -1.567 7 1HB PRO 2 1HB PRO 2 21.585 -10.755 -3.993 8 2HB PRO 2 2HB PRO 2 23.172 -9.995 -3.834 9 1HG PRO 2 1HG PRO 2 22.590 -12.725 -4.563 10 2HG PRO 2 2HG PRO 2 24.178 -11.968 -4.388 11 1HD PRO 2 1HD PRO 2 22.931 -13.891 -2.636 12 2HD PRO 2 2HD PRO 2 24.524 -13.129 -2.459 13 H TYR 3 H TYR 3 20.585 -9.286 -2.984 14 HA TYR 3 HA TYR 3 18.274 -10.643 -1.887 15 1HB TYR 3 1HB TYR 3 19.548 -8.532 -0.313 16 2HB TYR 3 2HB TYR 3 17.859 -8.176 -0.675 17 HD1 TYR 3 HD2 TYR 3 16.458 -10.662 -0.678 18 HD2 TYR 3 HD1 TYR 3 19.775 -9.471 1.819 19 HE1 TYR 3 HE2 TYR 3 15.748 -12.310 1.053 20 HE2 TYR 3 HE1 TYR 3 19.063 -11.119 3.550 21 HH TYR 3 HH TYR 3 16.431 -12.269 4.026 22 H SER 4 H SER 4 16.261 -9.149 -2.240 23 HA SER 4 HA SER 4 16.670 -7.147 -4.377 24 1HB SER 4 1HB SER 4 16.277 -9.684 -5.201 25 2HB SER 4 2HB SER 4 14.596 -9.206 -4.958 26 HG SER 4 HG SER 4 16.318 -8.499 -6.912 27 H SER 5 H SER 5 14.548 -6.026 -4.868 28 HA SER 5 HA SER 5 12.269 -6.444 -3.152 29 1HB SER 5 1HB SER 5 14.391 -5.135 -1.898 30 2HB SER 5 2HB SER 5 13.313 -3.830 -2.392 31 HG SER 5 HG SER 5 12.767 -6.059 -0.754 32 H ASP 6 H ASP 6 10.582 -5.602 -4.252 33 HA ASP 6 HA ASP 6 11.017 -3.137 -5.885 34 1HB ASP 6 1HB ASP 6 9.763 -4.111 -7.746 35 2HB ASP 6 2HB ASP 6 11.121 -5.164 -7.362 36 H THR 7 H THR 7 8.280 -3.210 -6.894 37 HA THR 7 HA THR 7 7.021 -2.151 -4.489 38 HB THR 7 HB THR 7 6.796 -1.003 -6.675 39 HG1 THR 7 HG1 THR 7 4.751 -0.471 -6.300 40 1HG2 THR 7 3HG2 THR 7 6.566 -3.422 -7.789 41 2HG2 THR 7 1HG2 THR 7 4.848 -3.078 -7.587 42 3HG2 THR 7 2HG2 THR 7 5.859 -1.992 -8.541 43 H THR 8 H THR 8 4.595 -2.720 -4.175 44 HA THR 8 HA THR 8 4.061 -5.606 -4.678 45 HB THR 8 HB THR 8 3.673 -4.312 -1.963 46 HG1 THR 8 HG1 THR 8 5.788 -5.843 -3.035 47 1HG2 THR 8 1HG2 THR 8 2.702 -6.689 -3.158 48 2HG2 THR 8 2HG2 THR 8 3.951 -7.182 -2.015 49 3HG2 THR 8 3HG2 THR 8 2.581 -6.218 -1.463 50 HA PRO 9 HA PRO 9 0.420 -3.199 -5.891 51 1HB PRO 9 1HB PRO 9 -0.647 -5.617 -7.036 52 2HB PRO 9 2HB PRO 9 0.033 -4.223 -7.885 53 1HG PRO 9 2HG PRO 9 1.219 -6.841 -7.531 54 2HG PRO 9 1HG PRO 9 1.880 -5.464 -8.412 55 1HD PRO 9 1HD PRO 9 2.747 -6.512 -5.903 56 2HD PRO 9 2HD PRO 9 3.384 -5.122 -6.770 57 H CYS 10 H CYS 10 -0.740 -2.901 -4.005 58 HA CYS 10 HA CYS 10 -2.799 -4.838 -3.342 59 1HB CYS 10 1HB CYS 10 -2.112 -4.970 -0.905 60 2HB CYS 10 2HB CYS 10 -1.124 -5.895 -2.005 61 H CYS 11 H CYS 11 -4.497 -3.842 -2.180 62 HA CYS 11 HA CYS 11 -4.221 -0.926 -2.158 63 1HB CYS 11 1HB CYS 11 -6.659 -0.885 -1.766 64 2HB CYS 11 2HB CYS 11 -6.187 -1.741 -3.222 65 H PHE 12 H PHE 12 -4.780 0.392 -0.337 66 HA PHE 12 HA PHE 12 -4.125 -0.930 2.235 67 1HB PHE 12 1HB PHE 12 -3.764 1.410 3.042 68 2HB PHE 12 2HB PHE 12 -2.737 0.980 1.698 69 HD1 PHE 12 HD2 PHE 12 -5.664 2.972 2.762 70 HD2 PHE 12 HD1 PHE 12 -3.061 1.954 -0.529 71 HE1 PHE 12 HE2 PHE 12 -6.551 4.905 1.464 72 HE2 PHE 12 HE1 PHE 12 -3.939 3.899 -1.822 73 HZ PHE 12 HZ PHE 12 -5.687 5.369 -0.829 74 H ALA 13 H ALA 13 -6.551 1.314 0.863 75 HA ALA 13 HA ALA 13 -8.233 0.785 3.268 76 1HB ALA 13 1HB ALA 13 -7.781 3.169 2.754 77 2HB ALA 13 2HB ALA 13 -8.504 2.948 1.161 78 3HB ALA 13 3HB ALA 13 -9.498 2.789 2.610 79 H TYR 14 H TYR 14 -10.105 -0.299 3.091 80 HA TYR 14 HA TYR 14 -10.756 -1.360 0.420 81 1HB TYR 14 2HB TYR 14 -12.513 -2.272 2.560 82 2HB TYR 14 1HB TYR 14 -11.534 -3.211 1.466 83 HD1 TYR 14 HD2 TYR 14 -9.216 -3.858 2.043 84 HD2 TYR 14 HD1 TYR 14 -11.662 -1.546 4.749 85 HE1 TYR 14 HE2 TYR 14 -7.615 -4.324 3.890 86 HE2 TYR 14 HE1 TYR 14 -10.058 -2.013 6.596 87 HH TYR 14 HH TYR 14 -8.043 -4.316 6.753 88 H ILE 15 H ILE 15 -12.412 -0.525 -0.753 89 HA ILE 15 HA ILE 15 -13.841 1.784 -0.037 90 HB ILE 15 HB ILE 15 -14.719 -0.426 -1.922 91 1HG1 ILE 15 2HG1 ILE 15 -13.155 2.127 -2.420 92 2HG1 ILE 15 1HG1 ILE 15 -12.483 0.496 -2.441 93 1HG2 ILE 15 1HG2 ILE 15 -15.999 2.001 -1.061 94 2HG2 ILE 15 2HG2 ILE 15 -15.554 2.156 -2.760 95 3HG2 ILE 15 3HG2 ILE 15 -16.570 0.814 -2.234 96 1HD1 ILE 15 2HD1 ILE 15 -14.288 -0.019 -4.218 97 2HD1 ILE 15 3HD1 ILE 15 -14.472 1.730 -4.350 98 3HD1 ILE 15 1HD1 ILE 15 -12.921 0.976 -4.721 99 H ALA 16 H ALA 16 -15.617 2.137 1.222 100 HA ALA 16 HA ALA 16 -16.717 -0.112 2.741 101 1HB ALA 16 2HB ALA 16 -16.315 2.514 3.328 102 2HB ALA 16 3HB ALA 16 -18.028 2.536 2.910 103 3HB ALA 16 1HB ALA 16 -17.448 1.483 4.201 104 H ARG 17 H ARG 17 -17.623 -1.216 0.818 105 HA ARG 17 HA ARG 17 -20.390 -1.001 0.540 106 1HB ARG 17 2HB ARG 17 -18.942 0.984 -1.059 107 2HB ARG 17 1HB ARG 17 -20.011 -0.034 -2.025 108 1HG ARG 17 1HG ARG 17 -21.404 0.653 0.368 109 2HG ARG 17 2HG ARG 17 -20.714 2.137 -0.290 110 1HD ARG 17 1HD ARG 17 -21.646 1.348 -2.562 111 2HD ARG 17 2HD ARG 17 -22.601 0.195 -1.629 112 HE ARG 17 HE ARG 17 -22.817 2.993 -0.748 113 1HH1 ARG 17 1HH2 ARG 17 -24.942 0.938 -0.256 114 2HH1 ARG 17 2HH2 ARG 17 -26.181 1.584 -1.278 115 1HH2 ARG 17 1HH1 ARG 17 -24.182 3.517 -3.173 116 2HH2 ARG 17 2HH1 ARG 17 -25.321 2.244 -3.458 117 HA PRO 18 HA PRO 18 -18.681 -4.839 -1.153 118 1HB PRO 18 1HB PRO 18 -21.404 -5.710 -1.571 119 2HB PRO 18 2HB PRO 18 -20.261 -6.297 -0.400 120 1HG PRO 18 1HG PRO 18 -22.536 -4.594 0.074 121 2HG PRO 18 2HG PRO 18 -21.399 -5.237 1.263 122 1HD PRO 18 2HD PRO 18 -21.620 -2.535 0.387 123 2HD PRO 18 1HD PRO 18 -20.384 -3.204 1.440 124 H LEU 19 H LEU 19 -17.926 -4.413 -3.203 125 HA LEU 19 HA LEU 19 -19.359 -3.073 -5.265 126 1HB LEU 19 1HB LEU 19 -17.223 -5.171 -5.730 127 2HB LEU 19 2HB LEU 19 -17.629 -3.806 -6.766 128 HG LEU 19 HG LEU 19 -16.379 -3.664 -4.006 129 1HD1 LEU 19 1HD1 LEU 19 -14.931 -4.325 -5.976 130 2HD1 LEU 19 2HD1 LEU 19 -15.308 -2.756 -6.686 131 3HD1 LEU 19 3HD1 LEU 19 -14.433 -2.843 -5.158 132 1HD2 LEU 19 2HD2 LEU 19 -17.847 -1.696 -5.614 133 2HD2 LEU 19 3HD2 LEU 19 -17.379 -1.631 -3.914 134 3HD2 LEU 19 1HD2 LEU 19 -16.227 -1.159 -5.164 135 HA PRO 20 HA PRO 20 -22.212 -6.072 -6.747 136 1HB PRO 20 1HB PRO 20 -21.635 -5.550 -9.538 137 2HB PRO 20 2HB PRO 20 -23.032 -5.018 -8.595 138 1HG PRO 20 1HG PRO 20 -20.827 -3.413 -9.514 139 2HG PRO 20 2HG PRO 20 -22.194 -2.894 -8.523 140 1HD PRO 20 1HD PRO 20 -19.447 -3.271 -7.710 141 2HD PRO 20 2HD PRO 20 -20.815 -2.726 -6.719 142 H ARG 21 H ARG 21 -21.563 -8.182 -6.545 143 HA ARG 21 HA ARG 21 -19.097 -9.300 -7.212 144 1HB ARG 21 1HB ARG 21 -20.819 -10.458 -5.869 145 2HB ARG 21 2HB ARG 21 -21.791 -10.688 -7.321 146 1HG ARG 21 1HG ARG 21 -18.948 -11.609 -7.389 147 2HG ARG 21 2HG ARG 21 -20.102 -12.573 -6.466 148 1HD ARG 21 2HD ARG 21 -21.200 -11.773 -9.042 149 2HD ARG 21 1HD ARG 21 -19.696 -12.675 -9.234 150 HE ARG 21 HE ARG 21 -21.351 -14.029 -7.336 151 1HH1 ARG 21 1HH2 ARG 21 -23.573 -13.662 -9.186 152 2HH1 ARG 21 2HH2 ARG 21 -23.142 -14.460 -10.662 153 1HH2 ARG 21 1HH1 ARG 21 -20.758 -16.198 -9.098 154 2HH2 ARG 21 2HH1 ARG 21 -20.831 -15.505 -10.683 155 H ALA 22 H ALA 22 -21.959 -9.004 -9.313 156 HA ALA 22 HA ALA 22 -20.741 -10.465 -11.498 157 1HB ALA 22 2HB ALA 22 -23.275 -9.861 -11.006 158 2HB ALA 22 3HB ALA 22 -22.890 -8.434 -11.969 159 3HB ALA 22 1HB ALA 22 -22.702 -10.044 -12.663 160 H HIS 23 H HIS 23 -20.845 -7.071 -10.551 161 HA HIS 23 HA HIS 23 -19.836 -6.059 -13.055 162 1HB HIS 23 2HB HIS 23 -19.821 -4.907 -10.261 163 2HB HIS 23 1HB HIS 23 -19.245 -4.035 -11.660 164 HD2 HIS 23 HD2 HIS 23 -22.459 -6.233 -12.075 165 HE1 HIS 23 HE1 HIS 23 -23.643 -2.174 -12.105 166 HE2 HIS 23 HE2 HIS 23 -24.428 -4.567 -12.470 167 H ILE 24 H ILE 24 -18.291 -7.464 -10.216 168 HA ILE 24 HA ILE 24 -15.652 -6.483 -10.979 169 HB ILE 24 HB ILE 24 -16.150 -8.800 -9.145 170 1HG1 ILE 24 2HG1 ILE 24 -16.061 -5.904 -8.319 171 2HG1 ILE 24 1HG1 ILE 24 -17.559 -6.789 -8.501 172 1HG2 ILE 24 3HG2 ILE 24 -13.905 -7.052 -9.878 173 2HG2 ILE 24 1HG2 ILE 24 -14.107 -7.275 -8.144 174 3HG2 ILE 24 2HG2 ILE 24 -13.887 -8.676 -9.192 175 1HD1 ILE 24 1HD1 ILE 24 -15.508 -8.177 -6.899 176 2HD1 ILE 24 2HD1 ILE 24 -16.081 -6.669 -6.186 177 3HD1 ILE 24 3HD1 ILE 24 -17.228 -7.955 -6.566 178 H LYS 25 H LYS 25 -13.867 -8.076 -11.480 179 HA LYS 25 HA LYS 25 -14.917 -10.368 -13.086 180 1HB LYS 25 2HB LYS 25 -14.136 -8.673 -14.618 181 2HB LYS 25 1HB LYS 25 -12.644 -8.478 -13.749 182 1HG LYS 25 1HG LYS 25 -11.817 -10.567 -14.473 183 2HG LYS 25 2HG LYS 25 -13.428 -11.157 -14.880 184 1HD LYS 25 1HD LYS 25 -13.437 -9.174 -16.591 185 2HD LYS 25 2HD LYS 25 -11.686 -9.225 -16.391 186 1HE LYS 25 1HE LYS 25 -12.974 -11.856 -16.801 187 2HE LYS 25 2HE LYS 25 -13.058 -10.761 -18.181 188 1HZ LYS 25 2HZ LYS 25 -10.555 -10.401 -17.588 189 2HZ LYS 25 3HZ LYS 25 -10.711 -11.936 -16.877 190 3HZ LYS 25 1HZ LYS 25 -11.040 -11.728 -18.530 191 H GLU 26 H GLU 26 -12.054 -9.115 -11.311 192 HA GLU 26 HA GLU 26 -11.552 -11.860 -10.371 193 1HB GLU 26 1HB GLU 26 -10.002 -12.030 -11.999 194 2HB GLU 26 2HB GLU 26 -10.007 -10.337 -12.344 195 1HG GLU 26 1HG GLU 26 -7.867 -10.556 -11.623 196 2HG GLU 26 2HG GLU 26 -8.584 -10.247 -10.082 197 H TYR 27 H TYR 27 -9.601 -11.621 -8.689 198 HA TYR 27 HA TYR 27 -9.748 -9.012 -7.338 199 1HB TYR 27 2HB TYR 27 -10.263 -9.984 -5.197 200 2HB TYR 27 1HB TYR 27 -11.443 -10.597 -6.323 201 HD1 TYR 27 HD2 TYR 27 -11.247 -12.914 -7.262 202 HD2 TYR 27 HD1 TYR 27 -8.640 -11.464 -4.140 203 HE1 TYR 27 HE2 TYR 27 -10.560 -15.254 -6.750 204 HE2 TYR 27 HE1 TYR 27 -7.952 -13.805 -3.629 205 HH TYR 27 HH TYR 27 -8.995 -16.517 -5.653 206 H PHE 28 H PHE 28 -7.958 -9.123 -5.440 207 HA PHE 28 HA PHE 28 -5.802 -10.932 -6.273 208 1HB PHE 28 1HB PHE 28 -5.416 -9.009 -7.699 209 2HB PHE 28 2HB PHE 28 -5.535 -7.921 -6.321 210 HD1 PHE 28 HD1 PHE 28 -3.453 -10.500 -7.985 211 HD2 PHE 28 HD2 PHE 28 -3.707 -7.678 -4.727 212 HE1 PHE 28 HE1 PHE 28 -1.020 -10.803 -7.529 213 HE2 PHE 28 HE2 PHE 28 -1.289 -8.005 -4.251 214 HZ PHE 28 HZ PHE 28 0.064 -9.553 -5.663 215 H TYR 29 H TYR 29 -6.044 -11.867 -4.166 216 HA TYR 29 HA TYR 29 -5.944 -10.290 -1.777 217 1HB TYR 29 1HB TYR 29 -6.785 -12.590 -1.765 218 2HB TYR 29 2HB TYR 29 -5.211 -13.189 -2.218 219 HD1 TYR 29 HD2 TYR 29 -7.090 -11.413 0.466 220 HD2 TYR 29 HD1 TYR 29 -3.485 -13.538 -0.599 221 HE1 TYR 29 HE2 TYR 29 -6.451 -11.537 2.871 222 HE2 TYR 29 HE1 TYR 29 -2.849 -13.665 1.806 223 HH TYR 29 HH TYR 29 -4.369 -11.812 4.219 224 H THR 30 H THR 30 -4.266 -9.356 -0.829 225 HA THR 30 HA THR 30 -1.573 -9.687 -1.994 226 HB THR 30 HB THR 30 -2.245 -7.415 -1.560 227 HG1 THR 30 HG1 THR 30 -0.582 -6.801 -0.207 228 1HG2 THR 30 3HG2 THR 30 -2.973 -8.525 1.148 229 2HG2 THR 30 1HG2 THR 30 -2.673 -6.800 0.927 230 3HG2 THR 30 2HG2 THR 30 -3.974 -7.589 0.035 231 H SER 31 H SER 31 0.285 -9.704 -0.265 232 HA SER 31 HA SER 31 -0.259 -12.015 1.504 233 1HB SER 31 1HB SER 31 2.396 -10.667 0.957 234 2HB SER 31 2HB SER 31 2.130 -12.278 1.622 235 HG SER 31 HG SER 31 1.315 -12.938 -0.335 236 H GLY 32 H GLY 32 1.862 -11.458 3.370 237 1HA GLY 32 2HA GLY 32 0.447 -9.455 5.044 238 2HA GLY 32 1HA GLY 32 1.595 -10.657 5.633 239 H LYS 33 H LYS 33 2.174 -8.608 2.824 240 HA LYS 33 HA LYS 33 4.227 -7.132 4.425 241 1HB LYS 33 1HB LYS 33 5.564 -7.078 2.270 242 2HB LYS 33 2HB LYS 33 5.437 -8.652 3.016 243 1HG LYS 33 1HG LYS 33 3.488 -9.147 1.507 244 2HG LYS 33 2HG LYS 33 3.801 -7.617 0.688 245 1HD LYS 33 1HD LYS 33 4.868 -9.514 -0.493 246 2HD LYS 33 2HD LYS 33 6.059 -8.384 0.102 247 1HE LYS 33 1HE LYS 33 6.826 -9.826 1.736 248 2HE LYS 33 2HE LYS 33 5.267 -10.636 1.892 249 1HZ LYS 33 2HZ LYS 33 6.962 -10.867 -0.527 250 2HZ LYS 33 3HZ LYS 33 7.072 -11.950 0.777 251 3HZ LYS 33 1HZ LYS 33 5.622 -11.819 -0.098 252 H CYS 34 H CYS 34 1.483 -6.364 3.808 253 HA CYS 34 HA CYS 34 2.053 -3.941 2.153 254 1HB CYS 34 2HB CYS 34 0.602 -5.701 1.019 255 2HB CYS 34 1HB CYS 34 -0.608 -5.380 2.258 256 H SER 35 H SER 35 1.353 -5.019 5.208 257 HA SER 35 HA SER 35 0.382 -4.030 7.102 258 1HB SER 35 1HB SER 35 2.095 -2.328 6.558 259 2HB SER 35 2HB SER 35 0.938 -1.512 5.505 260 HG SER 35 HG SER 35 1.145 -1.510 8.235 261 H ASN 36 H ASN 36 -1.334 -4.710 4.736 262 HA ASN 36 HA ASN 36 -3.833 -3.753 5.729 263 1HB ASN 36 1HB ASN 36 -2.477 -2.065 3.730 264 2HB ASN 36 2HB ASN 36 -4.124 -2.520 3.294 265 1HD2 ASN 36 1HD2 ASN 36 -5.164 -1.584 6.677 266 2HD2 ASN 36 2HD2 ASN 36 -5.917 -1.792 5.169 267 HA PRO 37 HA PRO 37 -3.554 -7.451 2.885 268 1HB PRO 37 1HB PRO 37 -5.411 -8.702 4.730 269 2HB PRO 37 2HB PRO 37 -3.758 -9.191 4.344 270 1HG PRO 37 1HG PRO 37 -4.688 -7.948 6.760 271 2HG PRO 37 2HG PRO 37 -3.041 -8.384 6.354 272 1HD PRO 37 2HD PRO 37 -4.176 -5.742 6.500 273 2HD PRO 37 1HD PRO 37 -2.512 -6.185 6.077 274 H ALA 38 H ALA 38 -5.358 -8.283 1.604 275 HA ALA 38 HA ALA 38 -8.093 -7.614 1.972 276 1HB ALA 38 1HB ALA 38 -6.738 -5.287 1.492 277 2HB ALA 38 2HB ALA 38 -7.062 -5.785 -0.168 278 3HB ALA 38 3HB ALA 38 -8.397 -5.549 0.961 279 H VAL 39 H VAL 39 -8.731 -7.069 -0.747 280 HA VAL 39 HA VAL 39 -7.396 -9.143 -2.360 281 HB VAL 39 HB VAL 39 -9.859 -9.914 -2.996 282 1HG1 VAL 39 1HG1 VAL 39 -7.762 -10.908 -1.383 283 2HG1 VAL 39 2HG1 VAL 39 -9.258 -11.253 -0.515 284 3HG1 VAL 39 3HG1 VAL 39 -9.041 -11.835 -2.166 285 1HG2 VAL 39 1HG2 VAL 39 -10.898 -8.304 -1.386 286 2HG2 VAL 39 2HG2 VAL 39 -11.360 -9.979 -1.097 287 3HG2 VAL 39 3HG2 VAL 39 -10.155 -9.208 -0.056 288 H VAL 40 H VAL 40 -6.746 -7.448 -3.597 289 HA VAL 40 HA VAL 40 -8.327 -5.239 -4.343 290 HB VAL 40 HB VAL 40 -5.755 -6.435 -5.150 291 1HG1 VAL 40 3HG1 VAL 40 -6.812 -6.055 -7.370 292 2HG1 VAL 40 1HG1 VAL 40 -7.118 -4.380 -6.912 293 3HG1 VAL 40 2HG1 VAL 40 -5.460 -4.961 -7.079 294 1HG2 VAL 40 1HG2 VAL 40 -6.925 -3.914 -4.109 295 2HG2 VAL 40 2HG2 VAL 40 -5.450 -4.756 -3.623 296 3HG2 VAL 40 3HG2 VAL 40 -5.454 -3.747 -5.071 297 H PHE 41 H PHE 41 -10.102 -5.216 -5.511 298 HA PHE 41 HA PHE 41 -10.772 -7.412 -7.283 299 1HB PHE 41 2HB PHE 41 -12.111 -4.866 -6.441 300 2HB PHE 41 1HB PHE 41 -12.704 -5.722 -7.842 301 HD1 PHE 41 HD2 PHE 41 -12.291 -8.567 -7.087 302 HD2 PHE 41 HD1 PHE 41 -13.713 -5.223 -4.755 303 HE1 PHE 41 HE2 PHE 41 -13.592 -10.126 -5.642 304 HE2 PHE 41 HE1 PHE 41 -15.028 -6.778 -3.330 305 HZ PHE 41 HZ PHE 41 -14.983 -9.229 -3.774 306 H VAL 42 H VAL 42 -11.503 -6.965 -9.434 307 HA VAL 42 HA VAL 42 -10.147 -4.788 -10.902 308 HB VAL 42 HB VAL 42 -9.714 -6.889 -12.583 309 1HG1 VAL 42 2HG2 VAL 42 -8.238 -4.934 -11.487 310 2HG1 VAL 42 3HG2 VAL 42 -7.544 -6.316 -10.637 311 3HG1 VAL 42 1HG2 VAL 42 -7.513 -6.259 -12.400 312 1HG2 VAL 42 3HG1 VAL 42 -9.305 -7.908 -9.778 313 2HG2 VAL 42 1HG1 VAL 42 -10.156 -8.684 -11.113 314 3HG2 VAL 42 2HG1 VAL 42 -8.400 -8.543 -11.148 315 H THR 43 H THR 43 -12.457 -4.192 -11.021 316 HA THR 43 HA THR 43 -14.366 -6.118 -12.121 317 HB THR 43 HB THR 43 -16.031 -4.518 -11.652 318 HG1 THR 43 HG1 THR 43 -15.501 -2.310 -11.401 319 1HG2 THR 43 3HG2 THR 43 -14.750 -5.323 -9.634 320 2HG2 THR 43 1HG2 THR 43 -13.825 -3.823 -9.696 321 3HG2 THR 43 2HG2 THR 43 -15.564 -3.776 -9.405 322 H ARG 44 H ARG 44 -15.977 -4.292 -13.635 323 HA ARG 44 HA ARG 44 -15.156 -4.885 -16.205 324 1HB ARG 44 2HB ARG 44 -16.564 -2.811 -16.884 325 2HB ARG 44 1HB ARG 44 -17.373 -4.086 -16.009 326 1HG ARG 44 1HG ARG 44 -16.318 -2.413 -14.012 327 2HG ARG 44 2HG ARG 44 -16.959 -1.322 -15.236 328 1HD ARG 44 1HD ARG 44 -18.607 -3.681 -14.390 329 2HD ARG 44 2HD ARG 44 -18.534 -2.269 -13.336 330 HE ARG 44 HE ARG 44 -19.621 -0.973 -15.060 331 1HH1 ARG 44 1HH1 ARG 44 -18.996 -1.553 -17.651 332 2HH1 ARG 44 2HH1 ARG 44 -20.352 -2.493 -18.178 333 1HH2 ARG 44 1HH2 ARG 44 -20.739 -4.003 -15.069 334 2HH2 ARG 44 2HH2 ARG 44 -21.342 -3.928 -16.691 335 H LYS 45 H LYS 45 -14.690 -1.657 -14.663 336 HA LYS 45 HA LYS 45 -12.873 -0.705 -16.678 337 1HB LYS 45 2HB LYS 45 -13.592 0.070 -13.895 338 2HB LYS 45 1HB LYS 45 -11.996 0.577 -14.447 339 1HG LYS 45 1HG LYS 45 -14.260 0.995 -16.336 340 2HG LYS 45 2HG LYS 45 -14.211 2.036 -14.914 341 1HD LYS 45 1HD LYS 45 -12.284 3.090 -15.583 342 2HD LYS 45 2HD LYS 45 -11.644 1.648 -16.371 343 1HE LYS 45 1HE LYS 45 -13.457 1.963 -18.135 344 2HE LYS 45 2HE LYS 45 -13.757 3.546 -17.418 345 1HZ LYS 45 3HZ LYS 45 -10.996 2.839 -18.077 346 2HZ LYS 45 1HZ LYS 45 -12.041 3.224 -19.360 347 3HZ LYS 45 2HZ LYS 45 -11.769 4.351 -18.119 348 H ASN 46 H ASN 46 -12.642 -2.730 -13.870 349 HA ASN 46 HA ASN 46 -11.064 -4.256 -13.186 350 1HB ASN 46 1HB ASN 46 -10.570 -3.888 -15.981 351 2HB ASN 46 2HB ASN 46 -9.019 -3.926 -15.186 352 1HD2 ASN 46 1HD2 ASN 46 -9.463 -7.433 -15.691 353 2HD2 ASN 46 2HD2 ASN 46 -8.406 -6.110 -15.806 354 H ARG 47 H ARG 47 -10.792 -1.184 -12.852 355 HA ARG 47 HA ARG 47 -7.994 -0.670 -12.433 356 1HB ARG 47 2HB ARG 47 -10.552 0.356 -11.230 357 2HB ARG 47 1HB ARG 47 -9.036 0.719 -10.419 358 1HG ARG 47 1HG ARG 47 -8.431 1.282 -13.047 359 2HG ARG 47 2HG ARG 47 -10.119 1.783 -12.942 360 1HD ARG 47 1HD ARG 47 -9.656 3.501 -11.504 361 2HD ARG 47 2HD ARG 47 -8.389 2.598 -10.675 362 HE ARG 47 HE ARG 47 -7.237 3.087 -13.106 363 1HH1 ARG 47 2HH2 ARG 47 -8.756 5.440 -13.756 364 2HH1 ARG 47 1HH2 ARG 47 -8.299 6.676 -12.632 365 1HH2 ARG 47 1HH1 ARG 47 -6.870 5.224 -10.418 366 2HH2 ARG 47 2HH1 ARG 47 -5.789 5.598 -11.718 367 H GLN 48 H GLN 48 -6.843 -1.050 -10.277 368 HA GLN 48 HA GLN 48 -7.825 -3.596 -9.256 369 1HB GLN 48 2HB GLN 48 -5.262 -2.151 -9.138 370 2HB GLN 48 1HB GLN 48 -5.628 -3.165 -7.757 371 1HG GLN 48 1HG GLN 48 -6.133 -5.050 -9.256 372 2HG GLN 48 2HG GLN 48 -5.828 -4.036 -10.657 373 1HE2 GLN 48 1HE2 GLN 48 -2.993 -4.367 -7.886 374 2HE2 GLN 48 2HE2 GLN 48 -3.723 -5.885 -8.106 375 H VAL 49 H VAL 49 -9.695 -2.723 -8.453 376 HA VAL 49 HA VAL 49 -10.011 -0.735 -6.506 377 HB VAL 49 HB VAL 49 -11.874 -2.945 -6.141 378 1HG1 VAL 49 2HG1 VAL 49 -11.995 -0.049 -6.941 379 2HG1 VAL 49 3HG1 VAL 49 -13.443 -1.056 -6.902 380 3HG1 VAL 49 1HG1 VAL 49 -12.511 -0.793 -5.427 381 1HG2 VAL 49 3HG2 VAL 49 -11.403 -1.931 -8.980 382 2HG2 VAL 49 1HG2 VAL 49 -11.519 -3.605 -8.450 383 3HG2 VAL 49 2HG2 VAL 49 -12.956 -2.585 -8.466 384 H CYS 50 H CYS 50 -11.332 -1.956 -4.348 385 HA CYS 50 HA CYS 50 -9.226 -3.600 -3.017 386 1HB CYS 50 1HB CYS 50 -9.286 -0.983 -2.565 387 2HB CYS 50 2HB CYS 50 -10.640 -1.412 -1.526 388 H ALA 51 H ALA 51 -10.040 -4.994 -1.414 389 HA ALA 51 HA ALA 51 -12.841 -4.798 -0.570 390 1HB ALA 51 2HB ALA 51 -12.096 -6.537 -2.760 391 2HB ALA 51 3HB ALA 51 -12.636 -7.489 -1.375 392 3HB ALA 51 1HB ALA 51 -13.686 -6.248 -2.051 393 H ASN 52 H ASN 52 -12.718 -5.081 1.440 394 HA ASN 52 HA ASN 52 -10.651 -5.842 3.034 395 1HB ASN 52 2HB ASN 52 -13.067 -5.052 3.517 396 2HB ASN 52 1HB ASN 52 -13.462 -6.731 3.546 397 1HD2 ASN 52 1HD2 ASN 52 -10.818 -5.493 6.453 398 2HD2 ASN 52 2HD2 ASN 52 -10.840 -4.678 4.965 399 HA PRO 53 HA PRO 53 -10.199 -10.164 2.255 400 1HB PRO 53 2HB PRO 53 -8.551 -10.720 4.396 401 2HB PRO 53 1HB PRO 53 -8.000 -10.048 2.885 402 1HG PRO 53 2HG PRO 53 -8.267 -8.719 5.508 403 2HG PRO 53 1HG PRO 53 -7.332 -8.219 4.097 404 1HD PRO 53 2HD PRO 53 -9.843 -7.162 4.958 405 2HD PRO 53 1HD PRO 53 -8.979 -6.760 3.480 406 H GLU 54 H GLU 54 -11.895 -8.857 4.895 407 HA GLU 54 HA GLU 54 -12.870 -11.565 5.627 408 1HB GLU 54 1HB GLU 54 -10.960 -10.682 7.174 409 2HB GLU 54 2HB GLU 54 -12.218 -9.638 7.837 410 1HG GLU 54 1HG GLU 54 -12.429 -11.515 9.202 411 2HG GLU 54 2HG GLU 54 -13.604 -11.881 7.939 412 H LYS 55 H LYS 55 -13.951 -8.853 4.424 413 HA LYS 55 HA LYS 55 -16.059 -8.227 6.392 414 1HB LYS 55 2HB LYS 55 -15.270 -7.092 3.748 415 2HB LYS 55 1HB LYS 55 -16.902 -6.847 4.294 416 1HG LYS 55 1HG LYS 55 -15.104 -6.373 6.485 417 2HG LYS 55 2HG LYS 55 -14.589 -5.422 5.093 418 1HD LYS 55 1HD LYS 55 -16.532 -4.175 5.052 419 2HD LYS 55 2HD LYS 55 -17.507 -5.481 5.725 420 1HE LYS 55 1HE LYS 55 -17.109 -4.830 7.865 421 2HE LYS 55 2HE LYS 55 -15.409 -4.493 7.541 422 1HZ LYS 55 2HZ LYS 55 -16.239 -2.473 6.302 423 2HZ LYS 55 3HZ LYS 55 -17.746 -2.753 7.033 424 3HZ LYS 55 1HZ LYS 55 -16.384 -2.430 7.994 425 H LYS 56 H LYS 56 -16.171 -10.931 5.608 426 HA LYS 56 HA LYS 56 -17.635 -12.547 4.779 427 1HB LYS 56 1HB LYS 56 -19.240 -10.258 5.706 428 2HB LYS 56 2HB LYS 56 -20.088 -11.341 4.601 429 1HG LYS 56 1HG LYS 56 -18.512 -12.382 6.962 430 2HG LYS 56 2HG LYS 56 -20.208 -11.923 7.104 431 1HD LYS 56 1HD LYS 56 -19.984 -13.526 4.771 432 2HD LYS 56 2HD LYS 56 -19.091 -14.355 6.046 433 1HE LYS 56 1HE LYS 56 -21.200 -13.766 7.508 434 2HE LYS 56 2HE LYS 56 -22.002 -13.615 5.945 435 1HZ LYS 56 1HZ LYS 56 -20.884 -15.881 5.488 436 2HZ LYS 56 2HZ LYS 56 -20.772 -15.986 7.180 437 3HZ LYS 56 3HZ LYS 56 -22.291 -15.829 6.437 438 H TRP 57 H TRP 57 -19.545 -9.992 3.279 439 HA TRP 57 HA TRP 57 -19.971 -11.163 0.835 440 1HB TRP 57 1HB TRP 57 -20.486 -8.996 -0.042 441 2HB TRP 57 2HB TRP 57 -20.920 -8.975 1.668 442 HD1 TRP 57 HD1 TRP 57 -19.755 -7.136 3.097 443 HE1 TRP 57 HE1 TRP 57 -17.992 -5.327 2.555 444 HE3 TRP 57 HE3 TRP 57 -18.340 -8.733 -1.489 445 HZ2 TRP 57 HZ2 TRP 57 -16.146 -4.694 0.406 446 HZ3 TRP 57 HZ3 TRP 57 -16.709 -7.495 -2.830 447 HH2 TRP 57 HH2 TRP 57 -15.583 -5.480 -1.882 448 H VAL 58 H VAL 58 -17.055 -9.308 1.651 449 HA VAL 58 HA VAL 58 -15.871 -9.134 -0.879 450 HB VAL 58 HB VAL 58 -13.652 -9.520 0.479 451 1HG1 VAL 58 1HG1 VAL 58 -14.611 -7.351 -0.293 452 2HG1 VAL 58 2HG1 VAL 58 -15.506 -7.267 1.223 453 3HG1 VAL 58 3HG1 VAL 58 -13.747 -7.237 1.236 454 1HG2 VAL 58 1HG2 VAL 58 -15.520 -10.331 2.384 455 2HG2 VAL 58 2HG2 VAL 58 -13.819 -9.972 2.669 456 3HG2 VAL 58 3HG2 VAL 58 -15.040 -8.719 2.880 457 H ARG 59 H ARG 59 -15.371 -11.870 1.402 458 HA ARG 59 HA ARG 59 -14.019 -13.468 -0.566 459 1HB ARG 59 2HB ARG 59 -15.379 -14.174 2.048 460 2HB ARG 59 1HB ARG 59 -14.500 -15.348 1.068 461 1HG ARG 59 2HG ARG 59 -12.449 -14.099 1.301 462 2HG ARG 59 1HG ARG 59 -13.283 -12.760 2.052 463 1HD ARG 59 1HD ARG 59 -12.533 -13.804 3.963 464 2HD ARG 59 2HD ARG 59 -14.040 -14.694 3.749 465 HE ARG 59 HE ARG 59 -12.709 -16.510 2.702 466 1HH1 ARG 59 1HH2 ARG 59 -10.916 -14.339 4.960 467 2HH1 ARG 59 2HH2 ARG 59 -10.512 -15.913 5.557 468 1HH2 ARG 59 1HH1 ARG 59 -10.344 -16.730 2.018 469 2HH2 ARG 59 2HH1 ARG 59 -9.275 -16.622 3.377 470 H GLU 60 H GLU 60 -17.371 -12.987 0.311 471 HA GLU 60 HA GLU 60 -18.515 -15.306 -0.863 472 1HB GLU 60 2HB GLU 60 -19.561 -12.488 -0.559 473 2HB GLU 60 1HB GLU 60 -20.532 -13.778 -1.225 474 1HG GLU 60 2HG GLU 60 -19.130 -14.175 1.401 475 2HG GLU 60 1HG GLU 60 -20.655 -13.291 1.344 476 H TYR 61 H TYR 61 -16.986 -12.541 -2.282 477 HA TYR 61 HA TYR 61 -18.051 -13.285 -4.965 478 1HB TYR 61 1HB TYR 61 -16.447 -10.838 -4.160 479 2HB TYR 61 2HB TYR 61 -17.213 -11.118 -5.721 480 HD1 TYR 61 HD2 TYR 61 -19.705 -12.532 -4.139 481 HD2 TYR 61 HD1 TYR 61 -17.744 -8.683 -4.024 482 HE1 TYR 61 HE2 TYR 61 -21.809 -11.481 -3.317 483 HE2 TYR 61 HE1 TYR 61 -19.856 -7.634 -3.221 484 HH TYR 61 HH TYR 61 -22.523 -8.410 -3.495 485 H ILE 62 H ILE 62 -15.172 -13.146 -2.979 486 HA ILE 62 HA ILE 62 -13.185 -13.415 -4.995 487 HB ILE 62 HB ILE 62 -13.308 -14.517 -2.171 488 1HG1 ILE 62 1HG1 ILE 62 -11.735 -12.182 -3.281 489 2HG1 ILE 62 2HG1 ILE 62 -13.343 -12.004 -2.581 490 1HG2 ILE 62 3HG2 ILE 62 -11.469 -15.146 -4.271 491 2HG2 ILE 62 1HG2 ILE 62 -10.632 -14.135 -3.093 492 3HG2 ILE 62 2HG2 ILE 62 -11.400 -15.636 -2.578 493 1HD1 ILE 62 2HD1 ILE 62 -12.086 -13.503 -0.664 494 2HD1 ILE 62 3HD1 ILE 62 -10.754 -12.509 -1.254 495 3HD1 ILE 62 1HD1 ILE 62 -12.211 -11.745 -0.620 496 H ASN 63 H ASN 63 -15.464 -15.730 -3.659 497 HA ASN 63 HA ASN 63 -14.169 -17.923 -5.200 498 1HB ASN 63 2HB ASN 63 -14.827 -18.292 -2.796 499 2HB ASN 63 1HB ASN 63 -16.496 -18.090 -3.271 500 1HD2 ASN 63 2HD2 ASN 63 -15.516 -21.282 -2.653 501 2HD2 ASN 63 1HD2 ASN 63 -14.037 -20.951 -3.418 502 H SER 64 H SER 64 -17.290 -16.247 -4.826 503 HA SER 64 HA SER 64 -18.797 -17.709 -6.708 504 1HB SER 64 1HB SER 64 -18.858 -14.849 -5.797 505 2HB SER 64 2HB SER 64 -19.908 -15.366 -7.094 506 HG SER 64 HG SER 64 -20.826 -16.869 -5.747 507 H LEU 65 H LEU 65 -16.161 -15.500 -7.212 508 HA LEU 65 HA LEU 65 -16.685 -14.690 -9.886 509 1HB LEU 65 2HB LEU 65 -14.186 -15.056 -8.266 510 2HB LEU 65 1HB LEU 65 -14.058 -14.711 -9.974 511 HG LEU 65 HG LEU 65 -15.886 -13.038 -8.289 512 1HD1 LEU 65 3HD1 LEU 65 -13.552 -13.257 -7.209 513 2HD1 LEU 65 1HD1 LEU 65 -12.955 -12.388 -8.623 514 3HD1 LEU 65 2HD1 LEU 65 -14.129 -11.626 -7.550 515 1HD2 LEU 65 2HD2 LEU 65 -14.767 -13.032 -10.965 516 2HD2 LEU 65 3HD2 LEU 65 -16.068 -12.042 -10.303 517 3HD2 LEU 65 1HD2 LEU 65 -14.391 -11.525 -10.129 518 H GLU 66 H GLU 66 -17.178 -16.120 -11.486 519 HA GLU 66 HA GLU 66 -15.258 -18.293 -12.053 520 1HB GLU 66 1HB GLU 66 -17.339 -19.013 -10.533 521 2HB GLU 66 2HB GLU 66 -18.141 -19.077 -12.102 522 1HG GLU 66 1HG GLU 66 -16.605 -20.693 -12.936 523 2HG GLU 66 2HG GLU 66 -15.473 -20.411 -11.613 524 H MET 67 H MET 67 -18.518 -17.170 -13.050 525 HA MET 67 HA MET 67 -17.417 -16.828 -15.803 526 1HB MET 67 1HB MET 67 -19.354 -18.764 -14.956 527 2HB MET 67 2HB MET 67 -20.157 -17.588 -15.998 528 1HG MET 67 1HG MET 67 -17.482 -18.692 -16.807 529 2HG MET 67 2HG MET 67 -18.932 -19.661 -17.068 530 1HE MET 67 2HE MET 67 -16.624 -18.222 -18.699 531 2HE MET 67 1HE MET 67 -17.632 -19.031 -19.900 532 3HE MET 67 3HE MET 67 -17.252 -17.318 -20.078 533 H SER 68 H SER 68 -18.475 -15.165 -17.029 534 HA SER 68 HA SER 68 -20.454 -13.512 -15.538 535 1HB SER 68 1HB SER 68 -19.226 -11.522 -15.780 536 2HB SER 68 2HB SER 68 -17.982 -12.696 -15.351 537 HG SER 68 HG SER 68 -17.641 -12.962 -17.636 538 H SER 1 H SER 1 -20.477 10.833 1.935 539 HA SER 1 HA SER 1 -21.339 11.307 -0.821 540 1HB SER 1 1HB SER 1 -19.097 12.050 -1.602 541 2HB SER 1 2HB SER 1 -19.831 13.217 -0.504 542 HG SER 1 HG SER 1 -17.656 11.526 -0.130 543 HA PRO 2 HA PRO 2 -19.971 7.175 -1.312 544 1HB PRO 2 1HB PRO 2 -18.773 7.579 -3.911 545 2HB PRO 2 2HB PRO 2 -20.346 6.866 -3.538 546 1HG PRO 2 1HG PRO 2 -19.813 9.455 -4.692 547 2HG PRO 2 2HG PRO 2 -21.386 8.748 -4.307 548 1HD PRO 2 1HD PRO 2 -20.024 10.889 -2.936 549 2HD PRO 2 2HD PRO 2 -21.603 10.181 -2.551 550 H TYR 3 H TYR 3 -17.701 6.281 -2.789 551 HA TYR 3 HA TYR 3 -15.326 7.764 -2.053 552 1HB TYR 3 1HB TYR 3 -16.478 5.900 -0.113 553 2HB TYR 3 2HB TYR 3 -14.816 5.490 -0.536 554 HD1 TYR 3 HD2 TYR 3 -13.431 7.943 -0.983 555 HD2 TYR 3 HD1 TYR 3 -16.565 7.132 1.874 556 HE1 TYR 3 HE2 TYR 3 -12.613 9.816 0.445 557 HE2 TYR 3 HE1 TYR 3 -15.747 9.004 3.303 558 HH TYR 3 HH TYR 3 -13.094 10.198 3.434 559 H SER 4 H SER 4 -13.333 6.224 -2.324 560 HA SER 4 HA SER 4 -13.875 3.942 -4.128 561 1HB SER 4 1HB SER 4 -13.549 6.336 -5.325 562 2HB SER 4 2HB SER 4 -11.853 5.889 -5.128 563 HG SER 4 HG SER 4 -13.697 4.922 -6.846 564 H SER 5 H SER 5 -11.784 2.753 -4.596 565 HA SER 5 HA SER 5 -9.398 3.400 -3.112 566 1HB SER 5 1HB SER 5 -11.424 2.290 -1.549 567 2HB SER 5 2HB SER 5 -10.376 0.923 -1.926 568 HG SER 5 HG SER 5 -9.729 3.358 -0.659 569 H ASP 6 H ASP 6 -7.780 2.401 -4.187 570 HA ASP 6 HA ASP 6 -8.307 -0.266 -5.426 571 1HB ASP 6 1HB ASP 6 -7.189 0.432 -7.488 572 2HB ASP 6 2HB ASP 6 -8.524 1.532 -7.165 573 H THR 7 H THR 7 -5.651 -0.352 -6.618 574 HA THR 7 HA THR 7 -4.223 -1.063 -4.182 575 HB THR 7 HB THR 7 -4.143 -2.509 -6.195 576 HG1 THR 7 HG1 THR 7 -2.076 -2.994 -5.887 577 1HG2 THR 7 3HG2 THR 7 -4.002 -0.274 -7.652 578 2HG2 THR 7 1HG2 THR 7 -2.273 -0.594 -7.520 579 3HG2 THR 7 2HG2 THR 7 -3.339 -1.799 -8.239 580 H THR 8 H THR 8 -1.789 -0.465 -4.111 581 HA THR 8 HA THR 8 -1.303 2.318 -5.055 582 HB THR 8 HB THR 8 -0.730 1.418 -2.216 583 HG1 THR 8 HG1 THR 8 -2.916 2.794 -3.353 584 1HG2 THR 8 1HG2 THR 8 0.151 3.596 -3.799 585 2HG2 THR 8 2HG2 THR 8 -1.021 4.252 -2.655 586 3HG2 THR 8 3HG2 THR 8 0.386 3.368 -2.065 587 HA PRO 9 HA PRO 9 2.259 -0.254 -6.157 588 1HB PRO 9 1HB PRO 9 3.235 1.975 -7.699 589 2HB PRO 9 2HB PRO 9 2.509 0.479 -8.296 590 1HG PRO 9 2HG PRO 9 1.335 3.126 -8.237 591 2HG PRO 9 1HG PRO 9 0.624 1.640 -8.870 592 1HD PRO 9 2HD PRO 9 -0.080 3.034 -6.482 593 2HD PRO 9 1HD PRO 9 -0.765 1.538 -7.100 594 H CYS 10 H CYS 10 3.547 -0.290 -4.332 595 HA CYS 10 HA CYS 10 5.636 1.712 -4.086 596 1HB CYS 10 2HB CYS 10 5.109 2.197 -1.653 597 2HB CYS 10 1HB CYS 10 4.042 2.957 -2.806 598 H CYS 11 H CYS 11 7.415 0.878 -2.922 599 HA CYS 11 HA CYS 11 7.158 -2.004 -2.466 600 1HB CYS 11 1HB CYS 11 9.617 -1.993 -2.233 601 2HB CYS 11 2HB CYS 11 9.044 -1.352 -3.760 602 H PHE 12 H PHE 12 7.833 -3.055 -0.518 603 HA PHE 12 HA PHE 12 7.342 -1.384 1.883 604 1HB PHE 12 2HB PHE 12 7.057 -3.588 3.034 605 2HB PHE 12 1HB PHE 12 5.939 -3.356 1.714 606 HD1 PHE 12 HD2 PHE 12 8.942 -5.178 2.852 607 HD2 PHE 12 HD1 PHE 12 6.125 -4.627 -0.371 608 HE1 PHE 12 HE2 PHE 12 9.753 -7.280 1.785 609 HE2 PHE 12 HE1 PHE 12 6.925 -6.737 -1.432 610 HZ PHE 12 HZ PHE 12 8.743 -8.060 -0.355 611 H ALA 13 H ALA 13 9.690 -3.803 0.679 612 HA ALA 13 HA ALA 13 11.523 -2.942 2.868 613 1HB ALA 13 1HB ALA 13 11.055 -5.373 2.731 614 2HB ALA 13 2HB ALA 13 11.668 -5.384 1.078 615 3HB ALA 13 3HB ALA 13 12.755 -5.022 2.419 616 H TYR 14 H TYR 14 13.376 -1.906 2.417 617 HA TYR 14 HA TYR 14 13.843 -1.233 -0.414 618 1HB TYR 14 1HB TYR 14 15.734 -0.037 1.456 619 2HB TYR 14 2HB TYR 14 14.680 0.743 0.309 620 HD1 TYR 14 HD2 TYR 14 12.399 1.471 0.942 621 HD2 TYR 14 HD1 TYR 14 15.034 -0.444 3.777 622 HE1 TYR 14 HE2 TYR 14 10.917 2.193 2.809 623 HE2 TYR 14 HE1 TYR 14 13.550 0.280 5.643 624 HH TYR 14 HH TYR 14 11.539 2.590 5.609 625 H ILE 15 H ILE 15 15.418 -2.236 -1.567 626 HA ILE 15 HA ILE 15 16.904 -4.427 -0.630 627 HB ILE 15 HB ILE 15 17.642 -2.508 -2.864 628 1HG1 ILE 15 2HG1 ILE 15 16.063 -5.099 -2.890 629 2HG1 ILE 15 1HG1 ILE 15 15.382 -3.486 -3.097 630 1HG2 ILE 15 1HG2 ILE 15 18.991 -4.795 -1.755 631 2HG2 ILE 15 2HG2 ILE 15 18.433 -5.187 -3.382 632 3HG2 ILE 15 3HG2 ILE 15 19.475 -3.789 -3.120 633 1HD1 ILE 15 2HD1 ILE 15 17.061 -3.235 -5.045 634 2HD1 ILE 15 3HD1 ILE 15 17.245 -4.985 -4.941 635 3HD1 ILE 15 1HD1 ILE 15 15.670 -4.285 -5.310 636 H ALA 16 H ALA 16 18.762 -4.607 0.543 637 HA ALA 16 HA ALA 16 19.951 -2.171 1.653 638 1HB ALA 16 2HB ALA 16 19.602 -4.687 2.630 639 2HB ALA 16 3HB ALA 16 21.284 -4.775 2.106 640 3HB ALA 16 1HB ALA 16 20.786 -3.548 3.271 641 H ARG 17 H ARG 17 20.721 -1.353 -0.464 642 HA ARG 17 HA ARG 17 23.463 -1.619 -0.893 643 1HB ARG 17 2HB ARG 17 21.920 -3.802 -2.095 644 2HB ARG 17 1HB ARG 17 22.918 -2.937 -3.265 645 1HG ARG 17 1HG ARG 17 24.473 -3.284 -0.898 646 2HG ARG 17 2HG ARG 17 23.747 -4.843 -1.292 647 1HD ARG 17 1HD ARG 17 24.520 -4.387 -3.710 648 2HD ARG 17 2HD ARG 17 25.530 -3.119 -3.016 649 HE ARG 17 HE ARG 17 25.819 -5.765 -1.764 650 1HH1 ARG 17 1HH2 ARG 17 27.961 -3.672 -1.712 651 2HH1 ARG 17 2HH2 ARG 17 29.132 -4.463 -2.714 652 1HH2 ARG 17 1HH1 ARG 17 27.021 -6.634 -4.177 653 2HH2 ARG 17 2HH1 ARG 17 28.130 -5.417 -4.716 654 HA PRO 18 HA PRO 18 21.629 1.953 -2.993 655 1HB PRO 18 2HB PRO 18 24.317 2.739 -3.708 656 2HB PRO 18 1HB PRO 18 23.250 3.494 -2.560 657 1HG PRO 18 1HG PRO 18 25.558 1.863 -2.000 658 2HG PRO 18 2HG PRO 18 24.497 2.671 -0.842 659 1HD PRO 18 1HD PRO 18 24.674 -0.127 -1.342 660 2HD PRO 18 2HD PRO 18 23.507 0.688 -0.314 661 H LEU 19 H LEU 19 20.741 1.246 -4.907 662 HA LEU 19 HA LEU 19 22.037 -0.379 -6.850 663 1HB LEU 19 1HB LEU 19 19.864 1.642 -7.457 664 2HB LEU 19 2HB LEU 19 20.206 0.146 -8.319 665 HG LEU 19 HG LEU 19 19.149 0.389 -5.486 666 1HD1 LEU 19 1HD1 LEU 19 17.567 0.780 -7.426 667 2HD1 LEU 19 2HD1 LEU 19 17.901 -0.875 -7.936 668 3HD1 LEU 19 3HD1 LEU 19 17.132 -0.570 -6.378 669 1HD2 LEU 19 2HD2 LEU 19 20.512 -1.788 -6.906 670 2HD2 LEU 19 3HD2 LEU 19 20.163 -1.616 -5.185 671 3HD2 LEU 19 1HD2 LEU 19 18.929 -2.250 -6.277 672 HA PRO 20 HA PRO 20 24.774 2.363 -8.932 673 1HB PRO 20 1HB PRO 20 24.019 1.451 -11.576 674 2HB PRO 20 2HB PRO 20 25.475 1.049 -10.658 675 1HG PRO 20 1HG PRO 20 23.217 -0.654 -11.195 676 2HG PRO 20 2HG PRO 20 24.648 -1.036 -10.230 677 1HD PRO 20 1HD PRO 20 21.960 -0.529 -9.300 678 2HD PRO 20 2HD PRO 20 23.391 -0.937 -8.334 679 H ARG 21 H ARG 21 24.107 4.481 -8.964 680 HA ARG 21 HA ARG 21 21.611 5.510 -9.636 681 1HB ARG 21 1HB ARG 21 23.416 6.835 -8.587 682 2HB ARG 21 2HB ARG 21 24.286 6.854 -10.120 683 1HG ARG 21 1HG ARG 21 21.442 7.771 -10.125 684 2HG ARG 21 2HG ARG 21 22.651 8.848 -9.426 685 1HD ARG 21 2HD ARG 21 23.577 7.690 -11.933 686 2HD ARG 21 1HD ARG 21 22.059 8.563 -12.147 687 HE ARG 21 HE ARG 21 23.829 10.163 -10.574 688 1HH1 ARG 21 1HH2 ARG 21 25.924 9.528 -12.499 689 2HH1 ARG 21 2HH2 ARG 21 25.390 10.111 -14.041 690 1HH2 ARG 21 1HH1 ARG 21 23.109 12.066 -12.580 691 2HH2 ARG 21 2HH1 ARG 21 23.080 11.155 -14.053 692 H ALA 22 H ALA 22 24.326 4.899 -11.865 693 HA ALA 22 HA ALA 22 22.959 6.048 -14.145 694 1HB ALA 22 2HB ALA 22 25.521 5.498 -13.746 695 2HB ALA 22 3HB ALA 22 25.075 3.953 -14.469 696 3HB ALA 22 1HB ALA 22 24.836 5.449 -15.371 697 H HIS 23 H HIS 23 23.158 2.805 -12.764 698 HA HIS 23 HA HIS 23 21.961 1.457 -15.014 699 1HB HIS 23 1HB HIS 23 22.139 0.723 -12.087 700 2HB HIS 23 2HB HIS 23 21.483 -0.340 -13.307 701 HD2 HIS 23 HD2 HIS 23 24.652 1.770 -14.230 702 HE1 HIS 23 HE1 HIS 23 25.854 -2.257 -13.765 703 HE2 HIS 23 HE2 HIS 23 26.601 0.058 -14.513 704 H ILE 24 H ILE 24 20.618 3.266 -12.301 705 HA ILE 24 HA ILE 24 17.933 2.210 -12.733 706 HB ILE 24 HB ILE 24 18.542 4.762 -11.295 707 1HG1 ILE 24 1HG1 ILE 24 18.661 1.981 -10.118 708 2HG1 ILE 24 2HG1 ILE 24 20.060 2.967 -10.458 709 1HG2 ILE 24 3HG2 ILE 24 16.276 2.922 -11.589 710 2HG2 ILE 24 1HG2 ILE 24 16.617 3.366 -9.920 711 3HG2 ILE 24 2HG2 ILE 24 16.289 4.620 -11.116 712 1HD1 ILE 24 1HD1 ILE 24 18.025 4.412 -8.937 713 2HD1 ILE 24 2HD1 ILE 24 18.622 2.987 -8.086 714 3HD1 ILE 24 3HD1 ILE 24 19.750 4.239 -8.610 715 H LYS 25 H LYS 25 16.112 3.744 -13.306 716 HA LYS 25 HA LYS 25 17.029 5.770 -15.304 717 1HB LYS 25 1HB LYS 25 16.125 3.822 -16.475 718 2HB LYS 25 2HB LYS 25 14.672 3.880 -15.510 719 1HG LYS 25 1HG LYS 25 13.905 5.849 -16.532 720 2HG LYS 25 2HG LYS 25 15.514 6.279 -17.112 721 1HD LYS 25 1HD LYS 25 15.356 4.092 -18.508 722 2HD LYS 25 2HD LYS 25 13.626 4.182 -18.179 723 1HE LYS 25 1HE LYS 25 14.857 6.717 -19.076 724 2HE LYS 25 2HE LYS 25 14.845 5.430 -20.282 725 1HZ LYS 25 2HZ LYS 25 12.398 5.167 -19.461 726 2HZ LYS 25 3HZ LYS 25 12.592 6.785 -18.985 727 3HZ LYS 25 1HZ LYS 25 12.799 6.349 -20.613 728 H GLU 26 H GLU 26 14.291 4.796 -13.191 729 HA GLU 26 HA GLU 26 13.804 7.654 -12.629 730 1HB GLU 26 2HB GLU 26 12.156 7.479 -14.216 731 2HB GLU 26 1HB GLU 26 12.144 5.751 -14.160 732 1HG GLU 26 2HG GLU 26 10.057 6.202 -13.378 733 2HG GLU 26 1HG GLU 26 10.891 6.123 -11.869 734 H TYR 27 H TYR 27 12.002 7.644 -10.775 735 HA TYR 27 HA TYR 27 12.266 5.247 -9.080 736 1HB TYR 27 1HB TYR 27 12.867 6.532 -7.122 737 2HB TYR 27 2HB TYR 27 14.011 6.941 -8.375 738 HD1 TYR 27 HD2 TYR 27 13.752 9.104 -9.667 739 HD2 TYR 27 HD1 TYR 27 11.357 8.159 -6.201 740 HE1 TYR 27 HE2 TYR 27 13.105 11.504 -9.458 741 HE2 TYR 27 HE1 TYR 27 10.711 10.557 -5.992 742 HH TYR 27 HH TYR 27 11.611 12.929 -8.458 743 H PHE 28 H PHE 28 10.607 5.634 -7.107 744 HA PHE 28 HA PHE 28 8.391 7.314 -8.044 745 1HB PHE 28 1HB PHE 28 7.925 5.210 -9.155 746 2HB PHE 28 2HB PHE 28 8.141 4.328 -7.648 747 HD1 PHE 28 HD1 PHE 28 5.940 6.656 -9.515 748 HD2 PHE 28 HD2 PHE 28 6.428 4.319 -5.918 749 HE1 PHE 28 HE1 PHE 28 3.543 7.034 -8.942 750 HE2 PHE 28 HE2 PHE 28 4.046 4.726 -5.327 751 HZ PHE 28 HZ PHE 28 2.594 6.065 -6.850 752 H TYR 29 H TYR 29 8.776 8.536 -6.113 753 HA TYR 29 HA TYR 29 8.848 7.313 -3.525 754 1HB TYR 29 2HB TYR 29 9.677 9.588 -3.894 755 2HB TYR 29 1HB TYR 29 8.074 10.125 -4.320 756 HD1 TYR 29 HD2 TYR 29 10.137 8.739 -1.545 757 HD2 TYR 29 HD1 TYR 29 6.459 10.708 -2.654 758 HE1 TYR 29 HE2 TYR 29 9.662 9.203 0.856 759 HE2 TYR 29 HE1 TYR 29 5.985 11.175 -0.253 760 HH TYR 29 HH TYR 29 7.674 9.675 2.289 761 H THR 30 H THR 30 7.243 6.530 -2.344 762 HA THR 30 HA THR 30 4.475 6.708 -3.357 763 HB THR 30 HB THR 30 5.186 4.516 -2.652 764 HG1 THR 30 HG1 THR 30 3.620 4.108 -1.119 765 1HG2 THR 30 3HG2 THR 30 6.090 5.994 -0.185 766 2HG2 THR 30 1HG2 THR 30 5.785 4.257 -0.139 767 3HG2 THR 30 2HG2 THR 30 7.018 4.907 -1.219 768 H SER 31 H SER 31 2.738 6.978 -1.527 769 HA SER 31 HA SER 31 3.390 9.512 -0.143 770 1HB SER 31 1HB SER 31 0.710 8.113 -0.314 771 2HB SER 31 2HB SER 31 1.014 9.802 0.097 772 HG SER 31 HG SER 31 1.690 10.176 -1.983 773 H GLY 32 H GLY 32 1.403 9.236 1.921 774 1HA GLY 32 2HA GLY 32 2.935 7.483 3.762 775 2HA GLY 32 1HA GLY 32 1.825 8.760 4.252 776 H LYS 33 H LYS 33 1.064 6.340 1.805 777 HA LYS 33 HA LYS 33 -0.868 5.114 3.733 778 1HB LYS 33 2HB LYS 33 -2.350 4.768 1.705 779 2HB LYS 33 1HB LYS 33 -2.175 6.432 2.210 780 1HG LYS 33 1HG LYS 33 -0.337 6.691 0.517 781 2HG LYS 33 2HG LYS 33 -0.703 5.064 -0.055 782 1HD LYS 33 2HD LYS 33 -1.854 6.777 -1.418 783 2HD LYS 33 1HD LYS 33 -3.003 5.762 -0.580 784 1HE LYS 33 1HE LYS 33 -3.639 7.443 0.880 785 2HE LYS 33 2HE LYS 33 -2.074 8.250 0.790 786 1HZ LYS 33 2HZ LYS 33 -3.942 8.127 -1.504 787 2HZ LYS 33 3HZ LYS 33 -3.973 9.389 -0.368 788 3HZ LYS 33 1HZ LYS 33 -2.584 9.130 -1.312 789 H CYS 34 H CYS 34 1.831 4.252 3.048 790 HA CYS 34 HA CYS 34 1.164 1.622 1.791 791 1HB CYS 34 2HB CYS 34 2.529 3.199 0.326 792 2HB CYS 34 1HB CYS 34 3.819 3.051 1.516 793 H SER 35 H SER 35 2.061 3.116 4.612 794 HA SER 35 HA SER 35 3.164 2.400 6.555 795 1HB SER 35 1HB SER 35 1.426 0.648 6.375 796 2HB SER 35 2HB SER 35 2.511 -0.315 5.371 797 HG SER 35 HG SER 35 2.491 0.069 8.082 798 H ASN 36 H ASN 36 4.713 2.730 4.005 799 HA ASN 36 HA ASN 36 7.278 1.911 4.954 800 1HB ASN 36 1HB ASN 36 5.800 -0.037 3.312 801 2HB ASN 36 2HB ASN 36 7.410 0.344 2.703 802 1HD2 ASN 36 1HD2 ASN 36 8.680 -0.105 6.108 803 2HD2 ASN 36 2HD2 ASN 36 9.328 -0.116 4.539 804 HA PRO 37 HA PRO 37 6.793 5.169 1.638 805 1HB PRO 37 1HB PRO 37 8.762 6.663 3.159 806 2HB PRO 37 2HB PRO 37 7.082 7.098 2.818 807 1HG PRO 37 2HG PRO 37 8.182 6.205 5.318 808 2HG PRO 37 1HG PRO 37 6.509 6.588 4.969 809 1HD PRO 37 2HD PRO 37 7.664 3.988 5.410 810 2HD PRO 37 1HD PRO 37 5.972 4.374 5.041 811 H ALA 38 H ALA 38 8.503 5.807 0.134 812 HA ALA 38 HA ALA 38 11.260 5.187 0.408 813 1HB ALA 38 1HB ALA 38 9.887 2.821 0.351 814 2HB ALA 38 2HB ALA 38 10.107 3.076 -1.379 815 3HB ALA 38 3HB ALA 38 11.509 2.997 -0.310 816 H VAL 39 H VAL 39 11.723 4.258 -2.245 817 HA VAL 39 HA VAL 39 10.270 6.091 -4.043 818 HB VAL 39 HB VAL 39 12.657 6.752 -4.969 819 1HG1 VAL 39 1HG1 VAL 39 10.725 7.969 -3.311 820 2HG1 VAL 39 2HG1 VAL 39 12.292 8.387 -2.618 821 3HG1 VAL 39 3HG1 VAL 39 11.940 8.774 -4.303 822 1HG2 VAL 39 1HG2 VAL 39 13.828 5.319 -3.265 823 2HG2 VAL 39 2HG2 VAL 39 14.346 7.004 -3.259 824 3HG2 VAL 39 3HG2 VAL 39 13.242 6.416 -2.016 825 H VAL 40 H VAL 40 9.535 4.235 -4.975 826 HA VAL 40 HA VAL 40 11.073 1.935 -5.505 827 HB VAL 40 HB VAL 40 8.449 3.018 -6.302 828 1HG1 VAL 40 3HG1 VAL 40 9.362 2.326 -8.511 829 2HG1 VAL 40 1HG1 VAL 40 9.702 0.731 -7.844 830 3HG1 VAL 40 2HG1 VAL 40 8.036 1.293 -7.984 831 1HG2 VAL 40 1HG2 VAL 40 9.695 0.664 -4.997 832 2HG2 VAL 40 2HG2 VAL 40 8.252 1.572 -4.538 833 3HG2 VAL 40 3HG2 VAL 40 8.165 0.370 -5.826 834 H PHE 41 H PHE 41 12.770 1.739 -6.775 835 HA PHE 41 HA PHE 41 13.312 3.668 -8.872 836 1HB PHE 41 1HB PHE 41 14.714 1.259 -7.774 837 2HB PHE 41 2HB PHE 41 15.207 1.898 -9.322 838 HD1 PHE 41 HD2 PHE 41 14.845 4.824 -8.968 839 HD2 PHE 41 HD1 PHE 41 16.423 1.847 -6.267 840 HE1 PHE 41 HE2 PHE 41 16.231 6.570 -7.849 841 HE2 PHE 41 HE1 PHE 41 17.820 3.585 -5.169 842 HZ PHE 41 HZ PHE 41 17.738 5.946 -5.959 843 H VAL 42 H VAL 42 13.900 2.926 -10.988 844 HA VAL 42 HA VAL 42 12.448 0.581 -12.054 845 HB VAL 42 HB VAL 42 11.915 2.475 -13.967 846 1HG1 VAL 42 2HG2 VAL 42 10.517 0.655 -12.550 847 2HG1 VAL 42 3HG2 VAL 42 9.858 2.136 -11.852 848 3HG1 VAL 42 1HG2 VAL 42 9.736 1.849 -13.589 849 1HG2 VAL 42 3HG1 VAL 42 11.657 3.801 -11.281 850 2HG2 VAL 42 1HG1 VAL 42 12.434 4.404 -12.744 851 3HG2 VAL 42 2HG1 VAL 42 10.680 4.275 -12.668 852 H THR 43 H THR 43 14.746 -0.050 -12.244 853 HA THR 43 HA THR 43 16.575 1.689 -13.727 854 HB THR 43 HB THR 43 18.273 0.167 -13.141 855 HG1 THR 43 HG1 THR 43 17.776 -1.980 -12.547 856 1HG2 THR 43 3HG2 THR 43 17.149 1.251 -11.174 857 2HG2 THR 43 1HG2 THR 43 16.194 -0.217 -10.971 858 3HG2 THR 43 2HG2 THR 43 17.947 -0.271 -10.784 859 H ARG 44 H ARG 44 18.096 -0.340 -15.061 860 HA ARG 44 HA ARG 44 17.121 -0.133 -17.639 861 1HB ARG 44 1HB ARG 44 18.508 -2.263 -18.092 862 2HB ARG 44 2HB ARG 44 19.348 -0.883 -17.441 863 1HG ARG 44 1HG ARG 44 18.424 -2.259 -15.182 864 2HG ARG 44 2HG ARG 44 18.983 -3.518 -16.278 865 1HD ARG 44 1HD ARG 44 20.681 -1.076 -15.869 866 2HD ARG 44 2HD ARG 44 20.682 -2.338 -14.638 867 HE ARG 44 HE ARG 44 21.661 -3.853 -16.242 868 1HH1 ARG 44 1HH1 ARG 44 20.845 -3.630 -18.837 869 2HH1 ARG 44 2HH1 ARG 44 22.158 -2.782 -19.582 870 1HH2 ARG 44 1HH2 ARG 44 22.745 -0.851 -16.751 871 2HH2 ARG 44 2HH2 ARG 44 23.238 -1.155 -18.382 872 H LYS 45 H LYS 45 16.755 -3.089 -15.607 873 HA LYS 45 HA LYS 45 14.818 -4.309 -17.352 874 1HB LYS 45 2HB LYS 45 15.721 -4.690 -14.541 875 2HB LYS 45 1HB LYS 45 14.093 -5.258 -14.910 876 1HG LYS 45 1HG LYS 45 16.228 -5.953 -16.866 877 2HG LYS 45 2HG LYS 45 16.277 -6.783 -15.311 878 1HD LYS 45 1HD LYS 45 14.314 -7.909 -15.697 879 2HD LYS 45 2HD LYS 45 13.618 -6.587 -16.634 880 1HE LYS 45 1HE LYS 45 15.308 -7.155 -18.456 881 2HE LYS 45 2HE LYS 45 15.664 -8.623 -17.546 882 1HZ LYS 45 3HZ LYS 45 12.861 -8.004 -18.109 883 2HZ LYS 45 1HZ LYS 45 13.819 -8.570 -19.393 884 3HZ LYS 45 2HZ LYS 45 13.636 -9.510 -17.990 885 H ASN 46 H ASN 46 14.764 -1.910 -14.847 886 HA ASN 46 HA ASN 46 13.230 -0.292 -14.282 887 1HB ASN 46 2HB ASN 46 12.554 -1.046 -16.959 888 2HB ASN 46 1HB ASN 46 11.057 -0.892 -16.077 889 1HD2 ASN 46 1HD2 ASN 46 11.446 2.508 -17.096 890 2HD2 ASN 46 2HD2 ASN 46 10.389 1.186 -16.952 891 H ARG 47 H ARG 47 12.992 -3.284 -13.501 892 HA ARG 47 HA ARG 47 10.230 -3.717 -12.829 893 1HB ARG 47 2HB ARG 47 12.866 -4.578 -11.665 894 2HB ARG 47 1HB ARG 47 11.408 -4.814 -10.712 895 1HG ARG 47 1HG ARG 47 10.633 -5.740 -13.188 896 2HG ARG 47 2HG ARG 47 12.325 -6.228 -13.127 897 1HD ARG 47 1HD ARG 47 11.969 -7.724 -11.434 898 2HD ARG 47 2HD ARG 47 10.755 -6.708 -10.657 899 HE ARG 47 HE ARG 47 9.446 -7.530 -12.911 900 1HH1 ARG 47 2HH2 ARG 47 10.929 -9.958 -13.323 901 2HH1 ARG 47 1HH2 ARG 47 10.553 -11.022 -12.010 902 1HH2 ARG 47 1HH1 ARG 47 9.270 -9.266 -9.931 903 2HH2 ARG 47 2HH1 ARG 47 8.105 -9.815 -11.090 904 H GLN 48 H GLN 48 9.222 -3.030 -10.679 905 HA GLN 48 HA GLN 48 10.258 -0.372 -10.092 906 1HB GLN 48 1HB GLN 48 7.718 -1.775 -9.607 907 2HB GLN 48 2HB GLN 48 8.167 -0.582 -8.406 908 1HG GLN 48 1HG GLN 48 8.564 1.075 -10.183 909 2HG GLN 48 2HG GLN 48 8.169 -0.122 -11.406 910 1HE2 GLN 48 1HE2 GLN 48 5.525 0.604 -8.524 911 2HE2 GLN 48 2HE2 GLN 48 6.231 2.072 -9.003 912 H VAL 49 H VAL 49 12.182 -1.131 -9.297 913 HA VAL 49 HA VAL 49 12.632 -2.827 -7.115 914 HB VAL 49 HB VAL 49 14.509 -0.598 -7.194 915 1HG1 VAL 49 2HG1 VAL 49 14.586 -3.578 -7.579 916 2HG1 VAL 49 3HG1 VAL 49 16.030 -2.586 -7.780 917 3HG1 VAL 49 1HG1 VAL 49 15.198 -2.630 -6.224 918 1HG2 VAL 49 3HG2 VAL 49 13.846 -2.008 -9.817 919 2HG2 VAL 49 1HG2 VAL 49 13.996 -0.275 -9.545 920 3HG2 VAL 49 2HG2 VAL 49 15.430 -1.298 -9.513 921 H CYS 50 H CYS 50 14.098 -1.310 -5.250 922 HA CYS 50 HA CYS 50 12.078 0.511 -4.023 923 1HB CYS 50 1HB CYS 50 12.184 -2.016 -3.209 924 2HB CYS 50 2HB CYS 50 13.600 -1.450 -2.334 925 H ALA 51 H ALA 51 12.992 2.101 -2.670 926 HA ALA 51 HA ALA 51 15.845 2.025 -2.006 927 1HB ALA 51 2HB ALA 51 14.929 3.460 -4.357 928 2HB ALA 51 3HB ALA 51 15.586 4.576 -3.159 929 3HB ALA 51 1HB ALA 51 16.570 3.240 -3.746 930 H ASN 52 H ASN 52 15.819 2.548 -0.044 931 HA ASN 52 HA ASN 52 13.834 3.543 1.526 932 1HB ASN 52 1HB ASN 52 16.104 2.657 2.149 933 2HB ASN 52 2HB ASN 52 16.759 4.224 1.778 934 1HD2 ASN 52 1HD2 ASN 52 14.315 3.826 5.075 935 2HD2 ASN 52 2HD2 ASN 52 14.155 2.746 3.775 936 HA PRO 53 HA PRO 53 13.336 7.743 0.257 937 1HB PRO 53 1HB PRO 53 11.916 8.583 2.516 938 2HB PRO 53 2HB PRO 53 11.211 7.818 1.105 939 1HG PRO 53 2HG PRO 53 11.622 6.707 3.792 940 2HG PRO 53 1HG PRO 53 10.620 6.088 2.480 941 1HD PRO 53 1HD PRO 53 13.167 5.099 3.329 942 2HD PRO 53 2HD PRO 53 12.216 4.540 1.961 943 H GLU 54 H GLU 54 15.233 6.808 2.926 944 HA GLU 54 HA GLU 54 16.267 9.582 3.159 945 1HB GLU 54 1HB GLU 54 14.474 8.944 4.954 946 2HB GLU 54 2HB GLU 54 15.787 8.012 5.674 947 1HG GLU 54 1HG GLU 54 16.076 10.072 6.723 948 2HG GLU 54 2HG GLU 54 17.152 10.245 5.336 949 H LYS 55 H LYS 55 17.270 6.745 2.265 950 HA LYS 55 HA LYS 55 19.507 6.368 4.151 951 1HB LYS 55 1HB LYS 55 18.518 4.894 1.757 952 2HB LYS 55 2HB LYS 55 20.192 4.706 2.201 953 1HG LYS 55 1HG LYS 55 18.558 4.560 4.566 954 2HG LYS 55 2HG LYS 55 17.958 3.420 3.363 955 1HD LYS 55 1HD LYS 55 19.904 2.178 3.366 956 2HD LYS 55 2HD LYS 55 20.912 3.565 3.780 957 1HE LYS 55 1HE LYS 55 20.662 3.224 6.014 958 2HE LYS 55 2HE LYS 55 18.945 2.852 5.855 959 1HZ LYS 55 2HZ LYS 55 19.701 0.673 4.865 960 2HZ LYS 55 3HZ LYS 55 21.254 1.047 5.446 961 3HZ LYS 55 1HZ LYS 55 19.959 0.870 6.532 962 H LYS 56 H LYS 56 19.545 8.938 2.994 963 HA LYS 56 HA LYS 56 20.940 10.420 1.852 964 1HB LYS 56 1HB LYS 56 22.618 8.280 2.982 965 2HB LYS 56 2HB LYS 56 23.383 9.192 1.681 966 1HG LYS 56 1HG LYS 56 21.962 10.563 3.969 967 2HG LYS 56 2HG LYS 56 23.666 10.120 4.062 968 1HD LYS 56 1HD LYS 56 23.281 11.378 1.547 969 2HD LYS 56 2HD LYS 56 22.472 12.384 2.748 970 1HE LYS 56 1HE LYS 56 24.676 11.997 4.134 971 2HE LYS 56 2HE LYS 56 25.372 11.624 2.558 972 1HZ LYS 56 1HZ LYS 56 24.214 13.807 1.861 973 2HZ LYS 56 2HZ LYS 56 24.215 14.149 3.525 974 3HZ LYS 56 3HZ LYS 56 25.682 13.883 2.711 975 H TRP 57 H TRP 57 22.759 7.672 0.602 976 HA TRP 57 HA TRP 57 23.024 8.483 -2.003 977 1HB TRP 57 1HB TRP 57 23.485 6.211 -2.597 978 2HB TRP 57 2HB TRP 57 24.027 6.427 -0.931 979 HD1 TRP 57 HD1 TRP 57 22.965 4.810 0.809 980 HE1 TRP 57 HE1 TRP 57 21.173 2.957 0.640 981 HE3 TRP 57 HE3 TRP 57 21.247 5.766 -3.852 982 HZ2 TRP 57 HZ2 TRP 57 19.194 2.042 -1.275 983 HZ3 TRP 57 HZ3 TRP 57 19.532 4.366 -4.897 984 HH2 TRP 57 HH2 TRP 57 18.476 2.510 -3.611 985 H VAL 58 H VAL 58 20.160 6.795 -0.749 986 HA VAL 58 HA VAL 58 18.834 6.279 -3.162 987 HB VAL 58 HB VAL 58 16.696 6.898 -1.774 988 1HG1 VAL 58 1HG1 VAL 58 17.586 4.613 -2.291 989 2HG1 VAL 58 2HG1 VAL 58 18.570 4.715 -0.832 990 3HG1 VAL 58 3HG1 VAL 58 16.813 4.711 -0.712 991 1HG2 VAL 58 1HG2 VAL 58 18.669 7.902 -0.071 992 2HG2 VAL 58 2HG2 VAL 58 16.982 7.609 0.344 993 3HG2 VAL 58 3HG2 VAL 58 18.199 6.373 0.652 994 H ARG 59 H ARG 59 18.466 9.299 -1.249 995 HA ARG 59 HA ARG 59 16.983 10.620 -3.324 996 1HB ARG 59 2HB ARG 59 18.512 11.670 -0.929 997 2HB ARG 59 1HB ARG 59 17.561 12.702 -1.997 998 1HG ARG 59 1HG ARG 59 15.538 11.498 -1.460 999 2HG ARG 59 2HG ARG 59 16.430 10.275 -0.588 1000 1HD ARG 59 1HD ARG 59 15.796 11.575 1.204 1001 2HD ARG 59 2HD ARG 59 17.280 12.425 0.772 1002 HE ARG 59 HE ARG 59 15.870 14.079 -0.431 1003 1HH1 ARG 59 1HH2 ARG 59 14.245 12.250 2.225 1004 2HH1 ARG 59 2HH2 ARG 59 13.874 13.895 2.622 1005 1HH2 ARG 59 1HH1 ARG 59 13.462 14.205 -0.977 1006 2HH2 ARG 59 2HH1 ARG 59 12.488 14.294 0.452 1007 H GLU 60 H GLU 60 20.387 10.242 -2.615 1008 HA GLU 60 HA GLU 60 21.442 12.363 -4.182 1009 1HB GLU 60 1HB GLU 60 22.512 9.608 -3.554 1010 2HB GLU 60 2HB GLU 60 23.434 10.788 -4.452 1011 1HG GLU 60 2HG GLU 60 22.203 11.550 -1.821 1012 2HG GLU 60 1HG GLU 60 23.726 10.661 -1.853 1013 H TYR 61 H TYR 61 19.830 9.435 -5.084 1014 HA TYR 61 HA TYR 61 20.704 9.777 -7.913 1015 1HB TYR 61 1HB TYR 61 19.168 7.481 -6.656 1016 2HB TYR 61 2HB TYR 61 19.824 7.530 -8.290 1017 HD1 TYR 61 HD2 TYR 61 22.412 9.141 -7.096 1018 HD2 TYR 61 HD1 TYR 61 20.479 5.357 -6.307 1019 HE1 TYR 61 HE2 TYR 61 24.572 8.206 -6.278 1020 HE2 TYR 61 HE1 TYR 61 22.646 4.421 -5.508 1021 HH TYR 61 HH TYR 61 25.284 5.135 -6.067 1022 H ILE 62 H ILE 62 17.966 9.944 -5.738 1023 HA ILE 62 HA ILE 62 15.846 9.927 -7.632 1024 HB ILE 62 HB ILE 62 16.151 11.416 -5.006 1025 1HG1 ILE 62 1HG1 ILE 62 14.520 8.953 -5.665 1026 2HG1 ILE 62 2HG1 ILE 62 16.172 8.870 -5.057 1027 1HG2 ILE 62 3HG2 ILE 62 14.171 11.749 -7.045 1028 2HG2 ILE 62 1HG2 ILE 62 13.421 10.919 -5.683 1029 3HG2 ILE 62 2HG2 ILE 62 14.214 12.474 -5.437 1030 1HD1 ILE 62 2HD1 ILE 62 15.046 10.629 -3.289 1031 2HD1 ILE 62 3HD1 ILE 62 13.676 9.578 -3.643 1032 3HD1 ILE 62 1HD1 ILE 62 15.172 8.891 -3.008 1033 H ASN 63 H ASN 63 18.194 12.396 -6.790 1034 HA ASN 63 HA ASN 63 16.789 14.357 -8.534 1035 1HB ASN 63 1HB ASN 63 17.605 15.056 -6.254 1036 2HB ASN 63 2HB ASN 63 19.239 14.781 -6.807 1037 1HD2 ASN 63 2HD2 ASN 63 18.286 18.033 -6.580 1038 2HD2 ASN 63 1HD2 ASN 63 16.761 17.605 -7.190 1039 H SER 64 H SER 64 19.934 12.733 -8.138 1040 HA SER 64 HA SER 64 21.305 13.908 -10.303 1041 1HB SER 64 2HB SER 64 21.440 11.205 -9.005 1042 2HB SER 64 1HB SER 64 22.400 11.529 -10.428 1043 HG SER 64 HG SER 64 23.399 13.202 -9.370 1044 H LEU 65 H LEU 65 18.652 11.663 -10.311 1045 HA LEU 65 HA LEU 65 18.999 10.479 -12.873 1046 1HB LEU 65 1HB LEU 65 16.613 11.083 -11.156 1047 2HB LEU 65 2HB LEU 65 16.371 10.501 -12.785 1048 HG LEU 65 HG LEU 65 18.318 9.073 -11.008 1049 1HD1 LEU 65 3HD1 LEU 65 16.061 9.452 -9.817 1050 2HD1 LEU 65 1HD1 LEU 65 15.375 8.396 -11.051 1051 3HD1 LEU 65 2HD1 LEU 65 16.621 7.787 -9.962 1052 1HD2 LEU 65 2HD2 LEU 65 17.022 8.695 -13.577 1053 2HD2 LEU 65 3HD2 LEU 65 18.368 7.802 -12.871 1054 3HD2 LEU 65 1HD2 LEU 65 16.709 7.324 -12.514 1055 H GLU 66 H GLU 66 19.378 11.668 -14.688 1056 HA GLU 66 HA GLU 66 17.414 13.748 -15.425 1057 1HB GLU 66 1HB GLU 66 19.587 14.664 -14.166 1058 2HB GLU 66 2HB GLU 66 20.282 14.503 -15.779 1059 1HG GLU 66 1HG GLU 66 18.685 15.993 -16.727 1060 2HG GLU 66 2HG GLU 66 17.647 15.906 -15.304 1061 H MET 67 H MET 67 20.603 12.481 -16.472 1062 HA MET 67 HA MET 67 19.322 11.759 -19.069 1063 1HB MET 67 1HB MET 67 21.302 13.786 -18.635 1064 2HB MET 67 2HB MET 67 22.039 12.472 -19.553 1065 1HG MET 67 1HG MET 67 19.310 13.462 -20.328 1066 2HG MET 67 2HG MET 67 20.735 14.379 -20.819 1067 1HE MET 67 2HE MET 67 18.330 12.733 -22.073 1068 2HE MET 67 1HE MET 67 19.249 13.360 -23.440 1069 3HE MET 67 3HE MET 67 18.869 11.642 -23.348 1070 H SER 68 H SER 68 20.305 9.937 -20.118 1071 HA SER 68 HA SER 68 22.387 8.500 -18.545 1072 1HB SER 68 1HB SER 68 21.156 6.502 -18.420 1073 2HB SER 68 2HB SER 68 19.937 7.730 -18.078 1074 HG SER 68 HG SER 68 19.441 7.671 -20.350 No H/Q in entry = 1074 Start of MODEL 7 1 H SER 1 H SER 1 20.209 -14.415 2.305 2 HA SER 1 HA SER 1 17.545 -15.561 2.547 3 1HB SER 1 1HB SER 1 18.036 -12.722 3.496 4 2HB SER 1 2HB SER 1 16.441 -13.401 3.170 5 HG SER 1 HG SER 1 16.561 -14.589 4.918 6 HA PRO 2 HA PRO 2 17.362 -14.222 -1.621 7 1HB PRO 2 1HB PRO 2 14.588 -13.440 -1.550 8 2HB PRO 2 2HB PRO 2 15.275 -14.943 -2.180 9 1HG PRO 2 1HG PRO 2 13.749 -14.572 0.245 10 2HG PRO 2 2HG PRO 2 14.426 -16.076 -0.389 11 1HD PRO 2 1HD PRO 2 15.336 -14.542 1.878 12 2HD PRO 2 2HD PRO 2 16.017 -16.050 1.241 13 H TYR 3 H TYR 3 18.090 -12.284 -2.393 14 HA TYR 3 HA TYR 3 17.673 -9.821 -0.910 15 1HB TYR 3 1HB TYR 3 18.897 -10.354 -3.634 16 2HB TYR 3 2HB TYR 3 18.914 -8.786 -2.829 17 HD1 TYR 3 HD1 TYR 3 20.111 -8.506 -0.634 18 HD2 TYR 3 HD2 TYR 3 20.379 -12.132 -2.965 19 HE1 TYR 3 HE1 TYR 3 22.121 -9.195 0.670 20 HE2 TYR 3 HE2 TYR 3 22.389 -12.821 -1.661 21 HH TYR 3 HH TYR 3 24.015 -10.647 0.505 22 H SER 4 H SER 4 15.341 -9.614 -0.958 23 HA SER 4 HA SER 4 14.257 -8.877 -3.647 24 1HB SER 4 1HB SER 4 13.212 -10.848 -2.382 25 2HB SER 4 2HB SER 4 12.610 -9.652 -1.234 26 HG SER 4 HG SER 4 11.026 -9.600 -2.636 27 H SER 5 H SER 5 13.384 -6.843 -3.885 28 HA SER 5 HA SER 5 12.490 -5.220 -1.669 29 1HB SER 5 1HB SER 5 14.297 -3.453 -1.977 30 2HB SER 5 2HB SER 5 14.818 -4.925 -1.157 31 HG SER 5 HG SER 5 16.286 -4.353 -2.778 32 H ASP 6 H ASP 6 10.739 -4.469 -2.818 33 HA ASP 6 HA ASP 6 11.135 -2.544 -4.929 34 1HB ASP 6 2HB ASP 6 10.184 -3.791 -6.789 35 2HB ASP 6 1HB ASP 6 11.565 -4.686 -6.164 36 H THR 7 H THR 7 8.499 -3.140 -6.164 37 HA THR 7 HA THR 7 6.927 -1.698 -4.245 38 HB THR 7 HB THR 7 6.643 -1.430 -6.687 39 HG1 THR 7 HG1 THR 7 4.245 -2.552 -5.753 40 1HG2 THR 7 1HG2 THR 7 5.627 -4.281 -6.510 41 2HG2 THR 7 2HG2 THR 7 5.421 -3.243 -7.920 42 3HG2 THR 7 3HG2 THR 7 7.039 -3.717 -7.403 43 H THR 8 H THR 8 4.564 -2.576 -3.845 44 HA THR 8 HA THR 8 4.447 -5.480 -3.381 45 HB THR 8 HB THR 8 4.228 -3.516 -1.075 46 HG1 THR 8 HG1 THR 8 6.339 -3.718 -1.346 47 1HG2 THR 8 1HG2 THR 8 3.900 -6.503 -1.363 48 2HG2 THR 8 2HG2 THR 8 4.315 -5.776 0.188 49 3HG2 THR 8 3HG2 THR 8 2.803 -5.346 -0.610 50 HA PRO 9 HA PRO 9 0.426 -3.987 -4.785 51 1HB PRO 9 1HB PRO 9 -0.470 -6.741 -4.519 52 2HB PRO 9 2HB PRO 9 -0.224 -5.804 -5.998 53 1HG PRO 9 2HG PRO 9 1.442 -7.917 -4.964 54 2HG PRO 9 1HG PRO 9 1.716 -6.948 -6.412 55 1HD PRO 9 1HD PRO 9 3.153 -6.848 -3.946 56 2HD PRO 9 2HD PRO 9 3.392 -5.841 -5.385 57 H CYS 10 H CYS 10 -0.190 -2.887 -2.881 58 HA CYS 10 HA CYS 10 -1.599 -4.571 -0.859 59 1HB CYS 10 1HB CYS 10 0.725 -3.492 -0.218 60 2HB CYS 10 2HB CYS 10 -0.226 -2.041 -0.043 61 H CYS 11 H CYS 11 -3.408 -3.607 0.101 62 HA CYS 11 HA CYS 11 -4.339 -1.205 -1.365 63 1HB CYS 11 2HB CYS 11 -6.330 -2.179 -1.739 64 2HB CYS 11 1HB CYS 11 -5.574 -3.685 -1.257 65 H PHE 12 H PHE 12 -5.060 0.569 -0.139 66 HA PHE 12 HA PHE 12 -4.501 0.331 2.777 67 1HB PHE 12 2HB PHE 12 -3.725 2.243 0.912 68 2HB PHE 12 1HB PHE 12 -5.024 3.024 1.783 69 HD1 PHE 12 HD1 PHE 12 -2.156 0.723 2.583 70 HD2 PHE 12 HD2 PHE 12 -4.372 4.269 3.656 71 HE1 PHE 12 HE1 PHE 12 -0.697 1.030 4.584 72 HE2 PHE 12 HE2 PHE 12 -2.904 4.586 5.647 73 HZ PHE 12 HZ PHE 12 -1.070 2.963 6.113 74 H ALA 13 H ALA 13 -6.840 2.042 0.660 75 HA ALA 13 HA ALA 13 -8.780 1.969 2.904 76 1HB ALA 13 3HB ALA 13 -8.484 3.579 0.405 77 2HB ALA 13 1HB ALA 13 -10.112 3.334 1.039 78 3HB ALA 13 2HB ALA 13 -8.883 4.110 2.038 79 H TYR 14 H TYR 14 -10.124 0.291 3.007 80 HA TYR 14 HA TYR 14 -11.002 -0.893 0.435 81 1HB TYR 14 1HB TYR 14 -11.455 -2.978 1.944 82 2HB TYR 14 2HB TYR 14 -9.816 -2.666 1.383 83 HD1 TYR 14 HD1 TYR 14 -12.118 -2.567 4.259 84 HD2 TYR 14 HD2 TYR 14 -8.087 -1.826 2.909 85 HE1 TYR 14 HE1 TYR 14 -11.383 -2.271 6.615 86 HE2 TYR 14 HE2 TYR 14 -7.354 -1.528 5.260 87 HH TYR 14 HH TYR 14 -8.172 -1.113 7.421 88 H ILE 15 H ILE 15 -13.025 0.022 0.137 89 HA ILE 15 HA ILE 15 -15.220 -0.826 1.740 90 HB ILE 15 HB ILE 15 -14.271 0.669 3.459 91 1HG1 ILE 15 2HG1 ILE 15 -16.643 2.118 2.317 92 2HG1 ILE 15 1HG1 ILE 15 -16.817 0.485 2.915 93 1HG2 ILE 15 1HG2 ILE 15 -13.616 2.255 1.234 94 2HG2 ILE 15 2HG2 ILE 15 -14.826 3.181 2.121 95 3HG2 ILE 15 3HG2 ILE 15 -13.350 2.656 2.930 96 1HD1 ILE 15 2HD1 ILE 15 -15.856 1.192 5.092 97 2HD1 ILE 15 3HD1 ILE 15 -15.747 2.844 4.485 98 3HD1 ILE 15 1HD1 ILE 15 -17.325 2.086 4.701 99 H ALA 16 H ALA 16 -16.987 -0.608 0.454 100 HA ALA 16 HA ALA 16 -17.765 1.694 -0.973 101 1HB ALA 16 1HB ALA 16 -15.616 0.249 -2.251 102 2HB ALA 16 2HB ALA 16 -17.064 0.183 -3.257 103 3HB ALA 16 3HB ALA 16 -16.401 1.742 -2.764 104 H ARG 17 H ARG 17 -18.899 -0.594 0.482 105 HA ARG 17 HA ARG 17 -20.835 -1.886 0.344 106 1HB ARG 17 2HB ARG 17 -21.200 -0.887 -2.484 107 2HB ARG 17 1HB ARG 17 -22.439 -1.388 -1.333 108 1HG ARG 17 1HG ARG 17 -21.371 0.604 0.099 109 2HG ARG 17 2HG ARG 17 -20.938 1.188 -1.508 110 1HD ARG 17 1HD ARG 17 -23.040 1.975 -1.711 111 2HD ARG 17 2HD ARG 17 -23.604 0.304 -1.721 112 HE ARG 17 HE ARG 17 -23.193 1.649 0.900 113 1HH1 ARG 17 2HH2 ARG 17 -24.748 -1.003 -0.189 114 2HH1 ARG 17 1HH2 ARG 17 -26.345 -0.347 -0.345 115 1HH2 ARG 17 1HH1 ARG 17 -25.452 2.266 1.729 116 2HH2 ARG 17 2HH1 ARG 17 -26.711 1.826 0.625 117 HA PRO 18 HA PRO 18 -19.126 -5.557 -1.367 118 1HB PRO 18 2HB PRO 18 -21.782 -6.661 -1.804 119 2HB PRO 18 1HB PRO 18 -20.570 -7.157 -0.656 120 1HG PRO 18 2HG PRO 18 -22.955 -5.722 -0.070 121 2HG PRO 18 1HG PRO 18 -21.631 -6.079 1.046 122 1HD PRO 18 2HD PRO 18 -22.336 -3.531 -0.070 123 2HD PRO 18 1HD PRO 18 -21.042 -3.896 1.056 124 H LEU 19 H LEU 19 -18.318 -4.898 -3.323 125 HA LEU 19 HA LEU 19 -19.526 -3.825 -5.548 126 1HB LEU 19 1HB LEU 19 -17.377 -5.948 -5.516 127 2HB LEU 19 2HB LEU 19 -17.732 -4.915 -6.879 128 HG LEU 19 HG LEU 19 -16.810 -4.003 -4.142 129 1HD1 LEU 19 3HD1 LEU 19 -15.363 -4.955 -6.368 130 2HD1 LEU 19 1HD1 LEU 19 -15.183 -3.201 -6.392 131 3HD1 LEU 19 2HD1 LEU 19 -14.716 -4.116 -4.959 132 1HD2 LEU 19 3HD2 LEU 19 -17.951 -2.590 -6.496 133 2HD2 LEU 19 1HD2 LEU 19 -18.014 -2.161 -4.786 134 3HD2 LEU 19 2HD2 LEU 19 -16.555 -1.837 -5.724 135 HA PRO 20 HA PRO 20 -22.469 -7.029 -6.674 136 1HB PRO 20 1HB PRO 20 -22.862 -5.778 -9.242 137 2HB PRO 20 2HB PRO 20 -23.941 -5.739 -7.843 138 1HG PRO 20 1HG PRO 20 -22.312 -3.593 -8.875 139 2HG PRO 20 2HG PRO 20 -23.385 -3.558 -7.472 140 1HD PRO 20 1HD PRO 20 -20.499 -3.582 -7.498 141 2HD PRO 20 2HD PRO 20 -21.576 -3.528 -6.091 142 H ARG 21 H ARG 21 -22.459 -8.794 -8.236 143 HA ARG 21 HA ARG 21 -19.811 -9.407 -9.251 144 1HB ARG 21 2HB ARG 21 -21.325 -11.165 -8.412 145 2HB ARG 21 1HB ARG 21 -22.448 -10.827 -9.706 146 1HG ARG 21 1HG ARG 21 -21.137 -11.835 -11.300 147 2HG ARG 21 2HG ARG 21 -19.635 -11.364 -10.504 148 1HD ARG 21 2HD ARG 21 -19.505 -13.350 -9.448 149 2HD ARG 21 1HD ARG 21 -21.144 -13.175 -8.822 150 HE ARG 21 HE ARG 21 -20.366 -14.748 -11.142 151 1HH1 ARG 21 1HH2 ARG 21 -23.245 -13.180 -9.562 152 2HH1 ARG 21 2HH2 ARG 21 -23.720 -14.844 -9.626 153 1HH2 ARG 21 2HH1 ARG 21 -22.077 -15.102 -12.738 154 2HH2 ARG 21 1HH1 ARG 21 -23.640 -14.445 -12.384 155 H ALA 22 H ALA 22 -22.520 -7.753 -10.583 156 HA ALA 22 HA ALA 22 -21.738 -8.375 -13.356 157 1HB ALA 22 1HB ALA 22 -23.939 -6.739 -12.104 158 2HB ALA 22 2HB ALA 22 -23.596 -6.632 -13.829 159 3HB ALA 22 3HB ALA 22 -24.081 -8.172 -13.121 160 H HIS 23 H HIS 23 -20.396 -6.436 -11.096 161 HA HIS 23 HA HIS 23 -19.697 -4.376 -13.146 162 1HB HIS 23 2HB HIS 23 -19.709 -3.962 -10.145 163 2HB HIS 23 1HB HIS 23 -19.465 -2.737 -11.389 164 HD2 HIS 23 HD2 HIS 23 -22.462 -5.368 -11.090 165 HE1 HIS 23 HE1 HIS 23 -24.034 -1.465 -11.480 166 HE2 HIS 23 HE2 HIS 23 -24.628 -3.932 -11.303 167 H ILE 24 H ILE 24 -18.518 -6.904 -11.169 168 HA ILE 24 HA ILE 24 -15.797 -5.715 -11.156 169 HB ILE 24 HB ILE 24 -16.601 -8.328 -9.906 170 1HG1 ILE 24 1HG1 ILE 24 -16.545 -5.584 -8.645 171 2HG1 ILE 24 2HG1 ILE 24 -17.970 -6.543 -8.936 172 1HG2 ILE 24 2HG2 ILE 24 -14.241 -6.470 -9.677 173 2HG2 ILE 24 3HG2 ILE 24 -14.581 -7.694 -8.456 174 3HG2 ILE 24 1HG2 ILE 24 -14.245 -8.175 -10.117 175 1HD1 ILE 24 1HD1 ILE 24 -16.247 -8.266 -7.566 176 2HD1 ILE 24 2HD1 ILE 24 -16.080 -6.715 -6.745 177 3HD1 ILE 24 3HD1 ILE 24 -17.669 -7.463 -6.902 178 H LYS 25 H LYS 25 -13.980 -7.160 -11.784 179 HA LYS 25 HA LYS 25 -14.774 -8.925 -14.062 180 1HB LYS 25 1HB LYS 25 -12.977 -6.787 -13.997 181 2HB LYS 25 2HB LYS 25 -11.947 -8.218 -13.937 182 1HG LYS 25 1HG LYS 25 -12.215 -8.110 -16.217 183 2HG LYS 25 2HG LYS 25 -13.681 -9.015 -15.840 184 1HD LYS 25 1HD LYS 25 -15.038 -7.259 -16.350 185 2HD LYS 25 2HD LYS 25 -13.957 -6.085 -15.600 186 1HE LYS 25 1HE LYS 25 -12.410 -6.657 -17.666 187 2HE LYS 25 2HE LYS 25 -13.930 -7.174 -18.396 188 1HZ LYS 25 2HZ LYS 25 -14.846 -4.969 -17.734 189 2HZ LYS 25 3HZ LYS 25 -13.272 -4.497 -17.303 190 3HZ LYS 25 1HZ LYS 25 -13.628 -4.897 -18.915 191 H GLU 26 H GLU 26 -11.809 -8.720 -12.060 192 HA GLU 26 HA GLU 26 -12.170 -11.580 -11.392 193 1HB GLU 26 2HB GLU 26 -10.300 -10.688 -13.054 194 2HB GLU 26 1HB GLU 26 -9.488 -10.259 -11.550 195 1HG GLU 26 1HG GLU 26 -8.981 -12.369 -11.139 196 2HG GLU 26 2HG GLU 26 -10.642 -12.886 -11.371 197 H TYR 27 H TYR 27 -9.675 -11.283 -9.684 198 HA TYR 27 HA TYR 27 -10.324 -9.277 -7.710 199 1HB TYR 27 1HB TYR 27 -10.762 -10.867 -5.870 200 2HB TYR 27 2HB TYR 27 -11.993 -11.010 -7.128 201 HD1 TYR 27 HD2 TYR 27 -11.772 -12.868 -8.866 202 HD2 TYR 27 HD1 TYR 27 -9.342 -12.700 -5.299 203 HE1 TYR 27 HE2 TYR 27 -11.189 -15.275 -9.149 204 HE2 TYR 27 HE1 TYR 27 -8.759 -15.108 -5.584 205 HH TYR 27 HH TYR 27 -10.374 -17.207 -7.280 206 H PHE 28 H PHE 28 -8.694 -9.823 -5.686 207 HA PHE 28 HA PHE 28 -6.403 -11.380 -6.561 208 1HB PHE 28 2HB PHE 28 -6.031 -9.402 -7.920 209 2HB PHE 28 1HB PHE 28 -6.233 -8.361 -6.534 210 HD1 PHE 28 HD1 PHE 28 -4.005 -10.809 -8.185 211 HD2 PHE 28 HD2 PHE 28 -4.486 -8.112 -4.848 212 HE1 PHE 28 HE1 PHE 28 -1.577 -11.022 -7.661 213 HE2 PHE 28 HE2 PHE 28 -2.066 -8.338 -4.314 214 HZ PHE 28 HZ PHE 28 -0.606 -9.789 -5.723 215 H TYR 29 H TYR 29 -6.564 -12.374 -4.486 216 HA TYR 29 HA TYR 29 -6.741 -10.947 -2.020 217 1HB TYR 29 2HB TYR 29 -7.150 -13.351 -2.128 218 2HB TYR 29 1HB TYR 29 -5.483 -13.635 -2.616 219 HD1 TYR 29 HD2 TYR 29 -7.425 -11.919 0.117 220 HD2 TYR 29 HD1 TYR 29 -3.918 -14.191 -0.969 221 HE1 TYR 29 HE2 TYR 29 -6.728 -11.989 2.509 222 HE2 TYR 29 HE1 TYR 29 -3.220 -14.257 1.422 223 HH TYR 29 HH TYR 29 -3.989 -13.941 3.576 224 H THR 30 H THR 30 -5.243 -9.845 -0.911 225 HA THR 30 HA THR 30 -2.724 -9.136 -2.071 226 HB THR 30 HB THR 30 -2.245 -8.062 0.090 227 HG1 THR 30 HG1 THR 30 -2.974 -9.117 1.740 228 1HG2 THR 30 3HG2 THR 30 -4.852 -7.803 -1.297 229 2HG2 THR 30 1HG2 THR 30 -4.759 -7.043 0.292 230 3HG2 THR 30 2HG2 THR 30 -3.622 -6.580 -0.975 231 H SER 31 H SER 31 -0.683 -9.402 -0.399 232 HA SER 31 HA SER 31 -0.346 -12.353 -0.166 233 1HB SER 31 1HB SER 31 1.993 -11.995 -0.396 234 2HB SER 31 2HB SER 31 1.254 -10.884 -1.548 235 HG SER 31 HG SER 31 2.945 -10.090 0.017 236 H GLY 32 H GLY 32 1.934 -12.132 1.634 237 1HA GLY 32 1HA GLY 32 0.507 -11.313 4.129 238 2HA GLY 32 2HA GLY 32 1.518 -12.734 4.048 239 H LYS 33 H LYS 33 2.626 -9.995 2.275 240 HA LYS 33 HA LYS 33 4.827 -9.653 4.243 241 1HB LYS 33 2HB LYS 33 4.492 -9.214 1.323 242 2HB LYS 33 1HB LYS 33 5.523 -8.076 2.155 243 1HG LYS 33 2HG LYS 33 6.748 -10.047 3.157 244 2HG LYS 33 1HG LYS 33 5.812 -11.084 2.079 245 1HD LYS 33 2HD LYS 33 6.673 -9.754 0.143 246 2HD LYS 33 1HD LYS 33 7.678 -8.847 1.247 247 1HE LYS 33 1HE LYS 33 7.876 -11.803 1.425 248 2HE LYS 33 2HE LYS 33 8.546 -11.058 -0.025 249 1HZ LYS 33 2HZ LYS 33 9.193 -10.240 2.754 250 2HZ LYS 33 3HZ LYS 33 10.170 -11.236 1.785 251 3HZ LYS 33 1HZ LYS 33 9.889 -9.623 1.333 252 H CYS 34 H CYS 34 2.661 -7.646 2.249 253 HA CYS 34 HA CYS 34 3.251 -5.163 3.482 254 1HB CYS 34 1HB CYS 34 2.006 -5.411 1.360 255 2HB CYS 34 2HB CYS 34 0.644 -6.093 2.248 256 H SER 35 H SER 35 1.944 -3.938 5.019 257 HA SER 35 HA SER 35 0.832 -5.690 7.142 258 1HB SER 35 1HB SER 35 0.942 -2.784 7.628 259 2HB SER 35 2HB SER 35 1.538 -4.114 8.622 260 HG SER 35 HG SER 35 3.409 -3.475 7.927 261 H ASN 36 H ASN 36 -0.905 -5.750 5.135 262 HA ASN 36 HA ASN 36 -3.267 -4.450 6.200 263 1HB ASN 36 1HB ASN 36 -1.747 -2.994 4.267 264 2HB ASN 36 2HB ASN 36 -3.228 -3.512 3.503 265 1HD2 ASN 36 2HD2 ASN 36 -3.203 -0.928 6.657 266 2HD2 ASN 36 1HD2 ASN 36 -2.027 -0.954 5.433 267 HA PRO 37 HA PRO 37 -3.630 -8.424 3.754 268 1HB PRO 37 1HB PRO 37 -5.500 -9.250 5.809 269 2HB PRO 37 2HB PRO 37 -3.937 -9.968 5.402 270 1HG PRO 37 2HG PRO 37 -4.590 -8.383 7.715 271 2HG PRO 37 1HG PRO 37 -3.015 -9.063 7.284 272 1HD PRO 37 2HD PRO 37 -3.835 -6.297 7.194 273 2HD PRO 37 1HD PRO 37 -2.255 -6.979 6.760 274 H ALA 38 H ALA 38 -5.444 -8.895 2.428 275 HA ALA 38 HA ALA 38 -8.119 -8.084 2.910 276 1HB ALA 38 3HB ALA 38 -6.486 -5.872 2.440 277 2HB ALA 38 1HB ALA 38 -7.232 -6.182 0.874 278 3HB ALA 38 2HB ALA 38 -8.243 -5.909 2.294 279 H VAL 39 H VAL 39 -8.803 -7.279 0.277 280 HA VAL 39 HA VAL 39 -7.720 -9.370 -1.489 281 HB VAL 39 HB VAL 39 -10.009 -9.831 0.006 282 1HG1 VAL 39 1HG1 VAL 39 -11.106 -8.108 -1.589 283 2HG1 VAL 39 2HG1 VAL 39 -11.043 -9.415 -2.772 284 3HG1 VAL 39 3HG1 VAL 39 -11.937 -9.627 -1.265 285 1HG2 VAL 39 3HG2 VAL 39 -8.705 -11.017 -2.354 286 2HG2 VAL 39 1HG2 VAL 39 -9.132 -11.745 -0.802 287 3HG2 VAL 39 2HG2 VAL 39 -10.363 -11.537 -2.051 288 H VAL 40 H VAL 40 -8.117 -8.735 -3.734 289 HA VAL 40 HA VAL 40 -9.118 -5.935 -3.863 290 HB VAL 40 HB VAL 40 -6.633 -7.069 -5.143 291 1HG1 VAL 40 1HG1 VAL 40 -8.254 -5.101 -6.247 292 2HG1 VAL 40 2HG1 VAL 40 -7.081 -4.180 -5.314 293 3HG1 VAL 40 3HG1 VAL 40 -6.535 -5.305 -6.554 294 1HG2 VAL 40 1HG2 VAL 40 -6.561 -6.467 -2.737 295 2HG2 VAL 40 2HG2 VAL 40 -5.540 -5.412 -3.716 296 3HG2 VAL 40 3HG2 VAL 40 -7.114 -4.844 -3.151 297 H PHE 41 H PHE 41 -10.794 -5.753 -5.145 298 HA PHE 41 HA PHE 41 -11.219 -7.699 -7.285 299 1HB PHE 41 2HB PHE 41 -12.858 -5.461 -6.112 300 2HB PHE 41 1HB PHE 41 -13.342 -6.240 -7.595 301 HD1 PHE 41 HD1 PHE 41 -13.002 -9.008 -7.382 302 HD2 PHE 41 HD2 PHE 41 -13.935 -6.238 -4.207 303 HE1 PHE 41 HE1 PHE 41 -14.037 -10.859 -6.072 304 HE2 PHE 41 HE2 PHE 41 -14.963 -8.087 -2.900 305 HZ PHE 41 HZ PHE 41 -15.029 -10.396 -3.830 306 H VAL 42 H VAL 42 -10.946 -7.346 -9.351 307 HA VAL 42 HA VAL 42 -9.901 -4.677 -10.196 308 HB VAL 42 HB VAL 42 -9.578 -6.299 -12.360 309 1HG1 VAL 42 2HG2 VAL 42 -7.966 -4.769 -11.111 310 2HG1 VAL 42 3HG2 VAL 42 -7.587 -6.164 -10.101 311 3HG1 VAL 42 1HG2 VAL 42 -7.248 -6.210 -11.832 312 1HG2 VAL 42 2HG1 VAL 42 -10.335 -8.269 -10.929 313 2HG2 VAL 42 3HG1 VAL 42 -8.782 -8.453 -11.741 314 3HG2 VAL 42 1HG1 VAL 42 -8.838 -8.053 -10.025 315 H THR 43 H THR 43 -12.155 -3.880 -10.152 316 HA THR 43 HA THR 43 -14.222 -5.187 -11.703 317 HB THR 43 HB THR 43 -15.684 -3.554 -10.872 318 HG1 THR 43 HG1 THR 43 -14.749 -1.525 -10.074 319 1HG2 THR 43 1HG2 THR 43 -13.801 -4.672 -9.118 320 2HG2 THR 43 2HG2 THR 43 -13.915 -2.978 -8.644 321 3HG2 THR 43 3HG2 THR 43 -15.364 -3.981 -8.686 322 H ARG 44 H ARG 44 -15.579 -2.971 -12.791 323 HA ARG 44 HA ARG 44 -14.842 -3.060 -15.440 324 1HB ARG 44 2HB ARG 44 -15.946 -0.681 -15.556 325 2HB ARG 44 1HB ARG 44 -16.918 -2.060 -15.113 326 1HG ARG 44 1HG ARG 44 -17.401 -1.123 -13.125 327 2HG ARG 44 2HG ARG 44 -15.688 -1.005 -12.736 328 1HD ARG 44 1HD ARG 44 -15.876 1.232 -12.919 329 2HD ARG 44 2HD ARG 44 -16.157 1.010 -14.645 330 HE ARG 44 HE ARG 44 -18.633 0.776 -13.977 331 1HH1 ARG 44 2HH1 ARG 44 -16.978 1.804 -11.133 332 2HH1 ARG 44 1HH1 ARG 44 -18.558 2.386 -10.727 333 1HH2 ARG 44 1HH2 ARG 44 -19.666 3.259 -13.515 334 2HH2 ARG 44 2HH2 ARG 44 -18.232 4.159 -13.150 335 H LYS 45 H LYS 45 -14.081 -0.193 -13.392 336 HA LYS 45 HA LYS 45 -12.183 0.935 -15.199 337 1HB LYS 45 1HB LYS 45 -13.079 1.531 -12.610 338 2HB LYS 45 2HB LYS 45 -11.368 1.238 -12.420 339 1HG LYS 45 1HG LYS 45 -12.487 3.046 -14.569 340 2HG LYS 45 2HG LYS 45 -11.997 3.637 -12.982 341 1HD LYS 45 1HD LYS 45 -9.943 3.868 -13.928 342 2HD LYS 45 2HD LYS 45 -9.823 2.122 -13.713 343 1HE LYS 45 1HE LYS 45 -10.119 1.697 -15.941 344 2HE LYS 45 2HE LYS 45 -11.270 3.018 -16.143 345 1HZ LYS 45 2HZ LYS 45 -8.552 3.814 -15.530 346 2HZ LYS 45 3HZ LYS 45 -8.762 3.080 -17.046 347 3HZ LYS 45 1HZ LYS 45 -9.654 4.469 -16.644 348 H ASN 46 H ASN 46 -12.082 -1.655 -12.923 349 HA ASN 46 HA ASN 46 -10.668 -3.425 -12.643 350 1HB ASN 46 1HB ASN 46 -10.045 -2.421 -15.307 351 2HB ASN 46 2HB ASN 46 -8.621 -3.076 -14.542 352 1HD2 ASN 46 1HD2 ASN 46 -10.790 -5.669 -16.309 353 2HD2 ASN 46 2HD2 ASN 46 -9.520 -4.605 -16.679 354 H ARG 47 H ARG 47 -9.946 -0.401 -11.861 355 HA ARG 47 HA ARG 47 -7.107 -0.519 -11.356 356 1HB ARG 47 1HB ARG 47 -9.315 0.791 -9.722 357 2HB ARG 47 2HB ARG 47 -7.589 1.074 -9.496 358 1HG ARG 47 1HG ARG 47 -7.394 2.297 -11.450 359 2HG ARG 47 2HG ARG 47 -8.725 1.447 -12.238 360 1HD ARG 47 1HD ARG 47 -10.271 2.911 -11.451 361 2HD ARG 47 2HD ARG 47 -9.537 2.957 -9.847 362 HE ARG 47 HE ARG 47 -7.978 4.383 -11.860 363 1HH1 ARG 47 2HH2 ARG 47 -8.786 5.283 -8.712 364 2HH1 ARG 47 1HH2 ARG 47 -8.185 6.704 -9.499 365 1HH2 ARG 47 1HH1 ARG 47 -10.759 5.638 -11.883 366 2HH2 ARG 47 2HH1 ARG 47 -10.264 7.065 -11.035 367 H GLN 48 H GLN 48 -6.249 -1.166 -9.057 368 HA GLN 48 HA GLN 48 -7.612 -3.667 -8.453 369 1HB GLN 48 2HB GLN 48 -4.943 -2.538 -7.901 370 2HB GLN 48 1HB GLN 48 -5.579 -3.637 -6.672 371 1HG GLN 48 2HG GLN 48 -6.054 -5.309 -8.400 372 2HG GLN 48 1HG GLN 48 -5.543 -4.217 -9.649 373 1HE2 GLN 48 1HE2 GLN 48 -2.155 -4.124 -8.254 374 2HE2 GLN 48 2HE2 GLN 48 -3.009 -3.710 -9.660 375 H VAL 49 H VAL 49 -9.482 -2.750 -7.742 376 HA VAL 49 HA VAL 49 -9.709 -0.957 -5.530 377 HB VAL 49 HB VAL 49 -11.921 -2.840 -6.092 378 1HG1 VAL 49 2HG1 VAL 49 -11.651 0.158 -5.838 379 2HG1 VAL 49 3HG1 VAL 49 -13.182 -0.705 -5.994 380 3HG1 VAL 49 1HG1 VAL 49 -12.174 -0.951 -4.566 381 1HG2 VAL 49 1HG2 VAL 49 -10.805 -0.924 -8.160 382 2HG2 VAL 49 2HG2 VAL 49 -11.298 -2.598 -8.407 383 3HG2 VAL 49 3HG2 VAL 49 -12.514 -1.347 -8.141 384 H CYS 50 H CYS 50 -10.550 -1.565 -3.365 385 HA CYS 50 HA CYS 50 -9.646 -4.306 -2.613 386 1HB CYS 50 1HB CYS 50 -8.783 -1.950 -1.573 387 2HB CYS 50 2HB CYS 50 -10.098 -2.319 -0.484 388 H ALA 51 H ALA 51 -10.881 -4.675 -0.238 389 HA ALA 51 HA ALA 51 -13.527 -3.805 0.098 390 1HB ALA 51 3HB ALA 51 -13.195 -5.874 -1.995 391 2HB ALA 51 1HB ALA 51 -14.464 -6.192 -0.816 392 3HB ALA 51 2HB ALA 51 -14.497 -4.708 -1.765 393 H ASN 52 H ASN 52 -11.204 -4.826 1.606 394 HA ASN 52 HA ASN 52 -10.911 -6.007 3.601 395 1HB ASN 52 1HB ASN 52 -13.227 -5.086 4.015 396 2HB ASN 52 2HB ASN 52 -13.872 -6.588 3.354 397 1HD2 ASN 52 2HD2 ASN 52 -12.684 -6.192 7.112 398 2HD2 ASN 52 1HD2 ASN 52 -11.496 -5.616 6.044 399 HA PRO 53 HA PRO 53 -10.531 -10.097 1.971 400 1HB PRO 53 2HB PRO 53 -9.201 -11.224 4.053 401 2HB PRO 53 1HB PRO 53 -8.436 -10.123 2.938 402 1HG PRO 53 1HG PRO 53 -9.261 -9.614 5.749 403 2HG PRO 53 2HG PRO 53 -8.008 -8.826 4.807 404 1HD PRO 53 1HD PRO 53 -10.617 -7.813 5.328 405 2HD PRO 53 2HD PRO 53 -9.443 -7.140 4.203 406 H GLU 54 H GLU 54 -11.445 -9.870 5.446 407 HA GLU 54 HA GLU 54 -13.088 -12.335 5.122 408 1HB GLU 54 1HB GLU 54 -12.312 -10.913 7.681 409 2HB GLU 54 2HB GLU 54 -13.029 -12.517 7.536 410 1HG GLU 54 1HG GLU 54 -11.032 -13.479 7.074 411 2HG GLU 54 2HG GLU 54 -10.594 -12.207 5.934 412 H LYS 55 H LYS 55 -14.224 -10.008 4.012 413 HA LYS 55 HA LYS 55 -16.208 -9.063 6.004 414 1HB LYS 55 1HB LYS 55 -15.100 -8.006 3.551 415 2HB LYS 55 2HB LYS 55 -16.844 -7.987 3.495 416 1HG LYS 55 1HG LYS 55 -15.540 -7.083 6.020 417 2HG LYS 55 2HG LYS 55 -15.453 -6.003 4.628 418 1HD LYS 55 1HD LYS 55 -18.007 -6.438 4.410 419 2HD LYS 55 2HD LYS 55 -17.896 -7.021 6.071 420 1HE LYS 55 1HE LYS 55 -16.822 -4.852 6.710 421 2HE LYS 55 2HE LYS 55 -17.091 -4.275 5.065 422 1HZ LYS 55 3HZ LYS 55 -19.350 -5.368 6.591 423 2HZ LYS 55 1HZ LYS 55 -18.821 -3.787 6.918 424 3HZ LYS 55 2HZ LYS 55 -19.346 -4.202 5.357 425 H LYS 56 H LYS 56 -16.157 -11.855 4.983 426 HA LYS 56 HA LYS 56 -17.707 -13.479 4.368 427 1HB LYS 56 1HB LYS 56 -19.612 -11.161 4.771 428 2HB LYS 56 2HB LYS 56 -20.125 -12.822 4.485 429 1HG LYS 56 1HG LYS 56 -19.962 -13.140 6.713 430 2HG LYS 56 2HG LYS 56 -18.214 -13.026 6.517 431 1HD LYS 56 1HD LYS 56 -18.147 -11.003 7.523 432 2HD LYS 56 2HD LYS 56 -19.485 -10.397 6.548 433 1HE LYS 56 1HE LYS 56 -21.094 -11.093 8.079 434 2HE LYS 56 2HE LYS 56 -20.062 -12.362 8.739 435 1HZ LYS 56 3HZ LYS 56 -18.606 -10.345 9.448 436 2HZ LYS 56 1HZ LYS 56 -20.063 -9.483 9.308 437 3HZ LYS 56 2HZ LYS 56 -19.953 -10.795 10.380 438 H TRP 57 H TRP 57 -19.617 -10.928 2.850 439 HA TRP 57 HA TRP 57 -20.050 -12.184 0.431 440 1HB TRP 57 1HB TRP 57 -20.580 -10.025 -0.505 441 2HB TRP 57 2HB TRP 57 -21.124 -10.069 1.174 442 HD1 TRP 57 HD1 TRP 57 -20.088 -8.270 2.764 443 HE1 TRP 57 HE1 TRP 57 -18.559 -6.243 2.299 444 HE3 TRP 57 HE3 TRP 57 -18.465 -9.525 -1.860 445 HZ2 TRP 57 HZ2 TRP 57 -16.780 -5.321 0.212 446 HZ3 TRP 57 HZ3 TRP 57 -16.958 -8.058 -3.124 447 HH2 TRP 57 HH2 TRP 57 -16.081 -5.966 -2.090 448 H VAL 58 H VAL 58 -17.208 -10.138 1.139 449 HA VAL 58 HA VAL 58 -16.064 -10.102 -1.426 450 HB VAL 58 HB VAL 58 -13.813 -10.401 -0.065 451 1HG1 VAL 58 2HG1 VAL 58 -15.156 -8.312 -1.013 452 2HG1 VAL 58 3HG1 VAL 58 -15.321 -7.962 0.705 453 3HG1 VAL 58 1HG1 VAL 58 -13.719 -8.120 -0.018 454 1HG2 VAL 58 3HG2 VAL 58 -15.588 -11.014 1.921 455 2HG2 VAL 58 1HG2 VAL 58 -13.931 -10.470 2.168 456 3HG2 VAL 58 2HG2 VAL 58 -15.258 -9.312 2.217 457 H ARG 59 H ARG 59 -15.665 -12.670 1.038 458 HA ARG 59 HA ARG 59 -14.050 -14.343 -0.653 459 1HB ARG 59 2HB ARG 59 -15.606 -14.750 1.875 460 2HB ARG 59 1HB ARG 59 -15.034 -16.153 1.007 461 1HG ARG 59 2HG ARG 59 -12.746 -14.893 0.960 462 2HG ARG 59 1HG ARG 59 -13.436 -13.947 2.279 463 1HD ARG 59 1HD ARG 59 -13.342 -16.976 2.267 464 2HD ARG 59 2HD ARG 59 -12.109 -15.968 3.024 465 HE ARG 59 HE ARG 59 -14.837 -15.373 3.909 466 1HH1 ARG 59 1HH2 ARG 59 -11.761 -15.860 5.375 467 2HH1 ARG 59 2HH2 ARG 59 -12.838 -15.657 6.716 468 1HH2 ARG 59 2HH1 ARG 59 -15.172 -17.464 5.887 469 2HH2 ARG 59 1HH1 ARG 59 -13.821 -18.427 5.390 470 H GLU 60 H GLU 60 -17.512 -13.996 -0.123 471 HA GLU 60 HA GLU 60 -18.305 -16.319 -1.644 472 1HB GLU 60 1HB GLU 60 -19.760 -13.763 -0.941 473 2HB GLU 60 2HB GLU 60 -20.516 -15.094 -1.780 474 1HG GLU 60 2HG GLU 60 -19.160 -16.179 0.469 475 2HG GLU 60 1HG GLU 60 -20.071 -14.799 1.031 476 H TYR 61 H TYR 61 -16.989 -13.294 -2.500 477 HA TYR 61 HA TYR 61 -18.095 -13.339 -5.242 478 1HB TYR 61 1HB TYR 61 -16.720 -11.368 -3.508 479 2HB TYR 61 2HB TYR 61 -16.286 -11.299 -5.198 480 HD1 TYR 61 HD1 TYR 61 -19.181 -11.243 -2.844 481 HD2 TYR 61 HD2 TYR 61 -17.768 -10.399 -6.831 482 HE1 TYR 61 HE1 TYR 61 -21.304 -10.042 -3.336 483 HE2 TYR 61 HE2 TYR 61 -19.889 -9.196 -7.325 484 HH TYR 61 HH TYR 61 -22.403 -9.397 -6.304 485 H ILE 62 H ILE 62 -15.181 -13.956 -3.403 486 HA ILE 62 HA ILE 62 -13.321 -14.080 -5.568 487 HB ILE 62 HB ILE 62 -13.388 -15.523 -2.899 488 1HG1 ILE 62 1HG1 ILE 62 -11.767 -13.131 -3.813 489 2HG1 ILE 62 2HG1 ILE 62 -13.276 -13.002 -2.912 490 1HG2 ILE 62 1HG2 ILE 62 -11.669 -15.891 -5.187 491 2HG2 ILE 62 2HG2 ILE 62 -10.742 -15.230 -3.840 492 3HG2 ILE 62 3HG2 ILE 62 -11.643 -16.731 -3.637 493 1HD1 ILE 62 3HD1 ILE 62 -11.907 -14.814 -1.388 494 2HD1 ILE 62 1HD1 ILE 62 -10.588 -13.805 -1.983 495 3HD1 ILE 62 2HD1 ILE 62 -11.919 -13.076 -1.083 496 H ASN 63 H ASN 63 -15.720 -16.344 -4.363 497 HA ASN 63 HA ASN 63 -14.682 -18.511 -6.082 498 1HB ASN 63 1HB ASN 63 -17.002 -18.336 -4.153 499 2HB ASN 63 2HB ASN 63 -16.700 -19.743 -5.141 500 1HD2 ASN 63 2HD2 ASN 63 -14.680 -18.633 -1.888 501 2HD2 ASN 63 1HD2 ASN 63 -16.184 -19.419 -1.926 502 H SER 64 H SER 64 -17.332 -16.190 -5.960 503 HA SER 64 HA SER 64 -18.946 -17.322 -8.027 504 1HB SER 64 2HB SER 64 -19.161 -15.141 -6.383 505 2HB SER 64 1HB SER 64 -18.824 -14.373 -7.936 506 HG SER 64 HG SER 64 -21.085 -14.818 -7.482 507 H LEU 65 H LEU 65 -15.999 -15.427 -8.111 508 HA LEU 65 HA LEU 65 -16.228 -14.871 -10.984 509 1HB LEU 65 1HB LEU 65 -13.882 -14.543 -9.087 510 2HB LEU 65 2HB LEU 65 -13.964 -13.915 -10.733 511 HG LEU 65 HG LEU 65 -16.201 -13.210 -8.889 512 1HD1 LEU 65 3HD1 LEU 65 -13.647 -12.902 -7.933 513 2HD1 LEU 65 1HD1 LEU 65 -13.900 -11.368 -8.766 514 3HD1 LEU 65 2HD1 LEU 65 -15.007 -11.872 -7.489 515 1HD2 LEU 65 3HD2 LEU 65 -15.035 -12.339 -11.397 516 2HD2 LEU 65 1HD2 LEU 65 -16.600 -11.925 -10.698 517 3HD2 LEU 65 2HD2 LEU 65 -15.168 -10.988 -10.271 518 H GLU 66 H GLU 66 -14.172 -16.935 -8.909 519 HA GLU 66 HA GLU 66 -13.076 -18.287 -11.285 520 1HB GLU 66 1HB GLU 66 -11.772 -17.782 -9.131 521 2HB GLU 66 2HB GLU 66 -12.687 -19.101 -8.400 522 1HG GLU 66 1HG GLU 66 -11.696 -20.719 -9.755 523 2HG GLU 66 2HG GLU 66 -11.304 -19.558 -11.025 524 H MET 67 H MET 67 -13.790 -20.242 -12.056 525 HA MET 67 HA MET 67 -15.105 -22.176 -12.248 526 1HB MET 67 1HB MET 67 -14.105 -22.280 -9.724 527 2HB MET 67 2HB MET 67 -15.832 -22.222 -9.374 528 1HG MET 67 1HG MET 67 -15.214 -24.547 -9.609 529 2HG MET 67 2HG MET 67 -16.144 -24.097 -11.039 530 1HE MET 67 1HE MET 67 -13.439 -25.839 -9.672 531 2HE MET 67 3HE MET 67 -14.192 -26.716 -11.003 532 3HE MET 67 2HE MET 67 -12.473 -26.329 -11.064 533 H SER 68 H SER 68 -16.642 -20.634 -13.315 534 HA SER 68 HA SER 68 -19.256 -20.758 -11.958 535 1HB SER 68 1HB SER 68 -19.724 -18.411 -12.087 536 2HB SER 68 2HB SER 68 -18.152 -18.558 -11.298 537 HG SER 68 HG SER 68 -18.195 -16.989 -12.992 538 H SER 1 H SER 1 -16.974 12.061 1.742 539 HA SER 1 HA SER 1 -14.305 13.218 1.640 540 1HB SER 1 1HB SER 1 -14.716 10.540 3.004 541 2HB SER 1 2HB SER 1 -13.150 11.161 2.480 542 HG SER 1 HG SER 1 -13.157 12.579 4.051 543 HA PRO 2 HA PRO 2 -14.400 11.315 -2.305 544 1HB PRO 2 1HB PRO 2 -11.624 10.539 -2.318 545 2HB PRO 2 2HB PRO 2 -12.359 11.943 -3.099 546 1HG PRO 2 1HG PRO 2 -10.670 11.904 -0.757 547 2HG PRO 2 2HG PRO 2 -11.397 13.308 -1.545 548 1HD PRO 2 1HD PRO 2 -12.141 12.106 0.970 549 2HD PRO 2 2HD PRO 2 -12.873 13.516 0.178 550 H TYR 3 H TYR 3 -15.170 9.292 -2.750 551 HA TYR 3 HA TYR 3 -14.640 7.056 -0.974 552 1HB TYR 3 1HB TYR 3 -16.050 7.213 -3.654 553 2HB TYR 3 2HB TYR 3 -16.003 5.770 -2.641 554 HD1 TYR 3 HD1 TYR 3 -17.047 5.803 -0.352 555 HD2 TYR 3 HD2 TYR 3 -17.491 9.073 -3.138 556 HE1 TYR 3 HE1 TYR 3 -18.966 6.674 0.977 557 HE2 TYR 3 HE2 TYR 3 -19.410 9.944 -1.808 558 HH TYR 3 HH TYR 3 -20.875 8.098 0.744 559 H SER 4 H SER 4 -12.316 6.834 -1.151 560 HA SER 4 HA SER 4 -11.415 5.728 -3.781 561 1HB SER 4 1HB SER 4 -10.295 7.850 -2.875 562 2HB SER 4 2HB SER 4 -9.610 6.822 -1.616 563 HG SER 4 HG SER 4 -8.126 6.569 -3.102 564 H SER 5 H SER 5 -10.552 3.677 -3.794 565 HA SER 5 HA SER 5 -9.498 2.372 -1.442 566 1HB SER 5 1HB SER 5 -11.313 0.587 -1.378 567 2HB SER 5 2HB SER 5 -11.784 2.160 -0.736 568 HG SER 5 HG SER 5 -13.357 1.376 -2.157 569 H ASP 6 H ASP 6 -7.826 1.460 -2.592 570 HA ASP 6 HA ASP 6 -8.357 -0.736 -4.386 571 1HB ASP 6 2HB ASP 6 -7.540 0.237 -6.461 572 2HB ASP 6 1HB ASP 6 -8.880 1.218 -5.873 573 H THR 7 H THR 7 -5.813 -0.328 -5.868 574 HA THR 7 HA THR 7 -4.107 -1.498 -3.880 575 HB THR 7 HB THR 7 -3.987 -2.103 -6.274 576 HG1 THR 7 HG1 THR 7 -1.538 -0.873 -5.670 577 1HG2 THR 7 1HG2 THR 7 -2.976 0.741 -6.563 578 2HG2 THR 7 2HG2 THR 7 -2.863 -0.483 -7.827 579 3HG2 THR 7 3HG2 THR 7 -4.444 0.065 -7.271 580 H THR 8 H THR 8 -1.726 -0.583 -3.767 581 HA THR 8 HA THR 8 -1.592 2.355 -3.717 582 HB THR 8 HB THR 8 -1.206 0.729 -1.183 583 HG1 THR 8 HG1 THR 8 -3.332 0.900 -1.335 584 1HG2 THR 8 1HG2 THR 8 -0.914 3.646 -1.903 585 2HG2 THR 8 2HG2 THR 8 -1.218 3.142 -0.241 586 3HG2 THR 8 3HG2 THR 8 0.238 2.598 -1.073 587 HA PRO 9 HA PRO 9 2.332 0.664 -5.174 588 1HB PRO 9 1HB PRO 9 3.230 3.425 -5.353 589 2HB PRO 9 2HB PRO 9 2.887 2.294 -6.668 590 1HG PRO 9 2HG PRO 9 1.286 4.537 -5.824 591 2HG PRO 9 1HG PRO 9 0.918 3.377 -7.102 592 1HD PRO 9 1HD PRO 9 -0.347 3.628 -4.554 593 2HD PRO 9 2HD PRO 9 -0.678 2.431 -5.822 594 H CYS 10 H CYS 10 3.081 -0.164 -3.183 595 HA CYS 10 HA CYS 10 4.616 1.778 -1.513 596 1HB CYS 10 2HB CYS 10 2.347 0.807 -0.573 597 2HB CYS 10 1HB CYS 10 3.317 -0.609 -0.264 598 H CYS 11 H CYS 11 6.492 0.944 -0.553 599 HA CYS 11 HA CYS 11 7.332 -1.640 -1.736 600 1HB CYS 11 2HB CYS 11 9.289 -0.737 -2.377 601 2HB CYS 11 1HB CYS 11 8.559 0.825 -2.058 602 H PHE 12 H PHE 12 8.140 -3.233 -0.328 603 HA PHE 12 HA PHE 12 7.784 -2.594 2.559 604 1HB PHE 12 1HB PHE 12 6.904 -4.754 1.031 605 2HB PHE 12 2HB PHE 12 8.263 -5.399 1.922 606 HD1 PHE 12 HD1 PHE 12 5.439 -2.997 2.577 607 HD2 PHE 12 HD2 PHE 12 7.736 -6.371 3.983 608 HE1 PHE 12 HE1 PHE 12 4.120 -3.013 4.693 609 HE2 PHE 12 HE2 PHE 12 6.405 -6.400 6.091 610 HZ PHE 12 HZ PHE 12 4.601 -4.717 6.449 611 H ALA 13 H ALA 13 9.984 -4.590 0.543 612 HA ALA 13 HA ALA 13 12.072 -4.210 2.616 613 1HB ALA 13 3HB ALA 13 11.617 -6.150 0.391 614 2HB ALA 13 1HB ALA 13 13.283 -5.825 0.873 615 3HB ALA 13 2HB ALA 13 12.129 -6.451 2.051 616 H TYR 14 H TYR 14 13.412 -2.539 2.394 617 HA TYR 14 HA TYR 14 14.106 -1.725 -0.372 618 1HB TYR 14 1HB TYR 14 14.647 0.548 0.799 619 2HB TYR 14 2HB TYR 14 12.975 0.165 0.402 620 HD1 TYR 14 HD1 TYR 14 15.472 0.457 3.098 621 HD2 TYR 14 HD2 TYR 14 11.361 -0.451 2.144 622 HE1 TYR 14 HE1 TYR 14 14.900 0.491 5.518 623 HE2 TYR 14 HE2 TYR 14 10.793 -0.418 4.558 624 HH TYR 14 HH TYR 14 11.758 -0.532 6.694 625 H ILE 15 H ILE 15 16.107 -2.683 -0.677 626 HA ILE 15 HA ILE 15 18.403 -1.631 0.641 627 HB ILE 15 HB ILE 15 17.582 -2.869 2.610 628 1HG1 ILE 15 1HG1 ILE 15 19.876 -4.473 1.520 629 2HG1 ILE 15 2HG1 ILE 15 20.083 -2.775 1.874 630 1HG2 ILE 15 1HG2 ILE 15 16.783 -4.745 0.675 631 2HG2 ILE 15 2HG2 ILE 15 18.054 -5.546 1.597 632 3HG2 ILE 15 3HG2 ILE 15 16.635 -4.906 2.425 633 1HD1 ILE 15 2HD1 ILE 15 19.276 -3.171 4.189 634 2HD1 ILE 15 3HD1 ILE 15 19.133 -4.890 3.823 635 3HD1 ILE 15 1HD1 ILE 15 20.719 -4.118 3.825 636 H ALA 16 H ALA 16 20.079 -2.031 -0.723 637 HA ALA 16 HA ALA 16 20.766 -4.516 -1.864 638 1HB ALA 16 1HB ALA 16 18.531 -3.249 -3.181 639 2HB ALA 16 2HB ALA 16 19.906 -3.329 -4.283 640 3HB ALA 16 3HB ALA 16 19.287 -4.802 -3.537 641 H ARG 17 H ARG 17 21.986 -2.033 -0.832 642 HA ARG 17 HA ARG 17 23.909 -0.803 -1.277 643 1HB ARG 17 2HB ARG 17 24.083 -2.187 -3.956 644 2HB ARG 17 1HB ARG 17 25.395 -1.539 -2.973 645 1HG ARG 17 1HG ARG 17 24.433 -3.305 -1.208 646 2HG ARG 17 2HG ARG 17 23.895 -4.106 -2.684 647 1HD ARG 17 1HD ARG 17 25.982 -4.923 -2.915 648 2HD ARG 17 2HD ARG 17 26.537 -3.274 -3.198 649 HE ARG 17 HE ARG 17 26.310 -4.236 -0.393 650 1HH1 ARG 17 2HH2 ARG 17 27.775 -1.768 -1.942 651 2HH1 ARG 17 1HH2 ARG 17 29.360 -2.446 -2.115 652 1HH2 ARG 17 1HH1 ARG 17 28.623 -4.743 0.357 653 2HH2 ARG 17 2HH1 ARG 17 29.803 -4.465 -0.880 654 HA PRO 18 HA PRO 18 22.064 2.609 -3.346 655 1HB PRO 18 1HB PRO 18 24.693 3.587 -4.110 656 2HB PRO 18 2HB PRO 18 23.558 4.290 -2.996 657 1HG PRO 18 2HG PRO 18 25.961 2.936 -2.319 658 2HG PRO 18 1HG PRO 18 24.694 3.450 -1.199 659 1HD PRO 18 1HD PRO 18 25.355 0.767 -1.988 660 2HD PRO 18 2HD PRO 18 24.128 1.287 -0.849 661 H LEU 19 H LEU 19 21.124 1.685 -5.134 662 HA LEU 19 HA LEU 19 22.181 0.311 -7.268 663 1HB LEU 19 2HB LEU 19 20.030 2.429 -7.374 664 2HB LEU 19 1HB LEU 19 20.295 1.223 -8.609 665 HG LEU 19 HG LEU 19 19.568 0.688 -5.717 666 1HD1 LEU 19 3HD1 LEU 19 17.970 1.332 -7.951 667 2HD1 LEU 19 1HD1 LEU 19 17.798 -0.407 -7.721 668 3HD1 LEU 19 2HD1 LEU 19 17.423 0.698 -6.399 669 1HD2 LEU 19 3HD2 LEU 19 20.555 -1.034 -7.932 670 2HD2 LEU 19 1HD2 LEU 19 20.740 -1.227 -6.188 671 3HD2 LEU 19 2HD2 LEU 19 19.221 -1.672 -6.969 672 HA PRO 20 HA PRO 20 25.025 3.315 -9.025 673 1HB PRO 20 1HB PRO 20 25.249 1.719 -11.415 674 2HB PRO 20 2HB PRO 20 26.421 1.869 -10.101 675 1HG PRO 20 1HG PRO 20 24.735 -0.392 -10.713 676 2HG PRO 20 2HG PRO 20 25.902 -0.238 -9.395 677 1HD PRO 20 1HD PRO 20 23.020 -0.205 -9.226 678 2HD PRO 20 2HD PRO 20 24.192 -0.068 -7.902 679 H ARG 21 H ARG 21 24.896 4.849 -10.808 680 HA ARG 21 HA ARG 21 22.183 5.325 -11.719 681 1HB ARG 21 1HB ARG 21 23.741 7.176 -11.235 682 2HB ARG 21 2HB ARG 21 24.777 6.656 -12.542 683 1HG ARG 21 1HG ARG 21 23.358 7.439 -14.169 684 2HG ARG 21 2HG ARG 21 21.915 7.091 -13.217 685 1HD ARG 21 2HD ARG 21 21.848 9.204 -12.439 686 2HD ARG 21 1HD ARG 21 23.527 9.110 -11.908 687 HE ARG 21 HE ARG 21 22.585 10.351 -14.365 688 1HH1 ARG 21 1HH2 ARG 21 25.573 9.002 -12.782 689 2HH1 ARG 21 2HH2 ARG 21 26.034 10.640 -13.108 690 1HH2 ARG 21 2HH1 ARG 21 24.182 10.472 -16.108 691 2HH2 ARG 21 1HH1 ARG 21 25.769 9.864 -15.773 692 H ALA 22 H ALA 22 24.806 3.491 -12.989 693 HA ALA 22 HA ALA 22 23.837 3.729 -15.763 694 1HB ALA 22 1HB ALA 22 26.127 2.272 -14.448 695 2HB ALA 22 2HB ALA 22 25.668 1.928 -16.116 696 3HB ALA 22 3HB ALA 22 26.190 3.550 -15.660 697 H HIS 23 H HIS 23 22.663 2.121 -13.171 698 HA HIS 23 HA HIS 23 21.838 -0.199 -14.867 699 1HB HIS 23 2HB HIS 23 22.054 -0.195 -11.846 700 2HB HIS 23 1HB HIS 23 21.734 -1.578 -12.889 701 HD2 HIS 23 HD2 HIS 23 24.729 1.058 -13.159 702 HE1 HIS 23 HE1 HIS 23 26.293 -2.869 -13.112 703 HE2 HIS 23 HE2 HIS 23 26.883 -0.402 -13.319 704 H ILE 24 H ILE 24 20.783 2.583 -13.188 705 HA ILE 24 HA ILE 24 18.076 1.418 -12.823 706 HB ILE 24 HB ILE 24 18.962 4.169 -11.997 707 1HG1 ILE 24 2HG1 ILE 24 18.978 1.624 -10.369 708 2HG1 ILE 24 1HG1 ILE 24 20.393 2.500 -10.892 709 1HG2 ILE 24 2HG2 ILE 24 16.622 2.382 -11.356 710 2HG2 ILE 24 3HG2 ILE 24 17.046 3.759 -10.341 711 3HG2 ILE 24 1HG2 ILE 24 16.596 4.011 -12.027 712 1HD1 ILE 24 1HD1 ILE 24 18.775 4.432 -9.663 713 2HD1 ILE 24 2HD1 ILE 24 18.664 3.016 -8.619 714 3HD1 ILE 24 3HD1 ILE 24 20.240 3.713 -8.992 715 H LYS 25 H LYS 25 16.212 2.774 -13.513 716 HA LYS 25 HA LYS 25 16.838 4.206 -16.061 717 1HB LYS 25 1HB LYS 25 15.059 2.106 -15.580 718 2HB LYS 25 2HB LYS 25 14.029 3.536 -15.647 719 1HG LYS 25 1HG LYS 25 14.142 3.113 -17.903 720 2HG LYS 25 2HG LYS 25 15.627 4.054 -17.755 721 1HD LYS 25 1HD LYS 25 16.953 2.238 -18.111 722 2HD LYS 25 2HD LYS 25 15.931 1.185 -17.132 723 1HE LYS 25 1HE LYS 25 14.243 1.472 -19.147 724 2HE LYS 25 2HE LYS 25 15.708 1.876 -20.044 725 1HZ LYS 25 2HZ LYS 25 16.677 -0.221 -19.148 726 2HZ LYS 25 3HZ LYS 25 15.139 -0.622 -18.549 727 3HZ LYS 25 1HZ LYS 25 15.382 -0.449 -20.221 728 H GLU 26 H GLU 26 14.015 4.293 -13.853 729 HA GLU 26 HA GLU 26 14.407 7.216 -13.612 730 1HB GLU 26 2HB GLU 26 12.433 6.111 -15.002 731 2HB GLU 26 1HB GLU 26 11.727 5.899 -13.403 732 1HG GLU 26 1HG GLU 26 11.240 8.048 -13.255 733 2HG GLU 26 2HG GLU 26 12.878 8.520 -13.669 734 H TYR 27 H TYR 27 12.038 7.175 -11.714 735 HA TYR 27 HA TYR 27 12.832 5.459 -9.527 736 1HB TYR 27 1HB TYR 27 13.365 7.295 -7.958 737 2HB TYR 27 2HB TYR 27 14.511 7.263 -9.297 738 HD1 TYR 27 HD2 TYR 27 14.162 8.847 -11.265 739 HD2 TYR 27 HD1 TYR 27 11.981 9.193 -7.556 740 HE1 TYR 27 HE2 TYR 27 13.556 11.196 -11.840 741 HE2 TYR 27 HE1 TYR 27 11.375 11.542 -8.130 742 HH TYR 27 HH TYR 27 12.868 13.374 -10.208 743 H PHE 28 H PHE 28 11.336 6.277 -7.497 744 HA PHE 28 HA PHE 28 8.982 7.707 -8.418 745 1HB PHE 28 1HB PHE 28 8.526 5.563 -9.461 746 2HB PHE 28 2HB PHE 28 8.827 4.721 -7.962 747 HD1 PHE 28 HD1 PHE 28 6.481 6.926 -9.782 748 HD2 PHE 28 HD2 PHE 28 7.203 4.726 -6.137 749 HE1 PHE 28 HE1 PHE 28 4.095 7.231 -9.123 750 HE2 PHE 28 HE2 PHE 28 4.824 5.044 -5.472 751 HZ PHE 28 HZ PHE 28 3.266 6.289 -6.969 752 H TYR 29 H TYR 29 9.273 8.979 -6.520 753 HA TYR 29 HA TYR 29 9.634 7.907 -3.898 754 1HB TYR 29 2HB TYR 29 10.024 10.270 -4.365 755 2HB TYR 29 1HB TYR 29 8.326 10.494 -4.772 756 HD1 TYR 29 HD2 TYR 29 10.461 9.166 -1.967 757 HD2 TYR 29 HD1 TYR 29 6.875 11.278 -3.114 758 HE1 TYR 29 HE2 TYR 29 9.930 9.567 0.434 759 HE2 TYR 29 HE1 TYR 29 6.342 11.677 -0.713 760 HH TYR 29 HH TYR 29 7.258 11.658 1.406 761 H THR 30 H THR 30 8.224 6.969 -2.552 762 HA THR 30 HA THR 30 5.633 6.124 -3.419 763 HB THR 30 HB THR 30 5.309 5.361 -1.103 764 HG1 THR 30 HG1 THR 30 6.144 6.632 0.331 765 1HG2 THR 30 3HG2 THR 30 7.817 4.902 -2.616 766 2HG2 THR 30 1HG2 THR 30 7.836 4.370 -0.934 767 3HG2 THR 30 2HG2 THR 30 6.618 3.741 -2.044 768 H SER 31 H SER 31 3.710 6.628 -1.665 769 HA SER 31 HA SER 31 3.376 9.586 -1.820 770 1HB SER 31 1HB SER 31 1.029 9.210 -1.839 771 2HB SER 31 2HB SER 31 1.693 7.946 -2.873 772 HG SER 31 HG SER 31 0.116 7.386 -1.102 773 H GLY 32 H GLY 32 1.225 9.626 0.144 774 1HA GLY 32 2HA GLY 32 2.823 9.153 2.625 775 2HA GLY 32 1HA GLY 32 1.801 10.554 2.418 776 H LYS 33 H LYS 33 0.586 7.602 1.118 777 HA LYS 33 HA LYS 33 -1.471 7.545 3.263 778 1HB LYS 33 1HB LYS 33 -1.337 6.705 0.416 779 2HB LYS 33 2HB LYS 33 -2.306 5.700 1.467 780 1HG LYS 33 2HG LYS 33 -3.467 7.794 2.267 781 2HG LYS 33 1HG LYS 33 -2.607 8.671 1.000 782 1HD LYS 33 1HD LYS 33 -3.592 7.105 -0.679 783 2HD LYS 33 2HD LYS 33 -4.515 6.354 0.597 784 1HE LYS 33 1HE LYS 33 -4.716 9.310 0.403 785 2HE LYS 33 2HE LYS 33 -5.478 8.386 -0.892 786 1HZ LYS 33 2HZ LYS 33 -5.936 7.943 2.008 787 2HZ LYS 33 3HZ LYS 33 -6.981 8.799 0.980 788 3HZ LYS 33 1HZ LYS 33 -6.716 7.140 0.731 789 H CYS 34 H CYS 34 0.564 5.271 1.422 790 HA CYS 34 HA CYS 34 0.071 2.986 3.024 791 1HB CYS 34 1HB CYS 34 1.167 2.932 0.808 792 2HB CYS 34 2HB CYS 34 2.583 3.723 1.497 793 H SER 35 H SER 35 1.487 1.979 4.623 794 HA SER 35 HA SER 35 2.733 4.004 6.401 795 1HB SER 35 1HB SER 35 2.673 1.193 7.291 796 2HB SER 35 2HB SER 35 2.139 2.650 8.130 797 HG SER 35 HG SER 35 0.228 1.929 7.661 798 H ASN 36 H ASN 36 4.330 3.778 4.290 799 HA ASN 36 HA ASN 36 6.765 2.627 5.360 800 1HB ASN 36 2HB ASN 36 5.122 0.925 3.759 801 2HB ASN 36 1HB ASN 36 6.546 1.323 2.829 802 1HD2 ASN 36 2HD2 ASN 36 6.749 -0.798 6.306 803 2HD2 ASN 36 1HD2 ASN 36 5.493 -0.937 5.172 804 HA PRO 37 HA PRO 37 6.941 6.220 2.366 805 1HB PRO 37 1HB PRO 37 8.943 7.316 4.153 806 2HB PRO 37 2HB PRO 37 7.352 7.977 3.759 807 1HG PRO 37 2HG PRO 37 8.171 6.725 6.219 808 2HG PRO 37 1HG PRO 37 6.568 7.346 5.807 809 1HD PRO 37 2HD PRO 37 7.393 4.592 6.046 810 2HD PRO 37 1HD PRO 37 5.784 5.213 5.632 811 H ALA 38 H ALA 38 8.660 6.502 0.866 812 HA ALA 38 HA ALA 38 11.367 5.757 1.268 813 1HB ALA 38 3HB ALA 38 9.722 3.504 1.222 814 2HB ALA 38 1HB ALA 38 10.358 3.593 -0.420 815 3HB ALA 38 2HB ALA 38 11.465 3.516 0.953 816 H VAL 39 H VAL 39 11.891 4.599 -1.266 817 HA VAL 39 HA VAL 39 10.663 6.418 -3.233 818 HB VAL 39 HB VAL 39 13.075 7.091 -2.042 819 1HG1 VAL 39 1HG1 VAL 39 14.030 5.098 -3.426 820 2HG1 VAL 39 2HG1 VAL 39 13.861 6.195 -4.797 821 3HG1 VAL 39 3HG1 VAL 39 14.892 6.636 -3.436 822 1HG2 VAL 39 3HG2 VAL 39 11.611 7.851 -4.503 823 2HG2 VAL 39 1HG2 VAL 39 12.071 8.833 -3.113 824 3HG2 VAL 39 2HG2 VAL 39 13.267 8.441 -4.348 825 H VAL 40 H VAL 40 10.920 5.474 -5.396 826 HA VAL 40 HA VAL 40 11.902 2.674 -5.191 827 HB VAL 40 HB VAL 40 9.330 3.631 -6.442 828 1HG1 VAL 40 1HG1 VAL 40 10.882 1.519 -7.364 829 2HG1 VAL 40 2HG1 VAL 40 9.777 0.745 -6.235 830 3HG1 VAL 40 3HG1 VAL 40 9.146 1.688 -7.582 831 1HG2 VAL 40 1HG2 VAL 40 9.427 3.374 -3.976 832 2HG2 VAL 40 2HG2 VAL 40 8.345 2.198 -4.723 833 3HG2 VAL 40 3HG2 VAL 40 9.958 1.706 -4.194 834 H PHE 41 H PHE 41 13.497 2.316 -6.547 835 HA PHE 41 HA PHE 41 13.748 3.945 -8.959 836 1HB PHE 41 1HB PHE 41 15.504 1.884 -7.637 837 2HB PHE 41 2HB PHE 41 15.861 2.491 -9.234 838 HD1 PHE 41 HD1 PHE 41 15.521 5.242 -9.348 839 HD2 PHE 41 HD2 PHE 41 16.680 2.907 -5.909 840 HE1 PHE 41 HE1 PHE 41 16.640 7.242 -8.368 841 HE2 PHE 41 HE2 PHE 41 17.792 4.906 -4.930 842 HZ PHE 41 HZ PHE 41 17.786 7.071 -6.159 843 H VAL 42 H VAL 42 13.344 3.310 -10.932 844 HA VAL 42 HA VAL 42 12.259 0.554 -11.325 845 HB VAL 42 HB VAL 42 11.780 1.861 -13.665 846 1HG1 VAL 42 2HG2 VAL 42 10.266 0.527 -12.106 847 2HG1 VAL 42 3HG2 VAL 42 9.949 2.052 -11.279 848 3HG1 VAL 42 1HG2 VAL 42 9.494 1.855 -12.972 849 1HG2 VAL 42 2HG1 VAL 42 12.623 4.007 -12.575 850 2HG2 VAL 42 3HG1 VAL 42 11.018 4.084 -13.299 851 3HG2 VAL 42 1HG1 VAL 42 11.193 3.925 -11.551 852 H THR 43 H THR 43 14.515 -0.239 -11.324 853 HA THR 43 HA THR 43 16.465 0.831 -13.177 854 HB THR 43 HB THR 43 17.990 -0.678 -12.230 855 HG1 THR 43 HG1 THR 43 17.121 -2.572 -11.097 856 1HG2 THR 43 1HG2 THR 43 16.224 0.682 -10.525 857 2HG2 THR 43 2HG2 THR 43 16.378 -0.931 -9.828 858 3HG2 THR 43 3HG2 THR 43 17.817 0.051 -10.107 859 H ARG 44 H ARG 44 17.757 -1.519 -14.038 860 HA ARG 44 HA ARG 44 16.841 -1.795 -16.617 861 1HB ARG 44 1HB ARG 44 17.946 -4.171 -16.478 862 2HB ARG 44 2HB ARG 44 18.939 -2.749 -16.297 863 1HG ARG 44 1HG ARG 44 19.561 -3.403 -14.238 864 2HG ARG 44 2HG ARG 44 17.879 -3.459 -13.720 865 1HD ARG 44 1HD ARG 44 18.065 -5.700 -13.604 866 2HD ARG 44 2HD ARG 44 18.227 -5.721 -15.359 867 HE ARG 44 HE ARG 44 20.742 -5.409 -14.900 868 1HH1 ARG 44 2HH1 ARG 44 19.290 -6.027 -11.835 869 2HH1 ARG 44 1HH1 ARG 44 20.897 -6.553 -11.462 870 1HH2 ARG 44 1HH2 ARG 44 21.816 -7.809 -14.171 871 2HH2 ARG 44 2HH2 ARG 44 20.415 -8.643 -13.588 872 H LYS 45 H LYS 45 16.235 -4.348 -14.146 873 HA LYS 45 HA LYS 45 14.223 -5.706 -15.646 874 1HB LYS 45 2HB LYS 45 15.299 -5.942 -13.066 875 2HB LYS 45 1HB LYS 45 13.604 -5.618 -12.801 876 1HG LYS 45 1HG LYS 45 14.582 -7.711 -14.752 877 2HG LYS 45 2HG LYS 45 14.204 -8.075 -13.068 878 1HD LYS 45 1HD LYS 45 12.092 -8.425 -13.831 879 2HD LYS 45 2HD LYS 45 11.977 -6.665 -13.852 880 1HE LYS 45 1HE LYS 45 12.117 -6.554 -16.132 881 2HE LYS 45 2HE LYS 45 13.258 -7.895 -16.227 882 1HZ LYS 45 2HZ LYS 45 10.593 -8.587 -15.325 883 2HZ LYS 45 3HZ LYS 45 10.696 -8.071 -16.940 884 3HZ LYS 45 1HZ LYS 45 11.619 -9.395 -16.411 885 H ASN 46 H ASN 46 14.266 -2.825 -13.748 886 HA ASN 46 HA ASN 46 12.866 -1.028 -13.617 887 1HB ASN 46 2HB ASN 46 12.065 -2.388 -16.070 888 2HB ASN 46 1HB ASN 46 10.695 -1.625 -15.307 889 1HD2 ASN 46 1HD2 ASN 46 12.725 0.687 -17.560 890 2HD2 ASN 46 2HD2 ASN 46 11.438 -0.413 -17.692 891 H ARG 47 H ARG 47 12.213 -3.913 -12.379 892 HA ARG 47 HA ARG 47 9.415 -3.713 -11.703 893 1HB ARG 47 1HB ARG 47 11.738 -4.796 -10.059 894 2HB ARG 47 2HB ARG 47 10.032 -5.036 -9.678 895 1HG ARG 47 1HG ARG 47 9.710 -6.516 -11.428 896 2HG ARG 47 2HG ARG 47 10.979 -5.790 -12.413 897 1HD ARG 47 1HD ARG 47 12.583 -7.139 -11.539 898 2HD ARG 47 2HD ARG 47 11.961 -6.958 -9.899 899 HE ARG 47 HE ARG 47 10.274 -8.642 -11.582 900 1HH1 ARG 47 2HH2 ARG 47 11.300 -9.100 -8.403 901 2HH1 ARG 47 1HH2 ARG 47 10.654 -10.614 -8.943 902 1HH2 ARG 47 1HH1 ARG 47 13.055 -9.900 -11.621 903 2HH2 ARG 47 2HH1 ARG 47 12.624 -11.194 -10.552 904 H GLN 48 H GLN 48 8.712 -2.751 -9.465 905 HA GLN 48 HA GLN 48 10.101 -0.199 -9.304 906 1HB GLN 48 2HB GLN 48 7.482 -1.230 -8.421 907 2HB GLN 48 1HB GLN 48 8.193 0.028 -7.403 908 1HG GLN 48 1HG GLN 48 8.544 1.441 -9.376 909 2HG GLN 48 2HG GLN 48 7.953 0.185 -10.423 910 1HE2 GLN 48 1HE2 GLN 48 4.670 0.308 -8.799 911 2HE2 GLN 48 2HE2 GLN 48 5.425 -0.304 -10.190 912 H VAL 49 H VAL 49 12.021 -1.016 -8.601 913 HA VAL 49 HA VAL 49 12.401 -2.485 -6.179 914 HB VAL 49 HB VAL 49 14.573 -0.722 -7.137 915 1HG1 VAL 49 2HG1 VAL 49 14.306 -3.658 -6.465 916 2HG1 VAL 49 3HG1 VAL 49 15.829 -2.849 -6.837 917 3HG1 VAL 49 1HG1 VAL 49 14.922 -2.397 -5.392 918 1HG2 VAL 49 1HG2 VAL 49 13.322 -2.886 -8.855 919 2HG2 VAL 49 2HG2 VAL 49 13.791 -1.263 -9.354 920 3HG2 VAL 49 3HG2 VAL 49 15.025 -2.474 -9.007 921 H CYS 50 H CYS 50 13.386 -1.587 -4.183 922 HA CYS 50 HA CYS 50 12.524 1.237 -3.762 923 1HB CYS 50 2HB CYS 50 11.748 -0.947 -2.347 924 2HB CYS 50 1HB CYS 50 13.133 -0.437 -1.414 925 H ALA 51 H ALA 51 13.915 1.937 -1.557 926 HA ALA 51 HA ALA 51 16.583 1.110 -1.282 927 1HB ALA 51 3HB ALA 51 16.097 2.870 -3.616 928 2HB ALA 51 1HB ALA 51 17.448 3.336 -2.583 929 3HB ALA 51 2HB ALA 51 17.414 1.734 -3.317 930 H ASN 52 H ASN 52 14.362 2.344 0.218 931 HA ASN 52 HA ASN 52 14.202 3.771 2.055 932 1HB ASN 52 1HB ASN 52 16.541 2.915 2.427 933 2HB ASN 52 2HB ASN 52 17.134 4.310 1.526 934 1HD2 ASN 52 2HD2 ASN 52 16.212 4.434 5.377 935 2HD2 ASN 52 1HD2 ASN 52 14.957 3.722 4.483 936 HA PRO 53 HA PRO 53 13.604 7.655 0.001 937 1HB PRO 53 1HB PRO 53 12.586 9.018 2.193 938 2HB PRO 53 2HB PRO 53 11.644 7.945 1.178 939 1HG PRO 53 2HG PRO 53 12.608 7.514 3.930 940 2HG PRO 53 1HG PRO 53 11.340 6.669 3.065 941 1HD PRO 53 2HD PRO 53 13.999 5.741 3.560 942 2HD PRO 53 1HD PRO 53 12.763 4.947 2.594 943 H GLU 54 H GLU 54 14.835 7.892 3.365 944 HA GLU 54 HA GLU 54 16.467 10.243 2.546 945 1HB GLU 54 1HB GLU 54 15.890 9.223 5.339 946 2HB GLU 54 2HB GLU 54 16.581 10.785 4.901 947 1HG GLU 54 1HG GLU 54 14.543 11.673 4.476 948 2HG GLU 54 2HG GLU 54 14.042 10.265 3.540 949 H LYS 55 H LYS 55 17.532 7.806 1.678 950 HA LYS 55 HA LYS 55 19.643 7.107 3.643 951 1HB LYS 55 2HB LYS 55 18.366 5.736 1.442 952 2HB LYS 55 1HB LYS 55 20.100 5.696 1.266 953 1HG LYS 55 1HG LYS 55 18.975 5.149 3.974 954 2HG LYS 55 2HG LYS 55 18.805 3.891 2.751 955 1HD LYS 55 1HD LYS 55 21.336 4.281 2.309 956 2HD LYS 55 2HD LYS 55 21.331 5.092 3.875 957 1HE LYS 55 1HE LYS 55 20.317 3.037 4.882 958 2HE LYS 55 2HE LYS 55 20.476 2.234 3.319 959 1HZ LYS 55 3HZ LYS 55 22.829 3.519 4.522 960 2HZ LYS 55 1HZ LYS 55 22.331 2.001 5.099 961 3HZ LYS 55 2HZ LYS 55 22.747 2.193 3.464 962 H LYS 56 H LYS 56 19.505 9.730 2.252 963 HA LYS 56 HA LYS 56 20.999 11.249 1.316 964 1HB LYS 56 1HB LYS 56 22.942 9.002 1.903 965 2HB LYS 56 2HB LYS 56 23.424 10.606 1.356 966 1HG LYS 56 1HG LYS 56 23.413 11.229 3.525 967 2HG LYS 56 2HG LYS 56 21.656 11.097 3.467 968 1HD LYS 56 1HD LYS 56 21.667 9.232 4.743 969 2HD LYS 56 2HD LYS 56 22.940 8.491 3.774 970 1HE LYS 56 1HE LYS 56 24.644 9.385 5.082 971 2HE LYS 56 2HE LYS 56 23.653 10.738 5.628 972 1HZ LYS 56 3HZ LYS 56 22.259 8.845 6.706 973 2HZ LYS 56 1HZ LYS 56 23.706 7.964 6.589 974 3HZ LYS 56 2HZ LYS 56 23.663 9.413 7.475 975 H TRP 57 H TRP 57 22.816 8.506 0.036 976 HA TRP 57 HA TRP 57 23.076 9.416 -2.557 977 1HB TRP 57 1HB TRP 57 23.549 7.147 -3.222 978 2HB TRP 57 2HB TRP 57 24.210 7.422 -1.609 979 HD1 TRP 57 HD1 TRP 57 23.298 5.863 0.286 980 HE1 TRP 57 HE1 TRP 57 21.746 3.802 0.218 981 HE3 TRP 57 HE3 TRP 57 21.356 6.466 -4.346 982 HZ2 TRP 57 HZ2 TRP 57 19.832 2.605 -1.594 983 HZ3 TRP 57 HZ3 TRP 57 19.776 4.843 -5.287 984 HH2 TRP 57 HH2 TRP 57 18.977 2.925 -3.912 985 H VAL 58 H VAL 58 20.301 7.492 -1.390 986 HA VAL 58 HA VAL 58 18.983 7.113 -3.841 987 HB VAL 58 HB VAL 58 16.829 7.606 -2.382 988 1HG1 VAL 58 2HG1 VAL 58 18.115 5.399 -3.119 989 2HG1 VAL 58 3HG1 VAL 58 18.398 5.292 -1.385 990 3HG1 VAL 58 1HG1 VAL 58 16.750 5.353 -2.014 991 1HG2 VAL 58 3HG2 VAL 58 18.733 8.481 -0.634 992 2HG2 VAL 58 1HG2 VAL 58 17.101 7.980 -0.195 993 3HG2 VAL 58 2HG2 VAL 58 18.439 6.838 -0.080 994 H ARG 59 H ARG 59 18.742 9.998 -1.728 995 HA ARG 59 HA ARG 59 17.001 11.428 -3.516 996 1HB ARG 59 1HB ARG 59 18.727 12.171 -1.179 997 2HB ARG 59 2HB ARG 59 18.088 13.446 -2.190 998 1HG ARG 59 2HG ARG 59 15.809 12.201 -1.907 999 2HG ARG 59 1HG ARG 59 16.592 11.443 -0.522 1000 1HD ARG 59 1HD ARG 59 16.482 14.442 -0.944 1001 2HD ARG 59 2HD ARG 59 15.309 13.553 0.029 1002 HE ARG 59 HE ARG 59 18.095 13.074 0.798 1003 1HH1 ARG 59 1HH2 ARG 59 15.124 13.773 2.390 1004 2HH1 ARG 59 2HH2 ARG 59 16.291 13.753 3.669 1005 1HH2 ARG 59 2HH1 ARG 59 18.554 15.417 2.440 1006 2HH2 ARG 59 1HH1 ARG 59 17.168 16.308 1.908 1007 H GLU 60 H GLU 60 20.494 11.148 -3.176 1008 HA GLU 60 HA GLU 60 21.176 13.234 -5.056 1009 1HB GLU 60 2HB GLU 60 22.677 10.789 -4.092 1010 2HB GLU 60 1HB GLU 60 23.377 11.977 -5.163 1011 1HG GLU 60 1HG GLU 60 22.171 13.386 -3.007 1012 2HG GLU 60 2HG GLU 60 23.124 12.095 -2.317 1013 H TYR 61 H TYR 61 19.813 10.132 -5.382 1014 HA TYR 61 HA TYR 61 20.728 9.762 -8.168 1015 1HB TYR 61 2HB TYR 61 19.529 8.096 -6.043 1016 2HB TYR 61 1HB TYR 61 18.922 7.761 -7.642 1017 HD1 TYR 61 HD1 TYR 61 22.005 8.023 -5.582 1018 HD2 TYR 61 HD2 TYR 61 20.292 6.657 -9.298 1019 HE1 TYR 61 HE1 TYR 61 24.089 6.760 -6.072 1020 HE2 TYR 61 HE2 TYR 61 22.381 5.394 -9.792 1021 HH TYR 61 HH TYR 61 24.970 5.725 -8.991 1022 H ILE 62 H ILE 62 17.949 10.679 -6.247 1023 HA ILE 62 HA ILE 62 15.945 10.487 -8.281 1024 HB ILE 62 HB ILE 62 16.180 12.288 -5.850 1025 1HG1 ILE 62 1HG1 ILE 62 14.509 9.801 -6.312 1026 2HG1 ILE 62 2HG1 ILE 62 16.079 9.789 -5.508 1027 1HG2 ILE 62 1HG2 ILE 62 14.310 12.341 -8.047 1028 2HG2 ILE 62 2HG2 ILE 62 13.479 11.879 -6.562 1029 3HG2 ILE 62 3HG2 ILE 62 14.384 13.390 -6.631 1030 1HD1 ILE 62 3HD1 ILE 62 14.812 11.802 -4.158 1031 2HD1 ILE 62 1HD1 ILE 62 13.460 10.727 -4.513 1032 3HD1 ILE 62 2HD1 ILE 62 14.854 10.123 -3.617 1033 H ASN 63 H ASN 63 18.405 12.889 -7.567 1034 HA ASN 63 HA ASN 63 17.241 14.801 -9.496 1035 1HB ASN 63 2HB ASN 63 19.690 14.885 -7.724 1036 2HB ASN 63 1HB ASN 63 19.312 16.143 -8.876 1037 1HD2 ASN 63 2HD2 ASN 63 17.526 15.503 -5.370 1038 2HD2 ASN 63 1HD2 ASN 63 19.020 16.269 -5.618 1039 H SER 64 H SER 64 19.907 12.509 -9.235 1040 HA SER 64 HA SER 64 21.368 13.337 -11.545 1041 1HB SER 64 2HB SER 64 21.707 11.403 -9.634 1042 2HB SER 64 1HB SER 64 21.269 10.429 -11.038 1043 HG SER 64 HG SER 64 23.554 10.923 -10.807 1044 H LEU 65 H LEU 65 18.433 11.462 -11.165 1045 HA LEU 65 HA LEU 65 18.467 10.512 -13.943 1046 1HB LEU 65 1HB LEU 65 16.259 10.460 -11.862 1047 2HB LEU 65 2HB LEU 65 16.232 9.611 -13.407 1048 HG LEU 65 HG LEU 65 18.593 9.157 -11.641 1049 1HD1 LEU 65 3HD1 LEU 65 16.110 8.997 -10.479 1050 2HD1 LEU 65 1HD1 LEU 65 16.315 7.360 -11.107 1051 3HD1 LEU 65 2HD1 LEU 65 17.504 8.031 -9.991 1052 1HD2 LEU 65 3HD2 LEU 65 17.262 7.952 -13.919 1053 2HD2 LEU 65 1HD2 LEU 65 18.874 7.633 -13.278 1054 3HD2 LEU 65 2HD2 LEU 65 17.479 6.770 -12.629 1055 H GLU 66 H GLU 66 16.548 12.852 -12.037 1056 HA GLU 66 HA GLU 66 15.286 13.868 -14.496 1057 1HB GLU 66 1HB GLU 66 14.134 13.672 -12.210 1058 2HB GLU 66 2HB GLU 66 15.089 15.075 -11.731 1059 1HG GLU 66 1HG GLU 66 14.001 16.494 -13.228 1060 2HG GLU 66 2HG GLU 66 13.530 15.171 -14.294 1061 H MET 67 H MET 67 15.936 15.695 -15.577 1062 HA MET 67 HA MET 67 17.225 17.577 -16.124 1063 1HB MET 67 1HB MET 67 16.398 18.035 -13.576 1064 2HB MET 67 2HB MET 67 18.146 18.018 -13.340 1065 1HG MET 67 1HG MET 67 17.502 20.290 -13.852 1066 2HG MET 67 2HG MET 67 18.334 19.643 -15.265 1067 1HE MET 67 1HE MET 67 15.720 21.570 -13.971 1068 2HE MET 67 3HE MET 67 16.376 22.250 -15.460 1069 3HE MET 67 2HE MET 67 14.658 21.867 -15.348 1070 H SER 68 H SER 68 18.694 15.896 -17.071 1071 HA SER 68 HA SER 68 21.392 16.195 -15.926 1072 1HB SER 68 1HB SER 68 21.863 13.850 -15.759 1073 2HB SER 68 2HB SER 68 20.348 14.112 -14.894 1074 HG SER 68 HG SER 68 20.282 12.323 -16.354 No H/Q in entry = 1074 Start of MODEL 8 1 H SER 1 H SER 1 13.288 -16.119 3.759 2 HA SER 1 HA SER 1 10.549 -16.076 2.598 3 1HB SER 1 1HB SER 1 11.797 -14.022 4.346 4 2HB SER 1 2HB SER 1 10.962 -13.419 2.914 5 HG SER 1 HG SER 1 9.649 -13.719 4.854 6 HA PRO 2 HA PRO 2 12.555 -15.186 -1.189 7 1HB PRO 2 1HB PRO 2 10.844 -12.999 -1.972 8 2HB PRO 2 2HB PRO 2 10.775 -14.679 -2.516 9 1HG PRO 2 1HG PRO 2 8.955 -13.320 -0.734 10 2HG PRO 2 2HG PRO 2 8.885 -15.000 -1.278 11 1HD PRO 2 1HD PRO 2 9.606 -14.014 1.335 12 2HD PRO 2 2HD PRO 2 9.535 -15.701 0.789 13 H TYR 3 H TYR 3 13.868 -13.521 -2.276 14 HA TYR 3 HA TYR 3 14.655 -11.349 -0.390 15 1HB TYR 3 1HB TYR 3 16.120 -12.709 -2.665 16 2HB TYR 3 2HB TYR 3 16.733 -11.266 -1.856 17 HD1 TYR 3 HD2 TYR 3 16.291 -11.541 0.917 18 HD2 TYR 3 HD1 TYR 3 17.174 -14.662 -1.932 19 HE1 TYR 3 HE2 TYR 3 17.200 -12.960 2.753 20 HE2 TYR 3 HE1 TYR 3 18.083 -16.081 -0.095 21 HH TYR 3 HH TYR 3 17.586 -16.119 2.622 22 H SER 4 H SER 4 12.368 -10.706 -1.675 23 HA SER 4 HA SER 4 12.761 -9.463 -4.254 24 1HB SER 4 1HB SER 4 10.561 -10.131 -2.812 25 2HB SER 4 2HB SER 4 10.637 -8.402 -2.473 26 HG SER 4 HG SER 4 9.560 -9.361 -4.524 27 H SER 5 H SER 5 12.129 -6.959 -4.344 28 HA SER 5 HA SER 5 13.061 -5.281 -2.190 29 1HB SER 5 1HB SER 5 15.019 -4.474 -3.889 30 2HB SER 5 2HB SER 5 15.287 -5.629 -2.584 31 HG SER 5 HG SER 5 15.401 -6.003 -5.249 32 H ASP 6 H ASP 6 10.778 -5.317 -3.823 33 HA ASP 6 HA ASP 6 11.059 -2.684 -5.181 34 1HB ASP 6 1HB ASP 6 9.799 -3.463 -7.113 35 2HB ASP 6 2HB ASP 6 11.191 -4.494 -6.904 36 H THR 7 H THR 7 8.307 -2.776 -6.127 37 HA THR 7 HA THR 7 7.062 -2.186 -3.536 38 HB THR 7 HB THR 7 5.172 -1.332 -5.009 39 HG1 THR 7 HG1 THR 7 5.380 -2.276 -6.909 40 1HG2 THR 7 3HG2 THR 7 7.999 -0.291 -5.228 41 2HG2 THR 7 1HG2 THR 7 6.637 0.575 -5.938 42 3HG2 THR 7 2HG2 THR 7 6.693 0.298 -4.198 43 H THR 8 H THR 8 4.440 -2.745 -3.869 44 HA THR 8 HA THR 8 4.017 -5.434 -4.929 45 HB THR 8 HB THR 8 3.984 -4.990 -1.925 46 HG1 THR 8 HG1 THR 8 5.606 -6.634 -3.570 47 1HG2 THR 8 1HG2 THR 8 2.250 -6.564 -3.142 48 2HG2 THR 8 2HG2 THR 8 3.639 -7.639 -3.297 49 3HG2 THR 8 3HG2 THR 8 3.091 -7.133 -1.700 50 HA PRO 9 HA PRO 9 0.025 -3.610 -5.307 51 1HB PRO 9 1HB PRO 9 -1.224 -6.229 -5.239 52 2HB PRO 9 2HB PRO 9 -0.977 -5.170 -6.633 53 1HG PRO 9 2HG PRO 9 0.443 -7.597 -6.009 54 2HG PRO 9 1HG PRO 9 0.725 -6.510 -7.370 55 1HD PRO 9 2HD PRO 9 2.363 -6.897 -5.056 56 2HD PRO 9 1HD PRO 9 2.640 -5.808 -6.406 57 H CYS 10 H CYS 10 0.030 -2.762 -3.113 58 HA CYS 10 HA CYS 10 -1.350 -4.523 -1.133 59 1HB CYS 10 2HB CYS 10 0.880 -3.797 -0.388 60 2HB CYS 10 1HB CYS 10 0.433 -2.115 -0.658 61 H CYS 11 H CYS 11 -3.189 -3.797 -0.179 62 HA CYS 11 HA CYS 11 -4.287 -1.297 -1.333 63 1HB CYS 11 2HB CYS 11 -6.143 -2.460 -1.762 64 2HB CYS 11 1HB CYS 11 -5.356 -3.908 -1.168 65 H PHE 12 H PHE 12 -4.425 0.429 0.048 66 HA PHE 12 HA PHE 12 -4.037 -0.085 2.942 67 1HB PHE 12 2HB PHE 12 -3.572 2.291 3.129 68 2HB PHE 12 1HB PHE 12 -2.652 1.643 1.773 69 HD1 PHE 12 HD1 PHE 12 -5.643 3.632 2.733 70 HD2 PHE 12 HD2 PHE 12 -3.118 2.311 -0.510 71 HE1 PHE 12 HE1 PHE 12 -6.738 5.275 1.212 72 HE2 PHE 12 HE2 PHE 12 -4.215 3.953 -2.033 73 HZ PHE 12 HZ PHE 12 -6.025 5.434 -1.172 74 H ALA 13 H ALA 13 -6.383 1.398 0.725 75 HA ALA 13 HA ALA 13 -8.312 1.480 3.009 76 1HB ALA 13 3HB ALA 13 -8.001 3.304 0.620 77 2HB ALA 13 1HB ALA 13 -9.480 3.259 1.580 78 3HB ALA 13 2HB ALA 13 -7.957 3.740 2.329 79 H TYR 14 H TYR 14 -10.095 0.262 2.799 80 HA TYR 14 HA TYR 14 -10.606 -0.869 0.106 81 1HB TYR 14 2HB TYR 14 -11.887 -2.662 1.548 82 2HB TYR 14 1HB TYR 14 -10.138 -2.765 1.351 83 HD1 TYR 14 HD1 TYR 14 -8.619 -1.868 3.138 84 HD2 TYR 14 HD2 TYR 14 -12.886 -2.206 3.685 85 HE1 TYR 14 HE1 TYR 14 -8.326 -1.563 5.584 86 HE2 TYR 14 HE2 TYR 14 -12.593 -1.915 6.139 87 HH TYR 14 HH TYR 14 -9.815 -0.736 7.540 88 H ILE 15 H ILE 15 -12.741 -0.853 -0.681 89 HA ILE 15 HA ILE 15 -14.497 1.139 0.570 90 HB ILE 15 HB ILE 15 -14.247 1.078 -1.882 91 1HG1 ILE 15 2HG1 ILE 15 -17.004 0.189 -1.849 92 2HG1 ILE 15 1HG1 ILE 15 -16.659 1.174 -0.427 93 1HG2 ILE 15 3HG2 ILE 15 -14.275 -1.663 -1.555 94 2HG2 ILE 15 1HG2 ILE 15 -15.871 -1.349 -2.234 95 3HG2 ILE 15 2HG2 ILE 15 -14.427 -0.829 -3.101 96 1HD1 ILE 15 1HD1 ILE 15 -15.974 1.972 -3.273 97 2HD1 ILE 15 2HD1 ILE 15 -17.401 2.529 -2.398 98 3HD1 ILE 15 3HD1 ILE 15 -15.790 2.969 -1.829 99 H ALA 16 H ALA 16 -16.144 0.639 1.935 100 HA ALA 16 HA ALA 16 -16.715 -2.184 2.521 101 1HB ALA 16 2HB ALA 16 -16.553 -0.390 4.300 102 2HB ALA 16 3HB ALA 16 -18.054 0.284 3.666 103 3HB ALA 16 1HB ALA 16 -18.040 -1.338 4.358 104 H ARG 17 H ARG 17 -17.726 -2.830 0.526 105 HA ARG 17 HA ARG 17 -20.526 -2.711 0.442 106 1HB ARG 17 1HB ARG 17 -19.354 -0.294 -0.492 107 2HB ARG 17 2HB ARG 17 -19.993 -1.142 -1.900 108 1HG ARG 17 1HG ARG 17 -21.925 -1.419 0.159 109 2HG ARG 17 2HG ARG 17 -21.434 0.273 0.155 110 1HD ARG 17 1HD ARG 17 -21.844 0.375 -2.285 111 2HD ARG 17 2HD ARG 17 -22.360 -1.311 -2.263 112 HE ARG 17 HE ARG 17 -24.197 -0.506 -0.660 113 1HH1 ARG 17 2HH1 ARG 17 -24.865 1.809 -0.061 114 2HH1 ARG 17 1HH1 ARG 17 -25.070 2.867 -1.416 115 1HH2 ARG 17 1HH2 ARG 17 -23.275 1.430 -3.562 116 2HH2 ARG 17 2HH2 ARG 17 -25.002 1.332 -3.633 117 HA PRO 18 HA PRO 18 -18.966 -6.050 -2.151 118 1HB PRO 18 1HB PRO 18 -21.704 -6.679 -2.805 119 2HB PRO 18 2HB PRO 18 -20.594 -7.595 -1.802 120 1HG PRO 18 1HG PRO 18 -22.822 -5.999 -0.940 121 2HG PRO 18 2HG PRO 18 -21.709 -6.895 0.065 122 1HD PRO 18 2HD PRO 18 -21.908 -4.054 -0.231 123 2HD PRO 18 1HD PRO 18 -20.719 -4.955 0.730 124 H LEU 19 H LEU 19 -18.138 -5.281 -4.029 125 HA LEU 19 HA LEU 19 -19.467 -3.418 -5.759 126 1HB LEU 19 1HB LEU 19 -17.262 -5.336 -6.560 127 2HB LEU 19 2HB LEU 19 -17.636 -3.773 -7.282 128 HG LEU 19 HG LEU 19 -16.594 -4.246 -4.472 129 1HD1 LEU 19 2HD1 LEU 19 -15.011 -4.437 -6.478 130 2HD1 LEU 19 3HD1 LEU 19 -15.310 -2.719 -6.741 131 3HD1 LEU 19 1HD1 LEU 19 -14.564 -3.264 -5.239 132 1HD2 LEU 19 3HD2 LEU 19 -17.975 -1.983 -5.722 133 2HD2 LEU 19 1HD2 LEU 19 -17.632 -2.286 -4.019 134 3HD2 LEU 19 2HD2 LEU 19 -16.405 -1.546 -5.048 135 HA PRO 20 HA PRO 20 -22.169 -5.964 -8.098 136 1HB PRO 20 1HB PRO 20 -21.456 -4.802 -10.646 137 2HB PRO 20 2HB PRO 20 -22.889 -4.474 -9.666 138 1HG PRO 20 1HG PRO 20 -20.612 -2.757 -10.084 139 2HG PRO 20 2HG PRO 20 -22.035 -2.438 -9.085 140 1HD PRO 20 1HD PRO 20 -19.354 -3.050 -8.207 141 2HD PRO 20 2HD PRO 20 -20.779 -2.720 -7.205 142 H ARG 21 H ARG 21 -21.487 -8.065 -8.344 143 HA ARG 21 HA ARG 21 -18.987 -8.996 -9.159 144 1HB ARG 21 2HB ARG 21 -21.173 -10.247 -8.324 145 2HB ARG 21 1HB ARG 21 -21.402 -10.525 -10.033 146 1HG ARG 21 1HG ARG 21 -18.686 -11.037 -8.915 147 2HG ARG 21 2HG ARG 21 -19.958 -12.196 -8.528 148 1HD ARG 21 1HD ARG 21 -19.378 -11.274 -11.353 149 2HD ARG 21 2HD ARG 21 -18.633 -12.704 -10.641 150 HE ARG 21 HE ARG 21 -21.217 -13.292 -10.219 151 1HH1 ARG 21 1HH1 ARG 21 -22.636 -11.659 -12.097 152 2HH1 ARG 21 2HH1 ARG 21 -22.819 -12.954 -13.231 153 1HH2 ARG 21 2HH2 ARG 21 -19.392 -13.296 -13.131 154 2HH2 ARG 21 1HH2 ARG 21 -20.738 -14.246 -13.665 155 H ALA 22 H ALA 22 -21.678 -7.955 -11.189 156 HA ALA 22 HA ALA 22 -20.596 -8.982 -13.656 157 1HB ALA 22 2HB ALA 22 -22.712 -6.995 -12.911 158 2HB ALA 22 3HB ALA 22 -22.134 -7.032 -14.577 159 3HB ALA 22 1HB ALA 22 -22.853 -8.474 -13.861 160 H HIS 23 H HIS 23 -20.371 -5.816 -12.035 161 HA HIS 23 HA HIS 23 -18.869 -4.575 -14.156 162 1HB HIS 23 2HB HIS 23 -18.925 -3.901 -11.199 163 2HB HIS 23 1HB HIS 23 -18.313 -2.857 -12.479 164 HD2 HIS 23 HD2 HIS 23 -21.595 -4.700 -13.408 165 HE1 HIS 23 HE1 HIS 23 -22.628 -0.730 -12.384 166 HE2 HIS 23 HE2 HIS 23 -23.485 -2.902 -13.395 167 H ILE 24 H ILE 24 -17.984 -6.680 -11.495 168 HA ILE 24 HA ILE 24 -15.152 -6.001 -11.669 169 HB ILE 24 HB ILE 24 -16.319 -8.463 -10.399 170 1HG1 ILE 24 2HG1 ILE 24 -15.917 -5.725 -9.164 171 2HG1 ILE 24 1HG1 ILE 24 -17.481 -6.444 -9.546 172 1HG2 ILE 24 1HG2 ILE 24 -13.704 -7.060 -10.406 173 2HG2 ILE 24 2HG2 ILE 24 -14.238 -7.714 -8.860 174 3HG2 ILE 24 3HG2 ILE 24 -14.057 -8.781 -10.251 175 1HD1 ILE 24 1HD1 ILE 24 -15.889 -8.312 -8.018 176 2HD1 ILE 24 2HD1 ILE 24 -15.983 -6.770 -7.168 177 3HD1 ILE 24 3HD1 ILE 24 -17.462 -7.618 -7.620 178 H LYS 25 H LYS 25 -13.523 -7.698 -12.216 179 HA LYS 25 HA LYS 25 -14.501 -9.538 -14.360 180 1HB LYS 25 1HB LYS 25 -12.491 -7.406 -14.448 181 2HB LYS 25 2HB LYS 25 -11.885 -8.936 -15.026 182 1HG LYS 25 1HG LYS 25 -14.515 -8.595 -16.080 183 2HG LYS 25 2HG LYS 25 -13.605 -7.114 -16.385 184 1HD LYS 25 1HD LYS 25 -12.746 -8.236 -18.164 185 2HD LYS 25 2HD LYS 25 -11.751 -9.069 -16.969 186 1HE LYS 25 1HE LYS 25 -14.350 -10.293 -17.035 187 2HE LYS 25 2HE LYS 25 -13.720 -10.199 -18.680 188 1HZ LYS 25 1HZ LYS 25 -11.625 -11.165 -17.822 189 2HZ LYS 25 2HZ LYS 25 -12.378 -11.392 -16.317 190 3HZ LYS 25 3HZ LYS 25 -12.955 -12.211 -17.687 191 H GLU 26 H GLU 26 -12.436 -9.023 -11.601 192 HA GLU 26 HA GLU 26 -11.990 -11.854 -11.264 193 1HB GLU 26 1HB GLU 26 -9.330 -11.084 -11.211 194 2HB GLU 26 2HB GLU 26 -10.081 -11.991 -12.504 195 1HG GLU 26 1HG GLU 26 -10.420 -9.060 -12.707 196 2HG GLU 26 2HG GLU 26 -8.759 -9.616 -12.809 197 H TYR 27 H TYR 27 -9.716 -11.568 -9.521 198 HA TYR 27 HA TYR 27 -10.032 -9.357 -7.719 199 1HB TYR 27 1HB TYR 27 -11.011 -10.670 -5.832 200 2HB TYR 27 2HB TYR 27 -12.139 -10.532 -7.160 201 HD1 TYR 27 HD1 TYR 27 -12.239 -12.459 -8.886 202 HD2 TYR 27 HD2 TYR 27 -10.305 -12.799 -5.040 203 HE1 TYR 27 HE1 TYR 27 -12.274 -14.944 -9.087 204 HE2 TYR 27 HE2 TYR 27 -10.346 -15.284 -5.241 205 HH TYR 27 HH TYR 27 -10.444 -16.950 -7.482 206 H PHE 28 H PHE 28 -8.431 -9.520 -6.033 207 HA PHE 28 HA PHE 28 -6.809 -11.963 -6.060 208 1HB PHE 28 1HB PHE 28 -5.654 -10.842 -7.784 209 2HB PHE 28 2HB PHE 28 -5.886 -9.278 -7.051 210 HD1 PHE 28 HD1 PHE 28 -4.618 -8.676 -4.944 211 HD2 PHE 28 HD2 PHE 28 -3.722 -12.189 -7.288 212 HE1 PHE 28 HE1 PHE 28 -2.398 -8.839 -3.839 213 HE2 PHE 28 HE2 PHE 28 -1.493 -12.358 -6.181 214 HZ PHE 28 HZ PHE 28 -0.829 -10.684 -4.454 215 H TYR 29 H TYR 29 -6.304 -12.417 -3.957 216 HA TYR 29 HA TYR 29 -6.832 -10.413 -1.916 217 1HB TYR 29 1HB TYR 29 -7.259 -12.863 -1.593 218 2HB TYR 29 2HB TYR 29 -5.542 -13.156 -1.658 219 HD1 TYR 29 HD2 TYR 29 -4.066 -11.746 0.033 220 HD2 TYR 29 HD1 TYR 29 -8.291 -12.499 0.473 221 HE1 TYR 29 HE2 TYR 29 -3.893 -11.292 2.481 222 HE2 TYR 29 HE1 TYR 29 -8.119 -12.055 2.918 223 HH TYR 29 HH TYR 29 -5.104 -11.810 4.541 224 H THR 30 H THR 30 -5.387 -9.226 -0.796 225 HA THR 30 HA THR 30 -2.772 -8.783 -1.936 226 HB THR 30 HB THR 30 -3.892 -7.853 0.726 227 HG1 THR 30 HG1 THR 30 -3.888 -6.675 -1.853 228 1HG2 THR 30 3HG2 THR 30 -1.425 -7.253 -0.851 229 2HG2 THR 30 1HG2 THR 30 -2.207 -5.916 -0.008 230 3HG2 THR 30 2HG2 THR 30 -1.648 -7.323 0.897 231 H SER 31 H SER 31 -0.980 -9.982 -1.564 232 HA SER 31 HA SER 31 -0.814 -12.184 0.178 233 1HB SER 31 1HB SER 31 0.836 -11.113 -1.706 234 2HB SER 31 2HB SER 31 1.714 -10.697 -0.234 235 HG SER 31 HG SER 31 2.357 -12.727 -0.837 236 H GLY 32 H GLY 32 1.107 -12.158 1.962 237 1HA GLY 32 1HA GLY 32 0.201 -10.162 3.962 238 2HA GLY 32 2HA GLY 32 1.082 -11.646 4.321 239 H LYS 33 H LYS 33 1.725 -8.889 2.122 240 HA LYS 33 HA LYS 33 4.523 -8.864 3.110 241 1HB LYS 33 2HB LYS 33 3.141 -7.515 0.779 242 2HB LYS 33 1HB LYS 33 4.811 -7.175 1.228 243 1HG LYS 33 2HG LYS 33 5.285 -9.642 1.039 244 2HG LYS 33 1HG LYS 33 3.655 -9.851 0.399 245 1HD LYS 33 2HD LYS 33 4.162 -8.831 -1.602 246 2HD LYS 33 1HD LYS 33 5.352 -7.754 -0.870 247 1HE LYS 33 1HE LYS 33 6.308 -9.569 -2.379 248 2HE LYS 33 2HE LYS 33 6.990 -9.504 -0.755 249 1HZ LYS 33 2HZ LYS 33 4.776 -11.300 -1.582 250 2HZ LYS 33 3HZ LYS 33 6.404 -11.768 -1.465 251 3HZ LYS 33 1HZ LYS 33 5.558 -11.284 -0.075 252 H CYS 34 H CYS 34 2.025 -6.405 2.374 253 HA CYS 34 HA CYS 34 3.289 -4.544 4.273 254 1HB CYS 34 2HB CYS 34 1.451 -3.004 3.562 255 2HB CYS 34 1HB CYS 34 2.389 -3.620 2.203 256 H SER 35 H SER 35 1.760 -3.424 5.889 257 HA SER 35 HA SER 35 0.391 -5.543 7.423 258 1HB SER 35 1HB SER 35 0.452 -2.693 8.331 259 2HB SER 35 2HB SER 35 0.633 -4.172 9.273 260 HG SER 35 HG SER 35 2.515 -2.863 7.637 261 H ASN 36 H ASN 36 -1.096 -5.261 5.239 262 HA ASN 36 HA ASN 36 -3.544 -3.965 6.253 263 1HB ASN 36 1HB ASN 36 -1.998 -2.468 4.597 264 2HB ASN 36 2HB ASN 36 -2.963 -3.326 3.420 265 1HD2 ASN 36 2HD2 ASN 36 -4.683 -0.485 5.771 266 2HD2 ASN 36 1HD2 ASN 36 -3.181 -1.132 6.224 267 HA PRO 37 HA PRO 37 -3.886 -8.070 3.979 268 1HB PRO 37 1HB PRO 37 -5.654 -8.893 6.115 269 2HB PRO 37 2HB PRO 37 -4.079 -9.571 5.682 270 1HG PRO 37 2HG PRO 37 -4.723 -7.937 7.968 271 2HG PRO 37 1HG PRO 37 -3.145 -8.594 7.520 272 1HD PRO 37 1HD PRO 37 -4.027 -5.851 7.367 273 2HD PRO 37 2HD PRO 37 -2.444 -6.512 6.917 274 H ALA 38 H ALA 38 -5.703 -8.549 2.691 275 HA ALA 38 HA ALA 38 -8.388 -7.768 3.298 276 1HB ALA 38 3HB ALA 38 -7.315 -5.492 2.987 277 2HB ALA 38 1HB ALA 38 -6.996 -5.944 1.312 278 3HB ALA 38 2HB ALA 38 -8.657 -5.819 1.893 279 H VAL 39 H VAL 39 -9.076 -7.121 0.516 280 HA VAL 39 HA VAL 39 -8.092 -9.415 -1.016 281 HB VAL 39 HB VAL 39 -10.337 -9.818 0.469 282 1HG1 VAL 39 1HG1 VAL 39 -11.332 -8.799 -2.205 283 2HG1 VAL 39 2HG1 VAL 39 -12.315 -9.631 -1.000 284 3HG1 VAL 39 3HG1 VAL 39 -11.631 -8.047 -0.638 285 1HG2 VAL 39 3HG2 VAL 39 -9.193 -10.941 -1.974 286 2HG2 VAL 39 1HG2 VAL 39 -9.766 -11.751 -0.516 287 3HG2 VAL 39 2HG2 VAL 39 -10.911 -11.292 -1.776 288 H VAL 40 H VAL 40 -8.598 -9.027 -3.343 289 HA VAL 40 HA VAL 40 -9.555 -6.243 -3.651 290 HB VAL 40 HB VAL 40 -7.769 -5.441 -4.539 291 1HG1 VAL 40 1HG2 VAL 40 -6.811 -7.578 -2.921 292 2HG1 VAL 40 2HG2 VAL 40 -5.661 -7.142 -4.177 293 3HG1 VAL 40 3HG2 VAL 40 -6.256 -5.916 -3.059 294 1HG2 VAL 40 2HG1 VAL 40 -7.695 -7.789 -6.245 295 2HG2 VAL 40 3HG1 VAL 40 -7.697 -6.080 -6.652 296 3HG2 VAL 40 1HG1 VAL 40 -6.216 -6.846 -6.087 297 H PHE 41 H PHE 41 -9.896 -5.661 -5.979 298 HA PHE 41 HA PHE 41 -11.109 -7.897 -7.468 299 1HB PHE 41 2HB PHE 41 -12.447 -5.379 -6.508 300 2HB PHE 41 1HB PHE 41 -13.068 -6.266 -7.878 301 HD1 PHE 41 HD2 PHE 41 -13.435 -8.861 -7.521 302 HD2 PHE 41 HD1 PHE 41 -13.071 -5.988 -4.318 303 HE1 PHE 41 HE2 PHE 41 -14.517 -10.467 -5.955 304 HE2 PHE 41 HE1 PHE 41 -14.136 -7.607 -2.751 305 HZ PHE 41 HZ PHE 41 -14.874 -9.840 -3.570 306 H VAL 42 H VAL 42 -10.607 -7.833 -9.511 307 HA VAL 42 HA VAL 42 -9.398 -5.305 -10.520 308 HB VAL 42 HB VAL 42 -8.936 -7.326 -12.401 309 1HG1 VAL 42 2HG2 VAL 42 -7.385 -5.945 -10.243 310 2HG1 VAL 42 3HG2 VAL 42 -6.593 -7.187 -11.212 311 3HG1 VAL 42 1HG2 VAL 42 -7.252 -5.750 -11.993 312 1HG2 VAL 42 3HG1 VAL 42 -9.588 -9.012 -10.696 313 2HG2 VAL 42 1HG1 VAL 42 -7.890 -9.136 -11.139 314 3HG2 VAL 42 2HG1 VAL 42 -8.355 -8.370 -9.620 315 H THR 43 H THR 43 -11.659 -4.530 -10.777 316 HA THR 43 HA THR 43 -13.558 -5.834 -12.514 317 HB THR 43 HB THR 43 -14.942 -3.939 -12.168 318 HG1 THR 43 HG1 THR 43 -12.605 -2.515 -11.432 319 1HG2 THR 43 3HG2 THR 43 -13.669 -5.164 -10.029 320 2HG2 THR 43 1HG2 THR 43 -13.483 -3.447 -9.678 321 3HG2 THR 43 2HG2 THR 43 -15.091 -4.129 -9.921 322 H ARG 44 H ARG 44 -14.526 -3.769 -14.104 323 HA ARG 44 HA ARG 44 -13.231 -4.187 -16.514 324 1HB ARG 44 2HB ARG 44 -14.229 -1.874 -17.184 325 2HB ARG 44 1HB ARG 44 -15.330 -3.171 -16.730 326 1HG ARG 44 1HG ARG 44 -14.618 -1.843 -14.322 327 2HG ARG 44 2HG ARG 44 -14.988 -0.589 -15.502 328 1HD ARG 44 1HD ARG 44 -16.773 -2.985 -15.004 329 2HD ARG 44 2HD ARG 44 -16.986 -1.432 -14.196 330 HE ARG 44 HE ARG 44 -17.171 -1.769 -17.165 331 1HH1 ARG 44 1HH1 ARG 44 -16.912 1.028 -16.216 332 2HH1 ARG 44 2HH1 ARG 44 -18.565 1.514 -16.035 333 1HH2 ARG 44 1HH2 ARG 44 -19.785 -1.730 -15.942 334 2HH2 ARG 44 2HH2 ARG 44 -20.198 -0.048 -15.942 335 H LYS 45 H LYS 45 -12.844 -1.153 -14.608 336 HA LYS 45 HA LYS 45 -10.555 -0.236 -16.067 337 1HB LYS 45 1HB LYS 45 -11.369 0.203 -13.180 338 2HB LYS 45 2HB LYS 45 -10.027 1.027 -13.935 339 1HG LYS 45 1HG LYS 45 -11.628 1.847 -15.706 340 2HG LYS 45 2HG LYS 45 -12.940 1.172 -14.740 341 1HD LYS 45 1HD LYS 45 -12.126 2.571 -12.805 342 2HD LYS 45 2HD LYS 45 -10.996 3.347 -13.916 343 1HE LYS 45 1HE LYS 45 -12.640 4.552 -14.944 344 2HE LYS 45 2HE LYS 45 -13.802 3.228 -14.852 345 1HZ LYS 45 1HZ LYS 45 -14.030 3.698 -12.464 346 2HZ LYS 45 2HZ LYS 45 -13.006 5.042 -12.641 347 3HZ LYS 45 3HZ LYS 45 -14.508 5.009 -13.433 348 H ASN 46 H ASN 46 -11.075 -2.531 -13.520 349 HA ASN 46 HA ASN 46 -9.794 -4.235 -12.676 350 1HB ASN 46 2HB ASN 46 -8.810 -3.793 -15.305 351 2HB ASN 46 1HB ASN 46 -7.405 -3.970 -14.285 352 1HD2 ASN 46 1HD2 ASN 46 -7.769 -7.456 -14.202 353 2HD2 ASN 46 2HD2 ASN 46 -6.789 -6.110 -13.869 354 H ARG 47 H ARG 47 -9.129 -1.128 -12.215 355 HA ARG 47 HA ARG 47 -6.445 -1.169 -11.160 356 1HB ARG 47 1HB ARG 47 -8.881 0.333 -10.123 357 2HB ARG 47 2HB ARG 47 -7.211 0.664 -9.665 358 1HG ARG 47 1HG ARG 47 -6.668 1.531 -11.767 359 2HG ARG 47 2HG ARG 47 -7.982 0.669 -12.570 360 1HD ARG 47 1HD ARG 47 -9.442 2.355 -12.197 361 2HD ARG 47 2HD ARG 47 -8.950 2.505 -10.511 362 HE ARG 47 HE ARG 47 -7.083 3.623 -12.505 363 1HH1 ARG 47 1HH1 ARG 47 -6.575 5.884 -10.641 364 2HH1 ARG 47 2HH1 ARG 47 -7.537 5.124 -9.418 365 1HH2 ARG 47 2HH2 ARG 47 -9.635 5.245 -12.549 366 2HH2 ARG 47 1HH2 ARG 47 -9.616 6.126 -11.057 367 H GLN 48 H GLN 48 -5.797 -1.996 -9.037 368 HA GLN 48 HA GLN 48 -7.497 -4.161 -8.243 369 1HB GLN 48 1HB GLN 48 -4.829 -3.190 -7.438 370 2HB GLN 48 2HB GLN 48 -5.695 -4.148 -6.256 371 1HG GLN 48 1HG GLN 48 -6.063 -5.916 -7.900 372 2HG GLN 48 2HG GLN 48 -5.335 -4.934 -9.164 373 1HE2 GLN 48 1HE2 GLN 48 -2.310 -5.045 -8.673 374 2HE2 GLN 48 2HE2 GLN 48 -2.663 -4.275 -7.202 375 H VAL 49 H VAL 49 -9.352 -3.311 -7.668 376 HA VAL 49 HA VAL 49 -9.666 -1.258 -5.639 377 HB VAL 49 HB VAL 49 -12.011 -2.841 -6.375 378 1HG1 VAL 49 2HG1 VAL 49 -11.273 0.085 -6.501 379 2HG1 VAL 49 3HG1 VAL 49 -12.894 -0.552 -6.794 380 3HG1 VAL 49 1HG1 VAL 49 -12.156 -0.717 -5.201 381 1HG2 VAL 49 2HG2 VAL 49 -10.327 -1.502 -8.492 382 2HG2 VAL 49 3HG2 VAL 49 -11.118 -3.069 -8.576 383 3HG2 VAL 49 1HG2 VAL 49 -12.074 -1.593 -8.672 384 H CYS 50 H CYS 50 -9.148 -1.976 -3.593 385 HA CYS 50 HA CYS 50 -9.328 -4.604 -2.665 386 1HB CYS 50 2HB CYS 50 -8.521 -2.184 -1.597 387 2HB CYS 50 1HB CYS 50 -9.912 -2.583 -0.618 388 H ALA 51 H ALA 51 -10.832 -4.692 -0.422 389 HA ALA 51 HA ALA 51 -13.445 -3.661 -0.586 390 1HB ALA 51 3HB ALA 51 -12.910 -5.993 -2.294 391 2HB ALA 51 1HB ALA 51 -14.296 -6.198 -1.225 392 3HB ALA 51 2HB ALA 51 -14.245 -4.843 -2.351 393 H ASN 52 H ASN 52 -11.344 -4.535 1.345 394 HA ASN 52 HA ASN 52 -11.361 -5.349 3.532 395 1HB ASN 52 1HB ASN 52 -13.682 -4.323 3.464 396 2HB ASN 52 2HB ASN 52 -14.289 -5.928 3.055 397 1HD2 ASN 52 2HD2 ASN 52 -12.515 -5.273 6.704 398 2HD2 ASN 52 1HD2 ASN 52 -13.097 -3.969 5.787 399 HA PRO 53 HA PRO 53 -10.902 -9.685 2.668 400 1HB PRO 53 1HB PRO 53 -9.957 -10.377 5.205 401 2HB PRO 53 2HB PRO 53 -8.960 -9.762 3.877 402 1HG PRO 53 2HG PRO 53 -9.786 -8.401 6.359 403 2HG PRO 53 1HG PRO 53 -8.527 -7.948 5.227 404 1HD PRO 53 1HD PRO 53 -11.128 -6.776 5.488 405 2HD PRO 53 2HD PRO 53 -9.896 -6.374 4.300 406 H GLU 54 H GLU 54 -12.097 -8.932 5.977 407 HA GLU 54 HA GLU 54 -13.846 -11.329 5.838 408 1HB GLU 54 1HB GLU 54 -12.505 -9.817 7.970 409 2HB GLU 54 2HB GLU 54 -14.167 -10.259 8.361 410 1HG GLU 54 1HG GLU 54 -13.737 -12.548 8.202 411 2HG GLU 54 2HG GLU 54 -12.338 -12.313 7.154 412 H LYS 55 H LYS 55 -14.758 -9.225 4.223 413 HA LYS 55 HA LYS 55 -16.873 -7.856 5.782 414 1HB LYS 55 1HB LYS 55 -15.517 -7.377 3.257 415 2HB LYS 55 2HB LYS 55 -17.250 -7.276 3.079 416 1HG LYS 55 1HG LYS 55 -15.934 -5.919 5.409 417 2HG LYS 55 2HG LYS 55 -15.908 -5.144 3.825 418 1HD LYS 55 1HD LYS 55 -18.118 -4.636 3.912 419 2HD LYS 55 2HD LYS 55 -18.544 -6.214 4.572 420 1HE LYS 55 1HE LYS 55 -18.175 -5.539 6.780 421 2HE LYS 55 2HE LYS 55 -17.105 -4.221 6.302 422 1HZ LYS 55 3HZ LYS 55 -19.818 -4.055 5.294 423 2HZ LYS 55 1HZ LYS 55 -19.662 -3.888 6.978 424 3HZ LYS 55 2HZ LYS 55 -18.820 -2.841 5.939 425 H LYS 56 H LYS 56 -16.706 -10.864 5.010 426 HA LYS 56 HA LYS 56 -18.280 -12.527 4.559 427 1HB LYS 56 1HB LYS 56 -19.905 -10.150 5.188 428 2HB LYS 56 2HB LYS 56 -20.728 -11.355 4.196 429 1HG LYS 56 1HG LYS 56 -19.715 -13.053 5.934 430 2HG LYS 56 2HG LYS 56 -19.599 -11.628 6.966 431 1HD LYS 56 1HD LYS 56 -22.111 -11.277 6.123 432 2HD LYS 56 2HD LYS 56 -22.024 -13.027 5.927 433 1HE LYS 56 1HE LYS 56 -20.925 -11.978 8.470 434 2HE LYS 56 2HE LYS 56 -22.669 -11.809 8.273 435 1HZ LYS 56 1HZ LYS 56 -22.609 -14.232 7.566 436 2HZ LYS 56 2HZ LYS 56 -21.046 -14.279 8.227 437 3HZ LYS 56 3HZ LYS 56 -22.375 -13.904 9.216 438 H TRP 57 H TRP 57 -20.047 -10.069 2.729 439 HA TRP 57 HA TRP 57 -20.442 -11.528 0.416 440 1HB TRP 57 1HB TRP 57 -20.836 -9.447 -0.735 441 2HB TRP 57 2HB TRP 57 -21.422 -9.281 0.922 442 HD1 TRP 57 HD1 TRP 57 -20.424 -7.299 2.255 443 HE1 TRP 57 HE1 TRP 57 -18.613 -5.534 1.731 444 HE3 TRP 57 HE3 TRP 57 -18.550 -9.308 -1.990 445 HZ2 TRP 57 HZ2 TRP 57 -16.661 -5.006 -0.344 446 HZ3 TRP 57 HZ3 TRP 57 -16.816 -8.159 -3.292 447 HH2 TRP 57 HH2 TRP 57 -15.877 -6.000 -2.492 448 H VAL 58 H VAL 58 -17.483 -9.760 1.234 449 HA VAL 58 HA VAL 58 -16.242 -9.890 -1.316 450 HB VAL 58 HB VAL 58 -14.069 -10.219 0.192 451 1HG1 VAL 58 3HG1 VAL 58 -15.095 -8.201 -1.117 452 2HG1 VAL 58 1HG1 VAL 58 -15.511 -7.623 0.497 453 3HG1 VAL 58 2HG1 VAL 58 -13.826 -7.929 0.074 454 1HG2 VAL 58 2HG2 VAL 58 -15.609 -10.697 2.186 455 2HG2 VAL 58 3HG2 VAL 58 -14.282 -9.564 2.418 456 3HG2 VAL 58 1HG2 VAL 58 -15.923 -8.964 2.182 457 H ARG 59 H ARG 59 -16.143 -12.286 1.327 458 HA ARG 59 HA ARG 59 -14.526 -14.175 -0.084 459 1HB ARG 59 1HB ARG 59 -16.585 -14.623 2.093 460 2HB ARG 59 2HB ARG 59 -15.430 -15.819 1.557 461 1HG ARG 59 2HG ARG 59 -13.635 -14.713 2.511 462 2HG ARG 59 1HG ARG 59 -14.386 -13.144 2.357 463 1HD ARG 59 1HD ARG 59 -15.041 -13.281 4.505 464 2HD ARG 59 2HD ARG 59 -16.053 -14.661 4.072 465 HE ARG 59 HE ARG 59 -13.438 -15.660 4.374 466 1HH1 ARG 59 1HH2 ARG 59 -15.801 -16.632 6.081 467 2HH1 ARG 59 2HH2 ARG 59 -15.772 -15.581 7.458 468 1HH2 ARG 59 1HH1 ARG 59 -12.719 -14.188 6.619 469 2HH2 ARG 59 2HH1 ARG 59 -13.383 -15.158 7.890 470 H GLU 60 H GLU 60 -17.955 -13.450 -0.140 471 HA GLU 60 HA GLU 60 -18.817 -15.864 -1.451 472 1HB GLU 60 1HB GLU 60 -19.939 -13.131 -1.039 473 2HB GLU 60 2HB GLU 60 -20.634 -14.095 -2.320 474 1HG GLU 60 1HG GLU 60 -20.291 -15.058 0.531 475 2HG GLU 60 2HG GLU 60 -21.793 -14.401 -0.119 476 H TYR 61 H TYR 61 -17.276 -12.930 -2.532 477 HA TYR 61 HA TYR 61 -17.775 -13.513 -5.378 478 1HB TYR 61 1HB TYR 61 -16.335 -11.331 -3.874 479 2HB TYR 61 2HB TYR 61 -16.139 -11.510 -5.617 480 HD1 TYR 61 HD2 TYR 61 -19.049 -11.818 -3.233 481 HD2 TYR 61 HD1 TYR 61 -17.464 -10.005 -6.818 482 HE1 TYR 61 HE2 TYR 61 -21.217 -10.647 -3.598 483 HE2 TYR 61 HE1 TYR 61 -19.632 -8.828 -7.178 484 HH TYR 61 HH TYR 61 -21.856 -8.830 -6.553 485 H ILE 62 H ILE 62 -15.173 -13.811 -3.000 486 HA ILE 62 HA ILE 62 -13.002 -14.283 -4.716 487 HB ILE 62 HB ILE 62 -13.060 -14.109 -2.144 488 1HG1 ILE 62 1HG1 ILE 62 -11.356 -16.298 -3.349 489 2HG1 ILE 62 2HG1 ILE 62 -11.072 -14.575 -3.592 490 1HG2 ILE 62 3HG2 ILE 62 -14.490 -16.507 -2.388 491 2HG2 ILE 62 1HG2 ILE 62 -12.892 -16.994 -1.828 492 3HG2 ILE 62 2HG2 ILE 62 -13.832 -15.823 -0.904 493 1HD1 ILE 62 2HD1 ILE 62 -11.448 -15.075 -0.786 494 2HD1 ILE 62 3HD1 ILE 62 -10.219 -16.178 -1.407 495 3HD1 ILE 62 1HD1 ILE 62 -10.023 -14.437 -1.606 496 H ASN 63 H ASN 63 -15.770 -16.271 -4.062 497 HA ASN 63 HA ASN 63 -14.513 -18.493 -5.620 498 1HB ASN 63 1HB ASN 63 -16.635 -18.489 -3.477 499 2HB ASN 63 2HB ASN 63 -16.447 -19.842 -4.566 500 1HD2 ASN 63 1HD2 ASN 63 -13.865 -21.232 -3.740 501 2HD2 ASN 63 2HD2 ASN 63 -15.099 -21.376 -2.583 502 H SER 64 H SER 64 -17.109 -16.187 -5.474 503 HA SER 64 HA SER 64 -18.657 -17.551 -7.580 504 1HB SER 64 1HB SER 64 -19.043 -14.874 -6.218 505 2HB SER 64 2HB SER 64 -20.153 -15.568 -7.374 506 HG SER 64 HG SER 64 -20.784 -17.016 -5.956 507 H LEU 65 H LEU 65 -15.820 -16.132 -7.815 508 HA LEU 65 HA LEU 65 -16.537 -14.462 -10.186 509 1HB LEU 65 1HB LEU 65 -14.514 -14.214 -8.074 510 2HB LEU 65 2HB LEU 65 -13.863 -14.006 -9.682 511 HG LEU 65 HG LEU 65 -16.426 -12.622 -9.046 512 1HD1 LEU 65 3HD1 LEU 65 -14.676 -12.320 -7.129 513 2HD1 LEU 65 1HD1 LEU 65 -13.804 -11.342 -8.309 514 3HD1 LEU 65 2HD1 LEU 65 -15.434 -10.884 -7.817 515 1HD2 LEU 65 2HD2 LEU 65 -15.034 -12.673 -11.271 516 2HD2 LEU 65 3HD2 LEU 65 -15.726 -11.147 -10.719 517 3HD2 LEU 65 1HD2 LEU 65 -14.019 -11.491 -10.445 518 H GLU 66 H GLU 66 -14.375 -17.022 -9.009 519 HA GLU 66 HA GLU 66 -13.364 -17.487 -11.746 520 1HB GLU 66 1HB GLU 66 -11.870 -17.639 -9.718 521 2HB GLU 66 2HB GLU 66 -12.789 -19.060 -9.219 522 1HG GLU 66 1HG GLU 66 -12.260 -19.834 -11.712 523 2HG GLU 66 2HG GLU 66 -10.900 -18.728 -11.516 524 H MET 67 H MET 67 -15.140 -18.326 -12.887 525 HA MET 67 HA MET 67 -16.567 -20.030 -13.642 526 1HB MET 67 1HB MET 67 -14.405 -21.354 -12.629 527 2HB MET 67 2HB MET 67 -15.694 -22.001 -11.615 528 1HG MET 67 1HG MET 67 -16.966 -22.665 -13.586 529 2HG MET 67 2HG MET 67 -15.781 -21.904 -14.646 530 1HE MET 67 3HE MET 67 -16.070 -23.998 -15.821 531 2HE MET 67 2HE MET 67 -15.086 -25.440 -15.573 532 3HE MET 67 1HE MET 67 -16.638 -25.279 -14.749 533 H SER 68 H SER 68 -18.693 -20.451 -13.134 534 HA SER 68 HA SER 68 -19.531 -20.902 -10.366 535 1HB SER 68 1HB SER 68 -20.018 -18.290 -11.779 536 2HB SER 68 2HB SER 68 -21.198 -18.898 -10.618 537 HG SER 68 HG SER 68 -19.433 -19.084 -9.122 538 H SER 1 H SER 1 -9.988 13.938 2.429 539 HA SER 1 HA SER 1 -7.332 13.720 1.104 540 1HB SER 1 1HB SER 1 -8.451 11.937 3.200 541 2HB SER 1 2HB SER 1 -7.711 11.136 1.814 542 HG SER 1 HG SER 1 -6.272 11.696 3.600 543 HA PRO 2 HA PRO 2 -9.585 12.321 -2.379 544 1HB PRO 2 1HB PRO 2 -7.921 10.038 -2.963 545 2HB PRO 2 2HB PRO 2 -7.895 11.625 -3.739 546 1HG PRO 2 1HG PRO 2 -5.953 10.519 -1.911 547 2HG PRO 2 2HG PRO 2 -5.927 12.106 -2.688 548 1HD PRO 2 1HD PRO 2 -6.467 11.499 0.080 549 2HD PRO 2 2HD PRO 2 -6.441 13.091 -0.700 550 H TYR 3 H TYR 3 -10.959 10.527 -3.133 551 HA TYR 3 HA TYR 3 -11.609 8.643 -0.914 552 1HB TYR 3 1HB TYR 3 -13.229 9.680 -3.252 553 2HB TYR 3 2HB TYR 3 -13.780 8.367 -2.211 554 HD1 TYR 3 HD2 TYR 3 -13.154 9.022 0.461 555 HD2 TYR 3 HD1 TYR 3 -14.241 11.722 -2.729 556 HE1 TYR 3 HE2 TYR 3 -13.944 10.688 2.140 557 HE2 TYR 3 HE1 TYR 3 -15.030 13.388 -1.050 558 HH TYR 3 HH TYR 3 -14.352 13.801 1.596 559 H SER 4 H SER 4 -9.410 7.818 -2.248 560 HA SER 4 HA SER 4 -9.970 6.229 -4.595 561 1HB SER 4 1HB SER 4 -7.681 7.080 -3.412 562 2HB SER 4 2HB SER 4 -7.727 5.416 -2.831 563 HG SER 4 HG SER 4 -6.795 6.074 -5.064 564 H SER 5 H SER 5 -9.336 3.733 -4.378 565 HA SER 5 HA SER 5 -10.114 2.379 -1.952 566 1HB SER 5 1HB SER 5 -12.177 1.350 -3.388 567 2HB SER 5 2HB SER 5 -12.364 2.678 -2.242 568 HG SER 5 HG SER 5 -12.655 2.676 -4.919 569 H ASP 6 H ASP 6 -7.944 2.174 -3.721 570 HA ASP 6 HA ASP 6 -8.306 -0.622 -4.670 571 1HB ASP 6 2HB ASP 6 -7.185 -0.134 -6.776 572 2HB ASP 6 1HB ASP 6 -8.563 0.925 -6.621 573 H THR 7 H THR 7 -5.627 -0.682 -5.808 574 HA THR 7 HA THR 7 -4.203 -0.908 -3.252 575 HB THR 7 HB THR 7 -2.414 -1.967 -4.720 576 HG1 THR 7 HG1 THR 7 -2.756 -1.296 -6.713 577 1HG2 THR 7 3HG2 THR 7 -5.243 -3.016 -4.599 578 2HG2 THR 7 1HG2 THR 7 -3.928 -3.979 -5.273 579 3HG2 THR 7 2HG2 THR 7 -3.869 -3.462 -3.588 580 H THR 8 H THR 8 -1.613 -0.411 -3.836 581 HA THR 8 HA THR 8 -1.276 2.101 -5.288 582 HB THR 8 HB THR 8 -1.038 2.081 -2.260 583 HG1 THR 8 HG1 THR 8 -2.774 3.490 -4.003 584 1HG2 THR 8 1HG2 THR 8 0.603 3.460 -3.799 585 2HG2 THR 8 2HG2 THR 8 -0.797 4.510 -4.010 586 3HG2 THR 8 3HG2 THR 8 -0.140 4.229 -2.397 587 HA PRO 9 HA PRO 9 2.690 0.225 -5.674 588 1HB PRO 9 1HB PRO 9 3.929 2.821 -6.060 589 2HB PRO 9 2HB PRO 9 3.590 1.579 -7.271 590 1HG PRO 9 2HG PRO 9 2.207 4.077 -6.894 591 2HG PRO 9 1HG PRO 9 1.839 2.814 -8.070 592 1HD PRO 9 1HD PRO 9 0.359 3.526 -5.728 593 2HD PRO 9 2HD PRO 9 -0.003 2.260 -6.892 594 H CYS 10 H CYS 10 2.841 -0.309 -3.389 595 HA CYS 10 HA CYS 10 4.342 1.705 -1.772 596 1HB CYS 10 2HB CYS 10 2.171 1.100 -0.785 597 2HB CYS 10 1HB CYS 10 2.607 -0.606 -0.848 598 H CYS 11 H CYS 11 6.245 1.109 -0.850 599 HA CYS 11 HA CYS 11 7.272 -1.534 -1.717 600 1HB CYS 11 2HB CYS 11 9.092 -0.459 -2.429 601 2HB CYS 11 1HB CYS 11 8.343 1.065 -1.998 602 H PHE 12 H PHE 12 7.509 -3.050 -0.123 603 HA PHE 12 HA PHE 12 7.318 -2.137 2.691 604 1HB PHE 12 2HB PHE 12 6.875 -4.462 3.238 605 2HB PHE 12 1HB PHE 12 5.865 -4.005 1.869 606 HD1 PHE 12 HD1 PHE 12 8.922 -5.855 2.897 607 HD2 PHE 12 HD2 PHE 12 6.181 -4.988 -0.325 608 HE1 PHE 12 HE1 PHE 12 9.921 -7.700 1.551 609 HE2 PHE 12 HE2 PHE 12 7.183 -6.833 -1.671 610 HZ PHE 12 HZ PHE 12 9.052 -8.188 -0.733 611 H ALA 13 H ALA 13 9.515 -3.927 0.549 612 HA ALA 13 HA ALA 13 11.595 -3.699 2.687 613 1HB ALA 13 3HB ALA 13 11.131 -5.838 0.602 614 2HB ALA 13 1HB ALA 13 12.671 -5.666 1.444 615 3HB ALA 13 2HB ALA 13 11.204 -6.031 2.353 616 H TYR 14 H TYR 14 13.353 -2.531 2.190 617 HA TYR 14 HA TYR 14 13.678 -1.790 -0.662 618 1HB TYR 14 2HB TYR 14 15.044 0.181 0.426 619 2HB TYR 14 1HB TYR 14 13.285 0.263 0.335 620 HD1 TYR 14 HD1 TYR 14 11.894 -0.369 2.327 621 HD2 TYR 14 HD2 TYR 14 16.186 0.023 2.534 622 HE1 TYR 14 HE1 TYR 14 11.767 -0.327 4.805 623 HE2 TYR 14 HE2 TYR 14 16.060 0.080 5.018 624 HH TYR 14 HH TYR 14 13.389 -0.881 6.753 625 H ILE 15 H ILE 15 15.753 -1.932 -1.583 626 HA ILE 15 HA ILE 15 17.598 -3.738 -0.189 627 HB ILE 15 HB ILE 15 17.186 -4.011 -2.605 628 1HG1 ILE 15 2HG1 ILE 15 19.934 -3.140 -2.879 629 2HG1 ILE 15 1HG1 ILE 15 19.690 -3.915 -1.313 630 1HG2 ILE 15 3HG2 ILE 15 17.222 -1.252 -2.657 631 2HG2 ILE 15 1HG2 ILE 15 18.771 -1.664 -3.393 632 3HG2 ILE 15 2HG2 ILE 15 17.274 -2.290 -4.082 633 1HD1 ILE 15 1HD1 ILE 15 18.820 -5.100 -3.967 634 2HD1 ILE 15 2HD1 ILE 15 20.305 -5.536 -3.121 635 3HD1 ILE 15 3HD1 ILE 15 18.738 -5.883 -2.389 636 H ALA 16 H ALA 16 19.332 -3.066 0.983 637 HA ALA 16 HA ALA 16 19.916 -0.193 1.148 638 1HB ALA 16 2HB ALA 16 19.890 -1.723 3.157 639 2HB ALA 16 3HB ALA 16 21.346 -2.486 2.520 640 3HB ALA 16 1HB ALA 16 21.372 -0.784 2.984 641 H ARG 17 H ARG 17 20.753 0.132 -1.012 642 HA ARG 17 HA ARG 17 23.564 0.041 -1.241 643 1HB ARG 17 1HB ARG 17 22.362 -2.480 -1.770 644 2HB ARG 17 2HB ARG 17 22.902 -1.829 -3.316 645 1HG ARG 17 1HG ARG 17 24.965 -1.271 -1.455 646 2HG ARG 17 2HG ARG 17 24.485 -2.945 -1.178 647 1HD ARG 17 1HD ARG 17 24.727 -3.403 -3.601 648 2HD ARG 17 2HD ARG 17 25.240 -1.734 -3.856 649 HE ARG 17 HE ARG 17 27.180 -2.318 -2.279 650 1HH1 ARG 17 2HH1 ARG 17 27.902 -4.530 -1.412 651 2HH1 ARG 17 1HH1 ARG 17 28.019 -5.767 -2.619 652 1HH2 ARG 17 1HH2 ARG 17 26.075 -4.632 -4.816 653 2HH2 ARG 17 2HH2 ARG 17 27.794 -4.552 -5.016 654 HA PRO 18 HA PRO 18 21.845 2.989 -4.176 655 1HB PRO 18 1HB PRO 18 24.526 3.511 -5.104 656 2HB PRO 18 2HB PRO 18 23.486 4.561 -4.155 657 1HG PRO 18 2HG PRO 18 25.792 3.107 -3.251 658 2HG PRO 18 1HG PRO 18 24.727 4.113 -2.292 659 1HD PRO 18 2HD PRO 18 24.942 1.248 -2.246 660 2HD PRO 18 1HD PRO 18 23.836 2.266 -1.303 661 H LEU 19 H LEU 19 20.893 1.967 -5.868 662 HA LEU 19 HA LEU 19 22.110 -0.125 -7.406 663 1HB LEU 19 1HB LEU 19 19.847 1.675 -8.316 664 2HB LEU 19 2HB LEU 19 20.179 0.025 -8.838 665 HG LEU 19 HG LEU 19 19.326 0.889 -6.057 666 1HD1 LEU 19 2HD1 LEU 19 17.612 0.806 -7.960 667 2HD1 LEU 19 3HD1 LEU 19 17.900 -0.934 -8.000 668 3HD1 LEU 19 1HD1 LEU 19 17.254 -0.181 -6.542 669 1HD2 LEU 19 3HD2 LEU 19 20.632 -1.533 -7.071 670 2HD2 LEU 19 1HD2 LEU 19 20.404 -0.994 -5.407 671 3HD2 LEU 19 2HD2 LEU 19 19.113 -1.865 -6.237 672 HA PRO 20 HA PRO 20 24.635 2.058 -10.255 673 1HB PRO 20 1HB PRO 20 23.755 0.555 -12.563 674 2HB PRO 20 2HB PRO 20 25.254 0.362 -11.647 675 1HG PRO 20 1HG PRO 20 22.963 -1.388 -11.663 676 2HG PRO 20 2HG PRO 20 24.453 -1.569 -10.730 677 1HD PRO 20 1HD PRO 20 21.833 -0.830 -9.766 678 2HD PRO 20 2HD PRO 20 23.326 -1.022 -8.827 679 H ARG 21 H ARG 21 23.935 4.107 -10.752 680 HA ARG 21 HA ARG 21 21.378 4.927 -11.512 681 1HB ARG 21 1HB ARG 21 23.609 6.274 -11.008 682 2HB ARG 21 2HB ARG 21 23.722 6.309 -12.751 683 1HG ARG 21 1HG ARG 21 21.084 6.985 -11.535 684 2HG ARG 21 2HG ARG 21 22.374 8.180 -11.400 685 1HD ARG 21 1HD ARG 21 21.610 6.876 -14.023 686 2HD ARG 21 2HD ARG 21 20.906 8.394 -13.469 687 HE ARG 21 HE ARG 21 23.512 9.024 -13.308 688 1HH1 ARG 21 1HH1 ARG 21 24.807 7.137 -15.031 689 2HH1 ARG 21 2HH1 ARG 21 24.909 8.261 -16.345 690 1HH2 ARG 21 2HH2 ARG 21 21.495 8.630 -16.062 691 2HH2 ARG 21 1HH2 ARG 21 22.797 9.490 -16.813 692 H ALA 22 H ALA 22 23.929 3.600 -13.553 693 HA ALA 22 HA ALA 22 22.677 4.279 -16.060 694 1HB ALA 22 2HB ALA 22 24.848 2.404 -15.192 695 2HB ALA 22 3HB ALA 22 24.159 2.212 -16.804 696 3HB ALA 22 1HB ALA 22 24.919 3.736 -16.345 697 H HIS 23 H HIS 23 22.570 1.376 -13.996 698 HA HIS 23 HA HIS 23 20.936 -0.143 -15.819 699 1HB HIS 23 2HB HIS 23 21.197 -0.398 -12.808 700 2HB HIS 23 1HB HIS 23 20.501 -1.606 -13.884 701 HD2 HIS 23 HD2 HIS 23 23.706 0.070 -15.284 702 HE1 HIS 23 HE1 HIS 23 24.822 -3.724 -13.790 703 HE2 HIS 23 HE2 HIS 23 25.600 -1.718 -15.149 704 H ILE 24 H ILE 24 20.227 2.319 -13.425 705 HA ILE 24 HA ILE 24 17.373 1.666 -13.340 706 HB ILE 24 HB ILE 24 18.633 4.253 -12.468 707 1HG1 ILE 24 2HG1 ILE 24 18.282 1.728 -10.837 708 2HG1 ILE 24 1HG1 ILE 24 19.832 2.328 -11.431 709 1HG2 ILE 24 1HG2 ILE 24 16.028 2.873 -12.111 710 2HG2 ILE 24 2HG2 ILE 24 16.662 3.746 -10.718 711 3HG2 ILE 24 3HG2 ILE 24 16.379 4.597 -12.236 712 1HD1 ILE 24 1HD1 ILE 24 18.376 4.440 -10.082 713 2HD1 ILE 24 2HD1 ILE 24 18.536 3.038 -9.025 714 3HD1 ILE 24 3HD1 ILE 24 19.975 3.790 -9.715 715 H LYS 25 H LYS 25 15.748 3.248 -13.982 716 HA LYS 25 HA LYS 25 16.554 4.751 -16.429 717 1HB LYS 25 2HB LYS 25 14.680 2.565 -16.042 718 2HB LYS 25 1HB LYS 25 13.901 3.944 -16.732 719 1HG LYS 25 1HG LYS 25 16.457 3.589 -17.997 720 2HG LYS 25 2HG LYS 25 15.554 2.077 -18.059 721 1HD LYS 25 1HD LYS 25 14.486 2.969 -19.844 722 2HD LYS 25 2HD LYS 25 13.631 3.977 -18.677 723 1HE LYS 25 1HE LYS 25 16.204 5.140 -19.148 724 2HE LYS 25 2HE LYS 25 15.459 4.803 -20.710 725 1HZ LYS 25 1HZ LYS 25 13.433 5.915 -19.875 726 2HZ LYS 25 2HZ LYS 25 14.280 6.352 -18.469 727 3HZ LYS 25 3HZ LYS 25 14.773 6.954 -19.978 728 H GLU 26 H GLU 26 14.705 4.662 -13.475 729 HA GLU 26 HA GLU 26 14.231 7.503 -13.541 730 1HB GLU 26 1HB GLU 26 11.593 6.734 -13.193 731 2HB GLU 26 2HB GLU 26 12.240 7.457 -14.649 732 1HG GLU 26 1HG GLU 26 12.605 4.525 -14.456 733 2HG GLU 26 2HG GLU 26 10.934 5.058 -14.529 734 H TYR 27 H TYR 27 12.086 7.490 -11.614 735 HA TYR 27 HA TYR 27 12.555 5.557 -9.561 736 1HB TYR 27 2HB TYR 27 13.674 7.088 -7.945 737 2HB TYR 27 1HB TYR 27 14.683 6.775 -9.333 738 HD1 TYR 27 HD1 TYR 27 14.661 8.451 -11.282 739 HD2 TYR 27 HD2 TYR 27 12.983 9.311 -7.397 740 HE1 TYR 27 HE1 TYR 27 14.662 10.884 -11.820 741 HE2 TYR 27 HE2 TYR 27 12.991 11.746 -7.935 742 HH TYR 27 HH TYR 27 12.927 13.090 -10.392 743 H PHE 28 H PHE 28 11.049 5.941 -7.770 744 HA PHE 28 HA PHE 28 9.415 8.370 -8.038 745 1HB PHE 28 2HB PHE 28 8.164 7.005 -9.488 746 2HB PHE 28 1HB PHE 28 8.449 5.569 -8.541 747 HD1 PHE 28 HD1 PHE 28 7.307 5.290 -6.303 748 HD2 PHE 28 HD2 PHE 28 6.264 8.426 -9.078 749 HE1 PHE 28 HE1 PHE 28 5.160 5.639 -5.096 750 HE2 PHE 28 HE2 PHE 28 4.107 8.772 -7.875 751 HZ PHE 28 HZ PHE 28 3.553 7.376 -5.884 752 H TYR 29 H TYR 29 9.162 9.174 -5.984 753 HA TYR 29 HA TYR 29 9.756 7.553 -3.666 754 1HB TYR 29 2HB TYR 29 10.100 10.020 -3.775 755 2HB TYR 29 1HB TYR 29 8.368 10.233 -3.747 756 HD1 TYR 29 HD2 TYR 29 7.068 9.087 -1.786 757 HD2 TYR 29 HD1 TYR 29 11.317 9.844 -1.765 758 HE1 TYR 29 HE2 TYR 29 7.089 8.909 0.702 759 HE2 TYR 29 HE1 TYR 29 11.339 9.665 0.719 760 HH TYR 29 HH TYR 29 8.470 9.666 2.590 761 H THR 30 H THR 30 8.395 6.461 -2.346 762 HA THR 30 HA THR 30 5.724 5.838 -3.268 763 HB THR 30 HB THR 30 7.016 5.264 -0.585 764 HG1 THR 30 HG1 THR 30 6.815 3.720 -2.955 765 1HG2 THR 30 3HG2 THR 30 4.448 4.469 -1.896 766 2HG2 THR 30 1HG2 THR 30 5.293 3.257 -0.932 767 3HG2 THR 30 2HG2 THR 30 4.790 4.776 -0.193 768 H SER 31 H SER 31 3.935 7.063 -2.944 769 HA SER 31 HA SER 31 3.852 9.479 -1.509 770 1HB SER 31 1HB SER 31 2.094 8.150 -3.113 771 2HB SER 31 2HB SER 31 1.318 7.950 -1.541 772 HG SER 31 HG SER 31 0.620 9.874 -2.376 773 H GLY 32 H GLY 32 2.065 9.703 0.386 774 1HA GLY 32 1HA GLY 32 3.114 7.998 2.576 775 2HA GLY 32 2HA GLY 32 2.254 9.523 2.785 776 H LYS 33 H LYS 33 1.472 6.492 1.040 777 HA LYS 33 HA LYS 33 -1.252 6.620 2.209 778 1HB LYS 33 2HB LYS 33 -0.025 4.953 0.001 779 2HB LYS 33 1HB LYS 33 -1.661 4.687 0.605 780 1HG LYS 33 2HG LYS 33 -2.156 7.106 0.106 781 2HG LYS 33 1HG LYS 33 -0.574 7.216 -0.665 782 1HD LYS 33 2HD LYS 33 -1.209 5.930 -2.466 783 2HD LYS 33 1HD LYS 33 -2.343 4.971 -1.514 784 1HE LYS 33 1HE LYS 33 -3.407 6.563 -3.193 785 2HE LYS 33 2HE LYS 33 -3.977 6.727 -1.532 786 1HZ LYS 33 2HZ LYS 33 -1.833 8.380 -2.749 787 2HZ LYS 33 3HZ LYS 33 -3.451 8.868 -2.589 788 3HZ LYS 33 1HZ LYS 33 -2.510 8.578 -1.205 789 H CYS 34 H CYS 34 1.202 4.070 1.657 790 HA CYS 34 HA CYS 34 0.077 2.498 3.877 791 1HB CYS 34 2HB CYS 34 1.870 0.866 3.266 792 2HB CYS 34 1HB CYS 34 0.840 1.292 1.899 793 H SER 35 H SER 35 1.717 1.607 5.528 794 HA SER 35 HA SER 35 3.176 3.913 6.655 795 1HB SER 35 1HB SER 35 3.190 1.218 7.953 796 2HB SER 35 2HB SER 35 3.066 2.816 8.689 797 HG SER 35 HG SER 35 1.084 1.299 7.381 798 H ASN 36 H ASN 36 4.515 3.324 4.436 799 HA ASN 36 HA ASN 36 7.030 2.169 5.454 800 1HB ASN 36 2HB ASN 36 5.383 0.463 4.131 801 2HB ASN 36 1HB ASN 36 6.262 1.144 2.784 802 1HD2 ASN 36 2HD2 ASN 36 8.150 -1.352 5.387 803 2HD2 ASN 36 1HD2 ASN 36 6.678 -0.639 5.844 804 HA PRO 37 HA PRO 37 7.208 5.911 2.608 805 1HB PRO 37 1HB PRO 37 9.109 7.017 4.488 806 2HB PRO 37 2HB PRO 37 7.508 7.636 4.067 807 1HG PRO 37 2HG PRO 37 8.307 6.335 6.512 808 2HG PRO 37 1HG PRO 37 6.700 6.932 6.083 809 1HD PRO 37 1HD PRO 37 7.581 4.191 6.258 810 2HD PRO 37 2HD PRO 37 5.969 4.790 5.825 811 H ALA 38 H ALA 38 8.938 6.193 1.149 812 HA ALA 38 HA ALA 38 11.660 5.487 1.682 813 1HB ALA 38 3HB ALA 38 10.573 3.198 1.767 814 2HB ALA 38 1HB ALA 38 10.146 3.412 0.069 815 3HB ALA 38 2HB ALA 38 11.841 3.357 0.551 816 H VAL 39 H VAL 39 12.175 4.446 -1.021 817 HA VAL 39 HA VAL 39 11.081 6.549 -2.761 818 HB VAL 39 HB VAL 39 13.441 7.081 -1.543 819 1HG1 VAL 39 1HG1 VAL 39 14.199 5.700 -4.130 820 2HG1 VAL 39 2HG1 VAL 39 15.285 6.669 -3.134 821 3HG1 VAL 39 3HG1 VAL 39 14.626 5.158 -2.508 822 1HG2 VAL 39 3HG2 VAL 39 12.117 7.878 -4.034 823 2HG2 VAL 39 1HG2 VAL 39 12.760 8.871 -2.724 824 3HG2 VAL 39 2HG2 VAL 39 13.838 8.259 -3.981 825 H VAL 40 H VAL 40 11.422 5.907 -5.050 826 HA VAL 40 HA VAL 40 11.948 2.966 -5.158 827 HB VAL 40 HB VAL 40 9.951 4.590 -6.714 828 1HG1 VAL 40 3HG1 VAL 40 10.657 1.716 -6.765 829 2HG1 VAL 40 1HG1 VAL 40 9.040 2.274 -7.183 830 3HG1 VAL 40 2HG1 VAL 40 10.430 2.845 -8.098 831 1HG2 VAL 40 1HG2 VAL 40 9.525 4.279 -4.233 832 2HG2 VAL 40 2HG2 VAL 40 8.260 3.688 -5.309 833 3HG2 VAL 40 3HG2 VAL 40 9.391 2.554 -4.572 834 H PHE 41 H PHE 41 12.451 2.162 -7.327 835 HA PHE 41 HA PHE 41 13.671 4.115 -9.152 836 1HB PHE 41 1HB PHE 41 15.051 1.750 -7.906 837 2HB PHE 41 2HB PHE 41 15.592 2.426 -9.424 838 HD1 PHE 41 HD2 PHE 41 15.951 5.041 -9.477 839 HD2 PHE 41 HD1 PHE 41 15.817 2.664 -5.877 840 HE1 PHE 41 HE2 PHE 41 17.122 6.854 -8.236 841 HE2 PHE 41 HE1 PHE 41 16.958 4.491 -4.632 842 HZ PHE 41 HZ PHE 41 17.638 6.578 -5.813 843 H VAL 42 H VAL 42 12.998 3.777 -11.116 844 HA VAL 42 HA VAL 42 11.751 1.133 -11.688 845 HB VAL 42 HB VAL 42 11.148 2.864 -13.796 846 1HG1 VAL 42 2HG2 VAL 42 9.758 1.812 -11.364 847 2HG1 VAL 42 3HG2 VAL 42 8.895 2.913 -12.439 848 3HG1 VAL 42 1HG2 VAL 42 9.504 1.376 -13.057 849 1HG2 VAL 42 3HG1 VAL 42 11.908 4.776 -12.405 850 2HG2 VAL 42 1HG1 VAL 42 10.184 4.843 -12.746 851 3HG2 VAL 42 2HG1 VAL 42 10.752 4.305 -11.165 852 H THR 43 H THR 43 13.984 0.315 -11.987 853 HA THR 43 HA THR 43 15.752 1.360 -14.012 854 HB THR 43 HB THR 43 17.165 -0.477 -13.508 855 HG1 THR 43 HG1 THR 43 14.888 -1.771 -12.425 856 1HG2 THR 43 3HG2 THR 43 16.040 1.040 -11.476 857 2HG2 THR 43 1HG2 THR 43 15.885 -0.611 -10.877 858 3HG2 THR 43 2HG2 THR 43 17.470 0.021 -11.323 859 H ARG 44 H ARG 44 16.617 -0.904 -15.366 860 HA ARG 44 HA ARG 44 15.152 -0.798 -17.711 861 1HB ARG 44 2HB ARG 44 16.120 -3.187 -18.142 862 2HB ARG 44 1HB ARG 44 17.243 -1.846 -17.936 863 1HG ARG 44 1HG ARG 44 16.703 -2.843 -15.332 864 2HG ARG 44 2HG ARG 44 16.991 -4.244 -16.358 865 1HD ARG 44 1HD ARG 44 18.807 -1.821 -16.314 866 2HD ARG 44 2HD ARG 44 19.072 -3.246 -15.309 867 HE ARG 44 HE ARG 44 19.057 -3.339 -18.301 868 1HH1 ARG 44 1HH1 ARG 44 18.876 -5.970 -16.948 869 2HH1 ARG 44 2HH1 ARG 44 20.539 -6.433 -16.812 870 1HH2 ARG 44 1HH2 ARG 44 21.747 -3.214 -17.254 871 2HH2 ARG 44 2HH2 ARG 44 22.167 -4.882 -17.047 872 H LYS 45 H LYS 45 14.921 -3.559 -15.395 873 HA LYS 45 HA LYS 45 12.544 -4.661 -16.553 874 1HB LYS 45 2HB LYS 45 13.557 -4.699 -13.695 875 2HB LYS 45 1HB LYS 45 12.168 -5.611 -14.233 876 1HG LYS 45 1HG LYS 45 13.643 -6.683 -15.977 877 2HG LYS 45 2HG LYS 45 15.017 -5.889 -15.209 878 1HD LYS 45 1HD LYS 45 14.340 -6.997 -13.044 879 2HD LYS 45 2HD LYS 45 13.141 -7.914 -13.958 880 1HE LYS 45 1HE LYS 45 14.716 -9.260 -14.914 881 2HE LYS 45 2HE LYS 45 15.878 -7.944 -15.087 882 1HZ LYS 45 1HZ LYS 45 16.266 -8.077 -12.676 883 2HZ LYS 45 2HZ LYS 45 15.238 -9.426 -12.596 884 3HZ LYS 45 3HZ LYS 45 16.683 -9.512 -13.484 885 H ASN 46 H ASN 46 13.223 -2.038 -14.391 886 HA ASN 46 HA ASN 46 11.993 -0.229 -13.700 887 1HB ASN 46 1HB ASN 46 10.841 -1.021 -16.176 888 2HB ASN 46 2HB ASN 46 9.504 -0.703 -15.100 889 1HD2 ASN 46 1HD2 ASN 46 9.850 2.760 -15.512 890 2HD2 ASN 46 2HD2 ASN 46 8.905 1.473 -14.934 891 H ARG 47 H ARG 47 11.378 -3.243 -12.779 892 HA ARG 47 HA ARG 47 8.768 -3.052 -11.568 893 1HB ARG 47 1HB ARG 47 11.278 -4.402 -10.497 894 2HB ARG 47 2HB ARG 47 9.644 -4.657 -9.883 895 1HG ARG 47 1HG ARG 47 8.962 -5.807 -11.799 896 2HG ARG 47 2HG ARG 47 10.214 -5.075 -12.804 897 1HD ARG 47 1HD ARG 47 11.703 -6.699 -12.296 898 2HD ARG 47 2HD ARG 47 11.327 -6.607 -10.575 899 HE ARG 47 HE ARG 47 9.333 -7.984 -12.261 900 1HH1 ARG 47 1HH1 ARG 47 8.962 -9.956 -10.067 901 2HH1 ARG 47 2HH1 ARG 47 10.001 -9.037 -9.030 902 1HH2 ARG 47 2HH2 ARG 47 11.886 -9.608 -12.246 903 2HH2 ARG 47 1HH2 ARG 47 11.970 -10.270 -10.648 904 H GLN 48 H GLN 48 8.258 -1.950 -9.538 905 HA GLN 48 HA GLN 48 9.983 0.306 -9.167 906 1HB GLN 48 2HB GLN 48 7.378 -0.555 -8.078 907 2HB GLN 48 1HB GLN 48 8.298 0.555 -7.087 908 1HG GLN 48 1HG GLN 48 8.568 2.076 -9.005 909 2HG GLN 48 2HG GLN 48 7.738 0.932 -10.049 910 1HE2 GLN 48 1HE2 GLN 48 4.770 1.163 -9.360 911 2HE2 GLN 48 2HE2 GLN 48 5.223 0.602 -7.824 912 H VAL 49 H VAL 49 11.884 -0.475 -8.612 913 HA VAL 49 HA VAL 49 12.340 -2.218 -6.334 914 HB VAL 49 HB VAL 49 14.630 -0.763 -7.421 915 1HG1 VAL 49 2HG1 VAL 49 13.882 -3.675 -7.094 916 2HG1 VAL 49 3HG1 VAL 49 15.482 -3.109 -7.581 917 3HG1 VAL 49 1HG1 VAL 49 14.855 -2.711 -5.980 918 1HG2 VAL 49 2HG2 VAL 49 12.820 -2.358 -9.236 919 2HG2 VAL 49 3HG2 VAL 49 13.618 -0.830 -9.579 920 3HG2 VAL 49 1HG2 VAL 49 14.554 -2.319 -9.527 921 H CYS 50 H CYS 50 12.077 -1.294 -4.341 922 HA CYS 50 HA CYS 50 12.212 1.484 -3.844 923 1HB CYS 50 1HB CYS 50 11.492 -0.741 -2.375 924 2HB CYS 50 2HB CYS 50 12.942 -0.210 -1.558 925 H ALA 51 H ALA 51 13.855 1.900 -1.728 926 HA ALA 51 HA ALA 51 16.468 0.871 -1.928 927 1HB ALA 51 3HB ALA 51 15.771 2.928 -3.910 928 2HB ALA 51 1HB ALA 51 17.228 3.296 -2.985 929 3HB ALA 51 2HB ALA 51 17.121 1.791 -3.897 930 H ASN 52 H ASN 52 14.486 2.007 0.001 931 HA ASN 52 HA ASN 52 14.642 3.120 2.045 932 1HB ASN 52 1HB ASN 52 16.959 2.087 1.967 933 2HB ASN 52 2HB ASN 52 17.528 3.617 1.298 934 1HD2 ASN 52 2HD2 ASN 52 16.005 3.483 5.112 935 2HD2 ASN 52 1HD2 ASN 52 16.530 2.061 4.348 936 HA PRO 53 HA PRO 53 14.103 7.297 0.622 937 1HB PRO 53 1HB PRO 53 13.330 8.339 3.097 938 2HB PRO 53 2HB PRO 53 12.247 7.549 1.939 939 1HG PRO 53 1HG PRO 53 13.246 6.544 4.524 940 2HG PRO 53 2HG PRO 53 11.917 5.943 3.555 941 1HD PRO 53 2HD PRO 53 14.536 4.807 3.796 942 2HD PRO 53 1HD PRO 53 13.228 4.249 2.763 943 H GLU 54 H GLU 54 15.523 7.007 3.914 944 HA GLU 54 HA GLU 54 17.249 9.353 3.326 945 1HB GLU 54 1HB GLU 54 16.062 8.159 5.733 946 2HB GLU 54 2HB GLU 54 17.744 8.644 5.946 947 1HG GLU 54 1HG GLU 54 17.292 10.890 5.498 948 2HG GLU 54 2HG GLU 54 15.827 10.517 4.589 949 H LYS 55 H LYS 55 18.059 7.040 1.961 950 HA LYS 55 HA LYS 55 20.281 5.892 3.550 951 1HB LYS 55 2HB LYS 55 18.760 5.072 1.212 952 2HB LYS 55 1HB LYS 55 20.478 4.938 0.935 953 1HG LYS 55 1HG LYS 55 19.326 3.925 3.514 954 2HG LYS 55 2HG LYS 55 19.198 2.938 2.058 955 1HD LYS 55 1HD LYS 55 21.410 2.435 2.069 956 2HD LYS 55 2HD LYS 55 21.872 4.089 2.470 957 1HE LYS 55 1HE LYS 55 21.656 3.729 4.771 958 2HE LYS 55 2HE LYS 55 20.562 2.362 4.554 959 1HZ LYS 55 3HZ LYS 55 23.202 2.045 3.400 960 2HZ LYS 55 1HZ LYS 55 23.160 2.114 5.097 961 3HZ LYS 55 2HZ LYS 55 22.255 0.937 4.272 962 H LYS 56 H LYS 56 20.048 8.763 2.379 963 HA LYS 56 HA LYS 56 21.580 10.339 1.596 964 1HB LYS 56 1HB LYS 56 23.254 8.066 2.437 965 2HB LYS 56 2HB LYS 56 24.003 9.116 1.235 966 1HG LYS 56 1HG LYS 56 23.102 11.044 2.785 967 2HG LYS 56 2HG LYS 56 23.062 9.777 4.011 968 1HD LYS 56 1HD LYS 56 25.512 9.300 3.057 969 2HD LYS 56 2HD LYS 56 25.405 11.007 2.625 970 1HE LYS 56 1HE LYS 56 24.483 10.326 5.358 971 2HE LYS 56 2HE LYS 56 26.212 10.124 5.071 972 1HZ LYS 56 1HZ LYS 56 26.092 12.425 4.038 973 2HZ LYS 56 2HZ LYS 56 24.577 12.571 4.790 974 3HZ LYS 56 3HZ LYS 56 25.971 12.332 5.729 975 H TRP 57 H TRP 57 23.229 7.641 0.009 976 HA TRP 57 HA TRP 57 23.459 8.767 -2.505 977 1HB TRP 57 1HB TRP 57 23.783 6.544 -3.383 978 2HB TRP 57 2HB TRP 57 24.485 6.609 -1.764 979 HD1 TRP 57 HD1 TRP 57 23.592 4.835 -0.100 980 HE1 TRP 57 HE1 TRP 57 21.759 3.022 -0.245 981 HE3 TRP 57 HE3 TRP 57 21.419 6.238 -4.444 982 HZ2 TRP 57 HZ2 TRP 57 19.672 2.216 -2.087 983 HZ3 TRP 57 HZ3 TRP 57 19.606 4.926 -5.450 984 HH2 TRP 57 HH2 TRP 57 18.737 2.904 -4.294 985 H VAL 58 H VAL 58 20.572 7.142 -1.251 986 HA VAL 58 HA VAL 58 19.161 6.922 -3.704 987 HB VAL 58 HB VAL 58 17.093 7.466 -2.113 988 1HG1 VAL 58 3HG1 VAL 58 18.041 5.283 -3.195 989 2HG1 VAL 58 1HG1 VAL 58 18.564 4.932 -1.548 990 3HG1 VAL 58 2HG1 VAL 58 16.853 5.185 -1.900 991 1HG2 VAL 58 2HG2 VAL 58 18.765 8.210 -0.314 992 2HG2 VAL 58 3HG2 VAL 58 17.459 7.128 0.162 993 3HG2 VAL 58 1HG2 VAL 58 19.082 6.491 -0.099 994 H ARG 59 H ARG 59 19.232 9.662 -1.421 995 HA ARG 59 HA ARG 59 17.515 11.346 -2.968 996 1HB ARG 59 2HB ARG 59 19.714 12.081 -1.017 997 2HB ARG 59 1HB ARG 59 18.520 13.195 -1.636 998 1HG ARG 59 1HG ARG 59 16.798 12.243 -0.419 999 2HG ARG 59 2HG ARG 59 17.544 10.663 -0.404 1000 1HD ARG 59 1HD ARG 59 18.341 11.094 1.656 1001 2HD ARG 59 2HD ARG 59 19.315 12.395 0.969 1002 HE ARG 59 HE ARG 59 16.721 13.440 1.302 1003 1HH1 ARG 59 1HH2 ARG 59 19.190 14.628 2.695 1004 2HH1 ARG 59 2HH2 ARG 59 19.258 13.780 4.203 1005 1HH2 ARG 59 1HH1 ARG 59 16.162 12.298 3.774 1006 2HH2 ARG 59 2HH1 ARG 59 16.906 13.433 4.851 1007 H GLU 60 H GLU 60 20.933 10.599 -3.151 1008 HA GLU 60 HA GLU 60 21.701 12.801 -4.840 1009 1HB GLU 60 2HB GLU 60 22.851 10.148 -4.116 1010 2HB GLU 60 1HB GLU 60 23.458 10.907 -5.567 1011 1HG GLU 60 1HG GLU 60 23.310 12.272 -2.868 1012 2HG GLU 60 2HG GLU 60 24.766 11.524 -3.524 1013 H TYR 61 H TYR 61 20.096 9.757 -5.397 1014 HA TYR 61 HA TYR 61 20.403 9.936 -8.324 1015 1HB TYR 61 1HB TYR 61 19.079 7.991 -6.438 1016 2HB TYR 61 2HB TYR 61 18.764 7.927 -8.172 1017 HD1 TYR 61 HD2 TYR 61 21.827 8.549 -6.055 1018 HD2 TYR 61 HD1 TYR 61 20.012 6.262 -9.236 1019 HE1 TYR 61 HE2 TYR 61 23.970 7.327 -6.399 1020 HE2 TYR 61 HE1 TYR 61 22.155 5.035 -9.574 1021 HH TYR 61 HH TYR 61 24.417 5.112 -9.107 1022 H ILE 62 H ILE 62 17.968 10.578 -5.840 1023 HA ILE 62 HA ILE 62 15.682 10.811 -7.456 1024 HB ILE 62 HB ILE 62 15.913 10.998 -4.895 1025 1HG1 ILE 62 1HG1 ILE 62 14.122 13.007 -6.275 1026 2HG1 ILE 62 2HG1 ILE 62 13.831 11.267 -6.257 1027 1HG2 ILE 62 3HG2 ILE 62 17.313 13.331 -5.566 1028 2HG2 ILE 62 1HG2 ILE 62 15.753 13.900 -4.973 1029 3HG2 ILE 62 2HG2 ILE 62 16.759 12.865 -3.960 1030 1HD1 ILE 62 2HD1 ILE 62 14.391 12.151 -3.580 1031 2HD1 ILE 62 3HD1 ILE 62 13.118 13.162 -4.265 1032 3HD1 ILE 62 1HD1 ILE 62 12.917 11.411 -4.206 1033 H ASN 63 H ASN 63 18.479 12.859 -7.274 1034 HA ASN 63 HA ASN 63 17.109 14.848 -9.039 1035 1HB ASN 63 2HB ASN 63 19.370 15.133 -7.064 1036 2HB ASN 63 1HB ASN 63 19.103 16.320 -8.316 1037 1HD2 ASN 63 1HD2 ASN 63 16.575 17.826 -7.518 1038 2HD2 ASN 63 2HD2 ASN 63 17.885 18.124 -6.480 1039 H SER 64 H SER 64 19.718 12.572 -8.748 1040 HA SER 64 HA SER 64 21.115 13.620 -11.123 1041 1HB SER 64 2HB SER 64 21.605 11.158 -9.429 1042 2HB SER 64 1HB SER 64 22.631 11.679 -10.744 1043 HG SER 64 HG SER 64 23.349 13.307 -9.586 1044 H LEU 65 H LEU 65 18.275 12.197 -10.963 1045 HA LEU 65 HA LEU 65 18.837 10.208 -13.121 1046 1HB LEU 65 2HB LEU 65 16.964 10.267 -10.862 1047 2HB LEU 65 1HB LEU 65 16.204 9.843 -12.376 1048 HG LEU 65 HG LEU 65 18.810 8.545 -11.730 1049 1HD1 LEU 65 3HD1 LEU 65 17.197 8.523 -9.676 1050 2HD1 LEU 65 1HD1 LEU 65 16.250 7.393 -10.644 1051 3HD1 LEU 65 2HD1 LEU 65 17.914 7.002 -10.206 1052 1HD2 LEU 65 2HD2 LEU 65 17.271 8.293 -13.841 1053 2HD2 LEU 65 3HD2 LEU 65 18.006 6.855 -13.130 1054 3HD2 LEU 65 1HD2 LEU 65 16.319 7.243 -12.792 1055 H GLU 66 H GLU 66 16.750 12.920 -12.171 1056 HA GLU 66 HA GLU 66 15.554 13.002 -14.872 1057 1HB GLU 66 1HB GLU 66 14.199 13.443 -12.789 1058 2HB GLU 66 2HB GLU 66 15.143 14.915 -12.557 1059 1HG GLU 66 1HG GLU 66 14.444 15.337 -15.092 1060 2HG GLU 66 2HG GLU 66 13.107 14.276 -14.652 1061 H MET 67 H MET 67 17.245 13.665 -16.237 1062 HA MET 67 HA MET 67 18.611 15.241 -17.315 1063 1HB MET 67 1HB MET 67 16.516 16.703 -16.353 1064 2HB MET 67 2HB MET 67 17.868 17.480 -15.530 1065 1HG MET 67 1HG MET 67 19.002 17.857 -17.653 1066 2HG MET 67 2HG MET 67 17.751 16.960 -18.515 1067 1HE MET 67 3HE MET 67 17.951 18.869 -19.987 1068 2HE MET 67 2HE MET 67 16.979 20.336 -19.877 1069 3HE MET 67 1HE MET 67 18.583 20.284 -19.146 1070 H SER 68 H SER 68 20.764 15.719 -17.016 1071 HA SER 68 HA SER 68 21.785 16.547 -14.400 1072 1HB SER 68 1HB SER 68 22.187 13.762 -15.465 1073 2HB SER 68 2HB SER 68 23.441 14.519 -14.483 1074 HG SER 68 HG SER 68 21.778 14.920 -12.911 No H/Q in entry = 1074 Start of MODEL 9 1 H SER 1 H SER 1 10.848 -17.678 1.210 2 HA SER 1 HA SER 1 12.366 -17.915 -1.260 3 1HB SER 1 1HB SER 1 9.741 -16.714 -0.455 4 2HB SER 1 2HB SER 1 10.458 -16.227 -1.992 5 HG SER 1 HG SER 1 9.066 -18.091 -2.111 6 HA PRO 2 HA PRO 2 14.766 -14.252 -1.087 7 1HB PRO 2 1HB PRO 2 14.228 -13.452 -3.805 8 2HB PRO 2 2HB PRO 2 15.668 -14.263 -3.178 9 1HG PRO 2 1HG PRO 2 13.578 -15.390 -4.820 10 2HG PRO 2 2HG PRO 2 15.017 -16.202 -4.192 11 1HD PRO 2 1HD PRO 2 12.280 -16.531 -3.337 12 2HD PRO 2 2HD PRO 2 13.724 -17.348 -2.707 13 H TYR 3 H TYR 3 13.965 -12.496 -0.010 14 HA TYR 3 HA TYR 3 11.328 -11.439 -0.407 15 1HB TYR 3 1HB TYR 3 13.789 -10.448 1.028 16 2HB TYR 3 2HB TYR 3 12.348 -9.438 0.906 17 HD1 TYR 3 HD2 TYR 3 13.438 -12.902 1.880 18 HD2 TYR 3 HD1 TYR 3 10.586 -9.710 2.446 19 HE1 TYR 3 HE2 TYR 3 12.395 -14.168 3.758 20 HE2 TYR 3 HE1 TYR 3 9.543 -10.975 4.324 21 HH TYR 3 HH TYR 3 10.890 -13.263 5.976 22 H SER 4 H SER 4 14.502 -10.536 -1.687 23 HA SER 4 HA SER 4 15.084 -9.043 -3.400 24 1HB SER 4 1HB SER 4 12.915 -10.487 -4.292 25 2HB SER 4 2HB SER 4 12.360 -8.825 -4.495 26 HG SER 4 HG SER 4 13.479 -9.440 -6.326 27 H SER 5 H SER 5 14.067 -6.871 -4.506 28 HA SER 5 HA SER 5 12.659 -5.312 -2.400 29 1HB SER 5 1HB SER 5 15.177 -4.348 -3.788 30 2HB SER 5 2HB SER 5 14.273 -3.502 -2.532 31 HG SER 5 HG SER 5 14.874 -5.025 -1.065 32 H ASP 6 H ASP 6 10.820 -4.954 -3.629 33 HA ASP 6 HA ASP 6 11.112 -3.141 -5.927 34 1HB ASP 6 2HB ASP 6 9.843 -4.562 -7.470 35 2HB ASP 6 1HB ASP 6 11.285 -5.420 -6.932 36 H THR 7 H THR 7 8.449 -3.390 -6.858 37 HA THR 7 HA THR 7 7.096 -2.177 -4.541 38 HB THR 7 HB THR 7 5.327 -1.754 -6.478 39 HG1 THR 7 HG1 THR 7 6.259 -1.760 -8.468 40 1HG2 THR 7 2HG2 THR 7 8.008 -0.370 -6.185 41 2HG2 THR 7 3HG2 THR 7 6.655 0.297 -7.099 42 3HG2 THR 7 1HG2 THR 7 6.504 0.041 -5.361 43 H THR 8 H THR 8 4.475 -2.637 -4.924 44 HA THR 8 HA THR 8 3.877 -5.414 -5.550 45 HB THR 8 HB THR 8 3.644 -4.608 -2.639 46 HG1 THR 8 HG1 THR 8 5.764 -4.805 -2.825 47 1HG2 THR 8 2HG2 THR 8 2.218 -6.464 -3.796 48 2HG2 THR 8 3HG2 THR 8 3.719 -7.390 -3.787 49 3HG2 THR 8 1HG2 THR 8 3.014 -6.838 -2.268 50 HA PRO 9 HA PRO 9 0.101 -3.116 -6.177 51 1HB PRO 9 1HB PRO 9 -1.316 -5.604 -6.567 52 2HB PRO 9 2HB PRO 9 -0.807 -4.442 -7.799 53 1HG PRO 9 1HG PRO 9 0.323 -7.039 -7.261 54 2HG PRO 9 2HG PRO 9 0.834 -5.887 -8.473 55 1HD PRO 9 1HD PRO 9 2.172 -6.593 -6.048 56 2HD PRO 9 2HD PRO 9 2.687 -5.438 -7.267 57 H CYS 10 H CYS 10 -0.809 -2.383 -4.275 58 HA CYS 10 HA CYS 10 -2.254 -4.340 -2.590 59 1HB CYS 10 1HB CYS 10 0.139 -2.763 -1.765 60 2HB CYS 10 2HB CYS 10 -1.144 -2.964 -0.599 61 H CYS 11 H CYS 11 -3.831 -3.399 -1.251 62 HA CYS 11 HA CYS 11 -4.578 -0.661 -2.109 63 1HB CYS 11 1HB CYS 11 -6.475 -1.866 -2.593 64 2HB CYS 11 2HB CYS 11 -6.097 -3.116 -1.419 65 H PHE 12 H PHE 12 -5.140 0.892 -0.444 66 HA PHE 12 HA PHE 12 -3.989 0.189 2.223 67 1HB PHE 12 1HB PHE 12 -3.711 2.649 2.516 68 2HB PHE 12 2HB PHE 12 -2.826 2.034 1.120 69 HD1 PHE 12 HD1 PHE 12 -3.590 2.489 -1.178 70 HD2 PHE 12 HD2 PHE 12 -5.695 4.052 2.252 71 HE1 PHE 12 HE1 PHE 12 -4.846 4.051 -2.661 72 HE2 PHE 12 HE2 PHE 12 -6.959 5.607 0.769 73 HZ PHE 12 HZ PHE 12 -6.531 5.609 -1.688 74 H ALA 13 H ALA 13 -6.760 1.672 0.598 75 HA ALA 13 HA ALA 13 -8.300 1.326 3.130 76 1HB ALA 13 2HB ALA 13 -7.721 3.738 2.803 77 2HB ALA 13 3HB ALA 13 -8.555 3.690 1.249 78 3HB ALA 13 1HB ALA 13 -9.458 3.439 2.743 79 H TYR 14 H TYR 14 -10.404 0.583 2.844 80 HA TYR 14 HA TYR 14 -11.061 -0.073 0.030 81 1HB TYR 14 2HB TYR 14 -12.619 -1.826 1.295 82 2HB TYR 14 1HB TYR 14 -10.964 -2.190 0.908 83 HD1 TYR 14 HD1 TYR 14 -9.141 -1.644 2.694 84 HD2 TYR 14 HD2 TYR 14 -13.378 -1.863 3.512 85 HE1 TYR 14 HE1 TYR 14 -8.662 -1.861 5.118 86 HE2 TYR 14 HE2 TYR 14 -12.892 -2.086 5.945 87 HH TYR 14 HH TYR 14 -9.606 -1.750 7.211 88 H ILE 15 H ILE 15 -13.247 0.190 -0.678 89 HA ILE 15 HA ILE 15 -14.646 2.395 0.556 90 HB ILE 15 HB ILE 15 -14.752 1.946 -1.876 91 1HG1 ILE 15 1HG1 ILE 15 -17.529 1.520 -0.794 92 2HG1 ILE 15 2HG1 ILE 15 -16.668 3.025 -0.472 93 1HG2 ILE 15 2HG2 ILE 15 -15.261 -0.694 -0.990 94 2HG2 ILE 15 3HG2 ILE 15 -16.723 -0.158 -1.819 95 3HG2 ILE 15 1HG2 ILE 15 -15.172 -0.124 -2.657 96 1HD1 ILE 15 1HD1 ILE 15 -16.474 2.223 -3.274 97 2HD1 ILE 15 2HD1 ILE 15 -18.146 2.444 -2.762 98 3HD1 ILE 15 3HD1 ILE 15 -16.988 3.763 -2.585 99 H ALA 16 H ALA 16 -16.973 2.199 1.271 100 HA ALA 16 HA ALA 16 -17.262 -0.236 2.959 101 1HB ALA 16 1HB ALA 16 -18.418 2.549 3.116 102 2HB ALA 16 2HB ALA 16 -19.040 1.221 4.097 103 3HB ALA 16 3HB ALA 16 -17.364 1.739 4.275 104 H ARG 17 H ARG 17 -18.001 -1.446 1.017 105 HA ARG 17 HA ARG 17 -20.766 -1.861 0.929 106 1HB ARG 17 2HB ARG 17 -20.034 0.508 -0.494 107 2HB ARG 17 1HB ARG 17 -20.541 -0.703 -1.672 108 1HG ARG 17 1HG ARG 17 -22.702 -0.569 -1.020 109 2HG ARG 17 2HG ARG 17 -22.269 -0.651 0.688 110 1HD ARG 17 1HD ARG 17 -22.516 1.576 0.918 111 2HD ARG 17 2HD ARG 17 -21.439 1.882 -0.445 112 HE ARG 17 HE ARG 17 -24.364 1.337 -0.771 113 1HH1 ARG 17 2HH1 ARG 17 -21.498 3.368 -2.028 114 2HH1 ARG 17 1HH1 ARG 17 -22.763 4.453 -1.557 115 1HH2 ARG 17 2HH2 ARG 17 -24.872 1.882 -3.011 116 2HH2 ARG 17 1HH2 ARG 17 -23.777 2.926 -3.854 117 HA PRO 18 HA PRO 18 -18.710 -5.246 -1.088 118 1HB PRO 18 2HB PRO 18 -21.192 -6.455 -1.847 119 2HB PRO 18 1HB PRO 18 -20.141 -6.912 -0.527 120 1HG PRO 18 2HG PRO 18 -22.690 -5.558 -0.371 121 2HG PRO 18 1HG PRO 18 -21.663 -6.101 0.960 122 1HD PRO 18 1HD PRO 18 -22.099 -3.403 0.095 123 2HD PRO 18 2HD PRO 18 -21.003 -3.959 1.369 124 H LEU 19 H LEU 19 -19.247 -6.528 -3.300 125 HA LEU 19 HA LEU 19 -19.874 -4.440 -5.343 126 1HB LEU 19 1HB LEU 19 -17.857 -6.675 -5.572 127 2HB LEU 19 2HB LEU 19 -18.133 -5.412 -6.746 128 HG LEU 19 HG LEU 19 -17.098 -5.049 -3.925 129 1HD1 LEU 19 1HD1 LEU 19 -15.739 -5.818 -6.200 130 2HD1 LEU 19 2HD1 LEU 19 -15.528 -4.067 -6.204 131 3HD1 LEU 19 3HD1 LEU 19 -15.011 -5.015 -4.809 132 1HD2 LEU 19 1HD2 LEU 19 -18.343 -3.204 -5.821 133 2HD2 LEU 19 2HD2 LEU 19 -17.952 -2.961 -4.119 134 3HD2 LEU 19 3HD2 LEU 19 -16.722 -2.689 -5.354 135 HA PRO 20 HA PRO 20 -22.951 -7.521 -6.452 136 1HB PRO 20 1HB PRO 20 -23.351 -6.200 -8.990 137 2HB PRO 20 2HB PRO 20 -24.411 -6.181 -7.576 138 1HG PRO 20 1HG PRO 20 -22.769 -4.033 -8.567 139 2HG PRO 20 2HG PRO 20 -23.793 -4.030 -7.126 140 1HD PRO 20 1HD PRO 20 -20.905 -4.119 -7.261 141 2HD PRO 20 2HD PRO 20 -21.931 -4.070 -5.815 142 H ARG 21 H ARG 21 -22.971 -9.307 -7.935 143 HA ARG 21 HA ARG 21 -20.413 -10.002 -9.058 144 1HB ARG 21 1HB ARG 21 -22.232 -11.593 -8.216 145 2HB ARG 21 2HB ARG 21 -23.044 -11.317 -9.738 146 1HG ARG 21 2HG ARG 21 -21.767 -13.013 -10.534 147 2HG ARG 21 1HG ARG 21 -20.452 -11.837 -10.537 148 1HD ARG 21 1HD ARG 21 -19.516 -12.678 -8.597 149 2HD ARG 21 2HD ARG 21 -21.065 -13.237 -7.967 150 HE ARG 21 HE ARG 21 -19.244 -14.869 -9.388 151 1HH1 ARG 21 2HH1 ARG 21 -22.319 -15.531 -8.205 152 2HH1 ARG 21 1HH1 ARG 21 -23.125 -15.056 -9.662 153 1HH2 ARG 21 2HH2 ARG 21 -20.231 -15.825 -11.502 154 2HH2 ARG 21 1HH2 ARG 21 -21.588 -16.794 -11.036 155 H ALA 22 H ALA 22 -22.994 -8.113 -10.295 156 HA ALA 22 HA ALA 22 -22.205 -8.678 -13.102 157 1HB ALA 22 3HB ALA 22 -24.667 -8.354 -12.123 158 2HB ALA 22 1HB ALA 22 -24.294 -6.655 -12.416 159 3HB ALA 22 2HB ALA 22 -24.247 -7.811 -13.748 160 H HIS 23 H HIS 23 -20.790 -6.933 -10.859 161 HA HIS 23 HA HIS 23 -20.276 -4.653 -12.722 162 1HB HIS 23 1HB HIS 23 -20.417 -4.533 -9.695 163 2HB HIS 23 2HB HIS 23 -19.976 -3.194 -10.753 164 HD2 HIS 23 HD2 HIS 23 -23.157 -5.625 -10.833 165 HE1 HIS 23 HE1 HIS 23 -24.410 -1.616 -11.307 166 HE2 HIS 23 HE2 HIS 23 -25.196 -4.032 -11.157 167 H ILE 24 H ILE 24 -18.924 -7.312 -11.150 168 HA ILE 24 HA ILE 24 -16.270 -5.957 -11.100 169 HB ILE 24 HB ILE 24 -16.635 -8.649 -9.894 170 1HG1 ILE 24 2HG1 ILE 24 -17.276 -6.134 -8.358 171 2HG1 ILE 24 1HG1 ILE 24 -18.527 -7.167 -9.051 172 1HG2 ILE 24 3HG2 ILE 24 -14.677 -6.550 -9.966 173 2HG2 ILE 24 1HG2 ILE 24 -15.141 -6.866 -8.296 174 3HG2 ILE 24 2HG2 ILE 24 -14.527 -8.177 -9.301 175 1HD1 ILE 24 2HD1 ILE 24 -17.038 -9.040 -7.796 176 2HD1 ILE 24 3HD1 ILE 24 -16.694 -7.659 -6.754 177 3HD1 ILE 24 1HD1 ILE 24 -18.359 -8.190 -6.994 178 H LYS 25 H LYS 25 -14.430 -7.611 -11.550 179 HA LYS 25 HA LYS 25 -15.224 -9.403 -13.799 180 1HB LYS 25 1HB LYS 25 -13.859 -7.060 -14.163 181 2HB LYS 25 2HB LYS 25 -12.533 -8.199 -13.954 182 1HG LYS 25 1HG LYS 25 -12.837 -8.658 -16.158 183 2HG LYS 25 2HG LYS 25 -14.228 -9.595 -15.614 184 1HD LYS 25 1HD LYS 25 -15.747 -7.961 -16.239 185 2HD LYS 25 2HD LYS 25 -14.582 -6.653 -16.038 186 1HE LYS 25 1HE LYS 25 -13.603 -7.027 -18.120 187 2HE LYS 25 2HE LYS 25 -14.106 -8.717 -18.165 188 1HZ LYS 25 3HZ LYS 25 -16.092 -6.533 -18.211 189 2HZ LYS 25 1HZ LYS 25 -15.336 -7.057 -19.640 190 3HZ LYS 25 2HZ LYS 25 -16.268 -8.143 -18.725 191 H GLU 26 H GLU 26 -12.795 -8.665 -11.260 192 HA GLU 26 HA GLU 26 -12.440 -11.523 -10.826 193 1HB GLU 26 1HB GLU 26 -10.708 -11.665 -12.242 194 2HB GLU 26 2HB GLU 26 -10.687 -9.961 -12.528 195 1HG GLU 26 2HG GLU 26 -8.617 -10.135 -11.651 196 2HG GLU 26 1HG GLU 26 -9.438 -10.033 -10.116 197 H TYR 27 H TYR 27 -10.558 -11.638 -9.009 198 HA TYR 27 HA TYR 27 -10.781 -9.255 -7.312 199 1HB TYR 27 2HB TYR 27 -11.608 -10.391 -5.442 200 2HB TYR 27 1HB TYR 27 -12.459 -11.208 -6.746 201 HD1 TYR 27 HD2 TYR 27 -11.783 -13.472 -7.506 202 HD2 TYR 27 HD1 TYR 27 -9.831 -11.519 -4.187 203 HE1 TYR 27 HE2 TYR 27 -10.746 -15.639 -6.842 204 HE2 TYR 27 HE1 TYR 27 -8.781 -13.683 -3.532 205 HH TYR 27 HH TYR 27 -8.242 -15.815 -4.425 206 H PHE 28 H PHE 28 -9.069 -9.628 -5.350 207 HA PHE 28 HA PHE 28 -6.910 -11.395 -6.168 208 1HB PHE 28 1HB PHE 28 -6.420 -9.607 -7.696 209 2HB PHE 28 2HB PHE 28 -6.630 -8.395 -6.437 210 HD1 PHE 28 HD2 PHE 28 -4.503 -11.318 -7.436 211 HD2 PHE 28 HD1 PHE 28 -4.813 -7.718 -5.074 212 HE1 PHE 28 HE2 PHE 28 -2.097 -11.519 -6.812 213 HE2 PHE 28 HE1 PHE 28 -2.415 -7.926 -4.438 214 HZ PHE 28 HZ PHE 28 -1.052 -9.822 -5.314 215 H TYR 29 H TYR 29 -7.378 -12.134 -3.948 216 HA TYR 29 HA TYR 29 -7.257 -10.536 -1.632 217 1HB TYR 29 1HB TYR 29 -7.906 -12.880 -1.527 218 2HB TYR 29 2HB TYR 29 -6.312 -13.379 -2.026 219 HD1 TYR 29 HD1 TYR 29 -7.727 -11.009 0.538 220 HD2 TYR 29 HD2 TYR 29 -4.984 -14.233 -0.306 221 HE1 TYR 29 HE1 TYR 29 -6.961 -10.976 2.906 222 HE2 TYR 29 HE2 TYR 29 -4.215 -14.199 2.063 223 HH TYR 29 HH TYR 29 -5.460 -13.342 4.396 224 H THR 30 H THR 30 -5.619 -9.603 -0.518 225 HA THR 30 HA THR 30 -3.086 -9.134 -1.756 226 HB THR 30 HB THR 30 -3.707 -8.893 1.200 227 HG1 THR 30 HG1 THR 30 -5.269 -7.748 0.213 228 1HG2 THR 30 3HG2 THR 30 -1.808 -7.397 -0.635 229 2HG2 THR 30 1HG2 THR 30 -2.040 -7.074 1.084 230 3HG2 THR 30 2HG2 THR 30 -1.339 -8.605 0.562 231 H SER 31 H SER 31 -0.950 -9.825 -0.897 232 HA SER 31 HA SER 31 -0.956 -12.705 -0.346 233 1HB SER 31 1HB SER 31 0.760 -12.104 -1.829 234 2HB SER 31 2HB SER 31 1.161 -10.645 -0.922 235 HG SER 31 HG SER 31 2.682 -11.919 -0.192 236 H GLY 32 H GLY 32 1.263 -10.411 1.188 237 1HA GLY 32 1HA GLY 32 0.201 -10.310 3.781 238 2HA GLY 32 2HA GLY 32 1.135 -11.805 3.707 239 H LYS 33 H LYS 33 1.457 -8.347 2.847 240 HA LYS 33 HA LYS 33 3.812 -7.919 4.388 241 1HB LYS 33 1HB LYS 33 5.490 -7.836 2.535 242 2HB LYS 33 2HB LYS 33 4.894 -9.469 2.832 243 1HG LYS 33 1HG LYS 33 3.319 -9.253 0.966 244 2HG LYS 33 2HG LYS 33 3.826 -7.603 0.697 245 1HD LYS 33 1HD LYS 33 4.945 -9.133 -0.879 246 2HD LYS 33 2HD LYS 33 6.106 -8.376 0.184 247 1HE LYS 33 1HE LYS 33 6.554 -10.330 1.322 248 2HE LYS 33 2HE LYS 33 4.925 -10.960 1.082 249 1HZ LYS 33 1HZ LYS 33 5.849 -10.833 -1.434 250 2HZ LYS 33 2HZ LYS 33 7.268 -11.221 -0.585 251 3HZ LYS 33 3HZ LYS 33 5.904 -12.224 -0.462 252 H CYS 34 H CYS 34 1.416 -6.524 3.792 253 HA CYS 34 HA CYS 34 2.548 -4.091 2.481 254 1HB CYS 34 2HB CYS 34 0.045 -5.595 1.865 255 2HB CYS 34 1HB CYS 34 -0.030 -3.835 1.799 256 H SER 35 H SER 35 1.303 -5.333 5.301 257 HA SER 35 HA SER 35 0.346 -4.334 7.200 258 1HB SER 35 1HB SER 35 2.102 -2.421 5.993 259 2HB SER 35 2HB SER 35 0.682 -1.565 6.593 260 HG SER 35 HG SER 35 2.607 -3.035 7.972 261 H ASN 36 H ASN 36 -1.176 -4.598 4.564 262 HA ASN 36 HA ASN 36 -3.558 -3.090 5.432 263 1HB ASN 36 2HB ASN 36 -2.370 -2.726 2.668 264 2HB ASN 36 1HB ASN 36 -3.890 -2.064 3.220 265 1HD2 ASN 36 1HD2 ASN 36 -0.622 0.078 3.862 266 2HD2 ASN 36 2HD2 ASN 36 -0.766 -1.145 2.693 267 HA PRO 37 HA PRO 37 -3.921 -7.431 3.585 268 1HB PRO 37 1HB PRO 37 -5.618 -8.021 5.863 269 2HB PRO 37 2HB PRO 37 -4.085 -8.778 5.413 270 1HG PRO 37 1HG PRO 37 -4.554 -6.946 7.573 271 2HG PRO 37 2HG PRO 37 -3.026 -7.651 7.091 272 1HD PRO 37 1HD PRO 37 -3.888 -4.923 6.762 273 2HD PRO 37 2HD PRO 37 -2.341 -5.639 6.270 274 H ALA 38 H ALA 38 -5.611 -7.722 2.184 275 HA ALA 38 HA ALA 38 -8.348 -7.043 2.841 276 1HB ALA 38 3HB ALA 38 -6.909 -4.841 2.183 277 2HB ALA 38 1HB ALA 38 -7.410 -5.368 0.576 278 3HB ALA 38 2HB ALA 38 -8.622 -5.016 1.807 279 H VAL 39 H VAL 39 -9.085 -6.514 0.066 280 HA VAL 39 HA VAL 39 -8.078 -8.815 -1.446 281 HB VAL 39 HB VAL 39 -10.252 -9.191 0.180 282 1HG1 VAL 39 2HG1 VAL 39 -11.649 -7.676 -1.165 283 2HG1 VAL 39 3HG1 VAL 39 -11.378 -8.712 -2.568 284 3HG1 VAL 39 1HG1 VAL 39 -12.247 -9.334 -1.165 285 1HG2 VAL 39 2HG2 VAL 39 -9.238 -10.543 -2.258 286 2HG2 VAL 39 3HG2 VAL 39 -9.284 -11.110 -0.585 287 3HG2 VAL 39 1HG2 VAL 39 -10.758 -11.105 -1.555 288 H VAL 40 H VAL 40 -8.050 -8.209 -3.552 289 HA VAL 40 HA VAL 40 -9.239 -5.548 -4.051 290 HB VAL 40 HB VAL 40 -6.845 -6.965 -5.168 291 1HG1 VAL 40 2HG1 VAL 40 -8.582 -5.026 -6.539 292 2HG1 VAL 40 3HG1 VAL 40 -6.892 -4.538 -6.453 293 3HG1 VAL 40 1HG1 VAL 40 -7.331 -6.073 -7.202 294 1HG2 VAL 40 2HG2 VAL 40 -7.440 -4.293 -3.880 295 2HG2 VAL 40 3HG2 VAL 40 -6.539 -5.637 -3.175 296 3HG2 VAL 40 1HG2 VAL 40 -5.858 -4.733 -4.529 297 H PHE 41 H PHE 41 -11.095 -5.542 -5.058 298 HA PHE 41 HA PHE 41 -11.699 -7.683 -6.991 299 1HB PHE 41 2HB PHE 41 -13.288 -5.731 -5.400 300 2HB PHE 41 1HB PHE 41 -13.957 -6.229 -6.930 301 HD1 PHE 41 HD2 PHE 41 -12.748 -7.429 -3.625 302 HD2 PHE 41 HD1 PHE 41 -14.832 -8.469 -7.254 303 HE1 PHE 41 HE2 PHE 41 -13.533 -9.549 -2.575 304 HE2 PHE 41 HE1 PHE 41 -15.629 -10.571 -6.204 305 HZ PHE 41 HZ PHE 41 -15.003 -11.102 -3.849 306 H VAL 42 H VAL 42 -10.766 -7.256 -8.874 307 HA VAL 42 HA VAL 42 -10.476 -4.587 -9.962 308 HB VAL 42 HB VAL 42 -10.225 -6.043 -12.153 309 1HG1 VAL 42 2HG2 VAL 42 -8.508 -4.787 -10.654 310 2HG1 VAL 42 3HG2 VAL 42 -8.119 -6.398 -10.048 311 3HG1 VAL 42 1HG2 VAL 42 -7.912 -6.025 -11.761 312 1HG2 VAL 42 3HG1 VAL 42 -11.063 -8.098 -10.842 313 2HG2 VAL 42 1HG1 VAL 42 -9.639 -8.294 -11.860 314 3HG2 VAL 42 2HG1 VAL 42 -9.459 -8.102 -10.116 315 H THR 43 H THR 43 -12.641 -3.664 -9.951 316 HA THR 43 HA THR 43 -14.680 -5.213 -11.468 317 HB THR 43 HB THR 43 -16.345 -4.269 -10.153 318 HG1 THR 43 HG1 THR 43 -16.286 -2.183 -10.185 319 1HG2 THR 43 1HG2 THR 43 -14.095 -5.158 -8.756 320 2HG2 THR 43 2HG2 THR 43 -14.539 -3.655 -7.955 321 3HG2 THR 43 3HG2 THR 43 -15.717 -4.958 -8.104 322 H ARG 44 H ARG 44 -16.046 -4.294 -12.904 323 HA ARG 44 HA ARG 44 -16.605 -3.078 -14.753 324 1HB ARG 44 2HB ARG 44 -15.645 -0.884 -12.928 325 2HB ARG 44 1HB ARG 44 -16.358 -0.560 -14.490 326 1HG ARG 44 1HG ARG 44 -17.679 -2.212 -12.327 327 2HG ARG 44 2HG ARG 44 -18.053 -0.520 -12.653 328 1HD ARG 44 1HD ARG 44 -18.141 -1.946 -15.134 329 2HD ARG 44 2HD ARG 44 -19.100 -2.841 -13.955 330 HE ARG 44 HE ARG 44 -19.630 0.046 -14.026 331 1HH1 ARG 44 1HH2 ARG 44 -20.860 -1.622 -16.818 332 2HH1 ARG 44 2HH2 ARG 44 -21.049 -2.993 -15.777 333 1HH2 ARG 44 1HH1 ARG 44 -22.013 -0.217 -13.516 334 2HH2 ARG 44 2HH1 ARG 44 -22.903 -0.999 -14.779 335 H LYS 45 H LYS 45 -13.946 -0.871 -14.201 336 HA LYS 45 HA LYS 45 -12.785 -1.707 -16.774 337 1HB LYS 45 1HB LYS 45 -12.949 0.708 -15.509 338 2HB LYS 45 2HB LYS 45 -11.309 0.219 -15.093 339 1HG LYS 45 1HG LYS 45 -10.810 1.134 -17.124 340 2HG LYS 45 2HG LYS 45 -11.351 -0.430 -17.731 341 1HD LYS 45 1HD LYS 45 -13.625 0.466 -18.040 342 2HD LYS 45 2HD LYS 45 -13.104 2.026 -17.401 343 1HE LYS 45 1HE LYS 45 -11.461 2.216 -19.249 344 2HE LYS 45 2HE LYS 45 -12.028 0.678 -19.898 345 1HZ LYS 45 3HZ LYS 45 -14.286 1.709 -19.987 346 2HZ LYS 45 1HZ LYS 45 -13.558 3.201 -19.629 347 3HZ LYS 45 2HZ LYS 45 -13.153 2.380 -21.059 348 H ASN 46 H ASN 46 -12.705 -3.146 -13.925 349 HA ASN 46 HA ASN 46 -11.290 -4.587 -12.842 350 1HB ASN 46 2HB ASN 46 -10.181 -4.404 -15.608 351 2HB ASN 46 1HB ASN 46 -9.107 -5.043 -14.370 352 1HD2 ASN 46 1HD2 ASN 46 -10.793 -7.624 -13.293 353 2HD2 ASN 46 2HD2 ASN 46 -9.542 -7.685 -14.439 354 H ARG 47 H ARG 47 -10.857 -1.540 -12.864 355 HA ARG 47 HA ARG 47 -8.069 -1.072 -12.377 356 1HB ARG 47 2HB ARG 47 -10.506 0.153 -11.034 357 2HB ARG 47 1HB ARG 47 -8.866 0.769 -10.874 358 1HG ARG 47 1HG ARG 47 -8.830 0.953 -13.422 359 2HG ARG 47 2HG ARG 47 -10.567 0.651 -13.373 360 1HD ARG 47 1HD ARG 47 -9.876 2.670 -11.430 361 2HD ARG 47 2HD ARG 47 -9.248 3.128 -13.013 362 HE ARG 47 HE ARG 47 -12.096 2.285 -12.781 363 1HH1 ARG 47 2HH1 ARG 47 -9.843 4.920 -14.081 364 2HH1 ARG 47 1HH1 ARG 47 -10.903 4.434 -15.362 365 1HH2 ARG 47 1HH2 ARG 47 -13.497 4.292 -13.097 366 2HH2 ARG 47 2HH2 ARG 47 -12.547 5.740 -13.100 367 H GLN 48 H GLN 48 -6.861 -1.612 -10.466 368 HA GLN 48 HA GLN 48 -8.017 -3.782 -9.023 369 1HB GLN 48 1HB GLN 48 -5.393 -2.447 -9.056 370 2HB GLN 48 2HB GLN 48 -5.839 -3.217 -7.526 371 1HG GLN 48 1HG GLN 48 -6.370 -5.294 -8.691 372 2HG GLN 48 2HG GLN 48 -6.064 -4.538 -10.248 373 1HE2 GLN 48 2HE2 GLN 48 -3.023 -6.444 -8.953 374 2HE2 GLN 48 1HE2 GLN 48 -4.525 -6.807 -9.655 375 H VAL 49 H VAL 49 -9.748 -3.222 -8.021 376 HA VAL 49 HA VAL 49 -9.845 -0.844 -6.307 377 HB VAL 49 HB VAL 49 -12.138 -2.688 -6.403 378 1HG1 VAL 49 3HG1 VAL 49 -11.646 0.269 -6.660 379 2HG1 VAL 49 1HG1 VAL 49 -13.244 -0.437 -6.907 380 3HG1 VAL 49 2HG1 VAL 49 -12.449 -0.587 -5.340 381 1HG2 VAL 49 2HG2 VAL 49 -11.243 -1.157 -8.880 382 2HG2 VAL 49 3HG2 VAL 49 -11.396 -2.904 -8.768 383 3HG2 VAL 49 1HG2 VAL 49 -12.830 -1.891 -8.684 384 H CYS 50 H CYS 50 -11.179 -1.370 -4.148 385 HA CYS 50 HA CYS 50 -9.802 -3.677 -2.850 386 1HB CYS 50 2HB CYS 50 -9.653 -1.007 -2.182 387 2HB CYS 50 1HB CYS 50 -10.957 -1.561 -1.156 388 H ALA 51 H ALA 51 -11.248 -4.094 -0.631 389 HA ALA 51 HA ALA 51 -14.029 -3.742 -0.651 390 1HB ALA 51 3HB ALA 51 -13.179 -5.541 -2.725 391 2HB ALA 51 1HB ALA 51 -14.101 -6.448 -1.527 392 3HB ALA 51 2HB ALA 51 -14.820 -5.042 -2.312 393 H ASN 52 H ASN 52 -11.761 -4.253 1.190 394 HA ASN 52 HA ASN 52 -11.528 -5.291 3.279 395 1HB ASN 52 1HB ASN 52 -14.025 -4.752 3.301 396 2HB ASN 52 2HB ASN 52 -14.293 -6.412 2.763 397 1HD2 ASN 52 2HD2 ASN 52 -14.174 -5.679 6.540 398 2HD2 ASN 52 1HD2 ASN 52 -13.359 -4.479 5.662 399 HA PRO 53 HA PRO 53 -10.359 -9.365 1.980 400 1HB PRO 53 2HB PRO 53 -9.030 -10.109 4.219 401 2HB PRO 53 1HB PRO 53 -8.366 -8.977 3.069 402 1HG PRO 53 2HG PRO 53 -9.459 -8.427 5.783 403 2HG PRO 53 1HG PRO 53 -8.295 -7.488 4.838 404 1HD PRO 53 1HD PRO 53 -11.091 -6.946 5.150 405 2HD PRO 53 2HD PRO 53 -9.960 -6.116 4.062 406 H GLU 54 H GLU 54 -11.162 -9.358 5.475 407 HA GLU 54 HA GLU 54 -12.349 -12.026 5.235 408 1HB GLU 54 1HB GLU 54 -11.712 -10.157 7.491 409 2HB GLU 54 2HB GLU 54 -12.826 -11.497 7.766 410 1HG GLU 54 1HG GLU 54 -11.113 -13.066 6.878 411 2HG GLU 54 2HG GLU 54 -9.997 -11.714 6.697 412 H LYS 55 H LYS 55 -13.746 -9.356 4.196 413 HA LYS 55 HA LYS 55 -16.145 -9.179 5.792 414 1HB LYS 55 2HB LYS 55 -15.182 -8.038 3.301 415 2HB LYS 55 1HB LYS 55 -16.884 -8.482 3.189 416 1HG LYS 55 1HG LYS 55 -16.081 -7.143 5.708 417 2HG LYS 55 2HG LYS 55 -16.004 -6.138 4.262 418 1HD LYS 55 1HD LYS 55 -18.315 -6.533 3.759 419 2HD LYS 55 2HD LYS 55 -18.425 -7.812 4.968 420 1HE LYS 55 1HE LYS 55 -17.775 -4.930 5.642 421 2HE LYS 55 2HE LYS 55 -19.408 -5.594 5.693 422 1HZ LYS 55 2HZ LYS 55 -18.569 -7.299 7.243 423 2HZ LYS 55 3HZ LYS 55 -17.065 -6.510 7.269 424 3HZ LYS 55 1HZ LYS 55 -18.448 -5.723 7.863 425 H LYS 56 H LYS 56 -17.815 -10.587 5.879 426 HA LYS 56 HA LYS 56 -17.798 -13.165 4.898 427 1HB LYS 56 1HB LYS 56 -20.234 -11.420 5.346 428 2HB LYS 56 2HB LYS 56 -20.257 -13.180 5.232 429 1HG LYS 56 1HG LYS 56 -19.250 -13.464 7.287 430 2HG LYS 56 2HG LYS 56 -18.348 -11.953 7.172 431 1HD LYS 56 1HD LYS 56 -20.225 -10.651 7.788 432 2HD LYS 56 2HD LYS 56 -21.353 -11.963 7.446 433 1HE LYS 56 1HE LYS 56 -20.086 -13.248 9.315 434 2HE LYS 56 2HE LYS 56 -19.467 -11.663 9.780 435 1HZ LYS 56 3HZ LYS 56 -22.059 -11.131 9.497 436 2HZ LYS 56 1HZ LYS 56 -22.147 -12.748 10.006 437 3HZ LYS 56 2HZ LYS 56 -21.355 -11.596 10.970 438 H TRP 57 H TRP 57 -18.605 -10.312 3.021 439 HA TRP 57 HA TRP 57 -19.868 -11.954 0.928 440 1HB TRP 57 1HB TRP 57 -20.417 -9.910 -0.160 441 2HB TRP 57 2HB TRP 57 -20.705 -9.660 1.563 442 HD1 TRP 57 HD1 TRP 57 -19.429 -7.673 2.639 443 HE1 TRP 57 HE1 TRP 57 -17.825 -5.898 1.662 444 HE3 TRP 57 HE3 TRP 57 -18.350 -9.894 -1.786 445 HZ2 TRP 57 HZ2 TRP 57 -16.222 -5.521 -0.721 446 HZ3 TRP 57 HZ3 TRP 57 -16.882 -8.814 -3.433 447 HH2 TRP 57 HH2 TRP 57 -15.799 -6.636 -2.906 448 H VAL 58 H VAL 58 -16.872 -10.021 1.224 449 HA VAL 58 HA VAL 58 -15.949 -10.373 -1.411 450 HB VAL 58 HB VAL 58 -13.589 -10.519 -0.227 451 1HG1 VAL 58 3HG1 VAL 58 -14.779 -8.612 -1.451 452 2HG1 VAL 58 1HG1 VAL 58 -15.214 -8.023 0.152 453 3HG1 VAL 58 2HG1 VAL 58 -13.520 -8.167 -0.308 454 1HG2 VAL 58 2HG2 VAL 58 -14.571 -11.041 1.992 455 2HG2 VAL 58 3HG2 VAL 58 -13.555 -9.603 1.991 456 3HG2 VAL 58 1HG2 VAL 58 -15.304 -9.444 1.988 457 H ARG 59 H ARG 59 -15.443 -12.577 1.354 458 HA ARG 59 HA ARG 59 -13.976 -14.508 -0.177 459 1HB ARG 59 1HB ARG 59 -15.571 -14.723 2.384 460 2HB ARG 59 2HB ARG 59 -14.708 -16.080 1.702 461 1HG ARG 59 1HG ARG 59 -12.689 -14.401 1.633 462 2HG ARG 59 2HG ARG 59 -13.610 -13.537 2.840 463 1HD ARG 59 1HD ARG 59 -13.413 -15.232 4.412 464 2HD ARG 59 2HD ARG 59 -13.247 -16.486 3.182 465 HE ARG 59 HE ARG 59 -11.062 -14.619 3.999 466 1HH1 ARG 59 1HH1 ARG 59 -11.683 -16.478 1.365 467 2HH1 ARG 59 2HH1 ARG 59 -10.411 -17.631 1.601 468 1HH2 ARG 59 1HH2 ARG 59 -9.775 -16.728 4.845 469 2HH2 ARG 59 2HH2 ARG 59 -8.991 -17.314 3.415 470 H GLU 60 H GLU 60 -17.382 -13.860 0.287 471 HA GLU 60 HA GLU 60 -18.329 -16.379 -0.809 472 1HB GLU 60 1HB GLU 60 -19.485 -14.016 0.331 473 2HB GLU 60 2HB GLU 60 -20.258 -14.324 -1.205 474 1HG GLU 60 2HG GLU 60 -19.839 -16.753 0.389 475 2HG GLU 60 1HG GLU 60 -20.901 -15.577 1.165 476 H TYR 61 H TYR 61 -17.087 -13.453 -2.144 477 HA TYR 61 HA TYR 61 -18.268 -13.960 -4.813 478 1HB TYR 61 1HB TYR 61 -16.788 -11.727 -3.493 479 2HB TYR 61 2HB TYR 61 -16.584 -11.909 -5.233 480 HD1 TYR 61 HD2 TYR 61 -19.135 -11.519 -2.531 481 HD2 TYR 61 HD1 TYR 61 -18.297 -11.237 -6.756 482 HE1 TYR 61 HE2 TYR 61 -21.310 -10.370 -2.881 483 HE2 TYR 61 HE1 TYR 61 -20.482 -10.092 -7.109 484 HH TYR 61 HH TYR 61 -22.951 -10.103 -4.897 485 H ILE 62 H ILE 62 -15.349 -14.387 -2.968 486 HA ILE 62 HA ILE 62 -13.544 -14.776 -5.181 487 HB ILE 62 HB ILE 62 -13.461 -15.703 -2.292 488 1HG1 ILE 62 1HG1 ILE 62 -11.798 -13.541 -3.563 489 2HG1 ILE 62 2HG1 ILE 62 -13.429 -13.188 -2.998 490 1HG2 ILE 62 3HG2 ILE 62 -11.685 -16.216 -4.587 491 2HG2 ILE 62 1HG2 ILE 62 -10.867 -15.589 -3.156 492 3HG2 ILE 62 2HG2 ILE 62 -11.817 -17.071 -3.050 493 1HD1 ILE 62 1HD1 ILE 62 -11.964 -14.720 -1.018 494 2HD1 ILE 62 2HD1 ILE 62 -11.084 -13.252 -1.446 495 3HD1 ILE 62 3HD1 ILE 62 -12.741 -13.146 -0.851 496 H ASN 63 H ASN 63 -15.877 -16.809 -3.548 497 HA ASN 63 HA ASN 63 -14.816 -19.215 -4.940 498 1HB ASN 63 1HB ASN 63 -16.725 -18.774 -2.666 499 2HB ASN 63 2HB ASN 63 -16.783 -20.274 -3.560 500 1HD2 ASN 63 2HD2 ASN 63 -14.233 -21.787 -2.201 501 2HD2 ASN 63 1HD2 ASN 63 -14.100 -21.207 -3.790 502 H SER 64 H SER 64 -17.510 -16.976 -4.942 503 HA SER 64 HA SER 64 -19.155 -18.635 -6.704 504 1HB SER 64 2HB SER 64 -20.015 -16.884 -5.041 505 2HB SER 64 1HB SER 64 -19.477 -15.671 -6.202 506 HG SER 64 HG SER 64 -21.677 -16.296 -6.486 507 H LEU 65 H LEU 65 -16.568 -16.380 -7.101 508 HA LEU 65 HA LEU 65 -17.157 -15.289 -9.647 509 1HB LEU 65 1HB LEU 65 -14.687 -15.809 -8.074 510 2HB LEU 65 2HB LEU 65 -14.475 -15.557 -9.807 511 HG LEU 65 HG LEU 65 -16.253 -13.678 -8.298 512 1HD1 LEU 65 2HD1 LEU 65 -13.772 -14.148 -7.284 513 2HD1 LEU 65 3HD1 LEU 65 -13.400 -12.914 -8.488 514 3HD1 LEU 65 1HD1 LEU 65 -14.573 -12.579 -7.214 515 1HD2 LEU 65 3HD2 LEU 65 -15.055 -13.896 -10.897 516 2HD2 LEU 65 1HD2 LEU 65 -16.195 -12.684 -10.312 517 3HD2 LEU 65 2HD2 LEU 65 -14.461 -12.430 -10.115 518 H GLU 66 H GLU 66 -16.980 -16.101 -11.726 519 HA GLU 66 HA GLU 66 -16.427 -19.023 -11.932 520 1HB GLU 66 1HB GLU 66 -18.631 -18.221 -12.749 521 2HB GLU 66 2HB GLU 66 -17.805 -17.167 -13.897 522 1HG GLU 66 1HG GLU 66 -16.661 -19.240 -14.810 523 2HG GLU 66 2HG GLU 66 -17.757 -20.193 -13.811 524 H MET 67 H MET 67 -15.984 -16.147 -14.031 525 HA MET 67 HA MET 67 -13.136 -16.605 -14.291 526 1HB MET 67 1HB MET 67 -14.028 -18.472 -15.690 527 2HB MET 67 2HB MET 67 -14.862 -17.284 -16.692 528 1HG MET 67 1HG MET 67 -12.850 -16.393 -17.526 529 2HG MET 67 2HG MET 67 -11.900 -17.053 -16.196 530 1HE MET 67 1HE MET 67 -10.253 -17.738 -17.312 531 2HE MET 67 3HE MET 67 -10.302 -19.450 -16.890 532 3HE MET 67 2HE MET 67 -10.099 -18.961 -18.572 533 H SER 68 H SER 68 -15.856 -15.384 -16.288 534 HA SER 68 HA SER 68 -15.045 -12.626 -15.877 535 1HB SER 68 1HB SER 68 -14.725 -12.416 -18.506 536 2HB SER 68 2HB SER 68 -13.365 -12.831 -17.462 537 HG SER 68 HG SER 68 -13.245 -14.613 -18.528 538 H SER 1 H SER 1 -7.743 15.095 -0.432 539 HA SER 1 HA SER 1 -9.429 14.990 -2.802 540 1HB SER 1 1HB SER 1 -6.746 13.906 -2.019 541 2HB SER 1 2HB SER 1 -7.562 13.213 -3.420 542 HG SER 1 HG SER 1 -6.195 15.038 -3.892 543 HA PRO 2 HA PRO 2 -11.786 11.393 -1.957 544 1HB PRO 2 1HB PRO 2 -11.428 10.221 -4.568 545 2HB PRO 2 2HB PRO 2 -12.827 11.116 -3.963 546 1HG PRO 2 1HG PRO 2 -10.863 11.998 -5.885 547 2HG PRO 2 2HG PRO 2 -12.261 12.893 -5.278 548 1HD PRO 2 1HD PRO 2 -9.474 13.332 -4.667 549 2HD PRO 2 2HD PRO 2 -10.878 14.231 -4.059 550 H TYR 3 H TYR 3 -10.901 9.800 -0.704 551 HA TYR 3 HA TYR 3 -8.290 8.692 -1.131 552 1HB TYR 3 1HB TYR 3 -10.640 7.916 0.591 553 2HB TYR 3 2HB TYR 3 -9.204 6.896 0.513 554 HD1 TYR 3 HD2 TYR 3 -10.249 10.464 1.071 555 HD2 TYR 3 HD1 TYR 3 -7.343 7.374 1.876 556 HE1 TYR 3 HE2 TYR 3 -9.088 11.975 2.678 557 HE2 TYR 3 HE1 TYR 3 -6.183 8.884 3.485 558 HH TYR 3 HH TYR 3 -7.430 11.383 4.892 559 H SER 4 H SER 4 -11.538 7.626 -2.051 560 HA SER 4 HA SER 4 -12.224 5.911 -3.497 561 1HB SER 4 1HB SER 4 -10.130 7.210 -4.728 562 2HB SER 4 2HB SER 4 -9.580 5.535 -4.736 563 HG SER 4 HG SER 4 -10.825 5.896 -6.553 564 H SER 5 H SER 5 -11.273 3.602 -4.355 565 HA SER 5 HA SER 5 -9.713 2.347 -2.152 566 1HB SER 5 1HB SER 5 -12.313 1.208 -3.222 567 2HB SER 5 2HB SER 5 -11.321 0.540 -1.926 568 HG SER 5 HG SER 5 -11.828 2.259 -0.648 569 H ASP 6 H ASP 6 -7.958 1.813 -3.439 570 HA ASP 6 HA ASP 6 -8.393 -0.293 -5.446 571 1HB ASP 6 2HB ASP 6 -7.240 0.906 -7.250 572 2HB ASP 6 1HB ASP 6 -8.649 1.829 -6.735 573 H THR 7 H THR 7 -5.800 -0.175 -6.582 574 HA THR 7 HA THR 7 -4.284 -1.068 -4.220 575 HB THR 7 HB THR 7 -2.647 -1.755 -6.194 576 HG1 THR 7 HG1 THR 7 -3.712 -2.021 -8.099 577 1HG2 THR 7 2HG2 THR 7 -5.295 -3.077 -5.538 578 2HG2 THR 7 3HG2 THR 7 -4.003 -3.868 -6.442 579 3HG2 THR 7 1HG2 THR 7 -3.737 -3.378 -4.769 580 H THR 8 H THR 8 -1.695 -0.669 -4.864 581 HA THR 8 HA THR 8 -1.164 1.998 -5.889 582 HB THR 8 HB THR 8 -0.724 1.593 -2.919 583 HG1 THR 8 HG1 THR 8 -2.854 1.765 -2.981 584 1HG2 THR 8 2HG2 THR 8 0.604 3.272 -4.412 585 2HG2 THR 8 3HG2 THR 8 -0.900 4.192 -4.428 586 3HG2 THR 8 1HG2 THR 8 -0.090 3.854 -2.898 587 HA PRO 9 HA PRO 9 2.576 -0.377 -6.440 588 1HB PRO 9 1HB PRO 9 3.948 2.022 -7.280 589 2HB PRO 9 2HB PRO 9 3.358 0.701 -8.295 590 1HG PRO 9 2HG PRO 9 2.259 3.353 -8.059 591 2HG PRO 9 1HG PRO 9 1.661 2.040 -9.046 592 1HD PRO 9 2HD PRO 9 0.519 3.103 -6.647 593 2HD PRO 9 1HD PRO 9 -0.100 1.802 -7.652 594 H CYS 10 H CYS 10 3.638 -0.834 -4.527 595 HA CYS 10 HA CYS 10 5.162 1.352 -3.235 596 1HB CYS 10 2HB CYS 10 2.847 -0.101 -2.043 597 2HB CYS 10 1HB CYS 10 4.201 0.256 -1.002 598 H CYS 11 H CYS 11 6.832 0.617 -1.861 599 HA CYS 11 HA CYS 11 7.565 -2.208 -2.389 600 1HB CYS 11 1HB CYS 11 9.292 -0.713 -3.146 601 2HB CYS 11 2HB CYS 11 9.258 0.202 -1.642 602 H PHE 12 H PHE 12 8.241 -3.530 -0.578 603 HA PHE 12 HA PHE 12 7.249 -2.499 2.047 604 1HB PHE 12 1HB PHE 12 7.002 -4.896 2.670 605 2HB PHE 12 2HB PHE 12 6.031 -4.471 1.261 606 HD1 PHE 12 HD1 PHE 12 6.639 -5.248 -0.990 607 HD2 PHE 12 HD2 PHE 12 9.005 -6.300 2.465 608 HE1 PHE 12 HE1 PHE 12 7.795 -7.012 -2.319 609 HE2 PHE 12 HE2 PHE 12 10.164 -8.061 1.135 610 HZ PHE 12 HZ PHE 12 9.559 -8.418 -1.258 611 H ALA 13 H ALA 13 9.909 -4.202 0.448 612 HA ALA 13 HA ALA 13 11.622 -3.521 2.794 613 1HB ALA 13 2HB ALA 13 11.028 -5.952 2.842 614 2HB ALA 13 3HB ALA 13 11.753 -6.122 1.243 615 3HB ALA 13 1HB ALA 13 12.757 -5.673 2.623 616 H TYR 14 H TYR 14 13.686 -2.816 2.256 617 HA TYR 14 HA TYR 14 14.144 -2.584 -0.661 618 1HB TYR 14 1HB TYR 14 15.728 -0.630 0.194 619 2HB TYR 14 2HB TYR 14 14.027 -0.364 -0.093 620 HD1 TYR 14 HD1 TYR 14 12.387 -0.624 1.887 621 HD2 TYR 14 HD2 TYR 14 16.672 -0.317 2.340 622 HE1 TYR 14 HE1 TYR 14 12.094 -0.078 4.288 623 HE2 TYR 14 HE2 TYR 14 16.373 0.240 4.749 624 HH TYR 14 HH TYR 14 13.190 0.103 6.295 625 H ILE 15 H ILE 15 16.275 -2.945 -1.472 626 HA ILE 15 HA ILE 15 17.785 -4.938 -0.037 627 HB ILE 15 HB ILE 15 17.718 -4.834 -2.510 628 1HG1 ILE 15 1HG1 ILE 15 20.561 -4.270 -1.690 629 2HG1 ILE 15 2HG1 ILE 15 19.734 -5.713 -1.106 630 1HG2 ILE 15 2HG2 ILE 15 18.271 -2.096 -2.039 631 2HG2 ILE 15 3HG2 ILE 15 19.676 -2.749 -2.881 632 3HG2 ILE 15 1HG2 ILE 15 18.072 -2.895 -3.598 633 1HD1 ILE 15 1HD1 ILE 15 19.342 -5.307 -3.971 634 2HD1 ILE 15 2HD1 ILE 15 21.048 -5.460 -3.550 635 3HD1 ILE 15 3HD1 ILE 15 19.913 -6.738 -3.112 636 H ALA 16 H ALA 16 20.149 -4.649 0.481 637 HA ALA 16 HA ALA 16 20.540 -2.005 1.790 638 1HB ALA 16 1HB ALA 16 21.720 -4.745 2.251 639 2HB ALA 16 2HB ALA 16 22.400 -3.298 2.994 640 3HB ALA 16 3HB ALA 16 20.742 -3.782 3.357 641 H ARG 17 H ARG 17 21.135 -1.082 -0.349 642 HA ARG 17 HA ARG 17 23.886 -0.692 -0.683 643 1HB ARG 17 2HB ARG 17 23.074 -3.234 -1.709 644 2HB ARG 17 1HB ARG 17 23.490 -2.201 -3.076 645 1HG ARG 17 1HG ARG 17 25.693 -2.248 -2.561 646 2HG ARG 17 2HG ARG 17 25.377 -1.927 -0.856 647 1HD ARG 17 1HD ARG 17 25.655 -4.102 -0.337 648 2HD ARG 17 2HD ARG 17 24.489 -4.591 -1.566 649 HE ARG 17 HE ARG 17 27.381 -4.105 -2.165 650 1HH1 ARG 17 2HH1 ARG 17 24.450 -6.284 -2.928 651 2HH1 ARG 17 1HH1 ARG 17 25.752 -7.295 -2.398 652 1HH2 ARG 17 2HH2 ARG 17 27.740 -4.958 -4.337 653 2HH2 ARG 17 1HH2 ARG 17 26.596 -6.105 -4.950 654 HA PRO 18 HA PRO 18 21.677 2.390 -2.999 655 1HB PRO 18 1HB PRO 18 24.094 3.467 -4.094 656 2HB PRO 18 2HB PRO 18 23.135 4.112 -2.784 657 1HG PRO 18 2HG PRO 18 25.694 2.783 -2.611 658 2HG PRO 18 1HG PRO 18 24.755 3.510 -1.301 659 1HD PRO 18 1HD PRO 18 25.150 0.715 -1.812 660 2HD PRO 18 2HD PRO 18 24.141 1.445 -0.556 661 H LEU 19 H LEU 19 22.066 3.360 -5.396 662 HA LEU 19 HA LEU 19 22.523 1.007 -7.183 663 1HB LEU 19 2HB LEU 19 20.494 3.225 -7.509 664 2HB LEU 19 1HB LEU 19 20.678 1.854 -8.567 665 HG LEU 19 HG LEU 19 19.851 1.797 -5.659 666 1HD1 LEU 19 1HD1 LEU 19 18.344 2.255 -7.930 667 2HD1 LEU 19 2HD1 LEU 19 18.155 0.519 -7.678 668 3HD1 LEU 19 3HD1 LEU 19 17.719 1.649 -6.397 669 1HD2 LEU 19 1HD2 LEU 19 21.000 -0.262 -7.395 670 2HD2 LEU 19 2HD2 LEU 19 20.736 -0.289 -5.652 671 3HD2 LEU 19 3HD2 LEU 19 19.425 -0.725 -6.748 672 HA PRO 20 HA PRO 20 25.522 3.881 -8.910 673 1HB PRO 20 1HB PRO 20 25.754 2.214 -11.258 674 2HB PRO 20 2HB PRO 20 26.907 2.388 -9.930 675 1HG PRO 20 1HG PRO 20 25.208 0.133 -10.495 676 2HG PRO 20 2HG PRO 20 26.330 0.325 -9.143 677 1HD PRO 20 1HD PRO 20 23.440 0.410 -9.086 678 2HD PRO 20 2HD PRO 20 24.565 0.563 -7.723 679 H ARG 21 H ARG 21 25.428 5.446 -10.619 680 HA ARG 21 HA ARG 21 22.796 5.985 -11.655 681 1HB ARG 21 2HB ARG 21 24.658 7.672 -11.169 682 2HB ARG 21 1HB ARG 21 25.366 7.185 -12.690 683 1HG ARG 21 2HG ARG 21 24.026 8.757 -13.623 684 2HG ARG 21 1HG ARG 21 22.723 7.596 -13.371 685 1HD ARG 21 1HD ARG 21 21.914 8.699 -11.508 686 2HD ARG 21 2HD ARG 21 23.499 9.337 -11.070 687 HE ARG 21 HE ARG 21 21.574 10.762 -12.574 688 1HH1 ARG 21 2HH1 ARG 21 24.719 11.572 -11.708 689 2HH1 ARG 21 1HH1 ARG 21 25.427 10.898 -13.138 690 1HH2 ARG 21 2HH2 ARG 21 22.407 11.411 -14.863 691 2HH2 ARG 21 1HH2 ARG 21 23.787 12.433 -14.630 692 H ALA 22 H ALA 22 25.294 3.929 -12.789 693 HA ALA 22 HA ALA 22 24.312 4.103 -15.587 694 1HB ALA 22 3HB ALA 22 26.838 3.910 -14.744 695 2HB ALA 22 1HB ALA 22 26.457 2.189 -14.772 696 3HB ALA 22 2HB ALA 22 26.310 3.148 -16.245 697 H HIS 23 H HIS 23 23.065 2.692 -13.032 698 HA HIS 23 HA HIS 23 22.438 0.175 -14.518 699 1HB HIS 23 1HB HIS 23 22.788 0.480 -11.522 700 2HB HIS 23 2HB HIS 23 22.284 -0.993 -12.347 701 HD2 HIS 23 HD2 HIS 23 25.434 1.395 -12.985 702 HE1 HIS 23 HE1 HIS 23 26.681 -2.645 -12.987 703 HE2 HIS 23 HE2 HIS 23 27.458 -0.233 -13.223 704 H ILE 24 H ILE 24 21.185 3.031 -13.231 705 HA ILE 24 HA ILE 24 18.543 1.715 -12.819 706 HB ILE 24 HB ILE 24 18.988 4.544 -12.032 707 1HG1 ILE 24 2HG1 ILE 24 19.736 2.258 -10.214 708 2HG1 ILE 24 1HG1 ILE 24 20.934 3.185 -11.119 709 1HG2 ILE 24 3HG2 ILE 24 17.033 2.471 -11.674 710 2HG2 ILE 24 1HG2 ILE 24 17.607 3.020 -10.103 711 3HG2 ILE 24 2HG2 ILE 24 16.924 4.178 -11.243 712 1HD1 ILE 24 2HD1 ILE 24 19.521 5.213 -10.024 713 2HD1 ILE 24 3HD1 ILE 24 19.258 3.982 -8.788 714 3HD1 ILE 24 1HD1 ILE 24 20.900 4.472 -9.209 715 H LYS 25 H LYS 25 16.675 3.297 -13.370 716 HA LYS 25 HA LYS 25 17.308 4.751 -15.892 717 1HB LYS 25 1HB LYS 25 15.999 2.356 -15.858 718 2HB LYS 25 2HB LYS 25 14.643 3.477 -15.701 719 1HG LYS 25 1HG LYS 25 14.774 3.675 -17.956 720 2HG LYS 25 2HG LYS 25 16.190 4.679 -17.648 721 1HD LYS 25 1HD LYS 25 17.679 2.981 -18.166 722 2HD LYS 25 2HD LYS 25 16.547 1.709 -17.704 723 1HE LYS 25 1HE LYS 25 15.405 1.804 -19.735 724 2HE LYS 25 2HE LYS 25 15.898 3.468 -20.048 725 1HZ LYS 25 3HZ LYS 25 17.884 1.289 -19.938 726 2HZ LYS 25 1HZ LYS 25 17.023 1.613 -21.366 727 3HZ LYS 25 2HZ LYS 25 18.014 2.810 -20.681 728 H GLU 26 H GLU 26 15.080 4.379 -13.106 729 HA GLU 26 HA GLU 26 14.631 7.268 -13.109 730 1HB GLU 26 2HB GLU 26 12.840 6.956 -14.507 731 2HB GLU 26 1HB GLU 26 12.806 5.260 -14.239 732 1HG GLU 26 2HG GLU 26 10.788 5.820 -13.374 733 2HG GLU 26 1HG GLU 26 11.728 5.956 -11.917 734 H TYR 27 H TYR 27 12.929 7.615 -11.159 735 HA TYR 27 HA TYR 27 13.316 5.509 -9.147 736 1HB TYR 27 2HB TYR 27 14.270 6.906 -7.534 737 2HB TYR 27 1HB TYR 27 15.013 7.528 -9.001 738 HD1 TYR 27 HD2 TYR 27 14.267 9.665 -10.013 739 HD2 TYR 27 HD1 TYR 27 12.565 8.192 -6.329 740 HE1 TYR 27 HE2 TYR 27 13.259 11.904 -9.584 741 HE2 TYR 27 HE1 TYR 27 11.542 10.427 -5.909 742 HH TYR 27 HH TYR 27 10.926 12.415 -7.047 743 H PHE 28 H PHE 28 11.735 6.148 -7.157 744 HA PHE 28 HA PHE 28 9.515 7.796 -8.064 745 1HB PHE 28 1HB PHE 28 8.933 5.818 -9.292 746 2HB PHE 28 2HB PHE 28 9.236 4.789 -7.896 747 HD1 PHE 28 HD2 PHE 28 7.028 7.552 -9.143 748 HD2 PHE 28 HD1 PHE 28 7.521 4.315 -6.329 749 HE1 PHE 28 HE2 PHE 28 4.668 7.845 -8.390 750 HE2 PHE 28 HE1 PHE 28 5.170 4.617 -5.567 751 HZ PHE 28 HZ PHE 28 3.738 6.376 -6.603 752 H TYR 29 H TYR 29 10.124 8.837 -6.009 753 HA TYR 29 HA TYR 29 10.173 7.579 -3.490 754 1HB TYR 29 2HB TYR 29 10.814 9.913 -3.760 755 2HB TYR 29 1HB TYR 29 9.184 10.342 -4.208 756 HD1 TYR 29 HD1 TYR 29 10.804 8.352 -1.450 757 HD2 TYR 29 HD2 TYR 29 7.972 11.425 -2.535 758 HE1 TYR 29 HE1 TYR 29 10.199 8.643 0.950 759 HE2 TYR 29 HE2 TYR 29 7.370 11.719 -0.135 760 HH TYR 29 HH TYR 29 8.773 11.197 2.197 761 H THR 30 H THR 30 8.624 6.810 -2.150 762 HA THR 30 HA THR 30 6.014 6.184 -3.132 763 HB THR 30 HB THR 30 6.839 6.355 -0.220 764 HG1 THR 30 HG1 THR 30 8.339 5.078 -1.144 765 1HG2 THR 30 3HG2 THR 30 4.829 4.625 -1.696 766 2HG2 THR 30 1HG2 THR 30 5.183 4.539 0.030 767 3HG2 THR 30 2HG2 THR 30 4.436 5.986 -0.646 768 H SER 31 H SER 31 3.937 6.993 -2.231 769 HA SER 31 HA SER 31 3.961 9.921 -2.087 770 1HB SER 31 1HB SER 31 2.152 9.125 -3.351 771 2HB SER 31 2HB SER 31 1.824 7.808 -2.226 772 HG SER 31 HG SER 31 0.347 9.176 -1.577 773 H GLY 32 H GLY 32 1.865 7.868 -0.103 774 1HA GLY 32 1HA GLY 32 3.099 8.121 2.402 775 2HA GLY 32 2HA GLY 32 2.155 9.596 2.186 776 H LYS 33 H LYS 33 1.796 6.054 1.840 777 HA LYS 33 HA LYS 33 -0.457 5.849 3.571 778 1HB LYS 33 1HB LYS 33 -2.245 5.512 1.857 779 2HB LYS 33 2HB LYS 33 -1.642 7.171 1.886 780 1HG LYS 33 2HG LYS 33 -0.181 6.688 -0.025 781 2HG LYS 33 1HG LYS 33 -0.700 5.021 -0.029 782 1HD LYS 33 2HD LYS 33 -1.911 6.341 -1.731 783 2HD LYS 33 1HD LYS 33 -3.003 5.716 -0.520 784 1HE LYS 33 1HE LYS 33 -3.404 7.797 0.397 785 2HE LYS 33 2HE LYS 33 -1.803 8.402 -0.028 786 1HZ LYS 33 1HZ LYS 33 -2.892 7.942 -2.441 787 2HZ LYS 33 2HZ LYS 33 -4.253 8.437 -1.553 788 3HZ LYS 33 3HZ LYS 33 -2.893 9.448 -1.656 789 H CYS 34 H CYS 34 1.913 4.383 3.018 790 HA CYS 34 HA CYS 34 0.716 1.793 2.137 791 1HB CYS 34 2HB CYS 34 3.161 3.191 1.152 792 2HB CYS 34 1HB CYS 34 3.242 1.439 1.323 793 H SER 35 H SER 35 2.141 3.413 4.666 794 HA SER 35 HA SER 35 3.230 2.684 6.617 795 1HB SER 35 1HB SER 35 1.411 0.626 5.809 796 2HB SER 35 2HB SER 35 2.876 -0.142 6.421 797 HG SER 35 HG SER 35 1.040 1.509 7.714 798 H ASN 36 H ASN 36 4.567 2.574 3.870 799 HA ASN 36 HA ASN 36 7.012 1.197 4.778 800 1HB ASN 36 1HB ASN 36 5.645 0.453 2.178 801 2HB ASN 36 2HB ASN 36 7.204 -0.128 2.710 802 1HD2 ASN 36 1HD2 ASN 36 4.002 -2.154 3.866 803 2HD2 ASN 36 2HD2 ASN 36 4.058 -1.106 2.532 804 HA PRO 37 HA PRO 37 7.225 5.235 2.320 805 1HB PRO 37 1HB PRO 37 9.067 6.136 4.372 806 2HB PRO 37 2HB PRO 37 7.502 6.824 3.927 807 1HG PRO 37 2HG PRO 37 8.133 5.310 6.284 808 2HG PRO 37 1HG PRO 37 6.571 5.945 5.816 809 1HD PRO 37 1HD PRO 37 7.426 3.196 5.811 810 2HD PRO 37 2HD PRO 37 5.844 3.841 5.332 811 H ALA 38 H ALA 38 8.820 5.338 0.784 812 HA ALA 38 HA ALA 38 11.597 4.754 1.340 813 1HB ALA 38 3HB ALA 38 10.139 2.483 1.095 814 2HB ALA 38 1HB ALA 38 10.529 2.779 -0.598 815 3HB ALA 38 2HB ALA 38 11.824 2.603 0.586 816 H VAL 39 H VAL 39 12.158 3.840 -1.378 817 HA VAL 39 HA VAL 39 11.020 5.899 -3.129 818 HB VAL 39 HB VAL 39 13.315 6.532 -1.766 819 1HG1 VAL 39 2HG1 VAL 39 14.592 4.770 -2.987 820 2HG1 VAL 39 3HG1 VAL 39 14.236 5.620 -4.491 821 3HG1 VAL 39 1HG1 VAL 39 15.211 6.400 -3.245 822 1HG2 VAL 39 2HG2 VAL 39 12.173 7.430 -4.377 823 2HG2 VAL 39 3HG2 VAL 39 12.204 8.267 -2.825 824 3HG2 VAL 39 1HG2 VAL 39 13.678 8.146 -3.787 825 H VAL 40 H VAL 40 10.864 5.010 -5.131 826 HA VAL 40 HA VAL 40 12.018 2.293 -5.322 827 HB VAL 40 HB VAL 40 9.546 3.549 -6.459 828 1HG1 VAL 40 2HG1 VAL 40 11.196 1.433 -7.664 829 2HG1 VAL 40 3HG1 VAL 40 9.518 0.967 -7.395 830 3HG1 VAL 40 1HG1 VAL 40 9.895 2.382 -8.377 831 1HG2 VAL 40 2HG2 VAL 40 10.245 1.082 -4.855 832 2HG2 VAL 40 3HG2 VAL 40 9.384 2.514 -4.286 833 3HG2 VAL 40 1HG2 VAL 40 8.619 1.430 -5.448 834 H PHE 41 H PHE 41 13.809 2.148 -6.441 835 HA PHE 41 HA PHE 41 14.260 3.999 -8.686 836 1HB PHE 41 1HB PHE 41 15.977 2.287 -6.963 837 2HB PHE 41 2HB PHE 41 16.529 2.573 -8.592 838 HD1 PHE 41 HD2 PHE 41 15.544 4.219 -5.406 839 HD2 PHE 41 HD1 PHE 41 17.350 4.739 -9.287 840 HE1 PHE 41 HE2 PHE 41 16.404 6.457 -4.721 841 HE2 PHE 41 HE1 PHE 41 18.228 6.950 -8.595 842 HZ PHE 41 HZ PHE 41 17.789 7.792 -6.296 843 H VAL 42 H VAL 42 13.234 3.339 -10.422 844 HA VAL 42 HA VAL 42 12.862 0.560 -11.134 845 HB VAL 42 HB VAL 42 12.491 1.772 -13.483 846 1HG1 VAL 42 2HG2 VAL 42 10.891 0.639 -11.738 847 2HG1 VAL 42 3HG2 VAL 42 10.481 2.304 -11.325 848 3HG1 VAL 42 1HG2 VAL 42 10.204 1.707 -12.964 849 1HG2 VAL 42 3HG1 VAL 42 13.326 3.951 -12.556 850 2HG2 VAL 42 1HG1 VAL 42 11.752 3.991 -13.344 851 3HG2 VAL 42 2HG1 VAL 42 11.857 3.994 -11.585 852 H THR 43 H THR 43 15.044 -0.311 -11.054 853 HA THR 43 HA THR 43 16.973 0.857 -13.014 854 HB THR 43 HB THR 43 18.717 0.229 -11.621 855 HG1 THR 43 HG1 THR 43 18.679 -1.868 -11.424 856 1HG2 THR 43 1HG2 THR 43 16.560 1.284 -10.219 857 2HG2 THR 43 2HG2 THR 43 17.046 -0.101 -9.248 858 3HG2 THR 43 3HG2 THR 43 18.214 1.163 -9.630 859 H ARG 44 H ARG 44 18.189 -0.480 -14.350 860 HA ARG 44 HA ARG 44 18.183 -2.073 -16.074 861 1HB ARG 44 1HB ARG 44 18.174 -3.835 -13.621 862 2HB ARG 44 2HB ARG 44 18.726 -4.316 -15.203 863 1HG ARG 44 1HG ARG 44 19.899 -1.965 -13.717 864 2HG ARG 44 2HG ARG 44 20.536 -3.602 -13.567 865 1HD ARG 44 1HD ARG 44 20.128 -2.843 -16.355 866 2HD ARG 44 2HD ARG 44 21.239 -1.752 -15.527 867 HE ARG 44 HE ARG 44 21.738 -4.638 -15.156 868 1HH1 ARG 44 1HH2 ARG 44 22.797 -3.384 -18.215 869 2HH1 ARG 44 2HH2 ARG 44 23.046 -1.883 -17.388 870 1HH2 ARG 44 1HH1 ARG 44 24.149 -4.324 -14.825 871 2HH2 ARG 44 2HH1 ARG 44 24.963 -3.732 -16.234 872 H LYS 45 H LYS 45 16.232 -2.110 -17.153 873 HA LYS 45 HA LYS 45 14.289 -3.180 -17.961 874 1HB LYS 45 1HB LYS 45 15.210 -5.160 -16.241 875 2HB LYS 45 2HB LYS 45 13.605 -4.779 -15.613 876 1HG LYS 45 1HG LYS 45 12.860 -6.169 -17.253 877 2HG LYS 45 2HG LYS 45 13.157 -4.799 -18.323 878 1HD LYS 45 1HD LYS 45 15.518 -5.651 -18.612 879 2HD LYS 45 2HD LYS 45 15.035 -7.101 -17.733 880 1HE LYS 45 1HE LYS 45 13.263 -7.517 -19.413 881 2HE LYS 45 2HE LYS 45 13.775 -6.081 -20.299 882 1HZ LYS 45 3HZ LYS 45 16.021 -7.131 -20.426 883 2HZ LYS 45 1HZ LYS 45 15.331 -8.557 -19.817 884 3HZ LYS 45 2HZ LYS 45 14.813 -7.933 -21.308 885 H ASN 46 H ASN 46 14.786 -1.357 -15.209 886 HA ASN 46 HA ASN 46 13.478 0.118 -14.022 887 1HB ASN 46 2HB ASN 46 12.035 -0.340 -16.605 888 2HB ASN 46 1HB ASN 46 11.158 0.484 -15.321 889 1HD2 ASN 46 1HD2 ASN 46 12.923 3.148 -14.863 890 2HD2 ASN 46 2HD2 ASN 46 11.601 3.051 -15.923 891 H ARG 47 H ARG 47 13.087 -2.872 -13.603 892 HA ARG 47 HA ARG 47 10.342 -3.295 -12.863 893 1HB ARG 47 2HB ARG 47 12.888 -4.314 -11.559 894 2HB ARG 47 1HB ARG 47 11.275 -4.894 -11.168 895 1HG ARG 47 1HG ARG 47 11.020 -5.442 -13.653 896 2HG ARG 47 2HG ARG 47 12.754 -5.153 -13.794 897 1HD ARG 47 1HD ARG 47 12.214 -6.863 -11.526 898 2HD ARG 47 2HD ARG 47 11.485 -7.540 -12.983 899 HE ARG 47 HE ARG 47 14.337 -6.684 -13.059 900 1HH1 ARG 47 2HH1 ARG 47 12.014 -9.465 -13.821 901 2HH1 ARG 47 1HH1 ARG 47 12.978 -9.165 -15.229 902 1HH2 ARG 47 1HH2 ARG 47 15.724 -8.721 -13.188 903 2HH2 ARG 47 2HH2 ARG 47 14.783 -10.151 -12.926 904 H GLN 48 H GLN 48 9.255 -2.498 -10.966 905 HA GLN 48 HA GLN 48 10.483 -0.150 -9.907 906 1HB GLN 48 1HB GLN 48 7.870 -1.471 -9.588 907 2HB GLN 48 2HB GLN 48 8.411 -0.502 -8.209 908 1HG GLN 48 1HG GLN 48 8.852 1.396 -9.679 909 2HG GLN 48 2HG GLN 48 8.442 0.439 -11.093 910 1HE2 GLN 48 2HE2 GLN 48 5.487 2.512 -9.865 911 2HE2 GLN 48 1HE2 GLN 48 6.936 2.770 -10.711 912 H VAL 49 H VAL 49 12.278 -0.569 -8.951 913 HA VAL 49 HA VAL 49 12.500 -2.685 -6.928 914 HB VAL 49 HB VAL 49 14.778 -0.894 -7.435 915 1HG1 VAL 49 3HG1 VAL 49 14.271 -3.860 -7.267 916 2HG1 VAL 49 1HG1 VAL 49 15.851 -3.203 -7.692 917 3HG1 VAL 49 2HG1 VAL 49 15.144 -2.844 -6.117 918 1HG2 VAL 49 2HG2 VAL 49 13.725 -2.737 -9.620 919 2HG2 VAL 49 3HG2 VAL 49 13.873 -0.991 -9.753 920 3HG2 VAL 49 1HG2 VAL 49 15.316 -1.988 -9.631 921 H CYS 50 H CYS 50 13.972 -1.866 -4.948 922 HA CYS 50 HA CYS 50 12.673 0.623 -3.924 923 1HB CYS 50 2HB CYS 50 13.944 -1.511 -2.223 924 2HB CYS 50 1HB CYS 50 12.788 -0.296 -1.727 925 H ALA 51 H ALA 51 14.275 1.323 -1.879 926 HA ALA 51 HA ALA 51 17.046 0.987 -2.053 927 1HB ALA 51 3HB ALA 51 16.038 2.486 -4.288 928 2HB ALA 51 1HB ALA 51 17.036 3.546 -3.292 929 3HB ALA 51 2HB ALA 51 17.706 2.044 -3.928 930 H ASN 52 H ASN 52 14.899 1.748 -0.150 931 HA ASN 52 HA ASN 52 14.807 3.051 1.793 932 1HB ASN 52 1HB ASN 52 17.297 2.520 1.720 933 2HB ASN 52 2HB ASN 52 17.519 4.089 0.942 934 1HD2 ASN 52 2HD2 ASN 52 17.667 3.887 4.780 935 2HD2 ASN 52 1HD2 ASN 52 16.801 2.577 4.136 936 HA PRO 53 HA PRO 53 13.460 6.931 0.091 937 1HB PRO 53 1HB PRO 53 12.412 7.960 2.434 938 2HB PRO 53 2HB PRO 53 11.585 6.783 1.433 939 1HG PRO 53 2HG PRO 53 12.874 6.407 4.068 940 2HG PRO 53 1HG PRO 53 11.665 5.394 3.267 941 1HD PRO 53 1HD PRO 53 14.490 4.910 3.457 942 2HD PRO 53 2HD PRO 53 13.292 3.954 2.562 943 H GLU 54 H GLU 54 14.556 7.417 3.462 944 HA GLU 54 HA GLU 54 15.725 10.001 2.746 945 1HB GLU 54 1HB GLU 54 15.270 8.478 5.290 946 2HB GLU 54 2HB GLU 54 16.379 9.849 5.284 947 1HG GLU 54 1HG GLU 54 14.584 11.265 4.310 948 2HG GLU 54 2HG GLU 54 13.479 9.894 4.393 949 H LYS 55 H LYS 55 17.055 7.206 1.994 950 HA LYS 55 HA LYS 55 19.561 7.241 3.428 951 1HB LYS 55 2HB LYS 55 18.432 5.769 1.191 952 2HB LYS 55 1HB LYS 55 20.121 6.187 0.901 953 1HG LYS 55 1HG LYS 55 19.502 5.211 3.630 954 2HG LYS 55 2HG LYS 55 19.332 4.016 2.344 955 1HD LYS 55 1HD LYS 55 21.601 4.330 1.634 956 2HD LYS 55 2HD LYS 55 21.786 5.765 2.643 957 1HE LYS 55 1HE LYS 55 21.203 3.008 3.756 958 2HE LYS 55 2HE LYS 55 22.830 3.668 3.602 959 1HZ LYS 55 2HZ LYS 55 22.088 5.575 4.953 960 2HZ LYS 55 3HZ LYS 55 20.594 4.802 5.191 961 3HZ LYS 55 1HZ LYS 55 22.019 4.101 5.793 962 H LYS 56 H LYS 56 21.222 8.645 3.203 963 HA LYS 56 HA LYS 56 21.118 11.061 1.876 964 1HB LYS 56 1HB LYS 56 23.593 9.392 2.395 965 2HB LYS 56 2HB LYS 56 23.594 11.118 2.035 966 1HG LYS 56 1HG LYS 56 22.728 11.686 4.096 967 2HG LYS 56 2HG LYS 56 21.830 10.178 4.252 968 1HD LYS 56 1HD LYS 56 23.752 8.967 4.913 969 2HD LYS 56 2HD LYS 56 24.847 10.215 4.317 970 1HE LYS 56 1HE LYS 56 23.701 11.751 6.073 971 2HE LYS 56 2HE LYS 56 23.127 10.247 6.793 972 1HZ LYS 56 3HZ LYS 56 25.697 9.673 6.409 973 2HZ LYS 56 1HZ LYS 56 25.808 11.346 6.683 974 3HZ LYS 56 2HZ LYS 56 25.092 10.340 7.849 975 H TRP 57 H TRP 57 21.815 7.973 0.362 976 HA TRP 57 HA TRP 57 22.921 9.305 -2.019 977 1HB TRP 57 1HB TRP 57 23.410 7.129 -2.847 978 2HB TRP 57 2HB TRP 57 23.815 7.120 -1.130 979 HD1 TRP 57 HD1 TRP 57 22.627 5.303 0.294 980 HE1 TRP 57 HE1 TRP 57 20.972 3.416 -0.317 981 HE3 TRP 57 HE3 TRP 57 21.243 6.894 -4.312 982 HZ2 TRP 57 HZ2 TRP 57 19.213 2.720 -2.511 983 HZ3 TRP 57 HZ3 TRP 57 19.670 5.603 -5.690 984 HH2 TRP 57 HH2 TRP 57 18.638 3.523 -4.796 985 H VAL 58 H VAL 58 19.965 7.441 -1.252 986 HA VAL 58 HA VAL 58 18.861 7.423 -3.840 987 HB VAL 58 HB VAL 58 16.584 7.740 -2.526 988 1HG1 VAL 58 3HG1 VAL 58 17.701 5.678 -3.553 989 2HG1 VAL 58 1HG1 VAL 58 18.254 5.320 -1.918 990 3HG1 VAL 58 2HG1 VAL 58 16.530 5.401 -2.271 991 1HG2 VAL 58 2HG2 VAL 58 17.716 8.565 -0.476 992 2HG2 VAL 58 3HG2 VAL 58 16.714 7.144 -0.206 993 3HG2 VAL 58 1HG2 VAL 58 18.459 6.981 -0.308 994 H ARG 59 H ARG 59 18.529 9.993 -1.383 995 HA ARG 59 HA ARG 59 16.947 11.694 -3.065 996 1HB ARG 59 2HB ARG 59 18.712 12.262 -0.675 997 2HB ARG 59 1HB ARG 59 17.794 13.512 -1.478 998 1HG ARG 59 2HG ARG 59 15.788 11.843 -1.171 999 2HG ARG 59 1HG ARG 59 16.797 11.154 0.077 1000 1HD ARG 59 1HD ARG 59 16.695 13.051 1.407 1001 2HD ARG 59 2HD ARG 59 16.436 14.123 0.030 1002 HE ARG 59 HE ARG 59 14.326 12.394 1.247 1003 1HH1 ARG 59 1HH1 ARG 59 14.753 13.868 -1.655 1004 2HH1 ARG 59 2HH1 ARG 59 13.493 15.045 -1.495 1005 1HH2 ARG 59 1HH2 ARG 59 13.084 14.604 1.878 1006 2HH2 ARG 59 2HH2 ARG 59 12.202 14.987 0.438 1007 H GLU 60 H GLU 60 20.384 11.110 -2.749 1008 HA GLU 60 HA GLU 60 21.235 13.450 -4.244 1009 1HB GLU 60 2HB GLU 60 22.482 11.266 -2.870 1010 2HB GLU 60 1HB GLU 60 23.146 11.355 -4.483 1011 1HG GLU 60 2HG GLU 60 22.822 13.983 -3.217 1012 2HG GLU 60 1HG GLU 60 23.942 12.923 -2.360 1013 H TYR 61 H TYR 61 19.928 10.370 -5.073 1014 HA TYR 61 HA TYR 61 20.917 10.499 -7.863 1015 1HB TYR 61 1HB TYR 61 19.558 8.476 -6.140 1016 2HB TYR 61 2HB TYR 61 19.225 8.410 -7.869 1017 HD1 TYR 61 HD2 TYR 61 21.962 8.398 -5.329 1018 HD2 TYR 61 HD1 TYR 61 20.836 7.532 -9.404 1019 HE1 TYR 61 HE2 TYR 61 24.115 7.209 -5.666 1020 HE2 TYR 61 HE1 TYR 61 23.002 6.349 -9.746 1021 HH TYR 61 HH TYR 61 25.618 6.661 -7.729 1022 H ILE 62 H ILE 62 18.130 11.186 -5.897 1023 HA ILE 62 HA ILE 62 16.174 11.266 -8.014 1024 HB ILE 62 HB ILE 62 16.282 12.585 -5.283 1025 1HG1 ILE 62 1HG1 ILE 62 14.553 10.273 -6.126 1026 2HG1 ILE 62 2HG1 ILE 62 16.219 9.997 -5.628 1027 1HG2 ILE 62 3HG2 ILE 62 14.350 12.779 -7.500 1028 2HG2 ILE 62 1HG2 ILE 62 13.636 12.359 -5.943 1029 3HG2 ILE 62 2HG2 ILE 62 14.581 13.839 -6.110 1030 1HD1 ILE 62 1HD1 ILE 62 14.880 11.794 -3.785 1031 2HD1 ILE 62 2HD1 ILE 62 13.985 10.283 -3.944 1032 3HD1 ILE 62 3HD1 ILE 62 15.679 10.257 -3.455 1033 H ASN 63 H ASN 63 18.599 13.501 -6.843 1034 HA ASN 63 HA ASN 63 17.429 15.692 -8.479 1035 1HB ASN 63 2HB ASN 63 19.491 15.567 -6.302 1036 2HB ASN 63 1HB ASN 63 19.478 16.926 -7.398 1037 1HD2 ASN 63 2HD2 ASN 63 17.018 18.622 -6.091 1038 2HD2 ASN 63 1HD2 ASN 63 16.780 17.828 -7.571 1039 H SER 64 H SER 64 20.130 13.467 -8.356 1040 HA SER 64 HA SER 64 21.640 14.861 -10.439 1041 1HB SER 64 2HB SER 64 22.624 13.355 -8.612 1042 2HB SER 64 1HB SER 64 22.017 11.995 -9.554 1043 HG SER 64 HG SER 64 24.188 12.570 -10.072 1044 H LEU 65 H LEU 65 19.048 12.578 -10.341 1045 HA LEU 65 HA LEU 65 19.469 11.141 -12.745 1046 1HB LEU 65 1HB LEU 65 17.110 11.882 -11.093 1047 2HB LEU 65 2HB LEU 65 16.780 11.398 -12.756 1048 HG LEU 65 HG LEU 65 18.665 9.731 -11.132 1049 1HD1 LEU 65 2HD1 LEU 65 16.259 10.350 -10.023 1050 2HD1 LEU 65 3HD1 LEU 65 15.812 8.962 -11.015 1051 3HD1 LEU 65 1HD1 LEU 65 17.072 8.802 -9.793 1052 1HD2 LEU 65 3HD2 LEU 65 17.291 9.599 -13.645 1053 2HD2 LEU 65 1HD2 LEU 65 18.475 8.473 -12.980 1054 3HD2 LEU 65 2HD2 LEU 65 16.761 8.256 -12.632 1055 H GLU 66 H GLU 66 19.147 11.660 -14.900 1056 HA GLU 66 HA GLU 66 18.561 14.526 -15.469 1057 1HB GLU 66 1HB GLU 66 20.711 13.612 -16.316 1058 2HB GLU 66 2HB GLU 66 19.816 12.412 -17.248 1059 1HG GLU 66 1HG GLU 66 18.596 14.342 -18.360 1060 2HG GLU 66 2HG GLU 66 19.751 15.422 -17.579 1061 H MET 67 H MET 67 17.995 11.389 -17.114 1062 HA MET 67 HA MET 67 15.133 11.814 -17.241 1063 1HB MET 67 1HB MET 67 15.916 13.467 -18.943 1064 2HB MET 67 2HB MET 67 16.686 12.149 -19.825 1065 1HG MET 67 1HG MET 67 14.630 11.157 -20.387 1066 2HG MET 67 2HG MET 67 13.766 11.998 -19.099 1067 1HE MET 67 1HE MET 67 12.045 12.526 -20.185 1068 2HE MET 67 3HE MET 67 12.109 14.279 -20.010 1069 3HE MET 67 2HE MET 67 11.796 13.562 -21.590 1070 H SER 68 H SER 68 17.721 10.320 -19.229 1071 HA SER 68 HA SER 68 16.959 7.648 -18.386 1072 1HB SER 68 1HB SER 68 16.460 7.076 -20.932 1073 2HB SER 68 2HB SER 68 15.173 7.636 -19.866 1074 HG SER 68 HG SER 68 14.968 9.254 -21.157 No H/Q in entry = 1074 Start of MODEL 10 1 H SER 1 H SER 1 8.999 -15.986 -2.752 2 HA SER 1 HA SER 1 11.365 -14.384 -3.571 3 1HB SER 1 1HB SER 1 9.013 -13.896 -4.809 4 2HB SER 1 2HB SER 1 8.800 -12.892 -3.375 5 HG SER 1 HG SER 1 9.890 -11.571 -4.654 6 HA PRO 2 HA PRO 2 10.396 -14.410 1.000 7 1HB PRO 2 1HB PRO 2 13.246 -14.532 1.430 8 2HB PRO 2 2HB PRO 2 12.039 -15.766 1.809 9 1HG PRO 2 1HG PRO 2 14.001 -15.805 -0.307 10 2HG PRO 2 2HG PRO 2 12.792 -17.038 0.069 11 1HD PRO 2 1HD PRO 2 12.817 -15.200 -2.155 12 2HD PRO 2 2HD PRO 2 11.604 -16.439 -1.780 13 H TYR 3 H TYR 3 13.128 -12.874 -0.728 14 HA TYR 3 HA TYR 3 12.716 -10.440 0.950 15 1HB TYR 3 1HB TYR 3 15.057 -11.569 -0.549 16 2HB TYR 3 2HB TYR 3 14.970 -9.826 -0.287 17 HD1 TYR 3 HD2 TYR 3 14.075 -9.245 2.258 18 HD2 TYR 3 HD1 TYR 3 16.278 -12.756 1.047 19 HE1 TYR 3 HE2 TYR 3 14.863 -9.560 4.602 20 HE2 TYR 3 HE1 TYR 3 17.066 -13.071 3.392 21 HH TYR 3 HH TYR 3 17.284 -11.044 5.550 22 H SER 4 H SER 4 11.904 -8.618 0.001 23 HA SER 4 HA SER 4 11.523 -8.692 -2.961 24 1HB SER 4 1HB SER 4 9.695 -8.208 -0.859 25 2HB SER 4 2HB SER 4 9.965 -6.650 -1.641 26 HG SER 4 HG SER 4 8.362 -8.404 -2.494 27 H SER 5 H SER 5 12.010 -6.791 -4.158 28 HA SER 5 HA SER 5 13.292 -4.549 -2.706 29 1HB SER 5 1HB SER 5 15.203 -4.671 -4.425 30 2HB SER 5 2HB SER 5 15.225 -5.877 -3.138 31 HG SER 5 HG SER 5 15.521 -6.949 -5.048 32 H ASP 6 H ASP 6 10.821 -4.451 -3.952 33 HA ASP 6 HA ASP 6 11.256 -2.387 -5.924 34 1HB ASP 6 1HB ASP 6 10.373 -3.527 -7.875 35 2HB ASP 6 2HB ASP 6 11.715 -4.455 -7.263 36 H THR 7 H THR 7 8.687 -2.853 -7.274 37 HA THR 7 HA THR 7 7.029 -1.541 -5.350 38 HB THR 7 HB THR 7 6.627 -0.973 -7.613 39 HG1 THR 7 HG1 THR 7 4.681 -1.083 -6.660 40 1HG2 THR 7 2HG2 THR 7 6.571 -3.955 -8.049 41 2HG2 THR 7 3HG2 THR 7 5.848 -2.853 -9.223 42 3HG2 THR 7 1HG2 THR 7 7.569 -2.743 -8.855 43 H THR 8 H THR 8 4.645 -2.433 -5.084 44 HA THR 8 HA THR 8 4.509 -5.351 -4.750 45 HB THR 8 HB THR 8 4.026 -3.654 -2.307 46 HG1 THR 8 HG1 THR 8 6.476 -4.864 -3.058 47 1HG2 THR 8 2HG2 THR 8 3.274 -6.075 -2.513 48 2HG2 THR 8 3HG2 THR 8 4.981 -6.512 -2.581 49 3HG2 THR 8 1HG2 THR 8 4.328 -5.728 -1.143 50 HA PRO 9 HA PRO 9 0.488 -3.787 -6.078 51 1HB PRO 9 1HB PRO 9 -0.448 -6.529 -5.933 52 2HB PRO 9 2HB PRO 9 -0.151 -5.550 -7.375 53 1HG PRO 9 1HG PRO 9 1.456 -7.727 -6.361 54 2HG PRO 9 2HG PRO 9 1.758 -6.743 -7.793 55 1HD PRO 9 1HD PRO 9 3.187 -6.705 -5.331 56 2HD PRO 9 2HD PRO 9 3.439 -5.679 -6.734 57 H CYS 10 H CYS 10 0.032 -2.772 -4.067 58 HA CYS 10 HA CYS 10 -1.418 -4.485 -2.089 59 1HB CYS 10 2HB CYS 10 0.851 -2.663 -1.744 60 2HB CYS 10 1HB CYS 10 -0.453 -2.343 -0.641 61 H CYS 11 H CYS 11 -3.341 -3.689 -1.412 62 HA CYS 11 HA CYS 11 -4.274 -1.254 -2.741 63 1HB CYS 11 2HB CYS 11 -6.223 -2.350 -2.801 64 2HB CYS 11 1HB CYS 11 -5.553 -3.652 -1.865 65 H PHE 12 H PHE 12 -5.021 0.620 -1.578 66 HA PHE 12 HA PHE 12 -3.725 0.864 1.088 67 1HB PHE 12 2HB PHE 12 -3.043 2.544 -0.543 68 2HB PHE 12 1HB PHE 12 -4.725 2.961 -0.862 69 HD1 PHE 12 HD1 PHE 12 -3.165 2.220 2.456 70 HD2 PHE 12 HD2 PHE 12 -4.832 5.238 -0.143 71 HE1 PHE 12 HE1 PHE 12 -3.140 3.854 4.338 72 HE2 PHE 12 HE2 PHE 12 -4.803 6.873 1.739 73 HZ PHE 12 HZ PHE 12 -3.959 6.181 3.980 74 H ALA 13 H ALA 13 -6.563 2.534 -0.283 75 HA ALA 13 HA ALA 13 -7.978 1.963 2.276 76 1HB ALA 13 2HB ALA 13 -8.048 4.180 0.297 77 2HB ALA 13 3HB ALA 13 -9.583 3.754 1.055 78 3HB ALA 13 1HB ALA 13 -8.209 4.238 2.052 79 H TYR 14 H TYR 14 -10.116 1.146 2.251 80 HA TYR 14 HA TYR 14 -10.730 -0.240 -0.290 81 1HB TYR 14 2HB TYR 14 -12.341 -1.509 1.496 82 2HB TYR 14 1HB TYR 14 -10.746 -2.057 1.054 83 HD1 TYR 14 HD2 TYR 14 -8.731 -1.271 2.456 84 HD2 TYR 14 HD1 TYR 14 -12.840 -0.847 3.716 85 HE1 TYR 14 HE2 TYR 14 -7.977 -0.928 4.799 86 HE2 TYR 14 HE1 TYR 14 -12.081 -0.516 6.069 87 HH TYR 14 HH TYR 14 -9.437 0.415 7.044 88 H ILE 15 H ILE 15 -12.857 -0.205 -1.116 89 HA ILE 15 HA ILE 15 -14.339 2.227 -0.417 90 HB ILE 15 HB ILE 15 -14.012 1.566 -2.780 91 1HG1 ILE 15 2HG1 ILE 15 -16.945 1.229 -2.181 92 2HG1 ILE 15 1HG1 ILE 15 -16.136 2.760 -1.843 93 1HG2 ILE 15 3HG2 ILE 15 -14.720 -0.987 -1.767 94 2HG2 ILE 15 1HG2 ILE 15 -15.986 -0.528 -2.906 95 3HG2 ILE 15 2HG2 ILE 15 -14.302 -0.570 -3.429 96 1HD1 ILE 15 2HD1 ILE 15 -15.249 2.069 -4.400 97 2HD1 ILE 15 3HD1 ILE 15 -16.959 1.632 -4.404 98 3HD1 ILE 15 1HD1 ILE 15 -16.470 3.283 -4.016 99 H ALA 16 H ALA 16 -16.505 2.268 0.322 100 HA ALA 16 HA ALA 16 -17.319 -0.168 1.817 101 1HB ALA 16 1HB ALA 16 -18.076 2.749 1.967 102 2HB ALA 16 2HB ALA 16 -19.064 1.512 2.747 103 3HB ALA 16 3HB ALA 16 -17.381 1.729 3.226 104 H ARG 17 H ARG 17 -18.141 -1.382 0.023 105 HA ARG 17 HA ARG 17 -20.884 -1.126 -0.549 106 1HB ARG 17 2HB ARG 17 -19.393 0.790 -1.970 107 2HB ARG 17 1HB ARG 17 -19.777 -0.454 -3.134 108 1HG ARG 17 1HG ARG 17 -22.177 -0.292 -1.979 109 2HG ARG 17 2HG ARG 17 -21.611 1.337 -1.606 110 1HD ARG 17 1HD ARG 17 -21.388 0.210 -4.396 111 2HD ARG 17 2HD ARG 17 -22.871 0.986 -3.843 112 HE ARG 17 HE ARG 17 -20.679 2.711 -3.256 113 1HH1 ARG 17 2HH1 ARG 17 -22.721 4.251 -4.718 114 2HH1 ARG 17 1HH1 ARG 17 -22.968 3.362 -6.184 115 1HH2 ARG 17 2HH2 ARG 17 -19.887 1.893 -6.093 116 2HH2 ARG 17 1HH2 ARG 17 -20.277 3.473 -6.685 117 HA PRO 18 HA PRO 18 -19.185 -5.206 -1.559 118 1HB PRO 18 2HB PRO 18 -21.896 -6.063 -2.036 119 2HB PRO 18 1HB PRO 18 -20.838 -6.517 -0.729 120 1HG PRO 18 1HG PRO 18 -23.092 -4.730 -0.614 121 2HG PRO 18 2HG PRO 18 -22.023 -5.205 0.709 122 1HD PRO 18 2HD PRO 18 -22.154 -2.658 -0.582 123 2HD PRO 18 1HD PRO 18 -21.015 -3.163 0.655 124 H LEU 19 H LEU 19 -18.247 -4.845 -3.549 125 HA LEU 19 HA LEU 19 -19.511 -3.904 -5.893 126 1HB LEU 19 2HB LEU 19 -17.248 -5.902 -5.764 127 2HB LEU 19 1HB LEU 19 -17.603 -4.831 -7.091 128 HG LEU 19 HG LEU 19 -16.669 -4.053 -4.322 129 1HD1 LEU 19 2HD1 LEU 19 -15.319 -4.679 -6.753 130 2HD1 LEU 19 3HD1 LEU 19 -15.149 -2.946 -6.477 131 3HD1 LEU 19 1HD1 LEU 19 -14.621 -4.091 -5.244 132 1HD2 LEU 19 1HD2 LEU 19 -18.063 -2.517 -6.423 133 2HD2 LEU 19 2HD2 LEU 19 -17.882 -2.163 -4.705 134 3HD2 LEU 19 3HD2 LEU 19 -16.580 -1.768 -5.828 135 HA PRO 20 HA PRO 20 -22.204 -7.416 -6.645 136 1HB PRO 20 1HB PRO 20 -22.497 -6.573 -9.404 137 2HB PRO 20 2HB PRO 20 -23.682 -6.465 -8.097 138 1HG PRO 20 1HG PRO 20 -22.202 -4.311 -9.288 139 2HG PRO 20 2HG PRO 20 -23.328 -4.217 -7.930 140 1HD PRO 20 1HD PRO 20 -20.446 -3.984 -7.875 141 2HD PRO 20 2HD PRO 20 -21.578 -3.849 -6.517 142 H ARG 21 H ARG 21 -21.399 -9.425 -7.108 143 HA ARG 21 HA ARG 21 -18.917 -9.970 -8.271 144 1HB ARG 21 2HB ARG 21 -20.557 -11.557 -7.043 145 2HB ARG 21 1HB ARG 21 -21.241 -11.852 -8.623 146 1HG ARG 21 2HG ARG 21 -18.276 -12.024 -8.316 147 2HG ARG 21 1HG ARG 21 -19.244 -13.344 -7.706 148 1HD ARG 21 2HD ARG 21 -20.159 -12.522 -10.334 149 2HD ARG 21 1HD ARG 21 -18.449 -12.951 -10.364 150 HE ARG 21 HE ARG 21 -19.688 -14.999 -8.922 151 1HH1 ARG 21 2HH1 ARG 21 -18.989 -14.426 -12.345 152 2HH1 ARG 21 1HH1 ARG 21 -19.002 -16.149 -12.164 153 1HH2 ARG 21 2HH2 ARG 21 -21.790 -15.939 -10.090 154 2HH2 ARG 21 1HH2 ARG 21 -21.780 -15.728 -11.809 155 H ALA 22 H ALA 22 -21.944 -9.265 -9.877 156 HA ALA 22 HA ALA 22 -21.191 -10.308 -12.464 157 1HB ALA 22 2HB ALA 22 -23.549 -9.726 -11.722 158 2HB ALA 22 3HB ALA 22 -23.110 -8.029 -11.917 159 3HB ALA 22 1HB ALA 22 -23.098 -9.109 -13.311 160 H HIS 23 H HIS 23 -21.040 -7.064 -10.992 161 HA HIS 23 HA HIS 23 -19.836 -5.827 -13.306 162 1HB HIS 23 2HB HIS 23 -19.728 -4.974 -10.402 163 2HB HIS 23 1HB HIS 23 -19.333 -3.968 -11.772 164 HD2 HIS 23 HD2 HIS 23 -22.475 -6.134 -12.366 165 HE1 HIS 23 HE1 HIS 23 -23.831 -2.284 -11.267 166 HE2 HIS 23 HE2 HIS 23 -24.543 -4.556 -12.163 167 H ILE 24 H ILE 24 -18.589 -7.761 -10.685 168 HA ILE 24 HA ILE 24 -15.846 -6.828 -11.131 169 HB ILE 24 HB ILE 24 -16.707 -9.184 -9.467 170 1HG1 ILE 24 2HG1 ILE 24 -16.392 -6.282 -8.646 171 2HG1 ILE 24 1HG1 ILE 24 -17.923 -7.152 -8.753 172 1HG2 ILE 24 2HG2 ILE 24 -14.203 -7.624 -9.883 173 2HG2 ILE 24 3HG2 ILE 24 -14.546 -8.172 -8.243 174 3HG2 ILE 24 1HG2 ILE 24 -14.412 -9.344 -9.553 175 1HD1 ILE 24 2HD1 ILE 24 -16.214 -8.770 -7.187 176 2HD1 ILE 24 3HD1 ILE 24 -16.004 -7.122 -6.592 177 3HD1 ILE 24 1HD1 ILE 24 -17.612 -7.848 -6.633 178 H LYS 25 H LYS 25 -14.116 -8.503 -11.631 179 HA LYS 25 HA LYS 25 -15.181 -10.580 -13.507 180 1HB LYS 25 1HB LYS 25 -12.705 -8.852 -13.793 181 2HB LYS 25 2HB LYS 25 -13.088 -10.215 -14.843 182 1HG LYS 25 1HG LYS 25 -15.419 -8.917 -15.038 183 2HG LYS 25 2HG LYS 25 -14.392 -7.534 -14.656 184 1HD LYS 25 1HD LYS 25 -13.990 -7.512 -16.900 185 2HD LYS 25 2HD LYS 25 -12.866 -8.819 -16.527 186 1HE LYS 25 1HE LYS 25 -15.137 -10.255 -16.726 187 2HE LYS 25 2HE LYS 25 -15.547 -8.932 -17.817 188 1HZ LYS 25 3HZ LYS 25 -13.455 -9.323 -18.990 189 2HZ LYS 25 1HZ LYS 25 -13.119 -10.636 -17.965 190 3HZ LYS 25 2HZ LYS 25 -14.453 -10.697 -19.015 191 H GLU 26 H GLU 26 -12.767 -9.725 -11.084 192 HA GLU 26 HA GLU 26 -12.368 -12.517 -10.386 193 1HB GLU 26 1HB GLU 26 -9.741 -12.055 -10.716 194 2HB GLU 26 2HB GLU 26 -10.718 -12.740 -11.993 195 1HG GLU 26 2HG GLU 26 -10.748 -9.814 -11.983 196 2HG GLU 26 1HG GLU 26 -9.159 -10.488 -12.234 197 H TYR 27 H TYR 27 -9.905 -12.065 -8.907 198 HA TYR 27 HA TYR 27 -10.253 -9.620 -7.396 199 1HB TYR 27 1HB TYR 27 -10.745 -10.688 -5.250 200 2HB TYR 27 2HB TYR 27 -11.997 -11.102 -6.394 201 HD1 TYR 27 HD2 TYR 27 -8.942 -12.341 -4.680 202 HD2 TYR 27 HD1 TYR 27 -12.324 -13.377 -7.157 203 HE1 TYR 27 HE2 TYR 27 -8.447 -14.760 -4.343 204 HE2 TYR 27 HE1 TYR 27 -11.830 -15.796 -6.817 205 HH TYR 27 HH TYR 27 -8.921 -16.934 -5.646 206 H PHE 28 H PHE 28 -8.650 -9.836 -5.343 207 HA PHE 28 HA PHE 28 -6.410 -11.596 -6.016 208 1HB PHE 28 2HB PHE 28 -5.877 -9.765 -7.477 209 2HB PHE 28 1HB PHE 28 -6.240 -8.581 -6.224 210 HD1 PHE 28 HD1 PHE 28 -3.915 -11.418 -7.043 211 HD2 PHE 28 HD2 PHE 28 -4.548 -7.803 -4.770 212 HE1 PHE 28 HE1 PHE 28 -1.545 -11.490 -6.268 213 HE2 PHE 28 HE2 PHE 28 -2.180 -7.874 -3.996 214 HZ PHE 28 HZ PHE 28 -0.680 -9.720 -4.740 215 H TYR 29 H TYR 29 -6.992 -12.387 -3.840 216 HA TYR 29 HA TYR 29 -6.977 -10.722 -1.520 217 1HB TYR 29 1HB TYR 29 -7.830 -13.023 -1.472 218 2HB TYR 29 2HB TYR 29 -6.212 -13.641 -1.786 219 HD1 TYR 29 HD2 TYR 29 -7.576 -10.983 0.501 220 HD2 TYR 29 HD1 TYR 29 -5.324 -14.646 0.133 221 HE1 TYR 29 HE2 TYR 29 -7.063 -10.912 2.940 222 HE2 TYR 29 HE1 TYR 29 -4.828 -14.588 2.574 223 HH TYR 29 HH TYR 29 -6.476 -12.776 4.744 224 H THR 30 H THR 30 -5.327 -9.812 -0.445 225 HA THR 30 HA THR 30 -2.569 -10.309 -1.439 226 HB THR 30 HB THR 30 -1.974 -8.229 -0.328 227 HG1 THR 30 HG1 THR 30 -3.272 -8.460 1.501 228 1HG2 THR 30 1HG2 THR 30 -3.930 -8.470 -2.372 229 2HG2 THR 30 2HG2 THR 30 -4.441 -7.141 -1.332 230 3HG2 THR 30 3HG2 THR 30 -2.844 -7.112 -2.079 231 H SER 31 H SER 31 -1.025 -11.271 -0.170 232 HA SER 31 HA SER 31 -1.775 -12.803 2.111 233 1HB SER 31 1HB SER 31 0.674 -12.220 0.632 234 2HB SER 31 2HB SER 31 0.970 -12.378 2.363 235 HG SER 31 HG SER 31 -0.293 -14.348 2.228 236 H GLY 32 H GLY 32 -0.399 -9.564 1.804 237 1HA GLY 32 2HA GLY 32 -0.978 -7.906 3.548 238 2HA GLY 32 1HA GLY 32 -0.859 -9.205 4.736 239 H LYS 33 H LYS 33 1.155 -7.592 2.249 240 HA LYS 33 HA LYS 33 3.508 -8.061 4.028 241 1HB LYS 33 1HB LYS 33 3.447 -7.393 1.068 242 2HB LYS 33 2HB LYS 33 4.884 -7.767 2.018 243 1HG LYS 33 1HG LYS 33 3.271 -9.924 2.558 244 2HG LYS 33 2HG LYS 33 2.860 -9.583 0.895 245 1HD LYS 33 2HD LYS 33 5.431 -9.422 0.531 246 2HD LYS 33 1HD LYS 33 5.546 -10.272 2.052 247 1HE LYS 33 1HE LYS 33 3.594 -11.672 0.614 248 2HE LYS 33 2HE LYS 33 4.845 -11.301 -0.572 249 1HZ LYS 33 3HZ LYS 33 6.482 -12.160 1.076 250 2HZ LYS 33 1HZ LYS 33 5.179 -12.701 2.020 251 3HZ LYS 33 2HZ LYS 33 5.422 -13.337 0.464 252 H CYS 34 H CYS 34 1.627 -5.575 2.388 253 HA CYS 34 HA CYS 34 3.596 -3.518 3.246 254 1HB CYS 34 2HB CYS 34 1.058 -2.757 1.868 255 2HB CYS 34 1HB CYS 34 2.667 -2.065 1.711 256 H SER 35 H SER 35 1.795 -4.993 5.167 257 HA SER 35 HA SER 35 0.558 -4.392 7.086 258 1HB SER 35 1HB SER 35 2.061 -2.017 6.311 259 2HB SER 35 2HB SER 35 0.518 -1.584 7.046 260 HG SER 35 HG SER 35 2.662 -2.279 8.297 261 H ASN 36 H ASN 36 -0.578 -4.361 4.204 262 HA ASN 36 HA ASN 36 -3.117 -2.954 4.927 263 1HB ASN 36 1HB ASN 36 -1.438 -2.719 2.473 264 2HB ASN 36 2HB ASN 36 -3.171 -2.721 2.255 265 1HD2 ASN 36 2HD2 ASN 36 -2.718 -0.207 5.169 266 2HD2 ASN 36 1HD2 ASN 36 -4.057 -1.044 4.548 267 HA PRO 37 HA PRO 37 -3.598 -7.489 3.726 268 1HB PRO 37 1HB PRO 37 -5.318 -7.752 6.031 269 2HB PRO 37 2HB PRO 37 -3.764 -8.541 5.743 270 1HG PRO 37 2HG PRO 37 -4.335 -6.402 7.588 271 2HG PRO 37 1HG PRO 37 -2.793 -7.181 7.299 272 1HD PRO 37 1HD PRO 37 -3.597 -4.539 6.507 273 2HD PRO 37 2HD PRO 37 -2.052 -5.323 6.212 274 H ALA 38 H ALA 38 -5.298 -7.848 2.306 275 HA ALA 38 HA ALA 38 -8.024 -7.118 2.901 276 1HB ALA 38 2HB ALA 38 -6.763 -4.885 2.332 277 2HB ALA 38 3HB ALA 38 -6.870 -5.462 0.669 278 3HB ALA 38 1HB ALA 38 -8.340 -5.193 1.606 279 H VAL 39 H VAL 39 -8.896 -6.702 0.250 280 HA VAL 39 HA VAL 39 -7.895 -9.027 -1.272 281 HB VAL 39 HB VAL 39 -10.154 -9.260 0.285 282 1HG1 VAL 39 1HG1 VAL 39 -11.244 -7.605 -1.399 283 2HG1 VAL 39 2HG1 VAL 39 -11.260 -8.989 -2.492 284 3HG1 VAL 39 3HG1 VAL 39 -12.129 -9.066 -0.959 285 1HG2 VAL 39 2HG2 VAL 39 -8.934 -10.674 -1.972 286 2HG2 VAL 39 3HG2 VAL 39 -9.472 -11.292 -0.410 287 3HG2 VAL 39 1HG2 VAL 39 -10.636 -11.059 -1.714 288 H VAL 40 H VAL 40 -7.879 -8.502 -3.441 289 HA VAL 40 HA VAL 40 -9.003 -5.803 -4.002 290 HB VAL 40 HB VAL 40 -6.478 -7.111 -4.982 291 1HG1 VAL 40 3HG1 VAL 40 -8.084 -5.274 -6.404 292 2HG1 VAL 40 1HG1 VAL 40 -6.788 -4.326 -5.687 293 3HG1 VAL 40 2HG1 VAL 40 -6.405 -5.692 -6.728 294 1HG2 VAL 40 2HG2 VAL 40 -7.124 -4.616 -3.393 295 2HG2 VAL 40 3HG2 VAL 40 -6.482 -6.119 -2.728 296 3HG2 VAL 40 1HG2 VAL 40 -5.497 -5.152 -3.829 297 H PHE 41 H PHE 41 -10.756 -5.967 -5.170 298 HA PHE 41 HA PHE 41 -11.150 -8.115 -7.048 299 1HB PHE 41 1HB PHE 41 -12.734 -5.644 -6.361 300 2HB PHE 41 2HB PHE 41 -13.233 -6.753 -7.636 301 HD1 PHE 41 HD2 PHE 41 -12.950 -9.393 -6.787 302 HD2 PHE 41 HD1 PHE 41 -13.829 -5.947 -4.338 303 HE1 PHE 41 HE2 PHE 41 -14.089 -10.864 -5.123 304 HE2 PHE 41 HE1 PHE 41 -14.977 -7.414 -2.687 305 HZ PHE 41 HZ PHE 41 -15.116 -9.868 -3.082 306 H VAL 42 H VAL 42 -11.205 -8.052 -9.166 307 HA VAL 42 HA VAL 42 -10.037 -5.656 -10.526 308 HB VAL 42 HB VAL 42 -9.700 -7.913 -12.183 309 1HG1 VAL 42 3HG2 VAL 42 -8.036 -6.093 -10.518 310 2HG1 VAL 42 1HG2 VAL 42 -7.244 -7.519 -11.183 311 3HG1 VAL 42 2HG2 VAL 42 -7.997 -6.347 -12.267 312 1HG2 VAL 42 2HG1 VAL 42 -8.814 -8.518 -9.351 313 2HG2 VAL 42 3HG1 VAL 42 -10.051 -9.387 -10.247 314 3HG2 VAL 42 1HG1 VAL 42 -8.379 -9.451 -10.784 315 H THR 43 H THR 43 -12.270 -4.899 -10.782 316 HA THR 43 HA THR 43 -14.327 -6.628 -11.896 317 HB THR 43 HB THR 43 -15.831 -4.842 -11.472 318 HG1 THR 43 HG1 THR 43 -13.602 -3.103 -11.333 319 1HG2 THR 43 1HG2 THR 43 -14.637 -5.789 -9.441 320 2HG2 THR 43 2HG2 THR 43 -13.603 -4.360 -9.480 321 3HG2 THR 43 3HG2 THR 43 -15.338 -4.187 -9.220 322 H ARG 44 H ARG 44 -15.712 -4.481 -13.372 323 HA ARG 44 HA ARG 44 -14.899 -5.198 -16.036 324 1HB ARG 44 2HB ARG 44 -16.663 -3.467 -16.663 325 2HB ARG 44 1HB ARG 44 -17.239 -4.747 -15.592 326 1HG ARG 44 1HG ARG 44 -17.670 -3.265 -13.937 327 2HG ARG 44 2HG ARG 44 -16.064 -2.554 -14.079 328 1HD ARG 44 1HD ARG 44 -17.847 -0.901 -14.553 329 2HD ARG 44 2HD ARG 44 -16.815 -1.172 -15.957 330 HE ARG 44 HE ARG 44 -18.625 -2.423 -16.986 331 1HH1 ARG 44 2HH2 ARG 44 -19.378 -2.168 -13.710 332 2HH1 ARG 44 1HH2 ARG 44 -21.022 -1.668 -13.934 333 1HH2 ARG 44 2HH1 ARG 44 -21.219 -2.338 -17.068 334 2HH2 ARG 44 1HH1 ARG 44 -21.433 -0.768 -16.368 335 H LYS 45 H LYS 45 -12.718 -4.316 -15.536 336 HA LYS 45 HA LYS 45 -11.804 -2.259 -17.092 337 1HB LYS 45 2HB LYS 45 -13.067 -0.641 -15.683 338 2HB LYS 45 1HB LYS 45 -12.266 -1.275 -14.245 339 1HG LYS 45 1HG LYS 45 -11.013 0.660 -14.845 340 2HG LYS 45 2HG LYS 45 -10.057 -0.701 -15.431 341 1HD LYS 45 1HD LYS 45 -11.134 -0.420 -17.677 342 2HD LYS 45 2HD LYS 45 -11.937 1.026 -17.069 343 1HE LYS 45 1HE LYS 45 -9.123 1.158 -16.451 344 2HE LYS 45 2HE LYS 45 -9.334 0.838 -18.173 345 1HZ LYS 45 1HZ LYS 45 -10.670 3.012 -16.654 346 2HZ LYS 45 2HZ LYS 45 -9.338 3.210 -17.689 347 3HZ LYS 45 3HZ LYS 45 -10.834 2.711 -18.318 348 H ASN 46 H ASN 46 -11.770 -3.856 -14.011 349 HA ASN 46 HA ASN 46 -10.296 -5.246 -13.001 350 1HB ASN 46 1HB ASN 46 -9.366 -5.132 -15.760 351 2HB ASN 46 2HB ASN 46 -8.038 -5.341 -14.654 352 1HD2 ASN 46 2HD2 ASN 46 -8.337 -8.364 -13.843 353 2HD2 ASN 46 1HD2 ASN 46 -8.061 -8.008 -15.480 354 H ARG 47 H ARG 47 -10.118 -2.214 -12.911 355 HA ARG 47 HA ARG 47 -7.357 -1.632 -12.241 356 1HB ARG 47 1HB ARG 47 -9.916 -0.537 -11.001 357 2HB ARG 47 2HB ARG 47 -8.303 0.125 -10.746 358 1HG ARG 47 1HG ARG 47 -8.976 -0.167 -13.582 359 2HG ARG 47 2HG ARG 47 -10.069 0.920 -12.724 360 1HD ARG 47 1HD ARG 47 -7.313 1.367 -11.919 361 2HD ARG 47 2HD ARG 47 -7.497 1.536 -13.665 362 HE ARG 47 HE ARG 47 -9.567 3.039 -12.845 363 1HH1 ARG 47 1HH1 ARG 47 -8.431 3.308 -10.034 364 2HH1 ARG 47 2HH1 ARG 47 -6.939 4.161 -10.253 365 1HH2 ARG 47 2HH2 ARG 47 -6.686 4.847 -13.037 366 2HH2 ARG 47 1HH2 ARG 47 -8.161 5.681 -12.678 367 H GLN 48 H GLN 48 -6.500 -1.926 -9.943 368 HA GLN 48 HA GLN 48 -7.721 -4.371 -8.937 369 1HB GLN 48 1HB GLN 48 -5.118 -3.051 -8.692 370 2HB GLN 48 2HB GLN 48 -5.644 -3.902 -7.239 371 1HG GLN 48 1HG GLN 48 -6.147 -5.897 -8.618 372 2HG GLN 48 2HG GLN 48 -5.617 -5.043 -10.054 373 1HE2 GLN 48 2HE2 GLN 48 -3.362 -7.025 -7.536 374 2HE2 GLN 48 1HE2 GLN 48 -3.945 -7.513 -9.054 375 H VAL 49 H VAL 49 -9.610 -3.224 -8.464 376 HA VAL 49 HA VAL 49 -9.967 -1.235 -6.508 377 HB VAL 49 HB VAL 49 -12.089 -3.278 -6.659 378 1HG1 VAL 49 1HG1 VAL 49 -11.849 -0.297 -7.039 379 2HG1 VAL 49 2HG1 VAL 49 -13.374 -1.160 -7.243 380 3HG1 VAL 49 3HG1 VAL 49 -12.564 -1.161 -5.677 381 1HG2 VAL 49 3HG2 VAL 49 -11.093 -1.883 -9.171 382 2HG2 VAL 49 1HG2 VAL 49 -11.429 -3.603 -8.981 383 3HG2 VAL 49 2HG2 VAL 49 -12.755 -2.439 -9.012 384 H CYS 50 H CYS 50 -10.647 -1.492 -4.258 385 HA CYS 50 HA CYS 50 -9.664 -4.045 -3.069 386 1HB CYS 50 2HB CYS 50 -8.779 -1.558 -2.481 387 2HB CYS 50 1HB CYS 50 -10.098 -1.676 -1.347 388 H ALA 51 H ALA 51 -10.869 -3.928 -0.595 389 HA ALA 51 HA ALA 51 -13.510 -3.086 -0.339 390 1HB ALA 51 2HB ALA 51 -13.213 -5.431 -2.127 391 2HB ALA 51 3HB ALA 51 -14.470 -5.563 -0.900 392 3HB ALA 51 1HB ALA 51 -14.504 -4.231 -2.051 393 H ASN 52 H ASN 52 -11.135 -3.935 1.226 394 HA ASN 52 HA ASN 52 -10.794 -4.818 3.352 395 1HB ASN 52 1HB ASN 52 -13.105 -3.838 3.679 396 2HB ASN 52 2HB ASN 52 -13.753 -5.432 3.288 397 1HD2 ASN 52 2HD2 ASN 52 -11.452 -5.047 6.686 398 2HD2 ASN 52 1HD2 ASN 52 -11.800 -3.673 5.753 399 HA PRO 53 HA PRO 53 -10.459 -9.140 2.394 400 1HB PRO 53 1HB PRO 53 -9.181 -9.896 4.727 401 2HB PRO 53 2HB PRO 53 -8.362 -9.111 3.389 402 1HG PRO 53 1HG PRO 53 -9.081 -8.004 6.033 403 2HG PRO 53 2HG PRO 53 -7.890 -7.425 4.885 404 1HD PRO 53 1HD PRO 53 -10.497 -6.354 5.344 405 2HD PRO 53 2HD PRO 53 -9.350 -5.849 4.112 406 H GLU 54 H GLU 54 -11.722 -8.025 5.513 407 HA GLU 54 HA GLU 54 -13.222 -10.595 5.784 408 1HB GLU 54 1HB GLU 54 -12.348 -8.617 7.907 409 2HB GLU 54 2HB GLU 54 -13.290 -10.076 8.213 410 1HG GLU 54 1HG GLU 54 -11.439 -11.426 7.211 411 2HG GLU 54 2HG GLU 54 -10.495 -9.947 7.039 412 H LYS 55 H LYS 55 -14.248 -8.375 4.192 413 HA LYS 55 HA LYS 55 -16.349 -7.174 5.896 414 1HB LYS 55 2HB LYS 55 -15.232 -6.609 3.237 415 2HB LYS 55 1HB LYS 55 -16.985 -6.462 3.314 416 1HG LYS 55 1HG LYS 55 -15.390 -5.259 5.537 417 2HG LYS 55 2HG LYS 55 -15.372 -4.434 3.979 418 1HD LYS 55 1HD LYS 55 -17.464 -3.653 4.292 419 2HD LYS 55 2HD LYS 55 -18.066 -5.266 4.676 420 1HE LYS 55 1HE LYS 55 -16.403 -3.929 6.753 421 2HE LYS 55 2HE LYS 55 -18.018 -3.272 6.489 422 1HZ LYS 55 3HZ LYS 55 -17.869 -6.159 6.618 423 2HZ LYS 55 1HZ LYS 55 -17.487 -5.362 8.068 424 3HZ LYS 55 2HZ LYS 55 -18.989 -5.094 7.321 425 H LYS 56 H LYS 56 -16.339 -10.075 5.516 426 HA LYS 56 HA LYS 56 -17.808 -11.814 5.035 427 1HB LYS 56 1HB LYS 56 -19.581 -9.418 5.377 428 2HB LYS 56 2HB LYS 56 -20.286 -10.956 4.878 429 1HG LYS 56 1HG LYS 56 -19.869 -11.956 6.898 430 2HG LYS 56 2HG LYS 56 -18.365 -11.065 7.143 431 1HD LYS 56 1HD LYS 56 -20.686 -9.298 7.131 432 2HD LYS 56 2HD LYS 56 -20.808 -10.533 8.384 433 1HE LYS 56 1HE LYS 56 -19.045 -9.689 9.564 434 2HE LYS 56 2HE LYS 56 -18.143 -9.272 8.107 435 1HZ LYS 56 3HZ LYS 56 -19.922 -7.480 7.815 436 2HZ LYS 56 1HZ LYS 56 -20.282 -7.748 9.454 437 3HZ LYS 56 2HZ LYS 56 -18.729 -7.230 8.998 438 H TRP 57 H TRP 57 -19.791 -9.550 3.212 439 HA TRP 57 HA TRP 57 -20.229 -11.111 0.987 440 1HB TRP 57 1HB TRP 57 -20.778 -9.072 -0.213 441 2HB TRP 57 2HB TRP 57 -21.325 -8.934 1.462 442 HD1 TRP 57 HD1 TRP 57 -20.338 -6.928 2.810 443 HE1 TRP 57 HE1 TRP 57 -18.651 -5.067 2.214 444 HE3 TRP 57 HE3 TRP 57 -18.627 -8.771 -1.575 445 HZ2 TRP 57 HZ2 TRP 57 -16.788 -4.453 0.086 446 HZ3 TRP 57 HZ3 TRP 57 -17.015 -7.524 -2.945 447 HH2 TRP 57 HH2 TRP 57 -16.103 -5.357 -2.139 448 H VAL 58 H VAL 58 -17.271 -9.301 1.619 449 HA VAL 58 HA VAL 58 -16.211 -9.378 -1.029 450 HB VAL 58 HB VAL 58 -13.929 -9.612 0.294 451 1HG1 VAL 58 2HG1 VAL 58 -15.266 -7.588 -0.788 452 2HG1 VAL 58 3HG1 VAL 58 -15.367 -7.092 0.899 453 3HG1 VAL 58 1HG1 VAL 58 -13.794 -7.347 0.143 454 1HG2 VAL 58 2HG2 VAL 58 -15.658 -10.011 2.380 455 2HG2 VAL 58 3HG2 VAL 58 -13.983 -9.487 2.528 456 3HG2 VAL 58 1HG2 VAL 58 -15.282 -8.298 2.508 457 H ARG 59 H ARG 59 -15.672 -11.720 1.636 458 HA ARG 59 HA ARG 59 -14.239 -13.587 0.011 459 1HB ARG 59 2HB ARG 59 -15.350 -13.506 2.707 460 2HB ARG 59 1HB ARG 59 -15.517 -15.087 1.983 461 1HG ARG 59 1HG ARG 59 -12.934 -14.276 1.279 462 2HG ARG 59 2HG ARG 59 -13.121 -13.760 2.955 463 1HD ARG 59 1HD ARG 59 -12.604 -15.905 3.485 464 2HD ARG 59 2HD ARG 59 -14.251 -16.280 2.979 465 HE ARG 59 HE ARG 59 -12.492 -16.269 0.701 466 1HH1 ARG 59 1HH2 ARG 59 -14.567 -18.556 1.969 467 2HH1 ARG 59 2HH2 ARG 59 -13.393 -19.298 3.003 468 1HH2 ARG 59 1HH1 ARG 59 -11.476 -18.679 0.208 469 2HH2 ARG 59 2HH1 ARG 59 -10.971 -19.044 1.823 470 H GLU 60 H GLU 60 -17.661 -13.052 0.615 471 HA GLU 60 HA GLU 60 -18.649 -15.508 -0.456 472 1HB GLU 60 1HB GLU 60 -19.750 -12.792 0.042 473 2HB GLU 60 2HB GLU 60 -20.608 -13.774 -1.147 474 1HG GLU 60 1HG GLU 60 -20.544 -15.651 0.594 475 2HG GLU 60 2HG GLU 60 -20.047 -14.437 1.745 476 H TYR 61 H TYR 61 -17.353 -12.638 -1.945 477 HA TYR 61 HA TYR 61 -18.258 -13.494 -4.630 478 1HB TYR 61 1HB TYR 61 -16.591 -11.103 -3.781 479 2HB TYR 61 2HB TYR 61 -17.216 -11.394 -5.401 480 HD1 TYR 61 HD2 TYR 61 -19.836 -12.689 -3.695 481 HD2 TYR 61 HD1 TYR 61 -17.874 -8.866 -4.155 482 HE1 TYR 61 HE2 TYR 61 -21.960 -11.526 -3.109 483 HE2 TYR 61 HE1 TYR 61 -20.003 -7.708 -3.577 484 HH TYR 61 HH TYR 61 -23.027 -9.492 -3.187 485 H ILE 62 H ILE 62 -15.413 -13.525 -2.586 486 HA ILE 62 HA ILE 62 -13.452 -13.941 -4.631 487 HB ILE 62 HB ILE 62 -13.626 -14.360 -1.681 488 1HG1 ILE 62 2HG1 ILE 62 -11.423 -13.153 -1.863 489 2HG1 ILE 62 1HG1 ILE 62 -11.649 -13.102 -3.592 490 1HG2 ILE 62 3HG2 ILE 62 -11.561 -15.750 -3.415 491 2HG2 ILE 62 1HG2 ILE 62 -11.349 -15.452 -1.690 492 3HG2 ILE 62 2HG2 ILE 62 -12.652 -16.501 -2.250 493 1HD1 ILE 62 3HD1 ILE 62 -13.934 -12.016 -3.074 494 2HD1 ILE 62 1HD1 ILE 62 -13.291 -11.764 -1.451 495 3HD1 ILE 62 2HD1 ILE 62 -12.495 -11.027 -2.839 496 H ASN 63 H ASN 63 -15.276 -16.293 -2.632 497 HA ASN 63 HA ASN 63 -14.295 -18.568 -4.145 498 1HB ASN 63 2HB ASN 63 -16.177 -18.099 -1.914 499 2HB ASN 63 1HB ASN 63 -16.570 -19.482 -2.936 500 1HD2 ASN 63 1HD2 ASN 63 -13.873 -19.524 -0.127 501 2HD2 ASN 63 2HD2 ASN 63 -13.513 -18.223 -1.156 502 H SER 64 H SER 64 -17.263 -16.617 -4.185 503 HA SER 64 HA SER 64 -18.701 -18.198 -6.076 504 1HB SER 64 2HB SER 64 -18.793 -15.237 -5.468 505 2HB SER 64 1HB SER 64 -19.918 -16.028 -6.545 506 HG SER 64 HG SER 64 -20.445 -17.432 -4.790 507 H LEU 65 H LEU 65 -15.991 -16.071 -6.451 508 HA LEU 65 HA LEU 65 -16.426 -15.625 -9.314 509 1HB LEU 65 2HB LEU 65 -14.254 -14.952 -7.353 510 2HB LEU 65 1HB LEU 65 -13.931 -14.843 -9.066 511 HG LEU 65 HG LEU 65 -16.405 -13.572 -7.931 512 1HD1 LEU 65 1HD1 LEU 65 -14.367 -12.831 -6.614 513 2HD1 LEU 65 2HD1 LEU 65 -13.711 -12.199 -8.123 514 3HD1 LEU 65 3HD1 LEU 65 -15.206 -11.536 -7.465 515 1HD2 LEU 65 3HD2 LEU 65 -15.594 -13.884 -10.470 516 2HD2 LEU 65 1HD2 LEU 65 -16.465 -12.445 -9.940 517 3HD2 LEU 65 2HD2 LEU 65 -14.709 -12.407 -10.092 518 H GLU 66 H GLU 66 -15.482 -16.786 -10.981 519 HA GLU 66 HA GLU 66 -13.720 -19.069 -10.187 520 1HB GLU 66 1HB GLU 66 -15.740 -19.143 -12.440 521 2HB GLU 66 2HB GLU 66 -14.831 -20.495 -11.765 522 1HG GLU 66 1HG GLU 66 -16.104 -19.434 -9.545 523 2HG GLU 66 2HG GLU 66 -17.314 -19.255 -10.814 524 H MET 67 H MET 67 -13.146 -19.966 -12.775 525 HA MET 67 HA MET 67 -11.595 -17.641 -13.821 526 1HB MET 67 1HB MET 67 -10.508 -19.895 -13.023 527 2HB MET 67 2HB MET 67 -11.057 -20.497 -14.588 528 1HG MET 67 1HG MET 67 -9.921 -18.422 -15.597 529 2HG MET 67 2HG MET 67 -9.136 -18.232 -14.029 530 1HE MET 67 1HE MET 67 -7.369 -18.036 -15.498 531 2HE MET 67 3HE MET 67 -6.175 -19.230 -14.989 532 3HE MET 67 2HE MET 67 -6.753 -19.217 -16.654 533 H SER 68 H SER 68 -14.438 -18.256 -14.457 534 HA SER 68 HA SER 68 -14.436 -19.317 -17.181 535 1HB SER 68 1HB SER 68 -16.450 -19.705 -15.997 536 2HB SER 68 2HB SER 68 -16.523 -18.044 -15.410 537 HG SER 68 HG SER 68 -17.937 -18.153 -17.081 538 H SER 1 H SER 1 -6.108 12.856 -4.255 539 HA SER 1 HA SER 1 -8.537 11.218 -4.737 540 1HB SER 1 1HB SER 1 -6.283 10.518 -6.042 541 2HB SER 1 2HB SER 1 -5.970 9.725 -4.499 542 HG SER 1 HG SER 1 -7.147 8.250 -5.506 543 HA PRO 2 HA PRO 2 -7.278 11.871 -0.284 544 1HB PRO 2 1HB PRO 2 -10.099 12.076 0.302 545 2HB PRO 2 2HB PRO 2 -8.869 13.339 0.429 546 1HG PRO 2 1HG PRO 2 -10.958 13.101 -1.548 547 2HG PRO 2 2HG PRO 2 -9.726 14.362 -1.423 548 1HD PRO 2 1HD PRO 2 -9.890 12.235 -3.365 549 2HD PRO 2 2HD PRO 2 -8.651 13.498 -3.236 550 H TYR 3 H TYR 3 -10.108 10.123 -1.600 551 HA TYR 3 HA TYR 3 -9.583 7.951 0.377 552 1HB TYR 3 1HB TYR 3 -12.021 8.873 -1.108 553 2HB TYR 3 2HB TYR 3 -11.913 7.185 -0.606 554 HD1 TYR 3 HD2 TYR 3 -10.845 6.968 1.930 555 HD2 TYR 3 HD1 TYR 3 -13.138 10.282 0.380 556 HE1 TYR 3 HE2 TYR 3 -11.474 7.619 4.253 557 HE2 TYR 3 HE1 TYR 3 -13.767 10.933 2.704 558 HH TYR 3 HH TYR 3 -13.831 9.234 5.140 559 H SER 4 H SER 4 -8.821 6.014 -0.355 560 HA SER 4 HA SER 4 -8.641 5.664 -3.317 561 1HB SER 4 1HB SER 4 -6.675 5.474 -1.294 562 2HB SER 4 2HB SER 4 -6.991 3.822 -1.825 563 HG SER 4 HG SER 4 -5.454 5.425 -3.026 564 H SER 5 H SER 5 -9.196 3.614 -4.196 565 HA SER 5 HA SER 5 -10.372 1.607 -2.359 566 1HB SER 5 1HB SER 5 -12.393 1.495 -3.949 567 2HB SER 5 2HB SER 5 -12.334 2.872 -2.846 568 HG SER 5 HG SER 5 -12.759 3.669 -4.862 569 H ASP 6 H ASP 6 -7.988 1.324 -3.741 570 HA ASP 6 HA ASP 6 -8.544 -0.999 -5.365 571 1HB ASP 6 2HB ASP 6 -7.797 -0.153 -7.514 572 2HB ASP 6 1HB ASP 6 -9.100 0.859 -6.951 573 H THR 7 H THR 7 -6.074 -0.746 -6.934 574 HA THR 7 HA THR 7 -4.286 -1.778 -4.957 575 HB THR 7 HB THR 7 -4.032 -2.666 -7.137 576 HG1 THR 7 HG1 THR 7 -2.028 -2.430 -6.341 577 1HG2 THR 7 2HG2 THR 7 -4.024 0.222 -7.998 578 2HG2 THR 7 3HG2 THR 7 -3.370 -1.036 -9.046 579 3HG2 THR 7 1HG2 THR 7 -5.062 -1.089 -8.556 580 H THR 8 H THR 8 -1.895 -0.871 -4.978 581 HA THR 8 HA THR 8 -1.747 2.064 -5.074 582 HB THR 8 HB THR 8 -1.097 0.729 -2.452 583 HG1 THR 8 HG1 THR 8 -3.595 1.834 -3.204 584 1HG2 THR 8 2HG2 THR 8 -0.370 3.091 -3.048 585 2HG2 THR 8 3HG2 THR 8 -2.079 3.525 -3.066 586 3HG2 THR 8 1HG2 THR 8 -1.330 2.950 -1.577 587 HA PRO 9 HA PRO 9 2.184 0.306 -6.429 588 1HB PRO 9 1HB PRO 9 3.116 3.035 -6.737 589 2HB PRO 9 2HB PRO 9 2.728 1.863 -8.002 590 1HG PRO 9 1HG PRO 9 1.183 4.171 -7.204 591 2HG PRO 9 2HG PRO 9 0.791 2.996 -8.458 592 1HD PRO 9 2HD PRO 9 -0.472 3.314 -5.928 593 2HD PRO 9 1HD PRO 9 -0.812 2.102 -7.152 594 H CYS 10 H CYS 10 2.775 -0.416 -4.328 595 HA CYS 10 HA CYS 10 4.347 1.552 -2.713 596 1HB CYS 10 1HB CYS 10 2.112 -0.189 -1.964 597 2HB CYS 10 2HB CYS 10 3.487 -0.357 -0.915 598 H CYS 11 H CYS 11 6.315 0.848 -2.067 599 HA CYS 11 HA CYS 11 7.163 -1.758 -3.092 600 1HB CYS 11 1HB CYS 11 9.101 -0.696 -3.436 601 2HB CYS 11 2HB CYS 11 8.491 0.732 -2.656 602 H PHE 12 H PHE 12 7.993 -3.452 -1.726 603 HA PHE 12 HA PHE 12 6.878 -3.306 1.028 604 1HB PHE 12 2HB PHE 12 6.097 -5.198 -0.296 605 2HB PHE 12 1HB PHE 12 7.756 -5.665 -0.665 606 HD1 PHE 12 HD1 PHE 12 6.419 -4.450 2.612 607 HD2 PHE 12 HD2 PHE 12 7.920 -7.817 0.361 608 HE1 PHE 12 HE1 PHE 12 6.526 -5.801 4.703 609 HE2 PHE 12 HE2 PHE 12 8.022 -9.169 2.454 610 HZ PHE 12 HZ PHE 12 7.327 -8.159 4.625 611 H ALA 13 H ALA 13 9.624 -5.170 -0.276 612 HA ALA 13 HA ALA 13 11.206 -4.249 2.075 613 1HB ALA 13 2HB ALA 13 11.155 -6.725 0.429 614 2HB ALA 13 3HB ALA 13 12.733 -6.204 1.020 615 3HB ALA 13 1HB ALA 13 11.429 -6.533 2.161 616 H TYR 14 H TYR 14 13.336 -3.458 1.794 617 HA TYR 14 HA TYR 14 13.773 -2.449 -0.954 618 1HB TYR 14 1HB TYR 14 15.490 -0.944 0.521 619 2HB TYR 14 2HB TYR 14 13.865 -0.463 0.114 620 HD1 TYR 14 HD2 TYR 14 11.956 -1.026 1.746 621 HD2 TYR 14 HD1 TYR 14 16.141 -1.291 2.776 622 HE1 TYR 14 HE2 TYR 14 11.361 -1.029 4.159 623 HE2 TYR 14 HE1 TYR 14 15.545 -1.279 5.196 624 HH TYR 14 HH TYR 14 12.974 -2.047 6.470 625 H ILE 15 H ILE 15 15.838 -2.616 -1.906 626 HA ILE 15 HA ILE 15 17.375 -4.930 -0.969 627 HB ILE 15 HB ILE 15 16.889 -4.606 -3.374 628 1HG1 ILE 15 2HG1 ILE 15 19.854 -4.205 -3.026 629 2HG1 ILE 15 1HG1 ILE 15 19.075 -5.667 -2.420 630 1HG2 ILE 15 3HG2 ILE 15 17.653 -1.940 -2.782 631 2HG2 ILE 15 1HG2 ILE 15 18.843 -2.563 -3.925 632 3HG2 ILE 15 2HG2 ILE 15 17.128 -2.586 -4.337 633 1HD1 ILE 15 2HD1 ILE 15 18.017 -5.343 -4.983 634 2HD1 ILE 15 3HD1 ILE 15 19.720 -4.922 -5.165 635 3HD1 ILE 15 1HD1 ILE 15 19.265 -6.496 -4.512 636 H ALA 16 H ALA 16 19.587 -4.876 -0.378 637 HA ALA 16 HA ALA 16 20.487 -2.256 0.699 638 1HB ALA 16 1HB ALA 16 21.264 -5.126 1.213 639 2HB ALA 16 2HB ALA 16 22.296 -3.797 1.742 640 3HB ALA 16 3HB ALA 16 20.649 -3.933 2.357 641 H ARG 17 H ARG 17 21.184 -1.314 -1.298 642 HA ARG 17 HA ARG 17 23.883 -1.665 -2.009 643 1HB ARG 17 1HB ARG 17 22.309 -3.753 -3.042 644 2HB ARG 17 2HB ARG 17 22.611 -2.689 -4.394 645 1HG ARG 17 1HG ARG 17 25.082 -2.702 -3.388 646 2HG ARG 17 2HG ARG 17 24.547 -4.257 -2.751 647 1HD ARG 17 1HD ARG 17 24.136 -3.536 -5.652 648 2HD ARG 17 2HD ARG 17 25.656 -4.233 -5.093 649 HE ARG 17 HE ARG 17 23.517 -5.848 -4.122 650 1HH1 ARG 17 2HH1 ARG 17 25.462 -7.590 -5.486 651 2HH1 ARG 17 1HH1 ARG 17 25.605 -6.919 -7.076 652 1HH2 ARG 17 2HH2 ARG 17 22.534 -5.434 -6.989 653 2HH2 ARG 17 1HH2 ARG 17 22.887 -7.086 -7.372 654 HA PRO 18 HA PRO 18 22.102 2.239 -3.475 655 1HB PRO 18 1HB PRO 18 24.771 3.004 -4.249 656 2HB PRO 18 2HB PRO 18 23.802 3.646 -2.951 657 1HG PRO 18 1HG PRO 18 26.065 1.882 -2.735 658 2HG PRO 18 2HG PRO 18 25.087 2.548 -1.425 659 1HD PRO 18 1HD PRO 18 25.141 -0.159 -2.344 660 2HD PRO 18 2HD PRO 18 24.086 0.524 -1.119 661 H LEU 19 H LEU 19 21.036 1.604 -5.333 662 HA LEU 19 HA LEU 19 22.167 0.327 -7.588 663 1HB LEU 19 1HB LEU 19 19.896 2.319 -7.652 664 2HB LEU 19 2HB LEU 19 20.186 1.035 -8.794 665 HG LEU 19 HG LEU 19 19.425 0.728 -5.882 666 1HD1 LEU 19 2HD1 LEU 19 17.908 1.001 -8.273 667 2HD1 LEU 19 3HD1 LEU 19 17.762 -0.676 -7.747 668 3HD1 LEU 19 1HD1 LEU 19 17.318 0.634 -6.652 669 1HD2 LEU 19 1HD2 LEU 19 20.672 -1.127 -7.810 670 2HD2 LEU 19 2HD2 LEU 19 20.602 -1.217 -6.050 671 3HD2 LEU 19 3HD2 LEU 19 19.229 -1.760 -7.017 672 HA PRO 20 HA PRO 20 24.774 3.687 -9.008 673 1HB PRO 20 1HB PRO 20 24.885 2.462 -11.634 674 2HB PRO 20 2HB PRO 20 26.157 2.537 -10.408 675 1HG PRO 20 1HG PRO 20 24.615 0.241 -11.182 676 2HG PRO 20 2HG PRO 20 25.828 0.336 -9.901 677 1HD PRO 20 1HD PRO 20 22.957 0.122 -9.625 678 2HD PRO 20 2HD PRO 20 24.178 0.176 -8.340 679 H ARG 21 H ARG 21 23.939 5.615 -9.703 680 HA ARG 21 HA ARG 21 21.379 6.003 -10.759 681 1HB ARG 21 1HB ARG 21 23.086 7.741 -9.880 682 2HB ARG 21 2HB ARG 21 23.663 7.805 -11.528 683 1HG ARG 21 1HG ARG 21 20.725 8.033 -11.055 684 2HG ARG 21 2HG ARG 21 21.725 9.421 -10.705 685 1HD ARG 21 2HD ARG 21 22.469 8.229 -13.243 686 2HD ARG 21 1HD ARG 21 20.758 8.658 -13.221 687 HE ARG 21 HE ARG 21 22.082 10.885 -12.171 688 1HH1 ARG 21 2HH1 ARG 21 21.157 9.835 -15.421 689 2HH1 ARG 21 1HH1 ARG 21 21.179 11.565 -15.492 690 1HH2 ARG 21 2HH2 ARG 21 24.098 11.635 -13.598 691 2HH2 ARG 21 1HH2 ARG 21 23.973 11.183 -15.266 692 H ALA 22 H ALA 22 24.296 5.065 -12.445 693 HA ALA 22 HA ALA 22 23.369 5.734 -15.098 694 1HB ALA 22 2HB ALA 22 25.774 5.247 -14.440 695 2HB ALA 22 3HB ALA 22 25.328 3.543 -14.362 696 3HB ALA 22 1HB ALA 22 25.219 4.414 -15.892 697 H HIS 23 H HIS 23 23.323 2.734 -13.171 698 HA HIS 23 HA HIS 23 21.970 1.197 -15.207 699 1HB HIS 23 1HB HIS 23 22.046 0.742 -12.214 700 2HB HIS 23 2HB HIS 23 21.578 -0.434 -13.413 701 HD2 HIS 23 HD2 HIS 23 24.667 1.609 -14.494 702 HE1 HIS 23 HE1 HIS 23 26.102 -2.057 -12.953 703 HE2 HIS 23 HE2 HIS 23 26.747 0.060 -14.209 704 H ILE 24 H ILE 24 20.888 3.478 -12.789 705 HA ILE 24 HA ILE 24 18.125 2.504 -12.938 706 HB ILE 24 HB ILE 24 19.080 5.061 -11.660 707 1HG1 ILE 24 2HG1 ILE 24 18.720 2.343 -10.379 708 2HG1 ILE 24 1HG1 ILE 24 20.287 3.065 -10.755 709 1HG2 ILE 24 2HG2 ILE 24 16.555 3.467 -11.692 710 2HG2 ILE 24 3HG2 ILE 24 16.993 4.295 -10.198 711 3HG2 ILE 24 1HG2 ILE 24 16.773 5.217 -11.685 712 1HD1 ILE 24 2HD1 ILE 24 18.769 5.021 -9.351 713 2HD1 ILE 24 3HD1 ILE 24 18.605 3.504 -8.464 714 3HD1 ILE 24 1HD1 ILE 24 20.208 4.167 -8.790 715 H LYS 25 H LYS 25 16.361 4.089 -13.565 716 HA LYS 25 HA LYS 25 17.300 5.880 -15.774 717 1HB LYS 25 1HB LYS 25 14.809 4.152 -15.648 718 2HB LYS 25 2HB LYS 25 15.125 5.347 -16.905 719 1HG LYS 25 1HG LYS 25 17.436 4.009 -17.064 720 2HG LYS 25 2HG LYS 25 16.434 2.707 -16.422 721 1HD LYS 25 1HD LYS 25 15.889 2.370 -18.610 722 2HD LYS 25 2HD LYS 25 14.789 3.724 -18.352 723 1HE LYS 25 1HE LYS 25 17.039 5.101 -18.901 724 2HE LYS 25 2HE LYS 25 17.380 3.635 -19.818 725 1HZ LYS 25 3HZ LYS 25 15.214 3.871 -20.895 726 2HZ LYS 25 1HZ LYS 25 14.944 5.318 -20.047 727 3HZ LYS 25 2HZ LYS 25 16.205 5.220 -21.180 728 H GLU 26 H GLU 26 15.046 5.388 -13.110 729 HA GLU 26 HA GLU 26 14.691 8.255 -12.785 730 1HB GLU 26 1HB GLU 26 12.049 7.766 -12.867 731 2HB GLU 26 2HB GLU 26 12.934 8.259 -14.291 732 1HG GLU 26 1HG GLU 26 12.974 5.363 -13.869 733 2HG GLU 26 2HG GLU 26 11.370 6.006 -14.107 734 H TYR 27 H TYR 27 12.332 8.026 -11.096 735 HA TYR 27 HA TYR 27 12.792 5.821 -9.282 736 1HB TYR 27 2HB TYR 27 13.491 7.154 -7.365 737 2HB TYR 27 1HB TYR 27 14.612 7.426 -8.669 738 HD1 TYR 27 HD2 TYR 27 11.675 8.880 -6.891 739 HD2 TYR 27 HD1 TYR 27 14.873 9.574 -9.708 740 HE1 TYR 27 HE2 TYR 27 11.177 11.324 -6.857 741 HE2 TYR 27 HE1 TYR 27 14.374 12.015 -9.675 742 HH TYR 27 HH TYR 27 11.545 13.301 -8.495 743 H PHE 28 H PHE 28 11.332 6.334 -7.172 744 HA PHE 28 HA PHE 28 9.050 8.007 -7.934 745 1HB PHE 28 2HB PHE 28 8.421 5.992 -9.081 746 2HB PHE 28 1HB PHE 28 8.871 4.993 -7.701 747 HD1 PHE 28 HD1 PHE 28 6.487 7.700 -8.757 748 HD2 PHE 28 HD2 PHE 28 7.282 4.440 -6.040 749 HE1 PHE 28 HE1 PHE 28 4.172 7.890 -7.849 750 HE2 PHE 28 HE2 PHE 28 4.970 4.631 -5.131 751 HZ PHE 28 HZ PHE 28 3.415 6.360 -6.032 752 H TYR 29 H TYR 29 9.766 9.095 -5.935 753 HA TYR 29 HA TYR 29 9.909 7.776 -3.405 754 1HB TYR 29 1HB TYR 29 10.754 10.056 -3.744 755 2HB TYR 29 2HB TYR 29 9.116 10.632 -4.034 756 HD1 TYR 29 HD2 TYR 29 10.641 8.319 -1.488 757 HD2 TYR 29 HD1 TYR 29 8.351 11.902 -2.222 758 HE1 TYR 29 HE2 TYR 29 10.293 8.597 0.964 759 HE2 TYR 29 HE1 TYR 29 8.018 12.193 0.230 760 HH TYR 29 HH TYR 29 9.815 10.703 2.522 761 H THR 30 H THR 30 8.336 7.039 -2.104 762 HA THR 30 HA THR 30 5.516 7.402 -2.977 763 HB THR 30 HB THR 30 5.006 5.504 -1.544 764 HG1 THR 30 HG1 THR 30 6.421 5.982 0.144 765 1HG2 THR 30 1HG2 THR 30 6.820 5.443 -3.727 766 2HG2 THR 30 2HG2 THR 30 7.405 4.271 -2.545 767 3HG2 THR 30 3HG2 THR 30 5.761 4.146 -3.172 768 H SER 31 H SER 31 4.057 8.546 -1.759 769 HA SER 31 HA SER 31 4.950 10.380 0.227 770 1HB SER 31 1HB SER 31 2.411 9.606 -0.987 771 2HB SER 31 2HB SER 31 2.230 10.011 0.719 772 HG SER 31 HG SER 31 3.472 11.936 0.222 773 H GLY 32 H GLY 32 3.568 7.139 0.475 774 1HA GLY 32 2HA GLY 32 4.269 5.740 2.395 775 2HA GLY 32 1HA GLY 32 4.224 7.196 3.392 776 H LYS 33 H LYS 33 2.056 5.258 1.298 777 HA LYS 33 HA LYS 33 -0.175 5.989 3.145 778 1HB LYS 33 1HB LYS 33 -0.309 4.907 0.312 779 2HB LYS 33 2HB LYS 33 -1.681 5.420 1.293 780 1HG LYS 33 2HG LYS 33 -0.045 7.623 1.413 781 2HG LYS 33 1HG LYS 33 0.256 7.047 -0.209 782 1HD LYS 33 1HD LYS 33 -2.334 6.849 -0.372 783 2HD LYS 33 2HD LYS 33 -2.350 7.910 1.016 784 1HE LYS 33 1HE LYS 33 -0.504 9.076 -0.738 785 2HE LYS 33 2HE LYS 33 -1.832 8.546 -1.769 786 1HZ LYS 33 3HZ LYS 33 -3.356 9.645 -0.159 787 2HZ LYS 33 1HZ LYS 33 -1.994 10.305 0.612 788 3HZ LYS 33 2HZ LYS 33 -2.340 10.715 -0.999 789 H CYS 34 H CYS 34 1.602 3.285 1.755 790 HA CYS 34 HA CYS 34 -0.299 1.382 3.024 791 1HB CYS 34 2HB CYS 34 2.146 0.418 1.604 792 2HB CYS 34 1HB CYS 34 0.534 -0.281 1.653 793 H SER 35 H SER 35 1.621 3.105 4.592 794 HA SER 35 HA SER 35 2.985 2.776 6.491 795 1HB SER 35 1HB SER 35 1.444 0.323 6.163 796 2HB SER 35 2HB SER 35 3.034 -0.011 6.848 797 HG SER 35 HG SER 35 0.975 0.869 8.127 798 H ASN 36 H ASN 36 3.926 2.326 3.572 799 HA ASN 36 HA ASN 36 6.512 1.025 4.319 800 1HB ASN 36 2HB ASN 36 4.676 0.450 2.041 801 2HB ASN 36 1HB ASN 36 6.391 0.414 1.709 802 1HD2 ASN 36 2HD2 ASN 36 6.145 -1.658 4.975 803 2HD2 ASN 36 1HD2 ASN 36 7.437 -0.927 4.151 804 HA PRO 37 HA PRO 37 6.892 5.340 2.462 805 1HB PRO 37 1HB PRO 37 8.763 5.915 4.585 806 2HB PRO 37 2HB PRO 37 7.190 6.666 4.294 807 1HG PRO 37 1HG PRO 37 7.890 4.805 6.379 808 2HG PRO 37 2HG PRO 37 6.330 5.546 6.088 809 1HD PRO 37 2HD PRO 37 7.088 2.813 5.625 810 2HD PRO 37 1HD PRO 37 5.524 3.558 5.326 811 H ALA 38 H ALA 38 8.490 5.476 0.893 812 HA ALA 38 HA ALA 38 11.250 4.822 1.406 813 1HB ALA 38 2HB ALA 38 9.962 2.539 1.250 814 2HB ALA 38 3HB ALA 38 9.957 2.870 -0.482 815 3HB ALA 38 1HB ALA 38 11.487 2.729 0.385 816 H VAL 39 H VAL 39 11.931 4.019 -1.213 817 HA VAL 39 HA VAL 39 10.844 6.124 -2.973 818 HB VAL 39 HB VAL 39 13.177 6.516 -1.556 819 1HG1 VAL 39 1HG1 VAL 39 14.199 4.710 -3.082 820 2HG1 VAL 39 2HG1 VAL 39 14.125 5.943 -4.342 821 3HG1 VAL 39 3HG1 VAL 39 15.077 6.226 -2.882 822 1HG2 VAL 39 2HG2 VAL 39 11.814 7.713 -3.842 823 2HG2 VAL 39 3HG2 VAL 39 12.473 8.469 -2.386 824 3HG2 VAL 39 1HG2 VAL 39 13.533 8.104 -3.752 825 H VAL 40 H VAL 40 10.678 5.291 -5.033 826 HA VAL 40 HA VAL 40 11.789 2.542 -5.292 827 HB VAL 40 HB VAL 40 9.200 3.715 -6.277 828 1HG1 VAL 40 3HG1 VAL 40 10.711 1.687 -7.533 829 2HG1 VAL 40 1HG1 VAL 40 9.468 0.857 -6.607 830 3HG1 VAL 40 2HG1 VAL 40 9.014 2.069 -7.800 831 1HG2 VAL 40 2HG2 VAL 40 9.955 1.461 -4.403 832 2HG2 VAL 40 3HG2 VAL 40 9.357 3.047 -3.912 833 3HG2 VAL 40 1HG2 VAL 40 8.303 1.945 -4.799 834 H PHE 41 H PHE 41 13.461 2.529 -6.589 835 HA PHE 41 HA PHE 41 13.713 4.385 -8.778 836 1HB PHE 41 1HB PHE 41 15.354 2.031 -7.856 837 2HB PHE 41 2HB PHE 41 15.760 2.948 -9.306 838 HD1 PHE 41 HD2 PHE 41 15.516 5.680 -8.823 839 HD2 PHE 41 HD1 PHE 41 16.578 2.618 -5.969 840 HE1 PHE 41 HE2 PHE 41 16.735 7.374 -7.456 841 HE2 PHE 41 HE1 PHE 41 17.803 4.308 -4.613 842 HZ PHE 41 HZ PHE 41 17.877 6.688 -5.350 843 H VAL 42 H VAL 42 13.623 4.019 -10.866 844 HA VAL 42 HA VAL 42 12.367 1.465 -11.791 845 HB VAL 42 HB VAL 42 11.914 3.468 -13.722 846 1HG1 VAL 42 3HG2 VAL 42 10.381 1.892 -11.725 847 2HG1 VAL 42 1HG2 VAL 42 9.537 3.239 -12.484 848 3HG1 VAL 42 2HG2 VAL 42 10.201 1.945 -13.483 849 1HG2 VAL 42 2HG1 VAL 42 11.226 4.476 -10.951 850 2HG2 VAL 42 3HG1 VAL 42 12.395 5.198 -12.046 851 3HG2 VAL 42 1HG1 VAL 42 10.689 5.199 -12.467 852 H THR 43 H THR 43 14.562 0.641 -12.114 853 HA THR 43 HA THR 43 16.544 2.193 -13.550 854 HB THR 43 HB THR 43 18.064 0.445 -13.037 855 HG1 THR 43 HG1 THR 43 15.859 -1.228 -12.457 856 1HG2 THR 43 1HG2 THR 43 17.014 1.684 -11.076 857 2HG2 THR 43 2HG2 THR 43 15.991 0.266 -10.841 858 3HG2 THR 43 3HG2 THR 43 17.742 0.125 -10.689 859 H ARG 44 H ARG 44 17.858 -0.041 -14.882 860 HA ARG 44 HA ARG 44 17.117 0.502 -17.507 861 1HB ARG 44 2HB ARG 44 18.426 -1.707 -18.008 862 2HB ARG 44 1HB ARG 44 19.277 -0.348 -17.279 863 1HG ARG 44 1HG ARG 44 19.566 -1.424 -15.291 864 2HG ARG 44 2HG ARG 44 17.980 -2.192 -15.359 865 1HD ARG 44 1HD ARG 44 19.891 -3.813 -15.553 866 2HD ARG 44 2HD ARG 44 18.792 -3.854 -16.931 867 HE ARG 44 HE ARG 44 20.480 -2.650 -18.236 868 1HH1 ARG 44 2HH2 ARG 44 21.477 -2.493 -15.025 869 2HH1 ARG 44 1HH2 ARG 44 23.101 -3.031 -15.305 870 1HH2 ARG 44 2HH1 ARG 44 23.056 -2.809 -18.506 871 2HH2 ARG 44 1HH1 ARG 44 23.327 -4.265 -17.609 872 H LYS 45 H LYS 45 15.510 -1.563 -15.406 873 HA LYS 45 HA LYS 45 14.056 -2.843 -17.680 874 1HB LYS 45 2HB LYS 45 15.056 -4.494 -16.178 875 2HB LYS 45 1HB LYS 45 14.346 -3.689 -14.780 876 1HG LYS 45 1HG LYS 45 12.871 -5.479 -15.211 877 2HG LYS 45 2HG LYS 45 12.074 -4.093 -15.954 878 1HD LYS 45 1HD LYS 45 12.988 -4.720 -18.146 879 2HD LYS 45 2HD LYS 45 13.844 -6.078 -17.415 880 1HE LYS 45 1HE LYS 45 11.052 -6.142 -16.665 881 2HE LYS 45 2HE LYS 45 11.206 -6.070 -18.419 882 1HZ LYS 45 1HZ LYS 45 12.638 -7.986 -16.661 883 2HZ LYS 45 2HZ LYS 45 11.250 -8.350 -17.570 884 3HZ LYS 45 3HZ LYS 45 12.698 -7.941 -18.358 885 H ASN 46 H ASN 46 14.001 -0.753 -14.957 886 HA ASN 46 HA ASN 46 12.515 0.774 -14.192 887 1HB ASN 46 2HB ASN 46 11.547 0.162 -16.867 888 2HB ASN 46 1HB ASN 46 10.219 0.507 -15.790 889 1HD2 ASN 46 2HD2 ASN 46 10.466 3.619 -15.348 890 2HD2 ASN 46 1HD2 ASN 46 10.071 3.046 -16.897 891 H ARG 47 H ARG 47 12.361 -2.268 -13.648 892 HA ARG 47 HA ARG 47 9.635 -2.709 -12.765 893 1HB ARG 47 1HB ARG 47 12.249 -3.660 -11.520 894 2HB ARG 47 2HB ARG 47 10.648 -4.247 -11.077 895 1HG ARG 47 1HG ARG 47 11.134 -4.387 -13.959 896 2HG ARG 47 2HG ARG 47 12.289 -5.340 -13.030 897 1HD ARG 47 1HD ARG 47 9.601 -5.656 -11.975 898 2HD ARG 47 2HD ARG 47 9.659 -6.073 -13.688 899 HE ARG 47 HE ARG 47 11.792 -7.455 -12.811 900 1HH1 ARG 47 1HH1 ARG 47 10.849 -7.328 -9.919 901 2HH1 ARG 47 2HH1 ARG 47 9.348 -8.194 -9.918 902 1HH2 ARG 47 2HH2 ARG 47 8.915 -9.261 -12.555 903 2HH2 ARG 47 1HH2 ARG 47 10.416 -10.042 -12.180 904 H GLN 48 H GLN 48 8.918 -2.123 -10.455 905 HA GLN 48 HA GLN 48 10.179 0.440 -9.878 906 1HB GLN 48 1HB GLN 48 7.607 -0.829 -9.276 907 2HB GLN 48 2HB GLN 48 8.225 0.221 -8.000 908 1HG GLN 48 1HG GLN 48 8.620 1.997 -9.681 909 2HG GLN 48 2HG GLN 48 7.997 0.947 -10.940 910 1HE2 GLN 48 2HE2 GLN 48 5.909 3.280 -8.583 911 2HE2 GLN 48 1HE2 GLN 48 6.389 3.542 -10.190 912 H VAL 49 H VAL 49 12.103 -0.647 -9.379 913 HA VAL 49 HA VAL 49 12.597 -2.341 -7.190 914 HB VAL 49 HB VAL 49 14.696 -0.348 -7.766 915 1HG1 VAL 49 1HG1 VAL 49 14.444 -3.352 -7.705 916 2HG1 VAL 49 2HG1 VAL 49 15.948 -2.534 -8.132 917 3HG1 VAL 49 3HG1 VAL 49 15.245 -2.308 -6.530 918 1HG2 VAL 49 3HG2 VAL 49 13.541 -2.076 -9.986 919 2HG2 VAL 49 1HG2 VAL 49 13.881 -0.349 -10.063 920 3HG2 VAL 49 2HG2 VAL 49 15.208 -1.514 -10.017 921 H CYS 50 H CYS 50 13.424 -1.772 -5.047 922 HA CYS 50 HA CYS 50 12.512 0.931 -4.169 923 1HB CYS 50 1HB CYS 50 11.676 -1.444 -3.178 924 2HB CYS 50 2HB CYS 50 13.068 -1.174 -2.161 925 H ALA 51 H ALA 51 13.882 1.146 -1.783 926 HA ALA 51 HA ALA 51 16.539 0.337 -1.589 927 1HB ALA 51 2HB ALA 51 16.113 2.407 -3.666 928 2HB ALA 51 3HB ALA 51 17.446 2.707 -2.554 929 3HB ALA 51 1HB ALA 51 17.412 1.226 -3.506 930 H ASN 52 H ASN 52 14.276 1.403 0.001 931 HA ASN 52 HA ASN 52 14.064 2.603 1.988 932 1HB ASN 52 1HB ASN 52 16.398 1.658 2.304 933 2HB ASN 52 2HB ASN 52 17.014 3.175 1.645 934 1HD2 ASN 52 2HD2 ASN 52 14.935 3.301 5.203 935 2HD2 ASN 52 1HD2 ASN 52 15.223 1.804 4.457 936 HA PRO 53 HA PRO 53 13.718 6.705 0.362 937 1HB PRO 53 2HB PRO 53 12.469 7.856 2.476 938 2HB PRO 53 1HB PRO 53 11.649 6.743 1.412 939 1HG PRO 53 2HG PRO 53 12.599 6.272 4.192 940 2HG PRO 53 1HG PRO 53 11.291 5.486 3.328 941 1HD PRO 53 2HD PRO 53 13.909 4.451 3.733 942 2HD PRO 53 1HD PRO 53 12.672 3.773 2.684 943 H GLU 54 H GLU 54 15.125 6.061 3.548 944 HA GLU 54 HA GLU 54 16.608 8.656 3.395 945 1HB GLU 54 1HB GLU 54 15.865 6.979 5.811 946 2HB GLU 54 2HB GLU 54 16.832 8.452 5.868 947 1HG GLU 54 1HG GLU 54 14.927 9.683 4.806 948 2HG GLU 54 2HG GLU 54 13.964 8.209 4.910 949 H LYS 55 H LYS 55 17.544 6.210 2.075 950 HA LYS 55 HA LYS 55 19.758 5.270 3.796 951 1HB LYS 55 2HB LYS 55 18.480 4.330 1.323 952 2HB LYS 55 1HB LYS 55 20.234 4.188 1.310 953 1HG LYS 55 1HG LYS 55 18.794 3.326 3.780 954 2HG LYS 55 2HG LYS 55 18.672 2.286 2.362 955 1HD LYS 55 1HD LYS 55 20.782 1.542 2.642 956 2HD LYS 55 2HD LYS 55 21.405 3.189 2.749 957 1HE LYS 55 1HE LYS 55 19.890 2.170 5.103 958 2HE LYS 55 2HE LYS 55 21.489 1.478 4.828 959 1HZ LYS 55 3HZ LYS 55 21.325 4.355 4.553 960 2HZ LYS 55 1HZ LYS 55 21.052 3.772 6.124 961 3HZ LYS 55 2HZ LYS 55 22.501 3.400 5.321 962 H LYS 56 H LYS 56 19.720 8.082 3.015 963 HA LYS 56 HA LYS 56 21.146 9.726 2.192 964 1HB LYS 56 1HB LYS 56 22.946 7.393 2.754 965 2HB LYS 56 2HB LYS 56 23.611 8.839 1.995 966 1HG LYS 56 1HG LYS 56 23.326 10.119 3.875 967 2HG LYS 56 2HG LYS 56 21.846 9.282 4.344 968 1HD LYS 56 1HD LYS 56 24.168 7.517 4.428 969 2HD LYS 56 2HD LYS 56 24.366 8.917 5.483 970 1HE LYS 56 1HE LYS 56 22.689 8.256 6.885 971 2HE LYS 56 2HE LYS 56 21.694 7.643 5.564 972 1HZ LYS 56 3HZ LYS 56 23.455 5.817 5.412 973 2HZ LYS 56 1HZ LYS 56 23.922 6.313 6.969 974 3HZ LYS 56 2HZ LYS 56 22.345 5.745 6.694 975 H TRP 57 H TRP 57 23.013 7.214 0.582 976 HA TRP 57 HA TRP 57 23.295 8.441 -1.867 977 1HB TRP 57 1HB TRP 57 23.771 6.250 -2.799 978 2HB TRP 57 2HB TRP 57 24.429 6.348 -1.160 979 HD1 TRP 57 HD1 TRP 57 23.540 4.561 0.523 980 HE1 TRP 57 HE1 TRP 57 21.825 2.643 0.310 981 HE3 TRP 57 HE3 TRP 57 21.536 5.768 -3.959 982 HZ2 TRP 57 HZ2 TRP 57 19.827 1.743 -1.582 983 HZ3 TRP 57 HZ3 TRP 57 19.842 4.349 -5.028 984 HH2 TRP 57 HH2 TRP 57 18.997 2.322 -3.863 985 H VAL 58 H VAL 58 20.395 6.756 -0.790 986 HA VAL 58 HA VAL 58 19.163 6.462 -3.347 987 HB VAL 58 HB VAL 58 16.973 6.891 -1.928 988 1HG1 VAL 58 2HG1 VAL 58 18.244 4.727 -2.790 989 2HG1 VAL 58 3HG1 VAL 58 18.456 4.477 -1.058 990 3HG1 VAL 58 1HG1 VAL 58 16.836 4.631 -1.742 991 1HG2 VAL 58 2HG2 VAL 58 18.831 7.575 -0.034 992 2HG2 VAL 58 3HG2 VAL 58 17.169 7.087 0.294 993 3HG2 VAL 58 1HG2 VAL 58 18.468 5.902 0.362 994 H ARG 59 H ARG 59 18.794 9.162 -1.012 995 HA ARG 59 HA ARG 59 17.245 10.785 -2.785 996 1HB ARG 59 1HB ARG 59 18.532 11.083 -0.186 997 2HB ARG 59 2HB ARG 59 18.646 12.544 -1.136 998 1HG ARG 59 1HG ARG 59 16.025 11.656 -1.545 999 2HG ARG 59 2HG ARG 59 16.324 11.382 0.171 1000 1HD ARG 59 1HD ARG 59 15.836 13.583 0.425 1001 2HD ARG 59 2HD ARG 59 17.444 13.873 -0.237 1002 HE ARG 59 HE ARG 59 15.537 13.550 -2.369 1003 1HH1 ARG 59 1HH2 ARG 59 17.682 15.984 -1.577 1004 2HH1 ARG 59 2HH2 ARG 59 16.575 16.868 -0.582 1005 1HH2 ARG 59 1HH1 ARG 59 14.480 15.867 -3.130 1006 2HH2 ARG 59 2HH1 ARG 59 14.083 16.467 -1.555 1007 H GLU 60 H GLU 60 20.700 10.322 -2.342 1008 HA GLU 60 HA GLU 60 21.606 12.596 -3.814 1009 1HB GLU 60 1HB GLU 60 22.750 9.971 -3.011 1010 2HB GLU 60 2HB GLU 60 23.522 10.772 -4.380 1011 1HG GLU 60 2HG GLU 60 23.565 12.877 -2.920 1012 2HG GLU 60 1HG GLU 60 23.152 11.838 -1.579 1013 H TYR 61 H TYR 61 20.225 9.551 -4.790 1014 HA TYR 61 HA TYR 61 20.945 10.014 -7.623 1015 1HB TYR 61 1HB TYR 61 19.348 7.775 -6.337 1016 2HB TYR 61 2HB TYR 61 19.864 7.830 -8.019 1017 HD1 TYR 61 HD2 TYR 61 22.587 9.339 -6.690 1018 HD2 TYR 61 HD1 TYR 61 20.613 5.501 -6.475 1019 HE1 TYR 61 HE2 TYR 61 24.748 8.259 -6.086 1020 HE2 TYR 61 HE1 TYR 61 22.779 4.425 -5.878 1021 HH TYR 61 HH TYR 61 25.816 6.229 -5.941 1022 H ILE 62 H ILE 62 18.252 10.357 -5.418 1023 HA ILE 62 HA ILE 62 16.152 10.485 -7.366 1024 HB ILE 62 HB ILE 62 16.512 11.309 -4.521 1025 1HG1 ILE 62 1HG1 ILE 62 14.295 10.103 -4.399 1026 2HG1 ILE 62 2HG1 ILE 62 14.428 9.807 -6.115 1027 1HG2 ILE 62 3HG2 ILE 62 14.333 12.456 -6.295 1028 2HG2 ILE 62 1HG2 ILE 62 14.240 12.409 -4.533 1029 3HG2 ILE 62 2HG2 ILE 62 15.499 13.358 -5.325 1030 1HD1 ILE 62 3HD1 ILE 62 16.742 8.796 -5.582 1031 2HD1 ILE 62 1HD1 ILE 62 16.199 8.784 -3.903 1032 3HD1 ILE 62 2HD1 ILE 62 15.323 7.856 -5.119 1033 H ASN 63 H ASN 63 18.105 13.084 -5.855 1034 HA ASN 63 HA ASN 63 17.006 15.126 -7.603 1035 1HB ASN 63 2HB ASN 63 19.037 14.972 -5.459 1036 2HB ASN 63 1HB ASN 63 19.352 16.194 -6.691 1037 1HD2 ASN 63 1HD2 ASN 63 16.848 16.645 -3.742 1038 2HD2 ASN 63 2HD2 ASN 63 16.425 15.214 -4.552 1039 H SER 64 H SER 64 19.973 13.174 -7.562 1040 HA SER 64 HA SER 64 21.277 14.461 -9.751 1041 1HB SER 64 1HB SER 64 21.418 11.615 -8.735 1042 2HB SER 64 2HB SER 64 22.467 12.239 -9.984 1043 HG SER 64 HG SER 64 23.104 13.874 -8.484 1044 H LEU 65 H LEU 65 18.555 12.315 -9.637 1045 HA LEU 65 HA LEU 65 18.799 11.465 -12.430 1046 1HB LEU 65 1HB LEU 65 16.766 11.092 -10.254 1047 2HB LEU 65 2HB LEU 65 16.329 10.742 -11.908 1048 HG LEU 65 HG LEU 65 18.877 9.630 -10.772 1049 1HD1 LEU 65 1HD1 LEU 65 16.934 9.097 -9.230 1050 2HD1 LEU 65 2HD1 LEU 65 16.183 8.259 -10.588 1051 3HD1 LEU 65 3HD1 LEU 65 17.721 7.689 -9.942 1052 1HD2 LEU 65 3HD2 LEU 65 17.898 9.584 -13.269 1053 2HD2 LEU 65 1HD2 LEU 65 18.807 8.228 -12.601 1054 3HD2 LEU 65 2HD2 LEU 65 17.045 8.181 -12.627 1055 H GLU 66 H GLU 66 17.742 12.385 -14.179 1056 HA GLU 66 HA GLU 66 16.028 14.767 -13.602 1057 1HB GLU 66 1HB GLU 66 17.893 14.508 -15.973 1058 2HB GLU 66 2HB GLU 66 17.027 15.947 -15.437 1059 1HG GLU 66 1HG GLU 66 18.448 15.205 -13.179 1060 2HG GLU 66 2HG GLU 66 19.572 14.843 -14.489 1061 H MET 67 H MET 67 15.281 15.291 -16.250 1062 HA MET 67 HA MET 67 13.671 12.849 -16.848 1063 1HB MET 67 1HB MET 67 12.631 15.200 -16.308 1064 2HB MET 67 2HB MET 67 13.072 15.572 -17.975 1065 1HG MET 67 1HG MET 67 11.880 13.382 -18.602 1066 2HG MET 67 2HG MET 67 11.203 13.418 -16.974 1067 1HE MET 67 1HE MET 67 9.341 13.027 -18.280 1068 2HE MET 67 3HE MET 67 8.179 14.288 -17.868 1069 3HE MET 67 2HE MET 67 8.648 14.036 -19.550 1070 H SER 68 H SER 68 16.464 13.354 -17.753 1071 HA SER 68 HA SER 68 16.276 14.017 -20.594 1072 1HB SER 68 1HB SER 68 18.363 14.558 -19.613 1073 2HB SER 68 2HB SER 68 18.481 12.995 -18.803 1074 HG SER 68 HG SER 68 19.781 12.862 -20.564 No H/Q in entry = 1074 Start of MODEL 11 1 H SER 1 H SER 1 10.262 -15.716 4.491 2 HA SER 1 HA SER 1 10.215 -16.694 1.683 3 1HB SER 1 1HB SER 1 9.339 -14.093 1.601 4 2HB SER 1 2HB SER 1 8.284 -15.493 1.795 5 HG SER 1 HG SER 1 8.237 -15.180 3.954 6 HA PRO 2 HA PRO 2 13.990 -14.722 0.637 7 1HB PRO 2 1HB PRO 2 13.043 -13.632 -1.858 8 2HB PRO 2 2HB PRO 2 14.009 -15.092 -1.612 9 1HG PRO 2 1HG PRO 2 11.223 -14.915 -2.357 10 2HG PRO 2 2HG PRO 2 12.193 -16.375 -2.127 11 1HD PRO 2 1HD PRO 2 10.120 -15.340 -0.410 12 2HD PRO 2 2HD PRO 2 11.098 -16.801 -0.175 13 H TYR 3 H TYR 3 14.750 -12.447 -0.308 14 HA TYR 3 HA TYR 3 13.281 -10.405 1.246 15 1HB TYR 3 1HB TYR 3 15.944 -10.330 -0.205 16 2HB TYR 3 2HB TYR 3 15.269 -8.977 0.703 17 HD1 TYR 3 HD1 TYR 3 14.818 -9.234 3.183 18 HD2 TYR 3 HD2 TYR 3 17.011 -12.171 0.900 19 HE1 TYR 3 HE1 TYR 3 15.720 -10.204 5.295 20 HE2 TYR 3 HE2 TYR 3 17.913 -13.140 3.011 21 HH TYR 3 HH TYR 3 17.586 -11.547 6.058 22 H SER 4 H SER 4 11.923 -8.972 0.273 23 HA SER 4 HA SER 4 11.970 -8.842 -2.709 24 1HB SER 4 1HB SER 4 9.844 -9.598 -1.710 25 2HB SER 4 2HB SER 4 9.761 -8.114 -0.760 26 HG SER 4 HG SER 4 8.631 -7.576 -2.496 27 H SER 5 H SER 5 13.262 -7.130 -3.271 28 HA SER 5 HA SER 5 12.869 -4.560 -1.793 29 1HB SER 5 1HB SER 5 15.085 -3.931 -2.488 30 2HB SER 5 2HB SER 5 15.196 -5.573 -1.857 31 HG SER 5 HG SER 5 14.848 -6.209 -4.138 32 H ASP 6 H ASP 6 10.873 -4.403 -3.210 33 HA ASP 6 HA ASP 6 11.400 -2.667 -5.463 34 1HB ASP 6 2HB ASP 6 10.521 -4.088 -7.236 35 2HB ASP 6 1HB ASP 6 11.868 -4.902 -6.485 36 H THR 7 H THR 7 8.819 -3.346 -6.760 37 HA THR 7 HA THR 7 7.159 -1.839 -4.930 38 HB THR 7 HB THR 7 7.025 -1.515 -7.385 39 HG1 THR 7 HG1 THR 7 5.194 -0.927 -6.382 40 1HG2 THR 7 3HG2 THR 7 7.371 -4.000 -7.862 41 2HG2 THR 7 1HG2 THR 7 5.667 -4.218 -7.465 42 3HG2 THR 7 2HG2 THR 7 6.132 -3.203 -8.829 43 H THR 8 H THR 8 4.772 -2.702 -4.653 44 HA THR 8 HA THR 8 4.642 -5.627 -4.286 45 HB THR 8 HB THR 8 3.876 -4.060 -1.875 46 HG1 THR 8 HG1 THR 8 6.566 -4.771 -2.354 47 1HG2 THR 8 3HG2 THR 8 4.546 -6.784 -2.663 48 2HG2 THR 8 1HG2 THR 8 5.444 -6.283 -1.230 49 3HG2 THR 8 2HG2 THR 8 3.683 -6.216 -1.233 50 HA PRO 9 HA PRO 9 0.628 -4.210 -5.757 51 1HB PRO 9 1HB PRO 9 -0.246 -6.961 -5.711 52 2HB PRO 9 2HB PRO 9 0.160 -5.976 -7.121 53 1HG PRO 9 1HG PRO 9 1.695 -8.140 -5.973 54 2HG PRO 9 2HG PRO 9 2.100 -7.160 -7.384 55 1HD PRO 9 2HD PRO 9 3.307 -7.088 -4.793 56 2HD PRO 9 1HD PRO 9 3.701 -6.105 -6.194 57 H CYS 10 H CYS 10 -0.248 -3.249 -3.894 58 HA CYS 10 HA CYS 10 -1.794 -5.059 -2.132 59 1HB CYS 10 2HB CYS 10 0.103 -2.946 -1.070 60 2HB CYS 10 1HB CYS 10 -0.972 -3.951 -0.100 61 H CYS 11 H CYS 11 -3.455 -3.932 -0.934 62 HA CYS 11 HA CYS 11 -4.320 -1.528 -2.408 63 1HB CYS 11 2HB CYS 11 -6.283 -2.619 -2.400 64 2HB CYS 11 1HB CYS 11 -5.676 -3.825 -1.284 65 H PHE 12 H PHE 12 -5.408 0.211 -0.996 66 HA PHE 12 HA PHE 12 -3.728 0.618 1.439 67 1HB PHE 12 2HB PHE 12 -3.472 2.341 -0.311 68 2HB PHE 12 1HB PHE 12 -5.191 2.652 -0.263 69 HD1 PHE 12 HD2 PHE 12 -2.318 2.340 2.149 70 HD2 PHE 12 HD1 PHE 12 -5.914 4.458 1.042 71 HE1 PHE 12 HE2 PHE 12 -1.991 3.897 4.068 72 HE2 PHE 12 HE1 PHE 12 -5.589 6.013 2.963 73 HZ PHE 12 HZ PHE 12 -3.628 5.733 4.476 74 H ALA 13 H ALA 13 -6.943 1.745 0.320 75 HA ALA 13 HA ALA 13 -7.964 1.094 3.056 76 1HB ALA 13 1HB ALA 13 -8.289 3.441 1.316 77 2HB ALA 13 2HB ALA 13 -9.809 2.823 1.960 78 3HB ALA 13 3HB ALA 13 -8.515 3.297 3.060 79 H TYR 14 H TYR 14 -10.127 0.247 3.187 80 HA TYR 14 HA TYR 14 -10.795 -1.303 0.749 81 1HB TYR 14 1HB TYR 14 -12.201 -1.852 3.322 82 2HB TYR 14 2HB TYR 14 -11.644 -2.976 2.090 83 HD1 TYR 14 HD1 TYR 14 -9.248 -3.678 1.994 84 HD2 TYR 14 HD2 TYR 14 -10.763 -1.155 5.152 85 HE1 TYR 14 HE1 TYR 14 -7.221 -4.168 3.360 86 HE2 TYR 14 HE2 TYR 14 -8.739 -1.649 6.519 87 HH TYR 14 HH TYR 14 -6.585 -2.481 6.388 88 H ILE 15 H ILE 15 -12.843 -1.132 -0.211 89 HA ILE 15 HA ILE 15 -14.350 1.292 0.406 90 HB ILE 15 HB ILE 15 -14.097 0.512 -1.920 91 1HG1 ILE 15 2HG1 ILE 15 -16.996 0.172 -1.143 92 2HG1 ILE 15 1HG1 ILE 15 -16.192 1.738 -1.045 93 1HG2 ILE 15 3HG2 ILE 15 -14.602 -1.999 -0.795 94 2HG2 ILE 15 1HG2 ILE 15 -16.037 -1.656 -1.761 95 3HG2 ILE 15 2HG2 ILE 15 -14.443 -1.639 -2.514 96 1HD1 ILE 15 2HD1 ILE 15 -15.442 1.191 -3.505 97 2HD1 ILE 15 3HD1 ILE 15 -16.808 0.075 -3.471 98 3HD1 ILE 15 1HD1 ILE 15 -17.071 1.799 -3.208 99 H ALA 16 H ALA 16 -15.913 1.378 1.946 100 HA ALA 16 HA ALA 16 -16.903 -1.050 3.219 101 1HB ALA 16 3HB ALA 16 -16.721 1.662 3.922 102 2HB ALA 16 1HB ALA 16 -18.452 1.338 3.811 103 3HB ALA 16 2HB ALA 16 -17.442 0.373 4.887 104 H ARG 17 H ARG 17 -17.911 -2.089 1.369 105 HA ARG 17 HA ARG 17 -20.680 -1.888 1.173 106 1HB ARG 17 1HB ARG 17 -19.382 0.248 -0.270 107 2HB ARG 17 2HB ARG 17 -20.235 -0.788 -1.387 108 1HG ARG 17 1HG ARG 17 -21.747 -0.218 1.066 109 2HG ARG 17 2HG ARG 17 -21.401 1.215 0.098 110 1HD ARG 17 1HD ARG 17 -22.814 0.573 -1.557 111 2HD ARG 17 2HD ARG 17 -22.261 -1.100 -1.497 112 HE ARG 17 HE ARG 17 -24.005 -0.234 0.722 113 1HH1 ARG 17 1HH2 ARG 17 -23.996 -3.313 -0.086 114 2HH1 ARG 17 2HH2 ARG 17 -25.649 -2.965 0.295 115 1HH2 ARG 17 1HH1 ARG 17 -24.985 -1.335 -2.621 116 2HH2 ARG 17 2HH1 ARG 17 -26.288 -0.834 -1.594 117 HA PRO 18 HA PRO 18 -19.032 -5.616 -0.773 118 1HB PRO 18 1HB PRO 18 -21.747 -6.500 -1.169 119 2HB PRO 18 2HB PRO 18 -20.556 -7.128 -0.041 120 1HG PRO 18 1HG PRO 18 -22.853 -5.484 0.555 121 2HG PRO 18 2HG PRO 18 -21.672 -6.151 1.686 122 1HD PRO 18 1HD PRO 18 -21.976 -3.414 0.900 123 2HD PRO 18 2HD PRO 18 -20.712 -4.098 1.939 124 H LEU 19 H LEU 19 -18.294 -4.843 -2.723 125 HA LEU 19 HA LEU 19 -19.623 -3.436 -4.711 126 1HB LEU 19 2HB LEU 19 -17.561 -5.633 -5.047 127 2HB LEU 19 1HB LEU 19 -18.010 -4.490 -6.310 128 HG LEU 19 HG LEU 19 -16.811 -3.799 -3.612 129 1HD1 LEU 19 1HD1 LEU 19 -15.655 -4.532 -6.132 130 2HD1 LEU 19 2HD1 LEU 19 -15.311 -2.829 -5.830 131 3HD1 LEU 19 3HD1 LEU 19 -14.831 -4.047 -4.650 132 1HD2 LEU 19 1HD2 LEU 19 -18.104 -2.187 -5.759 133 2HD2 LEU 19 2HD2 LEU 19 -18.036 -1.893 -4.022 134 3HD2 LEU 19 3HD2 LEU 19 -16.640 -1.525 -5.034 135 HA PRO 20 HA PRO 20 -22.739 -6.121 -6.304 136 1HB PRO 20 1HB PRO 20 -22.412 -5.195 -9.018 137 2HB PRO 20 2HB PRO 20 -23.666 -4.735 -7.859 138 1HG PRO 20 1HG PRO 20 -21.459 -3.133 -8.781 139 2HG PRO 20 2HG PRO 20 -22.686 -2.692 -7.591 140 1HD PRO 20 1HD PRO 20 -19.903 -3.349 -7.133 141 2HD PRO 20 2HD PRO 20 -21.119 -2.839 -5.946 142 H ARG 21 H ARG 21 -22.386 -8.264 -6.731 143 HA ARG 21 HA ARG 21 -19.931 -9.272 -7.788 144 1HB ARG 21 1HB ARG 21 -21.819 -10.448 -6.386 145 2HB ARG 21 2HB ARG 21 -22.492 -10.837 -7.970 146 1HG ARG 21 1HG ARG 21 -20.993 -12.497 -8.207 147 2HG ARG 21 2HG ARG 21 -19.680 -11.360 -8.030 148 1HD ARG 21 2HD ARG 21 -19.382 -12.926 -6.265 149 2HD ARG 21 1HD ARG 21 -20.081 -11.517 -5.507 150 HE ARG 21 HE ARG 21 -21.731 -13.887 -6.274 151 1HH1 ARG 21 1HH2 ARG 21 -23.509 -11.563 -4.666 152 2HH1 ARG 21 2HH2 ARG 21 -23.950 -13.224 -4.444 153 1HH2 ARG 21 2HH1 ARG 21 -20.328 -13.138 -3.507 154 2HH2 ARG 21 1HH1 ARG 21 -21.758 -12.759 -2.607 155 H ALA 22 H ALA 22 -22.739 -8.020 -9.366 156 HA ALA 22 HA ALA 22 -22.131 -9.413 -11.895 157 1HB ALA 22 2HB ALA 22 -24.396 -7.961 -10.776 158 2HB ALA 22 3HB ALA 22 -24.024 -7.422 -12.414 159 3HB ALA 22 1HB ALA 22 -24.362 -9.124 -12.100 160 H HIS 23 H HIS 23 -21.429 -6.399 -10.328 161 HA HIS 23 HA HIS 23 -20.649 -5.130 -12.884 162 1HB HIS 23 1HB HIS 23 -20.355 -4.036 -10.082 163 2HB HIS 23 2HB HIS 23 -20.252 -3.138 -11.574 164 HD2 HIS 23 HD2 HIS 23 -23.180 -5.483 -11.974 165 HE1 HIS 23 HE1 HIS 23 -24.814 -1.926 -10.378 166 HE2 HIS 23 HE2 HIS 23 -25.368 -4.155 -11.472 167 H ILE 24 H ILE 24 -19.215 -7.002 -10.358 168 HA ILE 24 HA ILE 24 -16.531 -5.912 -10.845 169 HB ILE 24 HB ILE 24 -17.371 -8.318 -9.229 170 1HG1 ILE 24 2HG1 ILE 24 -16.542 -5.554 -8.331 171 2HG1 ILE 24 1HG1 ILE 24 -18.201 -6.152 -8.329 172 1HG2 ILE 24 1HG2 ILE 24 -14.730 -6.943 -9.671 173 2HG2 ILE 24 2HG2 ILE 24 -15.037 -7.878 -8.207 174 3HG2 ILE 24 3HG2 ILE 24 -15.103 -8.663 -9.785 175 1HD1 ILE 24 1HD1 ILE 24 -16.555 -8.088 -7.020 176 2HD1 ILE 24 2HD1 ILE 24 -16.183 -6.506 -6.332 177 3HD1 ILE 24 3HD1 ILE 24 -17.843 -7.105 -6.321 178 H LYS 25 H LYS 25 -14.754 -7.398 -11.581 179 HA LYS 25 HA LYS 25 -15.810 -9.350 -13.588 180 1HB LYS 25 1HB LYS 25 -14.451 -7.377 -14.440 181 2HB LYS 25 2HB LYS 25 -13.081 -8.052 -13.604 182 1HG LYS 25 1HG LYS 25 -13.111 -10.037 -14.926 183 2HG LYS 25 2HG LYS 25 -14.706 -9.657 -15.576 184 1HD LYS 25 1HD LYS 25 -13.464 -7.460 -16.408 185 2HD LYS 25 2HD LYS 25 -12.038 -8.491 -16.280 186 1HE LYS 25 1HE LYS 25 -14.414 -9.683 -17.613 187 2HE LYS 25 2HE LYS 25 -13.582 -8.404 -18.496 188 1HZ LYS 25 2HZ LYS 25 -11.965 -10.503 -17.252 189 2HZ LYS 25 3HZ LYS 25 -12.822 -10.893 -18.666 190 3HZ LYS 25 1HZ LYS 25 -11.690 -9.626 -18.681 191 H GLU 26 H GLU 26 -12.648 -8.926 -11.951 192 HA GLU 26 HA GLU 26 -12.829 -11.746 -11.085 193 1HB GLU 26 2HB GLU 26 -11.214 -10.930 -13.010 194 2HB GLU 26 1HB GLU 26 -10.252 -10.347 -11.679 195 1HG GLU 26 1HG GLU 26 -9.589 -12.395 -11.158 196 2HG GLU 26 2HG GLU 26 -11.237 -12.999 -11.154 197 H TYR 27 H TYR 27 -10.153 -11.235 -9.714 198 HA TYR 27 HA TYR 27 -10.628 -9.114 -7.835 199 1HB TYR 27 2HB TYR 27 -11.057 -10.429 -5.870 200 2HB TYR 27 1HB TYR 27 -12.223 -10.921 -7.067 201 HD1 TYR 27 HD2 TYR 27 -11.951 -13.060 -8.332 202 HD2 TYR 27 HD1 TYR 27 -9.319 -11.958 -5.091 203 HE1 TYR 27 HE2 TYR 27 -11.133 -15.411 -8.196 204 HE2 TYR 27 HE1 TYR 27 -8.498 -14.309 -4.959 205 HH TYR 27 HH TYR 27 -8.384 -16.295 -6.236 206 H PHE 28 H PHE 28 -8.824 -9.543 -5.924 207 HA PHE 28 HA PHE 28 -6.597 -11.115 -6.955 208 1HB PHE 28 1HB PHE 28 -6.355 -9.144 -8.355 209 2HB PHE 28 2HB PHE 28 -6.462 -8.088 -6.951 210 HD1 PHE 28 HD2 PHE 28 -4.342 -10.523 -8.766 211 HD2 PHE 28 HD1 PHE 28 -4.590 -7.825 -5.405 212 HE1 PHE 28 HE2 PHE 28 -1.880 -10.712 -8.430 213 HE2 PHE 28 HE1 PHE 28 -2.134 -8.021 -5.063 214 HZ PHE 28 HZ PHE 28 -0.774 -9.466 -6.576 215 H TYR 29 H TYR 29 -6.627 -12.090 -4.861 216 HA TYR 29 HA TYR 29 -6.682 -10.689 -2.400 217 1HB TYR 29 2HB TYR 29 -6.950 -13.111 -2.498 218 2HB TYR 29 1HB TYR 29 -5.318 -13.297 -3.085 219 HD1 TYR 29 HD2 TYR 29 -7.093 -11.571 -0.248 220 HD2 TYR 29 HD1 TYR 29 -3.697 -13.915 -1.520 221 HE1 TYR 29 HE2 TYR 29 -6.247 -11.616 2.095 222 HE2 TYR 29 HE1 TYR 29 -2.851 -13.960 0.823 223 HH TYR 29 HH TYR 29 -4.257 -13.667 3.298 224 H THR 30 H THR 30 -5.205 -9.485 -1.393 225 HA THR 30 HA THR 30 -2.848 -8.532 -2.630 226 HB THR 30 HB THR 30 -3.054 -8.711 0.367 227 HG1 THR 30 HG1 THR 30 -4.432 -6.843 0.177 228 1HG2 THR 30 2HG2 THR 30 -1.802 -6.970 -1.694 229 2HG2 THR 30 3HG2 THR 30 -2.421 -6.159 -0.254 230 3HG2 THR 30 1HG2 THR 30 -1.207 -7.430 -0.099 231 H SER 31 H SER 31 -0.573 -8.847 -1.582 232 HA SER 31 HA SER 31 -0.027 -11.746 -1.614 233 1HB SER 31 1HB SER 31 1.330 -9.805 -2.784 234 2HB SER 31 2HB SER 31 2.097 -9.667 -1.202 235 HG SER 31 HG SER 31 3.197 -11.139 -2.550 236 H GLY 32 H GLY 32 2.339 -11.630 0.040 237 1HA GLY 32 2HA GLY 32 1.044 -11.324 2.721 238 2HA GLY 32 1HA GLY 32 2.225 -12.580 2.352 239 H LYS 33 H LYS 33 2.758 -9.427 1.010 240 HA LYS 33 HA LYS 33 4.767 -8.860 3.152 241 1HB LYS 33 2HB LYS 33 5.250 -8.204 0.249 242 2HB LYS 33 1HB LYS 33 6.413 -8.282 1.550 243 1HG LYS 33 2HG LYS 33 6.009 -10.733 1.721 244 2HG LYS 33 1HG LYS 33 4.921 -10.625 0.358 245 1HD LYS 33 1HD LYS 33 7.762 -9.628 0.181 246 2HD LYS 33 2HD LYS 33 7.360 -11.315 -0.132 247 1HE LYS 33 1HE LYS 33 5.468 -10.054 -1.639 248 2HE LYS 33 2HE LYS 33 6.803 -8.909 -1.761 249 1HZ LYS 33 3HZ LYS 33 8.158 -11.086 -2.178 250 2HZ LYS 33 1HZ LYS 33 6.650 -11.692 -2.669 251 3HZ LYS 33 2HZ LYS 33 7.314 -10.336 -3.447 252 H CYS 34 H CYS 34 2.690 -7.570 3.746 253 HA CYS 34 HA CYS 34 3.150 -4.797 2.981 254 1HB CYS 34 1HB CYS 34 0.960 -6.378 1.753 255 2HB CYS 34 2HB CYS 34 0.506 -4.788 2.369 256 H SER 35 H SER 35 1.340 -3.391 4.059 257 HA SER 35 HA SER 35 0.698 -4.644 6.696 258 1HB SER 35 1HB SER 35 2.155 -2.366 6.194 259 2HB SER 35 2HB SER 35 0.545 -1.710 6.494 260 HG SER 35 HG SER 35 1.116 -1.957 8.501 261 H ASN 36 H ASN 36 -0.865 -4.406 3.994 262 HA ASN 36 HA ASN 36 -3.421 -3.598 5.290 263 1HB ASN 36 1HB ASN 36 -2.193 -1.907 3.540 264 2HB ASN 36 2HB ASN 36 -3.154 -2.865 2.440 265 1HD2 ASN 36 1HD2 ASN 36 -4.461 -0.903 5.656 266 2HD2 ASN 36 2HD2 ASN 36 -3.842 0.086 4.422 267 HA PRO 37 HA PRO 37 -3.282 -7.691 2.931 268 1HB PRO 37 1HB PRO 37 -4.721 -8.774 5.210 269 2HB PRO 37 2HB PRO 37 -3.138 -9.252 4.588 270 1HG PRO 37 2HG PRO 37 -3.689 -7.763 6.978 271 2HG PRO 37 1HG PRO 37 -2.120 -8.181 6.326 272 1HD PRO 37 1HD PRO 37 -3.365 -5.586 6.387 273 2HD PRO 37 2HD PRO 37 -1.778 -6.012 5.719 274 H ALA 38 H ALA 38 -5.070 -8.212 1.668 275 HA ALA 38 HA ALA 38 -7.790 -7.957 2.537 276 1HB ALA 38 3HB ALA 38 -6.639 -5.501 2.082 277 2HB ALA 38 1HB ALA 38 -7.373 -5.853 0.518 278 3HB ALA 38 2HB ALA 38 -8.368 -5.830 1.974 279 H VAL 39 H VAL 39 -8.754 -7.068 -0.112 280 HA VAL 39 HA VAL 39 -7.631 -9.080 -1.942 281 HB VAL 39 HB VAL 39 -9.917 -9.643 -0.442 282 1HG1 VAL 39 1HG1 VAL 39 -11.223 -8.009 -1.784 283 2HG1 VAL 39 2HG1 VAL 39 -10.800 -8.907 -3.242 284 3HG1 VAL 39 3HG1 VAL 39 -11.794 -9.663 -1.997 285 1HG2 VAL 39 2HG2 VAL 39 -8.964 -10.725 -3.093 286 2HG2 VAL 39 3HG2 VAL 39 -8.566 -11.325 -1.483 287 3HG2 VAL 39 1HG2 VAL 39 -10.206 -11.503 -2.109 288 H VAL 40 H VAL 40 -8.160 -8.440 -4.155 289 HA VAL 40 HA VAL 40 -9.214 -5.660 -4.208 290 HB VAL 40 HB VAL 40 -6.773 -6.763 -5.586 291 1HG1 VAL 40 3HG1 VAL 40 -8.530 -4.850 -6.652 292 2HG1 VAL 40 1HG1 VAL 40 -7.252 -3.911 -5.894 293 3HG1 VAL 40 2HG1 VAL 40 -6.855 -5.110 -7.122 294 1HG2 VAL 40 3HG2 VAL 40 -6.607 -6.039 -3.223 295 2HG2 VAL 40 1HG2 VAL 40 -5.688 -4.980 -4.293 296 3HG2 VAL 40 2HG2 VAL 40 -7.262 -4.464 -3.677 297 H PHE 41 H PHE 41 -10.998 -5.561 -5.347 298 HA PHE 41 HA PHE 41 -11.553 -7.576 -7.362 299 1HB PHE 41 2HB PHE 41 -13.121 -5.236 -6.287 300 2HB PHE 41 1HB PHE 41 -13.702 -6.203 -7.620 301 HD1 PHE 41 HD2 PHE 41 -13.349 -8.903 -7.127 302 HD2 PHE 41 HD1 PHE 41 -13.985 -5.797 -4.196 303 HE1 PHE 41 HE2 PHE 41 -14.262 -10.591 -5.536 304 HE2 PHE 41 HE1 PHE 41 -14.907 -7.482 -2.609 305 HZ PHE 41 HZ PHE 41 -15.054 -9.877 -3.282 306 H VAL 42 H VAL 42 -11.558 -7.329 -9.477 307 HA VAL 42 HA VAL 42 -10.526 -4.736 -10.557 308 HB VAL 42 HB VAL 42 -10.337 -6.505 -12.616 309 1HG1 VAL 42 3HG2 VAL 42 -8.504 -5.450 -10.539 310 2HG1 VAL 42 1HG2 VAL 42 -7.876 -6.751 -11.550 311 3HG1 VAL 42 2HG2 VAL 42 -8.441 -5.255 -12.292 312 1HG2 VAL 42 1HG1 VAL 42 -10.992 -8.383 -11.071 313 2HG2 VAL 42 2HG1 VAL 42 -9.432 -8.598 -11.865 314 3HG2 VAL 42 3HG1 VAL 42 -9.500 -8.077 -10.182 315 H THR 43 H THR 43 -12.908 -4.151 -10.242 316 HA THR 43 HA THR 43 -15.017 -5.499 -11.585 317 HB THR 43 HB THR 43 -16.400 -3.680 -10.998 318 HG1 THR 43 HG1 THR 43 -15.345 -1.639 -10.436 319 1HG2 THR 43 3HG2 THR 43 -14.744 -4.821 -9.150 320 2HG2 THR 43 1HG2 THR 43 -14.396 -3.110 -8.901 321 3HG2 THR 43 2HG2 THR 43 -16.049 -3.705 -8.748 322 H ARG 44 H ARG 44 -16.426 -3.534 -12.946 323 HA ARG 44 HA ARG 44 -15.746 -4.007 -15.578 324 1HB ARG 44 2HB ARG 44 -16.978 -1.759 -16.055 325 2HB ARG 44 1HB ARG 44 -17.873 -3.071 -15.293 326 1HG ARG 44 1HG ARG 44 -16.623 -1.604 -13.198 327 2HG ARG 44 2HG ARG 44 -17.359 -0.428 -14.282 328 1HD ARG 44 1HD ARG 44 -19.512 -1.456 -14.080 329 2HD ARG 44 2HD ARG 44 -18.831 -2.877 -13.286 330 HE ARG 44 HE ARG 44 -18.992 -1.692 -11.264 331 1HH1 ARG 44 2HH1 ARG 44 -16.991 0.460 -11.845 332 2HH1 ARG 44 1HH1 ARG 44 -17.906 1.779 -12.495 333 1HH2 ARG 44 1HH2 ARG 44 -20.959 0.251 -11.876 334 2HH2 ARG 44 2HH2 ARG 44 -20.117 1.728 -11.547 335 H LYS 45 H LYS 45 -15.021 -0.870 -13.945 336 HA LYS 45 HA LYS 45 -13.243 0.085 -15.963 337 1HB LYS 45 1HB LYS 45 -13.628 0.633 -13.056 338 2HB LYS 45 2HB LYS 45 -12.107 1.129 -13.757 339 1HG LYS 45 1HG LYS 45 -13.371 2.327 -15.553 340 2HG LYS 45 2HG LYS 45 -14.869 1.910 -14.720 341 1HD LYS 45 1HD LYS 45 -13.878 3.040 -12.657 342 2HD LYS 45 2HD LYS 45 -12.617 3.666 -13.719 343 1HE LYS 45 1HE LYS 45 -14.814 4.322 -15.165 344 2HE LYS 45 2HE LYS 45 -15.486 4.411 -13.537 345 1HZ LYS 45 1HZ LYS 45 -13.432 5.770 -12.991 346 2HZ LYS 45 2HZ LYS 45 -13.206 5.914 -14.668 347 3HZ LYS 45 3HZ LYS 45 -14.619 6.521 -13.946 348 H ASN 46 H ASN 46 -12.945 -2.169 -13.356 349 HA ASN 46 HA ASN 46 -11.469 -3.871 -12.950 350 1HB ASN 46 1HB ASN 46 -11.149 -3.308 -15.724 351 2HB ASN 46 2HB ASN 46 -9.531 -3.499 -15.057 352 1HD2 ASN 46 2HD2 ASN 46 -9.316 -6.489 -14.344 353 2HD2 ASN 46 1HD2 ASN 46 -9.415 -6.147 -16.004 354 H ARG 47 H ARG 47 -10.868 -0.826 -12.433 355 HA ARG 47 HA ARG 47 -8.005 -0.713 -12.116 356 1HB ARG 47 2HB ARG 47 -10.209 0.926 -11.382 357 2HB ARG 47 1HB ARG 47 -9.364 0.528 -9.889 358 1HG ARG 47 1HG ARG 47 -7.207 1.173 -11.121 359 2HG ARG 47 2HG ARG 47 -8.249 1.865 -12.364 360 1HD ARG 47 1HD ARG 47 -9.006 2.661 -9.640 361 2HD ARG 47 2HD ARG 47 -7.386 3.188 -10.097 362 HE ARG 47 HE ARG 47 -9.899 3.962 -11.496 363 1HH1 ARG 47 2HH1 ARG 47 -7.000 4.237 -13.276 364 2HH1 ARG 47 1HH1 ARG 47 -8.219 5.379 -13.735 365 1HH2 ARG 47 1HH2 ARG 47 -7.539 5.740 -10.091 366 2HH2 ARG 47 2HH2 ARG 47 -7.822 6.829 -11.409 367 H GLN 48 H GLN 48 -6.988 -1.086 -9.801 368 HA GLN 48 HA GLN 48 -8.124 -3.644 -8.959 369 1HB GLN 48 2HB GLN 48 -5.474 -2.363 -8.728 370 2HB GLN 48 1HB GLN 48 -5.939 -3.421 -7.390 371 1HG GLN 48 2HG GLN 48 -6.529 -5.188 -9.004 372 2HG GLN 48 1HG GLN 48 -6.112 -4.147 -10.329 373 1HE2 GLN 48 2HE2 GLN 48 -3.604 -5.445 -7.494 374 2HE2 GLN 48 1HE2 GLN 48 -3.479 -3.782 -7.810 375 H VAL 49 H VAL 49 -9.962 -2.645 -8.207 376 HA VAL 49 HA VAL 49 -10.125 -0.766 -6.091 377 HB VAL 49 HB VAL 49 -12.252 -2.819 -6.309 378 1HG1 VAL 49 1HG1 VAL 49 -12.078 0.189 -6.218 379 2HG1 VAL 49 2HG1 VAL 49 -13.605 -0.675 -6.403 380 3HG1 VAL 49 3HG1 VAL 49 -12.638 -0.896 -4.944 381 1HG2 VAL 49 1HG2 VAL 49 -11.253 -1.268 -8.663 382 2HG2 VAL 49 2HG2 VAL 49 -12.122 -2.800 -8.644 383 3HG2 VAL 49 3HG2 VAL 49 -12.997 -1.285 -8.421 384 H CYS 50 H CYS 50 -10.772 -1.232 -3.839 385 HA CYS 50 HA CYS 50 -9.600 -3.807 -2.895 386 1HB CYS 50 2HB CYS 50 -8.657 -1.468 -2.196 387 2HB CYS 50 1HB CYS 50 -10.062 -1.387 -1.161 388 H ALA 51 H ALA 51 -10.664 -4.561 -0.734 389 HA ALA 51 HA ALA 51 -13.330 -3.636 -0.161 390 1HB ALA 51 2HB ALA 51 -12.948 -5.918 -2.041 391 2HB ALA 51 3HB ALA 51 -14.236 -6.052 -0.847 392 3HB ALA 51 1HB ALA 51 -14.232 -4.711 -1.988 393 H ASN 52 H ASN 52 -10.774 -4.557 1.189 394 HA ASN 52 HA ASN 52 -10.317 -5.545 3.269 395 1HB ASN 52 1HB ASN 52 -12.583 -4.499 3.752 396 2HB ASN 52 2HB ASN 52 -13.290 -6.075 3.394 397 1HD2 ASN 52 1HD2 ASN 52 -11.513 -5.172 6.872 398 2HD2 ASN 52 2HD2 ASN 52 -10.497 -4.899 5.540 399 HA PRO 53 HA PRO 53 -10.178 -9.863 2.206 400 1HB PRO 53 1HB PRO 53 -8.908 -10.711 4.539 401 2HB PRO 53 2HB PRO 53 -8.080 -10.032 3.130 402 1HG PRO 53 1HG PRO 53 -8.539 -8.810 5.773 403 2HG PRO 53 2HG PRO 53 -7.418 -8.323 4.518 404 1HD PRO 53 1HD PRO 53 -9.926 -7.101 5.177 405 2HD PRO 53 2HD PRO 53 -8.835 -6.661 3.850 406 H GLU 54 H GLU 54 -10.598 -9.527 5.750 407 HA GLU 54 HA GLU 54 -12.498 -11.763 5.772 408 1HB GLU 54 1HB GLU 54 -10.661 -11.134 7.541 409 2HB GLU 54 2HB GLU 54 -11.904 -10.051 8.167 410 1HG GLU 54 1HG GLU 54 -12.832 -12.791 7.548 411 2HG GLU 54 2HG GLU 54 -11.680 -12.677 8.878 412 H LYS 55 H LYS 55 -13.595 -9.621 4.317 413 HA LYS 55 HA LYS 55 -15.502 -8.306 6.169 414 1HB LYS 55 2HB LYS 55 -14.367 -7.633 3.620 415 2HB LYS 55 1HB LYS 55 -16.121 -7.695 3.465 416 1HG LYS 55 1HG LYS 55 -16.251 -6.265 5.558 417 2HG LYS 55 2HG LYS 55 -14.507 -6.045 5.425 418 1HD LYS 55 1HD LYS 55 -14.680 -4.732 3.533 419 2HD LYS 55 2HD LYS 55 -16.151 -5.534 2.984 420 1HE LYS 55 1HE LYS 55 -17.213 -3.678 3.751 421 2HE LYS 55 2HE LYS 55 -16.965 -4.381 5.350 422 1HZ LYS 55 3HZ LYS 55 -14.973 -2.637 4.018 423 2HZ LYS 55 1HZ LYS 55 -16.163 -2.046 5.076 424 3HZ LYS 55 2HZ LYS 55 -14.992 -3.140 5.640 425 H LYS 56 H LYS 56 -15.408 -11.277 5.258 426 HA LYS 56 HA LYS 56 -16.996 -12.944 4.892 427 1HB LYS 56 1HB LYS 56 -18.587 -10.623 5.832 428 2HB LYS 56 2HB LYS 56 -19.485 -11.893 5.001 429 1HG LYS 56 1HG LYS 56 -19.299 -13.276 6.772 430 2HG LYS 56 2HG LYS 56 -17.557 -13.018 6.862 431 1HD LYS 56 1HD LYS 56 -18.049 -10.799 7.988 432 2HD LYS 56 2HD LYS 56 -19.736 -11.303 8.081 433 1HE LYS 56 1HE LYS 56 -19.326 -12.756 9.778 434 2HE LYS 56 2HE LYS 56 -17.836 -13.338 9.035 435 1HZ LYS 56 2HZ LYS 56 -17.851 -10.622 10.116 436 2HZ LYS 56 3HZ LYS 56 -17.817 -11.909 11.225 437 3HZ LYS 56 1HZ LYS 56 -16.592 -11.759 10.058 438 H TRP 57 H TRP 57 -19.095 -10.459 3.524 439 HA TRP 57 HA TRP 57 -19.753 -11.793 1.188 440 1HB TRP 57 1HB TRP 57 -20.436 -9.652 0.285 441 2HB TRP 57 2HB TRP 57 -20.802 -9.684 2.013 442 HD1 TRP 57 HD1 TRP 57 -19.689 -7.802 3.434 443 HE1 TRP 57 HE1 TRP 57 -18.064 -5.880 2.858 444 HE3 TRP 57 HE3 TRP 57 -18.434 -9.194 -1.258 445 HZ2 TRP 57 HZ2 TRP 57 -16.452 -5.025 0.603 446 HZ3 TRP 57 HZ3 TRP 57 -16.985 -7.801 -2.664 447 HH2 TRP 57 HH2 TRP 57 -15.989 -5.712 -1.749 448 H VAL 58 H VAL 58 -16.725 -10.168 1.814 449 HA VAL 58 HA VAL 58 -15.943 -9.934 -0.967 450 HB VAL 58 HB VAL 58 -13.547 -10.087 0.136 451 1HG1 VAL 58 3HG1 VAL 58 -15.028 -8.101 -0.769 452 2HG1 VAL 58 1HG1 VAL 58 -15.074 -7.668 0.939 453 3HG1 VAL 58 2HG1 VAL 58 -13.528 -7.803 0.098 454 1HG2 VAL 58 3HG2 VAL 58 -14.471 -10.881 2.302 455 2HG2 VAL 58 1HG2 VAL 58 -13.467 -9.439 2.422 456 3HG2 VAL 58 2HG2 VAL 58 -15.219 -9.300 2.494 457 H ARG 59 H ARG 59 -15.278 -12.395 1.524 458 HA ARG 59 HA ARG 59 -13.716 -14.074 -0.212 459 1HB ARG 59 1HB ARG 59 -15.109 -14.425 2.420 460 2HB ARG 59 2HB ARG 59 -14.599 -15.869 1.544 461 1HG ARG 59 2HG ARG 59 -12.334 -15.306 1.676 462 2HG ARG 59 1HG ARG 59 -12.672 -13.590 1.901 463 1HD ARG 59 1HD ARG 59 -13.447 -13.972 4.159 464 2HD ARG 59 2HD ARG 59 -13.367 -15.721 3.942 465 HE ARG 59 HE ARG 59 -10.809 -14.342 3.547 466 1HH1 ARG 59 2HH2 ARG 59 -11.121 -17.310 4.987 467 2HH1 ARG 59 1HH2 ARG 59 -12.197 -16.725 6.212 468 1HH2 ARG 59 1HH1 ARG 59 -9.898 -13.872 5.814 469 2HH2 ARG 59 2HH1 ARG 59 -10.445 -14.929 7.071 470 H GLU 60 H GLU 60 -17.147 -13.751 0.485 471 HA GLU 60 HA GLU 60 -17.989 -16.127 -0.943 472 1HB GLU 60 1HB GLU 60 -19.330 -13.665 0.106 473 2HB GLU 60 2HB GLU 60 -20.184 -14.628 -1.075 474 1HG GLU 60 1HG GLU 60 -19.130 -16.489 0.731 475 2HG GLU 60 2HG GLU 60 -19.714 -15.182 1.731 476 H TYR 61 H TYR 61 -16.797 -13.080 -1.908 477 HA TYR 61 HA TYR 61 -18.059 -13.143 -4.573 478 1HB TYR 61 2HB TYR 61 -16.559 -11.193 -2.927 479 2HB TYR 61 1HB TYR 61 -16.210 -11.123 -4.632 480 HD1 TYR 61 HD1 TYR 61 -19.250 -11.662 -2.478 481 HD2 TYR 61 HD2 TYR 61 -17.502 -9.574 -5.827 482 HE1 TYR 61 HE1 TYR 61 -21.358 -10.377 -2.774 483 HE2 TYR 61 HE2 TYR 61 -19.623 -8.301 -6.137 484 HH TYR 61 HH TYR 61 -22.535 -9.110 -4.370 485 H ILE 62 H ILE 62 -15.032 -13.766 -2.930 486 HA ILE 62 HA ILE 62 -13.324 -13.948 -5.211 487 HB ILE 62 HB ILE 62 -13.222 -15.354 -2.524 488 1HG1 ILE 62 2HG1 ILE 62 -11.674 -12.958 -3.545 489 2HG1 ILE 62 1HG1 ILE 62 -13.137 -12.829 -2.571 490 1HG2 ILE 62 1HG2 ILE 62 -11.514 -15.514 -4.919 491 2HG2 ILE 62 2HG2 ILE 62 -10.644 -15.174 -3.422 492 3HG2 ILE 62 3HG2 ILE 62 -11.645 -16.621 -3.552 493 1HD1 ILE 62 2HD1 ILE 62 -11.544 -14.678 -1.199 494 2HD1 ILE 62 3HD1 ILE 62 -10.417 -13.429 -1.730 495 3HD1 ILE 62 1HD1 ILE 62 -11.817 -12.995 -0.749 496 H ASN 63 H ASN 63 -15.311 -16.396 -3.541 497 HA ASN 63 HA ASN 63 -14.509 -18.520 -5.366 498 1HB ASN 63 1HB ASN 63 -16.820 -18.339 -3.408 499 2HB ASN 63 2HB ASN 63 -16.330 -19.804 -4.257 500 1HD2 ASN 63 1HD2 ASN 63 -12.992 -18.847 -3.087 501 2HD2 ASN 63 2HD2 ASN 63 -13.562 -20.406 -3.447 502 H SER 64 H SER 64 -17.329 -16.376 -5.048 503 HA SER 64 HA SER 64 -18.974 -17.528 -7.032 504 1HB SER 64 2HB SER 64 -18.609 -14.700 -6.055 505 2HB SER 64 1HB SER 64 -19.731 -15.060 -7.368 506 HG SER 64 HG SER 64 -21.067 -15.753 -5.934 507 H LEU 65 H LEU 65 -16.112 -15.510 -7.345 508 HA LEU 65 HA LEU 65 -16.514 -15.069 -10.213 509 1HB LEU 65 1HB LEU 65 -14.100 -14.607 -8.441 510 2HB LEU 65 2HB LEU 65 -14.230 -14.090 -10.105 511 HG LEU 65 HG LEU 65 -16.333 -13.295 -8.108 512 1HD1 LEU 65 1HD1 LEU 65 -14.034 -12.691 -7.237 513 2HD1 LEU 65 2HD1 LEU 65 -13.814 -11.716 -8.691 514 3HD1 LEU 65 3HD1 LEU 65 -15.088 -11.309 -7.540 515 1HD2 LEU 65 1HD2 LEU 65 -15.867 -12.873 -10.870 516 2HD2 LEU 65 2HD2 LEU 65 -17.117 -12.132 -9.870 517 3HD2 LEU 65 3HD2 LEU 65 -15.559 -11.331 -10.073 518 H GLU 66 H GLU 66 -14.178 -16.945 -8.246 519 HA GLU 66 HA GLU 66 -14.001 -18.872 -10.515 520 1HB GLU 66 1HB GLU 66 -12.017 -17.093 -10.155 521 2HB GLU 66 2HB GLU 66 -11.505 -18.310 -8.987 522 1HG GLU 66 1HG GLU 66 -11.284 -19.975 -10.634 523 2HG GLU 66 2HG GLU 66 -12.314 -19.113 -11.776 524 H MET 67 H MET 67 -15.155 -20.467 -9.397 525 HA MET 67 HA MET 67 -14.164 -21.229 -6.695 526 1HB MET 67 1HB MET 67 -16.647 -20.862 -7.148 527 2HB MET 67 2HB MET 67 -16.592 -22.322 -8.136 528 1HG MET 67 1HG MET 67 -16.217 -23.707 -6.312 529 2HG MET 67 2HG MET 67 -15.459 -22.427 -5.365 530 1HE MET 67 3HE MET 67 -17.744 -24.708 -5.441 531 2HE MET 67 2HE MET 67 -17.885 -24.209 -3.755 532 3HE MET 67 1HE MET 67 -19.302 -24.181 -4.804 533 H SER 68 H SER 68 -12.194 -22.193 -7.648 534 HA SER 68 HA SER 68 -12.592 -24.587 -9.333 535 1HB SER 68 1HB SER 68 -10.491 -22.723 -8.960 536 2HB SER 68 2HB SER 68 -9.889 -24.275 -8.379 537 HG SER 68 HG SER 68 -9.786 -23.687 -10.759 538 H SER 1 H SER 1 -6.933 13.721 3.009 539 HA SER 1 HA SER 1 -7.062 14.207 0.079 540 1HB SER 1 1HB SER 1 -6.186 11.627 0.355 541 2HB SER 1 2HB SER 1 -5.123 13.033 0.280 542 HG SER 1 HG SER 1 -4.919 13.026 2.436 543 HA PRO 2 HA PRO 2 -10.895 12.128 -0.407 544 1HB PRO 2 1HB PRO 2 -10.113 10.694 -2.780 545 2HB PRO 2 2HB PRO 2 -11.065 12.180 -2.677 546 1HG PRO 2 1HG PRO 2 -8.336 11.884 -3.577 547 2HG PRO 2 2HG PRO 2 -9.294 13.367 -3.492 548 1HD PRO 2 1HD PRO 2 -7.107 12.571 -1.787 549 2HD PRO 2 2HD PRO 2 -8.069 14.058 -1.700 550 H TYR 3 H TYR 3 -11.700 9.746 -0.977 551 HA TYR 3 HA TYR 3 -10.121 7.935 0.747 552 1HB TYR 3 1HB TYR 3 -12.875 7.669 -0.497 553 2HB TYR 3 2HB TYR 3 -12.133 6.455 0.545 554 HD1 TYR 3 HD1 TYR 3 -11.519 7.054 2.928 555 HD2 TYR 3 HD2 TYR 3 -13.875 9.652 0.408 556 HE1 TYR 3 HE1 TYR 3 -12.282 8.315 4.940 557 HE2 TYR 3 HE2 TYR 3 -14.639 10.911 2.420 558 HH TYR 3 HH TYR 3 -14.098 9.759 5.630 559 H SER 4 H SER 4 -8.825 6.374 -0.105 560 HA SER 4 HA SER 4 -9.072 5.828 -3.030 561 1HB SER 4 1HB SER 4 -6.887 6.706 -2.293 562 2HB SER 4 2HB SER 4 -6.734 5.371 -1.152 563 HG SER 4 HG SER 4 -5.720 4.589 -2.867 564 H SER 5 H SER 5 -10.390 4.060 -3.258 565 HA SER 5 HA SER 5 -9.885 1.721 -1.465 566 1HB SER 5 1HB SER 5 -12.140 1.009 -1.913 567 2HB SER 5 2HB SER 5 -12.216 2.726 -1.513 568 HG SER 5 HG SER 5 -12.026 3.032 -3.879 569 H ASP 6 H ASP 6 -7.988 1.357 -2.977 570 HA ASP 6 HA ASP 6 -8.657 -0.674 -4.924 571 1HB ASP 6 1HB ASP 6 -7.906 0.481 -6.932 572 2HB ASP 6 2HB ASP 6 -9.204 1.398 -6.215 573 H THR 7 H THR 7 -6.173 -0.193 -6.474 574 HA THR 7 HA THR 7 -4.385 -1.438 -4.566 575 HB THR 7 HB THR 7 -4.416 -2.103 -6.957 576 HG1 THR 7 HG1 THR 7 -2.518 -2.555 -6.006 577 1HG2 THR 7 3HG2 THR 7 -4.805 0.291 -7.752 578 2HG2 THR 7 1HG2 THR 7 -3.079 0.556 -7.505 579 3HG2 THR 7 2HG2 THR 7 -3.629 -0.639 -8.679 580 H THR 8 H THR 8 -1.990 -0.555 -4.577 581 HA THR 8 HA THR 8 -1.851 2.392 -4.632 582 HB THR 8 HB THR 8 -0.916 1.175 -2.082 583 HG1 THR 8 HG1 THR 8 -3.637 1.823 -2.474 584 1HG2 THR 8 3HG2 THR 8 -1.652 3.764 -3.196 585 2HG2 THR 8 1HG2 THR 8 -2.449 3.472 -1.649 586 3HG2 THR 8 2HG2 THR 8 -0.690 3.398 -1.763 587 HA PRO 9 HA PRO 9 2.063 0.764 -6.155 588 1HB PRO 9 1HB PRO 9 2.924 3.490 -6.555 589 2HB PRO 9 2HB PRO 9 2.428 2.319 -7.782 590 1HG PRO 9 1HG PRO 9 0.964 4.630 -6.848 591 2HG PRO 9 2HG PRO 9 0.470 3.463 -8.077 592 1HD PRO 9 1HD PRO 9 -0.560 3.760 -5.426 593 2HD PRO 9 2HD PRO 9 -1.041 2.593 -6.647 594 H CYS 10 H CYS 10 3.066 0.070 -4.239 595 HA CYS 10 HA CYS 10 4.718 2.103 -2.856 596 1HB CYS 10 2HB CYS 10 2.909 0.166 -1.383 597 2HB CYS 10 1HB CYS 10 4.041 1.293 -0.638 598 H CYS 11 H CYS 11 6.462 1.147 -1.627 599 HA CYS 11 HA CYS 11 7.238 -1.444 -2.807 600 1HB CYS 11 2HB CYS 11 9.192 -0.373 -3.082 601 2HB CYS 11 1HB CYS 11 8.657 0.982 -2.110 602 H PHE 12 H PHE 12 8.429 -2.973 -1.241 603 HA PHE 12 HA PHE 12 6.917 -3.026 1.335 604 1HB PHE 12 1HB PHE 12 6.553 -4.977 -0.133 605 2HB PHE 12 2HB PHE 12 8.273 -5.286 -0.159 606 HD1 PHE 12 HD2 PHE 12 5.568 -4.627 2.374 607 HD2 PHE 12 HD1 PHE 12 9.092 -6.894 1.335 608 HE1 PHE 12 HE2 PHE 12 5.380 -5.897 4.511 609 HE2 PHE 12 HE1 PHE 12 8.905 -8.163 3.473 610 HZ PHE 12 HZ PHE 12 7.049 -7.664 5.060 611 H ALA 13 H ALA 13 10.056 -4.314 0.172 612 HA ALA 13 HA ALA 13 11.255 -3.291 2.713 613 1HB ALA 13 1HB ALA 13 11.474 -5.859 1.302 614 2HB ALA 13 2HB ALA 13 13.031 -5.164 1.749 615 3HB ALA 13 3HB ALA 13 11.816 -5.473 2.989 616 H TYR 14 H TYR 14 13.418 -2.442 2.579 617 HA TYR 14 HA TYR 14 13.912 -1.253 -0.091 618 1HB TYR 14 1HB TYR 14 15.486 -0.355 2.278 619 2HB TYR 14 2HB TYR 14 14.840 0.588 0.942 620 HD1 TYR 14 HD1 TYR 14 12.439 1.280 0.910 621 HD2 TYR 14 HD2 TYR 14 14.177 -0.781 4.280 622 HE1 TYR 14 HE1 TYR 14 10.508 1.966 2.328 623 HE2 TYR 14 HE2 TYR 14 12.247 -0.093 5.698 624 HH TYR 14 HH TYR 14 10.086 0.722 5.598 625 H ILE 15 H ILE 15 15.892 -1.566 -1.154 626 HA ILE 15 HA ILE 15 17.449 -3.885 -0.306 627 HB ILE 15 HB ILE 15 17.036 -3.438 -2.696 628 1HG1 ILE 15 2HG1 ILE 15 19.979 -3.005 -2.173 629 2HG1 ILE 15 1HG1 ILE 15 19.191 -4.538 -1.800 630 1HG2 ILE 15 3HG2 ILE 15 17.603 -0.796 -1.971 631 2HG2 ILE 15 1HG2 ILE 15 18.971 -1.278 -2.974 632 3HG2 ILE 15 2HG2 ILE 15 17.330 -1.393 -3.607 633 1HD1 ILE 15 2HD1 ILE 15 18.275 -4.338 -4.258 634 2HD1 ILE 15 3HD1 ILE 15 19.634 -3.235 -4.471 635 3HD1 ILE 15 1HD1 ILE 15 19.923 -4.906 -3.988 636 H ALA 16 H ALA 16 19.112 -3.761 1.121 637 HA ALA 16 HA ALA 16 20.173 -1.184 1.974 638 1HB ALA 16 3HB ALA 16 20.054 -3.769 3.059 639 2HB ALA 16 1HB ALA 16 21.771 -3.472 2.788 640 3HB ALA 16 2HB ALA 16 20.831 -2.361 3.784 641 H ARG 17 H ARG 17 21.050 -0.418 -0.067 642 HA ARG 17 HA ARG 17 23.800 -0.657 -0.420 643 1HB ARG 17 2HB ARG 17 22.419 -2.969 -1.458 644 2HB ARG 17 1HB ARG 17 23.190 -2.103 -2.765 645 1HG ARG 17 1HG ARG 17 24.866 -2.330 -0.363 646 2HG ARG 17 2HG ARG 17 24.463 -3.883 -1.095 647 1HD ARG 17 1HD ARG 17 25.758 -3.487 -2.916 648 2HD ARG 17 2HD ARG 17 25.201 -1.819 -3.054 649 HE ARG 17 HE ARG 17 27.096 -2.374 -0.859 650 1HH1 ARG 17 1HH2 ARG 17 27.016 0.562 -2.088 651 2HH1 ARG 17 2HH2 ARG 17 28.694 0.264 -1.773 652 1HH2 ARG 17 1HH1 ARG 17 27.843 -1.756 -4.381 653 2HH2 ARG 17 2HH1 ARG 17 29.214 -2.113 -3.385 654 HA PRO 18 HA PRO 18 22.005 2.768 -2.755 655 1HB PRO 18 1HB PRO 18 24.683 3.576 -3.454 656 2HB PRO 18 2HB PRO 18 23.566 4.363 -2.348 657 1HG PRO 18 1HG PRO 18 25.906 2.811 -1.679 658 2HG PRO 18 2HG PRO 18 24.798 3.635 -0.578 659 1HD PRO 18 1HD PRO 18 25.067 0.813 -0.992 660 2HD PRO 18 2HD PRO 18 23.872 1.639 0.025 661 H LEU 19 H LEU 19 21.143 1.731 -4.521 662 HA LEU 19 HA LEU 19 22.341 0.054 -6.378 663 1HB LEU 19 2HB LEU 19 20.250 2.192 -6.870 664 2HB LEU 19 1HB LEU 19 20.617 0.885 -7.994 665 HG LEU 19 HG LEU 19 19.609 0.574 -5.151 666 1HD1 LEU 19 1HD1 LEU 19 18.281 0.957 -7.665 667 2HD1 LEU 19 2HD1 LEU 19 17.966 -0.686 -7.106 668 3HD1 LEU 19 3HD1 LEU 19 17.563 0.688 -6.077 669 1HD2 LEU 19 1HD2 LEU 19 20.763 -1.321 -7.141 670 2HD2 LEU 19 2HD2 LEU 19 20.815 -1.374 -5.379 671 3HD2 LEU 19 3HD2 LEU 19 19.355 -1.873 -6.234 672 HA PRO 20 HA PRO 20 25.330 2.477 -8.537 673 1HB PRO 20 1HB PRO 20 24.829 1.181 -11.067 674 2HB PRO 20 2HB PRO 20 26.158 0.882 -9.941 675 1HG PRO 20 1HG PRO 20 23.902 -0.822 -10.481 676 2HG PRO 20 2HG PRO 20 25.207 -1.100 -9.324 677 1HD PRO 20 1HD PRO 20 22.459 -0.371 -8.779 678 2HD PRO 20 2HD PRO 20 23.752 -0.715 -7.616 679 H ARG 21 H ARG 21 24.931 4.543 -9.226 680 HA ARG 21 HA ARG 21 22.413 5.405 -10.257 681 1HB ARG 21 1HB ARG 21 24.385 6.756 -9.163 682 2HB ARG 21 2HB ARG 21 24.949 6.914 -10.826 683 1HG ARG 21 2HG ARG 21 23.431 8.532 -11.196 684 2HG ARG 21 1HG ARG 21 22.138 7.437 -10.774 685 1HD ARG 21 1HD ARG 21 21.949 9.236 -9.230 686 2HD ARG 21 2HD ARG 21 22.706 7.944 -8.330 687 HE ARG 21 HE ARG 21 24.287 10.177 -9.529 688 1HH1 ARG 21 1HH2 ARG 21 26.179 8.092 -7.735 689 2HH1 ARG 21 2HH2 ARG 21 26.629 9.764 -7.778 690 1HH2 ARG 21 2HH1 ARG 21 23.077 9.829 -6.598 691 2HH2 ARG 21 1HH1 ARG 21 24.565 9.570 -5.750 692 H ALA 22 H ALA 22 25.111 3.924 -11.828 693 HA ALA 22 HA ALA 22 24.330 4.954 -14.481 694 1HB ALA 22 2HB ALA 22 26.672 3.664 -13.324 695 2HB ALA 22 3HB ALA 22 26.195 2.903 -14.841 696 3HB ALA 22 1HB ALA 22 26.543 4.631 -14.793 697 H HIS 23 H HIS 23 23.761 2.186 -12.468 698 HA HIS 23 HA HIS 23 22.818 0.576 -14.764 699 1HB HIS 23 2HB HIS 23 22.710 -0.112 -11.823 700 2HB HIS 23 1HB HIS 23 22.516 -1.210 -13.165 701 HD2 HIS 23 HD2 HIS 23 25.397 1.043 -14.081 702 HE1 HIS 23 HE1 HIS 23 27.152 -2.259 -12.111 703 HE2 HIS 23 HE2 HIS 23 27.620 -0.210 -13.544 704 H ILE 24 H ILE 24 21.544 2.788 -12.438 705 HA ILE 24 HA ILE 24 18.839 1.655 -12.594 706 HB ILE 24 HB ILE 24 19.764 4.259 -11.389 707 1HG1 ILE 24 2HG1 ILE 24 19.097 1.611 -10.082 708 2HG1 ILE 24 1HG1 ILE 24 20.720 2.275 -10.263 709 1HG2 ILE 24 1HG2 ILE 24 17.124 2.814 -11.435 710 2HG2 ILE 24 2HG2 ILE 24 17.518 3.946 -10.143 711 3HG2 ILE 24 3HG2 ILE 24 17.457 4.503 -11.814 712 1HD1 ILE 24 1HD1 ILE 24 19.103 4.314 -9.107 713 2HD1 ILE 24 2HD1 ILE 24 18.783 2.828 -8.212 714 3HD1 ILE 24 3HD1 ILE 24 20.433 3.435 -8.353 715 H LYS 25 H LYS 25 17.012 3.034 -13.401 716 HA LYS 25 HA LYS 25 17.933 4.703 -15.706 717 1HB LYS 25 2HB LYS 25 16.640 2.641 -16.287 718 2HB LYS 25 1HB LYS 25 15.280 3.280 -15.408 719 1HG LYS 25 1HG LYS 25 15.091 5.162 -16.898 720 2HG LYS 25 2HG LYS 25 16.631 4.769 -17.664 721 1HD LYS 25 1HD LYS 25 15.371 2.437 -18.080 722 2HD LYS 25 2HD LYS 25 13.958 3.490 -18.008 723 1HE LYS 25 1HE LYS 25 16.241 4.469 -19.640 724 2HE LYS 25 2HE LYS 25 15.364 3.079 -20.282 725 1HZ LYS 25 2HZ LYS 25 13.815 5.338 -19.249 726 2HZ LYS 25 3HZ LYS 25 14.578 5.518 -20.756 727 3HZ LYS 25 1HZ LYS 25 13.454 4.267 -20.516 728 H GLU 26 H GLU 26 14.861 4.486 -13.830 729 HA GLU 26 HA GLU 26 15.073 7.405 -13.381 730 1HB GLU 26 1HB GLU 26 13.293 6.279 -15.012 731 2HB GLU 26 2HB GLU 26 12.453 5.991 -13.519 732 1HG GLU 26 1HG GLU 26 11.874 8.108 -13.333 733 2HG GLU 26 2HG GLU 26 13.526 8.649 -13.563 734 H TYR 27 H TYR 27 12.529 7.152 -11.765 735 HA TYR 27 HA TYR 27 13.130 5.290 -9.667 736 1HB TYR 27 1HB TYR 27 13.615 6.877 -7.906 737 2HB TYR 27 2HB TYR 27 14.747 7.171 -9.202 738 HD1 TYR 27 HD2 TYR 27 14.386 9.104 -10.787 739 HD2 TYR 27 HD1 TYR 27 11.972 8.512 -7.256 740 HE1 TYR 27 HE2 TYR 27 13.580 11.459 -10.942 741 HE2 TYR 27 HE1 TYR 27 11.165 10.864 -7.413 742 HH TYR 27 HH TYR 27 10.969 12.646 -8.938 743 H PHE 28 H PHE 28 11.451 5.989 -7.707 744 HA PHE 28 HA PHE 28 9.146 7.398 -8.796 745 1HB PHE 28 1HB PHE 28 8.823 5.249 -9.885 746 2HB PHE 28 2HB PHE 28 9.029 4.402 -8.355 747 HD1 PHE 28 HD2 PHE 28 6.782 6.569 -10.349 748 HD2 PHE 28 HD1 PHE 28 7.267 4.372 -6.664 749 HE1 PHE 28 HE2 PHE 28 4.349 6.831 -9.873 750 HE2 PHE 28 HE1 PHE 28 4.840 4.643 -6.181 751 HZ PHE 28 HZ PHE 28 3.376 5.865 -7.789 752 H TYR 29 H TYR 29 9.317 8.658 -6.867 753 HA TYR 29 HA TYR 29 9.547 7.616 -4.243 754 1HB TYR 29 1HB TYR 29 9.797 9.998 -4.696 755 2HB TYR 29 2HB TYR 29 8.129 10.109 -5.191 756 HD1 TYR 29 HD2 TYR 29 10.098 8.789 -2.265 757 HD2 TYR 29 HD1 TYR 29 6.614 10.947 -3.623 758 HE1 TYR 29 HE2 TYR 29 9.412 9.168 0.099 759 HE2 TYR 29 HE1 TYR 29 5.927 11.324 -1.258 760 HH TYR 29 HH TYR 29 7.498 11.376 1.134 761 H THR 30 H THR 30 8.147 6.573 -2.976 762 HA THR 30 HA THR 30 5.716 5.468 -3.905 763 HB THR 30 HB THR 30 6.122 6.064 -0.984 764 HG1 THR 30 HG1 THR 30 7.494 4.182 -1.003 765 1HG2 THR 30 2HG2 THR 30 4.746 4.055 -2.691 766 2HG2 THR 30 3HG2 THR 30 5.465 3.453 -1.198 767 3HG2 THR 30 1HG2 THR 30 4.257 4.737 -1.141 768 H SER 31 H SER 31 3.515 5.937 -2.761 769 HA SER 31 HA SER 31 2.953 8.804 -3.166 770 1HB SER 31 1HB SER 31 1.531 6.723 -3.953 771 2HB SER 31 2HB SER 31 0.875 6.813 -2.318 772 HG SER 31 HG SER 31 -0.322 8.084 -3.787 773 H GLY 32 H GLY 32 0.699 8.922 -1.346 774 1HA GLY 32 2HA GLY 32 2.183 8.994 1.252 775 2HA GLY 32 1HA GLY 32 0.976 10.196 0.794 776 H LYS 33 H LYS 33 0.372 6.885 -0.051 777 HA LYS 33 HA LYS 33 -1.490 6.636 2.275 778 1HB LYS 33 1HB LYS 33 -2.169 5.565 -0.457 779 2HB LYS 33 2HB LYS 33 -3.241 5.869 0.886 780 1HG LYS 33 1HG LYS 33 -2.784 8.315 0.640 781 2HG LYS 33 2HG LYS 33 -1.826 7.960 -0.776 782 1HD LYS 33 1HD LYS 33 -4.671 6.995 -0.560 783 2HD LYS 33 2HD LYS 33 -4.303 8.619 -1.142 784 1HE LYS 33 1HE LYS 33 -2.532 7.133 -2.598 785 2HE LYS 33 2HE LYS 33 -3.879 6.004 -2.455 786 1HZ LYS 33 3HZ LYS 33 -5.255 8.112 -3.076 787 2HZ LYS 33 1HZ LYS 33 -3.786 8.635 -3.746 788 3HZ LYS 33 2HZ LYS 33 -4.498 7.192 -4.286 789 H CYS 34 H CYS 34 0.627 5.426 2.911 790 HA CYS 34 HA CYS 34 0.129 2.578 2.567 791 1HB CYS 34 1HB CYS 34 2.222 3.964 0.983 792 2HB CYS 34 2HB CYS 34 2.727 2.475 1.783 793 H SER 35 H SER 35 2.018 1.329 3.705 794 HA SER 35 HA SER 35 2.829 2.937 6.090 795 1HB SER 35 1HB SER 35 1.354 0.616 6.013 796 2HB SER 35 2HB SER 35 2.984 0.003 6.294 797 HG SER 35 HG SER 35 2.547 0.533 8.280 798 H ASN 36 H ASN 36 4.207 2.317 3.350 799 HA ASN 36 HA ASN 36 6.851 1.688 4.570 800 1HB ASN 36 2HB ASN 36 5.515 -0.226 3.160 801 2HB ASN 36 1HB ASN 36 6.394 0.565 1.875 802 1HD2 ASN 36 1HD2 ASN 36 7.925 -0.933 5.238 803 2HD2 ASN 36 2HD2 ASN 36 7.230 -2.082 4.200 804 HA PRO 37 HA PRO 37 6.531 5.412 1.675 805 1HB PRO 37 1HB PRO 37 8.115 6.797 3.678 806 2HB PRO 37 2HB PRO 37 6.490 7.189 3.103 807 1HG PRO 37 1HG PRO 37 7.209 6.047 5.635 808 2HG PRO 37 2HG PRO 37 5.596 6.376 5.039 809 1HD PRO 37 1HD PRO 37 6.857 3.811 5.379 810 2HD PRO 37 2HD PRO 37 5.226 4.145 4.767 811 H ALA 38 H ALA 38 8.228 5.742 0.234 812 HA ALA 38 HA ALA 38 11.001 5.600 0.945 813 1HB ALA 38 3HB ALA 38 9.833 3.109 0.917 814 2HB ALA 38 1HB ALA 38 10.459 3.236 -0.726 815 3HB ALA 38 2HB ALA 38 11.550 3.412 0.648 816 H VAL 39 H VAL 39 11.788 4.345 -1.613 817 HA VAL 39 HA VAL 39 10.534 6.085 -3.626 818 HB VAL 39 HB VAL 39 12.913 6.843 -2.377 819 1HG1 VAL 39 1HG1 VAL 39 14.134 5.031 -3.562 820 2HG1 VAL 39 2HG1 VAL 39 13.610 5.717 -5.099 821 3HG1 VAL 39 3HG1 VAL 39 14.682 6.637 -4.042 822 1HG2 VAL 39 2HG2 VAL 39 11.779 7.546 -5.084 823 2HG2 VAL 39 3HG2 VAL 39 11.487 8.369 -3.550 824 3HG2 VAL 39 1HG2 VAL 39 13.080 8.449 -4.305 825 H VAL 40 H VAL 40 10.914 5.138 -5.758 826 HA VAL 40 HA VAL 40 11.978 2.375 -5.491 827 HB VAL 40 HB VAL 40 9.444 3.283 -6.846 828 1HG1 VAL 40 3HG1 VAL 40 11.139 1.234 -7.746 829 2HG1 VAL 40 1HG1 VAL 40 9.917 0.415 -6.783 830 3HG1 VAL 40 2HG1 VAL 40 9.436 1.432 -8.137 831 1HG2 VAL 40 3HG2 VAL 40 9.440 2.898 -4.399 832 2HG2 VAL 40 1HG2 VAL 40 8.458 1.704 -5.247 833 3HG2 VAL 40 2HG2 VAL 40 10.071 1.272 -4.671 834 H PHE 41 H PHE 41 13.679 2.107 -6.723 835 HA PHE 41 HA PHE 41 14.088 3.821 -9.033 836 1HB PHE 41 1HB PHE 41 15.739 1.648 -7.748 837 2HB PHE 41 2HB PHE 41 16.223 2.415 -9.239 838 HD1 PHE 41 HD2 PHE 41 15.892 5.159 -9.108 839 HD2 PHE 41 HD1 PHE 41 16.737 2.493 -5.818 840 HE1 PHE 41 HE2 PHE 41 16.901 7.050 -7.834 841 HE2 PHE 41 HE1 PHE 41 17.755 4.381 -4.548 842 HZ PHE 41 HZ PHE 41 17.846 6.656 -5.561 843 H VAL 42 H VAL 42 13.949 3.276 -11.086 844 HA VAL 42 HA VAL 42 12.859 0.562 -11.715 845 HB VAL 42 HB VAL 42 12.530 2.021 -13.989 846 1HG1 VAL 42 3HG2 VAL 42 10.839 1.281 -11.669 847 2HG1 VAL 42 1HG2 VAL 42 10.143 2.432 -12.808 848 3HG1 VAL 42 2HG2 VAL 42 10.664 0.843 -13.368 849 1HG2 VAL 42 1HG1 VAL 42 13.278 4.096 -12.764 850 2HG2 VAL 42 2HG1 VAL 42 11.674 4.207 -13.487 851 3HG2 VAL 42 3HG1 VAL 42 11.842 3.928 -11.754 852 H THR 43 H THR 43 15.265 0.026 -11.467 853 HA THR 43 HA THR 43 17.270 1.154 -13.125 854 HB THR 43 HB THR 43 18.697 -0.576 -12.395 855 HG1 THR 43 HG1 THR 43 17.697 -2.516 -11.491 856 1HG2 THR 43 3HG2 THR 43 17.174 0.821 -10.612 857 2HG2 THR 43 1HG2 THR 43 16.842 -0.835 -10.107 858 3HG2 THR 43 2HG2 THR 43 18.502 -0.243 -10.150 859 H ARG 44 H ARG 44 18.591 -0.979 -14.301 860 HA ARG 44 HA ARG 44 17.718 -0.851 -16.915 861 1HB ARG 44 2HB ARG 44 18.943 -3.146 -17.181 862 2HB ARG 44 1HB ARG 44 19.875 -1.747 -16.656 863 1HG ARG 44 1HG ARG 44 18.787 -2.924 -14.308 864 2HG ARG 44 2HG ARG 44 19.445 -4.237 -15.279 865 1HD ARG 44 1HD ARG 44 21.605 -3.218 -15.357 866 2HD ARG 44 2HD ARG 44 20.983 -1.692 -14.728 867 HE ARG 44 HE ARG 44 21.274 -2.584 -12.573 868 1HH1 ARG 44 2HH1 ARG 44 19.253 -4.787 -12.707 869 2HH1 ARG 44 1HH1 ARG 44 20.129 -6.189 -13.225 870 1HH2 ARG 44 1HH2 ARG 44 23.209 -4.600 -13.035 871 2HH2 ARG 44 2HH2 ARG 44 22.398 -6.012 -12.445 872 H LYS 45 H LYS 45 17.141 -3.748 -14.830 873 HA LYS 45 HA LYS 45 15.242 -4.973 -16.571 874 1HB LYS 45 2HB LYS 45 15.826 -5.113 -13.650 875 2HB LYS 45 1HB LYS 45 14.261 -5.693 -14.166 876 1HG LYS 45 1HG LYS 45 15.403 -7.138 -15.862 877 2HG LYS 45 2HG LYS 45 16.953 -6.619 -15.199 878 1HD LYS 45 1HD LYS 45 16.107 -7.442 -12.934 879 2HD LYS 45 2HD LYS 45 14.781 -8.206 -13.812 880 1HE LYS 45 1HE LYS 45 16.879 -9.068 -15.297 881 2HE LYS 45 2HE LYS 45 17.659 -8.930 -13.721 882 1HZ LYS 45 1HZ LYS 45 15.654 -10.190 -12.851 883 2HZ LYS 45 2HZ LYS 45 15.317 -10.568 -14.473 884 3HZ LYS 45 3HZ LYS 45 16.778 -11.073 -13.770 885 H ASN 46 H ASN 46 15.100 -2.376 -14.291 886 HA ASN 46 HA ASN 46 13.643 -0.631 -14.028 887 1HB ASN 46 1HB ASN 46 13.140 -1.578 -16.669 888 2HB ASN 46 2HB ASN 46 11.570 -1.287 -15.927 889 1HD2 ASN 46 2HD2 ASN 46 11.391 1.773 -15.629 890 2HD2 ASN 46 1HD2 ASN 46 11.379 1.203 -17.228 891 H ARG 47 H ARG 47 13.098 -3.572 -13.051 892 HA ARG 47 HA ARG 47 10.263 -3.629 -12.528 893 1HB ARG 47 2HB ARG 47 12.522 -5.158 -11.724 894 2HB ARG 47 1HB ARG 47 11.778 -4.552 -10.246 895 1HG ARG 47 1HG ARG 47 9.547 -5.352 -11.227 896 2HG ARG 47 2HG ARG 47 10.504 -6.217 -12.429 897 1HD ARG 47 1HD ARG 47 11.448 -6.627 -9.679 898 2HD ARG 47 2HD ARG 47 9.804 -7.206 -9.946 899 HE ARG 47 HE ARG 47 12.221 -8.179 -11.389 900 1HH1 ARG 47 2HH1 ARG 47 9.209 -8.687 -12.914 901 2HH1 ARG 47 1HH1 ARG 47 10.400 -9.887 -13.289 902 1HH2 ARG 47 1HH2 ARG 47 9.969 -9.732 -9.593 903 2HH2 ARG 47 2HH2 ARG 47 10.168 -10.995 -10.761 904 H GLN 48 H GLN 48 9.405 -2.933 -10.224 905 HA GLN 48 HA GLN 48 10.581 -0.287 -9.827 906 1HB GLN 48 2HB GLN 48 7.961 -1.512 -9.237 907 2HB GLN 48 1HB GLN 48 8.508 -0.275 -8.101 908 1HG GLN 48 1HG GLN 48 8.978 1.240 -9.989 909 2HG GLN 48 2HG GLN 48 8.481 0.017 -11.120 910 1HE2 GLN 48 2HE2 GLN 48 6.163 1.723 -8.339 911 2HE2 GLN 48 1HE2 GLN 48 6.022 0.033 -8.404 912 H VAL 49 H VAL 49 12.471 -1.176 -9.070 913 HA VAL 49 HA VAL 49 12.786 -2.740 -6.726 914 HB VAL 49 HB VAL 49 14.883 -0.747 -7.373 915 1HG1 VAL 49 1HG1 VAL 49 14.732 -3.712 -6.852 916 2HG1 VAL 49 2HG1 VAL 49 16.239 -2.889 -7.258 917 3HG1 VAL 49 3HG1 VAL 49 15.371 -2.462 -5.782 918 1HG2 VAL 49 1HG2 VAL 49 13.736 -2.610 -9.413 919 2HG2 VAL 49 2HG2 VAL 49 14.594 -1.093 -9.669 920 3HG2 VAL 49 3HG2 VAL 49 15.492 -2.564 -9.296 921 H CYS 50 H CYS 50 13.579 -1.966 -4.611 922 HA CYS 50 HA CYS 50 12.462 0.722 -3.961 923 1HB CYS 50 1HB CYS 50 11.578 -1.492 -2.880 924 2HB CYS 50 2HB CYS 50 13.049 -1.432 -1.940 925 H ALA 51 H ALA 51 13.665 1.767 -2.004 926 HA ALA 51 HA ALA 51 16.369 0.918 -1.488 927 1HB ALA 51 2HB ALA 51 15.848 2.916 -3.638 928 2HB ALA 51 3HB ALA 51 17.211 3.212 -2.564 929 3HB ALA 51 1HB ALA 51 17.141 1.724 -3.502 930 H ASN 52 H ASN 52 13.903 2.033 -0.113 931 HA ASN 52 HA ASN 52 13.583 3.303 1.837 932 1HB ASN 52 1HB ASN 52 15.882 2.323 2.307 933 2HB ASN 52 2HB ASN 52 16.555 3.830 1.687 934 1HD2 ASN 52 1HD2 ASN 52 15.019 3.433 5.368 935 2HD2 ASN 52 2HD2 ASN 52 13.918 2.980 4.158 936 HA PRO 53 HA PRO 53 13.354 7.431 0.192 937 1HB PRO 53 1HB PRO 53 12.238 8.602 2.464 938 2HB PRO 53 2HB PRO 53 11.322 7.736 1.221 939 1HG PRO 53 2HG PRO 53 11.962 6.894 3.972 940 2HG PRO 53 1HG PRO 53 10.762 6.242 2.875 941 1HD PRO 53 1HD PRO 53 13.313 5.112 3.530 942 2HD PRO 53 2HD PRO 53 12.138 4.496 2.354 943 H GLU 54 H GLU 54 14.011 7.593 3.713 944 HA GLU 54 HA GLU 54 15.897 9.801 3.294 945 1HB GLU 54 1HB GLU 54 14.185 9.434 5.253 946 2HB GLU 54 2HB GLU 54 15.474 8.444 5.940 947 1HG GLU 54 1HG GLU 54 16.342 11.066 4.880 948 2HG GLU 54 2HG GLU 54 15.283 11.145 6.287 949 H LYS 55 H LYS 55 16.902 7.467 2.088 950 HA LYS 55 HA LYS 55 18.939 6.419 3.969 951 1HB LYS 55 2HB LYS 55 17.637 5.401 1.622 952 2HB LYS 55 1HB LYS 55 19.376 5.434 1.340 953 1HG LYS 55 1HG LYS 55 19.656 4.308 3.599 954 2HG LYS 55 2HG LYS 55 17.907 4.079 3.616 955 1HD LYS 55 1HD LYS 55 17.958 2.515 1.917 956 2HD LYS 55 2HD LYS 55 19.386 3.227 1.165 957 1HE LYS 55 1HE LYS 55 20.505 1.490 2.110 958 2HE LYS 55 2HE LYS 55 20.364 2.411 3.608 959 1HZ LYS 55 3HZ LYS 55 18.294 0.508 2.670 960 2HZ LYS 55 1HZ LYS 55 19.556 0.064 3.718 961 3HZ LYS 55 2HZ LYS 55 18.421 1.232 4.201 962 H LYS 56 H LYS 56 18.767 9.234 2.658 963 HA LYS 56 HA LYS 56 20.317 10.826 1.956 964 1HB LYS 56 1HB LYS 56 21.980 8.653 3.101 965 2HB LYS 56 2HB LYS 56 22.813 9.789 2.040 966 1HG LYS 56 1HG LYS 56 22.742 11.409 3.609 967 2HG LYS 56 2HG LYS 56 21.011 11.174 3.851 968 1HD LYS 56 1HD LYS 56 21.589 9.132 5.241 969 2HD LYS 56 2HD LYS 56 23.276 9.638 5.149 970 1HE LYS 56 1HE LYS 56 22.972 11.315 6.650 971 2HE LYS 56 2HE LYS 56 21.433 11.794 5.934 972 1HZ LYS 56 2HZ LYS 56 21.535 9.257 7.382 973 2HZ LYS 56 3HZ LYS 56 21.568 10.686 8.298 974 3HZ LYS 56 1HZ LYS 56 20.269 10.380 7.249 975 H TRP 57 H TRP 57 22.333 8.165 0.809 976 HA TRP 57 HA TRP 57 22.821 9.158 -1.731 977 1HB TRP 57 1HB TRP 57 23.454 6.912 -2.372 978 2HB TRP 57 2HB TRP 57 23.939 7.182 -0.696 979 HD1 TRP 57 HD1 TRP 57 22.935 5.523 1.049 980 HE1 TRP 57 HE1 TRP 57 21.284 3.546 0.862 981 HE3 TRP 57 HE3 TRP 57 21.354 6.248 -3.694 982 HZ2 TRP 57 HZ2 TRP 57 19.527 2.390 -1.135 983 HZ3 TRP 57 HZ3 TRP 57 19.823 4.675 -4.790 984 HH2 TRP 57 HH2 TRP 57 18.902 2.740 -3.524 985 H VAL 58 H VAL 58 19.855 7.650 -0.674 986 HA VAL 58 HA VAL 58 18.883 7.027 -3.332 987 HB VAL 58 HB VAL 58 16.569 7.347 -2.099 988 1HG1 VAL 58 3HG1 VAL 58 17.997 5.248 -2.819 989 2HG1 VAL 58 1HG1 VAL 58 18.157 5.056 -1.074 990 3HG1 VAL 58 2HG1 VAL 58 16.559 5.080 -1.823 991 1HG2 VAL 58 3HG2 VAL 58 17.627 8.432 -0.125 992 2HG2 VAL 58 1HG2 VAL 58 16.651 7.017 0.259 993 3HG2 VAL 58 2HG2 VAL 58 18.406 6.893 0.230 994 H ARG 59 H ARG 59 18.374 9.818 -1.176 995 HA ARG 59 HA ARG 59 16.696 11.244 -3.027 996 1HB ARG 59 1HB ARG 59 18.260 11.957 -0.571 997 2HB ARG 59 2HB ARG 59 17.684 13.264 -1.605 998 1HG ARG 59 2HG ARG 59 15.437 12.736 -1.242 999 2HG ARG 59 1HG ARG 59 15.797 11.067 -0.801 1000 1HD ARG 59 1HD ARG 59 16.722 11.758 1.324 1001 2HD ARG 59 2HD ARG 59 16.618 13.459 0.869 1002 HE ARG 59 HE ARG 59 14.047 12.051 0.845 1003 1HH1 ARG 59 2HH2 ARG 59 14.442 15.189 1.830 1004 2HH1 ARG 59 1HH2 ARG 59 15.600 14.777 3.050 1005 1HH2 ARG 59 1HH1 ARG 59 13.294 11.905 3.212 1006 2HH2 ARG 59 2HH1 ARG 59 13.919 13.127 4.268 1007 H GLU 60 H GLU 60 20.165 10.993 -2.526 1008 HA GLU 60 HA GLU 60 20.904 13.145 -4.317 1009 1HB GLU 60 2HB GLU 60 22.315 10.852 -3.018 1010 2HB GLU 60 1HB GLU 60 23.089 11.620 -4.382 1011 1HG GLU 60 2HG GLU 60 22.151 13.736 -2.804 1012 2HG GLU 60 1HG GLU 60 22.810 12.587 -1.666 1013 H TYR 61 H TYR 61 19.662 9.998 -4.785 1014 HA TYR 61 HA TYR 61 20.747 9.713 -7.517 1015 1HB TYR 61 1HB TYR 61 19.318 7.989 -5.565 1016 2HB TYR 61 2HB TYR 61 18.926 7.713 -7.243 1017 HD1 TYR 61 HD1 TYR 61 22.058 8.520 -5.306 1018 HD2 TYR 61 HD2 TYR 61 20.137 5.985 -8.225 1019 HE1 TYR 61 HE1 TYR 61 24.155 7.199 -5.538 1020 HE2 TYR 61 HE2 TYR 61 22.241 4.673 -8.469 1021 HH TYR 61 HH TYR 61 25.246 5.721 -7.032 1022 H ILE 62 H ILE 62 17.823 10.528 -5.767 1023 HA ILE 62 HA ILE 62 15.965 10.425 -7.926 1024 HB ILE 62 HB ILE 62 16.047 12.191 -5.459 1025 1HG1 ILE 62 2HG1 ILE 62 14.446 9.682 -6.026 1026 2HG1 ILE 62 1HG1 ILE 62 15.972 9.686 -5.143 1027 1HG2 ILE 62 1HG2 ILE 62 14.174 12.023 -7.727 1028 2HG2 ILE 62 2HG2 ILE 62 13.413 11.899 -6.142 1029 3HG2 ILE 62 3HG2 ILE 62 14.394 13.308 -6.541 1030 1HD1 ILE 62 2HD1 ILE 62 14.461 11.714 -3.942 1031 2HD1 ILE 62 3HD1 ILE 62 13.309 10.407 -4.217 1032 3HD1 ILE 62 1HD1 ILE 62 14.772 10.110 -3.279 1033 H ASN 63 H ASN 63 18.052 13.071 -6.750 1034 HA ASN 63 HA ASN 63 17.119 14.922 -8.795 1035 1HB ASN 63 1HB ASN 63 19.557 15.007 -6.991 1036 2HB ASN 63 2HB ASN 63 19.004 16.341 -8.002 1037 1HD2 ASN 63 1HD2 ASN 63 15.757 15.571 -6.487 1038 2HD2 ASN 63 2HD2 ASN 63 16.292 17.061 -7.100 1039 H SER 64 H SER 64 19.963 12.831 -8.371 1040 HA SER 64 HA SER 64 21.467 13.686 -10.604 1041 1HB SER 64 2HB SER 64 21.181 11.025 -9.217 1042 2HB SER 64 1HB SER 64 22.210 11.191 -10.640 1043 HG SER 64 HG SER 64 23.637 12.073 -9.410 1044 H LEU 65 H LEU 65 18.600 11.657 -10.436 1045 HA LEU 65 HA LEU 65 18.809 10.816 -13.235 1046 1HB LEU 65 2HB LEU 65 16.523 10.617 -11.256 1047 2HB LEU 65 1HB LEU 65 16.542 9.871 -12.836 1048 HG LEU 65 HG LEU 65 18.780 9.356 -10.894 1049 1HD1 LEU 65 1HD1 LEU 65 16.548 8.889 -9.795 1050 2HD1 LEU 65 2HD1 LEU 65 16.235 7.721 -11.078 1051 3HD1 LEU 65 3HD1 LEU 65 17.586 7.474 -9.971 1052 1HD2 LEU 65 1HD2 LEU 65 18.131 8.553 -13.532 1053 2HD2 LEU 65 2HD2 LEU 65 19.449 7.954 -12.524 1054 3HD2 LEU 65 3HD2 LEU 65 17.885 7.138 -12.507 1055 H GLU 66 H GLU 66 16.602 12.960 -11.398 1056 HA GLU 66 HA GLU 66 16.263 14.550 -13.897 1057 1HB GLU 66 1HB GLU 66 14.316 12.848 -13.157 1058 2HB GLU 66 2HB GLU 66 13.879 14.220 -12.139 1059 1HG GLU 66 1HG GLU 66 13.538 15.638 -13.985 1060 2HG GLU 66 2HG GLU 66 14.493 14.619 -15.061 1061 H MET 67 H MET 67 17.480 16.281 -13.095 1062 HA MET 67 HA MET 67 16.670 17.420 -10.465 1063 1HB MET 67 1HB MET 67 19.119 16.982 -11.027 1064 2HB MET 67 2HB MET 67 18.990 18.287 -12.205 1065 1HG MET 67 1HG MET 67 18.732 19.917 -10.572 1066 2HG MET 67 2HG MET 67 18.045 18.786 -9.405 1067 1HE MET 67 3HE MET 67 20.309 21.023 -9.955 1068 2HE MET 67 2HE MET 67 20.565 20.765 -8.229 1069 3HE MET 67 1HE MET 67 21.909 20.583 -9.357 1070 H SER 68 H SER 68 14.636 18.250 -11.408 1071 HA SER 68 HA SER 68 14.907 20.382 -13.436 1072 1HB SER 68 1HB SER 68 12.846 18.598 -12.664 1073 2HB SER 68 2HB SER 68 12.276 20.219 -12.268 1074 HG SER 68 HG SER 68 12.017 19.302 -14.528 No H/Q in entry = 1074 Start of MODEL 12 1 H SER 1 H SER 1 15.249 -9.718 4.953 2 HA SER 1 HA SER 1 17.681 -10.733 3.560 3 1HB SER 1 1HB SER 1 15.414 -12.296 4.710 4 2HB SER 1 2HB SER 1 16.038 -12.811 3.144 5 HG SER 1 HG SER 1 17.766 -13.514 4.081 6 HA PRO 2 HA PRO 2 14.513 -8.592 0.849 7 1HB PRO 2 1HB PRO 2 16.742 -7.388 -0.533 8 2HB PRO 2 2HB PRO 2 15.510 -6.586 0.448 9 1HG PRO 2 1HG PRO 2 18.279 -7.049 1.120 10 2HG PRO 2 2HG PRO 2 17.049 -6.244 2.100 11 1HD PRO 2 1HD PRO 2 18.206 -8.856 2.504 12 2HD PRO 2 2HD PRO 2 16.967 -8.050 3.486 13 H TYR 3 H TYR 3 13.931 -9.534 -1.091 14 HA TYR 3 HA TYR 3 15.987 -11.246 -2.434 15 1HB TYR 3 1HB TYR 3 13.221 -11.773 -1.589 16 2HB TYR 3 2HB TYR 3 13.540 -12.219 -3.264 17 HD1 TYR 3 HD2 TYR 3 15.287 -13.887 -3.828 18 HD2 TYR 3 HD1 TYR 3 14.324 -12.905 0.265 19 HE1 TYR 3 HE2 TYR 3 16.498 -15.924 -3.053 20 HE2 TYR 3 HE1 TYR 3 15.534 -14.942 1.039 21 HH TYR 3 HH TYR 3 16.317 -17.033 0.250 22 H SER 4 H SER 4 12.872 -9.613 -3.148 23 HA SER 4 HA SER 4 13.862 -9.115 -5.905 24 1HB SER 4 1HB SER 4 11.145 -8.229 -5.080 25 2HB SER 4 2HB SER 4 11.667 -9.028 -6.563 26 HG SER 4 HG SER 4 10.419 -10.173 -4.680 27 H SER 5 H SER 5 12.494 -7.348 -3.120 28 HA SER 5 HA SER 5 12.781 -5.110 -2.474 29 1HB SER 5 1HB SER 5 14.946 -4.831 -4.547 30 2HB SER 5 2HB SER 5 14.837 -4.085 -2.953 31 HG SER 5 HG SER 5 15.642 -5.817 -2.067 32 H ASP 6 H ASP 6 10.649 -5.151 -3.850 33 HA ASP 6 HA ASP 6 10.828 -2.868 -5.721 34 1HB ASP 6 2HB ASP 6 9.579 -4.036 -7.488 35 2HB ASP 6 1HB ASP 6 11.081 -4.895 -7.153 36 H THR 7 H THR 7 8.158 -3.055 -6.646 37 HA THR 7 HA THR 7 6.817 -2.287 -4.156 38 HB THR 7 HB THR 7 6.639 -0.858 -6.182 39 HG1 THR 7 HG1 THR 7 4.459 -0.531 -5.961 40 1HG2 THR 7 1HG2 THR 7 6.650 -2.753 -7.820 41 2HG2 THR 7 2HG2 THR 7 5.015 -3.162 -7.303 42 3HG2 THR 7 3HG2 THR 7 5.329 -1.618 -8.094 43 H THR 8 H THR 8 4.383 -2.947 -4.046 44 HA THR 8 HA THR 8 3.934 -5.725 -4.991 45 HB THR 8 HB THR 8 3.426 -4.983 -2.105 46 HG1 THR 8 HG1 THR 8 5.659 -4.817 -2.560 47 1HG2 THR 8 2HG2 THR 8 2.287 -6.959 -3.242 48 2HG2 THR 8 3HG2 THR 8 3.888 -7.678 -3.405 49 3HG2 THR 8 1HG2 THR 8 3.226 -7.354 -1.803 50 HA PRO 9 HA PRO 9 0.153 -3.483 -5.911 51 1HB PRO 9 1HB PRO 9 -1.015 -6.043 -6.640 52 2HB PRO 9 2HB PRO 9 -0.555 -4.703 -7.699 53 1HG PRO 9 2HG PRO 9 0.800 -7.220 -7.380 54 2HG PRO 9 1HG PRO 9 1.304 -5.853 -8.375 55 1HD PRO 9 1HD PRO 9 2.482 -6.781 -5.939 56 2HD PRO 9 2HD PRO 9 2.983 -5.423 -6.933 57 H CYS 10 H CYS 10 -0.615 -2.989 -3.836 58 HA CYS 10 HA CYS 10 -2.530 -4.927 -2.679 59 1HB CYS 10 2HB CYS 10 -1.606 -4.595 -0.401 60 2HB CYS 10 1HB CYS 10 -0.426 -5.361 -1.462 61 H CYS 11 H CYS 11 -4.231 -3.891 -1.558 62 HA CYS 11 HA CYS 11 -4.149 -0.949 -1.882 63 1HB CYS 11 2HB CYS 11 -6.650 -1.060 -1.627 64 2HB CYS 11 1HB CYS 11 -5.992 -1.768 -3.067 65 H PHE 12 H PHE 12 -4.251 0.378 -0.134 66 HA PHE 12 HA PHE 12 -4.116 -0.887 2.518 67 1HB PHE 12 1HB PHE 12 -3.377 1.299 3.295 68 2HB PHE 12 2HB PHE 12 -2.497 0.889 1.844 69 HD1 PHE 12 HD1 PHE 12 -2.974 2.023 -0.311 70 HD2 PHE 12 HD2 PHE 12 -5.058 3.078 3.323 71 HE1 PHE 12 HE1 PHE 12 -3.843 4.087 -1.405 72 HE2 PHE 12 HE2 PHE 12 -5.919 5.145 2.229 73 HZ PHE 12 HZ PHE 12 -5.315 5.646 -0.136 74 H ALA 13 H ALA 13 -6.124 1.571 0.876 75 HA ALA 13 HA ALA 13 -8.014 1.426 3.162 76 1HB ALA 13 3HB ALA 13 -7.561 3.402 0.943 77 2HB ALA 13 1HB ALA 13 -9.119 3.351 1.768 78 3HB ALA 13 2HB ALA 13 -7.648 3.691 2.681 79 H TYR 14 H TYR 14 -9.956 0.443 2.973 80 HA TYR 14 HA TYR 14 -10.643 -0.499 0.255 81 1HB TYR 14 1HB TYR 14 -12.009 -2.267 1.705 82 2HB TYR 14 2HB TYR 14 -10.338 -2.527 1.276 83 HD1 TYR 14 HD2 TYR 14 -8.514 -1.703 2.928 84 HD2 TYR 14 HD1 TYR 14 -12.678 -2.174 3.970 85 HE1 TYR 14 HE2 TYR 14 -7.911 -1.694 5.334 86 HE2 TYR 14 HE1 TYR 14 -12.069 -2.180 6.386 87 HH TYR 14 HH TYR 14 -8.904 -1.309 7.495 88 H ILE 15 H ILE 15 -12.653 -0.036 -0.540 89 HA ILE 15 HA ILE 15 -14.246 1.962 0.767 90 HB ILE 15 HB ILE 15 -14.213 1.703 -1.680 91 1HG1 ILE 15 1HG1 ILE 15 -16.979 1.033 -0.644 92 2HG1 ILE 15 2HG1 ILE 15 -16.242 2.625 -0.458 93 1HG2 ILE 15 1HG2 ILE 15 -15.429 -0.983 -1.010 94 2HG2 ILE 15 2HG2 ILE 15 -15.574 -0.258 -2.611 95 3HG2 ILE 15 3HG2 ILE 15 -13.982 -0.654 -1.963 96 1HD1 ILE 15 3HD1 ILE 15 -15.816 2.174 -3.115 97 2HD1 ILE 15 1HD1 ILE 15 -17.342 1.322 -2.879 98 3HD1 ILE 15 2HD1 ILE 15 -17.217 3.036 -2.481 99 H ALA 16 H ALA 16 -16.533 1.672 1.426 100 HA ALA 16 HA ALA 16 -16.904 -0.967 2.773 101 1HB ALA 16 1HB ALA 16 -17.029 1.613 3.794 102 2HB ALA 16 2HB ALA 16 -18.724 1.184 3.567 103 3HB ALA 16 3HB ALA 16 -17.686 0.170 4.567 104 H ARG 17 H ARG 17 -17.691 -1.782 0.634 105 HA ARG 17 HA ARG 17 -20.570 -1.746 0.524 106 1HB ARG 17 1HB ARG 17 -20.099 0.458 -0.524 107 2HB ARG 17 2HB ARG 17 -19.131 -0.343 -1.737 108 1HG ARG 17 1HG ARG 17 -21.693 -1.650 -1.527 109 2HG ARG 17 2HG ARG 17 -21.922 0.079 -1.789 110 1HD ARG 17 1HD ARG 17 -19.897 -0.458 -3.548 111 2HD ARG 17 2HD ARG 17 -20.804 -1.970 -3.599 112 HE ARG 17 HE ARG 17 -22.836 -0.506 -4.111 113 1HH1 ARG 17 2HH2 ARG 17 -21.936 2.233 -3.995 114 2HH1 ARG 17 1HH2 ARG 17 -20.798 2.470 -5.279 115 1HH2 ARG 17 1HH1 ARG 17 -22.071 0.142 -6.978 116 2HH2 ARG 17 2HH1 ARG 17 -20.373 0.077 -6.644 117 HA PRO 18 HA PRO 18 -19.027 -5.627 -1.145 118 1HB PRO 18 2HB PRO 18 -21.713 -6.464 -1.700 119 2HB PRO 18 1HB PRO 18 -20.669 -6.994 -0.388 120 1HG PRO 18 2HG PRO 18 -22.960 -5.226 -0.239 121 2HG PRO 18 1HG PRO 18 -21.966 -5.839 1.086 122 1HD PRO 18 1HD PRO 18 -22.016 -3.172 0.048 123 2HD PRO 18 2HD PRO 18 -20.934 -3.819 1.294 124 H LEU 19 H LEU 19 -18.109 -5.049 -3.091 125 HA LEU 19 HA LEU 19 -19.382 -3.812 -5.292 126 1HB LEU 19 1HB LEU 19 -17.158 -5.854 -5.419 127 2HB LEU 19 2HB LEU 19 -17.521 -4.654 -6.630 128 HG LEU 19 HG LEU 19 -16.580 -4.125 -3.807 129 1HD1 LEU 19 3HD1 LEU 19 -14.985 -4.954 -5.714 130 2HD1 LEU 19 1HD1 LEU 19 -15.175 -3.313 -6.335 131 3HD1 LEU 19 2HD1 LEU 19 -14.502 -3.575 -4.726 132 1HD2 LEU 19 2HD2 LEU 19 -17.963 -2.454 -5.756 133 2HD2 LEU 19 3HD2 LEU 19 -17.580 -2.113 -4.069 134 3HD2 LEU 19 1HD2 LEU 19 -16.386 -1.790 -5.327 135 HA PRO 20 HA PRO 20 -22.178 -7.165 -6.361 136 1HB PRO 20 1HB PRO 20 -22.462 -5.988 -9.005 137 2HB PRO 20 2HB PRO 20 -23.653 -6.057 -7.701 138 1HG PRO 20 1HG PRO 20 -22.173 -3.762 -8.590 139 2HG PRO 20 2HG PRO 20 -23.300 -3.851 -7.230 140 1HD PRO 20 1HD PRO 20 -20.427 -3.603 -7.134 141 2HD PRO 20 2HD PRO 20 -21.558 -3.696 -5.771 142 H ARG 21 H ARG 21 -21.263 -9.095 -6.920 143 HA ARG 21 HA ARG 21 -18.847 -9.499 -8.246 144 1HB ARG 21 1HB ARG 21 -19.526 -11.802 -8.560 145 2HB ARG 21 2HB ARG 21 -20.139 -11.253 -7.021 146 1HG ARG 21 1HG ARG 21 -22.058 -12.227 -7.867 147 2HG ARG 21 2HG ARG 21 -22.256 -10.592 -8.499 148 1HD ARG 21 2HD ARG 21 -21.666 -11.207 -10.655 149 2HD ARG 21 1HD ARG 21 -20.681 -12.563 -10.110 150 HE ARG 21 HE ARG 21 -23.308 -13.229 -9.409 151 1HH1 ARG 21 2HH2 ARG 21 -21.423 -14.564 -11.581 152 2HH1 ARG 21 1HH2 ARG 21 -22.111 -13.963 -13.052 153 1HH2 ARG 21 1HH1 ARG 21 -25.030 -13.376 -11.345 154 2HH2 ARG 21 2HH1 ARG 21 -24.296 -12.841 -12.820 155 H ALA 22 H ALA 22 -21.949 -8.756 -9.657 156 HA ALA 22 HA ALA 22 -21.379 -9.659 -12.323 157 1HB ALA 22 3HB ALA 22 -23.646 -8.930 -11.327 158 2HB ALA 22 1HB ALA 22 -23.118 -7.281 -11.660 159 3HB ALA 22 2HB ALA 22 -23.300 -8.431 -12.983 160 H HIS 23 H HIS 23 -21.087 -6.428 -10.812 161 HA HIS 23 HA HIS 23 -19.886 -5.220 -13.138 162 1HB HIS 23 1HB HIS 23 -19.554 -4.364 -10.249 163 2HB HIS 23 2HB HIS 23 -19.366 -3.357 -11.683 164 HD2 HIS 23 HD2 HIS 23 -22.450 -5.443 -12.284 165 HE1 HIS 23 HE1 HIS 23 -23.848 -1.944 -10.366 166 HE2 HIS 23 HE2 HIS 23 -24.544 -4.018 -11.667 167 H ILE 24 H ILE 24 -18.644 -7.185 -10.534 168 HA ILE 24 HA ILE 24 -15.855 -6.416 -11.047 169 HB ILE 24 HB ILE 24 -16.804 -8.806 -9.486 170 1HG1 ILE 24 2HG1 ILE 24 -16.423 -5.963 -8.524 171 2HG1 ILE 24 1HG1 ILE 24 -17.949 -6.807 -8.623 172 1HG2 ILE 24 3HG2 ILE 24 -14.264 -7.217 -9.690 173 2HG2 ILE 24 1HG2 ILE 24 -14.623 -8.120 -8.219 174 3HG2 ILE 24 2HG2 ILE 24 -14.486 -8.963 -9.761 175 1HD1 ILE 24 3HD1 ILE 24 -16.230 -8.509 -7.172 176 2HD1 ILE 24 1HD1 ILE 24 -15.970 -6.889 -6.521 177 3HD1 ILE 24 2HD1 ILE 24 -17.592 -7.584 -6.539 178 H LYS 25 H LYS 25 -14.259 -8.068 -11.628 179 HA LYS 25 HA LYS 25 -15.391 -10.012 -13.590 180 1HB LYS 25 2HB LYS 25 -13.409 -7.844 -13.861 181 2HB LYS 25 1HB LYS 25 -12.962 -9.338 -14.607 182 1HG LYS 25 1HG LYS 25 -15.683 -8.134 -15.035 183 2HG LYS 25 2HG LYS 25 -14.309 -7.695 -16.049 184 1HD LYS 25 1HD LYS 25 -14.087 -9.891 -16.898 185 2HD LYS 25 2HD LYS 25 -15.061 -10.583 -15.599 186 1HE LYS 25 1HE LYS 25 -16.161 -8.633 -17.640 187 2HE LYS 25 2HE LYS 25 -16.253 -10.383 -17.831 188 1HZ LYS 25 1HZ LYS 25 -17.367 -10.445 -15.625 189 2HZ LYS 25 2HZ LYS 25 -17.432 -8.748 -15.657 190 3HZ LYS 25 3HZ LYS 25 -18.262 -9.651 -16.831 191 H GLU 26 H GLU 26 -12.947 -9.320 -11.157 192 HA GLU 26 HA GLU 26 -12.441 -12.143 -10.741 193 1HB GLU 26 1HB GLU 26 -9.832 -11.534 -11.105 194 2HB GLU 26 2HB GLU 26 -10.818 -12.218 -12.375 195 1HG GLU 26 2HG GLU 26 -10.982 -9.291 -12.224 196 2HG GLU 26 1HG GLU 26 -9.377 -9.879 -12.556 197 H TYR 27 H TYR 27 -9.914 -11.716 -9.335 198 HA TYR 27 HA TYR 27 -10.308 -9.451 -7.567 199 1HB TYR 27 1HB TYR 27 -10.404 -10.985 -5.520 200 2HB TYR 27 2HB TYR 27 -11.881 -10.914 -6.482 201 HD1 TYR 27 HD1 TYR 27 -8.780 -12.908 -5.870 202 HD2 TYR 27 HD2 TYR 27 -12.739 -12.854 -7.591 203 HE1 TYR 27 HE1 TYR 27 -8.640 -15.365 -6.265 204 HE2 TYR 27 HE2 TYR 27 -12.600 -15.312 -7.986 205 HH TYR 27 HH TYR 27 -9.620 -17.079 -7.577 206 H PHE 28 H PHE 28 -8.557 -9.909 -5.590 207 HA PHE 28 HA PHE 28 -6.321 -11.493 -6.532 208 1HB PHE 28 2HB PHE 28 -5.989 -9.632 -8.024 209 2HB PHE 28 1HB PHE 28 -6.216 -8.474 -6.716 210 HD1 PHE 28 HD1 PHE 28 -3.939 -11.120 -8.045 211 HD2 PHE 28 HD2 PHE 28 -4.426 -7.873 -5.243 212 HE1 PHE 28 HE1 PHE 28 -1.501 -11.204 -7.521 213 HE2 PHE 28 HE2 PHE 28 -2.001 -7.972 -4.700 214 HZ PHE 28 HZ PHE 28 -0.531 -9.626 -5.852 215 H TYR 29 H TYR 29 -6.539 -12.350 -4.351 216 HA TYR 29 HA TYR 29 -6.469 -10.750 -1.992 217 1HB TYR 29 1HB TYR 29 -7.037 -13.122 -1.897 218 2HB TYR 29 2HB TYR 29 -5.428 -13.557 -2.465 219 HD1 TYR 29 HD2 TYR 29 -7.376 -12.185 0.376 220 HD2 TYR 29 HD1 TYR 29 -3.490 -13.466 -1.002 221 HE1 TYR 29 HE2 TYR 29 -6.536 -12.166 2.722 222 HE2 TYR 29 HE1 TYR 29 -2.651 -13.447 1.344 223 HH TYR 29 HH TYR 29 -3.996 -13.713 3.782 224 H THR 30 H THR 30 -4.827 -9.719 -1.003 225 HA THR 30 HA THR 30 -2.174 -9.750 -2.329 226 HB THR 30 HB THR 30 -3.039 -7.542 -1.932 227 HG1 THR 30 HG1 THR 30 -0.945 -7.436 -1.474 228 1HG2 THR 30 2HG2 THR 30 -3.590 -8.634 0.826 229 2HG2 THR 30 3HG2 THR 30 -3.483 -6.897 0.537 230 3HG2 THR 30 1HG2 THR 30 -4.710 -7.855 -0.290 231 H SER 31 H SER 31 -0.291 -10.399 -1.261 232 HA SER 31 HA SER 31 -0.591 -12.305 0.885 233 1HB SER 31 1HB SER 31 2.046 -11.027 0.222 234 2HB SER 31 2HB SER 31 1.694 -12.706 0.630 235 HG SER 31 HG SER 31 1.983 -11.735 -1.747 236 H GLY 32 H GLY 32 1.713 -11.583 2.479 237 1HA GLY 32 1HA GLY 32 0.448 -9.435 4.108 238 2HA GLY 32 2HA GLY 32 1.596 -10.631 4.715 239 H LYS 33 H LYS 33 2.231 -9.096 1.662 240 HA LYS 33 HA LYS 33 4.797 -8.146 2.470 241 1HB LYS 33 1HB LYS 33 3.104 -7.124 0.172 242 2HB LYS 33 2HB LYS 33 4.856 -7.016 0.318 243 1HG LYS 33 2HG LYS 33 4.459 -9.703 0.652 244 2HG LYS 33 1HG LYS 33 3.169 -9.302 -0.481 245 1HD LYS 33 1HD LYS 33 4.782 -9.499 -2.070 246 2HD LYS 33 2HD LYS 33 5.283 -7.896 -1.527 247 1HE LYS 33 1HE LYS 33 7.276 -9.131 -1.380 248 2HE LYS 33 2HE LYS 33 6.656 -9.207 0.269 249 1HZ LYS 33 3HZ LYS 33 5.762 -11.275 -1.582 250 2HZ LYS 33 1HZ LYS 33 7.380 -11.354 -1.071 251 3HZ LYS 33 2HZ LYS 33 6.125 -11.382 0.074 252 H CYS 34 H CYS 34 2.045 -6.106 1.456 253 HA CYS 34 HA CYS 34 3.110 -3.775 2.793 254 1HB CYS 34 2HB CYS 34 0.226 -4.164 1.965 255 2HB CYS 34 1HB CYS 34 1.137 -2.657 2.059 256 H SER 35 H SER 35 1.718 -2.587 4.478 257 HA SER 35 HA SER 35 1.049 -4.524 6.622 258 1HB SER 35 1HB SER 35 2.494 -2.249 6.750 259 2HB SER 35 2HB SER 35 0.898 -1.591 7.107 260 HG SER 35 HG SER 35 1.294 -2.297 9.038 261 H ASN 36 H ASN 36 -0.775 -4.360 4.451 262 HA ASN 36 HA ASN 36 -3.205 -3.553 5.918 263 1HB ASN 36 2HB ASN 36 -2.137 -2.131 3.548 264 2HB ASN 36 1HB ASN 36 -3.839 -2.518 3.497 265 1HD2 ASN 36 1HD2 ASN 36 -4.384 -1.308 6.751 266 2HD2 ASN 36 2HD2 ASN 36 -5.260 -1.085 5.313 267 HA PRO 37 HA PRO 37 -3.397 -7.546 3.549 268 1HB PRO 37 1HB PRO 37 -5.302 -8.359 5.585 269 2HB PRO 37 2HB PRO 37 -3.709 -9.044 5.240 270 1HG PRO 37 1HG PRO 37 -4.461 -7.400 7.479 271 2HG PRO 37 2HG PRO 37 -2.854 -8.036 7.102 272 1HD PRO 37 2HD PRO 37 -3.767 -5.307 6.902 273 2HD PRO 37 1HD PRO 37 -2.159 -5.947 6.514 274 H ALA 38 H ALA 38 -5.072 -8.009 2.086 275 HA ALA 38 HA ALA 38 -7.814 -7.217 2.548 276 1HB ALA 38 3HB ALA 38 -6.390 -5.034 1.954 277 2HB ALA 38 1HB ALA 38 -6.581 -5.634 0.305 278 3HB ALA 38 2HB ALA 38 -8.003 -5.269 1.283 279 H VAL 39 H VAL 39 -8.627 -6.865 -0.037 280 HA VAL 39 HA VAL 39 -7.567 -9.104 -1.630 281 HB VAL 39 HB VAL 39 -9.720 -9.494 0.068 282 1HG1 VAL 39 1HG1 VAL 39 -11.017 -7.989 -1.596 283 2HG1 VAL 39 2HG1 VAL 39 -10.972 -9.402 -2.652 284 3HG1 VAL 39 3HG1 VAL 39 -11.749 -9.505 -1.071 285 1HG2 VAL 39 3HG2 VAL 39 -8.472 -10.874 -2.185 286 2HG2 VAL 39 1HG2 VAL 39 -8.912 -11.478 -0.584 287 3HG2 VAL 39 2HG2 VAL 39 -10.131 -11.384 -1.860 288 H VAL 40 H VAL 40 -7.642 -8.465 -3.746 289 HA VAL 40 HA VAL 40 -8.936 -5.829 -4.135 290 HB VAL 40 HB VAL 40 -6.490 -7.051 -5.390 291 1HG1 VAL 40 1HG1 VAL 40 -8.292 -5.239 -6.642 292 2HG1 VAL 40 2HG1 VAL 40 -6.913 -4.294 -6.104 293 3HG1 VAL 40 3HG1 VAL 40 -6.670 -5.678 -7.165 294 1HG2 VAL 40 1HG2 VAL 40 -6.653 -5.850 -3.075 295 2HG2 VAL 40 2HG2 VAL 40 -5.357 -5.390 -4.184 296 3HG2 VAL 40 3HG2 VAL 40 -6.806 -4.385 -4.049 297 H PHE 41 H PHE 41 -10.652 -5.708 -5.331 298 HA PHE 41 HA PHE 41 -11.289 -7.901 -7.137 299 1HB PHE 41 2HB PHE 41 -12.770 -5.465 -6.175 300 2HB PHE 41 1HB PHE 41 -13.371 -6.388 -7.551 301 HD1 PHE 41 HD1 PHE 41 -13.018 -9.141 -6.999 302 HD2 PHE 41 HD2 PHE 41 -13.885 -5.973 -4.198 303 HE1 PHE 41 HE1 PHE 41 -14.035 -10.800 -5.438 304 HE2 PHE 41 HE2 PHE 41 -14.900 -7.628 -2.641 305 HZ PHE 41 HZ PHE 41 -14.985 -10.040 -3.260 306 H VAL 42 H VAL 42 -11.081 -7.886 -9.223 307 HA VAL 42 HA VAL 42 -10.058 -5.384 -10.494 308 HB VAL 42 HB VAL 42 -9.723 -7.522 -12.283 309 1HG1 VAL 42 3HG2 VAL 42 -7.898 -6.091 -10.355 310 2HG1 VAL 42 1HG2 VAL 42 -7.290 -7.175 -11.608 311 3HG1 VAL 42 2HG2 VAL 42 -8.163 -5.710 -12.061 312 1HG2 VAL 42 2HG1 VAL 42 -10.079 -9.110 -10.429 313 2HG2 VAL 42 3HG1 VAL 42 -8.423 -9.168 -11.012 314 3HG2 VAL 42 1HG1 VAL 42 -8.804 -8.323 -9.512 315 H THR 43 H THR 43 -12.262 -4.600 -10.699 316 HA THR 43 HA THR 43 -14.334 -6.187 -11.971 317 HB THR 43 HB THR 43 -15.756 -4.315 -11.628 318 HG1 THR 43 HG1 THR 43 -14.919 -2.252 -11.304 319 1HG2 THR 43 1HG2 THR 43 -14.859 -5.393 -9.542 320 2HG2 THR 43 2HG2 THR 43 -13.650 -4.113 -9.458 321 3HG2 THR 43 3HG2 THR 43 -15.363 -3.720 -9.315 322 H ARG 44 H ARG 44 -15.640 -4.356 -13.569 323 HA ARG 44 HA ARG 44 -14.672 -4.938 -16.096 324 1HB ARG 44 1HB ARG 44 -15.977 -2.815 -16.822 325 2HB ARG 44 2HB ARG 44 -16.868 -4.092 -16.041 326 1HG ARG 44 1HG ARG 44 -15.916 -2.473 -13.942 327 2HG ARG 44 2HG ARG 44 -16.482 -1.358 -15.181 328 1HD ARG 44 1HD ARG 44 -18.553 -2.977 -15.287 329 2HD ARG 44 2HD ARG 44 -18.016 -3.455 -13.675 330 HE ARG 44 HE ARG 44 -18.054 -0.686 -13.566 331 1HH1 ARG 44 1HH1 ARG 44 -20.298 -2.140 -15.516 332 2HH1 ARG 44 2HH1 ARG 44 -21.683 -1.616 -14.617 333 1HH2 ARG 44 2HH2 ARG 44 -19.934 -1.009 -11.741 334 2HH2 ARG 44 1HH2 ARG 44 -21.331 -0.471 -12.612 335 H LYS 45 H LYS 45 -14.261 -1.698 -14.544 336 HA LYS 45 HA LYS 45 -12.306 -0.766 -16.412 337 1HB LYS 45 2HB LYS 45 -12.845 -0.116 -13.513 338 2HB LYS 45 1HB LYS 45 -11.506 0.615 -14.365 339 1HG LYS 45 1HG LYS 45 -13.298 1.182 -16.185 340 2HG LYS 45 2HG LYS 45 -14.451 0.912 -14.878 341 1HD LYS 45 1HD LYS 45 -14.057 3.145 -14.505 342 2HD LYS 45 2HD LYS 45 -12.702 2.498 -13.581 343 1HE LYS 45 1HE LYS 45 -11.148 3.130 -15.157 344 2HE LYS 45 2HE LYS 45 -12.271 2.916 -16.501 345 1HZ LYS 45 1HZ LYS 45 -12.466 5.106 -14.507 346 2HZ LYS 45 2HZ LYS 45 -11.708 5.264 -16.019 347 3HZ LYS 45 3HZ LYS 45 -13.372 4.935 -15.934 348 H ASN 46 H ASN 46 -12.241 -2.869 -13.662 349 HA ASN 46 HA ASN 46 -10.732 -4.427 -12.930 350 1HB ASN 46 1HB ASN 46 -10.039 -3.950 -15.727 351 2HB ASN 46 2HB ASN 46 -8.615 -4.330 -14.794 352 1HD2 ASN 46 1HD2 ASN 46 -10.433 -7.137 -16.336 353 2HD2 ASN 46 2HD2 ASN 46 -8.804 -6.711 -16.114 354 H ARG 47 H ARG 47 -10.252 -1.299 -12.681 355 HA ARG 47 HA ARG 47 -7.425 -1.070 -12.142 356 1HB ARG 47 1HB ARG 47 -9.697 0.227 -10.589 357 2HB ARG 47 2HB ARG 47 -8.022 0.777 -10.651 358 1HG ARG 47 1HG ARG 47 -9.512 0.486 -13.232 359 2HG ARG 47 2HG ARG 47 -9.879 1.874 -12.208 360 1HD ARG 47 1HD ARG 47 -7.070 1.677 -12.222 361 2HD ARG 47 2HD ARG 47 -7.567 1.415 -13.894 362 HE ARG 47 HE ARG 47 -8.911 3.692 -12.674 363 1HH1 ARG 47 2HH1 ARG 47 -6.483 2.864 -15.190 364 2HH1 ARG 47 1HH1 ARG 47 -7.277 4.292 -15.766 365 1HH2 ARG 47 1HH2 ARG 47 -5.946 5.022 -12.687 366 2HH2 ARG 47 2HH2 ARG 47 -7.200 5.991 -13.388 367 H GLN 48 H GLN 48 -6.366 -1.680 -10.063 368 HA GLN 48 HA GLN 48 -7.725 -3.984 -8.980 369 1HB GLN 48 1HB GLN 48 -5.021 -2.818 -8.705 370 2HB GLN 48 2HB GLN 48 -5.586 -3.845 -7.385 371 1HG GLN 48 1HG GLN 48 -6.110 -5.631 -8.958 372 2HG GLN 48 2HG GLN 48 -5.750 -4.605 -10.314 373 1HE2 GLN 48 1HE2 GLN 48 -2.686 -5.587 -7.787 374 2HE2 GLN 48 2HE2 GLN 48 -4.110 -6.505 -7.685 375 H VAL 49 H VAL 49 -9.504 -3.205 -8.120 376 HA VAL 49 HA VAL 49 -9.591 -1.047 -6.209 377 HB VAL 49 HB VAL 49 -11.860 -2.920 -6.292 378 1HG1 VAL 49 3HG1 VAL 49 -11.462 0.051 -6.635 379 2HG1 VAL 49 1HG1 VAL 49 -13.044 -0.731 -6.671 380 3HG1 VAL 49 2HG1 VAL 49 -12.067 -0.787 -5.202 381 1HG2 VAL 49 3HG2 VAL 49 -10.692 -1.802 -8.803 382 2HG2 VAL 49 1HG2 VAL 49 -11.730 -3.207 -8.605 383 3HG2 VAL 49 2HG2 VAL 49 -12.425 -1.591 -8.604 384 H CYS 50 H CYS 50 -10.718 -1.532 -4.017 385 HA CYS 50 HA CYS 50 -9.361 -3.886 -2.790 386 1HB CYS 50 1HB CYS 50 -9.225 -1.207 -2.137 387 2HB CYS 50 2HB CYS 50 -10.483 -1.760 -1.074 388 H ALA 51 H ALA 51 -10.798 -3.853 -0.403 389 HA ALA 51 HA ALA 51 -13.525 -3.647 -0.284 390 1HB ALA 51 2HB ALA 51 -12.751 -6.070 -1.899 391 2HB ALA 51 3HB ALA 51 -14.229 -6.059 -0.943 392 3HB ALA 51 1HB ALA 51 -14.011 -4.881 -2.231 393 H ASN 52 H ASN 52 -10.896 -4.387 1.226 394 HA ASN 52 HA ASN 52 -10.464 -5.313 3.315 395 1HB ASN 52 1HB ASN 52 -12.789 -4.353 3.735 396 2HB ASN 52 2HB ASN 52 -13.407 -5.967 3.388 397 1HD2 ASN 52 1HD2 ASN 52 -11.689 -4.764 6.761 398 2HD2 ASN 52 2HD2 ASN 52 -10.499 -4.945 5.564 399 HA PRO 53 HA PRO 53 -10.201 -9.544 2.087 400 1HB PRO 53 2HB PRO 53 -8.687 -10.450 4.171 401 2HB PRO 53 1HB PRO 53 -8.033 -9.524 2.844 402 1HG PRO 53 1HG PRO 53 -8.502 -8.648 5.634 403 2HG PRO 53 2HG PRO 53 -7.418 -7.971 4.435 404 1HD PRO 53 2HD PRO 53 -9.984 -6.959 5.194 405 2HD PRO 53 1HD PRO 53 -8.954 -6.362 3.898 406 H GLU 54 H GLU 54 -11.366 -8.629 5.312 407 HA GLU 54 HA GLU 54 -12.708 -11.301 5.507 408 1HB GLU 54 1HB GLU 54 -11.490 -9.523 7.607 409 2HB GLU 54 2HB GLU 54 -12.734 -10.697 8.037 410 1HG GLU 54 1HG GLU 54 -11.324 -12.457 7.770 411 2HG GLU 54 2HG GLU 54 -10.621 -11.785 6.298 412 H LYS 55 H LYS 55 -13.928 -9.024 4.176 413 HA LYS 55 HA LYS 55 -15.939 -8.010 6.089 414 1HB LYS 55 1HB LYS 55 -14.875 -7.055 3.668 415 2HB LYS 55 2HB LYS 55 -16.543 -7.421 3.328 416 1HG LYS 55 1HG LYS 55 -16.375 -5.123 4.140 417 2HG LYS 55 2HG LYS 55 -17.218 -6.107 5.335 418 1HD LYS 55 1HD LYS 55 -14.752 -6.466 6.263 419 2HD LYS 55 2HD LYS 55 -14.469 -4.932 5.440 420 1HE LYS 55 1HE LYS 55 -15.453 -3.837 7.142 421 2HE LYS 55 2HE LYS 55 -16.944 -4.735 6.858 422 1HZ LYS 55 3HZ LYS 55 -14.762 -6.083 8.268 423 2HZ LYS 55 1HZ LYS 55 -15.658 -4.917 9.117 424 3HZ LYS 55 2HZ LYS 55 -16.441 -6.266 8.443 425 H LYS 56 H LYS 56 -15.771 -10.938 5.250 426 HA LYS 56 HA LYS 56 -17.287 -12.658 4.823 427 1HB LYS 56 1HB LYS 56 -19.266 -10.405 5.257 428 2HB LYS 56 2HB LYS 56 -19.718 -12.099 5.087 429 1HG LYS 56 1HG LYS 56 -18.523 -12.707 7.070 430 2HG LYS 56 2HG LYS 56 -17.721 -11.138 7.147 431 1HD LYS 56 1HD LYS 56 -19.508 -10.141 8.137 432 2HD LYS 56 2HD LYS 56 -20.664 -10.986 7.106 433 1HE LYS 56 1HE LYS 56 -21.161 -12.122 9.021 434 2HE LYS 56 2HE LYS 56 -19.721 -13.055 8.612 435 1HZ LYS 56 3HZ LYS 56 -18.422 -11.434 9.931 436 2HZ LYS 56 1HZ LYS 56 -19.877 -10.711 10.426 437 3HZ LYS 56 2HZ LYS 56 -19.537 -12.318 10.858 438 H TRP 57 H TRP 57 -19.417 -10.259 3.340 439 HA TRP 57 HA TRP 57 -19.968 -11.598 0.998 440 1HB TRP 57 1HB TRP 57 -20.579 -9.467 0.018 441 2HB TRP 57 2HB TRP 57 -21.029 -9.463 1.727 442 HD1 TRP 57 HD1 TRP 57 -20.019 -7.532 3.136 443 HE1 TRP 57 HE1 TRP 57 -18.355 -5.629 2.608 444 HE3 TRP 57 HE3 TRP 57 -18.451 -9.076 -1.416 445 HZ2 TRP 57 HZ2 TRP 57 -16.571 -4.863 0.458 446 HZ3 TRP 57 HZ3 TRP 57 -16.877 -7.746 -2.747 447 HH2 TRP 57 HH2 TRP 57 -15.932 -5.634 -1.826 448 H VAL 58 H VAL 58 -16.969 -9.935 1.699 449 HA VAL 58 HA VAL 58 -16.040 -9.750 -1.014 450 HB VAL 58 HB VAL 58 -13.702 -10.043 0.210 451 1HG1 VAL 58 3HG1 VAL 58 -15.056 -7.987 -0.756 452 2HG1 VAL 58 1HG1 VAL 58 -15.136 -7.555 0.950 453 3HG1 VAL 58 2HG1 VAL 58 -13.572 -7.773 0.159 454 1HG2 VAL 58 2HG2 VAL 58 -15.278 -10.587 2.334 455 2HG2 VAL 58 3HG2 VAL 58 -13.656 -9.907 2.454 456 3HG2 VAL 58 1HG2 VAL 58 -15.062 -8.847 2.515 457 H ARG 59 H ARG 59 -15.367 -12.257 1.469 458 HA ARG 59 HA ARG 59 -13.930 -13.958 -0.339 459 1HB ARG 59 2HB ARG 59 -15.415 -14.574 2.228 460 2HB ARG 59 1HB ARG 59 -14.422 -15.735 1.382 461 1HG ARG 59 2HG ARG 59 -12.673 -13.696 1.507 462 2HG ARG 59 1HG ARG 59 -13.610 -13.339 2.936 463 1HD ARG 59 1HD ARG 59 -13.028 -15.337 3.989 464 2HD ARG 59 2HD ARG 59 -12.679 -16.150 2.463 465 HE ARG 59 HE ARG 59 -10.644 -14.562 2.362 466 1HH1 ARG 59 2HH2 ARG 59 -11.721 -15.786 5.711 467 2HH1 ARG 59 1HH2 ARG 59 -10.349 -16.719 5.214 468 1HH2 ARG 59 1HH1 ARG 59 -9.300 -13.435 3.959 469 2HH2 ARG 59 2HH1 ARG 59 -9.265 -14.087 5.564 470 H GLU 60 H GLU 60 -17.334 -13.728 0.590 471 HA GLU 60 HA GLU 60 -18.193 -16.064 -0.878 472 1HB GLU 60 1HB GLU 60 -19.578 -13.648 0.261 473 2HB GLU 60 2HB GLU 60 -20.458 -14.750 -0.799 474 1HG GLU 60 1HG GLU 60 -19.366 -16.573 0.811 475 2HG GLU 60 2HG GLU 60 -19.345 -15.231 1.930 476 H TYR 61 H TYR 61 -17.142 -12.961 -1.830 477 HA TYR 61 HA TYR 61 -18.566 -13.068 -4.425 478 1HB TYR 61 1HB TYR 61 -16.927 -10.989 -2.984 479 2HB TYR 61 2HB TYR 61 -17.214 -10.847 -4.698 480 HD1 TYR 61 HD1 TYR 61 -19.747 -12.440 -2.524 481 HD2 TYR 61 HD2 TYR 61 -18.502 -8.759 -4.415 482 HE1 TYR 61 HE1 TYR 61 -21.965 -11.430 -2.020 483 HE2 TYR 61 HE2 TYR 61 -20.725 -7.753 -3.900 484 HH TYR 61 HH TYR 61 -23.060 -8.580 -3.479 485 H ILE 62 H ILE 62 -15.470 -13.642 -2.935 486 HA ILE 62 HA ILE 62 -13.800 -13.486 -5.248 487 HB ILE 62 HB ILE 62 -13.625 -15.106 -2.691 488 1HG1 ILE 62 1HG1 ILE 62 -13.410 -12.614 -2.579 489 2HG1 ILE 62 2HG1 ILE 62 -11.972 -13.452 -2.059 490 1HG2 ILE 62 1HG2 ILE 62 -11.873 -15.108 -5.109 491 2HG2 ILE 62 2HG2 ILE 62 -11.094 -15.153 -3.528 492 3HG2 ILE 62 3HG2 ILE 62 -12.237 -16.416 -3.984 493 1HD1 ILE 62 2HD1 ILE 62 -10.991 -13.126 -4.321 494 2HD1 ILE 62 3HD1 ILE 62 -12.425 -12.210 -4.784 495 3HD1 ILE 62 1HD1 ILE 62 -11.355 -11.595 -3.525 496 H ASN 63 H ASN 63 -15.588 -16.229 -3.811 497 HA ASN 63 HA ASN 63 -14.820 -18.044 -5.953 498 1HB ASN 63 2HB ASN 63 -16.482 -18.160 -3.514 499 2HB ASN 63 1HB ASN 63 -17.012 -19.202 -4.813 500 1HD2 ASN 63 2HD2 ASN 63 -15.247 -21.625 -4.034 501 2HD2 ASN 63 1HD2 ASN 63 -15.652 -20.822 -2.594 502 H SER 64 H SER 64 -17.662 -16.054 -5.207 503 HA SER 64 HA SER 64 -19.427 -17.030 -7.180 504 1HB SER 64 2HB SER 64 -19.975 -15.315 -5.420 505 2HB SER 64 1HB SER 64 -19.104 -14.123 -6.384 506 HG SER 64 HG SER 64 -21.558 -15.320 -6.816 507 H LEU 65 H LEU 65 -16.674 -14.844 -7.473 508 HA LEU 65 HA LEU 65 -17.229 -13.966 -10.154 509 1HB LEU 65 1HB LEU 65 -14.716 -14.114 -8.495 510 2HB LEU 65 2HB LEU 65 -14.676 -13.568 -10.154 511 HG LEU 65 HG LEU 65 -16.470 -12.383 -8.021 512 1HD1 LEU 65 2HD1 LEU 65 -13.706 -11.699 -8.972 513 2HD1 LEU 65 3HD1 LEU 65 -14.793 -10.399 -8.484 514 3HD1 LEU 65 1HD1 LEU 65 -14.362 -11.665 -7.335 515 1HD2 LEU 65 2HD2 LEU 65 -16.248 -12.115 -10.923 516 2HD2 LEU 65 3HD2 LEU 65 -17.518 -11.544 -9.840 517 3HD2 LEU 65 1HD2 LEU 65 -16.073 -10.566 -10.096 518 H GLU 66 H GLU 66 -15.145 -14.573 -11.763 519 HA GLU 66 HA GLU 66 -15.140 -17.562 -11.898 520 1HB GLU 66 1HB GLU 66 -15.479 -15.562 -14.150 521 2HB GLU 66 2HB GLU 66 -15.170 -17.279 -14.403 522 1HG GLU 66 1HG GLU 66 -17.243 -17.390 -12.634 523 2HG GLU 66 2HG GLU 66 -17.642 -15.916 -13.515 524 H MET 67 H MET 67 -13.199 -18.499 -12.688 525 HA MET 67 HA MET 67 -10.883 -16.610 -12.757 526 1HB MET 67 1HB MET 67 -11.063 -18.476 -10.960 527 2HB MET 67 2HB MET 67 -10.672 -19.580 -12.279 528 1HG MET 67 1HG MET 67 -8.764 -17.716 -12.690 529 2HG MET 67 2HG MET 67 -8.968 -17.536 -10.947 530 1HE MET 67 2HE MET 67 -9.308 -19.260 -9.477 531 2HE MET 67 1HE MET 67 -9.512 -20.936 -9.988 532 3HE MET 67 3HE MET 67 -8.003 -20.422 -9.233 533 H SER 68 H SER 68 -12.137 -16.694 -15.128 534 HA SER 68 HA SER 68 -10.164 -17.781 -16.909 535 1HB SER 68 1HB SER 68 -12.324 -19.554 -16.137 536 2HB SER 68 2HB SER 68 -12.393 -19.211 -17.866 537 HG SER 68 HG SER 68 -10.265 -19.874 -18.055 538 H SER 1 H SER 1 -11.877 7.775 4.715 539 HA SER 1 HA SER 1 -14.358 8.613 3.282 540 1HB SER 1 1HB SER 1 -12.011 10.279 4.081 541 2HB SER 1 2HB SER 1 -12.732 10.587 2.501 542 HG SER 1 HG SER 1 -14.405 11.421 3.436 543 HA PRO 2 HA PRO 2 -11.356 6.086 0.719 544 1HB PRO 2 1HB PRO 2 -13.660 4.706 -0.334 545 2HB PRO 2 2HB PRO 2 -12.367 4.045 0.674 546 1HG PRO 2 1HG PRO 2 -15.092 4.609 1.441 547 2HG PRO 2 2HG PRO 2 -13.798 3.947 2.448 548 1HD PRO 2 1HD PRO 2 -14.942 6.595 2.545 549 2HD PRO 2 2HD PRO 2 -13.645 5.931 3.558 550 H TYR 3 H TYR 3 -10.915 6.742 -1.376 551 HA TYR 3 HA TYR 3 -13.069 8.256 -2.800 552 1HB TYR 3 1HB TYR 3 -10.255 8.887 -2.230 553 2HB TYR 3 2HB TYR 3 -10.690 9.092 -3.927 554 HD1 TYR 3 HD2 TYR 3 -12.480 10.672 -4.602 555 HD2 TYR 3 HD1 TYR 3 -11.237 10.275 -0.486 556 HE1 TYR 3 HE2 TYR 3 -13.647 12.803 -4.044 557 HE2 TYR 3 HE1 TYR 3 -12.403 12.407 0.072 558 HH TYR 3 HH TYR 3 -13.250 14.367 -0.951 559 H SER 4 H SER 4 -10.001 6.529 -3.495 560 HA SER 4 HA SER 4 -11.175 5.652 -6.080 561 1HB SER 4 1HB SER 4 -8.404 4.879 -5.326 562 2HB SER 4 2HB SER 4 -9.029 5.465 -6.868 563 HG SER 4 HG SER 4 -7.662 6.857 -5.252 564 H SER 5 H SER 5 -9.612 4.288 -3.174 565 HA SER 5 HA SER 5 -9.840 2.163 -2.205 566 1HB SER 5 1HB SER 5 -12.142 1.603 -4.063 567 2HB SER 5 2HB SER 5 -11.919 1.089 -2.392 568 HG SER 5 HG SER 5 -12.674 2.930 -1.706 569 H ASP 6 H ASP 6 -7.809 2.002 -3.714 570 HA ASP 6 HA ASP 6 -8.100 -0.518 -5.236 571 1HB ASP 6 2HB ASP 6 -6.979 0.389 -7.226 572 2HB ASP 6 1HB ASP 6 -8.461 1.291 -6.914 573 H THR 7 H THR 7 -5.502 -0.481 -6.349 574 HA THR 7 HA THR 7 -3.990 -0.893 -3.874 575 HB THR 7 HB THR 7 -3.940 -2.592 -5.685 576 HG1 THR 7 HG1 THR 7 -1.743 -2.884 -5.579 577 1HG2 THR 7 1HG2 THR 7 -4.076 -0.946 -7.568 578 2HG2 THR 7 2HG2 THR 7 -2.411 -0.474 -7.228 579 3HG2 THR 7 3HG2 THR 7 -2.770 -2.114 -7.771 580 H THR 8 H THR 8 -1.558 -0.232 -4.023 581 HA THR 8 HA THR 8 -1.189 2.384 -5.377 582 HB THR 8 HB THR 8 -0.482 2.053 -2.457 583 HG1 THR 8 HG1 THR 8 -2.741 1.833 -2.730 584 1HG2 THR 8 2HG2 THR 8 0.565 3.844 -3.936 585 2HG2 THR 8 3HG2 THR 8 -1.047 4.540 -4.088 586 3HG2 THR 8 1HG2 THR 8 -0.275 4.443 -2.506 587 HA PRO 9 HA PRO 9 2.532 0.018 -6.226 588 1HB PRO 9 1HB PRO 9 3.634 2.444 -7.386 589 2HB PRO 9 2HB PRO 9 3.111 0.972 -8.212 590 1HG PRO 9 2HG PRO 9 1.767 3.513 -8.162 591 2HG PRO 9 1HG PRO 9 1.204 2.020 -8.916 592 1HD PRO 9 2HD PRO 9 0.190 3.289 -6.561 593 2HD PRO 9 1HD PRO 9 -0.371 1.806 -7.317 594 H CYS 10 H CYS 10 3.452 -0.185 -4.167 595 HA CYS 10 HA CYS 10 5.425 1.890 -3.423 596 1HB CYS 10 2HB CYS 10 4.658 1.890 -1.065 597 2HB CYS 10 1HB CYS 10 3.404 2.501 -2.142 598 H CYS 11 H CYS 11 7.204 1.015 -2.290 599 HA CYS 11 HA CYS 11 7.114 -1.943 -2.185 600 1HB CYS 11 1HB CYS 11 9.627 -1.810 -2.122 601 2HB CYS 11 2HB CYS 11 8.868 -1.306 -3.597 602 H PHE 12 H PHE 12 7.339 -3.008 -0.275 603 HA PHE 12 HA PHE 12 7.382 -1.376 2.172 604 1HB PHE 12 2HB PHE 12 6.714 -3.423 3.304 605 2HB PHE 12 1HB PHE 12 5.730 -3.222 1.876 606 HD1 PHE 12 HD1 PHE 12 6.060 -4.656 -0.125 607 HD2 PHE 12 HD2 PHE 12 8.399 -5.192 3.467 608 HE1 PHE 12 HE1 PHE 12 6.862 -6.856 -0.975 609 HE2 PHE 12 HE2 PHE 12 9.189 -7.400 2.622 610 HZ PHE 12 HZ PHE 12 8.426 -8.228 0.398 611 H ALA 13 H ALA 13 9.284 -4.052 0.762 612 HA ALA 13 HA ALA 13 11.326 -3.595 2.869 613 1HB ALA 13 3HB ALA 13 10.732 -5.860 0.987 614 2HB ALA 13 1HB ALA 13 12.343 -5.702 1.688 615 3HB ALA 13 2HB ALA 13 10.939 -5.901 2.738 616 H TYR 14 H TYR 14 13.243 -2.653 2.411 617 HA TYR 14 HA TYR 14 13.739 -2.109 -0.452 618 1HB TYR 14 2HB TYR 14 15.195 -0.160 0.638 619 2HB TYR 14 1HB TYR 14 13.497 0.045 0.290 620 HD1 TYR 14 HD2 TYR 14 11.792 -0.530 2.163 621 HD2 TYR 14 HD1 TYR 14 16.015 0.067 2.841 622 HE1 TYR 14 HE2 TYR 14 11.355 -0.200 4.583 623 HE2 TYR 14 HE1 TYR 14 15.572 0.414 5.268 624 HH TYR 14 HH TYR 14 12.494 -0.281 6.702 625 H ILE 15 H ILE 15 15.695 -2.687 -1.309 626 HA ILE 15 HA ILE 15 17.382 -4.488 0.156 627 HB ILE 15 HB ILE 15 17.182 -4.578 -2.296 628 1HG1 ILE 15 1HG1 ILE 15 20.008 -3.781 -1.556 629 2HG1 ILE 15 2HG1 ILE 15 19.294 -5.327 -1.099 630 1HG2 ILE 15 1HG2 ILE 15 18.426 -1.829 -2.096 631 2HG2 ILE 15 2HG2 ILE 15 18.465 -2.773 -3.585 632 3HG2 ILE 15 3HG2 ILE 15 16.919 -2.282 -2.892 633 1HD1 ILE 15 3HD1 ILE 15 18.686 -5.254 -3.756 634 2HD1 ILE 15 1HD1 ILE 15 20.219 -4.382 -3.748 635 3HD1 ILE 15 2HD1 ILE 15 20.133 -6.022 -3.104 636 H ALA 16 H ALA 16 19.708 -4.117 0.610 637 HA ALA 16 HA ALA 16 20.155 -1.318 1.542 638 1HB ALA 16 1HB ALA 16 20.364 -3.728 2.906 639 2HB ALA 16 2HB ALA 16 22.037 -3.342 2.505 640 3HB ALA 16 3HB ALA 16 21.062 -2.192 3.421 641 H ARG 17 H ARG 17 20.792 -0.814 -0.739 642 HA ARG 17 HA ARG 17 23.655 -0.879 -1.039 643 1HB ARG 17 2HB ARG 17 23.126 -3.206 -1.732 644 2HB ARG 17 1HB ARG 17 22.073 -2.579 -2.978 645 1HG ARG 17 1HG ARG 17 24.637 -1.267 -3.128 646 2HG ARG 17 2HG ARG 17 24.857 -3.017 -3.158 647 1HD ARG 17 1HD ARG 17 22.714 -2.724 -4.834 648 2HD ARG 17 2HD ARG 17 23.607 -1.238 -5.161 649 HE ARG 17 HE ARG 17 25.606 -2.768 -5.596 650 1HH1 ARG 17 2HH2 ARG 17 24.734 -5.460 -5.035 651 2HH1 ARG 17 1HH2 ARG 17 23.512 -5.872 -6.190 652 1HH2 ARG 17 1HH1 ARG 17 24.653 -3.812 -8.285 653 2HH2 ARG 17 2HH1 ARG 17 22.981 -3.693 -7.849 654 HA PRO 18 HA PRO 18 21.981 2.735 -3.130 655 1HB PRO 18 2HB PRO 18 24.619 3.474 -3.979 656 2HB PRO 18 1HB PRO 18 23.663 4.188 -2.686 657 1HG PRO 18 2HG PRO 18 25.970 2.450 -2.446 658 2HG PRO 18 1HG PRO 18 25.062 3.247 -1.156 659 1HD PRO 18 1HD PRO 18 25.058 0.461 -1.810 660 2HD PRO 18 2HD PRO 18 24.060 1.280 -0.597 661 H LEU 19 H LEU 19 20.935 1.895 -4.907 662 HA LEU 19 HA LEU 19 22.056 0.354 -6.995 663 1HB LEU 19 2HB LEU 19 19.821 2.374 -7.247 664 2HB LEU 19 1HB LEU 19 20.104 1.018 -8.307 665 HG LEU 19 HG LEU 19 19.362 0.886 -5.379 666 1HD1 LEU 19 3HD1 LEU 19 17.637 1.445 -7.272 667 2HD1 LEU 19 1HD1 LEU 19 17.794 -0.267 -7.667 668 3HD1 LEU 19 2HD1 LEU 19 17.231 0.221 -6.068 669 1HD2 LEU 19 2HD2 LEU 19 20.622 -1.043 -7.167 670 2HD2 LEU 19 3HD2 LEU 19 20.357 -1.145 -5.427 671 3HD2 LEU 19 1HD2 LEU 19 19.082 -1.638 -6.543 672 HA PRO 20 HA PRO 20 24.761 3.510 -8.710 673 1HB PRO 20 1HB PRO 20 24.870 1.970 -11.175 674 2HB PRO 20 2HB PRO 20 26.146 2.217 -9.977 675 1HG PRO 20 1HG PRO 20 24.621 -0.174 -10.429 676 2HG PRO 20 2HG PRO 20 25.839 0.100 -9.179 677 1HD PRO 20 1HD PRO 20 22.981 -0.118 -8.847 678 2HD PRO 20 2HD PRO 20 24.203 0.165 -7.592 679 H ARG 21 H ARG 21 23.797 5.345 -9.469 680 HA ARG 21 HA ARG 21 21.295 5.570 -10.672 681 1HB ARG 21 2HB ARG 21 21.939 7.802 -11.352 682 2HB ARG 21 1HB ARG 21 22.658 7.472 -9.797 683 1HG ARG 21 1HG ARG 21 24.509 8.311 -10.900 684 2HG ARG 21 2HG ARG 21 24.674 6.602 -11.308 685 1HD ARG 21 2HD ARG 21 23.931 6.912 -13.483 686 2HD ARG 21 1HD ARG 21 22.982 8.336 -13.068 687 HE ARG 21 HE ARG 21 25.648 9.079 -12.652 688 1HH1 ARG 21 2HH2 ARG 21 23.611 10.101 -14.856 689 2HH1 ARG 21 1HH2 ARG 21 24.200 9.296 -16.272 690 1HH2 ARG 21 1HH1 ARG 21 27.232 8.944 -14.702 691 2HH2 ARG 21 2HH1 ARG 21 26.401 8.208 -16.032 692 H ALA 22 H ALA 22 24.300 4.627 -12.171 693 HA ALA 22 HA ALA 22 23.545 5.147 -14.892 694 1HB ALA 22 3HB ALA 22 25.882 4.562 -13.963 695 2HB ALA 22 1HB ALA 22 25.345 2.883 -14.022 696 3HB ALA 22 2HB ALA 22 25.427 3.835 -15.504 697 H HIS 23 H HIS 23 23.375 2.169 -12.916 698 HA HIS 23 HA HIS 23 22.037 0.648 -14.966 699 1HB HIS 23 1HB HIS 23 21.905 0.201 -11.972 700 2HB HIS 23 2HB HIS 23 21.625 -0.994 -13.238 701 HD2 HIS 23 HD2 HIS 23 24.646 0.975 -14.332 702 HE1 HIS 23 HE1 HIS 23 26.193 -2.231 -12.051 703 HE2 HIS 23 HE2 HIS 23 26.786 -0.362 -13.672 704 H ILE 24 H ILE 24 20.949 2.956 -12.577 705 HA ILE 24 HA ILE 24 18.156 2.095 -12.760 706 HB ILE 24 HB ILE 24 19.175 4.707 -11.664 707 1HG1 ILE 24 1HG1 ILE 24 18.869 2.048 -10.257 708 2HG1 ILE 24 2HG1 ILE 24 20.379 2.857 -10.584 709 1HG2 ILE 24 3HG2 ILE 24 16.633 3.124 -11.467 710 2HG2 ILE 24 1HG2 ILE 24 17.084 4.226 -10.167 711 3HG2 ILE 24 2HG2 ILE 24 16.847 4.841 -11.801 712 1HD1 ILE 24 3HD1 ILE 24 18.752 4.765 -9.294 713 2HD1 ILE 24 1HD1 ILE 24 18.553 3.261 -8.391 714 3HD1 ILE 24 2HD1 ILE 24 20.163 3.943 -8.626 715 H LYS 25 H LYS 25 16.467 3.688 -13.502 716 HA LYS 25 HA LYS 25 17.477 5.343 -15.781 717 1HB LYS 25 1HB LYS 25 15.391 3.234 -15.689 718 2HB LYS 25 2HB LYS 25 15.001 4.658 -16.622 719 1HG LYS 25 1HG LYS 25 17.664 3.300 -16.962 720 2HG LYS 25 2HG LYS 25 16.239 2.715 -17.824 721 1HD LYS 25 1HD LYS 25 15.972 4.753 -18.997 722 2HD LYS 25 2HD LYS 25 17.019 5.630 -17.882 723 1HE LYS 25 1HE LYS 25 17.999 3.373 -19.648 724 2HE LYS 25 2HE LYS 25 18.078 5.072 -20.117 725 1HZ LYS 25 1HZ LYS 25 19.310 5.462 -18.003 726 2HZ LYS 25 2HZ LYS 25 19.392 3.780 -17.794 727 3HZ LYS 25 3HZ LYS 25 20.141 4.507 -19.133 728 H GLU 26 H GLU 26 15.188 5.003 -13.139 729 HA GLU 26 HA GLU 26 14.725 7.866 -13.071 730 1HB GLU 26 1HB GLU 26 12.096 7.242 -13.168 731 2HB GLU 26 2HB GLU 26 12.993 7.723 -14.588 732 1HG GLU 26 1HG GLU 26 13.159 4.847 -14.025 733 2HG GLU 26 2HG GLU 26 11.538 5.403 -14.340 734 H TYR 27 H TYR 27 12.295 7.645 -11.452 735 HA TYR 27 HA TYR 27 12.822 5.647 -9.420 736 1HB TYR 27 1HB TYR 27 13.066 7.446 -7.617 737 2HB TYR 27 2HB TYR 27 14.469 7.235 -8.669 738 HD1 TYR 27 HD1 TYR 27 11.402 9.308 -8.119 739 HD2 TYR 27 HD2 TYR 27 15.235 9.006 -10.085 740 HE1 TYR 27 HE1 TYR 27 11.217 11.686 -8.849 741 HE2 TYR 27 HE2 TYR 27 15.050 11.383 -10.811 742 HH TYR 27 HH TYR 27 12.093 13.196 -10.453 743 H PHE 28 H PHE 28 11.209 6.380 -7.410 744 HA PHE 28 HA PHE 28 8.909 7.835 -8.411 745 1HB PHE 28 2HB PHE 28 8.486 5.785 -9.601 746 2HB PHE 28 1HB PHE 28 8.809 4.820 -8.164 747 HD1 PHE 28 HD1 PHE 28 6.430 7.263 -9.687 748 HD2 PHE 28 HD2 PHE 28 7.130 4.432 -6.504 749 HE1 PHE 28 HE1 PHE 28 4.032 7.417 -9.019 750 HE2 PHE 28 HE2 PHE 28 4.745 4.599 -5.825 751 HZ PHE 28 HZ PHE 28 3.186 6.085 -7.087 752 H TYR 29 H TYR 29 9.266 8.989 -6.393 753 HA TYR 29 HA TYR 29 9.367 7.738 -3.833 754 1HB TYR 29 1HB TYR 29 9.928 10.096 -4.113 755 2HB TYR 29 2HB TYR 29 8.281 10.454 -4.624 756 HD1 TYR 29 HD2 TYR 29 10.427 9.486 -1.759 757 HD2 TYR 29 HD1 TYR 29 6.449 10.579 -3.033 758 HE1 TYR 29 HE2 TYR 29 9.752 9.801 0.619 759 HE2 TYR 29 HE1 TYR 29 5.774 10.896 -0.656 760 HH TYR 29 HH TYR 29 7.277 11.494 1.621 761 H THR 30 H THR 30 7.804 6.862 -2.600 762 HA THR 30 HA THR 30 5.064 6.717 -3.732 763 HB THR 30 HB THR 30 5.969 4.585 -3.085 764 HG1 THR 30 HG1 THR 30 3.913 4.552 -2.475 765 1HG2 THR 30 2HG2 THR 30 6.698 6.057 -0.554 766 2HG2 THR 30 3HG2 THR 30 6.583 4.297 -0.584 767 3HG2 THR 30 1HG2 THR 30 7.746 5.122 -1.621 768 H SER 31 H SER 31 3.255 7.518 -2.639 769 HA SER 31 HA SER 31 3.690 9.706 -0.809 770 1HB SER 31 1HB SER 31 1.021 8.359 -1.104 771 2HB SER 31 2HB SER 31 1.391 10.078 -0.962 772 HG SER 31 HG SER 31 0.944 8.784 -3.153 773 H GLY 32 H GLY 32 1.507 9.230 1.024 774 1HA GLY 32 1HA GLY 32 2.887 7.327 2.852 775 2HA GLY 32 2HA GLY 32 1.778 8.601 3.360 776 H LYS 33 H LYS 33 0.948 6.652 0.603 777 HA LYS 33 HA LYS 33 -1.554 5.837 1.708 778 1HB LYS 33 1HB LYS 33 -0.013 4.493 -0.532 779 2HB LYS 33 2HB LYS 33 -1.751 4.416 -0.255 780 1HG LYS 33 2HG LYS 33 -1.343 7.122 -0.331 781 2HG LYS 33 1HG LYS 33 -0.132 6.556 -1.482 782 1HD LYS 33 1HD LYS 33 -1.860 6.543 -2.963 783 2HD LYS 33 2HD LYS 33 -2.303 5.028 -2.176 784 1HE LYS 33 1HE LYS 33 -4.293 6.264 -2.047 785 2HE LYS 33 2HE LYS 33 -3.553 6.574 -0.475 786 1HZ LYS 33 3HZ LYS 33 -2.822 8.362 -2.658 787 2HZ LYS 33 1HZ LYS 33 -4.401 8.507 -2.053 788 3HZ LYS 33 2HZ LYS 33 -3.073 8.701 -1.013 789 H CYS 34 H CYS 34 1.135 3.663 0.809 790 HA CYS 34 HA CYS 34 0.173 1.548 2.530 791 1HB CYS 34 2HB CYS 34 2.992 1.802 1.462 792 2HB CYS 34 1HB CYS 34 2.099 0.328 1.829 793 H SER 35 H SER 35 1.682 0.601 4.268 794 HA SER 35 HA SER 35 2.484 2.819 6.067 795 1HB SER 35 1HB SER 35 1.065 0.591 6.613 796 2HB SER 35 2HB SER 35 2.686 -0.016 6.949 797 HG SER 35 HG SER 35 2.418 0.957 8.783 798 H ASN 36 H ASN 36 4.158 2.340 3.820 799 HA ASN 36 HA ASN 36 6.688 1.742 5.216 800 1HB ASN 36 1HB ASN 36 5.467 0.001 3.151 801 2HB ASN 36 2HB ASN 36 7.160 0.370 2.930 802 1HD2 ASN 36 1HD2 ASN 36 7.934 -0.366 6.277 803 2HD2 ASN 36 2HD2 ASN 36 8.709 -0.796 4.830 804 HA PRO 37 HA PRO 37 6.689 5.355 2.294 805 1HB PRO 37 1HB PRO 37 8.726 6.443 4.055 806 2HB PRO 37 2HB PRO 37 7.109 7.078 3.729 807 1HG PRO 37 1HG PRO 37 8.024 5.766 6.121 808 2HG PRO 37 2HG PRO 37 6.392 6.349 5.771 809 1HD PRO 37 2HD PRO 37 7.305 3.617 5.898 810 2HD PRO 37 1HD PRO 37 5.670 4.200 5.535 811 H ALA 38 H ALA 38 8.271 5.625 0.675 812 HA ALA 38 HA ALA 38 11.039 4.894 1.051 813 1HB ALA 38 3HB ALA 38 9.600 2.648 0.879 814 2HB ALA 38 1HB ALA 38 9.673 3.000 -0.848 815 3HB ALA 38 2HB ALA 38 11.162 2.781 0.072 816 H VAL 39 H VAL 39 11.697 4.181 -1.503 817 HA VAL 39 HA VAL 39 10.496 6.158 -3.330 818 HB VAL 39 HB VAL 39 12.785 6.808 -1.911 819 1HG1 VAL 39 1HG1 VAL 39 13.941 5.017 -3.411 820 2HG1 VAL 39 2HG1 VAL 39 13.808 6.241 -4.674 821 3HG1 VAL 39 3HG1 VAL 39 14.718 6.587 -3.205 822 1HG2 VAL 39 3HG2 VAL 39 11.384 7.777 -4.304 823 2HG2 VAL 39 1HG2 VAL 39 11.877 8.649 -2.852 824 3HG2 VAL 39 2HG2 VAL 39 13.045 8.347 -4.139 825 H VAL 40 H VAL 40 10.444 5.232 -5.347 826 HA VAL 40 HA VAL 40 11.702 2.551 -5.428 827 HB VAL 40 HB VAL 40 9.171 3.592 -6.674 828 1HG1 VAL 40 1HG1 VAL 40 10.893 1.612 -7.771 829 2HG1 VAL 40 2HG1 VAL 40 9.559 0.759 -7.009 830 3HG1 VAL 40 3HG1 VAL 40 9.237 1.976 -8.239 831 1HG2 VAL 40 1HG2 VAL 40 9.500 2.738 -4.226 832 2HG2 VAL 40 2HG2 VAL 40 8.133 2.128 -5.163 833 3HG2 VAL 40 3HG2 VAL 40 9.593 1.148 -4.986 834 H PHE 41 H PHE 41 13.342 2.262 -6.703 835 HA PHE 41 HA PHE 41 13.840 4.170 -8.842 836 1HB PHE 41 2HB PHE 41 15.396 1.888 -7.649 837 2HB PHE 41 1HB PHE 41 15.897 2.605 -9.179 838 HD1 PHE 41 HD1 PHE 41 15.568 5.410 -8.998 839 HD2 PHE 41 HD2 PHE 41 16.641 2.662 -5.846 840 HE1 PHE 41 HE1 PHE 41 16.683 7.266 -7.760 841 HE2 PHE 41 HE2 PHE 41 17.753 4.515 -4.612 842 HZ PHE 41 HZ PHE 41 17.786 6.814 -5.569 843 H VAL 42 H VAL 42 13.495 3.862 -10.887 844 HA VAL 42 HA VAL 42 12.398 1.210 -11.721 845 HB VAL 42 HB VAL 42 11.934 3.081 -13.764 846 1HG1 VAL 42 3HG2 VAL 42 10.249 1.940 -11.539 847 2HG1 VAL 42 1HG2 VAL 42 9.552 2.840 -12.887 848 3HG1 VAL 42 2HG2 VAL 42 10.402 1.324 -13.188 849 1HG2 VAL 42 2HG1 VAL 42 12.405 4.910 -12.178 850 2HG2 VAL 42 3HG1 VAL 42 10.712 4.893 -12.650 851 3HG2 VAL 42 1HG1 VAL 42 11.199 4.262 -11.075 852 H THR 43 H THR 43 14.591 0.396 -11.965 853 HA THR 43 HA THR 43 16.566 1.778 -13.589 854 HB THR 43 HB THR 43 18.016 -0.030 -13.078 855 HG1 THR 43 HG1 THR 43 17.213 -2.023 -12.404 856 1HG2 THR 43 1HG2 THR 43 17.257 1.336 -11.110 857 2HG2 THR 43 2HG2 THR 43 16.061 0.089 -10.765 858 3HG2 THR 43 3HG2 THR 43 17.779 -0.291 -10.682 859 H ARG 44 H ARG 44 17.766 -0.275 -14.995 860 HA ARG 44 HA ARG 44 16.630 -0.064 -17.512 861 1HB ARG 44 2HB ARG 44 17.867 -2.291 -18.001 862 2HB ARG 44 1HB ARG 44 18.816 -0.917 -17.497 863 1HG ARG 44 1HG ARG 44 18.021 -2.193 -15.109 864 2HG ARG 44 2HG ARG 44 18.514 -3.480 -16.204 865 1HD ARG 44 1HD ARG 44 20.555 -1.889 -16.690 866 2HD ARG 44 2HD ARG 44 20.124 -1.185 -15.130 867 HE ARG 44 HE ARG 44 20.198 -3.909 -14.628 868 1HH1 ARG 44 1HH1 ARG 44 22.289 -2.747 -16.916 869 2HH1 ARG 44 2HH1 ARG 44 23.736 -3.144 -16.051 870 1HH2 ARG 44 2HH2 ARG 44 22.196 -3.333 -13.003 871 2HH2 ARG 44 1HH2 ARG 44 23.532 -3.995 -13.885 872 H LYS 45 H LYS 45 16.332 -3.038 -15.488 873 HA LYS 45 HA LYS 45 14.253 -4.211 -17.061 874 1HB LYS 45 1HB LYS 45 14.991 -4.444 -14.143 875 2HB LYS 45 2HB LYS 45 13.607 -5.287 -14.792 876 1HG LYS 45 1HG LYS 45 15.280 -6.104 -16.630 877 2HG LYS 45 2HG LYS 45 16.514 -5.655 -15.451 878 1HD LYS 45 1HD LYS 45 16.161 -7.814 -14.748 879 2HD LYS 45 2HD LYS 45 14.869 -7.040 -13.833 880 1HE LYS 45 1HE LYS 45 13.215 -7.881 -15.196 881 2HE LYS 45 2HE LYS 45 14.243 -7.863 -16.629 882 1HZ LYS 45 1HZ LYS 45 14.585 -9.751 -14.366 883 2HZ LYS 45 2HZ LYS 45 13.728 -10.117 -15.787 884 3HZ LYS 45 3HZ LYS 45 15.393 -9.785 -15.860 885 H ASN 46 H ASN 46 14.373 -1.737 -14.642 886 HA ASN 46 HA ASN 46 12.911 -0.082 -14.034 887 1HB ASN 46 2HB ASN 46 12.029 -0.948 -16.681 888 2HB ASN 46 1HB ASN 46 10.671 -0.432 -15.716 889 1HD2 ASN 46 1HD2 ASN 46 12.363 2.121 -17.761 890 2HD2 ASN 46 2HD2 ASN 46 10.757 1.737 -17.370 891 H ARG 47 H ARG 47 12.463 -3.141 -13.315 892 HA ARG 47 HA ARG 47 9.682 -3.279 -12.558 893 1HB ARG 47 1HB ARG 47 12.061 -4.354 -10.995 894 2HB ARG 47 2HB ARG 47 10.389 -4.899 -10.864 895 1HG ARG 47 1HG ARG 47 11.699 -4.982 -13.555 896 2HG ARG 47 2HG ARG 47 12.144 -6.213 -12.373 897 1HD ARG 47 1HD ARG 47 9.338 -6.009 -12.224 898 2HD ARG 47 2HD ARG 47 9.719 -5.988 -13.946 899 HE ARG 47 HE ARG 47 11.156 -8.074 -12.511 900 1HH1 ARG 47 2HH1 ARG 47 8.557 -7.601 -14.947 901 2HH1 ARG 47 1HH1 ARG 47 9.319 -9.098 -15.369 902 1HH2 ARG 47 1HH2 ARG 47 8.206 -9.382 -12.135 903 2HH2 ARG 47 2HH2 ARG 47 9.414 -10.444 -12.776 904 H GLN 48 H GLN 48 8.761 -2.375 -10.522 905 HA GLN 48 HA GLN 48 10.178 0.052 -9.868 906 1HB GLN 48 1HB GLN 48 7.505 -1.054 -9.250 907 2HB GLN 48 2HB GLN 48 8.151 0.142 -8.124 908 1HG GLN 48 2HG GLN 48 8.558 1.695 -9.958 909 2HG GLN 48 1HG GLN 48 8.109 0.497 -11.133 910 1HE2 GLN 48 1HE2 GLN 48 5.224 1.831 -8.560 911 2HE2 GLN 48 2HE2 GLN 48 6.647 2.747 -8.686 912 H VAL 49 H VAL 49 12.016 -0.607 -9.029 913 HA VAL 49 HA VAL 49 12.246 -2.475 -6.844 914 HB VAL 49 HB VAL 49 14.494 -0.642 -7.344 915 1HG1 VAL 49 3HG1 VAL 49 14.090 -3.629 -7.238 916 2HG1 VAL 49 1HG1 VAL 49 15.662 -2.867 -7.491 917 3HG1 VAL 49 2HG1 VAL 49 14.786 -2.601 -5.982 918 1HG2 VAL 49 3HG2 VAL 49 13.163 -2.098 -9.586 919 2HG2 VAL 49 1HG2 VAL 49 14.206 -0.684 -9.659 920 3HG2 VAL 49 2HG2 VAL 49 14.908 -2.286 -9.478 921 H CYS 50 H CYS 50 13.519 -1.690 -4.822 922 HA CYS 50 HA CYS 50 12.233 0.817 -3.848 923 1HB CYS 50 2HB CYS 50 12.165 -1.743 -2.817 924 2HB CYS 50 1HB CYS 50 13.487 -1.047 -1.931 925 H ALA 51 H ALA 51 13.826 1.129 -1.590 926 HA ALA 51 HA ALA 51 16.557 0.929 -1.628 927 1HB ALA 51 2HB ALA 51 15.663 3.102 -3.514 928 2HB ALA 51 3HB ALA 51 17.205 3.215 -2.673 929 3HB ALA 51 1HB ALA 51 16.899 1.868 -3.760 930 H ASN 52 H ASN 52 14.035 1.885 -0.064 931 HA ASN 52 HA ASN 52 13.744 3.089 1.900 932 1HB ASN 52 1HB ASN 52 16.092 2.192 2.288 933 2HB ASN 52 2HB ASN 52 16.678 3.740 1.678 934 1HD2 ASN 52 1HD2 ASN 52 15.204 3.024 5.296 935 2HD2 ASN 52 2HD2 ASN 52 13.933 3.039 4.171 936 HA PRO 53 HA PRO 53 13.310 7.147 0.183 937 1HB PRO 53 1HB PRO 53 12.071 8.289 2.398 938 2HB PRO 53 2HB PRO 53 11.244 7.345 1.174 939 1HG PRO 53 2HG PRO 53 11.872 6.610 3.948 940 2HG PRO 53 1HG PRO 53 10.755 5.846 2.839 941 1HD PRO 53 1HD PRO 53 13.373 4.932 3.573 942 2HD PRO 53 2HD PRO 53 12.266 4.193 2.424 943 H GLU 54 H GLU 54 14.739 6.680 3.409 944 HA GLU 54 HA GLU 54 16.121 9.315 3.084 945 1HB GLU 54 1HB GLU 54 15.078 7.882 5.517 946 2HB GLU 54 2HB GLU 54 16.331 9.114 5.660 947 1HG GLU 54 1HG GLU 54 14.870 10.802 5.251 948 2HG GLU 54 2HG GLU 54 14.090 9.919 3.939 949 H LYS 55 H LYS 55 17.252 6.897 1.991 950 HA LYS 55 HA LYS 55 19.386 6.124 3.888 951 1HB LYS 55 2HB LYS 55 18.156 4.850 1.705 952 2HB LYS 55 1HB LYS 55 19.795 5.153 1.200 953 1HG LYS 55 1HG LYS 55 19.690 2.992 2.336 954 2HG LYS 55 2HG LYS 55 20.613 4.129 3.319 955 1HD LYS 55 1HD LYS 55 18.216 4.631 4.359 956 2HD LYS 55 2HD LYS 55 17.883 2.998 3.783 957 1HE LYS 55 1HE LYS 55 18.992 2.146 5.546 958 2HE LYS 55 2HE LYS 55 20.454 2.992 5.038 959 1HZ LYS 55 3HZ LYS 55 18.364 4.532 6.393 960 2HZ LYS 55 1HZ LYS 55 19.323 3.492 7.333 961 3HZ LYS 55 2HZ LYS 55 20.051 4.730 6.426 962 H LYS 56 H LYS 56 19.140 8.905 2.658 963 HA LYS 56 HA LYS 56 20.612 10.543 1.890 964 1HB LYS 56 1HB LYS 56 22.632 8.368 2.500 965 2HB LYS 56 2HB LYS 56 23.059 10.021 2.064 966 1HG LYS 56 1HG LYS 56 21.998 10.904 4.019 967 2HG LYS 56 2HG LYS 56 21.211 9.364 4.370 968 1HD LYS 56 1HD LYS 56 23.067 8.511 5.368 969 2HD LYS 56 2HD LYS 56 24.146 9.196 4.153 970 1HE LYS 56 1HE LYS 56 24.765 10.590 5.851 971 2HE LYS 56 2HE LYS 56 23.296 11.461 5.413 972 1HZ LYS 56 3HZ LYS 56 22.098 10.048 7.032 973 2HZ LYS 56 1HZ LYS 56 23.587 9.397 7.523 974 3HZ LYS 56 2HZ LYS 56 23.268 11.050 7.746 975 H TRP 57 H TRP 57 22.649 7.953 0.616 976 HA TRP 57 HA TRP 57 23.032 8.946 -1.922 977 1HB TRP 57 1HB TRP 57 23.583 6.695 -2.633 978 2HB TRP 57 2HB TRP 57 24.150 6.931 -0.976 979 HD1 TRP 57 HD1 TRP 57 23.252 5.223 0.759 980 HE1 TRP 57 HE1 TRP 57 21.569 3.270 0.621 981 HE3 TRP 57 HE3 TRP 57 21.367 6.113 -3.846 982 HZ2 TRP 57 HZ2 TRP 57 19.649 2.211 -1.273 983 HZ3 TRP 57 HZ3 TRP 57 19.715 4.614 -4.865 984 HH2 TRP 57 HH2 TRP 57 18.848 2.656 -3.593 985 H VAL 58 H VAL 58 20.100 7.396 -0.802 986 HA VAL 58 HA VAL 58 18.984 6.849 -3.393 987 HB VAL 58 HB VAL 58 16.731 7.320 -2.058 988 1HG1 VAL 58 3HG1 VAL 58 18.031 5.140 -2.818 989 2HG1 VAL 58 1HG1 VAL 58 18.226 4.955 -1.076 990 3HG1 VAL 58 2HG1 VAL 58 16.612 5.065 -1.784 991 1HG2 VAL 58 2HG2 VAL 58 18.460 8.148 -0.166 992 2HG2 VAL 58 3HG2 VAL 58 16.855 7.503 0.173 993 3HG2 VAL 58 1HG2 VAL 58 18.267 6.454 0.278 994 H ARG 59 H ARG 59 18.470 9.681 -1.240 995 HA ARG 59 HA ARG 59 16.901 11.120 -3.161 996 1HB ARG 59 1HB ARG 59 18.557 12.080 -0.814 997 2HB ARG 59 2HB ARG 59 17.501 13.117 -1.743 998 1HG ARG 59 1HG ARG 59 15.775 11.123 -1.215 999 2HG ARG 59 2HG ARG 59 16.810 10.967 0.184 1000 1HD ARG 59 1HD ARG 59 16.291 13.096 0.982 1001 2HD ARG 59 2HD ARG 59 15.834 13.687 -0.616 1002 HE ARG 59 HE ARG 59 13.805 12.110 -0.353 1003 1HH1 ARG 59 2HH2 ARG 59 15.101 13.790 2.708 1004 2HH1 ARG 59 1HH2 ARG 59 13.693 14.649 2.181 1005 1HH2 ARG 59 1HH1 ARG 59 12.581 11.225 1.475 1006 2HH2 ARG 59 2HH1 ARG 59 12.650 12.097 2.971 1007 H GLU 60 H GLU 60 20.363 11.022 -2.437 1008 HA GLU 60 HA GLU 60 21.106 13.116 -4.288 1009 1HB GLU 60 1HB GLU 60 22.581 10.881 -2.911 1010 2HB GLU 60 2HB GLU 60 23.379 11.821 -4.171 1011 1HG GLU 60 2HG GLU 60 22.390 13.856 -2.763 1012 2HG GLU 60 1HG GLU 60 22.448 12.684 -1.468 1013 H TYR 61 H TYR 61 20.008 9.921 -4.686 1014 HA TYR 61 HA TYR 61 21.245 9.598 -7.352 1015 1HB TYR 61 2HB TYR 61 19.772 7.822 -5.430 1016 2HB TYR 61 1HB TYR 61 19.831 7.375 -7.106 1017 HD1 TYR 61 HD1 TYR 61 22.571 9.275 -5.486 1018 HD2 TYR 61 HD2 TYR 61 21.210 5.372 -6.740 1019 HE1 TYR 61 HE1 TYR 61 24.833 8.341 -5.032 1020 HE2 TYR 61 HE2 TYR 61 23.477 4.441 -6.275 1021 HH TYR 61 HH TYR 61 25.828 5.302 -6.149 1022 H ILE 62 H ILE 62 18.268 10.461 -5.775 1023 HA ILE 62 HA ILE 62 16.446 9.954 -7.927 1024 HB ILE 62 HB ILE 62 16.427 11.922 -5.621 1025 1HG1 ILE 62 2HG1 ILE 62 16.233 9.470 -5.146 1026 2HG1 ILE 62 1HG1 ILE 62 14.831 10.381 -4.653 1027 1HG2 ILE 62 1HG2 ILE 62 14.522 11.589 -7.895 1028 2HG2 ILE 62 2HG2 ILE 62 13.849 11.862 -6.288 1029 3HG2 ILE 62 3HG2 ILE 62 14.953 13.042 -6.995 1030 1HD1 ILE 62 2HD1 ILE 62 13.698 9.743 -6.773 1031 2HD1 ILE 62 3HD1 ILE 62 15.103 8.769 -7.204 1032 3HD1 ILE 62 1HD1 ILE 62 14.128 8.337 -5.800 1033 H ASN 63 H ASN 63 18.307 12.869 -7.018 1034 HA ASN 63 HA ASN 63 17.387 14.363 -9.340 1035 1HB ASN 63 1HB ASN 63 19.210 14.818 -7.062 1036 2HB ASN 63 2HB ASN 63 19.645 15.664 -8.527 1037 1HD2 ASN 63 2HD2 ASN 63 17.921 18.179 -7.980 1038 2HD2 ASN 63 1HD2 ASN 63 18.432 17.587 -6.474 1039 H SER 64 H SER 64 20.284 12.489 -8.516 1040 HA SER 64 HA SER 64 21.906 13.171 -10.724 1041 1HB SER 64 2HB SER 64 22.581 11.718 -8.780 1042 2HB SER 64 1HB SER 64 21.653 10.406 -9.506 1043 HG SER 64 HG SER 64 24.066 11.521 -10.268 1044 H LEU 65 H LEU 65 19.150 10.976 -10.518 1045 HA LEU 65 HA LEU 65 19.527 9.727 -13.080 1046 1HB LEU 65 2HB LEU 65 17.133 10.117 -11.290 1047 2HB LEU 65 1HB LEU 65 16.982 9.343 -12.850 1048 HG LEU 65 HG LEU 65 18.924 8.464 -10.700 1049 1HD1 LEU 65 2HD1 LEU 65 16.107 7.661 -11.354 1050 2HD1 LEU 65 3HD1 LEU 65 17.233 6.441 -10.761 1051 3HD1 LEU 65 1HD1 LEU 65 16.872 7.857 -9.777 1052 1HD2 LEU 65 2HD2 LEU 65 18.506 7.789 -13.511 1053 2HD2 LEU 65 3HD2 LEU 65 19.852 7.373 -12.450 1054 3HD2 LEU 65 1HD2 LEU 65 18.399 6.374 -12.464 1055 H GLU 66 H GLU 66 17.336 10.110 -14.612 1056 HA GLU 66 HA GLU 66 17.304 13.051 -15.166 1057 1HB GLU 66 1HB GLU 66 17.500 10.751 -17.132 1058 2HB GLU 66 2HB GLU 66 17.165 12.417 -17.603 1059 1HG GLU 66 1HG GLU 66 19.354 12.769 -16.012 1060 2HG GLU 66 2HG GLU 66 19.699 11.184 -16.703 1061 H MET 67 H MET 67 15.308 13.875 -15.948 1062 HA MET 67 HA MET 67 13.004 12.003 -15.591 1063 1HB MET 67 1HB MET 67 13.295 14.103 -14.091 1064 2HB MET 67 2HB MET 67 12.810 15.012 -15.523 1065 1HG MET 67 1HG MET 67 10.888 13.117 -15.536 1066 2HG MET 67 2HG MET 67 11.211 13.184 -13.803 1067 1HE MET 67 2HE MET 67 11.640 15.098 -12.617 1068 2HE MET 67 1HE MET 67 11.800 16.683 -13.372 1069 3HE MET 67 3HE MET 67 10.349 16.287 -12.451 1070 H SER 68 H SER 68 14.093 11.749 -18.030 1071 HA SER 68 HA SER 68 11.997 12.582 -19.808 1072 1HB SER 68 1HB SER 68 14.195 14.435 -19.443 1073 2HB SER 68 2HB SER 68 14.148 13.852 -21.106 1074 HG SER 68 HG SER 68 12.009 14.491 -21.241 No H/Q in entry = 1074 Start of MODEL 13 1 H SER 1 H SER 1 18.765 -16.860 1.816 2 HA SER 1 HA SER 1 20.417 -15.685 -0.280 3 1HB SER 1 1HB SER 1 17.641 -16.784 -0.091 4 2HB SER 1 2HB SER 1 18.022 -15.714 -1.440 5 HG SER 1 HG SER 1 18.851 -18.277 -0.930 6 HA PRO 2 HA PRO 2 19.419 -11.442 0.103 7 1HB PRO 2 1HB PRO 2 18.616 -11.022 -2.636 8 2HB PRO 2 2HB PRO 2 20.172 -10.636 -1.891 9 1HG PRO 2 1HG PRO 2 19.585 -12.758 -3.757 10 2HG PRO 2 2HG PRO 2 21.140 -12.370 -3.014 11 1HD PRO 2 1HD PRO 2 19.410 -14.605 -2.436 12 2HD PRO 2 2HD PRO 2 20.972 -14.216 -1.690 13 H TYR 3 H TYR 3 17.539 -9.818 -0.861 14 HA TYR 3 HA TYR 3 14.953 -11.300 -0.611 15 1HB TYR 3 1HB TYR 3 15.658 -8.612 0.608 16 2HB TYR 3 2HB TYR 3 14.076 -9.387 0.688 17 HD1 TYR 3 HD2 TYR 3 14.198 -11.972 1.503 18 HD2 TYR 3 HD1 TYR 3 17.078 -8.895 2.443 19 HE1 TYR 3 HE2 TYR 3 14.934 -13.272 3.499 20 HE2 TYR 3 HE1 TYR 3 17.813 -10.195 4.440 21 HH TYR 3 HH TYR 3 17.768 -12.380 5.336 22 H SER 4 H SER 4 13.147 -10.261 -1.712 23 HA SER 4 HA SER 4 14.040 -8.798 -4.119 24 1HB SER 4 1HB SER 4 12.144 -10.753 -3.724 25 2HB SER 4 2HB SER 4 11.156 -9.293 -3.781 26 HG SER 4 HG SER 4 12.225 -8.765 -5.745 27 H SER 5 H SER 5 14.260 -6.625 -3.781 28 HA SER 5 HA SER 5 12.163 -5.245 -2.162 29 1HB SER 5 1HB SER 5 14.860 -4.159 -3.016 30 2HB SER 5 2HB SER 5 13.764 -3.473 -1.818 31 HG SER 5 HG SER 5 15.214 -5.897 -1.677 32 H ASP 6 H ASP 6 10.580 -4.483 -3.497 33 HA ASP 6 HA ASP 6 11.232 -2.580 -5.590 34 1HB ASP 6 1HB ASP 6 10.388 -3.847 -7.489 35 2HB ASP 6 2HB ASP 6 11.687 -4.765 -6.736 36 H THR 7 H THR 7 8.675 -3.135 -7.018 37 HA THR 7 HA THR 7 7.006 -1.646 -5.187 38 HB THR 7 HB THR 7 6.966 -1.261 -7.642 39 HG1 THR 7 HG1 THR 7 5.136 -0.680 -6.537 40 1HG2 THR 7 1HG2 THR 7 7.176 -3.830 -8.054 41 2HG2 THR 7 2HG2 THR 7 5.418 -3.830 -7.914 42 3HG2 THR 7 3HG2 THR 7 6.202 -2.872 -9.170 43 H THR 8 H THR 8 4.581 -2.461 -5.037 44 HA THR 8 HA THR 8 4.318 -5.373 -4.807 45 HB THR 8 HB THR 8 3.598 -4.114 -2.258 46 HG1 THR 8 HG1 THR 8 5.557 -3.534 -1.631 47 1HG2 THR 8 2HG2 THR 8 5.122 -6.540 -3.207 48 2HG2 THR 8 3HG2 THR 8 5.051 -6.112 -1.496 49 3HG2 THR 8 1HG2 THR 8 3.568 -6.477 -2.377 50 HA PRO 9 HA PRO 9 0.413 -3.492 -6.114 51 1HB PRO 9 1HB PRO 9 -0.544 -6.212 -6.438 52 2HB PRO 9 2HB PRO 9 -0.187 -5.023 -7.696 53 1HG PRO 9 2HG PRO 9 1.358 -7.354 -6.995 54 2HG PRO 9 1HG PRO 9 1.740 -6.142 -8.219 55 1HD PRO 9 2HD PRO 9 3.028 -6.547 -5.705 56 2HD PRO 9 1HD PRO 9 3.386 -5.326 -6.915 57 H CYS 10 H CYS 10 -0.040 -2.834 -3.900 58 HA CYS 10 HA CYS 10 -1.764 -4.793 -2.460 59 1HB CYS 10 1HB CYS 10 0.469 -3.106 -1.340 60 2HB CYS 10 2HB CYS 10 -0.813 -3.715 -0.324 61 H CYS 11 H CYS 11 -3.406 -3.851 -1.176 62 HA CYS 11 HA CYS 11 -4.175 -1.176 -2.160 63 1HB CYS 11 1HB CYS 11 -6.112 -2.290 -2.435 64 2HB CYS 11 2HB CYS 11 -5.591 -3.619 -1.447 65 H PHE 12 H PHE 12 -4.553 0.561 -0.690 66 HA PHE 12 HA PHE 12 -3.308 0.156 1.976 67 1HB PHE 12 1HB PHE 12 -3.064 2.561 2.062 68 2HB PHE 12 2HB PHE 12 -2.505 2.020 0.501 69 HD1 PHE 12 HD2 PHE 12 -3.807 2.457 -1.554 70 HD2 PHE 12 HD1 PHE 12 -5.147 3.838 2.311 71 HE1 PHE 12 HE2 PHE 12 -5.428 3.989 -2.665 72 HE2 PHE 12 HE1 PHE 12 -6.770 5.370 1.201 73 HZ PHE 12 HZ PHE 12 -6.912 5.444 -1.286 74 H ALA 13 H ALA 13 -6.266 1.538 0.527 75 HA ALA 13 HA ALA 13 -7.611 1.062 3.151 76 1HB ALA 13 2HB ALA 13 -7.178 3.502 2.762 77 2HB ALA 13 3HB ALA 13 -8.144 3.395 1.291 78 3HB ALA 13 1HB ALA 13 -8.895 3.109 2.861 79 H TYR 14 H TYR 14 -9.638 0.145 3.023 80 HA TYR 14 HA TYR 14 -10.480 -0.544 0.268 81 1HB TYR 14 1HB TYR 14 -11.870 -2.337 1.747 82 2HB TYR 14 2HB TYR 14 -10.271 -2.658 1.091 83 HD1 TYR 14 HD1 TYR 14 -8.212 -2.081 2.557 84 HD2 TYR 14 HD2 TYR 14 -12.248 -2.359 4.064 85 HE1 TYR 14 HE1 TYR 14 -7.332 -2.232 4.876 86 HE2 TYR 14 HE2 TYR 14 -11.364 -2.521 6.392 87 HH TYR 14 HH TYR 14 -7.907 -2.842 7.032 88 H ILE 15 H ILE 15 -12.583 -0.152 -0.380 89 HA ILE 15 HA ILE 15 -14.080 1.833 1.099 90 HB ILE 15 HB ILE 15 -14.142 1.767 -1.353 91 1HG1 ILE 15 2HG1 ILE 15 -16.873 0.937 -0.353 92 2HG1 ILE 15 1HG1 ILE 15 -16.171 2.510 0.023 93 1HG2 ILE 15 1HG2 ILE 15 -15.118 -1.025 -0.819 94 2HG2 ILE 15 2HG2 ILE 15 -15.610 -0.197 -2.297 95 3HG2 ILE 15 3HG2 ILE 15 -13.900 -0.475 -1.969 96 1HD1 ILE 15 1HD1 ILE 15 -15.824 2.799 -2.494 97 2HD1 ILE 15 2HD1 ILE 15 -16.860 1.386 -2.701 98 3HD1 ILE 15 3HD1 ILE 15 -17.498 2.842 -1.938 99 H ALA 16 H ALA 16 -16.406 1.471 1.723 100 HA ALA 16 HA ALA 16 -16.716 -1.238 2.939 101 1HB ALA 16 3HB ALA 16 -16.789 1.213 4.170 102 2HB ALA 16 1HB ALA 16 -18.500 0.927 3.854 103 3HB ALA 16 2HB ALA 16 -17.571 -0.239 4.797 104 H ARG 17 H ARG 17 -17.766 -2.286 1.206 105 HA ARG 17 HA ARG 17 -20.552 -2.107 0.979 106 1HB ARG 17 1HB ARG 17 -19.213 -0.024 -0.485 107 2HB ARG 17 2HB ARG 17 -20.014 -1.099 -1.607 108 1HG ARG 17 1HG ARG 17 -21.955 -0.879 0.263 109 2HG ARG 17 2HG ARG 17 -21.178 0.693 0.451 110 1HD ARG 17 1HD ARG 17 -21.308 0.822 -2.141 111 2HD ARG 17 2HD ARG 17 -22.492 -0.477 -1.997 112 HE ARG 17 HE ARG 17 -23.371 1.436 -0.191 113 1HH1 ARG 17 1HH1 ARG 17 -22.831 3.890 -1.560 114 2HH1 ARG 17 2HH1 ARG 17 -22.943 3.557 -3.255 115 1HH2 ARG 17 2HH2 ARG 17 -25.551 1.667 -2.245 116 2HH2 ARG 17 1HH2 ARG 17 -24.577 1.426 -3.656 117 HA PRO 18 HA PRO 18 -18.905 -5.897 -0.834 118 1HB PRO 18 2HB PRO 18 -21.578 -6.872 -1.181 119 2HB PRO 18 1HB PRO 18 -20.406 -7.355 0.041 120 1HG PRO 18 1HG PRO 18 -22.759 -5.700 0.389 121 2HG PRO 18 2HG PRO 18 -21.664 -6.291 1.618 122 1HD PRO 18 2HD PRO 18 -21.897 -3.620 0.663 123 2HD PRO 18 1HD PRO 18 -20.697 -4.235 1.789 124 H LEU 19 H LEU 19 -18.202 -5.168 -2.835 125 HA LEU 19 HA LEU 19 -19.666 -3.931 -4.871 126 1HB LEU 19 2HB LEU 19 -17.469 -5.977 -5.232 127 2HB LEU 19 1HB LEU 19 -17.961 -4.794 -6.416 128 HG LEU 19 HG LEU 19 -16.756 -4.221 -3.700 129 1HD1 LEU 19 1HD1 LEU 19 -15.217 -5.034 -5.525 130 2HD1 LEU 19 2HD1 LEU 19 -15.696 -3.628 -6.475 131 3HD1 LEU 19 3HD1 LEU 19 -14.849 -3.411 -4.943 132 1HD2 LEU 19 2HD2 LEU 19 -18.242 -2.555 -5.641 133 2HD2 LEU 19 3HD2 LEU 19 -17.976 -2.305 -3.915 134 3HD2 LEU 19 1HD2 LEU 19 -16.721 -1.864 -5.074 135 HA PRO 20 HA PRO 20 -22.588 -7.207 -5.819 136 1HB PRO 20 1HB PRO 20 -23.150 -5.897 -8.351 137 2HB PRO 20 2HB PRO 20 -24.185 -6.015 -6.923 138 1HG PRO 20 1HG PRO 20 -22.806 -3.691 -7.869 139 2HG PRO 20 2HG PRO 20 -23.732 -3.845 -6.373 140 1HD PRO 20 1HD PRO 20 -20.856 -3.659 -6.691 141 2HD PRO 20 2HD PRO 20 -21.792 -3.728 -5.185 142 H ARG 21 H ARG 21 -22.522 -9.031 -7.214 143 HA ARG 21 HA ARG 21 -20.000 -9.568 -8.495 144 1HB ARG 21 2HB ARG 21 -21.654 -11.259 -7.489 145 2HB ARG 21 1HB ARG 21 -22.565 -11.093 -8.989 146 1HG ARG 21 1HG ARG 21 -19.624 -11.632 -9.146 147 2HG ARG 21 2HG ARG 21 -20.694 -12.954 -8.750 148 1HD ARG 21 1HD ARG 21 -22.019 -11.797 -10.849 149 2HD ARG 21 2HD ARG 21 -20.353 -11.530 -11.300 150 HE ARG 21 HE ARG 21 -20.487 -14.214 -10.518 151 1HH1 ARG 21 1HH1 ARG 21 -20.625 -12.310 -13.247 152 2HH1 ARG 21 2HH1 ARG 21 -21.188 -13.591 -14.267 153 1HH2 ARG 21 1HH2 ARG 21 -21.778 -15.846 -11.945 154 2HH2 ARG 21 2HH2 ARG 21 -22.868 -14.994 -12.987 155 H ALA 22 H ALA 22 -22.995 -8.195 -9.634 156 HA ALA 22 HA ALA 22 -22.400 -8.711 -12.442 157 1HB ALA 22 2HB ALA 22 -24.467 -7.049 -11.002 158 2HB ALA 22 3HB ALA 22 -24.287 -6.968 -12.755 159 3HB ALA 22 1HB ALA 22 -24.713 -8.495 -11.982 160 H HIS 23 H HIS 23 -21.279 -6.448 -10.160 161 HA HIS 23 HA HIS 23 -20.623 -4.486 -12.304 162 1HB HIS 23 2HB HIS 23 -20.247 -4.252 -9.303 163 2HB HIS 23 1HB HIS 23 -20.020 -2.969 -10.487 164 HD2 HIS 23 HD2 HIS 23 -23.200 -5.366 -10.299 165 HE1 HIS 23 HE1 HIS 23 -24.441 -1.354 -9.814 166 HE2 HIS 23 HE2 HIS 23 -25.237 -3.760 -10.041 167 H ILE 24 H ILE 24 -19.220 -6.930 -10.238 168 HA ILE 24 HA ILE 24 -16.494 -5.932 -10.775 169 HB ILE 24 HB ILE 24 -17.244 -8.510 -9.420 170 1HG1 ILE 24 1HG1 ILE 24 -16.644 -5.833 -8.156 171 2HG1 ILE 24 2HG1 ILE 24 -18.213 -6.581 -8.213 172 1HG2 ILE 24 3HG2 ILE 24 -14.730 -6.898 -9.734 173 2HG2 ILE 24 1HG2 ILE 24 -14.923 -7.999 -8.370 174 3HG2 ILE 24 2HG2 ILE 24 -14.980 -8.621 -10.020 175 1HD1 ILE 24 1HD1 ILE 24 -16.375 -8.504 -7.195 176 2HD1 ILE 24 2HD1 ILE 24 -16.152 -6.998 -6.302 177 3HD1 ILE 24 3HD1 ILE 24 -17.742 -7.759 -6.367 178 H LYS 25 H LYS 25 -14.881 -7.357 -11.793 179 HA LYS 25 HA LYS 25 -16.138 -9.219 -13.777 180 1HB LYS 25 1HB LYS 25 -13.806 -7.317 -14.060 181 2HB LYS 25 2HB LYS 25 -14.074 -8.647 -15.187 182 1HG LYS 25 1HG LYS 25 -16.430 -6.934 -14.586 183 2HG LYS 25 2HG LYS 25 -15.148 -6.192 -15.544 184 1HD LYS 25 1HD LYS 25 -15.249 -8.444 -16.901 185 2HD LYS 25 2HD LYS 25 -16.857 -8.579 -16.191 186 1HE LYS 25 1HE LYS 25 -17.261 -7.419 -18.198 187 2HE LYS 25 2HE LYS 25 -17.169 -6.124 -17.005 188 1HZ LYS 25 3HZ LYS 25 -14.792 -7.037 -18.510 189 2HZ LYS 25 1HZ LYS 25 -15.832 -5.839 -19.119 190 3HZ LYS 25 2HZ LYS 25 -15.007 -5.584 -17.657 191 H GLU 26 H GLU 26 -13.594 -8.703 -11.435 192 HA GLU 26 HA GLU 26 -13.083 -11.543 -11.203 193 1HB GLU 26 1HB GLU 26 -10.498 -10.987 -11.662 194 2HB GLU 26 2HB GLU 26 -11.563 -11.501 -12.952 195 1HG GLU 26 1HG GLU 26 -11.602 -8.603 -12.493 196 2HG GLU 26 2HG GLU 26 -10.043 -9.211 -12.983 197 H TYR 27 H TYR 27 -10.511 -11.219 -9.866 198 HA TYR 27 HA TYR 27 -10.727 -9.004 -8.046 199 1HB TYR 27 2HB TYR 27 -11.476 -10.078 -6.097 200 2HB TYR 27 1HB TYR 27 -12.482 -10.816 -7.333 201 HD1 TYR 27 HD1 TYR 27 -11.770 -13.050 -8.359 202 HD2 TYR 27 HD2 TYR 27 -9.987 -11.431 -4.774 203 HE1 TYR 27 HE1 TYR 27 -10.860 -15.301 -7.795 204 HE2 TYR 27 HE2 TYR 27 -9.082 -13.685 -4.208 205 HH TYR 27 HH TYR 27 -10.019 -16.550 -5.988 206 H PHE 28 H PHE 28 -9.008 -9.677 -6.054 207 HA PHE 28 HA PHE 28 -6.910 -11.400 -7.058 208 1HB PHE 28 2HB PHE 28 -6.507 -9.556 -8.562 209 2HB PHE 28 1HB PHE 28 -6.584 -8.394 -7.239 210 HD1 PHE 28 HD1 PHE 28 -4.602 -11.239 -8.638 211 HD2 PHE 28 HD2 PHE 28 -4.674 -7.909 -5.892 212 HE1 PHE 28 HE1 PHE 28 -2.148 -11.484 -8.277 213 HE2 PHE 28 HE2 PHE 28 -2.224 -8.160 -5.520 214 HZ PHE 28 HZ PHE 28 -0.957 -9.942 -6.720 215 H TYR 29 H TYR 29 -6.695 -12.308 -4.990 216 HA TYR 29 HA TYR 29 -6.747 -10.868 -2.537 217 1HB TYR 29 2HB TYR 29 -6.923 -13.307 -2.615 218 2HB TYR 29 1HB TYR 29 -5.291 -13.427 -3.217 219 HD1 TYR 29 HD2 TYR 29 -7.270 -12.093 -0.327 220 HD2 TYR 29 HD1 TYR 29 -3.473 -13.603 -1.721 221 HE1 TYR 29 HE2 TYR 29 -6.409 -12.083 2.009 222 HE2 TYR 29 HE1 TYR 29 -2.612 -13.594 0.618 223 HH TYR 29 HH TYR 29 -4.399 -12.113 3.236 224 H THR 30 H THR 30 -5.289 -9.581 -1.615 225 HA THR 30 HA THR 30 -2.842 -8.870 -3.018 226 HB THR 30 HB THR 30 -3.721 -8.099 -0.219 227 HG1 THR 30 HG1 THR 30 -4.060 -6.660 -2.630 228 1HG2 THR 30 3HG2 THR 30 -1.720 -6.951 -2.183 229 2HG2 THR 30 1HG2 THR 30 -2.285 -6.083 -0.755 230 3HG2 THR 30 2HG2 THR 30 -1.391 -7.593 -0.573 231 H SER 31 H SER 31 -0.705 -9.348 -2.395 232 HA SER 31 HA SER 31 -0.250 -11.868 -1.124 233 1HB SER 31 1HB SER 31 1.527 -9.570 -1.917 234 2HB SER 31 2HB SER 31 2.184 -10.928 -1.003 235 HG SER 31 HG SER 31 2.148 -10.989 -3.438 236 H GLY 32 H GLY 32 1.422 -11.932 0.820 237 1HA GLY 32 2HA GLY 32 0.350 -10.113 2.933 238 2HA GLY 32 1HA GLY 32 0.806 -11.771 3.236 239 H LYS 33 H LYS 33 2.353 -8.927 1.701 240 HA LYS 33 HA LYS 33 4.573 -9.125 3.637 241 1HB LYS 33 2HB LYS 33 6.250 -9.149 1.747 242 2HB LYS 33 1HB LYS 33 5.368 -10.644 1.944 243 1HG LYS 33 1HG LYS 33 4.540 -10.476 -0.141 244 2HG LYS 33 2HG LYS 33 3.890 -8.894 0.209 245 1HD LYS 33 1HD LYS 33 5.746 -7.797 -0.635 246 2HD LYS 33 2HD LYS 33 6.824 -9.123 -0.271 247 1HE LYS 33 1HE LYS 33 5.340 -10.393 -2.066 248 2HE LYS 33 2HE LYS 33 5.010 -8.752 -2.619 249 1HZ LYS 33 3HZ LYS 33 7.788 -9.365 -2.048 250 2HZ LYS 33 1HZ LYS 33 7.123 -10.164 -3.390 251 3HZ LYS 33 2HZ LYS 33 7.111 -8.467 -3.320 252 H CYS 34 H CYS 34 2.445 -7.170 2.818 253 HA CYS 34 HA CYS 34 4.285 -4.872 2.381 254 1HB CYS 34 1HB CYS 34 2.601 -3.862 0.828 255 2HB CYS 34 2HB CYS 34 3.327 -5.336 0.188 256 H SER 35 H SER 35 2.593 -6.113 4.639 257 HA SER 35 HA SER 35 1.255 -5.326 6.399 258 1HB SER 35 1HB SER 35 2.843 -3.016 5.435 259 2HB SER 35 2HB SER 35 1.439 -2.613 6.423 260 HG SER 35 HG SER 35 2.673 -3.126 8.028 261 H ASN 36 H ASN 36 0.091 -5.536 3.631 262 HA ASN 36 HA ASN 36 -2.317 -3.871 4.180 263 1HB ASN 36 2HB ASN 36 -0.618 -3.833 1.714 264 2HB ASN 36 1HB ASN 36 -2.343 -3.619 1.549 265 1HD2 ASN 36 1HD2 ASN 36 -0.793 -0.330 1.896 266 2HD2 ASN 36 2HD2 ASN 36 0.277 -1.624 1.650 267 HA PRO 37 HA PRO 37 -2.942 -8.401 2.870 268 1HB PRO 37 1HB PRO 37 -4.456 -8.805 5.285 269 2HB PRO 37 2HB PRO 37 -2.925 -9.565 4.835 270 1HG PRO 37 1HG PRO 37 -3.383 -7.504 6.824 271 2HG PRO 37 2HG PRO 37 -1.867 -8.322 6.431 272 1HD PRO 37 2HD PRO 37 -2.598 -5.616 5.815 273 2HD PRO 37 1HD PRO 37 -1.117 -6.472 5.345 274 H ALA 38 H ALA 38 -4.813 -8.683 1.644 275 HA ALA 38 HA ALA 38 -7.438 -8.008 2.497 276 1HB ALA 38 3HB ALA 38 -6.002 -5.714 1.985 277 2HB ALA 38 1HB ALA 38 -6.805 -5.999 0.441 278 3HB ALA 38 2HB ALA 38 -7.760 -5.834 1.914 279 H VAL 39 H VAL 39 -8.358 -7.053 -0.132 280 HA VAL 39 HA VAL 39 -7.501 -9.181 -1.980 281 HB VAL 39 HB VAL 39 -9.774 -9.502 -0.359 282 1HG1 VAL 39 1HG1 VAL 39 -10.608 -8.663 -3.143 283 2HG1 VAL 39 2HG1 VAL 39 -11.643 -9.553 -2.027 284 3HG1 VAL 39 3HG1 VAL 39 -11.101 -7.925 -1.619 285 1HG2 VAL 39 2HG2 VAL 39 -8.666 -10.791 -2.805 286 2HG2 VAL 39 3HG2 VAL 39 -8.877 -11.447 -1.181 287 3HG2 VAL 39 1HG2 VAL 39 -10.266 -11.290 -2.255 288 H VAL 40 H VAL 40 -8.360 -8.588 -4.210 289 HA VAL 40 HA VAL 40 -9.150 -5.734 -4.245 290 HB VAL 40 HB VAL 40 -6.774 -6.936 -5.657 291 1HG1 VAL 40 2HG1 VAL 40 -8.474 -5.015 -6.769 292 2HG1 VAL 40 3HG1 VAL 40 -7.199 -4.070 -6.011 293 3HG1 VAL 40 1HG1 VAL 40 -6.793 -5.295 -7.210 294 1HG2 VAL 40 3HG2 VAL 40 -6.534 -6.167 -3.316 295 2HG2 VAL 40 1HG2 VAL 40 -5.613 -5.151 -4.427 296 3HG2 VAL 40 2HG2 VAL 40 -7.159 -4.584 -3.787 297 H PHE 41 H PHE 41 -10.951 -5.565 -5.367 298 HA PHE 41 HA PHE 41 -11.583 -7.572 -7.376 299 1HB PHE 41 1HB PHE 41 -13.107 -5.254 -6.198 300 2HB PHE 41 2HB PHE 41 -13.726 -6.161 -7.577 301 HD1 PHE 41 HD1 PHE 41 -13.499 -8.856 -7.252 302 HD2 PHE 41 HD2 PHE 41 -13.813 -5.942 -4.081 303 HE1 PHE 41 HE1 PHE 41 -14.341 -10.625 -5.709 304 HE2 PHE 41 HE2 PHE 41 -14.653 -7.711 -2.538 305 HZ PHE 41 HZ PHE 41 -14.921 -10.051 -3.353 306 H VAL 42 H VAL 42 -11.722 -7.299 -9.474 307 HA VAL 42 HA VAL 42 -10.638 -4.744 -10.579 308 HB VAL 42 HB VAL 42 -10.537 -6.780 -12.539 309 1HG1 VAL 42 2HG2 VAL 42 -8.690 -5.155 -10.877 310 2HG1 VAL 42 3HG2 VAL 42 -7.985 -6.519 -11.743 311 3HG1 VAL 42 1HG2 VAL 42 -8.818 -5.246 -12.637 312 1HG2 VAL 42 1HG1 VAL 42 -9.402 -7.703 -9.887 313 2HG2 VAL 42 2HG1 VAL 42 -10.705 -8.473 -10.780 314 3HG2 VAL 42 3HG1 VAL 42 -9.080 -8.459 -11.448 315 H THR 43 H THR 43 -12.947 -4.079 -10.320 316 HA THR 43 HA THR 43 -15.089 -5.412 -11.707 317 HB THR 43 HB THR 43 -16.483 -3.715 -10.853 318 HG1 THR 43 HG1 THR 43 -15.475 -1.689 -10.174 319 1HG2 THR 43 2HG2 THR 43 -14.622 -4.899 -9.191 320 2HG2 THR 43 3HG2 THR 43 -14.466 -3.189 -8.789 321 3HG2 THR 43 1HG2 THR 43 -16.032 -3.988 -8.651 322 H ARG 44 H ARG 44 -16.526 -3.250 -12.780 323 HA ARG 44 HA ARG 44 -16.000 -3.440 -15.466 324 1HB ARG 44 1HB ARG 44 -17.133 -1.094 -15.610 325 2HB ARG 44 2HB ARG 44 -18.046 -2.431 -14.968 326 1HG ARG 44 1HG ARG 44 -16.605 -1.260 -12.798 327 2HG ARG 44 2HG ARG 44 -17.401 0.037 -13.686 328 1HD ARG 44 1HD ARG 44 -19.538 -0.864 -13.333 329 2HD ARG 44 2HD ARG 44 -18.908 -2.479 -13.009 330 HE ARG 44 HE ARG 44 -18.120 -1.621 -10.810 331 1HH1 ARG 44 2HH1 ARG 44 -18.599 1.593 -11.176 332 2HH1 ARG 44 1HH1 ARG 44 -20.144 1.408 -11.938 333 1HH2 ARG 44 1HH2 ARG 44 -20.043 -1.024 -9.189 334 2HH2 ARG 44 2HH2 ARG 44 -21.269 -0.118 -10.012 335 H LYS 45 H LYS 45 -15.054 -0.481 -13.622 336 HA LYS 45 HA LYS 45 -13.330 0.542 -15.652 337 1HB LYS 45 2HB LYS 45 -13.784 1.047 -12.808 338 2HB LYS 45 1HB LYS 45 -12.083 1.213 -13.241 339 1HG LYS 45 1HG LYS 45 -12.558 3.242 -14.099 340 2HG LYS 45 2HG LYS 45 -13.537 2.443 -15.329 341 1HD LYS 45 1HD LYS 45 -14.719 2.878 -12.609 342 2HD LYS 45 2HD LYS 45 -14.618 4.246 -13.718 343 1HE LYS 45 1HE LYS 45 -15.674 1.669 -14.795 344 2HE LYS 45 2HE LYS 45 -16.723 2.595 -13.722 345 1HZ LYS 45 1HZ LYS 45 -15.972 4.553 -15.241 346 2HZ LYS 45 2HZ LYS 45 -15.657 3.314 -16.360 347 3HZ LYS 45 3HZ LYS 45 -17.224 3.518 -15.736 348 H ASN 46 H ASN 46 -13.010 -1.925 -13.260 349 HA ASN 46 HA ASN 46 -11.570 -3.687 -13.035 350 1HB ASN 46 2HB ASN 46 -11.239 -2.832 -15.787 351 2HB ASN 46 1HB ASN 46 -9.709 -3.374 -15.147 352 1HD2 ASN 46 1HD2 ASN 46 -11.689 -6.313 -16.458 353 2HD2 ASN 46 2HD2 ASN 46 -11.553 -4.756 -17.118 354 H ARG 47 H ARG 47 -10.789 -0.629 -12.454 355 HA ARG 47 HA ARG 47 -7.914 -0.727 -12.214 356 1HB ARG 47 1HB ARG 47 -9.884 0.624 -10.331 357 2HB ARG 47 2HB ARG 47 -8.168 1.000 -10.495 358 1HG ARG 47 1HG ARG 47 -9.248 1.156 -13.100 359 2HG ARG 47 2HG ARG 47 -10.397 1.987 -12.051 360 1HD ARG 47 1HD ARG 47 -7.873 2.808 -11.143 361 2HD ARG 47 2HD ARG 47 -7.748 2.831 -12.902 362 HE ARG 47 HE ARG 47 -10.081 4.136 -12.587 363 1HH1 ARG 47 2HH2 ARG 47 -8.533 4.441 -9.652 364 2HH1 ARG 47 1HH2 ARG 47 -9.094 6.077 -9.732 365 1HH2 ARG 47 1HH1 ARG 47 -8.871 6.546 -12.955 366 2HH2 ARG 47 2HH1 ARG 47 -7.460 6.602 -11.952 367 H GLN 48 H GLN 48 -6.857 -1.235 -9.941 368 HA GLN 48 HA GLN 48 -8.136 -3.723 -9.128 369 1HB GLN 48 2HB GLN 48 -5.433 -2.577 -8.904 370 2HB GLN 48 1HB GLN 48 -5.929 -3.602 -7.554 371 1HG GLN 48 1HG GLN 48 -6.593 -5.364 -9.121 372 2HG GLN 48 2HG GLN 48 -6.220 -4.346 -10.479 373 1HE2 GLN 48 2HE2 GLN 48 -3.335 -6.541 -8.767 374 2HE2 GLN 48 1HE2 GLN 48 -4.921 -6.986 -9.170 375 H VAL 49 H VAL 49 -9.933 -2.687 -8.318 376 HA VAL 49 HA VAL 49 -9.993 -0.844 -6.169 377 HB VAL 49 HB VAL 49 -12.219 -2.773 -6.289 378 1HG1 VAL 49 3HG1 VAL 49 -11.932 0.228 -6.452 379 2HG1 VAL 49 1HG1 VAL 49 -13.480 -0.616 -6.391 380 3HG1 VAL 49 2HG1 VAL 49 -12.367 -0.714 -5.026 381 1HG2 VAL 49 1HG2 VAL 49 -11.250 -1.354 -8.755 382 2HG2 VAL 49 2HG2 VAL 49 -12.111 -2.883 -8.633 383 3HG2 VAL 49 3HG2 VAL 49 -12.983 -1.365 -8.451 384 H CYS 50 H CYS 50 -10.677 -1.337 -3.931 385 HA CYS 50 HA CYS 50 -9.494 -3.911 -3.000 386 1HB CYS 50 2HB CYS 50 -8.589 -1.543 -2.321 387 2HB CYS 50 1HB CYS 50 -9.969 -1.514 -1.257 388 H ALA 51 H ALA 51 -10.545 -4.626 -0.804 389 HA ALA 51 HA ALA 51 -13.258 -3.757 -0.290 390 1HB ALA 51 2HB ALA 51 -12.757 -6.153 -2.010 391 2HB ALA 51 3HB ALA 51 -14.087 -6.216 -0.857 392 3HB ALA 51 1HB ALA 51 -14.059 -4.966 -2.098 393 H ASN 52 H ASN 52 -10.649 -4.569 1.093 394 HA ASN 52 HA ASN 52 -10.175 -5.421 3.218 395 1HB ASN 52 1HB ASN 52 -12.478 -4.427 3.667 396 2HB ASN 52 2HB ASN 52 -13.128 -6.047 3.392 397 1HD2 ASN 52 2HD2 ASN 52 -11.289 -4.777 6.690 398 2HD2 ASN 52 1HD2 ASN 52 -10.153 -5.000 5.448 399 HA PRO 53 HA PRO 53 -9.964 -9.786 2.373 400 1HB PRO 53 1HB PRO 53 -8.529 -10.466 4.652 401 2HB PRO 53 2HB PRO 53 -7.807 -9.798 3.179 402 1HG PRO 53 1HG PRO 53 -8.212 -8.502 5.809 403 2HG PRO 53 2HG PRO 53 -7.146 -8.020 4.482 404 1HD PRO 53 2HD PRO 53 -9.683 -6.873 5.181 405 2HD PRO 53 1HD PRO 53 -8.659 -6.447 3.817 406 H GLU 54 H GLU 54 -10.608 -8.804 5.762 407 HA GLU 54 HA GLU 54 -12.241 -11.251 6.154 408 1HB GLU 54 1HB GLU 54 -10.426 -10.320 7.796 409 2HB GLU 54 2HB GLU 54 -11.698 -9.200 8.286 410 1HG GLU 54 1HG GLU 54 -12.532 -10.822 9.608 411 2HG GLU 54 2HG GLU 54 -12.915 -11.746 8.155 412 H LYS 55 H LYS 55 -13.439 -9.306 4.459 413 HA LYS 55 HA LYS 55 -15.418 -7.929 6.187 414 1HB LYS 55 2HB LYS 55 -14.400 -7.535 3.478 415 2HB LYS 55 1HB LYS 55 -16.143 -7.461 3.547 416 1HG LYS 55 1HG LYS 55 -14.489 -5.986 5.580 417 2HG LYS 55 2HG LYS 55 -14.788 -5.277 3.993 418 1HD LYS 55 1HD LYS 55 -17.008 -4.927 4.418 419 2HD LYS 55 2HD LYS 55 -17.162 -6.398 5.378 420 1HE LYS 55 1HE LYS 55 -15.739 -5.190 7.148 421 2HE LYS 55 2HE LYS 55 -16.057 -3.717 6.231 422 1HZ LYS 55 3HZ LYS 55 -18.507 -4.686 6.398 423 2HZ LYS 55 1HZ LYS 55 -17.870 -5.340 7.829 424 3HZ LYS 55 2HZ LYS 55 -17.847 -3.661 7.580 425 H LYS 56 H LYS 56 -15.204 -10.945 5.615 426 HA LYS 56 HA LYS 56 -16.700 -12.714 5.370 427 1HB LYS 56 1HB LYS 56 -18.071 -11.478 6.960 428 2HB LYS 56 2HB LYS 56 -18.725 -10.476 5.667 429 1HG LYS 56 1HG LYS 56 -20.334 -12.014 5.319 430 2HG LYS 56 2HG LYS 56 -19.094 -13.196 4.900 431 1HD LYS 56 1HD LYS 56 -18.846 -13.262 7.578 432 2HD LYS 56 2HD LYS 56 -20.542 -12.796 7.472 433 1HE LYS 56 1HE LYS 56 -19.295 -15.176 6.062 434 2HE LYS 56 2HE LYS 56 -20.268 -15.263 7.530 435 1HZ LYS 56 1HZ LYS 56 -22.090 -14.197 6.284 436 2HZ LYS 56 2HZ LYS 56 -21.151 -14.284 4.870 437 3HZ LYS 56 3HZ LYS 56 -21.651 -15.709 5.646 438 H TRP 57 H TRP 57 -18.915 -10.478 3.765 439 HA TRP 57 HA TRP 57 -19.482 -12.040 1.559 440 1HB TRP 57 1HB TRP 57 -20.189 -10.004 0.428 441 2HB TRP 57 2HB TRP 57 -20.634 -9.922 2.136 442 HD1 TRP 57 HD1 TRP 57 -19.624 -7.929 3.482 443 HE1 TRP 57 HE1 TRP 57 -18.038 -5.993 2.844 444 HE3 TRP 57 HE3 TRP 57 -18.196 -9.535 -1.093 445 HZ2 TRP 57 HZ2 TRP 57 -16.398 -5.206 0.588 446 HZ3 TRP 57 HZ3 TRP 57 -16.756 -8.169 -2.535 447 HH2 TRP 57 HH2 TRP 57 -15.835 -6.009 -1.705 448 H VAL 58 H VAL 58 -16.598 -10.014 1.920 449 HA VAL 58 HA VAL 58 -15.755 -10.014 -0.778 450 HB VAL 58 HB VAL 58 -13.360 -10.225 0.338 451 1HG1 VAL 58 1HG1 VAL 58 -14.761 -8.225 -0.638 452 2HG1 VAL 58 2HG1 VAL 58 -14.862 -7.758 1.060 453 3HG1 VAL 58 3HG1 VAL 58 -13.289 -7.934 0.280 454 1HG2 VAL 58 2HG2 VAL 58 -14.422 -10.942 2.506 455 2HG2 VAL 58 3HG2 VAL 58 -13.262 -9.619 2.602 456 3HG2 VAL 58 1HG2 VAL 58 -14.991 -9.283 2.665 457 H ARG 59 H ARG 59 -15.081 -12.525 1.702 458 HA ARG 59 HA ARG 59 -13.583 -14.168 -0.131 459 1HB ARG 59 2HB ARG 59 -14.119 -16.015 1.547 460 2HB ARG 59 1HB ARG 59 -13.265 -14.632 2.186 461 1HG ARG 59 1HG ARG 59 -15.170 -13.802 3.273 462 2HG ARG 59 2HG ARG 59 -16.263 -14.714 2.260 463 1HD ARG 59 1HD ARG 59 -14.368 -16.370 3.793 464 2HD ARG 59 2HD ARG 59 -15.509 -15.463 4.786 465 HE ARG 59 HE ARG 59 -16.761 -16.883 2.553 466 1HH1 ARG 59 2HH2 ARG 59 -17.011 -16.250 5.787 467 2HH1 ARG 59 1HH2 ARG 59 -17.282 -17.876 6.321 468 1HH2 ARG 59 2HH1 ARG 59 -16.360 -19.485 3.708 469 2HH2 ARG 59 1HH1 ARG 59 -18.003 -19.294 4.225 470 H GLU 60 H GLU 60 -16.995 -13.844 0.644 471 HA GLU 60 HA GLU 60 -17.878 -16.216 -0.755 472 1HB GLU 60 1HB GLU 60 -19.160 -13.740 0.299 473 2HB GLU 60 2HB GLU 60 -20.029 -14.618 -0.936 474 1HG GLU 60 1HG GLU 60 -19.376 -16.698 0.596 475 2HG GLU 60 2HG GLU 60 -19.321 -15.464 1.832 476 H TYR 61 H TYR 61 -16.657 -13.187 -1.755 477 HA TYR 61 HA TYR 61 -17.874 -13.323 -4.442 478 1HB TYR 61 2HB TYR 61 -16.489 -11.290 -2.799 479 2HB TYR 61 1HB TYR 61 -16.091 -11.238 -4.490 480 HD1 TYR 61 HD2 TYR 61 -18.860 -11.116 -2.029 481 HD2 TYR 61 HD1 TYR 61 -17.723 -10.522 -6.147 482 HE1 TYR 61 HE2 TYR 61 -21.042 -10.010 -2.463 483 HE2 TYR 61 HE1 TYR 61 -19.907 -9.405 -6.581 484 HH TYR 61 HH TYR 61 -22.523 -9.693 -4.757 485 H ILE 62 H ILE 62 -14.884 -13.887 -2.721 486 HA ILE 62 HA ILE 62 -13.107 -14.022 -4.954 487 HB ILE 62 HB ILE 62 -13.066 -15.417 -2.260 488 1HG1 ILE 62 1HG1 ILE 62 -11.493 -13.039 -3.269 489 2HG1 ILE 62 2HG1 ILE 62 -12.968 -12.894 -2.347 490 1HG2 ILE 62 1HG2 ILE 62 -11.474 -15.902 -4.581 491 2HG2 ILE 62 2HG2 ILE 62 -10.465 -15.084 -3.388 492 3HG2 ILE 62 3HG2 ILE 62 -11.286 -16.588 -2.968 493 1HD1 ILE 62 3HD1 ILE 62 -11.721 -14.541 -0.689 494 2HD1 ILE 62 1HD1 ILE 62 -10.284 -13.885 -1.474 495 3HD1 ILE 62 2HD1 ILE 62 -11.401 -12.806 -0.636 496 H ASN 63 H ASN 63 -15.126 -16.501 -3.371 497 HA ASN 63 HA ASN 63 -14.273 -18.520 -5.343 498 1HB ASN 63 2HB ASN 63 -15.291 -18.610 -2.720 499 2HB ASN 63 1HB ASN 63 -16.543 -19.298 -3.725 500 1HD2 ASN 63 1HD2 ASN 63 -15.116 -22.112 -4.629 501 2HD2 ASN 63 2HD2 ASN 63 -15.974 -21.757 -3.208 502 H SER 64 H SER 64 -17.067 -16.478 -4.651 503 HA SER 64 HA SER 64 -18.944 -17.728 -6.386 504 1HB SER 64 1HB SER 64 -19.664 -16.001 -4.842 505 2HB SER 64 2HB SER 64 -18.613 -14.814 -5.614 506 HG SER 64 HG SER 64 -21.056 -15.829 -6.420 507 H LEU 65 H LEU 65 -16.171 -15.720 -7.054 508 HA LEU 65 HA LEU 65 -16.985 -15.046 -9.772 509 1HB LEU 65 2HB LEU 65 -14.429 -14.797 -8.203 510 2HB LEU 65 1HB LEU 65 -14.446 -14.494 -9.924 511 HG LEU 65 HG LEU 65 -16.464 -13.176 -8.121 512 1HD1 LEU 65 3HD1 LEU 65 -14.037 -12.784 -7.359 513 2HD1 LEU 65 1HD1 LEU 65 -13.820 -11.928 -8.886 514 3HD1 LEU 65 2HD1 LEU 65 -15.000 -11.349 -7.709 515 1HD2 LEU 65 1HD2 LEU 65 -16.144 -13.262 -10.856 516 2HD2 LEU 65 2HD2 LEU 65 -16.998 -11.989 -9.982 517 3HD2 LEU 65 3HD2 LEU 65 -15.307 -11.769 -10.433 518 H GLU 66 H GLU 66 -13.989 -16.754 -8.892 519 HA GLU 66 HA GLU 66 -14.146 -18.352 -11.325 520 1HB GLU 66 1HB GLU 66 -12.119 -17.595 -9.531 521 2HB GLU 66 2HB GLU 66 -12.244 -19.346 -9.372 522 1HG GLU 66 1HG GLU 66 -10.707 -18.987 -11.159 523 2HG GLU 66 2HG GLU 66 -12.229 -19.424 -11.936 524 H MET 67 H MET 67 -13.272 -20.862 -10.496 525 HA MET 67 HA MET 67 -15.737 -21.884 -9.172 526 1HB MET 67 1HB MET 67 -13.731 -23.071 -11.074 527 2HB MET 67 2HB MET 67 -14.721 -24.128 -10.068 528 1HG MET 67 1HG MET 67 -15.899 -21.929 -11.781 529 2HG MET 67 2HG MET 67 -15.684 -23.579 -12.364 530 1HE MET 67 1HE MET 67 -18.148 -22.180 -12.537 531 2HE MET 67 3HE MET 67 -18.515 -23.894 -12.726 532 3HE MET 67 2HE MET 67 -19.486 -22.898 -11.642 533 H SER 68 H SER 68 -12.287 -21.607 -8.787 534 HA SER 68 HA SER 68 -12.363 -22.264 -6.014 535 1HB SER 68 1HB SER 68 -10.865 -24.432 -6.439 536 2HB SER 68 2HB SER 68 -12.622 -24.538 -6.335 537 HG SER 68 HG SER 68 -11.760 -25.585 -8.194 538 H SER 1 H SER 1 -15.459 14.445 0.803 539 HA SER 1 HA SER 1 -17.328 13.026 -0.932 540 1HB SER 1 1HB SER 1 -14.541 14.089 -1.163 541 2HB SER 1 2HB SER 1 -15.053 12.849 -2.307 542 HG SER 1 HG SER 1 -15.831 15.472 -2.071 543 HA PRO 2 HA PRO 2 -16.295 8.861 -0.065 544 1HB PRO 2 1HB PRO 2 -15.681 8.062 -2.768 545 2HB PRO 2 2HB PRO 2 -17.180 7.792 -1.873 546 1HG PRO 2 1HG PRO 2 -16.729 9.634 -4.049 547 2HG PRO 2 2HG PRO 2 -18.228 9.363 -3.153 548 1HD PRO 2 1HD PRO 2 -16.469 11.643 -3.009 549 2HD PRO 2 2HD PRO 2 -17.973 11.371 -2.111 550 H TYR 3 H TYR 3 -14.479 7.105 -0.920 551 HA TYR 3 HA TYR 3 -11.887 8.592 -1.054 552 1HB TYR 3 1HB TYR 3 -12.498 6.101 0.569 553 2HB TYR 3 2HB TYR 3 -10.916 6.871 0.432 554 HD1 TYR 3 HD2 TYR 3 -10.990 9.544 0.891 555 HD2 TYR 3 HD1 TYR 3 -13.788 6.644 2.440 556 HE1 TYR 3 HE2 TYR 3 -11.590 11.109 2.735 557 HE2 TYR 3 HE1 TYR 3 -14.388 8.210 4.285 558 HH TYR 3 HH TYR 3 -14.287 10.496 4.869 559 H SER 4 H SER 4 -10.157 7.400 -2.122 560 HA SER 4 HA SER 4 -11.208 5.627 -4.239 561 1HB SER 4 1HB SER 4 -9.295 7.605 -4.245 562 2HB SER 4 2HB SER 4 -8.310 6.144 -4.173 563 HG SER 4 HG SER 4 -9.509 5.362 -5.967 564 H SER 5 H SER 5 -11.396 3.521 -3.593 565 HA SER 5 HA SER 5 -9.187 2.362 -1.950 566 1HB SER 5 1HB SER 5 -11.932 1.184 -2.455 567 2HB SER 5 2HB SER 5 -10.752 0.668 -1.249 568 HG SER 5 HG SER 5 -12.200 3.096 -1.352 569 H ASP 6 H ASP 6 -7.700 1.418 -3.278 570 HA ASP 6 HA ASP 6 -8.489 -0.752 -5.038 571 1HB ASP 6 1HB ASP 6 -7.781 0.237 -7.147 572 2HB ASP 6 2HB ASP 6 -9.029 1.258 -6.440 573 H THR 7 H THR 7 -6.040 -0.417 -6.700 574 HA THR 7 HA THR 7 -4.242 -1.648 -4.803 575 HB THR 7 HB THR 7 -4.367 -2.363 -7.179 576 HG1 THR 7 HG1 THR 7 -2.463 -2.795 -6.131 577 1HG2 THR 7 1HG2 THR 7 -4.618 0.128 -7.920 578 2HG2 THR 7 2HG2 THR 7 -2.855 0.139 -7.904 579 3HG2 THR 7 3HG2 THR 7 -3.721 -0.976 -8.961 580 H THR 8 H THR 8 -1.816 -0.833 -4.931 581 HA THR 8 HA THR 8 -1.548 2.081 -5.119 582 HB THR 8 HB THR 8 -0.648 1.179 -2.478 583 HG1 THR 8 HG1 THR 8 -2.558 0.703 -1.641 584 1HG2 THR 8 2HG2 THR 8 -2.241 3.458 -3.649 585 2HG2 THR 8 3HG2 THR 8 -2.076 3.265 -1.904 586 3HG2 THR 8 1HG2 THR 8 -0.644 3.503 -2.904 587 HA PRO 9 HA PRO 9 2.265 0.017 -6.422 588 1HB PRO 9 1HB PRO 9 3.188 2.662 -7.180 589 2HB PRO 9 2HB PRO 9 2.750 1.313 -8.237 590 1HG PRO 9 2HG PRO 9 1.248 3.726 -7.757 591 2HG PRO 9 1HG PRO 9 0.787 2.360 -8.774 592 1HD PRO 9 1HD PRO 9 -0.328 3.115 -6.257 593 2HD PRO 9 2HD PRO 9 -0.763 1.741 -7.261 594 H CYS 10 H CYS 10 2.871 -0.334 -4.176 595 HA CYS 10 HA CYS 10 4.686 1.791 -3.138 596 1HB CYS 10 2HB CYS 10 2.540 0.288 -1.645 597 2HB CYS 10 1HB CYS 10 3.890 1.023 -0.814 598 H CYS 11 H CYS 11 6.414 1.022 -1.852 599 HA CYS 11 HA CYS 11 7.120 -1.768 -2.514 600 1HB CYS 11 2HB CYS 11 9.031 -0.717 -3.071 601 2HB CYS 11 1HB CYS 11 8.575 0.740 -2.244 602 H PHE 12 H PHE 12 7.607 -3.292 -0.849 603 HA PHE 12 HA PHE 12 6.549 -2.515 1.816 604 1HB PHE 12 2HB PHE 12 6.316 -4.881 2.251 605 2HB PHE 12 1HB PHE 12 5.648 -4.557 0.672 606 HD1 PHE 12 HD2 PHE 12 6.799 -5.293 -1.385 607 HD2 PHE 12 HD1 PHE 12 8.412 -6.128 2.530 608 HE1 PHE 12 HE2 PHE 12 8.351 -6.966 -2.384 609 HE2 PHE 12 HE1 PHE 12 9.966 -7.801 1.532 610 HZ PHE 12 HZ PHE 12 9.934 -8.222 -0.925 611 H ALA 13 H ALA 13 9.403 -4.106 0.372 612 HA ALA 13 HA ALA 13 10.925 -3.281 2.805 613 1HB ALA 13 2HB ALA 13 10.477 -5.748 2.787 614 2HB ALA 13 3HB ALA 13 11.339 -5.849 1.251 615 3HB ALA 13 1HB ALA 13 12.194 -5.354 2.712 616 H TYR 14 H TYR 14 12.932 -2.399 2.416 617 HA TYR 14 HA TYR 14 13.583 -2.097 -0.457 618 1HB TYR 14 1HB TYR 14 15.062 -0.126 0.663 619 2HB TYR 14 2HB TYR 14 13.420 0.109 0.080 620 HD1 TYR 14 HD1 TYR 14 11.470 -0.249 1.750 621 HD2 TYR 14 HD2 TYR 14 15.599 0.209 2.923 622 HE1 TYR 14 HE1 TYR 14 10.752 0.224 4.081 623 HE2 TYR 14 HE2 TYR 14 14.878 0.691 5.263 624 HH TYR 14 HH TYR 14 11.473 1.119 6.090 625 H ILE 15 H ILE 15 15.633 -2.596 -1.191 626 HA ILE 15 HA ILE 15 17.236 -4.368 0.438 627 HB ILE 15 HB ILE 15 17.132 -4.635 -1.998 628 1HG1 ILE 15 2HG1 ILE 15 19.922 -3.692 -1.309 629 2HG1 ILE 15 1HG1 ILE 15 19.252 -5.195 -0.675 630 1HG2 ILE 15 1HG2 ILE 15 18.132 -1.801 -1.915 631 2HG2 ILE 15 2HG2 ILE 15 18.523 -2.825 -3.298 632 3HG2 ILE 15 3HG2 ILE 15 16.839 -2.495 -2.893 633 1HD1 ILE 15 1HD1 ILE 15 18.735 -5.823 -3.098 634 2HD1 ILE 15 2HD1 ILE 15 19.748 -4.457 -3.567 635 3HD1 ILE 15 3HD1 ILE 15 20.442 -5.799 -2.657 636 H ALA 16 H ALA 16 19.599 -3.943 0.849 637 HA ALA 16 HA ALA 16 19.977 -1.096 1.670 638 1HB ALA 16 3HB ALA 16 20.143 -3.357 3.210 639 2HB ALA 16 1HB ALA 16 21.829 -3.129 2.743 640 3HB ALA 16 2HB ALA 16 20.964 -1.840 3.582 641 H ARG 17 H ARG 17 20.871 -0.322 -0.285 642 HA ARG 17 HA ARG 17 23.657 -0.515 -0.647 643 1HB ARG 17 2HB ARG 17 22.240 -2.769 -1.736 644 2HB ARG 17 1HB ARG 17 22.959 -1.854 -3.039 645 1HG ARG 17 1HG ARG 17 25.023 -1.830 -1.298 646 2HG ARG 17 2HG ARG 17 24.269 -3.356 -0.839 647 1HD ARG 17 1HD ARG 17 24.218 -3.845 -3.392 648 2HD ARG 17 2HD ARG 17 25.406 -2.547 -3.512 649 HE ARG 17 HE ARG 17 26.412 -4.201 -1.522 650 1HH1 ARG 17 1HH1 ARG 17 25.789 -6.816 -2.502 651 2HH1 ARG 17 2HH1 ARG 17 25.783 -6.719 -4.231 652 1HH2 ARG 17 2HH2 ARG 17 28.448 -4.724 -3.669 653 2HH2 ARG 17 1HH2 ARG 17 27.379 -4.673 -5.030 654 HA PRO 18 HA PRO 18 21.899 3.004 -2.854 655 1HB PRO 18 2HB PRO 18 24.535 3.906 -3.522 656 2HB PRO 18 1HB PRO 18 23.456 4.557 -2.294 657 1HG PRO 18 2HG PRO 18 25.841 2.962 -1.897 658 2HG PRO 18 1HG PRO 18 24.822 3.703 -0.681 659 1HD PRO 18 1HD PRO 18 25.007 0.926 -1.304 660 2HD PRO 18 2HD PRO 18 23.902 1.683 -0.169 661 H LEU 19 H LEU 19 21.060 2.005 -4.681 662 HA LEU 19 HA LEU 19 22.380 0.495 -6.627 663 1HB LEU 19 1HB LEU 19 20.156 2.486 -7.097 664 2HB LEU 19 2HB LEU 19 20.567 1.159 -8.153 665 HG LEU 19 HG LEU 19 19.560 0.949 -5.306 666 1HD1 LEU 19 1HD1 LEU 19 17.896 1.525 -7.115 667 2HD1 LEU 19 2HD1 LEU 19 18.310 -0.002 -7.896 668 3HD1 LEU 19 3HD1 LEU 19 17.573 -0.002 -6.293 669 1HD2 LEU 19 2HD2 LEU 19 20.914 -0.963 -7.109 670 2HD2 LEU 19 3HD2 LEU 19 20.770 -0.982 -5.351 671 3HD2 LEU 19 1HD2 LEU 19 19.439 -1.566 -6.351 672 HA PRO 20 HA PRO 20 25.221 3.591 -8.216 673 1HB PRO 20 1HB PRO 20 25.608 1.942 -10.578 674 2HB PRO 20 2HB PRO 20 26.739 2.248 -9.255 675 1HG PRO 20 1HG PRO 20 25.307 -0.175 -9.773 676 2HG PRO 20 2HG PRO 20 26.332 0.178 -8.380 677 1HD PRO 20 1HD PRO 20 23.441 -0.029 -8.473 678 2HD PRO 20 2HD PRO 20 24.477 0.237 -7.058 679 H ARG 21 H ARG 21 25.056 5.205 -9.844 680 HA ARG 21 HA ARG 21 22.450 5.582 -11.008 681 1HB ARG 21 2HB ARG 21 24.163 7.382 -10.358 682 2HB ARG 21 1HB ARG 21 24.969 7.008 -11.881 683 1HG ARG 21 2HG ARG 21 22.022 7.537 -11.906 684 2HG ARG 21 1HG ARG 21 23.111 8.895 -11.770 685 1HD ARG 21 2HD ARG 21 24.291 7.455 -13.777 686 2HD ARG 21 1HD ARG 21 22.599 7.138 -14.072 687 HE ARG 21 HE ARG 21 22.779 9.904 -13.673 688 1HH1 ARG 21 1HH1 ARG 21 22.736 7.641 -16.119 689 2HH1 ARG 21 2HH1 ARG 21 23.222 8.768 -17.342 690 1HH2 ARG 21 1HH2 ARG 21 23.963 11.318 -15.397 691 2HH2 ARG 21 2HH2 ARG 21 24.980 10.324 -16.386 692 H ALA 22 H ALA 22 25.366 4.048 -12.152 693 HA ALA 22 HA ALA 22 24.579 4.179 -14.957 694 1HB ALA 22 2HB ALA 22 26.742 2.717 -13.447 695 2HB ALA 22 3HB ALA 22 26.445 2.398 -15.156 696 3HB ALA 22 1HB ALA 22 26.917 4.015 -14.628 697 H HIS 23 H HIS 23 23.627 2.251 -12.315 698 HA HIS 23 HA HIS 23 22.844 0.018 -14.121 699 1HB HIS 23 2HB HIS 23 22.660 0.203 -11.100 700 2HB HIS 23 1HB HIS 23 22.358 -1.231 -12.077 701 HD2 HIS 23 HD2 HIS 23 25.536 1.149 -12.432 702 HE1 HIS 23 HE1 HIS 23 26.819 -2.767 -11.489 703 HE2 HIS 23 HE2 HIS 23 27.591 -0.419 -12.096 704 H ILE 24 H ILE 24 21.565 2.730 -12.344 705 HA ILE 24 HA ILE 24 18.816 1.676 -12.547 706 HB ILE 24 HB ILE 24 19.655 4.404 -11.602 707 1HG1 ILE 24 2HG1 ILE 24 19.195 1.899 -9.974 708 2HG1 ILE 24 1HG1 ILE 24 20.751 2.644 -10.251 709 1HG2 ILE 24 3HG2 ILE 24 17.135 2.770 -11.487 710 2HG2 ILE 24 1HG2 ILE 24 17.432 4.049 -10.310 711 3HG2 ILE 24 2HG2 ILE 24 17.345 4.435 -12.028 712 1HD1 ILE 24 1HD1 ILE 24 18.977 4.682 -9.337 713 2HD1 ILE 24 2HD1 ILE 24 18.812 3.299 -8.253 714 3HD1 ILE 24 3HD1 ILE 24 20.395 4.033 -8.515 715 H LYS 25 H LYS 25 17.126 2.975 -13.613 716 HA LYS 25 HA LYS 25 18.227 4.547 -15.916 717 1HB LYS 25 1HB LYS 25 15.887 2.637 -15.775 718 2HB LYS 25 2HB LYS 25 16.076 3.798 -17.089 719 1HG LYS 25 1HG LYS 25 18.470 2.166 -16.419 720 2HG LYS 25 2HG LYS 25 17.127 1.308 -17.176 721 1HD LYS 25 1HD LYS 25 17.131 3.350 -18.834 722 2HD LYS 25 2HD LYS 25 18.784 3.570 -18.260 723 1HE LYS 25 1HE LYS 25 19.054 2.141 -20.111 724 2HE LYS 25 2HE LYS 25 19.046 1.024 -18.747 725 1HZ LYS 25 3HZ LYS 25 16.569 1.736 -20.197 726 2HZ LYS 25 1HZ LYS 25 17.568 0.460 -20.707 727 3HZ LYS 25 2HZ LYS 25 16.847 0.412 -19.170 728 H GLU 26 H GLU 26 15.861 4.368 -13.343 729 HA GLU 26 HA GLU 26 15.354 7.214 -13.462 730 1HB GLU 26 1HB GLU 26 12.747 6.621 -13.674 731 2HB GLU 26 2HB GLU 26 13.723 6.945 -15.088 732 1HG GLU 26 2HG GLU 26 13.800 4.136 -14.243 733 2HG GLU 26 1HG GLU 26 12.207 4.681 -14.701 734 H TYR 27 H TYR 27 12.888 7.113 -11.926 735 HA TYR 27 HA TYR 27 13.216 5.148 -9.846 736 1HB TYR 27 2HB TYR 27 14.003 6.490 -8.079 737 2HB TYR 27 1HB TYR 27 14.999 7.009 -9.433 738 HD1 TYR 27 HD1 TYR 27 14.214 9.088 -10.784 739 HD2 TYR 27 HD2 TYR 27 12.672 8.035 -6.892 740 HE1 TYR 27 HE1 TYR 27 13.360 11.412 -10.492 741 HE2 TYR 27 HE2 TYR 27 11.822 10.359 -6.598 742 HH TYR 27 HH TYR 27 12.660 12.924 -8.812 743 H PHE 28 H PHE 28 11.640 6.109 -7.855 744 HA PHE 28 HA PHE 28 9.466 7.672 -8.941 745 1HB PHE 28 2HB PHE 28 8.975 5.637 -10.146 746 2HB PHE 28 1HB PHE 28 9.147 4.671 -8.683 747 HD1 PHE 28 HD1 PHE 28 7.063 7.308 -10.321 748 HD2 PHE 28 HD2 PHE 28 7.338 4.382 -7.159 749 HE1 PHE 28 HE1 PHE 28 4.639 7.615 -9.826 750 HE2 PHE 28 HE2 PHE 28 4.920 4.695 -6.657 751 HZ PHE 28 HZ PHE 28 3.566 6.308 -7.994 752 H TYR 29 H TYR 29 9.402 8.856 -7.006 753 HA TYR 29 HA TYR 29 9.630 7.765 -4.389 754 1HB TYR 29 1HB TYR 29 9.793 10.169 -4.811 755 2HB TYR 29 2HB TYR 29 8.123 10.218 -5.311 756 HD1 TYR 29 HD2 TYR 29 10.300 9.279 -2.408 757 HD2 TYR 29 HD1 TYR 29 6.412 10.607 -3.730 758 HE1 TYR 29 HE2 TYR 29 9.604 9.595 -0.038 759 HE2 TYR 29 HE1 TYR 29 5.715 10.925 -1.359 760 HH TYR 29 HH TYR 29 7.684 9.806 1.308 761 H THR 30 H THR 30 8.244 6.627 -3.200 762 HA THR 30 HA THR 30 5.708 5.746 -4.319 763 HB THR 30 HB THR 30 6.781 5.360 -1.508 764 HG1 THR 30 HG1 THR 30 6.959 3.602 -3.716 765 1HG2 THR 30 3HG2 THR 30 4.653 3.966 -3.154 766 2HG2 THR 30 1HG2 THR 30 5.319 3.298 -1.663 767 3HG2 THR 30 2HG2 THR 30 4.434 4.824 -1.629 768 H SER 31 H SER 31 3.619 6.318 -3.623 769 HA SER 31 HA SER 31 3.243 8.991 -2.681 770 1HB SER 31 1HB SER 31 1.424 6.618 -3.030 771 2HB SER 31 2HB SER 31 0.828 8.092 -2.267 772 HG SER 31 HG SER 31 0.696 7.821 -4.684 773 H GLY 32 H GLY 32 1.708 9.330 -0.654 774 1HA GLY 32 1HA GLY 32 2.929 7.810 1.609 775 2HA GLY 32 2HA GLY 32 2.489 9.497 1.714 776 H LYS 33 H LYS 33 0.849 6.479 0.691 777 HA LYS 33 HA LYS 33 -1.231 6.951 2.730 778 1HB LYS 33 1HB LYS 33 -3.034 6.728 0.969 779 2HB LYS 33 2HB LYS 33 -2.153 8.235 0.915 780 1HG LYS 33 2HG LYS 33 -1.474 7.805 -1.186 781 2HG LYS 33 1HG LYS 33 -0.776 6.285 -0.680 782 1HD LYS 33 2HD LYS 33 -2.671 5.072 -1.233 783 2HD LYS 33 1HD LYS 33 -3.740 6.431 -0.981 784 1HE LYS 33 1HE LYS 33 -2.389 7.446 -3.031 785 2HE LYS 33 2HE LYS 33 -2.089 5.743 -3.375 786 1HZ LYS 33 3HZ LYS 33 -4.825 6.439 -2.701 787 2HZ LYS 33 1HZ LYS 33 -4.259 7.042 -4.184 788 3HZ LYS 33 2HZ LYS 33 -4.232 5.371 -3.881 789 H CYS 34 H CYS 34 0.838 4.892 2.045 790 HA CYS 34 HA CYS 34 -1.017 2.565 2.050 791 1HB CYS 34 1HB CYS 34 0.559 1.344 0.540 792 2HB CYS 34 2HB CYS 34 -0.214 2.721 -0.246 793 H SER 35 H SER 35 0.821 4.096 3.996 794 HA SER 35 HA SER 35 2.280 3.549 5.750 795 1HB SER 35 1HB SER 35 0.637 1.139 5.224 796 2HB SER 35 2HB SER 35 2.108 0.867 6.160 797 HG SER 35 HG SER 35 0.986 1.602 7.761 798 H ASN 36 H ASN 36 3.251 3.372 2.908 799 HA ASN 36 HA ASN 36 5.697 1.782 3.513 800 1HB ASN 36 1HB ASN 36 3.832 1.418 1.197 801 2HB ASN 36 2HB ASN 36 5.543 1.172 0.947 802 1HD2 ASN 36 1HD2 ASN 36 4.030 -2.029 1.845 803 2HD2 ASN 36 2HD2 ASN 36 2.942 -0.773 1.499 804 HA PRO 37 HA PRO 37 6.216 6.086 1.556 805 1HB PRO 37 1HB PRO 37 7.889 6.808 3.783 806 2HB PRO 37 2HB PRO 37 6.329 7.508 3.338 807 1HG PRO 37 1HG PRO 37 6.931 5.736 5.555 808 2HG PRO 37 2HG PRO 37 5.388 6.502 5.158 809 1HD PRO 37 2HD PRO 37 6.084 3.734 4.870 810 2HD PRO 37 1HD PRO 37 4.571 4.525 4.391 811 H ALA 38 H ALA 38 7.997 6.186 0.177 812 HA ALA 38 HA ALA 38 10.676 5.617 0.931 813 1HB ALA 38 3HB ALA 38 9.215 3.284 0.838 814 2HB ALA 38 1HB ALA 38 9.908 3.350 -0.782 815 3HB ALA 38 2HB ALA 38 10.964 3.382 0.630 816 H VAL 39 H VAL 39 11.416 4.307 -1.599 817 HA VAL 39 HA VAL 39 10.426 6.168 -3.657 818 HB VAL 39 HB VAL 39 12.804 6.694 -2.255 819 1HG1 VAL 39 1HG1 VAL 39 13.447 5.476 -4.949 820 2HG1 VAL 39 2HG1 VAL 39 14.554 6.503 -4.038 821 3HG1 VAL 39 3HG1 VAL 39 14.046 4.951 -3.375 822 1HG2 VAL 39 2HG2 VAL 39 11.527 7.643 -4.774 823 2HG2 VAL 39 3HG2 VAL 39 11.847 8.514 -3.273 824 3HG2 VAL 39 1HG2 VAL 39 13.160 8.202 -4.408 825 H VAL 40 H VAL 40 11.126 5.271 -5.839 826 HA VAL 40 HA VAL 40 11.925 2.435 -5.538 827 HB VAL 40 HB VAL 40 9.453 3.446 -6.935 828 1HG1 VAL 40 2HG1 VAL 40 11.081 1.383 -7.886 829 2HG1 VAL 40 3HG1 VAL 40 9.866 0.557 -6.920 830 3HG1 VAL 40 1HG1 VAL 40 9.373 1.608 -8.245 831 1HG2 VAL 40 3HG2 VAL 40 9.378 3.005 -4.500 832 2HG2 VAL 40 1HG2 VAL 40 8.387 1.853 -5.395 833 3HG2 VAL 40 2HG2 VAL 40 9.976 1.370 -4.792 834 H PHE 41 H PHE 41 13.640 2.097 -6.750 835 HA PHE 41 HA PHE 41 14.130 3.810 -9.051 836 1HB PHE 41 1HB PHE 41 15.738 1.664 -7.673 837 2HB PHE 41 2HB PHE 41 16.259 2.370 -9.203 838 HD1 PHE 41 HD1 PHE 41 16.048 5.087 -9.234 839 HD2 PHE 41 HD2 PHE 41 16.590 2.629 -5.725 840 HE1 PHE 41 HE1 PHE 41 16.988 7.044 -8.008 841 HE2 PHE 41 HE2 PHE 41 17.529 4.587 -4.500 842 HZ PHE 41 HZ PHE 41 17.731 6.793 -5.641 843 H VAL 42 H VAL 42 14.129 3.250 -11.098 844 HA VAL 42 HA VAL 42 12.979 0.575 -11.766 845 HB VAL 42 HB VAL 42 12.737 2.326 -13.973 846 1HG1 VAL 42 2HG2 VAL 42 11.013 0.952 -11.983 847 2HG1 VAL 42 3HG2 VAL 42 10.247 2.190 -12.975 848 3HG1 VAL 42 1HG2 VAL 42 11.020 0.803 -13.743 849 1HG2 VAL 42 1HG1 VAL 42 11.781 3.607 -11.400 850 2HG2 VAL 42 2HG1 VAL 42 13.020 4.239 -12.472 851 3HG2 VAL 42 3HG1 VAL 42 11.355 4.147 -13.025 852 H THR 43 H THR 43 15.302 -0.064 -11.577 853 HA THR 43 HA THR 43 17.340 1.054 -13.278 854 HB THR 43 HB THR 43 18.795 -0.515 -12.295 855 HG1 THR 43 HG1 THR 43 17.842 -2.425 -11.276 856 1HG2 THR 43 2HG2 THR 43 17.048 0.894 -10.687 857 2HG2 THR 43 3HG2 THR 43 16.925 -0.744 -10.046 858 3HG2 THR 43 1HG2 THR 43 18.494 0.055 -10.125 859 H ARG 44 H ARG 44 18.705 -1.246 -14.139 860 HA ARG 44 HA ARG 44 17.997 -1.424 -16.783 861 1HB ARG 44 2HB ARG 44 19.103 -3.788 -16.677 862 2HB ARG 44 1HB ARG 44 20.069 -2.383 -16.306 863 1HG ARG 44 1HG ARG 44 18.787 -3.220 -13.888 864 2HG ARG 44 2HG ARG 44 19.526 -4.633 -14.637 865 1HD ARG 44 1HD ARG 44 21.677 -3.700 -14.568 866 2HD ARG 44 2HD ARG 44 21.062 -2.053 -14.427 867 HE ARG 44 HE ARG 44 20.438 -2.594 -12.080 868 1HH1 ARG 44 2HH1 ARG 44 20.900 -5.832 -12.032 869 2HH1 ARG 44 1HH1 ARG 44 22.385 -5.763 -12.920 870 1HH2 ARG 44 1HH2 ARG 44 22.468 -2.980 -10.526 871 2HH2 ARG 44 2HH2 ARG 44 23.638 -3.995 -11.301 872 H LYS 45 H LYS 45 17.186 -4.094 -14.494 873 HA LYS 45 HA LYS 45 15.326 -5.373 -16.238 874 1HB LYS 45 2HB LYS 45 15.981 -5.486 -13.389 875 2HB LYS 45 1HB LYS 45 14.254 -5.700 -13.676 876 1HG LYS 45 1HG LYS 45 14.677 -7.830 -14.279 877 2HG LYS 45 2HG LYS 45 15.566 -7.212 -15.671 878 1HD LYS 45 1HD LYS 45 16.934 -7.277 -13.005 879 2HD LYS 45 2HD LYS 45 16.762 -8.784 -13.906 880 1HE LYS 45 1HE LYS 45 17.734 -6.384 -15.396 881 2HE LYS 45 2HE LYS 45 18.856 -7.163 -14.282 882 1HZ LYS 45 1HZ LYS 45 18.009 -9.304 -15.464 883 2HZ LYS 45 2HZ LYS 45 17.614 -8.228 -16.717 884 3HZ LYS 45 3HZ LYS 45 19.220 -8.355 -16.180 885 H ASN 46 H ASN 46 15.169 -2.599 -14.191 886 HA ASN 46 HA ASN 46 13.743 -0.814 -14.109 887 1HB ASN 46 1HB ASN 46 13.225 -2.035 -16.690 888 2HB ASN 46 2HB ASN 46 11.741 -1.400 -16.027 889 1HD2 ASN 46 1HD2 ASN 46 13.616 1.321 -17.860 890 2HD2 ASN 46 2HD2 ASN 46 13.442 -0.312 -18.289 891 H ARG 47 H ARG 47 13.013 -3.757 -13.063 892 HA ARG 47 HA ARG 47 10.161 -3.610 -12.642 893 1HB ARG 47 1HB ARG 47 12.261 -4.702 -10.731 894 2HB ARG 47 2HB ARG 47 10.540 -5.086 -10.723 895 1HG ARG 47 1HG ARG 47 11.438 -5.605 -13.351 896 2HG ARG 47 2HG ARG 47 12.658 -6.291 -12.278 897 1HD ARG 47 1HD ARG 47 10.207 -6.964 -11.094 898 2HD ARG 47 2HD ARG 47 9.960 -7.226 -12.821 899 HE ARG 47 HE ARG 47 12.312 -8.491 -12.494 900 1HH1 ARG 47 2HH2 ARG 47 10.972 -8.381 -9.445 901 2HH1 ARG 47 1HH2 ARG 47 11.532 -10.017 -9.338 902 1HH2 ARG 47 1HH1 ARG 47 11.089 -10.921 -12.443 903 2HH2 ARG 47 2HH1 ARG 47 9.751 -10.831 -11.346 904 H GLN 48 H GLN 48 9.262 -2.787 -10.392 905 HA GLN 48 HA GLN 48 10.586 -0.217 -10.021 906 1HB GLN 48 2HB GLN 48 7.909 -1.305 -9.456 907 2HB GLN 48 1HB GLN 48 8.493 -0.111 -8.293 908 1HG GLN 48 2HG GLN 48 9.040 1.422 -10.126 909 2HG GLN 48 1HG GLN 48 8.577 0.232 -11.304 910 1HE2 GLN 48 2HE2 GLN 48 5.809 2.653 -9.713 911 2HE2 GLN 48 1HE2 GLN 48 7.363 3.030 -10.281 912 H VAL 49 H VAL 49 12.439 -1.150 -9.201 913 HA VAL 49 HA VAL 49 12.651 -2.677 -6.828 914 HB VAL 49 HB VAL 49 14.860 -0.798 -7.363 915 1HG1 VAL 49 3HG1 VAL 49 14.569 -3.793 -7.093 916 2HG1 VAL 49 1HG1 VAL 49 16.116 -2.958 -7.255 917 3HG1 VAL 49 2HG1 VAL 49 15.098 -2.666 -5.843 918 1HG2 VAL 49 1HG2 VAL 49 13.728 -2.536 -9.539 919 2HG2 VAL 49 2HG2 VAL 49 14.590 -1.010 -9.688 920 3HG2 VAL 49 3HG2 VAL 49 15.478 -2.493 -9.358 921 H CYS 50 H CYS 50 13.489 -1.888 -4.731 922 HA CYS 50 HA CYS 50 12.365 0.796 -4.081 923 1HB CYS 50 1HB CYS 50 11.519 -1.453 -3.024 924 2HB CYS 50 2HB CYS 50 12.966 -1.339 -2.062 925 H ALA 51 H ALA 51 13.560 1.797 -2.080 926 HA ALA 51 HA ALA 51 16.306 0.990 -1.639 927 1HB ALA 51 2HB ALA 51 15.680 3.130 -3.634 928 2HB ALA 51 3HB ALA 51 17.082 3.348 -2.590 929 3HB ALA 51 1HB ALA 51 16.980 1.939 -3.643 930 H ASN 52 H ASN 52 13.793 2.000 -0.206 931 HA ASN 52 HA ASN 52 13.465 3.136 1.811 932 1HB ASN 52 1HB ASN 52 15.794 2.198 2.235 933 2HB ASN 52 2HB ASN 52 16.421 3.760 1.696 934 1HD2 ASN 52 2HD2 ASN 52 14.815 2.970 5.256 935 2HD2 ASN 52 1HD2 ASN 52 13.597 3.025 4.075 936 HA PRO 53 HA PRO 53 13.184 7.347 0.395 937 1HB PRO 53 1HB PRO 53 11.905 8.341 2.653 938 2HB PRO 53 2HB PRO 53 11.087 7.484 1.335 939 1HG PRO 53 1HG PRO 53 11.674 6.555 4.085 940 2HG PRO 53 2HG PRO 53 10.522 5.904 2.912 941 1HD PRO 53 1HD PRO 53 13.103 4.845 3.587 942 2HD PRO 53 2HD PRO 53 11.990 4.246 2.366 943 H GLU 54 H GLU 54 14.064 6.831 3.835 944 HA GLU 54 HA GLU 54 15.709 9.301 3.777 945 1HB GLU 54 1HB GLU 54 14.014 8.614 5.649 946 2HB GLU 54 2HB GLU 54 15.320 7.566 6.201 947 1HG GLU 54 1HG GLU 54 16.237 9.348 7.228 948 2HG GLU 54 2HG GLU 54 16.518 10.060 5.640 949 H LYS 55 H LYS 55 16.790 7.124 2.293 950 HA LYS 55 HA LYS 55 18.894 5.990 4.048 951 1HB LYS 55 1HB LYS 55 17.691 5.238 1.495 952 2HB LYS 55 2HB LYS 55 19.435 5.164 1.454 953 1HG LYS 55 1HG LYS 55 17.931 3.988 3.776 954 2HG LYS 55 2HG LYS 55 18.121 3.070 2.284 955 1HD LYS 55 1HD LYS 55 20.364 2.764 2.598 956 2HD LYS 55 2HD LYS 55 20.581 4.352 3.333 957 1HE LYS 55 1HE LYS 55 19.289 3.408 5.347 958 2HE LYS 55 2HE LYS 55 19.548 1.821 4.623 959 1HZ LYS 55 3HZ LYS 55 22.000 2.792 4.482 960 2HZ LYS 55 1HZ LYS 55 21.460 3.638 5.853 961 3HZ LYS 55 2HZ LYS 55 21.429 1.940 5.837 962 H LYS 56 H LYS 56 18.628 8.904 3.082 963 HA LYS 56 HA LYS 56 20.097 10.613 2.495 964 1HB LYS 56 1HB LYS 56 21.581 9.598 4.139 965 2HB LYS 56 2HB LYS 56 22.146 8.425 2.954 966 1HG LYS 56 1HG LYS 56 23.721 9.891 2.287 967 2HG LYS 56 2HG LYS 56 22.450 11.011 1.797 968 1HD LYS 56 1HD LYS 56 22.389 11.447 4.452 969 2HD LYS 56 2HD LYS 56 24.077 10.959 4.293 970 1HE LYS 56 1HE LYS 56 22.728 13.131 2.659 971 2HE LYS 56 2HE LYS 56 23.800 13.413 4.031 972 1HZ LYS 56 1HZ LYS 56 25.534 12.174 2.821 973 2HZ LYS 56 2HZ LYS 56 24.500 12.073 1.477 974 3HZ LYS 56 3HZ LYS 56 25.048 13.588 2.015 975 H TRP 57 H TRP 57 22.204 8.166 1.063 976 HA TRP 57 HA TRP 57 22.611 9.408 -1.371 977 1HB TRP 57 1HB TRP 57 23.247 7.234 -2.259 978 2HB TRP 57 2HB TRP 57 23.811 7.383 -0.591 979 HD1 TRP 57 HD1 TRP 57 22.905 5.595 1.079 980 HE1 TRP 57 HE1 TRP 57 21.288 3.598 0.822 981 HE3 TRP 57 HE3 TRP 57 21.154 6.573 -3.560 982 HZ2 TRP 57 HZ2 TRP 57 19.489 2.528 -1.183 983 HZ3 TRP 57 HZ3 TRP 57 19.622 5.033 -4.699 984 HH2 TRP 57 HH2 TRP 57 18.766 3.013 -3.521 985 H VAL 58 H VAL 58 19.766 7.481 -0.525 986 HA VAL 58 HA VAL 58 18.737 7.102 -3.130 987 HB VAL 58 HB VAL 58 16.427 7.485 -1.891 988 1HG1 VAL 58 1HG1 VAL 58 17.770 5.364 -2.679 989 2HG1 VAL 58 2HG1 VAL 58 17.978 5.128 -0.943 990 3HG1 VAL 58 3HG1 VAL 58 16.358 5.209 -1.640 991 1HG2 VAL 58 2HG2 VAL 58 17.621 8.487 0.092 992 2HG2 VAL 58 3HG2 VAL 58 16.487 7.183 0.442 993 3HG2 VAL 58 1HG2 VAL 58 18.221 6.865 0.431 994 H ARG 59 H ARG 59 18.224 9.938 -0.988 995 HA ARG 59 HA ARG 59 16.603 11.321 -2.927 996 1HB ARG 59 1HB ARG 59 17.251 13.380 -1.563 997 2HB ARG 59 2HB ARG 59 16.446 12.106 -0.682 998 1HG ARG 59 2HG ARG 59 18.423 11.415 0.375 999 2HG ARG 59 1HG ARG 59 19.442 12.173 -0.826 1000 1HD ARG 59 1HD ARG 59 17.653 14.036 0.594 1001 2HD ARG 59 2HD ARG 59 18.863 13.266 1.618 1002 HE ARG 59 HE ARG 59 19.953 14.358 -0.868 1003 1HH1 ARG 59 2HH2 ARG 59 20.427 14.173 2.397 1004 2HH1 ARG 59 1HH2 ARG 59 20.729 15.854 2.684 1005 1HH2 ARG 59 2HH1 ARG 59 19.625 17.097 -0.054 1006 2HH2 ARG 59 1HH1 ARG 59 21.300 16.967 0.367 1007 H GLU 60 H GLU 60 20.060 11.083 -2.351 1008 HA GLU 60 HA GLU 60 20.842 13.235 -4.114 1009 1HB GLU 60 2HB GLU 60 22.198 10.916 -2.826 1010 2HB GLU 60 1HB GLU 60 22.977 11.609 -4.228 1011 1HG GLU 60 2HG GLU 60 22.428 13.885 -2.954 1012 2HG GLU 60 1HG GLU 60 22.464 12.833 -1.560 1013 H TYR 61 H TYR 61 19.566 10.102 -4.631 1014 HA TYR 61 HA TYR 61 20.601 9.905 -7.392 1015 1HB TYR 61 1HB TYR 61 19.289 8.086 -5.450 1016 2HB TYR 61 2HB TYR 61 18.848 7.843 -7.122 1017 HD1 TYR 61 HD2 TYR 61 21.735 8.034 -4.775 1018 HD2 TYR 61 HD1 TYR 61 20.365 6.866 -8.695 1019 HE1 TYR 61 HE2 TYR 61 23.885 6.846 -5.167 1020 HE2 TYR 61 HE1 TYR 61 22.510 5.668 -9.082 1021 HH TYR 61 HH TYR 61 25.225 6.191 -7.504 1022 H ILE 62 H ILE 62 17.722 10.654 -5.550 1023 HA ILE 62 HA ILE 62 15.796 10.526 -7.647 1024 HB ILE 62 HB ILE 62 15.946 12.275 -5.172 1025 1HG1 ILE 62 2HG1 ILE 62 14.321 9.786 -5.733 1026 2HG1 ILE 62 1HG1 ILE 62 15.853 9.767 -4.898 1027 1HG2 ILE 62 1HG2 ILE 62 14.188 12.446 -7.417 1028 2HG2 ILE 62 2HG2 ILE 62 13.271 11.804 -6.054 1029 3HG2 ILE 62 3HG2 ILE 62 14.114 13.346 -5.903 1030 1HD1 ILE 62 3HD1 ILE 62 14.707 11.628 -3.405 1031 2HD1 ILE 62 1HD1 ILE 62 13.225 10.879 -3.998 1032 3HD1 ILE 62 2HD1 ILE 62 14.398 9.920 -3.095 1033 H ASN 63 H ASN 63 17.915 13.181 -6.560 1034 HA ASN 63 HA ASN 63 16.922 14.919 -8.726 1035 1HB ASN 63 1HB ASN 63 18.117 15.358 -6.216 1036 2HB ASN 63 2HB ASN 63 19.295 15.895 -7.388 1037 1HD2 ASN 63 1HD2 ASN 63 17.801 18.569 -8.568 1038 2HD2 ASN 63 2HD2 ASN 63 18.756 18.405 -7.175 1039 H SER 64 H SER 64 19.763 12.972 -7.954 1040 HA SER 64 HA SER 64 21.513 13.960 -9.966 1041 1HB SER 64 1HB SER 64 22.342 12.455 -8.253 1042 2HB SER 64 2HB SER 64 21.244 11.181 -8.783 1043 HG SER 64 HG SER 64 23.623 12.060 -9.884 1044 H LEU 65 H LEU 65 18.706 11.898 -10.163 1045 HA LEU 65 HA LEU 65 19.333 10.852 -12.812 1046 1HB LEU 65 1HB LEU 65 16.893 10.836 -11.052 1047 2HB LEU 65 2HB LEU 65 16.792 10.301 -12.712 1048 HG LEU 65 HG LEU 65 18.934 9.230 -10.888 1049 1HD1 LEU 65 3HD1 LEU 65 16.566 8.960 -9.914 1050 2HD1 LEU 65 1HD1 LEU 65 16.247 7.906 -11.291 1051 3HD1 LEU 65 2HD1 LEU 65 17.508 7.484 -10.131 1052 1HD2 LEU 65 1HD2 LEU 65 18.427 8.942 -13.580 1053 2HD2 LEU 65 2HD2 LEU 65 19.341 7.795 -12.602 1054 3HD2 LEU 65 3HD2 LEU 65 17.624 7.526 -12.901 1055 H GLU 66 H GLU 66 16.400 12.684 -11.971 1056 HA GLU 66 HA GLU 66 16.384 13.933 -14.605 1057 1HB GLU 66 1HB GLU 66 14.488 13.441 -12.589 1058 2HB GLU 66 2HB GLU 66 14.617 15.197 -12.681 1059 1HG GLU 66 1HG GLU 66 12.962 14.606 -14.292 1060 2HG GLU 66 2HG GLU 66 14.426 14.922 -15.225 1061 H MET 67 H MET 67 15.561 16.539 -14.069 1062 HA MET 67 HA MET 67 18.109 17.716 -13.070 1063 1HB MET 67 1HB MET 67 15.972 18.645 -14.974 1064 2HB MET 67 2HB MET 67 17.026 19.823 -14.192 1065 1HG MET 67 1HG MET 67 18.091 17.402 -15.664 1066 2HG MET 67 2HG MET 67 17.830 18.958 -16.453 1067 1HE MET 67 1HE MET 67 20.281 17.532 -16.601 1068 2HE MET 67 3HE MET 67 20.630 19.202 -17.047 1069 3HE MET 67 2HE MET 67 21.676 18.359 -15.905 1070 H SER 68 H SER 68 14.693 17.518 -12.416 1071 HA SER 68 HA SER 68 14.959 18.546 -9.770 1072 1HB SER 68 1HB SER 68 13.428 20.646 -10.384 1073 2HB SER 68 2HB SER 68 15.188 20.754 -10.416 1074 HG SER 68 HG SER 68 14.197 21.542 -12.338 No H/Q in entry = 1074
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