NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
2241 | 1blj | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 3H GLY 1 -28.948 15.348 -19.727 2 2H GLY 1 2H GLY 1 -27.460 14.540 -19.787 3 3H GLY 1 1H GLY 1 -28.593 14.320 -21.034 4 1HA GLY 1 2HA GLY 1 -30.121 13.297 -19.525 5 2HA GLY 1 1HA GLY 1 -28.536 12.434 -19.591 6 H SER 2 H SER 2 -29.399 11.531 -17.550 7 HA SER 2 HA SER 2 -29.589 13.235 -15.237 8 1HB SER 2 2HB SER 2 -30.711 11.155 -15.022 9 2HB SER 2 1HB SER 2 -29.513 10.236 -15.769 10 HG SER 2 HG SER 2 -28.349 10.961 -13.165 11 H VAL 3 H VAL 3 -28.262 13.361 -13.516 12 HA VAL 3 HA VAL 3 -25.388 13.319 -14.085 13 HB VAL 3 HB VAL 3 -27.045 14.221 -11.663 14 1HG1 VAL 3 2HG1 VAL 3 -24.104 14.795 -12.262 15 2HG1 VAL 3 1HG1 VAL 3 -25.032 15.512 -10.947 16 3HG1 VAL 3 3HG1 VAL 3 -24.717 13.785 -10.955 17 1HG2 VAL 3 1HG2 VAL 3 -25.881 15.905 -13.936 18 2HG2 VAL 3 3HG2 VAL 3 -27.591 15.596 -13.646 19 3HG2 VAL 3 2HG2 VAL 3 -26.669 16.551 -12.500 20 H ALA 4 H ALA 4 -24.051 11.713 -13.379 21 HA ALA 4 HA ALA 4 -25.314 9.551 -11.847 22 1HB ALA 4 2HB ALA 4 -23.930 9.009 -13.854 23 2HB ALA 4 1HB ALA 4 -22.508 9.702 -13.082 24 3HB ALA 4 3HB ALA 4 -23.263 8.265 -12.405 25 HA PRO 5 HA PRO 5 -23.437 11.052 -8.076 26 1HB PRO 5 2HB PRO 5 -23.565 8.792 -6.479 27 2HB PRO 5 1HB PRO 5 -24.988 9.698 -6.971 28 1HG PRO 5 2HG PRO 5 -23.932 7.171 -8.213 29 2HG PRO 5 1HG PRO 5 -25.612 7.558 -7.816 30 1HD PRO 5 1HD PRO 5 -24.606 7.835 -10.372 31 2HD PRO 5 2HD PRO 5 -25.884 8.899 -9.745 32 H VAL 6 H VAL 6 -21.433 11.569 -8.225 33 HA VAL 6 HA VAL 6 -19.212 11.576 -8.071 34 HB VAL 6 HB VAL 6 -19.302 8.647 -7.223 35 1HG1 VAL 6 3HG1 VAL 6 -17.003 9.572 -7.844 36 2HG1 VAL 6 2HG1 VAL 6 -17.209 10.768 -6.585 37 3HG1 VAL 6 1HG1 VAL 6 -17.151 9.057 -6.173 38 1HG2 VAL 6 2HG2 VAL 6 -19.507 11.153 -5.483 39 2HG2 VAL 6 1HG2 VAL 6 -20.771 9.945 -5.709 40 3HG2 VAL 6 3HG2 VAL 6 -19.289 9.513 -4.881 41 H GLU 7 H GLU 7 -18.744 11.975 -10.142 42 HA GLU 7 HA GLU 7 -18.803 9.977 -12.187 43 1HB GLU 7 2HB GLU 7 -17.400 12.706 -12.078 44 2HB GLU 7 1HB GLU 7 -17.583 11.783 -13.543 45 1HG GLU 7 2HG GLU 7 -19.897 12.907 -11.869 46 2HG GLU 7 1HG GLU 7 -19.276 13.606 -13.341 47 H THR 8 H THR 8 -17.694 8.297 -11.840 48 HA THR 8 HA THR 8 -15.014 8.262 -10.784 49 HB THR 8 HB THR 8 -16.301 5.799 -11.975 50 HG1 THR 8 HG1 THR 8 -17.970 7.207 -9.943 51 1HG2 THR 8 2HG2 THR 8 -14.960 6.324 -9.278 52 2HG2 THR 8 1HG2 THR 8 -15.664 4.782 -9.786 53 3HG2 THR 8 3HG2 THR 8 -14.357 5.503 -10.697 54 H LEU 9 H LEU 9 -13.216 7.460 -11.616 55 HA LEU 9 HA LEU 9 -12.971 7.407 -14.593 56 1HB LEU 9 2HB LEU 9 -10.845 8.186 -12.507 57 2HB LEU 9 1HB LEU 9 -10.614 8.124 -14.224 58 HG LEU 9 HG LEU 9 -10.844 10.362 -13.741 59 1HD1 LEU 9 3HD1 LEU 9 -12.219 9.719 -15.701 60 2HD1 LEU 9 2HD1 LEU 9 -13.651 9.640 -14.674 61 3HD1 LEU 9 1HD1 LEU 9 -12.823 11.171 -14.909 62 1HD2 LEU 9 3HD2 LEU 9 -11.766 10.150 -11.415 63 2HD2 LEU 9 2HD2 LEU 9 -12.504 11.452 -12.340 64 3HD2 LEU 9 1HD2 LEU 9 -13.382 9.961 -12.086 65 H GLU 10 H GLU 10 -11.591 6.240 -11.563 66 HA GLU 10 HA GLU 10 -11.462 3.492 -12.532 67 1HB GLU 10 2HB GLU 10 -8.997 5.198 -12.016 68 2HB GLU 10 1HB GLU 10 -8.918 3.553 -11.470 69 1HG GLU 10 2HG GLU 10 -9.557 4.303 -14.368 70 2HG GLU 10 1HG GLU 10 -7.966 3.901 -13.763 71 H VAL 11 H VAL 11 -9.580 4.834 -9.947 72 HA VAL 11 HA VAL 11 -9.435 4.527 -7.789 73 HB VAL 11 HB VAL 11 -11.241 5.080 -6.338 74 1HG1 VAL 11 1HG1 VAL 11 -10.105 6.911 -7.527 75 2HG1 VAL 11 3HG1 VAL 11 -11.302 6.840 -8.823 76 3HG1 VAL 11 2HG1 VAL 11 -11.788 7.311 -7.199 77 1HG2 VAL 11 1HG2 VAL 11 -13.103 3.784 -7.513 78 2HG2 VAL 11 3HG2 VAL 11 -13.549 5.416 -7.024 79 3HG2 VAL 11 2HG2 VAL 11 -13.164 5.079 -8.700 80 H GLU 12 H GLU 12 -10.086 2.142 -9.525 81 HA GLU 12 HA GLU 12 -10.594 0.228 -7.302 82 1HB GLU 12 2HB GLU 12 -11.495 0.054 -10.229 83 2HB GLU 12 1HB GLU 12 -11.495 -1.303 -9.130 84 1HG GLU 12 2HG GLU 12 -13.026 0.049 -7.574 85 2HG GLU 12 1HG GLU 12 -13.186 1.231 -8.865 86 H LYS 13 H LYS 13 -9.213 -1.159 -6.999 87 HA LYS 13 HA LYS 13 -7.447 -2.443 -6.950 88 1HB LYS 13 2HB LYS 13 -7.868 -2.542 -9.936 89 2HB LYS 13 1HB LYS 13 -6.679 -3.528 -9.113 90 1HG LYS 13 2HG LYS 13 -9.678 -3.526 -8.528 91 2HG LYS 13 1HG LYS 13 -8.804 -4.752 -9.407 92 1HD LYS 13 2HD LYS 13 -7.312 -4.940 -7.224 93 2HD LYS 13 1HD LYS 13 -8.613 -4.099 -6.437 94 1HE LYS 13 1HE LYS 13 -8.982 -6.682 -7.987 95 2HE LYS 13 2HE LYS 13 -8.723 -6.587 -6.250 96 1HZ LYS 13 3HZ LYS 13 -10.932 -5.249 -7.628 97 2HZ LYS 13 2HZ LYS 13 -11.025 -6.796 -6.919 98 3HZ LYS 13 1HZ LYS 13 -10.699 -5.422 -5.957 99 H TRP 14 H TRP 14 -6.653 -0.176 -9.765 100 HA TRP 14 HA TRP 14 -3.976 -0.338 -8.852 101 1HB TRP 14 2HB TRP 14 -3.189 1.117 -10.364 102 2HB TRP 14 1HB TRP 14 -4.575 0.488 -11.176 103 HD1 TRP 14 HD1 TRP 14 -5.949 2.304 -12.430 104 HE1 TRP 14 HE1 TRP 14 -5.841 4.837 -12.554 105 HE3 TRP 14 HE3 TRP 14 -2.995 3.241 -8.338 106 HZ2 TRP 14 HZ2 TRP 14 -4.478 6.986 -11.136 107 HZ3 TRP 14 HZ3 TRP 14 -2.446 5.564 -7.743 108 HH2 TRP 14 HH2 TRP 14 -3.257 7.425 -9.123 109 H PHE 15 H PHE 15 -6.532 2.078 -8.310 110 HA PHE 15 HA PHE 15 -4.822 3.196 -6.183 111 1HB PHE 15 2HB PHE 15 -5.943 4.719 -7.907 112 2HB PHE 15 1HB PHE 15 -7.446 4.395 -7.092 113 HD1 PHE 15 HD2 PHE 15 -3.907 5.054 -5.889 114 HD2 PHE 15 HD1 PHE 15 -8.047 6.188 -5.746 115 HE1 PHE 15 HE2 PHE 15 -3.392 6.807 -4.239 116 HE2 PHE 15 HE1 PHE 15 -7.505 7.945 -4.111 117 HZ PHE 15 HZ PHE 15 -5.171 8.249 -3.352 118 H PHE 16 H PHE 16 -4.825 1.869 -4.643 119 HA PHE 16 HA PHE 16 -7.351 1.276 -3.184 120 1HB PHE 16 2HB PHE 16 -5.057 -0.475 -4.052 121 2HB PHE 16 1HB PHE 16 -5.318 -0.632 -2.352 122 HD1 PHE 16 HD2 PHE 16 -8.089 -0.023 -4.853 123 HD2 PHE 16 HD1 PHE 16 -6.041 -2.829 -2.354 124 HE1 PHE 16 HE2 PHE 16 -9.912 -1.622 -5.166 125 HE2 PHE 16 HE1 PHE 16 -7.889 -4.440 -2.680 126 HZ PHE 16 HZ PHE 16 -9.823 -3.831 -4.103 127 H ARG 17 H ARG 17 -6.705 0.613 -0.906 128 HA ARG 17 HA ARG 17 -5.046 2.815 0.242 129 1HB ARG 17 2HB ARG 17 -7.697 1.553 1.104 130 2HB ARG 17 1HB ARG 17 -6.710 2.315 2.313 131 1HG ARG 17 2HG ARG 17 -6.628 4.402 1.043 132 2HG ARG 17 1HG ARG 17 -7.659 3.730 -0.209 133 1HD ARG 17 2HD ARG 17 -8.390 4.229 2.723 134 2HD ARG 17 1HD ARG 17 -9.025 5.116 1.340 135 HE ARG 17 HE ARG 17 -9.952 2.645 2.429 136 1HH1 ARG 17 1HH2 ARG 17 -9.594 4.330 -0.655 137 2HH1 ARG 17 2HH2 ARG 17 -10.970 3.556 -1.373 138 1HH2 ARG 17 2HH1 ARG 17 -11.748 1.662 1.459 139 2HH2 ARG 17 1HH1 ARG 17 -12.173 2.026 -0.177 140 H THR 18 H THR 18 -4.832 2.096 2.673 141 HA THR 18 HA THR 18 -2.734 0.267 2.748 142 HB THR 18 HB THR 18 -2.577 1.960 4.300 143 HG1 THR 18 HG1 THR 18 -3.095 -0.464 5.951 144 1HG2 THR 18 1HG2 THR 18 -5.477 1.497 5.239 145 2HG2 THR 18 3HG2 THR 18 -4.319 2.627 5.983 146 3HG2 THR 18 2HG2 THR 18 -4.835 2.811 4.339 147 H ILE 19 H ILE 19 -3.966 -1.356 1.789 148 HA ILE 19 HA ILE 19 -5.565 -3.125 3.519 149 HB ILE 19 HB ILE 19 -5.728 -2.810 0.937 150 1HG1 ILE 19 1HG1 ILE 19 -5.717 -5.553 2.069 151 2HG1 ILE 19 2HG1 ILE 19 -7.059 -4.475 1.955 152 1HG2 ILE 19 2HG2 ILE 19 -3.182 -3.189 0.590 153 2HG2 ILE 19 1HG2 ILE 19 -3.635 -4.907 0.608 154 3HG2 ILE 19 3HG2 ILE 19 -4.343 -3.776 -0.588 155 1HD1 ILE 19 3HD1 ILE 19 -6.927 -4.526 -0.566 156 2HD1 ILE 19 2HD1 ILE 19 -5.609 -5.685 -0.484 157 3HD1 ILE 19 1HD1 ILE 19 -7.215 -6.129 0.099 158 H SER 20 H SER 20 -4.557 -5.418 3.838 159 HA SER 20 HA SER 20 -1.941 -4.785 4.994 160 1HB SER 20 2HB SER 20 -3.148 -6.628 6.090 161 2HB SER 20 1HB SER 20 -3.327 -7.488 4.649 162 HG SER 20 HG SER 20 -0.419 -7.517 5.248 163 H ARG 21 H ARG 21 0.029 -5.556 4.351 164 HA ARG 21 HA ARG 21 0.737 -5.418 1.724 165 1HB ARG 21 2HB ARG 21 2.198 -5.544 3.918 166 2HB ARG 21 1HB ARG 21 2.428 -7.226 3.524 167 1HG ARG 21 2HG ARG 21 3.429 -6.619 1.348 168 2HG ARG 21 1HG ARG 21 3.017 -4.939 1.590 169 1HD ARG 21 2HD ARG 21 4.500 -4.910 3.662 170 2HD ARG 21 1HD ARG 21 5.056 -6.537 3.224 171 HE ARG 21 HE ARG 21 5.388 -4.952 0.949 172 1HH1 ARG 21 1HH2 ARG 21 6.530 -5.011 4.282 173 2HH1 ARG 21 2HH2 ARG 21 8.030 -4.222 3.928 174 1HH2 ARG 21 2HH1 ARG 21 7.372 -3.902 0.514 175 2HH2 ARG 21 1HH1 ARG 21 8.509 -3.601 1.786 176 H LYS 22 H LYS 22 0.114 -8.498 3.535 177 HA LYS 22 HA LYS 22 0.465 -10.038 1.149 178 1HB LYS 22 2HB LYS 22 -0.516 -11.907 2.236 179 2HB LYS 22 1HB LYS 22 0.752 -11.189 3.187 180 1HG LYS 22 2HG LYS 22 -1.504 -12.147 4.131 181 2HG LYS 22 1HG LYS 22 -0.700 -10.808 4.941 182 1HD LYS 22 2HD LYS 22 -2.430 -9.395 3.727 183 2HD LYS 22 1HD LYS 22 -3.136 -10.899 3.184 184 1HE LYS 22 1HE LYS 22 -3.337 -11.616 5.631 185 2HE LYS 22 2HE LYS 22 -2.719 -10.049 6.110 186 1HZ LYS 22 1HZ LYS 22 -4.641 -9.031 5.112 187 2HZ LYS 22 3HZ LYS 22 -5.230 -10.539 4.661 188 3HZ LYS 22 2HZ LYS 22 -5.062 -10.161 6.309 189 H ASP 23 H ASP 23 -2.074 -8.089 2.106 190 HA ASP 23 HA ASP 23 -4.051 -9.798 1.062 191 1HB ASP 23 2HB ASP 23 -4.195 -6.878 1.981 192 2HB ASP 23 1HB ASP 23 -5.505 -7.447 1.021 193 H ALA 24 H ALA 24 -2.544 -6.909 0.142 194 HA ALA 24 HA ALA 24 -3.802 -6.349 -2.407 195 1HB ALA 24 2HB ALA 24 -1.104 -5.583 -1.156 196 2HB ALA 24 1HB ALA 24 -1.606 -4.952 -2.728 197 3HB ALA 24 3HB ALA 24 -2.565 -4.622 -1.311 198 H GLU 25 H GLU 25 -1.185 -8.368 -1.350 199 HA GLU 25 HA GLU 25 -0.088 -8.980 -3.888 200 1HB GLU 25 2HB GLU 25 0.088 -10.004 -1.012 201 2HB GLU 25 1HB GLU 25 0.882 -10.888 -2.251 202 1HG GLU 25 2HG GLU 25 2.233 -9.279 -0.807 203 2HG GLU 25 1HG GLU 25 2.597 -9.343 -2.491 204 H ARG 26 H ARG 26 -2.644 -10.212 -1.770 205 HA ARG 26 HA ARG 26 -2.761 -12.844 -2.832 206 1HB ARG 26 2HB ARG 26 -4.563 -13.166 -1.375 207 2HB ARG 26 1HB ARG 26 -3.802 -11.785 -0.657 208 1HG ARG 26 2HG ARG 26 -5.658 -10.480 -2.191 209 2HG ARG 26 1HG ARG 26 -6.441 -12.005 -2.038 210 1HD ARG 26 2HD ARG 26 -6.052 -11.642 0.583 211 2HD ARG 26 1HD ARG 26 -5.832 -9.955 0.129 212 HE ARG 26 HE ARG 26 -8.280 -11.520 0.024 213 1HH1 ARG 26 1HH2 ARG 26 -6.557 -8.648 -1.016 214 2HH1 ARG 26 2HH2 ARG 26 -7.985 -7.704 -1.294 215 1HH2 ARG 26 2HH1 ARG 26 -10.174 -10.273 -0.351 216 2HH2 ARG 26 1HH1 ARG 26 -10.046 -8.644 -0.920 217 H GLN 27 H GLN 27 -4.096 -9.821 -3.639 218 HA GLN 27 HA GLN 27 -6.005 -10.881 -5.603 219 1HB GLN 27 2HB GLN 27 -5.213 -7.952 -5.310 220 2HB GLN 27 1HB GLN 27 -6.616 -8.594 -6.139 221 1HG GLN 27 2HG GLN 27 -7.005 -9.759 -3.688 222 2HG GLN 27 1HG GLN 27 -6.102 -8.340 -3.179 223 1HE2 GLN 27 2HE2 GLN 27 -9.941 -8.186 -4.739 224 2HE2 GLN 27 1HE2 GLN 27 -8.880 -9.517 -5.015 225 H LEU 28 H LEU 28 -2.681 -9.778 -5.819 226 HA LEU 28 HA LEU 28 -2.835 -9.629 -8.727 227 1HB LEU 28 2HB LEU 28 -0.480 -9.377 -6.806 228 2HB LEU 28 1HB LEU 28 -0.356 -9.051 -8.526 229 HG LEU 28 HG LEU 28 -2.347 -7.600 -6.798 230 1HD1 LEU 28 3HD1 LEU 28 -0.041 -7.205 -6.029 231 2HD1 LEU 28 2HD1 LEU 28 0.460 -6.794 -7.665 232 3HD1 LEU 28 1HD1 LEU 28 -0.715 -5.765 -6.831 233 1HD2 LEU 28 2HD2 LEU 28 -1.381 -7.464 -9.672 234 2HD2 LEU 28 1HD2 LEU 28 -3.019 -7.545 -9.112 235 3HD2 LEU 28 3HD2 LEU 28 -2.118 -6.052 -8.888 236 H LEU 29 H LEU 29 -1.513 -11.804 -6.271 237 HA LEU 29 HA LEU 29 -0.220 -13.649 -7.951 238 1HB LEU 29 2HB LEU 29 -1.497 -13.904 -5.206 239 2HB LEU 29 1HB LEU 29 -0.604 -15.218 -5.904 240 HG LEU 29 HG LEU 29 0.708 -12.475 -5.629 241 1HD1 LEU 29 1HD1 LEU 29 -0.267 -13.156 -3.397 242 2HD1 LEU 29 3HD1 LEU 29 0.679 -14.628 -3.467 243 3HD1 LEU 29 2HD1 LEU 29 1.492 -13.063 -3.401 244 1HD2 LEU 29 3HD2 LEU 29 1.894 -14.377 -6.960 245 2HD2 LEU 29 2HD2 LEU 29 2.791 -13.848 -5.547 246 3HD2 LEU 29 1HD2 LEU 29 1.860 -15.339 -5.520 247 H ALA 30 H ALA 30 -3.587 -13.010 -7.642 248 HA ALA 30 HA ALA 30 -4.605 -15.629 -8.031 249 1HB ALA 30 1HB ALA 30 -5.771 -12.913 -8.905 250 2HB ALA 30 3HB ALA 30 -6.675 -14.423 -8.844 251 3HB ALA 30 2HB ALA 30 -6.054 -13.708 -7.358 252 HA PRO 31 HA PRO 31 -3.441 -16.339 -12.277 253 1HB PRO 31 2HB PRO 31 -5.221 -18.350 -12.955 254 2HB PRO 31 1HB PRO 31 -3.870 -18.563 -11.851 255 1HG PRO 31 2HG PRO 31 -6.726 -17.990 -11.109 256 2HG PRO 31 1HG PRO 31 -5.655 -19.221 -10.405 257 1HD PRO 31 1HD PRO 31 -6.075 -16.838 -9.178 258 2HD PRO 31 2HD PRO 31 -4.469 -17.618 -9.146 259 H MET 32 H MET 32 -6.273 -14.704 -11.378 260 HA MET 32 HA MET 32 -7.692 -14.619 -13.782 261 1HB MET 32 2HB MET 32 -7.543 -13.092 -11.153 262 2HB MET 32 1HB MET 32 -8.728 -12.730 -12.351 263 1HG MET 32 2HG MET 32 -9.506 -15.167 -12.245 264 2HG MET 32 1HG MET 32 -8.443 -15.399 -10.889 265 1HE MET 32 1HE MET 32 -9.082 -15.210 -8.676 266 2HE MET 32 3HE MET 32 -8.725 -13.480 -8.619 267 3HE MET 32 2HE MET 32 -10.249 -14.108 -7.942 268 H ASN 33 H ASN 33 -4.887 -13.014 -12.494 269 HA ASN 33 HA ASN 33 -4.924 -11.063 -14.732 270 1HB ASN 33 2HB ASN 33 -3.769 -10.426 -11.949 271 2HB ASN 33 1HB ASN 33 -4.097 -9.319 -13.278 272 1HD2 ASN 33 2HD2 ASN 33 -7.669 -9.412 -12.929 273 2HD2 ASN 33 1HD2 ASN 33 -6.464 -9.611 -14.136 274 H LYS 34 H LYS 34 -2.487 -9.885 -14.231 275 HA LYS 34 HA LYS 34 -0.346 -11.682 -13.971 276 1HB LYS 34 2HB LYS 34 0.384 -11.814 -16.414 277 2HB LYS 34 1HB LYS 34 -1.004 -12.756 -16.008 278 1HG LYS 34 2HG LYS 34 -1.661 -11.798 -18.005 279 2HG LYS 34 1HG LYS 34 -2.454 -10.760 -16.855 280 1HD LYS 34 2HD LYS 34 -0.454 -9.181 -17.083 281 2HD LYS 34 1HD LYS 34 0.124 -10.174 -18.375 282 1HE LYS 34 1HE LYS 34 -2.623 -8.800 -18.349 283 2HE LYS 34 2HE LYS 34 -1.201 -8.174 -19.169 284 1HZ LYS 34 1HZ LYS 34 -1.178 -10.184 -20.509 285 2HZ LYS 34 3HZ LYS 34 -2.612 -10.688 -19.755 286 3HZ LYS 34 2HZ LYS 34 -2.592 -9.263 -20.678 287 H ALA 35 H ALA 35 1.624 -10.834 -14.382 288 HA ALA 35 HA ALA 35 2.550 -8.646 -13.471 289 1HB ALA 35 2HB ALA 35 3.414 -9.740 -16.209 290 2HB ALA 35 1HB ALA 35 4.414 -8.687 -15.219 291 3HB ALA 35 3HB ALA 35 3.985 -10.296 -14.642 292 H GLY 36 H GLY 36 1.906 -6.643 -13.407 293 1HA GLY 36 2HA GLY 36 1.987 -4.592 -14.559 294 2HA GLY 36 1HA GLY 36 1.026 -5.276 -15.895 295 H SER 37 H SER 37 -0.704 -6.775 -14.043 296 HA SER 37 HA SER 37 -2.580 -4.897 -13.100 297 1HB SER 37 1HB SER 37 -3.194 -6.983 -11.524 298 2HB SER 37 2HB SER 37 -3.587 -7.125 -13.133 299 HG SER 37 HG SER 37 -0.966 -8.364 -13.008 300 H PHE 38 H PHE 38 -2.496 -3.615 -11.245 301 HA PHE 38 HA PHE 38 -0.442 -4.354 -9.183 302 1HB PHE 38 2HB PHE 38 -1.024 -1.601 -10.572 303 2HB PHE 38 1HB PHE 38 -0.219 -1.658 -9.059 304 HD1 PHE 38 HD1 PHE 38 0.870 -4.045 -11.777 305 HD2 PHE 38 HD2 PHE 38 1.456 -0.297 -9.856 306 HE1 PHE 38 HE1 PHE 38 3.009 -3.749 -12.914 307 HE2 PHE 38 HE2 PHE 38 3.696 -0.149 -10.777 308 HZ PHE 38 HZ PHE 38 4.492 -1.896 -12.333 309 H LEU 39 H LEU 39 -0.629 -2.931 -7.392 310 HA LEU 39 HA LEU 39 -3.242 -2.039 -6.267 311 1HB LEU 39 2HB LEU 39 -1.062 -3.881 -5.268 312 2HB LEU 39 1HB LEU 39 -1.759 -2.878 -4.061 313 HG LEU 39 HG LEU 39 -2.561 -5.254 -4.371 314 1HD1 LEU 39 1HD1 LEU 39 -3.387 -3.383 -2.917 315 2HD1 LEU 39 3HD1 LEU 39 -4.423 -2.866 -4.206 316 3HD1 LEU 39 2HD1 LEU 39 -4.731 -4.445 -3.423 317 1HD2 LEU 39 3HD2 LEU 39 -3.122 -5.292 -6.712 318 2HD2 LEU 39 2HD2 LEU 39 -4.487 -5.623 -5.630 319 3HD2 LEU 39 1HD2 LEU 39 -4.386 -4.048 -6.457 320 H ILE 40 H ILE 40 -2.934 0.172 -5.486 321 HA ILE 40 HA ILE 40 -0.084 0.714 -4.641 322 HB ILE 40 HB ILE 40 -1.362 1.926 -6.841 323 1HG1 ILE 40 1HG1 ILE 40 0.354 3.854 -5.231 324 2HG1 ILE 40 2HG1 ILE 40 1.071 2.324 -5.653 325 1HG2 ILE 40 3HG2 ILE 40 -3.023 2.950 -5.312 326 2HG2 ILE 40 2HG2 ILE 40 -1.693 3.910 -4.631 327 3HG2 ILE 40 1HG2 ILE 40 -2.080 4.054 -6.326 328 1HD1 ILE 40 1HD1 ILE 40 0.573 2.602 -8.067 329 2HD1 ILE 40 3HD1 ILE 40 -0.181 4.121 -7.788 330 3HD1 ILE 40 2HD1 ILE 40 1.542 3.927 -7.465 331 H ARG 41 H ARG 41 -0.492 -0.090 -2.541 332 HA ARG 41 HA ARG 41 -2.820 0.846 -1.110 333 1HB ARG 41 2HB ARG 41 -2.122 -0.726 0.568 334 2HB ARG 41 1HB ARG 41 -1.981 -1.455 -0.991 335 1HG ARG 41 2HG ARG 41 -0.014 -2.173 -0.041 336 2HG ARG 41 1HG ARG 41 0.555 -0.713 -0.807 337 1HD ARG 41 2HD ARG 41 1.444 -0.676 1.446 338 2HD ARG 41 1HD ARG 41 0.066 0.456 1.498 339 HE ARG 41 HE ARG 41 -0.887 -2.080 2.201 340 1HH1 ARG 41 1HH2 ARG 41 1.389 0.359 3.339 341 2HH1 ARG 41 2HH2 ARG 41 1.202 -0.049 5.014 342 1HH2 ARG 41 2HH1 ARG 41 -1.136 -2.583 4.387 343 2HH2 ARG 41 1HH1 ARG 41 -0.259 -1.732 5.621 344 H GLU 42 H GLU 42 -2.697 2.127 0.911 345 HA GLU 42 HA GLU 42 -0.639 4.192 0.625 346 1HB GLU 42 2HB GLU 42 -1.949 5.625 1.880 347 2HB GLU 42 1HB GLU 42 -3.160 4.608 1.140 348 1HG GLU 42 2HG GLU 42 -3.421 3.350 3.082 349 2HG GLU 42 1HG GLU 42 -2.182 4.138 4.025 350 H SER 43 H SER 43 0.679 5.129 2.544 351 HA SER 43 HA SER 43 1.533 2.819 4.188 352 1HB SER 43 2HB SER 43 3.476 4.262 3.509 353 2HB SER 43 1HB SER 43 2.597 5.575 3.488 354 HG SER 43 HG SER 43 2.896 4.835 6.360 355 H GLU 44 H GLU 44 0.448 2.495 6.254 356 HA GLU 44 HA GLU 44 -1.698 4.385 6.716 357 1HB GLU 44 2HB GLU 44 -2.172 3.027 8.787 358 2HB GLU 44 1HB GLU 44 -2.353 2.391 7.190 359 1HG GLU 44 2HG GLU 44 -1.332 0.700 8.703 360 2HG GLU 44 1HG GLU 44 -0.245 1.072 7.390 361 H SER 45 H SER 45 1.464 4.741 7.417 362 HA SER 45 HA SER 45 1.041 6.685 9.645 363 1HB SER 45 2HB SER 45 3.402 6.135 10.191 364 2HB SER 45 1HB SER 45 2.563 4.674 9.985 365 HG SER 45 HG SER 45 3.938 5.357 7.398 366 H ASN 46 H ASN 46 0.738 6.831 6.569 367 HA ASN 46 HA ASN 46 3.031 8.061 5.511 368 1HB ASN 46 2HB ASN 46 1.913 8.089 3.521 369 2HB ASN 46 1HB ASN 46 1.277 6.758 4.243 370 1HD2 ASN 46 2HD2 ASN 46 -1.977 7.562 3.468 371 2HD2 ASN 46 1HD2 ASN 46 -0.739 6.389 3.658 372 H LYS 47 H LYS 47 3.585 9.895 4.899 373 HA LYS 47 HA LYS 47 2.109 12.232 5.575 374 1HB LYS 47 2HB LYS 47 4.429 13.354 5.077 375 2HB LYS 47 1HB LYS 47 4.036 12.585 6.584 376 1HG LYS 47 2HG LYS 47 6.255 11.882 5.937 377 2HG LYS 47 1HG LYS 47 5.124 10.550 5.989 378 1HD LYS 47 2HD LYS 47 6.401 10.220 3.977 379 2HD LYS 47 1HD LYS 47 4.796 10.747 3.560 380 1HE LYS 47 1HE LYS 47 6.110 13.210 3.668 381 2HE LYS 47 2HE LYS 47 7.425 12.170 3.177 382 1HZ LYS 47 2HZ LYS 47 5.991 11.451 1.329 383 2HZ LYS 47 1HZ LYS 47 4.859 12.618 1.853 384 3HZ LYS 47 3HZ LYS 47 6.379 13.105 1.319 385 H GLY 48 H GLY 48 0.912 10.957 3.929 386 1HA GLY 48 2HA GLY 48 -0.374 11.198 2.124 387 2HA GLY 48 1HA GLY 48 0.763 12.412 1.437 388 H ALA 49 H ALA 49 2.008 9.384 2.549 389 HA ALA 49 HA ALA 49 3.087 8.767 -0.095 390 1HB ALA 49 1HB ALA 49 4.458 8.770 2.184 391 2HB ALA 49 3HB ALA 49 3.694 7.199 2.502 392 3HB ALA 49 2HB ALA 49 4.732 7.434 1.096 393 H PHE 50 H PHE 50 3.202 6.699 -0.862 394 HA PHE 50 HA PHE 50 1.029 4.881 -0.109 395 1HB PHE 50 2HB PHE 50 1.477 6.109 -2.863 396 2HB PHE 50 1HB PHE 50 0.835 4.506 -2.753 397 HD1 PHE 50 HD2 PHE 50 0.202 8.019 -1.660 398 HD2 PHE 50 HD1 PHE 50 -1.388 4.072 -2.048 399 HE1 PHE 50 HE2 PHE 50 -2.038 8.871 -1.155 400 HE2 PHE 50 HE1 PHE 50 -3.633 4.931 -1.530 401 HZ PHE 50 HZ PHE 50 -3.962 7.338 -1.076 402 H SER 51 H SER 51 1.508 2.888 -1.876 403 HA SER 51 HA SER 51 4.279 2.077 -1.951 404 1HB SER 51 2HB SER 51 2.534 -0.048 -0.649 405 2HB SER 51 1HB SER 51 4.166 0.241 -0.473 406 HG SER 51 HG SER 51 2.685 2.392 0.993 407 H LEU 52 H LEU 52 4.260 -0.330 -3.050 408 HA LEU 52 HA LEU 52 1.788 -0.648 -4.637 409 1HB LEU 52 2HB LEU 52 3.207 1.298 -5.590 410 2HB LEU 52 1HB LEU 52 4.520 0.220 -5.839 411 HG LEU 52 HG LEU 52 3.344 -0.862 -7.678 412 1HD1 LEU 52 3HD1 LEU 52 0.971 0.410 -6.462 413 2HD1 LEU 52 2HD1 LEU 52 0.978 0.544 -8.172 414 3HD1 LEU 52 1HD1 LEU 52 1.104 -1.053 -7.443 415 1HD2 LEU 52 1HD2 LEU 52 3.164 2.207 -7.772 416 2HD2 LEU 52 3HD2 LEU 52 4.540 1.205 -8.236 417 3HD2 LEU 52 2HD2 LEU 52 3.049 1.193 -9.179 418 H SER 53 H SER 53 1.461 -2.517 -5.364 419 HA SER 53 HA SER 53 3.458 -4.719 -5.086 420 1HB SER 53 2HB SER 53 0.503 -5.207 -5.194 421 2HB SER 53 1HB SER 53 1.686 -6.036 -4.383 422 HG SER 53 HG SER 53 1.320 -3.468 -2.924 423 H VAL 54 H VAL 54 3.764 -6.036 -6.842 424 HA VAL 54 HA VAL 54 2.034 -5.663 -9.244 425 HB VAL 54 HB VAL 54 5.088 -5.429 -9.567 426 1HG1 VAL 54 2HG1 VAL 54 2.868 -5.482 -11.578 427 2HG1 VAL 54 1HG1 VAL 54 4.497 -4.811 -11.854 428 3HG1 VAL 54 3HG1 VAL 54 4.289 -6.493 -11.464 429 1HG2 VAL 54 3HG2 VAL 54 2.979 -3.310 -9.558 430 2HG2 VAL 54 2HG2 VAL 54 4.215 -3.459 -8.389 431 3HG2 VAL 54 1HG2 VAL 54 4.701 -3.099 -10.024 432 H LYS 55 H LYS 55 1.934 -7.576 -10.653 433 HA LYS 55 HA LYS 55 2.736 -9.862 -9.076 434 1HB LYS 55 2HB LYS 55 0.649 -9.223 -10.486 435 2HB LYS 55 1HB LYS 55 1.576 -9.821 -11.862 436 1HG LYS 55 2HG LYS 55 0.316 -11.203 -9.550 437 2HG LYS 55 1HG LYS 55 0.052 -11.477 -11.233 438 1HD LYS 55 2HD LYS 55 1.122 -13.381 -10.424 439 2HD LYS 55 1HD LYS 55 2.384 -12.554 -11.302 440 1HE LYS 55 1HE LYS 55 3.006 -13.529 -8.937 441 2HE LYS 55 2HE LYS 55 3.484 -11.913 -9.325 442 1HZ LYS 55 3HZ LYS 55 1.584 -11.107 -8.081 443 2HZ LYS 55 2HZ LYS 55 1.185 -12.708 -7.701 444 3HZ LYS 55 1HZ LYS 55 2.636 -12.044 -7.140 445 H ASP 56 H ASP 56 5.151 -10.069 -9.137 446 HA ASP 56 HA ASP 56 6.397 -9.957 -11.752 447 1HB ASP 56 2HB ASP 56 7.648 -9.000 -10.129 448 2HB ASP 56 1HB ASP 56 7.442 -10.306 -8.997 449 H ILE 57 H ILE 57 6.267 -11.407 -13.138 450 HA ILE 57 HA ILE 57 5.944 -14.239 -12.316 451 HB ILE 57 HB ILE 57 5.316 -12.889 -14.943 452 1HG1 ILE 57 1HG1 ILE 57 3.588 -13.876 -12.638 453 2HG1 ILE 57 2HG1 ILE 57 3.796 -12.214 -13.130 454 1HG2 ILE 57 3HG2 ILE 57 5.968 -15.324 -15.230 455 2HG2 ILE 57 2HG2 ILE 57 4.757 -15.767 -14.031 456 3HG2 ILE 57 1HG2 ILE 57 4.277 -15.073 -15.579 457 1HD1 ILE 57 1HD1 ILE 57 2.703 -12.757 -15.329 458 2HD1 ILE 57 3HD1 ILE 57 2.366 -14.377 -14.678 459 3HD1 ILE 57 2HD1 ILE 57 1.665 -12.954 -13.911 460 H THR 58 H THR 58 7.906 -14.202 -11.655 461 HA THR 58 HA THR 58 10.233 -14.111 -13.449 462 HB THR 58 HB THR 58 10.449 -12.976 -11.396 463 HG1 THR 58 HG1 THR 58 12.125 -15.418 -11.003 464 1HG2 THR 58 2HG2 THR 58 9.144 -15.333 -9.910 465 2HG2 THR 58 1HG2 THR 58 10.020 -14.041 -9.060 466 3HG2 THR 58 3HG2 THR 58 8.672 -13.677 -10.065 467 H THR 59 H THR 59 11.900 -15.804 -13.106 468 HA THR 59 HA THR 59 10.661 -18.356 -13.636 469 HB THR 59 HB THR 59 12.524 -17.904 -14.926 470 HG1 THR 59 HG1 THR 59 13.296 -20.192 -13.159 471 1HG2 THR 59 1HG2 THR 59 14.316 -17.289 -12.486 472 2HG2 THR 59 3HG2 THR 59 14.851 -17.472 -14.142 473 3HG2 THR 59 2HG2 THR 59 13.717 -16.236 -13.763 474 H GLN 60 H GLN 60 11.320 -16.837 -10.713 475 HA GLN 60 HA GLN 60 12.170 -19.249 -9.320 476 1HB GLN 60 2HB GLN 60 11.237 -16.627 -8.090 477 2HB GLN 60 1HB GLN 60 11.835 -17.997 -7.242 478 1HG GLN 60 2HG GLN 60 13.840 -16.919 -7.373 479 2HG GLN 60 1HG GLN 60 13.954 -17.782 -8.894 480 1HE2 GLN 60 2HE2 GLN 60 14.441 -14.893 -10.692 481 2HE2 GLN 60 1HE2 GLN 60 14.700 -16.590 -10.484 482 H GLY 61 H GLY 61 9.180 -17.308 -9.550 483 1HA GLY 61 2HA GLY 61 7.305 -19.127 -9.859 484 2HA GLY 61 1HA GLY 61 7.702 -19.461 -8.133 485 H GLU 62 H GLU 62 6.158 -17.463 -10.353 486 HA GLU 62 HA GLU 62 5.194 -15.316 -10.208 487 1HB GLU 62 2HB GLU 62 3.828 -17.637 -10.372 488 2HB GLU 62 1HB GLU 62 3.191 -17.133 -8.829 489 1HG GLU 62 2HG GLU 62 2.883 -14.846 -10.488 490 2HG GLU 62 1HG GLU 62 2.572 -16.164 -11.550 491 H VAL 63 H VAL 63 6.099 -13.819 -8.726 492 HA VAL 63 HA VAL 63 5.352 -13.950 -5.858 493 HB VAL 63 HB VAL 63 7.539 -12.915 -5.483 494 1HG1 VAL 63 1HG1 VAL 63 7.616 -15.387 -5.816 495 2HG1 VAL 63 3HG1 VAL 63 8.103 -15.125 -7.496 496 3HG1 VAL 63 2HG1 VAL 63 9.137 -14.581 -6.189 497 1HG2 VAL 63 1HG2 VAL 63 7.635 -12.391 -8.509 498 2HG2 VAL 63 3HG2 VAL 63 7.977 -11.342 -7.173 499 3HG2 VAL 63 2HG2 VAL 63 9.135 -12.554 -7.591 500 H VAL 64 H VAL 64 4.834 -11.666 -4.997 501 HA VAL 64 HA VAL 64 3.939 -9.994 -7.249 502 HB VAL 64 HB VAL 64 3.803 -9.317 -4.272 503 1HG1 VAL 64 3HG1 VAL 64 2.229 -8.204 -6.659 504 2HG1 VAL 64 2HG1 VAL 64 1.678 -8.090 -5.029 505 3HG1 VAL 64 1HG1 VAL 64 3.099 -7.215 -5.439 506 1HG2 VAL 64 3HG2 VAL 64 2.532 -11.428 -4.899 507 2HG2 VAL 64 2HG2 VAL 64 1.603 -10.050 -4.305 508 3HG2 VAL 64 1HG2 VAL 64 1.593 -10.342 -6.005 509 H LYS 65 H LYS 65 4.679 -7.689 -6.021 510 HA LYS 65 HA LYS 65 7.620 -7.377 -5.598 511 1HB LYS 65 2HB LYS 65 5.862 -5.880 -7.628 512 2HB LYS 65 1HB LYS 65 7.367 -5.194 -7.113 513 1HG LYS 65 2HG LYS 65 7.274 -7.969 -8.314 514 2HG LYS 65 1HG LYS 65 7.340 -6.572 -9.302 515 1HD LYS 65 2HD LYS 65 9.422 -5.804 -8.005 516 2HD LYS 65 1HD LYS 65 9.405 -7.359 -7.203 517 1HE LYS 65 1HE LYS 65 9.670 -8.514 -9.362 518 2HE LYS 65 2HE LYS 65 9.575 -6.992 -10.228 519 1HZ LYS 65 2HZ LYS 65 11.598 -6.320 -9.126 520 2HZ LYS 65 1HZ LYS 65 11.663 -7.818 -8.318 521 3HZ LYS 65 3HZ LYS 65 11.794 -7.757 -10.008 522 H HIS 66 H HIS 66 8.203 -5.099 -4.829 523 HA HIS 66 HA HIS 66 5.981 -3.771 -3.412 524 1HB HIS 66 2HB HIS 66 8.723 -4.560 -2.179 525 2HB HIS 66 1HB HIS 66 7.511 -3.606 -1.372 526 HD1 HIS 66 HD1 HIS 66 5.107 -5.771 -2.214 527 HD2 HIS 66 HD2 HIS 66 8.786 -6.475 -0.319 528 HE1 HIS 66 HE1 HIS 66 4.877 -7.911 -0.855 529 H TYR 67 H TYR 67 6.218 -1.551 -3.619 530 HA TYR 67 HA TYR 67 8.931 -0.389 -4.041 531 1HB TYR 67 2HB TYR 67 6.552 0.642 -5.661 532 2HB TYR 67 1HB TYR 67 8.217 1.122 -5.785 533 HD1 TYR 67 HD2 TYR 67 5.826 -1.556 -6.483 534 HD2 TYR 67 HD1 TYR 67 9.819 -0.187 -7.024 535 HE1 TYR 67 HE2 TYR 67 6.179 -3.369 -7.956 536 HE2 TYR 67 HE1 TYR 67 10.237 -1.953 -8.642 537 HH TYR 67 HH TYR 67 8.124 -3.625 -10.321 538 H LYS 68 H LYS 68 9.104 1.831 -3.509 539 HA LYS 68 HA LYS 68 7.178 2.714 -1.443 540 1HB LYS 68 2HB LYS 68 9.148 3.742 -0.322 541 2HB LYS 68 1HB LYS 68 9.079 2.003 -0.309 542 1HG LYS 68 2HG LYS 68 10.578 3.425 -2.473 543 2HG LYS 68 1HG LYS 68 11.319 3.219 -0.909 544 1HD LYS 68 2HD LYS 68 10.173 0.666 -1.822 545 2HD LYS 68 1HD LYS 68 11.193 1.338 -3.059 546 1HE LYS 68 1HE LYS 68 12.594 -0.076 -1.697 547 2HE LYS 68 2HE LYS 68 13.046 1.581 -1.302 548 1HZ LYS 68 3HZ LYS 68 11.622 1.444 0.621 549 2HZ LYS 68 2HZ LYS 68 11.247 -0.167 0.241 550 3HZ LYS 68 1HZ LYS 68 12.842 0.262 0.633 551 H ILE 69 H ILE 69 6.011 3.989 -2.366 552 HA ILE 69 HA ILE 69 6.959 6.225 -4.022 553 HB ILE 69 HB ILE 69 4.336 6.698 -4.005 554 1HG1 ILE 69 1HG1 ILE 69 4.451 3.870 -3.297 555 2HG1 ILE 69 2HG1 ILE 69 3.189 5.043 -3.250 556 1HG2 ILE 69 1HG2 ILE 69 5.808 6.868 -5.919 557 2HG2 ILE 69 3HG2 ILE 69 5.444 5.177 -6.291 558 3HG2 ILE 69 2HG2 ILE 69 4.150 6.359 -6.163 559 1HD1 ILE 69 1HD1 ILE 69 2.784 4.664 -5.692 560 2HD1 ILE 69 3HD1 ILE 69 4.127 3.505 -5.694 561 3HD1 ILE 69 2HD1 ILE 69 2.678 3.199 -4.732 562 H ARG 70 H ARG 70 7.577 7.916 -3.099 563 HA ARG 70 HA ARG 70 6.300 8.852 -0.574 564 1HB ARG 70 2HB ARG 70 8.885 9.739 -2.006 565 2HB ARG 70 1HB ARG 70 8.230 10.541 -0.629 566 1HG ARG 70 2HG ARG 70 9.848 9.105 0.288 567 2HG ARG 70 1HG ARG 70 8.327 8.306 0.643 568 1HD ARG 70 2HD ARG 70 8.614 6.656 -1.000 569 2HD ARG 70 1HD ARG 70 9.619 7.682 -2.013 570 HE ARG 70 HE ARG 70 11.453 6.800 -1.004 571 1HH1 ARG 70 1HH2 ARG 70 8.724 6.377 1.208 572 2HH1 ARG 70 2HH2 ARG 70 9.632 5.443 2.348 573 1HH2 ARG 70 2HH1 ARG 70 12.601 5.573 0.522 574 2HH2 ARG 70 1HH1 ARG 70 11.834 4.994 1.964 575 H SER 71 H SER 71 5.226 10.521 -0.563 576 HA SER 71 HA SER 71 4.367 11.744 -3.093 577 1HB SER 71 2HB SER 71 2.537 12.772 -1.755 578 2HB SER 71 1HB SER 71 2.546 11.086 -1.684 579 HG SER 71 HG SER 71 3.958 11.902 0.753 580 H LEU 72 H LEU 72 5.458 13.504 -3.732 581 HA LEU 72 HA LEU 72 6.728 15.259 -1.759 582 1HB LEU 72 2HB LEU 72 7.124 15.541 -4.755 583 2HB LEU 72 1HB LEU 72 8.223 15.883 -3.460 584 HG LEU 72 HG LEU 72 9.123 14.121 -4.378 585 1HD1 LEU 72 1HD1 LEU 72 8.517 14.003 -1.826 586 2HD1 LEU 72 3HD1 LEU 72 7.673 12.530 -2.280 587 3HD1 LEU 72 2HD1 LEU 72 9.383 12.691 -2.576 588 1HD2 LEU 72 1HD2 LEU 72 6.891 13.601 -5.743 589 2HD2 LEU 72 3HD2 LEU 72 8.079 12.354 -5.569 590 3HD2 LEU 72 2HD2 LEU 72 6.677 12.387 -4.523 591 H ASP 73 H ASP 73 6.384 17.232 -1.610 592 HA ASP 73 HA ASP 73 3.770 18.291 -2.364 593 1HB ASP 73 2HB ASP 73 4.601 20.428 -1.245 594 2HB ASP 73 1HB ASP 73 4.707 19.012 -0.214 595 H ASN 74 H ASN 74 7.018 18.571 -3.453 596 HA ASN 74 HA ASN 74 6.314 20.539 -5.530 597 1HB ASN 74 2HB ASN 74 8.828 20.841 -5.671 598 2HB ASN 74 1HB ASN 74 8.187 21.157 -4.072 599 1HD2 ASN 74 2HD2 ASN 74 10.003 18.724 -2.399 600 2HD2 ASN 74 1HD2 ASN 74 8.852 20.000 -2.344 601 H GLY 75 H GLY 75 6.284 17.324 -5.327 602 1HA GLY 75 2HA GLY 75 6.737 17.093 -8.229 603 2HA GLY 75 1HA GLY 75 7.912 16.181 -7.225 604 H GLY 76 H GLY 76 4.723 16.340 -6.046 605 1HA GLY 76 2HA GLY 76 2.904 14.912 -6.132 606 2HA GLY 76 1HA GLY 76 3.561 14.301 -7.668 607 H TYR 77 H TYR 77 5.133 12.559 -7.654 608 HA TYR 77 HA TYR 77 5.381 10.985 -5.202 609 1HB TYR 77 2HB TYR 77 3.833 9.839 -7.583 610 2HB TYR 77 1HB TYR 77 4.504 8.870 -6.304 611 HD1 TYR 77 HD2 TYR 77 2.040 11.327 -7.150 612 HD2 TYR 77 HD1 TYR 77 3.561 8.897 -4.051 613 HE1 TYR 77 HE2 TYR 77 -0.056 11.643 -6.036 614 HE2 TYR 77 HE1 TYR 77 1.574 9.162 -2.775 615 HH TYR 77 HH TYR 77 -0.571 11.403 -2.929 616 H TYR 78 H TYR 78 7.098 9.619 -5.248 617 HA TYR 78 HA TYR 78 8.222 8.979 -7.888 618 1HB TYR 78 2HB TYR 78 10.328 9.849 -7.593 619 2HB TYR 78 1HB TYR 78 9.381 11.126 -6.909 620 HD1 TYR 78 HD2 TYR 78 11.625 8.319 -6.248 621 HD2 TYR 78 HD1 TYR 78 9.660 11.689 -4.471 622 HE1 TYR 78 HE2 TYR 78 12.999 8.022 -4.404 623 HE2 TYR 78 HE1 TYR 78 11.090 11.512 -2.564 624 HH TYR 78 HH TYR 78 12.602 9.001 -1.467 625 H ILE 79 H ILE 79 9.366 7.177 -7.951 626 HA ILE 79 HA ILE 79 9.591 5.495 -5.505 627 HB ILE 79 HB ILE 79 9.431 3.526 -7.298 628 1HG1 ILE 79 1HG1 ILE 79 7.443 5.609 -8.225 629 2HG1 ILE 79 2HG1 ILE 79 8.854 5.073 -9.090 630 1HG2 ILE 79 2HG2 ILE 79 7.291 4.615 -5.521 631 2HG2 ILE 79 1HG2 ILE 79 7.134 3.086 -6.404 632 3HG2 ILE 79 3HG2 ILE 79 8.422 3.308 -5.248 633 1HD1 ILE 79 2HD1 ILE 79 7.351 2.701 -8.433 634 2HD1 ILE 79 1HD1 ILE 79 6.172 3.902 -8.971 635 3HD1 ILE 79 3HD1 ILE 79 7.560 3.416 -9.992 636 H SER 80 H SER 80 10.844 6.169 -8.674 637 HA SER 80 HA SER 80 13.558 5.582 -7.605 638 1HB SER 80 2HB SER 80 13.124 6.217 -10.564 639 2HB SER 80 1HB SER 80 14.295 5.259 -9.844 640 HG SER 80 HG SER 80 11.663 3.796 -9.831 641 HA PRO 81 HA PRO 81 13.279 10.012 -7.259 642 1HB PRO 81 2HB PRO 81 16.246 10.150 -7.253 643 2HB PRO 81 1HB PRO 81 15.064 10.619 -5.995 644 1HG PRO 81 2HG PRO 81 16.662 8.387 -5.745 645 2HG PRO 81 1HG PRO 81 15.043 8.500 -5.059 646 1HD PRO 81 1HD PRO 81 15.873 7.085 -7.553 647 2HD PRO 81 2HD PRO 81 14.680 6.633 -6.299 648 H ARG 82 H ARG 82 14.982 8.430 -9.767 649 HA ARG 82 HA ARG 82 15.442 10.756 -11.398 650 1HB ARG 82 2HB ARG 82 16.170 9.182 -13.119 651 2HB ARG 82 1HB ARG 82 16.870 8.840 -11.570 652 1HG ARG 82 2HG ARG 82 16.297 6.679 -12.178 653 2HG ARG 82 1HG ARG 82 14.856 7.121 -11.316 654 1HD ARG 82 2HD ARG 82 13.983 6.218 -13.328 655 2HD ARG 82 1HD ARG 82 14.018 7.974 -13.663 656 HE ARG 82 HE ARG 82 16.477 7.010 -14.472 657 1HH1 ARG 82 1HH2 ARG 82 13.083 6.405 -15.258 658 2HH1 ARG 82 2HH2 ARG 82 13.397 5.969 -16.892 659 1HH2 ARG 82 2HH1 ARG 82 16.862 6.446 -16.639 660 2HH2 ARG 82 1HH1 ARG 82 15.552 5.997 -17.682 661 H ILE 83 H ILE 83 12.838 8.352 -11.133 662 HA ILE 83 HA ILE 83 11.235 10.021 -12.972 663 HB ILE 83 HB ILE 83 9.636 8.220 -13.140 664 1HG1 ILE 83 1HG1 ILE 83 12.008 6.499 -12.313 665 2HG1 ILE 83 2HG1 ILE 83 10.506 6.689 -11.421 666 1HG2 ILE 83 2HG2 ILE 83 11.095 9.144 -14.928 667 2HG2 ILE 83 1HG2 ILE 83 12.215 7.826 -14.611 668 3HG2 ILE 83 3HG2 ILE 83 10.570 7.505 -15.163 669 1HD1 ILE 83 3HD1 ILE 83 9.454 6.089 -13.820 670 2HD1 ILE 83 2HD1 ILE 83 11.017 5.376 -14.093 671 3HD1 ILE 83 1HD1 ILE 83 10.023 4.759 -12.759 672 H THR 84 H THR 84 10.054 11.234 -12.275 673 HA THR 84 HA THR 84 8.457 10.901 -9.797 674 HB THR 84 HB THR 84 9.305 13.603 -10.860 675 HG1 THR 84 HG1 THR 84 11.528 11.951 -9.736 676 1HG2 THR 84 3HG2 THR 84 8.782 12.634 -8.055 677 2HG2 THR 84 2HG2 THR 84 9.442 14.227 -8.439 678 3HG2 THR 84 1HG2 THR 84 7.927 13.704 -9.132 679 H PHE 85 H PHE 85 6.627 12.057 -9.838 680 HA PHE 85 HA PHE 85 5.450 12.998 -12.424 681 1HB PHE 85 2HB PHE 85 4.461 10.424 -11.100 682 2HB PHE 85 1HB PHE 85 3.462 11.312 -12.209 683 HD1 PHE 85 HD2 PHE 85 6.547 9.379 -11.893 684 HD2 PHE 85 HD1 PHE 85 3.966 11.395 -14.612 685 HE1 PHE 85 HE2 PHE 85 7.726 8.322 -13.850 686 HE2 PHE 85 HE1 PHE 85 5.116 10.324 -16.513 687 HZ PHE 85 HZ PHE 85 7.054 8.773 -16.068 688 HA PRO 86 HA PRO 86 3.368 15.742 -9.671 689 1HB PRO 86 2HB PRO 86 1.115 16.463 -11.111 690 2HB PRO 86 1HB PRO 86 2.752 16.967 -11.506 691 1HG PRO 86 2HG PRO 86 1.215 14.692 -12.731 692 2HG PRO 86 1HG PRO 86 2.154 15.930 -13.576 693 1HD PRO 86 1HD PRO 86 3.206 13.464 -13.107 694 2HD PRO 86 2HD PRO 86 4.230 14.908 -13.013 695 H THR 87 H THR 87 1.969 12.736 -10.434 696 HA THR 87 HA THR 87 0.616 12.599 -7.923 697 HB THR 87 HB THR 87 -1.205 13.670 -8.854 698 HG1 THR 87 HG1 THR 87 -1.990 10.802 -8.940 699 1HG2 THR 87 3HG2 THR 87 -0.753 12.240 -11.483 700 2HG2 THR 87 2HG2 THR 87 -2.227 13.178 -11.117 701 3HG2 THR 87 1HG2 THR 87 -0.657 13.919 -11.050 702 H LEU 88 H LEU 88 -0.484 10.346 -7.776 703 HA LEU 88 HA LEU 88 1.327 8.433 -8.863 704 1HB LEU 88 2HB LEU 88 -1.523 7.855 -7.854 705 2HB LEU 88 1HB LEU 88 -0.393 6.665 -8.360 706 HG LEU 88 HG LEU 88 -0.066 8.482 -5.963 707 1HD1 LEU 88 2HD1 LEU 88 -1.879 6.738 -5.872 708 2HD1 LEU 88 1HD1 LEU 88 -0.677 5.566 -6.388 709 3HD1 LEU 88 3HD1 LEU 88 -0.534 6.301 -4.787 710 1HD2 LEU 88 3HD2 LEU 88 1.523 6.062 -6.936 711 2HD2 LEU 88 2HD2 LEU 88 2.174 7.711 -6.840 712 3HD2 LEU 88 1HD2 LEU 88 1.743 6.817 -5.369 713 H GLN 89 H GLN 89 -1.740 9.884 -10.052 714 HA GLN 89 HA GLN 89 -2.262 7.587 -11.780 715 1HB GLN 89 2HB GLN 89 -4.137 8.503 -12.541 716 2HB GLN 89 1HB GLN 89 -4.031 9.034 -10.888 717 1HG GLN 89 2HG GLN 89 -2.850 11.122 -12.432 718 2HG GLN 89 1HG GLN 89 -4.209 10.448 -13.366 719 1HE2 GLN 89 2HE2 GLN 89 -4.817 12.031 -9.582 720 2HE2 GLN 89 1HE2 GLN 89 -3.388 11.179 -10.087 721 H ALA 90 H ALA 90 -0.516 10.493 -12.157 722 HA ALA 90 HA ALA 90 -0.085 10.143 -15.018 723 1HB ALA 90 2HB ALA 90 1.531 11.775 -12.942 724 2HB ALA 90 1HB ALA 90 1.746 11.925 -14.685 725 3HB ALA 90 3HB ALA 90 0.223 12.386 -13.940 726 H LEU 91 H LEU 91 1.241 8.789 -12.189 727 HA LEU 91 HA LEU 91 3.690 7.712 -13.298 728 1HB LEU 91 2HB LEU 91 3.988 8.231 -11.149 729 2HB LEU 91 1HB LEU 91 2.366 8.113 -10.666 730 HG LEU 91 HG LEU 91 4.168 5.707 -11.041 731 1HD1 LEU 91 2HD1 LEU 91 4.970 7.457 -9.239 732 2HD1 LEU 91 1HD1 LEU 91 3.477 7.051 -8.392 733 3HD1 LEU 91 3HD1 LEU 91 4.700 5.814 -8.658 734 1HD2 LEU 91 1HD2 LEU 91 1.499 5.988 -9.613 735 2HD2 LEU 91 3HD2 LEU 91 1.991 4.879 -10.918 736 3HD2 LEU 91 2HD2 LEU 91 2.667 4.648 -9.332 737 H VAL 92 H VAL 92 0.335 6.698 -12.624 738 HA VAL 92 HA VAL 92 0.821 3.991 -13.386 739 HB VAL 92 HB VAL 92 -1.916 5.265 -13.012 740 1HG1 VAL 92 3HG1 VAL 92 -1.817 2.794 -13.403 741 2HG1 VAL 92 2HG1 VAL 92 -0.780 2.686 -11.912 742 3HG1 VAL 92 1HG1 VAL 92 -2.418 3.232 -11.816 743 1HG2 VAL 92 1HG2 VAL 92 0.088 5.295 -10.892 744 2HG2 VAL 92 3HG2 VAL 92 -1.510 5.964 -10.898 745 3HG2 VAL 92 2HG2 VAL 92 -1.206 4.334 -10.403 746 H GLN 93 H GLN 93 0.577 6.759 -15.159 747 HA GLN 93 HA GLN 93 -1.229 5.741 -17.276 748 1HB GLN 93 2HB GLN 93 -1.542 7.800 -18.101 749 2HB GLN 93 1HB GLN 93 -1.286 8.199 -16.428 750 1HG GLN 93 2HG GLN 93 1.151 8.778 -17.056 751 2HG GLN 93 1HG GLN 93 0.694 8.569 -18.724 752 1HE2 GLN 93 2HE2 GLN 93 -1.768 11.380 -18.327 753 2HE2 GLN 93 1HE2 GLN 93 -1.936 9.684 -18.600 754 H HIS 94 H HIS 94 1.969 7.057 -16.698 755 HA HIS 94 HA HIS 94 3.145 6.435 -19.184 756 1HB HIS 94 2HB HIS 94 4.037 8.139 -17.577 757 2HB HIS 94 1HB HIS 94 4.428 6.884 -16.418 758 HD1 HIS 94 HD1 HIS 94 6.877 6.386 -16.530 759 HD2 HIS 94 HD2 HIS 94 5.305 7.309 -20.306 760 HE1 HIS 94 HE1 HIS 94 8.794 6.259 -18.204 761 H TYR 95 H TYR 95 3.142 4.791 -16.011 762 HA TYR 95 HA TYR 95 4.796 2.647 -16.878 763 1HB TYR 95 2HB TYR 95 2.833 2.689 -14.571 764 2HB TYR 95 1HB TYR 95 3.983 1.411 -14.865 765 HD1 TYR 95 HD1 TYR 95 5.916 4.170 -15.848 766 HD2 TYR 95 HD2 TYR 95 4.155 2.437 -12.341 767 HE1 TYR 95 HE1 TYR 95 7.457 5.362 -14.534 768 HE2 TYR 95 HE2 TYR 95 5.616 3.604 -10.983 769 HH TYR 95 HH TYR 95 7.183 6.238 -11.505 770 H SER 96 H SER 96 1.339 3.205 -17.233 771 HA SER 96 HA SER 96 0.665 0.499 -17.784 772 1HB SER 96 2HB SER 96 -0.427 2.890 -19.467 773 2HB SER 96 1HB SER 96 -1.129 1.366 -19.366 774 HG SER 96 HG SER 96 -1.316 2.653 -16.677 775 H LYS 97 H LYS 97 2.022 2.874 -20.035 776 HA LYS 97 HA LYS 97 2.240 0.590 -21.959 777 1HB LYS 97 2HB LYS 97 2.659 3.534 -22.556 778 2HB LYS 97 1HB LYS 97 2.541 2.235 -23.731 779 1HG LYS 97 2HG LYS 97 0.400 3.114 -21.801 780 2HG LYS 97 1HG LYS 97 0.380 3.385 -23.542 781 1HD LYS 97 2HD LYS 97 0.321 0.834 -23.777 782 2HD LYS 97 1HD LYS 97 0.187 0.755 -22.036 783 1HE LYS 97 1HE LYS 97 -1.932 2.082 -22.100 784 2HE LYS 97 2HE LYS 97 -1.844 2.130 -23.862 785 1HZ LYS 97 2HZ LYS 97 -1.951 -0.254 -23.886 786 2HZ LYS 97 1HZ LYS 97 -2.054 -0.283 -22.191 787 3HZ LYS 97 3HZ LYS 97 -3.296 0.430 -23.112 788 H LYS 98 H LYS 98 4.148 2.265 -19.870 789 HA LYS 98 HA LYS 98 6.383 0.626 -20.676 790 1HB LYS 98 2HB LYS 98 6.114 2.952 -22.075 791 2HB LYS 98 1HB LYS 98 6.790 3.715 -20.674 792 1HG LYS 98 2HG LYS 98 8.068 1.294 -21.902 793 2HG LYS 98 1HG LYS 98 8.287 2.859 -22.655 794 1HD LYS 98 2HD LYS 98 9.331 3.785 -20.683 795 2HD LYS 98 1HD LYS 98 8.880 2.407 -19.714 796 1HE LYS 98 1HE LYS 98 10.447 0.949 -20.744 797 2HE LYS 98 2HE LYS 98 10.644 1.978 -22.157 798 1HZ LYS 98 3HZ LYS 98 11.569 2.704 -19.459 799 2HZ LYS 98 2HZ LYS 98 12.531 2.072 -20.713 800 3HZ LYS 98 1HZ LYS 98 11.774 3.581 -20.880 801 H GLY 99 H GLY 99 6.545 -0.200 -18.803 802 1HA GLY 99 2HA GLY 99 5.954 0.736 -16.244 803 2HA GLY 99 1HA GLY 99 7.110 -0.599 -16.623 804 H ASP 100 H ASP 100 8.740 0.979 -18.136 805 HA ASP 100 HA ASP 100 10.730 2.057 -18.019 806 1HB ASP 100 2HB ASP 100 9.005 3.940 -17.979 807 2HB ASP 100 1HB ASP 100 9.246 4.087 -16.260 808 H GLY 101 H GLY 101 11.208 0.204 -16.707 809 1HA GLY 101 2HA GLY 101 13.121 -0.365 -15.330 810 2HA GLY 101 1HA GLY 101 12.911 1.164 -14.419 811 H LEU 102 H LEU 102 9.877 0.110 -14.461 812 HA LEU 102 HA LEU 102 9.962 -0.982 -11.799 813 1HB LEU 102 2HB LEU 102 7.841 -0.546 -13.960 814 2HB LEU 102 1HB LEU 102 7.414 -1.576 -12.687 815 HG LEU 102 HG LEU 102 7.740 1.375 -12.670 816 1HD1 LEU 102 3HD1 LEU 102 5.536 0.245 -12.633 817 2HD1 LEU 102 2HD1 LEU 102 5.997 -0.606 -11.151 818 3HD1 LEU 102 1HD1 LEU 102 5.780 1.130 -11.121 819 1HD2 LEU 102 1HD2 LEU 102 8.430 -0.273 -10.190 820 2HD2 LEU 102 3HD2 LEU 102 9.401 1.023 -10.910 821 3HD2 LEU 102 2HD2 LEU 102 7.871 1.369 -10.118 822 H CYS 103 H CYS 103 10.558 -2.335 -14.806 823 HA CYS 103 HA CYS 103 10.896 -4.287 -15.656 824 1HB CYS 103 2HB CYS 103 11.636 -6.158 -14.371 825 2HB CYS 103 1HB CYS 103 12.255 -4.705 -13.640 826 HG CYS 103 HG CYS 103 9.593 -6.533 -12.399 827 H GLN 104 H GLN 104 8.071 -3.378 -14.596 828 HA GLN 104 HA GLN 104 6.593 -5.305 -16.042 829 1HB GLN 104 2HB GLN 104 6.314 -5.134 -12.961 830 2HB GLN 104 1HB GLN 104 4.938 -5.481 -13.951 831 1HG GLN 104 2HG GLN 104 5.442 -7.627 -13.589 832 2HG GLN 104 1HG GLN 104 6.571 -7.444 -14.919 833 1HE2 GLN 104 2HE2 GLN 104 9.052 -8.745 -12.908 834 2HE2 GLN 104 1HE2 GLN 104 8.177 -8.727 -14.398 835 H LYS 105 H LYS 105 5.751 -4.006 -17.187 836 HA LYS 105 HA LYS 105 4.852 -1.380 -16.409 837 1HB LYS 105 2HB LYS 105 4.786 -1.062 -18.786 838 2HB LYS 105 1HB LYS 105 6.165 -2.130 -18.435 839 1HG LYS 105 2HG LYS 105 5.275 -3.115 -20.295 840 2HG LYS 105 1HG LYS 105 4.436 -4.061 -19.062 841 1HD LYS 105 2HD LYS 105 2.577 -3.440 -20.303 842 2HD LYS 105 1HD LYS 105 2.771 -1.919 -19.432 843 1HE LYS 105 1HE LYS 105 2.660 -1.356 -21.696 844 2HE LYS 105 2HE LYS 105 4.363 -1.135 -21.178 845 1HZ LYS 105 1HZ LYS 105 3.221 -3.406 -22.709 846 2HZ LYS 105 3HZ LYS 105 4.147 -2.135 -23.352 847 3HZ LYS 105 2HZ LYS 105 4.847 -3.232 -22.266 848 H LEU 106 H LEU 106 2.747 -0.788 -16.441 849 HA LEU 106 HA LEU 106 1.139 -2.829 -15.389 850 1HB LEU 106 2HB LEU 106 -0.441 -0.421 -16.279 851 2HB LEU 106 1HB LEU 106 -0.601 -1.391 -14.879 852 HG LEU 106 HG LEU 106 1.443 0.767 -15.392 853 1HD1 LEU 106 1HD1 LEU 106 -1.060 0.787 -14.096 854 2HD1 LEU 106 3HD1 LEU 106 0.045 0.623 -12.774 855 3HD1 LEU 106 2HD1 LEU 106 0.271 1.966 -13.861 856 1HD2 LEU 106 3HD2 LEU 106 2.667 -1.219 -14.225 857 2HD2 LEU 106 2HD2 LEU 106 2.474 0.194 -13.199 858 3HD2 LEU 106 1HD2 LEU 106 1.347 -1.152 -13.105 859 H THR 107 H THR 107 -1.085 -3.431 -15.968 860 HA THR 107 HA THR 107 -1.629 -3.351 -18.880 861 HB THR 107 HB THR 107 -1.920 -5.629 -19.164 862 HG1 THR 107 HG1 THR 107 -1.930 -6.260 -16.284 863 1HG2 THR 107 3HG2 THR 107 0.297 -4.850 -19.481 864 2HG2 THR 107 2HG2 THR 107 0.785 -5.110 -17.855 865 3HG2 THR 107 1HG2 THR 107 0.398 -6.500 -18.855 866 H LEU 108 H LEU 108 -2.890 -5.081 -16.095 867 HA LEU 108 HA LEU 108 -5.452 -3.524 -16.486 868 1HB LEU 108 2HB LEU 108 -5.370 -6.456 -15.967 869 2HB LEU 108 1HB LEU 108 -6.784 -5.542 -16.284 870 HG LEU 108 HG LEU 108 -4.585 -5.853 -18.355 871 1HD1 LEU 108 2HD1 LEU 108 -7.017 -7.617 -18.003 872 2HD1 LEU 108 1HD1 LEU 108 -5.904 -7.644 -19.374 873 3HD1 LEU 108 3HD1 LEU 108 -5.328 -8.077 -17.767 874 1HD2 LEU 108 2HD2 LEU 108 -6.212 -3.945 -18.651 875 2HD2 LEU 108 1HD2 LEU 108 -6.346 -5.149 -19.934 876 3HD2 LEU 108 3HD2 LEU 108 -7.535 -5.101 -18.631 877 HA PRO 109 HA PRO 109 -4.566 -3.297 -11.992 878 1HB PRO 109 2HB PRO 109 -7.221 -1.844 -12.073 879 2HB PRO 109 1HB PRO 109 -5.701 -1.350 -11.313 880 1HG PRO 109 2HG PRO 109 -6.441 -0.199 -13.645 881 2HG PRO 109 1HG PRO 109 -4.764 -0.656 -13.338 882 1HD PRO 109 1HD PRO 109 -6.722 -2.240 -15.081 883 2HD PRO 109 2HD PRO 109 -5.012 -1.864 -15.337 884 H CYS 110 H CYS 110 -4.750 -5.259 -11.635 885 HA CYS 110 HA CYS 110 -5.447 -7.375 -11.281 886 1HB CYS 110 1HB CYS 110 -7.142 -6.117 -9.105 887 2HB CYS 110 2HB CYS 110 -6.310 -7.653 -9.041 888 HG CYS 110 HG CYS 110 -4.616 -6.342 -7.495 889 H VAL 111 H VAL 111 -8.041 -7.953 -9.863 890 HA VAL 111 HA VAL 111 -9.873 -7.980 -12.212 891 HB VAL 111 HB VAL 111 -9.049 -10.203 -11.828 892 1HG1 VAL 111 2HG1 VAL 111 -8.185 -10.002 -9.496 893 2HG1 VAL 111 1HG1 VAL 111 -9.835 -10.086 -8.885 894 3HG1 VAL 111 3HG1 VAL 111 -9.140 -11.445 -9.747 895 1HG2 VAL 111 3HG2 VAL 111 -11.488 -10.016 -12.314 896 2HG2 VAL 111 2HG2 VAL 111 -11.117 -11.453 -11.369 897 3HG2 VAL 111 1HG2 VAL 111 -11.840 -10.054 -10.587 898 H ASN 112 H ASN 112 -11.381 -6.517 -11.860 899 HA ASN 112 HA ASN 112 -11.940 -5.489 -9.261 900 1HB ASN 112 2HB ASN 112 -13.859 -4.274 -10.332 901 2HB ASN 112 1HB ASN 112 -12.352 -4.064 -11.181 902 1HD2 ASN 112 2HD2 ASN 112 -13.367 -5.465 -14.196 903 2HD2 ASN 112 1HD2 ASN 112 -12.069 -4.823 -13.249 904 H LEU 113 H LEU 113 -13.055 -6.229 -7.686 905 HA LEU 113 HA LEU 113 -15.242 -8.179 -8.118 906 1HB LEU 113 2HB LEU 113 -12.942 -8.405 -6.099 907 2HB LEU 113 1HB LEU 113 -14.360 -9.412 -6.035 908 HG LEU 113 HG LEU 113 -12.424 -9.330 -8.385 909 1HD1 LEU 113 1HD1 LEU 113 -11.315 -10.235 -6.381 910 2HD1 LEU 113 3HD1 LEU 113 -12.632 -11.384 -6.150 911 3HD1 LEU 113 2HD1 LEU 113 -11.590 -11.505 -7.567 912 1HD2 LEU 113 2HD2 LEU 113 -14.740 -11.235 -7.771 913 2HD2 LEU 113 1HD2 LEU 113 -14.673 -10.080 -9.103 914 3HD2 LEU 113 3HD2 LEU 113 -13.576 -11.448 -9.078 915 H ALA 114 HN ALA 114 -16.732 -6.722 -7.805 916 HA ALA 114 HA ALA 114 -17.391 -6.091 -5.073 917 1HB ALA 114 3HB ALA 114 -16.749 -3.787 -7.026 918 2HB ALA 114 2HB ALA 114 -17.491 -3.574 -5.439 919 3HB ALA 114 1HB ALA 114 -15.843 -4.173 -5.568 No H/Q in entry = 919 Start of MODEL 2 1 1H GLY 1 2H GLY 1 -24.011 9.616 -23.301 2 2H GLY 1 1H GLY 1 -23.871 11.021 -22.356 3 3H GLY 1 3H GLY 1 -22.787 9.730 -22.136 4 1HA GLY 1 2HA GLY 1 -24.392 9.793 -20.389 5 2HA GLY 1 1HA GLY 1 -25.691 9.680 -21.636 6 H SER 2 H SER 2 -25.752 7.939 -19.690 7 HA SER 2 HA SER 2 -26.014 5.775 -19.193 8 1HB SER 2 2HB SER 2 -26.278 4.126 -20.863 9 2HB SER 2 1HB SER 2 -26.930 5.562 -21.464 10 HG SER 2 HG SER 2 -24.203 5.340 -22.611 11 H VAL 3 H VAL 3 -23.031 7.065 -19.767 12 HA VAL 3 HA VAL 3 -21.502 4.581 -19.605 13 HB VAL 3 HB VAL 3 -19.536 5.998 -19.678 14 1HG1 VAL 3 1HG1 VAL 3 -20.803 5.368 -21.803 15 2HG1 VAL 3 3HG1 VAL 3 -21.444 7.016 -21.807 16 3HG1 VAL 3 2HG1 VAL 3 -19.721 6.748 -21.935 17 1HG2 VAL 3 2HG2 VAL 3 -21.437 8.406 -19.641 18 2HG2 VAL 3 1HG2 VAL 3 -20.220 8.019 -18.421 19 3HG2 VAL 3 3HG2 VAL 3 -19.725 8.482 -20.033 20 H ALA 4 H ALA 4 -22.400 7.296 -17.563 21 HA ALA 4 HA ALA 4 -22.465 7.618 -15.357 22 1HB ALA 4 1HB ALA 4 -23.377 5.287 -15.207 23 2HB ALA 4 3HB ALA 4 -21.754 4.643 -15.010 24 3HB ALA 4 2HB ALA 4 -22.443 5.675 -13.776 25 HA PRO 5 HA PRO 5 -18.301 8.734 -14.383 26 1HB PRO 5 2HB PRO 5 -18.342 9.146 -11.635 27 2HB PRO 5 1HB PRO 5 -19.110 10.202 -12.810 28 1HG PRO 5 2HG PRO 5 -20.426 8.046 -11.183 29 2HG PRO 5 1HG PRO 5 -21.021 9.685 -11.482 30 1HD PRO 5 1HD PRO 5 -21.961 7.556 -12.902 31 2HD PRO 5 2HD PRO 5 -21.767 9.143 -13.669 32 H VAL 6 H VAL 6 -19.590 5.817 -13.191 33 HA VAL 6 HA VAL 6 -17.128 4.888 -11.929 34 HB VAL 6 HB VAL 6 -19.226 4.121 -11.041 35 1HG1 VAL 6 2HG1 VAL 6 -20.704 4.228 -13.014 36 2HG1 VAL 6 1HG1 VAL 6 -19.914 2.812 -13.712 37 3HG1 VAL 6 3HG1 VAL 6 -20.820 2.673 -12.217 38 1HG2 VAL 6 2HG2 VAL 6 -17.288 2.538 -10.952 39 2HG2 VAL 6 1HG2 VAL 6 -18.836 1.699 -10.953 40 3HG2 VAL 6 3HG2 VAL 6 -17.867 1.755 -12.421 41 H GLU 7 H GLU 7 -18.926 4.491 -14.905 42 HA GLU 7 HA GLU 7 -18.589 3.505 -16.849 43 1HB GLU 7 2HB GLU 7 -17.332 5.609 -16.965 44 2HB GLU 7 1HB GLU 7 -15.842 4.815 -16.545 45 1HG GLU 7 2HG GLU 7 -15.750 3.643 -18.666 46 2HG GLU 7 1HG GLU 7 -17.455 3.935 -18.996 47 H THR 8 H THR 8 -15.213 2.977 -15.969 48 HA THR 8 HA THR 8 -15.624 0.215 -15.368 49 HB THR 8 HB THR 8 -14.011 0.569 -17.933 50 HG1 THR 8 HG1 THR 8 -16.979 0.633 -18.218 51 1HG2 THR 8 3HG2 THR 8 -15.523 -1.847 -16.810 52 2HG2 THR 8 2HG2 THR 8 -14.709 -1.796 -18.380 53 3HG2 THR 8 1HG2 THR 8 -13.815 -1.529 -16.905 54 H LEU 9 H LEU 9 -13.366 2.778 -16.179 55 HA LEU 9 HA LEU 9 -11.605 1.676 -14.098 56 1HB LEU 9 2HB LEU 9 -10.755 0.652 -16.198 57 2HB LEU 9 1HB LEU 9 -10.649 2.214 -16.953 58 HG LEU 9 HG LEU 9 -8.915 2.922 -15.320 59 1HD1 LEU 9 1HD1 LEU 9 -9.198 0.113 -14.164 60 2HD1 LEU 9 3HD1 LEU 9 -7.854 1.201 -13.815 61 3HD1 LEU 9 2HD1 LEU 9 -9.478 1.643 -13.331 62 1HD2 LEU 9 2HD2 LEU 9 -8.208 1.877 -17.451 63 2HD2 LEU 9 1HD2 LEU 9 -7.080 1.487 -16.162 64 3HD2 LEU 9 3HD2 LEU 9 -8.244 0.280 -16.706 65 H GLU 10 H GLU 10 -11.868 3.246 -12.806 66 HA GLU 10 HA GLU 10 -11.152 6.025 -13.609 67 1HB GLU 10 2HB GLU 10 -13.549 5.274 -12.676 68 2HB GLU 10 1HB GLU 10 -12.802 5.343 -11.113 69 1HG GLU 10 2HG GLU 10 -12.968 7.645 -13.134 70 2HG GLU 10 1HG GLU 10 -14.009 7.440 -11.749 71 H VAL 11 H VAL 11 -11.337 3.898 -10.886 72 HA VAL 11 HA VAL 11 -8.483 4.389 -10.111 73 HB VAL 11 HB VAL 11 -9.163 4.278 -7.754 74 1HG1 VAL 11 1HG1 VAL 11 -9.129 6.504 -8.875 75 2HG1 VAL 11 3HG1 VAL 11 -10.855 6.356 -9.192 76 3HG1 VAL 11 2HG1 VAL 11 -10.270 6.440 -7.538 77 1HG2 VAL 11 2HG2 VAL 11 -12.068 4.057 -8.737 78 2HG2 VAL 11 1HG2 VAL 11 -11.180 2.801 -7.886 79 3HG2 VAL 11 3HG2 VAL 11 -11.567 4.297 -7.063 80 H GLU 12 H GLU 12 -11.126 2.202 -10.463 81 HA GLU 12 HA GLU 12 -11.181 0.061 -9.281 82 1HB GLU 12 2HB GLU 12 -11.114 0.545 -12.235 83 2HB GLU 12 1HB GLU 12 -11.230 -1.103 -11.714 84 1HG GLU 12 2HG GLU 12 -13.487 -0.080 -12.065 85 2HG GLU 12 1HG GLU 12 -13.257 -0.673 -10.434 86 H LYS 13 H LYS 13 -9.814 -0.753 -8.121 87 HA LYS 13 HA LYS 13 -8.357 -2.027 -7.212 88 1HB LYS 13 2HB LYS 13 -7.805 -3.059 -9.927 89 2HB LYS 13 1HB LYS 13 -7.302 -3.858 -8.449 90 1HG LYS 13 2HG LYS 13 -10.156 -3.236 -9.287 91 2HG LYS 13 1HG LYS 13 -9.413 -4.807 -9.394 92 1HD LYS 13 2HD LYS 13 -9.149 -4.809 -6.871 93 2HD LYS 13 1HD LYS 13 -9.986 -3.273 -6.824 94 1HE LYS 13 1HE LYS 13 -11.168 -5.855 -7.894 95 2HE LYS 13 2HE LYS 13 -11.553 -5.099 -6.343 96 1HZ LYS 13 3HZ LYS 13 -12.010 -3.907 -8.993 97 2HZ LYS 13 2HZ LYS 13 -13.173 -4.675 -8.011 98 3HZ LYS 13 1HZ LYS 13 -12.428 -3.226 -7.499 99 H TRP 14 H TRP 14 -7.055 0.127 -9.787 100 HA TRP 14 HA TRP 14 -4.386 -0.505 -8.984 101 1HB TRP 14 2HB TRP 14 -3.422 0.899 -10.383 102 2HB TRP 14 1HB TRP 14 -4.855 0.425 -11.210 103 HD1 TRP 14 HD1 TRP 14 -5.968 2.302 -12.484 104 HE1 TRP 14 HE1 TRP 14 -5.702 4.850 -12.583 105 HE3 TRP 14 HE3 TRP 14 -3.127 3.038 -8.276 106 HZ2 TRP 14 HZ2 TRP 14 -4.274 6.941 -11.040 107 HZ3 TRP 14 HZ3 TRP 14 -2.473 5.309 -7.626 108 HH2 TRP 14 HH2 TRP 14 -3.113 7.232 -9.009 109 H PHE 15 H PHE 15 -6.782 1.734 -7.825 110 HA PHE 15 HA PHE 15 -4.912 2.585 -5.676 111 1HB PHE 15 2HB PHE 15 -6.422 4.195 -7.243 112 2HB PHE 15 1HB PHE 15 -7.704 3.767 -6.142 113 HD1 PHE 15 HD2 PHE 15 -4.107 4.829 -6.045 114 HD2 PHE 15 HD1 PHE 15 -7.995 5.222 -4.308 115 HE1 PHE 15 HE2 PHE 15 -3.269 6.628 -4.581 116 HE2 PHE 15 HE1 PHE 15 -7.152 7.008 -2.836 117 HZ PHE 15 HZ PHE 15 -4.790 7.727 -2.987 118 H PHE 16 H PHE 16 -5.083 1.492 -3.747 119 HA PHE 16 HA PHE 16 -7.794 0.398 -3.107 120 1HB PHE 16 2HB PHE 16 -5.893 -1.165 -4.412 121 2HB PHE 16 1HB PHE 16 -5.511 -1.567 -2.760 122 HD1 PHE 16 HD1 PHE 16 -8.681 -0.974 -4.752 123 HD2 PHE 16 HD2 PHE 16 -6.499 -3.527 -2.118 124 HE1 PHE 16 HE1 PHE 16 -10.565 -2.551 -4.737 125 HE2 PHE 16 HE2 PHE 16 -8.403 -5.109 -2.103 126 HZ PHE 16 HZ PHE 16 -10.428 -4.627 -3.420 127 H ARG 17 H ARG 17 -5.487 2.294 -1.868 128 HA ARG 17 HA ARG 17 -4.966 2.932 0.237 129 1HB ARG 17 2HB ARG 17 -7.521 1.378 0.925 130 2HB ARG 17 1HB ARG 17 -6.619 2.183 2.156 131 1HG ARG 17 2HG ARG 17 -6.784 4.321 0.968 132 2HG ARG 17 1HG ARG 17 -7.791 3.581 -0.271 133 1HD ARG 17 2HD ARG 17 -8.427 3.912 2.707 134 2HD ARG 17 1HD ARG 17 -9.278 4.692 1.379 135 HE ARG 17 HE ARG 17 -9.722 2.099 2.499 136 1HH1 ARG 17 1HH2 ARG 17 -9.887 3.836 -0.566 137 2HH1 ARG 17 2HH2 ARG 17 -11.142 2.830 -1.210 138 1HH2 ARG 17 2HH1 ARG 17 -11.345 0.797 1.626 139 2HH2 ARG 17 1HH1 ARG 17 -11.955 1.093 0.035 140 H THR 18 H THR 18 -4.635 2.200 2.479 141 HA THR 18 HA THR 18 -2.548 0.385 2.598 142 HB THR 18 HB THR 18 -2.395 2.178 4.029 143 HG1 THR 18 HG1 THR 18 -2.675 -0.175 5.824 144 1HG2 THR 18 1HG2 THR 18 -4.723 2.868 4.148 145 2HG2 THR 18 3HG2 THR 18 -5.131 1.713 5.356 146 3HG2 THR 18 2HG2 THR 18 -3.915 2.985 5.673 147 H ILE 19 H ILE 19 -3.882 -1.305 1.716 148 HA ILE 19 HA ILE 19 -5.396 -2.999 3.571 149 HB ILE 19 HB ILE 19 -5.562 -2.863 0.950 150 1HG1 ILE 19 1HG1 ILE 19 -5.605 -5.504 2.320 151 2HG1 ILE 19 2HG1 ILE 19 -6.924 -4.429 2.056 152 1HG2 ILE 19 1HG2 ILE 19 -3.034 -3.244 0.618 153 2HG2 ILE 19 3HG2 ILE 19 -3.446 -4.950 0.849 154 3HG2 ILE 19 2HG2 ILE 19 -4.182 -4.013 -0.471 155 1HD1 ILE 19 1HD1 ILE 19 -5.432 -5.799 -0.286 156 2HD1 ILE 19 3HD1 ILE 19 -7.001 -6.285 0.364 157 3HD1 ILE 19 2HD1 ILE 19 -6.802 -4.723 -0.394 158 H SER 20 H SER 20 -4.407 -5.290 3.992 159 HA SER 20 HA SER 20 -1.779 -4.705 5.116 160 1HB SER 20 2HB SER 20 -3.015 -6.469 6.237 161 2HB SER 20 1HB SER 20 -3.312 -7.335 4.822 162 HG SER 20 HG SER 20 -0.402 -7.575 5.258 163 H ARG 21 H ARG 21 0.154 -5.549 4.540 164 HA ARG 21 HA ARG 21 0.872 -5.498 1.837 165 1HB ARG 21 2HB ARG 21 2.355 -5.322 4.035 166 2HB ARG 21 1HB ARG 21 2.586 -7.033 3.864 167 1HG ARG 21 2HG ARG 21 4.434 -5.912 2.834 168 2HG ARG 21 1HG ARG 21 3.529 -6.671 1.550 169 1HD ARG 21 2HD ARG 21 2.751 -4.564 0.691 170 2HD ARG 21 1HD ARG 21 2.928 -3.778 2.273 171 HE ARG 21 HE ARG 21 5.445 -4.697 1.176 172 1HH1 ARG 21 1HH2 ARG 21 3.040 -2.144 1.101 173 2HH1 ARG 21 2HH2 ARG 21 4.170 -0.880 0.746 174 1HH2 ARG 21 2HH1 ARG 21 6.943 -3.019 0.727 175 2HH2 ARG 21 1HH1 ARG 21 6.386 -1.389 0.530 176 H LYS 22 H LYS 22 -0.245 -8.189 3.811 177 HA LYS 22 HA LYS 22 0.482 -10.138 1.715 178 1HB LYS 22 2HB LYS 22 -0.173 -11.782 3.084 179 2HB LYS 22 1HB LYS 22 0.448 -10.656 4.247 180 1HG LYS 22 2HG LYS 22 -1.531 -11.176 5.345 181 2HG LYS 22 1HG LYS 22 -2.252 -10.004 4.290 182 1HD LYS 22 2HD LYS 22 -3.614 -11.895 4.075 183 2HD LYS 22 1HD LYS 22 -2.682 -11.830 2.604 184 1HE LYS 22 1HE LYS 22 -1.546 -13.569 4.797 185 2HE LYS 22 2HE LYS 22 -3.038 -14.102 4.032 186 1HZ LYS 22 2HZ LYS 22 -1.968 -13.841 1.891 187 2HZ LYS 22 1HZ LYS 22 -0.502 -13.520 2.673 188 3HZ LYS 22 3HZ LYS 22 -1.262 -15.025 2.882 189 H ASP 23 H ASP 23 -2.129 -8.044 2.487 190 HA ASP 23 HA ASP 23 -4.052 -9.796 1.376 191 1HB ASP 23 2HB ASP 23 -4.127 -6.878 2.298 192 2HB ASP 23 1HB ASP 23 -5.488 -7.500 1.440 193 H ALA 24 H ALA 24 -2.692 -6.802 0.542 194 HA ALA 24 HA ALA 24 -3.868 -6.406 -2.015 195 1HB ALA 24 3HB ALA 24 -1.646 -5.216 -0.513 196 2HB ALA 24 2HB ALA 24 -1.175 -5.371 -2.211 197 3HB ALA 24 1HB ALA 24 -2.632 -4.487 -1.817 198 H GLU 25 H GLU 25 -0.919 -8.049 -1.031 199 HA GLU 25 HA GLU 25 -0.004 -8.801 -3.589 200 1HB GLU 25 2HB GLU 25 0.482 -9.598 -0.689 201 2HB GLU 25 1HB GLU 25 1.269 -10.479 -1.943 202 1HG GLU 25 2HG GLU 25 2.623 -8.609 -0.856 203 2HG GLU 25 1HG GLU 25 2.658 -8.720 -2.572 204 H ARG 26 H ARG 26 -2.422 -10.074 -1.322 205 HA ARG 26 HA ARG 26 -2.407 -12.752 -2.334 206 1HB ARG 26 2HB ARG 26 -4.230 -13.169 -0.934 207 2HB ARG 26 1HB ARG 26 -3.605 -11.751 -0.186 208 1HG ARG 26 2HG ARG 26 -5.565 -10.613 -1.852 209 2HG ARG 26 1HG ARG 26 -6.172 -12.199 -1.601 210 1HD ARG 26 2HD ARG 26 -5.792 -11.605 0.998 211 2HD ARG 26 1HD ARG 26 -5.858 -9.940 0.371 212 HE ARG 26 HE ARG 26 -8.001 -11.289 -0.787 213 1HH1 ARG 26 1HH2 ARG 26 -6.852 -10.410 2.457 214 2HH1 ARG 26 2HH2 ARG 26 -8.447 -10.286 3.102 215 1HH2 ARG 26 2HH1 ARG 26 -10.072 -11.079 0.118 216 2HH2 ARG 26 1HH1 ARG 26 -10.267 -10.660 1.785 217 H GLN 27 H GLN 27 -3.854 -9.768 -3.131 218 HA GLN 27 HA GLN 27 -5.817 -10.819 -4.998 219 1HB GLN 27 2HB GLN 27 -4.852 -7.919 -4.829 220 2HB GLN 27 1HB GLN 27 -6.242 -8.507 -5.708 221 1HG GLN 27 2HG GLN 27 -6.996 -9.506 -3.367 222 2HG GLN 27 1HG GLN 27 -5.867 -8.340 -2.698 223 1HE2 GLN 27 2HE2 GLN 27 -9.292 -6.949 -2.735 224 2HE2 GLN 27 1HE2 GLN 27 -8.463 -8.317 -2.065 225 H LEU 28 H LEU 28 -2.515 -9.387 -5.458 226 HA LEU 28 HA LEU 28 -2.910 -9.590 -8.308 227 1HB LEU 28 2HB LEU 28 -0.441 -8.982 -6.714 228 2HB LEU 28 1HB LEU 28 -0.552 -8.792 -8.464 229 HG LEU 28 HG LEU 28 -2.396 -7.423 -6.504 230 1HD1 LEU 28 1HD1 LEU 28 0.195 -6.522 -7.812 231 2HD1 LEU 28 3HD1 LEU 28 -0.982 -5.410 -7.143 232 3HD1 LEU 28 2HD1 LEU 28 -0.242 -6.598 -6.087 233 1HD2 LEU 28 1HD2 LEU 28 -2.160 -7.426 -9.492 234 2HD2 LEU 28 3HD2 LEU 28 -3.608 -7.371 -8.510 235 3HD2 LEU 28 2HD2 LEU 28 -2.612 -5.926 -8.709 236 H LEU 29 H LEU 29 -1.274 -11.573 -5.765 237 HA LEU 29 HA LEU 29 -0.084 -13.453 -7.458 238 1HB LEU 29 2HB LEU 29 -1.209 -13.633 -4.637 239 2HB LEU 29 1HB LEU 29 -0.316 -14.941 -5.353 240 HG LEU 29 HG LEU 29 0.858 -12.135 -5.130 241 1HD1 LEU 29 1HD1 LEU 29 0.202 -12.962 -2.914 242 2HD1 LEU 29 3HD1 LEU 29 1.197 -14.399 -3.144 243 3HD1 LEU 29 2HD1 LEU 29 1.946 -12.794 -3.090 244 1HD2 LEU 29 3HD2 LEU 29 2.124 -14.907 -5.583 245 2HD2 LEU 29 2HD2 LEU 29 2.049 -13.607 -6.760 246 3HD2 LEU 29 1HD2 LEU 29 2.995 -13.408 -5.288 247 H ALA 30 H ALA 30 -3.437 -12.920 -6.620 248 HA ALA 30 HA ALA 30 -4.489 -15.476 -6.818 249 1HB ALA 30 3HB ALA 30 -5.789 -13.400 -6.185 250 2HB ALA 30 2HB ALA 30 -5.771 -12.882 -7.869 251 3HB ALA 30 1HB ALA 30 -6.632 -14.343 -7.407 252 HA PRO 31 HA PRO 31 -3.760 -16.688 -11.021 253 1HB PRO 31 2HB PRO 31 -5.780 -18.563 -11.377 254 2HB PRO 31 1HB PRO 31 -4.353 -18.810 -10.382 255 1HG PRO 31 2HG PRO 31 -7.069 -17.925 -9.448 256 2HG PRO 31 1HG PRO 31 -6.033 -19.173 -8.725 257 1HD PRO 31 1HD PRO 31 -6.161 -16.673 -7.700 258 2HD PRO 31 2HD PRO 31 -4.621 -17.569 -7.730 259 H MET 32 H MET 32 -6.384 -14.770 -10.120 260 HA MET 32 HA MET 32 -7.973 -14.701 -12.415 261 1HB MET 32 2HB MET 32 -7.374 -13.056 -9.933 262 2HB MET 32 1HB MET 32 -8.599 -12.532 -11.026 263 1HG MET 32 2HG MET 32 -10.090 -14.185 -10.410 264 2HG MET 32 1HG MET 32 -8.849 -15.385 -10.100 265 1HE MET 32 3HE MET 32 -10.471 -12.076 -8.804 266 2HE MET 32 2HE MET 32 -9.800 -11.915 -7.181 267 3HE MET 32 1HE MET 32 -8.765 -11.696 -8.608 268 H ASN 33 H ASN 33 -5.091 -13.054 -11.254 269 HA ASN 33 HA ASN 33 -5.007 -11.329 -13.680 270 1HB ASN 33 2HB ASN 33 -3.907 -10.481 -10.929 271 2HB ASN 33 1HB ASN 33 -4.209 -9.501 -12.357 272 1HD2 ASN 33 2HD2 ASN 33 -7.092 -9.976 -9.611 273 2HD2 ASN 33 1HD2 ASN 33 -5.481 -10.550 -9.376 274 H LYS 34 H LYS 34 -2.759 -10.291 -13.876 275 HA LYS 34 HA LYS 34 -0.515 -11.968 -13.166 276 1HB LYS 34 2HB LYS 34 0.180 -12.325 -15.617 277 2HB LYS 34 1HB LYS 34 -1.048 -13.328 -14.960 278 1HG LYS 34 2HG LYS 34 -1.664 -12.644 -17.227 279 2HG LYS 34 1HG LYS 34 -2.827 -12.124 -16.053 280 1HD LYS 34 2HD LYS 34 -2.669 -10.257 -17.426 281 2HD LYS 34 1HD LYS 34 -1.645 -9.825 -16.116 282 1HE LYS 34 1HE LYS 34 -0.757 -10.854 -18.853 283 2HE LYS 34 2HE LYS 34 -0.612 -9.209 -18.262 284 1HZ LYS 34 1HZ LYS 34 0.801 -11.547 -17.167 285 2HZ LYS 34 3HZ LYS 34 1.451 -10.359 -18.196 286 3HZ LYS 34 2HZ LYS 34 0.939 -9.939 -16.637 287 H ALA 35 H ALA 35 1.551 -11.162 -14.006 288 HA ALA 35 HA ALA 35 2.330 -8.804 -13.215 289 1HB ALA 35 2HB ALA 35 3.868 -10.426 -14.310 290 2HB ALA 35 1HB ALA 35 3.261 -9.976 -15.896 291 3HB ALA 35 3HB ALA 35 4.154 -8.810 -14.916 292 H GLY 36 H GLY 36 1.870 -6.778 -13.414 293 1HA GLY 36 2HA GLY 36 1.751 -4.840 -14.704 294 2HA GLY 36 1HA GLY 36 0.830 -5.680 -15.962 295 H SER 37 H SER 37 -0.819 -7.053 -13.946 296 HA SER 37 HA SER 37 -2.699 -5.155 -13.072 297 1HB SER 37 2HB SER 37 -3.568 -7.041 -11.603 298 2HB SER 37 1HB SER 37 -3.550 -7.455 -13.228 299 HG SER 37 HG SER 37 -1.070 -8.604 -12.248 300 H PHE 38 H PHE 38 -2.539 -3.723 -11.498 301 HA PHE 38 HA PHE 38 -0.573 -4.179 -9.295 302 1HB PHE 38 2HB PHE 38 -1.223 -1.590 -10.929 303 2HB PHE 38 1HB PHE 38 -0.380 -1.525 -9.425 304 HD1 PHE 38 HD1 PHE 38 0.624 -4.128 -11.955 305 HD2 PHE 38 HD2 PHE 38 1.271 -0.239 -10.363 306 HE1 PHE 38 HE1 PHE 38 2.740 -3.947 -13.166 307 HE2 PHE 38 HE2 PHE 38 3.488 -0.190 -11.372 308 HZ PHE 38 HZ PHE 38 4.238 -2.092 -12.801 309 H LEU 39 H LEU 39 -0.938 -2.677 -7.538 310 HA LEU 39 HA LEU 39 -3.597 -1.442 -7.071 311 1HB LEU 39 2HB LEU 39 -2.268 -2.652 -4.618 312 2HB LEU 39 1HB LEU 39 -3.936 -2.469 -4.945 313 HG LEU 39 HG LEU 39 -2.573 -4.508 -6.597 314 1HD1 LEU 39 2HD1 LEU 39 -1.567 -4.553 -4.158 315 2HD1 LEU 39 1HD1 LEU 39 -3.142 -5.202 -3.738 316 3HD1 LEU 39 3HD1 LEU 39 -2.095 -6.038 -4.892 317 1HD2 LEU 39 1HD2 LEU 39 -5.037 -4.325 -6.547 318 2HD2 LEU 39 3HD2 LEU 39 -4.289 -5.885 -6.070 319 3HD2 LEU 39 2HD2 LEU 39 -4.927 -4.779 -4.805 320 H ILE 40 H ILE 40 -3.211 0.117 -4.909 321 HA ILE 40 HA ILE 40 -0.278 0.477 -4.583 322 HB ILE 40 HB ILE 40 -1.433 1.845 -6.687 323 1HG1 ILE 40 1HG1 ILE 40 0.535 3.564 -5.137 324 2HG1 ILE 40 2HG1 ILE 40 1.062 1.960 -5.578 325 1HG2 ILE 40 3HG2 ILE 40 -2.917 3.201 -5.186 326 2HG2 ILE 40 1HG2 ILE 40 -1.435 3.854 -4.433 327 3HG2 ILE 40 2HG2 ILE 40 -1.715 4.179 -6.088 328 1HD1 ILE 40 2HD1 ILE 40 0.143 2.475 -8.036 329 2HD1 ILE 40 1HD1 ILE 40 -0.040 4.074 -7.456 330 3HD1 ILE 40 3HD1 ILE 40 1.584 3.323 -7.494 331 H ARG 41 H ARG 41 -0.443 -0.152 -2.518 332 HA ARG 41 HA ARG 41 -2.626 0.756 -0.945 333 1HB ARG 41 2HB ARG 41 -1.865 -0.795 0.672 334 2HB ARG 41 1HB ARG 41 -1.582 -1.526 -0.861 335 1HG ARG 41 2HG ARG 41 0.421 -2.042 0.143 336 2HG ARG 41 1HG ARG 41 0.870 -0.520 -0.574 337 1HD ARG 41 2HD ARG 41 1.664 -0.584 1.769 338 2HD ARG 41 1HD ARG 41 0.355 0.603 1.667 339 HE ARG 41 HE ARG 41 -0.636 -1.975 2.393 340 1HH1 ARG 41 1HH2 ARG 41 1.138 0.813 3.687 341 2HH1 ARG 41 2HH2 ARG 41 0.696 0.452 5.329 342 1HH2 ARG 41 2HH1 ARG 41 -1.143 -2.383 4.532 343 2HH2 ARG 41 1HH1 ARG 41 -0.596 -1.334 5.809 344 H GLU 42 H GLU 42 -2.700 2.321 0.536 345 HA GLU 42 HA GLU 42 -0.589 4.291 0.407 346 1HB GLU 42 2HB GLU 42 -1.986 5.779 1.511 347 2HB GLU 42 1HB GLU 42 -3.176 4.672 0.853 348 1HG GLU 42 2HG GLU 42 -3.355 3.550 2.906 349 2HG GLU 42 1HG GLU 42 -2.172 4.534 3.748 350 H SER 43 H SER 43 0.616 5.195 2.240 351 HA SER 43 HA SER 43 1.423 2.951 4.015 352 1HB SER 43 2HB SER 43 3.477 4.163 3.327 353 2HB SER 43 1HB SER 43 2.674 5.578 3.178 354 HG SER 43 HG SER 43 2.754 5.036 6.092 355 H GLU 44 H GLU 44 0.179 2.850 5.754 356 HA GLU 44 HA GLU 44 -1.498 4.985 6.597 357 1HB GLU 44 2HB GLU 44 -2.001 3.381 8.521 358 2HB GLU 44 1HB GLU 44 -2.195 2.793 6.901 359 1HG GLU 44 2HG GLU 44 0.067 1.605 7.048 360 2HG GLU 44 1HG GLU 44 0.240 2.200 8.676 361 H SER 45 H SER 45 1.659 4.040 7.437 362 HA SER 45 HA SER 45 1.906 5.296 10.024 363 1HB SER 45 2HB SER 45 4.411 4.630 9.418 364 2HB SER 45 1HB SER 45 3.271 3.464 9.845 365 HG SER 45 HG SER 45 3.217 3.556 6.888 366 H ASN 46 H ASN 46 2.070 6.740 6.733 367 HA ASN 46 HA ASN 46 3.792 8.872 7.915 368 1HB ASN 46 2HB ASN 46 4.864 9.058 5.801 369 2HB ASN 46 1HB ASN 46 4.728 7.385 5.756 370 1HD2 ASN 46 2HD2 ASN 46 1.799 7.693 3.519 371 2HD2 ASN 46 1HD2 ASN 46 2.160 6.928 4.995 372 H LYS 47 H LYS 47 3.635 10.722 6.059 373 HA LYS 47 HA LYS 47 0.929 11.709 5.971 374 1HB LYS 47 2HB LYS 47 1.661 13.797 6.357 375 2HB LYS 47 1HB LYS 47 2.743 12.846 7.329 376 1HG LYS 47 2HG LYS 47 3.207 14.090 4.665 377 2HG LYS 47 1HG LYS 47 3.962 14.569 6.160 378 1HD LYS 47 2HD LYS 47 4.436 11.842 4.895 379 2HD LYS 47 1HD LYS 47 5.399 13.215 4.443 380 1HE LYS 47 1HE LYS 47 5.129 12.327 7.347 381 2HE LYS 47 2HE LYS 47 6.415 11.748 6.292 382 1HZ LYS 47 2HZ LYS 47 5.890 14.570 6.914 383 2HZ LYS 47 1HZ LYS 47 7.071 13.607 7.668 384 3HZ LYS 47 3HZ LYS 47 7.188 13.963 6.013 385 H GLY 48 H GLY 48 0.247 10.431 4.256 386 1HA GLY 48 2HA GLY 48 -0.599 10.633 2.112 387 2HA GLY 48 1HA GLY 48 0.538 11.949 1.771 388 H ALA 49 H ALA 49 2.120 9.231 2.823 389 HA ALA 49 HA ALA 49 3.233 8.736 0.129 390 1HB ALA 49 2HB ALA 49 4.895 8.596 2.184 391 2HB ALA 49 1HB ALA 49 4.132 7.097 2.642 392 3HB ALA 49 3HB ALA 49 4.936 7.233 1.106 393 H PHE 50 H PHE 50 3.510 6.575 -0.691 394 HA PHE 50 HA PHE 50 1.320 4.698 -0.026 395 1HB PHE 50 2HB PHE 50 1.754 6.192 -2.666 396 2HB PHE 50 1HB PHE 50 1.184 4.577 -2.773 397 HD1 PHE 50 HD2 PHE 50 0.417 7.861 -1.154 398 HD2 PHE 50 HD1 PHE 50 -1.049 4.044 -2.360 399 HE1 PHE 50 HE2 PHE 50 -1.871 8.546 -0.546 400 HE2 PHE 50 HE1 PHE 50 -3.350 4.769 -1.872 401 HZ PHE 50 HZ PHE 50 -3.757 7.020 -0.938 402 H SER 51 H SER 51 1.683 2.861 -1.944 403 HA SER 51 HA SER 51 4.404 2.080 -2.324 404 1HB SER 51 2HB SER 51 2.916 -0.179 -0.949 405 2HB SER 51 1HB SER 51 4.548 0.173 -0.988 406 HG SER 51 HG SER 51 3.221 2.159 0.816 407 H LEU 52 H LEU 52 4.554 0.256 -3.839 408 HA LEU 52 HA LEU 52 1.938 -0.199 -5.231 409 1HB LEU 52 2HB LEU 52 3.406 1.578 -6.200 410 2HB LEU 52 1HB LEU 52 4.733 0.477 -6.297 411 HG LEU 52 HG LEU 52 3.578 -0.793 -8.073 412 1HD1 LEU 52 2HD1 LEU 52 1.238 0.590 -7.027 413 2HD1 LEU 52 1HD1 LEU 52 1.366 0.886 -8.710 414 3HD1 LEU 52 3HD1 LEU 52 1.314 -0.786 -8.099 415 1HD2 LEU 52 2HD2 LEU 52 3.681 2.246 -8.461 416 2HD2 LEU 52 1HD2 LEU 52 4.919 1.069 -8.897 417 3HD2 LEU 52 3HD2 LEU 52 3.394 1.151 -9.784 418 H SER 53 H SER 53 1.333 -2.066 -5.587 419 HA SER 53 HA SER 53 3.182 -4.341 -5.260 420 1HB SER 53 2HB SER 53 0.094 -4.523 -5.486 421 2HB SER 53 1HB SER 53 1.142 -5.640 -4.771 422 HG SER 53 HG SER 53 1.106 -3.119 -3.108 423 H VAL 54 H VAL 54 3.612 -5.644 -7.006 424 HA VAL 54 HA VAL 54 1.828 -5.563 -9.391 425 HB VAL 54 HB VAL 54 4.891 -5.299 -9.717 426 1HG1 VAL 54 3HG1 VAL 54 2.680 -5.515 -11.708 427 2HG1 VAL 54 2HG1 VAL 54 4.314 -4.872 -12.078 428 3HG1 VAL 54 1HG1 VAL 54 4.102 -6.499 -11.517 429 1HG2 VAL 54 1HG2 VAL 54 2.823 -3.140 -9.809 430 2HG2 VAL 54 3HG2 VAL 54 4.112 -3.258 -8.679 431 3HG2 VAL 54 2HG2 VAL 54 4.524 -2.995 -10.350 432 H LYS 55 H LYS 55 1.782 -7.674 -10.515 433 HA LYS 55 HA LYS 55 2.931 -9.751 -8.813 434 1HB LYS 55 2HB LYS 55 0.815 -10.052 -9.969 435 2HB LYS 55 1HB LYS 55 1.650 -9.927 -11.505 436 1HG LYS 55 2HG LYS 55 2.189 -12.096 -11.519 437 2HG LYS 55 1HG LYS 55 2.989 -11.992 -10.006 438 1HD LYS 55 2HD LYS 55 1.382 -13.501 -9.416 439 2HD LYS 55 1HD LYS 55 0.537 -12.055 -8.994 440 1HE LYS 55 1HE LYS 55 -0.754 -12.095 -11.087 441 2HE LYS 55 2HE LYS 55 0.278 -13.351 -11.751 442 1HZ LYS 55 3HZ LYS 55 -0.505 -14.822 -10.008 443 2HZ LYS 55 2HZ LYS 55 -1.647 -13.630 -9.570 444 3HZ LYS 55 1HZ LYS 55 -1.694 -14.307 -11.115 445 H ASP 56 H ASP 56 5.381 -9.948 -8.862 446 HA ASP 56 HA ASP 56 6.488 -9.801 -11.570 447 1HB ASP 56 2HB ASP 56 7.599 -9.627 -8.920 448 2HB ASP 56 1HB ASP 56 8.318 -11.032 -9.624 449 H ILE 57 H ILE 57 6.991 -11.441 -12.880 450 HA ILE 57 HA ILE 57 6.311 -14.184 -11.911 451 HB ILE 57 HB ILE 57 5.618 -13.051 -14.630 452 1HG1 ILE 57 1HG1 ILE 57 3.967 -13.547 -12.125 453 2HG1 ILE 57 2HG1 ILE 57 4.118 -12.064 -13.014 454 1HG2 ILE 57 1HG2 ILE 57 6.148 -15.511 -14.675 455 2HG2 ILE 57 3HG2 ILE 57 4.969 -15.776 -13.394 456 3HG2 ILE 57 2HG2 ILE 57 4.462 -15.229 -14.993 457 1HD1 ILE 57 3HD1 ILE 57 2.891 -13.160 -14.950 458 2HD1 ILE 57 2HD1 ILE 57 2.665 -14.573 -13.903 459 3HD1 ILE 57 1HD1 ILE 57 1.934 -13.041 -13.471 460 H THR 58 H THR 58 7.564 -15.766 -12.396 461 HA THR 58 HA THR 58 9.661 -15.594 -14.397 462 HB THR 58 HB THR 58 10.655 -14.447 -12.476 463 HG1 THR 58 HG1 THR 58 12.086 -17.046 -12.785 464 1HG2 THR 58 3HG2 THR 58 9.775 -16.748 -10.650 465 2HG2 THR 58 2HG2 THR 58 10.943 -15.503 -10.178 466 3HG2 THR 58 1HG2 THR 58 9.339 -15.070 -10.656 467 H THR 59 H THR 59 11.049 -17.640 -14.306 468 HA THR 59 HA THR 59 9.168 -19.867 -14.069 469 HB THR 59 HB THR 59 10.381 -19.831 -16.031 470 HG1 THR 59 HG1 THR 59 11.328 -22.229 -14.509 471 1HG2 THR 59 2HG2 THR 59 13.072 -19.587 -14.550 472 2HG2 THR 59 1HG2 THR 59 12.902 -19.990 -16.248 473 3HG2 THR 59 3HG2 THR 59 12.264 -18.505 -15.684 474 H GLN 60 H GLN 60 10.614 -18.427 -11.720 475 HA GLN 60 HA GLN 60 11.303 -20.987 -10.316 476 1HB GLN 60 2HB GLN 60 12.596 -18.284 -9.875 477 2HB GLN 60 1HB GLN 60 12.869 -19.655 -8.891 478 1HG GLN 60 2HG GLN 60 13.416 -19.916 -11.898 479 2HG GLN 60 1HG GLN 60 14.584 -19.183 -10.820 480 1HE2 GLN 60 2HE2 GLN 60 13.889 -23.212 -10.869 481 2HE2 GLN 60 1HE2 GLN 60 12.898 -22.095 -11.742 482 H GLY 61 H GLY 61 8.792 -19.102 -10.582 483 1HA GLY 61 2HA GLY 61 7.096 -19.688 -8.888 484 2HA GLY 61 1HA GLY 61 8.228 -19.054 -7.639 485 H GLU 62 H GLU 62 5.398 -18.370 -8.833 486 HA GLU 62 HA GLU 62 5.658 -15.697 -9.765 487 1HB GLU 62 2HB GLU 62 3.741 -17.577 -9.971 488 2HB GLU 62 1HB GLU 62 3.116 -16.813 -8.511 489 1HG GLU 62 2HG GLU 62 3.216 -14.585 -9.689 490 2HG GLU 62 1HG GLU 62 3.801 -15.427 -11.114 491 H VAL 63 H VAL 63 5.462 -13.780 -8.645 492 HA VAL 63 HA VAL 63 4.988 -13.824 -5.732 493 HB VAL 63 HB VAL 63 6.971 -12.438 -5.368 494 1HG1 VAL 63 3HG1 VAL 63 7.261 -14.911 -5.283 495 2HG1 VAL 63 2HG1 VAL 63 7.872 -14.877 -6.936 496 3HG1 VAL 63 1HG1 VAL 63 8.740 -14.034 -5.664 497 1HG2 VAL 63 2HG2 VAL 63 7.000 -11.282 -7.657 498 2HG2 VAL 63 1HG2 VAL 63 8.570 -11.833 -7.122 499 3HG2 VAL 63 3HG2 VAL 63 7.682 -12.751 -8.332 500 H VAL 64 H VAL 64 5.619 -11.191 -5.398 501 HA VAL 64 HA VAL 64 4.100 -9.572 -7.261 502 HB VAL 64 HB VAL 64 3.314 -9.995 -4.412 503 1HG1 VAL 64 3HG1 VAL 64 2.721 -7.459 -5.991 504 2HG1 VAL 64 2HG1 VAL 64 1.839 -7.975 -4.577 505 3HG1 VAL 64 1HG1 VAL 64 3.544 -7.513 -4.401 506 1HG2 VAL 64 2HG2 VAL 64 2.060 -10.988 -6.432 507 2HG2 VAL 64 1HG2 VAL 64 1.087 -9.941 -5.363 508 3HG2 VAL 64 3HG2 VAL 64 1.690 -9.318 -6.875 509 H LYS 65 H LYS 65 4.590 -7.197 -6.191 510 HA LYS 65 HA LYS 65 7.476 -6.968 -5.522 511 1HB LYS 65 2HB LYS 65 5.973 -5.478 -7.770 512 2HB LYS 65 1HB LYS 65 7.586 -5.042 -7.270 513 1HG LYS 65 2HG LYS 65 6.856 -7.792 -8.306 514 2HG LYS 65 1HG LYS 65 7.396 -6.580 -9.350 515 1HD LYS 65 2HD LYS 65 9.178 -7.029 -6.954 516 2HD LYS 65 1HD LYS 65 9.085 -8.322 -8.089 517 1HE LYS 65 1HE LYS 65 9.615 -6.545 -9.943 518 2HE LYS 65 2HE LYS 65 10.098 -5.504 -8.598 519 1HZ LYS 65 1HZ LYS 65 11.592 -7.273 -7.899 520 2HZ LYS 65 3HZ LYS 65 11.099 -8.196 -9.240 521 3HZ LYS 65 2HZ LYS 65 11.928 -6.730 -9.475 522 H HIS 66 H HIS 66 8.056 -4.604 -4.974 523 HA HIS 66 HA HIS 66 5.771 -3.167 -3.771 524 1HB HIS 66 2HB HIS 66 8.446 -3.886 -2.361 525 2HB HIS 66 1HB HIS 66 7.246 -2.810 -1.699 526 HD1 HIS 66 HD1 HIS 66 4.792 -4.890 -2.478 527 HD2 HIS 66 HD2 HIS 66 8.313 -5.650 -0.333 528 HE1 HIS 66 HE1 HIS 66 4.351 -6.898 -0.966 529 H TYR 67 H TYR 67 6.042 -0.976 -4.455 530 HA TYR 67 HA TYR 67 8.849 0.064 -4.676 531 1HB TYR 67 2HB TYR 67 6.664 1.129 -6.530 532 2HB TYR 67 1HB TYR 67 8.374 1.429 -6.574 533 HD1 TYR 67 HD2 TYR 67 5.867 -1.243 -6.928 534 HD2 TYR 67 HD1 TYR 67 9.782 0.090 -7.871 535 HE1 TYR 67 HE2 TYR 67 6.117 -3.197 -8.200 536 HE2 TYR 67 HE1 TYR 67 10.128 -1.858 -9.310 537 HH TYR 67 HH TYR 67 7.909 -3.704 -10.624 538 H LYS 68 H LYS 68 9.244 1.681 -3.448 539 HA LYS 68 HA LYS 68 7.105 2.772 -1.823 540 1HB LYS 68 2HB LYS 68 9.158 4.049 -0.731 541 2HB LYS 68 1HB LYS 68 8.728 2.414 -0.372 542 1HG LYS 68 2HG LYS 68 11.124 2.572 -0.725 543 2HG LYS 68 1HG LYS 68 10.347 1.519 -1.875 544 1HD LYS 68 2HD LYS 68 11.951 2.753 -3.148 545 2HD LYS 68 1HD LYS 68 10.394 3.393 -3.570 546 1HE LYS 68 1HE LYS 68 11.862 5.291 -3.287 547 2HE LYS 68 2HE LYS 68 10.825 5.300 -1.865 548 1HZ LYS 68 1HZ LYS 68 13.552 4.192 -2.008 549 2HZ LYS 68 3HZ LYS 68 13.100 5.675 -1.320 550 3HZ LYS 68 2HZ LYS 68 12.559 4.219 -0.638 551 H ILE 69 H ILE 69 5.950 4.045 -2.732 552 HA ILE 69 HA ILE 69 7.010 6.405 -4.228 553 HB ILE 69 HB ILE 69 4.443 7.074 -4.147 554 1HG1 ILE 69 1HG1 ILE 69 3.869 4.819 -3.070 555 2HG1 ILE 69 2HG1 ILE 69 2.856 5.611 -4.216 556 1HG2 ILE 69 1HG2 ILE 69 5.837 7.084 -6.131 557 2HG2 ILE 69 3HG2 ILE 69 5.192 5.480 -6.509 558 3HG2 ILE 69 2HG2 ILE 69 4.095 6.844 -6.234 559 1HD1 ILE 69 3HD1 ILE 69 3.547 4.166 -6.062 560 2HD1 ILE 69 2HD1 ILE 69 4.535 3.212 -4.942 561 3HD1 ILE 69 1HD1 ILE 69 2.770 3.331 -4.762 562 H ARG 70 H ARG 70 7.870 7.909 -2.920 563 HA ARG 70 HA ARG 70 6.564 8.496 -0.336 564 1HB ARG 70 2HB ARG 70 8.988 9.564 -1.853 565 2HB ARG 70 1HB ARG 70 8.321 10.545 -0.600 566 1HG ARG 70 2HG ARG 70 10.020 9.397 0.470 567 2HG ARG 70 1HG ARG 70 8.567 8.570 1.007 568 1HD ARG 70 2HD ARG 70 8.961 6.769 -0.661 569 2HD ARG 70 1HD ARG 70 10.313 7.692 -1.321 570 HE ARG 70 HE ARG 70 11.633 7.177 0.523 571 1HH1 ARG 70 1HH2 ARG 70 8.350 5.888 1.023 572 2HH1 ARG 70 2HH2 ARG 70 8.830 4.971 2.410 573 1HH2 ARG 70 2HH1 ARG 70 12.160 5.946 2.351 574 2HH2 ARG 70 1HH1 ARG 70 10.957 4.995 3.150 575 H SER 71 H SER 71 5.968 10.746 0.039 576 HA SER 71 HA SER 71 4.613 11.859 -2.395 577 1HB SER 71 1HB SER 71 2.739 12.633 -1.007 578 2HB SER 71 2HB SER 71 2.897 10.955 -1.039 579 HG SER 71 HG SER 71 4.157 11.821 1.495 580 H LEU 72 H LEU 72 5.393 13.702 -3.042 581 HA LEU 72 HA LEU 72 6.786 15.445 -1.150 582 1HB LEU 72 2HB LEU 72 6.927 15.652 -4.170 583 2HB LEU 72 1HB LEU 72 8.106 16.118 -2.982 584 HG LEU 72 HG LEU 72 8.978 14.319 -3.974 585 1HD1 LEU 72 3HD1 LEU 72 8.177 13.969 -1.202 586 2HD1 LEU 72 2HD1 LEU 72 8.455 12.416 -1.986 587 3HD1 LEU 72 1HD1 LEU 72 9.695 13.684 -1.979 588 1HD2 LEU 72 3HD2 LEU 72 6.607 13.590 -4.938 589 2HD2 LEU 72 2HD2 LEU 72 7.924 12.455 -4.902 590 3HD2 LEU 72 1HD2 LEU 72 6.705 12.384 -3.651 591 H ASP 73 H ASP 73 6.180 17.239 -0.741 592 HA ASP 73 HA ASP 73 3.533 18.190 -1.242 593 1HB ASP 73 2HB ASP 73 4.308 20.380 -0.251 594 2HB ASP 73 1HB ASP 73 4.700 18.996 0.760 595 H ASN 74 H ASN 74 6.499 18.627 -2.949 596 HA ASN 74 HA ASN 74 5.153 20.514 -4.813 597 1HB ASN 74 2HB ASN 74 7.346 21.566 -5.191 598 2HB ASN 74 1HB ASN 74 6.930 21.599 -3.489 599 1HD2 ASN 74 2HD2 ASN 74 9.571 19.567 -2.371 600 2HD2 ASN 74 1HD2 ASN 74 8.032 20.242 -2.000 601 H GLY 75 H GLY 75 5.906 17.427 -4.634 602 1HA GLY 75 2HA GLY 75 6.365 17.273 -7.570 603 2HA GLY 75 1HA GLY 75 7.596 16.503 -6.518 604 H GLY 76 H GLY 76 4.330 16.314 -5.504 605 1HA GLY 76 2HA GLY 76 2.690 14.685 -5.656 606 2HA GLY 76 1HA GLY 76 3.484 14.180 -7.173 607 H TYR 77 H TYR 77 5.072 12.624 -7.238 608 HA TYR 77 HA TYR 77 5.582 11.087 -4.868 609 1HB TYR 77 2HB TYR 77 4.071 9.585 -7.128 610 2HB TYR 77 1HB TYR 77 4.775 8.915 -5.682 611 HD1 TYR 77 HD2 TYR 77 2.178 11.128 -6.901 612 HD2 TYR 77 HD1 TYR 77 3.678 8.961 -3.608 613 HE1 TYR 77 HE2 TYR 77 0.094 11.589 -5.772 614 HE2 TYR 77 HE1 TYR 77 1.694 9.384 -2.329 615 HH TYR 77 HH TYR 77 -1.164 10.129 -3.326 616 H TYR 78 H TYR 78 7.222 9.866 -4.961 617 HA TYR 78 HA TYR 78 8.567 9.411 -7.587 618 1HB TYR 78 2HB TYR 78 10.658 10.275 -6.998 619 2HB TYR 78 1HB TYR 78 9.598 11.460 -6.345 620 HD1 TYR 78 HD2 TYR 78 11.652 8.495 -5.424 621 HD2 TYR 78 HD1 TYR 78 9.782 12.076 -4.018 622 HE1 TYR 78 HE2 TYR 78 12.634 8.100 -3.322 623 HE2 TYR 78 HE1 TYR 78 10.756 11.777 -1.887 624 HH TYR 78 HH TYR 78 13.205 10.086 -0.981 625 H ILE 79 H ILE 79 9.430 7.547 -7.906 626 HA ILE 79 HA ILE 79 9.581 5.579 -5.674 627 HB ILE 79 HB ILE 79 9.473 3.847 -7.708 628 1HG1 ILE 79 1HG1 ILE 79 7.788 6.223 -8.588 629 2HG1 ILE 79 2HG1 ILE 79 9.106 5.494 -9.471 630 1HG2 ILE 79 1HG2 ILE 79 7.169 4.860 -6.107 631 2HG2 ILE 79 3HG2 ILE 79 7.222 3.336 -7.022 632 3HG2 ILE 79 2HG2 ILE 79 8.317 3.596 -5.698 633 1HD1 ILE 79 3HD1 ILE 79 7.707 3.383 -9.649 634 2HD1 ILE 79 2HD1 ILE 79 6.404 4.200 -8.799 635 3HD1 ILE 79 1HD1 ILE 79 6.893 4.815 -10.341 636 H SER 80 H SER 80 11.251 7.437 -7.695 637 HA SER 80 HA SER 80 13.781 6.606 -6.706 638 1HB SER 80 2HB SER 80 13.745 7.049 -9.695 639 2HB SER 80 1HB SER 80 14.862 6.184 -8.790 640 HG SER 80 HG SER 80 12.360 4.569 -8.886 641 HA PRO 81 HA PRO 81 12.999 10.950 -6.441 642 1HB PRO 81 2HB PRO 81 15.887 11.487 -6.110 643 2HB PRO 81 1HB PRO 81 14.512 11.758 -4.994 644 1HG PRO 81 2HG PRO 81 16.376 9.760 -4.621 645 2HG PRO 81 1HG PRO 81 14.696 9.651 -4.080 646 1HD PRO 81 1HD PRO 81 15.947 8.389 -6.472 647 2HD PRO 81 2HD PRO 81 14.692 7.778 -5.352 648 H ARG 82 H ARG 82 15.224 9.764 -8.846 649 HA ARG 82 HA ARG 82 15.407 12.300 -10.186 650 1HB ARG 82 2HB ARG 82 16.646 11.314 -11.890 651 2HB ARG 82 1HB ARG 82 17.199 10.605 -10.405 652 1HG ARG 82 2HG ARG 82 15.178 9.234 -12.241 653 2HG ARG 82 1HG ARG 82 16.899 9.074 -12.452 654 1HD ARG 82 2HD ARG 82 17.109 7.994 -10.213 655 2HD ARG 82 1HD ARG 82 15.409 8.317 -9.920 656 HE ARG 82 HE ARG 82 14.811 6.546 -11.279 657 1HH1 ARG 82 1HH2 ARG 82 18.213 7.280 -11.789 658 2HH1 ARG 82 2HH2 ARG 82 18.482 5.910 -12.813 659 1HH2 ARG 82 2HH1 ARG 82 15.175 4.778 -12.627 660 2HH2 ARG 82 1HH1 ARG 82 16.747 4.489 -13.290 661 H ILE 83 H ILE 83 13.272 9.552 -10.333 662 HA ILE 83 HA ILE 83 11.669 10.808 -12.500 663 HB ILE 83 HB ILE 83 10.577 8.602 -12.686 664 1HG1 ILE 83 1HG1 ILE 83 13.196 7.409 -11.822 665 2HG1 ILE 83 2HG1 ILE 83 12.010 7.797 -10.580 666 1HG2 ILE 83 2HG2 ILE 83 11.922 9.561 -14.482 667 2HG2 ILE 83 1HG2 ILE 83 13.393 8.877 -13.783 668 3HG2 ILE 83 3HG2 ILE 83 12.115 7.819 -14.395 669 1HD1 ILE 83 3HD1 ILE 83 10.946 6.487 -12.998 670 2HD1 ILE 83 2HD1 ILE 83 11.893 5.458 -11.927 671 3HD1 ILE 83 1HD1 ILE 83 10.474 6.386 -11.286 672 H THR 84 H THR 84 10.502 12.010 -11.616 673 HA THR 84 HA THR 84 8.700 11.238 -9.368 674 HB THR 84 HB THR 84 9.216 14.093 -10.222 675 HG1 THR 84 HG1 THR 84 11.577 12.657 -9.066 676 1HG2 THR 84 1HG2 THR 84 8.704 12.808 -7.542 677 2HG2 THR 84 3HG2 THR 84 9.107 14.524 -7.757 678 3HG2 THR 84 2HG2 THR 84 7.737 13.809 -8.584 679 H PHE 85 H PHE 85 6.672 12.326 -9.391 680 HA PHE 85 HA PHE 85 5.504 12.943 -12.028 681 1HB PHE 85 2HB PHE 85 4.410 10.554 -10.422 682 2HB PHE 85 1HB PHE 85 3.888 11.051 -12.009 683 HD1 PHE 85 HD2 PHE 85 6.499 9.333 -10.073 684 HD2 PHE 85 HD1 PHE 85 5.291 10.511 -14.006 685 HE1 PHE 85 HE2 PHE 85 8.133 7.768 -11.043 686 HE2 PHE 85 HE1 PHE 85 6.935 8.951 -14.965 687 HZ PHE 85 HZ PHE 85 8.363 7.572 -13.479 688 HA PRO 86 HA PRO 86 3.249 15.577 -9.211 689 1HB PRO 86 2HB PRO 86 0.955 16.171 -10.656 690 2HB PRO 86 1HB PRO 86 2.555 16.786 -11.043 691 1HG PRO 86 2HG PRO 86 1.174 14.424 -12.301 692 2HG PRO 86 1HG PRO 86 2.024 15.739 -13.128 693 1HD PRO 86 1HD PRO 86 3.256 13.343 -12.695 694 2HD PRO 86 2HD PRO 86 4.166 14.857 -12.571 695 H THR 87 H THR 87 1.914 12.538 -10.171 696 HA THR 87 HA THR 87 0.611 12.240 -7.648 697 HB THR 87 HB THR 87 -1.232 13.354 -8.555 698 HG1 THR 87 HG1 THR 87 -1.977 10.480 -8.589 699 1HG2 THR 87 3HG2 THR 87 -0.839 11.945 -11.200 700 2HG2 THR 87 2HG2 THR 87 -2.272 12.918 -10.779 701 3HG2 THR 87 1HG2 THR 87 -0.681 13.621 -10.755 702 H LEU 88 H LEU 88 -0.390 9.839 -7.559 703 HA LEU 88 HA LEU 88 1.376 8.116 -8.859 704 1HB LEU 88 2HB LEU 88 -1.403 7.524 -7.690 705 2HB LEU 88 1HB LEU 88 -0.643 6.387 -8.691 706 HG LEU 88 HG LEU 88 -0.433 5.827 -6.520 707 1HD1 LEU 88 3HD1 LEU 88 1.462 5.344 -8.035 708 2HD1 LEU 88 2HD1 LEU 88 2.357 6.680 -7.334 709 3HD1 LEU 88 1HD1 LEU 88 1.816 5.300 -6.317 710 1HD2 LEU 88 2HD2 LEU 88 1.055 8.291 -5.935 711 2HD2 LEU 88 3HD2 LEU 88 -0.511 7.697 -5.259 712 3HD2 LEU 88 1HD2 LEU 88 0.998 6.795 -4.933 713 H GLN 89 H GLN 89 -1.719 9.642 -10.000 714 HA GLN 89 HA GLN 89 -2.187 7.495 -11.911 715 1HB GLN 89 2HB GLN 89 -4.065 8.507 -12.736 716 2HB GLN 89 1HB GLN 89 -3.954 8.867 -11.024 717 1HG GLN 89 2HG GLN 89 -4.691 10.844 -11.881 718 2HG GLN 89 1HG GLN 89 -2.970 10.923 -11.570 719 1HE2 GLN 89 2HE2 GLN 89 -2.119 12.026 -14.770 720 2HE2 GLN 89 1HE2 GLN 89 -1.704 11.789 -13.106 721 H ALA 90 H ALA 90 -0.351 10.356 -12.060 722 HA ALA 90 HA ALA 90 0.091 10.236 -14.945 723 1HB ALA 90 2HB ALA 90 0.310 12.414 -13.658 724 2HB ALA 90 1HB ALA 90 1.652 11.749 -12.735 725 3HB ALA 90 3HB ALA 90 1.839 12.065 -14.456 726 H LEU 91 H LEU 91 1.239 8.536 -12.362 727 HA LEU 91 HA LEU 91 3.746 7.618 -13.557 728 1HB LEU 91 2HB LEU 91 4.134 8.216 -11.399 729 2HB LEU 91 1HB LEU 91 2.547 8.023 -10.847 730 HG LEU 91 HG LEU 91 4.401 5.658 -11.320 731 1HD1 LEU 91 2HD1 LEU 91 4.008 7.366 -8.816 732 2HD1 LEU 91 1HD1 LEU 91 4.765 5.778 -8.807 733 3HD1 LEU 91 3HD1 LEU 91 5.515 7.102 -9.685 734 1HD2 LEU 91 1HD2 LEU 91 1.735 6.106 -9.885 735 2HD2 LEU 91 3HD2 LEU 91 2.148 4.887 -11.117 736 3HD2 LEU 91 2HD2 LEU 91 2.806 4.717 -9.524 737 H VAL 92 H VAL 92 0.382 6.620 -12.713 738 HA VAL 92 HA VAL 92 0.862 3.903 -13.421 739 HB VAL 92 HB VAL 92 -1.883 5.178 -13.045 740 1HG1 VAL 92 3HG1 VAL 92 -1.718 2.744 -13.533 741 2HG1 VAL 92 2HG1 VAL 92 -0.736 2.583 -12.008 742 3HG1 VAL 92 1HG1 VAL 92 -2.410 3.098 -11.963 743 1HG2 VAL 92 3HG2 VAL 92 0.158 5.056 -10.880 744 2HG2 VAL 92 2HG2 VAL 92 -1.387 5.897 -10.952 745 3HG2 VAL 92 1HG2 VAL 92 -1.291 4.250 -10.470 746 H GLN 93 H GLN 93 0.556 6.722 -15.100 747 HA GLN 93 HA GLN 93 -1.080 5.797 -17.332 748 1HB GLN 93 2HB GLN 93 -1.290 7.961 -18.059 749 2HB GLN 93 1HB GLN 93 -1.137 8.268 -16.361 750 1HG GLN 93 2HG GLN 93 1.313 8.778 -16.723 751 2HG GLN 93 1HG GLN 93 1.067 8.600 -18.449 752 1HE2 GLN 93 2HE2 GLN 93 0.976 12.146 -17.539 753 2HE2 GLN 93 1HE2 GLN 93 2.092 10.835 -17.373 754 H HIS 94 H HIS 94 2.022 7.007 -16.340 755 HA HIS 94 HA HIS 94 3.591 6.830 -18.578 756 1HB HIS 94 2HB HIS 94 4.095 7.919 -16.339 757 2HB HIS 94 1HB HIS 94 4.370 6.353 -15.621 758 HD1 HIS 94 HD1 HIS 94 6.821 5.797 -15.557 759 HD2 HIS 94 HD2 HIS 94 5.853 8.344 -18.751 760 HE1 HIS 94 HE1 HIS 94 8.996 6.395 -16.719 761 H TYR 95 H TYR 95 3.230 4.456 -15.929 762 HA TYR 95 HA TYR 95 4.693 2.483 -17.457 763 1HB TYR 95 2HB TYR 95 3.202 2.121 -14.834 764 2HB TYR 95 1HB TYR 95 4.268 0.932 -15.563 765 HD1 TYR 95 HD1 TYR 95 6.617 2.143 -16.484 766 HD2 TYR 95 HD2 TYR 95 4.219 3.358 -13.158 767 HE1 TYR 95 HE1 TYR 95 8.507 3.302 -15.630 768 HE2 TYR 95 HE2 TYR 95 6.018 4.530 -12.216 769 HH TYR 95 HH TYR 95 9.049 3.898 -12.627 770 H SER 96 H SER 96 1.353 3.405 -17.556 771 HA SER 96 HA SER 96 0.512 0.736 -18.343 772 1HB SER 96 2HB SER 96 -0.500 3.399 -19.600 773 2HB SER 96 1HB SER 96 -1.285 1.918 -19.751 774 HG SER 96 HG SER 96 -1.398 2.698 -16.874 775 H LYS 97 H LYS 97 2.402 3.114 -19.998 776 HA LYS 97 HA LYS 97 2.149 1.723 -22.539 777 1HB LYS 97 2HB LYS 97 4.007 3.968 -21.596 778 2HB LYS 97 1HB LYS 97 4.126 3.293 -23.191 779 1HG LYS 97 2HG LYS 97 2.818 5.295 -23.321 780 2HG LYS 97 1HG LYS 97 1.771 3.951 -23.694 781 1HD LYS 97 2HD LYS 97 0.735 4.045 -21.496 782 2HD LYS 97 1HD LYS 97 1.969 5.157 -20.920 783 1HE LYS 97 1HE LYS 97 1.096 6.931 -22.412 784 2HE LYS 97 2HE LYS 97 -0.114 5.820 -23.067 785 1HZ LYS 97 2HZ LYS 97 0.123 6.524 -20.220 786 2HZ LYS 97 1HZ LYS 97 -0.917 7.303 -21.321 787 3HZ LYS 97 3HZ LYS 97 -1.126 5.659 -20.959 788 H LYS 98 H LYS 98 4.647 1.783 -19.993 789 HA LYS 98 HA LYS 98 5.720 -0.730 -21.000 790 1HB LYS 98 2HB LYS 98 7.702 -0.295 -21.915 791 2HB LYS 98 1HB LYS 98 6.644 0.848 -22.673 792 1HG LYS 98 2HG LYS 98 8.523 1.367 -20.386 793 2HG LYS 98 1HG LYS 98 8.794 1.791 -22.049 794 1HD LYS 98 2HD LYS 98 8.026 3.829 -21.415 795 2HD LYS 98 1HD LYS 98 6.459 3.116 -21.722 796 1HE LYS 98 1HE LYS 98 5.979 2.937 -19.371 797 2HE LYS 98 2HE LYS 98 7.657 2.951 -18.912 798 1HZ LYS 98 3HZ LYS 98 7.745 5.248 -19.710 799 2HZ LYS 98 2HZ LYS 98 6.050 5.194 -19.876 800 3HZ LYS 98 1HZ LYS 98 6.766 4.972 -18.357 801 H GLY 99 H GLY 99 8.010 -1.091 -19.986 802 1HA GLY 99 2HA GLY 99 7.728 -0.640 -17.040 803 2HA GLY 99 1HA GLY 99 8.473 -2.085 -17.848 804 H ASP 100 H ASP 100 8.697 1.261 -18.311 805 HA ASP 100 HA ASP 100 11.442 1.502 -18.870 806 1HB ASP 100 2HB ASP 100 9.615 3.137 -19.519 807 2HB ASP 100 1HB ASP 100 9.632 3.790 -17.897 808 H GLY 101 H GLY 101 10.505 0.661 -16.078 809 1HA GLY 101 2HA GLY 101 12.938 1.229 -14.713 810 2HA GLY 101 1HA GLY 101 11.708 2.423 -14.139 811 H LEU 102 H LEU 102 9.603 0.378 -14.554 812 HA LEU 102 HA LEU 102 9.649 -0.791 -11.921 813 1HB LEU 102 2HB LEU 102 7.762 -0.791 -14.328 814 2HB LEU 102 1HB LEU 102 7.348 -1.736 -12.975 815 HG LEU 102 HG LEU 102 7.456 1.205 -13.257 816 1HD1 LEU 102 1HD1 LEU 102 5.339 -0.069 -13.488 817 2HD1 LEU 102 3HD1 LEU 102 5.578 -0.650 -11.830 818 3HD1 LEU 102 2HD1 LEU 102 5.270 1.059 -12.125 819 1HD2 LEU 102 3HD2 LEU 102 7.623 -0.148 -10.516 820 2HD2 LEU 102 2HD2 LEU 102 8.838 0.953 -11.148 821 3HD2 LEU 102 1HD2 LEU 102 7.237 1.543 -10.760 822 H CYS 103 H CYS 103 8.443 -2.767 -14.481 823 HA CYS 103 HA CYS 103 10.673 -4.527 -14.722 824 1HB CYS 103 2HB CYS 103 9.598 -6.487 -13.374 825 2HB CYS 103 1HB CYS 103 10.286 -5.232 -12.400 826 HG CYS 103 HG CYS 103 7.377 -6.414 -11.976 827 H GLN 104 H GLN 104 7.177 -4.182 -14.559 828 HA GLN 104 HA GLN 104 6.758 -5.261 -17.181 829 1HB GLN 104 2HB GLN 104 5.562 -6.548 -14.644 830 2HB GLN 104 1HB GLN 104 4.865 -6.784 -16.219 831 1HG GLN 104 2HG GLN 104 7.697 -7.650 -15.414 832 2HG GLN 104 1HG GLN 104 6.311 -8.698 -15.518 833 1HE2 GLN 104 2HE2 GLN 104 8.437 -8.920 -18.585 834 2HE2 GLN 104 1HE2 GLN 104 8.742 -8.980 -16.884 835 H LYS 105 H LYS 105 5.887 -3.655 -17.859 836 HA LYS 105 HA LYS 105 4.561 -1.577 -16.789 837 1HB LYS 105 2HB LYS 105 4.127 -0.962 -19.029 838 2HB LYS 105 1HB LYS 105 5.325 -2.208 -19.198 839 1HG LYS 105 2HG LYS 105 3.137 -3.774 -19.500 840 2HG LYS 105 1HG LYS 105 2.390 -2.232 -19.886 841 1HD LYS 105 2HD LYS 105 3.127 -3.382 -21.897 842 2HD LYS 105 1HD LYS 105 4.011 -1.890 -21.727 843 1HE LYS 105 1HE LYS 105 6.014 -3.058 -20.914 844 2HE LYS 105 2HE LYS 105 5.047 -4.556 -20.715 845 1HZ LYS 105 1HZ LYS 105 4.761 -4.598 -23.101 846 2HZ LYS 105 3HZ LYS 105 5.724 -3.216 -23.259 847 3HZ LYS 105 2HZ LYS 105 6.403 -4.658 -22.660 848 H LEU 106 H LEU 106 2.393 -0.992 -16.963 849 HA LEU 106 HA LEU 106 0.828 -2.945 -15.555 850 1HB LEU 106 2HB LEU 106 -0.539 -0.482 -16.758 851 2HB LEU 106 1HB LEU 106 -0.929 -1.328 -15.297 852 HG LEU 106 HG LEU 106 1.201 0.724 -15.801 853 1HD1 LEU 106 2HD1 LEU 106 -1.183 0.761 -14.353 854 2HD1 LEU 106 1HD1 LEU 106 -0.045 0.401 -13.098 855 3HD1 LEU 106 3HD1 LEU 106 0.228 1.831 -14.053 856 1HD2 LEU 106 2HD2 LEU 106 1.320 -1.365 -13.677 857 2HD2 LEU 106 1HD2 LEU 106 2.664 -1.126 -14.749 858 3HD2 LEU 106 3HD2 LEU 106 2.292 0.120 -13.609 859 H THR 107 H THR 107 -1.181 -3.922 -16.152 860 HA THR 107 HA THR 107 -1.708 -3.998 -19.093 861 HB THR 107 HB THR 107 -1.910 -6.316 -19.168 862 HG1 THR 107 HG1 THR 107 -2.090 -6.649 -16.261 863 1HG2 THR 107 3HG2 THR 107 0.723 -5.437 -17.918 864 2HG2 THR 107 2HG2 THR 107 0.471 -7.062 -18.539 865 3HG2 THR 107 1HG2 THR 107 0.289 -5.643 -19.554 866 H LEU 108 H LEU 108 -2.940 -5.485 -16.168 867 HA LEU 108 HA LEU 108 -5.523 -4.046 -16.687 868 1HB LEU 108 2HB LEU 108 -5.448 -6.930 -15.889 869 2HB LEU 108 1HB LEU 108 -6.843 -6.042 -16.317 870 HG LEU 108 HG LEU 108 -4.647 -6.488 -18.364 871 1HD1 LEU 108 1HD1 LEU 108 -5.206 -8.675 -17.523 872 2HD1 LEU 108 3HD1 LEU 108 -6.927 -8.386 -17.808 873 3HD1 LEU 108 2HD1 LEU 108 -5.797 -8.463 -19.165 874 1HD2 LEU 108 3HD2 LEU 108 -6.381 -4.740 -18.829 875 2HD2 LEU 108 2HD2 LEU 108 -6.464 -6.083 -19.967 876 3HD2 LEU 108 1HD2 LEU 108 -7.639 -5.958 -18.654 877 HA PRO 109 HA PRO 109 -4.561 -3.659 -12.256 878 1HB PRO 109 2HB PRO 109 -6.155 -1.490 -11.696 879 2HB PRO 109 1HB PRO 109 -4.625 -1.378 -12.547 880 1HG PRO 109 2HG PRO 109 -7.352 -1.284 -13.730 881 2HG PRO 109 1HG PRO 109 -5.928 -0.381 -14.231 882 1HD PRO 109 1HD PRO 109 -6.812 -2.803 -15.509 883 2HD PRO 109 2HD PRO 109 -5.175 -2.136 -15.646 884 H CYS 110 H CYS 110 -5.239 -5.342 -11.794 885 HA CYS 110 HA CYS 110 -6.369 -7.245 -11.487 886 1HB CYS 110 2HB CYS 110 -7.009 -6.326 -8.735 887 2HB CYS 110 1HB CYS 110 -5.848 -7.471 -9.318 888 HG CYS 110 HG CYS 110 -5.486 -4.027 -9.223 889 H VAL 111 H VAL 111 -8.179 -7.939 -9.558 890 HA VAL 111 HA VAL 111 -10.791 -6.890 -10.048 891 HB VAL 111 HB VAL 111 -10.373 -8.167 -12.178 892 1HG1 VAL 111 1HG1 VAL 111 -9.002 -10.048 -11.193 893 2HG1 VAL 111 3HG1 VAL 111 -10.480 -10.713 -10.516 894 3HG1 VAL 111 2HG1 VAL 111 -10.295 -10.584 -12.258 895 1HG2 VAL 111 2HG2 VAL 111 -12.698 -7.794 -11.308 896 2HG2 VAL 111 1HG2 VAL 111 -12.552 -9.258 -12.272 897 3HG2 VAL 111 3HG2 VAL 111 -12.637 -9.371 -10.524 898 H ASN 112 H ASN 112 -12.284 -7.790 -8.626 899 HA ASN 112 HA ASN 112 -11.036 -9.122 -6.300 900 1HB ASN 112 2HB ASN 112 -13.196 -8.460 -5.125 901 2HB ASN 112 1HB ASN 112 -12.207 -7.153 -5.709 902 1HD2 ASN 112 2HD2 ASN 112 -16.005 -7.749 -7.058 903 2HD2 ASN 112 1HD2 ASN 112 -15.228 -8.815 -5.962 904 H LEU 113 H LEU 113 -13.474 -9.620 -8.741 905 HA LEU 113 HA LEU 113 -14.731 -11.298 -9.415 906 1HB LEU 113 2HB LEU 113 -12.483 -12.419 -9.577 907 2HB LEU 113 1HB LEU 113 -12.719 -13.109 -7.993 908 HG LEU 113 HG LEU 113 -14.813 -14.265 -8.928 909 1HD1 LEU 113 2HD1 LEU 113 -13.655 -13.344 -11.599 910 2HD1 LEU 113 1HD1 LEU 113 -14.939 -14.535 -11.401 911 3HD1 LEU 113 3HD1 LEU 113 -15.214 -12.868 -10.926 912 1HD2 LEU 113 3HD2 LEU 113 -12.635 -15.450 -8.601 913 2HD2 LEU 113 2HD2 LEU 113 -13.530 -16.079 -9.980 914 3HD2 LEU 113 1HD2 LEU 113 -12.158 -15.009 -10.239 915 H ALA 114 HN ALA 114 -16.108 -10.188 -7.841 916 HA ALA 114 HA ALA 114 -17.657 -12.171 -6.446 917 1HB ALA 114 1HB ALA 114 -15.936 -11.718 -4.667 918 2HB ALA 114 3HB ALA 114 -16.273 -9.993 -4.752 919 3HB ALA 114 2HB ALA 114 -17.501 -11.106 -4.153 No H/Q in entry = 919 Start of MODEL 3 1 1H GLY 1 2H GLY 1 -30.351 12.587 -15.751 2 2H GLY 1 1H GLY 1 -29.328 12.980 -14.454 3 3H GLY 1 3H GLY 1 -28.687 12.753 -16.013 4 1HA GLY 1 2HA GLY 1 -28.222 10.876 -14.654 5 2HA GLY 1 1HA GLY 1 -29.991 10.711 -14.346 6 H SER 2 H SER 2 -29.090 8.549 -15.124 7 HA SER 2 HA SER 2 -29.220 6.849 -16.494 8 1HB SER 2 2HB SER 2 -31.478 7.431 -16.997 9 2HB SER 2 1HB SER 2 -31.111 8.782 -17.926 10 HG SER 2 HG SER 2 -30.201 6.482 -19.535 11 H VAL 3 H VAL 3 -29.271 9.269 -19.077 12 HA VAL 3 HA VAL 3 -27.257 8.001 -20.628 13 HB VAL 3 HB VAL 3 -28.210 10.903 -20.758 14 1HG1 VAL 3 1HG1 VAL 3 -26.980 9.143 -22.927 15 2HG1 VAL 3 3HG1 VAL 3 -27.650 10.751 -23.191 16 3HG1 VAL 3 2HG1 VAL 3 -26.228 10.554 -22.187 17 1HG2 VAL 3 1HG2 VAL 3 -29.442 8.451 -22.108 18 2HG2 VAL 3 3HG2 VAL 3 -30.212 9.488 -20.885 19 3HG2 VAL 3 2HG2 VAL 3 -29.860 10.110 -22.472 20 H ALA 4 H ALA 4 -27.192 10.371 -18.093 21 HA ALA 4 HA ALA 4 -24.783 11.687 -18.549 22 1HB ALA 4 1HB ALA 4 -26.476 12.392 -16.870 23 2HB ALA 4 3HB ALA 4 -26.140 10.970 -15.888 24 3HB ALA 4 2HB ALA 4 -24.915 12.223 -16.074 25 HA PRO 5 HA PRO 5 -21.689 8.584 -17.685 26 1HB PRO 5 2HB PRO 5 -19.529 10.158 -16.934 27 2HB PRO 5 1HB PRO 5 -20.156 10.091 -18.574 28 1HG PRO 5 2HG PRO 5 -20.745 12.185 -16.499 29 2HG PRO 5 1HG PRO 5 -20.350 12.442 -18.204 30 1HD PRO 5 1HD PRO 5 -22.939 12.492 -17.309 31 2HD PRO 5 2HD PRO 5 -22.530 11.871 -18.921 32 H VAL 6 H VAL 6 -21.718 7.242 -16.103 33 HA VAL 6 HA VAL 6 -22.063 8.134 -13.325 34 HB VAL 6 HB VAL 6 -23.491 6.375 -14.283 35 1HG1 VAL 6 2HG1 VAL 6 -21.870 5.242 -15.805 36 2HG1 VAL 6 1HG1 VAL 6 -21.019 4.584 -14.409 37 3HG1 VAL 6 3HG1 VAL 6 -22.676 4.101 -14.741 38 1HG2 VAL 6 2HG2 VAL 6 -23.067 6.444 -11.812 39 2HG2 VAL 6 1HG2 VAL 6 -23.420 4.819 -12.385 40 3HG2 VAL 6 3HG2 VAL 6 -21.765 5.272 -12.009 41 H GLU 7 H GLU 7 -20.753 7.629 -11.672 42 HA GLU 7 HA GLU 7 -17.939 7.509 -12.241 43 1HB GLU 7 2HB GLU 7 -19.022 8.878 -10.471 44 2HB GLU 7 1HB GLU 7 -19.525 7.467 -9.599 45 1HG GLU 7 2HG GLU 7 -16.567 8.041 -10.178 46 2HG GLU 7 1HG GLU 7 -17.390 8.790 -8.838 47 H THR 8 H THR 8 -16.902 5.775 -12.703 48 HA THR 8 HA THR 8 -17.964 3.146 -12.079 49 HB THR 8 HB THR 8 -16.957 3.556 -14.248 50 HG1 THR 8 HG1 THR 8 -15.321 1.453 -12.877 51 1HG2 THR 8 1HG2 THR 8 -14.397 4.492 -12.812 52 2HG2 THR 8 3HG2 THR 8 -14.467 4.098 -14.538 53 3HG2 THR 8 2HG2 THR 8 -15.479 5.334 -13.878 54 H LEU 9 H LEU 9 -16.599 1.392 -11.350 55 HA LEU 9 HA LEU 9 -15.384 2.109 -8.791 56 1HB LEU 9 2HB LEU 9 -15.470 -0.224 -8.247 57 2HB LEU 9 1HB LEU 9 -17.022 0.318 -8.788 58 HG LEU 9 HG LEU 9 -15.175 -1.014 -10.787 59 1HD1 LEU 9 2HD1 LEU 9 -15.007 -2.480 -8.855 60 2HD1 LEU 9 1HD1 LEU 9 -16.764 -2.571 -8.736 61 3HD1 LEU 9 3HD1 LEU 9 -15.937 -3.244 -10.140 62 1HD2 LEU 9 2HD2 LEU 9 -17.701 -0.050 -11.212 63 2HD2 LEU 9 1HD2 LEU 9 -17.160 -1.550 -11.960 64 3HD2 LEU 9 3HD2 LEU 9 -18.143 -1.568 -10.503 65 H GLU 10 H GLU 10 -13.993 2.529 -11.564 66 HA GLU 10 HA GLU 10 -11.708 0.738 -11.300 67 1HB GLU 10 2HB GLU 10 -12.456 2.814 -13.328 68 2HB GLU 10 1HB GLU 10 -10.787 2.769 -12.989 69 1HG GLU 10 2HG GLU 10 -12.330 0.240 -13.740 70 2HG GLU 10 1HG GLU 10 -11.402 1.219 -14.850 71 H VAL 11 H VAL 11 -12.764 3.345 -9.532 72 HA VAL 11 HA VAL 11 -10.321 4.719 -9.067 73 HB VAL 11 HB VAL 11 -11.502 5.547 -7.026 74 1HG1 VAL 11 3HG1 VAL 11 -11.900 6.621 -9.235 75 2HG1 VAL 11 2HG1 VAL 11 -13.304 5.583 -9.486 76 3HG1 VAL 11 1HG1 VAL 11 -13.292 6.749 -8.167 77 1HG2 VAL 11 3HG2 VAL 11 -13.758 3.611 -7.810 78 2HG2 VAL 11 2HG2 VAL 11 -12.767 3.505 -6.355 79 3HG2 VAL 11 1HG2 VAL 11 -13.862 4.857 -6.577 80 H GLU 12 H GLU 12 -11.549 1.668 -8.154 81 HA GLU 12 HA GLU 12 -9.824 1.183 -5.849 82 1HB GLU 12 2HB GLU 12 -11.583 -0.685 -7.531 83 2HB GLU 12 1HB GLU 12 -10.996 -1.019 -5.919 84 1HG GLU 12 2HG GLU 12 -12.489 0.760 -5.005 85 2HG GLU 12 1HG GLU 12 -13.011 1.183 -6.620 86 H LYS 13 H LYS 13 -8.965 -1.148 -6.037 87 HA LYS 13 HA LYS 13 -7.461 -2.573 -6.656 88 1HB LYS 13 2HB LYS 13 -8.399 -1.991 -9.427 89 2HB LYS 13 1HB LYS 13 -7.560 -3.451 -8.911 90 1HG LYS 13 2HG LYS 13 -10.225 -2.428 -7.820 91 2HG LYS 13 1HG LYS 13 -10.062 -3.722 -8.962 92 1HD LYS 13 2HD LYS 13 -8.884 -5.095 -7.243 93 2HD LYS 13 1HD LYS 13 -8.987 -3.808 -6.072 94 1HE LYS 13 1HE LYS 13 -11.443 -4.942 -7.400 95 2HE LYS 13 2HE LYS 13 -10.759 -5.651 -5.937 96 1HZ LYS 13 1HZ LYS 13 -11.085 -3.579 -4.821 97 2HZ LYS 13 3HZ LYS 13 -11.788 -2.903 -6.218 98 3HZ LYS 13 2HZ LYS 13 -12.530 -4.212 -5.443 99 H TRP 14 H TRP 14 -6.810 -0.109 -9.364 100 HA TRP 14 HA TRP 14 -4.031 -0.577 -8.715 101 1HB TRP 14 2HB TRP 14 -3.231 0.737 -10.318 102 2HB TRP 14 1HB TRP 14 -4.723 0.216 -11.004 103 HD1 TRP 14 HD1 TRP 14 -5.944 2.044 -12.278 104 HE1 TRP 14 HE1 TRP 14 -5.681 4.554 -12.545 105 HE3 TRP 14 HE3 TRP 14 -2.767 3.008 -8.354 106 HZ2 TRP 14 HZ2 TRP 14 -4.084 6.732 -11.241 107 HZ3 TRP 14 HZ3 TRP 14 -2.048 5.317 -7.921 108 HH2 TRP 14 HH2 TRP 14 -2.814 7.148 -9.375 109 H PHE 15 H PHE 15 -6.457 1.701 -7.766 110 HA PHE 15 HA PHE 15 -4.631 2.676 -5.635 111 1HB PHE 15 2HB PHE 15 -5.547 4.369 -7.390 112 2HB PHE 15 1HB PHE 15 -7.119 4.140 -6.686 113 HD1 PHE 15 HD1 PHE 15 -3.651 5.145 -5.994 114 HD2 PHE 15 HD2 PHE 15 -7.677 5.233 -4.590 115 HE1 PHE 15 HE1 PHE 15 -2.986 6.708 -4.221 116 HE2 PHE 15 HE2 PHE 15 -7.024 6.843 -2.828 117 HZ PHE 15 HZ PHE 15 -4.675 7.592 -2.648 118 H PHE 16 H PHE 16 -5.133 0.547 -4.795 119 HA PHE 16 HA PHE 16 -7.842 0.267 -3.763 120 1HB PHE 16 2HB PHE 16 -6.232 -1.635 -4.719 121 2HB PHE 16 1HB PHE 16 -5.544 -1.704 -3.136 122 HD1 PHE 16 HD2 PHE 16 -9.252 -1.057 -3.254 123 HD2 PHE 16 HD1 PHE 16 -6.161 -4.052 -3.238 124 HE1 PHE 16 HE2 PHE 16 -10.887 -2.739 -2.724 125 HE2 PHE 16 HE1 PHE 16 -7.871 -5.747 -2.732 126 HZ PHE 16 HZ PHE 16 -10.225 -5.108 -2.474 127 H ARG 17 H ARG 17 -7.280 2.361 -2.668 128 HA ARG 17 HA ARG 17 -6.607 3.671 -0.952 129 1HB ARG 17 2HB ARG 17 -8.352 1.475 0.242 130 2HB ARG 17 1HB ARG 17 -7.793 2.773 1.260 131 1HG ARG 17 2HG ARG 17 -8.795 4.446 -0.179 132 2HG ARG 17 1HG ARG 17 -9.370 3.216 -1.298 133 1HD ARG 17 2HD ARG 17 -10.693 2.176 0.618 134 2HD ARG 17 1HD ARG 17 -10.226 3.530 1.642 135 HE ARG 17 HE ARG 17 -12.159 3.473 -0.550 136 1HH1 ARG 17 1HH2 ARG 17 -10.206 5.522 1.546 137 2HH1 ARG 17 2HH2 ARG 17 -11.188 6.927 1.314 138 1HH2 ARG 17 2HH1 ARG 17 -13.447 5.328 -0.825 139 2HH2 ARG 17 1HH1 ARG 17 -13.037 6.809 -0.034 140 H THR 18 H THR 18 -6.601 0.936 1.144 141 HA THR 18 HA THR 18 -3.792 0.616 1.404 142 HB THR 18 HB THR 18 -3.484 2.434 2.799 143 HG1 THR 18 HG1 THR 18 -4.359 0.421 4.789 144 1HG2 THR 18 1HG2 THR 18 -6.465 2.512 3.504 145 2HG2 THR 18 3HG2 THR 18 -5.207 3.593 4.166 146 3HG2 THR 18 2HG2 THR 18 -5.516 3.537 2.465 147 H ILE 19 H ILE 19 -4.188 -1.406 1.238 148 HA ILE 19 HA ILE 19 -5.898 -2.835 3.205 149 HB ILE 19 HB ILE 19 -5.874 -3.049 0.594 150 1HG1 ILE 19 1HG1 ILE 19 -5.713 -5.524 2.201 151 2HG1 ILE 19 2HG1 ILE 19 -7.124 -4.628 1.773 152 1HG2 ILE 19 2HG2 ILE 19 -3.252 -3.170 0.564 153 2HG2 ILE 19 1HG2 ILE 19 -3.628 -4.895 0.696 154 3HG2 ILE 19 3HG2 ILE 19 -4.261 -3.938 -0.650 155 1HD1 ILE 19 1HD1 ILE 19 -5.312 -5.945 -0.353 156 2HD1 ILE 19 3HD1 ILE 19 -6.889 -6.559 0.174 157 3HD1 ILE 19 2HD1 ILE 19 -6.742 -5.013 -0.648 158 H SER 20 H SER 20 -4.282 -5.233 3.457 159 HA SER 20 HA SER 20 -1.913 -4.028 4.800 160 1HB SER 20 1HB SER 20 -2.833 -5.837 6.101 161 2HB SER 20 2HB SER 20 -3.056 -6.789 4.733 162 HG SER 20 HG SER 20 -0.118 -6.626 5.120 163 H ARG 21 H ARG 21 0.297 -4.892 4.187 164 HA ARG 21 HA ARG 21 0.682 -4.803 1.416 165 1HB ARG 21 2HB ARG 21 2.442 -4.751 3.462 166 2HB ARG 21 1HB ARG 21 2.654 -6.419 3.071 167 1HG ARG 21 2HG ARG 21 4.201 -5.659 1.589 168 2HG ARG 21 1HG ARG 21 2.837 -5.404 0.541 169 1HD ARG 21 2HD ARG 21 4.113 -3.312 0.498 170 2HD ARG 21 1HD ARG 21 2.710 -2.974 1.472 171 HE ARG 21 HE ARG 21 4.050 -2.719 3.316 172 1HH1 ARG 21 1HH2 ARG 21 5.897 -4.329 0.775 173 2HH1 ARG 21 2HH2 ARG 21 7.408 -4.188 1.612 174 1HH2 ARG 21 2HH1 ARG 21 6.060 -2.541 4.376 175 2HH2 ARG 21 1HH1 ARG 21 7.498 -3.177 3.653 176 H LYS 22 H LYS 22 0.432 -7.613 3.568 177 HA LYS 22 HA LYS 22 0.704 -9.657 1.637 178 1HB LYS 22 2HB LYS 22 0.098 -11.139 3.249 179 2HB LYS 22 1HB LYS 22 0.900 -9.864 4.128 180 1HG LYS 22 2HG LYS 22 -0.903 -10.054 5.544 181 2HG LYS 22 1HG LYS 22 -1.810 -9.134 4.374 182 1HD LYS 22 2HD LYS 22 -2.524 -11.120 3.228 183 2HD LYS 22 1HD LYS 22 -1.605 -12.147 4.286 184 1HE LYS 22 1HE LYS 22 -2.968 -11.610 6.226 185 2HE LYS 22 2HE LYS 22 -3.695 -10.228 5.422 186 1HZ LYS 22 1HZ LYS 22 -4.103 -13.035 4.657 187 2HZ LYS 22 3HZ LYS 22 -5.174 -12.049 5.540 188 3HZ LYS 22 2HZ LYS 22 -4.800 -11.655 3.932 189 H ASP 23 H ASP 23 -2.102 -7.776 2.630 190 HA ASP 23 HA ASP 23 -3.857 -9.648 1.377 191 1HB ASP 23 2HB ASP 23 -4.268 -6.827 2.522 192 2HB ASP 23 1HB ASP 23 -5.567 -7.583 1.671 193 H ALA 24 H ALA 24 -2.151 -6.882 0.504 194 HA ALA 24 HA ALA 24 -3.738 -6.228 -1.888 195 1HB ALA 24 3HB ALA 24 -1.745 -4.953 -0.378 196 2HB ALA 24 2HB ALA 24 -0.892 -5.364 -1.855 197 3HB ALA 24 1HB ALA 24 -2.384 -4.381 -1.898 198 H GLU 25 H GLU 25 -0.887 -7.976 -1.102 199 HA GLU 25 HA GLU 25 0.021 -8.715 -3.708 200 1HB GLU 25 2HB GLU 25 0.539 -9.794 -0.905 201 2HB GLU 25 1HB GLU 25 1.306 -10.486 -2.310 202 1HG GLU 25 2HG GLU 25 2.357 -8.299 -2.872 203 2HG GLU 25 1HG GLU 25 1.582 -7.520 -1.534 204 H ARG 26 H ARG 26 -2.424 -9.957 -1.442 205 HA ARG 26 HA ARG 26 -2.535 -12.608 -2.500 206 1HB ARG 26 2HB ARG 26 -4.333 -12.939 -1.030 207 2HB ARG 26 1HB ARG 26 -3.597 -11.530 -0.322 208 1HG ARG 26 2HG ARG 26 -5.384 -10.217 -1.827 209 2HG ARG 26 1HG ARG 26 -6.163 -11.751 -1.886 210 1HD ARG 26 2HD ARG 26 -6.192 -11.637 0.738 211 2HD ARG 26 1HD ARG 26 -5.737 -9.929 0.516 212 HE ARG 26 HE ARG 26 -7.923 -10.624 -1.179 213 1HH1 ARG 26 1HH2 ARG 26 -7.081 -9.893 2.179 214 2HH1 ARG 26 2HH2 ARG 26 -8.653 -9.282 2.559 215 1HH2 ARG 26 2HH1 ARG 26 -9.979 -9.807 -0.631 216 2HH2 ARG 26 1HH1 ARG 26 -10.293 -9.242 0.968 217 H GLN 27 H GLN 27 -3.835 -9.569 -3.303 218 HA GLN 27 HA GLN 27 -5.938 -10.431 -5.066 219 1HB GLN 27 2HB GLN 27 -4.539 -7.737 -5.039 220 2HB GLN 27 1HB GLN 27 -5.969 -8.064 -5.960 221 1HG GLN 27 2HG GLN 27 -5.950 -8.642 -2.992 222 2HG GLN 27 1HG GLN 27 -6.193 -7.005 -3.560 223 1HE2 GLN 27 2HE2 GLN 27 -9.111 -9.866 -3.853 224 2HE2 GLN 27 1HE2 GLN 27 -7.499 -10.230 -3.326 225 H LEU 28 H LEU 28 -2.553 -9.575 -5.596 226 HA LEU 28 HA LEU 28 -2.806 -9.638 -8.467 227 1HB LEU 28 2HB LEU 28 -0.308 -9.301 -6.807 228 2HB LEU 28 1HB LEU 28 -0.471 -8.871 -8.504 229 HG LEU 28 HG LEU 28 -2.280 -7.656 -6.419 230 1HD1 LEU 28 1HD1 LEU 28 0.495 -6.840 -7.342 231 2HD1 LEU 28 3HD1 LEU 28 -0.674 -5.719 -6.673 232 3HD1 LEU 28 2HD1 LEU 28 -0.111 -7.070 -5.687 233 1HD2 LEU 28 1HD2 LEU 28 -2.930 -7.561 -8.902 234 2HD2 LEU 28 3HD2 LEU 28 -2.698 -5.987 -8.145 235 3HD2 LEU 28 2HD2 LEU 28 -1.420 -6.699 -9.110 236 H LEU 29 H LEU 29 -1.533 -11.672 -5.857 237 HA LEU 29 HA LEU 29 -0.248 -13.620 -7.418 238 1HB LEU 29 2HB LEU 29 -1.415 -13.561 -4.632 239 2HB LEU 29 1HB LEU 29 -0.606 -14.982 -5.234 240 HG LEU 29 HG LEU 29 0.769 -12.252 -5.340 241 1HD1 LEU 29 2HD1 LEU 29 0.045 -12.761 -2.985 242 2HD1 LEU 29 1HD1 LEU 29 0.964 -14.252 -3.044 243 3HD1 LEU 29 3HD1 LEU 29 1.795 -12.700 -3.185 244 1HD2 LEU 29 2HD2 LEU 29 1.741 -14.258 -6.680 245 2HD2 LEU 29 1HD2 LEU 29 2.817 -13.639 -5.436 246 3HD2 LEU 29 3HD2 LEU 29 1.903 -15.117 -5.183 247 H ALA 30 H ALA 30 -3.581 -12.974 -6.632 248 HA ALA 30 HA ALA 30 -4.696 -15.518 -7.056 249 1HB ALA 30 3HB ALA 30 -5.930 -13.540 -6.062 250 2HB ALA 30 2HB ALA 30 -5.946 -12.763 -7.645 251 3HB ALA 30 1HB ALA 30 -6.840 -14.254 -7.383 252 HA PRO 31 HA PRO 31 -4.306 -16.024 -11.446 253 1HB PRO 31 2HB PRO 31 -6.351 -17.840 -11.944 254 2HB PRO 31 1HB PRO 31 -4.861 -18.228 -11.094 255 1HG PRO 31 2HG PRO 31 -7.502 -17.503 -9.857 256 2HG PRO 31 1HG PRO 31 -6.429 -18.845 -9.405 257 1HD PRO 31 1HD PRO 31 -6.467 -16.526 -8.006 258 2HD PRO 31 2HD PRO 31 -4.944 -17.415 -8.273 259 H MET 32 H MET 32 -6.626 -14.034 -10.158 260 HA MET 32 HA MET 32 -8.595 -13.743 -12.037 261 1HB MET 32 2HB MET 32 -7.159 -12.020 -9.975 262 2HB MET 32 1HB MET 32 -8.513 -11.430 -10.812 263 1HG MET 32 2HG MET 32 -9.777 -13.587 -9.946 264 2HG MET 32 1HG MET 32 -8.451 -13.677 -8.807 265 1HE MET 32 1HE MET 32 -7.702 -10.680 -8.182 266 2HE MET 32 3HE MET 32 -8.778 -10.312 -6.823 267 3HE MET 32 2HE MET 32 -7.970 -11.888 -6.927 268 H ASN 33 H ASN 33 -5.450 -12.280 -11.597 269 HA ASN 33 HA ASN 33 -5.272 -11.398 -14.388 270 1HB ASN 33 2HB ASN 33 -4.744 -9.540 -11.966 271 2HB ASN 33 1HB ASN 33 -4.327 -9.120 -13.616 272 1HD2 ASN 33 2HD2 ASN 33 -7.354 -7.732 -14.366 273 2HD2 ASN 33 1HD2 ASN 33 -5.660 -7.889 -14.679 274 H LYS 34 H LYS 34 -2.828 -10.041 -14.149 275 HA LYS 34 HA LYS 34 -0.998 -11.780 -12.767 276 1HB LYS 34 2HB LYS 34 0.225 -12.561 -14.773 277 2HB LYS 34 1HB LYS 34 -1.369 -13.168 -14.598 278 1HG LYS 34 2HG LYS 34 -1.731 -10.812 -16.169 279 2HG LYS 34 1HG LYS 34 -0.246 -11.524 -16.772 280 1HD LYS 34 2HD LYS 34 -1.286 -13.710 -16.881 281 2HD LYS 34 1HD LYS 34 -2.777 -13.057 -16.238 282 1HE LYS 34 1HE LYS 34 -1.547 -12.257 -18.952 283 2HE LYS 34 2HE LYS 34 -2.916 -13.349 -18.752 284 1HZ LYS 34 2HZ LYS 34 -4.147 -11.564 -17.743 285 2HZ LYS 34 1HZ LYS 34 -2.825 -10.522 -17.963 286 3HZ LYS 34 3HZ LYS 34 -3.627 -11.176 -19.309 287 H ALA 35 H ALA 35 1.331 -11.186 -14.180 288 HA ALA 35 HA ALA 35 2.299 -8.878 -13.311 289 1HB ALA 35 3HB ALA 35 2.980 -10.118 -16.023 290 2HB ALA 35 2HB ALA 35 3.988 -8.943 -15.172 291 3HB ALA 35 1HB ALA 35 3.706 -10.518 -14.468 292 H GLY 36 H GLY 36 1.792 -6.825 -13.395 293 1HA GLY 36 2HA GLY 36 1.602 -4.910 -14.527 294 2HA GLY 36 1HA GLY 36 0.692 -5.618 -15.867 295 H SER 37 H SER 37 -1.053 -6.986 -13.857 296 HA SER 37 HA SER 37 -2.727 -4.955 -12.854 297 1HB SER 37 2HB SER 37 -3.621 -6.597 -11.145 298 2HB SER 37 1HB SER 37 -3.878 -7.122 -12.698 299 HG SER 37 HG SER 37 -1.467 -8.528 -11.852 300 H PHE 38 H PHE 38 -2.519 -3.639 -11.120 301 HA PHE 38 HA PHE 38 -0.346 -4.215 -9.172 302 1HB PHE 38 2HB PHE 38 -0.981 -1.594 -10.773 303 2HB PHE 38 1HB PHE 38 -0.112 -1.503 -9.292 304 HD1 PHE 38 HD1 PHE 38 0.760 -4.102 -11.907 305 HD2 PHE 38 HD2 PHE 38 1.618 -0.325 -10.148 306 HE1 PHE 38 HE1 PHE 38 2.868 -3.982 -13.120 307 HE2 PHE 38 HE2 PHE 38 3.812 -0.326 -11.166 308 HZ PHE 38 HZ PHE 38 4.449 -2.190 -12.700 309 H LEU 39 H LEU 39 -0.471 -2.508 -7.438 310 HA LEU 39 HA LEU 39 -3.048 -1.304 -6.730 311 1HB LEU 39 2HB LEU 39 -1.665 -2.728 -4.429 312 2HB LEU 39 1HB LEU 39 -3.338 -2.401 -4.624 313 HG LEU 39 HG LEU 39 -2.114 -4.444 -6.431 314 1HD1 LEU 39 2HD1 LEU 39 -1.269 -4.721 -3.946 315 2HD1 LEU 39 1HD1 LEU 39 -2.943 -5.217 -3.693 316 3HD1 LEU 39 3HD1 LEU 39 -1.915 -6.080 -4.835 317 1HD2 LEU 39 1HD2 LEU 39 -4.560 -3.960 -6.481 318 2HD2 LEU 39 3HD2 LEU 39 -4.043 -5.634 -6.090 319 3HD2 LEU 39 2HD2 LEU 39 -4.590 -4.550 -4.776 320 H ILE 40 H ILE 40 -2.627 0.544 -5.314 321 HA ILE 40 HA ILE 40 0.310 0.890 -4.693 322 HB ILE 40 HB ILE 40 -1.114 2.070 -6.808 323 1HG1 ILE 40 1HG1 ILE 40 0.704 4.056 -5.441 324 2HG1 ILE 40 2HG1 ILE 40 1.391 2.502 -5.838 325 1HG2 ILE 40 2HG2 ILE 40 -2.640 3.154 -5.088 326 2HG2 ILE 40 1HG2 ILE 40 -1.226 4.150 -4.625 327 3HG2 ILE 40 3HG2 ILE 40 -1.851 4.205 -6.255 328 1HD1 ILE 40 2HD1 ILE 40 0.622 2.716 -8.246 329 2HD1 ILE 40 1HD1 ILE 40 0.027 4.290 -7.927 330 3HD1 ILE 40 3HD1 ILE 40 1.751 3.972 -7.775 331 H ARG 41 H ARG 41 -0.763 -0.400 -2.979 332 HA ARG 41 HA ARG 41 -2.815 0.759 -1.366 333 1HB ARG 41 2HB ARG 41 -2.790 -1.204 -0.230 334 2HB ARG 41 1HB ARG 41 -2.090 -1.704 -1.723 335 1HG ARG 41 2HG ARG 41 -0.700 -2.771 -0.201 336 2HG ARG 41 1HG ARG 41 0.257 -1.335 -0.474 337 1HD ARG 41 2HD ARG 41 -0.728 -0.298 1.619 338 2HD ARG 41 1HD ARG 41 -1.776 -1.686 1.781 339 HE ARG 41 HE ARG 41 0.831 -2.670 1.758 340 1HH1 ARG 41 1HH2 ARG 41 -1.171 -0.460 3.646 341 2HH1 ARG 41 2HH2 ARG 41 -0.377 -0.788 5.148 342 1HH2 ARG 41 2HH1 ARG 41 1.869 -3.077 3.709 343 2HH2 ARG 41 1HH1 ARG 41 1.390 -2.300 5.184 344 H GLU 42 H GLU 42 -2.676 2.255 0.175 345 HA GLU 42 HA GLU 42 -0.054 3.309 0.756 346 1HB GLU 42 2HB GLU 42 -0.954 5.275 1.393 347 2HB GLU 42 1HB GLU 42 -2.196 4.670 0.323 348 1HG GLU 42 2HG GLU 42 -3.696 4.275 2.003 349 2HG GLU 42 1HG GLU 42 -2.533 4.351 3.335 350 H SER 43 H SER 43 0.565 4.072 2.776 351 HA SER 43 HA SER 43 0.313 1.957 4.827 352 1HB SER 43 2HB SER 43 2.643 2.619 3.971 353 2HB SER 43 1HB SER 43 2.327 4.208 4.110 354 HG SER 43 HG SER 43 2.383 3.318 6.888 355 H GLU 44 H GLU 44 -1.599 2.528 5.775 356 HA GLU 44 HA GLU 44 -2.810 4.936 5.811 357 1HB GLU 44 2HB GLU 44 -4.138 4.024 7.829 358 2HB GLU 44 1HB GLU 44 -4.142 3.226 6.306 359 1HG GLU 44 2HG GLU 44 -3.925 1.524 8.070 360 2HG GLU 44 1HG GLU 44 -2.430 1.535 7.171 361 H SER 45 H SER 45 -0.171 4.097 7.856 362 HA SER 45 HA SER 45 -0.503 5.714 10.134 363 1HB SER 45 2HB SER 45 1.941 5.253 10.382 364 2HB SER 45 1HB SER 45 1.058 3.871 9.971 365 HG SER 45 HG SER 45 2.206 4.972 7.436 366 H ASN 46 H ASN 46 0.647 6.453 6.873 367 HA ASN 46 HA ASN 46 1.617 9.159 7.658 368 1HB ASN 46 2HB ASN 46 3.020 8.805 5.455 369 2HB ASN 46 1HB ASN 46 3.601 7.933 6.808 370 1HD2 ASN 46 2HD2 ASN 46 1.630 5.961 3.834 371 2HD2 ASN 46 1HD2 ASN 46 1.315 7.629 4.080 372 H LYS 47 H LYS 47 1.663 10.649 5.898 373 HA LYS 47 HA LYS 47 -0.711 10.495 4.195 374 1HB LYS 47 2HB LYS 47 -0.953 12.877 4.208 375 2HB LYS 47 1HB LYS 47 -0.876 12.275 5.843 376 1HG LYS 47 2HG LYS 47 0.530 14.106 5.895 377 2HG LYS 47 1HG LYS 47 1.599 12.707 5.785 378 1HD LYS 47 2HD LYS 47 2.274 13.207 3.610 379 2HD LYS 47 1HD LYS 47 0.769 14.009 3.211 380 1HE LYS 47 1HE LYS 47 1.487 15.975 4.640 381 2HE LYS 47 2HE LYS 47 3.029 15.175 4.924 382 1HZ LYS 47 2HZ LYS 47 1.948 15.986 2.309 383 2HZ LYS 47 1HZ LYS 47 3.161 16.780 3.187 384 3HZ LYS 47 3HZ LYS 47 3.442 15.225 2.570 385 H GLY 48 H GLY 48 2.366 9.908 4.064 386 1HA GLY 48 2HA GLY 48 2.462 10.434 1.186 387 2HA GLY 48 1HA GLY 48 3.733 11.206 2.211 388 H ALA 49 H ALA 49 2.185 8.073 2.427 389 HA ALA 49 HA ALA 49 4.530 6.820 1.156 390 1HB ALA 49 2HB ALA 49 4.568 6.948 3.991 391 2HB ALA 49 1HB ALA 49 4.122 5.260 3.620 392 3HB ALA 49 3HB ALA 49 5.585 5.985 2.954 393 H PHE 50 H PHE 50 4.064 5.429 -0.198 394 HA PHE 50 HA PHE 50 1.633 3.840 -0.020 395 1HB PHE 50 2HB PHE 50 2.375 5.324 -2.625 396 2HB PHE 50 1HB PHE 50 1.161 4.115 -2.427 397 HD1 PHE 50 HD2 PHE 50 2.145 7.361 -0.716 398 HD2 PHE 50 HD1 PHE 50 -1.000 4.866 -2.215 399 HE1 PHE 50 HE2 PHE 50 0.493 9.015 -0.014 400 HE2 PHE 50 HE1 PHE 50 -2.639 6.569 -1.547 401 HZ PHE 50 HZ PHE 50 -1.903 8.628 -0.412 402 H SER 51 H SER 51 1.728 1.873 -1.334 403 HA SER 51 HA SER 51 4.529 0.939 -1.744 404 1HB SER 51 2HB SER 51 2.578 -1.240 -0.804 405 2HB SER 51 1HB SER 51 4.162 -0.964 -0.442 406 HG SER 51 HG SER 51 2.401 0.919 1.123 407 H LEU 52 H LEU 52 4.699 0.252 -3.813 408 HA LEU 52 HA LEU 52 2.215 -0.404 -5.259 409 1HB LEU 52 2HB LEU 52 3.791 1.421 -6.000 410 2HB LEU 52 1HB LEU 52 4.990 0.212 -6.352 411 HG LEU 52 HG LEU 52 3.656 -0.710 -8.149 412 1HD1 LEU 52 3HD1 LEU 52 1.394 0.711 -6.824 413 2HD1 LEU 52 2HD1 LEU 52 1.363 0.782 -8.540 414 3HD1 LEU 52 1HD1 LEU 52 1.422 -0.787 -7.740 415 1HD2 LEU 52 1HD2 LEU 52 3.603 2.349 -8.244 416 2HD2 LEU 52 3HD2 LEU 52 4.927 1.309 -8.772 417 3HD2 LEU 52 2HD2 LEU 52 3.392 1.309 -9.643 418 H SER 53 H SER 53 1.619 -2.332 -5.207 419 HA SER 53 HA SER 53 3.444 -4.627 -5.225 420 1HB SER 53 2HB SER 53 0.371 -4.699 -5.258 421 2HB SER 53 1HB SER 53 1.397 -5.904 -4.666 422 HG SER 53 HG SER 53 1.579 -3.508 -2.864 423 H VAL 54 H VAL 54 3.756 -5.852 -6.930 424 HA VAL 54 HA VAL 54 1.932 -5.649 -9.339 425 HB VAL 54 HB VAL 54 4.996 -5.509 -9.740 426 1HG1 VAL 54 1HG1 VAL 54 2.783 -5.623 -11.683 427 2HG1 VAL 54 3HG1 VAL 54 4.435 -5.006 -12.048 428 3HG1 VAL 54 2HG1 VAL 54 4.186 -6.636 -11.525 429 1HG2 VAL 54 1HG2 VAL 54 3.018 -3.283 -9.701 430 2HG2 VAL 54 3HG2 VAL 54 4.378 -3.477 -8.630 431 3HG2 VAL 54 2HG2 VAL 54 4.705 -3.199 -10.313 432 H LYS 55 H LYS 55 1.853 -7.741 -10.637 433 HA LYS 55 HA LYS 55 2.893 -9.933 -8.993 434 1HB LYS 55 2HB LYS 55 0.771 -10.118 -10.036 435 2HB LYS 55 1HB LYS 55 1.433 -9.448 -11.508 436 1HG LYS 55 2HG LYS 55 0.759 -11.825 -11.692 437 2HG LYS 55 1HG LYS 55 2.334 -11.433 -12.245 438 1HD LYS 55 2HD LYS 55 2.497 -13.494 -11.112 439 2HD LYS 55 1HD LYS 55 3.279 -12.347 -10.074 440 1HE LYS 55 1HE LYS 55 1.867 -13.725 -8.689 441 2HE LYS 55 2HE LYS 55 1.047 -12.171 -8.767 442 1HZ LYS 55 1HZ LYS 55 0.455 -14.454 -10.556 443 2HZ LYS 55 3HZ LYS 55 -0.362 -14.153 -9.120 444 3HZ LYS 55 2HZ LYS 55 -0.444 -13.019 -10.361 445 H ASP 56 H ASP 56 5.397 -10.115 -9.071 446 HA ASP 56 HA ASP 56 6.412 -9.942 -11.811 447 1HB ASP 56 2HB ASP 56 7.965 -9.493 -9.791 448 2HB ASP 56 1HB ASP 56 8.132 -11.199 -9.676 449 H ILE 57 H ILE 57 6.605 -11.358 -13.268 450 HA ILE 57 HA ILE 57 6.238 -14.238 -12.606 451 HB ILE 57 HB ILE 57 5.335 -12.752 -15.089 452 1HG1 ILE 57 1HG1 ILE 57 3.910 -13.930 -12.684 453 2HG1 ILE 57 2HG1 ILE 57 3.881 -12.276 -13.229 454 1HG2 ILE 57 1HG2 ILE 57 6.126 -15.108 -15.601 455 2HG2 ILE 57 3HG2 ILE 57 5.030 -15.720 -14.366 456 3HG2 ILE 57 2HG2 ILE 57 4.406 -14.951 -15.826 457 1HD1 ILE 57 1HD1 ILE 57 2.560 -14.593 -14.671 458 2HD1 ILE 57 3HD1 ILE 57 1.792 -13.381 -13.662 459 3HD1 ILE 57 2HD1 ILE 57 2.540 -12.887 -15.193 460 H THR 58 H THR 58 8.223 -14.577 -12.278 461 HA THR 58 HA THR 58 10.371 -13.875 -14.134 462 HB THR 58 HB THR 58 11.170 -13.752 -12.022 463 HG1 THR 58 HG1 THR 58 11.962 -16.574 -12.531 464 1HG2 THR 58 2HG2 THR 58 9.263 -15.917 -11.006 465 2HG2 THR 58 1HG2 THR 58 10.531 -15.187 -10.009 466 3HG2 THR 58 3HG2 THR 58 9.314 -14.199 -10.718 467 H THR 59 H THR 59 9.642 -16.844 -12.625 468 HA THR 59 HA THR 59 8.600 -18.516 -14.182 469 HB THR 59 HB THR 59 9.840 -18.362 -16.149 470 HG1 THR 59 HG1 THR 59 10.388 -21.064 -14.978 471 1HG2 THR 59 1HG2 THR 59 12.552 -18.810 -14.712 472 2HG2 THR 59 3HG2 THR 59 12.275 -18.864 -16.432 473 3HG2 THR 59 2HG2 THR 59 11.943 -17.415 -15.609 474 H GLN 60 H GLN 60 10.745 -17.766 -11.776 475 HA GLN 60 HA GLN 60 10.781 -20.585 -10.807 476 1HB GLN 60 2HB GLN 60 12.568 -18.313 -9.911 477 2HB GLN 60 1HB GLN 60 12.668 -19.942 -9.399 478 1HG GLN 60 2HG GLN 60 13.767 -20.689 -11.249 479 2HG GLN 60 1HG GLN 60 12.806 -19.797 -12.380 480 1HE2 GLN 60 2HE2 GLN 60 15.660 -17.974 -13.111 481 2HE2 GLN 60 1HE2 GLN 60 14.470 -19.123 -13.613 482 H GLY 61 H GLY 61 8.776 -18.068 -10.618 483 1HA GLY 61 2HA GLY 61 7.436 -18.917 -8.389 484 2HA GLY 61 1HA GLY 61 8.635 -17.727 -7.750 485 H GLU 62 H GLU 62 5.481 -18.072 -8.694 486 HA GLU 62 HA GLU 62 5.085 -15.565 -10.018 487 1HB GLU 62 2HB GLU 62 3.733 -17.962 -9.817 488 2HB GLU 62 1HB GLU 62 2.947 -17.146 -8.472 489 1HG GLU 62 2HG GLU 62 2.328 -15.301 -9.996 490 2HG GLU 62 1HG GLU 62 3.041 -16.152 -11.346 491 H VAL 63 H VAL 63 5.925 -13.902 -8.676 492 HA VAL 63 HA VAL 63 5.030 -13.816 -5.820 493 HB VAL 63 HB VAL 63 7.023 -12.395 -5.495 494 1HG1 VAL 63 2HG1 VAL 63 7.303 -14.827 -5.273 495 2HG1 VAL 63 1HG1 VAL 63 7.828 -14.926 -6.951 496 3HG1 VAL 63 3HG1 VAL 63 8.777 -14.013 -5.790 497 1HG2 VAL 63 2HG2 VAL 63 7.034 -11.334 -7.871 498 2HG2 VAL 63 1HG2 VAL 63 8.598 -11.848 -7.288 499 3HG2 VAL 63 3HG2 VAL 63 7.712 -12.845 -8.438 500 H VAL 64 H VAL 64 5.735 -11.144 -5.491 501 HA VAL 64 HA VAL 64 4.058 -9.653 -7.310 502 HB VAL 64 HB VAL 64 3.900 -9.247 -4.268 503 1HG1 VAL 64 2HG1 VAL 64 2.431 -7.861 -6.555 504 2HG1 VAL 64 1HG1 VAL 64 1.789 -7.951 -4.966 505 3HG1 VAL 64 3HG1 VAL 64 3.258 -7.055 -5.176 506 1HG2 VAL 64 2HG2 VAL 64 1.880 -10.248 -6.250 507 2HG2 VAL 64 1HG2 VAL 64 2.696 -11.262 -5.009 508 3HG2 VAL 64 3HG2 VAL 64 1.600 -9.936 -4.558 509 H LYS 65 H LYS 65 4.638 -7.347 -6.333 510 HA LYS 65 HA LYS 65 7.558 -6.763 -5.964 511 1HB LYS 65 2HB LYS 65 5.568 -5.415 -7.814 512 2HB LYS 65 1HB LYS 65 6.769 -4.390 -7.208 513 1HG LYS 65 2HG LYS 65 7.504 -5.069 -9.268 514 2HG LYS 65 1HG LYS 65 8.532 -5.885 -8.074 515 1HD LYS 65 2HD LYS 65 7.960 -7.838 -8.725 516 2HD LYS 65 1HD LYS 65 6.270 -7.495 -8.888 517 1HE LYS 65 1HE LYS 65 7.078 -7.965 -11.184 518 2HE LYS 65 2HE LYS 65 6.683 -6.267 -11.067 519 1HZ LYS 65 2HZ LYS 65 9.007 -5.792 -10.710 520 2HZ LYS 65 1HZ LYS 65 9.369 -7.447 -10.916 521 3HZ LYS 65 3HZ LYS 65 8.707 -6.559 -12.194 522 H HIS 66 H HIS 66 7.885 -4.535 -5.435 523 HA HIS 66 HA HIS 66 5.885 -3.140 -3.811 524 1HB HIS 66 2HB HIS 66 8.566 -4.253 -2.706 525 2HB HIS 66 1HB HIS 66 7.632 -3.038 -1.872 526 HD1 HIS 66 HD1 HIS 66 8.075 -6.535 -1.845 527 HD2 HIS 66 HD2 HIS 66 4.733 -4.012 -1.598 528 HE1 HIS 66 HE1 HIS 66 6.188 -7.880 -0.774 529 H TYR 67 H TYR 67 6.216 -0.931 -4.262 530 HA TYR 67 HA TYR 67 9.000 0.088 -4.467 531 1HB TYR 67 2HB TYR 67 6.874 1.043 -6.496 532 2HB TYR 67 1HB TYR 67 8.472 1.647 -6.275 533 HD1 TYR 67 HD2 TYR 67 6.587 -1.367 -7.316 534 HD2 TYR 67 HD1 TYR 67 10.365 0.627 -7.214 535 HE1 TYR 67 HE2 TYR 67 7.420 -2.949 -8.912 536 HE2 TYR 67 HE1 TYR 67 11.278 -0.886 -8.789 537 HH TYR 67 HH TYR 67 10.422 -3.758 -9.536 538 H LYS 68 H LYS 68 9.338 1.698 -3.167 539 HA LYS 68 HA LYS 68 7.069 2.729 -1.715 540 1HB LYS 68 2HB LYS 68 9.036 3.972 -0.409 541 2HB LYS 68 1HB LYS 68 8.514 2.351 -0.099 542 1HG LYS 68 2HG LYS 68 10.944 2.438 -0.181 543 2HG LYS 68 1HG LYS 68 10.300 1.423 -1.441 544 1HD LYS 68 2HD LYS 68 12.047 2.683 -2.460 545 2HD LYS 68 1HD LYS 68 10.552 3.347 -3.061 546 1HE LYS 68 1HE LYS 68 10.747 5.247 -1.387 547 2HE LYS 68 2HE LYS 68 12.265 4.553 -0.816 548 1HZ LYS 68 2HZ LYS 68 13.165 4.824 -3.004 549 2HZ LYS 68 1HZ LYS 68 11.697 5.486 -3.544 550 3HZ LYS 68 3HZ LYS 68 12.629 6.298 -2.366 551 H ILE 69 H ILE 69 6.080 4.165 -2.333 552 HA ILE 69 HA ILE 69 6.885 6.533 -3.785 553 HB ILE 69 HB ILE 69 4.257 6.523 -3.999 554 1HG1 ILE 69 1HG1 ILE 69 5.155 3.684 -4.318 555 2HG1 ILE 69 2HG1 ILE 69 4.159 4.322 -3.049 556 1HG2 ILE 69 2HG2 ILE 69 6.387 5.977 -5.950 557 2HG2 ILE 69 1HG2 ILE 69 4.652 6.066 -6.385 558 3HG2 ILE 69 3HG2 ILE 69 5.496 7.408 -5.627 559 1HD1 ILE 69 3HD1 ILE 69 2.577 5.102 -4.834 560 2HD1 ILE 69 2HD1 ILE 69 3.577 4.203 -5.998 561 3HD1 ILE 69 1HD1 ILE 69 2.803 3.332 -4.637 562 H ARG 70 H ARG 70 7.109 8.288 -2.843 563 HA ARG 70 HA ARG 70 5.560 8.812 -0.367 564 1HB ARG 70 2HB ARG 70 8.131 10.020 -1.526 565 2HB ARG 70 1HB ARG 70 7.267 10.805 -0.259 566 1HG ARG 70 2HG ARG 70 8.796 9.555 0.993 567 2HG ARG 70 1HG ARG 70 7.401 8.493 1.026 568 1HD ARG 70 2HD ARG 70 8.421 7.415 -1.126 569 2HD ARG 70 1HD ARG 70 9.860 8.307 -0.730 570 HE ARG 70 HE ARG 70 10.269 6.802 0.997 571 1HH1 ARG 70 1HH2 ARG 70 6.897 6.604 -0.014 572 2HH1 ARG 70 2HH2 ARG 70 6.513 5.285 1.040 573 1HH2 ARG 70 2HH1 ARG 70 9.736 5.056 2.383 574 2HH2 ARG 70 1HH1 ARG 70 8.133 4.409 2.399 575 H SER 71 H SER 71 4.907 10.938 -0.177 576 HA SER 71 HA SER 71 3.758 11.903 -2.784 577 1HB SER 71 2HB SER 71 1.630 12.215 -2.022 578 2HB SER 71 1HB SER 71 2.077 10.986 -0.968 579 HG SER 71 HG SER 71 2.570 13.648 0.352 580 H LEU 72 H LEU 72 4.648 13.774 -3.428 581 HA LEU 72 HA LEU 72 5.785 15.550 -1.397 582 1HB LEU 72 2HB LEU 72 6.395 15.648 -4.371 583 2HB LEU 72 1HB LEU 72 7.391 16.129 -3.037 584 HG LEU 72 HG LEU 72 8.357 14.294 -3.802 585 1HD1 LEU 72 3HD1 LEU 72 7.614 14.394 -1.243 586 2HD1 LEU 72 2HD1 LEU 72 6.950 12.808 -1.624 587 3HD1 LEU 72 1HD1 LEU 72 8.656 13.135 -1.860 588 1HD2 LEU 72 1HD2 LEU 72 6.004 13.564 -4.995 589 2HD2 LEU 72 3HD2 LEU 72 7.392 12.523 -4.959 590 3HD2 LEU 72 2HD2 LEU 72 6.123 12.327 -3.758 591 H ASP 73 H ASP 73 5.296 17.490 -1.288 592 HA ASP 73 HA ASP 73 2.781 18.458 -2.405 593 1HB ASP 73 2HB ASP 73 3.398 20.648 -1.228 594 2HB ASP 73 1HB ASP 73 3.341 19.250 -0.171 595 H ASN 74 H ASN 74 6.136 18.803 -3.078 596 HA ASN 74 HA ASN 74 5.660 20.741 -5.243 597 1HB ASN 74 2HB ASN 74 8.175 21.022 -5.102 598 2HB ASN 74 1HB ASN 74 7.383 21.292 -3.562 599 1HD2 ASN 74 2HD2 ASN 74 9.913 18.103 -4.168 600 2HD2 ASN 74 1HD2 ASN 74 9.288 19.040 -5.481 601 H GLY 75 H GLY 75 5.530 17.531 -5.024 602 1HA GLY 75 2HA GLY 75 6.224 17.212 -7.855 603 2HA GLY 75 1HA GLY 75 7.425 16.452 -6.764 604 H GLY 76 H GLY 76 3.972 16.419 -6.034 605 1HA GLY 76 2HA GLY 76 2.372 14.873 -6.028 606 2HA GLY 76 1HA GLY 76 3.100 14.271 -7.529 607 H TYR 77 H TYR 77 4.663 12.649 -7.555 608 HA TYR 77 HA TYR 77 4.996 11.138 -5.102 609 1HB TYR 77 2HB TYR 77 3.485 9.732 -7.421 610 2HB TYR 77 1HB TYR 77 4.213 8.938 -6.075 611 HD1 TYR 77 HD2 TYR 77 1.681 11.290 -6.977 612 HD2 TYR 77 HD1 TYR 77 3.241 8.887 -3.900 613 HE1 TYR 77 HE2 TYR 77 -0.424 11.617 -5.822 614 HE2 TYR 77 HE1 TYR 77 1.278 9.161 -2.598 615 HH TYR 77 HH TYR 77 -1.589 9.630 -3.641 616 H TYR 78 H TYR 78 6.728 10.053 -5.009 617 HA TYR 78 HA TYR 78 8.139 9.467 -7.591 618 1HB TYR 78 2HB TYR 78 10.167 10.332 -6.949 619 2HB TYR 78 1HB TYR 78 9.090 11.531 -6.325 620 HD1 TYR 78 HD2 TYR 78 11.189 8.623 -5.453 621 HD2 TYR 78 HD1 TYR 78 9.124 12.047 -3.912 622 HE1 TYR 78 HE2 TYR 78 12.215 8.212 -3.387 623 HE2 TYR 78 HE1 TYR 78 10.150 11.710 -1.783 624 HH TYR 78 HH TYR 78 12.751 10.165 -1.019 625 H ILE 79 H ILE 79 8.658 7.476 -7.872 626 HA ILE 79 HA ILE 79 8.537 5.581 -5.583 627 HB ILE 79 HB ILE 79 9.114 3.878 -7.531 628 1HG1 ILE 79 1HG1 ILE 79 7.583 6.086 -8.928 629 2HG1 ILE 79 2HG1 ILE 79 9.222 5.624 -9.318 630 1HG2 ILE 79 3HG2 ILE 79 7.119 3.814 -5.973 631 2HG2 ILE 79 2HG2 ILE 79 6.225 4.502 -7.350 632 3HG2 ILE 79 1HG2 ILE 79 7.061 2.998 -7.522 633 1HD1 ILE 79 2HD1 ILE 79 6.753 3.812 -9.553 634 2HD1 ILE 79 1HD1 ILE 79 7.522 4.693 -10.851 635 3HD1 ILE 79 3HD1 ILE 79 8.407 3.380 -10.001 636 H SER 80 H SER 80 10.614 6.417 -8.263 637 HA SER 80 HA SER 80 13.042 5.943 -6.608 638 1HB SER 80 2HB SER 80 13.118 6.455 -9.636 639 2HB SER 80 1HB SER 80 14.287 5.713 -8.697 640 HG SER 80 HG SER 80 11.977 3.835 -8.883 641 HA PRO 81 HA PRO 81 12.812 10.389 -6.465 642 1HB PRO 81 2HB PRO 81 15.774 10.512 -6.160 643 2HB PRO 81 1HB PRO 81 14.501 11.050 -5.041 644 1HG PRO 81 2HG PRO 81 15.993 8.813 -4.532 645 2HG PRO 81 1HG PRO 81 14.295 8.941 -4.074 646 1HD PRO 81 1HD PRO 81 15.438 7.471 -6.424 647 2HD PRO 81 2HD PRO 81 14.124 7.026 -5.299 648 H ARG 82 H ARG 82 14.831 8.775 -8.742 649 HA ARG 82 HA ARG 82 15.521 11.088 -10.321 650 1HB ARG 82 2HB ARG 82 16.650 9.588 -11.749 651 2HB ARG 82 1HB ARG 82 16.871 9.030 -10.128 652 1HG ARG 82 2HG ARG 82 16.304 6.984 -10.960 653 2HG ARG 82 1HG ARG 82 14.659 7.537 -10.806 654 1HD ARG 82 2HD ARG 82 14.899 8.486 -13.203 655 2HD ARG 82 1HD ARG 82 16.403 7.580 -13.327 656 HE ARG 82 HE ARG 82 14.620 5.713 -12.429 657 1HH1 ARG 82 1HH2 ARG 82 14.693 7.921 -15.189 658 2HH1 ARG 82 2HH2 ARG 82 13.664 6.925 -16.174 659 1HH2 ARG 82 2HH1 ARG 82 13.277 4.437 -13.770 660 2HH2 ARG 82 1HH1 ARG 82 12.861 4.955 -15.373 661 H ILE 83 H ILE 83 12.706 9.171 -10.028 662 HA ILE 83 HA ILE 83 11.433 10.564 -12.280 663 HB ILE 83 HB ILE 83 10.025 8.511 -12.561 664 1HG1 ILE 83 1HG1 ILE 83 12.566 7.109 -11.676 665 2HG1 ILE 83 2HG1 ILE 83 11.269 7.393 -10.523 666 1HG2 ILE 83 3HG2 ILE 83 12.858 8.721 -13.565 667 2HG2 ILE 83 2HG2 ILE 83 11.597 7.741 -14.333 668 3HG2 ILE 83 1HG2 ILE 83 11.442 9.485 -14.277 669 1HD1 ILE 83 2HD1 ILE 83 10.764 6.162 -13.218 670 2HD1 ILE 83 1HD1 ILE 83 11.124 5.229 -11.724 671 3HD1 ILE 83 3HD1 ILE 83 9.670 6.290 -11.839 672 H THR 84 H THR 84 10.307 11.801 -11.528 673 HA THR 84 HA THR 84 8.429 11.359 -9.258 674 HB THR 84 HB THR 84 9.242 14.087 -10.292 675 HG1 THR 84 HG1 THR 84 11.432 12.512 -8.992 676 1HG2 THR 84 2HG2 THR 84 8.565 13.083 -7.523 677 2HG2 THR 84 1HG2 THR 84 9.189 14.705 -7.848 678 3HG2 THR 84 3HG2 THR 84 7.741 14.149 -8.649 679 H PHE 85 H PHE 85 6.543 12.553 -9.432 680 HA PHE 85 HA PHE 85 5.485 13.135 -12.175 681 1HB PHE 85 2HB PHE 85 4.364 10.903 -10.362 682 2HB PHE 85 1HB PHE 85 3.604 11.414 -11.839 683 HD1 PHE 85 HD1 PHE 85 4.649 10.922 -14.039 684 HD2 PHE 85 HD2 PHE 85 6.396 9.542 -10.385 685 HE1 PHE 85 HE1 PHE 85 6.075 9.354 -15.299 686 HE2 PHE 85 HE2 PHE 85 7.807 7.976 -11.643 687 HZ PHE 85 HZ PHE 85 7.674 7.888 -14.101 688 HA PRO 86 HA PRO 86 3.001 16.023 -9.828 689 1HB PRO 86 2HB PRO 86 0.736 16.312 -11.417 690 2HB PRO 86 1HB PRO 86 2.326 16.904 -11.884 691 1HG PRO 86 2HG PRO 86 1.031 14.323 -12.746 692 2HG PRO 86 1HG PRO 86 1.872 15.500 -13.770 693 1HD PRO 86 1HD PRO 86 3.119 13.243 -12.906 694 2HD PRO 86 2HD PRO 86 4.006 14.763 -13.058 695 H THR 87 H THR 87 1.812 12.886 -10.516 696 HA THR 87 HA THR 87 0.650 12.596 -7.975 697 HB THR 87 HB THR 87 -1.323 13.580 -8.747 698 HG1 THR 87 HG1 THR 87 -1.906 10.660 -8.578 699 1HG2 THR 87 1HG2 THR 87 -1.139 12.032 -11.333 700 2HG2 THR 87 3HG2 THR 87 -2.561 12.968 -10.775 701 3HG2 THR 87 2HG2 THR 87 -1.011 13.739 -10.998 702 H LEU 88 H LEU 88 -0.355 10.198 -7.942 703 HA LEU 88 HA LEU 88 1.524 8.551 -9.286 704 1HB LEU 88 2HB LEU 88 -1.173 7.566 -8.299 705 2HB LEU 88 1HB LEU 88 0.178 6.586 -8.693 706 HG LEU 88 HG LEU 88 0.184 8.606 -6.441 707 1HD1 LEU 88 2HD1 LEU 88 -1.661 6.966 -6.193 708 2HD1 LEU 88 1HD1 LEU 88 -0.474 5.700 -6.504 709 3HD1 LEU 88 3HD1 LEU 88 -0.375 6.634 -5.003 710 1HD2 LEU 88 3HD2 LEU 88 1.831 6.073 -6.952 711 2HD2 LEU 88 2HD2 LEU 88 2.459 7.717 -7.121 712 3HD2 LEU 88 1HD2 LEU 88 1.975 7.096 -5.539 713 H GLN 89 H GLN 89 -1.630 9.957 -10.450 714 HA GLN 89 HA GLN 89 -2.064 7.615 -12.115 715 1HB GLN 89 2HB GLN 89 -3.553 8.874 -13.657 716 2HB GLN 89 1HB GLN 89 -4.015 8.584 -12.031 717 1HG GLN 89 2HG GLN 89 -4.740 10.735 -12.514 718 2HG GLN 89 1HG GLN 89 -3.424 10.795 -11.384 719 1HE2 GLN 89 2HE2 GLN 89 -1.874 11.742 -15.043 720 2HE2 GLN 89 1HE2 GLN 89 -2.257 10.148 -14.524 721 H ALA 90 H ALA 90 -0.115 10.440 -12.683 722 HA ALA 90 HA ALA 90 0.343 9.860 -15.469 723 1HB ALA 90 1HB ALA 90 0.822 12.114 -14.429 724 2HB ALA 90 3HB ALA 90 2.120 11.407 -13.482 725 3HB ALA 90 2HB ALA 90 2.266 11.511 -15.237 726 H LEU 91 H LEU 91 1.640 8.642 -12.528 727 HA LEU 91 HA LEU 91 4.067 7.475 -13.568 728 1HB LEU 91 2HB LEU 91 4.085 8.194 -11.340 729 2HB LEU 91 1HB LEU 91 2.501 7.741 -10.998 730 HG LEU 91 HG LEU 91 4.710 5.676 -11.263 731 1HD1 LEU 91 2HD1 LEU 91 5.210 7.410 -9.454 732 2HD1 LEU 91 1HD1 LEU 91 3.619 7.064 -8.760 733 3HD1 LEU 91 3HD1 LEU 91 4.857 5.816 -8.778 734 1HD2 LEU 91 2HD2 LEU 91 1.985 5.699 -9.845 735 2HD2 LEU 91 1HD2 LEU 91 2.351 4.768 -11.304 736 3HD2 LEU 91 3HD2 LEU 91 3.180 4.351 -9.828 737 H VAL 92 H VAL 92 0.708 6.519 -12.827 738 HA VAL 92 HA VAL 92 1.097 3.792 -13.622 739 HB VAL 92 HB VAL 92 -1.381 5.376 -12.750 740 1HG1 VAL 92 3HG1 VAL 92 -1.876 2.971 -13.510 741 2HG1 VAL 92 2HG1 VAL 92 -0.730 2.479 -12.195 742 3HG1 VAL 92 1HG1 VAL 92 -2.164 3.328 -11.791 743 1HG2 VAL 92 2HG2 VAL 92 0.375 5.535 -11.011 744 2HG2 VAL 92 1HG2 VAL 92 -0.940 4.579 -10.468 745 3HG2 VAL 92 3HG2 VAL 92 0.529 3.796 -10.989 746 H GLN 93 H GLN 93 0.795 6.573 -15.362 747 HA GLN 93 HA GLN 93 -1.127 5.542 -17.321 748 1HB GLN 93 2HB GLN 93 -1.561 7.545 -18.212 749 2HB GLN 93 1HB GLN 93 -1.223 7.986 -16.589 750 1HG GLN 93 2HG GLN 93 -0.175 9.625 -17.857 751 2HG GLN 93 1HG GLN 93 1.157 8.612 -17.368 752 1HE2 GLN 93 2HE2 GLN 93 1.928 9.286 -20.797 753 2HE2 GLN 93 1HE2 GLN 93 2.022 9.978 -19.219 754 H HIS 94 H HIS 94 2.014 6.914 -16.969 755 HA HIS 94 HA HIS 94 3.273 6.357 -19.392 756 1HB HIS 94 2HB HIS 94 4.137 7.960 -17.708 757 2HB HIS 94 1HB HIS 94 4.203 6.722 -16.482 758 HD1 HIS 94 HD1 HIS 94 6.675 7.041 -16.025 759 HD2 HIS 94 HD2 HIS 94 5.871 6.055 -20.025 760 HE1 HIS 94 HE1 HIS 94 8.882 6.460 -17.076 761 H TYR 95 H TYR 95 2.816 4.538 -16.415 762 HA TYR 95 HA TYR 95 4.441 2.350 -17.323 763 1HB TYR 95 2HB TYR 95 2.723 2.657 -14.853 764 2HB TYR 95 1HB TYR 95 3.606 1.201 -15.237 765 HD1 TYR 95 HD1 TYR 95 5.747 3.707 -16.570 766 HD2 TYR 95 HD2 TYR 95 4.319 2.194 -12.810 767 HE1 TYR 95 HE1 TYR 95 7.652 4.481 -15.629 768 HE2 TYR 95 HE2 TYR 95 6.318 2.968 -11.752 769 HH TYR 95 HH TYR 95 9.166 3.312 -13.285 770 H SER 96 H SER 96 1.077 3.117 -17.677 771 HA SER 96 HA SER 96 0.371 0.373 -18.336 772 1HB SER 96 2HB SER 96 -0.874 2.884 -19.657 773 2HB SER 96 1HB SER 96 -1.599 1.363 -19.537 774 HG SER 96 HG SER 96 -1.359 2.475 -16.774 775 H LYS 97 H LYS 97 2.252 2.647 -19.989 776 HA LYS 97 HA LYS 97 2.082 1.003 -22.457 777 1HB LYS 97 2HB LYS 97 3.182 3.795 -21.678 778 2HB LYS 97 1HB LYS 97 3.644 3.126 -23.213 779 1HG LYS 97 2HG LYS 97 0.725 3.528 -22.401 780 2HG LYS 97 1HG LYS 97 1.674 4.710 -23.282 781 1HD LYS 97 2HD LYS 97 2.209 3.005 -25.014 782 2HD LYS 97 1HD LYS 97 1.191 1.854 -24.198 783 1HE LYS 97 1HE LYS 97 -0.816 3.312 -24.561 784 2HE LYS 97 2HE LYS 97 0.198 4.520 -25.349 785 1HZ LYS 97 2HZ LYS 97 -0.237 1.765 -26.290 786 2HZ LYS 97 1HZ LYS 97 -0.946 3.175 -26.912 787 3HZ LYS 97 3HZ LYS 97 0.730 2.939 -27.040 788 H LYS 98 H LYS 98 4.599 2.453 -20.552 789 HA LYS 98 HA LYS 98 6.525 0.319 -21.413 790 1HB LYS 98 2HB LYS 98 6.753 2.774 -21.877 791 2HB LYS 98 1HB LYS 98 7.112 2.991 -20.182 792 1HG LYS 98 2HG LYS 98 9.024 1.450 -20.353 793 2HG LYS 98 1HG LYS 98 8.629 1.032 -22.011 794 1HD LYS 98 2HD LYS 98 8.943 3.871 -21.199 795 2HD LYS 98 1HD LYS 98 10.390 2.893 -21.450 796 1HE LYS 98 1HE LYS 98 9.637 2.427 -23.813 797 2HE LYS 98 2HE LYS 98 8.211 3.431 -23.551 798 1HZ LYS 98 2HZ LYS 98 9.659 5.292 -23.129 799 2HZ LYS 98 1HZ LYS 98 11.012 4.318 -23.433 800 3HZ LYS 98 3HZ LYS 98 9.897 4.629 -24.678 801 H GLY 99 H GLY 99 8.099 -0.315 -19.793 802 1HA GLY 99 2HA GLY 99 6.883 -0.864 -17.151 803 2HA GLY 99 1HA GLY 99 8.467 -1.483 -17.790 804 H ASP 100 H ASP 100 9.628 0.550 -18.545 805 HA ASP 100 HA ASP 100 11.284 1.918 -17.989 806 1HB ASP 100 2HB ASP 100 9.275 3.382 -18.655 807 2HB ASP 100 1HB ASP 100 9.134 3.815 -16.967 808 H GLY 101 H GLY 101 11.693 0.305 -16.428 809 1HA GLY 101 2HA GLY 101 13.356 0.468 -14.599 810 2HA GLY 101 1HA GLY 101 12.315 1.681 -13.799 811 H LEU 102 H LEU 102 9.865 -0.070 -14.336 812 HA LEU 102 HA LEU 102 10.202 -1.499 -11.840 813 1HB LEU 102 2HB LEU 102 7.820 -1.809 -13.708 814 2HB LEU 102 1HB LEU 102 7.918 -2.260 -12.022 815 HG LEU 102 HG LEU 102 7.838 0.476 -13.245 816 1HD1 LEU 102 3HD1 LEU 102 6.055 -1.035 -11.342 817 2HD1 LEU 102 2HD1 LEU 102 5.875 0.682 -11.620 818 3HD1 LEU 102 1HD1 LEU 102 5.686 -0.430 -12.972 819 1HD2 LEU 102 2HD2 LEU 102 8.355 -0.159 -10.304 820 2HD2 LEU 102 1HD2 LEU 102 9.531 0.628 -11.337 821 3HD2 LEU 102 3HD2 LEU 102 8.016 1.427 -10.882 822 H CYS 103 H CYS 103 10.557 -2.289 -15.145 823 HA CYS 103 HA CYS 103 11.258 -4.078 -16.243 824 1HB CYS 103 2HB CYS 103 12.378 -5.864 -15.271 825 2HB CYS 103 1HB CYS 103 12.535 -4.644 -14.043 826 HG CYS 103 HG CYS 103 10.473 -7.421 -13.984 827 H GLN 104 H GLN 104 8.385 -3.753 -14.745 828 HA GLN 104 HA GLN 104 6.994 -5.584 -16.436 829 1HB GLN 104 2HB GLN 104 6.662 -5.692 -13.362 830 2HB GLN 104 1HB GLN 104 5.599 -6.491 -14.479 831 1HG GLN 104 2HG GLN 104 8.553 -7.206 -14.036 832 2HG GLN 104 1HG GLN 104 7.174 -8.034 -13.361 833 1HE2 GLN 104 2HE2 GLN 104 8.103 -10.219 -15.991 834 2HE2 GLN 104 1HE2 GLN 104 8.553 -9.730 -14.397 835 H LYS 105 H LYS 105 6.005 -4.152 -17.342 836 HA LYS 105 HA LYS 105 5.090 -1.661 -16.294 837 1HB LYS 105 2HB LYS 105 4.561 -1.298 -18.595 838 2HB LYS 105 1HB LYS 105 5.821 -2.517 -18.661 839 1HG LYS 105 2HG LYS 105 3.571 -4.133 -18.643 840 2HG LYS 105 1HG LYS 105 2.927 -2.662 -19.399 841 1HD LYS 105 2HD LYS 105 5.494 -3.985 -20.382 842 2HD LYS 105 1HD LYS 105 3.898 -4.455 -20.961 843 1HE LYS 105 1HE LYS 105 3.382 -2.115 -21.489 844 2HE LYS 105 2HE LYS 105 5.037 -1.646 -20.994 845 1HZ LYS 105 1HZ LYS 105 5.876 -3.094 -22.742 846 2HZ LYS 105 3HZ LYS 105 4.284 -3.404 -23.245 847 3HZ LYS 105 2HZ LYS 105 4.905 -1.824 -23.321 848 H LEU 106 H LEU 106 2.655 -1.241 -17.167 849 HA LEU 106 HA LEU 106 1.044 -3.036 -15.421 850 1HB LEU 106 2HB LEU 106 -0.273 -0.574 -16.599 851 2HB LEU 106 1HB LEU 106 -0.640 -1.448 -15.170 852 HG LEU 106 HG LEU 106 1.368 0.717 -15.602 853 1HD1 LEU 106 3HD1 LEU 106 -1.082 0.584 -14.229 854 2HD1 LEU 106 1HD1 LEU 106 0.066 0.369 -12.952 855 3HD1 LEU 106 2HD1 LEU 106 0.227 1.780 -13.963 856 1HD2 LEU 106 3HD2 LEU 106 1.505 -1.383 -13.512 857 2HD2 LEU 106 2HD2 LEU 106 2.865 -1.052 -14.547 858 3HD2 LEU 106 1HD2 LEU 106 2.402 0.134 -13.360 859 H THR 107 H THR 107 -1.109 -3.580 -16.026 860 HA THR 107 HA THR 107 -1.633 -3.552 -18.930 861 HB THR 107 HB THR 107 -2.005 -5.804 -19.221 862 HG1 THR 107 HG1 THR 107 -2.266 -6.441 -16.373 863 1HG2 THR 107 2HG2 THR 107 0.267 -5.128 -19.464 864 2HG2 THR 107 1HG2 THR 107 0.681 -5.420 -17.829 865 3HG2 THR 107 3HG2 THR 107 0.254 -6.787 -18.848 866 H LEU 108 H LEU 108 -2.998 -5.235 -16.152 867 HA LEU 108 HA LEU 108 -5.329 -3.391 -16.343 868 1HB LEU 108 2HB LEU 108 -5.692 -6.416 -16.255 869 2HB LEU 108 1HB LEU 108 -6.943 -5.250 -16.450 870 HG LEU 108 HG LEU 108 -4.777 -5.588 -18.549 871 1HD1 LEU 108 2HD1 LEU 108 -7.338 -7.164 -18.388 872 2HD1 LEU 108 1HD1 LEU 108 -6.219 -7.114 -19.756 873 3HD1 LEU 108 3HD1 LEU 108 -5.682 -7.764 -18.210 874 1HD2 LEU 108 1HD2 LEU 108 -6.223 -3.519 -18.626 875 2HD2 LEU 108 3HD2 LEU 108 -6.431 -4.554 -20.034 876 3HD2 LEU 108 2HD2 LEU 108 -7.642 -4.549 -18.749 877 HA PRO 109 HA PRO 109 -4.479 -3.981 -11.947 878 1HB PRO 109 2HB PRO 109 -6.783 -2.599 -11.007 879 2HB PRO 109 1HB PRO 109 -5.183 -1.945 -11.284 880 1HG PRO 109 2HG PRO 109 -7.577 -1.578 -12.925 881 2HG PRO 109 1HG PRO 109 -6.091 -0.647 -12.940 882 1HD PRO 109 1HD PRO 109 -6.855 -2.604 -14.909 883 2HD PRO 109 2HD PRO 109 -5.270 -1.821 -14.764 884 H CYS 110 H CYS 110 -5.160 -5.211 -10.318 885 HA CYS 110 HA CYS 110 -6.359 -7.629 -10.907 886 1HB CYS 110 2HB CYS 110 -6.405 -8.044 -8.456 887 2HB CYS 110 1HB CYS 110 -4.956 -7.242 -8.942 888 HG CYS 110 HG CYS 110 -5.632 -4.704 -7.971 889 H VAL 111 H VAL 111 -8.420 -8.409 -11.125 890 HA VAL 111 HA VAL 111 -10.555 -6.457 -11.059 891 HB VAL 111 HB VAL 111 -12.052 -8.265 -11.746 892 1HG1 VAL 111 3HG1 VAL 111 -10.804 -6.952 -13.426 893 2HG1 VAL 111 2HG1 VAL 111 -9.476 -8.105 -13.373 894 3HG1 VAL 111 1HG1 VAL 111 -11.052 -8.605 -13.976 895 1HG2 VAL 111 1HG2 VAL 111 -10.830 -10.190 -10.547 896 2HG2 VAL 111 3HG2 VAL 111 -11.278 -10.518 -12.219 897 3HG2 VAL 111 2HG2 VAL 111 -9.625 -10.089 -11.834 898 H ASN 112 H ASN 112 -12.457 -6.552 -9.957 899 HA ASN 112 HA ASN 112 -12.097 -6.937 -7.144 900 1HB ASN 112 2HB ASN 112 -13.443 -5.047 -8.243 901 2HB ASN 112 1HB ASN 112 -14.674 -6.215 -8.669 902 1HD2 ASN 112 2HD2 ASN 112 -16.349 -5.729 -5.702 903 2HD2 ASN 112 1HD2 ASN 112 -16.358 -5.945 -7.416 904 H LEU 113 H LEU 113 -12.315 -8.559 -6.037 905 HA LEU 113 HA LEU 113 -14.536 -10.369 -6.217 906 1HB LEU 113 2HB LEU 113 -12.575 -11.093 -7.906 907 2HB LEU 113 1HB LEU 113 -11.786 -11.709 -6.488 908 HG LEU 113 HG LEU 113 -14.560 -12.486 -7.489 909 1HD1 LEU 113 2HD1 LEU 113 -12.775 -13.267 -9.002 910 2HD1 LEU 113 1HD1 LEU 113 -11.938 -14.031 -7.653 911 3HD1 LEU 113 3HD1 LEU 113 -13.514 -14.630 -8.167 912 1HD2 LEU 113 3HD2 LEU 113 -12.915 -13.703 -5.207 913 2HD2 LEU 113 2HD2 LEU 113 -14.447 -12.843 -5.037 914 3HD2 LEU 113 1HD2 LEU 113 -14.400 -14.397 -5.849 915 H ALA 114 HN ALA 114 -14.182 -8.714 -4.407 916 HA ALA 114 HA ALA 114 -14.200 -8.388 -2.199 917 1HB ALA 114 2HB ALA 114 -15.080 -10.721 -1.997 918 2HB ALA 114 1HB ALA 114 -13.439 -11.340 -1.834 919 3HB ALA 114 3HB ALA 114 -14.098 -10.275 -0.606 No H/Q in entry = 919 Start of MODEL 4 1 1H GLY 1 3H GLY 1 -27.777 15.329 -13.914 2 2H GLY 1 2H GLY 1 -26.199 15.293 -14.549 3 3H GLY 1 1H GLY 1 -27.532 14.950 -15.548 4 1HA GLY 1 2HA GLY 1 -26.420 12.956 -14.997 5 2HA GLY 1 1HA GLY 1 -26.600 13.367 -13.250 6 H SER 2 H SER 2 -27.457 11.033 -14.684 7 HA SER 2 HA SER 2 -30.092 10.738 -13.588 8 1HB SER 2 2HB SER 2 -31.371 10.415 -15.706 9 2HB SER 2 1HB SER 2 -30.807 11.996 -15.587 10 HG SER 2 HG SER 2 -28.877 10.488 -17.295 11 H VAL 3 H VAL 3 -27.806 9.442 -13.110 12 HA VAL 3 HA VAL 3 -28.227 6.784 -14.383 13 HB VAL 3 HB VAL 3 -25.839 6.423 -14.521 14 1HG1 VAL 3 3HG1 VAL 3 -27.000 7.684 -16.410 15 2HG1 VAL 3 2HG1 VAL 3 -26.283 9.160 -15.746 16 3HG1 VAL 3 1HG1 VAL 3 -25.251 7.874 -16.332 17 1HG2 VAL 3 2HG2 VAL 3 -25.440 9.231 -13.354 18 2HG2 VAL 3 1HG2 VAL 3 -25.024 7.719 -12.550 19 3HG2 VAL 3 3HG2 VAL 3 -24.164 8.208 -14.000 20 H ALA 4 H ALA 4 -26.976 5.134 -13.243 21 HA ALA 4 HA ALA 4 -26.934 5.411 -10.311 22 1HB ALA 4 3HB ALA 4 -28.785 3.480 -11.782 23 2HB ALA 4 2HB ALA 4 -28.269 3.208 -10.112 24 3HB ALA 4 1HB ALA 4 -29.173 4.651 -10.551 25 HA PRO 5 HA PRO 5 -24.251 1.646 -11.358 26 1HB PRO 5 2HB PRO 5 -24.100 0.587 -13.918 27 2HB PRO 5 1HB PRO 5 -25.327 0.116 -12.753 28 1HG PRO 5 2HG PRO 5 -25.624 2.126 -14.975 29 2HG PRO 5 1HG PRO 5 -26.748 0.832 -14.538 30 1HD PRO 5 1HD PRO 5 -27.178 3.382 -13.710 31 2HD PRO 5 2HD PRO 5 -27.562 1.995 -12.667 32 H VAL 6 H VAL 6 -22.431 2.619 -11.101 33 HA VAL 6 HA VAL 6 -21.136 4.101 -13.356 34 HB VAL 6 HB VAL 6 -21.128 4.620 -10.347 35 1HG1 VAL 6 3HG1 VAL 6 -19.314 5.868 -12.450 36 2HG1 VAL 6 2HG1 VAL 6 -19.683 6.649 -10.922 37 3HG1 VAL 6 1HG1 VAL 6 -18.868 5.113 -10.901 38 1HG2 VAL 6 2HG2 VAL 6 -23.105 5.525 -11.563 39 2HG2 VAL 6 1HG2 VAL 6 -22.078 6.828 -10.995 40 3HG2 VAL 6 3HG2 VAL 6 -22.041 6.356 -12.690 41 H GLU 7 H GLU 7 -20.313 2.603 -10.257 42 HA GLU 7 HA GLU 7 -18.661 1.251 -9.615 43 1HB GLU 7 2HB GLU 7 -20.122 -0.215 -11.194 44 2HB GLU 7 1HB GLU 7 -18.890 -0.025 -12.398 45 1HG GLU 7 2HG GLU 7 -18.527 -2.147 -11.247 46 2HG GLU 7 1HG GLU 7 -17.204 -1.078 -10.820 47 H THR 8 H THR 8 -17.362 3.200 -9.720 48 HA THR 8 HA THR 8 -14.841 2.594 -10.869 49 HB THR 8 HB THR 8 -15.599 5.289 -11.949 50 HG1 THR 8 HG1 THR 8 -17.382 3.154 -13.010 51 1HG2 THR 8 1HG2 THR 8 -14.216 2.883 -13.243 52 2HG2 THR 8 3HG2 THR 8 -14.486 4.456 -14.010 53 3HG2 THR 8 2HG2 THR 8 -13.539 4.321 -12.548 54 H LEU 9 H LEU 9 -13.803 5.282 -10.898 55 HA LEU 9 HA LEU 9 -12.999 6.876 -9.584 56 1HB LEU 9 2HB LEU 9 -15.248 6.401 -7.556 57 2HB LEU 9 1HB LEU 9 -14.175 7.750 -7.656 58 HG LEU 9 HG LEU 9 -16.040 8.600 -8.588 59 1HD1 LEU 9 2HD1 LEU 9 -14.194 8.945 -10.219 60 2HD1 LEU 9 1HD1 LEU 9 -14.762 7.557 -11.147 61 3HD1 LEU 9 3HD1 LEU 9 -15.783 8.975 -10.975 62 1HD2 LEU 9 3HD2 LEU 9 -17.343 6.415 -8.641 63 2HD2 LEU 9 2HD2 LEU 9 -17.727 7.556 -9.918 64 3HD2 LEU 9 1HD2 LEU 9 -16.747 6.162 -10.280 65 H GLU 10 H GLU 10 -14.169 4.957 -6.825 66 HA GLU 10 HA GLU 10 -11.341 4.128 -6.293 67 1HB GLU 10 2HB GLU 10 -13.224 5.335 -4.223 68 2HB GLU 10 1HB GLU 10 -11.657 4.626 -3.897 69 1HG GLU 10 2HG GLU 10 -10.626 6.318 -5.526 70 2HG GLU 10 1HG GLU 10 -12.181 7.113 -5.606 71 H VAL 11 H VAL 11 -14.383 2.993 -6.974 72 HA VAL 11 HA VAL 11 -14.595 0.928 -4.995 73 HB VAL 11 HB VAL 11 -16.132 -0.174 -6.522 74 1HG1 VAL 11 2HG1 VAL 11 -17.045 1.804 -5.387 75 2HG1 VAL 11 1HG1 VAL 11 -16.570 2.834 -6.734 76 3HG1 VAL 11 3HG1 VAL 11 -17.780 1.582 -6.969 77 1HG2 VAL 11 3HG2 VAL 11 -15.034 1.655 -8.713 78 2HG2 VAL 11 2HG2 VAL 11 -14.972 -0.102 -8.667 79 3HG2 VAL 11 1HG2 VAL 11 -16.508 0.696 -8.863 80 H GLU 12 H GLU 12 -12.810 1.498 -7.777 81 HA GLU 12 HA GLU 12 -11.770 -0.505 -9.032 82 1HB GLU 12 2HB GLU 12 -10.209 1.870 -7.882 83 2HB GLU 12 1HB GLU 12 -9.756 1.003 -9.320 84 1HG GLU 12 2HG GLU 12 -12.279 2.735 -8.980 85 2HG GLU 12 1HG GLU 12 -10.837 3.162 -9.857 86 H LYS 13 H LYS 13 -9.738 -1.404 -9.107 87 HA LYS 13 HA LYS 13 -8.812 -2.501 -6.491 88 1HB LYS 13 2HB LYS 13 -8.755 -3.659 -9.306 89 2HB LYS 13 1HB LYS 13 -7.888 -4.388 -7.975 90 1HG LYS 13 2HG LYS 13 -10.890 -3.861 -7.922 91 2HG LYS 13 1HG LYS 13 -10.222 -5.377 -8.392 92 1HD LYS 13 2HD LYS 13 -9.656 -6.023 -6.268 93 2HD LYS 13 1HD LYS 13 -9.173 -4.452 -5.745 94 1HE LYS 13 1HE LYS 13 -12.078 -5.303 -6.136 95 2HE LYS 13 2HE LYS 13 -11.262 -5.206 -4.575 96 1HZ LYS 13 3HZ LYS 13 -11.731 -2.957 -6.422 97 2HZ LYS 13 2HZ LYS 13 -12.624 -3.303 -5.035 98 3HZ LYS 13 1HZ LYS 13 -10.993 -2.855 -4.911 99 H TRP 14 H TRP 14 -7.719 -0.671 -9.415 100 HA TRP 14 HA TRP 14 -5.024 -1.247 -8.695 101 1HB TRP 14 2HB TRP 14 -4.064 0.080 -10.196 102 2HB TRP 14 1HB TRP 14 -5.502 -0.407 -10.982 103 HD1 TRP 14 HD1 TRP 14 -6.874 1.572 -12.111 104 HE1 TRP 14 HE1 TRP 14 -6.519 4.063 -12.309 105 HE3 TRP 14 HE3 TRP 14 -3.307 2.169 -8.509 106 HZ2 TRP 14 HZ2 TRP 14 -4.736 6.101 -11.103 107 HZ3 TRP 14 HZ3 TRP 14 -2.409 4.438 -8.078 108 HH2 TRP 14 HH2 TRP 14 -3.200 6.362 -9.375 109 H PHE 15 H PHE 15 -7.404 1.043 -7.718 110 HA PHE 15 HA PHE 15 -5.554 2.349 -5.809 111 1HB PHE 15 2HB PHE 15 -7.033 3.502 -7.729 112 2HB PHE 15 1HB PHE 15 -8.345 3.348 -6.601 113 HD1 PHE 15 HD1 PHE 15 -4.787 4.451 -6.762 114 HD2 PHE 15 HD2 PHE 15 -8.654 5.163 -5.083 115 HE1 PHE 15 HE1 PHE 15 -4.004 6.618 -5.891 116 HE2 PHE 15 HE2 PHE 15 -7.857 7.300 -4.160 117 HZ PHE 15 HZ PHE 15 -5.538 8.047 -4.580 118 H PHE 16 H PHE 16 -5.766 1.945 -3.762 119 HA PHE 16 HA PHE 16 -8.310 1.185 -2.496 120 1HB PHE 16 2HB PHE 16 -5.804 -0.532 -2.714 121 2HB PHE 16 1HB PHE 16 -6.429 -0.442 -1.108 122 HD1 PHE 16 HD2 PHE 16 -9.449 -0.497 -2.834 123 HD2 PHE 16 HD1 PHE 16 -5.991 -2.929 -2.047 124 HE1 PHE 16 HE2 PHE 16 -10.787 -2.499 -3.084 125 HE2 PHE 16 HE1 PHE 16 -7.353 -4.943 -2.378 126 HZ PHE 16 HZ PHE 16 -9.752 -4.745 -2.868 127 H ARG 17 H ARG 17 -8.071 1.206 -0.096 128 HA ARG 17 HA ARG 17 -6.780 3.695 0.571 129 1HB ARG 17 2HB ARG 17 -8.221 1.643 2.337 130 2HB ARG 17 1HB ARG 17 -7.355 2.994 3.005 131 1HG ARG 17 2HG ARG 17 -8.695 4.489 1.427 132 2HG ARG 17 1HG ARG 17 -9.787 3.120 1.242 133 1HD ARG 17 2HD ARG 17 -9.310 4.943 3.610 134 2HD ARG 17 1HD ARG 17 -10.814 4.288 3.017 135 HE ARG 17 HE ARG 17 -10.418 2.264 4.190 136 1HH1 ARG 17 1HH2 ARG 17 -7.872 4.672 4.725 137 2HH1 ARG 17 2HH2 ARG 17 -7.227 3.863 6.110 138 1HH2 ARG 17 2HH1 ARG 17 -9.520 1.234 6.001 139 2HH2 ARG 17 1HH1 ARG 17 -8.157 1.912 6.826 140 H THR 18 H THR 18 -6.161 0.583 2.335 141 HA THR 18 HA THR 18 -3.476 0.810 2.264 142 HB THR 18 HB THR 18 -3.136 2.609 3.664 143 HG1 THR 18 HG1 THR 18 -3.182 0.425 5.663 144 1HG2 THR 18 1HG2 THR 18 -5.418 3.312 3.900 145 2HG2 THR 18 3HG2 THR 18 -5.763 2.211 5.196 146 3HG2 THR 18 2HG2 THR 18 -4.547 3.513 5.373 147 H ILE 19 H ILE 19 -4.633 -1.181 1.692 148 HA ILE 19 HA ILE 19 -5.437 -2.966 3.837 149 HB ILE 19 HB ILE 19 -5.943 -3.063 1.265 150 1HG1 ILE 19 1HG1 ILE 19 -5.121 -5.572 2.599 151 2HG1 ILE 19 2HG1 ILE 19 -6.698 -4.861 2.582 152 1HG2 ILE 19 3HG2 ILE 19 -3.576 -2.724 0.705 153 2HG2 ILE 19 2HG2 ILE 19 -3.330 -4.475 0.946 154 3HG2 ILE 19 1HG2 ILE 19 -4.428 -3.889 -0.311 155 1HD1 ILE 19 1HD1 ILE 19 -6.750 -5.011 0.038 156 2HD1 ILE 19 3HD1 ILE 19 -5.247 -5.925 0.083 157 3HD1 ILE 19 2HD1 ILE 19 -6.717 -6.591 0.816 158 H SER 20 H SER 20 -3.920 -4.964 4.250 159 HA SER 20 HA SER 20 -1.334 -3.673 4.825 160 1HB SER 20 2HB SER 20 -2.067 -5.376 6.449 161 2HB SER 20 1HB SER 20 -2.154 -6.594 5.285 162 HG SER 20 HG SER 20 0.721 -5.881 5.474 163 H ARG 21 H ARG 21 0.685 -4.399 4.063 164 HA ARG 21 HA ARG 21 0.983 -4.503 1.361 165 1HB ARG 21 2HB ARG 21 2.761 -4.056 3.144 166 2HB ARG 21 1HB ARG 21 3.064 -5.776 3.189 167 1HG ARG 21 2HG ARG 21 3.638 -5.763 0.771 168 2HG ARG 21 1HG ARG 21 3.243 -4.077 0.658 169 1HD ARG 21 2HD ARG 21 5.749 -4.413 0.878 170 2HD ARG 21 1HD ARG 21 5.090 -3.469 2.201 171 HE ARG 21 HE ARG 21 5.754 -5.088 3.643 172 1HH1 ARG 21 1HH2 ARG 21 5.544 -6.542 0.419 173 2HH1 ARG 21 2HH2 ARG 21 6.159 -8.067 0.950 174 1HH2 ARG 21 2HH1 ARG 21 6.566 -7.096 4.272 175 2HH2 ARG 21 1HH1 ARG 21 6.769 -8.374 3.122 176 H LYS 22 H LYS 22 0.644 -7.513 3.506 177 HA LYS 22 HA LYS 22 1.354 -9.172 1.331 178 1HB LYS 22 2HB LYS 22 1.137 -10.928 2.708 179 2HB LYS 22 1HB LYS 22 1.653 -9.659 3.827 180 1HG LYS 22 2HG LYS 22 -1.102 -10.858 3.420 181 2HG LYS 22 1HG LYS 22 -0.037 -11.179 4.760 182 1HD LYS 22 2HD LYS 22 -0.801 -8.372 4.265 183 2HD LYS 22 1HD LYS 22 -2.101 -9.386 4.750 184 1HE LYS 22 1HE LYS 22 0.468 -9.105 6.410 185 2HE LYS 22 2HE LYS 22 -1.072 -8.315 6.771 186 1HZ LYS 22 3HZ LYS 22 -2.108 -10.405 6.993 187 2HZ LYS 22 2HZ LYS 22 -0.654 -11.211 6.665 188 3HZ LYS 22 1HZ LYS 22 -0.795 -10.251 8.058 189 H ASP 23 H ASP 23 -1.533 -7.677 2.433 190 HA ASP 23 HA ASP 23 -3.220 -9.729 1.442 191 1HB ASP 23 2HB ASP 23 -3.618 -6.766 2.203 192 2HB ASP 23 1HB ASP 23 -4.994 -7.640 1.642 193 H ALA 24 H ALA 24 -1.936 -6.796 0.371 194 HA ALA 24 HA ALA 24 -3.440 -6.561 -2.092 195 1HB ALA 24 3HB ALA 24 -0.778 -5.400 -1.164 196 2HB ALA 24 2HB ALA 24 -1.626 -4.893 -2.654 197 3HB ALA 24 1HB ALA 24 -2.401 -4.697 -1.060 198 H GLU 25 H GLU 25 -0.688 -8.435 -1.104 199 HA GLU 25 HA GLU 25 0.233 -9.003 -3.786 200 1HB GLU 25 2HB GLU 25 0.739 -10.396 -1.094 201 2HB GLU 25 1HB GLU 25 1.555 -10.850 -2.554 202 1HG GLU 25 2HG GLU 25 2.773 -8.790 -2.679 203 2HG GLU 25 1HG GLU 25 1.752 -7.988 -1.520 204 H ARG 26 H ARG 26 -2.048 -10.310 -1.429 205 HA ARG 26 HA ARG 26 -2.206 -12.938 -2.496 206 1HB ARG 26 2HB ARG 26 -3.833 -13.260 -0.774 207 2HB ARG 26 1HB ARG 26 -3.026 -11.834 -0.193 208 1HG ARG 26 2HG ARG 26 -5.090 -10.645 -1.591 209 2HG ARG 26 1HG ARG 26 -5.794 -12.164 -1.233 210 1HD ARG 26 2HD ARG 26 -4.940 -11.486 1.303 211 2HD ARG 26 1HD ARG 26 -5.189 -9.872 0.640 212 HE ARG 26 HE ARG 26 -7.187 -11.837 1.288 213 1HH1 ARG 26 1HH2 ARG 26 -6.390 -9.113 -0.761 214 2HH1 ARG 26 2HH2 ARG 26 -8.026 -8.607 -1.010 215 1HH2 ARG 26 2HH1 ARG 26 -9.356 -11.176 1.004 216 2HH2 ARG 26 1HH1 ARG 26 -9.738 -9.807 0.019 217 H GLN 27 H GLN 27 -3.668 -9.967 -3.146 218 HA GLN 27 HA GLN 27 -5.833 -10.746 -4.814 219 1HB GLN 27 2HB GLN 27 -4.145 -8.207 -4.649 220 2HB GLN 27 1HB GLN 27 -5.567 -8.260 -5.631 221 1HG GLN 27 2HG GLN 27 -5.780 -9.039 -2.725 222 2HG GLN 27 1HG GLN 27 -5.587 -7.352 -3.102 223 1HE2 GLN 27 2HE2 GLN 27 -8.893 -8.652 -5.096 224 2HE2 GLN 27 1HE2 GLN 27 -7.315 -9.146 -5.563 225 H LEU 28 H LEU 28 -2.600 -9.448 -5.686 226 HA LEU 28 HA LEU 28 -3.168 -9.650 -8.454 227 1HB LEU 28 2HB LEU 28 -0.491 -9.332 -7.026 228 2HB LEU 28 1HB LEU 28 -0.785 -8.883 -8.698 229 HG LEU 28 HG LEU 28 -2.524 -7.641 -6.578 230 1HD1 LEU 28 2HD1 LEU 28 0.216 -6.786 -7.488 231 2HD1 LEU 28 1HD1 LEU 28 -0.936 -5.820 -6.538 232 3HD1 LEU 28 3HD1 LEU 28 -0.213 -7.290 -5.858 233 1HD2 LEU 28 3HD2 LEU 28 -2.997 -7.628 -9.156 234 2HD2 LEU 28 2HD2 LEU 28 -2.896 -6.092 -8.372 235 3HD2 LEU 28 1HD2 LEU 28 -1.505 -6.683 -9.247 236 H LEU 29 H LEU 29 -1.473 -11.784 -6.107 237 HA LEU 29 HA LEU 29 -0.345 -13.506 -8.008 238 1HB LEU 29 2HB LEU 29 -1.164 -13.815 -5.108 239 2HB LEU 29 1HB LEU 29 -0.288 -15.060 -5.955 240 HG LEU 29 HG LEU 29 0.777 -12.179 -5.798 241 1HD1 LEU 29 3HD1 LEU 29 0.394 -13.114 -3.530 242 2HD1 LEU 29 2HD1 LEU 29 1.409 -14.494 -3.925 243 3HD1 LEU 29 1HD1 LEU 29 2.106 -12.870 -3.882 244 1HD2 LEU 29 2HD2 LEU 29 2.055 -14.905 -6.479 245 2HD2 LEU 29 1HD2 LEU 29 1.857 -13.534 -7.565 246 3HD2 LEU 29 3HD2 LEU 29 2.959 -13.429 -6.204 247 H ALA 30 H ALA 30 -3.699 -13.075 -7.067 248 HA ALA 30 HA ALA 30 -4.716 -15.630 -7.403 249 1HB ALA 30 3HB ALA 30 -6.122 -13.607 -6.859 250 2HB ALA 30 2HB ALA 30 -5.912 -13.006 -8.504 251 3HB ALA 30 1HB ALA 30 -6.817 -14.481 -8.221 252 HA PRO 31 HA PRO 31 -3.805 -16.771 -11.603 253 1HB PRO 31 2HB PRO 31 -5.790 -18.651 -12.075 254 2HB PRO 31 1HB PRO 31 -4.439 -18.911 -10.979 255 1HG PRO 31 2HG PRO 31 -7.199 -17.967 -10.233 256 2HG PRO 31 1HG PRO 31 -6.262 -19.264 -9.458 257 1HD PRO 31 1HD PRO 31 -6.366 -16.788 -8.395 258 2HD PRO 31 2HD PRO 31 -4.843 -17.717 -8.369 259 H MET 32 H MET 32 -6.578 -14.973 -10.731 260 HA MET 32 HA MET 32 -7.981 -14.865 -13.139 261 1HB MET 32 2HB MET 32 -7.777 -13.151 -10.626 262 2HB MET 32 1HB MET 32 -9.061 -13.077 -11.776 263 1HG MET 32 2HG MET 32 -9.560 -15.563 -11.224 264 2HG MET 32 1HG MET 32 -8.437 -15.388 -9.896 265 1HE MET 32 2HE MET 32 -8.608 -12.876 -8.546 266 2HE MET 32 1HE MET 32 -10.056 -12.822 -7.541 267 3HE MET 32 3HE MET 32 -9.042 -14.286 -7.582 268 H ASN 33 H ASN 33 -5.309 -13.169 -11.632 269 HA ASN 33 HA ASN 33 -5.308 -11.124 -13.793 270 1HB ASN 33 2HB ASN 33 -4.323 -10.655 -10.918 271 2HB ASN 33 1HB ASN 33 -4.546 -9.458 -12.191 272 1HD2 ASN 33 2HD2 ASN 33 -8.080 -9.403 -12.157 273 2HD2 ASN 33 1HD2 ASN 33 -6.726 -9.350 -13.208 274 H LYS 34 H LYS 34 -3.146 -9.940 -13.823 275 HA LYS 34 HA LYS 34 -0.861 -11.736 -13.619 276 1HB LYS 34 2HB LYS 34 -0.412 -11.404 -16.187 277 2HB LYS 34 1HB LYS 34 -1.543 -12.607 -15.676 278 1HG LYS 34 2HG LYS 34 -2.334 -11.308 -17.604 279 2HG LYS 34 1HG LYS 34 -3.446 -11.287 -16.269 280 1HD LYS 34 2HD LYS 34 -2.811 -8.980 -15.695 281 2HD LYS 34 1HD LYS 34 -1.527 -8.982 -16.891 282 1HE LYS 34 1HE LYS 34 -4.468 -9.412 -17.614 283 2HE LYS 34 2HE LYS 34 -3.749 -7.816 -17.549 284 1HZ LYS 34 3HZ LYS 34 -2.793 -10.009 -19.243 285 2HZ LYS 34 2HZ LYS 34 -3.796 -8.736 -19.750 286 3HZ LYS 34 1HZ LYS 34 -2.213 -8.414 -19.225 287 H ALA 35 H ALA 35 1.074 -10.833 -14.277 288 HA ALA 35 HA ALA 35 2.027 -8.719 -13.292 289 1HB ALA 35 3HB ALA 35 3.379 -10.285 -14.693 290 2HB ALA 35 2HB ALA 35 2.771 -9.528 -16.160 291 3HB ALA 35 1HB ALA 35 3.815 -8.623 -15.060 292 H GLY 36 H GLY 36 2.082 -6.732 -13.246 293 1HA GLY 36 2HA GLY 36 2.018 -4.588 -13.835 294 2HA GLY 36 1HA GLY 36 1.270 -4.937 -15.411 295 H SER 37 H SER 37 -0.877 -6.616 -13.957 296 HA SER 37 HA SER 37 -2.692 -4.753 -13.114 297 1HB SER 37 2HB SER 37 -3.904 -6.556 -11.935 298 2HB SER 37 1HB SER 37 -3.589 -7.010 -13.523 299 HG SER 37 HG SER 37 -1.472 -8.339 -12.071 300 H PHE 38 H PHE 38 -3.501 -4.244 -10.959 301 HA PHE 38 HA PHE 38 -1.127 -4.163 -9.075 302 1HB PHE 38 2HB PHE 38 -2.842 -1.533 -9.343 303 2HB PHE 38 1HB PHE 38 -1.128 -1.777 -9.155 304 HD1 PHE 38 HD1 PHE 38 -3.448 -2.677 -12.040 305 HD2 PHE 38 HD2 PHE 38 -0.240 -0.263 -10.526 306 HE1 PHE 38 HE1 PHE 38 -3.224 -1.652 -14.204 307 HE2 PHE 38 HE2 PHE 38 -0.085 0.791 -12.718 308 HZ PHE 38 HZ PHE 38 -1.510 0.128 -14.509 309 H LEU 39 H LEU 39 -1.532 -2.750 -7.481 310 HA LEU 39 HA LEU 39 -3.937 -2.335 -5.873 311 1HB LEU 39 2HB LEU 39 -1.471 -4.039 -5.420 312 2HB LEU 39 1HB LEU 39 -1.926 -3.189 -4.041 313 HG LEU 39 HG LEU 39 -2.659 -5.558 -4.243 314 1HD1 LEU 39 1HD1 LEU 39 -3.498 -3.907 -2.666 315 2HD1 LEU 39 3HD1 LEU 39 -4.763 -3.462 -3.797 316 3HD1 LEU 39 2HD1 LEU 39 -4.780 -5.068 -3.037 317 1HD2 LEU 39 3HD2 LEU 39 -3.620 -5.710 -6.453 318 2HD2 LEU 39 2HD2 LEU 39 -4.760 -6.093 -5.168 319 3HD2 LEU 39 1HD2 LEU 39 -4.910 -4.547 -6.000 320 H ILE 40 H ILE 40 -3.611 -0.065 -5.012 321 HA ILE 40 HA ILE 40 -0.681 0.441 -4.473 322 HB ILE 40 HB ILE 40 -1.969 1.528 -6.758 323 1HG1 ILE 40 1HG1 ILE 40 0.023 3.308 -5.235 324 2HG1 ILE 40 2HG1 ILE 40 0.476 1.721 -5.820 325 1HG2 ILE 40 1HG2 ILE 40 -2.023 3.622 -4.500 326 2HG2 ILE 40 3HG2 ILE 40 -2.181 4.024 -6.128 327 3HG2 ILE 40 2HG2 ILE 40 -3.470 3.053 -5.387 328 1HD1 ILE 40 2HD1 ILE 40 -0.494 2.368 -8.194 329 2HD1 ILE 40 1HD1 ILE 40 -0.515 3.961 -7.539 330 3HD1 ILE 40 3HD1 ILE 40 1.017 3.079 -7.657 331 H ARG 41 H ARG 41 -0.665 0.472 -2.254 332 HA ARG 41 HA ARG 41 -3.004 1.373 -0.784 333 1HB ARG 41 2HB ARG 41 -1.387 0.761 1.214 334 2HB ARG 41 1HB ARG 41 -2.467 -0.237 0.664 335 1HG ARG 41 2HG ARG 41 0.148 -0.414 -0.819 336 2HG ARG 41 1HG ARG 41 0.209 -0.721 0.914 337 1HD ARG 41 2HD ARG 41 -0.404 -2.862 -0.097 338 2HD ARG 41 1HD ARG 41 -1.794 -2.171 0.710 339 HE ARG 41 HE ARG 41 -1.357 -2.458 -2.173 340 1HH1 ARG 41 1HH2 ARG 41 -3.732 -1.055 0.145 341 2HH1 ARG 41 2HH2 ARG 41 -4.816 -0.683 -1.148 342 1HH2 ARG 41 2HH1 ARG 41 -2.887 -1.913 -3.628 343 2HH2 ARG 41 1HH1 ARG 41 -4.382 -1.181 -3.182 344 H GLU 42 H GLU 42 -2.627 2.625 1.137 345 HA GLU 42 HA GLU 42 -0.738 4.833 0.715 346 1HB GLU 42 2HB GLU 42 -2.169 6.323 1.814 347 2HB GLU 42 1HB GLU 42 -3.321 5.337 0.944 348 1HG GLU 42 2HG GLU 42 -3.969 4.220 2.869 349 2HG GLU 42 1HG GLU 42 -2.663 4.813 3.888 350 H SER 43 H SER 43 0.507 5.500 2.471 351 HA SER 43 HA SER 43 1.095 3.203 4.271 352 1HB SER 43 2HB SER 43 3.222 4.370 3.537 353 2HB SER 43 1HB SER 43 2.490 5.799 3.504 354 HG SER 43 HG SER 43 2.647 5.112 6.375 355 H GLU 44 H GLU 44 -0.545 3.151 5.808 356 HA GLU 44 HA GLU 44 -2.060 5.383 6.337 357 1HB GLU 44 2HB GLU 44 -2.930 4.168 8.388 358 2HB GLU 44 1HB GLU 44 -3.039 3.380 6.862 359 1HG GLU 44 2HG GLU 44 -0.924 2.028 7.452 360 2HG GLU 44 1HG GLU 44 -0.949 2.793 9.018 361 H SER 45 H SER 45 1.059 4.673 7.553 362 HA SER 45 HA SER 45 0.875 6.243 10.000 363 1HB SER 45 2HB SER 45 3.147 5.502 10.376 364 2HB SER 45 1HB SER 45 2.131 4.217 9.941 365 HG SER 45 HG SER 45 3.636 5.056 7.499 366 H ASN 46 H ASN 46 1.465 7.264 6.623 367 HA ASN 46 HA ASN 46 3.056 9.537 7.746 368 1HB ASN 46 2HB ASN 46 4.333 9.526 5.751 369 2HB ASN 46 1HB ASN 46 4.136 7.856 5.812 370 1HD2 ASN 46 2HD2 ASN 46 1.515 7.966 3.283 371 2HD2 ASN 46 1HD2 ASN 46 1.746 7.318 4.847 372 H LYS 47 H LYS 47 2.997 11.174 5.634 373 HA LYS 47 HA LYS 47 0.255 12.090 5.402 374 1HB LYS 47 2HB LYS 47 1.143 14.340 4.955 375 2HB LYS 47 1HB LYS 47 1.623 13.706 6.512 376 1HG LYS 47 2HG LYS 47 3.412 13.094 4.250 377 2HG LYS 47 1HG LYS 47 3.382 14.774 4.738 378 1HD LYS 47 2HD LYS 47 4.318 14.330 6.845 379 2HD LYS 47 1HD LYS 47 3.544 12.766 6.941 380 1HE LYS 47 1HE LYS 47 5.933 12.399 6.707 381 2HE LYS 47 2HE LYS 47 5.082 11.831 5.279 382 1HZ LYS 47 1HZ LYS 47 6.479 14.432 5.466 383 2HZ LYS 47 3HZ LYS 47 7.112 13.012 4.775 384 3HZ LYS 47 2HZ LYS 47 5.745 13.748 4.100 385 H GLY 48 H GLY 48 -0.076 10.381 3.710 386 1HA GLY 48 2HA GLY 48 -0.867 10.391 1.499 387 2HA GLY 48 1HA GLY 48 0.116 11.823 1.130 388 H ALA 49 H ALA 49 1.923 9.517 2.496 389 HA ALA 49 HA ALA 49 3.331 8.826 -0.030 390 1HB ALA 49 2HB ALA 49 4.739 8.776 2.293 391 2HB ALA 49 1HB ALA 49 3.927 7.274 2.651 392 3HB ALA 49 3HB ALA 49 4.958 7.416 1.247 393 H PHE 50 H PHE 50 2.855 7.169 -1.365 394 HA PHE 50 HA PHE 50 0.925 5.173 -0.294 395 1HB PHE 50 2HB PHE 50 1.236 6.245 -3.115 396 2HB PHE 50 1HB PHE 50 0.461 4.746 -2.816 397 HD1 PHE 50 HD1 PHE 50 -0.129 7.212 -0.096 398 HD2 PHE 50 HD2 PHE 50 -1.423 5.831 -3.945 399 HE1 PHE 50 HE1 PHE 50 -2.201 8.383 0.195 400 HE2 PHE 50 HE2 PHE 50 -3.523 7.037 -3.624 401 HZ PHE 50 HZ PHE 50 -3.939 8.315 -1.563 402 H SER 51 H SER 51 1.190 3.141 -2.081 403 HA SER 51 HA SER 51 3.909 2.119 -2.149 404 1HB SER 51 2HB SER 51 2.192 -0.023 -0.883 405 2HB SER 51 1HB SER 51 3.746 0.438 -0.657 406 HG SER 51 HG SER 51 1.893 2.319 0.810 407 H LEU 52 H LEU 52 3.825 -0.118 -3.401 408 HA LEU 52 HA LEU 52 1.231 -0.603 -4.797 409 1HB LEU 52 2HB LEU 52 2.453 1.292 -6.077 410 2HB LEU 52 1HB LEU 52 3.943 0.474 -5.912 411 HG LEU 52 HG LEU 52 3.188 -1.159 -7.684 412 1HD1 LEU 52 1HD1 LEU 52 0.845 0.726 -7.898 413 2HD1 LEU 52 3HD1 LEU 52 1.289 -0.410 -9.171 414 3HD1 LEU 52 2HD1 LEU 52 0.756 -1.013 -7.603 415 1HD2 LEU 52 1HD2 LEU 52 4.587 0.909 -8.195 416 2HD2 LEU 52 3HD2 LEU 52 3.611 0.388 -9.548 417 3HD2 LEU 52 2HD2 LEU 52 3.113 1.790 -8.605 418 H SER 53 H SER 53 0.907 -2.456 -5.382 419 HA SER 53 HA SER 53 3.014 -4.564 -5.312 420 1HB SER 53 2HB SER 53 0.118 -5.217 -4.756 421 2HB SER 53 1HB SER 53 1.450 -6.031 -4.198 422 HG SER 53 HG SER 53 1.427 -3.459 -2.727 423 H VAL 54 H VAL 54 3.281 -5.593 -7.134 424 HA VAL 54 HA VAL 54 1.177 -5.605 -9.225 425 HB VAL 54 HB VAL 54 4.078 -4.777 -9.512 426 1HG1 VAL 54 3HG1 VAL 54 2.034 -5.343 -11.673 427 2HG1 VAL 54 2HG1 VAL 54 3.475 -4.385 -12.011 428 3HG1 VAL 54 1HG1 VAL 54 3.651 -6.055 -11.513 429 1HG2 VAL 54 2HG2 VAL 54 2.509 -2.923 -8.756 430 2HG2 VAL 54 1HG2 VAL 54 3.329 -2.608 -10.262 431 3HG2 VAL 54 3HG2 VAL 54 1.628 -3.113 -10.265 432 H LYS 55 H LYS 55 1.346 -7.560 -10.530 433 HA LYS 55 HA LYS 55 2.709 -9.659 -8.990 434 1HB LYS 55 2HB LYS 55 0.523 -9.930 -9.994 435 2HB LYS 55 1HB LYS 55 1.237 -9.840 -11.599 436 1HG LYS 55 2HG LYS 55 2.404 -11.917 -11.272 437 2HG LYS 55 1HG LYS 55 1.998 -11.979 -9.572 438 1HD LYS 55 2HD LYS 55 -0.304 -12.172 -10.006 439 2HD LYS 55 1HD LYS 55 -0.158 -11.870 -11.707 440 1HE LYS 55 1HE LYS 55 1.362 -14.131 -11.535 441 2HE LYS 55 2HE LYS 55 0.381 -14.335 -10.094 442 1HZ LYS 55 3HZ LYS 55 -1.589 -14.136 -11.479 443 2HZ LYS 55 2HZ LYS 55 -0.605 -14.025 -12.852 444 3HZ LYS 55 1HZ LYS 55 -0.575 -15.435 -11.905 445 H ASP 56 H ASP 56 5.161 -9.742 -9.244 446 HA ASP 56 HA ASP 56 5.993 -9.584 -12.074 447 1HB ASP 56 2HB ASP 56 7.488 -9.477 -9.489 448 2HB ASP 56 1HB ASP 56 8.316 -9.997 -10.946 449 H ILE 57 H ILE 57 5.788 -11.114 -13.328 450 HA ILE 57 HA ILE 57 5.906 -13.895 -12.328 451 HB ILE 57 HB ILE 57 4.880 -12.871 -14.980 452 1HG1 ILE 57 1HG1 ILE 57 3.520 -13.442 -12.329 453 2HG1 ILE 57 2HG1 ILE 57 3.497 -11.950 -13.236 454 1HG2 ILE 57 2HG2 ILE 57 5.591 -15.281 -15.026 455 2HG2 ILE 57 1HG2 ILE 57 4.575 -15.607 -13.625 456 3HG2 ILE 57 3HG2 ILE 57 3.856 -15.148 -15.168 457 1HD1 ILE 57 3HD1 ILE 57 2.206 -13.219 -15.067 458 2HD1 ILE 57 2HD1 ILE 57 2.039 -14.515 -13.856 459 3HD1 ILE 57 1HD1 ILE 57 1.364 -12.907 -13.550 460 H THR 58 H THR 58 7.358 -15.300 -12.939 461 HA THR 58 HA THR 58 9.215 -14.804 -15.122 462 HB THR 58 HB THR 58 10.172 -13.485 -13.307 463 HG1 THR 58 HG1 THR 58 11.950 -15.848 -13.681 464 1HG2 THR 58 3HG2 THR 58 9.785 -15.838 -11.385 465 2HG2 THR 58 2HG2 THR 58 10.784 -14.423 -11.020 466 3HG2 THR 58 1HG2 THR 58 9.103 -14.239 -11.379 467 H THR 59 H THR 59 10.905 -16.597 -15.200 468 HA THR 59 HA THR 59 9.443 -19.092 -14.873 469 HB THR 59 HB THR 59 10.556 -18.924 -16.864 470 HG1 THR 59 HG1 THR 59 12.020 -21.033 -15.326 471 1HG2 THR 59 1HG2 THR 59 13.238 -18.134 -15.554 472 2HG2 THR 59 3HG2 THR 59 13.020 -18.583 -17.230 473 3HG2 THR 59 2HG2 THR 59 12.157 -17.233 -16.621 474 H GLN 60 H GLN 60 10.899 -17.401 -12.596 475 HA GLN 60 HA GLN 60 11.930 -19.875 -11.251 476 1HB GLN 60 2HB GLN 60 13.042 -17.081 -10.925 477 2HB GLN 60 1HB GLN 60 13.519 -18.462 -10.021 478 1HG GLN 60 2HG GLN 60 14.379 -19.649 -11.972 479 2HG GLN 60 1HG GLN 60 13.768 -18.477 -13.086 480 1HE2 GLN 60 2HE2 GLN 60 17.284 -17.926 -11.115 481 2HE2 GLN 60 1HE2 GLN 60 16.240 -19.279 -10.835 482 H GLY 61 H GLY 61 9.218 -18.342 -11.283 483 1HA GLY 61 2HA GLY 61 7.825 -19.101 -9.372 484 2HA GLY 61 1HA GLY 61 8.958 -18.222 -8.295 485 H GLU 62 H GLU 62 5.919 -18.084 -9.106 486 HA GLU 62 HA GLU 62 5.492 -15.510 -10.141 487 1HB GLU 62 2HB GLU 62 4.027 -17.678 -10.040 488 2HB GLU 62 1HB GLU 62 3.698 -17.272 -8.370 489 1HG GLU 62 2HG GLU 62 2.803 -15.041 -9.153 490 2HG GLU 62 1HG GLU 62 3.063 -15.579 -10.813 491 H VAL 63 H VAL 63 5.559 -13.556 -9.055 492 HA VAL 63 HA VAL 63 5.229 -13.533 -6.116 493 HB VAL 63 HB VAL 63 7.187 -12.073 -5.882 494 1HG1 VAL 63 1HG1 VAL 63 7.610 -14.478 -5.669 495 2HG1 VAL 63 3HG1 VAL 63 8.092 -14.552 -7.364 496 3HG1 VAL 63 2HG1 VAL 63 9.022 -13.585 -6.229 497 1HG2 VAL 63 3HG2 VAL 63 7.008 -11.131 -8.372 498 2HG2 VAL 63 2HG2 VAL 63 8.580 -11.263 -7.616 499 3HG2 VAL 63 1HG2 VAL 63 8.056 -12.478 -8.768 500 H VAL 64 H VAL 64 5.789 -10.942 -5.817 501 HA VAL 64 HA VAL 64 4.102 -9.389 -7.599 502 HB VAL 64 HB VAL 64 4.059 -9.235 -4.526 503 1HG1 VAL 64 2HG1 VAL 64 2.296 -7.752 -6.550 504 2HG1 VAL 64 1HG1 VAL 64 1.873 -7.952 -4.907 505 3HG1 VAL 64 3HG1 VAL 64 3.266 -6.967 -5.259 506 1HG2 VAL 64 2HG2 VAL 64 2.866 -11.233 -5.387 507 2HG2 VAL 64 1HG2 VAL 64 1.769 -10.025 -4.715 508 3HG2 VAL 64 3HG2 VAL 64 1.931 -10.129 -6.450 509 H LYS 65 H LYS 65 4.674 -7.137 -6.359 510 HA LYS 65 HA LYS 65 7.529 -6.723 -5.735 511 1HB LYS 65 2HB LYS 65 6.319 -5.542 -8.265 512 2HB LYS 65 1HB LYS 65 7.630 -4.717 -7.459 513 1HG LYS 65 2HG LYS 65 7.785 -7.509 -8.575 514 2HG LYS 65 1HG LYS 65 8.415 -6.054 -9.321 515 1HD LYS 65 2HD LYS 65 9.921 -5.755 -7.301 516 2HD LYS 65 1HD LYS 65 9.385 -7.313 -6.716 517 1HE LYS 65 1HE LYS 65 10.866 -6.801 -9.345 518 2HE LYS 65 2HE LYS 65 11.520 -7.574 -7.903 519 1HZ LYS 65 2HZ LYS 65 9.842 -9.310 -8.192 520 2HZ LYS 65 1HZ LYS 65 9.382 -8.572 -9.645 521 3HZ LYS 65 3HZ LYS 65 10.952 -9.200 -9.481 522 H HIS 66 H HIS 66 7.643 -5.469 -4.147 523 HA HIS 66 HA HIS 66 5.400 -3.622 -3.559 524 1HB HIS 66 2HB HIS 66 7.502 -4.296 -1.490 525 2HB HIS 66 1HB HIS 66 5.776 -3.982 -1.306 526 HD1 HIS 66 HD1 HIS 66 8.192 -6.694 -1.786 527 HD2 HIS 66 HD2 HIS 66 4.067 -6.131 -2.360 528 HE1 HIS 66 HE1 HIS 66 7.159 -8.994 -2.117 529 H TYR 67 H TYR 67 5.951 -1.934 -4.866 530 HA TYR 67 HA TYR 67 8.575 -0.656 -4.631 531 1HB TYR 67 2HB TYR 67 6.195 0.598 -6.058 532 2HB TYR 67 1HB TYR 67 7.902 0.854 -6.330 533 HD1 TYR 67 HD2 TYR 67 5.105 -1.420 -6.791 534 HD2 TYR 67 HD1 TYR 67 9.191 -0.703 -7.720 535 HE1 TYR 67 HE2 TYR 67 4.932 -3.091 -8.441 536 HE2 TYR 67 HE1 TYR 67 9.128 -2.405 -9.443 537 HH TYR 67 HH TYR 67 6.619 -3.573 -10.994 538 H LYS 68 H LYS 68 8.694 1.602 -4.154 539 HA LYS 68 HA LYS 68 6.914 2.433 -1.933 540 1HB LYS 68 2HB LYS 68 8.622 3.003 -0.534 541 2HB LYS 68 1HB LYS 68 8.980 1.418 -1.140 542 1HG LYS 68 2HG LYS 68 10.183 4.033 -1.946 543 2HG LYS 68 1HG LYS 68 11.001 2.768 -1.062 544 1HD LYS 68 2HD LYS 68 10.096 2.712 -3.968 545 2HD LYS 68 1HD LYS 68 11.736 2.924 -3.458 546 1HE LYS 68 1HE LYS 68 10.144 0.352 -2.880 547 2HE LYS 68 2HE LYS 68 11.182 0.580 -4.277 548 1HZ LYS 68 2HZ LYS 68 13.029 0.904 -2.826 549 2HZ LYS 68 1HZ LYS 68 12.027 0.696 -1.469 550 3HZ LYS 68 3HZ LYS 68 12.268 -0.586 -2.556 551 H ILE 69 H ILE 69 5.670 3.831 -2.710 552 HA ILE 69 HA ILE 69 6.688 6.029 -4.348 553 HB ILE 69 HB ILE 69 4.093 6.598 -4.241 554 1HG1 ILE 69 1HG1 ILE 69 3.981 3.912 -3.389 555 2HG1 ILE 69 2HG1 ILE 69 2.722 5.017 -3.774 556 1HG2 ILE 69 3HG2 ILE 69 5.604 6.639 -6.195 557 2HG2 ILE 69 2HG2 ILE 69 5.035 5.012 -6.549 558 3HG2 ILE 69 1HG2 ILE 69 3.876 6.350 -6.397 559 1HD1 ILE 69 1HD1 ILE 69 2.971 4.270 -6.248 560 2HD1 ILE 69 3HD1 ILE 69 3.940 2.957 -5.620 561 3HD1 ILE 69 2HD1 ILE 69 2.245 3.169 -5.134 562 H ARG 70 H ARG 70 7.787 7.314 -3.083 563 HA ARG 70 HA ARG 70 6.607 8.280 -0.560 564 1HB ARG 70 2HB ARG 70 9.180 9.056 -2.030 565 2HB ARG 70 1HB ARG 70 8.626 9.925 -0.649 566 1HG ARG 70 2HG ARG 70 10.133 8.414 0.256 567 2HG ARG 70 1HG ARG 70 8.561 7.739 0.664 568 1HD ARG 70 2HD ARG 70 8.666 6.137 -1.110 569 2HD ARG 70 1HD ARG 70 10.066 6.916 -1.870 570 HE ARG 70 HE ARG 70 10.038 5.032 0.344 571 1HH1 ARG 70 1HH2 ARG 70 11.787 7.733 -1.084 572 2HH1 ARG 70 2HH2 ARG 70 13.314 7.299 -0.403 573 1HH2 ARG 70 2HH1 ARG 70 12.065 4.461 1.240 574 2HH2 ARG 70 1HH1 ARG 70 13.469 5.429 0.933 575 H SER 71 H SER 71 5.536 9.935 -0.338 576 HA SER 71 HA SER 71 4.635 11.432 -2.685 577 1HB SER 71 2HB SER 71 2.851 12.390 -1.313 578 2HB SER 71 1HB SER 71 2.938 10.719 -1.204 579 HG SER 71 HG SER 71 4.308 11.849 1.200 580 H LEU 72 H LEU 72 5.681 13.122 -3.309 581 HA LEU 72 HA LEU 72 7.212 14.796 -1.471 582 1HB LEU 72 2HB LEU 72 7.237 15.185 -4.490 583 2HB LEU 72 1HB LEU 72 8.489 15.466 -3.319 584 HG LEU 72 HG LEU 72 9.266 13.724 -4.386 585 1HD1 LEU 72 3HD1 LEU 72 8.429 13.167 -1.702 586 2HD1 LEU 72 2HD1 LEU 72 8.490 11.672 -2.623 587 3HD1 LEU 72 1HD1 LEU 72 9.873 12.755 -2.535 588 1HD2 LEU 72 2HD2 LEU 72 7.156 13.299 -5.738 589 2HD2 LEU 72 1HD2 LEU 72 8.106 11.875 -5.390 590 3HD2 LEU 72 3HD2 LEU 72 6.663 12.200 -4.477 591 H ASP 73 H ASP 73 6.933 16.684 -1.153 592 HA ASP 73 HA ASP 73 4.330 17.872 -1.284 593 1HB ASP 73 2HB ASP 73 5.536 19.952 -0.395 594 2HB ASP 73 1HB ASP 73 5.783 18.492 0.559 595 H ASN 74 H ASN 74 7.094 18.054 -3.390 596 HA ASN 74 HA ASN 74 5.675 20.105 -5.013 597 1HB ASN 74 2HB ASN 74 7.976 20.952 -5.628 598 2HB ASN 74 1HB ASN 74 7.652 21.044 -3.910 599 1HD2 ASN 74 2HD2 ASN 74 10.962 19.830 -3.719 600 2HD2 ASN 74 1HD2 ASN 74 9.977 21.244 -3.781 601 H GLY 75 H GLY 75 6.366 16.946 -5.076 602 1HA GLY 75 2HA GLY 75 6.419 17.029 -8.073 603 2HA GLY 75 1HA GLY 75 7.695 16.082 -7.249 604 H GLY 76 H GLY 76 4.834 15.853 -5.696 605 1HA GLY 76 2HA GLY 76 2.942 14.442 -5.873 606 2HA GLY 76 1HA GLY 76 3.599 13.831 -7.418 607 H TYR 77 H TYR 77 5.058 12.142 -7.486 608 HA TYR 77 HA TYR 77 5.523 10.600 -5.036 609 1HB TYR 77 2HB TYR 77 3.863 9.346 -7.351 610 2HB TYR 77 1HB TYR 77 4.653 8.492 -6.072 611 HD1 TYR 77 HD1 TYR 77 4.003 8.675 -3.760 612 HD2 TYR 77 HD2 TYR 77 1.935 10.621 -6.853 613 HE1 TYR 77 HE1 TYR 77 2.185 8.882 -2.273 614 HE2 TYR 77 HE2 TYR 77 -0.051 10.911 -5.511 615 HH TYR 77 HH TYR 77 -0.803 9.180 -2.855 616 H TYR 78 H TYR 78 7.120 9.232 -5.155 617 HA TYR 78 HA TYR 78 8.305 8.726 -7.816 618 1HB TYR 78 2HB TYR 78 10.424 9.442 -7.450 619 2HB TYR 78 1HB TYR 78 9.524 10.720 -6.729 620 HD1 TYR 78 HD2 TYR 78 11.611 7.745 -6.022 621 HD2 TYR 78 HD1 TYR 78 9.831 11.281 -4.398 622 HE1 TYR 78 HE2 TYR 78 13.045 7.523 -4.222 623 HE2 TYR 78 HE1 TYR 78 11.278 11.166 -2.520 624 HH TYR 78 HH TYR 78 14.076 9.778 -2.314 625 H ILE 79 H ILE 79 9.062 6.960 -8.180 626 HA ILE 79 HA ILE 79 9.430 4.934 -6.082 627 HB ILE 79 HB ILE 79 8.662 3.312 -8.025 628 1HG1 ILE 79 1HG1 ILE 79 6.601 5.488 -8.003 629 2HG1 ILE 79 2HG1 ILE 79 7.720 5.336 -9.295 630 1HG2 ILE 79 2HG2 ILE 79 8.226 3.005 -5.705 631 2HG2 ILE 79 1HG2 ILE 79 6.914 4.192 -5.765 632 3HG2 ILE 79 3HG2 ILE 79 6.821 2.696 -6.704 633 1HD1 ILE 79 2HD1 ILE 79 6.783 2.903 -9.595 634 2HD1 ILE 79 1HD1 ILE 79 5.640 3.260 -8.320 635 3HD1 ILE 79 3HD1 ILE 79 5.532 4.134 -9.791 636 H SER 80 H SER 80 10.841 6.714 -8.153 637 HA SER 80 HA SER 80 13.338 5.434 -7.700 638 1HB SER 80 2HB SER 80 13.106 6.303 -10.590 639 2HB SER 80 1HB SER 80 13.970 5.018 -9.945 640 HG SER 80 HG SER 80 11.082 4.232 -10.041 641 HA PRO 81 HA PRO 81 13.381 9.853 -7.134 642 1HB PRO 81 2HB PRO 81 16.305 9.921 -6.842 643 2HB PRO 81 1HB PRO 81 15.024 10.141 -5.617 644 1HG PRO 81 2HG PRO 81 16.703 7.928 -5.682 645 2HG PRO 81 1HG PRO 81 15.094 7.932 -4.982 646 1HD PRO 81 1HD PRO 81 15.902 6.924 -7.671 647 2HD PRO 81 2HD PRO 81 14.739 6.248 -6.491 648 H ARG 82 H ARG 82 14.903 8.238 -9.648 649 HA ARG 82 HA ARG 82 15.687 10.582 -11.172 650 1HB ARG 82 2HB ARG 82 16.547 9.007 -12.801 651 2HB ARG 82 1HB ARG 82 17.128 8.718 -11.200 652 1HG ARG 82 2HG ARG 82 16.679 6.532 -11.880 653 2HG ARG 82 1HG ARG 82 15.204 6.917 -11.027 654 1HD ARG 82 2HD ARG 82 14.609 5.861 -13.141 655 2HD ARG 82 1HD ARG 82 14.194 7.593 -13.148 656 HE ARG 82 HE ARG 82 16.718 7.450 -14.267 657 1HH1 ARG 82 1HH2 ARG 82 13.505 6.167 -14.900 658 2HH1 ARG 82 2HH2 ARG 82 13.665 6.211 -16.618 659 1HH2 ARG 82 2HH1 ARG 82 16.910 7.522 -16.560 660 2HH2 ARG 82 1HH1 ARG 82 15.601 6.979 -17.558 661 H ILE 83 H ILE 83 12.851 8.515 -10.865 662 HA ILE 83 HA ILE 83 11.504 10.295 -12.741 663 HB ILE 83 HB ILE 83 10.115 8.536 -13.553 664 1HG1 ILE 83 1HG1 ILE 83 12.363 6.746 -12.514 665 2HG1 ILE 83 2HG1 ILE 83 10.701 6.802 -11.982 666 1HG2 ILE 83 2HG2 ILE 83 11.880 9.807 -14.789 667 2HG2 ILE 83 1HG2 ILE 83 13.010 8.519 -14.445 668 3HG2 ILE 83 3HG2 ILE 83 11.571 8.234 -15.447 669 1HD1 ILE 83 2HD1 ILE 83 11.545 6.289 -14.850 670 2HD1 ILE 83 1HD1 ILE 83 11.275 4.979 -13.760 671 3HD1 ILE 83 3HD1 ILE 83 9.937 6.119 -14.200 672 H THR 84 H THR 84 10.133 11.267 -12.038 673 HA THR 84 HA THR 84 8.432 10.502 -9.727 674 HB THR 84 HB THR 84 9.025 13.401 -10.442 675 HG1 THR 84 HG1 THR 84 11.355 11.861 -9.388 676 1HG2 THR 84 1HG2 THR 84 8.549 12.056 -7.774 677 2HG2 THR 84 3HG2 THR 84 8.914 13.766 -7.997 678 3HG2 THR 84 2HG2 THR 84 7.505 13.029 -8.732 679 H PHE 85 H PHE 85 6.471 11.646 -9.690 680 HA PHE 85 HA PHE 85 5.325 12.554 -12.249 681 1HB PHE 85 2HB PHE 85 4.198 10.088 -10.814 682 2HB PHE 85 1HB PHE 85 3.571 10.746 -12.305 683 HD1 PHE 85 HD1 PHE 85 4.886 10.502 -14.431 684 HD2 PHE 85 HD2 PHE 85 6.211 8.693 -10.789 685 HE1 PHE 85 HE1 PHE 85 6.479 9.112 -15.690 686 HE2 PHE 85 HE2 PHE 85 7.812 7.314 -12.050 687 HZ PHE 85 HZ PHE 85 7.978 7.543 -14.494 688 HA PRO 86 HA PRO 86 3.306 15.215 -9.277 689 1HB PRO 86 2HB PRO 86 0.951 15.870 -10.655 690 2HB PRO 86 1HB PRO 86 2.549 16.557 -10.942 691 1HG PRO 86 2HG PRO 86 1.194 14.351 -12.463 692 2HG PRO 86 1HG PRO 86 2.137 15.695 -13.118 693 1HD PRO 86 1HD PRO 86 3.222 13.212 -12.869 694 2HD PRO 86 2HD PRO 86 4.208 14.656 -12.578 695 H THR 87 H THR 87 1.821 12.259 -10.160 696 HA THR 87 HA THR 87 0.673 11.939 -7.580 697 HB THR 87 HB THR 87 -1.155 13.203 -8.423 698 HG1 THR 87 HG1 THR 87 -2.112 10.406 -8.141 699 1HG2 THR 87 3HG2 THR 87 -0.769 13.227 -10.656 700 2HG2 THR 87 2HG2 THR 87 -1.202 11.558 -10.938 701 3HG2 THR 87 1HG2 THR 87 -2.427 12.756 -10.402 702 H LEU 88 H LEU 88 -0.687 9.660 -7.739 703 HA LEU 88 HA LEU 88 1.008 7.860 -9.111 704 1HB LEU 88 2HB LEU 88 -1.832 7.280 -8.112 705 2HB LEU 88 1HB LEU 88 -0.919 6.161 -9.011 706 HG LEU 88 HG LEU 88 -0.963 5.738 -6.715 707 1HD1 LEU 88 1HD1 LEU 88 1.090 5.124 -8.138 708 2HD1 LEU 88 3HD1 LEU 88 1.941 6.407 -7.311 709 3HD1 LEU 88 2HD1 LEU 88 1.172 5.093 -6.375 710 1HD2 LEU 88 1HD2 LEU 88 -0.894 7.975 -5.798 711 2HD2 LEU 88 3HD2 LEU 88 0.262 6.742 -5.107 712 3HD2 LEU 88 2HD2 LEU 88 0.870 7.986 -6.185 713 H GLN 89 H GLN 89 -1.923 9.674 -10.314 714 HA GLN 89 HA GLN 89 -2.369 7.473 -12.266 715 1HB GLN 89 2HB GLN 89 -3.885 9.114 -13.584 716 2HB GLN 89 1HB GLN 89 -4.344 8.115 -12.275 717 1HG GLN 89 2HG GLN 89 -5.397 10.120 -11.851 718 2HG GLN 89 1HG GLN 89 -4.104 10.079 -10.704 719 1HE2 GLN 89 2HE2 GLN 89 -2.686 12.483 -13.613 720 2HE2 GLN 89 1HE2 GLN 89 -2.609 10.763 -13.608 721 H ALA 90 H ALA 90 -0.446 10.400 -12.494 722 HA ALA 90 HA ALA 90 0.014 9.908 -15.345 723 1HB ALA 90 2HB ALA 90 0.215 12.224 -14.317 724 2HB ALA 90 1HB ALA 90 1.581 11.680 -13.347 725 3HB ALA 90 3HB ALA 90 1.724 11.773 -15.101 726 H LEU 91 H LEU 91 1.086 8.488 -12.531 727 HA LEU 91 HA LEU 91 3.698 7.580 -13.478 728 1HB LEU 91 2HB LEU 91 3.756 8.101 -11.258 729 2HB LEU 91 1HB LEU 91 2.131 7.790 -10.938 730 HG LEU 91 HG LEU 91 4.134 5.556 -11.289 731 1HD1 LEU 91 3HD1 LEU 91 3.513 7.218 -8.812 732 2HD1 LEU 91 2HD1 LEU 91 4.287 5.641 -8.728 733 3HD1 LEU 91 1HD1 LEU 91 5.085 6.964 -9.564 734 1HD2 LEU 91 1HD2 LEU 91 1.389 5.808 -10.000 735 2HD2 LEU 91 3HD2 LEU 91 1.890 4.677 -11.251 736 3HD2 LEU 91 2HD2 LEU 91 2.502 4.422 -9.640 737 H VAL 92 H VAL 92 0.409 6.398 -12.834 738 HA VAL 92 HA VAL 92 0.870 3.732 -13.612 739 HB VAL 92 HB VAL 92 -1.864 5.066 -13.559 740 1HG1 VAL 92 2HG1 VAL 92 -1.563 2.487 -13.847 741 2HG1 VAL 92 1HG1 VAL 92 -1.112 2.549 -12.115 742 3HG1 VAL 92 3HG1 VAL 92 -2.692 3.107 -12.640 743 1HG2 VAL 92 1HG2 VAL 92 -0.152 5.030 -11.147 744 2HG2 VAL 92 3HG2 VAL 92 -1.742 5.776 -11.418 745 3HG2 VAL 92 2HG2 VAL 92 -1.604 4.163 -10.906 746 H GLN 93 H GLN 93 0.772 6.556 -15.426 747 HA GLN 93 HA GLN 93 -0.763 5.413 -17.684 748 1HB GLN 93 2HB GLN 93 -1.159 7.492 -18.502 749 2HB GLN 93 1HB GLN 93 -1.054 7.884 -16.809 750 1HG GLN 93 2HG GLN 93 1.264 8.750 -17.132 751 2HG GLN 93 1HG GLN 93 1.185 8.352 -18.837 752 1HE2 GLN 93 2HE2 GLN 93 -1.266 10.825 -19.665 753 2HE2 GLN 93 1HE2 GLN 93 -0.909 9.159 -19.946 754 H HIS 94 H HIS 94 2.308 7.020 -16.935 755 HA HIS 94 HA HIS 94 3.625 6.443 -19.355 756 1HB HIS 94 2HB HIS 94 4.405 8.215 -17.811 757 2HB HIS 94 1HB HIS 94 4.703 7.045 -16.539 758 HD1 HIS 94 HD1 HIS 94 7.131 6.513 -16.383 759 HD2 HIS 94 HD2 HIS 94 5.955 7.255 -20.342 760 HE1 HIS 94 HE1 HIS 94 9.197 6.262 -17.840 761 H TYR 95 H TYR 95 3.438 4.755 -16.226 762 HA TYR 95 HA TYR 95 5.303 2.717 -17.092 763 1HB TYR 95 2HB TYR 95 3.413 2.889 -14.726 764 2HB TYR 95 1HB TYR 95 4.424 1.500 -14.998 765 HD1 TYR 95 HD1 TYR 95 7.011 2.840 -15.930 766 HD2 TYR 95 HD2 TYR 95 4.300 3.817 -12.770 767 HE1 TYR 95 HE1 TYR 95 8.803 3.833 -14.771 768 HE2 TYR 95 HE2 TYR 95 6.061 4.862 -11.557 769 HH TYR 95 HH TYR 95 9.080 4.024 -11.704 770 H SER 96 H SER 96 1.831 3.120 -17.533 771 HA SER 96 HA SER 96 1.404 0.336 -17.975 772 1HB SER 96 2HB SER 96 0.113 2.615 -19.673 773 2HB SER 96 1HB SER 96 -0.448 1.022 -19.617 774 HG SER 96 HG SER 96 -0.778 2.230 -16.906 775 H LYS 97 H LYS 97 2.736 2.722 -20.197 776 HA LYS 97 HA LYS 97 3.014 0.500 -22.190 777 1HB LYS 97 2HB LYS 97 3.124 3.541 -22.395 778 2HB LYS 97 1HB LYS 97 3.805 2.563 -23.655 779 1HG LYS 97 2HG LYS 97 1.609 3.103 -24.341 780 2HG LYS 97 1HG LYS 97 1.610 1.399 -23.979 781 1HD LYS 97 2HD LYS 97 0.472 1.821 -21.831 782 2HD LYS 97 1HD LYS 97 0.604 3.552 -22.053 783 1HE LYS 97 1HE LYS 97 -0.821 3.327 -24.163 784 2HE LYS 97 2HE LYS 97 -1.020 1.623 -23.795 785 1HZ LYS 97 1HZ LYS 97 -2.076 2.243 -21.727 786 2HZ LYS 97 3HZ LYS 97 -1.909 3.885 -22.129 787 3HZ LYS 97 2HZ LYS 97 -2.874 2.866 -23.085 788 H LYS 98 H LYS 98 5.044 2.459 -20.071 789 HA LYS 98 HA LYS 98 7.421 0.996 -21.086 790 1HB LYS 98 2HB LYS 98 6.834 3.306 -22.170 791 2HB LYS 98 1HB LYS 98 7.379 4.035 -20.685 792 1HG LYS 98 2HG LYS 98 9.055 1.977 -22.131 793 2HG LYS 98 1HG LYS 98 8.988 3.615 -22.731 794 1HD LYS 98 2HD LYS 98 9.916 4.521 -20.688 795 2HD LYS 98 1HD LYS 98 9.705 2.998 -19.855 796 1HE LYS 98 1HE LYS 98 11.428 1.908 -21.024 797 2HE LYS 98 2HE LYS 98 11.449 3.088 -22.325 798 1HZ LYS 98 2HZ LYS 98 12.330 3.649 -19.568 799 2HZ LYS 98 1HZ LYS 98 13.327 3.332 -20.906 800 3HZ LYS 98 3HZ LYS 98 12.347 4.716 -20.871 801 H GLY 99 H GLY 99 7.972 -0.076 -19.384 802 1HA GLY 99 2HA GLY 99 7.459 0.413 -16.697 803 2HA GLY 99 1HA GLY 99 8.750 -0.654 -17.340 804 H ASP 100 H ASP 100 10.303 1.315 -18.559 805 HA ASP 100 HA ASP 100 12.179 2.460 -18.147 806 1HB ASP 100 2HB ASP 100 10.189 4.156 -18.200 807 2HB ASP 100 1HB ASP 100 10.398 4.328 -16.489 808 H GLY 101 H GLY 101 11.803 0.426 -16.211 809 1HA GLY 101 2HA GLY 101 13.894 0.345 -14.616 810 2HA GLY 101 1HA GLY 101 12.993 1.620 -13.712 811 H LEU 102 H LEU 102 10.435 0.492 -14.202 812 HA LEU 102 HA LEU 102 10.039 -0.994 -11.888 813 1HB LEU 102 2HB LEU 102 8.424 -0.699 -14.463 814 2HB LEU 102 1HB LEU 102 7.837 -1.720 -13.236 815 HG LEU 102 HG LEU 102 8.151 1.256 -13.205 816 1HD1 LEU 102 3HD1 LEU 102 6.002 0.289 -13.941 817 2HD1 LEU 102 2HD1 LEU 102 5.832 -0.571 -12.413 818 3HD1 LEU 102 1HD1 LEU 102 5.780 1.171 -12.421 819 1HD2 LEU 102 2HD2 LEU 102 7.814 -0.425 -10.690 820 2HD2 LEU 102 1HD2 LEU 102 9.119 0.723 -10.977 821 3HD2 LEU 102 3HD2 LEU 102 7.474 1.272 -10.720 822 H CYS 103 H CYS 103 10.928 -2.138 -15.030 823 HA CYS 103 HA CYS 103 11.905 -4.017 -15.704 824 1HB CYS 103 2HB CYS 103 12.669 -5.738 -14.381 825 2HB CYS 103 1HB CYS 103 12.576 -4.439 -13.232 826 HG CYS 103 HG CYS 103 10.093 -5.469 -12.075 827 H GLN 104 H GLN 104 8.902 -4.332 -14.004 828 HA GLN 104 HA GLN 104 7.589 -5.653 -16.243 829 1HB GLN 104 2HB GLN 104 7.184 -6.319 -13.252 830 2HB GLN 104 1HB GLN 104 6.203 -6.955 -14.535 831 1HG GLN 104 2HG GLN 104 9.160 -7.583 -14.061 832 2HG GLN 104 1HG GLN 104 7.813 -8.668 -13.808 833 1HE2 GLN 104 2HE2 GLN 104 9.701 -9.005 -17.151 834 2HE2 GLN 104 1HE2 GLN 104 10.287 -8.608 -15.575 835 H LYS 105 H LYS 105 6.817 -4.001 -16.879 836 HA LYS 105 HA LYS 105 6.017 -1.725 -15.499 837 1HB LYS 105 2HB LYS 105 5.554 -0.890 -17.615 838 2HB LYS 105 1HB LYS 105 6.571 -2.242 -17.988 839 1HG LYS 105 2HG LYS 105 4.535 -3.626 -18.592 840 2HG LYS 105 1HG LYS 105 3.519 -2.289 -18.178 841 1HD LYS 105 2HD LYS 105 3.625 -2.099 -20.451 842 2HD LYS 105 1HD LYS 105 4.781 -0.886 -19.923 843 1HE LYS 105 1HE LYS 105 6.633 -2.462 -20.369 844 2HE LYS 105 2HE LYS 105 5.437 -3.728 -20.765 845 1HZ LYS 105 1HZ LYS 105 5.824 -1.194 -22.244 846 2HZ LYS 105 3HZ LYS 105 6.405 -2.719 -22.712 847 3HZ LYS 105 2HZ LYS 105 4.736 -2.430 -22.629 848 H LEU 106 H LEU 106 3.646 -0.971 -16.323 849 HA LEU 106 HA LEU 106 1.784 -2.531 -14.612 850 1HB LEU 106 2HB LEU 106 1.980 0.386 -15.512 851 2HB LEU 106 1HB LEU 106 0.692 -0.195 -14.547 852 HG LEU 106 HG LEU 106 3.639 -0.191 -13.831 853 1HD1 LEU 106 3HD1 LEU 106 1.934 1.894 -13.529 854 2HD1 LEU 106 1HD1 LEU 106 1.826 1.155 -11.932 855 3HD1 LEU 106 2HD1 LEU 106 3.381 1.626 -12.558 856 1HD2 LEU 106 2HD2 LEU 106 1.402 -1.512 -12.202 857 2HD2 LEU 106 1HD2 LEU 106 2.895 -2.226 -12.797 858 3HD2 LEU 106 3HD2 LEU 106 2.941 -1.009 -11.531 859 H THR 107 H THR 107 -0.451 -2.807 -15.185 860 HA THR 107 HA THR 107 -1.003 -2.352 -18.046 861 HB THR 107 HB THR 107 -1.453 -4.420 -18.822 862 HG1 THR 107 HG1 THR 107 -1.684 -5.682 -16.161 863 1HG2 THR 107 1HG2 THR 107 1.235 -4.615 -17.378 864 2HG2 THR 107 3HG2 THR 107 0.674 -5.719 -18.615 865 3HG2 THR 107 2HG2 THR 107 0.856 -4.019 -18.950 866 H LEU 108 H LEU 108 -2.799 -4.618 -15.915 867 HA LEU 108 HA LEU 108 -5.079 -2.682 -16.240 868 1HB LEU 108 2HB LEU 108 -5.246 -5.696 -16.516 869 2HB LEU 108 1HB LEU 108 -6.561 -4.585 -16.721 870 HG LEU 108 HG LEU 108 -4.094 -4.657 -18.486 871 1HD1 LEU 108 3HD1 LEU 108 -5.370 -6.742 -18.697 872 2HD1 LEU 108 2HD1 LEU 108 -6.845 -5.835 -19.015 873 3HD1 LEU 108 1HD1 LEU 108 -5.505 -5.776 -20.161 874 1HD2 LEU 108 1HD2 LEU 108 -6.764 -3.203 -18.851 875 2HD2 LEU 108 3HD2 LEU 108 -5.224 -2.424 -18.503 876 3HD2 LEU 108 2HD2 LEU 108 -5.462 -3.248 -20.036 877 HA PRO 109 HA PRO 109 -5.408 -3.235 -11.775 878 1HB PRO 109 2HB PRO 109 -8.304 -2.655 -12.077 879 2HB PRO 109 1HB PRO 109 -7.069 -1.836 -11.108 880 1HG PRO 109 2HG PRO 109 -8.060 -0.754 -13.466 881 2HG PRO 109 1HG PRO 109 -6.443 -0.439 -12.868 882 1HD PRO 109 1HD PRO 109 -7.189 -2.225 -15.140 883 2HD PRO 109 2HD PRO 109 -5.702 -1.303 -14.828 884 H CYS 110 H CYS 110 -5.867 -4.701 -10.374 885 HA CYS 110 HA CYS 110 -6.451 -7.313 -11.168 886 1HB CYS 110 2HB CYS 110 -5.119 -6.705 -9.199 887 2HB CYS 110 1HB CYS 110 -6.490 -6.004 -8.395 888 HG CYS 110 HG CYS 110 -5.568 -8.658 -7.411 889 H VAL 111 H VAL 111 -8.184 -8.774 -10.187 890 HA VAL 111 HA VAL 111 -10.816 -7.489 -10.671 891 HB VAL 111 HB VAL 111 -10.047 -9.602 -11.865 892 1HG1 VAL 111 1HG1 VAL 111 -9.166 -10.897 -9.925 893 2HG1 VAL 111 3HG1 VAL 111 -10.789 -10.990 -9.247 894 3HG1 VAL 111 2HG1 VAL 111 -10.444 -11.762 -10.779 895 1HG2 VAL 111 1HG2 VAL 111 -12.413 -8.783 -11.867 896 2HG2 VAL 111 3HG2 VAL 111 -12.296 -10.535 -11.974 897 3HG2 VAL 111 2HG2 VAL 111 -12.748 -9.784 -10.452 898 H ASN 112 H ASN 112 -12.602 -8.057 -9.262 899 HA ASN 112 HA ASN 112 -11.746 -7.812 -6.470 900 1HB ASN 112 2HB ASN 112 -13.507 -6.335 -7.599 901 2HB ASN 112 1HB ASN 112 -14.602 -7.680 -7.618 902 1HD2 ASN 112 2HD2 ASN 112 -13.901 -7.268 -3.709 903 2HD2 ASN 112 1HD2 ASN 112 -12.922 -8.200 -4.770 904 H LEU 113 H LEU 113 -14.293 -9.641 -8.110 905 HA LEU 113 HA LEU 113 -15.160 -11.642 -7.953 906 1HB LEU 113 2HB LEU 113 -12.847 -12.510 -8.324 907 2HB LEU 113 1HB LEU 113 -12.562 -12.530 -6.608 908 HG LEU 113 HG LEU 113 -14.455 -14.172 -6.331 909 1HD1 LEU 113 3HD1 LEU 113 -14.446 -14.240 -9.384 910 2HD1 LEU 113 2HD1 LEU 113 -15.274 -15.400 -8.349 911 3HD1 LEU 113 1HD1 LEU 113 -15.784 -13.723 -8.359 912 1HD2 LEU 113 2HD2 LEU 113 -12.042 -14.905 -6.522 913 2HD2 LEU 113 1HD2 LEU 113 -13.203 -16.117 -7.053 914 3HD2 LEU 113 3HD2 LEU 113 -12.313 -15.187 -8.243 915 H ALA 114 HN ALA 114 -16.785 -12.207 -6.819 916 HA ALA 114 HA ALA 114 -18.264 -12.444 -5.157 917 1HB ALA 114 2HB ALA 114 -16.753 -14.359 -4.621 918 2HB ALA 114 1HB ALA 114 -15.826 -13.348 -3.520 919 3HB ALA 114 3HB ALA 114 -17.507 -13.736 -3.160 No H/Q in entry = 919 Start of MODEL 5 1 1H GLY 1 3H GLY 1 -11.628 4.603 -21.813 2 2H GLY 1 2H GLY 1 -11.434 3.913 -23.356 3 3H GLY 1 1H GLY 1 -11.173 5.576 -23.125 4 1HA GLY 1 2HA GLY 1 -13.253 5.202 -24.192 5 2HA GLY 1 1HA GLY 1 -13.729 4.151 -22.805 6 H SER 2 H SER 2 -15.520 5.826 -23.138 7 HA SER 2 HA SER 2 -15.143 8.470 -22.086 8 1HB SER 2 2HB SER 2 -17.518 8.699 -22.290 9 2HB SER 2 1HB SER 2 -17.011 7.760 -23.599 10 HG SER 2 HG SER 2 -18.014 5.910 -21.466 11 H VAL 3 H VAL 3 -15.818 5.329 -20.774 12 HA VAL 3 HA VAL 3 -16.998 5.927 -18.324 13 HB VAL 3 HB VAL 3 -15.432 3.730 -17.701 14 1HG1 VAL 3 1HG1 VAL 3 -17.944 4.067 -17.611 15 2HG1 VAL 3 3HG1 VAL 3 -18.015 3.422 -19.241 16 3HG1 VAL 3 2HG1 VAL 3 -17.369 2.432 -17.937 17 1HG2 VAL 3 2HG2 VAL 3 -14.373 3.747 -19.995 18 2HG2 VAL 3 1HG2 VAL 3 -15.210 2.257 -19.582 19 3HG2 VAL 3 3HG2 VAL 3 -15.956 3.390 -20.689 20 H ALA 4 H ALA 4 -16.465 6.356 -16.462 21 HA ALA 4 HA ALA 4 -14.625 6.385 -14.763 22 1HB ALA 4 1HB ALA 4 -13.510 8.377 -16.781 23 2HB ALA 4 3HB ALA 4 -13.215 8.625 -15.067 24 3HB ALA 4 2HB ALA 4 -12.690 7.147 -15.855 25 HA PRO 5 HA PRO 5 -17.280 10.130 -13.745 26 1HB PRO 5 2HB PRO 5 -17.984 12.063 -15.578 27 2HB PRO 5 1HB PRO 5 -16.377 12.019 -14.863 28 1HG PRO 5 2HG PRO 5 -17.183 10.928 -17.558 29 2HG PRO 5 1HG PRO 5 -15.781 11.942 -17.183 30 1HD PRO 5 1HD PRO 5 -15.538 9.215 -17.392 31 2HD PRO 5 2HD PRO 5 -14.583 10.182 -16.242 32 H VAL 6 H VAL 6 -17.842 8.448 -16.726 33 HA VAL 6 HA VAL 6 -20.709 8.897 -16.779 34 HB VAL 6 HB VAL 6 -19.051 6.878 -18.363 35 1HG1 VAL 6 2HG1 VAL 6 -21.834 8.016 -18.887 36 2HG1 VAL 6 1HG1 VAL 6 -20.943 6.963 -19.980 37 3HG1 VAL 6 3HG1 VAL 6 -21.477 6.358 -18.420 38 1HG2 VAL 6 3HG2 VAL 6 -19.776 9.785 -18.950 39 2HG2 VAL 6 2HG2 VAL 6 -18.160 9.090 -18.848 40 3HG2 VAL 6 1HG2 VAL 6 -19.216 8.682 -20.186 41 H GLU 7 H GLU 7 -19.051 5.738 -16.787 42 HA GLU 7 HA GLU 7 -20.822 4.885 -14.549 43 1HB GLU 7 2HB GLU 7 -19.433 3.039 -16.576 44 2HB GLU 7 1HB GLU 7 -20.522 2.568 -15.316 45 1HG GLU 7 2HG GLU 7 -22.335 4.010 -16.443 46 2HG GLU 7 1HG GLU 7 -21.242 4.180 -17.807 47 H THR 8 H THR 8 -19.991 3.381 -13.075 48 HA THR 8 HA THR 8 -18.566 2.849 -11.447 49 HB THR 8 HB THR 8 -16.403 1.935 -12.042 50 HG1 THR 8 HG1 THR 8 -16.425 3.426 -14.630 51 1HG2 THR 8 3HG2 THR 8 -18.605 1.199 -14.062 52 2HG2 THR 8 2HG2 THR 8 -17.123 0.287 -13.763 53 3HG2 THR 8 1HG2 THR 8 -18.266 0.580 -12.476 54 H LEU 9 H LEU 9 -15.506 3.681 -11.750 55 HA LEU 9 HA LEU 9 -15.533 6.497 -11.448 56 1HB LEU 9 2HB LEU 9 -16.733 5.841 -9.285 57 2HB LEU 9 1HB LEU 9 -15.376 4.858 -8.844 58 HG LEU 9 HG LEU 9 -13.952 6.926 -8.708 59 1HD1 LEU 9 1HD1 LEU 9 -16.557 8.425 -9.256 60 2HD1 LEU 9 3HD1 LEU 9 -15.040 9.160 -8.749 61 3HD1 LEU 9 2HD1 LEU 9 -15.157 8.391 -10.321 62 1HD2 LEU 9 1HD2 LEU 9 -15.089 6.028 -6.694 63 2HD2 LEU 9 3HD2 LEU 9 -14.956 7.780 -6.626 64 3HD2 LEU 9 2HD2 LEU 9 -16.499 7.032 -7.032 65 H GLU 10 H GLU 10 -13.481 7.350 -10.899 66 HA GLU 10 HA GLU 10 -11.289 5.748 -11.908 67 1HB GLU 10 2HB GLU 10 -11.402 8.603 -10.796 68 2HB GLU 10 1HB GLU 10 -9.999 7.895 -11.561 69 1HG GLU 10 2HG GLU 10 -11.275 7.615 -13.694 70 2HG GLU 10 1HG GLU 10 -12.709 8.268 -12.926 71 H VAL 11 H VAL 11 -11.212 4.167 -10.354 72 HA VAL 11 HA VAL 11 -9.417 4.749 -8.145 73 HB VAL 11 HB VAL 11 -11.042 3.173 -6.648 74 1HG1 VAL 11 1HG1 VAL 11 -10.113 5.352 -5.953 75 2HG1 VAL 11 3HG1 VAL 11 -11.438 6.177 -6.773 76 3HG1 VAL 11 2HG1 VAL 11 -11.769 5.117 -5.411 77 1HG2 VAL 11 2HG2 VAL 11 -12.935 3.131 -8.397 78 2HG2 VAL 11 1HG2 VAL 11 -13.409 3.774 -6.837 79 3HG2 VAL 11 3HG2 VAL 11 -13.091 4.863 -8.172 80 H GLU 12 H GLU 12 -11.588 2.072 -8.954 81 HA GLU 12 HA GLU 12 -11.264 -0.070 -9.516 82 1HB GLU 12 2HB GLU 12 -8.600 0.804 -10.747 83 2HB GLU 12 1HB GLU 12 -9.575 -0.567 -11.218 84 1HG GLU 12 2HG GLU 12 -11.411 1.026 -11.939 85 2HG GLU 12 1HG GLU 12 -10.359 2.378 -11.586 86 H LYS 13 H LYS 13 -8.847 -1.524 -9.803 87 HA LYS 13 HA LYS 13 -8.273 -2.025 -6.948 88 1HB LYS 13 2HB LYS 13 -7.931 -3.628 -9.479 89 2HB LYS 13 1HB LYS 13 -7.004 -4.037 -8.059 90 1HG LYS 13 2HG LYS 13 -9.993 -3.621 -7.811 91 2HG LYS 13 1HG LYS 13 -9.376 -5.138 -8.409 92 1HD LYS 13 2HD LYS 13 -8.035 -5.513 -6.396 93 2HD LYS 13 1HD LYS 13 -8.442 -3.947 -5.762 94 1HE LYS 13 1HE LYS 13 -10.445 -6.220 -6.222 95 2HE LYS 13 2HE LYS 13 -9.756 -5.756 -4.674 96 1HZ LYS 13 3HZ LYS 13 -11.447 -4.040 -6.361 97 2HZ LYS 13 2HZ LYS 13 -11.948 -4.915 -5.006 98 3HZ LYS 13 1HZ LYS 13 -10.812 -3.652 -4.841 99 H TRP 14 H TRP 14 -6.887 -0.318 -9.672 100 HA TRP 14 HA TRP 14 -4.224 -0.803 -8.712 101 1HB TRP 14 2HB TRP 14 -3.253 0.450 -10.275 102 2HB TRP 14 1HB TRP 14 -4.642 -0.132 -11.109 103 HD1 TRP 14 HD1 TRP 14 -5.957 1.671 -12.462 104 HE1 TRP 14 HE1 TRP 14 -5.776 4.198 -12.701 105 HE3 TRP 14 HE3 TRP 14 -2.872 2.650 -8.508 106 HZ2 TRP 14 HZ2 TRP 14 -4.334 6.387 -11.342 107 HZ3 TRP 14 HZ3 TRP 14 -2.227 4.966 -8.012 108 HH2 TRP 14 HH2 TRP 14 -3.026 6.818 -9.451 109 H PHE 15 H PHE 15 -6.571 1.920 -8.333 110 HA PHE 15 HA PHE 15 -4.765 3.033 -6.309 111 1HB PHE 15 2HB PHE 15 -5.991 4.476 -8.019 112 2HB PHE 15 1HB PHE 15 -7.439 4.242 -7.075 113 HD1 PHE 15 HD1 PHE 15 -3.812 5.016 -6.401 114 HD2 PHE 15 HD2 PHE 15 -7.880 6.006 -5.568 115 HE1 PHE 15 HE1 PHE 15 -3.054 6.879 -4.988 116 HE2 PHE 15 HE2 PHE 15 -7.122 7.866 -4.136 117 HZ PHE 15 HZ PHE 15 -4.703 8.306 -3.849 118 H PHE 16 H PHE 16 -4.770 1.503 -4.801 119 HA PHE 16 HA PHE 16 -7.253 1.114 -3.200 120 1HB PHE 16 2HB PHE 16 -5.106 -0.727 -4.101 121 2HB PHE 16 1HB PHE 16 -5.117 -0.752 -2.363 122 HD1 PHE 16 HD2 PHE 16 -8.061 -0.313 -4.698 123 HD2 PHE 16 HD1 PHE 16 -5.994 -2.808 -1.908 124 HE1 PHE 16 HE2 PHE 16 -10.026 -1.755 -4.566 125 HE2 PHE 16 HE1 PHE 16 -8.016 -4.273 -1.776 126 HZ PHE 16 HZ PHE 16 -10.009 -3.739 -3.068 127 H ARG 17 H ARG 17 -6.502 0.453 -0.873 128 HA ARG 17 HA ARG 17 -4.881 2.733 0.165 129 1HB ARG 17 2HB ARG 17 -7.460 1.478 1.305 130 2HB ARG 17 1HB ARG 17 -6.452 2.476 2.277 131 1HG ARG 17 2HG ARG 17 -8.236 3.306 0.049 132 2HG ARG 17 1HG ARG 17 -7.972 3.945 1.669 133 1HD ARG 17 2HD ARG 17 -5.780 4.922 0.939 134 2HD ARG 17 1HD ARG 17 -6.039 4.359 -0.697 135 HE ARG 17 HE ARG 17 -7.261 6.611 0.613 136 1HH1 ARG 17 1HH2 ARG 17 -7.628 4.231 -1.970 137 2HH1 ARG 17 2HH2 ARG 17 -8.630 5.243 -2.953 138 1HH2 ARG 17 2HH1 ARG 17 -8.602 7.918 -0.708 139 2HH2 ARG 17 1HH1 ARG 17 -9.191 7.327 -2.226 140 H THR 18 H THR 18 -4.716 2.163 2.624 141 HA THR 18 HA THR 18 -2.591 0.422 2.840 142 HB THR 18 HB THR 18 -2.496 2.178 4.315 143 HG1 THR 18 HG1 THR 18 -2.936 -0.216 6.041 144 1HG2 THR 18 2HG2 THR 18 -4.903 2.830 4.275 145 2HG2 THR 18 1HG2 THR 18 -5.294 1.762 5.547 146 3HG2 THR 18 3HG2 THR 18 -4.072 3.046 5.799 147 H ILE 19 H ILE 19 -3.732 -1.299 1.939 148 HA ILE 19 HA ILE 19 -5.222 -3.077 3.779 149 HB ILE 19 HB ILE 19 -5.568 -2.832 1.208 150 1HG1 ILE 19 1HG1 ILE 19 -5.351 -5.536 2.400 151 2HG1 ILE 19 2HG1 ILE 19 -6.746 -4.518 2.337 152 1HG2 ILE 19 1HG2 ILE 19 -3.046 -3.067 0.679 153 2HG2 ILE 19 3HG2 ILE 19 -3.364 -4.804 0.814 154 3HG2 ILE 19 2HG2 ILE 19 -4.228 -3.801 -0.389 155 1HD1 ILE 19 1HD1 ILE 19 -6.659 -4.566 -0.194 156 2HD1 ILE 19 3HD1 ILE 19 -5.380 -5.756 -0.125 157 3HD1 ILE 19 2HD1 ILE 19 -6.983 -6.158 0.504 158 H SER 20 H SER 20 -4.135 -5.259 4.154 159 HA SER 20 HA SER 20 -1.444 -4.546 5.050 160 1HB SER 20 2HB SER 20 -2.620 -6.342 6.315 161 2HB SER 20 1HB SER 20 -2.825 -7.262 4.916 162 HG SER 20 HG SER 20 0.098 -7.236 5.486 163 H ARG 21 H ARG 21 0.479 -5.329 4.298 164 HA ARG 21 HA ARG 21 1.033 -5.198 1.644 165 1HB ARG 21 2HB ARG 21 2.696 -5.364 3.690 166 2HB ARG 21 1HB ARG 21 2.718 -7.072 3.379 167 1HG ARG 21 2HG ARG 21 4.513 -6.431 2.058 168 2HG ARG 21 1HG ARG 21 3.236 -6.384 0.878 169 1HD ARG 21 2HD ARG 21 4.420 -4.284 0.568 170 2HD ARG 21 1HD ARG 21 2.987 -3.840 1.471 171 HE ARG 21 HE ARG 21 4.270 -3.419 3.345 172 1HH1 ARG 21 1HH2 ARG 21 6.220 -5.011 0.879 173 2HH1 ARG 21 2HH2 ARG 21 7.726 -4.722 1.691 174 1HH2 ARG 21 2HH1 ARG 21 6.267 -3.063 4.393 175 2HH2 ARG 21 1HH1 ARG 21 7.745 -3.619 3.686 176 H LYS 22 H LYS 22 0.539 -8.263 3.454 177 HA LYS 22 HA LYS 22 0.820 -9.860 1.093 178 1HB LYS 22 2HB LYS 22 -0.037 -11.727 2.321 179 2HB LYS 22 1HB LYS 22 1.236 -10.922 3.191 180 1HG LYS 22 2HG LYS 22 -1.050 -11.918 4.212 181 2HG LYS 22 1HG LYS 22 -0.135 -10.635 5.009 182 1HD LYS 22 2HD LYS 22 -1.780 -9.103 3.853 183 2HD LYS 22 1HD LYS 22 -2.636 -10.541 3.347 184 1HE LYS 22 1HE LYS 22 -2.014 -10.119 6.302 185 2HE LYS 22 2HE LYS 22 -3.342 -9.232 5.579 186 1HZ LYS 22 3HZ LYS 22 -3.095 -12.158 5.554 187 2HZ LYS 22 2HZ LYS 22 -4.094 -11.214 6.554 188 3HZ LYS 22 1HZ LYS 22 -4.343 -11.218 4.875 189 H ASP 23 H ASP 23 -1.756 -7.996 2.187 190 HA ASP 23 HA ASP 23 -3.744 -9.775 1.258 191 1HB ASP 23 2HB ASP 23 -3.853 -6.845 2.145 192 2HB ASP 23 1HB ASP 23 -5.256 -7.488 1.387 193 H ALA 24 H ALA 24 -2.394 -6.830 0.289 194 HA ALA 24 HA ALA 24 -3.693 -6.371 -2.238 195 1HB ALA 24 3HB ALA 24 -0.923 -5.540 -1.193 196 2HB ALA 24 2HB ALA 24 -1.655 -4.899 -2.682 197 3HB ALA 24 1HB ALA 24 -2.423 -4.620 -1.146 198 H GLU 25 H GLU 25 -1.046 -8.354 -1.223 199 HA GLU 25 HA GLU 25 -0.070 -8.978 -3.866 200 1HB GLU 25 2HB GLU 25 0.373 -10.260 -1.112 201 2HB GLU 25 1HB GLU 25 1.132 -10.873 -2.548 202 1HG GLU 25 2HG GLU 25 2.308 -8.715 -2.904 203 2HG GLU 25 1HG GLU 25 1.562 -8.015 -1.520 204 H ARG 26 H ARG 26 -2.408 -10.278 -1.530 205 HA ARG 26 HA ARG 26 -2.644 -12.860 -2.677 206 1HB ARG 26 2HB ARG 26 -4.341 -13.219 -1.096 207 2HB ARG 26 1HB ARG 26 -3.533 -11.852 -0.400 208 1HG ARG 26 2HG ARG 26 -5.555 -10.550 -1.823 209 2HG ARG 26 1HG ARG 26 -6.279 -12.065 -1.535 210 1HD ARG 26 2HD ARG 26 -5.223 -11.323 1.028 211 2HD ARG 26 1HD ARG 26 -5.843 -9.834 0.332 212 HE ARG 26 HE ARG 26 -7.948 -10.629 0.689 213 1HH1 ARG 26 1HH2 ARG 26 -5.732 -13.349 0.470 214 2HH1 ARG 26 2HH2 ARG 26 -6.908 -14.536 0.932 215 1HH2 ARG 26 2HH1 ARG 26 -9.481 -12.187 1.315 216 2HH2 ARG 26 1HH1 ARG 26 -9.060 -13.864 1.415 217 H GLN 27 H GLN 27 -4.082 -9.820 -3.263 218 HA GLN 27 HA GLN 27 -6.147 -10.669 -5.060 219 1HB GLN 27 2HB GLN 27 -4.819 -7.907 -4.800 220 2HB GLN 27 1HB GLN 27 -6.311 -8.205 -5.651 221 1HG GLN 27 2HG GLN 27 -7.304 -9.084 -3.453 222 2HG GLN 27 1HG GLN 27 -5.853 -8.523 -2.652 223 1HE2 GLN 27 2HE2 GLN 27 -8.689 -6.041 -2.503 224 2HE2 GLN 27 1HE2 GLN 27 -8.559 -7.746 -2.224 225 H LEU 28 H LEU 28 -2.794 -9.379 -5.682 226 HA LEU 28 HA LEU 28 -3.270 -9.465 -8.489 227 1HB LEU 28 2HB LEU 28 -0.681 -9.317 -6.898 228 2HB LEU 28 1HB LEU 28 -0.805 -8.941 -8.606 229 HG LEU 28 HG LEU 28 -2.537 -7.495 -6.581 230 1HD1 LEU 28 1HD1 LEU 28 0.242 -6.766 -7.570 231 2HD1 LEU 28 3HD1 LEU 28 -0.831 -5.719 -6.630 232 3HD1 LEU 28 2HD1 LEU 28 -0.185 -7.222 -5.925 233 1HD2 LEU 28 3HD2 LEU 28 -2.994 -7.507 -9.204 234 2HD2 LEU 28 2HD2 LEU 28 -2.903 -5.953 -8.419 235 3HD2 LEU 28 1HD2 LEU 28 -1.504 -6.584 -9.227 236 H LEU 29 H LEU 29 -1.628 -11.639 -6.154 237 HA LEU 29 HA LEU 29 -0.514 -13.448 -7.916 238 1HB LEU 29 2HB LEU 29 -1.516 -13.656 -5.067 239 2HB LEU 29 1HB LEU 29 -0.696 -14.987 -5.830 240 HG LEU 29 HG LEU 29 0.551 -12.199 -5.724 241 1HD1 LEU 29 2HD1 LEU 29 0.054 -12.982 -3.437 242 2HD1 LEU 29 1HD1 LEU 29 0.935 -14.475 -3.736 243 3HD1 LEU 29 3HD1 LEU 29 1.789 -12.929 -3.737 244 1HD2 LEU 29 3HD2 LEU 29 1.658 -15.019 -6.276 245 2HD2 LEU 29 2HD2 LEU 29 1.616 -13.677 -7.404 246 3HD2 LEU 29 1HD2 LEU 29 2.659 -13.606 -5.997 247 H ALA 30 H ALA 30 -3.886 -12.961 -7.133 248 HA ALA 30 HA ALA 30 -4.882 -15.531 -7.490 249 1HB ALA 30 1HB ALA 30 -6.266 -13.504 -6.882 250 2HB ALA 30 3HB ALA 30 -6.095 -12.892 -8.525 251 3HB ALA 30 2HB ALA 30 -6.991 -14.379 -8.228 252 HA PRO 31 HA PRO 31 -3.833 -16.565 -11.681 253 1HB PRO 31 2HB PRO 31 -5.798 -18.445 -12.258 254 2HB PRO 31 1HB PRO 31 -4.435 -18.721 -11.185 255 1HG PRO 31 2HG PRO 31 -7.219 -17.917 -10.391 256 2HG PRO 31 1HG PRO 31 -6.207 -19.179 -9.656 257 1HD PRO 31 1HD PRO 31 -6.455 -16.730 -8.535 258 2HD PRO 31 2HD PRO 31 -4.897 -17.596 -8.499 259 H MET 32 H MET 32 -6.514 -14.658 -10.900 260 HA MET 32 HA MET 32 -7.962 -14.537 -13.252 261 1HB MET 32 2HB MET 32 -7.419 -12.683 -10.895 262 2HB MET 32 1HB MET 32 -8.707 -12.467 -12.019 263 1HG MET 32 2HG MET 32 -9.567 -14.815 -11.293 264 2HG MET 32 1HG MET 32 -8.423 -14.696 -9.977 265 1HE MET 32 3HE MET 32 -8.237 -11.955 -8.990 266 2HE MET 32 2HE MET 32 -9.640 -11.541 -8.019 267 3HE MET 32 1HE MET 32 -8.823 -13.102 -7.780 268 H ASN 33 H ASN 33 -5.028 -13.020 -12.028 269 HA ASN 33 HA ASN 33 -4.824 -11.324 -14.468 270 1HB ASN 33 2HB ASN 33 -3.944 -10.395 -11.667 271 2HB ASN 33 1HB ASN 33 -4.139 -9.419 -13.118 272 1HD2 ASN 33 2HD2 ASN 33 -7.656 -9.175 -12.957 273 2HD2 ASN 33 1HD2 ASN 33 -6.329 -9.298 -14.055 274 H LYS 34 H LYS 34 -2.555 -10.108 -14.267 275 HA LYS 34 HA LYS 34 -0.422 -11.840 -13.397 276 1HB LYS 34 2HB LYS 34 0.373 -12.532 -15.501 277 2HB LYS 34 1HB LYS 34 -1.315 -12.649 -15.767 278 1HG LYS 34 2HG LYS 34 0.552 -10.400 -16.692 279 2HG LYS 34 1HG LYS 34 -0.045 -11.720 -17.654 280 1HD LYS 34 2HD LYS 34 -2.341 -10.990 -17.269 281 2HD LYS 34 1HD LYS 34 -1.768 -9.625 -16.335 282 1HE LYS 34 1HE LYS 34 -0.493 -8.761 -18.344 283 2HE LYS 34 2HE LYS 34 -1.045 -10.140 -19.276 284 1HZ LYS 34 3HZ LYS 34 -3.317 -9.353 -18.934 285 2HZ LYS 34 2HZ LYS 34 -2.672 -7.951 -18.215 286 3HZ LYS 34 1HZ LYS 34 -2.312 -8.311 -19.834 287 H ALA 35 H ALA 35 1.665 -10.987 -14.272 288 HA ALA 35 HA ALA 35 2.506 -8.698 -13.241 289 1HB ALA 35 2HB ALA 35 3.326 -9.936 -15.940 290 2HB ALA 35 1HB ALA 35 4.283 -8.705 -15.144 291 3HB ALA 35 3HB ALA 35 4.055 -10.275 -14.378 292 H GLY 36 H GLY 36 1.928 -6.646 -13.346 293 1HA GLY 36 2HA GLY 36 1.919 -4.681 -14.609 294 2HA GLY 36 1HA GLY 36 1.015 -5.485 -15.922 295 H SER 37 H SER 37 -0.739 -6.877 -14.054 296 HA SER 37 HA SER 37 -2.620 -4.938 -13.230 297 1HB SER 37 1HB SER 37 -3.724 -6.816 -12.024 298 2HB SER 37 2HB SER 37 -3.361 -7.346 -13.583 299 HG SER 37 HG SER 37 -1.150 -8.355 -11.995 300 H PHE 38 H PHE 38 -2.682 -3.757 -11.342 301 HA PHE 38 HA PHE 38 -0.580 -4.326 -9.280 302 1HB PHE 38 2HB PHE 38 -1.359 -1.671 -10.713 303 2HB PHE 38 1HB PHE 38 -0.570 -1.650 -9.178 304 HD1 PHE 38 HD1 PHE 38 0.639 -4.031 -11.851 305 HD2 PHE 38 HD2 PHE 38 1.060 -0.239 -9.991 306 HE1 PHE 38 HE1 PHE 38 2.818 -3.770 -12.843 307 HE2 PHE 38 HE2 PHE 38 3.402 -0.127 -10.760 308 HZ PHE 38 HZ PHE 38 4.295 -1.940 -12.176 309 H LEU 39 H LEU 39 -0.868 -2.815 -7.549 310 HA LEU 39 HA LEU 39 -3.419 -2.025 -6.284 311 1HB LEU 39 2HB LEU 39 -1.207 -3.859 -5.254 312 2HB LEU 39 1HB LEU 39 -1.892 -2.797 -4.096 313 HG LEU 39 HG LEU 39 -2.645 -5.238 -4.306 314 1HD1 LEU 39 3HD1 LEU 39 -3.351 -3.363 -2.775 315 2HD1 LEU 39 2HD1 LEU 39 -4.546 -2.910 -3.951 316 3HD1 LEU 39 1HD1 LEU 39 -4.695 -4.477 -3.119 317 1HD2 LEU 39 3HD2 LEU 39 -3.429 -5.241 -6.588 318 2HD2 LEU 39 2HD2 LEU 39 -4.651 -5.654 -5.393 319 3HD2 LEU 39 1HD2 LEU 39 -4.703 -4.058 -6.185 320 H ILE 40 H ILE 40 -3.038 0.038 -5.190 321 HA ILE 40 HA ILE 40 -0.121 0.562 -4.634 322 HB ILE 40 HB ILE 40 -1.469 1.724 -6.809 323 1HG1 ILE 40 1HG1 ILE 40 0.381 3.645 -5.325 324 2HG1 ILE 40 2HG1 ILE 40 1.037 2.127 -5.843 325 1HG2 ILE 40 2HG2 ILE 40 -3.024 3.020 -5.312 326 2HG2 ILE 40 1HG2 ILE 40 -1.599 3.754 -4.550 327 3HG2 ILE 40 3HG2 ILE 40 -1.893 4.085 -6.197 328 1HD1 ILE 40 2HD1 ILE 40 -0.095 2.632 -8.248 329 2HD1 ILE 40 1HD1 ILE 40 -0.191 4.238 -7.602 330 3HD1 ILE 40 3HD1 ILE 40 1.380 3.433 -7.760 331 H ARG 41 H ARG 41 -0.317 0.026 -2.417 332 HA ARG 41 HA ARG 41 -2.706 0.886 -1.041 333 1HB ARG 41 2HB ARG 41 -1.921 -0.555 0.709 334 2HB ARG 41 1HB ARG 41 -1.711 -1.351 -0.810 335 1HG ARG 41 2HG ARG 41 0.299 -1.888 0.127 336 2HG ARG 41 1HG ARG 41 0.763 -0.380 -0.608 337 1HD ARG 41 2HD ARG 41 1.611 -0.426 1.710 338 2HD ARG 41 1HD ARG 41 0.278 0.747 1.667 339 HE ARG 41 HE ARG 41 -0.652 -1.870 2.356 340 1HH1 ARG 41 1HH2 ARG 41 1.079 0.932 3.648 341 2HH1 ARG 41 2HH2 ARG 41 0.654 0.574 5.290 342 1HH2 ARG 41 2HH1 ARG 41 -1.152 -2.286 4.519 343 2HH2 ARG 41 1HH1 ARG 41 -0.625 -1.216 5.787 344 H GLU 42 H GLU 42 -2.838 2.368 0.623 345 HA GLU 42 HA GLU 42 -0.879 4.514 0.483 346 1HB GLU 42 2HB GLU 42 -2.377 5.863 1.629 347 2HB GLU 42 1HB GLU 42 -3.482 4.693 0.947 348 1HG GLU 42 2HG GLU 42 -3.537 3.502 3.029 349 2HG GLU 42 1HG GLU 42 -2.473 4.578 3.863 350 H SER 43 H SER 43 0.377 5.429 2.449 351 HA SER 43 HA SER 43 1.097 3.067 4.106 352 1HB SER 43 2HB SER 43 3.145 4.359 3.571 353 2HB SER 43 1HB SER 43 2.357 5.773 3.681 354 HG SER 43 HG SER 43 2.475 4.669 6.454 355 H GLU 44 H GLU 44 0.546 2.986 6.243 356 HA GLU 44 HA GLU 44 -1.620 4.827 7.065 357 1HB GLU 44 2HB GLU 44 -2.099 3.015 8.712 358 2HB GLU 44 1HB GLU 44 -2.231 2.715 6.998 359 1HG GLU 44 2HG GLU 44 -0.106 1.433 6.962 360 2HG GLU 44 1HG GLU 44 0.257 1.902 8.603 361 H SER 45 H SER 45 1.090 5.768 7.156 362 HA SER 45 HA SER 45 1.299 6.784 9.899 363 1HB SER 45 2HB SER 45 3.520 5.742 10.289 364 2HB SER 45 1HB SER 45 2.401 4.517 9.921 365 HG SER 45 HG SER 45 3.841 5.216 7.390 366 H ASN 46 H ASN 46 1.173 7.536 6.874 367 HA ASN 46 HA ASN 46 3.794 8.860 6.471 368 1HB ASN 46 2HB ASN 46 2.995 8.932 4.089 369 2HB ASN 46 1HB ASN 46 3.080 7.366 4.741 370 1HD2 ASN 46 2HD2 ASN 46 -0.880 8.370 4.830 371 2HD2 ASN 46 1HD2 ASN 46 0.190 9.087 5.968 372 H LYS 47 H LYS 47 3.740 10.589 5.040 373 HA LYS 47 HA LYS 47 1.807 12.655 5.585 374 1HB LYS 47 2HB LYS 47 3.380 14.343 5.524 375 2HB LYS 47 1HB LYS 47 4.170 13.048 6.391 376 1HG LYS 47 2HG LYS 47 4.489 13.715 3.514 377 2HG LYS 47 1HG LYS 47 5.582 14.159 4.783 378 1HD LYS 47 2HD LYS 47 5.884 11.718 5.350 379 2HD LYS 47 1HD LYS 47 5.004 11.272 3.922 380 1HE LYS 47 1HE LYS 47 7.429 13.085 3.869 381 2HE LYS 47 2HE LYS 47 7.556 11.338 3.688 382 1HZ LYS 47 3HZ LYS 47 6.041 13.136 1.897 383 2HZ LYS 47 2HZ LYS 47 7.545 12.436 1.577 384 3HZ LYS 47 1HZ LYS 47 6.167 11.458 1.747 385 H GLY 48 H GLY 48 0.891 10.853 4.085 386 1HA GLY 48 2HA GLY 48 -0.601 11.005 2.327 387 2HA GLY 48 1HA GLY 48 0.362 12.337 1.590 388 H ALA 49 H ALA 49 1.896 9.510 2.725 389 HA ALA 49 HA ALA 49 2.898 8.910 -0.005 390 1HB ALA 49 1HB ALA 49 4.340 8.735 2.184 391 2HB ALA 49 3HB ALA 49 3.527 7.189 2.466 392 3HB ALA 49 2HB ALA 49 4.512 7.429 1.039 393 H PHE 50 H PHE 50 3.257 6.583 -0.559 394 HA PHE 50 HA PHE 50 0.987 4.838 -0.085 395 1HB PHE 50 2HB PHE 50 1.424 6.244 -2.777 396 2HB PHE 50 1HB PHE 50 0.874 4.604 -2.796 397 HD1 PHE 50 HD2 PHE 50 -0.004 8.010 -1.535 398 HD2 PHE 50 HD1 PHE 50 -1.352 4.034 -2.324 399 HE1 PHE 50 HE2 PHE 50 -2.321 8.710 -1.126 400 HE2 PHE 50 HE1 PHE 50 -3.674 4.764 -1.972 401 HZ PHE 50 HZ PHE 50 -4.162 7.098 -1.365 402 H SER 51 H SER 51 1.499 2.958 -1.959 403 HA SER 51 HA SER 51 4.269 2.230 -2.191 404 1HB SER 51 2HB SER 51 2.757 0.025 -0.755 405 2HB SER 51 1HB SER 51 4.382 0.376 -0.745 406 HG SER 51 HG SER 51 3.013 2.474 0.884 407 H LEU 52 H LEU 52 4.167 -0.311 -3.176 408 HA LEU 52 HA LEU 52 1.647 -0.591 -4.721 409 1HB LEU 52 2HB LEU 52 3.155 1.319 -5.674 410 2HB LEU 52 1HB LEU 52 4.454 0.213 -5.831 411 HG LEU 52 HG LEU 52 3.395 -0.809 -7.769 412 1HD1 LEU 52 1HD1 LEU 52 0.958 0.345 -6.663 413 2HD1 LEU 52 3HD1 LEU 52 1.137 0.826 -8.316 414 3HD1 LEU 52 2HD1 LEU 52 1.134 -0.895 -7.872 415 1HD2 LEU 52 3HD2 LEU 52 3.308 2.277 -7.818 416 2HD2 LEU 52 1HD2 LEU 52 4.680 1.247 -8.217 417 3HD2 LEU 52 2HD2 LEU 52 3.250 1.304 -9.244 418 H SER 53 H SER 53 1.248 -2.530 -5.281 419 HA SER 53 HA SER 53 3.274 -4.707 -5.023 420 1HB SER 53 2HB SER 53 0.331 -5.326 -4.874 421 2HB SER 53 1HB SER 53 1.605 -6.046 -4.090 422 HG SER 53 HG SER 53 1.180 -3.356 -2.840 423 H VAL 54 H VAL 54 3.663 -5.860 -6.903 424 HA VAL 54 HA VAL 54 1.767 -5.644 -9.220 425 HB VAL 54 HB VAL 54 4.831 -5.336 -9.362 426 1HG1 VAL 54 3HG1 VAL 54 2.804 -5.472 -11.562 427 2HG1 VAL 54 2HG1 VAL 54 4.416 -4.724 -11.746 428 3HG1 VAL 54 1HG1 VAL 54 4.257 -6.403 -11.327 429 1HG2 VAL 54 2HG2 VAL 54 2.672 -3.252 -9.477 430 2HG2 VAL 54 1HG2 VAL 54 3.893 -3.374 -8.270 431 3HG2 VAL 54 3HG2 VAL 54 4.403 -2.989 -9.877 432 H LYS 55 H LYS 55 1.765 -7.739 -10.544 433 HA LYS 55 HA LYS 55 2.870 -9.898 -8.908 434 1HB LYS 55 2HB LYS 55 0.787 -9.878 -10.017 435 2HB LYS 55 1HB LYS 55 1.562 -9.882 -11.607 436 1HG LYS 55 2HG LYS 55 2.076 -12.166 -11.438 437 2HG LYS 55 1HG LYS 55 2.101 -12.156 -9.684 438 1HD LYS 55 2HD LYS 55 -0.208 -11.821 -9.535 439 2HD LYS 55 1HD LYS 55 -0.486 -11.639 -11.237 440 1HE LYS 55 1HE LYS 55 0.543 -14.230 -9.980 441 2HE LYS 55 2HE LYS 55 -1.159 -13.872 -10.110 442 1HZ LYS 55 1HZ LYS 55 0.598 -13.989 -12.449 443 2HZ LYS 55 3HZ LYS 55 -0.319 -15.266 -11.843 444 3HZ LYS 55 2HZ LYS 55 -1.104 -13.860 -12.399 445 H ASP 56 H ASP 56 5.292 -10.159 -8.925 446 HA ASP 56 HA ASP 56 6.494 -10.002 -11.581 447 1HB ASP 56 2HB ASP 56 7.927 -9.060 -10.211 448 2HB ASP 56 1HB ASP 56 7.641 -10.083 -8.858 449 H ILE 57 H ILE 57 6.049 -11.443 -12.904 450 HA ILE 57 HA ILE 57 5.902 -14.278 -12.102 451 HB ILE 57 HB ILE 57 5.211 -12.959 -14.738 452 1HG1 ILE 57 1HG1 ILE 57 3.559 -13.642 -12.283 453 2HG1 ILE 57 2HG1 ILE 57 3.749 -12.086 -13.045 454 1HG2 ILE 57 1HG2 ILE 57 5.753 -15.418 -14.931 455 2HG2 ILE 57 3HG2 ILE 57 4.535 -15.766 -13.707 456 3HG2 ILE 57 2HG2 ILE 57 4.069 -15.102 -15.273 457 1HD1 ILE 57 2HD1 ILE 57 2.548 -12.994 -15.079 458 2HD1 ILE 57 1HD1 ILE 57 2.208 -14.457 -14.132 459 3HD1 ILE 57 3HD1 ILE 57 1.576 -12.896 -13.606 460 H THR 58 H THR 58 7.678 -15.268 -12.020 461 HA THR 58 HA THR 58 9.639 -15.158 -14.222 462 HB THR 58 HB THR 58 10.476 -13.590 -12.665 463 HG1 THR 58 HG1 THR 58 12.135 -16.022 -12.146 464 1HG2 THR 58 1HG2 THR 58 9.698 -15.387 -10.288 465 2HG2 THR 58 3HG2 THR 58 10.705 -13.935 -10.150 466 3HG2 THR 58 2HG2 THR 58 9.099 -13.837 -10.771 467 H THR 59 H THR 59 11.324 -16.863 -13.925 468 HA THR 59 HA THR 59 9.904 -19.339 -13.537 469 HB THR 59 HB THR 59 11.413 -19.395 -15.282 470 HG1 THR 59 HG1 THR 59 12.494 -21.278 -13.222 471 1HG2 THR 59 3HG2 THR 59 13.774 -18.420 -13.545 472 2HG2 THR 59 2HG2 THR 59 13.875 -19.035 -15.179 473 3HG2 THR 59 1HG2 THR 59 12.924 -17.635 -14.876 474 H GLN 60 H GLN 60 11.335 -17.282 -11.304 475 HA GLN 60 HA GLN 60 12.250 -19.458 -9.548 476 1HB GLN 60 2HB GLN 60 12.130 -16.507 -8.863 477 2HB GLN 60 1HB GLN 60 12.864 -17.769 -7.955 478 1HG GLN 60 2HG GLN 60 14.797 -17.193 -9.002 479 2HG GLN 60 1HG GLN 60 14.214 -18.194 -10.317 480 1HE2 GLN 60 2HE2 GLN 60 14.560 -15.526 -12.488 481 2HE2 GLN 60 1HE2 GLN 60 14.833 -17.201 -12.132 482 H GLY 61 H GLY 61 9.378 -17.673 -10.232 483 1HA GLY 61 2HA GLY 61 7.519 -19.075 -9.083 484 2HA GLY 61 1HA GLY 61 8.167 -18.258 -7.602 485 H GLU 62 H GLU 62 5.485 -18.131 -8.974 486 HA GLU 62 HA GLU 62 5.290 -15.484 -10.017 487 1HB GLU 62 2HB GLU 62 3.820 -17.750 -10.265 488 2HB GLU 62 1HB GLU 62 2.945 -17.093 -8.892 489 1HG GLU 62 2HG GLU 62 2.608 -14.959 -10.188 490 2HG GLU 62 1HG GLU 62 3.460 -15.707 -11.530 491 H VAL 63 H VAL 63 5.930 -13.934 -8.605 492 HA VAL 63 HA VAL 63 4.815 -13.905 -5.837 493 HB VAL 63 HB VAL 63 6.823 -12.545 -5.321 494 1HG1 VAL 63 3HG1 VAL 63 7.018 -14.971 -5.055 495 2HG1 VAL 63 2HG1 VAL 63 7.652 -15.119 -6.691 496 3HG1 VAL 63 1HG1 VAL 63 8.555 -14.224 -5.479 497 1HG2 VAL 63 1HG2 VAL 63 6.988 -11.592 -7.765 498 2HG2 VAL 63 3HG2 VAL 63 8.488 -11.906 -6.920 499 3HG2 VAL 63 2HG2 VAL 63 7.903 -13.032 -8.139 500 H VAL 64 H VAL 64 5.541 -11.286 -5.389 501 HA VAL 64 HA VAL 64 4.066 -9.686 -7.316 502 HB VAL 64 HB VAL 64 3.802 -9.387 -4.287 503 1HG1 VAL 64 1HG1 VAL 64 2.321 -7.928 -6.550 504 2HG1 VAL 64 3HG1 VAL 64 1.720 -7.994 -4.958 505 3HG1 VAL 64 2HG1 VAL 64 3.218 -7.126 -5.216 506 1HG2 VAL 64 1HG2 VAL 64 2.593 -11.351 -5.165 507 2HG2 VAL 64 3HG2 VAL 64 1.487 -10.049 -4.700 508 3HG2 VAL 64 2HG2 VAL 64 1.848 -10.271 -6.390 509 H LYS 65 H LYS 65 4.700 -7.392 -6.213 510 HA LYS 65 HA LYS 65 7.637 -7.124 -5.629 511 1HB LYS 65 2HB LYS 65 6.351 -5.700 -8.027 512 2HB LYS 65 1HB LYS 65 7.944 -5.329 -7.441 513 1HG LYS 65 2HG LYS 65 7.068 -7.976 -8.599 514 2HG LYS 65 1HG LYS 65 7.890 -6.747 -9.476 515 1HD LYS 65 2HD LYS 65 9.558 -7.145 -7.197 516 2HD LYS 65 1HD LYS 65 9.039 -8.739 -7.657 517 1HE LYS 65 1HE LYS 65 9.762 -7.968 -10.120 518 2HE LYS 65 2HE LYS 65 10.685 -6.756 -9.252 519 1HZ LYS 65 1HZ LYS 65 10.819 -9.675 -8.870 520 2HZ LYS 65 3HZ LYS 65 11.923 -8.748 -9.747 521 3HZ LYS 65 2HZ LYS 65 11.784 -8.533 -8.065 522 H HIS 66 H HIS 66 8.027 -5.585 -4.169 523 HA HIS 66 HA HIS 66 5.900 -3.577 -3.698 524 1HB HIS 66 2HB HIS 66 8.197 -4.476 -1.895 525 2HB HIS 66 1HB HIS 66 6.929 -3.340 -1.440 526 HD1 HIS 66 HD1 HIS 66 7.590 -6.681 -0.825 527 HD2 HIS 66 HD2 HIS 66 4.241 -4.711 -2.408 528 HE1 HIS 66 HE1 HIS 66 5.588 -8.211 -0.494 529 H TYR 67 H TYR 67 6.212 -1.473 -3.880 530 HA TYR 67 HA TYR 67 8.935 -0.353 -4.327 531 1HB TYR 67 2HB TYR 67 6.473 0.661 -5.846 532 2HB TYR 67 1HB TYR 67 8.124 1.127 -6.080 533 HD1 TYR 67 HD2 TYR 67 5.727 -1.626 -6.468 534 HD2 TYR 67 HD1 TYR 67 9.586 -0.163 -7.481 535 HE1 TYR 67 HE2 TYR 67 5.942 -3.447 -7.951 536 HE2 TYR 67 HE1 TYR 67 9.867 -1.951 -9.108 537 HH TYR 67 HH TYR 67 7.618 -3.663 -10.530 538 H LYS 68 H LYS 68 9.088 1.895 -3.819 539 HA LYS 68 HA LYS 68 7.202 2.712 -1.667 540 1HB LYS 68 2HB LYS 68 8.987 3.594 -0.431 541 2HB LYS 68 1HB LYS 68 9.441 2.002 -0.953 542 1HG LYS 68 2HG LYS 68 11.395 3.006 -1.611 543 2HG LYS 68 1HG LYS 68 10.458 3.370 -3.027 544 1HD LYS 68 2HD LYS 68 11.049 5.567 -2.624 545 2HD LYS 68 1HD LYS 68 9.725 5.507 -1.493 546 1HE LYS 68 1HE LYS 68 12.704 5.298 -0.891 547 2HE LYS 68 2HE LYS 68 11.523 6.445 -0.259 548 1HZ LYS 68 2HZ LYS 68 10.457 4.653 0.895 549 2HZ LYS 68 1HZ LYS 68 11.637 3.575 0.332 550 3HZ LYS 68 3HZ LYS 68 12.085 4.843 1.368 551 H ILE 69 H ILE 69 5.846 4.141 -2.328 552 HA ILE 69 HA ILE 69 6.819 6.379 -3.978 553 HB ILE 69 HB ILE 69 4.226 6.864 -3.976 554 1HG1 ILE 69 1HG1 ILE 69 4.096 4.214 -3.178 555 2HG1 ILE 69 2HG1 ILE 69 2.844 5.253 -3.743 556 1HG2 ILE 69 3HG2 ILE 69 5.704 7.150 -5.852 557 2HG2 ILE 69 2HG2 ILE 69 5.330 5.495 -6.348 558 3HG2 ILE 69 1HG2 ILE 69 4.029 6.670 -6.131 559 1HD1 ILE 69 1HD1 ILE 69 3.297 4.520 -6.110 560 2HD1 ILE 69 3HD1 ILE 69 4.344 3.266 -5.441 561 3HD1 ILE 69 2HD1 ILE 69 2.617 3.351 -5.029 562 H ARG 70 H ARG 70 7.398 7.993 -3.031 563 HA ARG 70 HA ARG 70 6.278 8.805 -0.365 564 1HB ARG 70 2HB ARG 70 8.746 9.496 -1.936 565 2HB ARG 70 1HB ARG 70 8.211 10.405 -0.545 566 1HG ARG 70 2HG ARG 70 8.121 7.932 0.550 567 2HG ARG 70 1HG ARG 70 9.420 7.661 -0.629 568 1HD ARG 70 2HD ARG 70 10.442 9.859 0.136 569 2HD ARG 70 1HD ARG 70 9.215 9.883 1.412 570 HE ARG 70 HE ARG 70 11.682 8.376 1.350 571 1HH1 ARG 70 1HH2 ARG 70 8.379 8.298 2.612 572 2HH1 ARG 70 2HH2 ARG 70 8.799 7.374 4.016 573 1HH2 ARG 70 2HH1 ARG 70 12.192 7.155 3.204 574 2HH2 ARG 70 1HH1 ARG 70 10.966 6.708 4.338 575 H SER 71 H SER 71 5.097 10.527 -0.313 576 HA SER 71 HA SER 71 4.561 12.058 -2.810 577 1HB SER 71 2HB SER 71 2.674 13.087 -1.504 578 2HB SER 71 1HB SER 71 2.521 11.415 -1.626 579 HG SER 71 HG SER 71 3.783 11.877 1.001 580 H LEU 72 H LEU 72 5.934 13.681 -3.130 581 HA LEU 72 HA LEU 72 7.312 14.922 -0.863 582 1HB LEU 72 2HB LEU 72 8.054 15.702 -3.659 583 2HB LEU 72 1HB LEU 72 9.028 15.494 -2.244 584 HG LEU 72 HG LEU 72 9.651 13.850 -3.586 585 1HD1 LEU 72 1HD1 LEU 72 8.192 13.029 -1.178 586 2HD1 LEU 72 3HD1 LEU 72 8.485 11.726 -2.308 587 3HD1 LEU 72 2HD1 LEU 72 9.808 12.723 -1.692 588 1HD2 LEU 72 1HD2 LEU 72 7.406 14.060 -5.014 589 2HD2 LEU 72 3HD2 LEU 72 8.430 12.627 -5.129 590 3HD2 LEU 72 2HD2 LEU 72 6.982 12.583 -4.164 591 H ASP 73 H ASP 73 7.769 16.912 -0.829 592 HA ASP 73 HA ASP 73 5.626 18.731 -0.607 593 1HB ASP 73 2HB ASP 73 7.463 20.379 -0.010 594 2HB ASP 73 1HB ASP 73 7.617 18.846 0.821 595 H ASN 74 H ASN 74 7.704 18.085 -3.283 596 HA ASN 74 HA ASN 74 7.297 20.692 -4.497 597 1HB ASN 74 2HB ASN 74 8.813 20.156 -6.166 598 2HB ASN 74 1HB ASN 74 9.417 19.226 -4.824 599 1HD2 ASN 74 2HD2 ASN 74 7.927 16.135 -6.401 600 2HD2 ASN 74 1HD2 ASN 74 7.608 17.010 -4.946 601 H GLY 75 H GLY 75 5.693 17.825 -4.428 602 1HA GLY 75 2HA GLY 75 3.361 17.664 -4.963 603 2HA GLY 75 1HA GLY 75 3.590 18.903 -6.272 604 H GLY 76 H GLY 76 4.474 15.671 -5.161 605 1HA GLY 76 2HA GLY 76 3.918 14.377 -7.516 606 2HA GLY 76 1HA GLY 76 5.699 14.676 -7.440 607 H TYR 77 H TYR 77 5.267 12.404 -7.632 608 HA TYR 77 HA TYR 77 5.593 10.979 -5.073 609 1HB TYR 77 2HB TYR 77 3.765 9.891 -7.350 610 2HB TYR 77 1HB TYR 77 4.378 8.944 -6.048 611 HD1 TYR 77 HD2 TYR 77 2.358 11.991 -6.651 612 HD2 TYR 77 HD1 TYR 77 3.270 8.789 -4.004 613 HE1 TYR 77 HE2 TYR 77 0.355 12.495 -5.468 614 HE2 TYR 77 HE1 TYR 77 1.324 9.229 -2.713 615 HH TYR 77 HH TYR 77 -1.317 10.588 -3.671 616 H TYR 78 H TYR 78 7.379 10.038 -5.088 617 HA TYR 78 HA TYR 78 8.555 9.243 -7.737 618 1HB TYR 78 2HB TYR 78 10.684 9.874 -7.128 619 2HB TYR 78 1HB TYR 78 9.781 11.147 -6.361 620 HD1 TYR 78 HD1 TYR 78 11.726 8.092 -5.888 621 HD2 TYR 78 HD2 TYR 78 9.817 11.351 -3.872 622 HE1 TYR 78 HE1 TYR 78 12.747 7.361 -3.911 623 HE2 TYR 78 HE2 TYR 78 10.885 10.770 -1.864 624 HH TYR 78 HH TYR 78 13.399 8.967 -1.331 625 H ILE 79 H ILE 79 9.583 7.418 -7.916 626 HA ILE 79 HA ILE 79 9.616 5.463 -5.669 627 HB ILE 79 HB ILE 79 9.465 3.643 -7.595 628 1HG1 ILE 79 1HG1 ILE 79 7.478 5.766 -8.441 629 2HG1 ILE 79 2HG1 ILE 79 8.945 5.396 -9.297 630 1HG2 ILE 79 1HG2 ILE 79 7.225 4.683 -5.885 631 2HG2 ILE 79 3HG2 ILE 79 7.136 3.187 -6.833 632 3HG2 ILE 79 2HG2 ILE 79 8.341 3.353 -5.588 633 1HD1 ILE 79 3HD1 ILE 79 7.569 2.883 -8.859 634 2HD1 ILE 79 2HD1 ILE 79 6.369 4.046 -9.392 635 3HD1 ILE 79 1HD1 ILE 79 7.835 3.671 -10.368 636 H SER 80 H SER 80 11.001 6.500 -8.631 637 HA SER 80 HA SER 80 13.665 5.814 -7.529 638 1HB SER 80 2HB SER 80 13.470 6.664 -10.421 639 2HB SER 80 1HB SER 80 14.496 5.547 -9.735 640 HG SER 80 HG SER 80 11.815 4.254 -9.947 641 HA PRO 81 HA PRO 81 13.143 10.188 -6.848 642 1HB PRO 81 2HB PRO 81 16.110 10.437 -6.699 643 2HB PRO 81 1HB PRO 81 14.872 10.812 -5.473 644 1HG PRO 81 2HG PRO 81 16.480 8.608 -5.243 645 2HG PRO 81 1HG PRO 81 14.800 8.621 -4.696 646 1HD PRO 81 1HD PRO 81 15.893 7.413 -7.207 647 2HD PRO 81 2HD PRO 81 14.640 6.823 -6.074 648 H ARG 82 H ARG 82 15.080 8.936 -9.389 649 HA ARG 82 HA ARG 82 15.470 11.455 -10.731 650 1HB ARG 82 2HB ARG 82 16.420 10.208 -12.567 651 2HB ARG 82 1HB ARG 82 17.040 9.693 -11.039 652 1HG ARG 82 2HG ARG 82 16.779 7.741 -12.311 653 2HG ARG 82 1HG ARG 82 15.476 7.649 -11.156 654 1HD ARG 82 2HD ARG 82 13.834 7.970 -12.823 655 2HD ARG 82 1HD ARG 82 14.882 8.968 -13.812 656 HE ARG 82 HE ARG 82 15.790 7.098 -14.812 657 1HH1 ARG 82 1HH2 ARG 82 13.570 6.122 -12.244 658 2HH1 ARG 82 2HH2 ARG 82 13.445 4.494 -12.801 659 1HH2 ARG 82 2HH1 ARG 82 15.599 4.966 -15.520 660 2HH2 ARG 82 1HH1 ARG 82 14.600 3.839 -14.670 661 H ILE 83 H ILE 83 12.792 9.275 -10.552 662 HA ILE 83 HA ILE 83 11.317 10.921 -12.499 663 HB ILE 83 HB ILE 83 9.848 9.080 -12.961 664 1HG1 ILE 83 1HG1 ILE 83 12.090 7.400 -11.783 665 2HG1 ILE 83 2HG1 ILE 83 10.435 7.482 -11.235 666 1HG2 ILE 83 2HG2 ILE 83 12.636 9.091 -14.092 667 2HG2 ILE 83 1HG2 ILE 83 11.248 8.305 -14.846 668 3HG2 ILE 83 3HG2 ILE 83 11.249 10.025 -14.610 669 1HD1 ILE 83 3HD1 ILE 83 9.870 6.915 -13.756 670 2HD1 ILE 83 2HD1 ILE 83 11.531 6.378 -13.807 671 3HD1 ILE 83 1HD1 ILE 83 10.410 5.565 -12.711 672 H THR 84 H THR 84 9.749 11.930 -11.858 673 HA THR 84 HA THR 84 8.107 11.002 -9.592 674 HB THR 84 HB THR 84 8.702 13.965 -9.785 675 HG1 THR 84 HG1 THR 84 11.108 12.316 -9.195 676 1HG2 THR 84 3HG2 THR 84 8.351 12.090 -7.447 677 2HG2 THR 84 2HG2 THR 84 8.671 13.814 -7.314 678 3HG2 THR 84 1HG2 THR 84 7.238 13.230 -8.148 679 H PHE 85 H PHE 85 6.254 11.897 -9.572 680 HA PHE 85 HA PHE 85 5.093 13.354 -11.930 681 1HB PHE 85 2HB PHE 85 4.193 10.535 -11.162 682 2HB PHE 85 1HB PHE 85 3.290 11.542 -12.253 683 HD1 PHE 85 HD2 PHE 85 6.416 9.682 -11.799 684 HD2 PHE 85 HD1 PHE 85 4.117 11.996 -14.553 685 HE1 PHE 85 HE2 PHE 85 7.918 9.004 -13.674 686 HE2 PHE 85 HE1 PHE 85 5.590 11.277 -16.389 687 HZ PHE 85 HZ PHE 85 7.542 9.744 -15.888 688 HA PRO 86 HA PRO 86 2.809 15.512 -8.788 689 1HB PRO 86 2HB PRO 86 0.403 16.055 -10.120 690 2HB PRO 86 1HB PRO 86 1.916 16.936 -10.295 691 1HG PRO 86 2HG PRO 86 0.825 14.785 -12.077 692 2HG PRO 86 1HG PRO 86 1.635 16.283 -12.561 693 1HD PRO 86 1HD PRO 86 2.961 13.915 -12.573 694 2HD PRO 86 2HD PRO 86 3.799 15.399 -12.075 695 H THR 87 H THR 87 1.414 12.616 -10.111 696 HA THR 87 HA THR 87 0.395 11.963 -7.518 697 HB THR 87 HB THR 87 -1.514 13.170 -8.203 698 HG1 THR 87 HG1 THR 87 -2.260 10.301 -8.080 699 1HG2 THR 87 1HG2 THR 87 -1.517 11.722 -10.848 700 2HG2 THR 87 3HG2 THR 87 -2.844 12.737 -10.206 701 3HG2 THR 87 2HG2 THR 87 -1.248 13.400 -10.438 702 H LEU 88 H LEU 88 -0.670 9.724 -7.623 703 HA LEU 88 HA LEU 88 1.131 8.079 -9.016 704 1HB LEU 88 2HB LEU 88 -1.642 7.254 -7.962 705 2HB LEU 88 1HB LEU 88 -0.598 6.229 -8.838 706 HG LEU 88 HG LEU 88 -0.610 5.862 -6.501 707 1HD1 LEU 88 1HD1 LEU 88 1.495 5.462 -7.967 708 2HD1 LEU 88 3HD1 LEU 88 2.190 6.793 -7.077 709 3HD1 LEU 88 2HD1 LEU 88 1.516 5.367 -6.211 710 1HD2 LEU 88 2HD2 LEU 88 0.750 8.472 -6.145 711 2HD2 LEU 88 1HD2 LEU 88 -0.806 7.878 -5.441 712 3HD2 LEU 88 3HD2 LEU 88 0.754 7.064 -5.038 713 H GLN 89 H GLN 89 -1.951 9.646 -10.168 714 HA GLN 89 HA GLN 89 -2.274 7.487 -12.140 715 1HB GLN 89 2HB GLN 89 -3.769 9.012 -13.552 716 2HB GLN 89 1HB GLN 89 -4.278 8.278 -12.101 717 1HG GLN 89 2HG GLN 89 -5.187 10.361 -11.955 718 2HG GLN 89 1HG GLN 89 -3.837 10.400 -10.875 719 1HE2 GLN 89 2HE2 GLN 89 -2.447 12.277 -14.163 720 2HE2 GLN 89 1HE2 GLN 89 -2.467 10.574 -13.906 721 H ALA 90 H ALA 90 -0.436 10.487 -12.315 722 HA ALA 90 HA ALA 90 0.086 10.134 -15.156 723 1HB ALA 90 1HB ALA 90 1.416 11.924 -13.035 724 2HB ALA 90 3HB ALA 90 1.815 12.003 -14.751 725 3HB ALA 90 2HB ALA 90 0.192 12.393 -14.196 726 H LEU 91 H LEU 91 1.310 8.728 -12.347 727 HA LEU 91 HA LEU 91 3.894 7.894 -13.398 728 1HB LEU 91 2HB LEU 91 4.056 8.373 -11.226 729 2HB LEU 91 1HB LEU 91 2.420 8.082 -10.815 730 HG LEU 91 HG LEU 91 4.324 5.802 -11.302 731 1HD1 LEU 91 1HD1 LEU 91 5.228 7.529 -9.515 732 2HD1 LEU 91 3HD1 LEU 91 3.843 7.078 -8.571 733 3HD1 LEU 91 2HD1 LEU 91 5.051 5.860 -8.973 734 1HD2 LEU 91 2HD2 LEU 91 1.715 6.102 -9.845 735 2HD2 LEU 91 1HD2 LEU 91 2.167 4.960 -11.114 736 3HD2 LEU 91 3HD2 LEU 91 2.838 4.720 -9.518 737 H VAL 92 H VAL 92 0.673 6.541 -12.709 738 HA VAL 92 HA VAL 92 1.282 3.931 -13.634 739 HB VAL 92 HB VAL 92 -1.377 5.281 -12.889 740 1HG1 VAL 92 3HG1 VAL 92 -1.599 2.899 -13.838 741 2HG1 VAL 92 2HG1 VAL 92 -0.565 2.412 -12.431 742 3HG1 VAL 92 1HG1 VAL 92 -2.127 3.132 -12.168 743 1HG2 VAL 92 3HG2 VAL 92 0.514 3.742 -11.068 744 2HG2 VAL 92 2HG2 VAL 92 0.132 5.446 -10.951 745 3HG2 VAL 92 1HG2 VAL 92 -1.085 4.284 -10.634 746 H GLN 93 H GLN 93 0.933 6.732 -15.245 747 HA GLN 93 HA GLN 93 -0.836 5.729 -17.369 748 1HB GLN 93 2HB GLN 93 -1.203 7.737 -18.271 749 2HB GLN 93 1HB GLN 93 -1.060 8.193 -16.606 750 1HG GLN 93 2HG GLN 93 1.152 9.218 -17.022 751 2HG GLN 93 1HG GLN 93 1.251 8.505 -18.609 752 1HE2 GLN 93 2HE2 GLN 93 -1.154 11.759 -17.989 753 2HE2 GLN 93 1HE2 GLN 93 -0.677 10.766 -16.657 754 H HIS 94 H HIS 94 2.307 7.129 -16.771 755 HA HIS 94 HA HIS 94 3.541 6.691 -19.247 756 1HB HIS 94 2HB HIS 94 4.378 8.270 -17.493 757 2HB HIS 94 1HB HIS 94 4.729 6.939 -16.413 758 HD1 HIS 94 HD1 HIS 94 7.266 7.274 -16.376 759 HD2 HIS 94 HD2 HIS 94 5.734 6.842 -20.257 760 HE1 HIS 94 HE1 HIS 94 9.250 7.031 -17.952 761 H TYR 95 H TYR 95 3.469 4.798 -16.226 762 HA TYR 95 HA TYR 95 5.157 2.734 -17.270 763 1HB TYR 95 2HB TYR 95 3.263 2.579 -14.915 764 2HB TYR 95 1HB TYR 95 4.530 1.432 -15.267 765 HD1 TYR 95 HD1 TYR 95 6.378 4.170 -16.129 766 HD2 TYR 95 HD2 TYR 95 4.302 2.632 -12.717 767 HE1 TYR 95 HE1 TYR 95 7.791 5.472 -14.735 768 HE2 TYR 95 HE2 TYR 95 5.658 3.887 -11.281 769 HH TYR 95 HH TYR 95 7.290 6.504 -11.813 770 H SER 96 H SER 96 1.682 3.324 -17.549 771 HA SER 96 HA SER 96 0.954 0.648 -18.170 772 1HB SER 96 2HB SER 96 -0.036 3.180 -19.706 773 2HB SER 96 1HB SER 96 -0.749 1.667 -19.866 774 HG SER 96 HG SER 96 -1.230 2.615 -17.082 775 H LYS 97 H LYS 97 2.312 3.060 -20.366 776 HA LYS 97 HA LYS 97 2.413 0.933 -22.432 777 1HB LYS 97 2HB LYS 97 3.109 3.934 -22.459 778 2HB LYS 97 1HB LYS 97 3.430 2.914 -23.827 779 1HG LYS 97 2HG LYS 97 1.369 4.112 -24.176 780 2HG LYS 97 1HG LYS 97 1.034 2.402 -24.101 781 1HD LYS 97 2HD LYS 97 0.073 2.587 -21.898 782 2HD LYS 97 1HD LYS 97 0.721 4.199 -21.657 783 1HE LYS 97 1HE LYS 97 -1.685 4.341 -22.117 784 2HE LYS 97 2HE LYS 97 -0.806 5.064 -23.461 785 1HZ LYS 97 1HZ LYS 97 -1.896 2.326 -23.379 786 2HZ LYS 97 3HZ LYS 97 -2.570 3.660 -24.191 787 3HZ LYS 97 2HZ LYS 97 -1.065 3.038 -24.675 788 H LYS 98 H LYS 98 4.776 2.707 -20.339 789 HA LYS 98 HA LYS 98 6.773 0.739 -21.068 790 1HB LYS 98 2HB LYS 98 6.750 2.637 -22.652 791 2HB LYS 98 1HB LYS 98 7.098 3.740 -21.372 792 1HG LYS 98 2HG LYS 98 8.756 1.280 -22.055 793 2HG LYS 98 1HG LYS 98 9.039 2.839 -22.789 794 1HD LYS 98 2HD LYS 98 9.324 2.157 -19.831 795 2HD LYS 98 1HD LYS 98 10.643 2.522 -20.932 796 1HE LYS 98 1HE LYS 98 8.437 4.316 -19.959 797 2HE LYS 98 2HE LYS 98 10.139 4.480 -19.555 798 1HZ LYS 98 2HZ LYS 98 8.969 4.910 -22.213 799 2HZ LYS 98 1HZ LYS 98 9.503 6.110 -21.139 800 3HZ LYS 98 3HZ LYS 98 10.618 5.033 -21.835 801 H GLY 99 H GLY 99 6.663 -0.188 -19.248 802 1HA GLY 99 2HA GLY 99 6.117 0.416 -16.725 803 2HA GLY 99 1HA GLY 99 7.415 -0.739 -17.175 804 H ASP 100 H ASP 100 9.153 1.085 -18.248 805 HA ASP 100 HA ASP 100 10.982 2.284 -17.757 806 1HB ASP 100 2HB ASP 100 9.088 3.984 -17.756 807 2HB ASP 100 1HB ASP 100 9.073 3.937 -16.035 808 H GLY 101 H GLY 101 11.431 0.287 -16.610 809 1HA GLY 101 2HA GLY 101 13.076 -0.434 -15.071 810 2HA GLY 101 1HA GLY 101 12.730 0.984 -14.026 811 H LEU 102 H LEU 102 9.741 0.119 -14.424 812 HA LEU 102 HA LEU 102 9.551 -1.323 -11.975 813 1HB LEU 102 2HB LEU 102 7.559 -0.646 -14.199 814 2HB LEU 102 1HB LEU 102 7.041 -1.622 -12.912 815 HG LEU 102 HG LEU 102 7.519 1.287 -12.971 816 1HD1 LEU 102 2HD1 LEU 102 5.282 0.258 -12.676 817 2HD1 LEU 102 1HD1 LEU 102 5.829 -0.503 -11.178 818 3HD1 LEU 102 3HD1 LEU 102 5.699 1.245 -11.272 819 1HD2 LEU 102 3HD2 LEU 102 8.288 -0.217 -10.435 820 2HD2 LEU 102 2HD2 LEU 102 9.357 0.836 -11.372 821 3HD2 LEU 102 1HD2 LEU 102 7.981 1.496 -10.510 822 H CYS 103 H CYS 103 10.140 -2.359 -15.129 823 HA CYS 103 HA CYS 103 10.567 -4.193 -16.149 824 1HB CYS 103 2HB CYS 103 11.143 -6.293 -15.049 825 2HB CYS 103 1HB CYS 103 11.955 -4.903 -14.396 826 HG CYS 103 HG CYS 103 11.478 -6.690 -12.289 827 H GLN 104 H GLN 104 7.767 -4.518 -14.031 828 HA GLN 104 HA GLN 104 6.379 -6.025 -16.172 829 1HB GLN 104 2HB GLN 104 5.910 -5.995 -13.113 830 2HB GLN 104 1HB GLN 104 4.757 -6.595 -14.269 831 1HG GLN 104 2HG GLN 104 5.912 -8.534 -13.428 832 2HG GLN 104 1HG GLN 104 6.482 -8.303 -15.072 833 1HE2 GLN 104 2HE2 GLN 104 8.899 -7.438 -11.851 834 2HE2 GLN 104 1HE2 GLN 104 7.172 -7.310 -11.728 835 H LYS 105 H LYS 105 6.130 -4.359 -17.188 836 HA LYS 105 HA LYS 105 5.084 -1.892 -16.493 837 1HB LYS 105 2HB LYS 105 5.046 -1.523 -18.807 838 2HB LYS 105 1HB LYS 105 6.097 -2.937 -18.690 839 1HG LYS 105 2HG LYS 105 3.996 -4.365 -19.179 840 2HG LYS 105 1HG LYS 105 3.164 -2.853 -19.552 841 1HD LYS 105 2HD LYS 105 5.752 -3.628 -20.958 842 2HD LYS 105 1HD LYS 105 4.185 -4.184 -21.508 843 1HE LYS 105 1HE LYS 105 3.351 -1.843 -21.608 844 2HE LYS 105 2HE LYS 105 4.966 -1.263 -21.139 845 1HZ LYS 105 2HZ LYS 105 5.843 -2.310 -23.114 846 2HZ LYS 105 1HZ LYS 105 4.276 -2.764 -23.585 847 3HZ LYS 105 3HZ LYS 105 4.690 -1.116 -23.458 848 H LEU 106 H LEU 106 3.097 -1.102 -16.655 849 HA LEU 106 HA LEU 106 1.201 -2.807 -15.409 850 1HB LEU 106 2HB LEU 106 0.108 -0.246 -16.584 851 2HB LEU 106 1HB LEU 106 -0.263 -0.984 -15.078 852 HG LEU 106 HG LEU 106 2.322 0.480 -15.747 853 1HD1 LEU 106 2HD1 LEU 106 -0.153 1.230 -14.287 854 2HD1 LEU 106 1HD1 LEU 106 1.323 1.592 -13.420 855 3HD1 LEU 106 3HD1 LEU 106 1.126 2.255 -15.011 856 1HD2 LEU 106 2HD2 LEU 106 2.764 -1.509 -14.262 857 2HD2 LEU 106 1HD2 LEU 106 2.977 0.022 -13.433 858 3HD2 LEU 106 3HD2 LEU 106 1.467 -0.899 -13.243 859 H THR 107 H THR 107 -0.939 -3.416 -16.037 860 HA THR 107 HA THR 107 -1.477 -3.301 -18.944 861 HB THR 107 HB THR 107 -1.788 -5.523 -19.328 862 HG1 THR 107 HG1 THR 107 -1.955 -6.302 -16.492 863 1HG2 THR 107 2HG2 THR 107 0.474 -4.887 -19.520 864 2HG2 THR 107 1HG2 THR 107 0.869 -5.200 -17.880 865 3HG2 THR 107 3HG2 THR 107 0.459 -6.549 -18.932 866 H LEU 108 H LEU 108 -2.803 -5.129 -16.236 867 HA LEU 108 HA LEU 108 -5.250 -3.400 -16.511 868 1HB LEU 108 2HB LEU 108 -5.420 -6.430 -16.416 869 2HB LEU 108 1HB LEU 108 -6.732 -5.355 -16.687 870 HG LEU 108 HG LEU 108 -4.446 -5.562 -18.672 871 1HD1 LEU 108 1HD1 LEU 108 -5.249 -7.803 -18.347 872 2HD1 LEU 108 3HD1 LEU 108 -6.914 -7.291 -18.643 873 3HD1 LEU 108 2HD1 LEU 108 -5.714 -7.197 -19.934 874 1HD2 LEU 108 2HD2 LEU 108 -6.035 -3.595 -18.840 875 2HD2 LEU 108 1HD2 LEU 108 -6.081 -4.651 -20.250 876 3HD2 LEU 108 3HD2 LEU 108 -7.362 -4.731 -19.041 877 HA PRO 109 HA PRO 109 -4.648 -3.902 -12.049 878 1HB PRO 109 2HB PRO 109 -7.130 -2.681 -11.306 879 2HB PRO 109 1HB PRO 109 -5.566 -1.918 -11.429 880 1HG PRO 109 2HG PRO 109 -7.827 -1.769 -13.304 881 2HG PRO 109 1HG PRO 109 -6.457 -0.669 -13.167 882 1HD PRO 109 1HD PRO 109 -6.815 -2.642 -15.219 883 2HD PRO 109 2HD PRO 109 -5.303 -1.772 -14.886 884 H CYS 110 H CYS 110 -5.419 -5.166 -10.448 885 HA CYS 110 HA CYS 110 -6.454 -7.605 -11.155 886 1HB CYS 110 1HB CYS 110 -5.256 -7.223 -9.056 887 2HB CYS 110 2HB CYS 110 -6.558 -6.252 -8.417 888 HG CYS 110 HG CYS 110 -6.417 -8.941 -7.250 889 H VAL 111 H VAL 111 -8.427 -8.771 -10.362 890 HA VAL 111 HA VAL 111 -10.764 -7.509 -11.428 891 HB VAL 111 HB VAL 111 -10.533 -10.004 -9.681 892 1HG1 VAL 111 2HG1 VAL 111 -12.879 -9.184 -9.771 893 2HG1 VAL 111 1HG1 VAL 111 -12.811 -9.151 -11.531 894 3HG1 VAL 111 3HG1 VAL 111 -12.706 -10.683 -10.665 895 1HG2 VAL 111 1HG2 VAL 111 -10.512 -9.713 -12.731 896 2HG2 VAL 111 3HG2 VAL 111 -9.165 -10.245 -11.729 897 3HG2 VAL 111 2HG2 VAL 111 -10.605 -11.241 -11.865 898 H ASN 112 H ASN 112 -12.249 -6.300 -10.466 899 HA ASN 112 HA ASN 112 -11.678 -5.161 -7.943 900 1HB ASN 112 2HB ASN 112 -12.882 -4.047 -9.904 901 2HB ASN 112 1HB ASN 112 -14.350 -4.872 -9.406 902 1HD2 ASN 112 2HD2 ASN 112 -15.126 -2.121 -7.432 903 2HD2 ASN 112 1HD2 ASN 112 -15.555 -3.192 -8.718 904 H LEU 113 H LEU 113 -13.972 -7.581 -8.965 905 HA LEU 113 HA LEU 113 -15.066 -9.205 -7.919 906 1HB LEU 113 2HB LEU 113 -13.956 -8.262 -5.224 907 2HB LEU 113 1HB LEU 113 -14.718 -9.787 -5.526 908 HG LEU 113 HG LEU 113 -12.122 -8.915 -6.864 909 1HD1 LEU 113 2HD1 LEU 113 -11.800 -9.084 -4.431 910 2HD1 LEU 113 1HD1 LEU 113 -12.479 -10.711 -4.436 911 3HD1 LEU 113 3HD1 LEU 113 -10.961 -10.382 -5.270 912 1HD2 LEU 113 3HD2 LEU 113 -13.389 -10.693 -8.122 913 2HD2 LEU 113 2HD2 LEU 113 -11.890 -11.309 -7.456 914 3HD2 LEU 113 1HD2 LEU 113 -13.419 -11.682 -6.669 915 H ALA 114 HN ALA 114 -16.914 -9.657 -6.689 916 HA ALA 114 HA ALA 114 -18.994 -9.303 -5.992 917 1HB ALA 114 2HB ALA 114 -17.959 -8.138 -4.054 918 2HB ALA 114 1HB ALA 114 -18.036 -6.598 -4.903 919 3HB ALA 114 3HB ALA 114 -19.519 -7.433 -4.456 No H/Q in entry = 919 Start of MODEL 6 1 1H GLY 1 2H GLY 1 -29.666 -7.454 -2.208 2 2H GLY 1 1H GLY 1 -30.246 -8.545 -1.044 3 3H GLY 1 3H GLY 1 -30.280 -8.959 -2.691 4 1HA GLY 1 2HA GLY 1 -32.449 -8.391 -1.930 5 2HA GLY 1 1HA GLY 1 -31.801 -6.794 -1.399 6 H SER 2 H SER 2 -33.166 -5.656 -2.634 7 HA SER 2 HA SER 2 -33.346 -6.045 -5.511 8 1HB SER 2 2HB SER 2 -34.334 -3.505 -4.113 9 2HB SER 2 1HB SER 2 -35.028 -4.353 -5.395 10 HG SER 2 HG SER 2 -35.322 -6.008 -2.907 11 H VAL 3 H VAL 3 -32.365 -4.953 -7.050 12 HA VAL 3 HA VAL 3 -30.897 -3.706 -8.135 13 HB VAL 3 HB VAL 3 -30.959 -1.709 -5.822 14 1HG1 VAL 3 3HG1 VAL 3 -29.115 -1.250 -7.442 15 2HG1 VAL 3 2HG1 VAL 3 -30.270 -1.300 -8.769 16 3HG1 VAL 3 1HG1 VAL 3 -30.374 -0.034 -7.549 17 1HG2 VAL 3 3HG2 VAL 3 -32.793 -1.918 -8.259 18 2HG2 VAL 3 2HG2 VAL 3 -33.275 -2.136 -6.577 19 3HG2 VAL 3 1HG2 VAL 3 -32.749 -0.562 -7.138 20 H ALA 4 H ALA 4 -29.247 -2.374 -5.380 21 HA ALA 4 HA ALA 4 -27.535 -4.553 -4.848 22 1HB ALA 4 3HB ALA 4 -26.433 -2.424 -6.784 23 2HB ALA 4 2HB ALA 4 -25.404 -3.598 -5.965 24 3HB ALA 4 1HB ALA 4 -26.599 -4.138 -7.130 25 HA PRO 5 HA PRO 5 -26.575 -1.738 -1.512 26 1HB PRO 5 2HB PRO 5 -23.767 -2.890 -1.387 27 2HB PRO 5 1HB PRO 5 -25.017 -2.894 -0.133 28 1HG PRO 5 2HG PRO 5 -24.383 -5.140 -1.461 29 2HG PRO 5 1HG PRO 5 -26.070 -4.775 -1.088 30 1HD PRO 5 1HD PRO 5 -24.675 -4.334 -3.744 31 2HD PRO 5 2HD PRO 5 -26.247 -5.077 -3.389 32 H VAL 6 H VAL 6 -23.599 -1.055 -1.014 33 HA VAL 6 HA VAL 6 -23.507 1.327 -2.761 34 HB VAL 6 HB VAL 6 -21.882 0.596 -0.285 35 1HG1 VAL 6 3HG1 VAL 6 -22.019 3.211 -1.860 36 2HG1 VAL 6 2HG1 VAL 6 -21.237 3.030 -0.289 37 3HG1 VAL 6 1HG1 VAL 6 -20.611 2.172 -1.686 38 1HG2 VAL 6 2HG2 VAL 6 -24.265 2.493 -0.589 39 2HG2 VAL 6 1HG2 VAL 6 -24.276 0.968 0.293 40 3HG2 VAL 6 3HG2 VAL 6 -23.300 2.308 0.871 41 H GLU 7 H GLU 7 -21.857 -1.678 -2.009 42 HA GLU 7 HA GLU 7 -19.532 -1.077 -3.626 43 1HB GLU 7 2HB GLU 7 -20.460 -3.759 -2.442 44 2HB GLU 7 1HB GLU 7 -18.858 -3.404 -3.032 45 1HG GLU 7 2HG GLU 7 -20.202 -2.227 -0.552 46 2HG GLU 7 1HG GLU 7 -18.848 -3.330 -0.589 47 H THR 8 H THR 8 -20.936 -0.467 -5.279 48 HA THR 8 HA THR 8 -22.020 -2.525 -7.070 49 HB THR 8 HB THR 8 -22.774 -0.284 -8.229 50 HG1 THR 8 HG1 THR 8 -21.748 1.038 -5.735 51 1HG2 THR 8 3HG2 THR 8 -23.953 -1.243 -5.564 52 2HG2 THR 8 2HG2 THR 8 -24.723 -0.056 -6.633 53 3HG2 THR 8 1HG2 THR 8 -24.331 -1.656 -7.206 54 H LEU 9 H LEU 9 -19.797 -3.166 -7.162 55 HA LEU 9 HA LEU 9 -17.825 -3.501 -8.085 56 1HB LEU 9 2HB LEU 9 -17.591 -3.391 -10.515 57 2HB LEU 9 1HB LEU 9 -19.035 -4.158 -9.956 58 HG LEU 9 HG LEU 9 -20.349 -2.095 -10.545 59 1HD1 LEU 9 2HD1 LEU 9 -17.714 -1.149 -11.784 60 2HD1 LEU 9 1HD1 LEU 9 -19.292 -0.438 -12.111 61 3HD1 LEU 9 3HD1 LEU 9 -18.603 -0.326 -10.507 62 1HD2 LEU 9 1HD2 LEU 9 -20.206 -4.030 -12.070 63 2HD2 LEU 9 3HD2 LEU 9 -20.303 -2.523 -12.975 64 3HD2 LEU 9 2HD2 LEU 9 -18.758 -3.356 -12.817 65 H GLU 10 H GLU 10 -18.374 -0.896 -6.815 66 HA GLU 10 HA GLU 10 -16.438 0.945 -7.998 67 1HB GLU 10 2HB GLU 10 -18.698 1.631 -7.137 68 2HB GLU 10 1HB GLU 10 -18.283 1.066 -5.540 69 1HG GLU 10 2HG GLU 10 -16.438 2.795 -5.430 70 2HG GLU 10 1HG GLU 10 -16.887 3.357 -7.033 71 H VAL 11 H VAL 11 -14.462 0.128 -7.680 72 HA VAL 11 HA VAL 11 -13.589 -0.308 -4.858 73 HB VAL 11 HB VAL 11 -12.171 -2.234 -5.688 74 1HG1 VAL 11 1HG1 VAL 11 -14.176 -2.607 -4.302 75 2HG1 VAL 11 3HG1 VAL 11 -15.180 -2.697 -5.747 76 3HG1 VAL 11 2HG1 VAL 11 -13.946 -3.916 -5.455 77 1HG2 VAL 11 2HG2 VAL 11 -12.364 -1.913 -8.179 78 2HG2 VAL 11 1HG2 VAL 11 -12.918 -3.500 -7.693 79 3HG2 VAL 11 3HG2 VAL 11 -14.087 -2.248 -8.086 80 H GLU 12 H GLU 12 -12.529 0.101 -8.225 81 HA GLU 12 HA GLU 12 -10.757 1.082 -9.140 82 1HB GLU 12 2HB GLU 12 -10.744 2.938 -6.690 83 2HB GLU 12 1HB GLU 12 -10.058 3.290 -8.260 84 1HG GLU 12 2HG GLU 12 -12.419 2.989 -9.256 85 2HG GLU 12 1HG GLU 12 -13.035 2.911 -7.623 86 H LYS 13 H LYS 13 -9.914 -0.821 -8.847 87 HA LYS 13 HA LYS 13 -8.293 -1.771 -6.776 88 1HB LYS 13 2HB LYS 13 -8.739 -2.533 -9.657 89 2HB LYS 13 1HB LYS 13 -7.633 -3.443 -8.658 90 1HG LYS 13 2HG LYS 13 -10.365 -2.805 -7.510 91 2HG LYS 13 1HG LYS 13 -10.273 -4.039 -8.719 92 1HD LYS 13 2HD LYS 13 -8.530 -5.260 -7.433 93 2HD LYS 13 1HD LYS 13 -8.559 -4.055 -6.174 94 1HE LYS 13 1HE LYS 13 -11.082 -5.544 -6.974 95 2HE LYS 13 2HE LYS 13 -9.923 -6.251 -5.843 96 1HZ LYS 13 3HZ LYS 13 -11.297 -3.683 -5.502 97 2HZ LYS 13 2HZ LYS 13 -11.707 -5.157 -4.759 98 3HZ LYS 13 1HZ LYS 13 -10.220 -4.408 -4.404 99 H TRP 14 H TRP 14 -7.219 0.013 -9.830 100 HA TRP 14 HA TRP 14 -4.529 -0.530 -9.052 101 1HB TRP 14 2HB TRP 14 -3.585 0.706 -10.641 102 2HB TRP 14 1HB TRP 14 -5.075 0.254 -11.362 103 HD1 TRP 14 HD1 TRP 14 -5.982 2.004 -12.847 104 HE1 TRP 14 HE1 TRP 14 -5.691 4.525 -13.179 105 HE3 TRP 14 HE3 TRP 14 -3.263 3.138 -8.639 106 HZ2 TRP 14 HZ2 TRP 14 -4.331 6.735 -11.832 107 HZ3 TRP 14 HZ3 TRP 14 -2.621 5.442 -8.192 108 HH2 TRP 14 HH2 TRP 14 -3.221 7.239 -9.789 109 H PHE 15 H PHE 15 -6.757 2.087 -8.299 110 HA PHE 15 HA PHE 15 -4.731 3.229 -6.518 111 1HB PHE 15 2HB PHE 15 -6.156 4.664 -8.049 112 2HB PHE 15 1HB PHE 15 -7.555 4.240 -7.100 113 HD1 PHE 15 HD1 PHE 15 -4.007 5.175 -6.194 114 HD2 PHE 15 HD2 PHE 15 -8.176 6.076 -5.789 115 HE1 PHE 15 HE1 PHE 15 -3.471 7.003 -4.658 116 HE2 PHE 15 HE2 PHE 15 -7.620 7.933 -4.266 117 HZ PHE 15 HZ PHE 15 -5.255 8.402 -3.702 118 H PHE 16 H PHE 16 -4.743 1.204 -5.248 119 HA PHE 16 HA PHE 16 -7.131 0.794 -3.638 120 1HB PHE 16 2HB PHE 16 -4.994 -0.913 -4.327 121 2HB PHE 16 1HB PHE 16 -4.657 -0.698 -2.650 122 HD1 PHE 16 HD2 PHE 16 -7.915 -0.394 -2.048 123 HD2 PHE 16 HD1 PHE 16 -5.333 -3.251 -3.916 124 HE1 PHE 16 HE2 PHE 16 -9.543 -2.150 -1.623 125 HE2 PHE 16 HE1 PHE 16 -7.003 -5.008 -3.522 126 HZ PHE 16 HZ PHE 16 -9.102 -4.471 -2.347 127 H ARG 17 H ARG 17 -5.954 0.165 -1.145 128 HA ARG 17 HA ARG 17 -4.836 2.714 -0.147 129 1HB ARG 17 2HB ARG 17 -7.379 1.250 0.822 130 2HB ARG 17 1HB ARG 17 -6.551 2.303 1.904 131 1HG ARG 17 2HG ARG 17 -7.926 3.136 -0.664 132 2HG ARG 17 1HG ARG 17 -8.366 3.437 1.015 133 1HD ARG 17 2HD ARG 17 -6.310 4.806 1.332 134 2HD ARG 17 1HD ARG 17 -5.927 4.617 -0.398 135 HE ARG 17 HE ARG 17 -8.503 5.549 -0.368 136 1HH1 ARG 17 1HH2 ARG 17 -5.418 6.623 0.973 137 2HH1 ARG 17 2HH2 ARG 17 -5.794 8.307 0.853 138 1HH2 ARG 17 2HH1 ARG 17 -8.971 7.780 -0.521 139 2HH2 ARG 17 1HH1 ARG 17 -7.820 8.962 0.005 140 H THR 18 H THR 18 -4.673 2.348 2.234 141 HA THR 18 HA THR 18 -2.579 0.661 2.864 142 HB THR 18 HB THR 18 -2.515 2.421 4.246 143 HG1 THR 18 HG1 THR 18 -3.901 0.526 6.068 144 1HG2 THR 18 2HG2 THR 18 -5.591 2.674 4.428 145 2HG2 THR 18 1HG2 THR 18 -4.367 3.722 5.229 146 3HG2 THR 18 3HG2 THR 18 -4.468 3.614 3.531 147 H ILE 19 H ILE 19 -3.393 -1.077 2.022 148 HA ILE 19 HA ILE 19 -5.056 -2.908 3.654 149 HB ILE 19 HB ILE 19 -5.130 -2.488 1.032 150 1HG1 ILE 19 1HG1 ILE 19 -5.345 -5.196 2.204 151 2HG1 ILE 19 2HG1 ILE 19 -6.590 -4.032 1.984 152 1HG2 ILE 19 3HG2 ILE 19 -2.573 -3.063 0.791 153 2HG2 ILE 19 2HG2 ILE 19 -3.188 -4.717 0.722 154 3HG2 ILE 19 1HG2 ILE 19 -3.737 -3.493 -0.454 155 1HD1 ILE 19 3HD1 ILE 19 -6.305 -4.129 -0.530 156 2HD1 ILE 19 2HD1 ILE 19 -5.147 -5.427 -0.358 157 3HD1 ILE 19 1HD1 ILE 19 -6.816 -5.674 0.148 158 H SER 20 H SER 20 -3.971 -5.094 3.947 159 HA SER 20 HA SER 20 -1.285 -4.389 5.000 160 1HB SER 20 2HB SER 20 -2.497 -6.080 6.323 161 2HB SER 20 1HB SER 20 -2.792 -7.050 4.974 162 HG SER 20 HG SER 20 0.147 -7.143 5.430 163 H ARG 21 H ARG 21 0.652 -5.392 4.348 164 HA ARG 21 HA ARG 21 1.097 -5.551 1.608 165 1HB ARG 21 2HB ARG 21 2.799 -5.313 3.583 166 2HB ARG 21 1HB ARG 21 2.882 -7.055 3.599 167 1HG ARG 21 2HG ARG 21 3.513 -7.010 1.162 168 2HG ARG 21 1HG ARG 21 3.504 -5.270 1.205 169 1HD ARG 21 2HD ARG 21 5.846 -6.087 1.444 170 2HD ARG 21 1HD ARG 21 5.347 -5.312 2.941 171 HE ARG 21 HE ARG 21 5.606 -7.315 4.013 172 1HH1 ARG 21 1HH2 ARG 21 5.217 -7.940 0.560 173 2HH1 ARG 21 2HH2 ARG 21 5.484 -9.643 0.712 174 1HH2 ARG 21 2HH1 ARG 21 5.947 -9.524 4.176 175 2HH2 ARG 21 1HH1 ARG 21 5.921 -10.549 2.782 176 H LYS 22 H LYS 22 0.120 -8.041 3.895 177 HA LYS 22 HA LYS 22 0.448 -10.292 2.120 178 1HB LYS 22 2HB LYS 22 -0.586 -11.569 3.734 179 2HB LYS 22 1HB LYS 22 0.386 -10.430 4.621 180 1HG LYS 22 2HG LYS 22 -1.532 -10.157 5.875 181 2HG LYS 22 1HG LYS 22 -2.117 -9.150 4.574 182 1HD LYS 22 2HD LYS 22 -3.130 -11.034 3.466 183 2HD LYS 22 1HD LYS 22 -2.548 -12.135 4.674 184 1HE LYS 22 1HE LYS 22 -3.938 -11.155 6.430 185 2HE LYS 22 2HE LYS 22 -4.314 -9.751 5.439 186 1HZ LYS 22 1HZ LYS 22 -5.169 -12.495 4.815 187 2HZ LYS 22 3HZ LYS 22 -6.104 -11.308 5.596 188 3HZ LYS 22 2HZ LYS 22 -5.583 -11.050 4.005 189 H ASP 23 H ASP 23 -1.993 -7.879 2.570 190 HA ASP 23 HA ASP 23 -4.020 -9.540 1.439 191 1HB ASP 23 2HB ASP 23 -3.912 -6.603 2.289 192 2HB ASP 23 1HB ASP 23 -5.280 -7.137 1.368 193 H ALA 24 H ALA 24 -2.332 -6.738 0.569 194 HA ALA 24 HA ALA 24 -3.359 -6.427 -2.092 195 1HB ALA 24 1HB ALA 24 -1.120 -5.266 -0.519 196 2HB ALA 24 3HB ALA 24 -0.779 -5.311 -2.257 197 3HB ALA 24 2HB ALA 24 -2.234 -4.506 -1.677 198 H GLU 25 H GLU 25 -0.605 -8.265 -0.792 199 HA GLU 25 HA GLU 25 0.232 -9.153 -3.388 200 1HB GLU 25 2HB GLU 25 0.839 -9.985 -0.532 201 2HB GLU 25 1HB GLU 25 1.527 -10.828 -1.871 202 1HG GLU 25 2HG GLU 25 2.919 -8.932 -0.778 203 2HG GLU 25 1HG GLU 25 2.939 -9.105 -2.499 204 H ARG 26 H ARG 26 -2.257 -10.148 -1.093 205 HA ARG 26 HA ARG 26 -2.499 -12.799 -2.164 206 1HB ARG 26 2HB ARG 26 -4.385 -13.057 -0.796 207 2HB ARG 26 1HB ARG 26 -3.642 -11.705 -0.020 208 1HG ARG 26 2HG ARG 26 -5.463 -10.422 -1.763 209 2HG ARG 26 1HG ARG 26 -6.222 -11.913 -1.450 210 1HD ARG 26 2HD ARG 26 -5.624 -11.086 1.165 211 2HD ARG 26 1HD ARG 26 -5.839 -9.553 0.326 212 HE ARG 26 HE ARG 26 -8.066 -9.967 0.196 213 1HH1 ARG 26 1HH2 ARG 26 -6.378 -13.007 0.712 214 2HH1 ARG 26 2HH2 ARG 26 -7.823 -13.936 0.928 215 1HH2 ARG 26 2HH1 ARG 26 -9.955 -11.189 0.498 216 2HH2 ARG 26 1HH1 ARG 26 -9.871 -12.888 0.820 217 H GLN 27 H GLN 27 -3.617 -9.667 -2.933 218 HA GLN 27 HA GLN 27 -5.657 -10.281 -4.794 219 1HB GLN 27 2HB GLN 27 -3.993 -7.742 -4.587 220 2HB GLN 27 1HB GLN 27 -5.367 -7.867 -5.613 221 1HG GLN 27 2HG GLN 27 -5.613 -8.538 -2.685 222 2HG GLN 27 1HG GLN 27 -5.645 -6.862 -3.200 223 1HE2 GLN 27 2HE2 GLN 27 -9.076 -8.152 -2.780 224 2HE2 GLN 27 1HE2 GLN 27 -7.653 -7.989 -1.801 225 H LEU 28 H LEU 28 -2.218 -9.277 -5.340 226 HA LEU 28 HA LEU 28 -2.581 -9.608 -8.176 227 1HB LEU 28 2HB LEU 28 -0.201 -8.906 -6.500 228 2HB LEU 28 1HB LEU 28 -0.183 -8.859 -8.263 229 HG LEU 28 HG LEU 28 -2.097 -7.323 -6.514 230 1HD1 LEU 28 2HD1 LEU 28 0.593 -6.679 -7.724 231 2HD1 LEU 28 1HD1 LEU 28 -0.561 -5.400 -7.447 232 3HD1 LEU 28 3HD1 LEU 28 -0.040 -6.407 -6.091 233 1HD2 LEU 28 1HD2 LEU 28 -1.725 -7.515 -9.502 234 2HD2 LEU 28 3HD2 LEU 28 -3.214 -7.570 -8.598 235 3HD2 LEU 28 2HD2 LEU 28 -2.388 -6.037 -8.790 236 H LEU 29 H LEU 29 -1.143 -11.648 -5.529 237 HA LEU 29 HA LEU 29 -0.002 -13.470 -7.387 238 1HB LEU 29 2HB LEU 29 -0.915 -13.767 -4.502 239 2HB LEU 29 1HB LEU 29 -0.059 -15.023 -5.347 240 HG LEU 29 HG LEU 29 1.094 -12.207 -5.101 241 1HD1 LEU 29 1HD1 LEU 29 0.610 -13.106 -2.875 242 2HD1 LEU 29 3HD1 LEU 29 1.593 -14.528 -3.217 243 3HD1 LEU 29 2HD1 LEU 29 2.339 -12.921 -3.168 244 1HD2 LEU 29 2HD2 LEU 29 2.339 -14.950 -5.772 245 2HD2 LEU 29 1HD2 LEU 29 2.183 -13.585 -6.861 246 3HD2 LEU 29 3HD2 LEU 29 3.243 -13.470 -5.464 247 H ALA 30 H ALA 30 -3.317 -12.768 -6.516 248 HA ALA 30 HA ALA 30 -4.444 -15.298 -6.719 249 1HB ALA 30 2HB ALA 30 -5.717 -13.201 -6.095 250 2HB ALA 30 1HB ALA 30 -5.650 -12.667 -7.773 251 3HB ALA 30 3HB ALA 30 -6.551 -14.112 -7.350 252 HA PRO 31 HA PRO 31 -3.753 -16.417 -10.961 253 1HB PRO 31 2HB PRO 31 -5.707 -18.352 -11.303 254 2HB PRO 31 1HB PRO 31 -4.276 -18.567 -10.305 255 1HG PRO 31 2HG PRO 31 -7.012 -17.739 -9.373 256 2HG PRO 31 1HG PRO 31 -5.959 -18.980 -8.659 257 1HD PRO 31 1HD PRO 31 -6.115 -16.482 -7.615 258 2HD PRO 31 2HD PRO 31 -4.565 -17.368 -7.655 259 H MET 32 H MET 32 -6.442 -14.585 -9.934 260 HA MET 32 HA MET 32 -8.047 -14.615 -12.227 261 1HB MET 32 2HB MET 32 -7.644 -12.957 -9.709 262 2HB MET 32 1HB MET 32 -8.827 -12.528 -10.881 263 1HG MET 32 2HG MET 32 -9.881 -14.837 -10.631 264 2HG MET 32 1HG MET 32 -8.772 -15.138 -9.317 265 1HE MET 32 2HE MET 32 -9.006 -14.427 -7.036 266 2HE MET 32 1HE MET 32 -8.545 -12.773 -7.440 267 3HE MET 32 3HE MET 32 -9.969 -13.077 -6.415 268 H ASN 33 H ASN 33 -5.088 -12.996 -11.290 269 HA ASN 33 HA ASN 33 -5.256 -11.297 -13.720 270 1HB ASN 33 2HB ASN 33 -4.079 -10.298 -11.053 271 2HB ASN 33 1HB ASN 33 -4.409 -9.386 -12.517 272 1HD2 ASN 33 2HD2 ASN 33 -7.958 -9.282 -12.128 273 2HD2 ASN 33 1HD2 ASN 33 -6.752 -9.588 -13.317 274 H LYS 34 H LYS 34 -3.184 -10.334 -14.340 275 HA LYS 34 HA LYS 34 -0.864 -12.073 -13.766 276 1HB LYS 34 2HB LYS 34 -0.322 -12.314 -16.121 277 2HB LYS 34 1HB LYS 34 -1.846 -12.996 -15.708 278 1HG LYS 34 2HG LYS 34 -2.403 -11.904 -17.704 279 2HG LYS 34 1HG LYS 34 -2.896 -10.718 -16.530 280 1HD LYS 34 2HD LYS 34 -1.717 -9.511 -18.167 281 2HD LYS 34 1HD LYS 34 -0.620 -9.625 -16.814 282 1HE LYS 34 1HE LYS 34 -0.337 -11.758 -18.924 283 2HE LYS 34 2HE LYS 34 0.118 -10.116 -19.371 284 1HZ LYS 34 2HZ LYS 34 1.558 -10.011 -17.494 285 2HZ LYS 34 1HZ LYS 34 1.152 -11.598 -17.067 286 3HZ LYS 34 3HZ LYS 34 1.962 -11.300 -18.527 287 H ALA 35 H ALA 35 1.120 -11.278 -14.197 288 HA ALA 35 HA ALA 35 2.048 -8.987 -13.348 289 1HB ALA 35 3HB ALA 35 3.515 -10.741 -14.320 290 2HB ALA 35 2HB ALA 35 3.127 -10.201 -15.945 291 3HB ALA 35 1HB ALA 35 4.001 -9.141 -14.840 292 H GLY 36 H GLY 36 1.514 -7.011 -13.526 293 1HA GLY 36 2HA GLY 36 1.680 -5.026 -14.838 294 2HA GLY 36 1HA GLY 36 0.655 -5.785 -16.089 295 H SER 37 H SER 37 -0.922 -7.154 -13.999 296 HA SER 37 HA SER 37 -2.765 -5.213 -13.116 297 1HB SER 37 2HB SER 37 -3.522 -7.108 -11.531 298 2HB SER 37 1HB SER 37 -3.709 -7.487 -13.142 299 HG SER 37 HG SER 37 -1.159 -8.702 -12.504 300 H PHE 38 H PHE 38 -2.562 -3.819 -11.529 301 HA PHE 38 HA PHE 38 -0.546 -4.334 -9.390 302 1HB PHE 38 2HB PHE 38 -1.195 -1.673 -10.900 303 2HB PHE 38 1HB PHE 38 -0.252 -1.727 -9.458 304 HD1 PHE 38 HD1 PHE 38 0.681 -4.292 -12.017 305 HD2 PHE 38 HD2 PHE 38 1.177 -0.322 -10.580 306 HE1 PHE 38 HE1 PHE 38 2.723 -4.020 -13.344 307 HE2 PHE 38 HE2 PHE 38 3.308 -0.162 -11.733 308 HZ PHE 38 HZ PHE 38 4.129 -2.057 -13.100 309 H LEU 39 H LEU 39 -0.837 -2.587 -7.774 310 HA LEU 39 HA LEU 39 -3.557 -1.554 -7.135 311 1HB LEU 39 2HB LEU 39 -1.880 -2.559 -4.787 312 2HB LEU 39 1HB LEU 39 -3.580 -2.517 -4.937 313 HG LEU 39 HG LEU 39 -2.037 -4.518 -6.539 314 1HD1 LEU 39 3HD1 LEU 39 -1.111 -4.407 -4.167 315 2HD1 LEU 39 2HD1 LEU 39 -2.717 -4.910 -3.660 316 3HD1 LEU 39 1HD1 LEU 39 -1.727 -5.956 -4.698 317 1HD2 LEU 39 1HD2 LEU 39 -4.589 -4.395 -6.563 318 2HD2 LEU 39 3HD2 LEU 39 -3.798 -5.949 -6.157 319 3HD2 LEU 39 2HD2 LEU 39 -4.447 -4.935 -4.850 320 H ILE 40 H ILE 40 -3.130 0.093 -5.076 321 HA ILE 40 HA ILE 40 -0.251 0.710 -4.858 322 HB ILE 40 HB ILE 40 -1.530 1.997 -6.977 323 1HG1 ILE 40 1HG1 ILE 40 0.320 3.860 -5.448 324 2HG1 ILE 40 2HG1 ILE 40 0.961 2.299 -5.864 325 1HG2 ILE 40 2HG2 ILE 40 -3.088 3.083 -5.323 326 2HG2 ILE 40 1HG2 ILE 40 -1.673 4.039 -4.818 327 3HG2 ILE 40 3HG2 ILE 40 -2.234 4.110 -6.484 328 1HD1 ILE 40 3HD1 ILE 40 0.255 2.677 -8.324 329 2HD1 ILE 40 2HD1 ILE 40 -0.209 4.271 -7.915 330 3HD1 ILE 40 1HD1 ILE 40 1.473 3.802 -7.726 331 H ARG 41 H ARG 41 -0.566 -0.107 -2.821 332 HA ARG 41 HA ARG 41 -2.738 0.817 -1.195 333 1HB ARG 41 2HB ARG 41 -1.868 -0.815 0.403 334 2HB ARG 41 1HB ARG 41 -1.839 -1.497 -1.183 335 1HG ARG 41 2HG ARG 41 0.171 -2.201 -0.351 336 2HG ARG 41 1HG ARG 41 0.708 -0.767 -1.184 337 1HD ARG 41 2HD ARG 41 0.949 0.466 0.898 338 2HD ARG 41 1HD ARG 41 -0.029 -0.706 1.797 339 HE ARG 41 HE ARG 41 2.148 -2.110 0.726 340 1HH1 ARG 41 1HH2 ARG 41 1.561 0.557 2.975 341 2HH1 ARG 41 2HH2 ARG 41 3.035 0.311 3.848 342 1HH2 ARG 41 2HH1 ARG 41 4.050 -2.434 1.925 343 2HH2 ARG 41 1HH1 ARG 41 4.439 -1.400 3.259 344 H GLU 42 H GLU 42 -1.735 1.263 1.298 345 HA GLU 42 HA GLU 42 0.519 3.166 0.989 346 1HB GLU 42 2HB GLU 42 -0.642 5.194 1.675 347 2HB GLU 42 1HB GLU 42 -1.636 4.430 0.458 348 1HG GLU 42 2HG GLU 42 -2.923 3.405 2.284 349 2HG GLU 42 1HG GLU 42 -2.155 4.447 3.478 350 H SER 43 H SER 43 0.908 4.519 2.866 351 HA SER 43 HA SER 43 1.214 2.739 5.177 352 1HB SER 43 2HB SER 43 3.275 3.807 3.953 353 2HB SER 43 1HB SER 43 2.631 5.281 4.092 354 HG SER 43 HG SER 43 3.149 4.554 6.880 355 H GLU 44 H GLU 44 -0.218 3.141 6.775 356 HA GLU 44 HA GLU 44 -1.927 5.484 6.590 357 1HB GLU 44 2HB GLU 44 -3.190 4.289 8.404 358 2HB GLU 44 1HB GLU 44 -2.962 3.538 6.850 359 1HG GLU 44 2HG GLU 44 -2.694 1.917 8.781 360 2HG GLU 44 1HG GLU 44 -1.307 1.966 7.717 361 H SER 45 H SER 45 0.826 5.929 7.377 362 HA SER 45 HA SER 45 0.559 7.133 10.105 363 1HB SER 45 2HB SER 45 3.037 6.862 10.204 364 2HB SER 45 1HB SER 45 2.247 5.386 9.984 365 HG SER 45 HG SER 45 3.130 6.346 7.287 366 H ASN 46 H ASN 46 1.423 7.546 6.730 367 HA ASN 46 HA ASN 46 2.252 10.371 7.116 368 1HB ASN 46 2HB ASN 46 3.187 9.932 4.675 369 2HB ASN 46 1HB ASN 46 4.113 9.366 6.002 370 1HD2 ASN 46 2HD2 ASN 46 4.148 6.141 5.149 371 2HD2 ASN 46 1HD2 ASN 46 4.833 7.483 5.980 372 H LYS 47 H LYS 47 1.927 11.693 5.193 373 HA LYS 47 HA LYS 47 -0.828 11.570 4.384 374 1HB LYS 47 2HB LYS 47 -0.286 14.118 3.828 375 2HB LYS 47 1HB LYS 47 -0.603 13.549 5.447 376 1HG LYS 47 2HG LYS 47 1.289 15.030 5.374 377 2HG LYS 47 1HG LYS 47 1.699 13.434 5.969 378 1HD LYS 47 2HD LYS 47 2.903 12.854 3.990 379 2HD LYS 47 1HD LYS 47 2.082 14.047 3.033 380 1HE LYS 47 1HE LYS 47 4.336 14.845 3.363 381 2HE LYS 47 2HE LYS 47 3.224 15.882 4.245 382 1HZ LYS 47 1HZ LYS 47 4.840 13.706 5.413 383 2HZ LYS 47 3HZ LYS 47 5.176 15.371 5.512 384 3HZ LYS 47 2HZ LYS 47 3.788 14.741 6.253 385 H GLY 48 H GLY 48 0.042 9.820 2.926 386 1HA GLY 48 2HA GLY 48 -0.536 9.699 0.574 387 2HA GLY 48 1HA GLY 48 0.476 11.135 0.250 388 H ALA 49 H ALA 49 1.668 8.764 2.484 389 HA ALA 49 HA ALA 49 3.674 8.045 0.377 390 1HB ALA 49 3HB ALA 49 4.326 8.385 3.003 391 2HB ALA 49 2HB ALA 49 4.053 6.611 2.961 392 3HB ALA 49 1HB ALA 49 5.207 7.362 1.887 393 H PHE 50 H PHE 50 2.433 7.011 -1.026 394 HA PHE 50 HA PHE 50 0.878 4.678 -0.275 395 1HB PHE 50 2HB PHE 50 1.376 6.226 -2.852 396 2HB PHE 50 1HB PHE 50 0.734 4.619 -2.968 397 HD1 PHE 50 HD2 PHE 50 0.118 7.930 -1.346 398 HD2 PHE 50 HD1 PHE 50 -1.538 4.239 -2.633 399 HE1 PHE 50 HE2 PHE 50 -2.132 8.821 -0.957 400 HE2 PHE 50 HE1 PHE 50 -3.811 5.124 -2.287 401 HZ PHE 50 HZ PHE 50 -4.112 7.438 -1.461 402 H SER 51 H SER 51 1.348 2.778 -2.135 403 HA SER 51 HA SER 51 4.130 2.203 -2.551 404 1HB SER 51 2HB SER 51 2.622 0.216 -0.740 405 2HB SER 51 1HB SER 51 4.265 0.183 -1.058 406 HG SER 51 HG SER 51 3.749 2.621 0.584 407 H LEU 52 H LEU 52 4.345 1.088 -4.288 408 HA LEU 52 HA LEU 52 1.900 0.019 -5.516 409 1HB LEU 52 2HB LEU 52 3.435 1.710 -6.561 410 2HB LEU 52 1HB LEU 52 4.711 0.559 -6.615 411 HG LEU 52 HG LEU 52 3.450 -0.783 -8.273 412 1HD1 LEU 52 3HD1 LEU 52 1.200 0.839 -7.350 413 2HD1 LEU 52 2HD1 LEU 52 1.372 0.992 -9.067 414 3HD1 LEU 52 1HD1 LEU 52 1.213 -0.612 -8.337 415 1HD2 LEU 52 1HD2 LEU 52 3.772 2.205 -8.857 416 2HD2 LEU 52 3HD2 LEU 52 4.923 0.900 -9.185 417 3HD2 LEU 52 2HD2 LEU 52 3.405 1.049 -10.101 418 H SER 53 H SER 53 1.695 -1.903 -6.499 419 HA SER 53 HA SER 53 3.538 -4.150 -5.815 420 1HB SER 53 1HB SER 53 0.470 -4.409 -5.620 421 2HB SER 53 2HB SER 53 1.642 -5.532 -5.113 422 HG SER 53 HG SER 53 1.777 -3.104 -3.339 423 H VAL 54 H VAL 54 3.693 -5.635 -7.337 424 HA VAL 54 HA VAL 54 1.780 -5.679 -9.598 425 HB VAL 54 HB VAL 54 4.823 -5.643 -10.155 426 1HG1 VAL 54 3HG1 VAL 54 2.479 -5.703 -12.031 427 2HG1 VAL 54 1HG1 VAL 54 4.143 -5.259 -12.493 428 3HG1 VAL 54 2HG1 VAL 54 3.785 -6.828 -11.849 429 1HG2 VAL 54 1HG2 VAL 54 2.997 -3.257 -10.086 430 2HG2 VAL 54 3HG2 VAL 54 4.465 -3.525 -9.209 431 3HG2 VAL 54 2HG2 VAL 54 4.585 -3.339 -10.926 432 H LYS 55 H LYS 55 1.724 -7.880 -10.617 433 HA LYS 55 HA LYS 55 2.825 -9.898 -8.819 434 1HB LYS 55 2HB LYS 55 0.605 -9.850 -10.014 435 2HB LYS 55 1HB LYS 55 1.493 -10.029 -11.512 436 1HG LYS 55 2HG LYS 55 2.295 -12.282 -10.631 437 2HG LYS 55 1HG LYS 55 1.170 -12.085 -9.293 438 1HD LYS 55 2HD LYS 55 -0.713 -11.706 -10.995 439 2HD LYS 55 1HD LYS 55 0.476 -11.925 -12.229 440 1HE LYS 55 1HE LYS 55 -0.663 -14.017 -12.124 441 2HE LYS 55 2HE LYS 55 0.863 -14.293 -11.311 442 1HZ LYS 55 1HZ LYS 55 -0.309 -13.894 -9.222 443 2HZ LYS 55 3HZ LYS 55 -1.770 -13.779 -10.074 444 3HZ LYS 55 2HZ LYS 55 -0.883 -15.236 -10.068 445 H ASP 56 H ASP 56 5.403 -10.060 -9.095 446 HA ASP 56 HA ASP 56 6.152 -9.805 -11.907 447 1HB ASP 56 2HB ASP 56 7.620 -9.515 -9.551 448 2HB ASP 56 1HB ASP 56 8.266 -10.982 -10.187 449 H ILE 57 H ILE 57 5.716 -11.269 -13.289 450 HA ILE 57 HA ILE 57 5.736 -14.141 -12.534 451 HB ILE 57 HB ILE 57 4.627 -12.744 -14.969 452 1HG1 ILE 57 1HG1 ILE 57 3.345 -14.114 -12.564 453 2HG1 ILE 57 2HG1 ILE 57 3.272 -12.411 -12.941 454 1HG2 ILE 57 2HG2 ILE 57 5.512 -15.027 -15.579 455 2HG2 ILE 57 1HG2 ILE 57 4.543 -15.732 -14.290 456 3HG2 ILE 57 3HG2 ILE 57 3.778 -14.974 -15.687 457 1HD1 ILE 57 3HD1 ILE 57 2.022 -13.020 -15.085 458 2HD1 ILE 57 2HD1 ILE 57 1.979 -14.689 -14.479 459 3HD1 ILE 57 1HD1 ILE 57 1.163 -13.422 -13.599 460 H THR 58 H THR 58 7.551 -15.017 -12.621 461 HA THR 58 HA THR 58 9.329 -14.718 -14.967 462 HB THR 58 HB THR 58 10.206 -13.326 -13.201 463 HG1 THR 58 HG1 THR 58 11.961 -15.737 -13.290 464 1HG2 THR 58 3HG2 THR 58 9.654 -15.527 -11.139 465 2HG2 THR 58 2HG2 THR 58 10.645 -14.097 -10.816 466 3HG2 THR 58 1HG2 THR 58 8.990 -13.934 -11.296 467 H THR 59 H THR 59 11.054 -16.505 -14.909 468 HA THR 59 HA THR 59 9.570 -18.964 -14.652 469 HB THR 59 HB THR 59 10.962 -18.910 -16.478 470 HG1 THR 59 HG1 THR 59 12.062 -21.029 -14.674 471 1HG2 THR 59 1HG2 THR 59 13.444 -18.184 -14.798 472 2HG2 THR 59 3HG2 THR 59 13.469 -18.704 -16.471 473 3HG2 THR 59 2HG2 THR 59 12.591 -17.289 -16.062 474 H GLN 60 H GLN 60 11.126 -17.163 -12.318 475 HA GLN 60 HA GLN 60 12.198 -19.431 -10.798 476 1HB GLN 60 2HB GLN 60 11.789 -16.503 -10.123 477 2HB GLN 60 1HB GLN 60 12.205 -17.641 -8.897 478 1HG GLN 60 2HG GLN 60 14.300 -18.249 -9.931 479 2HG GLN 60 1HG GLN 60 13.986 -17.341 -11.375 480 1HE2 GLN 60 2HE2 GLN 60 16.293 -15.320 -9.420 481 2HE2 GLN 60 1HE2 GLN 60 16.250 -16.814 -10.290 482 H GLY 61 H GLY 61 9.318 -17.397 -10.878 483 1HA GLY 61 2HA GLY 61 7.439 -19.162 -10.133 484 2HA GLY 61 1HA GLY 61 8.111 -18.627 -8.534 485 H GLU 62 H GLU 62 5.422 -18.245 -9.199 486 HA GLU 62 HA GLU 62 4.992 -15.623 -10.198 487 1HB GLU 62 2HB GLU 62 3.492 -17.872 -9.974 488 2HB GLU 62 1HB GLU 62 3.032 -17.172 -8.433 489 1HG GLU 62 2HG GLU 62 2.327 -15.081 -9.620 490 2HG GLU 62 1HG GLU 62 2.778 -15.834 -11.147 491 H VAL 63 H VAL 63 5.721 -13.878 -9.058 492 HA VAL 63 HA VAL 63 5.243 -13.843 -6.117 493 HB VAL 63 HB VAL 63 7.228 -12.522 -5.848 494 1HG1 VAL 63 3HG1 VAL 63 7.576 -14.964 -5.860 495 2HG1 VAL 63 2HG1 VAL 63 8.003 -14.901 -7.568 496 3HG1 VAL 63 1HG1 VAL 63 9.007 -14.079 -6.384 497 1HG2 VAL 63 1HG2 VAL 63 7.110 -11.295 -8.153 498 2HG2 VAL 63 3HG2 VAL 63 8.701 -11.743 -7.581 499 3HG2 VAL 63 2HG2 VAL 63 7.917 -12.716 -8.808 500 H VAL 64 H VAL 64 5.796 -11.323 -5.703 501 HA VAL 64 HA VAL 64 4.212 -9.610 -7.447 502 HB VAL 64 HB VAL 64 3.606 -10.201 -4.591 503 1HG1 VAL 64 2HG1 VAL 64 3.038 -7.513 -5.907 504 2HG1 VAL 64 1HG1 VAL 64 2.215 -8.134 -4.514 505 3HG1 VAL 64 3HG1 VAL 64 3.935 -7.729 -4.362 506 1HG2 VAL 64 2HG2 VAL 64 2.193 -10.948 -6.627 507 2HG2 VAL 64 1HG2 VAL 64 1.334 -9.994 -5.395 508 3HG2 VAL 64 3HG2 VAL 64 1.888 -9.208 -6.858 509 H LYS 65 H LYS 65 4.776 -7.279 -6.412 510 HA LYS 65 HA LYS 65 7.639 -7.081 -5.739 511 1HB LYS 65 2HB LYS 65 6.182 -5.555 -7.997 512 2HB LYS 65 1HB LYS 65 7.792 -5.156 -7.412 513 1HG LYS 65 2HG LYS 65 7.074 -7.864 -8.533 514 2HG LYS 65 1HG LYS 65 7.650 -6.657 -9.568 515 1HD LYS 65 2HD LYS 65 9.269 -7.472 -7.103 516 2HD LYS 65 1HD LYS 65 9.400 -8.311 -8.609 517 1HE LYS 65 1HE LYS 65 10.039 -6.140 -9.758 518 2HE LYS 65 2HE LYS 65 10.029 -5.349 -8.180 519 1HZ LYS 65 2HZ LYS 65 11.701 -6.910 -7.459 520 2HZ LYS 65 1HZ LYS 65 11.693 -7.630 -8.995 521 3HZ LYS 65 3HZ LYS 65 12.201 -6.022 -8.821 522 H HIS 66 H HIS 66 8.254 -4.866 -4.962 523 HA HIS 66 HA HIS 66 5.913 -3.429 -3.879 524 1HB HIS 66 2HB HIS 66 8.418 -4.164 -2.232 525 2HB HIS 66 1HB HIS 66 6.934 -3.438 -1.645 526 HD1 HIS 66 HD1 HIS 66 8.503 -6.683 -2.360 527 HD2 HIS 66 HD2 HIS 66 4.630 -5.222 -1.657 528 HE1 HIS 66 HE1 HIS 66 7.031 -8.684 -1.827 529 H TYR 67 H TYR 67 6.156 -1.319 -3.795 530 HA TYR 67 HA TYR 67 8.797 -0.026 -4.017 531 1HB TYR 67 2HB TYR 67 6.531 1.012 -5.795 532 2HB TYR 67 1HB TYR 67 8.219 1.401 -5.877 533 HD1 TYR 67 HD2 TYR 67 5.765 -1.289 -6.487 534 HD2 TYR 67 HD1 TYR 67 9.695 0.135 -7.258 535 HE1 TYR 67 HE2 TYR 67 6.053 -3.140 -7.874 536 HE2 TYR 67 HE1 TYR 67 10.071 -1.699 -8.818 537 HH TYR 67 HH TYR 67 7.910 -3.563 -10.266 538 H LYS 68 H LYS 68 8.486 2.396 -3.601 539 HA LYS 68 HA LYS 68 6.109 2.864 -1.877 540 1HB LYS 68 2HB LYS 68 7.216 3.378 0.035 541 2HB LYS 68 1HB LYS 68 8.089 1.986 -0.547 542 1HG LYS 68 2HG LYS 68 8.889 4.868 -0.744 543 2HG LYS 68 1HG LYS 68 9.553 3.676 0.334 544 1HD LYS 68 2HD LYS 68 10.409 2.347 -1.626 545 2HD LYS 68 1HD LYS 68 9.796 3.562 -2.723 546 1HE LYS 68 1HE LYS 68 11.180 5.287 -1.544 547 2HE LYS 68 2HE LYS 68 11.889 3.980 -0.591 548 1HZ LYS 68 3HZ LYS 68 12.613 2.962 -2.651 549 2HZ LYS 68 2HZ LYS 68 11.971 4.256 -3.536 550 3HZ LYS 68 1HZ LYS 68 13.268 4.521 -2.467 551 H ILE 69 H ILE 69 5.047 4.276 -2.913 552 HA ILE 69 HA ILE 69 6.440 6.533 -4.174 553 HB ILE 69 HB ILE 69 3.871 7.242 -4.348 554 1HG1 ILE 69 1HG1 ILE 69 3.169 5.154 -3.236 555 2HG1 ILE 69 2HG1 ILE 69 2.282 5.680 -4.612 556 1HG2 ILE 69 1HG2 ILE 69 5.411 7.206 -6.189 557 2HG2 ILE 69 3HG2 ILE 69 4.889 5.539 -6.527 558 3HG2 ILE 69 2HG2 ILE 69 3.708 6.869 -6.459 559 1HD1 ILE 69 3HD1 ILE 69 4.268 3.385 -4.727 560 2HD1 ILE 69 2HD1 ILE 69 2.499 3.290 -4.679 561 3HD1 ILE 69 1HD1 ILE 69 3.285 4.000 -6.070 562 H ARG 70 H ARG 70 7.058 8.165 -3.041 563 HA ARG 70 HA ARG 70 5.929 8.790 -0.413 564 1HB ARG 70 2HB ARG 70 8.013 10.163 -2.172 565 2HB ARG 70 1HB ARG 70 7.567 10.679 -0.561 566 1HG ARG 70 2HG ARG 70 8.029 8.009 -0.087 567 2HG ARG 70 1HG ARG 70 9.196 8.318 -1.373 568 1HD ARG 70 2HD ARG 70 9.993 10.329 -0.028 569 2HD ARG 70 1HD ARG 70 8.867 9.804 1.248 570 HE ARG 70 HE ARG 70 10.334 7.548 0.726 571 1HH1 ARG 70 1HH2 ARG 70 11.151 10.866 1.564 572 2HH1 ARG 70 2HH2 ARG 70 12.592 10.443 2.427 573 1HH2 ARG 70 2HH1 ARG 70 12.239 7.007 1.854 574 2HH2 ARG 70 1HH1 ARG 70 13.216 8.236 2.580 575 H SER 71 H SER 71 5.470 11.248 -0.146 576 HA SER 71 HA SER 71 3.864 12.184 -2.475 577 1HB SER 71 2HB SER 71 2.370 13.152 -0.489 578 2HB SER 71 1HB SER 71 2.157 11.585 -1.059 579 HG SER 71 HG SER 71 3.948 11.272 1.252 580 H LEU 72 H LEU 72 4.716 14.000 -3.293 581 HA LEU 72 HA LEU 72 5.988 15.905 -1.477 582 1HB LEU 72 2HB LEU 72 6.330 15.831 -4.480 583 2HB LEU 72 1HB LEU 72 7.417 16.428 -3.263 584 HG LEU 72 HG LEU 72 8.355 14.580 -4.067 585 1HD1 LEU 72 3HD1 LEU 72 7.450 14.480 -1.320 586 2HD1 LEU 72 2HD1 LEU 72 7.727 12.846 -1.916 587 3HD1 LEU 72 1HD1 LEU 72 8.992 14.088 -1.990 588 1HD2 LEU 72 2HD2 LEU 72 6.036 13.714 -5.039 589 2HD2 LEU 72 1HD2 LEU 72 7.390 12.646 -4.919 590 3HD2 LEU 72 3HD2 LEU 72 6.143 12.582 -3.688 591 H ASP 73 H ASP 73 5.339 17.709 -1.317 592 HA ASP 73 HA ASP 73 2.762 18.608 -2.290 593 1HB ASP 73 2HB ASP 73 3.429 20.860 -1.273 594 2HB ASP 73 1HB ASP 73 3.540 19.515 -0.151 595 H ASN 74 H ASN 74 6.012 18.960 -3.316 596 HA ASN 74 HA ASN 74 5.288 20.807 -5.503 597 1HB ASN 74 2HB ASN 74 7.803 21.228 -5.536 598 2HB ASN 74 1HB ASN 74 7.046 21.611 -4.002 599 1HD2 ASN 74 2HD2 ASN 74 8.957 19.476 -2.074 600 2HD2 ASN 74 1HD2 ASN 74 7.796 20.741 -2.185 601 H GLY 75 H GLY 75 5.407 17.610 -5.150 602 1HA GLY 75 2HA GLY 75 6.048 17.240 -7.999 603 2HA GLY 75 1HA GLY 75 7.276 16.537 -6.900 604 H GLY 76 H GLY 76 3.896 16.425 -6.042 605 1HA GLY 76 2HA GLY 76 2.293 14.823 -6.086 606 2HA GLY 76 1HA GLY 76 3.102 14.183 -7.534 607 H TYR 77 H TYR 77 4.731 12.609 -7.410 608 HA TYR 77 HA TYR 77 4.988 11.209 -4.882 609 1HB TYR 77 2HB TYR 77 3.707 9.674 -7.275 610 2HB TYR 77 1HB TYR 77 4.231 9.005 -5.761 611 HD1 TYR 77 HD2 TYR 77 1.799 11.277 -7.255 612 HD2 TYR 77 HD1 TYR 77 2.874 8.998 -3.883 613 HE1 TYR 77 HE2 TYR 77 -0.439 11.641 -6.425 614 HE2 TYR 77 HE1 TYR 77 0.779 9.394 -2.834 615 HH TYR 77 HH TYR 77 -1.940 9.926 -4.148 616 H TYR 78 H TYR 78 6.664 10.033 -4.726 617 HA TYR 78 HA TYR 78 8.198 9.409 -7.221 618 1HB TYR 78 2HB TYR 78 10.185 10.413 -6.696 619 2HB TYR 78 1HB TYR 78 9.061 11.595 -6.148 620 HD1 TYR 78 HD2 TYR 78 11.374 8.914 -5.047 621 HD2 TYR 78 HD1 TYR 78 9.103 12.313 -3.802 622 HE1 TYR 78 HE2 TYR 78 12.569 8.897 -3.007 623 HE2 TYR 78 HE1 TYR 78 10.286 12.393 -1.757 624 HH TYR 78 HH TYR 78 13.128 11.313 -1.115 625 H ILE 79 H ILE 79 9.068 7.597 -7.392 626 HA ILE 79 HA ILE 79 9.123 5.722 -5.099 627 HB ILE 79 HB ILE 79 9.336 3.979 -7.122 628 1HG1 ILE 79 1HG1 ILE 79 7.736 6.301 -8.220 629 2HG1 ILE 79 2HG1 ILE 79 9.013 5.394 -8.982 630 1HG2 ILE 79 3HG2 ILE 79 7.979 3.678 -5.208 631 2HG2 ILE 79 2HG2 ILE 79 6.757 4.785 -5.818 632 3HG2 ILE 79 1HG2 ILE 79 7.107 3.259 -6.659 633 1HD1 ILE 79 3HD1 ILE 79 6.153 4.448 -8.295 634 2HD1 ILE 79 2HD1 ILE 79 6.703 4.907 -9.864 635 3HD1 ILE 79 1HD1 ILE 79 7.327 3.423 -9.093 636 H SER 80 H SER 80 10.989 7.427 -7.253 637 HA SER 80 HA SER 80 13.436 6.619 -5.963 638 1HB SER 80 2HB SER 80 13.385 5.012 -7.747 639 2HB SER 80 1HB SER 80 12.603 5.993 -8.821 640 HG SER 80 HG SER 80 15.341 7.066 -8.616 641 HA PRO 81 HA PRO 81 12.923 10.957 -5.934 642 1HB PRO 81 2HB PRO 81 15.767 11.556 -5.588 643 2HB PRO 81 1HB PRO 81 14.383 11.773 -4.489 644 1HG PRO 81 2HG PRO 81 16.295 9.826 -4.091 645 2HG PRO 81 1HG PRO 81 14.624 9.664 -3.563 646 1HD PRO 81 1HD PRO 81 15.946 8.523 -5.919 647 2HD PRO 81 2HD PRO 81 14.728 7.755 -4.872 648 H ARG 82 H ARG 82 15.238 9.883 -8.325 649 HA ARG 82 HA ARG 82 14.985 12.518 -9.674 650 1HB ARG 82 2HB ARG 82 16.361 11.691 -11.509 651 2HB ARG 82 1HB ARG 82 17.151 11.668 -9.970 652 1HG ARG 82 2HG ARG 82 15.801 9.156 -10.973 653 2HG ARG 82 1HG ARG 82 17.298 9.617 -11.679 654 1HD ARG 82 2HD ARG 82 18.599 9.308 -9.769 655 2HD ARG 82 1HD ARG 82 17.288 9.648 -8.649 656 HE ARG 82 HE ARG 82 16.748 7.252 -10.134 657 1HH1 ARG 82 1HH2 ARG 82 18.815 8.559 -7.592 658 2HH1 ARG 82 2HH2 ARG 82 19.055 7.028 -6.817 659 1HH2 ARG 82 2HH1 ARG 82 17.082 5.244 -9.082 660 2HH2 ARG 82 1HH1 ARG 82 18.061 5.155 -7.661 661 H ILE 83 H ILE 83 13.177 9.631 -9.614 662 HA ILE 83 HA ILE 83 11.681 10.506 -12.026 663 HB ILE 83 HB ILE 83 10.748 8.287 -12.190 664 1HG1 ILE 83 1HG1 ILE 83 13.141 7.042 -10.972 665 2HG1 ILE 83 2HG1 ILE 83 12.002 7.723 -9.816 666 1HG2 ILE 83 1HG2 ILE 83 12.399 9.075 -13.808 667 2HG2 ILE 83 3HG2 ILE 83 13.700 8.389 -12.805 668 3HG2 ILE 83 2HG2 ILE 83 12.467 7.338 -13.527 669 1HD1 ILE 83 3HD1 ILE 83 11.267 5.926 -12.130 670 2HD1 ILE 83 2HD1 ILE 83 11.431 5.336 -10.453 671 3HD1 ILE 83 1HD1 ILE 83 10.175 6.542 -10.864 672 H THR 84 H THR 84 10.646 11.856 -11.131 673 HA THR 84 HA THR 84 8.651 11.263 -9.016 674 HB THR 84 HB THR 84 9.282 13.993 -10.162 675 HG1 THR 84 HG1 THR 84 11.515 12.690 -8.642 676 1HG2 THR 84 2HG2 THR 84 8.499 13.081 -7.405 677 2HG2 THR 84 1HG2 THR 84 9.057 14.731 -7.746 678 3HG2 THR 84 3HG2 THR 84 7.707 14.054 -8.623 679 H PHE 85 H PHE 85 6.638 12.343 -9.312 680 HA PHE 85 HA PHE 85 5.709 12.701 -12.116 681 1HB PHE 85 2HB PHE 85 4.476 10.513 -10.348 682 2HB PHE 85 1HB PHE 85 4.021 10.879 -11.992 683 HD1 PHE 85 HD2 PHE 85 5.572 10.271 -13.885 684 HD2 PHE 85 HD1 PHE 85 6.471 9.225 -9.834 685 HE1 PHE 85 HE2 PHE 85 7.271 8.673 -14.665 686 HE2 PHE 85 HE1 PHE 85 8.160 7.620 -10.623 687 HZ PHE 85 HZ PHE 85 8.600 7.360 -13.030 688 HA PRO 86 HA PRO 86 3.342 15.746 -9.874 689 1HB PRO 86 2HB PRO 86 1.274 16.270 -11.653 690 2HB PRO 86 1HB PRO 86 2.940 16.771 -11.903 691 1HG PRO 86 2HG PRO 86 1.588 14.346 -13.062 692 2HG PRO 86 1HG PRO 86 2.607 15.516 -13.911 693 1HD PRO 86 1HD PRO 86 3.629 13.131 -13.067 694 2HD PRO 86 2HD PRO 86 4.612 14.604 -13.005 695 H THR 87 H THR 87 2.061 12.696 -10.656 696 HA THR 87 HA THR 87 0.508 12.526 -8.285 697 HB THR 87 HB THR 87 -1.250 13.602 -9.371 698 HG1 THR 87 HG1 THR 87 -1.997 10.721 -9.506 699 1HG2 THR 87 1HG2 THR 87 -0.588 12.157 -11.950 700 2HG2 THR 87 3HG2 THR 87 -2.077 13.108 -11.700 701 3HG2 THR 87 2HG2 THR 87 -0.511 13.837 -11.515 702 H LEU 88 H LEU 88 -0.563 10.267 -8.259 703 HA LEU 88 HA LEU 88 1.336 8.395 -9.251 704 1HB LEU 88 2HB LEU 88 -1.571 7.706 -8.576 705 2HB LEU 88 1HB LEU 88 -0.283 6.581 -8.786 706 HG LEU 88 HG LEU 88 -0.422 8.681 -6.658 707 1HD1 LEU 88 2HD1 LEU 88 -2.229 6.965 -6.557 708 2HD1 LEU 88 1HD1 LEU 88 -0.993 5.728 -6.733 709 3HD1 LEU 88 3HD1 LEU 88 -1.071 6.670 -5.230 710 1HD2 LEU 88 3HD2 LEU 88 1.351 6.203 -6.903 711 2HD2 LEU 88 2HD2 LEU 88 1.901 7.887 -7.074 712 3HD2 LEU 88 1HD2 LEU 88 1.291 7.296 -5.526 713 H GLN 89 H GLN 89 -1.659 9.827 -10.646 714 HA GLN 89 HA GLN 89 -1.998 7.497 -12.390 715 1HB GLN 89 2HB GLN 89 -3.870 8.250 -13.204 716 2HB GLN 89 1HB GLN 89 -3.857 8.854 -11.565 717 1HG GLN 89 2HG GLN 89 -2.774 10.922 -13.185 718 2HG GLN 89 1HG GLN 89 -4.092 10.160 -14.105 719 1HE2 GLN 89 2HE2 GLN 89 -4.778 12.064 -10.492 720 2HE2 GLN 89 1HE2 GLN 89 -3.257 11.352 -10.913 721 H ALA 90 H ALA 90 -0.257 10.344 -12.584 722 HA ALA 90 HA ALA 90 0.429 10.097 -15.427 723 1HB ALA 90 2HB ALA 90 0.589 12.321 -14.159 724 2HB ALA 90 1HB ALA 90 1.903 11.668 -13.180 725 3HB ALA 90 3HB ALA 90 2.139 11.930 -14.900 726 H LEU 91 H LEU 91 1.355 8.547 -12.634 727 HA LEU 91 HA LEU 91 3.955 7.553 -13.501 728 1HB LEU 91 2HB LEU 91 4.078 8.209 -11.342 729 2HB LEU 91 1HB LEU 91 2.447 8.072 -10.990 730 HG LEU 91 HG LEU 91 4.407 5.741 -10.998 731 1HD1 LEU 91 2HD1 LEU 91 4.900 7.524 -9.235 732 2HD1 LEU 91 1HD1 LEU 91 3.238 7.316 -8.654 733 3HD1 LEU 91 3HD1 LEU 91 4.375 5.983 -8.566 734 1HD2 LEU 91 3HD2 LEU 91 1.528 6.022 -9.970 735 2HD2 LEU 91 2HD2 LEU 91 2.139 4.837 -11.157 736 3HD2 LEU 91 1HD2 LEU 91 2.595 4.712 -9.481 737 H VAL 92 H VAL 92 0.544 6.565 -12.994 738 HA VAL 92 HA VAL 92 1.051 3.825 -13.617 739 HB VAL 92 HB VAL 92 -1.684 5.164 -13.488 740 1HG1 VAL 92 2HG1 VAL 92 -1.626 2.684 -13.797 741 2HG1 VAL 92 1HG1 VAL 92 -0.681 2.585 -12.245 742 3HG1 VAL 92 3HG1 VAL 92 -2.318 3.158 -12.245 743 1HG2 VAL 92 1HG2 VAL 92 0.179 5.102 -11.209 744 2HG2 VAL 92 3HG2 VAL 92 -1.355 5.933 -11.374 745 3HG2 VAL 92 2HG2 VAL 92 -1.265 4.310 -10.823 746 H GLN 93 H GLN 93 1.031 6.580 -15.411 747 HA GLN 93 HA GLN 93 -0.454 5.584 -17.731 748 1HB GLN 93 2HB GLN 93 -0.596 7.651 -18.607 749 2HB GLN 93 1HB GLN 93 -0.566 8.075 -16.924 750 1HG GLN 93 2HG GLN 93 1.908 8.605 -17.144 751 2HG GLN 93 1HG GLN 93 1.796 8.295 -18.856 752 1HE2 GLN 93 2HE2 GLN 93 -0.607 11.112 -19.252 753 2HE2 GLN 93 1HE2 GLN 93 -0.699 9.400 -19.467 754 H HIS 94 H HIS 94 2.676 6.770 -16.648 755 HA HIS 94 HA HIS 94 4.288 6.271 -18.859 756 1HB HIS 94 2HB HIS 94 5.051 7.612 -16.923 757 2HB HIS 94 1HB HIS 94 4.832 6.271 -15.830 758 HD1 HIS 94 HD1 HIS 94 7.277 6.157 -15.078 759 HD2 HIS 94 HD2 HIS 94 6.827 5.801 -19.234 760 HE1 HIS 94 HE1 HIS 94 9.520 5.457 -16.001 761 H TYR 95 H TYR 95 3.491 4.269 -16.037 762 HA TYR 95 HA TYR 95 4.975 2.029 -17.116 763 1HB TYR 95 2HB TYR 95 3.191 2.146 -14.669 764 2HB TYR 95 1HB TYR 95 4.233 0.805 -15.094 765 HD1 TYR 95 HD1 TYR 95 6.762 2.090 -16.007 766 HD2 TYR 95 HD2 TYR 95 4.129 3.185 -12.817 767 HE1 TYR 95 HE1 TYR 95 8.583 3.189 -14.963 768 HE2 TYR 95 HE2 TYR 95 5.898 4.294 -11.697 769 HH TYR 95 HH TYR 95 8.952 3.741 -11.921 770 H SER 96 H SER 96 1.767 3.155 -17.711 771 HA SER 96 HA SER 96 0.828 0.448 -18.368 772 1HB SER 96 2HB SER 96 -0.004 3.101 -19.790 773 2HB SER 96 1HB SER 96 -0.816 1.633 -19.935 774 HG SER 96 HG SER 96 -1.094 2.574 -17.112 775 H LYS 97 H LYS 97 2.973 2.629 -19.922 776 HA LYS 97 HA LYS 97 2.708 1.455 -22.548 777 1HB LYS 97 2HB LYS 97 4.699 3.429 -21.392 778 2HB LYS 97 1HB LYS 97 4.553 3.048 -23.103 779 1HG LYS 97 2HG LYS 97 2.394 4.235 -21.340 780 2HG LYS 97 1HG LYS 97 3.310 5.091 -22.577 781 1HD LYS 97 2HD LYS 97 2.355 3.297 -24.195 782 2HD LYS 97 1HD LYS 97 1.273 2.879 -22.885 783 1HE LYS 97 1HE LYS 97 0.301 5.158 -22.869 784 2HE LYS 97 2HE LYS 97 1.452 5.693 -24.094 785 1HZ LYS 97 1HZ LYS 97 -0.597 3.611 -24.457 786 2HZ LYS 97 3HZ LYS 97 -0.661 5.206 -25.038 787 3HZ LYS 97 2HZ LYS 97 0.514 4.133 -25.622 788 H LYS 98 H LYS 98 4.902 1.268 -19.997 789 HA LYS 98 HA LYS 98 6.188 -1.137 -20.759 790 1HB LYS 98 2HB LYS 98 8.212 -0.830 -21.542 791 2HB LYS 98 1HB LYS 98 7.296 0.320 -22.451 792 1HG LYS 98 2HG LYS 98 9.007 0.834 -20.031 793 2HG LYS 98 1HG LYS 98 9.488 1.164 -21.671 794 1HD LYS 98 2HD LYS 98 7.265 2.594 -20.126 795 2HD LYS 98 1HD LYS 98 8.817 3.269 -20.563 796 1HE LYS 98 1HE LYS 98 8.230 2.994 -23.004 797 2HE LYS 98 2HE LYS 98 6.635 2.425 -22.508 798 1HZ LYS 98 2HZ LYS 98 6.295 4.519 -21.395 799 2HZ LYS 98 1HZ LYS 98 7.834 5.045 -21.873 800 3HZ LYS 98 3HZ LYS 98 6.640 4.754 -23.045 801 H GLY 99 H GLY 99 7.701 -1.926 -19.170 802 1HA GLY 99 2HA GLY 99 7.184 -0.768 -16.480 803 2HA GLY 99 1HA GLY 99 7.782 -2.429 -16.870 804 H ASP 100 H ASP 100 8.739 0.656 -17.952 805 HA ASP 100 HA ASP 100 11.338 0.640 -18.367 806 1HB ASP 100 2HB ASP 100 9.747 2.519 -18.766 807 2HB ASP 100 1HB ASP 100 9.758 2.946 -17.104 808 H GLY 101 H GLY 101 10.174 1.885 -15.703 809 1HA GLY 101 2HA GLY 101 12.578 1.306 -13.963 810 2HA GLY 101 1HA GLY 101 11.526 2.739 -13.719 811 H LEU 102 H LEU 102 10.203 -0.393 -14.408 812 HA LEU 102 HA LEU 102 9.592 -0.985 -11.587 813 1HB LEU 102 2HB LEU 102 7.734 -0.768 -14.015 814 2HB LEU 102 1HB LEU 102 7.245 -1.804 -12.760 815 HG LEU 102 HG LEU 102 7.466 1.117 -12.819 816 1HD1 LEU 102 2HD1 LEU 102 5.308 -0.011 -13.190 817 2HD1 LEU 102 1HD1 LEU 102 5.463 -0.758 -11.590 818 3HD1 LEU 102 3HD1 LEU 102 5.257 0.984 -11.721 819 1HD2 LEU 102 3HD2 LEU 102 8.751 0.619 -10.681 820 2HD2 LEU 102 2HD2 LEU 102 7.203 1.361 -10.326 821 3HD2 LEU 102 1HD2 LEU 102 7.393 -0.357 -10.156 822 H CYS 103 H CYS 103 8.309 -2.762 -14.270 823 HA CYS 103 HA CYS 103 10.410 -4.673 -14.432 824 1HB CYS 103 2HB CYS 103 9.106 -6.594 -13.223 825 2HB CYS 103 1HB CYS 103 9.887 -5.431 -12.208 826 HG CYS 103 HG CYS 103 6.513 -5.788 -12.774 827 H GLN 104 H GLN 104 6.880 -4.092 -14.634 828 HA GLN 104 HA GLN 104 6.780 -5.039 -17.312 829 1HB GLN 104 2HB GLN 104 5.213 -6.701 -15.222 830 2HB GLN 104 1HB GLN 104 5.102 -6.849 -16.955 831 1HG GLN 104 2HG GLN 104 7.606 -7.543 -16.924 832 2HG GLN 104 1HG GLN 104 7.452 -7.655 -15.167 833 1HE2 GLN 104 2HE2 GLN 104 6.555 -10.969 -15.416 834 2HE2 GLN 104 1HE2 GLN 104 7.504 -9.725 -14.702 835 H LYS 105 H LYS 105 5.737 -3.619 -18.013 836 HA LYS 105 HA LYS 105 4.126 -1.752 -17.093 837 1HB LYS 105 2HB LYS 105 3.609 -1.175 -19.333 838 2HB LYS 105 1HB LYS 105 5.048 -2.141 -19.399 839 1HG LYS 105 2HG LYS 105 2.725 -3.889 -19.775 840 2HG LYS 105 1HG LYS 105 2.562 -2.499 -20.801 841 1HD LYS 105 2HD LYS 105 3.718 -4.362 -21.917 842 2HD LYS 105 1HD LYS 105 4.740 -2.940 -21.854 843 1HE LYS 105 1HE LYS 105 6.067 -3.818 -20.053 844 2HE LYS 105 2HE LYS 105 4.870 -5.098 -19.713 845 1HZ LYS 105 3HZ LYS 105 6.516 -4.902 -22.151 846 2HZ LYS 105 2HZ LYS 105 6.794 -5.942 -20.833 847 3HZ LYS 105 1HZ LYS 105 5.390 -6.113 -21.772 848 H LEU 106 H LEU 106 1.989 -1.281 -17.331 849 HA LEU 106 HA LEU 106 0.523 -3.243 -15.867 850 1HB LEU 106 2HB LEU 106 -0.889 -0.758 -16.967 851 2HB LEU 106 1HB LEU 106 -1.230 -1.636 -15.507 852 HG LEU 106 HG LEU 106 1.004 0.310 -16.065 853 1HD1 LEU 106 2HD1 LEU 106 -1.349 0.657 -14.596 854 2HD1 LEU 106 3HD1 LEU 106 -0.285 0.120 -13.343 855 3HD1 LEU 106 1HD1 LEU 106 0.198 1.515 -14.226 856 1HD2 LEU 106 2HD2 LEU 106 2.219 -1.716 -14.983 857 2HD2 LEU 106 1HD2 LEU 106 2.120 -0.273 -14.023 858 3HD2 LEU 106 3HD2 LEU 106 0.965 -1.614 -13.798 859 H THR 107 H THR 107 -1.416 -4.250 -16.295 860 HA THR 107 HA THR 107 -2.137 -4.491 -19.187 861 HB THR 107 HB THR 107 -2.373 -6.816 -19.046 862 HG1 THR 107 HG1 THR 107 -2.275 -6.881 -16.101 863 1HG2 THR 107 2HG2 THR 107 0.345 -5.882 -18.037 864 2HG2 THR 107 1HG2 THR 107 0.013 -7.540 -18.533 865 3HG2 THR 107 3HG2 THR 107 -0.224 -6.193 -19.627 866 H LEU 108 H LEU 108 -3.232 -5.736 -16.100 867 HA LEU 108 HA LEU 108 -5.854 -4.369 -16.577 868 1HB LEU 108 2HB LEU 108 -5.646 -7.185 -15.557 869 2HB LEU 108 1HB LEU 108 -7.099 -6.373 -15.959 870 HG LEU 108 HG LEU 108 -5.003 -6.966 -18.073 871 1HD1 LEU 108 3HD1 LEU 108 -7.281 -8.773 -17.244 872 2HD1 LEU 108 2HD1 LEU 108 -6.264 -8.976 -18.674 873 3HD1 LEU 108 1HD1 LEU 108 -5.551 -9.087 -17.067 874 1HD2 LEU 108 3HD2 LEU 108 -6.749 -5.238 -18.602 875 2HD2 LEU 108 2HD2 LEU 108 -6.895 -6.666 -19.626 876 3HD2 LEU 108 1HD2 LEU 108 -8.003 -6.424 -18.272 877 HA PRO 109 HA PRO 109 -4.551 -3.604 -12.273 878 1HB PRO 109 2HB PRO 109 -6.258 -1.524 -11.714 879 2HB PRO 109 1HB PRO 109 -4.800 -1.373 -12.705 880 1HG PRO 109 2HG PRO 109 -7.623 -1.588 -13.642 881 2HG PRO 109 1HG PRO 109 -6.346 -0.558 -14.296 882 1HD PRO 109 1HD PRO 109 -7.065 -3.082 -15.421 883 2HD PRO 109 2HD PRO 109 -5.471 -2.330 -15.646 884 H CYS 110 H CYS 110 -5.061 -5.194 -11.387 885 HA CYS 110 HA CYS 110 -6.242 -7.139 -10.793 886 1HB CYS 110 2HB CYS 110 -4.904 -6.070 -9.027 887 2HB CYS 110 1HB CYS 110 -6.275 -5.141 -8.487 888 HG CYS 110 HG CYS 110 -6.073 -8.603 -8.387 889 H VAL 111 H VAL 111 -8.033 -8.304 -10.437 890 HA VAL 111 HA VAL 111 -10.598 -6.823 -10.653 891 HB VAL 111 HB VAL 111 -10.001 -8.671 -12.236 892 1HG1 VAL 111 1HG1 VAL 111 -9.007 -10.291 -10.596 893 2HG1 VAL 111 3HG1 VAL 111 -10.607 -10.575 -9.925 894 3HG1 VAL 111 2HG1 VAL 111 -10.271 -11.007 -11.594 895 1HG2 VAL 111 3HG2 VAL 111 -12.355 -7.868 -11.890 896 2HG2 VAL 111 2HG2 VAL 111 -12.264 -9.552 -12.381 897 3HG2 VAL 111 1HG2 VAL 111 -12.602 -9.150 -10.704 898 H ASN 112 H ASN 112 -12.360 -7.371 -9.295 899 HA ASN 112 HA ASN 112 -11.512 -7.654 -6.525 900 1HB ASN 112 2HB ASN 112 -13.338 -6.055 -7.428 901 2HB ASN 112 1HB ASN 112 -14.399 -7.440 -7.596 902 1HD2 ASN 112 2HD2 ASN 112 -15.413 -7.348 -4.290 903 2HD2 ASN 112 1HD2 ASN 112 -15.713 -7.821 -5.919 904 H LEU 113 H LEU 113 -13.787 -9.365 -8.628 905 HA LEU 113 HA LEU 113 -12.897 -11.934 -7.853 906 1HB LEU 113 2HB LEU 113 -14.153 -11.362 -5.736 907 2HB LEU 113 1HB LEU 113 -15.580 -11.007 -6.664 908 HG LEU 113 HG LEU 113 -15.735 -13.389 -7.358 909 1HD1 LEU 113 3HD1 LEU 113 -13.277 -13.811 -5.595 910 2HD1 LEU 113 2HD1 LEU 113 -14.281 -15.101 -6.251 911 3HD1 LEU 113 1HD1 LEU 113 -13.369 -14.068 -7.336 912 1HD2 LEU 113 2HD2 LEU 113 -16.903 -12.624 -5.299 913 2HD2 LEU 113 1HD2 LEU 113 -16.381 -14.298 -5.141 914 3HD2 LEU 113 3HD2 LEU 113 -15.481 -13.016 -4.335 915 H ALA 114 HN ALA 114 -12.959 -12.770 -9.798 916 HA ALA 114 HA ALA 114 -15.513 -13.211 -11.089 917 1HB ALA 114 3HB ALA 114 -14.957 -10.887 -11.921 918 2HB ALA 114 2HB ALA 114 -13.416 -11.477 -12.531 919 3HB ALA 114 1HB ALA 114 -14.925 -12.047 -13.241 No H/Q in entry = 919 Start of MODEL 7 1 1H GLY 1 3H GLY 1 -22.792 9.465 -14.488 2 2H GLY 1 2H GLY 1 -23.179 7.847 -14.825 3 3H GLY 1 1H GLY 1 -24.391 9.038 -14.852 4 1HA GLY 1 2HA GLY 1 -24.532 7.726 -12.873 5 2HA GLY 1 1HA GLY 1 -22.831 8.187 -12.504 6 H SER 2 H SER 2 -24.276 8.653 -10.557 7 HA SER 2 HA SER 2 -24.814 10.158 -9.012 8 1HB SER 2 2HB SER 2 -24.405 12.569 -10.866 9 2HB SER 2 1HB SER 2 -24.276 12.484 -9.188 10 HG SER 2 HG SER 2 -22.043 10.887 -10.412 11 H VAL 3 H VAL 3 -26.730 9.113 -11.011 12 HA VAL 3 HA VAL 3 -28.813 11.159 -11.038 13 HB VAL 3 HB VAL 3 -29.004 8.148 -11.562 14 1HG1 VAL 3 1HG1 VAL 3 -30.921 10.396 -12.345 15 2HG1 VAL 3 3HG1 VAL 3 -31.069 8.714 -12.844 16 3HG1 VAL 3 2HG1 VAL 3 -31.235 9.143 -11.148 17 1HG2 VAL 3 3HG2 VAL 3 -28.538 10.435 -13.544 18 2HG2 VAL 3 2HG2 VAL 3 -27.392 9.155 -13.155 19 3HG2 VAL 3 1HG2 VAL 3 -28.882 8.769 -13.997 20 H ALA 4 H ALA 4 -27.724 8.465 -9.250 21 HA ALA 4 HA ALA 4 -29.107 9.194 -6.791 22 1HB ALA 4 3HB ALA 4 -29.127 6.379 -8.067 23 2HB ALA 4 2HB ALA 4 -29.682 6.735 -6.431 24 3HB ALA 4 1HB ALA 4 -30.537 7.402 -7.818 25 HA PRO 5 HA PRO 5 -24.519 8.399 -6.867 26 1HB PRO 5 2HB PRO 5 -23.744 10.560 -5.308 27 2HB PRO 5 1HB PRO 5 -24.007 10.619 -7.037 28 1HG PRO 5 2HG PRO 5 -25.877 11.510 -4.877 29 2HG PRO 5 1HG PRO 5 -25.578 12.275 -6.443 30 1HD PRO 5 1HD PRO 5 -27.781 10.677 -5.919 31 2HD PRO 5 2HD PRO 5 -27.103 10.877 -7.540 32 H VAL 6 H VAL 6 -24.059 6.797 -5.790 33 HA VAL 6 HA VAL 6 -23.231 6.732 -3.145 34 HB VAL 6 HB VAL 6 -25.547 6.715 -2.452 35 1HG1 VAL 6 1HG1 VAL 6 -26.681 5.917 -4.493 36 2HG1 VAL 6 3HG1 VAL 6 -26.102 4.279 -4.199 37 3HG1 VAL 6 2HG1 VAL 6 -27.210 5.040 -3.070 38 1HG2 VAL 6 3HG2 VAL 6 -23.981 5.275 -1.165 39 2HG2 VAL 6 2HG2 VAL 6 -25.636 4.685 -1.093 40 3HG2 VAL 6 1HG2 VAL 6 -24.464 3.880 -2.126 41 H GLU 7 H GLU 7 -21.598 6.207 -4.522 42 HA GLU 7 HA GLU 7 -20.047 4.852 -5.289 43 1HB GLU 7 2HB GLU 7 -20.735 3.217 -3.561 44 2HB GLU 7 1HB GLU 7 -21.867 2.461 -4.639 45 1HG GLU 7 2HG GLU 7 -18.904 2.643 -5.382 46 2HG GLU 7 1HG GLU 7 -19.484 1.405 -4.299 47 H THR 8 H THR 8 -19.423 4.777 -7.263 48 HA THR 8 HA THR 8 -20.943 3.522 -9.343 49 HB THR 8 HB THR 8 -22.282 5.505 -9.347 50 HG1 THR 8 HG1 THR 8 -20.443 5.798 -11.688 51 1HG2 THR 8 1HG2 THR 8 -19.764 7.222 -8.927 52 2HG2 THR 8 3HG2 THR 8 -21.369 7.855 -9.319 53 3HG2 THR 8 2HG2 THR 8 -21.127 6.929 -7.885 54 H LEU 9 H LEU 9 -18.810 2.600 -8.904 55 HA LEU 9 HA LEU 9 -17.166 3.175 -11.174 56 1HB LEU 9 2HB LEU 9 -15.012 3.486 -9.604 57 2HB LEU 9 1HB LEU 9 -15.956 4.810 -10.186 58 HG LEU 9 HG LEU 9 -17.164 4.996 -8.042 59 1HD1 LEU 9 1HD1 LEU 9 -15.374 2.734 -7.072 60 2HD1 LEU 9 3HD1 LEU 9 -16.390 3.732 -6.037 61 3HD1 LEU 9 2HD1 LEU 9 -17.132 2.667 -7.217 62 1HD2 LEU 9 1HD2 LEU 9 -15.082 6.282 -8.413 63 2HD2 LEU 9 3HD2 LEU 9 -15.280 5.865 -6.715 64 3HD2 LEU 9 2HD2 LEU 9 -14.134 4.972 -7.712 65 H GLU 10 H GLU 10 -17.608 1.222 -11.727 66 HA GLU 10 HA GLU 10 -17.226 -1.116 -10.077 67 1HB GLU 10 2HB GLU 10 -17.967 -2.316 -12.091 68 2HB GLU 10 1HB GLU 10 -18.998 -0.955 -11.743 69 1HG GLU 10 2HG GLU 10 -17.777 0.407 -13.519 70 2HG GLU 10 1HG GLU 10 -16.815 -1.006 -13.903 71 H VAL 11 H VAL 11 -14.928 0.856 -11.451 72 HA VAL 11 HA VAL 11 -13.252 -1.247 -12.598 73 HB VAL 11 HB VAL 11 -11.673 0.874 -12.826 74 1HG1 VAL 11 2HG1 VAL 11 -12.631 -0.368 -14.709 75 2HG1 VAL 11 1HG1 VAL 11 -14.156 0.498 -14.538 76 3HG1 VAL 11 3HG1 VAL 11 -12.696 1.364 -15.011 77 1HG2 VAL 11 1HG2 VAL 11 -13.234 2.441 -11.445 78 2HG2 VAL 11 3HG2 VAL 11 -12.829 3.010 -13.055 79 3HG2 VAL 11 2HG2 VAL 11 -14.396 2.291 -12.750 80 H GLU 12 H GLU 12 -12.075 1.362 -10.575 81 HA GLU 12 HA GLU 12 -10.678 1.384 -8.773 82 1HB GLU 12 2HB GLU 12 -11.981 -1.184 -7.828 83 2HB GLU 12 1HB GLU 12 -11.272 0.078 -6.849 84 1HG GLU 12 2HG GLU 12 -13.177 1.601 -7.515 85 2HG GLU 12 1HG GLU 12 -13.893 0.263 -8.400 86 H LYS 13 H LYS 13 -9.848 -0.849 -7.259 87 HA LYS 13 HA LYS 13 -8.380 -2.292 -6.894 88 1HB LYS 13 2HB LYS 13 -8.521 -2.993 -9.773 89 2HB LYS 13 1HB LYS 13 -7.920 -4.029 -8.470 90 1HG LYS 13 2HG LYS 13 -10.716 -2.848 -8.761 91 2HG LYS 13 1HG LYS 13 -10.295 -4.546 -8.936 92 1HD LYS 13 2HD LYS 13 -9.475 -4.259 -6.381 93 2HD LYS 13 1HD LYS 13 -10.445 -2.830 -6.448 94 1HE LYS 13 1HE LYS 13 -12.410 -4.212 -7.380 95 2HE LYS 13 2HE LYS 13 -11.533 -5.649 -6.885 96 1HZ LYS 13 1HZ LYS 13 -11.541 -4.773 -4.633 97 2HZ LYS 13 3HZ LYS 13 -12.442 -3.438 -5.194 98 3HZ LYS 13 2HZ LYS 13 -13.092 -5.009 -5.296 99 H TRP 14 H TRP 14 -7.328 -0.221 -9.726 100 HA TRP 14 HA TRP 14 -4.669 -0.894 -9.047 101 1HB TRP 14 2HB TRP 14 -3.702 0.519 -10.468 102 2HB TRP 14 1HB TRP 14 -5.176 0.036 -11.246 103 HD1 TRP 14 HD1 TRP 14 -6.279 1.949 -12.540 104 HE1 TRP 14 HE1 TRP 14 -5.966 4.464 -12.676 105 HE3 TRP 14 HE3 TRP 14 -3.268 2.673 -8.436 106 HZ2 TRP 14 HZ2 TRP 14 -4.515 6.487 -11.285 107 HZ3 TRP 14 HZ3 TRP 14 -2.560 4.941 -7.854 108 HH2 TRP 14 HH2 TRP 14 -3.225 6.854 -9.270 109 H PHE 15 H PHE 15 -6.837 1.628 -7.956 110 HA PHE 15 HA PHE 15 -4.788 2.579 -6.070 111 1HB PHE 15 2HB PHE 15 -6.159 4.196 -7.440 112 2HB PHE 15 1HB PHE 15 -7.591 3.697 -6.573 113 HD1 PHE 15 HD2 PHE 15 -4.113 4.934 -6.007 114 HD2 PHE 15 HD1 PHE 15 -8.126 4.792 -4.537 115 HE1 PHE 15 HE2 PHE 15 -3.527 6.560 -4.240 116 HE2 PHE 15 HE1 PHE 15 -7.535 6.395 -2.765 117 HZ PHE 15 HZ PHE 15 -5.240 7.286 -2.618 118 H PHE 16 H PHE 16 -4.616 1.674 -4.179 119 HA PHE 16 HA PHE 16 -7.032 0.675 -2.762 120 1HB PHE 16 2HB PHE 16 -4.636 -0.868 -3.552 121 2HB PHE 16 1HB PHE 16 -4.744 -0.912 -1.826 122 HD1 PHE 16 HD2 PHE 16 -7.228 -1.028 -4.668 123 HD2 PHE 16 HD1 PHE 16 -5.816 -2.802 -1.035 124 HE1 PHE 16 HE2 PHE 16 -9.059 -2.660 -4.747 125 HE2 PHE 16 HE1 PHE 16 -7.687 -4.447 -1.160 126 HZ PHE 16 HZ PHE 16 -9.295 -4.351 -2.976 127 H ARG 17 H ARG 17 -6.297 0.123 -0.475 128 HA ARG 17 HA ARG 17 -5.092 2.577 0.717 129 1HB ARG 17 2HB ARG 17 -7.492 0.846 1.546 130 2HB ARG 17 1HB ARG 17 -6.742 1.892 2.708 131 1HG ARG 17 2HG ARG 17 -7.136 3.860 1.286 132 2HG ARG 17 1HG ARG 17 -7.919 2.858 0.077 133 1HD ARG 17 2HD ARG 17 -9.655 2.181 1.860 134 2HD ARG 17 1HD ARG 17 -8.857 3.288 2.966 135 HE ARG 17 HE ARG 17 -9.875 5.048 1.922 136 1HH1 ARG 17 1HH2 ARG 17 -10.014 2.224 -0.176 137 2HH1 ARG 17 2HH2 ARG 17 -11.072 2.959 -1.333 138 1HH2 ARG 17 2HH1 ARG 17 -11.279 6.000 0.376 139 2HH2 ARG 17 1HH1 ARG 17 -11.787 5.101 -1.015 140 H THR 18 H THR 18 -4.941 1.907 3.158 141 HA THR 18 HA THR 18 -2.554 0.380 3.399 142 HB THR 18 HB THR 18 -2.478 2.076 4.868 143 HG1 THR 18 HG1 THR 18 -3.455 -0.035 6.714 144 1HG2 THR 18 1HG2 THR 18 -5.517 1.988 5.323 145 2HG2 THR 18 3HG2 THR 18 -4.410 3.068 6.194 146 3HG2 THR 18 2HG2 THR 18 -4.528 3.142 4.484 147 H ILE 19 H ILE 19 -3.348 -1.353 2.547 148 HA ILE 19 HA ILE 19 -4.793 -3.311 4.255 149 HB ILE 19 HB ILE 19 -5.051 -2.959 1.644 150 1HG1 ILE 19 1HG1 ILE 19 -5.031 -5.621 2.931 151 2HG1 ILE 19 2HG1 ILE 19 -6.361 -4.551 2.715 152 1HG2 ILE 19 2HG2 ILE 19 -2.483 -3.385 1.253 153 2HG2 ILE 19 3HG2 ILE 19 -2.997 -5.073 1.263 154 3HG2 ILE 19 1HG2 ILE 19 -3.699 -3.912 0.100 155 1HD1 ILE 19 1HD1 ILE 19 -6.117 -4.768 0.196 156 2HD1 ILE 19 3HD1 ILE 19 -4.931 -6.018 0.420 157 3HD1 ILE 19 2HD1 ILE 19 -6.584 -6.278 0.978 158 H SER 20 H SER 20 -3.642 -5.463 4.503 159 HA SER 20 HA SER 20 -0.956 -4.736 5.435 160 1HB SER 20 2HB SER 20 -2.241 -6.503 6.695 161 2HB SER 20 1HB SER 20 -2.376 -7.447 5.298 162 HG SER 20 HG SER 20 0.512 -7.418 6.003 163 H ARG 21 H ARG 21 0.943 -5.738 4.728 164 HA ARG 21 HA ARG 21 1.474 -5.649 2.047 165 1HB ARG 21 2HB ARG 21 3.127 -5.868 4.084 166 2HB ARG 21 1HB ARG 21 3.077 -7.588 3.799 167 1HG ARG 21 2HG ARG 21 3.729 -7.087 1.353 168 2HG ARG 21 1HG ARG 21 3.950 -5.430 1.838 169 1HD ARG 21 2HD ARG 21 6.171 -6.330 1.995 170 2HD ARG 21 1HD ARG 21 5.614 -6.368 3.660 171 HE ARG 21 HE ARG 21 5.647 -8.674 3.597 172 1HH1 ARG 21 1HH2 ARG 21 5.793 -7.396 0.314 173 2HH1 ARG 21 2HH2 ARG 21 6.008 -8.955 -0.416 174 1HH2 ARG 21 2HH1 ARG 21 5.996 -10.700 2.593 175 2HH2 ARG 21 1HH1 ARG 21 6.144 -10.807 0.872 176 H LYS 22 H LYS 22 0.738 -8.628 3.939 177 HA LYS 22 HA LYS 22 0.888 -10.244 1.565 178 1HB LYS 22 2HB LYS 22 0.327 -12.081 2.758 179 2HB LYS 22 1HB LYS 22 1.402 -11.121 3.766 180 1HG LYS 22 2HG LYS 22 -1.095 -12.431 4.323 181 2HG LYS 22 1HG LYS 22 0.022 -11.662 5.429 182 1HD LYS 22 2HD LYS 22 -1.277 -9.519 4.549 183 2HD LYS 22 1HD LYS 22 -2.486 -10.702 4.165 184 1HE LYS 22 1HE LYS 22 -2.342 -11.561 6.583 185 2HE LYS 22 2HE LYS 22 -1.303 -10.195 6.952 186 1HZ LYS 22 2HZ LYS 22 -3.101 -8.733 6.331 187 2HZ LYS 22 1HZ LYS 22 -4.084 -10.059 5.990 188 3HZ LYS 22 3HZ LYS 22 -3.542 -9.800 7.582 189 H ASP 23 H ASP 23 -1.509 -8.273 2.797 190 HA ASP 23 HA ASP 23 -3.643 -9.931 1.865 191 1HB ASP 23 2HB ASP 23 -3.568 -7.006 2.819 192 2HB ASP 23 1HB ASP 23 -5.025 -7.602 2.110 193 H ALA 24 H ALA 24 -2.001 -7.127 0.897 194 HA ALA 24 HA ALA 24 -3.474 -6.641 -1.562 195 1HB ALA 24 3HB ALA 24 -1.124 -5.474 -0.213 196 2HB ALA 24 2HB ALA 24 -0.895 -5.527 -1.970 197 3HB ALA 24 1HB ALA 24 -2.309 -4.723 -1.304 198 H GLU 25 H GLU 25 -0.682 -8.530 -0.663 199 HA GLU 25 HA GLU 25 0.038 -9.345 -3.319 200 1HB GLU 25 2HB GLU 25 0.578 -10.576 -0.574 201 2HB GLU 25 1HB GLU 25 1.195 -11.283 -2.036 202 1HG GLU 25 2HG GLU 25 2.466 -9.238 -2.578 203 2HG GLU 25 1HG GLU 25 1.846 -8.411 -1.190 204 H ARG 26 H ARG 26 -2.367 -10.443 -0.909 205 HA ARG 26 HA ARG 26 -2.765 -12.997 -2.130 206 1HB ARG 26 2HB ARG 26 -4.472 -13.297 -0.519 207 2HB ARG 26 1HB ARG 26 -3.599 -11.976 0.194 208 1HG ARG 26 2HG ARG 26 -5.521 -10.565 -1.218 209 2HG ARG 26 1HG ARG 26 -6.328 -12.049 -0.971 210 1HD ARG 26 2HD ARG 26 -5.652 -11.600 1.623 211 2HD ARG 26 1HD ARG 26 -5.593 -9.920 1.036 212 HE ARG 26 HE ARG 26 -7.945 -11.126 0.053 213 1HH1 ARG 26 1HH2 ARG 26 -6.507 -10.081 3.109 214 2HH1 ARG 26 2HH2 ARG 26 -8.034 -9.743 3.842 215 1HH2 ARG 26 2HH1 ARG 26 -9.919 -10.672 1.054 216 2HH2 ARG 26 1HH1 ARG 26 -9.965 -10.076 2.676 217 H GLN 27 H GLN 27 -3.836 -9.842 -2.672 218 HA GLN 27 HA GLN 27 -6.034 -10.487 -4.402 219 1HB GLN 27 2HB GLN 27 -4.567 -7.852 -4.165 220 2HB GLN 27 1HB GLN 27 -6.026 -8.068 -5.092 221 1HG GLN 27 2HG GLN 27 -5.843 -8.817 -2.176 222 2HG GLN 27 1HG GLN 27 -6.274 -7.190 -2.658 223 1HE2 GLN 27 2HE2 GLN 27 -8.917 -10.325 -2.845 224 2HE2 GLN 27 1HE2 GLN 27 -7.227 -10.564 -2.523 225 H LEU 28 H LEU 28 -2.890 -8.933 -5.318 226 HA LEU 28 HA LEU 28 -3.344 -9.345 -8.066 227 1HB LEU 28 2HB LEU 28 -0.889 -8.678 -6.410 228 2HB LEU 28 1HB LEU 28 -0.750 -8.760 -8.155 229 HG LEU 28 HG LEU 28 -2.893 -7.043 -6.936 230 1HD1 LEU 28 3HD1 LEU 28 0.072 -6.460 -7.366 231 2HD1 LEU 28 2HD1 LEU 28 -1.154 -5.202 -7.264 232 3HD1 LEU 28 1HD1 LEU 28 -0.909 -6.287 -5.900 233 1HD2 LEU 28 2HD2 LEU 28 -2.771 -7.779 -9.424 234 2HD2 LEU 28 1HD2 LEU 28 -2.831 -6.057 -9.126 235 3HD2 LEU 28 3HD2 LEU 28 -1.285 -6.818 -9.495 236 H LEU 29 H LEU 29 -1.871 -11.606 -5.598 237 HA LEU 29 HA LEU 29 -0.655 -13.169 -7.622 238 1HB LEU 29 2HB LEU 29 -1.585 -13.770 -4.806 239 2HB LEU 29 1HB LEU 29 -0.697 -14.922 -5.763 240 HG LEU 29 HG LEU 29 0.406 -12.108 -5.212 241 1HD1 LEU 29 3HD1 LEU 29 -0.086 -13.318 -3.127 242 2HD1 LEU 29 2HD1 LEU 29 0.925 -14.659 -3.647 243 3HD1 LEU 29 1HD1 LEU 29 1.649 -13.065 -3.372 244 1HD2 LEU 29 2HD2 LEU 29 1.727 -14.728 -6.146 245 2HD2 LEU 29 1HD2 LEU 29 1.506 -13.281 -7.123 246 3HD2 LEU 29 3HD2 LEU 29 2.554 -13.232 -5.713 247 H ALA 30 H ALA 30 -4.007 -12.703 -6.817 248 HA ALA 30 HA ALA 30 -5.106 -15.158 -7.330 249 1HB ALA 30 1HB ALA 30 -6.143 -12.492 -8.479 250 2HB ALA 30 3HB ALA 30 -7.094 -13.963 -8.360 251 3HB ALA 30 2HB ALA 30 -6.536 -13.157 -6.891 252 HA PRO 31 HA PRO 31 -3.567 -16.227 -11.406 253 1HB PRO 31 2HB PRO 31 -5.275 -18.328 -12.023 254 2HB PRO 31 1HB PRO 31 -3.974 -18.415 -10.842 255 1HG PRO 31 2HG PRO 31 -6.877 -17.846 -10.284 256 2HG PRO 31 1HG PRO 31 -5.826 -19.008 -9.441 257 1HD PRO 31 1HD PRO 31 -6.342 -16.570 -8.409 258 2HD PRO 31 2HD PRO 31 -4.711 -17.275 -8.258 259 H MET 32 H MET 32 -6.522 -14.654 -10.873 260 HA MET 32 HA MET 32 -7.686 -14.774 -13.422 261 1HB MET 32 2HB MET 32 -7.918 -13.209 -10.829 262 2HB MET 32 1HB MET 32 -8.922 -12.841 -12.176 263 1HG MET 32 2HG MET 32 -9.733 -15.268 -12.204 264 2HG MET 32 1HG MET 32 -8.804 -15.543 -10.759 265 1HE MET 32 3HE MET 32 -9.287 -14.981 -8.574 266 2HE MET 32 2HE MET 32 -9.327 -13.210 -8.625 267 3HE MET 32 1HE MET 32 -10.686 -14.133 -7.933 268 H ASN 33 H ASN 33 -5.012 -13.063 -12.109 269 HA ASN 33 HA ASN 33 -5.014 -11.238 -14.446 270 1HB ASN 33 2HB ASN 33 -4.251 -10.243 -11.636 271 2HB ASN 33 1HB ASN 33 -4.417 -9.290 -13.113 272 1HD2 ASN 33 2HD2 ASN 33 -7.867 -9.008 -13.133 273 2HD2 ASN 33 1HD2 ASN 33 -6.410 -8.898 -14.054 274 H LYS 34 H LYS 34 -2.769 -9.902 -14.330 275 HA LYS 34 HA LYS 34 -0.577 -11.777 -13.767 276 1HB LYS 34 2HB LYS 34 0.149 -11.751 -16.191 277 2HB LYS 34 1HB LYS 34 -1.346 -12.572 -15.896 278 1HG LYS 34 2HG LYS 34 -1.652 -11.302 -17.872 279 2HG LYS 34 1HG LYS 34 -2.632 -10.529 -16.661 280 1HD LYS 34 2HD LYS 34 -1.000 -8.704 -16.427 281 2HD LYS 34 1HD LYS 34 0.172 -9.581 -17.387 282 1HE LYS 34 1HE LYS 34 -1.483 -9.387 -19.349 283 2HE LYS 34 2HE LYS 34 -2.423 -8.286 -18.339 284 1HZ LYS 34 2HZ LYS 34 0.406 -7.960 -19.099 285 2HZ LYS 34 1HZ LYS 34 -0.920 -7.150 -19.787 286 3HZ LYS 34 3HZ LYS 34 -0.503 -6.873 -18.171 287 H ALA 35 H ALA 35 1.513 -10.952 -14.363 288 HA ALA 35 HA ALA 35 2.404 -8.744 -13.375 289 1HB ALA 35 3HB ALA 35 3.857 -10.461 -14.517 290 2HB ALA 35 2HB ALA 35 3.411 -9.801 -16.083 291 3HB ALA 35 1HB ALA 35 4.352 -8.833 -14.947 292 H GLY 36 H GLY 36 2.109 -6.780 -13.404 293 1HA GLY 36 2HA GLY 36 2.268 -4.712 -14.516 294 2HA GLY 36 1HA GLY 36 1.336 -5.372 -15.894 295 H SER 37 H SER 37 -0.848 -6.600 -14.334 296 HA SER 37 HA SER 37 -2.444 -4.615 -13.458 297 1HB SER 37 2HB SER 37 -3.773 -6.373 -12.294 298 2HB SER 37 1HB SER 37 -3.456 -6.792 -13.892 299 HG SER 37 HG SER 37 -1.423 -8.250 -12.407 300 H PHE 38 H PHE 38 -3.281 -4.038 -11.300 301 HA PHE 38 HA PHE 38 -0.950 -4.173 -9.310 302 1HB PHE 38 2HB PHE 38 -2.530 -1.413 -9.599 303 2HB PHE 38 1HB PHE 38 -0.811 -1.723 -9.491 304 HD1 PHE 38 HD1 PHE 38 0.516 -1.919 -11.403 305 HD2 PHE 38 HD2 PHE 38 -3.681 -1.448 -11.630 306 HE1 PHE 38 HE1 PHE 38 0.686 -1.174 -13.683 307 HE2 PHE 38 HE2 PHE 38 -3.524 -0.583 -13.934 308 HZ PHE 38 HZ PHE 38 -1.278 -0.384 -14.974 309 H LEU 39 H LEU 39 -1.411 -2.570 -7.680 310 HA LEU 39 HA LEU 39 -3.915 -1.696 -6.559 311 1HB LEU 39 2HB LEU 39 -2.139 -2.870 -4.424 312 2HB LEU 39 1HB LEU 39 -3.833 -2.652 -4.409 313 HG LEU 39 HG LEU 39 -2.783 -4.770 -6.209 314 1HD1 LEU 39 1HD1 LEU 39 -1.443 -4.812 -4.002 315 2HD1 LEU 39 3HD1 LEU 39 -2.979 -5.108 -3.220 316 3HD1 LEU 39 2HD1 LEU 39 -2.361 -6.253 -4.415 317 1HD2 LEU 39 3HD2 LEU 39 -5.299 -4.394 -5.798 318 2HD2 LEU 39 2HD2 LEU 39 -4.550 -5.991 -5.465 319 3HD2 LEU 39 1HD2 LEU 39 -4.887 -4.870 -4.112 320 H ILE 40 H ILE 40 -3.328 -0.111 -4.661 321 HA ILE 40 HA ILE 40 -0.393 0.350 -4.551 322 HB ILE 40 HB ILE 40 -1.791 1.649 -6.621 323 1HG1 ILE 40 1HG1 ILE 40 0.320 3.359 -5.232 324 2HG1 ILE 40 2HG1 ILE 40 0.757 1.779 -5.839 325 1HG2 ILE 40 1HG2 ILE 40 -3.136 3.037 -4.973 326 2HG2 ILE 40 3HG2 ILE 40 -1.598 3.666 -4.363 327 3HG2 ILE 40 2HG2 ILE 40 -2.040 4.017 -5.991 328 1HD1 ILE 40 1HD1 ILE 40 -0.395 2.384 -8.122 329 2HD1 ILE 40 3HD1 ILE 40 -0.481 3.989 -7.468 330 3HD1 ILE 40 2HD1 ILE 40 1.098 3.194 -7.701 331 H ARG 41 H ARG 41 -0.666 -0.431 -2.538 332 HA ARG 41 HA ARG 41 -2.782 0.435 -0.834 333 1HB ARG 41 2HB ARG 41 -1.909 -1.203 0.668 334 2HB ARG 41 1HB ARG 41 -1.604 -1.823 -0.915 335 1HG ARG 41 2HG ARG 41 0.409 -2.275 0.095 336 2HG ARG 41 1HG ARG 41 0.804 -0.718 -0.597 337 1HD ARG 41 2HD ARG 41 0.444 0.392 1.585 338 2HD ARG 41 1HD ARG 41 -0.216 -1.085 2.281 339 HE ARG 41 HE ARG 41 2.307 -1.798 1.415 340 1HH1 ARG 41 1HH2 ARG 41 0.927 0.667 3.555 341 2HH1 ARG 41 2HH2 ARG 41 2.295 0.675 4.611 342 1HH2 ARG 41 2HH1 ARG 41 4.083 -1.732 2.810 343 2HH2 ARG 41 1HH1 ARG 41 4.100 -0.672 4.174 344 H GLU 42 H GLU 42 -2.603 1.766 1.122 345 HA GLU 42 HA GLU 42 -0.424 3.743 0.754 346 1HB GLU 42 2HB GLU 42 -1.678 5.394 1.551 347 2HB GLU 42 1HB GLU 42 -2.936 4.376 0.971 348 1HG GLU 42 2HG GLU 42 -3.924 4.195 2.909 349 2HG GLU 42 1HG GLU 42 -2.487 3.758 3.810 350 H SER 43 H SER 43 0.515 4.751 2.575 351 HA SER 43 HA SER 43 1.220 2.760 4.660 352 1HB SER 43 2HB SER 43 3.156 3.726 3.350 353 2HB SER 43 1HB SER 43 2.621 5.255 3.474 354 HG SER 43 HG SER 43 3.321 4.585 6.229 355 H GLU 44 H GLU 44 -0.122 2.972 6.296 356 HA GLU 44 HA GLU 44 -1.867 5.123 6.671 357 1HB GLU 44 2HB GLU 44 -2.418 3.905 8.824 358 2HB GLU 44 1HB GLU 44 -2.554 3.106 7.284 359 1HG GLU 44 2HG GLU 44 -1.563 1.630 9.073 360 2HG GLU 44 1HG GLU 44 -0.567 1.755 7.654 361 H SER 45 H SER 45 1.399 5.205 7.447 362 HA SER 45 HA SER 45 1.262 6.776 9.890 363 1HB SER 45 2HB SER 45 3.735 6.831 9.578 364 2HB SER 45 1HB SER 45 3.098 5.270 9.487 365 HG SER 45 HG SER 45 3.417 6.276 6.680 366 H ASN 46 H ASN 46 1.283 7.405 6.439 367 HA ASN 46 HA ASN 46 1.826 10.313 6.805 368 1HB ASN 46 2HB ASN 46 2.729 9.983 4.344 369 2HB ASN 46 1HB ASN 46 3.768 9.423 5.598 370 1HD2 ASN 46 2HD2 ASN 46 1.620 6.712 3.403 371 2HD2 ASN 46 1HD2 ASN 46 1.002 8.278 3.618 372 H LYS 47 H LYS 47 1.013 11.659 5.102 373 HA LYS 47 HA LYS 47 -1.529 10.738 4.055 374 1HB LYS 47 2HB LYS 47 -2.071 13.211 3.794 375 2HB LYS 47 1HB LYS 47 -1.926 12.545 5.406 376 1HG LYS 47 2HG LYS 47 -0.821 14.648 5.296 377 2HG LYS 47 1HG LYS 47 0.303 13.345 5.630 378 1HD LYS 47 2HD LYS 47 1.259 13.428 3.432 379 2HD LYS 47 1HD LYS 47 -0.096 14.319 2.781 380 1HE LYS 47 1HE LYS 47 0.507 16.317 4.103 381 2HE LYS 47 2HE LYS 47 1.863 15.468 4.830 382 1HZ LYS 47 3HZ LYS 47 1.545 16.048 1.955 383 2HZ LYS 47 2HZ LYS 47 2.528 16.891 3.052 384 3HZ LYS 47 1HZ LYS 47 2.867 15.270 2.677 385 H GLY 48 H GLY 48 1.291 10.452 2.811 386 1HA GLY 48 2HA GLY 48 0.162 10.688 0.126 387 2HA GLY 48 1HA GLY 48 1.500 11.835 0.469 388 H ALA 49 H ALA 49 1.691 8.873 2.077 389 HA ALA 49 HA ALA 49 3.669 7.887 0.041 390 1HB ALA 49 1HB ALA 49 4.329 8.276 2.768 391 2HB ALA 49 3HB ALA 49 4.105 6.521 2.607 392 3HB ALA 49 2HB ALA 49 5.236 7.374 1.578 393 H PHE 50 H PHE 50 3.442 6.076 -0.913 394 HA PHE 50 HA PHE 50 1.289 4.225 -0.090 395 1HB PHE 50 2HB PHE 50 1.718 5.746 -2.671 396 2HB PHE 50 1HB PHE 50 0.967 4.178 -2.788 397 HD1 PHE 50 HD1 PHE 50 0.683 7.584 -1.355 398 HD2 PHE 50 HD2 PHE 50 -1.290 3.868 -2.057 399 HE1 PHE 50 HE1 PHE 50 -1.474 8.640 -0.838 400 HE2 PHE 50 HE2 PHE 50 -3.458 4.915 -1.542 401 HZ PHE 50 HZ PHE 50 -3.550 7.312 -0.913 402 H SER 51 H SER 51 1.508 2.339 -1.973 403 HA SER 51 HA SER 51 4.229 1.572 -2.519 404 1HB SER 51 2HB SER 51 2.900 -0.625 -0.898 405 2HB SER 51 1HB SER 51 4.511 -0.258 -1.111 406 HG SER 51 HG SER 51 3.313 1.825 0.679 407 H LEU 52 H LEU 52 3.971 1.080 -4.518 408 HA LEU 52 HA LEU 52 1.532 -0.095 -5.608 409 1HB LEU 52 2HB LEU 52 2.761 1.721 -6.810 410 2HB LEU 52 1HB LEU 52 4.257 0.883 -6.643 411 HG LEU 52 HG LEU 52 3.337 -0.843 -8.297 412 1HD1 LEU 52 3HD1 LEU 52 0.903 -0.145 -7.998 413 2HD1 LEU 52 2HD1 LEU 52 1.330 1.355 -8.817 414 3HD1 LEU 52 1HD1 LEU 52 1.417 -0.168 -9.697 415 1HD2 LEU 52 3HD2 LEU 52 4.968 0.961 -8.950 416 2HD2 LEU 52 2HD2 LEU 52 3.852 0.593 -10.254 417 3HD2 LEU 52 1HD2 LEU 52 3.625 2.049 -9.285 418 H SER 53 H SER 53 0.995 -1.924 -5.789 419 HA SER 53 HA SER 53 2.942 -4.140 -5.672 420 1HB SER 53 2HB SER 53 -0.139 -4.301 -5.472 421 2HB SER 53 1HB SER 53 0.984 -5.508 -5.055 422 HG SER 53 HG SER 53 1.202 -3.143 -3.162 423 H VAL 54 H VAL 54 3.304 -5.320 -7.301 424 HA VAL 54 HA VAL 54 1.441 -5.343 -9.618 425 HB VAL 54 HB VAL 54 4.454 -4.860 -9.899 426 1HG1 VAL 54 3HG1 VAL 54 2.252 -4.904 -12.004 427 2HG1 VAL 54 2HG1 VAL 54 3.926 -4.422 -12.320 428 3HG1 VAL 54 1HG1 VAL 54 3.569 -6.074 -11.853 429 1HG2 VAL 54 2HG2 VAL 54 3.329 -2.796 -9.055 430 2HG2 VAL 54 1HG2 VAL 54 3.950 -2.583 -10.678 431 3HG2 VAL 54 3HG2 VAL 54 2.219 -2.843 -10.412 432 H LYS 55 H LYS 55 1.603 -7.397 -10.865 433 HA LYS 55 HA LYS 55 2.661 -9.468 -9.094 434 1HB LYS 55 2HB LYS 55 0.583 -9.697 -10.261 435 2HB LYS 55 1HB LYS 55 1.386 -9.585 -11.802 436 1HG LYS 55 2HG LYS 55 1.771 -11.781 -11.859 437 2HG LYS 55 1HG LYS 55 2.625 -11.762 -10.371 438 1HD LYS 55 2HD LYS 55 0.904 -13.138 -9.713 439 2HD LYS 55 1HD LYS 55 0.147 -11.643 -9.313 440 1HE LYS 55 1HE LYS 55 -1.090 -11.620 -11.474 441 2HE LYS 55 2HE LYS 55 -0.171 -13.010 -12.033 442 1HZ LYS 55 1HZ LYS 55 -1.131 -14.323 -10.300 443 2HZ LYS 55 3HZ LYS 55 -2.095 -13.001 -9.823 444 3HZ LYS 55 2HZ LYS 55 -2.279 -13.672 -11.366 445 H ASP 56 H ASP 56 5.106 -9.696 -9.015 446 HA ASP 56 HA ASP 56 6.329 -9.545 -11.707 447 1HB ASP 56 2HB ASP 56 7.584 -8.443 -10.144 448 2HB ASP 56 1HB ASP 56 7.630 -9.752 -8.999 449 H ILE 57 H ILE 57 6.023 -11.113 -12.981 450 HA ILE 57 HA ILE 57 5.951 -13.889 -11.950 451 HB ILE 57 HB ILE 57 5.249 -12.788 -14.681 452 1HG1 ILE 57 1HG1 ILE 57 3.577 -13.579 -12.265 453 2HG1 ILE 57 2HG1 ILE 57 3.682 -12.004 -12.999 454 1HG2 ILE 57 3HG2 ILE 57 6.008 -15.210 -14.747 455 2HG2 ILE 57 2HG2 ILE 57 4.778 -15.599 -13.550 456 3HG2 ILE 57 1HG2 ILE 57 4.324 -15.039 -15.160 457 1HD1 ILE 57 1HD1 ILE 57 2.615 -12.958 -15.093 458 2HD1 ILE 57 3HD1 ILE 57 2.396 -14.477 -14.207 459 3HD1 ILE 57 2HD1 ILE 57 1.574 -13.023 -13.670 460 H THR 58 H THR 58 7.907 -14.091 -11.414 461 HA THR 58 HA THR 58 10.154 -13.911 -13.317 462 HB THR 58 HB THR 58 10.585 -12.995 -11.182 463 HG1 THR 58 HG1 THR 58 12.132 -15.535 -11.229 464 1HG2 THR 58 2HG2 THR 58 8.793 -13.792 -9.846 465 2HG2 THR 58 1HG2 THR 58 9.379 -15.423 -9.726 466 3HG2 THR 58 3HG2 THR 58 10.246 -14.095 -8.956 467 H THR 59 H THR 59 11.770 -15.771 -13.237 468 HA THR 59 HA THR 59 10.271 -18.115 -13.946 469 HB THR 59 HB THR 59 12.169 -17.779 -15.218 470 HG1 THR 59 HG1 THR 59 12.607 -20.332 -13.720 471 1HG2 THR 59 2HG2 THR 59 14.018 -17.670 -12.750 472 2HG2 THR 59 1HG2 THR 59 14.548 -17.808 -14.413 473 3HG2 THR 59 3HG2 THR 59 13.616 -16.444 -13.958 474 H GLN 60 H GLN 60 11.238 -16.980 -10.888 475 HA GLN 60 HA GLN 60 11.588 -19.682 -9.767 476 1HB GLN 60 2HB GLN 60 11.548 -16.979 -8.391 477 2HB GLN 60 1HB GLN 60 11.577 -18.469 -7.533 478 1HG GLN 60 2HG GLN 60 13.688 -19.178 -8.597 479 2HG GLN 60 1HG GLN 60 13.791 -17.720 -9.533 480 1HE2 GLN 60 2HE2 GLN 60 14.482 -15.575 -6.725 481 2HE2 GLN 60 1HE2 GLN 60 13.553 -15.619 -8.182 482 H GLY 61 H GLY 61 9.011 -17.526 -10.512 483 1HA GLY 61 2HA GLY 61 6.911 -19.071 -10.290 484 2HA GLY 61 1HA GLY 61 7.162 -18.687 -8.537 485 H GLU 62 H GLU 62 4.764 -17.976 -9.323 486 HA GLU 62 HA GLU 62 4.733 -15.318 -10.409 487 1HB GLU 62 2HB GLU 62 2.988 -17.407 -10.453 488 2HB GLU 62 1HB GLU 62 2.408 -16.680 -8.972 489 1HG GLU 62 2HG GLU 62 2.381 -14.452 -10.352 490 2HG GLU 62 1HG GLU 62 2.532 -15.501 -11.746 491 H VAL 63 H VAL 63 5.238 -13.536 -9.146 492 HA VAL 63 HA VAL 63 4.516 -13.664 -6.267 493 HB VAL 63 HB VAL 63 6.454 -12.602 -5.612 494 1HG1 VAL 63 1HG1 VAL 63 6.760 -15.019 -6.057 495 2HG1 VAL 63 3HG1 VAL 63 7.430 -14.644 -7.645 496 3HG1 VAL 63 2HG1 VAL 63 8.266 -14.115 -6.192 497 1HG2 VAL 63 2HG2 VAL 63 6.617 -11.113 -7.884 498 2HG2 VAL 63 1HG2 VAL 63 7.976 -11.348 -6.813 499 3HG2 VAL 63 3HG2 VAL 63 7.848 -12.307 -8.266 500 H VAL 64 H VAL 64 5.142 -11.160 -5.648 501 HA VAL 64 HA VAL 64 3.631 -9.320 -7.379 502 HB VAL 64 HB VAL 64 2.988 -10.071 -4.568 503 1HG1 VAL 64 2HG1 VAL 64 2.362 -7.359 -5.790 504 2HG1 VAL 64 3HG1 VAL 64 1.563 -8.032 -4.377 505 3HG1 VAL 64 1HG1 VAL 64 3.278 -7.605 -4.272 506 1HG2 VAL 64 3HG2 VAL 64 1.649 -10.836 -6.608 507 2HG2 VAL 64 2HG2 VAL 64 0.710 -9.898 -5.430 508 3HG2 VAL 64 1HG2 VAL 64 1.290 -9.124 -6.889 509 H LYS 65 H LYS 65 4.138 -7.051 -6.283 510 HA LYS 65 HA LYS 65 7.015 -6.834 -5.580 511 1HB LYS 65 2HB LYS 65 5.606 -5.395 -7.922 512 2HB LYS 65 1HB LYS 65 7.178 -4.914 -7.349 513 1HG LYS 65 2HG LYS 65 6.544 -7.697 -8.374 514 2HG LYS 65 1HG LYS 65 7.170 -6.473 -9.364 515 1HD LYS 65 2HD LYS 65 8.851 -6.696 -6.950 516 2HD LYS 65 1HD LYS 65 8.658 -8.239 -7.716 517 1HE LYS 65 1HE LYS 65 10.623 -7.239 -8.679 518 2HE LYS 65 2HE LYS 65 9.392 -7.156 -9.934 519 1HZ LYS 65 1HZ LYS 65 10.132 -4.976 -8.102 520 2HZ LYS 65 3HZ LYS 65 10.596 -5.142 -9.732 521 3HZ LYS 65 2HZ LYS 65 8.964 -4.910 -9.330 522 H HIS 66 H HIS 66 7.579 -4.455 -5.111 523 HA HIS 66 HA HIS 66 5.334 -2.890 -4.066 524 1HB HIS 66 2HB HIS 66 7.548 -4.159 -2.348 525 2HB HIS 66 1HB HIS 66 6.713 -2.713 -1.824 526 HD1 HIS 66 HD1 HIS 66 6.085 -6.379 -2.365 527 HD2 HIS 66 HD2 HIS 66 4.035 -2.930 -1.129 528 HE1 HIS 66 HE1 HIS 66 3.877 -7.132 -1.338 529 H TYR 67 H TYR 67 5.748 -0.853 -4.757 530 HA TYR 67 HA TYR 67 8.598 0.072 -4.877 531 1HB TYR 67 2HB TYR 67 6.384 1.091 -6.702 532 2HB TYR 67 1HB TYR 67 8.104 1.409 -6.834 533 HD1 TYR 67 HD2 TYR 67 5.419 -0.868 -7.345 534 HD2 TYR 67 HD1 TYR 67 9.571 -0.307 -7.822 535 HE1 TYR 67 HE2 TYR 67 5.437 -2.870 -8.658 536 HE2 TYR 67 HE1 TYR 67 9.724 -2.260 -9.264 537 HH TYR 67 HH TYR 67 7.417 -3.704 -10.864 538 H LYS 68 H LYS 68 8.999 1.631 -3.617 539 HA LYS 68 HA LYS 68 6.967 2.748 -1.939 540 1HB LYS 68 2HB LYS 68 8.943 4.029 -0.880 541 2HB LYS 68 1HB LYS 68 8.776 2.311 -0.706 542 1HG LYS 68 2HG LYS 68 11.018 2.782 -1.126 543 2HG LYS 68 1HG LYS 68 10.388 1.968 -2.537 544 1HD LYS 68 2HD LYS 68 10.311 4.035 -3.805 545 2HD LYS 68 1HD LYS 68 10.532 4.984 -2.352 546 1HE LYS 68 1HE LYS 68 12.649 5.107 -3.307 547 2HE LYS 68 2HE LYS 68 12.839 3.798 -2.140 548 1HZ LYS 68 3HZ LYS 68 12.233 3.486 -5.012 549 2HZ LYS 68 2HZ LYS 68 13.777 3.312 -4.328 550 3HZ LYS 68 1HZ LYS 68 12.530 2.229 -3.913 551 H ILE 69 H ILE 69 5.669 3.825 -3.172 552 HA ILE 69 HA ILE 69 6.548 6.252 -4.541 553 HB ILE 69 HB ILE 69 3.984 6.881 -4.286 554 1HG1 ILE 69 1HG1 ILE 69 3.511 4.549 -3.352 555 2HG1 ILE 69 2HG1 ILE 69 2.444 5.350 -4.463 556 1HG2 ILE 69 3HG2 ILE 69 5.404 7.005 -6.342 557 2HG2 ILE 69 2HG2 ILE 69 4.529 5.544 -6.820 558 3HG2 ILE 69 1HG2 ILE 69 3.651 6.981 -6.351 559 1HD1 ILE 69 3HD1 ILE 69 3.147 4.034 -6.372 560 2HD1 ILE 69 2HD1 ILE 69 4.298 3.145 -5.373 561 3HD1 ILE 69 1HD1 ILE 69 2.551 3.057 -5.076 562 H ARG 70 H ARG 70 7.460 7.816 -3.425 563 HA ARG 70 HA ARG 70 6.398 8.495 -0.744 564 1HB ARG 70 2HB ARG 70 8.816 9.383 -2.392 565 2HB ARG 70 1HB ARG 70 8.300 10.385 -1.090 566 1HG ARG 70 2HG ARG 70 9.902 9.109 -0.067 567 2HG ARG 70 1HG ARG 70 8.420 8.311 0.436 568 1HD ARG 70 2HD ARG 70 8.697 6.728 -1.489 569 2HD ARG 70 1HD ARG 70 10.279 7.428 -1.838 570 HE ARG 70 HE ARG 70 9.553 5.527 0.193 571 1HH1 ARG 70 1HH2 ARG 70 11.752 8.213 -0.416 572 2HH1 ARG 70 2HH2 ARG 70 12.908 7.695 0.765 573 1HH2 ARG 70 2HH1 ARG 70 11.088 4.862 1.709 574 2HH2 ARG 70 1HH1 ARG 70 12.535 5.779 1.963 575 H SER 71 H SER 71 6.331 10.993 -0.435 576 HA SER 71 HA SER 71 4.802 12.161 -2.689 577 1HB SER 71 2HB SER 71 3.693 13.400 -0.549 578 2HB SER 71 1HB SER 71 3.034 12.010 -1.199 579 HG SER 71 HG SER 71 4.777 10.997 0.921 580 H LEU 72 H LEU 72 5.831 13.789 -3.521 581 HA LEU 72 HA LEU 72 7.659 15.405 -1.907 582 1HB LEU 72 2HB LEU 72 7.497 15.506 -4.938 583 2HB LEU 72 1HB LEU 72 8.851 15.794 -3.885 584 HG LEU 72 HG LEU 72 9.353 13.794 -4.825 585 1HD1 LEU 72 2HD1 LEU 72 8.817 13.754 -2.020 586 2HD1 LEU 72 1HD1 LEU 72 8.573 12.141 -2.690 587 3HD1 LEU 72 3HD1 LEU 72 10.083 13.037 -2.929 588 1HD2 LEU 72 2HD2 LEU 72 6.821 13.495 -5.650 589 2HD2 LEU 72 1HD2 LEU 72 7.915 12.127 -5.572 590 3HD2 LEU 72 3HD2 LEU 72 6.764 12.364 -4.291 591 H ASP 73 H ASP 73 7.466 17.323 -1.610 592 HA ASP 73 HA ASP 73 4.961 18.643 -1.654 593 1HB ASP 73 2HB ASP 73 6.326 20.755 -1.167 594 2HB ASP 73 1HB ASP 73 6.572 19.420 -0.047 595 H ASN 74 H ASN 74 7.463 18.518 -4.063 596 HA ASN 74 HA ASN 74 5.773 20.267 -5.747 597 1HB ASN 74 2HB ASN 74 7.675 21.593 -6.500 598 2HB ASN 74 1HB ASN 74 7.396 21.715 -4.783 599 1HD2 ASN 74 2HD2 ASN 74 10.559 19.251 -5.000 600 2HD2 ASN 74 1HD2 ASN 74 8.937 18.729 -5.243 601 H GLY 75 H GLY 75 6.100 17.527 -5.713 602 1HA GLY 75 2HA GLY 75 6.530 17.271 -8.629 603 2HA GLY 75 1HA GLY 75 7.679 16.296 -7.660 604 H GLY 76 H GLY 76 4.941 16.236 -6.151 605 1HA GLY 76 2HA GLY 76 2.940 14.943 -6.177 606 2HA GLY 76 1HA GLY 76 3.536 14.169 -7.684 607 H TYR 77 H TYR 77 4.694 12.416 -7.712 608 HA TYR 77 HA TYR 77 5.404 11.077 -5.211 609 1HB TYR 77 2HB TYR 77 3.671 9.536 -7.267 610 2HB TYR 77 1HB TYR 77 4.376 8.944 -5.794 611 HD1 TYR 77 HD2 TYR 77 1.902 11.323 -7.082 612 HD2 TYR 77 HD1 TYR 77 3.194 8.990 -3.789 613 HE1 TYR 77 HE2 TYR 77 -0.296 11.639 -6.082 614 HE2 TYR 77 HE1 TYR 77 1.108 9.263 -2.686 615 HH TYR 77 HH TYR 77 -1.067 11.424 -3.031 616 H TYR 78 H TYR 78 6.961 9.785 -5.379 617 HA TYR 78 HA TYR 78 7.992 9.005 -8.103 618 1HB TYR 78 2HB TYR 78 10.177 9.754 -7.737 619 2HB TYR 78 1HB TYR 78 9.308 10.991 -6.914 620 HD1 TYR 78 HD2 TYR 78 11.200 7.845 -6.349 621 HD2 TYR 78 HD1 TYR 78 9.733 11.469 -4.668 622 HE1 TYR 78 HE2 TYR 78 12.395 7.314 -4.429 623 HE2 TYR 78 HE1 TYR 78 10.942 11.095 -2.688 624 HH TYR 78 HH TYR 78 13.411 9.220 -2.172 625 H ILE 79 H ILE 79 9.023 7.128 -8.279 626 HA ILE 79 HA ILE 79 8.991 5.370 -5.800 627 HB ILE 79 HB ILE 79 8.956 3.300 -7.192 628 1HG1 ILE 79 1HG1 ILE 79 8.077 5.285 -9.259 629 2HG1 ILE 79 2HG1 ILE 79 9.139 3.886 -9.298 630 1HG2 ILE 79 1HG2 ILE 79 7.234 3.765 -5.639 631 2HG2 ILE 79 3HG2 ILE 79 6.422 4.819 -6.797 632 3HG2 ILE 79 2HG2 ILE 79 6.529 3.079 -7.077 633 1HD1 ILE 79 3HD1 ILE 79 7.065 2.388 -9.036 634 2HD1 ILE 79 2HD1 ILE 79 6.053 3.833 -9.107 635 3HD1 ILE 79 1HD1 ILE 79 6.933 3.317 -10.493 636 H SER 80 H SER 80 10.436 6.039 -8.851 637 HA SER 80 HA SER 80 13.048 5.171 -7.820 638 1HB SER 80 2HB SER 80 12.150 4.303 -10.144 639 2HB SER 80 1HB SER 80 11.832 5.870 -10.618 640 HG SER 80 HG SER 80 14.780 5.652 -10.387 641 HA PRO 81 HA PRO 81 13.102 9.567 -7.004 642 1HB PRO 81 2HB PRO 81 16.032 9.524 -6.687 643 2HB PRO 81 1HB PRO 81 14.755 9.856 -5.491 644 1HG PRO 81 2HG PRO 81 16.237 7.534 -5.477 645 2HG PRO 81 1HG PRO 81 14.575 7.620 -4.892 646 1HD PRO 81 1HD PRO 81 15.588 6.583 -7.457 647 2HD PRO 81 2HD PRO 81 14.266 5.962 -6.431 648 H ARG 82 H ARG 82 14.873 8.261 -9.604 649 HA ARG 82 HA ARG 82 15.627 10.876 -10.679 650 1HB ARG 82 2HB ARG 82 16.759 9.796 -12.358 651 2HB ARG 82 1HB ARG 82 16.720 8.546 -11.171 652 1HG ARG 82 2HG ARG 82 15.986 7.221 -12.879 653 2HG ARG 82 1HG ARG 82 14.410 7.947 -12.630 654 1HD ARG 82 2HD ARG 82 14.641 8.388 -14.906 655 2HD ARG 82 1HD ARG 82 15.543 9.786 -14.344 656 HE ARG 82 HE ARG 82 17.510 8.762 -15.032 657 1HH1 ARG 82 1HH2 ARG 82 14.825 6.434 -15.136 658 2HH1 ARG 82 2HH2 ARG 82 15.731 5.255 -16.007 659 1HH2 ARG 82 2HH1 ARG 82 18.657 7.161 -16.162 660 2HH2 ARG 82 1HH1 ARG 82 17.902 5.657 -16.567 661 H ILE 83 H ILE 83 12.695 9.197 -10.484 662 HA ILE 83 HA ILE 83 11.458 10.923 -12.486 663 HB ILE 83 HB ILE 83 10.030 8.939 -13.189 664 1HG1 ILE 83 1HG1 ILE 83 12.319 7.567 -11.727 665 2HG1 ILE 83 2HG1 ILE 83 10.622 7.223 -11.739 666 1HG2 ILE 83 2HG2 ILE 83 11.656 10.246 -14.567 667 2HG2 ILE 83 1HG2 ILE 83 12.894 9.108 -14.014 668 3HG2 ILE 83 3HG2 ILE 83 11.545 8.547 -15.011 669 1HD1 ILE 83 2HD1 ILE 83 11.013 6.506 -14.201 670 2HD1 ILE 83 1HD1 ILE 83 12.692 6.961 -13.972 671 3HD1 ILE 83 3HD1 ILE 83 12.122 5.597 -13.080 672 H THR 84 H THR 84 9.863 11.697 -12.026 673 HA THR 84 HA THR 84 8.050 10.915 -9.811 674 HB THR 84 HB THR 84 8.421 13.905 -10.237 675 HG1 THR 84 HG1 THR 84 10.880 12.548 -9.302 676 1HG2 THR 84 1HG2 THR 84 6.866 13.074 -8.661 677 2HG2 THR 84 3HG2 THR 84 8.042 12.204 -7.774 678 3HG2 THR 84 2HG2 THR 84 8.124 13.962 -7.805 679 H PHE 85 H PHE 85 6.049 11.873 -9.916 680 HA PHE 85 HA PHE 85 5.004 12.868 -12.492 681 1HB PHE 85 2HB PHE 85 3.956 10.354 -11.086 682 2HB PHE 85 1HB PHE 85 3.305 11.011 -12.570 683 HD1 PHE 85 HD2 PHE 85 4.603 10.852 -14.697 684 HD2 PHE 85 HD1 PHE 85 6.061 9.074 -11.088 685 HE1 PHE 85 HE2 PHE 85 6.263 9.566 -15.984 686 HE2 PHE 85 HE1 PHE 85 7.704 7.781 -12.382 687 HZ PHE 85 HZ PHE 85 7.823 8.035 -14.824 688 HA PRO 86 HA PRO 86 2.930 15.384 -9.448 689 1HB PRO 86 2HB PRO 86 0.642 16.184 -10.804 690 2HB PRO 86 1HB PRO 86 2.262 16.773 -11.140 691 1HG PRO 86 2HG PRO 86 0.782 14.607 -12.611 692 2HG PRO 86 1HG PRO 86 1.704 15.946 -13.311 693 1HD PRO 86 1HD PRO 86 2.791 13.452 -13.095 694 2HD PRO 86 2HD PRO 86 3.794 14.896 -12.853 695 H THR 87 H THR 87 1.591 12.421 -10.497 696 HA THR 87 HA THR 87 0.235 12.082 -8.003 697 HB THR 87 HB THR 87 -1.603 13.128 -8.861 698 HG1 THR 87 HG1 THR 87 -2.262 10.253 -9.193 699 1HG2 THR 87 2HG2 THR 87 -1.092 11.950 -11.617 700 2HG2 THR 87 1HG2 THR 87 -2.589 12.808 -11.171 701 3HG2 THR 87 3HG2 THR 87 -1.042 13.585 -11.030 702 H LEU 88 H LEU 88 -0.616 9.750 -7.835 703 HA LEU 88 HA LEU 88 1.138 7.955 -9.068 704 1HB LEU 88 2HB LEU 88 -1.646 7.447 -7.880 705 2HB LEU 88 1HB LEU 88 -0.904 6.254 -8.815 706 HG LEU 88 HG LEU 88 -0.753 5.814 -6.597 707 1HD1 LEU 88 3HD1 LEU 88 1.058 5.185 -8.227 708 2HD1 LEU 88 2HD1 LEU 88 2.074 6.406 -7.517 709 3HD1 LEU 88 1HD1 LEU 88 1.410 5.087 -6.493 710 1HD2 LEU 88 3HD2 LEU 88 -0.548 7.903 -5.428 711 2HD2 LEU 88 2HD2 LEU 88 0.760 6.710 -5.098 712 3HD2 LEU 88 1HD2 LEU 88 1.084 8.106 -6.159 713 H GLN 89 H GLN 89 -1.994 9.360 -10.216 714 HA GLN 89 HA GLN 89 -2.396 7.127 -12.077 715 1HB GLN 89 2HB GLN 89 -4.319 7.998 -12.760 716 2HB GLN 89 1HB GLN 89 -4.235 8.516 -11.111 717 1HG GLN 89 2HG GLN 89 -3.138 10.681 -12.620 718 2HG GLN 89 1HG GLN 89 -4.446 9.936 -13.573 719 1HE2 GLN 89 2HE2 GLN 89 -5.200 11.499 -9.807 720 2HE2 GLN 89 1HE2 GLN 89 -3.712 10.734 -10.268 721 H ALA 90 H ALA 90 -0.833 10.219 -12.348 722 HA ALA 90 HA ALA 90 -0.393 9.922 -15.215 723 1HB ALA 90 2HB ALA 90 -0.280 12.197 -14.035 724 2HB ALA 90 1HB ALA 90 1.157 11.678 -13.155 725 3HB ALA 90 3HB ALA 90 1.229 11.893 -14.894 726 H LEU 91 H LEU 91 0.958 8.539 -12.477 727 HA LEU 91 HA LEU 91 3.532 7.802 -13.613 728 1HB LEU 91 2HB LEU 91 3.771 8.296 -11.414 729 2HB LEU 91 1HB LEU 91 2.190 7.965 -10.952 730 HG LEU 91 HG LEU 91 4.197 5.752 -11.476 731 1HD1 LEU 91 3HD1 LEU 91 3.715 7.273 -8.874 732 2HD1 LEU 91 1HD1 LEU 91 4.646 5.783 -9.011 733 3HD1 LEU 91 2HD1 LEU 91 5.214 7.250 -9.803 734 1HD2 LEU 91 2HD2 LEU 91 1.503 5.960 -10.033 735 2HD2 LEU 91 1HD2 LEU 91 2.046 4.814 -11.276 736 3HD2 LEU 91 3HD2 LEU 91 2.679 4.659 -9.668 737 H VAL 92 H VAL 92 0.300 6.411 -12.907 738 HA VAL 92 HA VAL 92 1.034 3.782 -13.666 739 HB VAL 92 HB VAL 92 -1.824 4.766 -13.418 740 1HG1 VAL 92 3HG1 VAL 92 -1.233 2.294 -13.840 741 2HG1 VAL 92 2HG1 VAL 92 -0.615 2.313 -12.155 742 3HG1 VAL 92 1HG1 VAL 92 -2.297 2.704 -12.481 743 1HG2 VAL 92 3HG2 VAL 92 0.048 4.671 -11.049 744 2HG2 VAL 92 2HG2 VAL 92 -1.446 5.586 -11.291 745 3HG2 VAL 92 1HG2 VAL 92 -1.497 3.959 -10.839 746 H GLN 93 H GLN 93 0.513 6.600 -15.387 747 HA GLN 93 HA GLN 93 -1.003 5.390 -17.602 748 1HB GLN 93 2HB GLN 93 -1.613 7.490 -18.305 749 2HB GLN 93 1HB GLN 93 -1.435 7.799 -16.600 750 1HG GLN 93 2HG GLN 93 0.843 8.766 -17.041 751 2HG GLN 93 1HG GLN 93 0.568 8.567 -18.762 752 1HE2 GLN 93 2HE2 GLN 93 -0.132 12.011 -17.837 753 2HE2 GLN 93 1HE2 GLN 93 1.208 10.915 -17.787 754 H HIS 94 H HIS 94 1.934 7.271 -16.978 755 HA HIS 94 HA HIS 94 3.204 7.007 -19.462 756 1HB HIS 94 2HB HIS 94 3.895 8.717 -17.839 757 2HB HIS 94 1HB HIS 94 4.224 7.523 -16.606 758 HD1 HIS 94 HD1 HIS 94 6.612 6.689 -16.499 759 HD2 HIS 94 HD2 HIS 94 5.725 8.514 -20.176 760 HE1 HIS 94 HE1 HIS 94 8.779 6.838 -17.786 761 H TYR 95 H TYR 95 3.380 5.158 -16.444 762 HA TYR 95 HA TYR 95 5.383 3.356 -17.501 763 1HB TYR 95 2HB TYR 95 3.554 3.278 -15.095 764 2HB TYR 95 1HB TYR 95 4.672 1.976 -15.413 765 HD1 TYR 95 HD1 TYR 95 6.983 3.971 -16.469 766 HD2 TYR 95 HD2 TYR 95 4.527 3.797 -12.952 767 HE1 TYR 95 HE1 TYR 95 8.711 4.949 -15.309 768 HE2 TYR 95 HE2 TYR 95 6.201 4.864 -11.699 769 HH TYR 95 HH TYR 95 9.251 4.434 -12.351 770 H SER 96 H SER 96 1.863 3.406 -17.710 771 HA SER 96 HA SER 96 1.775 0.644 -18.372 772 1HB SER 96 2HB SER 96 0.054 2.790 -19.825 773 2HB SER 96 1HB SER 96 -0.265 1.133 -19.791 774 HG SER 96 HG SER 96 -0.551 2.198 -17.013 775 H LYS 97 H LYS 97 2.944 3.310 -20.225 776 HA LYS 97 HA LYS 97 3.113 1.605 -22.602 777 1HB LYS 97 2HB LYS 97 4.012 4.493 -22.054 778 2HB LYS 97 1HB LYS 97 4.350 3.696 -23.559 779 1HG LYS 97 2HG LYS 97 2.397 5.054 -23.845 780 2HG LYS 97 1HG LYS 97 1.925 3.380 -23.999 781 1HD LYS 97 2HD LYS 97 0.936 3.373 -21.780 782 2HD LYS 97 1HD LYS 97 1.650 4.930 -21.398 783 1HE LYS 97 1HE LYS 97 -0.698 5.295 -21.860 784 2HE LYS 97 2HE LYS 97 0.192 5.957 -23.230 785 1HZ LYS 97 3HZ LYS 97 -0.239 3.917 -24.416 786 2HZ LYS 97 2HZ LYS 97 -1.115 3.321 -23.091 787 3HZ LYS 97 1HZ LYS 97 -1.674 4.689 -23.929 788 H LYS 98 H LYS 98 5.415 2.890 -20.126 789 HA LYS 98 HA LYS 98 7.255 0.762 -20.880 790 1HB LYS 98 2HB LYS 98 7.535 2.976 -22.296 791 2HB LYS 98 1HB LYS 98 8.210 3.680 -20.850 792 1HG LYS 98 2HG LYS 98 9.178 0.996 -21.785 793 2HG LYS 98 1HG LYS 98 9.674 2.405 -22.682 794 1HD LYS 98 2HD LYS 98 10.812 3.377 -20.821 795 2HD LYS 98 1HD LYS 98 10.029 2.326 -19.670 796 1HE LYS 98 1HE LYS 98 11.294 0.423 -20.304 797 2HE LYS 98 2HE LYS 98 11.825 1.143 -21.822 798 1HZ LYS 98 2HZ LYS 98 12.625 2.136 -19.168 799 2HZ LYS 98 1HZ LYS 98 13.555 1.121 -20.164 800 3HZ LYS 98 3HZ LYS 98 13.155 2.690 -20.667 801 H GLY 99 H GLY 99 7.393 -0.145 -18.990 802 1HA GLY 99 2HA GLY 99 6.913 0.897 -16.475 803 2HA GLY 99 1HA GLY 99 7.920 -0.547 -16.822 804 H ASP 100 H ASP 100 10.051 0.576 -18.096 805 HA ASP 100 HA ASP 100 12.115 1.326 -17.647 806 1HB ASP 100 2HB ASP 100 10.850 3.503 -18.004 807 2HB ASP 100 1HB ASP 100 10.745 3.709 -16.269 808 H GLY 101 H GLY 101 12.117 -0.504 -16.327 809 1HA GLY 101 2HA GLY 101 13.421 -1.449 -14.598 810 2HA GLY 101 1HA GLY 101 13.442 0.136 -13.758 811 H LEU 102 H LEU 102 10.297 -0.825 -14.676 812 HA LEU 102 HA LEU 102 9.620 -1.442 -11.905 813 1HB LEU 102 2HB LEU 102 8.120 -0.850 -14.477 814 2HB LEU 102 1HB LEU 102 7.223 -1.555 -13.212 815 HG LEU 102 HG LEU 102 8.589 1.141 -13.200 816 1HD1 LEU 102 3HD1 LEU 102 5.765 0.085 -12.828 817 2HD1 LEU 102 2HD1 LEU 102 6.197 1.774 -12.625 818 3HD1 LEU 102 1HD1 LEU 102 6.368 0.993 -14.215 819 1HD2 LEU 102 2HD2 LEU 102 7.327 -0.238 -10.766 820 2HD2 LEU 102 1HD2 LEU 102 9.017 0.292 -10.904 821 3HD2 LEU 102 3HD2 LEU 102 7.721 1.457 -10.875 822 H CYS 103 H CYS 103 10.984 -3.359 -13.990 823 HA CYS 103 HA CYS 103 11.268 -5.561 -14.078 824 1HB CYS 103 2HB CYS 103 10.327 -7.113 -12.651 825 2HB CYS 103 1HB CYS 103 10.228 -5.655 -11.715 826 HG CYS 103 HG CYS 103 7.912 -7.646 -11.735 827 H GLN 104 H GLN 104 7.875 -4.620 -14.396 828 HA GLN 104 HA GLN 104 7.607 -5.542 -17.059 829 1HB GLN 104 2HB GLN 104 6.041 -6.905 -14.759 830 2HB GLN 104 1HB GLN 104 5.447 -6.889 -16.393 831 1HG GLN 104 2HG GLN 104 8.021 -8.241 -15.445 832 2HG GLN 104 1HG GLN 104 6.540 -9.036 -15.916 833 1HE2 GLN 104 2HE2 GLN 104 9.232 -8.834 -18.635 834 2HE2 GLN 104 1HE2 GLN 104 9.347 -9.084 -16.927 835 H LYS 105 H LYS 105 6.887 -3.888 -17.737 836 HA LYS 105 HA LYS 105 5.959 -1.647 -16.697 837 1HB LYS 105 2HB LYS 105 5.419 -1.002 -18.877 838 2HB LYS 105 1HB LYS 105 6.456 -2.394 -19.138 839 1HG LYS 105 2HG LYS 105 4.107 -3.709 -19.242 840 2HG LYS 105 1HG LYS 105 3.467 -2.098 -19.563 841 1HD LYS 105 2HD LYS 105 5.673 -3.447 -21.197 842 2HD LYS 105 1HD LYS 105 3.973 -3.440 -21.611 843 1HE LYS 105 1HE LYS 105 3.963 -0.955 -21.620 844 2HE LYS 105 2HE LYS 105 5.697 -0.947 -21.283 845 1HZ LYS 105 1HZ LYS 105 6.040 -2.084 -23.373 846 2HZ LYS 105 3HZ LYS 105 4.371 -2.026 -23.688 847 3HZ LYS 105 2HZ LYS 105 5.262 -0.584 -23.545 848 H LEU 106 H LEU 106 4.153 -0.666 -16.338 849 HA LEU 106 HA LEU 106 2.132 -2.184 -14.982 850 1HB LEU 106 2HB LEU 106 2.437 0.758 -15.828 851 2HB LEU 106 1HB LEU 106 1.087 0.330 -14.895 852 HG LEU 106 HG LEU 106 3.983 0.342 -14.145 853 1HD1 LEU 106 1HD1 LEU 106 2.463 2.316 -13.749 854 2HD1 LEU 106 3HD1 LEU 106 1.587 1.375 -12.573 855 3HD1 LEU 106 2HD1 LEU 106 3.285 1.763 -12.294 856 1HD2 LEU 106 1HD2 LEU 106 2.943 -1.928 -13.159 857 2HD2 LEU 106 3HD2 LEU 106 3.857 -0.863 -12.132 858 3HD2 LEU 106 2HD2 LEU 106 2.135 -0.839 -12.018 859 H THR 107 H THR 107 -0.153 -2.551 -15.437 860 HA THR 107 HA THR 107 -0.840 -1.965 -18.248 861 HB THR 107 HB THR 107 -1.266 -3.954 -19.133 862 HG1 THR 107 HG1 THR 107 -1.702 -5.370 -16.602 863 1HG2 THR 107 1HG2 THR 107 1.321 -4.279 -17.607 864 2HG2 THR 107 3HG2 THR 107 0.820 -5.300 -18.944 865 3HG2 THR 107 2HG2 THR 107 1.023 -3.578 -19.173 866 H LEU 108 H LEU 108 -2.590 -4.324 -16.208 867 HA LEU 108 HA LEU 108 -4.868 -2.374 -16.486 868 1HB LEU 108 2HB LEU 108 -5.054 -5.381 -16.793 869 2HB LEU 108 1HB LEU 108 -6.350 -4.262 -16.985 870 HG LEU 108 HG LEU 108 -3.902 -4.059 -18.763 871 1HD1 LEU 108 1HD1 LEU 108 -4.635 -6.368 -18.932 872 2HD1 LEU 108 3HD1 LEU 108 -6.292 -5.850 -19.258 873 3HD1 LEU 108 2HD1 LEU 108 -5.006 -5.486 -20.411 874 1HD2 LEU 108 3HD2 LEU 108 -5.493 -2.140 -18.768 875 2HD2 LEU 108 2HD2 LEU 108 -5.500 -2.983 -20.312 876 3HD2 LEU 108 1HD2 LEU 108 -6.817 -3.235 -19.167 877 HA PRO 109 HA PRO 109 -5.125 -2.992 -12.056 878 1HB PRO 109 2HB PRO 109 -8.042 -2.404 -12.282 879 2HB PRO 109 1HB PRO 109 -6.790 -1.589 -11.328 880 1HG PRO 109 2HG PRO 109 -7.820 -0.465 -13.623 881 2HG PRO 109 1HG PRO 109 -6.181 -0.197 -13.056 882 1HD PRO 109 1HD PRO 109 -7.008 -1.939 -15.347 883 2HD PRO 109 2HD PRO 109 -5.523 -1.005 -15.081 884 H CYS 110 H CYS 110 -5.396 -4.578 -10.829 885 HA CYS 110 HA CYS 110 -6.151 -7.120 -11.800 886 1HB CYS 110 2HB CYS 110 -4.528 -6.887 -10.120 887 2HB CYS 110 1HB CYS 110 -5.591 -6.069 -9.007 888 HG CYS 110 HG CYS 110 -5.530 -9.441 -9.766 889 H VAL 111 H VAL 111 -7.783 -8.612 -10.963 890 HA VAL 111 HA VAL 111 -10.373 -7.334 -10.990 891 HB VAL 111 HB VAL 111 -9.815 -9.574 -12.022 892 1HG1 VAL 111 1HG1 VAL 111 -8.747 -10.624 -9.916 893 2HG1 VAL 111 3HG1 VAL 111 -10.387 -10.782 -9.296 894 3HG1 VAL 111 2HG1 VAL 111 -9.944 -11.604 -10.759 895 1HG2 VAL 111 1HG2 VAL 111 -12.137 -8.714 -11.834 896 2HG2 VAL 111 3HG2 VAL 111 -12.097 -10.464 -11.653 897 3HG2 VAL 111 2HG2 VAL 111 -12.291 -9.437 -10.235 898 H ASN 112 H ASN 112 -8.188 -8.748 -8.622 899 HA ASN 112 HA ASN 112 -8.133 -8.776 -6.343 900 1HB ASN 112 2HB ASN 112 -9.483 -6.230 -7.123 901 2HB ASN 112 1HB ASN 112 -9.668 -6.621 -5.433 902 1HD2 ASN 112 2HD2 ASN 112 -6.653 -5.371 -4.524 903 2HD2 ASN 112 1HD2 ASN 112 -8.275 -5.844 -4.174 904 H LEU 113 H LEU 113 -9.837 -10.463 -7.545 905 HA LEU 113 HA LEU 113 -11.320 -12.042 -7.120 906 1HB LEU 113 2HB LEU 113 -12.087 -10.683 -4.488 907 2HB LEU 113 1HB LEU 113 -12.468 -12.311 -4.958 908 HG LEU 113 HG LEU 113 -9.669 -11.218 -4.476 909 1HD1 LEU 113 3HD1 LEU 113 -10.970 -11.462 -2.396 910 2HD1 LEU 113 2HD1 LEU 113 -11.323 -13.142 -2.794 911 3HD1 LEU 113 1HD1 LEU 113 -9.666 -12.643 -2.464 912 1HD2 LEU 113 2HD2 LEU 113 -10.554 -14.055 -5.208 913 2HD2 LEU 113 1HD2 LEU 113 -9.508 -12.996 -6.158 914 3HD2 LEU 113 3HD2 LEU 113 -8.943 -13.633 -4.628 915 H ALA 114 HN ALA 114 -12.697 -8.995 -5.992 916 HA ALA 114 HA ALA 114 -14.563 -8.909 -8.213 917 1HB ALA 114 1HB ALA 114 -15.542 -9.015 -5.286 918 2HB ALA 114 3HB ALA 114 -16.573 -8.664 -6.674 919 3HB ALA 114 2HB ALA 114 -15.828 -10.250 -6.506 No H/Q in entry = 919 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -15.230 21.751 -24.174 2 2H GLY 1 3H GLY 1 -13.638 21.765 -23.586 3 3H GLY 1 2H GLY 1 -14.695 20.511 -23.149 4 1HA GLY 1 2HA GLY 1 -14.427 22.031 -21.347 5 2HA GLY 1 1HA GLY 1 -14.921 23.363 -22.455 6 H SER 2 H SER 2 -15.951 21.724 -19.936 7 HA SER 2 HA SER 2 -17.938 21.335 -18.949 8 1HB SER 2 2HB SER 2 -19.544 22.764 -21.127 9 2HB SER 2 1HB SER 2 -19.756 22.770 -19.456 10 HG SER 2 HG SER 2 -17.258 24.308 -20.122 11 H VAL 3 H VAL 3 -16.983 19.310 -20.333 12 HA VAL 3 HA VAL 3 -19.357 17.775 -20.895 13 HB VAL 3 HB VAL 3 -18.992 18.879 -23.080 14 1HG1 VAL 3 2HG1 VAL 3 -16.565 19.325 -22.973 15 2HG1 VAL 3 1HG1 VAL 3 -16.222 17.608 -23.163 16 3HG1 VAL 3 3HG1 VAL 3 -16.994 18.506 -24.464 17 1HG2 VAL 3 2HG2 VAL 3 -19.878 16.534 -23.065 18 2HG2 VAL 3 1HG2 VAL 3 -19.008 16.923 -24.544 19 3HG2 VAL 3 3HG2 VAL 3 -18.241 15.925 -23.317 20 H ALA 4 H ALA 4 -19.035 15.635 -20.871 21 HA ALA 4 HA ALA 4 -17.802 13.661 -20.894 22 1HB ALA 4 3HB ALA 4 -15.497 14.669 -20.967 23 2HB ALA 4 2HB ALA 4 -15.612 15.062 -19.248 24 3HB ALA 4 1HB ALA 4 -15.579 13.391 -19.769 25 HA PRO 5 HA PRO 5 -19.806 12.795 -17.035 26 1HB PRO 5 2HB PRO 5 -19.287 10.105 -16.677 27 2HB PRO 5 1HB PRO 5 -20.248 10.726 -17.995 28 1HG PRO 5 2HG PRO 5 -17.336 9.982 -18.131 29 2HG PRO 5 1HG PRO 5 -18.618 9.539 -19.264 30 1HD PRO 5 1HD PRO 5 -16.928 11.654 -19.742 31 2HD PRO 5 2HD PRO 5 -18.612 11.652 -20.299 32 H VAL 6 H VAL 6 -17.480 10.455 -16.126 33 HA VAL 6 HA VAL 6 -16.056 10.246 -14.454 34 HB VAL 6 HB VAL 6 -15.451 13.223 -14.595 35 1HG1 VAL 6 3HG1 VAL 6 -13.733 10.831 -13.770 36 2HG1 VAL 6 2HG1 VAL 6 -13.172 12.497 -13.883 37 3HG1 VAL 6 1HG1 VAL 6 -14.370 12.056 -12.681 38 1HG2 VAL 6 1HG2 VAL 6 -14.343 10.969 -16.350 39 2HG2 VAL 6 3HG2 VAL 6 -15.292 12.345 -16.910 40 3HG2 VAL 6 2HG2 VAL 6 -13.680 12.599 -16.273 41 H GLU 7 H GLU 7 -18.606 10.392 -14.004 42 HA GLU 7 HA GLU 7 -19.234 11.958 -11.626 43 1HB GLU 7 2HB GLU 7 -21.501 10.869 -11.935 44 2HB GLU 7 1HB GLU 7 -20.946 11.747 -13.332 45 1HG GLU 7 2HG GLU 7 -20.217 9.567 -14.415 46 2HG GLU 7 1HG GLU 7 -20.821 8.699 -13.017 47 H THR 8 H THR 8 -18.335 8.804 -12.599 48 HA THR 8 HA THR 8 -18.745 7.537 -9.995 49 HB THR 8 HB THR 8 -17.739 5.558 -11.319 50 HG1 THR 8 HG1 THR 8 -17.717 7.366 -13.704 51 1HG2 THR 8 3HG2 THR 8 -20.442 6.722 -12.189 52 2HG2 THR 8 2HG2 THR 8 -19.854 5.100 -12.586 53 3HG2 THR 8 1HG2 THR 8 -20.034 5.606 -10.927 54 H LEU 9 H LEU 9 -17.109 6.620 -8.794 55 HA LEU 9 HA LEU 9 -14.481 7.949 -9.089 56 1HB LEU 9 2HB LEU 9 -15.791 6.373 -6.812 57 2HB LEU 9 1HB LEU 9 -14.114 6.835 -6.790 58 HG LEU 9 HG LEU 9 -14.765 9.242 -7.039 59 1HD1 LEU 9 2HD1 LEU 9 -17.610 8.194 -6.680 60 2HD1 LEU 9 1HD1 LEU 9 -17.141 9.868 -6.398 61 3HD1 LEU 9 3HD1 LEU 9 -16.998 9.196 -8.002 62 1HD2 LEU 9 2HD2 LEU 9 -14.215 8.256 -4.833 63 2HD2 LEU 9 1HD2 LEU 9 -15.444 9.504 -4.671 64 3HD2 LEU 9 3HD2 LEU 9 -15.903 7.804 -4.596 65 H GLU 10 H GLU 10 -13.938 6.882 -10.895 66 HA GLU 10 HA GLU 10 -13.574 3.992 -10.977 67 1HB GLU 10 2HB GLU 10 -12.480 4.792 -13.326 68 2HB GLU 10 1HB GLU 10 -14.165 4.550 -13.058 69 1HG GLU 10 2HG GLU 10 -13.858 6.627 -14.274 70 2HG GLU 10 1HG GLU 10 -14.555 6.975 -12.731 71 H VAL 11 H VAL 11 -12.379 4.051 -9.138 72 HA VAL 11 HA VAL 11 -9.606 4.957 -9.114 73 HB VAL 11 HB VAL 11 -9.630 3.951 -6.818 74 1HG1 VAL 11 1HG1 VAL 11 -10.401 6.280 -7.131 75 2HG1 VAL 11 3HG1 VAL 11 -12.060 5.718 -7.319 76 3HG1 VAL 11 2HG1 VAL 11 -11.222 5.491 -5.790 77 1HG2 VAL 11 3HG2 VAL 11 -12.461 3.026 -7.538 78 2HG2 VAL 11 2HG2 VAL 11 -11.100 2.013 -7.100 79 3HG2 VAL 11 1HG2 VAL 11 -11.818 3.065 -5.898 80 H GLU 12 H GLU 12 -11.460 2.019 -9.452 81 HA GLU 12 HA GLU 12 -11.030 -0.083 -10.083 82 1HB GLU 12 2HB GLU 12 -8.285 0.833 -11.095 83 2HB GLU 12 1HB GLU 12 -9.229 -0.524 -11.665 84 1HG GLU 12 2HG GLU 12 -11.030 1.135 -12.417 85 2HG GLU 12 1HG GLU 12 -9.935 2.434 -12.005 86 H LYS 13 H LYS 13 -8.546 -1.569 -10.136 87 HA LYS 13 HA LYS 13 -8.187 -1.809 -7.212 88 1HB LYS 13 2HB LYS 13 -7.250 -3.532 -9.523 89 2HB LYS 13 1HB LYS 13 -6.791 -3.845 -7.882 90 1HG LYS 13 2HG LYS 13 -9.719 -3.577 -8.670 91 2HG LYS 13 1HG LYS 13 -8.899 -5.103 -8.787 92 1HD LYS 13 2HD LYS 13 -8.626 -3.625 -6.170 93 2HD LYS 13 1HD LYS 13 -10.174 -4.331 -6.547 94 1HE LYS 13 1HE LYS 13 -8.954 -6.549 -6.921 95 2HE LYS 13 2HE LYS 13 -7.505 -5.774 -6.268 96 1HZ LYS 13 2HZ LYS 13 -10.097 -5.861 -4.867 97 2HZ LYS 13 1HZ LYS 13 -8.880 -7.033 -4.716 98 3HZ LYS 13 3HZ LYS 13 -8.583 -5.423 -4.243 99 H TRP 14 H TRP 14 -6.737 -0.078 -9.824 100 HA TRP 14 HA TRP 14 -4.084 -0.454 -8.867 101 1HB TRP 14 2HB TRP 14 -3.200 0.972 -10.334 102 2HB TRP 14 1HB TRP 14 -4.581 0.390 -11.177 103 HD1 TRP 14 HD1 TRP 14 -5.861 2.170 -12.479 104 HE1 TRP 14 HE1 TRP 14 -5.764 4.706 -12.646 105 HE3 TRP 14 HE3 TRP 14 -3.021 3.174 -8.336 106 HZ2 TRP 14 HZ2 TRP 14 -4.465 6.912 -11.192 107 HZ3 TRP 14 HZ3 TRP 14 -2.494 5.501 -7.775 108 HH2 TRP 14 HH2 TRP 14 -3.289 7.361 -9.220 109 H PHE 15 H PHE 15 -6.557 2.092 -8.328 110 HA PHE 15 HA PHE 15 -4.808 3.162 -6.237 111 1HB PHE 15 2HB PHE 15 -6.037 4.651 -7.867 112 2HB PHE 15 1HB PHE 15 -7.516 4.271 -7.031 113 HD1 PHE 15 HD2 PHE 15 -3.981 5.128 -6.043 114 HD2 PHE 15 HD1 PHE 15 -8.150 5.932 -5.493 115 HE1 PHE 15 HE2 PHE 15 -3.428 6.878 -4.413 116 HE2 PHE 15 HE1 PHE 15 -7.585 7.684 -3.856 117 HZ PHE 15 HZ PHE 15 -5.213 8.167 -3.320 118 H PHE 16 H PHE 16 -4.709 2.017 -4.503 119 HA PHE 16 HA PHE 16 -7.194 1.312 -3.036 120 1HB PHE 16 2HB PHE 16 -4.913 -0.441 -3.891 121 2HB PHE 16 1HB PHE 16 -5.070 -0.520 -2.172 122 HD1 PHE 16 HD2 PHE 16 -7.911 -0.086 -4.622 123 HD2 PHE 16 HD1 PHE 16 -5.839 -2.718 -1.939 124 HE1 PHE 16 HE2 PHE 16 -9.776 -1.647 -4.729 125 HE2 PHE 16 HE1 PHE 16 -7.743 -4.296 -2.081 126 HZ PHE 16 HZ PHE 16 -9.713 -3.750 -3.441 127 H ARG 17 H ARG 17 -6.396 0.642 -0.749 128 HA ARG 17 HA ARG 17 -4.893 2.958 0.371 129 1HB ARG 17 2HB ARG 17 -7.462 1.539 1.264 130 2HB ARG 17 1HB ARG 17 -6.479 2.287 2.481 131 1HG ARG 17 2HG ARG 17 -6.573 4.449 1.312 132 2HG ARG 17 1HG ARG 17 -7.615 3.767 0.074 133 1HD ARG 17 2HD ARG 17 -9.340 3.218 1.832 134 2HD ARG 17 1HD ARG 17 -8.316 3.926 3.074 135 HE ARG 17 HE ARG 17 -10.039 5.276 1.220 136 1HH1 ARG 17 1HH2 ARG 17 -7.007 5.614 3.005 137 2HH1 ARG 17 2HH2 ARG 17 -7.094 7.337 3.082 138 1HH2 ARG 17 2HH1 ARG 17 -10.126 7.551 1.348 139 2HH2 ARG 17 1HH1 ARG 17 -8.866 8.436 2.142 140 H THR 18 H THR 18 -4.369 2.335 2.716 141 HA THR 18 HA THR 18 -2.352 0.488 2.738 142 HB THR 18 HB THR 18 -2.216 2.295 4.168 143 HG1 THR 18 HG1 THR 18 -2.307 -0.088 5.949 144 1HG2 THR 18 1HG2 THR 18 -4.536 2.908 4.433 145 2HG2 THR 18 2HG2 THR 18 -4.907 1.627 5.519 146 3HG2 THR 18 3HG2 THR 18 -3.770 2.917 5.982 147 H ILE 19 H ILE 19 -3.645 -1.176 1.919 148 HA ILE 19 HA ILE 19 -5.193 -2.871 3.753 149 HB ILE 19 HB ILE 19 -5.421 -2.674 1.163 150 1HG1 ILE 19 1HG1 ILE 19 -5.385 -5.352 2.414 151 2HG1 ILE 19 2HG1 ILE 19 -6.723 -4.272 2.289 152 1HG2 ILE 19 2HG2 ILE 19 -2.849 -3.106 0.819 153 2HG2 ILE 19 1HG2 ILE 19 -3.374 -4.797 0.820 154 3HG2 ILE 19 3HG2 ILE 19 -4.050 -3.615 -0.354 155 1HD1 ILE 19 1HD1 ILE 19 -6.626 -4.401 -0.219 156 2HD1 ILE 19 3HD1 ILE 19 -5.350 -5.604 -0.126 157 3HD1 ILE 19 2HD1 ILE 19 -6.962 -5.973 0.501 158 H SER 20 H SER 20 -4.249 -5.154 4.155 159 HA SER 20 HA SER 20 -1.588 -4.573 5.182 160 1HB SER 20 2HB SER 20 -3.043 -6.332 6.306 161 2HB SER 20 1HB SER 20 -3.044 -7.238 4.877 162 HG SER 20 HG SER 20 -0.247 -7.258 5.921 163 H ARG 21 H ARG 21 0.304 -5.522 4.560 164 HA ARG 21 HA ARG 21 1.062 -5.428 1.945 165 1HB ARG 21 2HB ARG 21 2.536 -5.611 4.080 166 2HB ARG 21 1HB ARG 21 2.401 -7.343 3.948 167 1HG ARG 21 2HG ARG 21 3.344 -7.190 1.610 168 2HG ARG 21 1HG ARG 21 3.596 -5.483 1.853 169 1HD ARG 21 2HD ARG 21 5.739 -6.648 2.335 170 2HD ARG 21 1HD ARG 21 5.099 -6.022 3.845 171 HE ARG 21 HE ARG 21 4.864 -8.162 4.608 172 1HH1 ARG 21 1HH2 ARG 21 5.181 -8.224 1.095 173 2HH1 ARG 21 2HH2 ARG 21 5.111 -9.947 0.986 174 1HH2 ARG 21 2HH1 ARG 21 4.854 -10.438 4.440 175 2HH2 ARG 21 1HH1 ARG 21 4.983 -11.204 2.892 176 H LYS 22 H LYS 22 0.197 -8.451 3.728 177 HA LYS 22 HA LYS 22 0.496 -9.968 1.295 178 1HB LYS 22 2HB LYS 22 -0.096 -11.858 2.387 179 2HB LYS 22 1HB LYS 22 0.902 -10.917 3.500 180 1HG LYS 22 2HG LYS 22 -1.642 -12.257 3.836 181 2HG LYS 22 1HG LYS 22 -0.568 -11.574 5.039 182 1HD LYS 22 2HD LYS 22 -1.768 -9.355 4.203 183 2HD LYS 22 1HD LYS 22 -2.987 -10.478 3.716 184 1HE LYS 22 1HE LYS 22 -3.124 -11.416 6.037 185 2HE LYS 22 2HE LYS 22 -1.894 -10.283 6.578 186 1HZ LYS 22 2HZ LYS 22 -4.490 -9.489 5.446 187 2HZ LYS 22 1HZ LYS 22 -4.142 -9.632 7.111 188 3HZ LYS 22 3HZ LYS 22 -3.315 -8.498 6.150 189 H ASP 23 H ASP 23 -1.921 -8.019 2.371 190 HA ASP 23 HA ASP 23 -4.026 -9.680 1.314 191 1HB ASP 23 2HB ASP 23 -3.993 -6.762 2.305 192 2HB ASP 23 1HB ASP 23 -5.416 -7.333 1.524 193 H ALA 24 H ALA 24 -2.066 -7.093 0.386 194 HA ALA 24 HA ALA 24 -3.474 -6.515 -2.148 195 1HB ALA 24 2HB ALA 24 -0.817 -5.577 -0.967 196 2HB ALA 24 1HB ALA 24 -1.424 -5.080 -2.581 197 3HB ALA 24 3HB ALA 24 -2.357 -4.714 -1.138 198 H GLU 25 H GLU 25 -0.923 -8.557 -0.961 199 HA GLU 25 HA GLU 25 0.135 -9.310 -3.541 200 1HB GLU 25 2HB GLU 25 0.300 -10.628 -0.769 201 2HB GLU 25 1HB GLU 25 1.076 -11.301 -2.164 202 1HG GLU 25 2HG GLU 25 2.491 -9.267 -2.415 203 2HG GLU 25 1HG GLU 25 1.755 -8.545 -1.018 204 H ARG 26 H ARG 26 -2.482 -10.318 -1.375 205 HA ARG 26 HA ARG 26 -2.835 -12.904 -2.518 206 1HB ARG 26 2HB ARG 26 -4.666 -13.087 -1.030 207 2HB ARG 26 1HB ARG 26 -3.789 -11.780 -0.298 208 1HG ARG 26 2HG ARG 26 -5.482 -10.296 -1.814 209 2HG ARG 26 1HG ARG 26 -6.417 -11.731 -1.737 210 1HD ARG 26 2HD ARG 26 -5.713 -11.301 0.977 211 2HD ARG 26 1HD ARG 26 -5.986 -9.667 0.344 212 HE ARG 26 HE ARG 26 -8.087 -11.355 -0.541 213 1HH1 ARG 26 1HH2 ARG 26 -6.775 -9.933 2.422 214 2HH1 ARG 26 2HH2 ARG 26 -8.316 -9.843 3.194 215 1HH2 ARG 26 2HH1 ARG 26 -10.088 -11.231 0.535 216 2HH2 ARG 26 1HH1 ARG 26 -10.183 -10.588 2.137 217 H GLN 27 H GLN 27 -3.893 -9.761 -3.241 218 HA GLN 27 HA GLN 27 -5.939 -10.409 -5.090 219 1HB GLN 27 2HB GLN 27 -4.291 -7.866 -4.836 220 2HB GLN 27 1HB GLN 27 -5.670 -7.977 -5.904 221 1HG GLN 27 2HG GLN 27 -5.754 -8.600 -2.959 222 2HG GLN 27 1HG GLN 27 -6.234 -7.031 -3.609 223 1HE2 GLN 27 2HE2 GLN 27 -9.062 -9.541 -3.006 224 2HE2 GLN 27 1HE2 GLN 27 -7.662 -9.124 -2.074 225 H LEU 28 H LEU 28 -2.513 -9.429 -5.583 226 HA LEU 28 HA LEU 28 -2.849 -9.614 -8.405 227 1HB LEU 28 2HB LEU 28 -0.375 -9.113 -6.800 228 2HB LEU 28 1HB LEU 28 -0.523 -8.864 -8.539 229 HG LEU 28 HG LEU 28 -2.271 -7.535 -6.461 230 1HD1 LEU 28 3HD1 LEU 28 0.118 -6.824 -6.391 231 2HD1 LEU 28 2HD1 LEU 28 -0.030 -6.303 -8.068 232 3HD1 LEU 28 1HD1 LEU 28 -0.995 -5.524 -6.801 233 1HD2 LEU 28 3HD2 LEU 28 -2.248 -7.442 -9.465 234 2HD2 LEU 28 2HD2 LEU 28 -3.608 -7.538 -8.381 235 3HD2 LEU 28 1HD2 LEU 28 -2.760 -6.012 -8.566 236 H LEU 29 H LEU 29 -1.367 -11.773 -5.878 237 HA LEU 29 HA LEU 29 -0.249 -13.600 -7.692 238 1HB LEU 29 2HB LEU 29 -1.351 -13.933 -4.873 239 2HB LEU 29 1HB LEU 29 -0.454 -15.183 -5.685 240 HG LEU 29 HG LEU 29 0.706 -12.393 -5.255 241 1HD1 LEU 29 2HD1 LEU 29 0.070 -13.319 -3.104 242 2HD1 LEU 29 1HD1 LEU 29 0.980 -14.795 -3.429 243 3HD1 LEU 29 3HD1 LEU 29 1.825 -13.249 -3.273 244 1HD2 LEU 29 2HD2 LEU 29 1.996 -15.122 -5.877 245 2HD2 LEU 29 1HD2 LEU 29 1.912 -13.753 -6.977 246 3HD2 LEU 29 3HD2 LEU 29 2.868 -13.641 -5.503 247 H ALA 30 H ALA 30 -3.616 -12.911 -6.847 248 HA ALA 30 HA ALA 30 -4.710 -15.438 -7.242 249 1HB ALA 30 2HB ALA 30 -5.939 -13.303 -6.509 250 2HB ALA 30 1HB ALA 30 -5.943 -12.780 -8.194 251 3HB ALA 30 3HB ALA 30 -6.809 -14.233 -7.717 252 HA PRO 31 HA PRO 31 -3.924 -16.237 -11.552 253 1HB PRO 31 2HB PRO 31 -5.894 -18.116 -12.089 254 2HB PRO 31 1HB PRO 31 -4.475 -18.418 -11.096 255 1HG PRO 31 2HG PRO 31 -7.220 -17.664 -10.129 256 2HG PRO 31 1HG PRO 31 -6.176 -18.959 -9.506 257 1HD PRO 31 1HD PRO 31 -6.347 -16.559 -8.262 258 2HD PRO 31 2HD PRO 31 -4.795 -17.432 -8.356 259 H MET 32 H MET 32 -6.435 -14.259 -10.538 260 HA MET 32 HA MET 32 -8.181 -14.163 -12.657 261 1HB MET 32 2HB MET 32 -7.265 -12.240 -10.482 262 2HB MET 32 1HB MET 32 -8.681 -12.022 -11.440 263 1HG MET 32 2HG MET 32 -9.462 -14.368 -10.582 264 2HG MET 32 1HG MET 32 -8.193 -14.214 -9.400 265 1HE MET 32 2HE MET 32 -7.933 -11.494 -8.466 266 2HE MET 32 1HE MET 32 -9.251 -11.025 -7.401 267 3HE MET 32 3HE MET 32 -8.424 -12.582 -7.159 268 H ASN 33 H ASN 33 -5.117 -12.567 -11.929 269 HA ASN 33 HA ASN 33 -5.009 -11.476 -14.670 270 1HB ASN 33 2HB ASN 33 -4.371 -9.799 -12.158 271 2HB ASN 33 1HB ASN 33 -4.149 -9.258 -13.813 272 1HD2 ASN 33 2HD2 ASN 33 -7.350 -8.095 -14.243 273 2HD2 ASN 33 1HD2 ASN 33 -5.720 -8.221 -14.822 274 H LYS 34 H LYS 34 -2.779 -10.189 -14.732 275 HA LYS 34 HA LYS 34 -0.598 -11.826 -13.668 276 1HB LYS 34 2HB LYS 34 0.398 -11.792 -16.095 277 2HB LYS 34 1HB LYS 34 -0.810 -12.962 -15.701 278 1HG LYS 34 2HG LYS 34 -1.132 -11.900 -17.922 279 2HG LYS 34 1HG LYS 34 -2.529 -11.817 -16.889 280 1HD LYS 34 2HD LYS 34 -2.313 -9.499 -16.534 281 2HD LYS 34 1HD LYS 34 -0.628 -9.446 -16.996 282 1HE LYS 34 1HE LYS 34 -2.019 -8.424 -18.762 283 2HE LYS 34 2HE LYS 34 -1.225 -9.857 -19.370 284 1HZ LYS 34 2HZ LYS 34 -4.018 -9.726 -18.441 285 2HZ LYS 34 1HZ LYS 34 -3.490 -9.669 -20.053 286 3HZ LYS 34 3HZ LYS 34 -3.240 -11.071 -19.133 287 H ALA 35 H ALA 35 1.553 -10.866 -14.237 288 HA ALA 35 HA ALA 35 2.220 -8.619 -13.199 289 1HB ALA 35 2HB ALA 35 3.739 -10.220 -14.432 290 2HB ALA 35 1HB ALA 35 3.299 -9.453 -15.950 291 3HB ALA 35 3HB ALA 35 4.158 -8.543 -14.700 292 H GLY 36 H GLY 36 1.710 -6.612 -13.219 293 1HA GLY 36 2HA GLY 36 1.621 -4.563 -14.293 294 2HA GLY 36 1HA GLY 36 0.748 -5.240 -15.674 295 H SER 37 H SER 37 -0.952 -6.820 -13.840 296 HA SER 37 HA SER 37 -2.828 -5.007 -12.802 297 1HB SER 37 2HB SER 37 -3.620 -7.044 -11.406 298 2HB SER 37 1HB SER 37 -3.715 -7.239 -13.065 299 HG SER 37 HG SER 37 -1.171 -8.496 -12.380 300 H PHE 38 H PHE 38 -2.614 -3.633 -11.159 301 HA PHE 38 HA PHE 38 -0.565 -4.238 -9.070 302 1HB PHE 38 2HB PHE 38 -1.356 -1.597 -10.473 303 2HB PHE 38 1HB PHE 38 -0.518 -1.574 -8.969 304 HD1 PHE 38 HD2 PHE 38 0.569 -4.056 -11.580 305 HD2 PHE 38 HD1 PHE 38 1.127 -0.214 -9.854 306 HE1 PHE 38 HE2 PHE 38 2.686 -3.756 -12.790 307 HE2 PHE 38 HE1 PHE 38 3.361 -0.071 -10.836 308 HZ PHE 38 HZ PHE 38 4.113 -1.884 -12.380 309 H LEU 39 H LEU 39 -0.788 -2.744 -7.329 310 HA LEU 39 HA LEU 39 -3.347 -2.049 -6.008 311 1HB LEU 39 2HB LEU 39 -1.101 -3.880 -5.161 312 2HB LEU 39 1HB LEU 39 -1.689 -2.895 -3.902 313 HG LEU 39 HG LEU 39 -2.522 -5.300 -4.172 314 1HD1 LEU 39 2HD1 LEU 39 -3.177 -3.425 -2.618 315 2HD1 LEU 39 1HD1 LEU 39 -4.351 -2.920 -3.778 316 3HD1 LEU 39 3HD1 LEU 39 -4.556 -4.501 -2.967 317 1HD2 LEU 39 2HD2 LEU 39 -3.384 -5.262 -6.474 318 2HD2 LEU 39 1HD2 LEU 39 -4.580 -5.631 -5.227 319 3HD2 LEU 39 3HD2 LEU 39 -4.604 -4.040 -6.004 320 H ILE 40 H ILE 40 -3.013 0.207 -5.352 321 HA ILE 40 HA ILE 40 -0.128 0.769 -4.576 322 HB ILE 40 HB ILE 40 -1.528 1.920 -6.759 323 1HG1 ILE 40 1HG1 ILE 40 0.233 3.891 -5.276 324 2HG1 ILE 40 2HG1 ILE 40 0.931 2.347 -5.692 325 1HG2 ILE 40 3HG2 ILE 40 -3.123 3.039 -5.179 326 2HG2 ILE 40 1HG2 ILE 40 -1.737 3.912 -4.501 327 3HG2 ILE 40 2HG2 ILE 40 -2.145 4.141 -6.173 328 1HD1 ILE 40 3HD1 ILE 40 0.317 2.582 -8.092 329 2HD1 ILE 40 2HD1 ILE 40 -0.399 4.120 -7.796 330 3HD1 ILE 40 1HD1 ILE 40 1.332 3.900 -7.559 331 H ARG 41 H ARG 41 -0.339 0.081 -2.426 332 HA ARG 41 HA ARG 41 -2.686 0.942 -0.967 333 1HB ARG 41 2HB ARG 41 -1.910 -0.602 0.708 334 2HB ARG 41 1HB ARG 41 -1.848 -1.350 -0.845 335 1HG ARG 41 2HG ARG 41 0.141 -2.085 0.033 336 2HG ARG 41 1HG ARG 41 0.715 -0.654 -0.778 337 1HD ARG 41 2HD ARG 41 1.695 -0.753 1.461 338 2HD ARG 41 1HD ARG 41 0.511 0.576 1.480 339 HE ARG 41 HE ARG 41 -0.718 -1.828 2.357 340 1HH1 ARG 41 1HH2 ARG 41 1.725 0.522 3.330 341 2HH1 ARG 41 2HH2 ARG 41 1.467 0.287 5.029 342 1HH2 ARG 41 2HH1 ARG 41 -0.998 -2.145 4.576 343 2HH2 ARG 41 1HH1 ARG 41 -0.098 -1.220 5.742 344 H GLU 42 H GLU 42 -2.702 2.427 0.747 345 HA GLU 42 HA GLU 42 -0.584 4.363 0.575 346 1HB GLU 42 2HB GLU 42 -1.723 5.850 1.849 347 2HB GLU 42 1HB GLU 42 -3.039 4.884 1.215 348 1HG GLU 42 2HG GLU 42 -3.328 3.767 3.197 349 2HG GLU 42 1HG GLU 42 -1.865 4.364 3.976 350 H SER 43 H SER 43 0.720 5.173 2.359 351 HA SER 43 HA SER 43 1.900 2.868 3.793 352 1HB SER 43 2HB SER 43 3.246 4.568 2.242 353 2HB SER 43 1HB SER 43 2.749 5.792 3.154 354 HG SER 43 HG SER 43 4.440 4.261 4.997 355 H GLU 44 H GLU 44 -0.193 3.268 5.165 356 HA GLU 44 HA GLU 44 -1.376 4.994 6.564 357 1HB GLU 44 2HB GLU 44 -1.274 3.432 8.638 358 2HB GLU 44 1HB GLU 44 -1.852 2.851 7.123 359 1HG GLU 44 2HG GLU 44 0.447 1.802 6.653 360 2HG GLU 44 1HG GLU 44 0.969 2.348 8.222 361 H SER 45 H SER 45 1.875 4.240 7.477 362 HA SER 45 HA SER 45 2.315 5.851 9.844 363 1HB SER 45 2HB SER 45 4.697 4.971 9.153 364 2HB SER 45 1HB SER 45 3.534 3.777 9.441 365 HG SER 45 HG SER 45 3.464 4.250 6.515 366 H ASN 46 H ASN 46 1.549 7.018 6.971 367 HA ASN 46 HA ASN 46 3.921 8.734 6.418 368 1HB ASN 46 2HB ASN 46 2.904 8.775 4.130 369 2HB ASN 46 1HB ASN 46 3.166 7.213 4.700 370 1HD2 ASN 46 2HD2 ASN 46 -0.841 7.712 5.229 371 2HD2 ASN 46 1HD2 ASN 46 0.274 8.386 6.349 372 H LYS 47 H LYS 47 3.636 10.483 5.183 373 HA LYS 47 HA LYS 47 1.544 12.298 5.683 374 1HB LYS 47 2HB LYS 47 3.381 13.920 4.612 375 2HB LYS 47 1HB LYS 47 3.288 13.508 6.303 376 1HG LYS 47 2HG LYS 47 5.578 13.334 5.559 377 2HG LYS 47 1HG LYS 47 4.934 11.797 6.084 378 1HD LYS 47 2HD LYS 47 6.100 11.196 4.139 379 2HD LYS 47 1HD LYS 47 4.446 11.346 3.603 380 1HE LYS 47 1HE LYS 47 5.922 12.519 1.967 381 2HE LYS 47 2HE LYS 47 4.980 13.732 2.840 382 1HZ LYS 47 2HZ LYS 47 6.863 14.085 4.253 383 2HZ LYS 47 1HZ LYS 47 7.769 12.960 3.363 384 3HZ LYS 47 3HZ LYS 47 7.203 14.379 2.620 385 H GLY 48 H GLY 48 0.552 10.506 4.339 386 1HA GLY 48 2HA GLY 48 -0.869 10.260 2.620 387 2HA GLY 48 1HA GLY 48 -0.241 11.749 1.850 388 H ALA 49 H ALA 49 1.928 9.297 2.767 389 HA ALA 49 HA ALA 49 2.699 8.761 -0.013 390 1HB ALA 49 1HB ALA 49 4.408 9.004 1.801 391 2HB ALA 49 3HB ALA 49 3.854 7.512 2.546 392 3HB ALA 49 2HB ALA 49 4.606 7.475 0.961 393 H PHE 50 H PHE 50 3.428 6.346 -0.437 394 HA PHE 50 HA PHE 50 1.366 4.357 0.154 395 1HB PHE 50 2HB PHE 50 1.785 5.510 -2.718 396 2HB PHE 50 1HB PHE 50 1.011 3.999 -2.456 397 HD1 PHE 50 HD2 PHE 50 0.656 7.615 -1.525 398 HD2 PHE 50 HD1 PHE 50 -1.268 3.868 -2.149 399 HE1 PHE 50 HE2 PHE 50 -1.511 8.680 -1.164 400 HE2 PHE 50 HE1 PHE 50 -3.457 4.952 -1.879 401 HZ PHE 50 HZ PHE 50 -3.589 7.371 -1.394 402 H SER 51 H SER 51 1.829 2.555 -1.654 403 HA SER 51 HA SER 51 4.597 1.868 -2.101 404 1HB SER 51 2HB SER 51 2.842 -0.334 -0.839 405 2HB SER 51 1HB SER 51 4.512 -0.294 -0.958 406 HG SER 51 HG SER 51 3.735 1.766 1.041 407 H LEU 52 H LEU 52 4.415 -0.530 -3.357 408 HA LEU 52 HA LEU 52 1.801 -0.630 -4.720 409 1HB LEU 52 2HB LEU 52 3.151 1.333 -5.738 410 2HB LEU 52 1HB LEU 52 4.420 0.245 -6.161 411 HG LEU 52 HG LEU 52 3.075 -0.775 -7.896 412 1HD1 LEU 52 1HD1 LEU 52 0.831 0.438 -6.402 413 2HD1 LEU 52 3HD1 LEU 52 0.614 0.508 -8.102 414 3HD1 LEU 52 2HD1 LEU 52 0.899 -1.054 -7.338 415 1HD2 LEU 52 2HD2 LEU 52 2.867 2.280 -7.851 416 2HD2 LEU 52 1HD2 LEU 52 4.124 1.313 -8.603 417 3HD2 LEU 52 3HD2 LEU 52 2.497 1.343 -9.281 418 H SER 53 H SER 53 1.303 -2.518 -4.960 419 HA SER 53 HA SER 53 3.293 -4.639 -5.257 420 1HB SER 53 1HB SER 53 0.380 -5.329 -4.883 421 2HB SER 53 2HB SER 53 1.738 -6.098 -4.306 422 HG SER 53 HG SER 53 1.410 -3.518 -2.797 423 H VAL 54 H VAL 54 3.554 -5.802 -6.935 424 HA VAL 54 HA VAL 54 1.679 -5.625 -9.238 425 HB VAL 54 HB VAL 54 4.742 -5.368 -9.516 426 1HG1 VAL 54 2HG1 VAL 54 2.617 -5.480 -11.578 427 2HG1 VAL 54 1HG1 VAL 54 4.260 -4.802 -11.843 428 3HG1 VAL 54 3HG1 VAL 54 4.035 -6.456 -11.377 429 1HG2 VAL 54 1HG2 VAL 54 2.724 -3.154 -9.394 430 2HG2 VAL 54 3HG2 VAL 54 4.111 -3.401 -8.378 431 3HG2 VAL 54 2HG2 VAL 54 4.392 -3.020 -10.041 432 H LYS 55 H LYS 55 1.684 -7.658 -10.486 433 HA LYS 55 HA LYS 55 2.840 -9.822 -8.902 434 1HB LYS 55 2HB LYS 55 0.712 -10.030 -10.100 435 2HB LYS 55 1HB LYS 55 1.547 -9.863 -11.626 436 1HG LYS 55 2HG LYS 55 2.214 -12.045 -11.655 437 2HG LYS 55 1HG LYS 55 2.802 -11.972 -10.047 438 1HD LYS 55 2HD LYS 55 1.156 -13.506 -9.769 439 2HD LYS 55 1HD LYS 55 0.334 -12.090 -9.280 440 1HE LYS 55 1HE LYS 55 -0.869 -11.960 -11.464 441 2HE LYS 55 2HE LYS 55 0.183 -13.223 -12.125 442 1HZ LYS 55 1HZ LYS 55 -0.651 -14.697 -10.418 443 2HZ LYS 55 3HZ LYS 55 -1.818 -13.529 -10.004 444 3HZ LYS 55 2HZ LYS 55 -1.816 -14.212 -11.557 445 H ASP 56 H ASP 56 5.276 -10.036 -8.954 446 HA ASP 56 HA ASP 56 6.363 -9.697 -11.682 447 1HB ASP 56 2HB ASP 56 7.742 -8.705 -10.122 448 2HB ASP 56 1HB ASP 56 7.778 -10.055 -9.034 449 H ILE 57 H ILE 57 6.791 -11.241 -13.039 450 HA ILE 57 HA ILE 57 6.218 -14.038 -12.178 451 HB ILE 57 HB ILE 57 5.522 -12.743 -14.822 452 1HG1 ILE 57 1HG1 ILE 57 3.874 -13.491 -12.377 453 2HG1 ILE 57 2HG1 ILE 57 4.003 -11.930 -13.141 454 1HG2 ILE 57 1HG2 ILE 57 6.108 -15.158 -15.099 455 2HG2 ILE 57 3HG2 ILE 57 4.973 -15.584 -13.819 456 3HG2 ILE 57 2HG2 ILE 57 4.401 -14.916 -15.349 457 1HD1 ILE 57 2HD1 ILE 57 2.844 -12.941 -15.198 458 2HD1 ILE 57 1HD1 ILE 57 2.529 -14.361 -14.184 459 3HD1 ILE 57 3HD1 ILE 57 1.855 -12.797 -13.746 460 H THR 58 H THR 58 7.532 -15.574 -12.743 461 HA THR 58 HA THR 58 9.596 -15.274 -14.748 462 HB THR 58 HB THR 58 10.629 -14.086 -12.901 463 HG1 THR 58 HG1 THR 58 12.050 -16.701 -13.113 464 1HG2 THR 58 3HG2 THR 58 9.760 -16.299 -10.965 465 2HG2 THR 58 2HG2 THR 58 10.940 -15.043 -10.561 466 3HG2 THR 58 1HG2 THR 58 9.332 -14.619 -11.036 467 H THR 59 H THR 59 11.068 -17.298 -14.737 468 HA THR 59 HA THR 59 9.241 -19.532 -14.568 469 HB THR 59 HB THR 59 10.639 -19.603 -16.393 470 HG1 THR 59 HG1 THR 59 11.410 -21.926 -14.671 471 1HG2 THR 59 1HG2 THR 59 13.182 -19.300 -14.679 472 2HG2 THR 59 3HG2 THR 59 13.155 -19.769 -16.367 473 3HG2 THR 59 2HG2 THR 59 12.483 -18.257 -15.921 474 H GLN 60 H GLN 60 11.006 -18.042 -12.173 475 HA GLN 60 HA GLN 60 11.796 -20.488 -10.761 476 1HB GLN 60 2HB GLN 60 11.794 -17.563 -9.973 477 2HB GLN 60 1HB GLN 60 12.065 -18.793 -8.796 478 1HG GLN 60 2HG GLN 60 14.048 -19.640 -9.884 479 2HG GLN 60 1HG GLN 60 13.822 -18.682 -11.307 480 1HE2 GLN 60 2HE2 GLN 60 15.115 -16.980 -7.760 481 2HE2 GLN 60 1HE2 GLN 60 14.174 -18.430 -7.782 482 H GLY 61 H GLY 61 9.204 -18.098 -10.666 483 1HA GLY 61 2HA GLY 61 7.117 -19.680 -9.972 484 2HA GLY 61 1HA GLY 61 7.864 -19.243 -8.374 485 H GLU 62 H GLU 62 5.151 -18.493 -9.185 486 HA GLU 62 HA GLU 62 5.230 -15.811 -10.073 487 1HB GLU 62 2HB GLU 62 3.359 -17.667 -10.225 488 2HB GLU 62 1HB GLU 62 2.924 -17.185 -8.588 489 1HG GLU 62 2HG GLU 62 2.725 -14.836 -9.340 490 2HG GLU 62 1HG GLU 62 3.166 -15.321 -10.968 491 H VAL 63 H VAL 63 5.255 -13.900 -8.904 492 HA VAL 63 HA VAL 63 4.953 -14.030 -5.985 493 HB VAL 63 HB VAL 63 6.982 -12.747 -5.656 494 1HG1 VAL 63 2HG1 VAL 63 7.264 -15.207 -5.731 495 2HG1 VAL 63 1HG1 VAL 63 7.754 -15.097 -7.421 496 3HG1 VAL 63 3HG1 VAL 63 8.730 -14.335 -6.174 497 1HG2 VAL 63 1HG2 VAL 63 6.886 -11.483 -7.924 498 2HG2 VAL 63 3HG2 VAL 63 8.476 -11.942 -7.366 499 3HG2 VAL 63 2HG2 VAL 63 7.694 -12.873 -8.630 500 H VAL 64 H VAL 64 5.569 -11.500 -5.509 501 HA VAL 64 HA VAL 64 4.056 -9.746 -7.294 502 HB VAL 64 HB VAL 64 3.402 -10.347 -4.435 503 1HG1 VAL 64 1HG1 VAL 64 2.735 -7.728 -5.822 504 2HG1 VAL 64 3HG1 VAL 64 1.887 -8.350 -4.426 505 3HG1 VAL 64 2HG1 VAL 64 3.582 -7.880 -4.247 506 1HG2 VAL 64 2HG2 VAL 64 2.094 -11.282 -6.401 507 2HG2 VAL 64 1HG2 VAL 64 1.121 -10.239 -5.334 508 3HG2 VAL 64 3HG2 VAL 64 1.728 -9.619 -6.851 509 H LYS 65 H LYS 65 4.599 -7.472 -6.054 510 HA LYS 65 HA LYS 65 7.494 -7.203 -5.421 511 1HB LYS 65 2HB LYS 65 5.908 -5.845 -7.683 512 2HB LYS 65 1HB LYS 65 7.362 -5.099 -7.099 513 1HG LYS 65 2HG LYS 65 7.284 -7.949 -8.159 514 2HG LYS 65 1HG LYS 65 7.616 -6.595 -9.149 515 1HD LYS 65 2HD LYS 65 9.490 -6.005 -7.340 516 2HD LYS 65 1HD LYS 65 9.280 -7.631 -6.821 517 1HE LYS 65 1HE LYS 65 9.704 -7.358 -9.781 518 2HE LYS 65 2HE LYS 65 11.055 -6.869 -8.764 519 1HZ LYS 65 1HZ LYS 65 10.981 -8.974 -7.676 520 2HZ LYS 65 3HZ LYS 65 9.663 -9.448 -8.635 521 3HZ LYS 65 2HZ LYS 65 11.162 -9.155 -9.359 522 H HIS 66 H HIS 66 7.960 -4.833 -4.632 523 HA HIS 66 HA HIS 66 5.618 -3.399 -3.608 524 1HB HIS 66 2HB HIS 66 7.859 -4.649 -1.878 525 2HB HIS 66 1HB HIS 66 6.862 -3.336 -1.296 526 HD1 HIS 66 HD1 HIS 66 4.256 -4.569 -2.732 527 HD2 HIS 66 HD2 HIS 66 6.817 -6.491 -0.061 528 HE1 HIS 66 HE1 HIS 66 2.887 -6.422 -1.593 529 H TYR 67 H TYR 67 6.051 -1.473 -4.590 530 HA TYR 67 HA TYR 67 8.837 -0.434 -4.496 531 1HB TYR 67 2HB TYR 67 6.446 0.741 -6.001 532 2HB TYR 67 1HB TYR 67 8.078 1.328 -6.018 533 HD1 TYR 67 HD1 TYR 67 9.913 0.088 -7.014 534 HD2 TYR 67 HD2 TYR 67 5.891 -1.336 -7.237 535 HE1 TYR 67 HE1 TYR 67 10.573 -1.350 -8.804 536 HE2 TYR 67 HE2 TYR 67 6.464 -2.811 -9.024 537 HH TYR 67 HH TYR 67 9.229 -3.966 -9.866 538 H LYS 68 H LYS 68 8.923 2.012 -4.165 539 HA LYS 68 HA LYS 68 7.469 2.704 -1.668 540 1HB LYS 68 2HB LYS 68 9.327 3.177 -0.512 541 2HB LYS 68 1HB LYS 68 9.776 1.757 -1.399 542 1HG LYS 68 2HG LYS 68 10.554 4.605 -1.839 543 2HG LYS 68 1HG LYS 68 11.621 3.291 -1.437 544 1HD LYS 68 2HD LYS 68 10.167 3.555 -4.124 545 2HD LYS 68 1HD LYS 68 11.763 4.166 -3.841 546 1HE LYS 68 1HE LYS 68 12.631 1.894 -3.468 547 2HE LYS 68 2HE LYS 68 11.007 1.208 -3.595 548 1HZ LYS 68 1HZ LYS 68 12.303 2.766 -5.727 549 2HZ LYS 68 3HZ LYS 68 12.340 1.068 -5.622 550 3HZ LYS 68 2HZ LYS 68 10.868 1.885 -5.828 551 H ILE 69 H ILE 69 5.969 3.857 -2.680 552 HA ILE 69 HA ILE 69 6.740 6.252 -4.160 553 HB ILE 69 HB ILE 69 4.124 6.449 -4.093 554 1HG1 ILE 69 1HG1 ILE 69 4.698 3.503 -4.220 555 2HG1 ILE 69 2HG1 ILE 69 3.721 4.400 -3.088 556 1HG2 ILE 69 1HG2 ILE 69 5.669 6.867 -6.004 557 2HG2 ILE 69 3HG2 ILE 69 5.339 5.180 -6.479 558 3HG2 ILE 69 2HG2 ILE 69 4.027 6.334 -6.273 559 1HD1 ILE 69 2HD1 ILE 69 2.229 5.048 -4.948 560 2HD1 ILE 69 1HD1 ILE 69 3.263 4.129 -6.066 561 3HD1 ILE 69 3HD1 ILE 69 2.412 3.294 -4.754 562 H ARG 70 H ARG 70 7.124 8.007 -3.199 563 HA ARG 70 HA ARG 70 5.949 8.630 -0.526 564 1HB ARG 70 2HB ARG 70 8.083 9.931 -2.270 565 2HB ARG 70 1HB ARG 70 7.509 10.608 -0.762 566 1HG ARG 70 2HG ARG 70 8.089 7.996 -0.014 567 2HG ARG 70 1HG ARG 70 9.355 8.329 -1.189 568 1HD ARG 70 2HD ARG 70 9.819 10.504 0.027 569 2HD ARG 70 1HD ARG 70 8.644 10.014 1.249 570 HE ARG 70 HE ARG 70 11.344 8.980 0.859 571 1HH1 ARG 70 1HH2 ARG 70 8.161 8.345 2.244 572 2HH1 ARG 70 2HH2 ARG 70 8.722 7.131 3.344 573 1HH2 ARG 70 2HH1 ARG 70 12.060 7.367 2.306 574 2HH2 ARG 70 1HH1 ARG 70 10.951 6.574 3.372 575 H SER 71 H SER 71 5.209 10.905 -0.333 576 HA SER 71 HA SER 71 4.087 11.968 -2.849 577 1HB SER 71 2HB SER 71 1.932 12.415 -1.928 578 2HB SER 71 1HB SER 71 2.243 10.772 -1.687 579 HG SER 71 HG SER 71 2.898 12.063 0.879 580 H LEU 72 H LEU 72 4.968 13.758 -3.198 581 HA LEU 72 HA LEU 72 6.231 15.299 -1.050 582 1HB LEU 72 2HB LEU 72 6.818 15.912 -3.929 583 2HB LEU 72 1HB LEU 72 7.837 15.980 -2.530 584 HG LEU 72 HG LEU 72 8.610 14.319 -3.798 585 1HD1 LEU 72 1HD1 LEU 72 7.356 13.477 -1.239 586 2HD1 LEU 72 3HD1 LEU 72 7.989 12.191 -2.244 587 3HD1 LEU 72 2HD1 LEU 72 9.009 13.545 -1.721 588 1HD2 LEU 72 2HD2 LEU 72 6.175 14.005 -4.927 589 2HD2 LEU 72 1HD2 LEU 72 7.477 12.836 -5.152 590 3HD2 LEU 72 3HD2 LEU 72 6.231 12.514 -3.965 591 H ASP 73 H ASP 73 6.465 17.354 -1.362 592 HA ASP 73 HA ASP 73 4.357 19.001 -0.903 593 1HB ASP 73 2HB ASP 73 5.979 20.922 -1.273 594 2HB ASP 73 1HB ASP 73 6.632 19.622 -0.309 595 H ASN 74 H ASN 74 5.787 18.497 -4.083 596 HA ASN 74 HA ASN 74 4.249 20.528 -5.354 597 1HB ASN 74 2HB ASN 74 4.989 19.579 -7.519 598 2HB ASN 74 1HB ASN 74 6.325 19.630 -6.393 599 1HD2 ASN 74 2HD2 ASN 74 5.780 16.285 -8.261 600 2HD2 ASN 74 1HD2 ASN 74 5.520 17.900 -8.818 601 H GLY 75 H GLY 75 3.701 17.358 -4.650 602 1HA GLY 75 2HA GLY 75 1.467 16.564 -4.044 603 2HA GLY 75 1HA GLY 75 0.820 17.416 -5.512 604 H GLY 76 H GLY 76 3.904 15.920 -5.696 605 1HA GLY 76 2HA GLY 76 2.961 14.002 -7.639 606 2HA GLY 76 1HA GLY 76 4.627 14.614 -7.296 607 H TYR 77 H TYR 77 4.815 12.371 -7.689 608 HA TYR 77 HA TYR 77 5.195 10.949 -5.158 609 1HB TYR 77 2HB TYR 77 3.681 9.622 -7.509 610 2HB TYR 77 1HB TYR 77 4.275 8.752 -6.125 611 HD1 TYR 77 HD2 TYR 77 1.928 11.362 -7.179 612 HD2 TYR 77 HD1 TYR 77 3.046 8.670 -4.112 613 HE1 TYR 77 HE2 TYR 77 -0.225 11.756 -6.184 614 HE2 TYR 77 HE1 TYR 77 0.991 9.075 -2.944 615 HH TYR 77 HH TYR 77 -1.753 9.882 -4.184 616 H TYR 78 H TYR 78 6.940 9.911 -5.068 617 HA TYR 78 HA TYR 78 8.369 9.308 -7.631 618 1HB TYR 78 2HB TYR 78 10.391 10.259 -6.992 619 2HB TYR 78 1HB TYR 78 9.277 11.419 -6.378 620 HD1 TYR 78 HD2 TYR 78 11.510 8.635 -5.460 621 HD2 TYR 78 HD1 TYR 78 9.288 11.973 -3.975 622 HE1 TYR 78 HE2 TYR 78 12.522 8.283 -3.361 623 HE2 TYR 78 HE1 TYR 78 10.312 11.731 -1.852 624 HH TYR 78 HH TYR 78 12.966 10.299 -1.048 625 H ILE 79 H ILE 79 9.371 7.530 -7.831 626 HA ILE 79 HA ILE 79 9.571 5.588 -5.622 627 HB ILE 79 HB ILE 79 9.456 3.850 -7.658 628 1HG1 ILE 79 1HG1 ILE 79 7.612 6.153 -8.396 629 2HG1 ILE 79 2HG1 ILE 79 8.820 5.392 -9.395 630 1HG2 ILE 79 1HG2 ILE 79 7.253 4.742 -5.830 631 2HG2 ILE 79 3HG2 ILE 79 7.265 3.226 -6.758 632 3HG2 ILE 79 2HG2 ILE 79 8.475 3.532 -5.544 633 1HD1 ILE 79 1HD1 ILE 79 6.249 4.014 -8.365 634 2HD1 ILE 79 3HD1 ILE 79 6.365 4.808 -9.879 635 3HD1 ILE 79 2HD1 ILE 79 7.368 3.380 -9.566 636 H SER 80 H SER 80 11.176 7.433 -7.645 637 HA SER 80 HA SER 80 13.722 6.800 -6.546 638 1HB SER 80 2HB SER 80 14.388 5.574 -8.452 639 2HB SER 80 1HB SER 80 13.077 6.058 -9.364 640 HG SER 80 HG SER 80 14.955 8.368 -9.296 641 HA PRO 81 HA PRO 81 12.717 11.042 -6.546 642 1HB PRO 81 2HB PRO 81 15.519 11.896 -6.258 643 2HB PRO 81 1HB PRO 81 14.096 12.094 -5.186 644 1HG PRO 81 2HG PRO 81 16.102 10.306 -4.608 645 2HG PRO 81 1HG PRO 81 14.407 10.050 -4.162 646 1HD PRO 81 1HD PRO 81 15.943 8.867 -6.388 647 2HD PRO 81 2HD PRO 81 14.724 8.102 -5.341 648 H ARG 82 H ARG 82 15.012 10.016 -8.880 649 HA ARG 82 HA ARG 82 14.772 12.506 -10.426 650 1HB ARG 82 2HB ARG 82 16.177 11.845 -11.989 651 2HB ARG 82 1HB ARG 82 16.712 10.840 -10.716 652 1HG ARG 82 2HG ARG 82 16.471 8.996 -12.109 653 2HG ARG 82 1HG ARG 82 14.754 9.285 -12.274 654 1HD ARG 82 2HD ARG 82 15.521 9.394 -14.441 655 2HD ARG 82 1HD ARG 82 15.362 11.103 -13.975 656 HE ARG 82 HE ARG 82 17.890 10.735 -13.306 657 1HH1 ARG 82 1HH2 ARG 82 16.226 9.537 -16.173 658 2HH1 ARG 82 2HH2 ARG 82 17.655 9.479 -17.148 659 1HH2 ARG 82 2HH1 ARG 82 19.756 10.660 -14.607 660 2HH2 ARG 82 1HH1 ARG 82 19.664 10.132 -16.251 661 H ILE 83 H ILE 83 13.114 9.419 -10.527 662 HA ILE 83 HA ILE 83 11.290 10.361 -12.657 663 HB ILE 83 HB ILE 83 10.314 8.093 -12.489 664 1HG1 ILE 83 1HG1 ILE 83 12.889 7.019 -11.441 665 2HG1 ILE 83 2HG1 ILE 83 11.859 7.804 -10.243 666 1HG2 ILE 83 1HG2 ILE 83 11.663 8.754 -14.384 667 2HG2 ILE 83 3HG2 ILE 83 13.147 8.283 -13.535 668 3HG2 ILE 83 2HG2 ILE 83 11.931 7.072 -13.963 669 1HD1 ILE 83 3HD1 ILE 83 9.969 6.581 -10.931 670 2HD1 ILE 83 2HD1 ILE 83 10.958 5.671 -12.132 671 3HD1 ILE 83 1HD1 ILE 83 11.205 5.437 -10.386 672 H THR 84 H THR 84 10.396 11.867 -11.654 673 HA THR 84 HA THR 84 8.407 11.212 -9.521 674 HB THR 84 HB THR 84 8.982 14.099 -10.235 675 HG1 THR 84 HG1 THR 84 11.303 12.641 -9.068 676 1HG2 THR 84 1HG2 THR 84 8.344 12.673 -7.647 677 2HG2 THR 84 3HG2 THR 84 8.768 14.381 -7.735 678 3HG2 THR 84 2HG2 THR 84 7.379 13.762 -8.601 679 H PHE 85 H PHE 85 6.531 12.170 -9.640 680 HA PHE 85 HA PHE 85 5.449 13.011 -12.308 681 1HB PHE 85 2HB PHE 85 4.293 10.734 -10.561 682 2HB PHE 85 1HB PHE 85 3.571 11.286 -12.049 683 HD1 PHE 85 HD2 PHE 85 6.416 9.484 -10.565 684 HD2 PHE 85 HD1 PHE 85 4.570 10.736 -14.218 685 HE1 PHE 85 HE2 PHE 85 7.987 8.105 -11.809 686 HE2 PHE 85 HE1 PHE 85 6.125 9.288 -15.480 687 HZ PHE 85 HZ PHE 85 7.865 7.998 -14.284 688 HA PRO 86 HA PRO 86 3.149 15.814 -9.612 689 1HB PRO 86 2HB PRO 86 1.001 16.501 -11.266 690 2HB PRO 86 1HB PRO 86 2.662 17.002 -11.611 691 1HG PRO 86 2HG PRO 86 1.142 14.693 -12.807 692 2HG PRO 86 1HG PRO 86 2.155 15.869 -13.654 693 1HD PRO 86 1HD PRO 86 3.097 13.379 -12.991 694 2HD PRO 86 2HD PRO 86 4.153 14.798 -13.007 695 H THR 87 H THR 87 2.036 12.781 -10.317 696 HA THR 87 HA THR 87 0.474 12.564 -8.046 697 HB THR 87 HB THR 87 -1.351 13.643 -9.094 698 HG1 THR 87 HG1 THR 87 -2.051 10.754 -8.999 699 1HG2 THR 87 2HG2 THR 87 -0.837 12.097 -11.637 700 2HG2 THR 87 1HG2 THR 87 -2.285 13.087 -11.315 701 3HG2 THR 87 3HG2 THR 87 -0.690 13.801 -11.275 702 H LEU 88 H LEU 88 -0.588 10.245 -8.097 703 HA LEU 88 HA LEU 88 1.358 8.489 -9.232 704 1HB LEU 88 2HB LEU 88 -1.457 7.710 -8.347 705 2HB LEU 88 1HB LEU 88 -0.211 6.593 -8.740 706 HG LEU 88 HG LEU 88 0.010 8.606 -6.530 707 1HD1 LEU 88 3HD1 LEU 88 -1.956 7.042 -6.248 708 2HD1 LEU 88 2HD1 LEU 88 -0.822 5.719 -6.535 709 3HD1 LEU 88 1HD1 LEU 88 -0.685 6.672 -5.053 710 1HD2 LEU 88 3HD2 LEU 88 1.445 5.972 -7.038 711 2HD2 LEU 88 2HD2 LEU 88 2.190 7.588 -7.144 712 3HD2 LEU 88 1HD2 LEU 88 1.629 6.952 -5.598 713 H GLN 89 H GLN 89 -1.661 9.945 -10.607 714 HA GLN 89 HA GLN 89 -2.037 7.594 -12.299 715 1HB GLN 89 2HB GLN 89 -3.573 8.597 -13.729 716 2HB GLN 89 1HB GLN 89 -3.963 8.628 -12.048 717 1HG GLN 89 2HG GLN 89 -4.701 10.635 -13.021 718 2HG GLN 89 1HG GLN 89 -3.445 10.866 -11.845 719 1HE2 GLN 89 2HE2 GLN 89 -1.986 11.142 -15.714 720 2HE2 GLN 89 1HE2 GLN 89 -2.636 9.693 -15.050 721 H ALA 90 H ALA 90 -0.192 10.484 -12.738 722 HA ALA 90 HA ALA 90 0.459 9.895 -15.471 723 1HB ALA 90 3HB ALA 90 1.966 11.596 -13.417 724 2HB ALA 90 2HB ALA 90 2.371 11.594 -15.137 725 3HB ALA 90 1HB ALA 90 0.813 12.187 -14.591 726 H LEU 91 H LEU 91 1.428 8.477 -12.616 727 HA LEU 91 HA LEU 91 3.915 7.279 -13.561 728 1HB LEU 91 2HB LEU 91 4.155 7.960 -11.413 729 2HB LEU 91 1HB LEU 91 2.512 7.904 -11.005 730 HG LEU 91 HG LEU 91 4.337 5.459 -11.084 731 1HD1 LEU 91 2HD1 LEU 91 3.414 7.219 -8.761 732 2HD1 LEU 91 1HD1 LEU 91 4.327 5.740 -8.577 733 3HD1 LEU 91 3HD1 LEU 91 5.078 7.139 -9.357 734 1HD2 LEU 91 2HD2 LEU 91 1.513 5.956 -9.983 735 2HD2 LEU 91 1HD2 LEU 91 1.984 4.726 -11.165 736 3HD2 LEU 91 3HD2 LEU 91 2.477 4.562 -9.506 737 H VAL 92 H VAL 92 0.490 6.507 -12.875 738 HA VAL 92 HA VAL 92 0.775 3.712 -13.455 739 HB VAL 92 HB VAL 92 -1.883 5.170 -13.336 740 1HG1 VAL 92 3HG1 VAL 92 -1.669 2.642 -13.537 741 2HG1 VAL 92 2HG1 VAL 92 -0.967 2.695 -11.863 742 3HG1 VAL 92 1HG1 VAL 92 -2.588 3.251 -12.158 743 1HG2 VAL 92 3HG2 VAL 92 0.024 5.231 -11.095 744 2HG2 VAL 92 2HG2 VAL 92 -1.537 6.018 -11.221 745 3HG2 VAL 92 1HG2 VAL 92 -1.376 4.407 -10.641 746 H GLN 93 H GLN 93 0.427 6.563 -15.271 747 HA GLN 93 HA GLN 93 -0.996 5.494 -17.572 748 1HB GLN 93 2HB GLN 93 -1.152 7.629 -18.402 749 2HB GLN 93 1HB GLN 93 -1.046 8.009 -16.713 750 1HG GLN 93 2HG GLN 93 1.428 8.466 -17.024 751 2HG GLN 93 1HG GLN 93 1.231 8.197 -18.740 752 1HE2 GLN 93 2HE2 GLN 93 1.200 11.709 -18.560 753 2HE2 GLN 93 1HE2 GLN 93 2.246 10.334 -18.572 754 H HIS 94 H HIS 94 2.114 6.627 -16.508 755 HA HIS 94 HA HIS 94 3.695 6.268 -18.777 756 1HB HIS 94 2HB HIS 94 4.432 7.615 -16.863 757 2HB HIS 94 1HB HIS 94 4.234 6.283 -15.749 758 HD1 HIS 94 HD1 HIS 94 6.652 6.218 -14.979 759 HD2 HIS 94 HD2 HIS 94 6.248 5.889 -19.147 760 HE1 HIS 94 HE1 HIS 94 8.930 5.591 -15.902 761 H TYR 95 H TYR 95 2.910 4.176 -16.026 762 HA TYR 95 HA TYR 95 4.349 1.963 -17.238 763 1HB TYR 95 2HB TYR 95 2.621 1.915 -14.761 764 2HB TYR 95 1HB TYR 95 3.646 0.604 -15.342 765 HD1 TYR 95 HD1 TYR 95 6.132 2.026 -16.184 766 HD2 TYR 95 HD2 TYR 95 3.622 2.589 -12.769 767 HE1 TYR 95 HE1 TYR 95 7.969 2.983 -15.105 768 HE2 TYR 95 HE2 TYR 95 5.427 3.513 -11.553 769 HH TYR 95 HH TYR 95 7.915 4.929 -12.688 770 H SER 96 H SER 96 1.142 3.175 -17.617 771 HA SER 96 HA SER 96 0.194 0.562 -18.564 772 1HB SER 96 2HB SER 96 -0.756 3.348 -19.531 773 2HB SER 96 1HB SER 96 -1.571 1.893 -19.782 774 HG SER 96 HG SER 96 -1.589 2.464 -16.841 775 H LYS 97 H LYS 97 2.473 2.726 -19.911 776 HA LYS 97 HA LYS 97 2.204 1.328 -22.511 777 1HB LYS 97 2HB LYS 97 3.192 4.096 -21.650 778 2HB LYS 97 1HB LYS 97 3.819 3.420 -23.115 779 1HG LYS 97 2HG LYS 97 2.035 4.777 -23.761 780 2HG LYS 97 1HG LYS 97 1.494 3.136 -24.001 781 1HD LYS 97 2HD LYS 97 0.098 3.254 -21.986 782 2HD LYS 97 1HD LYS 97 0.765 4.819 -21.555 783 1HE LYS 97 1HE LYS 97 -0.170 5.787 -23.687 784 2HE LYS 97 2HE LYS 97 -0.883 4.233 -24.068 785 1HZ LYS 97 2HZ LYS 97 -2.219 4.403 -22.091 786 2HZ LYS 97 1HZ LYS 97 -1.520 5.910 -21.736 787 3HZ LYS 97 3HZ LYS 97 -2.449 5.717 -23.139 788 H LYS 98 H LYS 98 4.809 2.566 -20.306 789 HA LYS 98 HA LYS 98 6.729 0.622 -21.516 790 1HB LYS 98 2HB LYS 98 6.884 3.068 -21.950 791 2HB LYS 98 1HB LYS 98 7.227 3.355 -20.265 792 1HG LYS 98 2HG LYS 98 9.269 1.991 -20.368 793 2HG LYS 98 1HG LYS 98 8.763 1.288 -21.867 794 1HD LYS 98 2HD LYS 98 8.726 3.825 -22.693 795 2HD LYS 98 1HD LYS 98 9.914 4.030 -21.422 796 1HE LYS 98 1HE LYS 98 10.055 1.787 -23.475 797 2HE LYS 98 2HE LYS 98 10.799 3.362 -23.794 798 1HZ LYS 98 1HZ LYS 98 12.073 3.082 -21.747 799 2HZ LYS 98 3HZ LYS 98 11.476 1.515 -21.602 800 3HZ LYS 98 2HZ LYS 98 12.442 1.926 -22.940 801 H GLY 99 H GLY 99 8.135 -0.339 -20.028 802 1HA GLY 99 2HA GLY 99 7.469 -0.207 -17.101 803 2HA GLY 99 1HA GLY 99 8.109 -1.666 -18.003 804 H ASP 100 H ASP 100 8.742 1.696 -17.869 805 HA ASP 100 HA ASP 100 11.501 1.605 -18.435 806 1HB ASP 100 2HB ASP 100 9.537 3.458 -18.817 807 2HB ASP 100 1HB ASP 100 10.095 4.071 -17.313 808 H GLY 101 H GLY 101 10.470 0.603 -15.743 809 1HA GLY 101 2HA GLY 101 12.904 1.222 -14.311 810 2HA GLY 101 1HA GLY 101 11.606 2.318 -13.714 811 H LEU 102 H LEU 102 9.671 0.023 -14.177 812 HA LEU 102 HA LEU 102 9.956 -1.023 -11.472 813 1HB LEU 102 2HB LEU 102 7.822 -1.510 -13.615 814 2HB LEU 102 1HB LEU 102 7.689 -2.034 -11.972 815 HG LEU 102 HG LEU 102 7.641 0.745 -13.097 816 1HD1 LEU 102 3HD1 LEU 102 5.817 -0.913 -11.325 817 2HD1 LEU 102 2HD1 LEU 102 5.531 0.782 -11.605 818 3HD1 LEU 102 1HD1 LEU 102 5.502 -0.334 -12.973 819 1HD2 LEU 102 3HD2 LEU 102 7.956 0.150 -10.120 820 2HD2 LEU 102 2HD2 LEU 102 9.146 0.992 -11.122 821 3HD2 LEU 102 1HD2 LEU 102 7.582 1.710 -10.818 822 H CYS 103 H CYS 103 8.729 -3.040 -13.949 823 HA CYS 103 HA CYS 103 10.922 -4.711 -14.475 824 1HB CYS 103 2HB CYS 103 10.066 -6.768 -13.060 825 2HB CYS 103 1HB CYS 103 10.979 -5.546 -12.236 826 HG CYS 103 HG CYS 103 7.519 -5.787 -12.157 827 H GLN 104 H GLN 104 7.481 -4.323 -14.014 828 HA GLN 104 HA GLN 104 6.869 -5.316 -16.620 829 1HB GLN 104 2HB GLN 104 5.463 -6.666 -14.211 830 2HB GLN 104 1HB GLN 104 5.058 -6.831 -15.885 831 1HG GLN 104 2HG GLN 104 6.230 -8.796 -15.620 832 2HG GLN 104 1HG GLN 104 7.553 -7.787 -16.149 833 1HE2 GLN 104 2HE2 GLN 104 8.897 -9.632 -13.369 834 2HE2 GLN 104 1HE2 GLN 104 8.481 -9.826 -15.029 835 H LYS 105 H LYS 105 6.022 -3.643 -17.200 836 HA LYS 105 HA LYS 105 4.818 -1.651 -15.709 837 1HB LYS 105 2HB LYS 105 4.625 -0.588 -17.793 838 2HB LYS 105 1HB LYS 105 5.697 -1.880 -18.192 839 1HG LYS 105 2HG LYS 105 3.607 -3.267 -18.966 840 2HG LYS 105 1HG LYS 105 2.722 -1.784 -18.795 841 1HD LYS 105 2HD LYS 105 3.207 -1.693 -21.000 842 2HD LYS 105 1HD LYS 105 4.488 -0.715 -20.303 843 1HE LYS 105 1HE LYS 105 6.080 -2.478 -20.475 844 2HE LYS 105 2HE LYS 105 4.798 -3.680 -20.850 845 1HZ LYS 105 2HZ LYS 105 5.529 -1.365 -22.537 846 2HZ LYS 105 1HZ LYS 105 6.078 -2.959 -22.790 847 3HZ LYS 105 3HZ LYS 105 4.428 -2.590 -22.917 848 H LEU 106 H LEU 106 2.598 -0.922 -16.311 849 HA LEU 106 HA LEU 106 0.713 -2.695 -15.101 850 1HB LEU 106 2HB LEU 106 0.406 -0.090 -16.640 851 2HB LEU 106 1HB LEU 106 -1.009 -0.802 -15.942 852 HG LEU 106 HG LEU 106 0.606 1.132 -14.803 853 1HD1 LEU 106 3HD1 LEU 106 -1.747 0.578 -14.096 854 2HD1 LEU 106 2HD1 LEU 106 -1.129 -0.824 -13.244 855 3HD1 LEU 106 1HD1 LEU 106 -0.622 0.781 -12.728 856 1HD2 LEU 106 1HD2 LEU 106 2.437 -0.611 -14.148 857 2HD2 LEU 106 3HD2 LEU 106 1.636 0.208 -12.841 858 3HD2 LEU 106 2HD2 LEU 106 1.133 -1.414 -13.330 859 H THR 107 H THR 107 -1.287 -3.417 -15.955 860 HA THR 107 HA THR 107 -1.516 -3.568 -18.897 861 HB THR 107 HB THR 107 -1.833 -5.887 -19.057 862 HG1 THR 107 HG1 THR 107 -2.106 -6.296 -16.157 863 1HG2 THR 107 3HG2 THR 107 0.421 -5.212 -19.315 864 2HG2 THR 107 2HG2 THR 107 0.805 -5.289 -17.649 865 3HG2 THR 107 1HG2 THR 107 0.438 -6.773 -18.510 866 H LEU 108 H LEU 108 -2.949 -5.120 -16.098 867 HA LEU 108 HA LEU 108 -5.447 -3.589 -16.625 868 1HB LEU 108 2HB LEU 108 -5.483 -6.551 -16.016 869 2HB LEU 108 1HB LEU 108 -6.838 -5.592 -16.434 870 HG LEU 108 HG LEU 108 -4.574 -6.001 -18.412 871 1HD1 LEU 108 2HD1 LEU 108 -5.275 -8.205 -17.723 872 2HD1 LEU 108 1HD1 LEU 108 -6.964 -7.814 -18.060 873 3HD1 LEU 108 3HD1 LEU 108 -5.787 -7.873 -19.376 874 1HD2 LEU 108 1HD2 LEU 108 -6.217 -4.152 -18.837 875 2HD2 LEU 108 3HD2 LEU 108 -6.304 -5.416 -20.062 876 3HD2 LEU 108 2HD2 LEU 108 -7.527 -5.323 -18.791 877 HA PRO 109 HA PRO 109 -4.482 -3.517 -12.184 878 1HB PRO 109 2HB PRO 109 -6.125 -1.477 -11.417 879 2HB PRO 109 1HB PRO 109 -4.683 -1.251 -12.401 880 1HG PRO 109 2HG PRO 109 -7.515 -1.364 -13.393 881 2HG PRO 109 1HG PRO 109 -6.250 -0.213 -13.849 882 1HD PRO 109 1HD PRO 109 -6.849 -2.536 -15.361 883 2HD PRO 109 2HD PRO 109 -5.263 -1.739 -15.379 884 H CYS 110 H CYS 110 -5.105 -5.388 -11.924 885 HA CYS 110 HA CYS 110 -6.249 -7.285 -11.593 886 1HB CYS 110 2HB CYS 110 -5.195 -6.266 -9.507 887 2HB CYS 110 1HB CYS 110 -6.786 -5.859 -8.958 888 HG CYS 110 HG CYS 110 -5.406 -8.999 -9.290 889 H VAL 111 H VAL 111 -8.356 -7.692 -9.603 890 HA VAL 111 HA VAL 111 -10.759 -6.510 -10.777 891 HB VAL 111 HB VAL 111 -11.864 -8.691 -11.077 892 1HG1 VAL 111 2HG1 VAL 111 -10.814 -7.622 -13.059 893 2HG1 VAL 111 1HG1 VAL 111 -9.356 -8.582 -12.801 894 3HG1 VAL 111 3HG1 VAL 111 -10.873 -9.375 -13.191 895 1HG2 VAL 111 3HG2 VAL 111 -9.136 -9.963 -10.530 896 2HG2 VAL 111 2HG2 VAL 111 -10.604 -10.155 -9.566 897 3HG2 VAL 111 1HG2 VAL 111 -10.537 -10.810 -11.185 898 H ASN 112 H ASN 112 -12.021 -5.933 -9.183 899 HA ASN 112 HA ASN 112 -11.252 -6.649 -6.489 900 1HB ASN 112 2HB ASN 112 -12.279 -4.387 -7.381 901 2HB ASN 112 1HB ASN 112 -13.839 -5.162 -7.203 902 1HD2 ASN 112 2HD2 ASN 112 -14.012 -4.094 -3.914 903 2HD2 ASN 112 1HD2 ASN 112 -14.744 -4.266 -5.465 904 H LEU 113 H LEU 113 -13.694 -7.586 -8.753 905 HA LEU 113 HA LEU 113 -15.245 -9.135 -8.859 906 1HB LEU 113 2HB LEU 113 -13.268 -10.595 -8.364 907 2HB LEU 113 1HB LEU 113 -13.634 -10.541 -6.665 908 HG LEU 113 HG LEU 113 -15.796 -11.697 -7.072 909 1HD1 LEU 113 3HD1 LEU 113 -14.918 -11.796 -9.997 910 2HD1 LEU 113 2HD1 LEU 113 -16.241 -12.735 -9.313 911 3HD1 LEU 113 1HD1 LEU 113 -16.349 -10.985 -9.357 912 1HD2 LEU 113 1HD2 LEU 113 -13.763 -13.021 -6.552 913 2HD2 LEU 113 3HD2 LEU 113 -14.829 -13.916 -7.631 914 3HD2 LEU 113 2HD2 LEU 113 -13.381 -13.138 -8.269 915 H ALA 114 HN ALA 114 -16.686 -7.639 -8.238 916 HA ALA 114 HA ALA 114 -18.593 -6.988 -7.276 917 1HB ALA 114 3HB ALA 114 -19.021 -9.427 -6.764 918 2HB ALA 114 2HB ALA 114 -18.289 -9.208 -5.176 919 3HB ALA 114 1HB ALA 114 -19.759 -8.345 -5.593 No H/Q in entry = 919 Start of MODEL 9 1 1H GLY 1 3H GLY 1 -23.809 0.429 -29.753 2 2H GLY 1 2H GLY 1 -25.156 1.436 -29.559 3 3H GLY 1 1H GLY 1 -23.620 2.116 -29.811 4 1HA GLY 1 2HA GLY 1 -22.839 1.261 -27.751 5 2HA GLY 1 1HA GLY 1 -24.300 2.295 -27.534 6 H SER 2 H SER 2 -24.388 1.225 -25.456 7 HA SER 2 HA SER 2 -26.318 -0.911 -25.497 8 1HB SER 2 2HB SER 2 -23.729 -1.528 -23.919 9 2HB SER 2 1HB SER 2 -24.995 -2.587 -24.252 10 HG SER 2 HG SER 2 -23.600 -2.002 -26.831 11 H VAL 3 H VAL 3 -27.114 -1.423 -23.403 12 HA VAL 3 HA VAL 3 -26.829 0.853 -21.497 13 HB VAL 3 HB VAL 3 -29.142 0.260 -20.788 14 1HG1 VAL 3 2HG1 VAL 3 -28.784 2.029 -22.477 15 2HG1 VAL 3 1HG1 VAL 3 -28.935 0.843 -23.771 16 3HG1 VAL 3 3HG1 VAL 3 -30.311 1.191 -22.729 17 1HG2 VAL 3 2HG2 VAL 3 -29.178 -2.169 -21.469 18 2HG2 VAL 3 1HG2 VAL 3 -30.536 -1.278 -22.134 19 3HG2 VAL 3 3HG2 VAL 3 -29.172 -1.686 -23.163 20 H ALA 4 H ALA 4 -24.966 -1.161 -21.506 21 HA ALA 4 HA ALA 4 -25.636 -3.130 -19.477 22 1HB ALA 4 3HB ALA 4 -24.105 -3.697 -21.353 23 2HB ALA 4 2HB ALA 4 -22.973 -2.446 -20.852 24 3HB ALA 4 1HB ALA 4 -23.243 -3.855 -19.826 25 HA PRO 5 HA PRO 5 -24.267 -0.573 -16.060 26 1HB PRO 5 2HB PRO 5 -23.787 -2.494 -14.124 27 2HB PRO 5 1HB PRO 5 -25.400 -2.123 -14.714 28 1HG PRO 5 2HG PRO 5 -23.641 -4.405 -15.577 29 2HG PRO 5 1HG PRO 5 -25.365 -4.461 -15.192 30 1HD PRO 5 1HD PRO 5 -24.452 -4.312 -17.786 31 2HD PRO 5 2HD PRO 5 -25.987 -3.572 -17.285 32 H VAL 6 H VAL 6 -22.438 0.465 -15.936 33 HA VAL 6 HA VAL 6 -19.902 -0.986 -15.567 34 HB VAL 6 HB VAL 6 -20.129 -0.654 -17.989 35 1HG1 VAL 6 3HG1 VAL 6 -21.628 1.306 -18.079 36 2HG1 VAL 6 2HG1 VAL 6 -20.340 2.344 -17.468 37 3HG1 VAL 6 1HG1 VAL 6 -20.188 1.580 -19.045 38 1HG2 VAL 6 2HG2 VAL 6 -17.841 -0.486 -16.953 39 2HG2 VAL 6 1HG2 VAL 6 -17.982 0.411 -18.460 40 3HG2 VAL 6 3HG2 VAL 6 -18.000 1.270 -16.928 41 H GLU 7 H GLU 7 -18.272 0.236 -14.697 42 HA GLU 7 HA GLU 7 -17.314 1.685 -13.340 43 1HB GLU 7 2HB GLU 7 -18.130 3.421 -14.954 44 2HB GLU 7 1HB GLU 7 -19.528 3.731 -13.982 45 1HG GLU 7 2HG GLU 7 -16.646 4.071 -12.983 46 2HG GLU 7 1HG GLU 7 -17.568 5.350 -13.726 47 H THR 8 H THR 8 -20.554 2.765 -12.632 48 HA THR 8 HA THR 8 -21.516 3.097 -10.595 49 HB THR 8 HB THR 8 -22.826 1.397 -11.561 50 HG1 THR 8 HG1 THR 8 -22.444 0.544 -8.716 51 1HG2 THR 8 1HG2 THR 8 -20.597 -0.652 -11.025 52 2HG2 THR 8 3HG2 THR 8 -22.238 -1.090 -11.529 53 3HG2 THR 8 2HG2 THR 8 -21.266 -0.051 -12.516 54 H LEU 9 H LEU 9 -19.675 3.841 -9.446 55 HA LEU 9 HA LEU 9 -18.550 4.021 -7.503 56 1HB LEU 9 2HB LEU 9 -20.696 2.921 -6.528 57 2HB LEU 9 1HB LEU 9 -19.846 1.411 -6.555 58 HG LEU 9 HG LEU 9 -18.032 2.521 -5.112 59 1HD1 LEU 9 3HD1 LEU 9 -20.224 4.618 -4.735 60 2HD1 LEU 9 2HD1 LEU 9 -18.766 4.483 -3.755 61 3HD1 LEU 9 1HD1 LEU 9 -18.643 4.902 -5.456 62 1HD2 LEU 9 2HD2 LEU 9 -19.665 0.883 -4.227 63 2HD2 LEU 9 1HD2 LEU 9 -19.343 2.133 -3.031 64 3HD2 LEU 9 3HD2 LEU 9 -20.841 2.167 -3.961 65 H GLU 10 H GLU 10 -17.121 3.425 -9.381 66 HA GLU 10 HA GLU 10 -15.735 0.884 -9.229 67 1HB GLU 10 2HB GLU 10 -16.285 2.264 -11.323 68 2HB GLU 10 1HB GLU 10 -14.998 3.337 -10.901 69 1HG GLU 10 2HG GLU 10 -13.459 1.179 -10.881 70 2HG GLU 10 1HG GLU 10 -14.816 0.368 -11.622 71 H VAL 11 H VAL 11 -13.395 3.027 -9.965 72 HA VAL 11 HA VAL 11 -11.450 3.605 -9.175 73 HB VAL 11 HB VAL 11 -11.271 5.021 -7.269 74 1HG1 VAL 11 3HG1 VAL 11 -12.275 5.947 -9.325 75 2HG1 VAL 11 2HG1 VAL 11 -13.889 5.581 -8.718 76 3HG1 VAL 11 1HG1 VAL 11 -12.879 6.757 -7.884 77 1HG2 VAL 11 1HG2 VAL 11 -12.758 3.713 -5.642 78 2HG2 VAL 11 3HG2 VAL 11 -12.993 5.455 -5.635 79 3HG2 VAL 11 2HG2 VAL 11 -14.156 4.434 -6.448 80 H GLU 12 H GLU 12 -12.669 0.862 -8.252 81 HA GLU 12 HA GLU 12 -11.043 0.190 -5.938 82 1HB GLU 12 2HB GLU 12 -12.729 -1.524 -7.839 83 2HB GLU 12 1HB GLU 12 -11.860 -2.148 -6.473 84 1HG GLU 12 2HG GLU 12 -13.223 -0.505 -5.007 85 2HG GLU 12 1HG GLU 12 -14.288 -0.332 -6.397 86 H LYS 13 H LYS 13 -9.915 -1.683 -5.952 87 HA LYS 13 HA LYS 13 -8.218 -2.948 -6.168 88 1HB LYS 13 2HB LYS 13 -8.777 -2.877 -9.101 89 2HB LYS 13 1HB LYS 13 -7.793 -4.076 -8.266 90 1HG LYS 13 2HG LYS 13 -10.709 -3.525 -7.688 91 2HG LYS 13 1HG LYS 13 -10.103 -4.787 -8.736 92 1HD LYS 13 2HD LYS 13 -9.070 -5.977 -6.884 93 2HD LYS 13 1HD LYS 13 -9.261 -4.655 -5.810 94 1HE LYS 13 1HE LYS 13 -11.545 -6.384 -6.867 95 2HE LYS 13 2HE LYS 13 -10.913 -6.325 -5.233 96 1HZ LYS 13 2HZ LYS 13 -12.270 -4.113 -6.624 97 2HZ LYS 13 1HZ LYS 13 -12.980 -5.159 -5.514 98 3HZ LYS 13 3HZ LYS 13 -11.742 -4.108 -5.019 99 H TRP 14 H TRP 14 -7.621 -0.655 -9.014 100 HA TRP 14 HA TRP 14 -4.933 -0.916 -8.234 101 1HB TRP 14 2HB TRP 14 -3.955 0.392 -9.488 102 2HB TRP 14 1HB TRP 14 -5.043 -0.416 -10.472 103 HD1 TRP 14 HD1 TRP 14 -6.802 1.340 -11.874 104 HE1 TRP 14 HE1 TRP 14 -6.379 3.767 -12.545 105 HE3 TRP 14 HE3 TRP 14 -3.218 2.480 -8.472 106 HZ2 TRP 14 HZ2 TRP 14 -4.461 5.986 -11.694 107 HZ3 TRP 14 HZ3 TRP 14 -2.237 4.722 -8.417 108 HH2 TRP 14 HH2 TRP 14 -2.929 6.446 -10.050 109 H PHE 15 H PHE 15 -7.363 1.493 -7.359 110 HA PHE 15 HA PHE 15 -5.301 2.878 -5.680 111 1HB PHE 15 2HB PHE 15 -6.583 3.937 -7.752 112 2HB PHE 15 1HB PHE 15 -7.904 4.145 -6.642 113 HD1 PHE 15 HD2 PHE 15 -4.190 4.613 -6.749 114 HD2 PHE 15 HD1 PHE 15 -7.958 6.262 -5.573 115 HE1 PHE 15 HE2 PHE 15 -3.081 6.747 -6.187 116 HE2 PHE 15 HE1 PHE 15 -6.837 8.375 -4.967 117 HZ PHE 15 HZ PHE 15 -4.391 8.618 -5.287 118 H PHE 16 H PHE 16 -5.497 1.434 -4.039 119 HA PHE 16 HA PHE 16 -7.982 1.468 -2.393 120 1HB PHE 16 2HB PHE 16 -5.416 -0.272 -2.462 121 2HB PHE 16 1HB PHE 16 -6.344 -0.237 -1.021 122 HD1 PHE 16 HD1 PHE 16 -8.968 -0.113 -3.362 123 HD2 PHE 16 HD2 PHE 16 -5.815 -2.689 -1.992 124 HE1 PHE 16 HE1 PHE 16 -10.269 -2.073 -4.021 125 HE2 PHE 16 HE2 PHE 16 -7.132 -4.639 -2.694 126 HZ PHE 16 HZ PHE 16 -9.375 -4.338 -3.670 127 H ARG 17 H ARG 17 -7.722 1.779 -0.072 128 HA ARG 17 HA ARG 17 -6.165 4.146 0.438 129 1HB ARG 17 2HB ARG 17 -7.714 2.244 2.303 130 2HB ARG 17 1HB ARG 17 -6.673 3.468 2.969 131 1HG ARG 17 2HG ARG 17 -7.913 5.173 1.593 132 2HG ARG 17 1HG ARG 17 -9.130 3.936 1.288 133 1HD ARG 17 2HD ARG 17 -8.390 5.313 3.916 134 2HD ARG 17 1HD ARG 17 -9.963 5.151 3.183 135 HE ARG 17 HE ARG 17 -10.127 2.922 3.952 136 1HH1 ARG 17 1HH2 ARG 17 -7.134 4.487 5.003 137 2HH1 ARG 17 2HH2 ARG 17 -6.831 3.342 6.262 138 1HH2 ARG 17 2HH1 ARG 17 -9.676 1.430 5.631 139 2HH2 ARG 17 1HH1 ARG 17 -8.262 1.621 6.611 140 H THR 18 H THR 18 -6.023 1.202 2.344 141 HA THR 18 HA THR 18 -3.261 0.695 1.842 142 HB THR 18 HB THR 18 -2.479 2.308 3.177 143 HG1 THR 18 HG1 THR 18 -2.818 0.198 5.223 144 1HG2 THR 18 2HG2 THR 18 -4.502 3.515 3.570 145 2HG2 THR 18 1HG2 THR 18 -5.011 2.501 4.895 146 3HG2 THR 18 3HG2 THR 18 -3.547 3.522 4.966 147 H ILE 19 H ILE 19 -4.238 -1.179 1.364 148 HA ILE 19 HA ILE 19 -5.436 -2.847 3.443 149 HB ILE 19 HB ILE 19 -5.774 -2.876 0.838 150 1HG1 ILE 19 1HG1 ILE 19 -5.439 -5.415 2.297 151 2HG1 ILE 19 2HG1 ILE 19 -6.886 -4.500 2.095 152 1HG2 ILE 19 2HG2 ILE 19 -3.301 -2.933 0.331 153 2HG2 ILE 19 1HG2 ILE 19 -3.402 -4.664 0.711 154 3HG2 ILE 19 3HG2 ILE 19 -4.351 -3.963 -0.611 155 1HD1 ILE 19 1HD1 ILE 19 -6.793 -4.826 -0.400 156 2HD1 ILE 19 3HD1 ILE 19 -5.363 -5.836 -0.223 157 3HD1 ILE 19 2HD1 ILE 19 -6.922 -6.364 0.434 158 H SER 20 H SER 20 -4.174 -5.072 3.835 159 HA SER 20 HA SER 20 -1.538 -4.143 4.725 160 1HB SER 20 2HB SER 20 -2.662 -5.875 6.077 161 2HB SER 20 1HB SER 20 -2.847 -6.919 4.763 162 HG SER 20 HG SER 20 0.070 -6.783 5.264 163 H ARG 21 H ARG 21 0.423 -5.029 4.081 164 HA ARG 21 HA ARG 21 1.058 -5.045 1.414 165 1HB ARG 21 2HB ARG 21 2.583 -5.049 3.575 166 2HB ARG 21 1HB ARG 21 2.709 -6.766 3.352 167 1HG ARG 21 2HG ARG 21 3.709 -6.479 1.157 168 2HG ARG 21 1HG ARG 21 3.424 -4.751 1.186 169 1HD ARG 21 2HD ARG 21 4.959 -4.528 3.175 170 2HD ARG 21 1HD ARG 21 5.289 -6.268 3.095 171 HE ARG 21 HE ARG 21 5.814 -5.203 0.552 172 1HH1 ARG 21 1HH2 ARG 21 7.015 -4.898 3.855 173 2HH1 ARG 21 2HH2 ARG 21 8.619 -4.465 3.366 174 1HH2 ARG 21 2HH1 ARG 21 7.932 -4.638 -0.054 175 2HH2 ARG 21 1HH1 ARG 21 9.135 -4.320 1.152 176 H LYS 22 H LYS 22 0.416 -7.830 3.481 177 HA LYS 22 HA LYS 22 0.713 -9.889 1.525 178 1HB LYS 22 2HB LYS 22 -0.029 -11.339 3.137 179 2HB LYS 22 1HB LYS 22 0.875 -10.117 4.002 180 1HG LYS 22 2HG LYS 22 -0.934 -10.139 5.417 181 2HG LYS 22 1HG LYS 22 -1.736 -9.133 4.234 182 1HD LYS 22 2HD LYS 22 -2.690 -11.026 3.120 183 2HD LYS 22 1HD LYS 22 -1.828 -12.152 4.120 184 1HE LYS 22 1HE LYS 22 -3.039 -11.488 6.143 185 2HE LYS 22 2HE LYS 22 -3.751 -10.100 5.337 186 1HZ LYS 22 2HZ LYS 22 -4.287 -12.898 4.627 187 2HZ LYS 22 1HZ LYS 22 -5.272 -11.898 5.589 188 3HZ LYS 22 3HZ LYS 22 -5.003 -11.501 3.961 189 H ASP 23 H ASP 23 -1.960 -7.805 2.365 190 HA ASP 23 HA ASP 23 -3.842 -9.629 1.190 191 1HB ASP 23 2HB ASP 23 -4.075 -6.796 2.345 192 2HB ASP 23 1HB ASP 23 -5.418 -7.477 1.496 193 H ALA 24 H ALA 24 -1.917 -7.048 0.234 194 HA ALA 24 HA ALA 24 -3.456 -6.433 -2.209 195 1HB ALA 24 2HB ALA 24 -0.779 -5.490 -1.083 196 2HB ALA 24 1HB ALA 24 -1.430 -4.912 -2.627 197 3HB ALA 24 3HB ALA 24 -2.353 -4.674 -1.149 198 H GLU 25 H GLU 25 -0.944 -8.512 -1.151 199 HA GLU 25 HA GLU 25 0.102 -9.174 -3.777 200 1HB GLU 25 2HB GLU 25 0.479 -10.325 -0.957 201 2HB GLU 25 1HB GLU 25 1.217 -11.069 -2.348 202 1HG GLU 25 2HG GLU 25 2.558 -9.098 -2.823 203 2HG GLU 25 1HG GLU 25 1.748 -8.144 -1.615 204 H ARG 26 H ARG 26 -2.361 -10.257 -1.481 205 HA ARG 26 HA ARG 26 -2.657 -12.887 -2.474 206 1HB ARG 26 2HB ARG 26 -4.466 -13.048 -1.009 207 2HB ARG 26 1HB ARG 26 -3.593 -11.711 -0.324 208 1HG ARG 26 2HG ARG 26 -5.287 -10.258 -1.816 209 2HG ARG 26 1HG ARG 26 -6.206 -11.706 -1.838 210 1HD ARG 26 2HD ARG 26 -5.684 -11.384 0.930 211 2HD ARG 26 1HD ARG 26 -5.817 -9.730 0.354 212 HE ARG 26 HE ARG 26 -8.052 -10.026 0.162 213 1HH1 ARG 26 1HH2 ARG 26 -6.485 -13.164 -0.024 214 2HH1 ARG 26 2HH2 ARG 26 -7.967 -14.061 -0.010 215 1HH2 ARG 26 2HH1 ARG 26 -9.988 -11.206 0.193 216 2HH2 ARG 26 1HH1 ARG 26 -9.969 -12.935 0.118 217 H GLN 27 H GLN 27 -3.957 -9.834 -3.352 218 HA GLN 27 HA GLN 27 -5.897 -10.871 -5.260 219 1HB GLN 27 2HB GLN 27 -4.888 -7.987 -5.124 220 2HB GLN 27 1HB GLN 27 -6.351 -8.561 -5.897 221 1HG GLN 27 2HG GLN 27 -7.058 -9.442 -3.536 222 2HG GLN 27 1HG GLN 27 -5.727 -8.479 -2.928 223 1HE2 GLN 27 2HE2 GLN 27 -8.704 -6.469 -2.435 224 2HE2 GLN 27 1HE2 GLN 27 -7.961 -7.923 -1.855 225 H LEU 28 H LEU 28 -2.578 -9.442 -5.627 226 HA LEU 28 HA LEU 28 -2.843 -9.612 -8.493 227 1HB LEU 28 2HB LEU 28 -0.541 -8.861 -6.687 228 2HB LEU 28 1HB LEU 28 -0.454 -8.699 -8.440 229 HG LEU 28 HG LEU 28 -2.591 -7.380 -6.767 230 1HD1 LEU 28 3HD1 LEU 28 -0.203 -6.661 -6.335 231 2HD1 LEU 28 2HD1 LEU 28 -0.096 -6.223 -8.035 232 3HD1 LEU 28 1HD1 LEU 28 -1.229 -5.378 -6.970 233 1HD2 LEU 28 3HD2 LEU 28 -1.752 -7.297 -9.697 234 2HD2 LEU 28 2HD2 LEU 28 -3.347 -7.699 -9.094 235 3HD2 LEU 28 1HD2 LEU 28 -2.760 -6.065 -8.974 236 H LEU 29 H LEU 29 -1.685 -11.845 -6.003 237 HA LEU 29 HA LEU 29 -0.187 -13.397 -7.926 238 1HB LEU 29 2HB LEU 29 -1.321 -13.972 -5.160 239 2HB LEU 29 1HB LEU 29 -0.316 -15.110 -6.011 240 HG LEU 29 HG LEU 29 0.658 -12.263 -5.447 241 1HD1 LEU 29 2HD1 LEU 29 -0.039 -13.300 -3.340 242 2HD1 LEU 29 1HD1 LEU 29 1.002 -14.686 -3.651 243 3HD1 LEU 29 3HD1 LEU 29 1.713 -13.083 -3.420 244 1HD2 LEU 29 1HD2 LEU 29 2.128 -14.899 -6.038 245 2HD2 LEU 29 3HD2 LEU 29 1.971 -13.536 -7.141 246 3HD2 LEU 29 2HD2 LEU 29 2.870 -13.348 -5.640 247 H ALA 30 H ALA 30 -3.503 -12.814 -7.442 248 HA ALA 30 HA ALA 30 -4.584 -15.385 -7.825 249 1HB ALA 30 3HB ALA 30 -5.886 -13.369 -7.042 250 2HB ALA 30 2HB ALA 30 -5.792 -12.686 -8.666 251 3HB ALA 30 1HB ALA 30 -6.677 -14.174 -8.392 252 HA PRO 31 HA PRO 31 -3.768 -16.058 -12.142 253 1HB PRO 31 2HB PRO 31 -5.638 -18.018 -12.712 254 2HB PRO 31 1HB PRO 31 -4.223 -18.278 -11.699 255 1HG PRO 31 2HG PRO 31 -7.009 -17.639 -10.767 256 2HG PRO 31 1HG PRO 31 -5.925 -18.903 -10.145 257 1HD PRO 31 1HD PRO 31 -6.197 -16.517 -8.876 258 2HD PRO 31 2HD PRO 31 -4.619 -17.347 -8.956 259 H MET 32 H MET 32 -6.582 -14.449 -10.995 260 HA MET 32 HA MET 32 -8.192 -14.326 -13.250 261 1HB MET 32 2HB MET 32 -7.673 -12.760 -10.690 262 2HB MET 32 1HB MET 32 -8.833 -12.192 -11.827 263 1HG MET 32 2HG MET 32 -10.122 -13.447 -10.303 264 2HG MET 32 1HG MET 32 -9.970 -14.460 -11.719 265 1HE MET 32 2HE MET 32 -8.982 -13.702 -8.164 266 2HE MET 32 1HE MET 32 -10.320 -14.849 -8.171 267 3HE MET 32 3HE MET 32 -8.742 -15.318 -7.485 268 H ASN 33 H ASN 33 -5.404 -12.700 -12.132 269 HA ASN 33 HA ASN 33 -5.344 -10.919 -14.537 270 1HB ASN 33 2HB ASN 33 -4.120 -10.199 -11.804 271 2HB ASN 33 1HB ASN 33 -4.430 -9.129 -13.178 272 1HD2 ASN 33 2HD2 ASN 33 -7.882 -8.776 -12.701 273 2HD2 ASN 33 1HD2 ASN 33 -6.622 -8.781 -13.873 274 H LYS 34 H LYS 34 -2.865 -9.824 -14.258 275 HA LYS 34 HA LYS 34 -0.858 -11.817 -13.921 276 1HB LYS 34 2HB LYS 34 -0.141 -11.821 -16.420 277 2HB LYS 34 1HB LYS 34 -1.480 -12.811 -15.961 278 1HG LYS 34 2HG LYS 34 -1.824 -11.609 -18.073 279 2HG LYS 34 1HG LYS 34 -3.088 -11.341 -16.904 280 1HD LYS 34 2HD LYS 34 -2.330 -9.108 -16.441 281 2HD LYS 34 1HD LYS 34 -0.829 -9.310 -17.324 282 1HE LYS 34 1HE LYS 34 -3.629 -9.342 -18.570 283 2HE LYS 34 2HE LYS 34 -2.546 -7.960 -18.568 284 1HZ LYS 34 3HZ LYS 34 -2.009 -10.553 -19.848 285 2HZ LYS 34 2HZ LYS 34 -2.491 -9.126 -20.624 286 3HZ LYS 34 1HZ LYS 34 -0.982 -9.205 -19.853 287 H ALA 35 H ALA 35 1.208 -11.141 -14.390 288 HA ALA 35 HA ALA 35 2.339 -9.145 -13.547 289 1HB ALA 35 3HB ALA 35 3.538 -10.879 -14.931 290 2HB ALA 35 2HB ALA 35 3.134 -9.988 -16.387 291 3HB ALA 35 1HB ALA 35 4.196 -9.273 -15.171 292 H GLY 36 H GLY 36 1.866 -7.268 -13.303 293 1HA GLY 36 2HA GLY 36 2.140 -5.113 -13.966 294 2HA GLY 36 1HA GLY 36 1.518 -5.383 -15.580 295 H SER 37 H SER 37 -0.768 -6.967 -13.857 296 HA SER 37 HA SER 37 -2.610 -5.104 -13.172 297 1HB SER 37 2HB SER 37 -3.446 -6.966 -11.528 298 2HB SER 37 1HB SER 37 -3.666 -7.067 -13.184 299 HG SER 37 HG SER 37 -1.184 -8.547 -12.722 300 H PHE 38 H PHE 38 -3.132 -3.964 -11.193 301 HA PHE 38 HA PHE 38 -0.797 -4.050 -9.216 302 1HB PHE 38 2HB PHE 38 -2.475 -1.407 -9.208 303 2HB PHE 38 1HB PHE 38 -0.753 -1.674 -9.071 304 HD1 PHE 38 HD2 PHE 38 -0.647 -2.853 -11.997 305 HD2 PHE 38 HD1 PHE 38 -2.114 0.611 -10.134 306 HE1 PHE 38 HE2 PHE 38 -1.024 -1.808 -14.238 307 HE2 PHE 38 HE1 PHE 38 -2.592 1.639 -12.263 308 HZ PHE 38 HZ PHE 38 -1.963 0.455 -14.368 309 H LEU 39 H LEU 39 -1.222 -2.632 -7.546 310 HA LEU 39 HA LEU 39 -3.572 -2.121 -5.961 311 1HB LEU 39 2HB LEU 39 -1.206 -3.895 -5.290 312 2HB LEU 39 1HB LEU 39 -1.746 -2.859 -4.030 313 HG LEU 39 HG LEU 39 -2.585 -5.278 -4.138 314 1HD1 LEU 39 2HD1 LEU 39 -3.191 -3.338 -2.647 315 2HD1 LEU 39 1HD1 LEU 39 -4.394 -2.866 -3.794 316 3HD1 LEU 39 3HD1 LEU 39 -4.590 -4.415 -2.914 317 1HD2 LEU 39 2HD2 LEU 39 -4.708 -4.126 -5.989 318 2HD2 LEU 39 1HD2 LEU 39 -3.540 -5.426 -6.361 319 3HD2 LEU 39 3HD2 LEU 39 -4.739 -5.647 -5.097 320 H ILE 40 H ILE 40 -3.055 -0.146 -4.592 321 HA ILE 40 HA ILE 40 -0.154 0.545 -4.693 322 HB ILE 40 HB ILE 40 -1.717 1.378 -6.878 323 1HG1 ILE 40 1HG1 ILE 40 0.319 3.399 -5.828 324 2HG1 ILE 40 2HG1 ILE 40 0.821 1.777 -6.198 325 1HG2 ILE 40 2HG2 ILE 40 -3.086 2.885 -5.303 326 2HG2 ILE 40 1HG2 ILE 40 -1.565 3.799 -5.063 327 3HG2 ILE 40 3HG2 ILE 40 -2.225 3.706 -6.632 328 1HD1 ILE 40 2HD1 ILE 40 -0.380 2.021 -8.567 329 2HD1 ILE 40 1HD1 ILE 40 -0.403 3.699 -8.194 330 3HD1 ILE 40 3HD1 ILE 40 1.128 2.843 -8.295 331 H ARG 41 H ARG 41 -1.105 -0.417 -2.758 332 HA ARG 41 HA ARG 41 -2.778 1.089 -0.990 333 1HB ARG 41 2HB ARG 41 -2.680 -0.786 0.353 334 2HB ARG 41 1HB ARG 41 -2.372 -1.454 -1.206 335 1HG ARG 41 2HG ARG 41 -0.843 -2.560 0.164 336 2HG ARG 41 1HG ARG 41 0.178 -1.349 -0.564 337 1HD ARG 41 2HD ARG 41 0.325 -0.083 1.468 338 2HD ARG 41 1HD ARG 41 -1.187 -0.757 2.102 339 HE ARG 41 HE ARG 41 0.992 -2.658 1.750 340 1HH1 ARG 41 1HH2 ARG 41 -0.513 -0.224 3.845 341 2HH1 ARG 41 2HH2 ARG 41 0.219 -0.829 5.290 342 1HH2 ARG 41 2HH1 ARG 41 1.975 -3.375 3.676 343 2HH2 ARG 41 1HH1 ARG 41 1.656 -2.587 5.189 344 H GLU 42 H GLU 42 -2.226 2.412 0.697 345 HA GLU 42 HA GLU 42 0.510 3.402 0.715 346 1HB GLU 42 2HB GLU 42 -0.315 5.407 1.553 347 2HB GLU 42 1HB GLU 42 -1.709 4.818 0.692 348 1HG GLU 42 2HG GLU 42 -2.789 4.172 2.686 349 2HG GLU 42 1HG GLU 42 -1.427 4.518 3.733 350 H SER 43 H SER 43 1.371 4.248 2.772 351 HA SER 43 HA SER 43 1.596 1.946 4.639 352 1HB SER 43 2HB SER 43 3.782 2.996 3.587 353 2HB SER 43 1HB SER 43 3.245 4.477 3.911 354 HG SER 43 HG SER 43 3.725 3.377 6.587 355 H GLU 44 H GLU 44 -0.605 2.772 5.414 356 HA GLU 44 HA GLU 44 -1.754 4.880 6.092 357 1HB GLU 44 2HB GLU 44 -2.566 3.832 8.286 358 2HB GLU 44 1HB GLU 44 -2.755 3.014 6.783 359 1HG GLU 44 2HG GLU 44 -0.630 1.619 7.344 360 2HG GLU 44 1HG GLU 44 -0.670 2.365 8.920 361 H SER 45 H SER 45 0.961 3.940 7.976 362 HA SER 45 HA SER 45 1.102 5.893 10.111 363 1HB SER 45 2HB SER 45 3.377 4.543 10.235 364 2HB SER 45 1HB SER 45 1.952 3.674 10.489 365 HG SER 45 HG SER 45 2.528 3.340 7.614 366 H ASN 46 H ASN 46 1.334 6.595 7.025 367 HA ASN 46 HA ASN 46 4.067 7.716 6.857 368 1HB ASN 46 2HB ASN 46 3.500 7.745 4.387 369 2HB ASN 46 1HB ASN 46 3.253 6.212 5.081 370 1HD2 ASN 46 2HD2 ASN 46 0.224 6.331 3.269 371 2HD2 ASN 46 1HD2 ASN 46 1.870 5.804 3.253 372 H LYS 47 H LYS 47 4.118 9.332 5.162 373 HA LYS 47 HA LYS 47 2.637 11.699 5.728 374 1HB LYS 47 2HB LYS 47 4.616 12.831 4.448 375 2HB LYS 47 1HB LYS 47 4.937 12.186 6.034 376 1HG LYS 47 2HG LYS 47 5.181 10.218 3.855 377 2HG LYS 47 1HG LYS 47 6.367 11.499 3.760 378 1HD LYS 47 2HD LYS 47 5.827 10.012 6.353 379 2HD LYS 47 1HD LYS 47 6.911 9.328 5.157 380 1HE LYS 47 1HE LYS 47 8.361 11.367 5.270 381 2HE LYS 47 2HE LYS 47 7.281 12.082 6.457 382 1HZ LYS 47 1HZ LYS 47 8.790 9.577 6.805 383 2HZ LYS 47 3HZ LYS 47 9.193 11.092 7.454 384 3HZ LYS 47 2HZ LYS 47 7.777 10.304 7.954 385 H GLY 48 H GLY 48 1.527 9.656 4.232 386 1HA GLY 48 2HA GLY 48 0.056 9.599 2.505 387 2HA GLY 48 1HA GLY 48 0.790 11.089 1.780 388 H ALA 49 H ALA 49 2.609 8.433 2.931 389 HA ALA 49 HA ALA 49 3.860 7.941 0.335 390 1HB ALA 49 2HB ALA 49 5.028 7.552 2.619 391 2HB ALA 49 1HB ALA 49 4.130 6.024 2.774 392 3HB ALA 49 3HB ALA 49 5.249 6.248 1.455 393 H PHE 50 H PHE 50 2.696 6.980 -1.260 394 HA PHE 50 HA PHE 50 0.843 4.806 -0.624 395 1HB PHE 50 2HB PHE 50 1.455 6.215 -3.272 396 2HB PHE 50 1HB PHE 50 0.550 4.751 -3.181 397 HD1 PHE 50 HD2 PHE 50 0.285 7.390 -0.471 398 HD2 PHE 50 HD1 PHE 50 -1.532 5.579 -3.909 399 HE1 PHE 50 HE2 PHE 50 -1.771 8.513 0.040 400 HE2 PHE 50 HE1 PHE 50 -3.631 6.702 -3.342 401 HZ PHE 50 HZ PHE 50 -3.765 8.189 -1.382 402 H SER 51 H SER 51 1.058 2.658 -2.120 403 HA SER 51 HA SER 51 3.798 2.013 -2.770 404 1HB SER 51 2HB SER 51 2.625 0.257 -0.527 405 2HB SER 51 1HB SER 51 4.199 0.259 -1.112 406 HG SER 51 HG SER 51 3.767 2.874 0.273 407 H LEU 52 H LEU 52 3.713 1.066 -4.448 408 HA LEU 52 HA LEU 52 1.419 -0.407 -5.463 409 1HB LEU 52 2HB LEU 52 2.789 1.388 -6.695 410 2HB LEU 52 1HB LEU 52 4.220 0.485 -6.463 411 HG LEU 52 HG LEU 52 3.486 -1.130 -8.170 412 1HD1 LEU 52 1HD1 LEU 52 0.963 0.464 -7.970 413 2HD1 LEU 52 3HD1 LEU 52 1.315 -0.364 -9.498 414 3HD1 LEU 52 2HD1 LEU 52 1.151 -1.285 -7.995 415 1HD2 LEU 52 2HD2 LEU 52 4.694 0.965 -8.869 416 2HD2 LEU 52 3HD2 LEU 52 3.596 0.402 -10.113 417 3HD2 LEU 52 1HD2 LEU 52 3.157 1.793 -9.128 418 H SER 53 H SER 53 1.193 -2.314 -5.989 419 HA SER 53 HA SER 53 3.302 -4.353 -5.601 420 1HB SER 53 2HB SER 53 0.433 -5.182 -5.081 421 2HB SER 53 1HB SER 53 1.840 -5.833 -4.497 422 HG SER 53 HG SER 53 1.371 -3.205 -3.120 423 H VAL 54 H VAL 54 3.534 -5.632 -7.276 424 HA VAL 54 HA VAL 54 1.447 -5.579 -9.429 425 HB VAL 54 HB VAL 54 4.468 -5.230 -9.794 426 1HG1 VAL 54 2HG1 VAL 54 2.243 -5.310 -11.854 427 2HG1 VAL 54 1HG1 VAL 54 3.902 -4.804 -12.218 428 3HG1 VAL 54 3HG1 VAL 54 3.578 -6.456 -11.720 429 1HG2 VAL 54 1HG2 VAL 54 3.432 -3.124 -8.976 430 2HG2 VAL 54 3HG2 VAL 54 3.955 -2.950 -10.637 431 3HG2 VAL 54 2HG2 VAL 54 2.241 -3.184 -10.267 432 H LYS 55 H LYS 55 1.441 -7.756 -10.718 433 HA LYS 55 HA LYS 55 2.553 -9.837 -8.982 434 1HB LYS 55 2HB LYS 55 0.390 -10.069 -10.253 435 2HB LYS 55 1HB LYS 55 1.347 -10.119 -11.724 436 1HG LYS 55 2HG LYS 55 2.581 -12.130 -10.607 437 2HG LYS 55 1HG LYS 55 1.218 -12.222 -9.532 438 1HD LYS 55 2HD LYS 55 0.844 -12.147 -12.551 439 2HD LYS 55 1HD LYS 55 1.318 -13.624 -11.757 440 1HE LYS 55 1HE LYS 55 -0.779 -13.409 -10.301 441 2HE LYS 55 2HE LYS 55 -1.303 -12.103 -11.368 442 1HZ LYS 55 1HZ LYS 55 -0.678 -14.850 -12.192 443 2HZ LYS 55 3HZ LYS 55 -2.227 -14.237 -11.845 444 3HZ LYS 55 2HZ LYS 55 -1.366 -13.629 -13.166 445 H ASP 56 H ASP 56 5.025 -10.030 -9.079 446 HA ASP 56 HA ASP 56 6.053 -9.784 -11.824 447 1HB ASP 56 2HB ASP 56 7.393 -8.762 -10.268 448 2HB ASP 56 1HB ASP 56 7.493 -10.141 -9.202 449 H ILE 57 H ILE 57 6.474 -11.268 -13.187 450 HA ILE 57 HA ILE 57 6.157 -14.112 -12.353 451 HB ILE 57 HB ILE 57 5.302 -12.886 -14.992 452 1HG1 ILE 57 1HG1 ILE 57 3.709 -13.820 -12.564 453 2HG1 ILE 57 2HG1 ILE 57 3.660 -12.241 -13.317 454 1HG2 ILE 57 3HG2 ILE 57 6.168 -15.259 -15.185 455 2HG2 ILE 57 2HG2 ILE 57 4.979 -15.758 -13.987 456 3HG2 ILE 57 1HG2 ILE 57 4.472 -15.148 -15.563 457 1HD1 ILE 57 2HD1 ILE 57 2.742 -13.407 -15.424 458 2HD1 ILE 57 1HD1 ILE 57 2.553 -14.842 -14.396 459 3HD1 ILE 57 3HD1 ILE 57 1.663 -13.375 -14.040 460 H THR 58 H THR 58 8.106 -14.510 -12.017 461 HA THR 58 HA THR 58 10.184 -14.150 -14.105 462 HB THR 58 HB THR 58 10.669 -13.131 -11.981 463 HG1 THR 58 HG1 THR 58 12.477 -15.493 -12.186 464 1HG2 THR 58 2HG2 THR 58 9.803 -15.679 -10.515 465 2HG2 THR 58 1HG2 THR 58 10.671 -14.339 -9.746 466 3HG2 THR 58 3HG2 THR 58 9.134 -14.081 -10.498 467 H THR 59 H THR 59 11.878 -15.989 -14.071 468 HA THR 59 HA THR 59 10.373 -18.399 -14.541 469 HB THR 59 HB THR 59 12.125 -18.067 -16.006 470 HG1 THR 59 HG1 THR 59 12.798 -20.533 -14.451 471 1HG2 THR 59 3HG2 THR 59 14.183 -17.773 -13.733 472 2HG2 THR 59 2HG2 THR 59 14.580 -17.997 -15.427 473 3HG2 THR 59 1HG2 THR 59 13.644 -16.636 -14.974 474 H GLN 60 H GLN 60 11.407 -17.092 -11.663 475 HA GLN 60 HA GLN 60 12.186 -19.593 -10.354 476 1HB GLN 60 2HB GLN 60 11.571 -16.806 -9.336 477 2HB GLN 60 1HB GLN 60 11.848 -18.105 -8.240 478 1HG GLN 60 2HG GLN 60 14.109 -18.389 -8.794 479 2HG GLN 60 1HG GLN 60 13.994 -17.654 -10.352 480 1HE2 GLN 60 2HE2 GLN 60 13.696 -15.028 -7.149 481 2HE2 GLN 60 1HE2 GLN 60 12.715 -16.444 -7.240 482 H GLY 61 H GLY 61 9.332 -17.646 -10.855 483 1HA GLY 61 2HA GLY 61 7.304 -19.234 -10.799 484 2HA GLY 61 1HA GLY 61 7.669 -19.254 -9.017 485 H GLU 62 H GLU 62 5.181 -18.391 -9.605 486 HA GLU 62 HA GLU 62 4.993 -15.682 -10.219 487 1HB GLU 62 2HB GLU 62 3.249 -17.687 -10.172 488 2HB GLU 62 1HB GLU 62 2.953 -17.185 -8.517 489 1HG GLU 62 2HG GLU 62 2.442 -14.865 -9.322 490 2HG GLU 62 1HG GLU 62 2.805 -15.388 -10.967 491 H VAL 63 H VAL 63 4.895 -13.888 -9.031 492 HA VAL 63 HA VAL 63 4.864 -13.917 -6.145 493 HB VAL 63 HB VAL 63 7.181 -14.470 -6.723 494 1HG1 VAL 63 2HG1 VAL 63 7.164 -12.070 -8.583 495 2HG1 VAL 63 1HG1 VAL 63 8.640 -12.874 -8.053 496 3HG1 VAL 63 3HG1 VAL 63 7.439 -13.760 -8.972 497 1HG2 VAL 63 2HG2 VAL 63 6.781 -12.857 -4.794 498 2HG2 VAL 63 1HG2 VAL 63 8.401 -12.846 -5.480 499 3HG2 VAL 63 3HG2 VAL 63 7.295 -11.551 -5.865 500 H VAL 64 H VAL 64 5.324 -11.442 -5.602 501 HA VAL 64 HA VAL 64 3.936 -9.695 -7.540 502 HB VAL 64 HB VAL 64 3.227 -10.235 -4.702 503 1HG1 VAL 64 2HG1 VAL 64 2.684 -7.588 -6.089 504 2HG1 VAL 64 1HG1 VAL 64 1.808 -8.170 -4.699 505 3HG1 VAL 64 3HG1 VAL 64 3.523 -7.762 -4.510 506 1HG2 VAL 64 1HG2 VAL 64 1.918 -11.040 -6.778 507 2HG2 VAL 64 3HG2 VAL 64 0.992 -10.082 -5.593 508 3HG2 VAL 64 2HG2 VAL 64 1.575 -9.320 -7.049 509 H LYS 65 H LYS 65 4.519 -7.274 -6.312 510 HA LYS 65 HA LYS 65 7.404 -7.233 -5.736 511 1HB LYS 65 2HB LYS 65 6.017 -5.993 -8.166 512 2HB LYS 65 1HB LYS 65 7.356 -5.140 -7.465 513 1HG LYS 65 2HG LYS 65 7.604 -8.037 -8.281 514 2HG LYS 65 1HG LYS 65 7.883 -6.785 -9.421 515 1HD LYS 65 2HD LYS 65 9.410 -7.096 -6.800 516 2HD LYS 65 1HD LYS 65 9.952 -7.691 -8.342 517 1HE LYS 65 1HE LYS 65 9.475 -4.722 -7.732 518 2HE LYS 65 2HE LYS 65 11.030 -5.531 -7.719 519 1HZ LYS 65 3HZ LYS 65 10.661 -6.101 -10.047 520 2HZ LYS 65 2HZ LYS 65 9.259 -5.141 -10.021 521 3HZ LYS 65 1HZ LYS 65 10.768 -4.437 -9.736 522 H HIS 66 H HIS 66 8.079 -4.873 -5.175 523 HA HIS 66 HA HIS 66 5.809 -3.399 -4.002 524 1HB HIS 66 2HB HIS 66 8.244 -4.477 -2.461 525 2HB HIS 66 1HB HIS 66 7.193 -3.219 -1.837 526 HD1 HIS 66 HD1 HIS 66 7.408 -6.854 -1.992 527 HD2 HIS 66 HD2 HIS 66 4.358 -3.981 -1.746 528 HE1 HIS 66 HE1 HIS 66 5.324 -8.048 -1.198 529 H TYR 67 H TYR 67 5.966 -1.348 -4.277 530 HA TYR 67 HA TYR 67 8.600 -0.035 -4.593 531 1HB TYR 67 2HB TYR 67 6.260 0.889 -6.317 532 2HB TYR 67 1HB TYR 67 7.960 1.224 -6.498 533 HD1 TYR 67 HD1 TYR 67 5.379 -1.363 -6.860 534 HD2 TYR 67 HD2 TYR 67 9.401 -0.268 -7.694 535 HE1 TYR 67 HE1 TYR 67 5.513 -3.270 -8.246 536 HE2 TYR 67 HE2 TYR 67 9.648 -2.184 -9.160 537 HH TYR 67 HH TYR 67 7.386 -3.835 -10.627 538 H LYS 68 H LYS 68 8.701 1.939 -3.794 539 HA LYS 68 HA LYS 68 6.588 2.695 -1.863 540 1HB LYS 68 2HB LYS 68 8.317 3.670 -0.508 541 2HB LYS 68 1HB LYS 68 8.515 1.958 -0.765 542 1HG LYS 68 2HG LYS 68 9.972 4.024 -2.398 543 2HG LYS 68 1HG LYS 68 10.588 3.427 -0.887 544 1HD LYS 68 2HD LYS 68 11.473 1.592 -1.920 545 2HD LYS 68 1HD LYS 68 9.884 1.130 -2.452 546 1HE LYS 68 1HE LYS 68 11.184 1.320 -4.457 547 2HE LYS 68 2HE LYS 68 10.155 2.745 -4.432 548 1HZ LYS 68 1HZ LYS 68 11.978 4.003 -3.559 549 2HZ LYS 68 3HZ LYS 68 12.982 2.635 -3.632 550 3HZ LYS 68 2HZ LYS 68 12.334 3.303 -5.060 551 H ILE 69 H ILE 69 5.504 3.686 -3.507 552 HA ILE 69 HA ILE 69 6.551 6.148 -4.634 553 HB ILE 69 HB ILE 69 3.984 6.838 -4.734 554 1HG1 ILE 69 1HG1 ILE 69 3.390 4.565 -3.693 555 2HG1 ILE 69 2HG1 ILE 69 2.406 5.322 -4.874 556 1HG2 ILE 69 2HG2 ILE 69 5.585 6.851 -6.520 557 2HG2 ILE 69 1HG2 ILE 69 5.037 5.218 -6.965 558 3HG2 ILE 69 3HG2 ILE 69 3.886 6.575 -6.861 559 1HD1 ILE 69 3HD1 ILE 69 3.319 3.818 -6.663 560 2HD1 ILE 69 2HD1 ILE 69 4.233 2.951 -5.418 561 3HD1 ILE 69 1HD1 ILE 69 2.465 3.025 -5.385 562 H ARG 70 H ARG 70 7.439 7.391 -3.330 563 HA ARG 70 HA ARG 70 6.392 8.285 -0.760 564 1HB ARG 70 2HB ARG 70 8.733 9.117 -2.487 565 2HB ARG 70 1HB ARG 70 8.385 9.764 -0.897 566 1HG ARG 70 2HG ARG 70 8.221 7.135 -0.315 567 2HG ARG 70 1HG ARG 70 9.392 7.040 -1.640 568 1HD ARG 70 2HD ARG 70 10.576 9.035 -0.458 569 2HD ARG 70 1HD ARG 70 9.553 8.627 0.930 570 HE ARG 70 HE ARG 70 11.988 7.383 0.137 571 1HH1 ARG 70 1HH2 ARG 70 8.797 6.474 1.367 572 2HH1 ARG 70 2HH2 ARG 70 9.379 5.053 2.168 573 1HH2 ARG 70 2HH1 ARG 70 12.702 5.514 1.219 574 2HH2 ARG 70 1HH1 ARG 70 11.586 4.511 2.082 575 H SER 71 H SER 71 5.219 9.961 -0.509 576 HA SER 71 HA SER 71 4.442 11.675 -2.818 577 1HB SER 71 2HB SER 71 2.643 12.556 -1.335 578 2HB SER 71 1HB SER 71 2.542 10.883 -1.479 579 HG SER 71 HG SER 71 4.019 11.413 1.052 580 H LEU 72 H LEU 72 5.498 13.464 -3.074 581 HA LEU 72 HA LEU 72 6.977 14.726 -0.853 582 1HB LEU 72 2HB LEU 72 7.363 15.517 -3.746 583 2HB LEU 72 1HB LEU 72 8.501 15.500 -2.431 584 HG LEU 72 HG LEU 72 9.192 13.890 -3.742 585 1HD1 LEU 72 3HD1 LEU 72 8.057 12.973 -1.212 586 2HD1 LEU 72 2HD1 LEU 72 8.307 11.657 -2.330 587 3HD1 LEU 72 1HD1 LEU 72 9.616 12.769 -1.895 588 1HD2 LEU 72 1HD2 LEU 72 7.030 13.828 -5.134 589 2HD2 LEU 72 3HD2 LEU 72 8.013 12.367 -5.100 590 3HD2 LEU 72 2HD2 LEU 72 6.557 12.459 -4.152 591 H ASP 73 H ASP 73 7.247 16.740 -0.755 592 HA ASP 73 HA ASP 73 4.971 18.417 -0.595 593 1HB ASP 73 2HB ASP 73 6.613 20.121 0.194 594 2HB ASP 73 1HB ASP 73 6.890 18.574 0.959 595 H ASN 74 H ASN 74 7.199 17.846 -3.103 596 HA ASN 74 HA ASN 74 6.896 20.412 -4.393 597 1HB ASN 74 2HB ASN 74 8.194 19.425 -6.303 598 2HB ASN 74 1HB ASN 74 8.986 19.185 -4.762 599 1HD2 ASN 74 2HD2 ASN 74 9.385 15.813 -5.295 600 2HD2 ASN 74 1HD2 ASN 74 9.979 17.322 -4.702 601 H GLY 75 H GLY 75 5.272 17.548 -4.353 602 1HA GLY 75 2HA GLY 75 2.933 17.383 -4.890 603 2HA GLY 75 1HA GLY 75 3.156 18.646 -6.172 604 H GLY 76 H GLY 76 4.082 15.410 -5.130 605 1HA GLY 76 2HA GLY 76 3.408 14.100 -7.443 606 2HA GLY 76 1HA GLY 76 5.179 14.453 -7.516 607 H TYR 77 H TYR 77 5.098 12.281 -7.684 608 HA TYR 77 HA TYR 77 5.407 10.738 -5.196 609 1HB TYR 77 2HB TYR 77 3.809 9.647 -7.673 610 2HB TYR 77 1HB TYR 77 4.521 8.665 -6.459 611 HD1 TYR 77 HD1 TYR 77 3.912 8.877 -4.084 612 HD2 TYR 77 HD2 TYR 77 1.740 10.650 -7.222 613 HE1 TYR 77 HE1 TYR 77 2.030 8.934 -2.617 614 HE2 TYR 77 HE2 TYR 77 -0.306 10.688 -5.928 615 HH TYR 77 HH TYR 77 -0.959 8.946 -3.320 616 H TYR 78 H TYR 78 7.152 9.614 -5.174 617 HA TYR 78 HA TYR 78 8.512 9.152 -7.786 618 1HB TYR 78 2HB TYR 78 10.529 10.028 -7.204 619 2HB TYR 78 1HB TYR 78 9.499 11.153 -6.403 620 HD1 TYR 78 HD2 TYR 78 11.759 8.284 -5.938 621 HD2 TYR 78 HD1 TYR 78 9.604 11.401 -3.975 622 HE1 TYR 78 HE2 TYR 78 13.036 7.847 -4.001 623 HE2 TYR 78 HE1 TYR 78 10.889 11.073 -1.994 624 HH TYR 78 HH TYR 78 13.720 9.806 -1.682 625 H ILE 79 H ILE 79 9.468 7.408 -8.066 626 HA ILE 79 HA ILE 79 9.627 5.340 -5.890 627 HB ILE 79 HB ILE 79 9.388 3.635 -7.928 628 1HG1 ILE 79 1HG1 ILE 79 7.653 6.026 -8.673 629 2HG1 ILE 79 2HG1 ILE 79 8.942 5.350 -9.623 630 1HG2 ILE 79 3HG2 ILE 79 8.242 3.475 -5.810 631 2HG2 ILE 79 2HG2 ILE 79 7.088 4.709 -6.312 632 3HG2 ILE 79 1HG2 ILE 79 7.169 3.149 -7.150 633 1HD1 ILE 79 3HD1 ILE 79 7.577 3.203 -9.783 634 2HD1 ILE 79 2HD1 ILE 79 6.289 4.015 -8.922 635 3HD1 ILE 79 1HD1 ILE 79 6.791 4.661 -10.464 636 H SER 80 H SER 80 11.180 7.022 -8.306 637 HA SER 80 HA SER 80 13.781 6.077 -7.461 638 1HB SER 80 2HB SER 80 13.371 6.924 -10.391 639 2HB SER 80 1HB SER 80 14.593 5.998 -9.713 640 HG SER 80 HG SER 80 12.061 4.379 -9.741 641 HA PRO 81 HA PRO 81 13.242 10.448 -6.741 642 1HB PRO 81 2HB PRO 81 16.162 10.833 -6.490 643 2HB PRO 81 1HB PRO 81 14.877 10.969 -5.256 644 1HG PRO 81 2HG PRO 81 16.708 8.906 -5.267 645 2HG PRO 81 1HG PRO 81 15.071 8.759 -4.638 646 1HD PRO 81 1HD PRO 81 16.096 7.827 -7.281 647 2HD PRO 81 2HD PRO 81 14.955 7.052 -6.144 648 H ARG 82 H ARG 82 15.069 9.236 -9.317 649 HA ARG 82 HA ARG 82 15.494 11.788 -10.625 650 1HB ARG 82 2HB ARG 82 16.445 10.469 -12.469 651 2HB ARG 82 1HB ARG 82 17.123 10.102 -10.920 652 1HG ARG 82 2HG ARG 82 16.900 8.033 -12.023 653 2HG ARG 82 1HG ARG 82 15.646 8.001 -10.818 654 1HD ARG 82 2HD ARG 82 13.958 7.988 -12.404 655 2HD ARG 82 1HD ARG 82 14.799 9.113 -13.470 656 HE ARG 82 HE ARG 82 14.867 6.214 -13.543 657 1HH1 ARG 82 1HH2 ARG 82 16.569 9.181 -14.358 658 2HH1 ARG 82 2HH2 ARG 82 17.421 8.499 -15.703 659 1HH2 ARG 82 2HH1 ARG 82 16.004 5.319 -15.322 660 2HH2 ARG 82 1HH1 ARG 82 17.096 6.294 -16.243 661 H ILE 83 H ILE 83 12.855 9.519 -10.469 662 HA ILE 83 HA ILE 83 11.382 11.168 -12.421 663 HB ILE 83 HB ILE 83 9.984 9.257 -12.963 664 1HG1 ILE 83 1HG1 ILE 83 11.887 7.112 -12.436 665 2HG1 ILE 83 2HG1 ILE 83 11.483 7.935 -10.946 666 1HG2 ILE 83 2HG2 ILE 83 11.485 10.004 -14.621 667 2HG2 ILE 83 1HG2 ILE 83 12.783 9.002 -13.980 668 3HG2 ILE 83 3HG2 ILE 83 11.333 8.249 -14.651 669 1HD1 ILE 83 1HD1 ILE 83 9.048 7.775 -11.550 670 2HD1 ILE 83 3HD1 ILE 83 9.522 6.789 -12.945 671 3HD1 ILE 83 2HD1 ILE 83 9.835 6.254 -11.259 672 H THR 84 H THR 84 9.794 12.071 -11.785 673 HA THR 84 HA THR 84 8.188 11.075 -9.518 674 HB THR 84 HB THR 84 8.512 14.070 -9.851 675 HG1 THR 84 HG1 THR 84 11.004 12.641 -9.050 676 1HG2 THR 84 3HG2 THR 84 8.193 12.277 -7.443 677 2HG2 THR 84 2HG2 THR 84 8.422 14.024 -7.354 678 3HG2 THR 84 1HG2 THR 84 7.051 13.346 -8.207 679 H PHE 85 H PHE 85 6.207 11.899 -9.479 680 HA PHE 85 HA PHE 85 5.001 13.137 -11.918 681 1HB PHE 85 2HB PHE 85 4.200 10.331 -10.959 682 2HB PHE 85 1HB PHE 85 3.304 11.208 -12.162 683 HD1 PHE 85 HD1 PHE 85 4.356 11.750 -14.383 684 HD2 PHE 85 HD2 PHE 85 6.298 9.220 -11.529 685 HE1 PHE 85 HE1 PHE 85 5.860 10.918 -16.141 686 HE2 PHE 85 HE2 PHE 85 7.782 8.375 -13.300 687 HZ PHE 85 HZ PHE 85 7.611 9.241 -15.585 688 HA PRO 86 HA PRO 86 2.539 15.263 -8.821 689 1HB PRO 86 2HB PRO 86 0.192 15.718 -10.308 690 2HB PRO 86 1HB PRO 86 1.663 16.687 -10.315 691 1HG PRO 86 2HG PRO 86 0.812 14.602 -12.281 692 2HG PRO 86 1HG PRO 86 1.646 16.123 -12.611 693 1HD PRO 86 1HD PRO 86 2.969 13.745 -12.607 694 2HD PRO 86 2HD PRO 86 3.765 15.218 -12.014 695 H THR 87 H THR 87 1.235 12.386 -10.284 696 HA THR 87 HA THR 87 0.018 11.685 -7.747 697 HB THR 87 HB THR 87 -1.854 12.781 -8.743 698 HG1 THR 87 HG1 THR 87 -2.477 9.877 -8.691 699 1HG2 THR 87 1HG2 THR 87 -1.370 11.290 -11.309 700 2HG2 THR 87 3HG2 THR 87 -2.837 12.236 -10.923 701 3HG2 THR 87 2HG2 THR 87 -1.256 12.984 -10.911 702 H LEU 88 H LEU 88 -0.928 9.318 -8.050 703 HA LEU 88 HA LEU 88 1.129 7.821 -9.273 704 1HB LEU 88 2HB LEU 88 -1.669 6.903 -8.422 705 2HB LEU 88 1HB LEU 88 -0.671 5.921 -9.405 706 HG LEU 88 HG LEU 88 -0.698 5.322 -7.148 707 1HD1 LEU 88 3HD1 LEU 88 1.322 4.881 -8.565 708 2HD1 LEU 88 2HD1 LEU 88 2.107 6.231 -7.772 709 3HD1 LEU 88 1HD1 LEU 88 1.503 4.835 -6.820 710 1HD2 LEU 88 3HD2 LEU 88 -0.910 7.381 -6.067 711 2HD2 LEU 88 2HD2 LEU 88 0.358 6.255 -5.437 712 3HD2 LEU 88 1HD2 LEU 88 0.841 7.715 -6.343 713 H GLN 89 H GLN 89 -1.894 9.244 -10.734 714 HA GLN 89 HA GLN 89 -1.884 7.137 -12.827 715 1HB GLN 89 2HB GLN 89 -3.494 8.239 -14.151 716 2HB GLN 89 1HB GLN 89 -3.939 7.778 -12.553 717 1HG GLN 89 2HG GLN 89 -4.958 9.844 -12.945 718 2HG GLN 89 1HG GLN 89 -3.692 10.022 -11.761 719 1HE2 GLN 89 2HE2 GLN 89 -2.359 11.360 -15.430 720 2HE2 GLN 89 1HE2 GLN 89 -2.643 9.693 -15.091 721 H ALA 90 H ALA 90 -0.455 10.327 -12.741 722 HA ALA 90 HA ALA 90 0.309 10.200 -15.531 723 1HB ALA 90 1HB ALA 90 1.553 11.817 -13.223 724 2HB ALA 90 3HB ALA 90 1.946 12.074 -14.927 725 3HB ALA 90 2HB ALA 90 0.316 12.369 -14.333 726 H LEU 91 H LEU 91 1.456 8.677 -12.725 727 HA LEU 91 HA LEU 91 4.045 7.857 -13.753 728 1HB LEU 91 2HB LEU 91 4.165 8.220 -11.515 729 2HB LEU 91 1HB LEU 91 2.531 7.926 -11.165 730 HG LEU 91 HG LEU 91 4.450 5.627 -11.760 731 1HD1 LEU 91 1HD1 LEU 91 3.996 7.110 -9.134 732 2HD1 LEU 91 3HD1 LEU 91 4.744 5.523 -9.245 733 3HD1 LEU 91 2HD1 LEU 91 5.521 6.916 -9.994 734 1HD2 LEU 91 3HD2 LEU 91 1.793 5.928 -10.245 735 2HD2 LEU 91 2HD2 LEU 91 2.037 4.982 -11.667 736 3HD2 LEU 91 1HD2 LEU 91 2.792 4.430 -10.192 737 H VAL 92 H VAL 92 0.673 6.623 -13.322 738 HA VAL 92 HA VAL 92 1.466 4.027 -14.148 739 HB VAL 92 HB VAL 92 -1.432 4.851 -14.126 740 1HG1 VAL 92 1HG1 VAL 92 -0.047 2.444 -14.334 741 2HG1 VAL 92 3HG1 VAL 92 -0.450 2.512 -12.644 742 3HG1 VAL 92 2HG1 VAL 92 -1.753 2.712 -13.866 743 1HG2 VAL 92 2HG2 VAL 92 0.061 4.441 -11.461 744 2HG2 VAL 92 1HG2 VAL 92 -1.149 5.665 -11.841 745 3HG2 VAL 92 3HG2 VAL 92 -1.623 4.064 -11.703 746 H GLN 93 H GLN 93 0.894 6.886 -15.763 747 HA GLN 93 HA GLN 93 -0.507 5.854 -18.095 748 1HB GLN 93 2HB GLN 93 -0.778 7.972 -18.837 749 2HB GLN 93 1HB GLN 93 -0.613 8.265 -17.147 750 1HG GLN 93 2HG GLN 93 0.693 9.934 -18.114 751 2HG GLN 93 1HG GLN 93 1.887 8.764 -17.601 752 1HE2 GLN 93 2HE2 GLN 93 3.043 9.694 -20.868 753 2HE2 GLN 93 1HE2 GLN 93 3.013 10.256 -19.240 754 H HIS 94 H HIS 94 2.670 7.024 -17.240 755 HA HIS 94 HA HIS 94 4.071 6.439 -19.608 756 1HB HIS 94 2HB HIS 94 4.903 7.970 -17.845 757 2HB HIS 94 1HB HIS 94 4.847 6.709 -16.643 758 HD1 HIS 94 HD1 HIS 94 7.356 7.080 -16.140 759 HD2 HIS 94 HD2 HIS 94 6.592 5.819 -20.071 760 HE1 HIS 94 HE1 HIS 94 9.560 6.363 -17.117 761 H TYR 95 H TYR 95 3.404 4.656 -16.653 762 HA TYR 95 HA TYR 95 4.888 2.304 -17.468 763 1HB TYR 95 2HB TYR 95 3.002 2.797 -15.150 764 2HB TYR 95 1HB TYR 95 3.913 1.326 -15.418 765 HD1 TYR 95 HD1 TYR 95 6.220 3.737 -16.546 766 HD2 TYR 95 HD2 TYR 95 4.295 2.388 -12.962 767 HE1 TYR 95 HE1 TYR 95 8.024 4.555 -15.343 768 HE2 TYR 95 HE2 TYR 95 6.097 3.137 -11.670 769 HH TYR 95 HH TYR 95 9.094 3.519 -12.648 770 H SER 96 H SER 96 1.584 3.390 -17.929 771 HA SER 96 HA SER 96 0.600 0.732 -18.363 772 1HB SER 96 2HB SER 96 -0.216 3.310 -19.926 773 2HB SER 96 1HB SER 96 -1.085 1.869 -20.005 774 HG SER 96 HG SER 96 -1.280 2.875 -17.201 775 H LYS 97 H LYS 97 2.651 2.758 -20.215 776 HA LYS 97 HA LYS 97 2.577 0.991 -22.543 777 1HB LYS 97 2HB LYS 97 4.150 3.520 -21.797 778 2HB LYS 97 1HB LYS 97 4.514 2.641 -23.257 779 1HG LYS 97 2HG LYS 97 1.770 3.795 -22.594 780 2HG LYS 97 1HG LYS 97 2.975 4.571 -23.601 781 1HD LYS 97 2HD LYS 97 2.960 2.451 -25.064 782 2HD LYS 97 1HD LYS 97 1.574 1.928 -24.146 783 1HE LYS 97 1HE LYS 97 0.659 2.971 -26.102 784 2HE LYS 97 2HE LYS 97 0.414 4.138 -24.806 785 1HZ LYS 97 1HZ LYS 97 2.468 5.215 -25.541 786 2HZ LYS 97 3HZ LYS 97 2.530 4.145 -26.854 787 3HZ LYS 97 2HZ LYS 97 1.226 5.225 -26.697 788 H LYS 98 H LYS 98 5.172 2.250 -20.622 789 HA LYS 98 HA LYS 98 6.433 -0.443 -20.298 790 1HB LYS 98 2HB LYS 98 8.461 0.050 -21.190 791 2HB LYS 98 1HB LYS 98 7.282 0.597 -22.330 792 1HG LYS 98 2HG LYS 98 8.406 2.566 -22.323 793 2HG LYS 98 1HG LYS 98 7.474 2.824 -20.855 794 1HD LYS 98 2HD LYS 98 9.883 3.389 -20.579 795 2HD LYS 98 1HD LYS 98 9.275 2.199 -19.459 796 1HE LYS 98 1HE LYS 98 10.423 0.412 -20.449 797 2HE LYS 98 2HE LYS 98 10.640 1.246 -21.990 798 1HZ LYS 98 2HZ LYS 98 11.911 2.113 -19.481 799 2HZ LYS 98 1HZ LYS 98 12.658 1.119 -20.650 800 3HZ LYS 98 3HZ LYS 98 12.182 2.708 -21.024 801 H GLY 99 H GLY 99 7.230 -0.805 -18.609 802 1HA GLY 99 2HA GLY 99 6.583 0.431 -16.152 803 2HA GLY 99 1HA GLY 99 7.724 -0.929 -16.394 804 H ASP 100 H ASP 100 9.412 0.749 -18.096 805 HA ASP 100 HA ASP 100 11.449 1.689 -17.825 806 1HB ASP 100 2HB ASP 100 9.622 3.582 -17.863 807 2HB ASP 100 1HB ASP 100 10.043 3.870 -16.194 808 H GLY 101 H GLY 101 11.447 -0.211 -16.206 809 1HA GLY 101 2HA GLY 101 13.371 -0.663 -14.680 810 2HA GLY 101 1HA GLY 101 12.894 0.786 -13.730 811 H LEU 102 H LEU 102 10.016 -0.254 -14.249 812 HA LEU 102 HA LEU 102 9.571 -1.438 -11.743 813 1HB LEU 102 2HB LEU 102 8.047 -1.086 -14.322 814 2HB LEU 102 1HB LEU 102 7.313 -2.149 -13.265 815 HG LEU 102 HG LEU 102 7.388 0.740 -13.258 816 1HD1 LEU 102 3HD1 LEU 102 5.351 -0.604 -13.382 817 2HD1 LEU 102 2HD1 LEU 102 5.606 -1.201 -11.748 818 3HD1 LEU 102 1HD1 LEU 102 5.287 0.503 -11.999 819 1HD2 LEU 102 3HD2 LEU 102 8.933 0.523 -11.236 820 2HD2 LEU 102 2HD2 LEU 102 7.369 1.213 -10.829 821 3HD2 LEU 102 1HD2 LEU 102 7.683 -0.456 -10.478 822 H CYS 103 H CYS 103 10.723 -2.911 -14.608 823 HA CYS 103 HA CYS 103 11.614 -4.900 -14.968 824 1HB CYS 103 2HB CYS 103 11.783 -6.679 -13.466 825 2HB CYS 103 1HB CYS 103 11.707 -5.288 -12.424 826 HG CYS 103 HG CYS 103 9.200 -7.617 -12.973 827 H GLN 104 H GLN 104 8.322 -4.707 -14.012 828 HA GLN 104 HA GLN 104 7.246 -5.848 -16.412 829 1HB GLN 104 2HB GLN 104 6.608 -6.778 -13.517 830 2HB GLN 104 1HB GLN 104 5.518 -7.083 -14.839 831 1HG GLN 104 2HG GLN 104 8.371 -8.200 -14.635 832 2HG GLN 104 1HG GLN 104 6.903 -9.078 -14.279 833 1HE2 GLN 104 2HE2 GLN 104 8.325 -8.979 -18.010 834 2HE2 GLN 104 1HE2 GLN 104 9.190 -8.498 -16.593 835 H LYS 105 H LYS 105 6.443 -4.241 -17.011 836 HA LYS 105 HA LYS 105 5.793 -1.861 -15.777 837 1HB LYS 105 2HB LYS 105 4.951 -1.212 -17.891 838 2HB LYS 105 1HB LYS 105 6.075 -2.512 -18.251 839 1HG LYS 105 2HG LYS 105 3.185 -3.386 -17.962 840 2HG LYS 105 1HG LYS 105 3.482 -2.276 -19.250 841 1HD LYS 105 2HD LYS 105 5.244 -4.695 -18.884 842 2HD LYS 105 1HD LYS 105 3.689 -4.848 -19.667 843 1HE LYS 105 1HE LYS 105 5.726 -2.776 -20.577 844 2HE LYS 105 2HE LYS 105 5.710 -4.457 -21.159 845 1HZ LYS 105 1HZ LYS 105 3.400 -4.086 -21.828 846 2HZ LYS 105 3HZ LYS 105 3.631 -2.428 -21.508 847 3HZ LYS 105 2HZ LYS 105 4.567 -3.196 -22.690 848 H LEU 106 H LEU 106 3.343 -1.116 -16.643 849 HA LEU 106 HA LEU 106 1.500 -2.546 -14.805 850 1HB LEU 106 2HB LEU 106 1.760 0.390 -15.651 851 2HB LEU 106 1HB LEU 106 0.460 -0.152 -14.697 852 HG LEU 106 HG LEU 106 3.374 -0.001 -13.961 853 1HD1 LEU 106 2HD1 LEU 106 1.885 1.923 -13.516 854 2HD1 LEU 106 1HD1 LEU 106 0.914 0.898 -12.452 855 3HD1 LEU 106 3HD1 LEU 106 2.580 1.271 -12.033 856 1HD2 LEU 106 3HD2 LEU 106 1.400 -1.662 -12.325 857 2HD2 LEU 106 2HD2 LEU 106 2.840 -2.266 -13.122 858 3HD2 LEU 106 1HD2 LEU 106 2.979 -1.149 -11.791 859 H THR 107 H THR 107 -0.411 -3.241 -15.477 860 HA THR 107 HA THR 107 -1.134 -2.738 -18.305 861 HB THR 107 HB THR 107 -1.605 -4.919 -18.803 862 HG1 THR 107 HG1 THR 107 -1.472 -5.932 -16.036 863 1HG2 THR 107 3HG2 THR 107 0.725 -4.359 -19.106 864 2HG2 THR 107 2HG2 THR 107 1.198 -4.804 -17.513 865 3HG2 THR 107 1HG2 THR 107 0.671 -6.042 -18.641 866 H LEU 108 H LEU 108 -2.471 -4.639 -15.658 867 HA LEU 108 HA LEU 108 -5.052 -3.114 -16.019 868 1HB LEU 108 2HB LEU 108 -4.551 -5.930 -14.922 869 2HB LEU 108 1HB LEU 108 -6.112 -5.235 -15.123 870 HG LEU 108 HG LEU 108 -4.309 -5.367 -17.547 871 1HD1 LEU 108 1HD1 LEU 108 -4.243 -7.647 -16.590 872 2HD1 LEU 108 3HD1 LEU 108 -6.004 -7.707 -16.651 873 3HD1 LEU 108 2HD1 LEU 108 -5.056 -7.546 -18.138 874 1HD2 LEU 108 2HD2 LEU 108 -6.410 -4.081 -17.697 875 2HD2 LEU 108 1HD2 LEU 108 -6.422 -5.483 -18.753 876 3HD2 LEU 108 3HD2 LEU 108 -7.333 -5.515 -17.239 877 HA PRO 109 HA PRO 109 -4.578 -2.191 -11.629 878 1HB PRO 109 2HB PRO 109 -6.950 -1.221 -10.926 879 2HB PRO 109 1HB PRO 109 -6.071 -0.578 -12.313 880 1HG PRO 109 2HG PRO 109 -8.462 -2.331 -12.437 881 2HG PRO 109 1HG PRO 109 -8.023 -1.024 -13.514 882 1HD PRO 109 1HD PRO 109 -7.431 -3.822 -13.967 883 2HD PRO 109 2HD PRO 109 -6.842 -2.449 -14.925 884 H CYS 110 H CYS 110 -5.892 -4.998 -12.468 885 HA CYS 110 HA CYS 110 -6.042 -6.906 -11.419 886 1HB CYS 110 2HB CYS 110 -4.866 -5.994 -9.408 887 2HB CYS 110 1HB CYS 110 -6.389 -5.578 -8.681 888 HG CYS 110 HG CYS 110 -5.418 -7.977 -7.507 889 H VAL 111 H VAL 111 -7.679 -8.314 -10.612 890 HA VAL 111 HA VAL 111 -10.115 -7.803 -11.843 891 HB VAL 111 HB VAL 111 -9.121 -9.996 -11.450 892 1HG1 VAL 111 3HG1 VAL 111 -8.386 -9.739 -9.069 893 2HG1 VAL 111 2HG1 VAL 111 -10.062 -9.877 -8.554 894 3HG1 VAL 111 1HG1 VAL 111 -9.278 -11.223 -9.360 895 1HG2 VAL 111 3HG2 VAL 111 -11.979 -9.739 -10.425 896 2HG2 VAL 111 2HG2 VAL 111 -11.476 -9.893 -12.101 897 3HG2 VAL 111 1HG2 VAL 111 -11.243 -11.236 -10.989 898 H ASN 112 H ASN 112 -11.682 -6.598 -11.338 899 HA ASN 112 HA ASN 112 -12.061 -5.356 -8.720 900 1HB ASN 112 2HB ASN 112 -13.590 -5.070 -11.369 901 2HB ASN 112 1HB ASN 112 -13.750 -3.998 -9.988 902 1HD2 ASN 112 2HD2 ASN 112 -11.038 -1.999 -10.733 903 2HD2 ASN 112 1HD2 ASN 112 -12.423 -2.323 -9.760 904 H LEU 113 H LEU 113 -13.448 -7.960 -10.538 905 HA LEU 113 HA LEU 113 -15.138 -9.370 -10.177 906 1HB LEU 113 2HB LEU 113 -15.260 -8.285 -7.291 907 2HB LEU 113 1HB LEU 113 -16.140 -9.649 -7.872 908 HG LEU 113 HG LEU 113 -14.335 -10.453 -6.646 909 1HD1 LEU 113 1HD1 LEU 113 -14.839 -11.800 -8.628 910 2HD1 LEU 113 3HD1 LEU 113 -13.630 -10.935 -9.568 911 3HD1 LEU 113 2HD1 LEU 113 -13.135 -11.925 -8.204 912 1HD2 LEU 113 1HD2 LEU 113 -12.834 -8.439 -6.776 913 2HD2 LEU 113 3HD2 LEU 113 -11.977 -9.965 -6.968 914 3HD2 LEU 113 2HD2 LEU 113 -12.309 -8.973 -8.371 915 H ALA 114 HN ALA 114 -15.486 -6.745 -11.197 916 HA ALA 114 HA ALA 114 -18.364 -6.662 -11.279 917 1HB ALA 114 1HB ALA 114 -17.934 -5.289 -9.202 918 2HB ALA 114 3HB ALA 114 -16.816 -4.268 -10.095 919 3HB ALA 114 2HB ALA 114 -18.537 -4.250 -10.485 No H/Q in entry = 919 Start of MODEL 10 1 1H GLY 1 2H GLY 1 -22.924 4.944 -23.031 2 2H GLY 1 1H GLY 1 -23.395 5.309 -21.445 3 3H GLY 1 3H GLY 1 -24.360 5.808 -22.751 4 1HA GLY 1 2HA GLY 1 -22.649 7.246 -23.536 5 2HA GLY 1 1HA GLY 1 -23.136 7.632 -21.844 6 H SER 2 H SER 2 -21.113 8.786 -21.971 7 HA SER 2 HA SER 2 -18.642 7.215 -21.862 8 1HB SER 2 2HB SER 2 -18.776 10.200 -21.185 9 2HB SER 2 1HB SER 2 -17.553 9.339 -21.957 10 HG SER 2 HG SER 2 -19.905 9.504 -23.816 11 H VAL 3 H VAL 3 -17.753 6.473 -20.103 12 HA VAL 3 HA VAL 3 -19.018 6.886 -17.537 13 HB VAL 3 HB VAL 3 -17.247 5.370 -16.669 14 1HG1 VAL 3 1HG1 VAL 3 -19.336 4.433 -17.583 15 2HG1 VAL 3 3HG1 VAL 3 -18.609 4.323 -19.185 16 3HG1 VAL 3 2HG1 VAL 3 -17.977 3.351 -17.860 17 1HG2 VAL 3 3HG2 VAL 3 -15.342 6.006 -18.166 18 2HG2 VAL 3 2HG2 VAL 3 -15.644 4.278 -18.211 19 3HG2 VAL 3 1HG2 VAL 3 -16.179 5.292 -19.544 20 H ALA 4 H ALA 4 -18.224 7.755 -15.734 21 HA ALA 4 HA ALA 4 -15.729 9.138 -15.554 22 1HB ALA 4 1HB ALA 4 -16.843 10.829 -16.987 23 2HB ALA 4 3HB ALA 4 -18.142 11.027 -15.828 24 3HB ALA 4 2HB ALA 4 -16.505 11.481 -15.394 25 HA PRO 5 HA PRO 5 -18.215 9.558 -11.473 26 1HB PRO 5 2HB PRO 5 -20.677 7.904 -11.793 27 2HB PRO 5 1HB PRO 5 -20.535 9.549 -11.181 28 1HG PRO 5 2HG PRO 5 -21.657 9.054 -13.615 29 2HG PRO 5 1HG PRO 5 -20.690 10.497 -13.310 30 1HD PRO 5 1HD PRO 5 -19.782 7.960 -14.672 31 2HD PRO 5 2HD PRO 5 -19.517 9.641 -15.156 32 H VAL 6 H VAL 6 -17.418 6.894 -13.285 33 HA VAL 6 HA VAL 6 -17.977 4.738 -11.550 34 HB VAL 6 HB VAL 6 -16.370 3.473 -12.940 35 1HG1 VAL 6 3HG1 VAL 6 -18.750 3.702 -13.576 36 2HG1 VAL 6 2HG1 VAL 6 -18.374 5.136 -14.526 37 3HG1 VAL 6 1HG1 VAL 6 -17.717 3.573 -14.993 38 1HG2 VAL 6 1HG2 VAL 6 -15.878 6.147 -14.377 39 2HG2 VAL 6 3HG2 VAL 6 -14.662 5.116 -13.616 40 3HG2 VAL 6 2HG2 VAL 6 -15.488 4.573 -15.050 41 H GLU 7 H GLU 7 -14.809 6.325 -12.144 42 HA GLU 7 HA GLU 7 -13.005 6.638 -10.884 43 1HB GLU 7 2HB GLU 7 -14.660 7.905 -9.517 44 2HB GLU 7 1HB GLU 7 -14.991 6.507 -8.551 45 1HG GLU 7 2HG GLU 7 -13.512 8.140 -7.407 46 2HG GLU 7 1HG GLU 7 -12.764 6.580 -7.539 47 H THR 8 H THR 8 -11.464 5.812 -9.355 48 HA THR 8 HA THR 8 -11.365 2.908 -9.491 49 HB THR 8 HB THR 8 -9.035 3.168 -8.711 50 HG1 THR 8 HG1 THR 8 -9.534 6.062 -8.169 51 1HG2 THR 8 3HG2 THR 8 -9.793 4.895 -11.130 52 2HG2 THR 8 2HG2 THR 8 -8.141 4.439 -10.686 53 3HG2 THR 8 1HG2 THR 8 -9.338 3.219 -11.015 54 H LEU 9 H LEU 9 -13.174 4.380 -7.574 55 HA LEU 9 HA LEU 9 -12.170 4.004 -4.932 56 1HB LEU 9 2HB LEU 9 -13.915 5.671 -5.667 57 2HB LEU 9 1HB LEU 9 -15.020 4.369 -5.986 58 HG LEU 9 HG LEU 9 -14.823 3.719 -3.511 59 1HD1 LEU 9 1HD1 LEU 9 -13.435 6.433 -3.326 60 2HD1 LEU 9 3HD1 LEU 9 -14.027 5.502 -1.951 61 3HD1 LEU 9 2HD1 LEU 9 -12.716 4.874 -2.936 62 1HD2 LEU 9 3HD2 LEU 9 -16.782 4.939 -4.407 63 2HD2 LEU 9 2HD2 LEU 9 -16.398 5.506 -2.786 64 3HD2 LEU 9 1HD2 LEU 9 -15.949 6.479 -4.188 65 H GLU 10 H GLU 10 -14.515 2.293 -6.991 66 HA GLU 10 HA GLU 10 -14.114 -0.197 -5.403 67 1HB GLU 10 2HB GLU 10 -16.785 0.950 -6.385 68 2HB GLU 10 1HB GLU 10 -16.584 -0.674 -5.770 69 1HG GLU 10 2HG GLU 10 -15.779 0.270 -3.565 70 2HG GLU 10 1HG GLU 10 -16.069 1.889 -4.169 71 H VAL 11 H VAL 11 -14.304 -2.014 -6.490 72 HA VAL 11 HA VAL 11 -14.237 -3.561 -8.005 73 HB VAL 11 HB VAL 11 -15.116 -3.576 -10.121 74 1HG1 VAL 11 1HG1 VAL 11 -16.762 -3.465 -8.290 75 2HG1 VAL 11 3HG1 VAL 11 -16.895 -1.720 -8.494 76 3HG1 VAL 11 2HG1 VAL 11 -17.409 -2.798 -9.785 77 1HG2 VAL 11 2HG2 VAL 11 -14.113 -1.334 -10.994 78 2HG2 VAL 11 1HG2 VAL 11 -15.697 -1.810 -11.571 79 3HG2 VAL 11 3HG2 VAL 11 -15.573 -0.573 -10.356 80 H GLU 12 H GLU 12 -12.558 -0.624 -8.539 81 HA GLU 12 HA GLU 12 -10.517 -1.825 -10.282 82 1HB GLU 12 2HB GLU 12 -11.038 0.897 -9.054 83 2HB GLU 12 1HB GLU 12 -9.455 0.604 -9.694 84 1HG GLU 12 2HG GLU 12 -12.015 0.284 -11.350 85 2HG GLU 12 1HG GLU 12 -10.997 1.706 -11.374 86 H LYS 13 H LYS 13 -8.240 -1.541 -9.700 87 HA LYS 13 HA LYS 13 -7.744 -1.944 -6.766 88 1HB LYS 13 2HB LYS 13 -6.893 -3.776 -9.017 89 2HB LYS 13 1HB LYS 13 -6.206 -3.881 -7.420 90 1HG LYS 13 2HG LYS 13 -9.183 -4.164 -7.981 91 2HG LYS 13 1HG LYS 13 -8.080 -5.504 -7.897 92 1HD LYS 13 2HD LYS 13 -7.550 -4.939 -5.531 93 2HD LYS 13 1HD LYS 13 -8.684 -3.596 -5.596 94 1HE LYS 13 1HE LYS 13 -10.541 -5.138 -6.173 95 2HE LYS 13 2HE LYS 13 -9.402 -6.485 -6.188 96 1HZ LYS 13 1HZ LYS 13 -9.944 -4.854 -3.821 97 2HZ LYS 13 3HZ LYS 13 -10.781 -6.277 -4.226 98 3HZ LYS 13 2HZ LYS 13 -9.103 -6.338 -3.926 99 H TRP 14 H TRP 14 -6.705 -0.320 -9.720 100 HA TRP 14 HA TRP 14 -3.941 -0.581 -9.074 101 1HB TRP 14 2HB TRP 14 -3.225 0.920 -10.564 102 2HB TRP 14 1HB TRP 14 -4.701 0.403 -11.271 103 HD1 TRP 14 HD1 TRP 14 -6.045 2.255 -12.367 104 HE1 TRP 14 HE1 TRP 14 -5.916 4.791 -12.417 105 HE3 TRP 14 HE3 TRP 14 -2.818 3.035 -8.447 106 HZ2 TRP 14 HZ2 TRP 14 -4.406 6.918 -10.986 107 HZ3 TRP 14 HZ3 TRP 14 -2.197 5.344 -7.834 108 HH2 TRP 14 HH2 TRP 14 -3.083 7.243 -9.108 109 H PHE 15 H PHE 15 -6.453 1.563 -8.028 110 HA PHE 15 HA PHE 15 -4.648 2.654 -5.951 111 1HB PHE 15 2HB PHE 15 -5.899 4.196 -7.690 112 2HB PHE 15 1HB PHE 15 -7.345 3.833 -6.785 113 HD1 PHE 15 HD1 PHE 15 -3.765 4.693 -6.031 114 HD2 PHE 15 HD2 PHE 15 -7.893 5.466 -5.186 115 HE1 PHE 15 HE1 PHE 15 -3.121 6.409 -4.407 116 HE2 PHE 15 HE2 PHE 15 -7.230 7.212 -3.577 117 HZ PHE 15 HZ PHE 15 -4.838 7.698 -3.194 118 H PHE 16 H PHE 16 -5.039 2.483 -3.927 119 HA PHE 16 HA PHE 16 -7.600 1.653 -2.870 120 1HB PHE 16 2HB PHE 16 -5.299 -0.232 -3.121 121 2HB PHE 16 1HB PHE 16 -5.562 0.023 -1.440 122 HD1 PHE 16 HD1 PHE 16 -8.769 0.312 -1.779 123 HD2 PHE 16 HD2 PHE 16 -5.804 -2.551 -2.952 124 HE1 PHE 16 HE1 PHE 16 -10.476 -1.419 -1.873 125 HE2 PHE 16 HE2 PHE 16 -7.558 -4.282 -3.104 126 HZ PHE 16 HZ PHE 16 -9.894 -3.718 -2.526 127 H ARG 17 H ARG 17 -7.633 1.839 -0.461 128 HA ARG 17 HA ARG 17 -6.334 4.305 0.250 129 1HB ARG 17 2HB ARG 17 -7.820 2.185 1.900 130 2HB ARG 17 1HB ARG 17 -6.966 3.437 2.739 131 1HG ARG 17 2HG ARG 17 -9.250 3.897 0.802 132 2HG ARG 17 1HG ARG 17 -9.272 3.889 2.562 133 1HD ARG 17 2HD ARG 17 -7.744 5.865 2.630 134 2HD ARG 17 1HD ARG 17 -7.762 5.947 0.856 135 HE ARG 17 HE ARG 17 -10.407 5.899 1.547 136 1HH1 ARG 17 1HH2 ARG 17 -7.664 7.943 2.422 137 2HH1 ARG 17 2HH2 ARG 17 -8.638 9.346 2.707 138 1HH2 ARG 17 2HH1 ARG 17 -11.653 7.764 1.925 139 2HH2 ARG 17 1HH1 ARG 17 -10.903 9.242 2.418 140 H THR 18 H THR 18 -6.054 1.308 2.049 141 HA THR 18 HA THR 18 -3.235 1.039 1.727 142 HB THR 18 HB THR 18 -2.752 2.683 3.264 143 HG1 THR 18 HG1 THR 18 -2.900 0.313 5.035 144 1HG2 THR 18 2HG2 THR 18 -5.432 2.308 4.684 145 2HG2 THR 18 1HG2 THR 18 -4.123 3.409 5.202 146 3HG2 THR 18 3HG2 THR 18 -4.861 3.583 3.648 147 H ILE 19 H ILE 19 -4.180 -0.870 1.033 148 HA ILE 19 HA ILE 19 -5.319 -2.640 3.078 149 HB ILE 19 HB ILE 19 -5.668 -2.653 0.457 150 1HG1 ILE 19 1HG1 ILE 19 -5.397 -5.173 1.981 151 2HG1 ILE 19 2HG1 ILE 19 -6.817 -4.204 1.810 152 1HG2 ILE 19 3HG2 ILE 19 -3.133 -2.926 -0.013 153 2HG2 ILE 19 2HG2 ILE 19 -3.458 -4.629 0.326 154 3HG2 ILE 19 1HG2 ILE 19 -4.311 -3.809 -0.976 155 1HD1 ILE 19 1HD1 ILE 19 -6.790 -4.572 -0.689 156 2HD1 ILE 19 3HD1 ILE 19 -5.416 -5.652 -0.521 157 3HD1 ILE 19 2HD1 ILE 19 -6.979 -6.087 0.191 158 H SER 20 H SER 20 -4.122 -4.628 3.640 159 HA SER 20 HA SER 20 -1.371 -3.841 4.338 160 1HB SER 20 2HB SER 20 -2.102 -5.367 5.916 161 2HB SER 20 1HB SER 20 -3.038 -6.262 4.855 162 HG SER 20 HG SER 20 -0.269 -6.987 4.178 163 H ARG 21 H ARG 21 0.461 -4.877 3.681 164 HA ARG 21 HA ARG 21 0.780 -4.949 0.862 165 1HB ARG 21 2HB ARG 21 2.597 -4.584 2.694 166 2HB ARG 21 1HB ARG 21 2.734 -6.313 2.767 167 1HG ARG 21 2HG ARG 21 4.361 -5.921 1.237 168 2HG ARG 21 1HG ARG 21 3.049 -6.118 0.113 169 1HD ARG 21 2HD ARG 21 3.975 -3.374 1.161 170 2HD ARG 21 1HD ARG 21 4.629 -4.137 -0.281 171 HE ARG 21 HE ARG 21 1.710 -3.669 -0.083 172 1HH1 ARG 21 1HH2 ARG 21 4.812 -2.861 -1.550 173 2HH1 ARG 21 2HH2 ARG 21 4.105 -1.934 -2.828 174 1HH2 ARG 21 2HH1 ARG 21 0.817 -2.477 -1.765 175 2HH2 ARG 21 1HH1 ARG 21 1.819 -1.674 -2.927 176 H LYS 22 H LYS 22 0.692 -7.698 3.207 177 HA LYS 22 HA LYS 22 0.750 -9.661 1.186 178 1HB LYS 22 2HB LYS 22 0.249 -11.315 2.574 179 2HB LYS 22 1HB LYS 22 1.105 -10.210 3.601 180 1HG LYS 22 2HG LYS 22 -0.773 -11.566 4.566 181 2HG LYS 22 1HG LYS 22 -0.944 -9.918 4.958 182 1HD LYS 22 2HD LYS 22 -2.757 -9.672 3.484 183 2HD LYS 22 1HD LYS 22 -2.477 -11.241 2.714 184 1HE LYS 22 1HE LYS 22 -3.181 -12.376 4.786 185 2HE LYS 22 2HE LYS 22 -3.169 -10.855 5.673 186 1HZ LYS 22 3HZ LYS 22 -4.953 -10.063 4.333 187 2HZ LYS 22 2HZ LYS 22 -4.999 -11.512 3.467 188 3HZ LYS 22 1HZ LYS 22 -5.364 -11.507 5.126 189 H ASP 23 H ASP 23 -1.828 -7.658 2.175 190 HA ASP 23 HA ASP 23 -3.742 -9.517 1.234 191 1HB ASP 23 2HB ASP 23 -3.959 -6.540 2.022 192 2HB ASP 23 1HB ASP 23 -5.262 -7.232 1.135 193 H ALA 24 H ALA 24 -2.328 -6.672 0.086 194 HA ALA 24 HA ALA 24 -3.531 -6.418 -2.542 195 1HB ALA 24 2HB ALA 24 -0.989 -5.382 -1.220 196 2HB ALA 24 1HB ALA 24 -1.280 -5.040 -2.931 197 3HB ALA 24 3HB ALA 24 -2.468 -4.545 -1.718 198 H GLU 25 H GLU 25 -0.835 -8.239 -1.252 199 HA GLU 25 HA GLU 25 0.149 -9.166 -3.776 200 1HB GLU 25 2HB GLU 25 0.389 -10.269 -0.925 201 2HB GLU 25 1HB GLU 25 1.154 -11.051 -2.271 202 1HG GLU 25 2HG GLU 25 2.608 -9.154 -2.692 203 2HG GLU 25 1HG GLU 25 1.794 -8.140 -1.541 204 H ARG 26 H ARG 26 -2.320 -10.233 -1.438 205 HA ARG 26 HA ARG 26 -2.669 -12.823 -2.555 206 1HB ARG 26 2HB ARG 26 -4.410 -13.078 -1.003 207 2HB ARG 26 1HB ARG 26 -3.593 -11.695 -0.337 208 1HG ARG 26 2HG ARG 26 -5.518 -10.397 -1.851 209 2HG ARG 26 1HG ARG 26 -6.285 -11.883 -1.580 210 1HD ARG 26 2HD ARG 26 -5.378 -11.178 1.030 211 2HD ARG 26 1HD ARG 26 -5.846 -9.655 0.289 212 HE ARG 26 HE ARG 26 -8.022 -10.295 0.507 213 1HH1 ARG 26 1HH2 ARG 26 -6.003 -13.168 0.405 214 2HH1 ARG 26 2HH2 ARG 26 -7.295 -14.270 0.749 215 1HH2 ARG 26 2HH1 ARG 26 -9.718 -11.740 0.947 216 2HH2 ARG 26 1HH1 ARG 26 -9.430 -13.445 1.058 217 H GLN 27 H GLN 27 -3.895 -9.687 -3.235 218 HA GLN 27 HA GLN 27 -6.001 -10.341 -4.970 219 1HB GLN 27 2HB GLN 27 -4.409 -7.767 -4.857 220 2HB GLN 27 1HB GLN 27 -5.884 -7.935 -5.771 221 1HG GLN 27 2HG GLN 27 -5.686 -8.550 -2.832 222 2HG GLN 27 1HG GLN 27 -6.147 -6.953 -3.409 223 1HE2 GLN 27 2HE2 GLN 27 -8.900 -9.642 -2.646 224 2HE2 GLN 27 1HE2 GLN 27 -7.325 -9.489 -1.946 225 H LEU 28 H LEU 28 -2.594 -9.357 -5.647 226 HA LEU 28 HA LEU 28 -3.029 -9.559 -8.467 227 1HB LEU 28 2HB LEU 28 -0.493 -9.096 -6.913 228 2HB LEU 28 1HB LEU 28 -0.632 -8.926 -8.660 229 HG LEU 28 HG LEU 28 -2.305 -7.427 -6.657 230 1HD1 LEU 28 3HD1 LEU 28 0.111 -6.806 -6.601 231 2HD1 LEU 28 2HD1 LEU 28 0.031 -6.419 -8.318 232 3HD1 LEU 28 1HD1 LEU 28 -0.903 -5.483 -7.146 233 1HD2 LEU 28 2HD2 LEU 28 -2.267 -7.464 -9.675 234 2HD2 LEU 28 1HD2 LEU 28 -3.630 -7.501 -8.593 235 3HD2 LEU 28 3HD2 LEU 28 -2.768 -5.999 -8.850 236 H LEU 29 H LEU 29 -1.607 -11.679 -5.959 237 HA LEU 29 HA LEU 29 -0.478 -13.612 -7.628 238 1HB LEU 29 2HB LEU 29 -1.708 -13.679 -4.840 239 2HB LEU 29 1HB LEU 29 -1.025 -15.117 -5.524 240 HG LEU 29 HG LEU 29 0.639 -12.567 -5.357 241 1HD1 LEU 29 3HD1 LEU 29 -0.268 -13.117 -3.097 242 2HD1 LEU 29 2HD1 LEU 29 0.464 -14.705 -3.200 243 3HD1 LEU 29 1HD1 LEU 29 1.485 -13.261 -3.200 244 1HD2 LEU 29 2HD2 LEU 29 1.284 -14.810 -6.718 245 2HD2 LEU 29 1HD2 LEU 29 2.499 -14.044 -5.685 246 3HD2 LEU 29 3HD2 LEU 29 1.605 -15.460 -5.146 247 H ALA 30 H ALA 30 -3.841 -12.789 -6.973 248 HA ALA 30 HA ALA 30 -5.009 -15.296 -7.387 249 1HB ALA 30 1HB ALA 30 -6.194 -13.179 -6.590 250 2HB ALA 30 3HB ALA 30 -6.167 -12.575 -8.252 251 3HB ALA 30 2HB ALA 30 -7.059 -14.038 -7.859 252 HA PRO 31 HA PRO 31 -4.270 -16.035 -11.703 253 1HB PRO 31 2HB PRO 31 -6.280 -17.862 -12.265 254 2HB PRO 31 1HB PRO 31 -4.879 -18.211 -11.261 255 1HG PRO 31 2HG PRO 31 -7.609 -17.380 -10.312 256 2HG PRO 31 1HG PRO 31 -6.612 -18.715 -9.694 257 1HD PRO 31 1HD PRO 31 -6.714 -16.321 -8.430 258 2HD PRO 31 2HD PRO 31 -5.192 -17.248 -8.520 259 H MET 32 H MET 32 -6.722 -14.012 -10.693 260 HA MET 32 HA MET 32 -8.449 -13.854 -12.847 261 1HB MET 32 2HB MET 32 -7.496 -12.216 -10.479 262 2HB MET 32 1HB MET 32 -8.436 -11.402 -11.654 263 1HG MET 32 2HG MET 32 -10.052 -12.156 -10.113 264 2HG MET 32 1HG MET 32 -10.178 -13.274 -11.448 265 1HE MET 32 2HE MET 32 -10.586 -13.045 -8.101 266 2HE MET 32 1HE MET 32 -9.607 -14.190 -7.169 267 3HE MET 32 3HE MET 32 -8.901 -12.676 -7.815 268 H ASN 33 H ASN 33 -5.410 -12.308 -12.062 269 HA ASN 33 HA ASN 33 -5.199 -11.259 -14.839 270 1HB ASN 33 2HB ASN 33 -4.428 -9.646 -12.339 271 2HB ASN 33 1HB ASN 33 -4.335 -9.079 -14.009 272 1HD2 ASN 33 2HD2 ASN 33 -7.725 -8.266 -14.316 273 2HD2 ASN 33 1HD2 ASN 33 -6.265 -8.598 -15.171 274 H LYS 34 H LYS 34 -2.746 -9.977 -14.569 275 HA LYS 34 HA LYS 34 -0.809 -11.833 -13.538 276 1HB LYS 34 2HB LYS 34 0.189 -12.364 -15.826 277 2HB LYS 34 1HB LYS 34 -1.306 -13.133 -15.441 278 1HG LYS 34 2HG LYS 34 -1.491 -12.412 -17.711 279 2HG LYS 34 1HG LYS 34 -2.564 -11.409 -16.789 280 1HD LYS 34 2HD LYS 34 -1.429 -9.973 -18.322 281 2HD LYS 34 1HD LYS 34 -0.786 -9.622 -16.749 282 1HE LYS 34 1HE LYS 34 1.262 -10.935 -17.206 283 2HE LYS 34 2HE LYS 34 0.586 -11.514 -18.726 284 1HZ LYS 34 3HZ LYS 34 1.232 -8.723 -18.067 285 2HZ LYS 34 2HZ LYS 34 2.139 -9.775 -19.047 286 3HZ LYS 34 1HZ LYS 34 0.589 -9.290 -19.540 287 H ALA 35 H ALA 35 1.471 -11.162 -14.276 288 HA ALA 35 HA ALA 35 2.358 -8.918 -13.366 289 1HB ALA 35 3HB ALA 35 3.805 -10.609 -14.463 290 2HB ALA 35 2HB ALA 35 3.345 -10.007 -16.048 291 3HB ALA 35 1HB ALA 35 4.267 -8.990 -14.935 292 H GLY 36 H GLY 36 1.735 -6.924 -13.391 293 1HA GLY 36 2HA GLY 36 1.839 -4.878 -14.610 294 2HA GLY 36 1HA GLY 36 0.841 -5.603 -15.888 295 H SER 37 H SER 37 -0.839 -7.016 -13.943 296 HA SER 37 HA SER 37 -2.628 -5.029 -13.009 297 1HB SER 37 1HB SER 37 -3.502 -6.961 -11.500 298 2HB SER 37 2HB SER 37 -3.716 -7.216 -13.122 299 HG SER 37 HG SER 37 -1.230 -8.606 -12.583 300 H PHE 38 H PHE 38 -2.350 -3.663 -11.385 301 HA PHE 38 HA PHE 38 -0.338 -4.316 -9.268 302 1HB PHE 38 2HB PHE 38 -0.958 -1.649 -10.712 303 2HB PHE 38 1HB PHE 38 -0.114 -1.700 -9.209 304 HD1 PHE 38 HD2 PHE 38 0.803 -4.203 -11.846 305 HD2 PHE 38 HD1 PHE 38 1.623 -0.441 -10.059 306 HE1 PHE 38 HE2 PHE 38 2.931 -4.049 -13.047 307 HE2 PHE 38 HE1 PHE 38 3.841 -0.433 -11.028 308 HZ PHE 38 HZ PHE 38 4.505 -2.258 -12.596 309 H LEU 39 H LEU 39 -0.501 -2.816 -7.566 310 HA LEU 39 HA LEU 39 -3.048 -1.999 -6.290 311 1HB LEU 39 2HB LEU 39 -0.932 -3.965 -5.477 312 2HB LEU 39 1HB LEU 39 -1.455 -3.007 -4.179 313 HG LEU 39 HG LEU 39 -2.472 -5.280 -4.464 314 1HD1 LEU 39 3HD1 LEU 39 -3.207 -3.197 -3.123 315 2HD1 LEU 39 2HD1 LEU 39 -4.292 -2.849 -4.418 316 3HD1 LEU 39 1HD1 LEU 39 -4.537 -4.342 -3.466 317 1HD2 LEU 39 2HD2 LEU 39 -3.071 -5.277 -6.834 318 2HD2 LEU 39 1HD2 LEU 39 -4.413 -5.579 -5.729 319 3HD2 LEU 39 3HD2 LEU 39 -4.261 -3.997 -6.537 320 H ILE 40 H ILE 40 -2.658 0.192 -5.493 321 HA ILE 40 HA ILE 40 0.208 0.640 -4.641 322 HB ILE 40 HB ILE 40 -0.982 1.802 -6.876 323 1HG1 ILE 40 1HG1 ILE 40 0.752 3.743 -5.281 324 2HG1 ILE 40 2HG1 ILE 40 1.452 2.205 -5.688 325 1HG2 ILE 40 1HG2 ILE 40 -2.643 2.938 -5.402 326 2HG2 ILE 40 3HG2 ILE 40 -1.260 3.896 -4.756 327 3HG2 ILE 40 2HG2 ILE 40 -1.676 3.953 -6.454 328 1HD1 ILE 40 2HD1 ILE 40 0.946 2.531 -8.141 329 2HD1 ILE 40 1HD1 ILE 40 0.202 4.033 -7.827 330 3HD1 ILE 40 3HD1 ILE 40 1.923 3.837 -7.499 331 H ARG 41 H ARG 41 -0.305 -0.119 -2.542 332 HA ARG 41 HA ARG 41 -2.587 1.022 -1.130 333 1HB ARG 41 2HB ARG 41 -2.307 -0.743 0.327 334 2HB ARG 41 1HB ARG 41 -1.754 -1.420 -1.153 335 1HG ARG 41 2HG ARG 41 -0.210 -2.199 0.417 336 2HG ARG 41 1HG ARG 41 0.672 -0.878 -0.312 337 1HD ARG 41 2HD ARG 41 0.572 0.432 1.635 338 2HD ARG 41 1HD ARG 41 -0.997 -0.243 2.121 339 HE ARG 41 HE ARG 41 1.288 -2.078 2.249 340 1HH1 ARG 41 1HH2 ARG 41 -0.716 0.335 3.896 341 2HH1 ARG 41 2HH2 ARG 41 -0.233 -0.155 5.480 342 1HH2 ARG 41 2HH1 ARG 41 1.930 -2.657 4.395 343 2HH2 ARG 41 1HH1 ARG 41 1.262 -1.811 5.753 344 H GLU 42 H GLU 42 -2.450 2.473 0.656 345 HA GLU 42 HA GLU 42 0.014 3.982 0.589 346 1HB GLU 42 2HB GLU 42 -0.881 5.781 1.575 347 2HB GLU 42 1HB GLU 42 -2.299 5.090 0.849 348 1HG GLU 42 2HG GLU 42 -3.293 4.607 2.850 349 2HG GLU 42 1HG GLU 42 -1.801 4.523 3.785 350 H SER 43 H SER 43 1.095 4.758 2.466 351 HA SER 43 HA SER 43 1.641 2.553 4.371 352 1HB SER 43 2HB SER 43 3.752 3.686 3.698 353 2HB SER 43 1HB SER 43 3.017 5.106 3.411 354 HG SER 43 HG SER 43 2.977 4.856 6.340 355 H GLU 44 H GLU 44 -0.097 2.576 5.839 356 HA GLU 44 HA GLU 44 -1.506 4.940 6.300 357 1HB GLU 44 2HB GLU 44 -2.622 3.878 8.182 358 2HB GLU 44 1HB GLU 44 -2.679 2.985 6.728 359 1HG GLU 44 2HG GLU 44 -0.708 2.385 8.984 360 2HG GLU 44 1HG GLU 44 -2.309 1.687 8.874 361 H SER 45 H SER 45 1.519 4.007 7.569 362 HA SER 45 HA SER 45 1.383 5.446 10.074 363 1HB SER 45 2HB SER 45 3.731 4.806 10.307 364 2HB SER 45 1HB SER 45 2.739 3.490 9.921 365 HG SER 45 HG SER 45 3.995 4.371 7.376 366 H ASN 46 H ASN 46 2.052 6.605 6.711 367 HA ASN 46 HA ASN 46 3.325 8.975 7.960 368 1HB ASN 46 2HB ASN 46 4.730 9.124 6.027 369 2HB ASN 46 1HB ASN 46 4.722 7.444 6.068 370 1HD2 ASN 46 2HD2 ASN 46 2.290 7.284 3.373 371 2HD2 ASN 46 1HD2 ASN 46 2.525 6.605 4.916 372 H LYS 47 H LYS 47 3.177 10.754 6.188 373 HA LYS 47 HA LYS 47 0.404 11.207 5.470 374 1HB LYS 47 2HB LYS 47 1.097 13.651 5.382 375 2HB LYS 47 1HB LYS 47 1.103 12.883 6.953 376 1HG LYS 47 2HG LYS 47 3.593 12.657 5.400 377 2HG LYS 47 1HG LYS 47 3.230 14.270 5.968 378 1HD LYS 47 2HD LYS 47 3.572 13.725 8.212 379 2HD LYS 47 1HD LYS 47 2.812 12.168 8.033 380 1HE LYS 47 1HE LYS 47 5.175 11.846 8.570 381 2HE LYS 47 2HE LYS 47 4.802 11.229 6.969 382 1HZ LYS 47 2HZ LYS 47 5.688 13.225 6.022 383 2HZ LYS 47 1HZ LYS 47 6.103 13.804 7.564 384 3HZ LYS 47 3HZ LYS 47 6.834 12.391 6.955 385 H GLY 48 H GLY 48 0.488 9.869 3.526 386 1HA GLY 48 2HA GLY 48 0.082 10.411 1.230 387 2HA GLY 48 1HA GLY 48 1.404 11.596 1.249 388 H ALA 49 H ALA 49 2.469 8.876 2.649 389 HA ALA 49 HA ALA 49 4.049 8.157 0.212 390 1HB ALA 49 2HB ALA 49 5.215 8.115 2.761 391 2HB ALA 49 1HB ALA 49 4.561 6.509 2.777 392 3HB ALA 49 3HB ALA 49 5.684 7.008 1.505 393 H PHE 50 H PHE 50 3.760 6.393 -0.996 394 HA PHE 50 HA PHE 50 1.728 4.459 -0.055 395 1HB PHE 50 2HB PHE 50 1.926 5.922 -2.720 396 2HB PHE 50 1HB PHE 50 1.356 4.304 -2.760 397 HD1 PHE 50 HD2 PHE 50 0.810 7.500 -0.863 398 HD2 PHE 50 HD1 PHE 50 -0.911 3.994 -2.545 399 HE1 PHE 50 HE2 PHE 50 -1.419 8.408 -0.423 400 HE2 PHE 50 HE1 PHE 50 -3.169 4.893 -2.117 401 HZ PHE 50 HZ PHE 50 -3.426 7.123 -1.074 402 H SER 51 H SER 51 1.889 2.561 -1.878 403 HA SER 51 HA SER 51 4.586 1.678 -2.330 404 1HB SER 51 2HB SER 51 2.875 -0.054 -0.411 405 2HB SER 51 1HB SER 51 4.526 -0.260 -0.715 406 HG SER 51 HG SER 51 4.231 2.299 0.776 407 H LEU 52 H LEU 52 4.719 0.067 -3.829 408 HA LEU 52 HA LEU 52 2.038 -0.747 -4.917 409 1HB LEU 52 2HB LEU 52 3.476 1.157 -5.945 410 2HB LEU 52 1HB LEU 52 4.715 0.019 -6.285 411 HG LEU 52 HG LEU 52 3.371 -1.016 -8.022 412 1HD1 LEU 52 3HD1 LEU 52 1.168 0.424 -6.663 413 2HD1 LEU 52 2HD1 LEU 52 1.048 0.451 -8.393 414 3HD1 LEU 52 1HD1 LEU 52 1.159 -1.095 -7.568 415 1HD2 LEU 52 1HD2 LEU 52 3.358 2.061 -8.116 416 2HD2 LEU 52 3HD2 LEU 52 4.645 0.982 -8.651 417 3HD2 LEU 52 2HD2 LEU 52 3.111 1.056 -9.516 418 H SER 53 H SER 53 1.633 -2.644 -5.488 419 HA SER 53 HA SER 53 3.652 -4.844 -5.409 420 1HB SER 53 2HB SER 53 0.603 -5.168 -5.103 421 2HB SER 53 1HB SER 53 1.746 -6.335 -4.913 422 HG SER 53 HG SER 53 2.086 -4.423 -2.662 423 H VAL 54 H VAL 54 3.818 -6.113 -7.024 424 HA VAL 54 HA VAL 54 1.902 -5.864 -9.310 425 HB VAL 54 HB VAL 54 4.934 -5.758 -9.769 426 1HG1 VAL 54 3HG1 VAL 54 2.680 -5.738 -11.727 427 2HG1 VAL 54 2HG1 VAL 54 4.372 -5.255 -12.072 428 3HG1 VAL 54 1HG1 VAL 54 3.973 -6.864 -11.576 429 1HG2 VAL 54 1HG2 VAL 54 3.013 -3.473 -9.658 430 2HG2 VAL 54 3HG2 VAL 54 4.382 -3.748 -8.620 431 3HG2 VAL 54 2HG2 VAL 54 4.692 -3.436 -10.289 432 H LYS 55 H LYS 55 1.819 -7.863 -10.613 433 HA LYS 55 HA LYS 55 2.675 -10.138 -9.028 434 1HB LYS 55 2HB LYS 55 0.567 -9.917 -10.242 435 2HB LYS 55 1HB LYS 55 1.495 -9.735 -11.721 436 1HG LYS 55 2HG LYS 55 0.407 -11.806 -11.743 437 2HG LYS 55 1HG LYS 55 2.106 -12.119 -11.640 438 1HD LYS 55 2HD LYS 55 0.296 -12.100 -9.189 439 2HD LYS 55 1HD LYS 55 0.440 -13.526 -10.192 440 1HE LYS 55 1HE LYS 55 2.651 -12.142 -8.663 441 2HE LYS 55 2HE LYS 55 1.981 -13.705 -8.293 442 1HZ LYS 55 1HZ LYS 55 3.307 -13.114 -10.831 443 2HZ LYS 55 3HZ LYS 55 4.118 -13.697 -9.471 444 3HZ LYS 55 2HZ LYS 55 2.887 -14.630 -10.198 445 H ASP 56 H ASP 56 5.143 -10.612 -9.014 446 HA ASP 56 HA ASP 56 6.392 -10.502 -11.627 447 1HB ASP 56 2HB ASP 56 7.459 -10.620 -8.931 448 2HB ASP 56 1HB ASP 56 8.053 -11.982 -9.804 449 H ILE 57 H ILE 57 6.132 -11.847 -13.120 450 HA ILE 57 HA ILE 57 5.669 -14.703 -12.399 451 HB ILE 57 HB ILE 57 4.909 -13.301 -14.982 452 1HG1 ILE 57 1HG1 ILE 57 3.367 -13.922 -12.455 453 2HG1 ILE 57 2HG1 ILE 57 3.565 -12.373 -13.223 454 1HG2 ILE 57 2HG2 ILE 57 5.310 -15.789 -15.202 455 2HG2 ILE 57 1HG2 ILE 57 4.143 -16.074 -13.916 456 3HG2 ILE 57 3HG2 ILE 57 3.628 -15.386 -15.454 457 1HD1 ILE 57 3HD1 ILE 57 2.167 -13.348 -15.176 458 2HD1 ILE 57 2HD1 ILE 57 1.828 -14.702 -14.064 459 3HD1 ILE 57 1HD1 ILE 57 1.323 -13.069 -13.649 460 H THR 58 H THR 58 7.655 -14.718 -11.898 461 HA THR 58 HA THR 58 9.816 -14.737 -13.915 462 HB THR 58 HB THR 58 10.185 -13.387 -11.953 463 HG1 THR 58 HG1 THR 58 11.981 -15.752 -11.662 464 1HG2 THR 58 1HG2 THR 58 9.204 -15.670 -10.153 465 2HG2 THR 58 3HG2 THR 58 10.039 -14.227 -9.555 466 3HG2 THR 58 2HG2 THR 58 8.558 -14.090 -10.435 467 H THR 59 H THR 59 11.519 -16.454 -13.527 468 HA THR 59 HA THR 59 10.176 -18.987 -13.672 469 HB THR 59 HB THR 59 11.957 -18.774 -15.107 470 HG1 THR 59 HG1 THR 59 12.722 -20.919 -13.164 471 1HG2 THR 59 1HG2 THR 59 13.933 -18.012 -12.862 472 2HG2 THR 59 3HG2 THR 59 14.371 -18.445 -14.500 473 3HG2 THR 59 2HG2 THR 59 13.346 -17.096 -14.258 474 H GLN 60 H GLN 60 10.988 -17.216 -10.981 475 HA GLN 60 HA GLN 60 11.828 -19.466 -9.302 476 1HB GLN 60 2HB GLN 60 10.982 -16.625 -8.675 477 2HB GLN 60 1HB GLN 60 11.270 -17.757 -7.416 478 1HG GLN 60 2HG GLN 60 13.567 -17.933 -7.770 479 2HG GLN 60 1HG GLN 60 13.530 -17.457 -9.431 480 1HE2 GLN 60 2HE2 GLN 60 13.244 -13.936 -8.800 481 2HE2 GLN 60 1HE2 GLN 60 12.667 -15.164 -9.850 482 H GLY 61 H GLY 61 8.912 -17.748 -10.192 483 1HA GLY 61 2HA GLY 61 7.003 -19.492 -10.090 484 2HA GLY 61 1HA GLY 61 7.222 -19.248 -8.300 485 H GLU 62 H GLU 62 4.776 -18.660 -8.911 486 HA GLU 62 HA GLU 62 4.428 -16.022 -9.889 487 1HB GLU 62 2HB GLU 62 2.981 -18.279 -9.905 488 2HB GLU 62 1HB GLU 62 2.380 -17.718 -8.361 489 1HG GLU 62 2HG GLU 62 1.560 -15.647 -9.409 490 2HG GLU 62 1HG GLU 62 2.276 -16.119 -10.959 491 H VAL 63 H VAL 63 5.418 -14.486 -8.617 492 HA VAL 63 HA VAL 63 4.780 -14.324 -5.740 493 HB VAL 63 HB VAL 63 7.137 -15.088 -6.280 494 1HG1 VAL 63 1HG1 VAL 63 7.386 -14.133 -8.556 495 2HG1 VAL 63 3HG1 VAL 63 7.365 -12.515 -7.927 496 3HG1 VAL 63 2HG1 VAL 63 8.705 -13.587 -7.539 497 1HG2 VAL 63 1HG2 VAL 63 6.766 -13.593 -4.291 498 2HG2 VAL 63 3HG2 VAL 63 8.373 -13.416 -4.984 499 3HG2 VAL 63 2HG2 VAL 63 7.157 -12.192 -5.287 500 H VAL 64 H VAL 64 4.749 -11.962 -5.125 501 HA VAL 64 HA VAL 64 3.986 -10.235 -7.434 502 HB VAL 64 HB VAL 64 3.142 -10.546 -4.597 503 1HG1 VAL 64 3HG1 VAL 64 2.818 -7.965 -6.113 504 2HG1 VAL 64 2HG1 VAL 64 1.870 -8.452 -4.722 505 3HG1 VAL 64 1HG1 VAL 64 3.593 -8.126 -4.499 506 1HG2 VAL 64 3HG2 VAL 64 1.872 -11.417 -6.641 507 2HG2 VAL 64 2HG2 VAL 64 0.947 -10.311 -5.597 508 3HG2 VAL 64 1HG2 VAL 64 1.645 -9.718 -7.086 509 H LYS 65 H LYS 65 4.690 -7.775 -6.290 510 HA LYS 65 HA LYS 65 7.461 -7.904 -5.451 511 1HB LYS 65 2HB LYS 65 6.965 -5.737 -7.509 512 2HB LYS 65 1HB LYS 65 8.429 -6.041 -6.681 513 1HG LYS 65 2HG LYS 65 8.900 -7.200 -8.583 514 2HG LYS 65 1HG LYS 65 8.289 -8.487 -7.606 515 1HD LYS 65 2HD LYS 65 6.568 -8.798 -8.941 516 2HD LYS 65 1HD LYS 65 6.007 -7.236 -8.557 517 1HE LYS 65 1HE LYS 65 6.915 -6.184 -10.485 518 2HE LYS 65 2HE LYS 65 8.191 -7.368 -10.664 519 1HZ LYS 65 2HZ LYS 65 5.373 -7.797 -11.333 520 2HZ LYS 65 1HZ LYS 65 6.683 -7.493 -12.388 521 3HZ LYS 65 3HZ LYS 65 6.654 -8.914 -11.482 522 H HIS 66 H HIS 66 8.111 -5.453 -5.044 523 HA HIS 66 HA HIS 66 6.023 -3.960 -3.573 524 1HB HIS 66 2HB HIS 66 8.712 -4.934 -2.378 525 2HB HIS 66 1HB HIS 66 7.624 -3.826 -1.576 526 HD1 HIS 66 HD1 HIS 66 4.979 -5.429 -2.369 527 HD2 HIS 66 HD2 HIS 66 8.446 -7.045 -0.659 528 HE1 HIS 66 HE1 HIS 66 4.295 -7.543 -1.220 529 H TYR 67 H TYR 67 6.377 -1.842 -3.509 530 HA TYR 67 HA TYR 67 9.003 -0.602 -3.941 531 1HB TYR 67 2HB TYR 67 6.602 0.358 -5.624 532 2HB TYR 67 1HB TYR 67 8.202 0.996 -5.631 533 HD1 TYR 67 HD2 TYR 67 10.060 -0.191 -6.648 534 HD2 TYR 67 HD1 TYR 67 6.076 -1.685 -6.882 535 HE1 TYR 67 HE2 TYR 67 10.744 -1.621 -8.465 536 HE2 TYR 67 HE1 TYR 67 6.657 -3.154 -8.658 537 HH TYR 67 HH TYR 67 9.391 -4.198 -9.655 538 H LYS 68 H LYS 68 8.821 1.826 -3.399 539 HA LYS 68 HA LYS 68 6.447 2.430 -1.786 540 1HB LYS 68 2HB LYS 68 7.636 3.033 0.110 541 2HB LYS 68 1HB LYS 68 7.885 1.357 -0.332 542 1HG LYS 68 2HG LYS 68 9.846 3.568 -0.932 543 2HG LYS 68 1HG LYS 68 9.868 2.596 0.512 544 1HD LYS 68 2HD LYS 68 9.943 0.533 -1.115 545 2HD LYS 68 1HD LYS 68 10.430 1.690 -2.333 546 1HE LYS 68 1HE LYS 68 12.378 2.371 -0.936 547 2HE LYS 68 2HE LYS 68 11.860 1.259 0.327 548 1HZ LYS 68 1HZ LYS 68 12.182 -0.561 -1.174 549 2HZ LYS 68 3HZ LYS 68 12.676 0.501 -2.401 550 3HZ LYS 68 2HZ LYS 68 13.601 0.351 -0.987 551 H ILE 69 H ILE 69 5.615 3.830 -3.052 552 HA ILE 69 HA ILE 69 7.073 6.072 -4.115 553 HB ILE 69 HB ILE 69 4.516 6.939 -4.139 554 1HG1 ILE 69 1HG1 ILE 69 3.757 4.860 -3.096 555 2HG1 ILE 69 2HG1 ILE 69 2.862 5.464 -4.437 556 1HG2 ILE 69 3HG2 ILE 69 5.922 6.983 -6.084 557 2HG2 ILE 69 2HG2 ILE 69 5.380 5.329 -6.467 558 3HG2 ILE 69 1HG2 ILE 69 4.215 6.645 -6.303 559 1HD1 ILE 69 2HD1 ILE 69 4.732 3.079 -4.701 560 2HD1 ILE 69 1HD1 ILE 69 2.974 3.043 -4.542 561 3HD1 ILE 69 3HD1 ILE 69 3.691 3.759 -5.962 562 H ARG 70 H ARG 70 7.259 8.075 -3.457 563 HA ARG 70 HA ARG 70 6.675 8.617 -0.568 564 1HB ARG 70 2HB ARG 70 8.603 9.843 -2.559 565 2HB ARG 70 1HB ARG 70 8.295 10.493 -0.966 566 1HG ARG 70 2HG ARG 70 8.705 7.866 -0.279 567 2HG ARG 70 1HG ARG 70 9.755 7.986 -1.693 568 1HD ARG 70 2HD ARG 70 10.623 10.213 -0.636 569 2HD ARG 70 1HD ARG 70 9.793 9.668 0.830 570 HE ARG 70 HE ARG 70 12.308 8.774 -0.259 571 1HH1 ARG 70 1HH2 ARG 70 9.537 7.708 1.638 572 2HH1 ARG 70 2HH2 ARG 70 10.424 6.493 2.503 573 1HH2 ARG 70 2HH1 ARG 70 13.445 7.180 0.873 574 2HH2 ARG 70 1HH1 ARG 70 12.665 6.202 2.070 575 H SER 71 H SER 71 6.431 11.196 -0.331 576 HA SER 71 HA SER 71 4.506 12.097 -2.352 577 1HB SER 71 1HB SER 71 3.395 13.139 -0.120 578 2HB SER 71 2HB SER 71 2.976 11.627 -0.708 579 HG SER 71 HG SER 71 5.091 11.109 1.284 580 H LEU 72 H LEU 72 5.298 13.894 -3.260 581 HA LEU 72 HA LEU 72 6.853 15.764 -1.623 582 1HB LEU 72 2HB LEU 72 6.821 15.725 -4.642 583 2HB LEU 72 1HB LEU 72 8.071 16.254 -3.561 584 HG LEU 72 HG LEU 72 8.828 14.359 -4.484 585 1HD1 LEU 72 3HD1 LEU 72 8.373 14.389 -1.676 586 2HD1 LEU 72 2HD1 LEU 72 8.316 12.709 -2.206 587 3HD1 LEU 72 1HD1 LEU 72 9.710 13.750 -2.559 588 1HD2 LEU 72 3HD2 LEU 72 6.259 13.606 -5.023 589 2HD2 LEU 72 2HD2 LEU 72 7.630 12.593 -5.313 590 3HD2 LEU 72 1HD2 LEU 72 6.696 12.379 -3.837 591 H ASP 73 H ASP 73 6.378 17.650 -1.450 592 HA ASP 73 HA ASP 73 3.717 18.644 -1.850 593 1HB ASP 73 2HB ASP 73 4.730 20.886 -1.119 594 2HB ASP 73 1HB ASP 73 5.032 19.566 -0.005 595 H ASN 74 H ASN 74 6.647 18.845 -3.669 596 HA ASN 74 HA ASN 74 5.374 20.616 -5.681 597 1HB ASN 74 2HB ASN 74 7.748 21.269 -6.246 598 2HB ASN 74 1HB ASN 74 7.328 21.622 -4.583 599 1HD2 ASN 74 2HD2 ASN 74 10.633 20.311 -4.254 600 2HD2 ASN 74 1HD2 ASN 74 9.774 21.738 -4.709 601 H GLY 75 H GLY 75 5.866 17.474 -5.196 602 1HA GLY 75 2HA GLY 75 6.058 16.962 -8.109 603 2HA GLY 75 1HA GLY 75 7.378 16.298 -7.091 604 H GLY 76 H GLY 76 4.186 16.387 -5.802 605 1HA GLY 76 2HA GLY 76 2.557 14.852 -5.408 606 2HA GLY 76 1HA GLY 76 2.957 14.198 -7.007 607 H TYR 77 H TYR 77 4.635 12.555 -7.227 608 HA TYR 77 HA TYR 77 5.176 11.001 -4.816 609 1HB TYR 77 2HB TYR 77 3.682 9.688 -7.220 610 2HB TYR 77 1HB TYR 77 4.354 8.858 -5.856 611 HD1 TYR 77 HD2 TYR 77 1.775 11.259 -6.844 612 HD2 TYR 77 HD1 TYR 77 3.203 8.642 -3.851 613 HE1 TYR 77 HE2 TYR 77 -0.402 11.403 -5.821 614 HE2 TYR 77 HE1 TYR 77 1.171 8.804 -2.631 615 HH TYR 77 HH TYR 77 -1.656 9.319 -3.723 616 H TYR 78 H TYR 78 6.869 9.827 -4.957 617 HA TYR 78 HA TYR 78 8.029 9.319 -7.666 618 1HB TYR 78 2HB TYR 78 10.050 10.342 -7.442 619 2HB TYR 78 1HB TYR 78 9.025 11.474 -6.654 620 HD1 TYR 78 HD1 TYR 78 11.556 8.834 -6.123 621 HD2 TYR 78 HD2 TYR 78 9.402 12.034 -4.289 622 HE1 TYR 78 HE1 TYR 78 12.990 8.649 -4.280 623 HE2 TYR 78 HE2 TYR 78 10.848 11.976 -2.422 624 HH TYR 78 HH TYR 78 13.764 10.867 -2.240 625 H ILE 79 H ILE 79 9.114 7.589 -7.978 626 HA ILE 79 HA ILE 79 9.692 5.712 -5.744 627 HB ILE 79 HB ILE 79 9.222 3.892 -7.638 628 1HG1 ILE 79 1HG1 ILE 79 7.040 5.933 -7.974 629 2HG1 ILE 79 2HG1 ILE 79 8.230 5.519 -9.162 630 1HG2 ILE 79 1HG2 ILE 79 8.676 3.643 -5.302 631 2HG2 ILE 79 3HG2 ILE 79 7.160 4.501 -5.593 632 3HG2 ILE 79 2HG2 ILE 79 7.512 2.990 -6.432 633 1HD1 ILE 79 2HD1 ILE 79 7.255 3.071 -8.988 634 2HD1 ILE 79 1HD1 ILE 79 6.025 3.736 -7.950 635 3HD1 ILE 79 3HD1 ILE 79 6.117 4.311 -9.597 636 H SER 80 H SER 80 10.932 7.531 -7.930 637 HA SER 80 HA SER 80 13.556 6.442 -7.598 638 1HB SER 80 1HB SER 80 13.008 7.270 -10.474 639 2HB SER 80 2HB SER 80 14.156 6.209 -9.876 640 HG SER 80 HG SER 80 11.475 4.868 -9.767 641 HA PRO 81 HA PRO 81 13.207 10.854 -7.025 642 1HB PRO 81 2HB PRO 81 16.123 11.155 -6.826 643 2HB PRO 81 1HB PRO 81 14.849 11.328 -5.580 644 1HG PRO 81 2HG PRO 81 16.662 9.228 -5.584 645 2HG PRO 81 1HG PRO 81 15.049 9.143 -4.896 646 1HD PRO 81 1HD PRO 81 15.942 8.123 -7.556 647 2HD PRO 81 2HD PRO 81 14.828 7.400 -6.359 648 H ARG 82 H ARG 82 14.868 9.385 -9.558 649 HA ARG 82 HA ARG 82 15.388 11.752 -11.132 650 1HB ARG 82 2HB ARG 82 16.255 10.191 -12.798 651 2HB ARG 82 1HB ARG 82 16.922 9.962 -11.219 652 1HG ARG 82 2HG ARG 82 16.550 7.752 -11.699 653 2HG ARG 82 1HG ARG 82 14.980 8.090 -11.013 654 1HD ARG 82 2HD ARG 82 14.150 8.620 -13.297 655 2HD ARG 82 1HD ARG 82 15.692 8.094 -13.984 656 HE ARG 82 HE ARG 82 14.721 6.032 -12.297 657 1HH1 ARG 82 1HH2 ARG 82 13.852 7.646 -15.317 658 2HH1 ARG 82 2HH2 ARG 82 12.921 6.307 -15.906 659 1HH2 ARG 82 2HH1 ARG 82 13.496 4.290 -13.122 660 2HH2 ARG 82 1HH1 ARG 82 12.734 4.410 -14.674 661 H ILE 83 H ILE 83 12.739 9.493 -10.718 662 HA ILE 83 HA ILE 83 11.143 11.108 -12.582 663 HB ILE 83 HB ILE 83 9.800 9.187 -13.136 664 1HG1 ILE 83 1HG1 ILE 83 12.290 7.598 -12.453 665 2HG1 ILE 83 2HG1 ILE 83 10.910 7.684 -11.380 666 1HG2 ILE 83 3HG2 ILE 83 11.199 10.402 -14.706 667 2HG2 ILE 83 2HG2 ILE 83 12.602 9.459 -14.265 668 3HG2 ILE 83 1HG2 ILE 83 11.242 8.706 -15.103 669 1HD1 ILE 83 3HD1 ILE 83 10.597 6.933 -14.276 670 2HD1 ILE 83 2HD1 ILE 83 10.897 5.740 -13.029 671 3HD1 ILE 83 1HD1 ILE 83 9.430 6.806 -12.987 672 H THR 84 H THR 84 9.999 12.157 -11.638 673 HA THR 84 HA THR 84 8.405 11.448 -9.243 674 HB THR 84 HB THR 84 8.975 14.227 -10.318 675 HG1 THR 84 HG1 THR 84 11.348 12.763 -9.213 676 1HG2 THR 84 2HG2 THR 84 8.532 13.209 -7.533 677 2HG2 THR 84 1HG2 THR 84 9.213 14.820 -7.826 678 3HG2 THR 84 3HG2 THR 84 7.707 14.371 -8.558 679 H PHE 85 H PHE 85 6.400 12.563 -9.233 680 HA PHE 85 HA PHE 85 5.196 13.206 -11.889 681 1HB PHE 85 2HB PHE 85 4.196 10.782 -10.265 682 2HB PHE 85 1HB PHE 85 3.380 11.414 -11.666 683 HD1 PHE 85 HD2 PHE 85 6.321 9.561 -10.479 684 HD2 PHE 85 HD1 PHE 85 4.293 11.101 -13.917 685 HE1 PHE 85 HE2 PHE 85 7.757 8.188 -11.922 686 HE2 PHE 85 HE1 PHE 85 5.746 9.724 -15.371 687 HZ PHE 85 HZ PHE 85 7.501 8.286 -14.369 688 HA PRO 86 HA PRO 86 2.824 15.970 -9.330 689 1HB PRO 86 2HB PRO 86 0.553 16.385 -10.886 690 2HB PRO 86 1HB PRO 86 2.138 17.074 -11.208 691 1HG PRO 86 2HG PRO 86 0.931 14.629 -12.467 692 2HG PRO 86 1HG PRO 86 1.809 15.936 -13.274 693 1HD PRO 86 1HD PRO 86 3.037 13.576 -12.677 694 2HD PRO 86 2HD PRO 86 3.926 15.106 -12.564 695 H THR 87 H THR 87 1.583 12.902 -10.228 696 HA THR 87 HA THR 87 0.314 12.478 -7.712 697 HB THR 87 HB THR 87 -1.590 13.521 -8.683 698 HG1 THR 87 HG1 THR 87 -2.212 10.608 -8.600 699 1HG2 THR 87 2HG2 THR 87 -1.138 11.979 -11.245 700 2HG2 THR 87 1HG2 THR 87 -2.611 12.919 -10.868 701 3HG2 THR 87 3HG2 THR 87 -1.042 13.679 -10.887 702 H LEU 88 H LEU 88 -0.655 10.131 -7.793 703 HA LEU 88 HA LEU 88 1.317 8.498 -9.050 704 1HB LEU 88 2HB LEU 88 -1.408 7.612 -7.984 705 2HB LEU 88 1HB LEU 88 -0.196 6.531 -8.574 706 HG LEU 88 HG LEU 88 0.132 8.408 -6.264 707 1HD1 LEU 88 1HD1 LEU 88 -1.615 6.603 -5.976 708 2HD1 LEU 88 3HD1 LEU 88 -0.370 5.465 -6.458 709 3HD1 LEU 88 2HD1 LEU 88 -0.212 6.312 -4.910 710 1HD2 LEU 88 1HD2 LEU 88 1.798 6.030 -7.180 711 2HD2 LEU 88 3HD2 LEU 88 2.319 7.731 -7.218 712 3HD2 LEU 88 2HD2 LEU 88 2.035 6.918 -5.684 713 H GLN 89 H GLN 89 -1.802 9.834 -10.273 714 HA GLN 89 HA GLN 89 -2.176 7.506 -12.007 715 1HB GLN 89 2HB GLN 89 -3.882 8.496 -13.232 716 2HB GLN 89 1HB GLN 89 -4.064 8.756 -11.524 717 1HG GLN 89 2HG GLN 89 -4.749 10.725 -12.565 718 2HG GLN 89 1HG GLN 89 -3.276 10.880 -11.643 719 1HE2 GLN 89 2HE2 GLN 89 -2.394 10.686 -15.677 720 2HE2 GLN 89 1HE2 GLN 89 -2.975 9.369 -14.736 721 H ALA 90 H ALA 90 -0.423 10.477 -12.415 722 HA ALA 90 HA ALA 90 0.178 9.972 -15.179 723 1HB ALA 90 3HB ALA 90 1.710 11.715 -13.137 724 2HB ALA 90 2HB ALA 90 1.972 11.788 -14.881 725 3HB ALA 90 1HB ALA 90 0.433 12.280 -14.195 726 H LEU 91 H LEU 91 1.337 8.641 -12.314 727 HA LEU 91 HA LEU 91 3.869 7.648 -13.362 728 1HB LEU 91 2HB LEU 91 4.055 8.170 -11.152 729 2HB LEU 91 1HB LEU 91 2.432 7.916 -10.760 730 HG LEU 91 HG LEU 91 4.359 5.583 -11.150 731 1HD1 LEU 91 3HD1 LEU 91 3.745 7.238 -8.664 732 2HD1 LEU 91 2HD1 LEU 91 4.521 5.673 -8.605 733 3HD1 LEU 91 1HD1 LEU 91 5.328 7.024 -9.417 734 1HD2 LEU 91 3HD2 LEU 91 1.630 5.965 -9.786 735 2HD2 LEU 91 2HD2 LEU 91 2.055 4.823 -11.073 736 3HD2 LEU 91 1HD2 LEU 91 2.666 4.549 -9.472 737 H VAL 92 H VAL 92 0.529 6.548 -12.683 738 HA VAL 92 HA VAL 92 1.053 3.841 -13.400 739 HB VAL 92 HB VAL 92 -1.719 5.073 -13.266 740 1HG1 VAL 92 1HG1 VAL 92 -1.414 2.551 -13.501 741 2HG1 VAL 92 3HG1 VAL 92 -0.659 2.621 -11.853 742 3HG1 VAL 92 2HG1 VAL 92 -2.317 3.123 -12.082 743 1HG2 VAL 92 2HG2 VAL 92 0.135 5.267 -11.002 744 2HG2 VAL 92 1HG2 VAL 92 -1.498 5.858 -11.148 745 3HG2 VAL 92 3HG2 VAL 92 -1.142 4.259 -10.586 746 H GLN 93 H GLN 93 0.441 6.718 -15.119 747 HA GLN 93 HA GLN 93 -0.832 5.556 -17.477 748 1HB GLN 93 2HB GLN 93 -1.267 7.677 -18.218 749 2HB GLN 93 1HB GLN 93 -1.163 7.997 -16.511 750 1HG GLN 93 2HG GLN 93 1.207 8.792 -16.839 751 2HG GLN 93 1HG GLN 93 1.007 8.592 -18.566 752 1HE2 GLN 93 2HE2 GLN 93 0.427 12.101 -17.640 753 2HE2 GLN 93 1HE2 GLN 93 1.704 10.950 -17.449 754 H HIS 94 H HIS 94 2.177 7.095 -16.467 755 HA HIS 94 HA HIS 94 3.599 6.739 -18.874 756 1HB HIS 94 2HB HIS 94 4.097 8.267 -16.835 757 2HB HIS 94 1HB HIS 94 4.841 6.888 -16.047 758 HD1 HIS 94 HD1 HIS 94 7.329 7.380 -16.287 759 HD2 HIS 94 HD2 HIS 94 5.198 8.233 -19.805 760 HE1 HIS 94 HE1 HIS 94 9.006 8.169 -18.017 761 H TYR 95 H TYR 95 2.997 4.749 -16.062 762 HA TYR 95 HA TYR 95 4.846 2.659 -16.889 763 1HB TYR 95 2HB TYR 95 2.746 2.794 -14.676 764 2HB TYR 95 1HB TYR 95 3.721 1.381 -14.970 765 HD1 TYR 95 HD1 TYR 95 5.805 4.262 -15.705 766 HD2 TYR 95 HD2 TYR 95 4.141 1.969 -12.477 767 HE1 TYR 95 HE1 TYR 95 7.445 5.135 -14.327 768 HE2 TYR 95 HE2 TYR 95 5.809 2.790 -11.018 769 HH TYR 95 HH TYR 95 8.664 3.846 -11.812 770 H SER 96 H SER 96 1.504 3.459 -17.504 771 HA SER 96 HA SER 96 0.871 0.795 -18.497 772 1HB SER 96 2HB SER 96 -0.386 3.474 -19.448 773 2HB SER 96 1HB SER 96 -1.009 1.940 -19.734 774 HG SER 96 HG SER 96 -1.130 2.480 -16.783 775 H LYS 97 H LYS 97 2.993 3.017 -19.699 776 HA LYS 97 HA LYS 97 2.889 1.625 -22.339 777 1HB LYS 97 2HB LYS 97 4.227 4.172 -21.282 778 2HB LYS 97 1HB LYS 97 4.740 3.523 -22.808 779 1HG LYS 97 2HG LYS 97 3.072 5.373 -22.977 780 2HG LYS 97 1HG LYS 97 2.611 3.939 -23.842 781 1HD LYS 97 2HD LYS 97 0.885 3.389 -22.317 782 2HD LYS 97 1HD LYS 97 1.573 4.329 -21.023 783 1HE LYS 97 1HE LYS 97 0.501 5.725 -23.500 784 2HE LYS 97 2HE LYS 97 -0.549 5.243 -22.160 785 1HZ LYS 97 3HZ LYS 97 0.859 6.440 -20.659 786 2HZ LYS 97 2HZ LYS 97 1.811 6.975 -21.955 787 3HZ LYS 97 1HZ LYS 97 0.179 7.445 -21.856 788 H LYS 98 H LYS 98 5.390 2.065 -19.845 789 HA LYS 98 HA LYS 98 6.322 -0.546 -20.745 790 1HB LYS 98 2HB LYS 98 8.765 0.249 -21.213 791 2HB LYS 98 1HB LYS 98 7.539 0.231 -22.432 792 1HG LYS 98 2HG LYS 98 8.735 2.305 -22.526 793 2HG LYS 98 1HG LYS 98 7.038 2.523 -22.126 794 1HD LYS 98 2HD LYS 98 8.832 2.382 -19.787 795 2HD LYS 98 1HD LYS 98 9.200 3.717 -20.811 796 1HE LYS 98 1HE LYS 98 6.345 3.745 -20.600 797 2HE LYS 98 2HE LYS 98 6.958 3.426 -18.993 798 1HZ LYS 98 3HZ LYS 98 8.361 5.366 -19.240 799 2HZ LYS 98 2HZ LYS 98 7.745 5.638 -20.790 800 3HZ LYS 98 1HZ LYS 98 6.721 5.749 -19.437 801 H GLY 99 H GLY 99 5.605 1.017 -18.429 802 1HA GLY 99 2HA GLY 99 5.939 0.770 -16.090 803 2HA GLY 99 1HA GLY 99 7.219 -0.435 -16.481 804 H ASP 100 H ASP 100 8.275 1.796 -18.197 805 HA ASP 100 HA ASP 100 10.116 3.066 -18.281 806 1HB ASP 100 2HB ASP 100 8.104 4.579 -17.527 807 2HB ASP 100 1HB ASP 100 8.874 4.610 -15.994 808 H GLY 101 H GLY 101 10.289 0.867 -16.246 809 1HA GLY 101 2HA GLY 101 12.848 0.829 -15.527 810 2HA GLY 101 1HA GLY 101 12.326 2.120 -14.392 811 H LEU 102 H LEU 102 9.692 0.238 -14.387 812 HA LEU 102 HA LEU 102 10.400 -0.860 -11.829 813 1HB LEU 102 2HB LEU 102 7.983 -1.396 -13.634 814 2HB LEU 102 1HB LEU 102 8.162 -2.071 -12.038 815 HG LEU 102 HG LEU 102 7.887 0.849 -12.774 816 1HD1 LEU 102 3HD1 LEU 102 6.154 -1.169 -11.311 817 2HD1 LEU 102 2HD1 LEU 102 5.813 0.543 -11.312 818 3HD1 LEU 102 1HD1 LEU 102 5.790 -0.347 -12.837 819 1HD2 LEU 102 1HD2 LEU 102 8.376 -0.430 -10.060 820 2HD2 LEU 102 3HD2 LEU 102 9.403 0.790 -10.774 821 3HD2 LEU 102 2HD2 LEU 102 7.775 1.183 -10.180 822 H CYS 103 H CYS 103 8.931 -2.905 -14.283 823 HA CYS 103 HA CYS 103 11.135 -4.586 -14.810 824 1HB CYS 103 2HB CYS 103 10.380 -6.576 -13.267 825 2HB CYS 103 1HB CYS 103 11.172 -5.263 -12.461 826 HG CYS 103 HG CYS 103 8.704 -3.967 -11.704 827 H GLN 104 H GLN 104 7.662 -4.509 -14.096 828 HA GLN 104 HA GLN 104 7.042 -5.598 -16.731 829 1HB GLN 104 2HB GLN 104 5.945 -6.905 -14.147 830 2HB GLN 104 1HB GLN 104 5.224 -7.076 -15.712 831 1HG GLN 104 2HG GLN 104 6.501 -9.049 -15.471 832 2HG GLN 104 1HG GLN 104 7.462 -8.053 -16.561 833 1HE2 GLN 104 2HE2 GLN 104 10.069 -9.142 -14.490 834 2HE2 GLN 104 1HE2 GLN 104 9.226 -9.383 -15.980 835 H LYS 105 H LYS 105 6.299 -3.977 -17.342 836 HA LYS 105 HA LYS 105 4.855 -2.011 -16.135 837 1HB LYS 105 2HB LYS 105 4.645 -1.087 -18.306 838 2HB LYS 105 1HB LYS 105 6.136 -1.995 -18.170 839 1HG LYS 105 2HG LYS 105 5.185 -2.199 -20.386 840 2HG LYS 105 1HG LYS 105 5.210 -3.790 -19.615 841 1HD LYS 105 2HD LYS 105 3.228 -3.370 -20.942 842 2HD LYS 105 1HD LYS 105 2.729 -3.533 -19.286 843 1HE LYS 105 1HE LYS 105 2.448 -1.140 -19.026 844 2HE LYS 105 2HE LYS 105 3.367 -0.798 -20.500 845 1HZ LYS 105 2HZ LYS 105 1.624 -1.904 -21.759 846 2HZ LYS 105 1HZ LYS 105 0.772 -2.213 -20.320 847 3HZ LYS 105 3HZ LYS 105 0.991 -0.621 -20.847 848 H LEU 106 H LEU 106 2.861 -1.295 -16.454 849 HA LEU 106 HA LEU 106 0.922 -2.909 -15.291 850 1HB LEU 106 2HB LEU 106 0.665 -0.313 -16.860 851 2HB LEU 106 1HB LEU 106 -0.716 -0.915 -16.025 852 HG LEU 106 HG LEU 106 1.133 0.929 -15.078 853 1HD1 LEU 106 2HD1 LEU 106 -1.247 0.484 -14.203 854 2HD1 LEU 106 1HD1 LEU 106 -0.577 -0.832 -13.275 855 3HD1 LEU 106 3HD1 LEU 106 -0.042 0.816 -12.952 856 1HD2 LEU 106 2HD2 LEU 106 1.645 -1.670 -13.686 857 2HD2 LEU 106 1HD2 LEU 106 2.911 -0.794 -14.518 858 3HD2 LEU 106 3HD2 LEU 106 2.166 -0.097 -13.098 859 H THR 107 H THR 107 -1.091 -3.745 -15.968 860 HA THR 107 HA THR 107 -1.562 -3.862 -18.901 861 HB THR 107 HB THR 107 -1.967 -6.141 -19.044 862 HG1 THR 107 HG1 THR 107 -2.108 -6.599 -16.145 863 1HG2 THR 107 3HG2 THR 107 0.722 -5.530 -17.829 864 2HG2 THR 107 2HG2 THR 107 0.303 -7.096 -18.524 865 3HG2 THR 107 1HG2 THR 107 0.200 -5.613 -19.465 866 H LEU 108 H LEU 108 -2.953 -5.363 -16.057 867 HA LEU 108 HA LEU 108 -5.461 -3.838 -16.638 868 1HB LEU 108 2HB LEU 108 -5.441 -6.727 -15.807 869 2HB LEU 108 1HB LEU 108 -6.825 -5.824 -16.241 870 HG LEU 108 HG LEU 108 -4.643 -6.236 -18.303 871 1HD1 LEU 108 3HD1 LEU 108 -6.816 -8.243 -17.669 872 2HD1 LEU 108 2HD1 LEU 108 -5.747 -8.276 -19.074 873 3HD1 LEU 108 1HD1 LEU 108 -5.076 -8.460 -17.456 874 1HD2 LEU 108 3HD2 LEU 108 -6.474 -4.588 -18.746 875 2HD2 LEU 108 2HD2 LEU 108 -6.517 -5.944 -19.875 876 3HD2 LEU 108 1HD2 LEU 108 -7.664 -5.870 -18.537 877 HA PRO 109 HA PRO 109 -4.444 -3.418 -12.216 878 1HB PRO 109 2HB PRO 109 -6.081 -1.297 -11.636 879 2HB PRO 109 1HB PRO 109 -4.604 -1.151 -12.600 880 1HG PRO 109 2HG PRO 109 -7.418 -1.305 -13.625 881 2HG PRO 109 1HG PRO 109 -6.137 -0.203 -14.155 882 1HD PRO 109 1HD PRO 109 -6.755 -2.633 -15.482 883 2HD PRO 109 2HD PRO 109 -5.151 -1.870 -15.555 884 H CYS 110 H CYS 110 -5.116 -5.172 -11.646 885 HA CYS 110 HA CYS 110 -6.652 -6.980 -11.508 886 1HB CYS 110 2HB CYS 110 -5.046 -6.743 -9.854 887 2HB CYS 110 1HB CYS 110 -6.012 -5.734 -8.834 888 HG CYS 110 HG CYS 110 -7.853 -7.721 -8.103 889 H VAL 111 H VAL 111 -8.607 -7.890 -11.146 890 HA VAL 111 HA VAL 111 -10.893 -6.099 -11.165 891 HB VAL 111 HB VAL 111 -12.217 -8.284 -11.221 892 1HG1 VAL 111 1HG1 VAL 111 -11.732 -6.942 -13.215 893 2HG1 VAL 111 3HG1 VAL 111 -10.179 -7.748 -13.413 894 3HG1 VAL 111 2HG1 VAL 111 -11.675 -8.660 -13.592 895 1HG2 VAL 111 2HG2 VAL 111 -10.361 -9.811 -10.254 896 2HG2 VAL 111 1HG2 VAL 111 -11.028 -10.353 -11.783 897 3HG2 VAL 111 3HG2 VAL 111 -9.479 -9.536 -11.750 898 H ASN 112 H ASN 112 -11.645 -8.875 -9.272 899 HA ASN 112 HA ASN 112 -11.028 -7.587 -6.724 900 1HB ASN 112 2HB ASN 112 -13.114 -6.369 -7.547 901 2HB ASN 112 1HB ASN 112 -13.999 -7.879 -7.475 902 1HD2 ASN 112 2HD2 ASN 112 -14.772 -7.483 -4.130 903 2HD2 ASN 112 1HD2 ASN 112 -15.165 -8.113 -5.689 904 H LEU 113 H LEU 113 -13.356 -9.947 -8.058 905 HA LEU 113 HA LEU 113 -11.940 -12.110 -6.787 906 1HB LEU 113 2HB LEU 113 -13.296 -11.169 -4.882 907 2HB LEU 113 1HB LEU 113 -14.752 -11.388 -5.808 908 HG LEU 113 HG LEU 113 -14.404 -13.855 -5.794 909 1HD1 LEU 113 2HD1 LEU 113 -11.965 -13.265 -4.048 910 2HD1 LEU 113 1HD1 LEU 113 -12.669 -14.860 -4.303 911 3HD1 LEU 113 3HD1 LEU 113 -11.937 -14.006 -5.646 912 1HD2 LEU 113 2HD2 LEU 113 -15.751 -12.790 -4.001 913 2HD2 LEU 113 1HD2 LEU 113 -14.911 -14.214 -3.401 914 3HD2 LEU 113 3HD2 LEU 113 -14.306 -12.605 -3.009 915 H ALA 114 HN ALA 114 -12.401 -14.076 -7.599 916 HA ALA 114 HA ALA 114 -14.696 -14.500 -9.343 917 1HB ALA 114 3HB ALA 114 -12.996 -13.427 -10.880 918 2HB ALA 114 2HB ALA 114 -11.820 -14.662 -10.441 919 3HB ALA 114 1HB ALA 114 -13.273 -15.104 -11.335 No H/Q in entry = 919 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -21.317 9.976 -19.362 2 2H GLY 1 3H GLY 1 -20.928 8.756 -18.242 3 3H GLY 1 2H GLY 1 -22.253 9.783 -17.963 4 1HA GLY 1 2HA GLY 1 -20.441 10.408 -16.587 5 2HA GLY 1 1HA GLY 1 -19.421 10.584 -18.066 6 H SER 2 H SER 2 -19.473 12.617 -16.457 7 HA SER 2 HA SER 2 -20.407 14.794 -18.004 8 1HB SER 2 2HB SER 2 -22.181 15.702 -16.433 9 2HB SER 2 1HB SER 2 -22.689 14.338 -17.274 10 HG SER 2 HG SER 2 -21.755 13.377 -14.623 11 H VAL 3 H VAL 3 -20.245 13.772 -14.709 12 HA VAL 3 HA VAL 3 -17.817 14.895 -13.952 13 HB VAL 3 HB VAL 3 -18.787 17.073 -14.054 14 1HG1 VAL 3 3HG1 VAL 3 -21.226 16.155 -12.467 15 2HG1 VAL 3 2HG1 VAL 3 -20.850 17.803 -12.915 16 3HG1 VAL 3 1HG1 VAL 3 -21.182 16.637 -14.168 17 1HG2 VAL 3 3HG2 VAL 3 -17.429 16.638 -11.999 18 2HG2 VAL 3 2HG2 VAL 3 -18.620 17.915 -11.766 19 3HG2 VAL 3 1HG2 VAL 3 -18.911 16.315 -11.099 20 H ALA 4 H ALA 4 -21.070 14.259 -12.789 21 HA ALA 4 HA ALA 4 -21.953 12.725 -11.425 22 1HB ALA 4 3HB ALA 4 -20.309 11.068 -12.348 23 2HB ALA 4 2HB ALA 4 -19.180 11.466 -11.055 24 3HB ALA 4 1HB ALA 4 -20.719 10.722 -10.675 25 HA PRO 5 HA PRO 5 -21.473 14.779 -7.542 26 1HB PRO 5 2HB PRO 5 -23.046 13.241 -5.885 27 2HB PRO 5 1HB PRO 5 -23.701 14.171 -7.226 28 1HG PRO 5 2HG PRO 5 -23.044 11.233 -7.218 29 2HG PRO 5 1HG PRO 5 -24.520 12.002 -7.815 30 1HD PRO 5 1HD PRO 5 -22.485 11.291 -9.508 31 2HD PRO 5 2HD PRO 5 -23.486 12.724 -9.809 32 H VAL 6 H VAL 6 -19.968 11.843 -8.144 33 HA VAL 6 HA VAL 6 -18.265 12.151 -5.810 34 HB VAL 6 HB VAL 6 -20.085 10.635 -5.039 35 1HG1 VAL 6 2HG1 VAL 6 -20.726 9.577 -7.196 36 2HG1 VAL 6 1HG1 VAL 6 -19.207 8.680 -7.214 37 3HG1 VAL 6 3HG1 VAL 6 -20.395 8.376 -5.955 38 1HG2 VAL 6 3HG2 VAL 6 -17.785 10.364 -4.111 39 2HG2 VAL 6 2HG2 VAL 6 -18.669 8.842 -4.124 40 3HG2 VAL 6 1HG2 VAL 6 -17.431 9.146 -5.334 41 H GLU 7 H GLU 7 -16.280 11.334 -6.076 42 HA GLU 7 HA GLU 7 -15.475 10.878 -8.843 43 1HB GLU 7 2HB GLU 7 -13.707 11.061 -6.333 44 2HB GLU 7 1HB GLU 7 -13.191 11.296 -7.983 45 1HG GLU 7 2HG GLU 7 -14.996 13.142 -6.342 46 2HG GLU 7 1HG GLU 7 -13.374 13.464 -6.897 47 H THR 8 H THR 8 -13.024 9.435 -7.628 48 HA THR 8 HA THR 8 -13.978 6.781 -8.234 49 HB THR 8 HB THR 8 -11.669 6.100 -7.981 50 HG1 THR 8 HG1 THR 8 -11.004 8.614 -6.519 51 1HG2 THR 8 2HG2 THR 8 -11.910 8.725 -9.568 52 2HG2 THR 8 1HG2 THR 8 -10.582 7.566 -9.671 53 3HG2 THR 8 3HG2 THR 8 -12.218 7.080 -10.044 54 H LEU 9 H LEU 9 -14.472 5.184 -6.962 55 HA LEU 9 HA LEU 9 -14.467 5.594 -4.025 56 1HB LEU 9 2HB LEU 9 -15.889 3.690 -5.966 57 2HB LEU 9 1HB LEU 9 -15.851 3.324 -4.273 58 HG LEU 9 HG LEU 9 -16.968 5.443 -3.724 59 1HD1 LEU 9 2HD1 LEU 9 -17.073 5.919 -6.738 60 2HD1 LEU 9 1HD1 LEU 9 -18.083 6.763 -5.571 61 3HD1 LEU 9 3HD1 LEU 9 -16.347 6.962 -5.511 62 1HD2 LEU 9 3HD2 LEU 9 -18.288 3.369 -4.108 63 2HD2 LEU 9 2HD2 LEU 9 -19.200 4.799 -4.578 64 3HD2 LEU 9 1HD2 LEU 9 -18.458 3.784 -5.813 65 H GLU 10 H GLU 10 -14.185 3.177 -2.988 66 HA GLU 10 HA GLU 10 -11.387 2.545 -3.552 67 1HB GLU 10 2HB GLU 10 -13.287 1.337 -1.483 68 2HB GLU 10 1HB GLU 10 -11.577 1.046 -1.592 69 1HG GLU 10 2HG GLU 10 -11.793 2.686 0.102 70 2HG GLU 10 1HG GLU 10 -11.181 3.567 -1.279 71 H VAL 11 H VAL 11 -13.690 1.868 -5.464 72 HA VAL 11 HA VAL 11 -13.770 -1.010 -5.586 73 HB VAL 11 HB VAL 11 -15.670 0.357 -6.248 74 1HG1 VAL 11 2HG1 VAL 11 -14.446 2.385 -7.142 75 2HG1 VAL 11 1HG1 VAL 11 -14.086 1.479 -8.606 76 3HG1 VAL 11 3HG1 VAL 11 -15.748 1.828 -8.177 77 1HG2 VAL 11 3HG2 VAL 11 -15.343 -1.855 -7.390 78 2HG2 VAL 11 2HG2 VAL 11 -16.241 -0.711 -8.386 79 3HG2 VAL 11 1HG2 VAL 11 -14.543 -1.025 -8.726 80 H GLU 12 H GLU 12 -12.147 1.643 -7.215 81 HA GLU 12 HA GLU 12 -10.829 0.093 -9.217 82 1HB GLU 12 2HB GLU 12 -10.361 2.872 -8.032 83 2HB GLU 12 1HB GLU 12 -9.216 2.228 -9.171 84 1HG GLU 12 2HG GLU 12 -12.203 2.533 -9.752 85 2HG GLU 12 1HG GLU 12 -10.962 3.660 -10.274 86 H LYS 13 H LYS 13 -9.221 -1.126 -9.118 87 HA LYS 13 HA LYS 13 -8.038 -1.853 -6.593 88 1HB LYS 13 2HB LYS 13 -7.587 -2.745 -9.438 89 2HB LYS 13 1HB LYS 13 -6.574 -3.347 -8.149 90 1HG LYS 13 2HG LYS 13 -9.612 -3.535 -8.076 91 2HG LYS 13 1HG LYS 13 -8.605 -4.773 -8.776 92 1HD LYS 13 2HD LYS 13 -7.401 -5.110 -6.627 93 2HD LYS 13 1HD LYS 13 -8.313 -3.833 -5.881 94 1HE LYS 13 1HE LYS 13 -9.396 -6.476 -6.896 95 2HE LYS 13 2HE LYS 13 -9.294 -5.953 -5.213 96 1HZ LYS 13 1HZ LYS 13 -10.851 -4.190 -5.727 97 2HZ LYS 13 3HZ LYS 13 -10.979 -4.779 -7.311 98 3HZ LYS 13 2HZ LYS 13 -11.507 -5.734 -6.007 99 H TRP 14 H TRP 14 -6.805 -0.004 -9.481 100 HA TRP 14 HA TRP 14 -4.184 -0.203 -8.509 101 1HB TRP 14 2HB TRP 14 -3.242 1.128 -9.977 102 2HB TRP 14 1HB TRP 14 -4.607 0.499 -10.812 103 HD1 TRP 14 HD1 TRP 14 -5.902 2.193 -12.220 104 HE1 TRP 14 HE1 TRP 14 -5.729 4.724 -12.575 105 HE3 TRP 14 HE3 TRP 14 -2.999 3.405 -8.200 106 HZ2 TRP 14 HZ2 TRP 14 -4.343 6.977 -11.313 107 HZ3 TRP 14 HZ3 TRP 14 -2.382 5.745 -7.770 108 HH2 TRP 14 HH2 TRP 14 -3.096 7.520 -9.313 109 H PHE 15 H PHE 15 -6.709 2.116 -7.649 110 HA PHE 15 HA PHE 15 -4.780 3.205 -5.651 111 1HB PHE 15 2HB PHE 15 -5.804 4.759 -7.448 112 2HB PHE 15 1HB PHE 15 -7.300 4.653 -6.554 113 HD1 PHE 15 HD1 PHE 15 -3.623 5.069 -5.791 114 HD2 PHE 15 HD2 PHE 15 -7.638 6.407 -5.045 115 HE1 PHE 15 HE1 PHE 15 -2.787 6.809 -4.237 116 HE2 PHE 15 HE2 PHE 15 -6.778 8.130 -3.519 117 HZ PHE 15 HZ PHE 15 -4.351 8.333 -3.118 118 H PHE 16 H PHE 16 -5.067 1.374 -4.483 119 HA PHE 16 HA PHE 16 -7.550 1.134 -2.908 120 1HB PHE 16 2HB PHE 16 -5.261 -0.685 -3.667 121 2HB PHE 16 1HB PHE 16 -5.510 -0.737 -1.961 122 HD1 PHE 16 HD1 PHE 16 -8.337 -0.191 -4.358 123 HD2 PHE 16 HD2 PHE 16 -6.197 -3.020 -1.938 124 HE1 PHE 16 HE1 PHE 16 -10.198 -1.744 -4.558 125 HE2 PHE 16 HE2 PHE 16 -8.139 -4.571 -2.143 126 HZ PHE 16 HZ PHE 16 -10.104 -3.946 -3.430 127 H ARG 17 H ARG 17 -7.802 1.760 -0.898 128 HA ARG 17 HA ARG 17 -6.473 3.888 0.149 129 1HB ARG 17 2HB ARG 17 -8.134 1.684 1.409 130 2HB ARG 17 1HB ARG 17 -7.307 2.748 2.510 131 1HG ARG 17 2HG ARG 17 -8.308 4.708 1.520 132 2HG ARG 17 1HG ARG 17 -9.166 3.743 0.321 133 1HD ARG 17 2HD ARG 17 -10.388 2.560 2.172 134 2HD ARG 17 1HD ARG 17 -9.528 3.557 3.361 135 HE ARG 17 HE ARG 17 -10.561 5.494 1.892 136 1HH1 ARG 17 1HH2 ARG 17 -12.158 2.500 2.893 137 2HH1 ARG 17 2HH2 ARG 17 -13.739 3.207 2.874 138 1HH2 ARG 17 2HH1 ARG 17 -12.646 6.366 1.883 139 2HH2 ARG 17 1HH1 ARG 17 -14.010 5.390 2.307 140 H THR 18 H THR 18 -6.175 0.837 1.814 141 HA THR 18 HA THR 18 -3.382 0.548 1.680 142 HB THR 18 HB THR 18 -2.921 2.279 3.234 143 HG1 THR 18 HG1 THR 18 -3.027 -0.168 4.909 144 1HG2 THR 18 1HG2 THR 18 -5.601 1.814 4.595 145 2HG2 THR 18 3HG2 THR 18 -4.323 2.910 5.175 146 3HG2 THR 18 2HG2 THR 18 -5.028 3.134 3.600 147 H ILE 19 H ILE 19 -4.394 -1.400 1.096 148 HA ILE 19 HA ILE 19 -5.777 -2.957 3.130 149 HB ILE 19 HB ILE 19 -5.859 -3.089 0.523 150 1HG1 ILE 19 1HG1 ILE 19 -5.783 -5.574 2.153 151 2HG1 ILE 19 2HG1 ILE 19 -7.149 -4.616 1.707 152 1HG2 ILE 19 3HG2 ILE 19 -3.386 -3.204 0.200 153 2HG2 ILE 19 2HG2 ILE 19 -3.495 -4.897 0.741 154 3HG2 ILE 19 1HG2 ILE 19 -4.365 -4.352 -0.703 155 1HD1 ILE 19 2HD1 ILE 19 -6.648 -5.062 -0.750 156 2HD1 ILE 19 1HD1 ILE 19 -5.421 -6.195 -0.283 157 3HD1 ILE 19 3HD1 ILE 19 -7.112 -6.519 0.132 158 H SER 20 H SER 20 -4.755 -5.100 3.838 159 HA SER 20 HA SER 20 -2.183 -4.445 5.015 160 1HB SER 20 2HB SER 20 -3.458 -6.046 6.265 161 2HB SER 20 1HB SER 20 -3.903 -6.937 4.910 162 HG SER 20 HG SER 20 -1.029 -7.479 5.269 163 H ARG 21 H ARG 21 -0.289 -5.406 4.630 164 HA ARG 21 HA ARG 21 0.691 -5.418 2.016 165 1HB ARG 21 2HB ARG 21 2.155 -5.305 4.080 166 2HB ARG 21 1HB ARG 21 2.002 -7.020 4.290 167 1HG ARG 21 2HG ARG 21 2.927 -7.306 1.916 168 2HG ARG 21 1HG ARG 21 3.315 -5.604 1.944 169 1HD ARG 21 2HD ARG 21 4.844 -5.939 3.861 170 2HD ARG 21 1HD ARG 21 4.307 -7.624 4.027 171 HE ARG 21 HE ARG 21 5.183 -7.281 1.390 172 1HH1 ARG 21 1HH2 ARG 21 6.445 -7.224 4.668 173 2HH1 ARG 21 2HH2 ARG 21 8.038 -7.740 4.222 174 1HH2 ARG 21 2HH1 ARG 21 7.271 -7.960 0.806 175 2HH2 ARG 21 1HH1 ARG 21 8.510 -8.161 1.998 176 H LYS 22 H LYS 22 -0.015 -8.270 4.036 177 HA LYS 22 HA LYS 22 0.406 -10.184 1.989 178 1HB LYS 22 2HB LYS 22 -0.324 -11.776 3.389 179 2HB LYS 22 1HB LYS 22 0.155 -10.574 4.549 180 1HG LYS 22 2HG LYS 22 -1.901 -11.056 5.500 181 2HG LYS 22 1HG LYS 22 -2.601 -10.058 4.278 182 1HD LYS 22 2HD LYS 22 -3.816 -12.010 3.955 183 2HD LYS 22 1HD LYS 22 -2.564 -12.152 2.748 184 1HE LYS 22 1HE LYS 22 -2.694 -14.307 3.796 185 2HE LYS 22 2HE LYS 22 -1.229 -13.581 4.446 186 1HZ LYS 22 1HZ LYS 22 -2.508 -12.914 6.377 187 2HZ LYS 22 3HZ LYS 22 -3.867 -13.701 5.738 188 3HZ LYS 22 2HZ LYS 22 -2.484 -14.599 6.144 189 H ASP 23 H ASP 23 -2.321 -8.128 2.661 190 HA ASP 23 HA ASP 23 -4.130 -9.886 1.395 191 1HB ASP 23 2HB ASP 23 -4.353 -6.951 2.261 192 2HB ASP 23 1HB ASP 23 -5.646 -7.677 1.379 193 H ALA 24 H ALA 24 -2.606 -6.984 0.581 194 HA ALA 24 HA ALA 24 -3.585 -6.603 -2.115 195 1HB ALA 24 2HB ALA 24 -1.448 -5.479 -0.381 196 2HB ALA 24 1HB ALA 24 -1.021 -5.433 -2.096 197 3HB ALA 24 3HB ALA 24 -2.523 -4.688 -1.533 198 H GLU 25 H GLU 25 -1.010 -8.480 -0.705 199 HA GLU 25 HA GLU 25 0.157 -9.294 -3.227 200 1HB GLU 25 2HB GLU 25 0.433 -10.317 -0.360 201 2HB GLU 25 1HB GLU 25 1.240 -11.098 -1.695 202 1HG GLU 25 2HG GLU 25 2.470 -9.017 -2.241 203 2HG GLU 25 1HG GLU 25 1.672 -8.151 -0.960 204 H ARG 26 H ARG 26 -2.478 -10.423 -1.078 205 HA ARG 26 HA ARG 26 -2.604 -13.044 -2.208 206 1HB ARG 26 2HB ARG 26 -4.446 -13.403 -0.833 207 2HB ARG 26 1HB ARG 26 -3.722 -12.054 -0.032 208 1HG ARG 26 2HG ARG 26 -5.624 -10.765 -1.704 209 2HG ARG 26 1HG ARG 26 -6.296 -12.312 -1.425 210 1HD ARG 26 2HD ARG 26 -5.841 -11.616 1.178 211 2HD ARG 26 1HD ARG 26 -5.985 -9.999 0.430 212 HE ARG 26 HE ARG 26 -8.053 -11.657 -0.557 213 1HH1 ARG 26 1HH2 ARG 26 -7.026 -10.068 2.420 214 2HH1 ARG 26 2HH2 ARG 26 -8.638 -9.847 3.000 215 1HH2 ARG 26 2HH1 ARG 26 -10.160 -11.361 0.238 216 2HH2 ARG 26 1HH1 ARG 26 -10.409 -10.595 1.765 217 H GLN 27 H GLN 27 -3.930 -9.977 -2.920 218 HA GLN 27 HA GLN 27 -5.912 -10.774 -4.850 219 1HB GLN 27 2HB GLN 27 -4.573 -8.043 -4.500 220 2HB GLN 27 1HB GLN 27 -5.979 -8.339 -5.493 221 1HG GLN 27 2HG GLN 27 -7.222 -9.166 -3.430 222 2HG GLN 27 1HG GLN 27 -5.848 -8.691 -2.460 223 1HE2 GLN 27 2HE2 GLN 27 -6.253 -5.139 -3.282 224 2HE2 GLN 27 1HE2 GLN 27 -5.015 -6.345 -3.395 225 H LEU 28 H LEU 28 -2.548 -9.482 -5.213 226 HA LEU 28 HA LEU 28 -2.846 -9.649 -8.069 227 1HB LEU 28 2HB LEU 28 -0.483 -8.958 -6.328 228 2HB LEU 28 1HB LEU 28 -0.432 -8.838 -8.093 229 HG LEU 28 HG LEU 28 -2.425 -7.398 -6.354 230 1HD1 LEU 28 3HD1 LEU 28 0.290 -6.740 -7.538 231 2HD1 LEU 28 2HD1 LEU 28 -0.903 -5.479 -7.406 232 3HD1 LEU 28 1HD1 LEU 28 -0.431 -6.381 -5.948 233 1HD2 LEU 28 2HD2 LEU 28 -1.989 -7.778 -9.266 234 2HD2 LEU 28 1HD2 LEU 28 -3.510 -7.653 -8.430 235 3HD2 LEU 28 3HD2 LEU 28 -2.592 -6.189 -8.732 236 H LEU 29 H LEU 29 -1.397 -11.759 -5.553 237 HA LEU 29 HA LEU 29 -0.248 -13.591 -7.366 238 1HB LEU 29 2HB LEU 29 -1.285 -13.859 -4.527 239 2HB LEU 29 1HB LEU 29 -0.390 -15.120 -5.325 240 HG LEU 29 HG LEU 29 0.749 -12.289 -5.026 241 1HD1 LEU 29 3HD1 LEU 29 0.200 -13.271 -2.822 242 2HD1 LEU 29 2HD1 LEU 29 1.222 -14.657 -3.184 243 3HD1 LEU 29 1HD1 LEU 29 1.931 -13.038 -3.069 244 1HD2 LEU 29 3HD2 LEU 29 2.047 -15.008 -5.664 245 2HD2 LEU 29 2HD2 LEU 29 1.869 -13.655 -6.781 246 3HD2 LEU 29 1HD2 LEU 29 2.862 -13.479 -5.347 247 H ALA 30 H ALA 30 -3.548 -12.884 -6.667 248 HA ALA 30 HA ALA 30 -4.716 -15.414 -6.937 249 1HB ALA 30 1HB ALA 30 -5.897 -13.218 -6.304 250 2HB ALA 30 3HB ALA 30 -5.879 -12.768 -8.013 251 3HB ALA 30 2HB ALA 30 -6.779 -14.178 -7.482 252 HA PRO 31 HA PRO 31 -3.979 -16.428 -11.165 253 1HB PRO 31 2HB PRO 31 -6.084 -18.182 -11.680 254 2HB PRO 31 1HB PRO 31 -4.716 -18.557 -10.641 255 1HG PRO 31 2HG PRO 31 -7.409 -17.540 -9.773 256 2HG PRO 31 1HG PRO 31 -6.485 -18.884 -9.067 257 1HD PRO 31 1HD PRO 31 -6.500 -16.424 -7.939 258 2HD PRO 31 2HD PRO 31 -5.023 -17.423 -7.948 259 H MET 32 H MET 32 -6.337 -14.217 -10.343 260 HA MET 32 HA MET 32 -7.987 -14.101 -12.551 261 1HB MET 32 2HB MET 32 -6.991 -12.351 -10.291 262 2HB MET 32 1HB MET 32 -7.787 -11.547 -11.561 263 1HG MET 32 2HG MET 32 -9.710 -11.989 -10.452 264 2HG MET 32 1HG MET 32 -9.617 -13.589 -11.110 265 1HE MET 32 1HE MET 32 -8.428 -11.173 -8.581 266 2HE MET 32 3HE MET 32 -9.806 -11.661 -7.567 267 3HE MET 32 2HE MET 32 -8.146 -12.057 -7.087 268 H ASN 33 H ASN 33 -4.882 -12.649 -11.821 269 HA ASN 33 HA ASN 33 -4.529 -11.901 -14.686 270 1HB ASN 33 2HB ASN 33 -4.083 -9.986 -12.307 271 2HB ASN 33 1HB ASN 33 -3.415 -9.673 -13.887 272 1HD2 ASN 33 2HD2 ASN 33 -6.251 -7.592 -13.922 273 2HD2 ASN 33 1HD2 ASN 33 -4.633 -7.723 -13.329 274 H LYS 34 H LYS 34 -2.340 -10.925 -14.985 275 HA LYS 34 HA LYS 34 -0.236 -12.636 -13.797 276 1HB LYS 34 2HB LYS 34 0.797 -12.515 -16.174 277 2HB LYS 34 1HB LYS 34 -0.607 -13.502 -15.972 278 1HG LYS 34 2HG LYS 34 -0.768 -12.258 -18.025 279 2HG LYS 34 1HG LYS 34 -2.065 -11.797 -16.966 280 1HD LYS 34 2HD LYS 34 -0.933 -9.680 -16.426 281 2HD LYS 34 1HD LYS 34 0.491 -10.141 -17.330 282 1HE LYS 34 1HE LYS 34 -2.306 -9.633 -18.477 283 2HE LYS 34 2HE LYS 34 -0.947 -8.530 -18.552 284 1HZ LYS 34 1HZ LYS 34 0.255 -10.093 -19.862 285 2HZ LYS 34 3HZ LYS 34 -1.064 -11.163 -19.845 286 3HZ LYS 34 2HZ LYS 34 -1.216 -9.637 -20.575 287 H ALA 35 H ALA 35 1.920 -11.770 -14.085 288 HA ALA 35 HA ALA 35 2.732 -9.662 -13.061 289 1HB ALA 35 2HB ALA 35 4.299 -11.274 -14.252 290 2HB ALA 35 1HB ALA 35 3.924 -10.499 -15.781 291 3HB ALA 35 3HB ALA 35 4.790 -9.613 -14.518 292 H GLY 36 H GLY 36 2.550 -7.703 -12.934 293 1HA GLY 36 2HA GLY 36 2.617 -5.621 -13.932 294 2HA GLY 36 1HA GLY 36 1.397 -6.188 -15.164 295 H SER 37 H SER 37 -0.541 -7.307 -14.055 296 HA SER 37 HA SER 37 -2.657 -6.559 -12.726 297 1HB SER 37 2HB SER 37 -2.341 -8.325 -11.131 298 2HB SER 37 1HB SER 37 -1.822 -8.772 -12.667 299 HG SER 37 HG SER 37 0.578 -7.737 -11.201 300 H PHE 38 H PHE 38 -2.683 -4.544 -11.520 301 HA PHE 38 HA PHE 38 -0.599 -4.249 -9.336 302 1HB PHE 38 2HB PHE 38 -1.920 -1.811 -10.786 303 2HB PHE 38 1HB PHE 38 -0.547 -1.774 -9.699 304 HD1 PHE 38 HD2 PHE 38 -1.676 -3.121 -12.992 305 HD2 PHE 38 HD1 PHE 38 1.514 -1.881 -10.456 306 HE1 PHE 38 HE2 PHE 38 -0.091 -3.679 -14.712 307 HE2 PHE 38 HE1 PHE 38 3.147 -2.440 -12.230 308 HZ PHE 38 HZ PHE 38 2.370 -3.410 -14.311 309 H LEU 39 H LEU 39 -0.955 -2.584 -7.909 310 HA LEU 39 HA LEU 39 -3.502 -1.475 -6.984 311 1HB LEU 39 2HB LEU 39 -1.752 -2.583 -4.772 312 2HB LEU 39 1HB LEU 39 -3.450 -2.309 -4.757 313 HG LEU 39 HG LEU 39 -2.224 -4.559 -6.341 314 1HD1 LEU 39 2HD1 LEU 39 -1.312 -4.572 -4.032 315 2HD1 LEU 39 1HD1 LEU 39 -2.984 -4.486 -3.460 316 3HD1 LEU 39 3HD1 LEU 39 -2.404 -5.923 -4.323 317 1HD2 LEU 39 3HD2 LEU 39 -4.700 -4.173 -6.521 318 2HD2 LEU 39 2HD2 LEU 39 -4.175 -5.730 -5.793 319 3HD2 LEU 39 1HD2 LEU 39 -4.717 -4.403 -4.728 320 H ILE 40 H ILE 40 -2.824 0.053 -4.923 321 HA ILE 40 HA ILE 40 0.049 0.576 -4.819 322 HB ILE 40 HB ILE 40 -1.243 1.901 -6.967 323 1HG1 ILE 40 1HG1 ILE 40 0.813 3.589 -5.456 324 2HG1 ILE 40 2HG1 ILE 40 1.281 2.014 -6.046 325 1HG2 ILE 40 3HG2 ILE 40 -2.658 3.140 -5.326 326 2HG2 ILE 40 2HG2 ILE 40 -1.159 3.959 -4.814 327 3HG2 ILE 40 1HG2 ILE 40 -1.710 4.106 -6.464 328 1HD1 ILE 40 3HD1 ILE 40 0.580 2.575 -8.399 329 2HD1 ILE 40 2HD1 ILE 40 0.101 4.145 -7.917 330 3HD1 ILE 40 1HD1 ILE 40 1.795 3.692 -7.793 331 H ARG 41 H ARG 41 -0.693 -0.370 -2.868 332 HA ARG 41 HA ARG 41 -2.740 0.769 -1.222 333 1HB ARG 41 2HB ARG 41 -2.501 -1.064 0.078 334 2HB ARG 41 1HB ARG 41 -1.921 -1.641 -1.438 335 1HG ARG 41 2HG ARG 41 -0.406 -2.533 0.068 336 2HG ARG 41 1HG ARG 41 0.492 -1.157 -0.517 337 1HD ARG 41 2HD ARG 41 0.313 -0.011 1.553 338 2HD ARG 41 1HD ARG 41 -1.255 -0.746 1.930 339 HE ARG 41 HE ARG 41 0.886 -2.677 1.939 340 1HH1 ARG 41 1HH2 ARG 41 -0.679 -0.057 3.765 341 2HH1 ARG 41 2HH2 ARG 41 -0.238 -0.709 5.301 342 1HH2 ARG 41 2HH1 ARG 41 1.484 -3.455 4.001 343 2HH2 ARG 41 1HH1 ARG 41 1.010 -2.597 5.432 344 H GLU 42 H GLU 42 -2.590 2.205 0.560 345 HA GLU 42 HA GLU 42 -0.099 3.699 0.643 346 1HB GLU 42 2HB GLU 42 -1.027 5.455 1.679 347 2HB GLU 42 1HB GLU 42 -2.437 4.802 0.919 348 1HG GLU 42 2HG GLU 42 -3.479 4.306 2.904 349 2HG GLU 42 1HG GLU 42 -2.001 4.053 3.818 350 H SER 43 H SER 43 0.959 4.421 2.674 351 HA SER 43 HA SER 43 1.319 1.993 4.352 352 1HB SER 43 2HB SER 43 3.480 3.227 3.814 353 2HB SER 43 1HB SER 43 2.748 4.665 3.942 354 HG SER 43 HG SER 43 2.836 3.588 6.706 355 H GLU 44 H GLU 44 -0.095 1.882 6.141 356 HA GLU 44 HA GLU 44 -1.748 4.191 6.565 357 1HB GLU 44 2HB GLU 44 -2.907 3.010 8.318 358 2HB GLU 44 1HB GLU 44 -2.938 2.303 6.780 359 1HG GLU 44 2HG GLU 44 -1.117 1.393 9.065 360 2HG GLU 44 1HG GLU 44 -2.699 0.729 8.724 361 H SER 45 H SER 45 0.952 4.846 7.163 362 HA SER 45 HA SER 45 0.767 5.968 9.873 363 1HB SER 45 2HB SER 45 2.862 4.879 10.605 364 2HB SER 45 1HB SER 45 1.798 3.670 10.079 365 HG SER 45 HG SER 45 3.644 4.347 7.808 366 H ASN 46 H ASN 46 1.134 6.585 6.774 367 HA ASN 46 HA ASN 46 3.753 7.953 6.820 368 1HB ASN 46 2HB ASN 46 3.420 7.951 4.335 369 2HB ASN 46 1HB ASN 46 3.347 6.388 5.025 370 1HD2 ASN 46 2HD2 ASN 46 -0.514 7.494 4.279 371 2HD2 ASN 46 1HD2 ASN 46 0.306 8.267 5.564 372 H LYS 47 H LYS 47 3.869 9.663 5.265 373 HA LYS 47 HA LYS 47 1.893 11.720 5.612 374 1HB LYS 47 2HB LYS 47 3.466 13.401 5.700 375 2HB LYS 47 1HB LYS 47 4.169 12.115 6.645 376 1HG LYS 47 2HG LYS 47 4.715 12.825 3.798 377 2HG LYS 47 1HG LYS 47 5.818 13.121 5.120 378 1HD LYS 47 2HD LYS 47 4.962 10.395 4.065 379 2HD LYS 47 1HD LYS 47 6.485 11.159 3.689 380 1HE LYS 47 1HE LYS 47 7.153 11.052 6.097 381 2HE LYS 47 2HE LYS 47 5.610 10.301 6.500 382 1HZ LYS 47 2HZ LYS 47 6.163 8.504 5.002 383 2HZ LYS 47 1HZ LYS 47 7.688 9.203 4.739 384 3HZ LYS 47 3HZ LYS 47 7.252 8.672 6.294 385 H GLY 48 H GLY 48 1.387 9.796 3.865 386 1HA GLY 48 2HA GLY 48 0.044 10.114 1.958 387 2HA GLY 48 1HA GLY 48 1.117 11.452 1.395 388 H ALA 49 H ALA 49 2.361 8.558 2.747 389 HA ALA 49 HA ALA 49 3.727 7.891 0.220 390 1HB ALA 49 1HB ALA 49 4.819 7.595 2.553 391 2HB ALA 49 3HB ALA 49 3.875 6.092 2.715 392 3HB ALA 49 2HB ALA 49 5.043 6.279 1.422 393 H PHE 50 H PHE 50 3.869 5.694 -0.563 394 HA PHE 50 HA PHE 50 1.426 4.108 -0.376 395 1HB PHE 50 2HB PHE 50 2.099 5.705 -2.818 396 2HB PHE 50 1HB PHE 50 1.169 4.219 -2.988 397 HD1 PHE 50 HD1 PHE 50 -1.087 4.113 -1.940 398 HD2 PHE 50 HD2 PHE 50 1.236 7.665 -1.830 399 HE1 PHE 50 HE1 PHE 50 -3.117 5.405 -1.409 400 HE2 PHE 50 HE2 PHE 50 -0.770 8.973 -1.240 401 HZ PHE 50 HZ PHE 50 -2.958 7.855 -1.055 402 H SER 51 H SER 51 1.590 2.223 -2.093 403 HA SER 51 HA SER 51 4.339 1.272 -2.450 404 1HB SER 51 2HB SER 51 2.564 -0.728 -0.966 405 2HB SER 51 1HB SER 51 4.228 -0.617 -1.046 406 HG SER 51 HG SER 51 3.192 1.632 0.660 407 H LEU 52 H LEU 52 4.317 0.781 -4.447 408 HA LEU 52 HA LEU 52 1.985 -0.239 -5.828 409 1HB LEU 52 2HB LEU 52 3.492 1.483 -6.751 410 2HB LEU 52 1HB LEU 52 4.861 0.430 -6.686 411 HG LEU 52 HG LEU 52 3.923 -0.911 -8.526 412 1HD1 LEU 52 3HD1 LEU 52 1.467 0.728 -7.945 413 2HD1 LEU 52 2HD1 LEU 52 1.700 0.085 -9.569 414 3HD1 LEU 52 1HD1 LEU 52 1.599 -1.011 -8.186 415 1HD2 LEU 52 1HD2 LEU 52 5.151 1.214 -9.084 416 2HD2 LEU 52 3HD2 LEU 52 3.944 0.813 -10.304 417 3HD2 LEU 52 2HD2 LEU 52 3.621 2.088 -9.133 418 H SER 53 H SER 53 1.399 -2.163 -5.806 419 HA SER 53 HA SER 53 3.308 -4.408 -5.549 420 1HB SER 53 2HB SER 53 0.233 -4.547 -5.458 421 2HB SER 53 1HB SER 53 1.346 -5.695 -4.860 422 HG SER 53 HG SER 53 1.450 -3.116 -3.240 423 H VAL 54 H VAL 54 3.699 -5.714 -7.176 424 HA VAL 54 HA VAL 54 1.888 -5.583 -9.499 425 HB VAL 54 HB VAL 54 4.936 -5.224 -9.798 426 1HG1 VAL 54 2HG1 VAL 54 3.710 -6.371 -11.769 427 2HG1 VAL 54 1HG1 VAL 54 2.970 -4.793 -11.927 428 3HG1 VAL 54 3HG1 VAL 54 4.672 -4.913 -12.083 429 1HG2 VAL 54 2HG2 VAL 54 2.629 -3.406 -9.806 430 2HG2 VAL 54 1HG2 VAL 54 3.987 -3.279 -8.762 431 3HG2 VAL 54 3HG2 VAL 54 4.223 -2.949 -10.480 432 H LYS 55 H LYS 55 1.883 -8.033 -10.720 433 HA LYS 55 HA LYS 55 2.912 -9.951 -8.811 434 1HB LYS 55 2HB LYS 55 0.900 -10.508 -9.884 435 2HB LYS 55 1HB LYS 55 1.577 -10.520 -11.503 436 1HG LYS 55 2HG LYS 55 2.315 -12.619 -11.293 437 2HG LYS 55 1HG LYS 55 2.996 -12.364 -9.737 438 1HD LYS 55 2HD LYS 55 1.265 -13.873 -9.245 439 2HD LYS 55 1HD LYS 55 0.625 -12.345 -8.795 440 1HE LYS 55 1HE LYS 55 -1.101 -13.587 -9.977 441 2HE LYS 55 2HE LYS 55 -0.640 -12.252 -11.018 442 1HZ LYS 55 2HZ LYS 55 0.323 -15.035 -11.221 443 2HZ LYS 55 1HZ LYS 55 -0.942 -14.340 -12.117 444 3HZ LYS 55 3HZ LYS 55 0.649 -13.775 -12.307 445 H ASP 56 H ASP 56 5.498 -10.326 -8.648 446 HA ASP 56 HA ASP 56 6.667 -10.394 -11.337 447 1HB ASP 56 2HB ASP 56 8.179 -11.927 -9.229 448 2HB ASP 56 1HB ASP 56 8.675 -11.366 -10.728 449 H ILE 57 H ILE 57 7.223 -12.014 -12.604 450 HA ILE 57 HA ILE 57 6.486 -14.783 -11.882 451 HB ILE 57 HB ILE 57 5.680 -13.392 -14.466 452 1HG1 ILE 57 1HG1 ILE 57 4.141 -14.312 -12.026 453 2HG1 ILE 57 2HG1 ILE 57 4.169 -12.722 -12.716 454 1HG2 ILE 57 1HG2 ILE 57 6.344 -15.787 -14.860 455 2HG2 ILE 57 3HG2 ILE 57 5.201 -16.298 -13.622 456 3HG2 ILE 57 2HG2 ILE 57 4.637 -15.554 -15.117 457 1HD1 ILE 57 3HD1 ILE 57 2.947 -13.739 -14.760 458 2HD1 ILE 57 2HD1 ILE 57 2.804 -15.216 -13.778 459 3HD1 ILE 57 1HD1 ILE 57 2.047 -13.726 -13.243 460 H THR 58 H THR 58 8.365 -15.333 -11.545 461 HA THR 58 HA THR 58 10.451 -15.265 -13.652 462 HB THR 58 HB THR 58 10.979 -13.918 -11.705 463 HG1 THR 58 HG1 THR 58 12.758 -16.310 -11.572 464 1HG2 THR 58 3HG2 THR 58 10.115 -16.213 -9.861 465 2HG2 THR 58 2HG2 THR 58 11.009 -14.787 -9.311 466 3HG2 THR 58 1HG2 THR 58 9.460 -14.619 -10.062 467 H THR 59 H THR 59 12.087 -17.110 -13.279 468 HA THR 59 HA THR 59 10.500 -19.535 -13.285 469 HB THR 59 HB THR 59 12.150 -19.428 -14.909 470 HG1 THR 59 HG1 THR 59 12.914 -21.660 -13.067 471 1HG2 THR 59 2HG2 THR 59 14.351 -18.840 -12.836 472 2HG2 THR 59 1HG2 THR 59 14.647 -19.323 -14.497 473 3HG2 THR 59 3HG2 THR 59 13.749 -17.896 -14.204 474 H GLN 60 H GLN 60 11.616 -17.786 -10.737 475 HA GLN 60 HA GLN 60 12.386 -20.148 -9.100 476 1HB GLN 60 2HB GLN 60 12.441 -17.186 -8.484 477 2HB GLN 60 1HB GLN 60 12.780 -18.369 -7.296 478 1HG GLN 60 2HG GLN 60 14.373 -18.620 -9.871 479 2HG GLN 60 1HG GLN 60 14.756 -17.292 -8.787 480 1HE2 GLN 60 2HE2 GLN 60 17.093 -19.695 -7.670 481 2HE2 GLN 60 1HE2 GLN 60 16.808 -18.464 -8.850 482 H GLY 61 H GLY 61 9.583 -18.548 -10.016 483 1HA GLY 61 2HA GLY 61 7.571 -19.659 -9.165 484 2HA GLY 61 1HA GLY 61 8.155 -19.294 -7.495 485 H GLU 62 H GLU 62 5.594 -18.538 -8.406 486 HA GLU 62 HA GLU 62 5.600 -15.881 -9.319 487 1HB GLU 62 2HB GLU 62 3.843 -17.843 -9.580 488 2HB GLU 62 1HB GLU 62 3.220 -17.294 -8.024 489 1HG GLU 62 2HG GLU 62 2.899 -15.053 -8.862 490 2HG GLU 62 1HG GLU 62 3.761 -15.423 -10.333 491 H VAL 63 H VAL 63 5.248 -14.108 -8.260 492 HA VAL 63 HA VAL 63 4.823 -13.956 -5.375 493 HB VAL 63 HB VAL 63 7.203 -14.468 -5.737 494 1HG1 VAL 63 3HG1 VAL 63 7.514 -13.592 -7.978 495 2HG1 VAL 63 2HG1 VAL 63 7.294 -11.937 -7.406 496 3HG1 VAL 63 1HG1 VAL 63 8.712 -12.872 -6.908 497 1HG2 VAL 63 1HG2 VAL 63 6.493 -12.885 -3.829 498 2HG2 VAL 63 3HG2 VAL 63 8.191 -12.897 -4.283 499 3HG2 VAL 63 2HG2 VAL 63 7.182 -11.569 -4.797 500 H VAL 64 H VAL 64 5.344 -11.305 -5.052 501 HA VAL 64 HA VAL 64 4.057 -9.763 -7.222 502 HB VAL 64 HB VAL 64 3.222 -10.186 -4.398 503 1HG1 VAL 64 2HG1 VAL 64 2.753 -7.589 -5.851 504 2HG1 VAL 64 1HG1 VAL 64 1.823 -8.150 -4.454 505 3HG1 VAL 64 3HG1 VAL 64 3.543 -7.754 -4.247 506 1HG2 VAL 64 3HG2 VAL 64 1.993 -11.072 -6.483 507 2HG2 VAL 64 2HG2 VAL 64 1.031 -10.088 -5.358 508 3HG2 VAL 64 1HG2 VAL 64 1.638 -9.365 -6.837 509 H LYS 65 H LYS 65 4.511 -7.275 -6.356 510 HA LYS 65 HA LYS 65 7.330 -7.086 -5.502 511 1HB LYS 65 2HB LYS 65 6.247 -5.135 -7.615 512 2HB LYS 65 1HB LYS 65 7.748 -4.960 -6.820 513 1HG LYS 65 2HG LYS 65 8.455 -5.908 -8.715 514 2HG LYS 65 1HG LYS 65 8.425 -7.279 -7.677 515 1HD LYS 65 2HD LYS 65 6.603 -8.233 -8.592 516 2HD LYS 65 1HD LYS 65 5.818 -6.756 -8.785 517 1HE LYS 65 1HE LYS 65 6.885 -8.275 -10.938 518 2HE LYS 65 2HE LYS 65 6.176 -6.693 -11.048 519 1HZ LYS 65 1HZ LYS 65 8.392 -5.786 -10.579 520 2HZ LYS 65 3HZ LYS 65 8.999 -7.359 -10.643 521 3HZ LYS 65 2HZ LYS 65 8.310 -6.664 -12.031 522 H HIS 66 H HIS 66 7.681 -4.734 -5.059 523 HA HIS 66 HA HIS 66 5.565 -3.145 -3.807 524 1HB HIS 66 2HB HIS 66 7.736 -4.632 -2.187 525 2HB HIS 66 1HB HIS 66 6.983 -3.193 -1.568 526 HD1 HIS 66 HD1 HIS 66 4.139 -4.190 -2.904 527 HD2 HIS 66 HD2 HIS 66 6.584 -6.154 -0.163 528 HE1 HIS 66 HE1 HIS 66 2.633 -5.825 -1.589 529 H TYR 67 H TYR 67 6.306 -1.509 -5.247 530 HA TYR 67 HA TYR 67 9.065 -0.468 -4.809 531 1HB TYR 67 2HB TYR 67 7.034 0.698 -6.749 532 2HB TYR 67 1HB TYR 67 8.766 0.941 -6.765 533 HD1 TYR 67 HD2 TYR 67 5.983 -1.258 -7.461 534 HD2 TYR 67 HD1 TYR 67 10.189 -0.775 -7.891 535 HE1 TYR 67 HE2 TYR 67 5.985 -3.101 -8.942 536 HE2 TYR 67 HE1 TYR 67 10.267 -2.610 -9.475 537 HH TYR 67 HH TYR 67 7.911 -3.868 -11.193 538 H LYS 68 H LYS 68 9.269 1.015 -3.264 539 HA LYS 68 HA LYS 68 6.964 2.046 -1.920 540 1HB LYS 68 2HB LYS 68 8.334 2.681 -0.237 541 2HB LYS 68 1HB LYS 68 9.163 1.308 -0.922 542 1HG LYS 68 2HG LYS 68 9.793 4.216 -1.291 543 2HG LYS 68 1HG LYS 68 10.670 3.073 -0.320 544 1HD LYS 68 2HD LYS 68 11.253 1.742 -2.380 545 2HD LYS 68 1HD LYS 68 10.436 2.920 -3.377 546 1HE LYS 68 1HE LYS 68 11.945 4.707 -2.369 547 2HE LYS 68 2HE LYS 68 12.851 3.384 -1.628 548 1HZ LYS 68 2HZ LYS 68 13.171 2.477 -3.859 549 2HZ LYS 68 1HZ LYS 68 12.378 3.820 -4.511 550 3HZ LYS 68 3HZ LYS 68 13.857 4.027 -3.688 551 H ILE 69 H ILE 69 5.689 3.531 -2.696 552 HA ILE 69 HA ILE 69 6.890 5.874 -3.958 553 HB ILE 69 HB ILE 69 4.361 6.641 -3.999 554 1HG1 ILE 69 1HG1 ILE 69 3.644 4.302 -3.427 555 2HG1 ILE 69 2HG1 ILE 69 2.810 5.191 -4.646 556 1HG2 ILE 69 3HG2 ILE 69 6.147 5.879 -6.161 557 2HG2 ILE 69 2HG2 ILE 69 4.447 6.297 -6.478 558 3HG2 ILE 69 1HG2 ILE 69 5.525 7.391 -5.616 559 1HD1 ILE 69 3HD1 ILE 69 4.744 2.944 -5.235 560 2HD1 ILE 69 2HD1 ILE 69 2.984 2.926 -5.280 561 3HD1 ILE 69 1HD1 ILE 69 3.851 3.902 -6.443 562 H ARG 70 H ARG 70 6.588 7.864 -3.458 563 HA ARG 70 HA ARG 70 6.045 8.458 -0.573 564 1HB ARG 70 2HB ARG 70 8.296 9.432 -2.369 565 2HB ARG 70 1HB ARG 70 7.936 10.080 -0.783 566 1HG ARG 70 2HG ARG 70 8.067 7.360 -0.231 567 2HG ARG 70 1HG ARG 70 9.284 7.525 -1.494 568 1HD ARG 70 2HD ARG 70 10.198 9.531 -0.201 569 2HD ARG 70 1HD ARG 70 9.092 9.089 1.107 570 HE ARG 70 HE ARG 70 11.593 7.840 0.368 571 1HH1 ARG 70 1HH2 ARG 70 8.458 7.211 1.859 572 2HH1 ARG 70 2HH2 ARG 70 9.031 5.890 2.828 573 1HH2 ARG 70 2HH1 ARG 70 12.318 6.112 1.650 574 2HH2 ARG 70 1HH1 ARG 70 11.236 5.264 2.702 575 H SER 71 H SER 71 5.992 10.918 -0.396 576 HA SER 71 HA SER 71 4.685 12.163 -2.717 577 1HB SER 71 1HB SER 71 3.193 13.209 -0.739 578 2HB SER 71 2HB SER 71 2.777 11.692 -1.361 579 HG SER 71 HG SER 71 4.474 11.070 0.950 580 H LEU 72 H LEU 72 5.877 13.768 -3.262 581 HA LEU 72 HA LEU 72 7.648 15.115 -1.343 582 1HB LEU 72 2HB LEU 72 7.984 15.432 -4.318 583 2HB LEU 72 1HB LEU 72 9.166 15.413 -3.047 584 HG LEU 72 HG LEU 72 9.487 13.507 -4.205 585 1HD1 LEU 72 3HD1 LEU 72 8.495 13.201 -1.470 586 2HD1 LEU 72 2HD1 LEU 72 8.495 11.698 -2.379 587 3HD1 LEU 72 1HD1 LEU 72 9.958 12.690 -2.210 588 1HD2 LEU 72 2HD2 LEU 72 6.918 13.626 -5.110 589 2HD2 LEU 72 1HD2 LEU 72 7.952 12.209 -5.330 590 3HD2 LEU 72 3HD2 LEU 72 6.782 12.230 -4.032 591 H ASP 73 H ASP 73 8.197 17.093 -1.811 592 HA ASP 73 HA ASP 73 6.458 19.084 -1.247 593 1HB ASP 73 2HB ASP 73 8.298 20.697 -1.984 594 2HB ASP 73 1HB ASP 73 8.827 19.397 -0.948 595 H ASN 74 H ASN 74 7.405 18.235 -4.537 596 HA ASN 74 HA ASN 74 6.018 20.409 -5.737 597 1HB ASN 74 2HB ASN 74 6.361 19.323 -7.910 598 2HB ASN 74 1HB ASN 74 7.805 19.137 -6.942 599 1HD2 ASN 74 2HD2 ASN 74 6.174 15.944 -8.588 600 2HD2 ASN 74 1HD2 ASN 74 5.980 17.583 -9.098 601 H GLY 75 H GLY 75 5.108 17.384 -4.797 602 1HA GLY 75 2HA GLY 75 2.864 16.949 -3.902 603 2HA GLY 75 1HA GLY 75 2.185 17.858 -5.320 604 H GLY 76 H GLY 76 4.970 15.868 -5.746 605 1HA GLY 76 2HA GLY 76 3.485 14.135 -7.537 606 2HA GLY 76 1HA GLY 76 5.263 14.403 -7.431 607 H TYR 77 H TYR 77 5.165 12.211 -7.715 608 HA TYR 77 HA TYR 77 5.416 10.775 -5.170 609 1HB TYR 77 2HB TYR 77 3.620 9.778 -7.496 610 2HB TYR 77 1HB TYR 77 4.094 8.755 -6.188 611 HD1 TYR 77 HD2 TYR 77 2.060 11.582 -7.150 612 HD2 TYR 77 HD1 TYR 77 3.052 8.908 -4.033 613 HE1 TYR 77 HE2 TYR 77 -0.110 12.053 -6.186 614 HE2 TYR 77 HE1 TYR 77 1.011 9.463 -2.859 615 HH TYR 77 HH TYR 77 -1.682 10.176 -4.245 616 H TYR 78 H TYR 78 7.104 9.778 -5.175 617 HA TYR 78 HA TYR 78 8.253 8.869 -7.832 618 1HB TYR 78 2HB TYR 78 10.404 9.356 -7.210 619 2HB TYR 78 1HB TYR 78 9.551 10.692 -6.501 620 HD1 TYR 78 HD1 TYR 78 11.181 7.435 -5.738 621 HD2 TYR 78 HD2 TYR 78 9.696 11.108 -4.145 622 HE1 TYR 78 HE1 TYR 78 12.259 6.907 -3.713 623 HE2 TYR 78 HE2 TYR 78 10.825 10.712 -2.102 624 HH TYR 78 HH TYR 78 13.273 8.851 -1.514 625 H ILE 79 H ILE 79 8.788 6.824 -8.109 626 HA ILE 79 HA ILE 79 8.535 4.989 -5.699 627 HB ILE 79 HB ILE 79 8.778 3.063 -7.474 628 1HG1 ILE 79 1HG1 ILE 79 7.371 5.241 -8.976 629 2HG1 ILE 79 2HG1 ILE 79 8.918 4.536 -9.450 630 1HG2 ILE 79 2HG2 ILE 79 6.851 3.469 -5.824 631 2HG2 ILE 79 1HG2 ILE 79 6.003 4.192 -7.211 632 3HG2 ILE 79 3HG2 ILE 79 6.492 2.554 -7.280 633 1HD1 ILE 79 1HD1 ILE 79 7.457 2.241 -9.342 634 2HD1 ILE 79 3HD1 ILE 79 6.123 3.372 -9.626 635 3HD1 ILE 79 2HD1 ILE 79 7.470 3.201 -10.786 636 H SER 80 H SER 80 10.324 5.799 -8.499 637 HA SER 80 HA SER 80 12.864 5.054 -7.223 638 1HB SER 80 2HB SER 80 11.785 4.187 -9.751 639 2HB SER 80 1HB SER 80 12.195 5.718 -10.224 640 HG SER 80 HG SER 80 14.689 4.183 -9.502 641 HA PRO 81 HA PRO 81 12.657 9.480 -6.800 642 1HB PRO 81 2HB PRO 81 15.264 9.968 -5.942 643 2HB PRO 81 1HB PRO 81 13.936 9.360 -4.959 644 1HG PRO 81 2HG PRO 81 16.136 7.754 -6.187 645 2HG PRO 81 1HG PRO 81 15.344 7.544 -4.604 646 1HD PRO 81 1HD PRO 81 14.824 6.038 -6.815 647 2HD PRO 81 2HD PRO 81 13.637 6.324 -5.508 648 H ARG 82 H ARG 82 14.606 7.870 -9.063 649 HA ARG 82 HA ARG 82 15.562 10.244 -10.396 650 1HB ARG 82 2HB ARG 82 16.513 8.791 -12.016 651 2HB ARG 82 1HB ARG 82 16.632 7.985 -10.485 652 1HG ARG 82 2HG ARG 82 15.856 6.216 -11.689 653 2HG ARG 82 1HG ARG 82 14.284 6.899 -11.273 654 1HD ARG 82 2HD ARG 82 14.001 6.668 -13.584 655 2HD ARG 82 1HD ARG 82 14.767 8.257 -13.580 656 HE ARG 82 HE ARG 82 16.826 7.293 -14.201 657 1HH1 ARG 82 1HH2 ARG 82 14.226 4.890 -14.057 658 2HH1 ARG 82 2HH2 ARG 82 15.084 3.727 -15.002 659 1HH2 ARG 82 2HH1 ARG 82 17.919 5.734 -15.413 660 2HH2 ARG 82 1HH1 ARG 82 17.186 4.204 -15.758 661 H ILE 83 H ILE 83 12.619 8.374 -10.474 662 HA ILE 83 HA ILE 83 11.451 10.256 -12.417 663 HB ILE 83 HB ILE 83 9.854 8.490 -13.053 664 1HG1 ILE 83 1HG1 ILE 83 12.143 6.707 -12.124 665 2HG1 ILE 83 2HG1 ILE 83 10.543 6.770 -11.405 666 1HG2 ILE 83 1HG2 ILE 83 11.501 9.585 -14.510 667 2HG2 ILE 83 3HG2 ILE 83 12.674 8.344 -14.033 668 3HG2 ILE 83 2HG2 ILE 83 11.219 7.923 -14.957 669 1HD1 ILE 83 2HD1 ILE 83 9.808 6.444 -13.985 670 2HD1 ILE 83 1HD1 ILE 83 11.417 5.810 -14.136 671 3HD1 ILE 83 3HD1 ILE 83 10.294 5.001 -13.029 672 H THR 84 H THR 84 10.103 11.387 -11.789 673 HA THR 84 HA THR 84 8.112 10.671 -9.720 674 HB THR 84 HB THR 84 8.926 13.591 -9.852 675 HG1 THR 84 HG1 THR 84 11.180 11.846 -9.092 676 1HG2 THR 84 3HG2 THR 84 8.204 11.712 -7.628 677 2HG2 THR 84 2HG2 THR 84 8.653 13.402 -7.393 678 3HG2 THR 84 1HG2 THR 84 7.263 12.976 -8.377 679 H PHE 85 H PHE 85 6.366 11.687 -9.872 680 HA PHE 85 HA PHE 85 5.570 13.213 -12.339 681 1HB PHE 85 2HB PHE 85 4.266 10.595 -11.425 682 2HB PHE 85 1HB PHE 85 3.509 11.664 -12.573 683 HD1 PHE 85 HD1 PHE 85 6.463 9.527 -12.010 684 HD2 PHE 85 HD2 PHE 85 4.303 11.870 -14.852 685 HE1 PHE 85 HE1 PHE 85 7.973 8.754 -13.835 686 HE2 PHE 85 HE2 PHE 85 5.801 11.051 -16.651 687 HZ PHE 85 HZ PHE 85 7.701 9.475 -16.058 688 HA PRO 86 HA PRO 86 3.492 15.798 -9.429 689 1HB PRO 86 2HB PRO 86 1.325 16.765 -10.915 690 2HB PRO 86 1HB PRO 86 3.003 17.250 -11.176 691 1HG PRO 86 2HG PRO 86 1.408 15.220 -12.708 692 2HG PRO 86 1HG PRO 86 2.503 16.444 -13.360 693 1HD PRO 86 1HD PRO 86 3.270 13.834 -13.067 694 2HD PRO 86 2HD PRO 86 4.427 15.162 -12.850 695 H THR 87 H THR 87 2.104 12.922 -10.388 696 HA THR 87 HA THR 87 0.590 12.743 -8.024 697 HB THR 87 HB THR 87 -1.191 13.824 -8.971 698 HG1 THR 87 HG1 THR 87 -1.915 10.952 -9.238 699 1HG2 THR 87 3HG2 THR 87 -0.623 12.553 -11.671 700 2HG2 THR 87 2HG2 THR 87 -2.107 13.464 -11.302 701 3HG2 THR 87 1HG2 THR 87 -0.537 14.207 -11.136 702 H LEU 88 H LEU 88 -0.399 10.467 -7.917 703 HA LEU 88 HA LEU 88 1.470 8.658 -9.095 704 1HB LEU 88 2HB LEU 88 -1.300 7.997 -7.984 705 2HB LEU 88 1HB LEU 88 -0.239 6.810 -8.623 706 HG LEU 88 HG LEU 88 0.358 8.534 -6.225 707 1HD1 LEU 88 3HD1 LEU 88 -1.496 6.856 -5.986 708 2HD1 LEU 88 2HD1 LEU 88 -0.403 5.654 -6.660 709 3HD1 LEU 88 1HD1 LEU 88 -0.072 6.328 -5.052 710 1HD2 LEU 88 2HD2 LEU 88 1.788 6.072 -7.330 711 2HD2 LEU 88 1HD2 LEU 88 2.435 7.730 -7.380 712 3HD2 LEU 88 3HD2 LEU 88 2.195 6.912 -5.838 713 H GLN 89 H GLN 89 -1.632 10.045 -10.231 714 HA GLN 89 HA GLN 89 -2.077 7.752 -12.007 715 1HB GLN 89 2HB GLN 89 -3.986 8.526 -12.725 716 2HB GLN 89 1HB GLN 89 -3.928 9.022 -11.061 717 1HG GLN 89 2HG GLN 89 -2.933 11.210 -12.640 718 2HG GLN 89 1HG GLN 89 -4.320 10.479 -13.473 719 1HE2 GLN 89 2HE2 GLN 89 -4.802 11.885 -9.598 720 2HE2 GLN 89 1HE2 GLN 89 -3.392 11.051 -10.172 721 H ALA 90 H ALA 90 -0.467 10.723 -12.241 722 HA ALA 90 HA ALA 90 0.025 10.534 -15.097 723 1HB ALA 90 3HB ALA 90 1.466 12.091 -12.846 724 2HB ALA 90 2HB ALA 90 2.024 12.204 -14.510 725 3HB ALA 90 1HB ALA 90 0.420 12.754 -14.084 726 H LEU 91 H LEU 91 1.285 8.994 -12.349 727 HA LEU 91 HA LEU 91 3.728 7.965 -13.555 728 1HB LEU 91 2HB LEU 91 4.119 8.371 -11.390 729 2HB LEU 91 1HB LEU 91 2.512 8.234 -10.848 730 HG LEU 91 HG LEU 91 4.244 5.850 -11.496 731 1HD1 LEU 91 3HD1 LEU 91 5.195 7.438 -9.618 732 2HD1 LEU 91 2HD1 LEU 91 3.795 6.911 -8.689 733 3HD1 LEU 91 1HD1 LEU 91 4.987 5.734 -9.202 734 1HD2 LEU 91 1HD2 LEU 91 1.646 6.068 -9.902 735 2HD2 LEU 91 3HD2 LEU 91 2.055 5.041 -11.293 736 3HD2 LEU 91 2HD2 LEU 91 2.793 4.687 -9.763 737 H VAL 92 H VAL 92 0.348 6.951 -12.808 738 HA VAL 92 HA VAL 92 0.831 4.292 -13.708 739 HB VAL 92 HB VAL 92 -1.932 5.453 -13.220 740 1HG1 VAL 92 2HG1 VAL 92 -1.594 2.985 -13.730 741 2HG1 VAL 92 1HG1 VAL 92 -0.692 2.921 -12.160 742 3HG1 VAL 92 3HG1 VAL 92 -2.377 3.360 -12.179 743 1HG2 VAL 92 1HG2 VAL 92 0.115 5.230 -11.044 744 2HG2 VAL 92 3HG2 VAL 92 -1.339 6.198 -11.108 745 3HG2 VAL 92 2HG2 VAL 92 -1.402 4.552 -10.684 746 H GLN 93 H GLN 93 0.459 7.226 -15.256 747 HA GLN 93 HA GLN 93 -1.165 6.240 -17.491 748 1HB GLN 93 2HB GLN 93 -1.545 8.373 -18.199 749 2HB GLN 93 1HB GLN 93 -1.352 8.671 -16.503 750 1HG GLN 93 2HG GLN 93 1.056 9.354 -16.972 751 2HG GLN 93 1HG GLN 93 0.714 9.212 -18.680 752 1HE2 GLN 93 2HE2 GLN 93 0.458 12.707 -17.564 753 2HE2 GLN 93 1HE2 GLN 93 1.649 11.452 -17.487 754 H HIS 94 H HIS 94 1.983 7.651 -16.733 755 HA HIS 94 HA HIS 94 3.215 7.361 -19.232 756 1HB HIS 94 2HB HIS 94 4.160 8.772 -17.399 757 2HB HIS 94 1HB HIS 94 4.445 7.356 -16.406 758 HD1 HIS 94 HD1 HIS 94 6.939 7.063 -16.428 759 HD2 HIS 94 HD2 HIS 94 5.427 7.873 -20.252 760 HE1 HIS 94 HE1 HIS 94 8.885 6.904 -18.055 761 H TYR 95 H TYR 95 3.086 5.270 -16.378 762 HA TYR 95 HA TYR 95 4.653 3.200 -17.614 763 1HB TYR 95 2HB TYR 95 2.883 3.051 -15.156 764 2HB TYR 95 1HB TYR 95 4.060 1.849 -15.637 765 HD1 TYR 95 HD1 TYR 95 6.015 4.531 -16.411 766 HD2 TYR 95 HD2 TYR 95 3.978 2.869 -13.038 767 HE1 TYR 95 HE1 TYR 95 7.615 5.568 -14.980 768 HE2 TYR 95 HE2 TYR 95 5.503 3.836 -11.569 769 HH TYR 95 HH TYR 95 7.347 6.293 -11.923 770 H SER 96 H SER 96 1.246 4.034 -17.778 771 HA SER 96 HA SER 96 0.312 1.409 -18.439 772 1HB SER 96 2HB SER 96 -0.636 4.102 -19.670 773 2HB SER 96 1HB SER 96 -1.447 2.675 -19.982 774 HG SER 96 HG SER 96 -1.832 3.163 -17.097 775 H LYS 97 H LYS 97 2.122 3.637 -20.354 776 HA LYS 97 HA LYS 97 2.107 1.519 -22.487 777 1HB LYS 97 2HB LYS 97 2.638 4.553 -22.516 778 2HB LYS 97 1HB LYS 97 3.226 3.558 -23.809 779 1HG LYS 97 2HG LYS 97 1.171 4.488 -24.526 780 2HG LYS 97 1HG LYS 97 0.921 2.775 -24.317 781 1HD LYS 97 2HD LYS 97 -0.305 3.138 -22.247 782 2HD LYS 97 1HD LYS 97 0.126 4.837 -22.206 783 1HE LYS 97 1HE LYS 97 -1.170 5.175 -24.360 784 2HE LYS 97 2HE LYS 97 -1.648 3.486 -24.306 785 1HZ LYS 97 1HZ LYS 97 -2.741 3.917 -22.206 786 2HZ LYS 97 3HZ LYS 97 -2.305 5.553 -22.311 787 3HZ LYS 97 2HZ LYS 97 -3.337 4.875 -23.473 788 H LYS 98 H LYS 98 4.417 3.435 -20.527 789 HA LYS 98 HA LYS 98 6.345 1.276 -21.098 790 1HB LYS 98 2HB LYS 98 6.320 3.339 -22.734 791 2HB LYS 98 1HB LYS 98 7.003 4.277 -21.439 792 1HG LYS 98 2HG LYS 98 8.230 1.619 -22.132 793 2HG LYS 98 1HG LYS 98 8.454 2.923 -23.260 794 1HD LYS 98 2HD LYS 98 9.651 4.272 -21.713 795 2HD LYS 98 1HD LYS 98 9.090 3.367 -20.329 796 1HE LYS 98 1HE LYS 98 10.453 1.486 -20.802 797 2HE LYS 98 2HE LYS 98 10.774 1.995 -22.456 798 1HZ LYS 98 2HZ LYS 98 11.724 3.460 -20.086 799 2HZ LYS 98 1HZ LYS 98 12.652 2.360 -20.997 800 3HZ LYS 98 3HZ LYS 98 12.068 3.795 -21.697 801 H GLY 99 H GLY 99 6.519 0.573 -19.209 802 1HA GLY 99 2HA GLY 99 6.087 1.645 -16.693 803 2HA GLY 99 1HA GLY 99 7.157 0.244 -17.040 804 H ASP 100 H ASP 100 8.813 1.669 -18.641 805 HA ASP 100 HA ASP 100 10.919 2.600 -18.604 806 1HB ASP 100 2HB ASP 100 9.239 4.558 -18.486 807 2HB ASP 100 1HB ASP 100 9.599 4.705 -16.789 808 H GLY 101 H GLY 101 10.238 0.816 -16.253 809 1HA GLY 101 2HA GLY 101 12.705 0.553 -15.089 810 2HA GLY 101 1HA GLY 101 11.971 1.869 -14.099 811 H LEU 102 H LEU 102 9.329 0.281 -14.755 812 HA LEU 102 HA LEU 102 9.201 -1.006 -12.236 813 1HB LEU 102 2HB LEU 102 7.469 -0.845 -14.737 814 2HB LEU 102 1HB LEU 102 6.964 -1.999 -13.586 815 HG LEU 102 HG LEU 102 7.262 0.982 -13.102 816 1HD1 LEU 102 1HD1 LEU 102 4.860 -0.895 -13.253 817 2HD1 LEU 102 3HD1 LEU 102 4.768 0.796 -12.801 818 3HD1 LEU 102 2HD1 LEU 102 5.279 0.348 -14.438 819 1HD2 LEU 102 1HD2 LEU 102 7.755 -0.375 -10.966 820 2HD2 LEU 102 3HD2 LEU 102 6.343 0.645 -10.879 821 3HD2 LEU 102 2HD2 LEU 102 6.141 -1.075 -11.132 822 H CYS 103 H CYS 103 10.119 -2.037 -15.319 823 HA CYS 103 HA CYS 103 11.244 -3.841 -16.045 824 1HB CYS 103 2HB CYS 103 11.900 -5.678 -14.786 825 2HB CYS 103 1HB CYS 103 11.694 -4.482 -13.537 826 HG CYS 103 HG CYS 103 10.741 -7.028 -12.642 827 H GLN 104 H GLN 104 8.038 -3.930 -14.850 828 HA GLN 104 HA GLN 104 7.033 -5.231 -17.230 829 1HB GLN 104 2HB GLN 104 6.507 -6.108 -14.291 830 2HB GLN 104 1HB GLN 104 5.392 -6.539 -15.553 831 1HG GLN 104 2HG GLN 104 8.339 -7.403 -15.559 832 2HG GLN 104 1HG GLN 104 7.036 -8.370 -14.907 833 1HE2 GLN 104 2HE2 GLN 104 5.896 -9.638 -17.899 834 2HE2 GLN 104 1HE2 GLN 104 5.806 -9.593 -16.173 835 H LYS 105 H LYS 105 6.345 -3.603 -17.936 836 HA LYS 105 HA LYS 105 5.140 -1.518 -16.522 837 1HB LYS 105 2HB LYS 105 4.992 -0.463 -18.628 838 2HB LYS 105 1HB LYS 105 6.514 -1.359 -18.391 839 1HG LYS 105 2HG LYS 105 5.676 -1.291 -20.717 840 2HG LYS 105 1HG LYS 105 5.939 -2.932 -20.115 841 1HD LYS 105 2HD LYS 105 4.001 -2.652 -21.512 842 2HD LYS 105 1HD LYS 105 3.467 -3.161 -19.915 843 1HE LYS 105 1HE LYS 105 2.616 -0.986 -19.413 844 2HE LYS 105 2HE LYS 105 3.641 -0.221 -20.641 845 1HZ LYS 105 1HZ LYS 105 2.327 -1.380 -22.319 846 2HZ LYS 105 3HZ LYS 105 1.332 -2.024 -21.094 847 3HZ LYS 105 2HZ LYS 105 1.380 -0.354 -21.355 848 H LEU 106 H LEU 106 3.175 -0.667 -16.848 849 HA LEU 106 HA LEU 106 1.343 -2.439 -15.842 850 1HB LEU 106 2HB LEU 106 0.182 0.128 -16.895 851 2HB LEU 106 1HB LEU 106 -0.263 -0.755 -15.486 852 HG LEU 106 HG LEU 106 2.317 0.786 -15.863 853 1HD1 LEU 106 1HD1 LEU 106 -0.316 1.493 -14.622 854 2HD1 LEU 106 3HD1 LEU 106 1.138 2.140 -13.883 855 3HD1 LEU 106 2HD1 LEU 106 0.833 2.490 -15.556 856 1HD2 LEU 106 1HD2 LEU 106 1.231 -0.522 -13.358 857 2HD2 LEU 106 3HD2 LEU 106 2.730 -1.011 -14.247 858 3HD2 LEU 106 2HD2 LEU 106 2.643 0.486 -13.369 859 H THR 107 H THR 107 0.035 -3.768 -16.384 860 HA THR 107 HA THR 107 -0.940 -4.019 -19.129 861 HB THR 107 HB THR 107 -0.999 -6.245 -18.911 862 HG1 THR 107 HG1 THR 107 -1.576 -6.350 -16.025 863 1HG2 THR 107 1HG2 THR 107 1.248 -5.452 -18.848 864 2HG2 THR 107 3HG2 THR 107 1.348 -5.443 -17.123 865 3HG2 THR 107 2HG2 THR 107 1.175 -6.985 -17.975 866 H LEU 108 H LEU 108 -2.199 -5.132 -16.073 867 HA LEU 108 HA LEU 108 -4.663 -3.492 -16.466 868 1HB LEU 108 2HB LEU 108 -4.750 -6.430 -15.550 869 2HB LEU 108 1HB LEU 108 -6.086 -5.437 -15.936 870 HG LEU 108 HG LEU 108 -4.132 -5.905 -18.185 871 1HD1 LEU 108 2HD1 LEU 108 -5.925 -8.114 -17.185 872 2HD1 LEU 108 1HD1 LEU 108 -5.075 -8.070 -18.736 873 3HD1 LEU 108 3HD1 LEU 108 -4.159 -8.115 -17.246 874 1HD2 LEU 108 1HD2 LEU 108 -6.171 -4.495 -18.453 875 2HD2 LEU 108 3HD2 LEU 108 -6.180 -5.906 -19.510 876 3HD2 LEU 108 2HD2 LEU 108 -7.174 -5.887 -18.050 877 HA PRO 109 HA PRO 109 -3.762 -3.206 -12.037 878 1HB PRO 109 2HB PRO 109 -5.592 -1.395 -11.227 879 2HB PRO 109 1HB PRO 109 -4.298 -0.983 -12.352 880 1HG PRO 109 2HG PRO 109 -7.153 -1.559 -13.032 881 2HG PRO 109 1HG PRO 109 -6.133 -0.275 -13.685 882 1HD PRO 109 1HD PRO 109 -6.558 -2.734 -15.013 883 2HD PRO 109 2HD PRO 109 -5.140 -1.695 -15.261 884 H CYS 110 H CYS 110 -4.261 -5.331 -11.769 885 HA CYS 110 HA CYS 110 -5.252 -7.210 -10.981 886 1HB CYS 110 2HB CYS 110 -4.835 -5.771 -8.928 887 2HB CYS 110 1HB CYS 110 -6.498 -5.300 -8.972 888 HG CYS 110 HG CYS 110 -5.187 -8.345 -8.052 889 H VAL 111 H VAL 111 -7.874 -7.298 -9.500 890 HA VAL 111 HA VAL 111 -9.878 -6.757 -11.557 891 HB VAL 111 HB VAL 111 -9.455 -9.616 -10.544 892 1HG1 VAL 111 1HG1 VAL 111 -11.856 -9.121 -11.096 893 2HG1 VAL 111 3HG1 VAL 111 -11.365 -8.547 -12.681 894 3HG1 VAL 111 2HG1 VAL 111 -11.153 -10.240 -12.242 895 1HG2 VAL 111 1HG2 VAL 111 -8.772 -8.435 -13.271 896 2HG2 VAL 111 3HG2 VAL 111 -7.666 -9.180 -12.105 897 3HG2 VAL 111 2HG2 VAL 111 -8.863 -10.153 -12.933 898 H ASN 112 H ASN 112 -10.728 -9.182 -9.273 899 HA ASN 112 HA ASN 112 -11.132 -7.667 -6.954 900 1HB ASN 112 2HB ASN 112 -13.699 -7.541 -6.994 901 2HB ASN 112 1HB ASN 112 -12.827 -6.359 -7.927 902 1HD2 ASN 112 2HD2 ASN 112 -15.181 -6.970 -10.391 903 2HD2 ASN 112 1HD2 ASN 112 -14.643 -5.928 -9.124 904 H LEU 113 H LEU 113 -10.886 -8.965 -5.474 905 HA LEU 113 HA LEU 113 -11.602 -11.804 -5.768 906 1HB LEU 113 2HB LEU 113 -9.217 -11.046 -5.309 907 2HB LEU 113 1HB LEU 113 -9.747 -10.281 -3.847 908 HG LEU 113 HG LEU 113 -10.378 -12.497 -2.905 909 1HD1 LEU 113 1HD1 LEU 113 -9.231 -13.648 -5.496 910 2HD1 LEU 113 3HD1 LEU 113 -9.640 -14.587 -4.063 911 3HD1 LEU 113 2HD1 LEU 113 -10.907 -13.770 -4.961 912 1HD2 LEU 113 3HD2 LEU 113 -8.100 -11.521 -2.564 913 2HD2 LEU 113 2HD2 LEU 113 -8.079 -13.286 -2.540 914 3HD2 LEU 113 1HD2 LEU 113 -7.511 -12.414 -3.963 915 H ALA 114 HN ALA 114 -12.800 -12.872 -4.258 916 HA ALA 114 HA ALA 114 -14.792 -11.335 -2.897 917 1HB ALA 114 2HB ALA 114 -15.233 -13.591 -3.868 918 2HB ALA 114 1HB ALA 114 -14.142 -14.333 -2.702 919 3HB ALA 114 3HB ALA 114 -15.641 -13.579 -2.157 No H/Q in entry = 919 Start of MODEL 12 1 1H GLY 1 2H GLY 1 -16.357 16.701 -17.986 2 2H GLY 1 1H GLY 1 -17.028 18.210 -18.398 3 3H GLY 1 3H GLY 1 -17.473 17.439 -16.949 4 1HA GLY 1 2HA GLY 1 -19.196 17.221 -18.544 5 2HA GLY 1 1HA GLY 1 -18.006 16.469 -19.674 6 H SER 2 H SER 2 -20.066 15.005 -19.398 7 HA SER 2 HA SER 2 -19.098 12.688 -18.002 8 1HB SER 2 2HB SER 2 -20.217 13.867 -16.137 9 2HB SER 2 1HB SER 2 -21.579 14.269 -17.038 10 HG SER 2 HG SER 2 -21.724 11.348 -16.730 11 H VAL 3 H VAL 3 -22.323 12.147 -18.139 12 HA VAL 3 HA VAL 3 -23.471 10.675 -19.428 13 HB VAL 3 HB VAL 3 -24.414 11.778 -21.378 14 1HG1 VAL 3 1HG1 VAL 3 -25.201 12.329 -19.091 15 2HG1 VAL 3 3HG1 VAL 3 -24.048 13.652 -18.996 16 3HG1 VAL 3 2HG1 VAL 3 -25.360 13.712 -20.171 17 1HG2 VAL 3 3HG2 VAL 3 -22.322 12.928 -22.277 18 2HG2 VAL 3 2HG2 VAL 3 -23.702 14.005 -22.124 19 3HG2 VAL 3 1HG2 VAL 3 -22.414 14.064 -20.934 20 H ALA 4 H ALA 4 -21.277 9.568 -19.295 21 HA ALA 4 HA ALA 4 -21.031 8.110 -21.767 22 1HB ALA 4 1HB ALA 4 -18.686 9.888 -20.918 23 2HB ALA 4 3HB ALA 4 -18.490 8.488 -21.980 24 3HB ALA 4 2HB ALA 4 -19.513 9.837 -22.452 25 HA PRO 5 HA PRO 5 -18.518 5.815 -18.397 26 1HB PRO 5 2HB PRO 5 -18.296 6.951 -15.835 27 2HB PRO 5 1HB PRO 5 -17.106 7.117 -17.118 28 1HG PRO 5 2HG PRO 5 -19.281 9.041 -16.362 29 2HG PRO 5 1HG PRO 5 -17.597 9.430 -16.727 30 1HD PRO 5 1HD PRO 5 -19.479 9.811 -18.620 31 2HD PRO 5 2HD PRO 5 -17.903 9.142 -19.058 32 H VAL 6 H VAL 6 -19.846 4.275 -18.062 33 HA VAL 6 HA VAL 6 -22.382 4.662 -16.589 34 HB VAL 6 HB VAL 6 -22.466 3.668 -18.826 35 1HG1 VAL 6 1HG1 VAL 6 -20.226 2.547 -18.905 36 2HG1 VAL 6 3HG1 VAL 6 -20.820 1.308 -17.804 37 3HG1 VAL 6 2HG1 VAL 6 -21.535 1.485 -19.394 38 1HG2 VAL 6 3HG2 VAL 6 -24.167 2.980 -17.139 39 2HG2 VAL 6 2HG2 VAL 6 -23.862 1.701 -18.311 40 3HG2 VAL 6 1HG2 VAL 6 -23.175 1.594 -16.694 41 H GLU 7 H GLU 7 -22.539 4.076 -14.588 42 HA GLU 7 HA GLU 7 -22.007 3.428 -12.521 43 1HB GLU 7 2HB GLU 7 -21.968 1.015 -12.151 44 2HB GLU 7 1HB GLU 7 -23.145 1.437 -13.360 45 1HG GLU 7 2HG GLU 7 -21.674 0.620 -15.178 46 2HG GLU 7 1HG GLU 7 -20.351 0.365 -14.057 47 H THR 8 H THR 8 -19.790 4.497 -13.993 48 HA THR 8 HA THR 8 -17.462 3.117 -12.860 49 HB THR 8 HB THR 8 -17.106 5.643 -14.440 50 HG1 THR 8 HG1 THR 8 -18.632 3.540 -15.908 51 1HG2 THR 8 1HG2 THR 8 -15.772 2.894 -14.626 52 2HG2 THR 8 3HG2 THR 8 -15.382 4.300 -15.625 53 3HG2 THR 8 2HG2 THR 8 -15.217 4.371 -13.885 54 H LEU 9 H LEU 9 -16.201 3.827 -11.336 55 HA LEU 9 HA LEU 9 -16.485 6.558 -10.301 56 1HB LEU 9 2HB LEU 9 -18.059 4.576 -9.232 57 2HB LEU 9 1HB LEU 9 -16.680 4.301 -8.237 58 HG LEU 9 HG LEU 9 -18.227 6.904 -8.560 59 1HD1 LEU 9 1HD1 LEU 9 -19.500 5.163 -7.361 60 2HD1 LEU 9 3HD1 LEU 9 -18.172 4.945 -6.224 61 3HD1 LEU 9 2HD1 LEU 9 -19.059 6.467 -6.265 62 1HD2 LEU 9 2HD2 LEU 9 -15.858 7.427 -7.935 63 2HD2 LEU 9 1HD2 LEU 9 -16.960 7.794 -6.621 64 3HD2 LEU 9 3HD2 LEU 9 -15.984 6.336 -6.546 65 H GLU 10 H GLU 10 -15.060 5.420 -7.851 66 HA GLU 10 HA GLU 10 -12.475 4.641 -9.022 67 1HB GLU 10 2HB GLU 10 -12.730 7.235 -8.526 68 2HB GLU 10 1HB GLU 10 -12.502 6.796 -6.857 69 1HG GLU 10 2HG GLU 10 -10.580 6.246 -9.182 70 2HG GLU 10 1HG GLU 10 -10.350 7.432 -7.921 71 H VAL 11 H VAL 11 -13.704 2.854 -8.374 72 HA VAL 11 HA VAL 11 -13.078 2.013 -5.593 73 HB VAL 11 HB VAL 11 -15.106 0.582 -5.689 74 1HG1 VAL 11 2HG1 VAL 11 -15.316 2.843 -4.697 75 2HG1 VAL 11 1HG1 VAL 11 -15.816 3.495 -6.253 76 3HG1 VAL 11 3HG1 VAL 11 -16.825 2.313 -5.431 77 1HG2 VAL 11 1HG2 VAL 11 -15.300 0.238 -8.158 78 2HG2 VAL 11 3HG2 VAL 11 -16.805 0.844 -7.491 79 3HG2 VAL 11 2HG2 VAL 11 -15.740 1.932 -8.374 80 H GLU 12 H GLU 12 -11.617 2.014 -8.114 81 HA GLU 12 HA GLU 12 -11.571 -0.585 -9.275 82 1HB GLU 12 2HB GLU 12 -9.550 1.716 -9.394 83 2HB GLU 12 1HB GLU 12 -9.577 0.344 -10.475 84 1HG GLU 12 2HG GLU 12 -11.905 1.027 -11.231 85 2HG GLU 12 1HG GLU 12 -11.788 2.457 -10.231 86 H LYS 13 H LYS 13 -8.931 -1.243 -9.466 87 HA LYS 13 HA LYS 13 -8.299 -2.098 -6.658 88 1HB LYS 13 2HB LYS 13 -7.757 -3.348 -9.370 89 2HB LYS 13 1HB LYS 13 -6.885 -3.849 -7.956 90 1HG LYS 13 2HG LYS 13 -9.935 -3.952 -8.187 91 2HG LYS 13 1HG LYS 13 -8.851 -5.294 -8.370 92 1HD LYS 13 2HD LYS 13 -8.012 -4.288 -5.934 93 2HD LYS 13 1HD LYS 13 -9.738 -3.984 -5.889 94 1HE LYS 13 1HE LYS 13 -10.197 -6.381 -6.271 95 2HE LYS 13 2HE LYS 13 -8.477 -6.702 -6.534 96 1HZ LYS 13 3HZ LYS 13 -8.048 -6.033 -4.307 97 2HZ LYS 13 2HZ LYS 13 -9.709 -5.765 -4.039 98 3HZ LYS 13 1HZ LYS 13 -9.163 -7.319 -4.405 99 H TRP 14 H TRP 14 -7.013 -0.179 -9.404 100 HA TRP 14 HA TRP 14 -4.369 -0.682 -8.510 101 1HB TRP 14 2HB TRP 14 -3.344 0.627 -9.935 102 2HB TRP 14 1HB TRP 14 -4.744 0.072 -10.770 103 HD1 TRP 14 HD1 TRP 14 -5.750 1.817 -12.304 104 HE1 TRP 14 HE1 TRP 14 -5.541 4.319 -12.615 105 HE3 TRP 14 HE3 TRP 14 -3.200 2.998 -7.999 106 HZ2 TRP 14 HZ2 TRP 14 -4.301 6.568 -11.200 107 HZ3 TRP 14 HZ3 TRP 14 -2.652 5.335 -7.533 108 HH2 TRP 14 HH2 TRP 14 -3.273 7.110 -9.162 109 H PHE 15 H PHE 15 -6.813 1.627 -7.460 110 HA PHE 15 HA PHE 15 -4.861 2.618 -5.440 111 1HB PHE 15 2HB PHE 15 -5.884 4.276 -7.110 112 2HB PHE 15 1HB PHE 15 -7.404 4.067 -6.281 113 HD1 PHE 15 HD2 PHE 15 -3.811 4.868 -5.690 114 HD2 PHE 15 HD1 PHE 15 -7.823 5.364 -4.321 115 HE1 PHE 15 HE2 PHE 15 -3.042 6.561 -4.055 116 HE2 PHE 15 HE1 PHE 15 -7.062 7.045 -2.692 117 HZ PHE 15 HZ PHE 15 -4.666 7.657 -2.568 118 H PHE 16 H PHE 16 -5.086 2.248 -3.447 119 HA PHE 16 HA PHE 16 -7.676 1.656 -2.178 120 1HB PHE 16 2HB PHE 16 -5.182 -0.194 -2.273 121 2HB PHE 16 1HB PHE 16 -6.105 -0.197 -0.829 122 HD1 PHE 16 HD1 PHE 16 -8.790 0.170 -2.995 123 HD2 PHE 16 HD2 PHE 16 -5.651 -2.608 -2.057 124 HE1 PHE 16 HE1 PHE 16 -10.178 -1.642 -3.764 125 HE2 PHE 16 HE2 PHE 16 -7.086 -4.449 -2.844 126 HZ PHE 16 HZ PHE 16 -9.381 -3.955 -3.659 127 H ARG 17 H ARG 17 -7.560 1.689 0.141 128 HA ARG 17 HA ARG 17 -6.193 4.018 1.042 129 1HB ARG 17 2HB ARG 17 -7.764 1.769 2.387 130 2HB ARG 17 1HB ARG 17 -6.824 2.795 3.426 131 1HG ARG 17 2HG ARG 17 -7.956 4.773 2.682 132 2HG ARG 17 1HG ARG 17 -8.918 3.874 1.507 133 1HD ARG 17 2HD ARG 17 -9.921 2.520 3.388 134 2HD ARG 17 1HD ARG 17 -8.964 3.461 4.549 135 HE ARG 17 HE ARG 17 -10.425 5.277 2.981 136 1HH1 ARG 17 1HH2 ARG 17 -10.966 2.669 5.284 137 2HH1 ARG 17 2HH2 ARG 17 -12.447 3.322 5.899 138 1HH2 ARG 17 2HH1 ARG 17 -12.397 6.127 3.812 139 2HH2 ARG 17 1HH1 ARG 17 -13.258 5.292 5.059 140 H THR 18 H THR 18 -5.892 0.886 2.588 141 HA THR 18 HA THR 18 -3.125 0.523 2.109 142 HB THR 18 HB THR 18 -2.425 2.060 3.668 143 HG1 THR 18 HG1 THR 18 -2.608 -0.394 5.343 144 1HG2 THR 18 2HG2 THR 18 -4.984 1.743 5.331 145 2HG2 THR 18 1HG2 THR 18 -3.570 2.754 5.740 146 3HG2 THR 18 3HG2 THR 18 -4.482 3.032 4.284 147 H ILE 19 H ILE 19 -4.267 -1.298 1.400 148 HA ILE 19 HA ILE 19 -5.418 -3.092 3.389 149 HB ILE 19 HB ILE 19 -5.784 -2.972 0.794 150 1HG1 ILE 19 1HG1 ILE 19 -5.549 -5.563 2.199 151 2HG1 ILE 19 2HG1 ILE 19 -6.961 -4.589 1.989 152 1HG2 ILE 19 2HG2 ILE 19 -3.316 -3.149 0.239 153 2HG2 ILE 19 1HG2 ILE 19 -3.468 -4.868 0.643 154 3HG2 ILE 19 3HG2 ILE 19 -4.397 -4.163 -0.692 155 1HD1 ILE 19 2HD1 ILE 19 -6.808 -4.868 -0.523 156 2HD1 ILE 19 1HD1 ILE 19 -5.464 -5.982 -0.310 157 3HD1 ILE 19 3HD1 ILE 19 -7.076 -6.404 0.296 158 H SER 20 H SER 20 -4.246 -5.159 3.888 159 HA SER 20 HA SER 20 -1.485 -4.290 4.489 160 1HB SER 20 2HB SER 20 -2.698 -5.697 6.179 161 2HB SER 20 1HB SER 20 -2.805 -6.982 5.092 162 HG SER 20 HG SER 20 0.096 -6.596 5.690 163 H ARG 21 H ARG 21 0.339 -5.477 3.985 164 HA ARG 21 HA ARG 21 0.938 -5.798 1.361 165 1HB ARG 21 2HB ARG 21 2.543 -5.748 3.366 166 2HB ARG 21 1HB ARG 21 2.340 -7.477 3.511 167 1HG ARG 21 2HG ARG 21 3.214 -7.774 1.191 168 2HG ARG 21 1HG ARG 21 3.391 -6.038 1.040 169 1HD ARG 21 2HD ARG 21 5.568 -7.055 1.602 170 2HD ARG 21 1HD ARG 21 5.035 -6.059 2.960 171 HE ARG 21 HE ARG 21 4.688 -9.016 2.782 172 1HH1 ARG 21 1HH2 ARG 21 5.503 -6.163 4.697 173 2HH1 ARG 21 2HH2 ARG 21 5.771 -7.066 6.153 174 1HH2 ARG 21 2HH1 ARG 21 5.042 -10.151 4.680 175 2HH2 ARG 21 1HH1 ARG 21 5.517 -9.348 6.141 176 H LYS 22 H LYS 22 -0.005 -8.506 3.571 177 HA LYS 22 HA LYS 22 0.366 -10.443 1.475 178 1HB LYS 22 2HB LYS 22 -0.624 -12.103 2.792 179 2HB LYS 22 1HB LYS 22 0.424 -11.163 3.835 180 1HG LYS 22 2HG LYS 22 -2.637 -10.989 3.693 181 2HG LYS 22 1HG LYS 22 -1.713 -11.857 4.897 182 1HD LYS 22 2HD LYS 22 -0.615 -9.722 5.533 183 2HD LYS 22 1HD LYS 22 -1.677 -8.910 4.366 184 1HE LYS 22 1HE LYS 22 -2.550 -8.666 6.702 185 2HE LYS 22 2HE LYS 22 -3.675 -9.540 5.679 186 1HZ LYS 22 1HZ LYS 22 -1.788 -10.742 7.592 187 2HZ LYS 22 3HZ LYS 22 -3.458 -10.524 7.809 188 3HZ LYS 22 2HZ LYS 22 -2.890 -11.585 6.613 189 H ASP 23 H ASP 23 -2.140 -8.262 2.245 190 HA ASP 23 HA ASP 23 -4.236 -9.866 1.136 191 1HB ASP 23 2HB ASP 23 -4.108 -6.923 1.954 192 2HB ASP 23 1HB ASP 23 -5.591 -7.617 1.403 193 H ALA 24 H ALA 24 -2.428 -7.139 0.278 194 HA ALA 24 HA ALA 24 -3.681 -6.533 -2.261 195 1HB ALA 24 2HB ALA 24 -0.945 -5.853 -1.054 196 2HB ALA 24 1HB ALA 24 -1.452 -5.226 -2.632 197 3HB ALA 24 3HB ALA 24 -2.393 -4.860 -1.194 198 H GLU 25 H GLU 25 -0.984 -8.541 -1.221 199 HA GLU 25 HA GLU 25 -0.194 -9.388 -3.799 200 1HB GLU 25 2HB GLU 25 0.274 -10.271 -0.913 201 2HB GLU 25 1HB GLU 25 0.902 -11.219 -2.221 202 1HG GLU 25 2HG GLU 25 2.525 -9.600 -1.204 203 2HG GLU 25 1HG GLU 25 2.404 -9.554 -2.939 204 H ARG 26 H ARG 26 -2.676 -10.408 -1.460 205 HA ARG 26 HA ARG 26 -2.971 -13.003 -2.649 206 1HB ARG 26 2HB ARG 26 -4.787 -13.317 -1.177 207 2HB ARG 26 1HB ARG 26 -3.992 -11.991 -0.403 208 1HG ARG 26 2HG ARG 26 -5.866 -10.642 -1.993 209 2HG ARG 26 1HG ARG 26 -6.655 -12.132 -1.692 210 1HD ARG 26 2HD ARG 26 -5.952 -11.487 0.894 211 2HD ARG 26 1HD ARG 26 -6.080 -9.867 0.173 212 HE ARG 26 HE ARG 26 -8.359 -11.304 -0.613 213 1HH1 ARG 26 1HH2 ARG 26 -6.805 -10.104 2.328 214 2HH1 ARG 26 2HH2 ARG 26 -8.298 -9.844 3.155 215 1HH2 ARG 26 2HH1 ARG 26 -10.309 -10.939 0.517 216 2HH2 ARG 26 1HH1 ARG 26 -10.273 -10.340 2.141 217 H GLN 27 H GLN 27 -4.089 -9.857 -3.254 218 HA GLN 27 HA GLN 27 -6.086 -10.495 -5.165 219 1HB GLN 27 2HB GLN 27 -4.685 -7.855 -4.734 220 2HB GLN 27 1HB GLN 27 -6.046 -8.057 -5.814 221 1HG GLN 27 2HG GLN 27 -6.050 -8.814 -2.900 222 2HG GLN 27 1HG GLN 27 -6.730 -7.306 -3.491 223 1HE2 GLN 27 2HE2 GLN 27 -9.196 -10.186 -2.914 224 2HE2 GLN 27 1HE2 GLN 27 -7.850 -9.606 -2.004 225 H LEU 28 H LEU 28 -2.639 -9.305 -5.613 226 HA LEU 28 HA LEU 28 -3.050 -9.492 -8.454 227 1HB LEU 28 2HB LEU 28 -0.548 -8.866 -6.920 228 2HB LEU 28 1HB LEU 28 -0.722 -8.655 -8.659 229 HG LEU 28 HG LEU 28 -2.535 -7.329 -6.644 230 1HD1 LEU 28 1HD1 LEU 28 -0.153 -6.615 -6.464 231 2HD1 LEU 28 3HD1 LEU 28 -0.172 -6.179 -8.170 232 3HD1 LEU 28 2HD1 LEU 28 -1.201 -5.316 -7.022 233 1HD2 LEU 28 3HD2 LEU 28 -2.150 -6.975 -9.632 234 2HD2 LEU 28 2HD2 LEU 28 -3.601 -7.569 -8.887 235 3HD2 LEU 28 1HD2 LEU 28 -3.138 -5.902 -8.663 236 H LEU 29 H LEU 29 -1.582 -11.698 -5.975 237 HA LEU 29 HA LEU 29 -0.460 -13.400 -7.941 238 1HB LEU 29 2HB LEU 29 -1.374 -13.890 -5.090 239 2HB LEU 29 1HB LEU 29 -0.501 -15.074 -6.014 240 HG LEU 29 HG LEU 29 0.624 -12.265 -5.546 241 1HD1 LEU 29 1HD1 LEU 29 0.127 -13.305 -3.406 242 2HD1 LEU 29 3HD1 LEU 29 1.080 -14.727 -3.838 243 3HD1 LEU 29 2HD1 LEU 29 1.866 -13.148 -3.666 244 1HD2 LEU 29 1HD2 LEU 29 1.855 -14.929 -6.525 245 2HD2 LEU 29 3HD2 LEU 29 1.811 -13.382 -7.353 246 3HD2 LEU 29 2HD2 LEU 29 2.787 -13.566 -5.914 247 H ALA 30 H ALA 30 -3.721 -12.722 -7.130 248 HA ALA 30 HA ALA 30 -4.938 -15.245 -7.445 249 1HB ALA 30 3HB ALA 30 -6.052 -13.049 -6.666 250 2HB ALA 30 2HB ALA 30 -6.077 -12.529 -8.351 251 3HB ALA 30 1HB ALA 30 -6.999 -13.931 -7.850 252 HA PRO 31 HA PRO 31 -4.493 -16.068 -11.768 253 1HB PRO 31 2HB PRO 31 -6.735 -17.638 -12.257 254 2HB PRO 31 1HB PRO 31 -5.356 -18.160 -11.298 255 1HG PRO 31 2HG PRO 31 -7.924 -16.984 -10.259 256 2HG PRO 31 1HG PRO 31 -7.089 -18.437 -9.668 257 1HD PRO 31 1HD PRO 31 -6.847 -16.068 -8.409 258 2HD PRO 31 2HD PRO 31 -5.452 -17.165 -8.559 259 H MET 32 H MET 32 -6.664 -13.750 -10.676 260 HA MET 32 HA MET 32 -8.414 -13.418 -12.771 261 1HB MET 32 2HB MET 32 -7.248 -11.670 -10.569 262 2HB MET 32 1HB MET 32 -8.622 -11.233 -11.512 263 1HG MET 32 2HG MET 32 -9.724 -13.461 -10.706 264 2HG MET 32 1HG MET 32 -8.437 -13.538 -9.539 265 1HE MET 32 1HE MET 32 -7.779 -11.043 -8.348 266 2HE MET 32 3HE MET 32 -9.034 -10.508 -7.233 267 3HE MET 32 2HE MET 32 -8.489 -12.202 -7.217 268 H ASN 33 H ASN 33 -5.147 -12.221 -12.089 269 HA ASN 33 HA ASN 33 -4.969 -11.122 -14.818 270 1HB ASN 33 2HB ASN 33 -4.317 -9.435 -12.334 271 2HB ASN 33 1HB ASN 33 -4.049 -8.925 -14.009 272 1HD2 ASN 33 2HD2 ASN 33 -7.154 -7.559 -14.397 273 2HD2 ASN 33 1HD2 ASN 33 -5.510 -7.715 -14.920 274 H LYS 34 H LYS 34 -2.466 -9.739 -14.287 275 HA LYS 34 HA LYS 34 -0.519 -11.558 -13.303 276 1HB LYS 34 2HB LYS 34 0.543 -11.968 -15.670 277 2HB LYS 34 1HB LYS 34 -0.855 -12.885 -15.245 278 1HG LYS 34 2HG LYS 34 -1.104 -12.144 -17.515 279 2HG LYS 34 1HG LYS 34 -2.332 -11.387 -16.555 280 1HD LYS 34 2HD LYS 34 -0.893 -9.277 -16.497 281 2HD LYS 34 1HD LYS 34 0.239 -10.075 -17.553 282 1HE LYS 34 1HE LYS 34 -1.152 -8.753 -18.995 283 2HE LYS 34 2HE LYS 34 -1.758 -10.393 -19.195 284 1HZ LYS 34 2HZ LYS 34 -3.419 -9.815 -17.473 285 2HZ LYS 34 1HZ LYS 34 -2.853 -8.209 -17.581 286 3HZ LYS 34 3HZ LYS 34 -3.555 -8.956 -18.931 287 H ALA 35 H ALA 35 1.772 -10.795 -14.413 288 HA ALA 35 HA ALA 35 2.588 -8.511 -13.433 289 1HB ALA 35 2HB ALA 35 3.430 -9.753 -16.084 290 2HB ALA 35 1HB ALA 35 4.297 -8.407 -15.346 291 3HB ALA 35 3HB ALA 35 4.172 -9.916 -14.489 292 H GLY 36 H GLY 36 1.991 -6.521 -13.392 293 1HA GLY 36 2HA GLY 36 1.885 -4.476 -14.601 294 2HA GLY 36 1HA GLY 36 0.768 -5.246 -15.783 295 H SER 37 H SER 37 -0.975 -6.623 -14.119 296 HA SER 37 HA SER 37 -2.656 -4.749 -13.037 297 1HB SER 37 1HB SER 37 -3.537 -6.616 -11.465 298 2HB SER 37 2HB SER 37 -3.726 -6.890 -13.085 299 HG SER 37 HG SER 37 -1.236 -8.273 -12.437 300 H PHE 38 H PHE 38 -2.720 -3.487 -11.265 301 HA PHE 38 HA PHE 38 -0.690 -3.977 -9.137 302 1HB PHE 38 2HB PHE 38 -1.906 -1.199 -9.969 303 2HB PHE 38 1HB PHE 38 -0.741 -1.453 -8.721 304 HD1 PHE 38 HD1 PHE 38 0.893 -3.240 -11.008 305 HD2 PHE 38 HD2 PHE 38 -0.524 0.702 -10.252 306 HE1 PHE 38 HE1 PHE 38 2.912 -2.270 -12.105 307 HE2 PHE 38 HE2 PHE 38 1.471 1.662 -11.302 308 HZ PHE 38 HZ PHE 38 3.207 0.170 -12.213 309 H LEU 39 H LEU 39 -1.058 -2.713 -7.468 310 HA LEU 39 HA LEU 39 -3.459 -2.017 -5.980 311 1HB LEU 39 2HB LEU 39 -1.074 -3.819 -5.404 312 2HB LEU 39 1HB LEU 39 -1.587 -2.861 -4.089 313 HG LEU 39 HG LEU 39 -2.405 -5.281 -4.323 314 1HD1 LEU 39 1HD1 LEU 39 -2.944 -3.431 -2.690 315 2HD1 LEU 39 3HD1 LEU 39 -4.185 -2.876 -3.753 316 3HD1 LEU 39 2HD1 LEU 39 -4.381 -4.464 -2.961 317 1HD2 LEU 39 3HD2 LEU 39 -3.460 -5.201 -6.557 318 2HD2 LEU 39 2HD2 LEU 39 -4.570 -5.605 -5.251 319 3HD2 LEU 39 1HD2 LEU 39 -4.622 -3.990 -5.975 320 H ILE 40 H ILE 40 -2.977 -0.120 -4.660 321 HA ILE 40 HA ILE 40 -0.080 0.473 -4.414 322 HB ILE 40 HB ILE 40 -1.468 1.645 -6.588 323 1HG1 ILE 40 1HG1 ILE 40 0.448 3.563 -5.225 324 2HG1 ILE 40 2HG1 ILE 40 1.069 1.994 -5.660 325 1HG2 ILE 40 3HG2 ILE 40 -1.502 3.697 -4.354 326 2HG2 ILE 40 1HG2 ILE 40 -1.823 4.008 -6.025 327 3HG2 ILE 40 2HG2 ILE 40 -2.936 2.965 -5.098 328 1HD1 ILE 40 3HD1 ILE 40 -0.067 2.400 -8.091 329 2HD1 ILE 40 2HD1 ILE 40 -0.211 4.023 -7.529 330 3HD1 ILE 40 1HD1 ILE 40 1.389 3.264 -7.666 331 H ARG 41 H ARG 41 -0.365 -0.204 -2.335 332 HA ARG 41 HA ARG 41 -2.594 0.876 -0.777 333 1HB ARG 41 2HB ARG 41 -2.396 -1.026 0.467 334 2HB ARG 41 1HB ARG 41 -1.886 -1.589 -1.068 335 1HG ARG 41 2HG ARG 41 -0.317 -2.571 0.279 336 2HG ARG 41 1HG ARG 41 0.591 -1.142 -0.154 337 1HD ARG 41 2HD ARG 41 0.207 -0.141 2.017 338 2HD ARG 41 1HD ARG 41 -1.179 -1.125 2.336 339 HE ARG 41 HE ARG 41 1.154 -2.762 2.050 340 1HH1 ARG 41 1HH2 ARG 41 -0.476 -0.495 4.224 341 2HH1 ARG 41 2HH2 ARG 41 0.033 -1.299 5.662 342 1HH2 ARG 41 2HH1 ARG 41 1.853 -3.771 3.960 343 2HH2 ARG 41 1HH1 ARG 41 1.384 -3.163 5.514 344 H GLU 42 H GLU 42 -2.319 2.123 1.123 345 HA GLU 42 HA GLU 42 0.044 3.691 0.869 346 1HB GLU 42 2HB GLU 42 -0.682 5.381 2.068 347 2HB GLU 42 1HB GLU 42 -2.163 4.744 1.453 348 1HG GLU 42 2HG GLU 42 -2.950 4.105 3.503 349 2HG GLU 42 1HG GLU 42 -1.384 3.896 4.255 350 H SER 43 H SER 43 1.434 4.423 2.541 351 HA SER 43 HA SER 43 2.359 2.186 4.232 352 1HB SER 43 2HB SER 43 4.081 3.646 2.874 353 2HB SER 43 1HB SER 43 3.401 4.991 3.385 354 HG SER 43 HG SER 43 4.557 3.916 5.837 355 H GLU 44 H GLU 44 0.706 2.103 5.663 356 HA GLU 44 HA GLU 44 -0.812 4.112 6.641 357 1HB GLU 44 2HB GLU 44 -1.222 2.506 8.704 358 2HB GLU 44 1HB GLU 44 -1.785 2.199 7.107 359 1HG GLU 44 2HG GLU 44 0.216 0.690 6.681 360 2HG GLU 44 1HG GLU 44 0.734 0.968 8.329 361 H SER 45 H SER 45 2.462 3.931 7.476 362 HA SER 45 HA SER 45 2.465 5.000 10.129 363 1HB SER 45 2HB SER 45 4.881 5.405 9.562 364 2HB SER 45 1HB SER 45 4.375 3.839 9.192 365 HG SER 45 HG SER 45 4.212 5.449 6.670 366 H ASN 46 H ASN 46 2.456 6.319 6.872 367 HA ASN 46 HA ASN 46 2.748 9.144 7.760 368 1HB ASN 46 2HB ASN 46 3.294 9.414 5.188 369 2HB ASN 46 1HB ASN 46 4.567 8.753 6.119 370 1HD2 ASN 46 2HD2 ASN 46 2.337 6.356 3.678 371 2HD2 ASN 46 1HD2 ASN 46 1.673 7.773 4.342 372 H LYS 47 H LYS 47 1.556 10.718 6.636 373 HA LYS 47 HA LYS 47 -1.020 9.776 5.641 374 1HB LYS 47 2HB LYS 47 -1.736 12.196 6.145 375 2HB LYS 47 1HB LYS 47 -1.373 11.167 7.514 376 1HG LYS 47 2HG LYS 47 0.882 12.637 6.358 377 2HG LYS 47 1HG LYS 47 -0.293 13.628 7.194 378 1HD LYS 47 2HD LYS 47 0.098 12.615 9.302 379 2HD LYS 47 1HD LYS 47 0.602 11.104 8.602 380 1HE LYS 47 1HE LYS 47 2.688 12.208 7.753 381 2HE LYS 47 2HE LYS 47 2.246 13.657 8.655 382 1HZ LYS 47 2HZ LYS 47 2.229 12.296 10.662 383 2HZ LYS 47 1HZ LYS 47 2.750 10.961 9.750 384 3HZ LYS 47 3HZ LYS 47 3.748 12.329 9.908 385 H GLY 48 H GLY 48 0.282 9.131 3.721 386 1HA GLY 48 2HA GLY 48 -0.537 10.365 1.550 387 2HA GLY 48 1HA GLY 48 0.836 11.457 1.928 388 H ALA 49 H ALA 49 1.957 8.743 2.895 389 HA ALA 49 HA ALA 49 3.425 8.285 0.318 390 1HB ALA 49 3HB ALA 49 4.559 8.341 2.975 391 2HB ALA 49 2HB ALA 49 4.555 6.635 2.514 392 3HB ALA 49 1HB ALA 49 5.356 7.814 1.500 393 H PHE 50 H PHE 50 3.625 6.292 -0.635 394 HA PHE 50 HA PHE 50 1.731 4.259 0.318 395 1HB PHE 50 2HB PHE 50 1.885 5.501 -2.488 396 2HB PHE 50 1HB PHE 50 1.236 3.921 -2.308 397 HD1 PHE 50 HD2 PHE 50 0.790 7.348 -0.860 398 HD2 PHE 50 HD1 PHE 50 -1.003 3.651 -1.953 399 HE1 PHE 50 HE2 PHE 50 -1.402 8.228 -0.190 400 HE2 PHE 50 HE1 PHE 50 -3.222 4.568 -1.401 401 HZ PHE 50 HZ PHE 50 -3.430 6.862 -0.518 402 H SER 51 H SER 51 1.933 2.425 -1.475 403 HA SER 51 HA SER 51 4.662 1.499 -1.904 404 1HB SER 51 2HB SER 51 2.737 -0.717 -1.013 405 2HB SER 51 1HB SER 51 4.369 -0.532 -0.735 406 HG SER 51 HG SER 51 2.852 1.337 1.054 407 H LEU 52 H LEU 52 4.555 -0.388 -3.580 408 HA LEU 52 HA LEU 52 1.900 -0.503 -4.957 409 1HB LEU 52 2HB LEU 52 3.295 1.424 -5.983 410 2HB LEU 52 1HB LEU 52 4.667 0.375 -6.088 411 HG LEU 52 HG LEU 52 3.485 -1.003 -7.811 412 1HD1 LEU 52 3HD1 LEU 52 1.209 0.417 -6.902 413 2HD1 LEU 52 2HD1 LEU 52 1.448 0.928 -8.542 414 3HD1 LEU 52 1HD1 LEU 52 1.285 -0.799 -8.166 415 1HD2 LEU 52 2HD2 LEU 52 4.984 0.874 -8.615 416 2HD2 LEU 52 1HD2 LEU 52 3.649 0.533 -9.706 417 3HD2 LEU 52 3HD2 LEU 52 3.574 1.948 -8.680 418 H SER 53 H SER 53 1.367 -2.344 -5.127 419 HA SER 53 HA SER 53 3.332 -4.509 -5.426 420 1HB SER 53 2HB SER 53 0.435 -5.239 -5.024 421 2HB SER 53 1HB SER 53 1.841 -5.950 -4.511 422 HG SER 53 HG SER 53 1.408 -3.449 -2.897 423 H VAL 54 H VAL 54 3.581 -5.483 -7.147 424 HA VAL 54 HA VAL 54 1.553 -5.366 -9.357 425 HB VAL 54 HB VAL 54 4.560 -5.094 -9.836 426 1HG1 VAL 54 1HG1 VAL 54 2.245 -4.655 -11.753 427 2HG1 VAL 54 3HG1 VAL 54 3.949 -4.341 -12.097 428 3HG1 VAL 54 2HG1 VAL 54 3.385 -5.963 -11.794 429 1HG2 VAL 54 3HG2 VAL 54 2.551 -2.889 -9.349 430 2HG2 VAL 54 2HG2 VAL 54 4.137 -3.119 -8.649 431 3HG2 VAL 54 1HG2 VAL 54 4.022 -2.652 -10.330 432 H LYS 55 H LYS 55 1.758 -7.436 -10.801 433 HA LYS 55 HA LYS 55 2.740 -9.631 -9.132 434 1HB LYS 55 2HB LYS 55 0.724 -9.647 -10.326 435 2HB LYS 55 1HB LYS 55 1.585 -9.462 -11.848 436 1HG LYS 55 2HG LYS 55 1.732 -11.658 -12.065 437 2HG LYS 55 1HG LYS 55 2.592 -11.848 -10.552 438 1HD LYS 55 2HD LYS 55 0.395 -11.834 -9.361 439 2HD LYS 55 1HD LYS 55 -0.414 -11.620 -10.910 440 1HE LYS 55 1HE LYS 55 -0.612 -13.961 -10.423 441 2HE LYS 55 2HE LYS 55 0.656 -13.845 -11.639 442 1HZ LYS 55 2HZ LYS 55 2.249 -13.856 -9.768 443 2HZ LYS 55 1HZ LYS 55 0.958 -14.209 -8.726 444 3HZ LYS 55 3HZ LYS 55 1.360 -15.279 -9.987 445 H ASP 56 H ASP 56 5.283 -10.045 -9.083 446 HA ASP 56 HA ASP 56 6.450 -9.715 -11.767 447 1HB ASP 56 2HB ASP 56 7.886 -8.745 -10.291 448 2HB ASP 56 1HB ASP 56 7.737 -9.937 -9.061 449 H ILE 57 H ILE 57 6.574 -11.186 -13.165 450 HA ILE 57 HA ILE 57 5.884 -13.954 -12.416 451 HB ILE 57 HB ILE 57 6.537 -12.667 -15.097 452 1HG1 ILE 57 1HG1 ILE 57 4.478 -11.819 -15.112 453 2HG1 ILE 57 2HG1 ILE 57 3.925 -13.436 -15.376 454 1HG2 ILE 57 3HG2 ILE 57 7.003 -15.124 -15.179 455 2HG2 ILE 57 2HG2 ILE 57 5.346 -15.411 -14.619 456 3HG2 ILE 57 1HG2 ILE 57 5.641 -14.683 -16.199 457 1HD1 ILE 57 2HD1 ILE 57 3.819 -13.679 -12.878 458 2HD1 ILE 57 1HD1 ILE 57 4.012 -11.923 -12.808 459 3HD1 ILE 57 3HD1 ILE 57 2.621 -12.639 -13.657 460 H THR 58 H THR 58 7.277 -15.426 -11.960 461 HA THR 58 HA THR 58 10.060 -15.231 -12.967 462 HB THR 58 HB THR 58 10.067 -14.296 -10.750 463 HG1 THR 58 HG1 THR 58 11.354 -16.978 -10.531 464 1HG2 THR 58 3HG2 THR 58 8.285 -16.579 -9.806 465 2HG2 THR 58 2HG2 THR 58 9.160 -15.507 -8.690 466 3HG2 THR 58 1HG2 THR 58 8.021 -14.863 -9.830 467 H THR 59 H THR 59 11.290 -17.185 -12.422 468 HA THR 59 HA THR 59 9.724 -19.529 -13.274 469 HB THR 59 HB THR 59 11.596 -19.097 -14.583 470 HG1 THR 59 HG1 THR 59 12.209 -21.606 -13.067 471 1HG2 THR 59 2HG2 THR 59 13.464 -18.861 -12.138 472 2HG2 THR 59 1HG2 THR 59 13.985 -18.966 -13.808 473 3HG2 THR 59 3HG2 THR 59 12.968 -17.666 -13.326 474 H GLN 60 H GLN 60 10.453 -18.306 -10.267 475 HA GLN 60 HA GLN 60 10.574 -21.059 -9.147 476 1HB GLN 60 2HB GLN 60 12.123 -18.715 -8.002 477 2HB GLN 60 1HB GLN 60 11.968 -20.257 -7.307 478 1HG GLN 60 2HG GLN 60 13.125 -20.035 -10.118 479 2HG GLN 60 1HG GLN 60 14.113 -19.752 -8.708 480 1HE2 GLN 60 2HE2 GLN 60 13.100 -23.521 -9.844 481 2HE2 GLN 60 1HE2 GLN 60 12.554 -22.114 -10.684 482 H GLY 61 H GLY 61 8.280 -20.274 -9.561 483 1HA GLY 61 2HA GLY 61 6.255 -20.158 -8.454 484 2HA GLY 61 1HA GLY 61 7.136 -19.787 -6.909 485 H GLU 62 H GLU 62 5.254 -18.596 -9.431 486 HA GLU 62 HA GLU 62 5.982 -16.031 -10.048 487 1HB GLU 62 2HB GLU 62 3.900 -17.650 -10.608 488 2HB GLU 62 1HB GLU 62 3.074 -16.658 -9.404 489 1HG GLU 62 2HG GLU 62 3.545 -14.599 -10.752 490 2HG GLU 62 1HG GLU 62 4.571 -15.534 -11.798 491 H VAL 63 H VAL 63 5.692 -13.888 -9.094 492 HA VAL 63 HA VAL 63 4.797 -13.879 -6.269 493 HB VAL 63 HB VAL 63 6.703 -12.501 -5.692 494 1HG1 VAL 63 1HG1 VAL 63 7.001 -14.957 -5.561 495 2HG1 VAL 63 3HG1 VAL 63 7.787 -14.908 -7.137 496 3HG1 VAL 63 2HG1 VAL 63 8.504 -14.060 -5.781 497 1HG2 VAL 63 3HG2 VAL 63 6.929 -11.407 -8.026 498 2HG2 VAL 63 2HG2 VAL 63 8.427 -11.776 -7.205 499 3HG2 VAL 63 1HG2 VAL 63 7.859 -12.813 -8.507 500 H VAL 64 H VAL 64 5.381 -11.311 -5.864 501 HA VAL 64 HA VAL 64 4.051 -9.539 -7.715 502 HB VAL 64 HB VAL 64 3.279 -10.257 -4.910 503 1HG1 VAL 64 2HG1 VAL 64 2.773 -7.542 -6.140 504 2HG1 VAL 64 1HG1 VAL 64 1.809 -8.232 -4.843 505 3HG1 VAL 64 3HG1 VAL 64 3.521 -7.845 -4.550 506 1HG2 VAL 64 1HG2 VAL 64 1.962 -11.041 -6.966 507 2HG2 VAL 64 3HG2 VAL 64 1.025 -10.093 -5.793 508 3HG2 VAL 64 2HG2 VAL 64 1.603 -9.330 -7.252 509 H LYS 65 H LYS 65 4.618 -7.239 -6.441 510 HA LYS 65 HA LYS 65 7.352 -7.290 -5.501 511 1HB LYS 65 2HB LYS 65 7.161 -5.078 -7.490 512 2HB LYS 65 1HB LYS 65 8.542 -5.743 -6.695 513 1HG LYS 65 2HG LYS 65 8.698 -6.697 -8.835 514 2HG LYS 65 1HG LYS 65 8.024 -7.963 -7.904 515 1HD LYS 65 2HD LYS 65 6.152 -7.961 -9.018 516 2HD LYS 65 1HD LYS 65 5.827 -6.356 -8.547 517 1HE LYS 65 1HE LYS 65 6.642 -5.374 -10.578 518 2HE LYS 65 2HE LYS 65 7.702 -6.720 -10.942 519 1HZ LYS 65 3HZ LYS 65 4.791 -6.831 -11.103 520 2HZ LYS 65 2HZ LYS 65 5.850 -6.528 -12.402 521 3HZ LYS 65 1HZ LYS 65 5.895 -8.020 -11.606 522 H HIS 66 H HIS 66 8.008 -4.770 -5.124 523 HA HIS 66 HA HIS 66 5.772 -3.267 -3.902 524 1HB HIS 66 2HB HIS 66 8.340 -4.087 -2.376 525 2HB HIS 66 1HB HIS 66 7.032 -3.113 -1.755 526 HD1 HIS 66 HD1 HIS 66 8.150 -6.562 -2.121 527 HD2 HIS 66 HD2 HIS 66 4.499 -4.592 -1.440 528 HE1 HIS 66 HE1 HIS 66 6.517 -8.285 -1.213 529 H TYR 67 H TYR 67 6.113 -1.212 -4.835 530 HA TYR 67 HA TYR 67 8.946 -0.207 -4.924 531 1HB TYR 67 2HB TYR 67 6.614 0.796 -6.659 532 2HB TYR 67 1HB TYR 67 8.244 1.366 -6.645 533 HD1 TYR 67 HD1 TYR 67 6.197 -1.640 -7.385 534 HD2 TYR 67 HD2 TYR 67 9.971 0.314 -7.816 535 HE1 TYR 67 HE1 TYR 67 6.786 -3.245 -9.066 536 HE2 TYR 67 HE2 TYR 67 10.628 -1.194 -9.518 537 HH TYR 67 HH TYR 67 9.605 -4.025 -10.221 538 H LYS 68 H LYS 68 9.467 1.620 -3.907 539 HA LYS 68 HA LYS 68 7.468 2.625 -2.024 540 1HB LYS 68 2HB LYS 68 9.103 3.431 -0.666 541 2HB LYS 68 1HB LYS 68 9.713 1.933 -1.286 542 1HG LYS 68 2HG LYS 68 11.607 3.179 -1.636 543 2HG LYS 68 1HG LYS 68 10.778 3.487 -3.138 544 1HD LYS 68 2HD LYS 68 11.385 5.659 -2.525 545 2HD LYS 68 1HD LYS 68 9.760 5.596 -1.894 546 1HE LYS 68 1HE LYS 68 12.232 5.011 -0.180 547 2HE LYS 68 2HE LYS 68 11.519 6.607 -0.345 548 1HZ LYS 68 2HZ LYS 68 9.471 5.778 0.521 549 2HZ LYS 68 1HZ LYS 68 10.145 4.232 0.687 550 3HZ LYS 68 3HZ LYS 68 10.750 5.519 1.605 551 H ILE 69 H ILE 69 6.247 4.104 -2.419 552 HA ILE 69 HA ILE 69 6.862 6.319 -4.219 553 HB ILE 69 HB ILE 69 4.253 6.483 -3.925 554 1HG1 ILE 69 1HG1 ILE 69 4.861 3.539 -3.933 555 2HG1 ILE 69 2HG1 ILE 69 3.886 4.502 -2.854 556 1HG2 ILE 69 2HG2 ILE 69 5.640 6.849 -5.983 557 2HG2 ILE 69 1HG2 ILE 69 5.227 5.169 -6.384 558 3HG2 ILE 69 3HG2 ILE 69 3.960 6.366 -6.075 559 1HD1 ILE 69 1HD1 ILE 69 3.351 4.123 -5.819 560 2HD1 ILE 69 3HD1 ILE 69 2.604 3.136 -4.564 561 3HD1 ILE 69 2HD1 ILE 69 2.295 4.884 -4.592 562 H ARG 70 H ARG 70 7.740 7.893 -3.049 563 HA ARG 70 HA ARG 70 6.698 8.621 -0.388 564 1HB ARG 70 2HB ARG 70 8.872 9.610 -2.276 565 2HB ARG 70 1HB ARG 70 8.260 10.679 -1.057 566 1HG ARG 70 2HG ARG 70 8.691 8.358 0.430 567 2HG ARG 70 1HG ARG 70 10.009 8.320 -0.720 568 1HD ARG 70 2HD ARG 70 10.269 10.901 -0.122 569 2HD ARG 70 1HD ARG 70 9.241 10.504 1.238 570 HE ARG 70 HE ARG 70 12.050 9.856 0.887 571 1HH1 ARG 70 1HH2 ARG 70 9.090 8.912 2.563 572 2HH1 ARG 70 2HH2 ARG 70 9.926 8.223 3.913 573 1HH2 ARG 70 2HH1 ARG 70 13.112 8.942 2.674 574 2HH2 ARG 70 1HH1 ARG 70 12.212 8.243 3.976 575 H SER 71 H SER 71 5.865 10.757 -0.072 576 HA SER 71 HA SER 71 4.364 11.709 -2.467 577 1HB SER 71 2HB SER 71 2.619 12.532 -0.775 578 2HB SER 71 1HB SER 71 2.701 10.882 -1.070 579 HG SER 71 HG SER 71 4.292 11.291 1.382 580 H LEU 72 H LEU 72 5.161 13.576 -3.204 581 HA LEU 72 HA LEU 72 6.462 15.395 -1.318 582 1HB LEU 72 2HB LEU 72 6.613 15.543 -4.349 583 2HB LEU 72 1HB LEU 72 7.759 16.098 -3.172 584 HG LEU 72 HG LEU 72 8.739 14.307 -4.068 585 1HD1 LEU 72 2HD1 LEU 72 8.379 14.384 -1.447 586 2HD1 LEU 72 1HD1 LEU 72 7.682 12.790 -1.707 587 3HD1 LEU 72 3HD1 LEU 72 9.330 13.124 -2.185 588 1HD2 LEU 72 3HD2 LEU 72 6.286 13.455 -4.961 589 2HD2 LEU 72 2HD2 LEU 72 7.717 12.488 -5.098 590 3HD2 LEU 72 1HD2 LEU 72 6.620 12.216 -3.753 591 H ASP 73 H ASP 73 5.863 17.293 -1.061 592 HA ASP 73 HA ASP 73 3.170 18.112 -1.744 593 1HB ASP 73 2HB ASP 73 3.844 20.339 -0.692 594 2HB ASP 73 1HB ASP 73 4.112 18.957 0.351 595 H ASN 74 H ASN 74 6.327 18.689 -2.992 596 HA ASN 74 HA ASN 74 5.325 20.555 -5.053 597 1HB ASN 74 2HB ASN 74 7.769 21.132 -5.292 598 2HB ASN 74 1HB ASN 74 7.206 21.319 -3.643 599 1HD2 ASN 74 2HD2 ASN 74 9.999 18.488 -4.662 600 2HD2 ASN 74 1HD2 ASN 74 9.097 19.353 -5.857 601 H GLY 75 H GLY 75 5.584 17.357 -4.836 602 1HA GLY 75 2HA GLY 75 5.987 17.108 -7.743 603 2HA GLY 75 1HA GLY 75 7.303 16.381 -6.767 604 H GLY 76 H GLY 76 4.043 16.218 -5.602 605 1HA GLY 76 2HA GLY 76 2.464 14.596 -5.475 606 2HA GLY 76 1HA GLY 76 3.041 14.070 -7.068 607 H TYR 77 H TYR 77 4.727 12.514 -7.282 608 HA TYR 77 HA TYR 77 5.346 10.932 -4.954 609 1HB TYR 77 2HB TYR 77 3.777 9.520 -7.229 610 2HB TYR 77 1HB TYR 77 4.556 8.750 -5.879 611 HD1 TYR 77 HD1 TYR 77 1.862 10.947 -6.836 612 HD2 TYR 77 HD2 TYR 77 3.603 8.732 -3.689 613 HE1 TYR 77 HE1 TYR 77 -0.196 11.253 -5.633 614 HE2 TYR 77 HE2 TYR 77 1.682 9.011 -2.324 615 HH TYR 77 HH TYR 77 -1.246 9.543 -3.168 616 H TYR 78 H TYR 78 7.016 9.817 -5.090 617 HA TYR 78 HA TYR 78 8.294 9.459 -7.774 618 1HB TYR 78 2HB TYR 78 10.268 10.511 -7.343 619 2HB TYR 78 1HB TYR 78 9.161 11.570 -6.554 620 HD1 TYR 78 HD1 TYR 78 11.599 8.879 -6.049 621 HD2 TYR 78 HD2 TYR 78 9.524 12.072 -4.128 622 HE1 TYR 78 HE1 TYR 78 13.126 8.689 -4.309 623 HE2 TYR 78 HE2 TYR 78 11.057 11.961 -2.289 624 HH TYR 78 HH TYR 78 12.934 9.535 -1.377 625 H ILE 79 H ILE 79 9.226 7.661 -8.180 626 HA ILE 79 HA ILE 79 9.602 5.654 -6.054 627 HB ILE 79 HB ILE 79 9.624 4.006 -8.148 628 1HG1 ILE 79 1HG1 ILE 79 7.679 6.241 -8.862 629 2HG1 ILE 79 2HG1 ILE 79 9.008 5.671 -9.837 630 1HG2 ILE 79 1HG2 ILE 79 7.290 4.806 -6.424 631 2HG2 ILE 79 3HG2 ILE 79 7.387 3.305 -7.362 632 3HG2 ILE 79 2HG2 ILE 79 8.523 3.603 -6.089 633 1HD1 ILE 79 2HD1 ILE 79 6.554 3.946 -9.099 634 2HD1 ILE 79 1HD1 ILE 79 6.670 4.910 -10.510 635 3HD1 ILE 79 3HD1 ILE 79 7.798 3.558 -10.288 636 H SER 80 H SER 80 11.203 7.632 -8.072 637 HA SER 80 HA SER 80 13.647 6.979 -6.890 638 1HB SER 80 2HB SER 80 13.277 5.410 -9.094 639 2HB SER 80 1HB SER 80 13.342 6.819 -9.954 640 HG SER 80 HG SER 80 16.032 6.283 -8.730 641 HA PRO 81 HA PRO 81 12.886 11.230 -6.936 642 1HB PRO 81 2HB PRO 81 15.651 12.141 -6.776 643 2HB PRO 81 1HB PRO 81 14.340 12.133 -5.566 644 1HG PRO 81 2HG PRO 81 16.539 10.446 -5.451 645 2HG PRO 81 1HG PRO 81 14.970 10.093 -4.711 646 1HD PRO 81 1HD PRO 81 16.096 9.134 -7.281 647 2HD PRO 81 2HD PRO 81 15.126 8.213 -6.083 648 H ARG 82 H ARG 82 14.930 10.227 -9.517 649 HA ARG 82 HA ARG 82 14.675 12.833 -10.878 650 1HB ARG 82 2HB ARG 82 16.083 12.018 -12.593 651 2HB ARG 82 1HB ARG 82 16.775 11.588 -11.061 652 1HG ARG 82 2HG ARG 82 15.256 9.688 -12.918 653 2HG ARG 82 1HG ARG 82 16.990 9.818 -12.765 654 1HD ARG 82 2HD ARG 82 16.509 9.293 -10.185 655 2HD ARG 82 1HD ARG 82 15.023 8.573 -10.842 656 HE ARG 82 HE ARG 82 17.716 7.596 -10.971 657 1HH1 ARG 82 1HH2 ARG 82 14.709 7.647 -12.791 658 2HH1 ARG 82 2HH2 ARG 82 15.045 6.175 -13.642 659 1HH2 ARG 82 2HH1 ARG 82 18.151 5.690 -12.111 660 2HH2 ARG 82 1HH1 ARG 82 17.016 5.065 -13.255 661 H ILE 83 H ILE 83 12.749 10.113 -10.557 662 HA ILE 83 HA ILE 83 11.051 10.856 -12.863 663 HB ILE 83 HB ILE 83 10.302 8.477 -12.863 664 1HG1 ILE 83 1HG1 ILE 83 13.022 7.634 -11.931 665 2HG1 ILE 83 2HG1 ILE 83 11.934 8.194 -10.680 666 1HG2 ILE 83 1HG2 ILE 83 11.568 9.441 -14.720 667 2HG2 ILE 83 3HG2 ILE 83 13.091 9.047 -13.917 668 3HG2 ILE 83 2HG2 ILE 83 11.998 7.758 -14.451 669 1HD1 ILE 83 2HD1 ILE 83 10.186 6.831 -11.372 670 2HD1 ILE 83 1HD1 ILE 83 11.192 6.116 -12.685 671 3HD1 ILE 83 3HD1 ILE 83 11.570 5.794 -10.975 672 H THR 84 H THR 84 10.209 12.216 -11.665 673 HA THR 84 HA THR 84 8.490 11.505 -9.350 674 HB THR 84 HB THR 84 8.952 14.302 -10.428 675 HG1 THR 84 HG1 THR 84 11.390 12.928 -9.362 676 1HG2 THR 84 3HG2 THR 84 8.649 13.269 -7.601 677 2HG2 THR 84 2HG2 THR 84 9.107 14.929 -7.998 678 3HG2 THR 84 1HG2 THR 84 7.635 14.257 -8.637 679 H PHE 85 H PHE 85 6.450 12.572 -9.328 680 HA PHE 85 HA PHE 85 5.193 13.191 -11.949 681 1HB PHE 85 2HB PHE 85 4.295 10.716 -10.330 682 2HB PHE 85 1HB PHE 85 3.464 11.311 -11.742 683 HD1 PHE 85 HD1 PHE 85 4.524 11.172 -13.988 684 HD2 PHE 85 HD2 PHE 85 6.394 9.507 -10.518 685 HE1 PHE 85 HE1 PHE 85 6.096 9.937 -15.420 686 HE2 PHE 85 HE2 PHE 85 7.989 8.327 -11.930 687 HZ PHE 85 HZ PHE 85 7.856 8.539 -14.411 688 HA PRO 86 HA PRO 86 2.706 15.737 -9.250 689 1HB PRO 86 2HB PRO 86 0.423 16.137 -10.794 690 2HB PRO 86 1HB PRO 86 1.984 16.889 -11.095 691 1HG PRO 86 2HG PRO 86 0.853 14.446 -12.434 692 2HG PRO 86 1HG PRO 86 1.675 15.813 -13.200 693 1HD PRO 86 1HD PRO 86 3.008 13.487 -12.696 694 2HD PRO 86 2HD PRO 86 3.822 15.049 -12.526 695 H THR 87 H THR 87 1.755 12.573 -10.033 696 HA THR 87 HA THR 87 0.428 12.149 -7.605 697 HB THR 87 HB THR 87 -1.472 13.233 -8.542 698 HG1 THR 87 HG1 THR 87 -2.170 10.357 -8.345 699 1HG2 THR 87 3HG2 THR 87 -1.168 11.627 -11.069 700 2HG2 THR 87 2HG2 THR 87 -2.589 12.629 -10.628 701 3HG2 THR 87 1HG2 THR 87 -0.999 13.332 -10.755 702 H LEU 88 H LEU 88 -0.674 9.750 -7.810 703 HA LEU 88 HA LEU 88 1.284 8.090 -9.040 704 1HB LEU 88 2HB LEU 88 -1.543 7.335 -8.125 705 2HB LEU 88 1HB LEU 88 -0.602 6.238 -9.027 706 HG LEU 88 HG LEU 88 -0.672 5.787 -6.758 707 1HD1 LEU 88 1HD1 LEU 88 1.409 5.297 -8.099 708 2HD1 LEU 88 3HD1 LEU 88 2.199 6.631 -7.273 709 3HD1 LEU 88 2HD1 LEU 88 1.500 5.253 -6.369 710 1HD2 LEU 88 3HD2 LEU 88 -0.796 8.115 -5.979 711 2HD2 LEU 88 2HD2 LEU 88 0.180 6.908 -5.054 712 3HD2 LEU 88 1HD2 LEU 88 1.005 8.087 -6.094 713 H GLN 89 H GLN 89 -1.706 9.637 -10.403 714 HA GLN 89 HA GLN 89 -2.022 7.415 -12.303 715 1HB GLN 89 2HB GLN 89 -3.497 8.727 -13.731 716 2HB GLN 89 1HB GLN 89 -3.987 8.363 -12.125 717 1HG GLN 89 2HG GLN 89 -4.703 10.542 -12.511 718 2HG GLN 89 1HG GLN 89 -3.386 10.563 -11.371 719 1HE2 GLN 89 2HE2 GLN 89 -1.910 11.654 -15.038 720 2HE2 GLN 89 1HE2 GLN 89 -2.338 10.034 -14.627 721 H ALA 90 H ALA 90 -0.166 10.360 -12.464 722 HA ALA 90 HA ALA 90 0.475 9.948 -15.256 723 1HB ALA 90 1HB ALA 90 1.826 11.696 -13.128 724 2HB ALA 90 3HB ALA 90 2.186 11.809 -14.857 725 3HB ALA 90 2HB ALA 90 0.581 12.212 -14.252 726 H LEU 91 H LEU 91 1.417 8.367 -12.535 727 HA LEU 91 HA LEU 91 3.987 7.365 -13.519 728 1HB LEU 91 2HB LEU 91 4.259 7.984 -11.353 729 2HB LEU 91 1HB LEU 91 2.625 7.823 -10.899 730 HG LEU 91 HG LEU 91 4.462 5.416 -11.252 731 1HD1 LEU 91 3HD1 LEU 91 3.916 7.100 -8.759 732 2HD1 LEU 91 2HD1 LEU 91 4.693 5.527 -8.723 733 3HD1 LEU 91 1HD1 LEU 91 5.472 6.877 -9.554 734 1HD2 LEU 91 3HD2 LEU 91 1.725 5.918 -9.984 735 2HD2 LEU 91 2HD2 LEU 91 2.151 4.683 -11.165 736 3HD2 LEU 91 1HD2 LEU 91 2.731 4.495 -9.539 737 H VAL 92 H VAL 92 0.560 6.460 -12.894 738 HA VAL 92 HA VAL 92 0.993 3.731 -13.561 739 HB VAL 92 HB VAL 92 -1.746 5.046 -13.378 740 1HG1 VAL 92 3HG1 VAL 92 -1.558 2.582 -13.773 741 2HG1 VAL 92 2HG1 VAL 92 -0.711 2.478 -12.166 742 3HG1 VAL 92 1HG1 VAL 92 -2.375 3.012 -12.272 743 1HG2 VAL 92 2HG2 VAL 92 0.141 4.956 -11.079 744 2HG2 VAL 92 1HG2 VAL 92 -1.382 5.831 -11.271 745 3HG2 VAL 92 3HG2 VAL 92 -1.366 4.204 -10.743 746 H GLN 93 H GLN 93 0.875 6.587 -15.245 747 HA GLN 93 HA GLN 93 -0.460 5.553 -17.630 748 1HB GLN 93 2HB GLN 93 -0.723 7.683 -18.428 749 2HB GLN 93 1HB GLN 93 -0.762 8.035 -16.723 750 1HG GLN 93 2HG GLN 93 1.700 8.658 -16.864 751 2HG GLN 93 1HG GLN 93 1.623 8.456 -18.590 752 1HE2 GLN 93 1HE2 GLN 93 -1.217 9.571 -18.664 753 2HE2 GLN 93 2HE2 GLN 93 -0.989 11.271 -18.490 754 H HIS 94 H HIS 94 2.481 6.794 -16.212 755 HA HIS 94 HA HIS 94 4.289 6.748 -18.254 756 1HB HIS 94 2HB HIS 94 4.592 7.472 -15.764 757 2HB HIS 94 1HB HIS 94 4.996 5.817 -15.391 758 HD1 HIS 94 HD1 HIS 94 7.462 5.317 -15.651 759 HD2 HIS 94 HD2 HIS 94 6.254 8.653 -17.887 760 HE1 HIS 94 HE1 HIS 94 9.558 6.370 -16.590 761 H TYR 95 H TYR 95 3.403 4.116 -16.014 762 HA TYR 95 HA TYR 95 4.941 2.250 -17.663 763 1HB TYR 95 2HB TYR 95 3.372 1.539 -15.179 764 2HB TYR 95 1HB TYR 95 4.550 0.526 -15.999 765 HD1 TYR 95 HD1 TYR 95 6.845 1.953 -16.559 766 HD2 TYR 95 HD2 TYR 95 4.149 2.598 -13.300 767 HE1 TYR 95 HE1 TYR 95 8.534 3.199 -15.487 768 HE2 TYR 95 HE2 TYR 95 5.805 3.777 -12.100 769 HH TYR 95 HH TYR 95 8.149 5.376 -13.336 770 H SER 96 H SER 96 1.673 3.354 -17.763 771 HA SER 96 HA SER 96 0.633 0.873 -18.872 772 1HB SER 96 2HB SER 96 -0.139 3.799 -19.594 773 2HB SER 96 1HB SER 96 -0.980 2.465 -20.171 774 HG SER 96 HG SER 96 -1.340 2.537 -17.206 775 H LYS 97 H LYS 97 2.938 2.981 -20.206 776 HA LYS 97 HA LYS 97 2.580 1.463 -22.775 777 1HB LYS 97 2HB LYS 97 4.035 4.103 -22.101 778 2HB LYS 97 1HB LYS 97 4.247 3.325 -23.640 779 1HG LYS 97 2HG LYS 97 2.648 5.150 -23.802 780 2HG LYS 97 1HG LYS 97 1.880 3.642 -24.214 781 1HD LYS 97 2HD LYS 97 0.660 3.572 -22.155 782 2HD LYS 97 1HD LYS 97 1.665 4.796 -21.400 783 1HE LYS 97 1HE LYS 97 0.706 6.526 -22.900 784 2HE LYS 97 2HE LYS 97 -0.231 5.295 -23.749 785 1HZ LYS 97 2HZ LYS 97 -0.481 5.949 -20.885 786 2HZ LYS 97 1HZ LYS 97 -1.507 6.481 -22.126 787 3HZ LYS 97 3HZ LYS 97 -1.410 4.826 -21.762 788 H LYS 98 H LYS 98 5.254 2.183 -20.544 789 HA LYS 98 HA LYS 98 6.299 -0.385 -21.521 790 1HB LYS 98 2HB LYS 98 8.322 0.082 -22.279 791 2HB LYS 98 1HB LYS 98 7.255 1.153 -23.132 792 1HG LYS 98 2HG LYS 98 8.842 1.904 -20.679 793 2HG LYS 98 1HG LYS 98 9.433 2.090 -22.299 794 1HD LYS 98 2HD LYS 98 8.585 4.204 -22.092 795 2HD LYS 98 1HD LYS 98 7.170 3.357 -22.716 796 1HE LYS 98 1HE LYS 98 5.972 4.032 -20.929 797 2HE LYS 98 2HE LYS 98 7.084 3.275 -19.802 798 1HZ LYS 98 3HZ LYS 98 7.341 5.973 -20.966 799 2HZ LYS 98 2HZ LYS 98 6.845 5.581 -19.386 800 3HZ LYS 98 1HZ LYS 98 8.431 5.254 -19.891 801 H GLY 99 H GLY 99 8.558 -0.658 -20.387 802 1HA GLY 99 2HA GLY 99 7.884 -0.510 -17.467 803 2HA GLY 99 1HA GLY 99 8.898 -1.790 -18.255 804 H ASP 100 H ASP 100 8.538 1.568 -18.323 805 HA ASP 100 HA ASP 100 11.300 2.264 -18.548 806 1HB ASP 100 2HB ASP 100 9.247 3.479 -19.456 807 2HB ASP 100 1HB ASP 100 9.016 4.220 -17.918 808 H GLY 101 H GLY 101 10.303 0.967 -16.035 809 1HA GLY 101 2HA GLY 101 12.134 2.145 -14.206 810 2HA GLY 101 1HA GLY 101 10.483 2.781 -13.844 811 H LEU 102 H LEU 102 9.401 0.022 -14.821 812 HA LEU 102 HA LEU 102 9.868 -1.388 -12.278 813 1HB LEU 102 2HB LEU 102 7.458 -1.587 -14.161 814 2HB LEU 102 1HB LEU 102 7.576 -2.215 -12.538 815 HG LEU 102 HG LEU 102 7.483 0.716 -13.357 816 1HD1 LEU 102 2HD1 LEU 102 5.486 -1.093 -11.941 817 2HD1 LEU 102 1HD1 LEU 102 5.334 0.655 -12.051 818 3HD1 LEU 102 3HD1 LEU 102 5.292 -0.337 -13.523 819 1HD2 LEU 102 2HD2 LEU 102 8.916 0.302 -11.281 820 2HD2 LEU 102 1HD2 LEU 102 7.493 1.299 -10.990 821 3HD2 LEU 102 3HD2 LEU 102 7.474 -0.400 -10.549 822 H CYS 103 H CYS 103 9.603 -3.528 -12.326 823 HA CYS 103 HA CYS 103 10.884 -4.886 -14.613 824 1HB CYS 103 2HB CYS 103 11.269 -6.769 -13.023 825 2HB CYS 103 1HB CYS 103 11.941 -5.264 -12.463 826 HG CYS 103 HG CYS 103 10.856 -6.717 -10.262 827 H GLN 104 H GLN 104 8.673 -4.149 -15.356 828 HA GLN 104 HA GLN 104 7.468 -5.451 -16.999 829 1HB GLN 104 2HB GLN 104 6.272 -6.862 -14.537 830 2HB GLN 104 1HB GLN 104 5.445 -6.755 -16.052 831 1HG GLN 104 2HG GLN 104 8.175 -8.113 -15.733 832 2HG GLN 104 1HG GLN 104 6.637 -8.931 -15.889 833 1HE2 GLN 104 2HE2 GLN 104 6.236 -8.394 -19.354 834 2HE2 GLN 104 1HE2 GLN 104 5.419 -8.729 -17.870 835 H LYS 105 H LYS 105 6.189 -4.301 -17.858 836 HA LYS 105 HA LYS 105 5.156 -2.018 -16.501 837 1HB LYS 105 2HB LYS 105 4.870 -1.052 -18.606 838 2HB LYS 105 1HB LYS 105 6.348 -1.966 -18.514 839 1HG LYS 105 2HG LYS 105 5.351 -2.076 -20.740 840 2HG LYS 105 1HG LYS 105 5.445 -3.697 -20.027 841 1HD LYS 105 2HD LYS 105 3.438 -3.411 -21.247 842 2HD LYS 105 1HD LYS 105 2.918 -3.420 -19.589 843 1HE LYS 105 1HE LYS 105 2.323 -1.168 -19.643 844 2HE LYS 105 2HE LYS 105 3.701 -0.716 -20.641 845 1HZ LYS 105 1HZ LYS 105 2.567 -1.717 -22.526 846 2HZ LYS 105 3HZ LYS 105 1.244 -2.098 -21.525 847 3HZ LYS 105 2HZ LYS 105 1.650 -0.476 -21.821 848 H LEU 106 H LEU 106 3.086 -1.202 -17.212 849 HA LEU 106 HA LEU 106 1.070 -2.787 -15.939 850 1HB LEU 106 2HB LEU 106 1.134 -0.013 -17.174 851 2HB LEU 106 1HB LEU 106 -0.355 -0.631 -16.507 852 HG LEU 106 HG LEU 106 2.274 -0.436 -14.985 853 1HD1 LEU 106 1HD1 LEU 106 1.273 1.859 -15.433 854 2HD1 LEU 106 3HD1 LEU 106 -0.143 1.295 -14.496 855 3HD1 LEU 106 2HD1 LEU 106 1.417 1.427 -13.751 856 1HD2 LEU 106 1HD2 LEU 106 -0.397 -1.642 -14.444 857 2HD2 LEU 106 3HD2 LEU 106 1.232 -2.032 -13.841 858 3HD2 LEU 106 2HD2 LEU 106 0.268 -0.710 -13.157 859 H THR 107 H THR 107 -0.756 -3.565 -16.485 860 HA THR 107 HA THR 107 -1.396 -3.750 -19.380 861 HB THR 107 HB THR 107 -1.872 -5.963 -19.395 862 HG1 THR 107 HG1 THR 107 -2.186 -6.254 -16.471 863 1HG2 THR 107 2HG2 THR 107 0.433 -5.546 -19.539 864 2HG2 THR 107 1HG2 THR 107 0.734 -5.676 -17.839 865 3HG2 THR 107 3HG2 THR 107 0.241 -7.101 -18.743 866 H LEU 108 H LEU 108 -2.871 -4.991 -16.463 867 HA LEU 108 HA LEU 108 -5.082 -3.065 -16.718 868 1HB LEU 108 2HB LEU 108 -5.580 -6.093 -16.547 869 2HB LEU 108 1HB LEU 108 -6.784 -4.883 -16.770 870 HG LEU 108 HG LEU 108 -4.649 -5.392 -18.864 871 1HD1 LEU 108 1HD1 LEU 108 -7.271 -6.849 -18.626 872 2HD1 LEU 108 3HD1 LEU 108 -6.163 -6.898 -20.004 873 3HD1 LEU 108 2HD1 LEU 108 -5.639 -7.510 -18.437 874 1HD2 LEU 108 1HD2 LEU 108 -6.013 -3.261 -18.997 875 2HD2 LEU 108 3HD2 LEU 108 -6.271 -4.332 -20.375 876 3HD2 LEU 108 2HD2 LEU 108 -7.473 -4.240 -19.082 877 HA PRO 109 HA PRO 109 -4.378 -3.849 -12.280 878 1HB PRO 109 2HB PRO 109 -6.153 -2.074 -11.183 879 2HB PRO 109 1HB PRO 109 -4.689 -1.585 -12.004 880 1HG PRO 109 2HG PRO 109 -7.455 -1.620 -13.199 881 2HG PRO 109 1HG PRO 109 -6.247 -0.335 -13.324 882 1HD PRO 109 1HD PRO 109 -6.625 -2.256 -15.319 883 2HD PRO 109 2HD PRO 109 -5.057 -1.469 -15.038 884 H CYS 110 H CYS 110 -5.248 -5.152 -10.800 885 HA CYS 110 HA CYS 110 -6.801 -7.209 -11.419 886 1HB CYS 110 2HB CYS 110 -5.505 -6.945 -9.362 887 2HB CYS 110 1HB CYS 110 -6.717 -5.928 -8.657 888 HG CYS 110 HG CYS 110 -7.157 -9.264 -9.492 889 H VAL 111 H VAL 111 -8.937 -8.002 -10.950 890 HA VAL 111 HA VAL 111 -11.011 -6.017 -11.517 891 HB VAL 111 HB VAL 111 -12.552 -7.952 -11.509 892 1HG1 VAL 111 3HG1 VAL 111 -11.324 -7.383 -13.579 893 2HG1 VAL 111 2HG1 VAL 111 -10.023 -8.486 -13.132 894 3HG1 VAL 111 1HG1 VAL 111 -11.633 -9.113 -13.472 895 1HG2 VAL 111 3HG2 VAL 111 -11.501 -9.366 -9.733 896 2HG2 VAL 111 2HG2 VAL 111 -11.685 -10.272 -11.226 897 3HG2 VAL 111 1HG2 VAL 111 -10.107 -9.643 -10.775 898 H ASN 112 H ASN 112 -12.763 -5.484 -10.163 899 HA ASN 112 HA ASN 112 -12.064 -5.165 -7.422 900 1HB ASN 112 2HB ASN 112 -14.760 -4.782 -8.854 901 2HB ASN 112 1HB ASN 112 -14.477 -4.321 -7.182 902 1HD2 ASN 112 2HD2 ASN 112 -13.930 -1.431 -9.525 903 2HD2 ASN 112 1HD2 ASN 112 -15.197 -2.599 -9.369 904 H LEU 113 H LEU 113 -12.006 -6.504 -5.954 905 HA LEU 113 HA LEU 113 -14.097 -8.352 -5.262 906 1HB LEU 113 2HB LEU 113 -12.882 -9.600 -7.025 907 2HB LEU 113 1HB LEU 113 -11.340 -9.310 -6.291 908 HG LEU 113 HG LEU 113 -13.395 -10.749 -4.618 909 1HD1 LEU 113 2HD1 LEU 113 -13.708 -11.818 -6.820 910 2HD1 LEU 113 1HD1 LEU 113 -11.975 -12.114 -6.943 911 3HD1 LEU 113 3HD1 LEU 113 -12.925 -12.924 -5.698 912 1HD2 LEU 113 1HD2 LEU 113 -11.038 -10.312 -3.766 913 2HD2 LEU 113 3HD2 LEU 113 -11.421 -12.026 -3.852 914 3HD2 LEU 113 2HD2 LEU 113 -10.409 -11.282 -5.086 915 H ALA 114 HN ALA 114 -14.047 -8.828 -3.108 916 HA ALA 114 HA ALA 114 -12.444 -7.135 -1.473 917 1HB ALA 114 2HB ALA 114 -14.716 -7.877 -0.810 918 2HB ALA 114 1HB ALA 114 -14.168 -9.544 -0.670 919 3HB ALA 114 3HB ALA 114 -13.559 -8.316 0.440 No H/Q in entry = 919 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -25.462 4.286 -19.498 2 2H GLY 1 3H GLY 1 -26.430 5.438 -20.276 3 3H GLY 1 2H GLY 1 -25.149 4.706 -21.114 4 1HA GLY 1 2HA GLY 1 -23.561 5.703 -19.679 5 2HA GLY 1 1HA GLY 1 -24.616 6.935 -20.465 6 H SER 2 H SER 2 -23.424 7.997 -18.549 7 HA SER 2 HA SER 2 -24.730 7.565 -15.957 8 1HB SER 2 2HB SER 2 -22.364 8.100 -15.890 9 2HB SER 2 1HB SER 2 -22.464 9.344 -17.023 10 HG SER 2 HG SER 2 -23.868 10.382 -14.651 11 H VAL 3 H VAL 3 -25.703 9.218 -14.798 12 HA VAL 3 HA VAL 3 -27.528 10.874 -16.363 13 HB VAL 3 HB VAL 3 -27.202 10.433 -13.346 14 1HG1 VAL 3 3HG1 VAL 3 -29.523 11.749 -14.829 15 2HG1 VAL 3 2HG1 VAL 3 -29.501 11.350 -13.112 16 3HG1 VAL 3 1HG1 VAL 3 -28.399 12.562 -13.740 17 1HG2 VAL 3 3HG2 VAL 3 -29.165 9.158 -15.310 18 2HG2 VAL 3 2HG2 VAL 3 -27.826 8.337 -14.506 19 3HG2 VAL 3 1HG2 VAL 3 -29.181 8.933 -13.563 20 H ALA 4 H ALA 4 -25.391 11.345 -13.617 21 HA ALA 4 HA ALA 4 -24.526 14.003 -14.607 22 1HB ALA 4 1HB ALA 4 -25.299 13.189 -11.751 23 2HB ALA 4 3HB ALA 4 -24.596 14.750 -12.184 24 3HB ALA 4 2HB ALA 4 -26.188 14.296 -12.788 25 HA PRO 5 HA PRO 5 -20.844 11.340 -13.864 26 1HB PRO 5 2HB PRO 5 -19.082 12.679 -15.501 27 2HB PRO 5 1HB PRO 5 -20.340 11.604 -16.110 28 1HG PRO 5 2HG PRO 5 -20.422 14.602 -15.998 29 2HG PRO 5 1HG PRO 5 -20.931 13.555 -17.327 30 1HD PRO 5 1HD PRO 5 -22.691 14.635 -15.497 31 2HD PRO 5 2HD PRO 5 -23.012 13.105 -16.330 32 H VAL 6 H VAL 6 -20.186 11.527 -11.944 33 HA VAL 6 HA VAL 6 -18.582 13.859 -11.104 34 HB VAL 6 HB VAL 6 -20.923 12.639 -9.543 35 1HG1 VAL 6 1HG1 VAL 6 -18.951 14.775 -8.613 36 2HG1 VAL 6 3HG1 VAL 6 -20.443 14.349 -7.778 37 3HG1 VAL 6 2HG1 VAL 6 -19.161 13.165 -7.925 38 1HG2 VAL 6 3HG2 VAL 6 -20.593 15.457 -10.684 39 2HG2 VAL 6 2HG2 VAL 6 -21.764 14.247 -11.212 40 3HG2 VAL 6 1HG2 VAL 6 -21.902 14.951 -9.616 41 H GLU 7 H GLU 7 -16.892 13.318 -9.988 42 HA GLU 7 HA GLU 7 -16.280 10.491 -9.586 43 1HB GLU 7 2HB GLU 7 -13.985 11.243 -9.103 44 2HB GLU 7 1HB GLU 7 -14.537 11.910 -10.605 45 1HG GLU 7 2HG GLU 7 -14.499 13.474 -7.954 46 2HG GLU 7 1HG GLU 7 -13.216 13.500 -9.130 47 H THR 8 H THR 8 -15.861 9.466 -7.672 48 HA THR 8 HA THR 8 -15.858 10.877 -5.174 49 HB THR 8 HB THR 8 -18.177 11.220 -5.371 50 HG1 THR 8 HG1 THR 8 -18.005 8.811 -3.611 51 1HG2 THR 8 3HG2 THR 8 -18.485 8.502 -6.765 52 2HG2 THR 8 2HG2 THR 8 -19.856 9.462 -6.190 53 3HG2 THR 8 1HG2 THR 8 -18.751 10.119 -7.339 54 H LEU 9 H LEU 9 -16.542 7.777 -6.725 55 HA LEU 9 HA LEU 9 -15.609 6.293 -4.369 56 1HB LEU 9 2HB LEU 9 -16.438 5.343 -7.159 57 2HB LEU 9 1HB LEU 9 -16.152 4.279 -5.812 58 HG LEU 9 HG LEU 9 -18.312 6.422 -5.851 59 1HD1 LEU 9 3HD1 LEU 9 -18.763 4.765 -7.590 60 2HD1 LEU 9 2HD1 LEU 9 -18.590 3.456 -6.423 61 3HD1 LEU 9 1HD1 LEU 9 -19.915 4.612 -6.268 62 1HD2 LEU 9 2HD2 LEU 9 -17.476 5.563 -3.527 63 2HD2 LEU 9 1HD2 LEU 9 -19.191 5.361 -3.853 64 3HD2 LEU 9 3HD2 LEU 9 -18.084 3.998 -4.003 65 H GLU 10 H GLU 10 -14.229 4.338 -5.019 66 HA GLU 10 HA GLU 10 -11.602 5.337 -5.790 67 1HB GLU 10 2HB GLU 10 -12.703 2.596 -4.947 68 2HB GLU 10 1HB GLU 10 -11.014 2.843 -5.270 69 1HG GLU 10 2HG GLU 10 -12.560 4.389 -3.114 70 2HG GLU 10 1HG GLU 10 -11.643 2.922 -2.853 71 H VAL 11 H VAL 11 -10.316 4.357 -7.371 72 HA VAL 11 HA VAL 11 -11.682 3.899 -9.869 73 HB VAL 11 HB VAL 11 -9.488 3.690 -10.846 74 1HG1 VAL 11 3HG1 VAL 11 -10.010 5.987 -10.049 75 2HG1 VAL 11 2HG1 VAL 11 -9.169 5.656 -8.534 76 3HG1 VAL 11 1HG1 VAL 11 -8.282 5.659 -10.048 77 1HG2 VAL 11 1HG2 VAL 11 -8.577 2.939 -8.056 78 2HG2 VAL 11 3HG2 VAL 11 -8.394 2.026 -9.523 79 3HG2 VAL 11 2HG2 VAL 11 -7.406 3.467 -9.290 80 H GLU 12 H GLU 12 -10.180 2.011 -7.416 81 HA GLU 12 HA GLU 12 -10.367 -0.013 -6.689 82 1HB GLU 12 2HB GLU 12 -12.055 -0.649 -9.139 83 2HB GLU 12 1HB GLU 12 -11.659 -1.845 -7.948 84 1HG GLU 12 2HG GLU 12 -12.764 0.850 -7.120 85 2HG GLU 12 1HG GLU 12 -13.859 -0.464 -7.569 86 H LYS 13 H LYS 13 -9.045 -1.386 -6.483 87 HA LYS 13 HA LYS 13 -7.265 -2.597 -6.521 88 1HB LYS 13 2HB LYS 13 -7.911 -2.989 -9.422 89 2HB LYS 13 1HB LYS 13 -6.690 -3.901 -8.556 90 1HG LYS 13 2HG LYS 13 -9.658 -3.737 -7.853 91 2HG LYS 13 1HG LYS 13 -8.863 -5.117 -8.532 92 1HD LYS 13 2HD LYS 13 -7.394 -5.085 -6.336 93 2HD LYS 13 1HD LYS 13 -8.623 -3.998 -5.744 94 1HE LYS 13 1HE LYS 13 -9.396 -6.096 -5.012 95 2HE LYS 13 2HE LYS 13 -10.358 -5.808 -6.463 96 1HZ LYS 13 1HZ LYS 13 -8.718 -7.110 -7.671 97 2HZ LYS 13 3HZ LYS 13 -7.946 -7.482 -6.198 98 3HZ LYS 13 2HZ LYS 13 -9.553 -7.984 -6.487 99 H TRP 14 H TRP 14 -6.818 -0.306 -9.438 100 HA TRP 14 HA TRP 14 -4.047 -0.430 -8.677 101 1HB TRP 14 2HB TRP 14 -3.289 0.989 -10.184 102 2HB TRP 14 1HB TRP 14 -4.676 0.359 -10.976 103 HD1 TRP 14 HD1 TRP 14 -6.041 2.144 -12.267 104 HE1 TRP 14 HE1 TRP 14 -5.858 4.665 -12.500 105 HE3 TRP 14 HE3 TRP 14 -3.070 3.159 -8.221 106 HZ2 TRP 14 HZ2 TRP 14 -4.414 6.845 -11.175 107 HZ3 TRP 14 HZ3 TRP 14 -2.420 5.499 -7.738 108 HH2 TRP 14 HH2 TRP 14 -3.152 7.310 -9.193 109 H PHE 15 H PHE 15 -6.667 1.841 -8.053 110 HA PHE 15 HA PHE 15 -5.164 2.835 -5.695 111 1HB PHE 15 2HB PHE 15 -5.983 4.491 -7.610 112 2HB PHE 15 1HB PHE 15 -7.555 4.333 -6.872 113 HD1 PHE 15 HD1 PHE 15 -3.972 4.958 -5.964 114 HD2 PHE 15 HD2 PHE 15 -8.098 5.724 -5.076 115 HE1 PHE 15 HE1 PHE 15 -3.331 6.667 -4.289 116 HE2 PHE 15 HE2 PHE 15 -7.439 7.385 -3.394 117 HZ PHE 15 HZ PHE 15 -5.047 7.867 -3.006 118 H PHE 16 H PHE 16 -5.567 1.514 -4.270 119 HA PHE 16 HA PHE 16 -8.365 0.813 -3.536 120 1HB PHE 16 2HB PHE 16 -6.561 -0.935 -4.709 121 2HB PHE 16 1HB PHE 16 -6.036 -1.096 -3.069 122 HD1 PHE 16 HD2 PHE 16 -9.661 -0.790 -3.999 123 HD2 PHE 16 HD1 PHE 16 -6.309 -3.281 -2.926 124 HE1 PHE 16 HE2 PHE 16 -11.189 -2.649 -3.611 125 HE2 PHE 16 HE1 PHE 16 -7.907 -5.149 -2.533 126 HZ PHE 16 HZ PHE 16 -10.329 -4.846 -2.930 127 H ARG 17 H ARG 17 -7.096 2.961 -2.561 128 HA ARG 17 HA ARG 17 -6.428 4.141 -0.820 129 1HB ARG 17 2HB ARG 17 -8.445 2.192 0.193 130 2HB ARG 17 1HB ARG 17 -7.658 3.121 1.419 131 1HG ARG 17 2HG ARG 17 -8.345 5.212 0.539 132 2HG ARG 17 1HG ARG 17 -8.842 4.542 -0.992 133 1HD ARG 17 2HD ARG 17 -10.102 3.656 1.626 134 2HD ARG 17 1HD ARG 17 -10.757 5.010 0.673 135 HE ARG 17 HE ARG 17 -10.741 3.355 -1.276 136 1HH1 ARG 17 1HH2 ARG 17 -11.390 2.373 2.045 137 2HH1 ARG 17 2HH2 ARG 17 -12.290 0.967 1.584 138 1HH2 ARG 17 2HH1 ARG 17 -11.907 1.505 -1.849 139 2HH2 ARG 17 1HH1 ARG 17 -12.571 0.471 -0.635 140 H THR 18 H THR 18 -6.225 0.853 0.779 141 HA THR 18 HA THR 18 -3.694 0.919 1.452 142 HB THR 18 HB THR 18 -3.520 2.807 2.743 143 HG1 THR 18 HG1 THR 18 -3.893 0.712 4.806 144 1HG2 THR 18 1HG2 THR 18 -6.378 2.501 3.819 145 2HG2 THR 18 3HG2 THR 18 -5.178 3.724 4.351 146 3HG2 THR 18 2HG2 THR 18 -5.711 3.654 2.709 147 H ILE 19 H ILE 19 -4.749 -1.073 0.915 148 HA ILE 19 HA ILE 19 -6.000 -2.597 3.100 149 HB ILE 19 HB ILE 19 -6.334 -2.898 0.524 150 1HG1 ILE 19 1HG1 ILE 19 -5.616 -5.334 2.064 151 2HG1 ILE 19 2HG1 ILE 19 -7.189 -4.614 1.927 152 1HG2 ILE 19 1HG2 ILE 19 -3.850 -2.695 0.216 153 2HG2 ILE 19 3HG2 ILE 19 -3.791 -4.456 0.429 154 3HG2 ILE 19 2HG2 ILE 19 -4.725 -3.734 -0.907 155 1HD1 ILE 19 1HD1 ILE 19 -7.086 -4.895 -0.581 156 2HD1 ILE 19 3HD1 ILE 19 -5.591 -5.796 -0.429 157 3HD1 ILE 19 2HD1 ILE 19 -7.096 -6.449 0.250 158 H SER 20 H SER 20 -4.595 -4.720 3.708 159 HA SER 20 HA SER 20 -2.066 -3.483 4.484 160 1HB SER 20 2HB SER 20 -3.088 -5.219 6.004 161 2HB SER 20 1HB SER 20 -2.901 -6.421 4.834 162 HG SER 20 HG SER 20 -0.152 -5.565 5.596 163 H ARG 21 H ARG 21 -0.056 -4.211 3.997 164 HA ARG 21 HA ARG 21 0.692 -4.256 1.408 165 1HB ARG 21 2HB ARG 21 2.124 -4.029 3.588 166 2HB ARG 21 1HB ARG 21 2.410 -5.744 3.438 167 1HG ARG 21 2HG ARG 21 4.240 -4.712 2.401 168 2HG ARG 21 1HG ARG 21 3.279 -5.278 1.060 169 1HD ARG 21 2HD ARG 21 2.466 -3.011 0.577 170 2HD ARG 21 1HD ARG 21 3.097 -2.368 2.085 171 HE ARG 21 HE ARG 21 4.546 -3.012 -0.344 172 1HH1 ARG 21 1HH2 ARG 21 4.798 -2.318 3.099 173 2HH1 ARG 21 2HH2 ARG 21 6.465 -1.858 3.027 174 1HH2 ARG 21 2HH1 ARG 21 6.755 -2.453 -0.408 175 2HH2 ARG 21 1HH1 ARG 21 7.579 -1.942 1.025 176 H LYS 22 H LYS 22 0.196 -7.271 3.381 177 HA LYS 22 HA LYS 22 0.979 -8.912 1.124 178 1HB LYS 22 2HB LYS 22 0.589 -10.828 2.358 179 2HB LYS 22 1HB LYS 22 1.383 -9.708 3.453 180 1HG LYS 22 2HG LYS 22 -1.596 -10.434 3.385 181 2HG LYS 22 1HG LYS 22 -0.413 -11.039 4.520 182 1HD LYS 22 2HD LYS 22 -0.014 -8.742 5.308 183 2HD LYS 22 1HD LYS 22 -1.243 -8.184 4.153 184 1HE LYS 22 1HE LYS 22 -2.199 -8.321 6.448 185 2HE LYS 22 2HE LYS 22 -2.999 -9.443 5.361 186 1HZ LYS 22 1HZ LYS 22 -0.875 -10.128 7.283 187 2HZ LYS 22 3HZ LYS 22 -2.538 -10.421 7.459 188 3HZ LYS 22 2HZ LYS 22 -1.663 -11.209 6.239 189 H ASP 23 H ASP 23 -1.927 -7.491 2.239 190 HA ASP 23 HA ASP 23 -3.644 -9.486 1.204 191 1HB ASP 23 2HB ASP 23 -4.047 -6.508 1.837 192 2HB ASP 23 1HB ASP 23 -5.383 -7.424 1.244 193 H ALA 24 H ALA 24 -2.521 -6.518 0.055 194 HA ALA 24 HA ALA 24 -3.737 -6.351 -2.557 195 1HB ALA 24 3HB ALA 24 -1.119 -5.367 -1.316 196 2HB ALA 24 2HB ALA 24 -1.623 -4.854 -2.913 197 3HB ALA 24 1HB ALA 24 -2.688 -4.550 -1.507 198 H GLU 25 H GLU 25 -0.955 -8.088 -1.351 199 HA GLU 25 HA GLU 25 0.091 -8.862 -3.932 200 1HB GLU 25 2HB GLU 25 0.583 -9.912 -1.100 201 2HB GLU 25 1HB GLU 25 1.426 -10.523 -2.490 202 1HG GLU 25 2HG GLU 25 2.400 -8.277 -2.947 203 2HG GLU 25 1HG GLU 25 1.523 -7.583 -1.613 204 H ARG 26 H ARG 26 -2.149 -10.159 -1.497 205 HA ARG 26 HA ARG 26 -2.306 -12.807 -2.408 206 1HB ARG 26 2HB ARG 26 -4.073 -13.086 -0.893 207 2HB ARG 26 1HB ARG 26 -3.356 -11.634 -0.287 208 1HG ARG 26 2HG ARG 26 -5.340 -10.543 -1.906 209 2HG ARG 26 1HG ARG 26 -6.014 -12.077 -1.564 210 1HD ARG 26 2HD ARG 26 -5.620 -11.375 1.012 211 2HD ARG 26 1HD ARG 26 -5.453 -9.769 0.323 212 HE ARG 26 HE ARG 26 -7.638 -9.647 0.006 213 1HH1 ARG 26 1HH2 ARG 26 -6.808 -13.060 0.311 214 2HH1 ARG 26 2HH2 ARG 26 -8.457 -13.579 0.414 215 1HH2 ARG 26 2HH1 ARG 26 -9.780 -10.356 0.184 216 2HH2 ARG 26 1HH1 ARG 26 -10.138 -12.042 0.350 217 H GLN 27 H GLN 27 -3.834 -9.900 -3.351 218 HA GLN 27 HA GLN 27 -5.746 -11.063 -5.183 219 1HB GLN 27 2HB GLN 27 -4.814 -8.147 -5.100 220 2HB GLN 27 1HB GLN 27 -6.271 -8.771 -5.844 221 1HG GLN 27 2HG GLN 27 -6.967 -9.623 -3.491 222 2HG GLN 27 1HG GLN 27 -5.634 -8.659 -2.869 223 1HE2 GLN 27 2HE2 GLN 27 -9.037 -6.893 -3.056 224 2HE2 GLN 27 1HE2 GLN 27 -8.638 -8.530 -2.685 225 H LEU 28 H LEU 28 -2.532 -9.469 -5.644 226 HA LEU 28 HA LEU 28 -2.768 -9.610 -8.479 227 1HB LEU 28 2HB LEU 28 -0.284 -9.287 -6.758 228 2HB LEU 28 1HB LEU 28 -0.308 -8.992 -8.491 229 HG LEU 28 HG LEU 28 -2.141 -7.548 -6.596 230 1HD1 LEU 28 2HD1 LEU 28 0.278 -7.113 -6.166 231 2HD1 LEU 28 1HD1 LEU 28 0.492 -6.671 -7.857 232 3HD1 LEU 28 3HD1 LEU 28 -0.555 -5.686 -6.819 233 1HD2 LEU 28 2HD2 LEU 28 -1.559 -7.472 -9.557 234 2HD2 LEU 28 1HD2 LEU 28 -3.108 -7.514 -8.770 235 3HD2 LEU 28 3HD2 LEU 28 -2.172 -6.027 -8.758 236 H LEU 29 H LEU 29 -1.604 -11.821 -6.015 237 HA LEU 29 HA LEU 29 -0.306 -13.691 -7.747 238 1HB LEU 29 2HB LEU 29 -1.389 -13.822 -4.922 239 2HB LEU 29 1HB LEU 29 -0.527 -15.154 -5.644 240 HG LEU 29 HG LEU 29 0.723 -12.362 -5.560 241 1HD1 LEU 29 3HD1 LEU 29 0.027 -13.037 -3.254 242 2HD1 LEU 29 2HD1 LEU 29 0.987 -14.498 -3.401 243 3HD1 LEU 29 1HD1 LEU 29 1.777 -12.916 -3.439 244 1HD2 LEU 29 3HD2 LEU 29 1.923 -15.201 -5.682 245 2HD2 LEU 29 2HD2 LEU 29 1.846 -14.098 -7.034 246 3HD2 LEU 29 1HD2 LEU 29 2.844 -13.708 -5.643 247 H ALA 30 H ALA 30 -3.596 -12.921 -7.251 248 HA ALA 30 HA ALA 30 -4.690 -15.540 -7.639 249 1HB ALA 30 1HB ALA 30 -6.002 -13.520 -6.764 250 2HB ALA 30 3HB ALA 30 -5.985 -12.841 -8.394 251 3HB ALA 30 2HB ALA 30 -6.815 -14.353 -8.083 252 HA PRO 31 HA PRO 31 -3.854 -15.987 -11.966 253 1HB PRO 31 2HB PRO 31 -5.754 -17.884 -12.681 254 2HB PRO 31 1HB PRO 31 -4.351 -18.222 -11.677 255 1HG PRO 31 2HG PRO 31 -7.135 -17.601 -10.722 256 2HG PRO 31 1HG PRO 31 -6.073 -18.914 -10.169 257 1HD PRO 31 1HD PRO 31 -6.330 -16.611 -8.765 258 2HD PRO 31 2HD PRO 31 -4.758 -17.447 -8.883 259 H MET 32 H MET 32 -6.458 -14.174 -10.880 260 HA MET 32 HA MET 32 -8.103 -13.977 -13.104 261 1HB MET 32 2HB MET 32 -7.419 -12.474 -10.559 262 2HB MET 32 1HB MET 32 -8.389 -11.670 -11.721 263 1HG MET 32 2HG MET 32 -10.002 -12.697 -10.345 264 2HG MET 32 1HG MET 32 -9.923 -13.731 -11.741 265 1HE MET 32 1HE MET 32 -8.941 -13.196 -8.049 266 2HE MET 32 3HE MET 32 -10.551 -13.851 -8.304 267 3HE MET 32 2HE MET 32 -9.330 -14.827 -7.456 268 H ASN 33 H ASN 33 -5.240 -12.316 -12.024 269 HA ASN 33 HA ASN 33 -4.894 -11.074 -14.693 270 1HB ASN 33 2HB ASN 33 -4.393 -9.480 -12.104 271 2HB ASN 33 1HB ASN 33 -4.206 -8.911 -13.762 272 1HD2 ASN 33 2HD2 ASN 33 -7.350 -7.598 -13.964 273 2HD2 ASN 33 1HD2 ASN 33 -5.691 -7.623 -14.458 274 H LYS 34 H LYS 34 -2.755 -10.241 -15.084 275 HA LYS 34 HA LYS 34 -0.633 -11.773 -13.671 276 1HB LYS 34 2HB LYS 34 0.377 -12.326 -15.862 277 2HB LYS 34 1HB LYS 34 -1.214 -12.980 -15.672 278 1HG LYS 34 2HG LYS 34 -1.203 -12.185 -17.862 279 2HG LYS 34 1HG LYS 34 -2.123 -10.971 -17.016 280 1HD LYS 34 2HD LYS 34 -0.181 -9.451 -17.005 281 2HD LYS 34 1HD LYS 34 0.863 -10.715 -17.598 282 1HE LYS 34 1HE LYS 34 0.323 -9.253 -19.459 283 2HE LYS 34 2HE LYS 34 -0.538 -10.762 -19.741 284 1HZ LYS 34 2HZ LYS 34 -1.685 -8.353 -18.491 285 2HZ LYS 34 1HZ LYS 34 -1.869 -8.805 -20.121 286 3HZ LYS 34 3HZ LYS 34 -2.504 -9.786 -18.880 287 H ALA 35 H ALA 35 1.601 -10.993 -14.324 288 HA ALA 35 HA ALA 35 2.503 -8.827 -13.496 289 1HB ALA 35 1HB ALA 35 3.875 -10.456 -14.749 290 2HB ALA 35 3HB ALA 35 3.312 -9.794 -16.279 291 3HB ALA 35 2HB ALA 35 4.289 -8.811 -15.181 292 H GLY 36 H GLY 36 1.935 -6.796 -13.420 293 1HA GLY 36 2HA GLY 36 1.956 -4.748 -14.589 294 2HA GLY 36 1HA GLY 36 0.876 -5.431 -15.843 295 H SER 37 H SER 37 -0.735 -6.890 -13.935 296 HA SER 37 HA SER 37 -2.475 -4.979 -12.854 297 1HB SER 37 1HB SER 37 -3.122 -6.924 -11.168 298 2HB SER 37 2HB SER 37 -3.633 -7.061 -12.716 299 HG SER 37 HG SER 37 -1.134 -8.563 -12.714 300 H PHE 38 H PHE 38 -2.210 -3.621 -11.192 301 HA PHE 38 HA PHE 38 -0.166 -4.309 -9.136 302 1HB PHE 38 2HB PHE 38 -0.839 -1.610 -10.564 303 2HB PHE 38 1HB PHE 38 0.005 -1.616 -9.065 304 HD1 PHE 38 HD1 PHE 38 1.040 -4.062 -11.746 305 HD2 PHE 38 HD2 PHE 38 1.666 -0.279 -9.914 306 HE1 PHE 38 HE1 PHE 38 3.124 -3.748 -12.994 307 HE2 PHE 38 HE2 PHE 38 3.840 -0.090 -10.933 308 HZ PHE 38 HZ PHE 38 4.586 -1.848 -12.545 309 H LEU 39 H LEU 39 -0.366 -2.722 -7.382 310 HA LEU 39 HA LEU 39 -3.031 -1.974 -6.308 311 1HB LEU 39 2HB LEU 39 -0.970 -3.966 -5.293 312 2HB LEU 39 1HB LEU 39 -1.768 -3.048 -4.118 313 HG LEU 39 HG LEU 39 -2.586 -5.331 -4.538 314 1HD1 LEU 39 3HD1 LEU 39 -3.481 -3.504 -3.177 315 2HD1 LEU 39 2HD1 LEU 39 -4.372 -2.906 -4.537 316 3HD1 LEU 39 1HD1 LEU 39 -4.810 -4.501 -3.820 317 1HD2 LEU 39 1HD2 LEU 39 -2.998 -5.332 -6.942 318 2HD2 LEU 39 3HD2 LEU 39 -4.358 -5.733 -5.879 319 3HD2 LEU 39 2HD2 LEU 39 -4.320 -4.146 -6.701 320 H ILE 40 H ILE 40 -2.609 0.340 -5.746 321 HA ILE 40 HA ILE 40 0.091 0.880 -4.593 322 HB ILE 40 HB ILE 40 -1.152 2.049 -6.779 323 1HG1 ILE 40 1HG1 ILE 40 0.372 4.066 -5.091 324 2HG1 ILE 40 2HG1 ILE 40 1.179 2.552 -5.420 325 1HG2 ILE 40 2HG2 ILE 40 -2.955 3.024 -5.383 326 2HG2 ILE 40 1HG2 ILE 40 -1.681 3.969 -4.547 327 3HG2 ILE 40 3HG2 ILE 40 -1.940 4.173 -6.248 328 1HD1 ILE 40 3HD1 ILE 40 0.806 2.757 -7.878 329 2HD1 ILE 40 2HD1 ILE 40 -0.029 4.253 -7.673 330 3HD1 ILE 40 1HD1 ILE 40 1.686 4.149 -7.259 331 H ARG 41 H ARG 41 -0.138 0.540 -2.319 332 HA ARG 41 HA ARG 41 -2.524 1.366 -0.843 333 1HB ARG 41 2HB ARG 41 -1.229 0.057 1.014 334 2HB ARG 41 1HB ARG 41 -2.511 -0.543 0.145 335 1HG ARG 41 2HG ARG 41 0.293 -0.839 -1.052 336 2HG ARG 41 1HG ARG 41 -0.146 -1.799 0.354 337 1HD ARG 41 2HD ARG 41 -0.957 -3.017 -1.689 338 2HD ARG 41 1HD ARG 41 -2.234 -2.506 -0.679 339 HE ARG 41 HE ARG 41 -1.524 -1.433 -3.277 340 1HH1 ARG 41 1HH2 ARG 41 -3.830 -1.310 -0.603 341 2HH1 ARG 41 2HH2 ARG 41 -5.090 -0.628 -1.573 342 1HH2 ARG 41 2HH1 ARG 41 -3.255 -0.592 -4.480 343 2HH2 ARG 41 1HH1 ARG 41 -4.743 -0.190 -3.716 344 H GLU 42 H GLU 42 -2.554 3.033 0.375 345 HA GLU 42 HA GLU 42 -0.220 4.478 1.007 346 1HB GLU 42 2HB GLU 42 -1.469 6.187 1.815 347 2HB GLU 42 1HB GLU 42 -2.600 5.450 0.720 348 1HG GLU 42 2HG GLU 42 -3.964 4.702 2.387 349 2HG GLU 42 1HG GLU 42 -2.758 4.770 3.677 350 H SER 43 H SER 43 0.887 4.786 2.787 351 HA SER 43 HA SER 43 0.819 2.520 4.681 352 1HB SER 43 2HB SER 43 3.023 3.560 3.719 353 2HB SER 43 1HB SER 43 2.564 5.056 4.170 354 HG SER 43 HG SER 43 2.940 3.747 6.746 355 H GLU 44 H GLU 44 -1.338 3.230 5.350 356 HA GLU 44 HA GLU 44 -2.714 5.217 5.809 357 1HB GLU 44 2HB GLU 44 -3.598 4.227 8.060 358 2HB GLU 44 1HB GLU 44 -3.764 3.452 6.543 359 1HG GLU 44 2HG GLU 44 -3.120 1.742 8.087 360 2HG GLU 44 1HG GLU 44 -1.721 1.985 7.078 361 H SER 45 H SER 45 -0.116 4.630 8.069 362 HA SER 45 HA SER 45 -0.363 6.675 10.054 363 1HB SER 45 2HB SER 45 2.031 5.719 10.414 364 2HB SER 45 1HB SER 45 0.791 4.572 10.454 365 HG SER 45 HG SER 45 1.768 4.513 7.670 366 H ASN 46 H ASN 46 0.280 7.127 6.828 367 HA ASN 46 HA ASN 46 2.720 8.772 7.031 368 1HB ASN 46 2HB ASN 46 2.798 8.413 4.571 369 2HB ASN 46 1HB ASN 46 2.656 6.927 5.423 370 1HD2 ASN 46 2HD2 ASN 46 -1.099 7.638 4.072 371 2HD2 ASN 46 1HD2 ASN 46 -0.511 8.442 5.464 372 H LYS 47 H LYS 47 2.926 10.333 5.272 373 HA LYS 47 HA LYS 47 0.812 12.246 5.254 374 1HB LYS 47 2HB LYS 47 2.695 13.900 4.620 375 2HB LYS 47 1HB LYS 47 2.634 13.277 6.247 376 1HG LYS 47 2HG LYS 47 4.116 11.580 4.369 377 2HG LYS 47 1HG LYS 47 4.869 13.137 4.611 378 1HD LYS 47 2HD LYS 47 3.950 11.383 6.924 379 2HD LYS 47 1HD LYS 47 5.541 11.184 6.214 380 1HE LYS 47 1HE LYS 47 6.103 13.562 6.770 381 2HE LYS 47 2HE LYS 47 4.511 13.782 7.482 382 1HZ LYS 47 1HZ LYS 47 6.546 11.867 8.409 383 2HZ LYS 47 3HZ LYS 47 6.175 13.368 9.111 384 3HZ LYS 47 2HZ LYS 47 5.020 12.127 9.103 385 H GLY 48 H GLY 48 0.476 10.163 3.574 386 1HA GLY 48 2HA GLY 48 -0.620 10.269 1.497 387 2HA GLY 48 1HA GLY 48 0.454 11.619 0.964 388 H ALA 49 H ALA 49 1.838 8.999 2.646 389 HA ALA 49 HA ALA 49 3.366 8.225 0.252 390 1HB ALA 49 2HB ALA 49 4.204 8.117 2.758 391 2HB ALA 49 1HB ALA 49 3.418 6.520 2.828 392 3HB ALA 49 3HB ALA 49 4.705 6.824 1.696 393 H PHE 50 H PHE 50 3.672 5.900 -0.288 394 HA PHE 50 HA PHE 50 1.328 4.196 -0.099 395 1HB PHE 50 2HB PHE 50 2.048 5.274 -2.869 396 2HB PHE 50 1HB PHE 50 1.119 3.835 -2.630 397 HD1 PHE 50 HD2 PHE 50 1.174 7.484 -2.081 398 HD2 PHE 50 HD1 PHE 50 -1.172 3.923 -2.021 399 HE1 PHE 50 HE2 PHE 50 -0.879 8.836 -1.850 400 HE2 PHE 50 HE1 PHE 50 -3.217 5.262 -1.802 401 HZ PHE 50 HZ PHE 50 -3.072 7.729 -1.698 402 H SER 51 H SER 51 1.692 2.229 -1.659 403 HA SER 51 HA SER 51 4.462 1.253 -1.719 404 1HB SER 51 2HB SER 51 2.550 -0.959 -0.838 405 2HB SER 51 1HB SER 51 4.082 -0.551 -0.376 406 HG SER 51 HG SER 51 2.089 1.212 1.032 407 H LEU 52 H LEU 52 4.658 -0.280 -3.590 408 HA LEU 52 HA LEU 52 1.992 -0.830 -4.896 409 1HB LEU 52 2HB LEU 52 3.354 1.232 -5.712 410 2HB LEU 52 1HB LEU 52 4.650 0.192 -6.186 411 HG LEU 52 HG LEU 52 3.269 -0.768 -7.976 412 1HD1 LEU 52 2HD1 LEU 52 1.045 0.678 -6.557 413 2HD1 LEU 52 1HD1 LEU 52 0.876 0.413 -8.272 414 3HD1 LEU 52 3HD1 LEU 52 1.086 -0.970 -7.208 415 1HD2 LEU 52 2HD2 LEU 52 3.113 2.293 -7.838 416 2HD2 LEU 52 1HD2 LEU 52 4.373 1.340 -8.601 417 3HD2 LEU 52 3HD2 LEU 52 2.765 1.398 -9.299 418 H SER 53 H SER 53 1.638 -2.698 -5.092 419 HA SER 53 HA SER 53 3.671 -4.824 -5.214 420 1HB SER 53 1HB SER 53 0.664 -5.243 -5.039 421 2HB SER 53 2HB SER 53 1.849 -6.194 -4.359 422 HG SER 53 HG SER 53 1.828 -3.641 -2.842 423 H VAL 54 H VAL 54 4.002 -6.005 -6.980 424 HA VAL 54 HA VAL 54 2.144 -5.735 -9.315 425 HB VAL 54 HB VAL 54 5.191 -5.460 -9.713 426 1HG1 VAL 54 3HG1 VAL 54 2.956 -5.512 -11.735 427 2HG1 VAL 54 2HG1 VAL 54 4.609 -4.910 -12.025 428 3HG1 VAL 54 1HG1 VAL 54 4.340 -6.563 -11.603 429 1HG2 VAL 54 3HG2 VAL 54 3.065 -3.388 -9.501 430 2HG2 VAL 54 2HG2 VAL 54 4.555 -3.531 -8.593 431 3HG2 VAL 54 1HG2 VAL 54 4.635 -3.222 -10.309 432 H LYS 55 H LYS 55 2.093 -7.678 -10.670 433 HA LYS 55 HA LYS 55 3.044 -9.983 -9.197 434 1HB LYS 55 2HB LYS 55 0.880 -9.869 -10.300 435 2HB LYS 55 1HB LYS 55 1.666 -9.228 -11.701 436 1HG LYS 55 2HG LYS 55 0.739 -11.527 -11.984 437 2HG LYS 55 1HG LYS 55 2.373 -11.284 -12.499 438 1HD LYS 55 2HD LYS 55 2.169 -13.375 -11.432 439 2HD LYS 55 1HD LYS 55 3.220 -12.402 -10.441 440 1HE LYS 55 1HE LYS 55 0.244 -12.897 -9.935 441 2HE LYS 55 2HE LYS 55 1.521 -13.781 -9.149 442 1HZ LYS 55 3HZ LYS 55 2.329 -11.809 -8.162 443 2HZ LYS 55 2HZ LYS 55 1.081 -10.900 -8.869 444 3HZ LYS 55 1HZ LYS 55 0.719 -12.112 -7.733 445 H ASP 56 H ASP 56 5.450 -10.221 -9.235 446 HA ASP 56 HA ASP 56 6.550 -10.077 -11.965 447 1HB ASP 56 2HB ASP 56 7.843 -9.622 -9.607 448 2HB ASP 56 1HB ASP 56 8.324 -11.265 -9.868 449 H ILE 57 H ILE 57 6.829 -11.648 -13.314 450 HA ILE 57 HA ILE 57 6.227 -14.414 -12.367 451 HB ILE 57 HB ILE 57 5.593 -13.218 -15.082 452 1HG1 ILE 57 1HG1 ILE 57 3.964 -13.620 -12.568 453 2HG1 ILE 57 2HG1 ILE 57 4.126 -12.165 -13.505 454 1HG2 ILE 57 2HG2 ILE 57 6.025 -15.702 -15.111 455 2HG2 ILE 57 1HG2 ILE 57 4.794 -15.916 -13.870 456 3HG2 ILE 57 3HG2 ILE 57 4.357 -15.334 -15.476 457 1HD1 ILE 57 1HD1 ILE 57 2.807 -13.299 -15.368 458 2HD1 ILE 57 3HD1 ILE 57 2.536 -14.640 -14.228 459 3HD1 ILE 57 2HD1 ILE 57 1.915 -13.030 -13.870 460 H THR 58 H THR 58 8.183 -14.570 -11.775 461 HA THR 58 HA THR 58 10.397 -14.715 -13.721 462 HB THR 58 HB THR 58 11.012 -13.452 -11.895 463 HG1 THR 58 HG1 THR 58 12.171 -16.090 -11.183 464 1HG2 THR 58 2HG2 THR 58 9.368 -15.173 -9.986 465 2HG2 THR 58 1HG2 THR 58 10.498 -13.925 -9.441 466 3HG2 THR 58 3HG2 THR 58 9.178 -13.520 -10.483 467 H THR 59 H THR 59 11.989 -16.493 -13.239 468 HA THR 59 HA THR 59 10.562 -18.972 -13.642 469 HB THR 59 HB THR 59 12.454 -18.835 -14.920 470 HG1 THR 59 HG1 THR 59 13.118 -20.886 -12.845 471 1HG2 THR 59 1HG2 THR 59 13.705 -17.061 -13.945 472 2HG2 THR 59 3HG2 THR 59 14.318 -18.001 -12.589 473 3HG2 THR 59 2HG2 THR 59 14.773 -18.379 -14.228 474 H GLN 60 H GLN 60 11.401 -17.353 -10.786 475 HA GLN 60 HA GLN 60 11.650 -19.969 -9.338 476 1HB GLN 60 2HB GLN 60 12.490 -17.270 -8.259 477 2HB GLN 60 1HB GLN 60 12.588 -18.775 -7.454 478 1HG GLN 60 2HG GLN 60 14.246 -19.703 -8.908 479 2HG GLN 60 1HG GLN 60 14.034 -18.518 -10.144 480 1HE2 GLN 60 2HE2 GLN 60 16.497 -17.865 -6.978 481 2HE2 GLN 60 1HE2 GLN 60 15.535 -19.295 -7.158 482 H GLY 61 H GLY 61 9.285 -19.438 -10.317 483 1HA GLY 61 2HA GLY 61 7.145 -19.822 -9.563 484 2HA GLY 61 1HA GLY 61 7.647 -19.375 -7.887 485 H GLU 62 H GLU 62 5.169 -18.569 -9.071 486 HA GLU 62 HA GLU 62 5.433 -15.909 -10.078 487 1HB GLU 62 2HB GLU 62 3.540 -17.794 -10.323 488 2HB GLU 62 1HB GLU 62 2.866 -17.022 -8.888 489 1HG GLU 62 2HG GLU 62 3.105 -14.812 -10.054 490 2HG GLU 62 1HG GLU 62 3.633 -15.654 -11.485 491 H VAL 63 H VAL 63 5.653 -14.054 -8.933 492 HA VAL 63 HA VAL 63 5.015 -14.028 -6.026 493 HB VAL 63 HB VAL 63 7.074 -12.697 -5.724 494 1HG1 VAL 63 2HG1 VAL 63 7.303 -15.145 -5.513 495 2HG1 VAL 63 1HG1 VAL 63 7.812 -15.246 -7.198 496 3HG1 VAL 63 3HG1 VAL 63 8.794 -14.366 -6.040 497 1HG2 VAL 63 3HG2 VAL 63 7.112 -11.641 -8.103 498 2HG2 VAL 63 2HG2 VAL 63 8.660 -12.174 -7.496 499 3HG2 VAL 63 1HG2 VAL 63 7.783 -13.152 -8.668 500 H VAL 64 H VAL 64 5.575 -11.534 -5.514 501 HA VAL 64 HA VAL 64 4.141 -9.850 -7.439 502 HB VAL 64 HB VAL 64 3.939 -9.553 -4.383 503 1HG1 VAL 64 2HG1 VAL 64 2.616 -8.003 -6.663 504 2HG1 VAL 64 1HG1 VAL 64 1.903 -8.128 -5.108 505 3HG1 VAL 64 3HG1 VAL 64 3.441 -7.302 -5.230 506 1HG2 VAL 64 3HG2 VAL 64 2.646 -11.469 -5.334 507 2HG2 VAL 64 2HG2 VAL 64 1.642 -10.154 -4.684 508 3HG2 VAL 64 1HG2 VAL 64 1.852 -10.258 -6.409 509 H LYS 65 H LYS 65 4.858 -7.606 -6.325 510 HA LYS 65 HA LYS 65 7.787 -7.391 -5.739 511 1HB LYS 65 2HB LYS 65 6.242 -5.931 -7.956 512 2HB LYS 65 1HB LYS 65 7.711 -5.238 -7.369 513 1HG LYS 65 2HG LYS 65 7.498 -8.008 -8.524 514 2HG LYS 65 1HG LYS 65 8.022 -6.621 -9.416 515 1HD LYS 65 2HD LYS 65 9.910 -6.282 -7.740 516 2HD LYS 65 1HD LYS 65 9.440 -7.773 -6.957 517 1HE LYS 65 1HE LYS 65 11.361 -8.112 -8.471 518 2HE LYS 65 2HE LYS 65 9.976 -9.073 -8.961 519 1HZ LYS 65 3HZ LYS 65 9.456 -7.365 -10.574 520 2HZ LYS 65 2HZ LYS 65 10.881 -6.531 -10.159 521 3HZ LYS 65 1HZ LYS 65 10.951 -8.108 -10.820 522 H HIS 66 H HIS 66 8.426 -4.966 -5.249 523 HA HIS 66 HA HIS 66 6.258 -3.522 -3.935 524 1HB HIS 66 2HB HIS 66 8.748 -4.717 -2.506 525 2HB HIS 66 1HB HIS 66 7.817 -3.419 -1.799 526 HD1 HIS 66 HD1 HIS 66 7.980 -6.969 -1.689 527 HD2 HIS 66 HD2 HIS 66 4.904 -4.136 -1.738 528 HE1 HIS 66 HE1 HIS 66 5.914 -8.097 -0.725 529 H TYR 67 H TYR 67 6.523 -1.485 -4.386 530 HA TYR 67 HA TYR 67 9.276 -0.334 -4.609 531 1HB TYR 67 2HB TYR 67 6.965 0.836 -6.214 532 2HB TYR 67 1HB TYR 67 8.664 1.010 -6.487 533 HD1 TYR 67 HD1 TYR 67 9.606 -1.834 -6.598 534 HD2 TYR 67 HD2 TYR 67 6.023 -0.042 -8.049 535 HE1 TYR 67 HE1 TYR 67 9.429 -3.601 -8.216 536 HE2 TYR 67 HE2 TYR 67 5.776 -1.722 -9.673 537 HH TYR 67 HH TYR 67 7.826 -3.685 -10.921 538 H LYS 68 H LYS 68 9.581 1.358 -3.277 539 HA LYS 68 HA LYS 68 7.347 2.196 -1.628 540 1HB LYS 68 2HB LYS 68 8.926 3.740 -0.484 541 2HB LYS 68 1HB LYS 68 9.353 2.050 -0.460 542 1HG LYS 68 2HG LYS 68 11.332 3.149 -0.888 543 2HG LYS 68 1HG LYS 68 10.872 2.487 -2.442 544 1HD LYS 68 2HD LYS 68 10.228 4.642 -3.295 545 2HD LYS 68 1HD LYS 68 10.044 5.296 -1.702 546 1HE LYS 68 1HE LYS 68 12.038 6.303 -2.413 547 2HE LYS 68 2HE LYS 68 12.654 4.948 -1.477 548 1HZ LYS 68 2HZ LYS 68 12.264 5.006 -4.404 549 2HZ LYS 68 1HZ LYS 68 13.751 5.168 -3.588 550 3HZ LYS 68 3HZ LYS 68 12.887 3.707 -3.513 551 H ILE 69 H ILE 69 6.553 4.218 -1.380 552 HA ILE 69 HA ILE 69 7.014 6.192 -3.340 553 HB ILE 69 HB ILE 69 4.390 6.410 -3.531 554 1HG1 ILE 69 1HG1 ILE 69 5.150 3.563 -4.004 555 2HG1 ILE 69 2HG1 ILE 69 3.908 4.209 -2.990 556 1HG2 ILE 69 3HG2 ILE 69 5.740 7.458 -5.012 557 2HG2 ILE 69 2HG2 ILE 69 6.422 5.971 -5.628 558 3HG2 ILE 69 1HG2 ILE 69 4.728 6.391 -5.928 559 1HD1 ILE 69 2HD1 ILE 69 4.044 4.353 -6.020 560 2HD1 ILE 69 1HD1 ILE 69 3.036 3.260 -5.084 561 3HD1 ILE 69 3HD1 ILE 69 2.700 4.997 -5.055 562 H ARG 70 H ARG 70 6.910 8.050 -2.896 563 HA ARG 70 HA ARG 70 5.895 8.904 -0.244 564 1HB ARG 70 2HB ARG 70 8.412 9.821 -1.769 565 2HB ARG 70 1HB ARG 70 7.742 10.700 -0.443 566 1HG ARG 70 2HG ARG 70 9.279 9.445 0.736 567 2HG ARG 70 1HG ARG 70 7.905 8.354 0.858 568 1HD ARG 70 2HD ARG 70 8.694 7.173 -1.181 569 2HD ARG 70 1HD ARG 70 10.120 8.195 -1.236 570 HE ARG 70 HE ARG 70 9.552 5.971 0.553 571 1HH1 ARG 70 1HH2 ARG 70 11.467 8.902 0.139 572 2HH1 ARG 70 2HH2 ARG 70 12.660 8.439 1.306 573 1HH2 ARG 70 2HH1 ARG 70 11.149 5.367 2.032 574 2HH2 ARG 70 1HH1 ARG 70 12.487 6.412 2.370 575 H SER 71 H SER 71 5.457 10.981 -0.189 576 HA SER 71 HA SER 71 4.211 12.057 -2.685 577 1HB SER 71 2HB SER 71 2.513 13.116 -0.963 578 2HB SER 71 1HB SER 71 2.357 11.498 -1.391 579 HG SER 71 HG SER 71 3.930 11.457 1.105 580 H LEU 72 H LEU 72 5.300 13.843 -3.357 581 HA LEU 72 HA LEU 72 6.731 15.438 -1.374 582 1HB LEU 72 2HB LEU 72 7.025 15.596 -4.399 583 2HB LEU 72 1HB LEU 72 8.181 16.014 -3.175 584 HG LEU 72 HG LEU 72 8.987 14.129 -4.034 585 1HD1 LEU 72 3HD1 LEU 72 8.606 14.231 -1.452 586 2HD1 LEU 72 2HD1 LEU 72 7.609 12.804 -1.699 587 3HD1 LEU 72 1HD1 LEU 72 9.292 12.787 -2.161 588 1HD2 LEU 72 3HD2 LEU 72 6.488 13.561 -5.024 589 2HD2 LEU 72 2HD2 LEU 72 7.818 12.459 -5.133 590 3HD2 LEU 72 1HD2 LEU 72 6.667 12.283 -3.812 591 H ASP 73 H ASP 73 6.414 17.417 -1.132 592 HA ASP 73 HA ASP 73 3.878 18.607 -1.850 593 1HB ASP 73 2HB ASP 73 4.828 20.700 -0.760 594 2HB ASP 73 1HB ASP 73 4.926 19.284 0.270 595 H ASN 74 H ASN 74 7.100 18.740 -3.052 596 HA ASN 74 HA ASN 74 6.389 20.742 -5.107 597 1HB ASN 74 2HB ASN 74 8.886 21.057 -5.266 598 2HB ASN 74 1HB ASN 74 8.284 21.326 -3.643 599 1HD2 ASN 74 2HD2 ASN 74 10.145 18.841 -2.091 600 2HD2 ASN 74 1HD2 ASN 74 8.994 20.110 -1.959 601 H GLY 75 H GLY 75 6.328 17.531 -4.896 602 1HA GLY 75 2HA GLY 75 6.819 17.262 -7.799 603 2HA GLY 75 1HA GLY 75 7.968 16.358 -6.763 604 H GLY 76 H GLY 76 4.634 16.614 -5.801 605 1HA GLY 76 2HA GLY 76 2.830 15.208 -5.904 606 2HA GLY 76 1HA GLY 76 3.558 14.563 -7.399 607 H TYR 77 H TYR 77 4.997 12.836 -7.420 608 HA TYR 77 HA TYR 77 5.289 11.294 -5.016 609 1HB TYR 77 2HB TYR 77 3.693 10.007 -7.336 610 2HB TYR 77 1HB TYR 77 4.324 9.157 -5.961 611 HD1 TYR 77 HD2 TYR 77 1.984 11.703 -7.003 612 HD2 TYR 77 HD1 TYR 77 3.204 9.161 -3.863 613 HE1 TYR 77 HE2 TYR 77 -0.117 12.202 -5.937 614 HE2 TYR 77 HE1 TYR 77 1.195 9.617 -2.650 615 HH TYR 77 HH TYR 77 -0.666 12.103 -2.838 616 H TYR 78 H TYR 78 6.809 9.908 -5.125 617 HA TYR 78 HA TYR 78 8.016 9.332 -7.800 618 1HB TYR 78 2HB TYR 78 10.146 10.099 -7.332 619 2HB TYR 78 1HB TYR 78 9.197 11.340 -6.596 620 HD1 TYR 78 HD2 TYR 78 11.104 8.245 -5.952 621 HD2 TYR 78 HD1 TYR 78 9.584 11.856 -4.226 622 HE1 TYR 78 HE2 TYR 78 12.311 7.725 -4.048 623 HE2 TYR 78 HE1 TYR 78 10.842 11.430 -2.229 624 HH TYR 78 HH TYR 78 13.358 9.583 -1.812 625 H ILE 79 H ILE 79 8.610 7.357 -8.144 626 HA ILE 79 HA ILE 79 8.481 5.497 -5.819 627 HB ILE 79 HB ILE 79 8.789 3.685 -7.702 628 1HG1 ILE 79 1HG1 ILE 79 7.198 5.852 -9.111 629 2HG1 ILE 79 2HG1 ILE 79 8.808 5.380 -9.589 630 1HG2 ILE 79 1HG2 ILE 79 6.898 3.780 -6.041 631 2HG2 ILE 79 3HG2 ILE 79 5.993 4.666 -7.273 632 3HG2 ILE 79 2HG2 ILE 79 6.566 3.042 -7.581 633 1HD1 ILE 79 3HD1 ILE 79 7.566 2.906 -9.491 634 2HD1 ILE 79 2HD1 ILE 79 6.199 3.956 -9.867 635 3HD1 ILE 79 1HD1 ILE 79 7.656 3.845 -10.930 636 H SER 80 H SER 80 10.442 5.819 -8.759 637 HA SER 80 HA SER 80 12.830 5.175 -7.130 638 1HB SER 80 2HB SER 80 13.056 5.919 -10.072 639 2HB SER 80 1HB SER 80 14.017 4.877 -9.176 640 HG SER 80 HG SER 80 11.401 3.511 -9.625 641 HA PRO 81 HA PRO 81 13.071 9.574 -6.517 642 1HB PRO 81 2HB PRO 81 16.014 9.496 -6.321 643 2HB PRO 81 1HB PRO 81 14.794 9.899 -5.088 644 1HG PRO 81 2HG PRO 81 16.214 7.555 -4.983 645 2HG PRO 81 1HG PRO 81 14.548 7.684 -4.425 646 1HD PRO 81 1HD PRO 81 15.500 6.556 -7.040 647 2HD PRO 81 2HD PRO 81 14.244 5.964 -5.922 648 H ARG 82 H ARG 82 14.932 8.222 -9.094 649 HA ARG 82 HA ARG 82 15.392 10.869 -10.265 650 1HB ARG 82 2HB ARG 82 16.522 9.831 -12.089 651 2HB ARG 82 1HB ARG 82 17.134 9.244 -10.578 652 1HG ARG 82 2HG ARG 82 15.186 7.692 -12.370 653 2HG ARG 82 1HG ARG 82 16.915 7.530 -12.385 654 1HD ARG 82 2HD ARG 82 16.727 6.995 -9.818 655 2HD ARG 82 1HD ARG 82 15.034 6.669 -10.154 656 HE ARG 82 HE ARG 82 17.331 5.096 -10.816 657 1HH1 ARG 82 1HH2 ARG 82 14.057 5.836 -11.921 658 2HH1 ARG 82 2HH2 ARG 82 13.883 4.347 -12.788 659 1HH2 ARG 82 2HH1 ARG 82 17.066 3.167 -11.943 660 2HH2 ARG 82 1HH1 ARG 82 15.595 2.820 -12.785 661 H ILE 83 H ILE 83 12.709 8.836 -10.117 662 HA ILE 83 HA ILE 83 11.499 10.164 -12.430 663 HB ILE 83 HB ILE 83 10.260 8.440 -13.047 664 1HG1 ILE 83 1HG1 ILE 83 11.316 6.828 -10.688 665 2HG1 ILE 83 2HG1 ILE 83 9.664 7.327 -10.950 666 1HG2 ILE 83 3HG2 ILE 83 12.591 8.598 -13.866 667 2HG2 ILE 83 2HG2 ILE 83 13.020 7.285 -12.763 668 3HG2 ILE 83 1HG2 ILE 83 11.839 7.033 -14.055 669 1HD1 ILE 83 1HD1 ILE 83 9.859 6.204 -13.244 670 2HD1 ILE 83 3HD1 ILE 83 11.219 5.329 -12.569 671 3HD1 ILE 83 2HD1 ILE 83 9.610 5.143 -11.840 672 H THR 84 H THR 84 10.207 11.514 -11.914 673 HA THR 84 HA THR 84 8.497 11.313 -9.468 674 HB THR 84 HB THR 84 9.409 13.990 -10.498 675 HG1 THR 84 HG1 THR 84 11.561 12.302 -9.267 676 1HG2 THR 84 3HG2 THR 84 8.763 12.991 -7.728 677 2HG2 THR 84 2HG2 THR 84 9.432 14.594 -8.067 678 3HG2 THR 84 1HG2 THR 84 7.951 14.082 -8.834 679 H PHE 85 H PHE 85 6.641 12.530 -9.576 680 HA PHE 85 HA PHE 85 5.487 13.187 -12.210 681 1HB PHE 85 2HB PHE 85 4.376 10.761 -10.652 682 2HB PHE 85 1HB PHE 85 3.683 11.399 -12.124 683 HD1 PHE 85 HD2 PHE 85 6.644 9.700 -10.688 684 HD2 PHE 85 HD1 PHE 85 4.663 10.832 -14.304 685 HE1 PHE 85 HE2 PHE 85 8.461 8.772 -11.960 686 HE2 PHE 85 HE1 PHE 85 6.377 9.618 -15.600 687 HZ PHE 85 HZ PHE 85 8.324 8.604 -14.446 688 HA PRO 86 HA PRO 86 3.338 15.928 -9.447 689 1HB PRO 86 2HB PRO 86 1.104 16.647 -10.912 690 2HB PRO 86 1HB PRO 86 2.741 17.138 -11.323 691 1HG PRO 86 2HG PRO 86 1.185 14.853 -12.516 692 2HG PRO 86 1HG PRO 86 2.125 16.077 -13.378 693 1HD PRO 86 1HD PRO 86 3.161 13.598 -12.866 694 2HD PRO 86 2HD PRO 86 4.191 15.040 -12.838 695 H THR 87 H THR 87 1.919 12.949 -10.371 696 HA THR 87 HA THR 87 0.503 12.774 -7.876 697 HB THR 87 HB THR 87 -1.301 13.782 -8.856 698 HG1 THR 87 HG1 THR 87 -1.993 10.895 -8.980 699 1HG2 THR 87 3HG2 THR 87 -0.735 12.392 -11.487 700 2HG2 THR 87 2HG2 THR 87 -2.240 13.288 -11.149 701 3HG2 THR 87 1HG2 THR 87 -0.689 14.070 -11.030 702 H LEU 88 H LEU 88 -0.456 10.527 -7.663 703 HA LEU 88 HA LEU 88 1.375 8.610 -8.692 704 1HB LEU 88 2HB LEU 88 -1.505 7.991 -7.774 705 2HB LEU 88 1HB LEU 88 -0.321 6.827 -8.198 706 HG LEU 88 HG LEU 88 -0.162 8.695 -5.820 707 1HD1 LEU 88 3HD1 LEU 88 -1.934 6.876 -5.880 708 2HD1 LEU 88 2HD1 LEU 88 -0.654 5.741 -6.249 709 3HD1 LEU 88 1HD1 LEU 88 -0.690 6.509 -4.657 710 1HD2 LEU 88 3HD2 LEU 88 1.546 6.295 -6.667 711 2HD2 LEU 88 2HD2 LEU 88 2.142 7.964 -6.597 712 3HD2 LEU 88 1HD2 LEU 88 1.676 7.107 -5.118 713 H GLN 89 H GLN 89 -1.743 9.937 -9.944 714 HA GLN 89 HA GLN 89 -2.087 7.551 -11.604 715 1HB GLN 89 2HB GLN 89 -3.981 8.374 -12.500 716 2HB GLN 89 1HB GLN 89 -3.987 8.932 -10.847 717 1HG GLN 89 2HG GLN 89 -2.824 11.035 -12.374 718 2HG GLN 89 1HG GLN 89 -4.103 10.309 -13.365 719 1HE2 GLN 89 2HE2 GLN 89 -4.956 11.978 -9.663 720 2HE2 GLN 89 1HE2 GLN 89 -3.462 11.190 -10.054 721 H ALA 90 H ALA 90 -0.514 10.580 -12.018 722 HA ALA 90 HA ALA 90 0.026 10.277 -14.835 723 1HB ALA 90 2HB ALA 90 1.564 11.891 -12.683 724 2HB ALA 90 1HB ALA 90 1.810 12.095 -14.410 725 3HB ALA 90 3HB ALA 90 0.257 12.508 -13.687 726 H LEU 91 H LEU 91 1.225 8.766 -12.111 727 HA LEU 91 HA LEU 91 3.756 7.855 -13.141 728 1HB LEU 91 2HB LEU 91 4.032 8.386 -10.996 729 2HB LEU 91 1HB LEU 91 2.418 8.292 -10.530 730 HG LEU 91 HG LEU 91 4.319 5.916 -10.681 731 1HD1 LEU 91 2HD1 LEU 91 5.009 7.629 -8.996 732 2HD1 LEU 91 1HD1 LEU 91 3.430 7.392 -8.214 733 3HD1 LEU 91 3HD1 LEU 91 4.579 6.059 -8.327 734 1HD2 LEU 91 1HD2 LEU 91 1.543 6.099 -9.450 735 2HD2 LEU 91 3HD2 LEU 91 2.073 5.064 -10.791 736 3HD2 LEU 91 2HD2 LEU 91 2.712 4.770 -9.217 737 H VAL 92 H VAL 92 0.518 6.575 -12.278 738 HA VAL 92 HA VAL 92 1.079 3.919 -13.130 739 HB VAL 92 HB VAL 92 -1.575 5.300 -12.412 740 1HG1 VAL 92 2HG1 VAL 92 -1.840 2.878 -13.159 741 2HG1 VAL 92 1HG1 VAL 92 -0.670 2.473 -11.836 742 3HG1 VAL 92 3HG1 VAL 92 -2.204 3.179 -11.463 743 1HG2 VAL 92 1HG2 VAL 92 0.411 3.971 -10.534 744 2HG2 VAL 92 3HG2 VAL 92 -0.138 5.658 -10.488 745 3HG2 VAL 92 2HG2 VAL 92 -1.195 4.396 -10.092 746 H GLN 93 H GLN 93 0.601 6.722 -14.813 747 HA GLN 93 HA GLN 93 -1.170 5.714 -16.881 748 1HB GLN 93 2HB GLN 93 -1.432 7.821 -17.751 749 2HB GLN 93 1HB GLN 93 -1.203 8.228 -16.088 750 1HG GLN 93 2HG GLN 93 1.253 8.714 -16.636 751 2HG GLN 93 1HG GLN 93 0.864 8.472 -18.324 752 1HE2 GLN 93 2HE2 GLN 93 0.866 12.031 -17.718 753 2HE2 GLN 93 1HE2 GLN 93 1.974 10.703 -17.693 754 H HIS 94 H HIS 94 2.033 6.931 -16.213 755 HA HIS 94 HA HIS 94 3.309 6.569 -18.646 756 1HB HIS 94 2HB HIS 94 4.233 7.840 -16.653 757 2HB HIS 94 1HB HIS 94 4.503 6.340 -15.800 758 HD1 HIS 94 HD1 HIS 94 7.064 6.729 -15.762 759 HD2 HIS 94 HD2 HIS 94 5.466 6.540 -19.638 760 HE1 HIS 94 HE1 HIS 94 9.012 6.548 -17.367 761 H TYR 95 H TYR 95 2.963 4.423 -15.833 762 HA TYR 95 HA TYR 95 4.342 2.267 -17.179 763 1HB TYR 95 2HB TYR 95 2.640 2.007 -14.684 764 2HB TYR 95 1HB TYR 95 3.916 0.909 -15.202 765 HD1 TYR 95 HD1 TYR 95 5.960 3.110 -16.072 766 HD2 TYR 95 HD2 TYR 95 3.547 2.596 -12.578 767 HE1 TYR 95 HE1 TYR 95 7.402 4.546 -14.957 768 HE2 TYR 95 HE2 TYR 95 4.884 4.101 -11.403 769 HH TYR 95 HH TYR 95 6.640 6.403 -12.618 770 H SER 96 H SER 96 1.097 3.414 -17.368 771 HA SER 96 HA SER 96 0.136 0.796 -18.305 772 1HB SER 96 2HB SER 96 -1.043 3.566 -19.096 773 2HB SER 96 1HB SER 96 -1.786 2.069 -19.292 774 HG SER 96 HG SER 96 -1.465 2.614 -16.357 775 H LYS 97 H LYS 97 2.218 2.987 -19.670 776 HA LYS 97 HA LYS 97 2.000 1.431 -22.221 777 1HB LYS 97 2HB LYS 97 2.787 4.354 -21.612 778 2HB LYS 97 1HB LYS 97 3.172 3.647 -23.157 779 1HG LYS 97 2HG LYS 97 0.341 3.830 -22.039 780 2HG LYS 97 1HG LYS 97 1.055 4.982 -23.153 781 1HD LYS 97 2HD LYS 97 1.531 2.990 -24.715 782 2HD LYS 97 1HD LYS 97 0.546 2.028 -23.654 783 1HE LYS 97 1HE LYS 97 -0.908 2.731 -25.455 784 2HE LYS 97 2HE LYS 97 -1.386 3.687 -24.054 785 1HZ LYS 97 3HZ LYS 97 -0.011 5.473 -24.903 786 2HZ LYS 97 2HZ LYS 97 0.364 4.540 -26.268 787 3HZ LYS 97 1HZ LYS 97 -1.240 5.019 -25.986 788 H LYS 98 H LYS 98 4.337 3.308 -20.586 789 HA LYS 98 HA LYS 98 6.372 1.118 -21.069 790 1HB LYS 98 2HB LYS 98 6.346 3.522 -22.285 791 2HB LYS 98 1HB LYS 98 7.089 4.081 -20.815 792 1HG LYS 98 2HG LYS 98 8.063 1.871 -22.648 793 2HG LYS 98 1HG LYS 98 8.772 3.475 -22.472 794 1HD LYS 98 2HD LYS 98 9.281 2.854 -20.066 795 2HD LYS 98 1HD LYS 98 8.668 1.239 -20.455 796 1HE LYS 98 1HE LYS 98 10.994 1.027 -20.677 797 2HE LYS 98 2HE LYS 98 10.373 1.156 -22.321 798 1HZ LYS 98 3HZ LYS 98 10.973 3.493 -22.289 799 2HZ LYS 98 2HZ LYS 98 11.551 3.345 -20.707 800 3HZ LYS 98 1HZ LYS 98 12.325 2.517 -21.971 801 H GLY 99 H GLY 99 6.519 0.118 -19.200 802 1HA GLY 99 2HA GLY 99 6.067 0.994 -16.592 803 2HA GLY 99 1HA GLY 99 7.213 -0.315 -17.037 804 H ASP 100 H ASP 100 8.732 1.284 -18.629 805 HA ASP 100 HA ASP 100 10.868 2.104 -18.516 806 1HB ASP 100 2HB ASP 100 9.212 4.090 -18.289 807 2HB ASP 100 1HB ASP 100 9.677 4.200 -16.609 808 H GLY 101 H GLY 101 10.951 0.068 -17.180 809 1HA GLY 101 2HA GLY 101 12.607 -0.949 -15.849 810 2HA GLY 101 1HA GLY 101 12.938 0.623 -15.053 811 H LEU 102 H LEU 102 9.718 -0.770 -15.348 812 HA LEU 102 HA LEU 102 9.603 -1.175 -12.411 813 1HB LEU 102 2HB LEU 102 7.572 -0.678 -14.626 814 2HB LEU 102 1HB LEU 102 7.003 -1.534 -13.276 815 HG LEU 102 HG LEU 102 7.517 1.316 -13.560 816 1HD1 LEU 102 3HD1 LEU 102 6.005 -0.360 -11.544 817 2HD1 LEU 102 2HD1 LEU 102 5.848 1.375 -11.682 818 3HD1 LEU 102 1HD1 LEU 102 5.319 0.335 -13.018 819 1HD2 LEU 102 2HD2 LEU 102 8.442 0.051 -10.946 820 2HD2 LEU 102 1HD2 LEU 102 9.446 1.025 -12.051 821 3HD2 LEU 102 3HD2 LEU 102 8.090 1.757 -11.207 822 H CYS 103 H CYS 103 10.708 -3.067 -14.635 823 HA CYS 103 HA CYS 103 11.074 -5.236 -14.688 824 1HB CYS 103 2HB CYS 103 10.428 -6.814 -13.098 825 2HB CYS 103 1HB CYS 103 10.557 -5.327 -12.212 826 HG CYS 103 HG CYS 103 7.648 -7.001 -13.067 827 H GLN 104 H GLN 104 7.604 -4.534 -14.478 828 HA GLN 104 HA GLN 104 7.107 -5.444 -17.129 829 1HB GLN 104 2HB GLN 104 5.846 -7.097 -14.834 830 2HB GLN 104 1HB GLN 104 5.357 -7.165 -16.510 831 1HG GLN 104 2HG GLN 104 7.809 -7.893 -17.038 832 2HG GLN 104 1HG GLN 104 7.981 -8.159 -15.301 833 1HE2 GLN 104 2HE2 GLN 104 6.417 -11.236 -15.312 834 2HE2 GLN 104 1HE2 GLN 104 7.334 -10.018 -14.474 835 H LYS 105 H LYS 105 6.214 -3.827 -17.663 836 HA LYS 105 HA LYS 105 4.799 -2.026 -16.158 837 1HB LYS 105 2HB LYS 105 4.644 -0.779 -18.181 838 2HB LYS 105 1HB LYS 105 6.149 -1.668 -18.024 839 1HG LYS 105 2HG LYS 105 5.424 -1.463 -20.311 840 2HG LYS 105 1HG LYS 105 5.598 -3.155 -19.829 841 1HD LYS 105 2HD LYS 105 3.747 -2.585 -21.318 842 2HD LYS 105 1HD LYS 105 3.151 -3.341 -19.829 843 1HE LYS 105 1HE LYS 105 2.346 -1.280 -19.007 844 2HE LYS 105 2HE LYS 105 3.351 -0.326 -20.101 845 1HZ LYS 105 2HZ LYS 105 1.100 -2.098 -20.856 846 2HZ LYS 105 1HZ LYS 105 1.001 -0.417 -20.712 847 3HZ LYS 105 3HZ LYS 105 1.990 -1.095 -21.912 848 H LEU 106 H LEU 106 2.789 -1.224 -16.463 849 HA LEU 106 HA LEU 106 0.957 -3.079 -15.520 850 1HB LEU 106 2HB LEU 106 -0.175 -0.508 -16.744 851 2HB LEU 106 1HB LEU 106 -0.876 -1.495 -15.523 852 HG LEU 106 HG LEU 106 1.179 0.619 -15.313 853 1HD1 LEU 106 1HD1 LEU 106 -1.390 0.328 -14.183 854 2HD1 LEU 106 3HD1 LEU 106 -0.359 -0.111 -12.871 855 3HD1 LEU 106 2HD1 LEU 106 -0.082 1.431 -13.594 856 1HD2 LEU 106 3HD2 LEU 106 1.235 -1.871 -13.678 857 2HD2 LEU 106 2HD2 LEU 106 2.650 -1.106 -14.378 858 3HD2 LEU 106 1HD2 LEU 106 1.828 -0.346 -13.024 859 H THR 107 H THR 107 -0.936 -3.970 -16.219 860 HA THR 107 HA THR 107 -1.379 -3.981 -19.164 861 HB THR 107 HB THR 107 -1.807 -6.230 -19.264 862 HG1 THR 107 HG1 THR 107 -2.020 -6.657 -16.344 863 1HG2 THR 107 2HG2 THR 107 0.804 -5.722 -17.807 864 2HG2 THR 107 1HG2 THR 107 0.419 -7.249 -18.605 865 3HG2 THR 107 3HG2 THR 107 0.439 -5.728 -19.488 866 H LEU 108 H LEU 108 -2.749 -5.307 -16.277 867 HA LEU 108 HA LEU 108 -5.113 -3.543 -16.627 868 1HB LEU 108 2HB LEU 108 -5.407 -6.524 -16.151 869 2HB LEU 108 1HB LEU 108 -6.680 -5.422 -16.451 870 HG LEU 108 HG LEU 108 -4.574 -5.968 -18.564 871 1HD1 LEU 108 3HD1 LEU 108 -7.091 -7.566 -18.130 872 2HD1 LEU 108 2HD1 LEU 108 -6.012 -7.659 -19.530 873 3HD1 LEU 108 1HD1 LEU 108 -5.416 -8.108 -17.935 874 1HD2 LEU 108 1HD2 LEU 108 -6.085 -3.939 -18.771 875 2HD2 LEU 108 3HD2 LEU 108 -6.283 -5.100 -20.086 876 3HD2 LEU 108 2HD2 LEU 108 -7.471 -5.019 -18.778 877 HA PRO 109 HA PRO 109 -4.148 -3.610 -12.166 878 1HB PRO 109 2HB PRO 109 -6.868 -2.318 -11.938 879 2HB PRO 109 1HB PRO 109 -5.328 -1.732 -11.294 880 1HG PRO 109 2HG PRO 109 -6.429 -0.554 -13.491 881 2HG PRO 109 1HG PRO 109 -4.687 -0.772 -13.317 882 1HD PRO 109 1HD PRO 109 -6.522 -2.459 -15.083 883 2HD PRO 109 2HD PRO 109 -4.866 -1.900 -15.362 884 H CYS 110 H CYS 110 -4.827 -4.890 -10.509 885 HA CYS 110 HA CYS 110 -5.874 -7.331 -10.976 886 1HB CYS 110 2HB CYS 110 -4.862 -6.310 -8.787 887 2HB CYS 110 1HB CYS 110 -6.499 -6.010 -8.293 888 HG CYS 110 HG CYS 110 -7.301 -8.742 -8.459 889 H VAL 111 H VAL 111 -7.814 -8.491 -10.333 890 HA VAL 111 HA VAL 111 -10.084 -7.690 -11.630 891 HB VAL 111 HB VAL 111 -9.530 -9.956 -11.057 892 1HG1 VAL 111 1HG1 VAL 111 -8.832 -9.711 -8.665 893 2HG1 VAL 111 3HG1 VAL 111 -10.527 -9.532 -8.206 894 3HG1 VAL 111 2HG1 VAL 111 -9.964 -11.021 -8.920 895 1HG2 VAL 111 3HG2 VAL 111 -11.813 -9.468 -11.802 896 2HG2 VAL 111 2HG2 VAL 111 -11.838 -10.790 -10.640 897 3HG2 VAL 111 1HG2 VAL 111 -12.326 -9.170 -10.146 898 H ASN 112 H ASN 112 -10.803 -5.774 -11.275 899 HA ASN 112 HA ASN 112 -11.497 -4.710 -8.645 900 1HB ASN 112 2HB ASN 112 -12.246 -2.692 -10.182 901 2HB ASN 112 1HB ASN 112 -10.547 -3.059 -10.046 902 1HD2 ASN 112 2HD2 ASN 112 -9.975 -3.803 -13.382 903 2HD2 ASN 112 1HD2 ASN 112 -9.362 -3.729 -11.772 904 H LEU 113 H LEU 113 -12.960 -6.087 -7.947 905 HA LEU 113 HA LEU 113 -15.445 -6.602 -9.356 906 1HB LEU 113 2HB LEU 113 -14.554 -7.194 -6.481 907 2HB LEU 113 1HB LEU 113 -16.014 -7.828 -7.191 908 HG LEU 113 HG LEU 113 -13.204 -8.387 -8.237 909 1HD1 LEU 113 3HD1 LEU 113 -13.520 -9.372 -5.998 910 2HD1 LEU 113 2HD1 LEU 113 -14.984 -10.186 -6.549 911 3HD1 LEU 113 1HD1 LEU 113 -13.419 -10.618 -7.237 912 1HD2 LEU 113 3HD2 LEU 113 -15.912 -9.613 -8.984 913 2HD2 LEU 113 2HD2 LEU 113 -14.880 -8.647 -10.038 914 3HD2 LEU 113 1HD2 LEU 113 -14.356 -10.240 -9.517 915 H ALA 114 HN ALA 114 -16.217 -4.586 -9.729 916 HA ALA 114 HA ALA 114 -17.057 -2.921 -7.447 917 1HB ALA 114 1HB ALA 114 -17.111 -2.408 -10.479 918 2HB ALA 114 3HB ALA 114 -17.566 -1.224 -9.250 919 3HB ALA 114 2HB ALA 114 -15.908 -1.805 -9.347 No H/Q in entry = 919 Start of MODEL 14 1 1H GLY 1 3H GLY 1 -28.730 1.909 -10.257 2 2H GLY 1 2H GLY 1 -29.253 3.086 -9.157 3 3H GLY 1 1H GLY 1 -28.654 1.599 -8.585 4 1HA GLY 1 2HA GLY 1 -30.459 0.431 -9.523 5 2HA GLY 1 1HA GLY 1 -31.042 1.752 -8.439 6 H SER 2 H SER 2 -32.769 0.772 -9.962 7 HA SER 2 HA SER 2 -33.282 1.372 -12.559 8 1HB SER 2 2HB SER 2 -35.710 1.410 -11.826 9 2HB SER 2 1HB SER 2 -34.836 0.049 -11.333 10 HG SER 2 HG SER 2 -34.766 1.880 -9.021 11 H VAL 3 H VAL 3 -34.640 3.423 -9.921 12 HA VAL 3 HA VAL 3 -34.728 5.673 -11.792 13 HB VAL 3 HB VAL 3 -35.993 6.883 -10.264 14 1HG1 VAL 3 1HG1 VAL 3 -37.228 5.164 -11.497 15 2HG1 VAL 3 3HG1 VAL 3 -37.036 4.026 -10.172 16 3HG1 VAL 3 2HG1 VAL 3 -37.976 5.485 -9.936 17 1HG2 VAL 3 3HG2 VAL 3 -34.789 6.266 -8.077 18 2HG2 VAL 3 2HG2 VAL 3 -36.521 6.406 -7.997 19 3HG2 VAL 3 1HG2 VAL 3 -35.787 4.817 -8.020 20 H ALA 4 H ALA 4 -32.980 4.666 -8.920 21 HA ALA 4 HA ALA 4 -30.740 6.315 -9.593 22 1HB ALA 4 1HB ALA 4 -32.440 7.082 -7.129 23 2HB ALA 4 3HB ALA 4 -30.840 7.745 -7.441 24 3HB ALA 4 2HB ALA 4 -32.162 8.095 -8.539 25 HA PRO 5 HA PRO 5 -28.961 3.165 -6.941 26 1HB PRO 5 2HB PRO 5 -26.361 4.049 -6.710 27 2HB PRO 5 1HB PRO 5 -27.069 3.761 -8.266 28 1HG PRO 5 2HG PRO 5 -26.952 6.451 -6.904 29 2HG PRO 5 1HG PRO 5 -26.360 6.047 -8.533 30 1HD PRO 5 1HD PRO 5 -28.836 7.129 -8.121 31 2HD PRO 5 2HD PRO 5 -28.543 5.942 -9.410 32 H VAL 6 H VAL 6 -26.761 4.615 -5.144 33 HA VAL 6 HA VAL 6 -28.086 6.014 -3.111 34 HB VAL 6 HB VAL 6 -29.177 3.840 -2.630 35 1HG1 VAL 6 1HG1 VAL 6 -27.414 2.290 -3.480 36 2HG1 VAL 6 3HG1 VAL 6 -26.432 2.661 -2.062 37 3HG1 VAL 6 2HG1 VAL 6 -27.983 1.862 -1.875 38 1HG2 VAL 6 2HG2 VAL 6 -28.707 5.381 -0.737 39 2HG2 VAL 6 1HG2 VAL 6 -28.698 3.697 -0.228 40 3HG2 VAL 6 3HG2 VAL 6 -27.177 4.557 -0.438 41 H GLU 7 H GLU 7 -25.582 3.844 -4.149 42 HA GLU 7 HA GLU 7 -23.510 5.541 -2.924 43 1HB GLU 7 2HB GLU 7 -22.222 3.615 -2.352 44 2HB GLU 7 1HB GLU 7 -23.824 3.226 -1.809 45 1HG GLU 7 2HG GLU 7 -22.543 2.203 -4.421 46 2HG GLU 7 1HG GLU 7 -22.635 1.320 -2.929 47 H THR 8 H THR 8 -21.483 5.394 -3.892 48 HA THR 8 HA THR 8 -21.105 4.382 -6.535 49 HB THR 8 HB THR 8 -20.924 7.392 -6.662 50 HG1 THR 8 HG1 THR 8 -23.706 6.357 -6.412 51 1HG2 THR 8 3HG2 THR 8 -21.777 5.291 -8.724 52 2HG2 THR 8 2HG2 THR 8 -21.731 7.038 -9.004 53 3HG2 THR 8 1HG2 THR 8 -20.285 6.167 -8.558 54 H LEU 9 H LEU 9 -19.922 5.373 -3.693 55 HA LEU 9 HA LEU 9 -17.309 6.282 -4.665 56 1HB LEU 9 2HB LEU 9 -18.559 7.221 -2.647 57 2HB LEU 9 1HB LEU 9 -18.223 5.757 -1.777 58 HG LEU 9 HG LEU 9 -16.047 7.488 -3.038 59 1HD1 LEU 9 3HD1 LEU 9 -17.324 8.892 -1.473 60 2HD1 LEU 9 2HD1 LEU 9 -17.116 7.698 -0.194 61 3HD1 LEU 9 1HD1 LEU 9 -15.720 8.560 -0.837 62 1HD2 LEU 9 2HD2 LEU 9 -15.924 5.373 -0.821 63 2HD2 LEU 9 1HD2 LEU 9 -15.188 5.257 -2.419 64 3HD2 LEU 9 3HD2 LEU 9 -14.580 6.421 -1.265 65 H GLU 10 H GLU 10 -17.130 4.417 -5.881 66 HA GLU 10 HA GLU 10 -15.910 2.139 -4.425 67 1HB GLU 10 2HB GLU 10 -16.993 0.583 -6.063 68 2HB GLU 10 1HB GLU 10 -18.119 1.412 -5.029 69 1HG GLU 10 2HG GLU 10 -18.518 3.098 -6.963 70 2HG GLU 10 1HG GLU 10 -17.585 2.022 -7.984 71 H VAL 11 H VAL 11 -14.442 3.956 -4.944 72 HA VAL 11 HA VAL 11 -13.294 4.345 -7.493 73 HB VAL 11 HB VAL 11 -12.392 5.954 -6.191 74 1HG1 VAL 11 1HG1 VAL 11 -12.609 4.216 -3.708 75 2HG1 VAL 11 3HG1 VAL 11 -12.049 5.882 -3.727 76 3HG1 VAL 11 2HG1 VAL 11 -13.691 5.524 -4.202 77 1HG2 VAL 11 3HG2 VAL 11 -10.290 4.633 -6.735 78 2HG2 VAL 11 2HG2 VAL 11 -10.151 5.643 -5.301 79 3HG2 VAL 11 1HG2 VAL 11 -10.381 3.914 -5.125 80 H GLU 12 H GLU 12 -12.181 2.407 -4.805 81 HA GLU 12 HA GLU 12 -10.788 0.539 -4.664 82 1HB GLU 12 2HB GLU 12 -12.747 -0.322 -6.769 83 2HB GLU 12 1HB GLU 12 -11.776 -1.358 -5.740 84 1HG GLU 12 2HG GLU 12 -12.788 -0.137 -3.714 85 2HG GLU 12 1HG GLU 12 -13.926 0.599 -4.813 86 H LYS 13 H LYS 13 -10.876 -0.830 -7.323 87 HA LYS 13 HA LYS 13 -8.529 -1.675 -7.616 88 1HB LYS 13 2HB LYS 13 -10.516 -1.183 -9.719 89 2HB LYS 13 1HB LYS 13 -9.116 -2.197 -9.992 90 1HG LYS 13 2HG LYS 13 -10.864 -2.619 -7.491 91 2HG LYS 13 1HG LYS 13 -11.267 -3.348 -9.028 92 1HD LYS 13 2HD LYS 13 -9.015 -4.432 -9.127 93 2HD LYS 13 1HD LYS 13 -8.566 -3.754 -7.607 94 1HE LYS 13 1HE LYS 13 -10.548 -4.941 -6.529 95 2HE LYS 13 2HE LYS 13 -10.817 -5.746 -8.081 96 1HZ LYS 13 3HZ LYS 13 -8.631 -6.654 -7.953 97 2HZ LYS 13 2HZ LYS 13 -8.381 -5.928 -6.436 98 3HZ LYS 13 1HZ LYS 13 -9.577 -7.102 -6.617 99 H TRP 14 H TRP 14 -7.067 -0.916 -7.395 100 HA TRP 14 HA TRP 14 -5.041 -0.708 -7.936 101 1HB TRP 14 2HB TRP 14 -3.770 0.545 -9.264 102 2HB TRP 14 1HB TRP 14 -5.029 -0.214 -10.149 103 HD1 TRP 14 HD1 TRP 14 -6.606 1.457 -11.654 104 HE1 TRP 14 HE1 TRP 14 -6.217 3.874 -12.378 105 HE3 TRP 14 HE3 TRP 14 -3.135 2.774 -8.190 106 HZ2 TRP 14 HZ2 TRP 14 -4.446 6.138 -11.543 107 HZ3 TRP 14 HZ3 TRP 14 -2.192 5.059 -8.185 108 HH2 TRP 14 HH2 TRP 14 -2.931 6.720 -9.866 109 H PHE 15 H PHE 15 -7.117 1.878 -6.990 110 HA PHE 15 HA PHE 15 -5.016 2.861 -5.110 111 1HB PHE 15 2HB PHE 15 -5.946 4.357 -7.008 112 2HB PHE 15 1HB PHE 15 -7.424 4.463 -6.089 113 HD1 PHE 15 HD2 PHE 15 -3.719 4.844 -5.761 114 HD2 PHE 15 HD1 PHE 15 -7.572 6.133 -4.421 115 HE1 PHE 15 HE2 PHE 15 -2.671 6.682 -4.429 116 HE2 PHE 15 HE1 PHE 15 -6.525 7.950 -3.124 117 HZ PHE 15 HZ PHE 15 -4.067 8.231 -3.154 118 H PHE 16 H PHE 16 -5.456 1.219 -3.699 119 HA PHE 16 HA PHE 16 -8.013 1.336 -2.172 120 1HB PHE 16 2HB PHE 16 -5.563 -0.558 -1.915 121 2HB PHE 16 1HB PHE 16 -6.996 -0.693 -0.959 122 HD1 PHE 16 HD2 PHE 16 -8.715 -0.115 -3.813 123 HD2 PHE 16 HD1 PHE 16 -5.833 -2.881 -2.276 124 HE1 PHE 16 HE2 PHE 16 -9.575 -1.880 -5.311 125 HE2 PHE 16 HE1 PHE 16 -6.652 -4.595 -3.827 126 HZ PHE 16 HZ PHE 16 -8.543 -4.096 -5.339 127 H ARG 17 H ARG 17 -7.767 1.168 0.175 128 HA ARG 17 HA ARG 17 -5.885 3.143 1.174 129 1HB ARG 17 2HB ARG 17 -8.233 1.585 2.310 130 2HB ARG 17 1HB ARG 17 -7.127 2.200 3.480 131 1HG ARG 17 2HG ARG 17 -7.260 4.439 2.412 132 2HG ARG 17 1HG ARG 17 -8.605 3.884 1.431 133 1HD ARG 17 2HD ARG 17 -9.923 3.421 3.514 134 2HD ARG 17 1HD ARG 17 -8.541 3.842 4.518 135 HE ARG 17 HE ARG 17 -10.426 5.621 3.316 136 1HH1 ARG 17 1HH2 ARG 17 -6.993 5.382 4.190 137 2HH1 ARG 17 2HH2 ARG 17 -6.835 7.080 4.458 138 1HH2 ARG 17 2HH1 ARG 17 -10.143 7.838 3.661 139 2HH2 ARG 17 1HH1 ARG 17 -8.608 8.469 4.146 140 H THR 18 H THR 18 -5.421 1.798 3.798 141 HA THR 18 HA THR 18 -3.042 0.380 2.937 142 HB THR 18 HB THR 18 -2.317 1.699 4.576 143 HG1 THR 18 HG1 THR 18 -2.978 -0.705 6.190 144 1HG2 THR 18 1HG2 THR 18 -4.371 2.886 4.941 145 2HG2 THR 18 3HG2 THR 18 -4.984 1.759 6.102 146 3HG2 THR 18 2HG2 THR 18 -3.487 2.685 6.418 147 H ILE 19 H ILE 19 -4.273 -1.190 2.033 148 HA ILE 19 HA ILE 19 -5.547 -3.230 3.659 149 HB ILE 19 HB ILE 19 -5.562 -2.838 1.057 150 1HG1 ILE 19 1HG1 ILE 19 -5.475 -5.612 2.101 151 2HG1 ILE 19 2HG1 ILE 19 -6.865 -4.594 2.044 152 1HG2 ILE 19 2HG2 ILE 19 -2.955 -3.190 0.921 153 2HG2 ILE 19 1HG2 ILE 19 -3.435 -4.886 0.761 154 3HG2 ILE 19 3HG2 ILE 19 -4.031 -3.670 -0.381 155 1HD1 ILE 19 1HD1 ILE 19 -6.739 -4.514 -0.478 156 2HD1 ILE 19 3HD1 ILE 19 -5.353 -5.602 -0.437 157 3HD1 ILE 19 2HD1 ILE 19 -6.930 -6.162 0.117 158 H SER 20 H SER 20 -4.301 -5.536 3.829 159 HA SER 20 HA SER 20 -1.788 -4.656 5.114 160 1HB SER 20 2HB SER 20 -2.789 -6.691 6.117 161 2HB SER 20 1HB SER 20 -2.736 -7.549 4.657 162 HG SER 20 HG SER 20 0.101 -7.081 5.371 163 H ARG 21 H ARG 21 0.337 -5.371 4.455 164 HA ARG 21 HA ARG 21 0.723 -4.983 1.731 165 1HB ARG 21 2HB ARG 21 2.371 -4.648 3.594 166 2HB ARG 21 1HB ARG 21 2.836 -6.327 3.466 167 1HG ARG 21 2HG ARG 21 3.751 -6.048 1.300 168 2HG ARG 21 1HG ARG 21 2.743 -4.682 0.920 169 1HD ARG 21 2HD ARG 21 5.018 -3.885 1.199 170 2HD ARG 21 1HD ARG 21 4.069 -3.244 2.534 171 HE ARG 21 HE ARG 21 5.957 -5.542 2.612 172 1HH1 ARG 21 1HH2 ARG 21 4.204 -3.008 4.349 173 2HH1 ARG 21 2HH2 ARG 21 5.109 -3.214 5.812 174 1HH2 ARG 21 2HH1 ARG 21 7.092 -5.800 4.554 175 2HH2 ARG 21 1HH1 ARG 21 6.739 -4.816 5.929 176 H LYS 22 H LYS 22 0.253 -8.294 3.414 177 HA LYS 22 HA LYS 22 0.966 -9.500 0.928 178 1HB LYS 22 2HB LYS 22 0.749 -11.476 1.921 179 2HB LYS 22 1HB LYS 22 1.307 -10.482 3.274 180 1HG LYS 22 2HG LYS 22 -1.405 -11.643 2.651 181 2HG LYS 22 1HG LYS 22 -0.358 -12.110 3.961 182 1HD LYS 22 2HD LYS 22 -0.943 -10.205 5.248 183 2HD LYS 22 1HD LYS 22 -1.421 -9.337 3.792 184 1HE LYS 22 1HE LYS 22 -3.436 -10.003 5.110 185 2HE LYS 22 2HE LYS 22 -3.394 -10.677 3.494 186 1HZ LYS 22 2HZ LYS 22 -2.635 -12.739 4.360 187 2HZ LYS 22 1HZ LYS 22 -2.683 -12.132 5.941 188 3HZ LYS 22 3HZ LYS 22 -4.112 -12.263 5.039 189 H ASP 23 H ASP 23 -1.728 -7.954 2.172 190 HA ASP 23 HA ASP 23 -3.606 -9.776 1.130 191 1HB ASP 23 2HB ASP 23 -3.855 -6.843 2.042 192 2HB ASP 23 1HB ASP 23 -5.174 -7.473 1.140 193 H ALA 24 H ALA 24 -2.212 -6.863 0.159 194 HA ALA 24 HA ALA 24 -3.513 -6.416 -2.348 195 1HB ALA 24 1HB ALA 24 -0.749 -5.581 -1.288 196 2HB ALA 24 3HB ALA 24 -1.482 -4.926 -2.751 197 3HB ALA 24 2HB ALA 24 -2.290 -4.700 -1.199 198 H GLU 25 H GLU 25 -0.873 -8.399 -1.313 199 HA GLU 25 HA GLU 25 0.049 -9.145 -3.944 200 1HB GLU 25 2HB GLU 25 0.526 -10.412 -1.184 201 2HB GLU 25 1HB GLU 25 1.310 -10.946 -2.636 202 1HG GLU 25 2HG GLU 25 2.486 -8.803 -2.877 203 2HG GLU 25 1HG GLU 25 1.628 -8.109 -1.533 204 H ARG 26 H ARG 26 -2.375 -10.277 -1.590 205 HA ARG 26 HA ARG 26 -2.530 -12.932 -2.640 206 1HB ARG 26 2HB ARG 26 -4.203 -13.298 -1.082 207 2HB ARG 26 1HB ARG 26 -3.394 -11.927 -0.396 208 1HG ARG 26 2HG ARG 26 -5.462 -10.667 -1.824 209 2HG ARG 26 1HG ARG 26 -6.154 -12.195 -1.448 210 1HD ARG 26 2HD ARG 26 -5.093 -11.455 1.042 211 2HD ARG 26 1HD ARG 26 -5.587 -9.904 0.360 212 HE ARG 26 HE ARG 26 -7.243 -12.012 1.336 213 1HH1 ARG 26 1HH2 ARG 26 -7.041 -9.457 -1.075 214 2HH1 ARG 26 2HH2 ARG 26 -8.751 -9.154 -1.094 215 1HH2 ARG 26 2HH1 ARG 26 -9.483 -11.615 1.289 216 2HH2 ARG 26 1HH1 ARG 26 -10.142 -10.394 0.254 217 H GLN 27 H GLN 27 -3.939 -9.906 -3.293 218 HA GLN 27 HA GLN 27 -5.969 -10.845 -5.137 219 1HB GLN 27 2HB GLN 27 -4.822 -8.004 -4.969 220 2HB GLN 27 1HB GLN 27 -6.274 -8.510 -5.804 221 1HG GLN 27 2HG GLN 27 -7.134 -9.357 -3.499 222 2HG GLN 27 1HG GLN 27 -5.811 -8.435 -2.795 223 1HE2 GLN 27 2HE2 GLN 27 -8.320 -5.936 -2.541 224 2HE2 GLN 27 1HE2 GLN 27 -7.484 -7.207 -1.720 225 H LEU 28 H LEU 28 -2.660 -9.450 -5.633 226 HA LEU 28 HA LEU 28 -3.059 -9.594 -8.485 227 1HB LEU 28 2HB LEU 28 -0.587 -8.933 -6.895 228 2HB LEU 28 1HB LEU 28 -0.709 -8.719 -8.642 229 HG LEU 28 HG LEU 28 -2.606 -7.429 -6.678 230 1HD1 LEU 28 3HD1 LEU 28 -0.186 -6.689 -6.556 231 2HD1 LEU 28 2HD1 LEU 28 -0.319 -6.224 -8.249 232 3HD1 LEU 28 1HD1 LEU 28 -1.316 -5.416 -7.028 233 1HD2 LEU 28 3HD2 LEU 28 -2.230 -7.322 -9.687 234 2HD2 LEU 28 2HD2 LEU 28 -3.723 -7.645 -8.820 235 3HD2 LEU 28 1HD2 LEU 28 -3.045 -6.039 -8.817 236 H LEU 29 H LEU 29 -1.604 -11.766 -6.084 237 HA LEU 29 HA LEU 29 -0.384 -13.484 -8.001 238 1HB LEU 29 2HB LEU 29 -1.403 -13.908 -5.159 239 2HB LEU 29 1HB LEU 29 -0.475 -15.112 -6.006 240 HG LEU 29 HG LEU 29 0.595 -12.284 -5.560 241 1HD1 LEU 29 3HD1 LEU 29 0.003 -13.262 -3.396 242 2HD1 LEU 29 1HD1 LEU 29 0.995 -14.676 -3.735 243 3HD1 LEU 29 2HD1 LEU 29 1.746 -13.084 -3.581 244 1HD2 LEU 29 3HD2 LEU 29 1.998 -14.946 -6.175 245 2HD2 LEU 29 2HD2 LEU 29 1.800 -13.604 -7.301 246 3HD2 LEU 29 1HD2 LEU 29 2.772 -13.397 -5.850 247 H ALA 30 H ALA 30 -3.662 -12.878 -7.004 248 HA ALA 30 HA ALA 30 -4.869 -15.371 -7.370 249 1HB ALA 30 1HB ALA 30 -5.937 -13.188 -6.456 250 2HB ALA 30 3HB ALA 30 -6.137 -12.672 -8.134 251 3HB ALA 30 2HB ALA 30 -6.969 -14.093 -7.552 252 HA PRO 31 HA PRO 31 -4.789 -16.033 -11.742 253 1HB PRO 31 2HB PRO 31 -7.090 -17.566 -12.096 254 2HB PRO 31 1HB PRO 31 -5.621 -18.137 -11.318 255 1HG PRO 31 2HG PRO 31 -8.072 -17.051 -9.960 256 2HG PRO 31 1HG PRO 31 -7.152 -18.511 -9.530 257 1HD PRO 31 1HD PRO 31 -6.827 -16.193 -8.188 258 2HD PRO 31 2HD PRO 31 -5.443 -17.260 -8.520 259 H MET 32 H MET 32 -6.838 -13.710 -10.400 260 HA MET 32 HA MET 32 -8.792 -13.263 -12.229 261 1HB MET 32 2HB MET 32 -7.117 -11.560 -10.336 262 2HB MET 32 1HB MET 32 -8.473 -10.940 -11.166 263 1HG MET 32 2HG MET 32 -9.864 -12.876 -10.092 264 2HG MET 32 1HG MET 32 -8.490 -13.087 -9.032 265 1HE MET 32 1HE MET 32 -7.322 -10.453 -8.314 266 2HE MET 32 3HE MET 32 -8.327 -9.785 -7.019 267 3HE MET 32 2HE MET 32 -7.897 -11.513 -7.029 268 H ASN 33 H ASN 33 -5.443 -12.182 -12.031 269 HA ASN 33 HA ASN 33 -5.320 -11.601 -14.878 270 1HB ASN 33 2HB ASN 33 -4.953 -9.400 -12.743 271 2HB ASN 33 1HB ASN 33 -4.279 -9.221 -14.342 272 1HD2 ASN 33 2HD2 ASN 33 -7.772 -7.761 -13.863 273 2HD2 ASN 33 1HD2 ASN 33 -6.467 -7.903 -12.733 274 H LYS 34 H LYS 34 -3.075 -10.450 -15.226 275 HA LYS 34 HA LYS 34 -0.985 -12.034 -13.847 276 1HB LYS 34 2HB LYS 34 0.092 -12.092 -16.224 277 2HB LYS 34 1HB LYS 34 -1.274 -13.109 -15.932 278 1HG LYS 34 2HG LYS 34 -1.398 -11.976 -18.118 279 2HG LYS 34 1HG LYS 34 -2.788 -11.668 -17.124 280 1HD LYS 34 2HD LYS 34 -2.031 -9.394 -16.629 281 2HD LYS 34 1HD LYS 34 -0.469 -9.687 -17.367 282 1HE LYS 34 1HE LYS 34 -1.652 -10.010 -19.587 283 2HE LYS 34 2HE LYS 34 -3.169 -9.590 -18.795 284 1HZ LYS 34 3HZ LYS 34 -0.780 -7.877 -18.965 285 2HZ LYS 34 2HZ LYS 34 -2.186 -7.741 -19.909 286 3HZ LYS 34 1HZ LYS 34 -2.243 -7.460 -18.237 287 H ALA 35 H ALA 35 1.236 -11.165 -14.387 288 HA ALA 35 HA ALA 35 2.086 -9.036 -13.449 289 1HB ALA 35 1HB ALA 35 3.549 -10.602 -14.722 290 2HB ALA 35 3HB ALA 35 2.988 -9.927 -16.246 291 3HB ALA 35 2HB ALA 35 3.951 -8.947 -15.138 292 H GLY 36 H GLY 36 1.797 -7.082 -13.348 293 1HA GLY 36 2HA GLY 36 1.733 -4.942 -14.080 294 2HA GLY 36 1HA GLY 36 1.162 -5.404 -15.679 295 H SER 37 H SER 37 -0.878 -7.145 -13.776 296 HA SER 37 HA SER 37 -2.853 -5.339 -13.163 297 1HB SER 37 1HB SER 37 -3.664 -7.129 -11.448 298 2HB SER 37 2HB SER 37 -3.895 -7.301 -13.088 299 HG SER 37 HG SER 37 -1.434 -8.793 -12.589 300 H PHE 38 H PHE 38 -3.301 -4.057 -11.265 301 HA PHE 38 HA PHE 38 -0.956 -4.056 -9.312 302 1HB PHE 38 2HB PHE 38 -2.574 -1.401 -9.496 303 2HB PHE 38 1HB PHE 38 -0.861 -1.710 -9.385 304 HD1 PHE 38 HD1 PHE 38 0.065 -2.857 -11.716 305 HD2 PHE 38 HD2 PHE 38 -3.233 -0.189 -11.198 306 HE1 PHE 38 HE1 PHE 38 0.231 -2.101 -13.994 307 HE2 PHE 38 HE2 PHE 38 -3.056 0.560 -13.496 308 HZ PHE 38 HZ PHE 38 -1.289 -0.388 -14.913 309 H LEU 39 H LEU 39 -1.247 -2.616 -7.729 310 HA LEU 39 HA LEU 39 -3.547 -1.990 -6.081 311 1HB LEU 39 2HB LEU 39 -1.181 -3.819 -5.489 312 2HB LEU 39 1HB LEU 39 -1.690 -2.785 -4.218 313 HG LEU 39 HG LEU 39 -2.517 -5.227 -4.357 314 1HD1 LEU 39 1HD1 LEU 39 -2.988 -3.355 -2.723 315 2HD1 LEU 39 3HD1 LEU 39 -4.228 -2.804 -3.771 316 3HD1 LEU 39 2HD1 LEU 39 -4.411 -4.393 -2.942 317 1HD2 LEU 39 2HD2 LEU 39 -4.771 -3.983 -6.006 318 2HD2 LEU 39 1HD2 LEU 39 -3.677 -5.317 -6.477 319 3HD2 LEU 39 3HD2 LEU 39 -4.770 -5.512 -5.125 320 H ILE 40 H ILE 40 -2.878 -0.198 -4.632 321 HA ILE 40 HA ILE 40 -0.038 0.506 -4.607 322 HB ILE 40 HB ILE 40 -1.413 1.581 -6.836 323 1HG1 ILE 40 1HG1 ILE 40 0.561 3.458 -5.441 324 2HG1 ILE 40 2HG1 ILE 40 1.087 1.883 -5.953 325 1HG2 ILE 40 2HG2 ILE 40 -2.876 2.872 -5.256 326 2HG2 ILE 40 3HG2 ILE 40 -1.416 3.824 -4.866 327 3HG2 ILE 40 1HG2 ILE 40 -1.994 3.790 -6.493 328 1HD1 ILE 40 2HD1 ILE 40 -0.309 3.692 -7.986 329 2HD1 ILE 40 1HD1 ILE 40 1.432 3.714 -7.736 330 3HD1 ILE 40 3HD1 ILE 40 0.602 2.298 -8.320 331 H ARG 41 H ARG 41 -1.015 -0.497 -2.691 332 HA ARG 41 HA ARG 41 -2.973 0.827 -1.113 333 1HB ARG 41 2HB ARG 41 -2.746 -1.010 0.327 334 2HB ARG 41 1HB ARG 41 -2.475 -1.616 -1.265 335 1HG ARG 41 2HG ARG 41 -0.664 -2.648 -0.349 336 2HG ARG 41 1HG ARG 41 0.134 -1.123 -0.557 337 1HD ARG 41 2HD ARG 41 -1.080 -0.672 1.896 338 2HD ARG 41 1HD ARG 41 -0.877 -2.433 1.940 339 HE ARG 41 HE ARG 41 1.542 -1.153 1.150 340 1HH1 ARG 41 1HH2 ARG 41 -0.587 -1.648 3.905 341 2HH1 ARG 41 2HH2 ARG 41 0.608 -1.250 5.092 342 1HH2 ARG 41 2HH1 ARG 41 3.105 -0.648 2.676 343 2HH2 ARG 41 1HH1 ARG 41 2.755 -0.668 4.377 344 H GLU 42 H GLU 42 -2.816 2.353 0.400 345 HA GLU 42 HA GLU 42 -0.517 3.894 0.712 346 1HB GLU 42 2HB GLU 42 -1.705 5.304 2.115 347 2HB GLU 42 1HB GLU 42 -2.999 4.482 1.271 348 1HG GLU 42 2HG GLU 42 -3.234 2.995 3.182 349 2HG GLU 42 1HG GLU 42 -2.080 3.886 4.146 350 H SER 43 H SER 43 0.877 4.407 2.536 351 HA SER 43 HA SER 43 1.457 1.898 4.016 352 1HB SER 43 2HB SER 43 3.578 3.074 3.220 353 2HB SER 43 1HB SER 43 2.942 4.519 3.555 354 HG SER 43 HG SER 43 3.339 3.193 6.196 355 H GLU 44 H GLU 44 1.166 1.804 6.217 356 HA GLU 44 HA GLU 44 -0.611 3.919 7.311 357 1HB GLU 44 2HB GLU 44 -1.271 2.107 8.892 358 2HB GLU 44 1HB GLU 44 -1.596 1.965 7.178 359 1HG GLU 44 2HG GLU 44 0.235 0.329 6.857 360 2HG GLU 44 1HG GLU 44 0.825 0.602 8.478 361 H SER 45 H SER 45 2.068 4.493 7.132 362 HA SER 45 HA SER 45 2.727 5.330 9.856 363 1HB SER 45 2HB SER 45 4.871 4.050 9.905 364 2HB SER 45 1HB SER 45 3.578 2.982 9.645 365 HG SER 45 HG SER 45 4.788 3.678 6.982 366 H ASN 46 H ASN 46 2.243 6.262 6.929 367 HA ASN 46 HA ASN 46 4.880 7.420 6.261 368 1HB ASN 46 2HB ASN 46 3.893 7.561 3.986 369 2HB ASN 46 1HB ASN 46 3.873 5.989 4.615 370 1HD2 ASN 46 2HD2 ASN 46 0.067 7.361 5.066 371 2HD2 ASN 46 1HD2 ASN 46 1.289 7.928 6.130 372 H LYS 47 H LYS 47 4.659 9.107 4.773 373 HA LYS 47 HA LYS 47 3.271 11.433 5.677 374 1HB LYS 47 2HB LYS 47 5.209 12.565 4.232 375 2HB LYS 47 1HB LYS 47 5.583 11.903 5.805 376 1HG LYS 47 2HG LYS 47 5.685 10.003 3.575 377 2HG LYS 47 1HG LYS 47 6.925 11.224 3.529 378 1HD LYS 47 2HD LYS 47 7.981 10.428 5.488 379 2HD LYS 47 1HD LYS 47 6.484 9.902 6.203 380 1HE LYS 47 1HE LYS 47 6.356 8.034 4.533 381 2HE LYS 47 2HE LYS 47 7.976 8.447 3.990 382 1HZ LYS 47 1HZ LYS 47 7.207 7.694 6.741 383 2HZ LYS 47 3HZ LYS 47 7.943 6.672 5.608 384 3HZ LYS 47 2HZ LYS 47 8.787 8.019 6.211 385 H GLY 48 H GLY 48 1.998 9.497 4.152 386 1HA GLY 48 2HA GLY 48 0.256 9.764 2.664 387 2HA GLY 48 1HA GLY 48 1.101 11.164 1.879 388 H ALA 49 H ALA 49 2.772 8.320 2.763 389 HA ALA 49 HA ALA 49 3.500 7.811 -0.016 390 1HB ALA 49 2HB ALA 49 5.086 7.491 2.025 391 2HB ALA 49 1HB ALA 49 4.301 5.900 2.252 392 3HB ALA 49 3HB ALA 49 5.190 6.298 0.768 393 H PHE 50 H PHE 50 3.701 5.409 -0.709 394 HA PHE 50 HA PHE 50 1.226 3.894 -0.203 395 1HB PHE 50 2HB PHE 50 1.869 5.364 -2.774 396 2HB PHE 50 1HB PHE 50 0.834 3.945 -2.836 397 HD1 PHE 50 HD1 PHE 50 -1.372 4.053 -1.580 398 HD2 PHE 50 HD2 PHE 50 1.178 7.447 -1.905 399 HE1 PHE 50 HE1 PHE 50 -3.264 5.509 -1.016 400 HE2 PHE 50 HE2 PHE 50 -0.695 8.909 -1.290 401 HZ PHE 50 HZ PHE 50 -2.924 7.964 -0.863 402 H SER 51 H SER 51 1.228 1.881 -1.839 403 HA SER 51 HA SER 51 3.967 0.856 -2.217 404 1HB SER 51 2HB SER 51 2.314 -1.273 -0.872 405 2HB SER 51 1HB SER 51 3.915 -0.889 -0.829 406 HG SER 51 HG SER 51 2.319 1.056 0.842 407 H LEU 52 H LEU 52 3.820 0.646 -4.321 408 HA LEU 52 HA LEU 52 1.506 -0.496 -5.636 409 1HB LEU 52 2HB LEU 52 2.903 1.293 -6.732 410 2HB LEU 52 1HB LEU 52 4.329 0.344 -6.544 411 HG LEU 52 HG LEU 52 3.573 -1.159 -8.333 412 1HD1 LEU 52 1HD1 LEU 52 1.040 0.383 -7.992 413 2HD1 LEU 52 2HD1 LEU 52 1.383 -0.266 -9.615 414 3HD1 LEU 52 3HD1 LEU 52 1.240 -1.346 -8.227 415 1HD2 LEU 52 2HD2 LEU 52 4.798 0.919 -8.961 416 2HD2 LEU 52 1HD2 LEU 52 3.636 0.471 -10.204 417 3HD2 LEU 52 3HD2 LEU 52 3.270 1.793 -9.100 418 H SER 53 H SER 53 1.050 -2.439 -5.526 419 HA SER 53 HA SER 53 3.146 -4.513 -5.653 420 1HB SER 53 1HB SER 53 0.280 -5.302 -5.091 421 2HB SER 53 2HB SER 53 1.687 -5.973 -4.531 422 HG SER 53 HG SER 53 1.320 -3.332 -3.158 423 H VAL 54 H VAL 54 3.415 -5.653 -7.317 424 HA VAL 54 HA VAL 54 1.369 -5.603 -9.513 425 HB VAL 54 HB VAL 54 4.380 -5.261 -9.993 426 1HG1 VAL 54 2HG1 VAL 54 1.995 -4.978 -11.870 427 2HG1 VAL 54 1HG1 VAL 54 3.669 -4.616 -12.304 428 3HG1 VAL 54 3HG1 VAL 54 3.205 -6.262 -11.913 429 1HG2 VAL 54 2HG2 VAL 54 2.248 -3.070 -10.010 430 2HG2 VAL 54 1HG2 VAL 54 3.598 -3.220 -8.879 431 3HG2 VAL 54 3HG2 VAL 54 3.914 -2.887 -10.567 432 H LYS 55 H LYS 55 1.393 -7.739 -10.774 433 HA LYS 55 HA LYS 55 2.605 -9.798 -9.091 434 1HB LYS 55 2HB LYS 55 0.461 -10.155 -10.251 435 2HB LYS 55 1HB LYS 55 1.329 -10.092 -11.777 436 1HG LYS 55 2HG LYS 55 2.741 -12.073 -10.836 437 2HG LYS 55 1HG LYS 55 1.476 -12.264 -9.655 438 1HD LYS 55 2HD LYS 55 0.870 -12.126 -12.634 439 2HD LYS 55 1HD LYS 55 1.447 -13.596 -11.913 440 1HE LYS 55 1HE LYS 55 -0.550 -13.338 -10.234 441 2HE LYS 55 2HE LYS 55 -1.185 -12.178 -11.398 442 1HZ LYS 55 2HZ LYS 55 -0.517 -15.000 -11.906 443 2HZ LYS 55 1HZ LYS 55 -2.062 -14.340 -11.675 444 3HZ LYS 55 3HZ LYS 55 -1.163 -13.917 -13.048 445 H ASP 56 H ASP 56 5.016 -10.041 -9.168 446 HA ASP 56 HA ASP 56 6.145 -9.797 -11.865 447 1HB ASP 56 2HB ASP 56 7.583 -8.931 -10.297 448 2HB ASP 56 1HB ASP 56 7.430 -10.240 -9.172 449 H ILE 57 H ILE 57 6.618 -11.277 -13.225 450 HA ILE 57 HA ILE 57 6.067 -14.113 -12.511 451 HB ILE 57 HB ILE 57 5.368 -12.655 -15.070 452 1HG1 ILE 57 1HG1 ILE 57 3.727 -13.887 -12.825 453 2HG1 ILE 57 2HG1 ILE 57 3.704 -12.228 -13.353 454 1HG2 ILE 57 3HG2 ILE 57 6.224 -14.953 -15.597 455 2HG2 ILE 57 2HG2 ILE 57 5.073 -15.638 -14.452 456 3HG2 ILE 57 1HG2 ILE 57 4.521 -14.839 -15.925 457 1HD1 ILE 57 1HD1 ILE 57 2.741 -13.065 -15.588 458 2HD1 ILE 57 3HD1 ILE 57 2.598 -14.655 -14.807 459 3HD1 ILE 57 2HD1 ILE 57 1.691 -13.292 -14.196 460 H THR 58 H THR 58 7.533 -15.486 -12.867 461 HA THR 58 HA THR 58 9.668 -15.105 -14.804 462 HB THR 58 HB THR 58 10.483 -13.875 -12.857 463 HG1 THR 58 HG1 THR 58 12.102 -16.373 -13.046 464 1HG2 THR 58 2HG2 THR 58 9.668 -16.205 -11.033 465 2HG2 THR 58 1HG2 THR 58 10.713 -14.868 -10.528 466 3HG2 THR 58 3HG2 THR 58 9.109 -14.562 -11.095 467 H THR 59 H THR 59 11.234 -17.068 -14.678 468 HA THR 59 HA THR 59 9.488 -19.376 -14.630 469 HB THR 59 HB THR 59 11.012 -19.365 -16.372 470 HG1 THR 59 HG1 THR 59 11.732 -21.690 -14.629 471 1HG2 THR 59 3HG2 THR 59 13.400 -18.993 -14.465 472 2HG2 THR 59 2HG2 THR 59 13.532 -19.463 -16.150 473 3HG2 THR 59 1HG2 THR 59 12.774 -17.977 -15.769 474 H GLN 60 H GLN 60 11.058 -17.804 -12.142 475 HA GLN 60 HA GLN 60 11.782 -20.242 -10.659 476 1HB GLN 60 2HB GLN 60 11.916 -17.303 -9.932 477 2HB GLN 60 1HB GLN 60 12.174 -18.536 -8.757 478 1HG GLN 60 2HG GLN 60 14.066 -19.489 -9.940 479 2HG GLN 60 1HG GLN 60 13.875 -18.446 -11.314 480 1HE2 GLN 60 2HE2 GLN 60 15.275 -15.564 -9.840 481 2HE2 GLN 60 1HE2 GLN 60 14.222 -16.152 -11.077 482 H GLY 61 H GLY 61 9.007 -18.288 -11.188 483 1HA GLY 61 2HA GLY 61 6.983 -19.553 -10.381 484 2HA GLY 61 1HA GLY 61 7.660 -19.287 -8.723 485 H GLU 62 H GLU 62 5.061 -18.425 -9.615 486 HA GLU 62 HA GLU 62 5.110 -15.713 -10.308 487 1HB GLU 62 2HB GLU 62 3.258 -17.620 -10.446 488 2HB GLU 62 1HB GLU 62 2.783 -17.056 -8.855 489 1HG GLU 62 2HG GLU 62 2.535 -14.728 -9.772 490 2HG GLU 62 1HG GLU 62 3.094 -15.319 -11.331 491 H VAL 63 H VAL 63 4.936 -13.895 -9.133 492 HA VAL 63 HA VAL 63 4.773 -13.919 -6.235 493 HB VAL 63 HB VAL 63 7.082 -14.476 -6.719 494 1HG1 VAL 63 3HG1 VAL 63 7.099 -12.178 -8.685 495 2HG1 VAL 63 2HG1 VAL 63 8.579 -12.913 -8.073 496 3HG1 VAL 63 1HG1 VAL 63 7.431 -13.869 -8.992 497 1HG2 VAL 63 2HG2 VAL 63 6.668 -12.751 -4.875 498 2HG2 VAL 63 1HG2 VAL 63 8.303 -12.826 -5.521 499 3HG2 VAL 63 3HG2 VAL 63 7.250 -11.522 -6.008 500 H VAL 64 H VAL 64 5.299 -11.410 -5.718 501 HA VAL 64 HA VAL 64 3.915 -9.662 -7.648 502 HB VAL 64 HB VAL 64 3.228 -10.177 -4.789 503 1HG1 VAL 64 1HG1 VAL 64 2.556 -7.604 -6.262 504 2HG1 VAL 64 3HG1 VAL 64 1.720 -8.188 -4.853 505 3HG1 VAL 64 2HG1 VAL 64 3.403 -7.706 -4.676 506 1HG2 VAL 64 2HG2 VAL 64 1.949 -11.149 -6.790 507 2HG2 VAL 64 1HG2 VAL 64 0.977 -10.147 -5.679 508 3HG2 VAL 64 3HG2 VAL 64 1.526 -9.481 -7.190 509 H LYS 65 H LYS 65 4.405 -7.285 -6.415 510 HA LYS 65 HA LYS 65 7.295 -7.032 -5.879 511 1HB LYS 65 2HB LYS 65 5.668 -5.591 -8.069 512 2HB LYS 65 1HB LYS 65 7.215 -5.016 -7.519 513 1HG LYS 65 2HG LYS 65 6.804 -7.773 -8.719 514 2HG LYS 65 1HG LYS 65 7.259 -6.406 -9.646 515 1HD LYS 65 2HD LYS 65 9.198 -6.157 -7.771 516 2HD LYS 65 1HD LYS 65 8.875 -7.835 -7.520 517 1HE LYS 65 1HE LYS 65 9.221 -7.331 -10.403 518 2HE LYS 65 2HE LYS 65 10.563 -6.662 -9.490 519 1HZ LYS 65 1HZ LYS 65 9.637 -9.444 -9.298 520 2HZ LYS 65 3HZ LYS 65 10.966 -8.880 -10.166 521 3HZ LYS 65 2HZ LYS 65 10.946 -8.754 -8.473 522 H HIS 66 H HIS 66 7.726 -4.531 -5.304 523 HA HIS 66 HA HIS 66 5.412 -3.231 -4.056 524 1HB HIS 66 2HB HIS 66 7.892 -4.245 -2.523 525 2HB HIS 66 1HB HIS 66 6.757 -3.082 -1.875 526 HD1 HIS 66 HD1 HIS 66 7.159 -6.714 -2.468 527 HD2 HIS 66 HD2 HIS 66 4.107 -4.039 -1.396 528 HE1 HIS 66 HE1 HIS 66 5.256 -8.094 -1.568 529 H TYR 67 H TYR 67 5.633 -1.084 -4.484 530 HA TYR 67 HA TYR 67 8.382 0.081 -4.481 531 1HB TYR 67 2HB TYR 67 6.292 1.002 -6.522 532 2HB TYR 67 1HB TYR 67 7.974 1.453 -6.387 533 HD1 TYR 67 HD1 TYR 67 9.753 -0.016 -6.938 534 HD2 TYR 67 HD2 TYR 67 5.703 -1.188 -7.455 535 HE1 TYR 67 HE1 TYR 67 10.527 -1.972 -8.123 536 HE2 TYR 67 HE2 TYR 67 6.344 -3.141 -8.677 537 HH TYR 67 HH TYR 67 9.034 -3.795 -10.147 538 H LYS 68 H LYS 68 8.620 1.603 -3.177 539 HA LYS 68 HA LYS 68 6.400 2.492 -1.542 540 1HB LYS 68 2HB LYS 68 8.176 3.521 -0.123 541 2HB LYS 68 1HB LYS 68 8.191 1.790 -0.262 542 1HG LYS 68 2HG LYS 68 9.803 3.370 -2.215 543 2HG LYS 68 1HG LYS 68 10.422 3.277 -0.591 544 1HD LYS 68 2HD LYS 68 9.628 0.678 -1.964 545 2HD LYS 68 1HD LYS 68 11.071 1.493 -2.491 546 1HE LYS 68 1HE LYS 68 11.792 -0.089 -0.870 547 2HE LYS 68 2HE LYS 68 11.885 1.458 -0.042 548 1HZ LYS 68 1HZ LYS 68 9.681 -0.488 0.158 549 2HZ LYS 68 3HZ LYS 68 10.929 -0.266 1.292 550 3HZ LYS 68 2HZ LYS 68 9.800 0.973 1.008 551 H ILE 69 H ILE 69 5.470 3.571 -3.343 552 HA ILE 69 HA ILE 69 6.477 6.009 -4.378 553 HB ILE 69 HB ILE 69 3.848 6.553 -4.493 554 1HG1 ILE 69 1HG1 ILE 69 3.451 4.181 -3.464 555 2HG1 ILE 69 2HG1 ILE 69 2.399 4.910 -4.647 556 1HG2 ILE 69 1HG2 ILE 69 5.165 6.914 -6.295 557 2HG2 ILE 69 3HG2 ILE 69 5.338 5.167 -6.635 558 3HG2 ILE 69 2HG2 ILE 69 3.755 5.960 -6.716 559 1HD1 ILE 69 3HD1 ILE 69 4.509 2.905 -5.489 560 2HD1 ILE 69 2HD1 ILE 69 2.830 2.542 -5.066 561 3HD1 ILE 69 1HD1 ILE 69 3.170 3.548 -6.444 562 H ARG 70 H ARG 70 7.109 7.661 -3.514 563 HA ARG 70 HA ARG 70 6.186 8.531 -0.883 564 1HB ARG 70 2HB ARG 70 8.122 9.727 -2.927 565 2HB ARG 70 1HB ARG 70 7.746 10.450 -1.383 566 1HG ARG 70 2HG ARG 70 8.319 7.850 -0.605 567 2HG ARG 70 1HG ARG 70 9.431 8.078 -1.952 568 1HD ARG 70 2HD ARG 70 9.968 10.411 -0.802 569 2HD ARG 70 1HD ARG 70 9.197 9.693 0.607 570 HE ARG 70 HE ARG 70 11.830 9.154 -0.444 571 1HH1 ARG 70 1HH2 ARG 70 9.133 7.711 1.283 572 2HH1 ARG 70 2HH2 ARG 70 10.109 6.517 2.083 573 1HH2 ARG 70 2HH1 ARG 70 13.087 7.579 0.574 574 2HH2 ARG 70 1HH1 ARG 70 12.381 6.452 1.679 575 H SER 71 H SER 71 5.704 10.902 -0.720 576 HA SER 71 HA SER 71 3.981 11.827 -2.928 577 1HB SER 71 2HB SER 71 2.494 12.640 -0.902 578 2HB SER 71 1HB SER 71 2.386 11.021 -1.389 579 HG SER 71 HG SER 71 4.365 11.034 0.815 580 H LEU 72 H LEU 72 4.924 13.613 -3.624 581 HA LEU 72 HA LEU 72 6.395 15.310 -1.736 582 1HB LEU 72 2HB LEU 72 6.518 15.479 -4.764 583 2HB LEU 72 1HB LEU 72 7.718 15.944 -3.601 584 HG LEU 72 HG LEU 72 8.552 14.108 -4.525 585 1HD1 LEU 72 3HD1 LEU 72 8.260 14.175 -1.897 586 2HD1 LEU 72 2HD1 LEU 72 7.433 12.643 -2.153 587 3HD1 LEU 72 1HD1 LEU 72 9.092 12.843 -2.667 588 1HD2 LEU 72 2HD2 LEU 72 6.061 13.431 -5.380 589 2HD2 LEU 72 1HD2 LEU 72 7.419 12.384 -5.555 590 3HD2 LEU 72 3HD2 LEU 72 6.324 12.146 -4.195 591 H ASP 73 H ASP 73 5.935 17.230 -1.441 592 HA ASP 73 HA ASP 73 3.299 18.264 -1.948 593 1HB ASP 73 2HB ASP 73 4.242 20.442 -0.991 594 2HB ASP 73 1HB ASP 73 4.474 19.047 0.049 595 H ASN 74 H ASN 74 6.360 18.597 -3.519 596 HA ASN 74 HA ASN 74 5.213 20.480 -5.508 597 1HB ASN 74 2HB ASN 74 7.612 21.224 -5.820 598 2HB ASN 74 1HB ASN 74 7.000 21.482 -4.198 599 1HD2 ASN 74 2HD2 ASN 74 10.257 20.285 -3.468 600 2HD2 ASN 74 1HD2 ASN 74 9.369 21.700 -3.903 601 H GLY 75 H GLY 75 5.730 17.329 -5.219 602 1HA GLY 75 2HA GLY 75 6.261 17.061 -8.136 603 2HA GLY 75 1HA GLY 75 7.393 16.239 -7.012 604 H GLY 76 H GLY 76 4.144 16.347 -6.059 605 1HA GLY 76 2HA GLY 76 2.383 14.884 -6.041 606 2HA GLY 76 1HA GLY 76 3.002 14.292 -7.602 607 H TYR 77 H TYR 77 4.549 12.600 -7.687 608 HA TYR 77 HA TYR 77 4.904 10.926 -5.334 609 1HB TYR 77 2HB TYR 77 3.485 9.747 -7.849 610 2HB TYR 77 1HB TYR 77 4.039 8.865 -6.466 611 HD1 TYR 77 HD2 TYR 77 1.643 11.411 -7.551 612 HD2 TYR 77 HD1 TYR 77 2.751 8.643 -4.547 613 HE1 TYR 77 HE2 TYR 77 -0.599 11.608 -6.668 614 HE2 TYR 77 HE1 TYR 77 0.596 8.836 -3.509 615 HH TYR 77 HH TYR 77 -1.590 11.029 -3.747 616 H TYR 78 H TYR 78 6.605 9.779 -5.437 617 HA TYR 78 HA TYR 78 7.783 9.193 -8.072 618 1HB TYR 78 2HB TYR 78 9.694 10.388 -8.023 619 2HB TYR 78 1HB TYR 78 8.708 11.495 -7.114 620 HD1 TYR 78 HD2 TYR 78 11.451 9.114 -7.063 621 HD2 TYR 78 HD1 TYR 78 9.161 11.794 -4.634 622 HE1 TYR 78 HE2 TYR 78 13.012 8.769 -5.376 623 HE2 TYR 78 HE1 TYR 78 10.756 11.578 -2.873 624 HH TYR 78 HH TYR 78 12.690 9.171 -2.309 625 H ILE 79 H ILE 79 9.393 7.819 -8.146 626 HA ILE 79 HA ILE 79 9.845 6.016 -5.871 627 HB ILE 79 HB ILE 79 9.539 4.113 -7.749 628 1HG1 ILE 79 1HG1 ILE 79 7.358 6.152 -8.262 629 2HG1 ILE 79 2HG1 ILE 79 8.585 5.745 -9.401 630 1HG2 ILE 79 1HG2 ILE 79 8.773 3.897 -5.478 631 2HG2 ILE 79 3HG2 ILE 79 7.430 4.996 -5.817 632 3HG2 ILE 79 2HG2 ILE 79 7.521 3.433 -6.604 633 1HD1 ILE 79 3HD1 ILE 79 7.525 3.298 -9.208 634 2HD1 ILE 79 2HD1 ILE 79 6.278 4.067 -8.277 635 3HD1 ILE 79 1HD1 ILE 79 6.514 4.616 -9.906 636 H SER 80 H SER 80 10.733 6.600 -9.239 637 HA SER 80 HA SER 80 13.551 6.126 -8.401 638 1HB SER 80 2HB SER 80 13.016 6.910 -11.265 639 2HB SER 80 1HB SER 80 14.098 5.807 -10.645 640 HG SER 80 HG SER 80 11.355 4.595 -10.537 641 HA PRO 81 HA PRO 81 13.258 10.544 -7.772 642 1HB PRO 81 2HB PRO 81 16.208 10.727 -7.784 643 2HB PRO 81 1HB PRO 81 15.032 11.037 -6.471 644 1HG PRO 81 2HG PRO 81 16.716 8.842 -6.490 645 2HG PRO 81 1HG PRO 81 15.133 8.849 -5.716 646 1HD PRO 81 1HD PRO 81 15.873 7.684 -8.363 647 2HD PRO 81 2HD PRO 81 14.749 7.090 -7.104 648 H ARG 82 H ARG 82 14.853 9.117 -10.417 649 HA ARG 82 HA ARG 82 15.315 11.594 -11.869 650 1HB ARG 82 2HB ARG 82 16.264 10.281 -13.555 651 2HB ARG 82 1HB ARG 82 16.726 9.561 -12.053 652 1HG ARG 82 2HG ARG 82 16.038 7.584 -12.924 653 2HG ARG 82 1HG ARG 82 14.398 8.116 -12.661 654 1HD ARG 82 2HD ARG 82 14.461 9.228 -14.951 655 2HD ARG 82 1HD ARG 82 16.024 8.516 -15.236 656 HE ARG 82 HE ARG 82 13.438 7.148 -15.271 657 1HH1 ARG 82 1HH2 ARG 82 16.936 6.762 -14.962 658 2HH1 ARG 82 2HH2 ARG 82 16.914 5.098 -15.436 659 1HH2 ARG 82 2HH1 ARG 82 13.461 4.970 -15.900 660 2HH2 ARG 82 1HH1 ARG 82 14.949 4.085 -15.966 661 H ILE 83 H ILE 83 12.688 9.405 -11.400 662 HA ILE 83 HA ILE 83 10.983 11.010 -13.170 663 HB ILE 83 HB ILE 83 9.670 9.042 -13.697 664 1HG1 ILE 83 1HG1 ILE 83 12.255 7.514 -13.250 665 2HG1 ILE 83 2HG1 ILE 83 10.995 7.571 -12.021 666 1HG2 ILE 83 2HG2 ILE 83 10.975 10.323 -15.324 667 2HG2 ILE 83 1HG2 ILE 83 12.416 9.416 -14.921 668 3HG2 ILE 83 3HG2 ILE 83 11.077 8.624 -15.728 669 1HD1 ILE 83 3HD1 ILE 83 10.279 6.906 -14.871 670 2HD1 ILE 83 2HD1 ILE 83 10.865 5.659 -13.787 671 3HD1 ILE 83 1HD1 ILE 83 9.383 6.629 -13.404 672 H THR 84 H THR 84 9.902 12.041 -12.144 673 HA THR 84 HA THR 84 8.334 11.242 -9.758 674 HB THR 84 HB THR 84 8.831 14.117 -10.591 675 HG1 THR 84 HG1 THR 84 11.303 12.623 -9.863 676 1HG2 THR 84 1HG2 THR 84 7.648 13.136 -8.449 677 2HG2 THR 84 3HG2 THR 84 9.190 13.428 -7.684 678 3HG2 THR 84 2HG2 THR 84 8.401 14.721 -8.521 679 H PHE 85 H PHE 85 6.260 12.415 -9.718 680 HA PHE 85 HA PHE 85 5.166 13.111 -12.390 681 1HB PHE 85 2HB PHE 85 4.104 10.688 -10.794 682 2HB PHE 85 1HB PHE 85 3.373 11.301 -12.248 683 HD1 PHE 85 HD2 PHE 85 6.249 9.467 -10.856 684 HD2 PHE 85 HD1 PHE 85 4.396 10.889 -14.441 685 HE1 PHE 85 HE2 PHE 85 7.707 7.999 -12.183 686 HE2 PHE 85 HE1 PHE 85 5.860 9.415 -15.769 687 HZ PHE 85 HZ PHE 85 7.525 7.974 -14.638 688 HA PRO 86 HA PRO 86 2.772 15.761 -9.704 689 1HB PRO 86 2HB PRO 86 0.527 16.271 -11.307 690 2HB PRO 86 1HB PRO 86 2.118 16.995 -11.550 691 1HG PRO 86 2HG PRO 86 0.924 14.647 -12.991 692 2HG PRO 86 1HG PRO 86 1.855 15.981 -13.684 693 1HD PRO 86 1HD PRO 86 2.993 13.540 -13.184 694 2HD PRO 86 2HD PRO 86 3.924 15.041 -13.004 695 H THR 87 H THR 87 1.457 12.801 -10.936 696 HA THR 87 HA THR 87 0.010 12.388 -8.470 697 HB THR 87 HB THR 87 -1.792 13.338 -9.639 698 HG1 THR 87 HG1 THR 87 -2.314 10.414 -9.594 699 1HG2 THR 87 3HG2 THR 87 -1.030 11.828 -12.148 700 2HG2 THR 87 2HG2 THR 87 -2.542 12.743 -11.915 701 3HG2 THR 87 1HG2 THR 87 -0.992 13.533 -11.771 702 H LEU 88 H LEU 88 -0.851 10.064 -8.472 703 HA LEU 88 HA LEU 88 1.217 8.369 -9.456 704 1HB LEU 88 2HB LEU 88 -1.581 7.526 -8.540 705 2HB LEU 88 1HB LEU 88 -0.362 6.419 -9.035 706 HG LEU 88 HG LEU 88 -0.155 8.309 -6.697 707 1HD1 LEU 88 1HD1 LEU 88 -1.898 6.477 -6.548 708 2HD1 LEU 88 3HD1 LEU 88 -0.591 5.342 -6.873 709 3HD1 LEU 88 2HD1 LEU 88 -0.577 6.256 -5.368 710 1HD2 LEU 88 2HD2 LEU 88 1.552 5.935 -7.582 711 2HD2 LEU 88 1HD2 LEU 88 2.112 7.618 -7.472 712 3HD2 LEU 88 3HD2 LEU 88 1.689 6.699 -6.015 713 H GLN 89 H GLN 89 -1.855 9.549 -11.023 714 HA GLN 89 HA GLN 89 -1.889 7.098 -12.656 715 1HB GLN 89 2HB GLN 89 -3.433 7.852 -14.208 716 2HB GLN 89 1HB GLN 89 -3.932 7.804 -12.559 717 1HG GLN 89 2HG GLN 89 -4.919 9.665 -13.648 718 2HG GLN 89 1HG GLN 89 -3.862 10.120 -12.351 719 1HE2 GLN 89 2HE2 GLN 89 -2.136 10.670 -16.084 720 2HE2 GLN 89 1HE2 GLN 89 -2.590 9.118 -15.493 721 H ALA 90 H ALA 90 -0.409 10.192 -13.098 722 HA ALA 90 HA ALA 90 0.430 9.655 -15.787 723 1HB ALA 90 3HB ALA 90 1.750 11.492 -13.683 724 2HB ALA 90 2HB ALA 90 2.145 11.535 -15.402 725 3HB ALA 90 1HB ALA 90 0.535 11.976 -14.851 726 H LEU 91 H LEU 91 1.454 8.425 -12.827 727 HA LEU 91 HA LEU 91 4.054 7.441 -13.672 728 1HB LEU 91 2HB LEU 91 4.114 8.039 -11.469 729 2HB LEU 91 1HB LEU 91 2.484 7.810 -11.147 730 HG LEU 91 HG LEU 91 4.443 5.484 -11.356 731 1HD1 LEU 91 2HD1 LEU 91 3.553 7.058 -8.901 732 2HD1 LEU 91 1HD1 LEU 91 4.518 5.597 -8.866 733 3HD1 LEU 91 3HD1 LEU 91 5.189 7.070 -9.576 734 1HD2 LEU 91 1HD2 LEU 91 1.601 5.806 -10.218 735 2HD2 LEU 91 3HD2 LEU 91 2.172 4.640 -11.420 736 3HD2 LEU 91 2HD2 LEU 91 2.671 4.453 -9.770 737 H VAL 92 H VAL 92 0.692 6.290 -13.076 738 HA VAL 92 HA VAL 92 1.348 3.598 -13.695 739 HB VAL 92 HB VAL 92 -1.495 4.652 -13.659 740 1HG1 VAL 92 3HG1 VAL 92 -0.870 2.144 -13.830 741 2HG1 VAL 92 2HG1 VAL 92 -0.366 2.331 -12.122 742 3HG1 VAL 92 1HG1 VAL 92 -2.027 2.660 -12.573 743 1HG2 VAL 92 1HG2 VAL 92 0.161 4.477 -11.101 744 2HG2 VAL 92 3HG2 VAL 92 -1.046 5.692 -11.569 745 3HG2 VAL 92 2HG2 VAL 92 -1.518 4.147 -11.108 746 H GLN 93 H GLN 93 1.071 6.269 -15.615 747 HA GLN 93 HA GLN 93 -0.470 5.071 -17.828 748 1HB GLN 93 2HB GLN 93 -0.859 7.132 -18.715 749 2HB GLN 93 1HB GLN 93 -0.763 7.555 -17.036 750 1HG GLN 93 2HG GLN 93 1.631 8.302 -17.421 751 2HG GLN 93 1HG GLN 93 1.406 8.002 -19.135 752 1HE2 GLN 93 2HE2 GLN 93 0.975 11.541 -18.606 753 2HE2 GLN 93 1HE2 GLN 93 2.216 10.344 -18.492 754 H HIS 94 H HIS 94 2.579 6.701 -17.154 755 HA HIS 94 HA HIS 94 3.936 6.167 -19.561 756 1HB HIS 94 2HB HIS 94 4.619 7.941 -17.938 757 2HB HIS 94 1HB HIS 94 4.920 6.749 -16.695 758 HD1 HIS 94 HD1 HIS 94 7.443 7.130 -16.459 759 HD2 HIS 94 HD2 HIS 94 6.274 6.365 -20.417 760 HE1 HIS 94 HE1 HIS 94 9.558 6.832 -17.824 761 H TYR 95 H TYR 95 3.651 4.534 -16.469 762 HA TYR 95 HA TYR 95 5.568 2.471 -17.030 763 1HB TYR 95 2HB TYR 95 3.373 2.825 -14.979 764 2HB TYR 95 1HB TYR 95 4.358 1.390 -15.051 765 HD1 TYR 95 HD1 TYR 95 6.565 4.065 -16.011 766 HD2 TYR 95 HD2 TYR 95 4.502 2.367 -12.668 767 HE1 TYR 95 HE1 TYR 95 8.245 4.911 -14.610 768 HE2 TYR 95 HE2 TYR 95 6.135 3.134 -11.206 769 HH TYR 95 HH TYR 95 9.171 3.751 -11.882 770 H SER 96 H SER 96 2.107 2.777 -17.676 771 HA SER 96 HA SER 96 1.748 -0.031 -18.124 772 1HB SER 96 2HB SER 96 0.440 2.176 -19.872 773 2HB SER 96 1HB SER 96 -0.132 0.596 -19.696 774 HG SER 96 HG SER 96 -0.390 1.963 -17.055 775 H LYS 97 H LYS 97 3.203 2.375 -20.157 776 HA LYS 97 HA LYS 97 3.567 0.306 -22.260 777 1HB LYS 97 2HB LYS 97 4.105 3.337 -22.120 778 2HB LYS 97 1HB LYS 97 4.634 2.394 -23.479 779 1HG LYS 97 2HG LYS 97 2.549 3.521 -23.985 780 2HG LYS 97 1HG LYS 97 2.327 1.799 -24.073 781 1HD LYS 97 2HD LYS 97 1.099 1.740 -22.003 782 2HD LYS 97 1HD LYS 97 1.577 3.368 -21.560 783 1HE LYS 97 1HE LYS 97 -0.173 2.724 -23.985 784 2HE LYS 97 2HE LYS 97 -0.812 3.121 -22.390 785 1HZ LYS 97 3HZ LYS 97 0.963 4.842 -23.969 786 2HZ LYS 97 2HZ LYS 97 -0.725 5.002 -23.847 787 3HZ LYS 97 1HZ LYS 97 0.252 5.222 -22.476 788 H LYS 98 H LYS 98 5.548 2.134 -19.931 789 HA LYS 98 HA LYS 98 7.696 0.166 -20.356 790 1HB LYS 98 2HB LYS 98 7.740 2.430 -21.833 791 2HB LYS 98 1HB LYS 98 8.333 3.165 -20.376 792 1HG LYS 98 2HG LYS 98 9.455 0.745 -21.764 793 2HG LYS 98 1HG LYS 98 10.109 2.375 -21.878 794 1HD LYS 98 2HD LYS 98 10.659 2.248 -19.420 795 2HD LYS 98 1HD LYS 98 10.010 0.606 -19.416 796 1HE LYS 98 1HE LYS 98 12.397 0.433 -19.565 797 2HE LYS 98 2HE LYS 98 11.699 -0.073 -21.099 798 1HZ LYS 98 1HZ LYS 98 12.729 2.637 -20.562 799 2HZ LYS 98 3HZ LYS 98 13.670 1.389 -21.225 800 3HZ LYS 98 2HZ LYS 98 12.319 1.975 -22.071 801 H GLY 99 H GLY 99 7.758 -0.574 -18.351 802 1HA GLY 99 2HA GLY 99 6.959 0.526 -15.964 803 2HA GLY 99 1HA GLY 99 8.264 -0.702 -16.128 804 H ASP 100 H ASP 100 9.826 1.150 -17.668 805 HA ASP 100 HA ASP 100 11.760 2.236 -17.396 806 1HB ASP 100 2HB ASP 100 9.866 3.879 -17.996 807 2HB ASP 100 1HB ASP 100 9.919 4.457 -16.342 808 H GLY 101 H GLY 101 11.507 0.664 -15.289 809 1HA GLY 101 2HA GLY 101 13.520 1.067 -13.580 810 2HA GLY 101 1HA GLY 101 12.358 2.263 -12.882 811 H LEU 102 H LEU 102 10.113 0.467 -13.647 812 HA LEU 102 HA LEU 102 9.913 -0.829 -11.129 813 1HB LEU 102 2HB LEU 102 8.255 -0.965 -13.712 814 2HB LEU 102 1HB LEU 102 7.803 -1.931 -12.379 815 HG LEU 102 HG LEU 102 7.666 1.011 -12.684 816 1HD1 LEU 102 2HD1 LEU 102 5.793 -1.117 -11.588 817 2HD1 LEU 102 1HD1 LEU 102 5.409 0.593 -11.642 818 3HD1 LEU 102 3HD1 LEU 102 5.672 -0.298 -13.147 819 1HD2 LEU 102 2HD2 LEU 102 7.719 -0.365 -9.966 820 2HD2 LEU 102 1HD2 LEU 102 8.881 0.838 -10.462 821 3HD2 LEU 102 3HD2 LEU 102 7.211 1.298 -10.201 822 H CYS 103 H CYS 103 10.603 -1.964 -14.352 823 HA CYS 103 HA CYS 103 11.876 -3.711 -15.032 824 1HB CYS 103 2HB CYS 103 12.801 -5.393 -13.734 825 2HB CYS 103 1HB CYS 103 12.641 -4.131 -12.548 826 HG CYS 103 HG CYS 103 10.464 -5.297 -11.202 827 H GLN 104 H GLN 104 8.875 -3.980 -13.423 828 HA GLN 104 HA GLN 104 7.713 -5.795 -15.387 829 1HB GLN 104 2HB GLN 104 7.456 -5.746 -12.306 830 2HB GLN 104 1HB GLN 104 6.127 -6.318 -13.253 831 1HG GLN 104 2HG GLN 104 8.930 -7.533 -13.421 832 2HG GLN 104 1HG GLN 104 7.645 -8.133 -12.390 833 1HE2 GLN 104 2HE2 GLN 104 7.641 -10.175 -15.446 834 2HE2 GLN 104 1HE2 GLN 104 8.717 -9.810 -14.143 835 H LYS 105 H LYS 105 7.034 -4.354 -16.468 836 HA LYS 105 HA LYS 105 6.111 -1.825 -15.848 837 1HB LYS 105 2HB LYS 105 5.751 -1.610 -18.128 838 2HB LYS 105 1HB LYS 105 6.833 -2.979 -18.029 839 1HG LYS 105 2HG LYS 105 4.620 -4.434 -18.142 840 2HG LYS 105 1HG LYS 105 3.869 -2.952 -18.730 841 1HD LYS 105 2HD LYS 105 6.368 -4.113 -20.019 842 2HD LYS 105 1HD LYS 105 4.741 -4.543 -20.510 843 1HE LYS 105 1HE LYS 105 4.183 -2.182 -20.924 844 2HE LYS 105 2HE LYS 105 5.825 -1.690 -20.436 845 1HZ LYS 105 2HZ LYS 105 6.677 -3.027 -22.259 846 2HZ LYS 105 1HZ LYS 105 5.092 -3.363 -22.762 847 3HZ LYS 105 3HZ LYS 105 5.667 -1.758 -22.755 848 H LEU 106 H LEU 106 3.643 -1.593 -17.177 849 HA LEU 106 HA LEU 106 1.820 -2.904 -15.184 850 1HB LEU 106 2HB LEU 106 2.172 0.009 -16.005 851 2HB LEU 106 1HB LEU 106 0.776 -0.459 -15.184 852 HG LEU 106 HG LEU 106 3.606 -0.323 -14.251 853 1HD1 LEU 106 3HD1 LEU 106 1.958 1.593 -14.080 854 2HD1 LEU 106 2HD1 LEU 106 1.059 0.673 -12.907 855 3HD1 LEU 106 1HD1 LEU 106 2.700 1.162 -12.525 856 1HD2 LEU 106 3HD2 LEU 106 2.303 -2.583 -13.244 857 2HD2 LEU 106 2HD2 LEU 106 3.544 -1.670 -12.433 858 3HD2 LEU 106 1HD2 LEU 106 1.883 -1.360 -12.050 859 H THR 107 H THR 107 -0.333 -2.984 -15.517 860 HA THR 107 HA THR 107 -1.331 -2.729 -18.215 861 HB THR 107 HB THR 107 -1.899 -4.786 -18.801 862 HG1 THR 107 HG1 THR 107 -1.798 -6.047 -16.139 863 1HG2 THR 107 1HG2 THR 107 0.414 -4.455 -19.186 864 2HG2 THR 107 3HG2 THR 107 0.928 -5.077 -17.655 865 3HG2 THR 107 2HG2 THR 107 0.208 -6.155 -18.836 866 H LEU 108 H LEU 108 -2.608 -4.797 -15.600 867 HA LEU 108 HA LEU 108 -5.113 -3.140 -15.786 868 1HB LEU 108 2HB LEU 108 -4.677 -5.946 -14.662 869 2HB LEU 108 1HB LEU 108 -6.202 -5.185 -14.751 870 HG LEU 108 HG LEU 108 -4.739 -5.206 -17.363 871 1HD1 LEU 108 1HD1 LEU 108 -4.635 -7.661 -16.027 872 2HD1 LEU 108 3HD1 LEU 108 -6.085 -7.784 -16.990 873 3HD1 LEU 108 2HD1 LEU 108 -4.556 -7.400 -17.764 874 1HD2 LEU 108 3HD2 LEU 108 -7.022 -4.291 -17.132 875 2HD2 LEU 108 2HD2 LEU 108 -6.982 -5.665 -18.234 876 3HD2 LEU 108 1HD2 LEU 108 -7.609 -5.867 -16.597 877 HA PRO 109 HA PRO 109 -4.593 -2.302 -11.324 878 1HB PRO 109 2HB PRO 109 -6.863 -1.106 -10.727 879 2HB PRO 109 1HB PRO 109 -5.903 -0.531 -12.085 880 1HG PRO 109 2HG PRO 109 -8.430 -2.110 -12.273 881 2HG PRO 109 1HG PRO 109 -7.867 -0.831 -13.333 882 1HD PRO 109 1HD PRO 109 -7.475 -3.657 -13.784 883 2HD PRO 109 2HD PRO 109 -6.762 -2.321 -14.711 884 H CYS 110 H CYS 110 -5.806 -5.003 -12.210 885 HA CYS 110 HA CYS 110 -6.135 -6.918 -11.145 886 1HB CYS 110 2HB CYS 110 -5.225 -5.880 -9.041 887 2HB CYS 110 1HB CYS 110 -6.840 -5.471 -8.539 888 HG CYS 110 HG CYS 110 -5.570 -7.920 -7.383 889 H VAL 111 H VAL 111 -7.939 -5.835 -12.769 890 HA VAL 111 HA VAL 111 -10.020 -5.846 -13.503 891 HB VAL 111 HB VAL 111 -9.527 -8.209 -13.393 892 1HG1 VAL 111 1HG1 VAL 111 -10.999 -8.397 -10.744 893 2HG1 VAL 111 3HG1 VAL 111 -10.623 -9.752 -11.794 894 3HG1 VAL 111 2HG1 VAL 111 -9.325 -8.828 -11.092 895 1HG2 VAL 111 3HG2 VAL 111 -11.607 -7.382 -14.477 896 2HG2 VAL 111 2HG2 VAL 111 -11.700 -9.047 -13.931 897 3HG2 VAL 111 1HG2 VAL 111 -12.528 -7.794 -13.035 898 H ASN 112 H ASN 112 -12.240 -7.017 -11.470 899 HA ASN 112 HA ASN 112 -12.440 -5.087 -9.444 900 1HB ASN 112 2HB ASN 112 -12.923 -3.646 -11.626 901 2HB ASN 112 1HB ASN 112 -14.436 -4.515 -11.734 902 1HD2 ASN 112 2HD2 ASN 112 -15.382 -1.473 -10.105 903 2HD2 ASN 112 1HD2 ASN 112 -15.026 -2.151 -11.650 904 H LEU 113 H LEU 113 -14.317 -5.246 -8.213 905 HA LEU 113 HA LEU 113 -15.585 -7.898 -8.384 906 1HB LEU 113 2HB LEU 113 -15.694 -5.790 -6.148 907 2HB LEU 113 1HB LEU 113 -16.311 -7.409 -6.059 908 HG LEU 113 HG LEU 113 -14.342 -7.514 -4.888 909 1HD1 LEU 113 1HD1 LEU 113 -14.456 -9.381 -6.522 910 2HD1 LEU 113 3HD1 LEU 113 -13.415 -8.482 -7.626 911 3HD1 LEU 113 2HD1 LEU 113 -12.802 -8.997 -6.062 912 1HD2 LEU 113 3HD2 LEU 113 -13.407 -5.287 -5.567 913 2HD2 LEU 113 2HD2 LEU 113 -12.184 -6.545 -5.450 914 3HD2 LEU 113 1HD2 LEU 113 -12.749 -6.025 -7.024 915 H ALA 114 HN ALA 114 -16.267 -4.498 -8.648 916 HA ALA 114 HA ALA 114 -18.985 -5.095 -9.590 917 1HB ALA 114 2HB ALA 114 -19.215 -4.426 -7.183 918 2HB ALA 114 1HB ALA 114 -18.309 -2.947 -7.486 919 3HB ALA 114 3HB ALA 114 -19.898 -3.176 -8.217 No H/Q in entry = 919 Start of MODEL 15 1 1H GLY 1 2H GLY 1 -31.384 1.066 -6.043 2 2H GLY 1 1H GLY 1 -31.969 1.081 -4.447 3 3H GLY 1 3H GLY 1 -32.908 0.412 -5.695 4 1HA GLY 1 2HA GLY 1 -33.740 2.539 -5.067 5 2HA GLY 1 1HA GLY 1 -32.119 3.237 -5.428 6 H SER 2 H SER 2 -33.866 4.506 -6.596 7 HA SER 2 HA SER 2 -34.786 3.500 -9.144 8 1HB SER 2 2HB SER 2 -35.413 5.981 -9.439 9 2HB SER 2 1HB SER 2 -36.183 5.138 -8.199 10 HG SER 2 HG SER 2 -33.915 6.526 -6.908 11 H VAL 3 H VAL 3 -32.935 6.513 -8.658 12 HA VAL 3 HA VAL 3 -31.592 6.131 -11.152 13 HB VAL 3 HB VAL 3 -30.542 8.216 -10.827 14 1HG1 VAL 3 3HG1 VAL 3 -32.978 8.278 -11.296 15 2HG1 VAL 3 2HG1 VAL 3 -33.310 8.468 -9.580 16 3HG1 VAL 3 1HG1 VAL 3 -32.419 9.710 -10.440 17 1HG2 VAL 3 3HG2 VAL 3 -31.258 8.145 -7.847 18 2HG2 VAL 3 2HG2 VAL 3 -29.647 8.077 -8.537 19 3HG2 VAL 3 1HG2 VAL 3 -30.612 9.531 -8.699 20 H ALA 4 H ALA 4 -29.647 5.473 -11.662 21 HA ALA 4 HA ALA 4 -27.586 4.937 -9.639 22 1HB ALA 4 3HB ALA 4 -28.885 2.654 -11.228 23 2HB ALA 4 2HB ALA 4 -27.443 2.493 -10.224 24 3HB ALA 4 1HB ALA 4 -28.991 2.896 -9.490 25 HA PRO 5 HA PRO 5 -26.050 6.153 -13.838 26 1HB PRO 5 2HB PRO 5 -24.224 8.062 -13.031 27 2HB PRO 5 1HB PRO 5 -25.950 8.371 -13.145 28 1HG PRO 5 2HG PRO 5 -24.391 7.719 -10.663 29 2HG PRO 5 1HG PRO 5 -25.623 8.970 -10.861 30 1HD PRO 5 1HD PRO 5 -26.153 6.519 -9.732 31 2HD PRO 5 2HD PRO 5 -27.392 7.418 -10.637 32 H VAL 6 H VAL 6 -24.535 4.892 -11.001 33 HA VAL 6 HA VAL 6 -22.651 3.752 -10.563 34 HB VAL 6 HB VAL 6 -23.123 2.758 -13.403 35 1HG1 VAL 6 1HG1 VAL 6 -21.217 1.788 -11.288 36 2HG1 VAL 6 3HG1 VAL 6 -22.115 0.568 -12.180 37 3HG1 VAL 6 2HG1 VAL 6 -21.122 1.685 -13.054 38 1HG2 VAL 6 2HG2 VAL 6 -24.185 1.718 -10.732 39 2HG2 VAL 6 1HG2 VAL 6 -25.142 2.509 -11.981 40 3HG2 VAL 6 3HG2 VAL 6 -24.426 0.944 -12.295 41 H GLU 7 H GLU 7 -21.947 6.078 -10.682 42 HA GLU 7 HA GLU 7 -20.328 7.155 -12.625 43 1HB GLU 7 2HB GLU 7 -19.965 7.396 -9.580 44 2HB GLU 7 1HB GLU 7 -19.249 8.472 -10.758 45 1HG GLU 7 2HG GLU 7 -21.565 9.136 -11.527 46 2HG GLU 7 1HG GLU 7 -22.251 8.100 -10.286 47 H THR 8 H THR 8 -19.131 5.495 -9.739 48 HA THR 8 HA THR 8 -17.145 4.484 -9.270 49 HB THR 8 HB THR 8 -16.595 2.655 -11.002 50 HG1 THR 8 HG1 THR 8 -18.760 3.862 -12.676 51 1HG2 THR 8 3HG2 THR 8 -19.402 2.799 -9.759 52 2HG2 THR 8 2HG2 THR 8 -18.651 1.359 -10.461 53 3HG2 THR 8 1HG2 THR 8 -17.912 2.187 -9.112 54 H LEU 9 H LEU 9 -16.097 6.533 -9.342 55 HA LEU 9 HA LEU 9 -14.625 7.533 -11.502 56 1HB LEU 9 2HB LEU 9 -14.182 7.762 -8.482 57 2HB LEU 9 1HB LEU 9 -13.160 8.577 -9.628 58 HG LEU 9 HG LEU 9 -15.160 9.731 -10.599 59 1HD1 LEU 9 3HD1 LEU 9 -16.662 8.478 -8.254 60 2HD1 LEU 9 2HD1 LEU 9 -17.243 9.867 -9.167 61 3HD1 LEU 9 1HD1 LEU 9 -17.050 8.330 -9.971 62 1HD2 LEU 9 1HD2 LEU 9 -13.686 10.840 -8.947 63 2HD2 LEU 9 3HD2 LEU 9 -15.351 11.373 -8.752 64 3HD2 LEU 9 2HD2 LEU 9 -14.662 10.205 -7.624 65 H GLU 10 H GLU 10 -13.624 5.387 -8.874 66 HA GLU 10 HA GLU 10 -11.450 4.303 -10.598 67 1HB GLU 10 2HB GLU 10 -11.267 4.828 -7.581 68 2HB GLU 10 1HB GLU 10 -10.092 3.929 -8.521 69 1HG GLU 10 2HG GLU 10 -9.818 6.023 -9.998 70 2HG GLU 10 1HG GLU 10 -10.770 6.895 -8.816 71 H VAL 11 H VAL 11 -11.655 2.840 -7.580 72 HA VAL 11 HA VAL 11 -12.278 0.881 -6.847 73 HB VAL 11 HB VAL 11 -14.488 0.069 -7.010 74 1HG1 VAL 11 1HG1 VAL 11 -14.102 2.013 -5.557 75 2HG1 VAL 11 3HG1 VAL 11 -14.537 3.108 -6.868 76 3HG1 VAL 11 2HG1 VAL 11 -15.743 2.014 -6.196 77 1HG2 VAL 11 1HG2 VAL 11 -14.822 0.515 -9.556 78 2HG2 VAL 11 3HG2 VAL 11 -16.204 0.748 -8.496 79 3HG2 VAL 11 2HG2 VAL 11 -15.318 2.142 -9.076 80 H GLU 12 H GLU 12 -10.964 1.143 -9.566 81 HA GLU 12 HA GLU 12 -11.399 -1.601 -10.601 82 1HB GLU 12 2HB GLU 12 -9.719 0.691 -11.736 83 2HB GLU 12 1HB GLU 12 -9.998 -0.844 -12.525 84 1HG GLU 12 2HG GLU 12 -12.115 1.209 -11.812 85 2HG GLU 12 1HG GLU 12 -11.516 0.901 -13.429 86 H LYS 13 H LYS 13 -10.171 -0.873 -8.130 87 HA LYS 13 HA LYS 13 -8.651 -1.610 -6.681 88 1HB LYS 13 2HB LYS 13 -7.963 -3.509 -8.919 89 2HB LYS 13 1HB LYS 13 -7.140 -3.563 -7.381 90 1HG LYS 13 2HG LYS 13 -10.117 -3.930 -7.839 91 2HG LYS 13 1HG LYS 13 -8.932 -5.142 -7.387 92 1HD LYS 13 2HD LYS 13 -8.543 -3.498 -5.294 93 2HD LYS 13 1HD LYS 13 -10.140 -2.942 -5.721 94 1HE LYS 13 1HE LYS 13 -10.705 -5.534 -5.733 95 2HE LYS 13 2HE LYS 13 -9.312 -5.659 -4.675 96 1HZ LYS 13 1HZ LYS 13 -11.632 -3.886 -4.266 97 2HZ LYS 13 3HZ LYS 13 -11.421 -5.418 -3.563 98 3HZ LYS 13 2HZ LYS 13 -10.354 -4.141 -3.178 99 H TRP 14 H TRP 14 -7.431 0.138 -9.501 100 HA TRP 14 HA TRP 14 -4.727 -0.356 -8.694 101 1HB TRP 14 2HB TRP 14 -3.764 0.962 -10.138 102 2HB TRP 14 1HB TRP 14 -5.201 0.462 -10.941 103 HD1 TRP 14 HD1 TRP 14 -6.379 2.297 -12.266 104 HE1 TRP 14 HE1 TRP 14 -6.091 4.823 -12.499 105 HE3 TRP 14 HE3 TRP 14 -3.342 3.177 -8.239 106 HZ2 TRP 14 HZ2 TRP 14 -4.564 6.962 -11.132 107 HZ3 TRP 14 HZ3 TRP 14 -2.620 5.452 -7.723 108 HH2 TRP 14 HH2 TRP 14 -3.303 7.341 -9.202 109 H PHE 15 H PHE 15 -7.152 1.821 -7.467 110 HA PHE 15 HA PHE 15 -5.130 2.845 -5.540 111 1HB PHE 15 2HB PHE 15 -6.544 4.379 -7.055 112 2HB PHE 15 1HB PHE 15 -7.891 4.050 -5.994 113 HD1 PHE 15 HD1 PHE 15 -4.309 5.117 -5.981 114 HD2 PHE 15 HD2 PHE 15 -8.101 5.380 -4.027 115 HE1 PHE 15 HE1 PHE 15 -3.430 6.902 -4.517 116 HE2 PHE 15 HE2 PHE 15 -7.217 7.140 -2.549 117 HZ PHE 15 HZ PHE 15 -4.891 7.915 -2.802 118 H PHE 16 H PHE 16 -4.946 1.469 -3.992 119 HA PHE 16 HA PHE 16 -7.361 0.509 -2.534 120 1HB PHE 16 2HB PHE 16 -5.116 -0.973 -3.614 121 2HB PHE 16 1HB PHE 16 -4.788 -0.968 -1.932 122 HD1 PHE 16 HD1 PHE 16 -7.815 -1.116 -0.974 123 HD2 PHE 16 HD2 PHE 16 -5.513 -3.244 -3.878 124 HE1 PHE 16 HE1 PHE 16 -9.304 -3.043 -0.749 125 HE2 PHE 16 HE2 PHE 16 -7.068 -5.147 -3.702 126 HZ PHE 16 HZ PHE 16 -8.908 -5.081 -2.078 127 H ARG 17 H ARG 17 -7.200 0.401 -0.209 128 HA ARG 17 HA ARG 17 -5.657 2.634 0.898 129 1HB ARG 17 2HB ARG 17 -7.693 0.621 1.956 130 2HB ARG 17 1HB ARG 17 -6.731 1.419 3.140 131 1HG ARG 17 2HG ARG 17 -7.374 3.643 2.205 132 2HG ARG 17 1HG ARG 17 -8.490 2.844 1.122 133 1HD ARG 17 2HD ARG 17 -9.024 1.792 3.788 134 2HD ARG 17 1HD ARG 17 -8.845 3.524 3.942 135 HE ARG 17 HE ARG 17 -10.873 3.772 2.916 136 1HH1 ARG 17 1HH2 ARG 17 -9.507 0.653 2.018 137 2HH1 ARG 17 2HH2 ARG 17 -10.872 0.165 1.070 138 1HH2 ARG 17 2HH1 ARG 17 -12.660 3.118 1.677 139 2HH2 ARG 17 1HH1 ARG 17 -12.680 1.580 0.884 140 H THR 18 H THR 18 -4.926 1.708 3.343 141 HA THR 18 HA THR 18 -2.436 0.347 2.741 142 HB THR 18 HB THR 18 -2.016 1.953 4.330 143 HG1 THR 18 HG1 THR 18 -2.278 -0.475 6.024 144 1HG2 THR 18 3HG2 THR 18 -4.755 1.516 5.660 145 2HG2 THR 18 2HG2 THR 18 -3.493 2.645 6.224 146 3HG2 THR 18 1HG2 THR 18 -4.186 2.809 4.665 147 H ILE 19 H ILE 19 -3.546 -1.382 1.972 148 HA ILE 19 HA ILE 19 -4.875 -3.270 3.745 149 HB ILE 19 HB ILE 19 -4.969 -2.870 1.111 150 1HG1 ILE 19 1HG1 ILE 19 -5.183 -5.582 2.322 151 2HG1 ILE 19 2HG1 ILE 19 -6.434 -4.415 2.123 152 1HG2 ILE 19 1HG2 ILE 19 -2.437 -3.466 0.842 153 2HG2 ILE 19 3HG2 ILE 19 -3.033 -5.129 0.913 154 3HG2 ILE 19 2HG2 ILE 19 -3.611 -4.033 -0.341 155 1HD1 ILE 19 3HD1 ILE 19 -6.159 -4.525 -0.397 156 2HD1 ILE 19 2HD1 ILE 19 -5.038 -5.851 -0.215 157 3HD1 ILE 19 1HD1 ILE 19 -6.711 -6.050 0.301 158 H SER 20 H SER 20 -3.753 -5.592 3.872 159 HA SER 20 HA SER 20 -1.135 -4.932 5.062 160 1HB SER 20 2HB SER 20 -2.374 -6.809 6.093 161 2HB SER 20 1HB SER 20 -2.532 -7.641 4.636 162 HG SER 20 HG SER 20 0.360 -7.688 5.230 163 H ARG 21 H ARG 21 0.880 -5.878 4.355 164 HA ARG 21 HA ARG 21 1.398 -5.603 1.614 165 1HB ARG 21 2HB ARG 21 3.089 -5.615 3.556 166 2HB ARG 21 1HB ARG 21 3.095 -7.346 3.513 167 1HG ARG 21 2HG ARG 21 4.540 -7.407 1.790 168 2HG ARG 21 1HG ARG 21 3.537 -6.405 0.808 169 1HD ARG 21 2HD ARG 21 5.697 -5.288 1.060 170 2HD ARG 21 1HD ARG 21 4.519 -4.341 1.995 171 HE ARG 21 HE ARG 21 5.673 -6.346 3.640 172 1HH1 ARG 21 1HH2 ARG 21 6.475 -3.333 2.009 173 2HH1 ARG 21 2HH2 ARG 21 7.740 -2.899 3.112 174 1HH2 ARG 21 2HH1 ARG 21 7.368 -5.766 5.080 175 2HH2 ARG 21 1HH1 ARG 21 8.242 -4.291 4.864 176 H LYS 22 H LYS 22 0.610 -8.437 3.530 177 HA LYS 22 HA LYS 22 0.818 -10.388 1.439 178 1HB LYS 22 2HB LYS 22 0.110 -11.915 2.942 179 2HB LYS 22 1HB LYS 22 0.927 -10.775 3.965 180 1HG LYS 22 2HG LYS 22 -0.992 -11.059 5.258 181 2HG LYS 22 1HG LYS 22 -1.669 -9.859 4.204 182 1HD LYS 22 2HD LYS 22 -3.242 -11.561 4.216 183 2HD LYS 22 1HD LYS 22 -2.456 -11.655 2.665 184 1HE LYS 22 1HE LYS 22 -1.265 -13.448 4.752 185 2HE LYS 22 2HE LYS 22 -2.919 -13.822 4.271 186 1HZ LYS 22 1HZ LYS 22 -2.224 -13.784 1.980 187 2HZ LYS 22 3HZ LYS 22 -0.617 -13.561 2.470 188 3HZ LYS 22 2HZ LYS 22 -1.444 -14.985 2.903 189 H ASP 23 H ASP 23 -1.671 -8.134 2.376 190 HA ASP 23 HA ASP 23 -3.707 -9.829 1.327 191 1HB ASP 23 2HB ASP 23 -3.648 -6.939 2.284 192 2HB ASP 23 1HB ASP 23 -5.087 -7.510 1.488 193 H ALA 24 H ALA 24 -2.154 -6.952 0.445 194 HA ALA 24 HA ALA 24 -3.455 -6.525 -2.097 195 1HB ALA 24 2HB ALA 24 -1.235 -5.310 -0.622 196 2HB ALA 24 1HB ALA 24 -0.791 -5.480 -2.327 197 3HB ALA 24 3HB ALA 24 -2.265 -4.608 -1.891 198 H GLU 25 H GLU 25 -0.797 -8.459 -1.017 199 HA GLU 25 HA GLU 25 0.151 -9.318 -3.579 200 1HB GLU 25 2HB GLU 25 0.386 -10.363 -0.731 201 2HB GLU 25 1HB GLU 25 0.946 -11.367 -2.020 202 1HG GLU 25 2HG GLU 25 2.648 -9.781 -2.674 203 2HG GLU 25 1HG GLU 25 2.017 -8.529 -1.632 204 H ARG 26 H ARG 26 -2.410 -10.416 -1.314 205 HA ARG 26 HA ARG 26 -2.828 -12.928 -2.552 206 1HB ARG 26 2HB ARG 26 -4.651 -13.172 -1.097 207 2HB ARG 26 1HB ARG 26 -3.778 -11.897 -0.304 208 1HG ARG 26 2HG ARG 26 -5.519 -10.387 -1.817 209 2HG ARG 26 1HG ARG 26 -6.417 -11.835 -1.688 210 1HD ARG 26 2HD ARG 26 -6.348 -11.506 0.891 211 2HD ARG 26 1HD ARG 26 -5.517 -9.987 0.568 212 HE ARG 26 HE ARG 26 -7.386 -9.031 -0.207 213 1HH1 ARG 26 1HH2 ARG 26 -7.916 -12.493 0.107 214 2HH1 ARG 26 2HH2 ARG 26 -9.599 -12.409 -0.316 215 1HH2 ARG 26 2HH1 ARG 26 -9.557 -8.930 -0.753 216 2HH2 ARG 26 1HH1 ARG 26 -10.542 -10.358 -0.784 217 H GLN 27 H GLN 27 -3.877 -9.734 -3.132 218 HA GLN 27 HA GLN 27 -6.014 -10.215 -4.916 219 1HB GLN 27 2HB GLN 27 -4.300 -7.730 -4.648 220 2HB GLN 27 1HB GLN 27 -5.734 -7.754 -5.607 221 1HG GLN 27 2HG GLN 27 -5.763 -8.596 -2.704 222 2HG GLN 27 1HG GLN 27 -5.877 -6.919 -3.130 223 1HE2 GLN 27 2HE2 GLN 27 -9.060 -8.585 -4.948 224 2HE2 GLN 27 1HE2 GLN 27 -7.469 -8.623 -5.593 225 H LEU 28 H LEU 28 -2.588 -9.268 -5.587 226 HA LEU 28 HA LEU 28 -3.091 -9.448 -8.420 227 1HB LEU 28 2HB LEU 28 -0.512 -9.040 -6.965 228 2HB LEU 28 1HB LEU 28 -0.723 -8.786 -8.695 229 HG LEU 28 HG LEU 28 -2.350 -7.344 -6.599 230 1HD1 LEU 28 2HD1 LEU 28 0.283 -6.647 -7.935 231 2HD1 LEU 28 1HD1 LEU 28 -0.758 -5.423 -7.251 232 3HD1 LEU 28 3HD1 LEU 28 -0.107 -6.681 -6.206 233 1HD2 LEU 28 2HD2 LEU 28 -1.941 -6.924 -9.557 234 2HD2 LEU 28 1HD2 LEU 28 -3.449 -7.368 -8.814 235 3HD2 LEU 28 3HD2 LEU 28 -2.778 -5.763 -8.543 236 H LEU 29 H LEU 29 -1.789 -11.633 -5.917 237 HA LEU 29 HA LEU 29 -0.674 -13.538 -7.651 238 1HB LEU 29 2HB LEU 29 -1.677 -13.641 -4.814 239 2HB LEU 29 1HB LEU 29 -0.976 -15.033 -5.576 240 HG LEU 29 HG LEU 29 0.551 -12.371 -5.526 241 1HD1 LEU 29 1HD1 LEU 29 -0.108 -13.087 -3.225 242 2HD1 LEU 29 3HD1 LEU 29 0.767 -14.588 -3.455 243 3HD1 LEU 29 2HD1 LEU 29 1.638 -13.046 -3.498 244 1HD2 LEU 29 1HD2 LEU 29 1.169 -14.555 -7.038 245 2HD2 LEU 29 3HD2 LEU 29 2.431 -13.699 -6.144 246 3HD2 LEU 29 2HD2 LEU 29 1.733 -15.192 -5.534 247 H ALA 30 H ALA 30 -3.951 -12.678 -6.967 248 HA ALA 30 HA ALA 30 -5.317 -15.063 -7.271 249 1HB ALA 30 3HB ALA 30 -6.403 -12.820 -6.758 250 2HB ALA 30 2HB ALA 30 -6.128 -12.314 -8.428 251 3HB ALA 30 1HB ALA 30 -7.226 -13.631 -8.093 252 HA PRO 31 HA PRO 31 -4.408 -16.283 -11.448 253 1HB PRO 31 2HB PRO 31 -6.568 -17.944 -11.980 254 2HB PRO 31 1HB PRO 31 -5.247 -18.342 -10.892 255 1HG PRO 31 2HG PRO 31 -7.923 -17.202 -10.134 256 2HG PRO 31 1HG PRO 31 -7.075 -18.563 -9.369 257 1HD PRO 31 1HD PRO 31 -7.021 -16.079 -8.297 258 2HD PRO 31 2HD PRO 31 -5.581 -17.129 -8.241 259 H MET 32 H MET 32 -6.848 -14.034 -10.741 260 HA MET 32 HA MET 32 -8.197 -13.961 -13.203 261 1HB MET 32 2HB MET 32 -7.999 -12.456 -10.594 262 2HB MET 32 1HB MET 32 -8.847 -11.703 -11.889 263 1HG MET 32 2HG MET 32 -10.295 -13.753 -12.168 264 2HG MET 32 1HG MET 32 -9.444 -14.513 -10.860 265 1HE MET 32 1HE MET 32 -9.796 -14.381 -8.640 266 2HE MET 32 3HE MET 32 -9.366 -12.708 -8.255 267 3HE MET 32 2HE MET 32 -10.931 -13.385 -7.745 268 H ASN 33 H ASN 33 -5.233 -12.550 -12.006 269 HA ASN 33 HA ASN 33 -4.792 -11.385 -14.673 270 1HB ASN 33 2HB ASN 33 -4.489 -9.589 -12.178 271 2HB ASN 33 1HB ASN 33 -4.045 -9.189 -13.829 272 1HD2 ASN 33 2HD2 ASN 33 -7.858 -8.821 -12.562 273 2HD2 ASN 33 1HD2 ASN 33 -6.658 -9.553 -11.557 274 H LYS 34 H LYS 34 -2.649 -10.256 -14.771 275 HA LYS 34 HA LYS 34 -0.518 -11.660 -13.320 276 1HB LYS 34 2HB LYS 34 0.669 -11.825 -15.769 277 2HB LYS 34 1HB LYS 34 -0.349 -13.055 -15.171 278 1HG LYS 34 2HG LYS 34 -1.716 -10.851 -16.711 279 2HG LYS 34 1HG LYS 34 -0.691 -11.948 -17.604 280 1HD LYS 34 2HD LYS 34 -1.810 -13.886 -16.882 281 2HD LYS 34 1HD LYS 34 -2.560 -13.068 -15.570 282 1HE LYS 34 1HE LYS 34 -4.346 -13.410 -17.161 283 2HE LYS 34 2HE LYS 34 -3.958 -11.698 -17.266 284 1HZ LYS 34 3HZ LYS 34 -3.015 -13.822 -19.080 285 2HZ LYS 34 2HZ LYS 34 -4.236 -12.688 -19.392 286 3HZ LYS 34 1HZ LYS 34 -2.628 -12.172 -19.197 287 H ALA 35 H ALA 35 1.425 -10.922 -14.417 288 HA ALA 35 HA ALA 35 2.375 -8.565 -13.425 289 1HB ALA 35 2HB ALA 35 3.310 -9.998 -15.934 290 2HB ALA 35 1HB ALA 35 4.061 -8.474 -15.465 291 3HB ALA 35 3HB ALA 35 4.111 -9.822 -14.366 292 H GLY 36 H GLY 36 1.807 -6.606 -13.542 293 1HA GLY 36 2HA GLY 36 1.767 -4.614 -14.745 294 2HA GLY 36 1HA GLY 36 0.826 -5.365 -16.058 295 H SER 37 H SER 37 -0.855 -6.819 -14.131 296 HA SER 37 HA SER 37 -2.688 -4.866 -13.238 297 1HB SER 37 2HB SER 37 -3.712 -6.704 -11.862 298 2HB SER 37 1HB SER 37 -3.619 -7.150 -13.474 299 HG SER 37 HG SER 37 -1.275 -8.406 -12.317 300 H PHE 38 H PHE 38 -2.608 -3.589 -11.532 301 HA PHE 38 HA PHE 38 -0.621 -4.155 -9.383 302 1HB PHE 38 2HB PHE 38 -1.221 -1.487 -10.918 303 2HB PHE 38 1HB PHE 38 -0.403 -1.472 -9.403 304 HD1 PHE 38 HD1 PHE 38 0.688 -3.998 -11.983 305 HD2 PHE 38 HD2 PHE 38 1.218 -0.145 -10.271 306 HE1 PHE 38 HE1 PHE 38 2.826 -3.739 -13.139 307 HE2 PHE 38 HE2 PHE 38 3.470 -0.019 -11.193 308 HZ PHE 38 HZ PHE 38 4.284 -1.852 -12.670 309 H LEU 39 H LEU 39 -0.954 -2.430 -7.681 310 HA LEU 39 HA LEU 39 -3.698 -1.462 -7.098 311 1HB LEU 39 2HB LEU 39 -2.142 -2.551 -4.719 312 2HB LEU 39 1HB LEU 39 -3.831 -2.490 -4.954 313 HG LEU 39 HG LEU 39 -2.305 -4.447 -6.605 314 1HD1 LEU 39 3HD1 LEU 39 -1.414 -4.374 -4.127 315 2HD1 LEU 39 2HD1 LEU 39 -2.937 -5.130 -3.765 316 3HD1 LEU 39 1HD1 LEU 39 -1.793 -5.918 -4.864 317 1HD2 LEU 39 3HD2 LEU 39 -4.852 -4.359 -6.554 318 2HD2 LEU 39 2HD2 LEU 39 -4.027 -5.912 -6.214 319 3HD2 LEU 39 1HD2 LEU 39 -4.662 -4.953 -4.860 320 H ILE 40 H ILE 40 -3.252 0.035 -4.788 321 HA ILE 40 HA ILE 40 -0.369 0.678 -4.695 322 HB ILE 40 HB ILE 40 -1.745 2.052 -6.660 323 1HG1 ILE 40 1HG1 ILE 40 0.150 3.856 -5.148 324 2HG1 ILE 40 2HG1 ILE 40 0.783 2.310 -5.638 325 1HG2 ILE 40 2HG2 ILE 40 -3.230 3.240 -5.012 326 2HG2 ILE 40 1HG2 ILE 40 -1.775 3.921 -4.275 327 3HG2 ILE 40 3HG2 ILE 40 -2.142 4.357 -5.906 328 1HD1 ILE 40 1HD1 ILE 40 -0.298 2.842 -8.068 329 2HD1 ILE 40 3HD1 ILE 40 -0.481 4.437 -7.377 330 3HD1 ILE 40 2HD1 ILE 40 1.140 3.692 -7.551 331 H ARG 41 H ARG 41 -0.596 -0.255 -2.731 332 HA ARG 41 HA ARG 41 -2.678 0.594 -0.942 333 1HB ARG 41 2HB ARG 41 -2.223 -1.301 0.240 334 2HB ARG 41 1HB ARG 41 -1.753 -1.758 -1.350 335 1HG ARG 41 2HG ARG 41 -0.006 -2.621 -0.124 336 2HG ARG 41 1HG ARG 41 0.680 -1.080 -0.558 337 1HD ARG 41 2HD ARG 41 -0.532 -0.347 1.790 338 2HD ARG 41 1HD ARG 41 -0.338 -2.046 2.132 339 HE ARG 41 HE ARG 41 1.694 -0.001 1.731 340 1HH1 ARG 41 1HH2 ARG 41 1.059 -3.381 2.470 341 2HH1 ARG 41 2HH2 ARG 41 2.626 -3.657 3.155 342 1HH2 ARG 41 2HH1 ARG 41 3.688 -0.351 2.607 343 2HH2 ARG 41 1HH1 ARG 41 4.130 -1.885 3.281 344 H GLU 42 H GLU 42 -2.612 2.226 0.414 345 HA GLU 42 HA GLU 42 -0.469 3.954 0.486 346 1HB GLU 42 2HB GLU 42 -1.708 5.414 1.788 347 2HB GLU 42 1HB GLU 42 -2.924 4.425 1.009 348 1HG GLU 42 2HG GLU 42 -3.100 3.109 2.998 349 2HG GLU 42 1HG GLU 42 -2.023 4.153 3.917 350 H SER 43 H SER 43 0.888 4.829 2.298 351 HA SER 43 HA SER 43 1.836 2.590 3.951 352 1HB SER 43 2HB SER 43 3.468 3.918 2.389 353 2HB SER 43 1HB SER 43 2.978 5.323 3.013 354 HG SER 43 HG SER 43 4.301 4.020 5.278 355 H GLU 44 H GLU 44 0.520 2.589 5.655 356 HA GLU 44 HA GLU 44 -0.958 4.670 6.674 357 1HB GLU 44 2HB GLU 44 -1.252 3.166 8.689 358 2HB GLU 44 1HB GLU 44 -1.597 2.556 7.103 359 1HG GLU 44 2HG GLU 44 -0.428 0.847 8.483 360 2HG GLU 44 1HG GLU 44 0.483 1.236 7.043 361 H SER 45 H SER 45 2.386 4.115 7.254 362 HA SER 45 HA SER 45 2.770 5.370 9.747 363 1HB SER 45 2HB SER 45 5.149 5.403 8.996 364 2HB SER 45 1HB SER 45 4.394 3.923 8.681 365 HG SER 45 HG SER 45 4.274 5.544 6.168 366 H ASN 46 H ASN 46 2.424 6.683 6.453 367 HA ASN 46 HA ASN 46 3.064 9.435 7.364 368 1HB ASN 46 2HB ASN 46 3.563 9.704 4.795 369 2HB ASN 46 1HB ASN 46 4.794 8.896 5.676 370 1HD2 ASN 46 2HD2 ASN 46 4.742 6.014 4.001 371 2HD2 ASN 46 1HD2 ASN 46 5.503 7.069 5.127 372 H LYS 47 H LYS 47 1.989 11.127 6.269 373 HA LYS 47 HA LYS 47 -0.698 10.422 5.469 374 1HB LYS 47 2HB LYS 47 -1.166 12.921 5.980 375 2HB LYS 47 1HB LYS 47 -0.883 11.784 7.280 376 1HG LYS 47 2HG LYS 47 0.297 13.782 7.707 377 2HG LYS 47 1HG LYS 47 1.418 12.463 7.445 378 1HD LYS 47 2HD LYS 47 2.003 13.256 5.224 379 2HD LYS 47 1HD LYS 47 0.610 14.300 5.176 380 1HE LYS 47 1HE LYS 47 2.515 15.731 5.549 381 2HE LYS 47 2HE LYS 47 1.538 15.697 7.010 382 1HZ LYS 47 3HZ LYS 47 3.983 14.114 6.540 383 2HZ LYS 47 2HZ LYS 47 3.883 15.544 7.453 384 3HZ LYS 47 1HZ LYS 47 3.064 14.147 7.967 385 H GLY 48 H GLY 48 0.773 9.741 3.589 386 1HA GLY 48 2HA GLY 48 -0.271 10.920 1.367 387 2HA GLY 48 1HA GLY 48 1.191 11.929 1.631 388 H ALA 49 H ALA 49 2.061 9.017 2.626 389 HA ALA 49 HA ALA 49 3.327 8.461 -0.037 390 1HB ALA 49 2HB ALA 49 4.664 8.452 2.525 391 2HB ALA 49 1HB ALA 49 4.462 6.750 2.055 392 3HB ALA 49 3HB ALA 49 5.310 7.871 1.002 393 H PHE 50 H PHE 50 3.434 6.351 -0.819 394 HA PHE 50 HA PHE 50 1.351 4.539 0.212 395 1HB PHE 50 2HB PHE 50 1.749 5.688 -2.607 396 2HB PHE 50 1HB PHE 50 0.877 4.223 -2.451 397 HD1 PHE 50 HD2 PHE 50 0.932 7.801 -1.520 398 HD2 PHE 50 HD1 PHE 50 -1.417 4.244 -1.768 399 HE1 PHE 50 HE2 PHE 50 -1.096 9.130 -1.154 400 HE2 PHE 50 HE1 PHE 50 -3.457 5.563 -1.399 401 HZ PHE 50 HZ PHE 50 -3.301 8.022 -1.080 402 H SER 51 H SER 51 1.585 2.651 -1.780 403 HA SER 51 HA SER 51 4.345 1.822 -2.103 404 1HB SER 51 2HB SER 51 2.617 -0.532 -1.303 405 2HB SER 51 1HB SER 51 4.196 -0.135 -0.959 406 HG SER 51 HG SER 51 2.282 1.456 0.763 407 H LEU 52 H LEU 52 4.460 0.111 -3.838 408 HA LEU 52 HA LEU 52 1.914 -0.027 -5.390 409 1HB LEU 52 2HB LEU 52 3.316 1.875 -6.132 410 2HB LEU 52 1HB LEU 52 4.680 0.847 -6.402 411 HG LEU 52 HG LEU 52 3.512 -0.270 -8.273 412 1HD1 LEU 52 2HD1 LEU 52 1.136 0.994 -7.062 413 2HD1 LEU 52 1HD1 LEU 52 1.171 1.190 -8.767 414 3HD1 LEU 52 3HD1 LEU 52 1.259 -0.438 -8.045 415 1HD2 LEU 52 3HD2 LEU 52 3.301 2.781 -8.449 416 2HD2 LEU 52 2HD2 LEU 52 4.696 1.803 -8.908 417 3HD2 LEU 52 1HD2 LEU 52 3.192 1.703 -9.829 418 H SER 53 H SER 53 1.295 -1.930 -5.499 419 HA SER 53 HA SER 53 3.205 -4.170 -5.694 420 1HB SER 53 2HB SER 53 0.204 -4.555 -5.483 421 2HB SER 53 1HB SER 53 1.419 -5.597 -4.952 422 HG SER 53 HG SER 53 1.435 -3.172 -3.178 423 H VAL 54 H VAL 54 3.282 -5.586 -7.113 424 HA VAL 54 HA VAL 54 1.613 -5.502 -9.549 425 HB VAL 54 HB VAL 54 4.707 -5.395 -9.747 426 1HG1 VAL 54 1HG1 VAL 54 2.594 -5.473 -11.836 427 2HG1 VAL 54 3HG1 VAL 54 4.249 -4.841 -12.098 428 3HG1 VAL 54 2HG1 VAL 54 3.996 -6.486 -11.605 429 1HG2 VAL 54 1HG2 VAL 54 2.841 -3.057 -9.783 430 2HG2 VAL 54 3HG2 VAL 54 4.182 -3.368 -8.735 431 3HG2 VAL 54 2HG2 VAL 54 4.515 -3.086 -10.427 432 H LYS 55 H LYS 55 1.743 -7.608 -10.712 433 HA LYS 55 HA LYS 55 2.737 -9.735 -8.992 434 1HB LYS 55 2HB LYS 55 0.683 -9.937 -10.225 435 2HB LYS 55 1HB LYS 55 1.532 -9.393 -11.673 436 1HG LYS 55 2HG LYS 55 2.108 -11.363 -12.315 437 2HG LYS 55 1HG LYS 55 2.752 -11.858 -10.779 438 1HD LYS 55 2HD LYS 55 -0.258 -11.810 -11.273 439 2HD LYS 55 1HD LYS 55 0.713 -13.154 -11.841 440 1HE LYS 55 1HE LYS 55 0.437 -12.221 -8.957 441 2HE LYS 55 2HE LYS 55 -0.223 -13.697 -9.678 442 1HZ LYS 55 1HZ LYS 55 2.060 -14.376 -10.108 443 2HZ LYS 55 3HZ LYS 55 2.600 -12.986 -9.307 444 3HZ LYS 55 2HZ LYS 55 1.752 -14.176 -8.461 445 H ASP 56 H ASP 56 5.300 -9.963 -8.991 446 HA ASP 56 HA ASP 56 6.349 -9.519 -11.716 447 1HB ASP 56 2HB ASP 56 7.534 -8.463 -10.091 448 2HB ASP 56 1HB ASP 56 7.727 -9.873 -9.092 449 H ILE 57 H ILE 57 6.409 -10.928 -13.211 450 HA ILE 57 HA ILE 57 6.224 -13.777 -12.459 451 HB ILE 57 HB ILE 57 6.285 -12.630 -15.261 452 1HG1 ILE 57 1HG1 ILE 57 4.240 -11.815 -14.638 453 2HG1 ILE 57 2HG1 ILE 57 3.793 -13.390 -15.233 454 1HG2 ILE 57 3HG2 ILE 57 6.948 -15.044 -15.156 455 2HG2 ILE 57 2HG2 ILE 57 5.438 -15.383 -14.295 456 3HG2 ILE 57 1HG2 ILE 57 5.405 -14.831 -15.969 457 1HD1 ILE 57 3HD1 ILE 57 4.138 -14.180 -12.864 458 2HD1 ILE 57 2HD1 ILE 57 4.068 -12.466 -12.421 459 3HD1 ILE 57 1HD1 ILE 57 2.664 -13.235 -13.209 460 H THR 58 H THR 58 7.828 -15.036 -12.281 461 HA THR 58 HA THR 58 10.298 -14.631 -13.784 462 HB THR 58 HB THR 58 10.569 -13.185 -11.856 463 HG1 THR 58 HG1 THR 58 12.415 -15.486 -11.450 464 1HG2 THR 58 3HG2 THR 58 9.663 -15.428 -9.953 465 2HG2 THR 58 2HG2 THR 58 10.396 -13.900 -9.449 466 3HG2 THR 58 1HG2 THR 58 8.919 -13.908 -10.345 467 H THR 59 H THR 59 11.929 -16.363 -13.207 468 HA THR 59 HA THR 59 10.508 -18.873 -13.388 469 HB THR 59 HB THR 59 12.342 -18.959 -14.682 470 HG1 THR 59 HG1 THR 59 13.091 -20.679 -12.356 471 1HG2 THR 59 3HG2 THR 59 13.612 -17.063 -14.048 472 2HG2 THR 59 2HG2 THR 59 14.293 -17.791 -12.585 473 3HG2 THR 59 1HG2 THR 59 14.678 -18.406 -14.164 474 H GLN 60 H GLN 60 11.299 -17.006 -10.740 475 HA GLN 60 HA GLN 60 11.599 -19.391 -8.975 476 1HB GLN 60 2HB GLN 60 12.035 -16.463 -8.362 477 2HB GLN 60 1HB GLN 60 12.125 -17.726 -7.185 478 1HG GLN 60 2HG GLN 60 13.942 -18.878 -8.356 479 2HG GLN 60 1HG GLN 60 13.911 -17.777 -9.692 480 1HE2 GLN 60 2HE2 GLN 60 15.254 -14.983 -7.827 481 2HE2 GLN 60 1HE2 GLN 60 13.982 -15.350 -8.940 482 H GLY 61 H GLY 61 9.104 -18.264 -10.421 483 1HA GLY 61 2HA GLY 61 6.995 -19.104 -9.683 484 2HA GLY 61 1HA GLY 61 7.307 -18.420 -8.047 485 H GLU 62 H GLU 62 4.884 -17.935 -9.372 486 HA GLU 62 HA GLU 62 4.968 -15.412 -10.660 487 1HB GLU 62 2HB GLU 62 3.379 -17.705 -10.623 488 2HB GLU 62 1HB GLU 62 2.550 -16.820 -9.384 489 1HG GLU 62 2HG GLU 62 1.383 -15.716 -10.949 490 2HG GLU 62 1HG GLU 62 2.881 -14.984 -11.524 491 H VAL 63 H VAL 63 5.806 -13.801 -9.163 492 HA VAL 63 HA VAL 63 4.712 -13.881 -6.405 493 HB VAL 63 HB VAL 63 6.662 -12.676 -5.748 494 1HG1 VAL 63 1HG1 VAL 63 6.918 -15.133 -5.980 495 2HG1 VAL 63 3HG1 VAL 63 7.640 -14.898 -7.570 496 3HG1 VAL 63 2HG1 VAL 63 8.436 -14.255 -6.144 497 1HG2 VAL 63 2HG2 VAL 63 6.854 -11.309 -8.003 498 2HG2 VAL 63 1HG2 VAL 63 8.321 -11.706 -7.138 499 3HG2 VAL 63 3HG2 VAL 63 7.861 -12.639 -8.547 500 H VAL 64 H VAL 64 5.428 -11.354 -5.807 501 HA VAL 64 HA VAL 64 3.962 -9.473 -7.455 502 HB VAL 64 HB VAL 64 3.174 -10.428 -4.764 503 1HG1 VAL 64 3HG1 VAL 64 2.655 -7.594 -5.693 504 2HG1 VAL 64 2HG1 VAL 64 1.818 -8.395 -4.381 505 3HG1 VAL 64 1HG1 VAL 64 3.536 -8.028 -4.184 506 1HG2 VAL 64 2HG2 VAL 64 1.869 -10.899 -6.916 507 2HG2 VAL 64 1HG2 VAL 64 0.946 -10.043 -5.672 508 3HG2 VAL 64 3HG2 VAL 64 1.623 -9.134 -7.009 509 H LYS 65 H LYS 65 4.404 -7.368 -6.179 510 HA LYS 65 HA LYS 65 6.954 -6.848 -4.952 511 1HB LYS 65 2HB LYS 65 6.401 -5.665 -7.660 512 2HB LYS 65 1HB LYS 65 7.063 -4.572 -6.534 513 1HG LYS 65 2HG LYS 65 9.022 -5.358 -7.381 514 2HG LYS 65 1HG LYS 65 8.845 -6.483 -6.070 515 1HD LYS 65 2HD LYS 65 7.549 -7.860 -7.797 516 2HD LYS 65 1HD LYS 65 8.304 -6.859 -8.995 517 1HE LYS 65 1HE LYS 65 10.209 -8.022 -6.962 518 2HE LYS 65 2HE LYS 65 9.458 -9.204 -8.011 519 1HZ LYS 65 1HZ LYS 65 10.227 -8.010 -9.907 520 2HZ LYS 65 3HZ LYS 65 10.982 -6.857 -8.909 521 3HZ LYS 65 2HZ LYS 65 11.491 -8.482 -8.886 522 H HIS 66 H HIS 66 7.182 -4.592 -4.614 523 HA HIS 66 HA HIS 66 5.000 -2.867 -3.841 524 1HB HIS 66 2HB HIS 66 6.428 -4.532 -1.718 525 2HB HIS 66 1HB HIS 66 6.081 -2.883 -1.325 526 HD1 HIS 66 HD1 HIS 66 4.126 -6.029 -2.320 527 HD2 HIS 66 HD2 HIS 66 3.608 -2.323 -0.439 528 HE1 HIS 66 HE1 HIS 66 1.796 -6.011 -1.321 529 H TYR 67 H TYR 67 5.852 -1.079 -4.786 530 HA TYR 67 HA TYR 67 8.684 -0.370 -4.120 531 1HB TYR 67 2HB TYR 67 7.045 1.045 -6.258 532 2HB TYR 67 1HB TYR 67 8.773 0.977 -6.093 533 HD1 TYR 67 HD2 TYR 67 9.892 -1.387 -6.467 534 HD2 TYR 67 HD1 TYR 67 5.892 -0.424 -7.536 535 HE1 TYR 67 HE2 TYR 67 9.878 -3.274 -8.000 536 HE2 TYR 67 HE1 TYR 67 5.800 -2.153 -9.076 537 HH TYR 67 HH TYR 67 7.909 -3.899 -10.459 538 H LYS 68 H LYS 68 9.082 1.385 -2.973 539 HA LYS 68 HA LYS 68 6.848 2.727 -1.719 540 1HB LYS 68 2HB LYS 68 8.299 3.783 -0.221 541 2HB LYS 68 1HB LYS 68 8.519 2.062 -0.255 542 1HG LYS 68 2HG LYS 68 10.283 4.010 -1.754 543 2HG LYS 68 1HG LYS 68 10.579 3.492 -0.111 544 1HD LYS 68 2HD LYS 68 10.373 1.044 -1.206 545 2HD LYS 68 1HD LYS 68 10.849 1.895 -2.660 546 1HE LYS 68 1HE LYS 68 12.430 1.928 -0.037 547 2HE LYS 68 2HE LYS 68 12.782 0.889 -1.413 548 1HZ LYS 68 1HZ LYS 68 13.094 2.852 -2.750 549 2HZ LYS 68 3HZ LYS 68 12.867 3.825 -1.381 550 3HZ LYS 68 2HZ LYS 68 14.181 2.752 -1.442 551 H ILE 69 H ILE 69 5.908 4.227 -2.329 552 HA ILE 69 HA ILE 69 6.781 6.329 -4.133 553 HB ILE 69 HB ILE 69 4.154 6.657 -3.946 554 1HG1 ILE 69 1HG1 ILE 69 4.591 3.718 -3.976 555 2HG1 ILE 69 2HG1 ILE 69 3.701 4.745 -2.883 556 1HG2 ILE 69 2HG2 ILE 69 5.602 7.032 -5.957 557 2HG2 ILE 69 1HG2 ILE 69 5.075 5.410 -6.443 558 3HG2 ILE 69 3HG2 ILE 69 3.895 6.674 -6.085 559 1HD1 ILE 69 1HD1 ILE 69 3.139 4.366 -5.844 560 2HD1 ILE 69 3HD1 ILE 69 2.246 3.573 -4.532 561 3HD1 ILE 69 2HD1 ILE 69 2.194 5.346 -4.699 562 H ARG 70 H ARG 70 7.571 7.984 -3.154 563 HA ARG 70 HA ARG 70 6.612 8.899 -0.549 564 1HB ARG 70 2HB ARG 70 8.759 9.623 -2.574 565 2HB ARG 70 1HB ARG 70 8.294 10.878 -1.476 566 1HG ARG 70 2HG ARG 70 8.710 8.412 0.015 567 2HG ARG 70 1HG ARG 70 10.124 8.741 -0.966 568 1HD ARG 70 2HD ARG 70 10.406 10.978 -0.044 569 2HD ARG 70 1HD ARG 70 8.839 10.949 0.738 570 HE ARG 70 HE ARG 70 11.291 9.911 1.781 571 1HH1 ARG 70 1HH2 ARG 70 7.814 9.326 1.631 572 2HH1 ARG 70 2HH2 ARG 70 7.739 8.512 3.155 573 1HH2 ARG 70 2HH1 ARG 70 11.158 8.845 3.816 574 2HH2 ARG 70 1HH1 ARG 70 9.644 8.245 4.396 575 H SER 71 H SER 71 6.122 11.281 -0.416 576 HA SER 71 HA SER 71 4.495 12.125 -2.728 577 1HB SER 71 2HB SER 71 2.941 13.078 -0.819 578 2HB SER 71 1HB SER 71 2.811 11.478 -1.314 579 HG SER 71 HG SER 71 4.594 11.384 1.030 580 H LEU 72 H LEU 72 5.349 13.943 -3.532 581 HA LEU 72 HA LEU 72 6.698 15.821 -1.735 582 1HB LEU 72 2HB LEU 72 6.931 15.784 -4.758 583 2HB LEU 72 1HB LEU 72 8.072 16.347 -3.577 584 HG LEU 72 HG LEU 72 8.966 14.491 -4.406 585 1HD1 LEU 72 2HD1 LEU 72 8.374 14.615 -1.689 586 2HD1 LEU 72 1HD1 LEU 72 8.143 12.921 -2.101 587 3HD1 LEU 72 3HD1 LEU 72 9.666 13.767 -2.445 588 1HD2 LEU 72 3HD2 LEU 72 6.539 13.665 -5.259 589 2HD2 LEU 72 2HD2 LEU 72 7.914 12.621 -5.289 590 3HD2 LEU 72 1HD2 LEU 72 6.775 12.494 -3.956 591 H ASP 73 H ASP 73 6.217 17.761 -1.640 592 HA ASP 73 HA ASP 73 3.592 18.698 -2.396 593 1HB ASP 73 2HB ASP 73 4.402 20.929 -1.482 594 2HB ASP 73 1HB ASP 73 4.623 19.605 -0.353 595 H ASN 74 H ASN 74 6.775 18.969 -3.681 596 HA ASN 74 HA ASN 74 5.874 20.759 -5.857 597 1HB ASN 74 2HB ASN 74 8.333 21.259 -6.099 598 2HB ASN 74 1HB ASN 74 7.746 21.600 -4.484 599 1HD2 ASN 74 2HD2 ASN 74 9.834 19.389 -2.809 600 2HD2 ASN 74 1HD2 ASN 74 8.585 20.570 -2.738 601 H GLY 75 H GLY 75 6.089 17.579 -5.395 602 1HA GLY 75 2HA GLY 75 6.536 17.121 -8.279 603 2HA GLY 75 1HA GLY 75 7.768 16.387 -7.202 604 H GLY 76 H GLY 76 4.499 16.489 -6.118 605 1HA GLY 76 2HA GLY 76 2.802 14.958 -5.989 606 2HA GLY 76 1HA GLY 76 3.435 14.287 -7.506 607 H TYR 77 H TYR 77 5.062 12.638 -7.498 608 HA TYR 77 HA TYR 77 5.407 11.167 -5.023 609 1HB TYR 77 2HB TYR 77 3.943 9.756 -7.371 610 2HB TYR 77 1HB TYR 77 4.529 8.998 -5.915 611 HD1 TYR 77 HD2 TYR 77 2.129 11.407 -7.218 612 HD2 TYR 77 HD1 TYR 77 3.317 9.080 -3.880 613 HE1 TYR 77 HE2 TYR 77 0.022 11.962 -6.189 614 HE2 TYR 77 HE1 TYR 77 1.315 9.612 -2.711 615 HH TYR 77 HH TYR 77 -0.585 12.030 -3.099 616 H TYR 78 H TYR 78 7.016 9.768 -5.048 617 HA TYR 78 HA TYR 78 8.395 9.300 -7.647 618 1HB TYR 78 2HB TYR 78 10.462 10.202 -7.150 619 2HB TYR 78 1HB TYR 78 9.379 11.388 -6.548 620 HD1 TYR 78 HD2 TYR 78 11.606 8.596 -5.535 621 HD2 TYR 78 HD1 TYR 78 9.593 12.145 -4.186 622 HE1 TYR 78 HE2 TYR 78 12.800 8.455 -3.504 623 HE2 TYR 78 HE1 TYR 78 10.778 12.083 -2.183 624 HH TYR 78 HH TYR 78 13.498 10.746 -1.508 625 H ILE 79 H ILE 79 9.067 7.368 -7.974 626 HA ILE 79 HA ILE 79 9.246 5.479 -5.690 627 HB ILE 79 HB ILE 79 9.147 3.687 -7.648 628 1HG1 ILE 79 1HG1 ILE 79 7.260 5.907 -8.530 629 2HG1 ILE 79 2HG1 ILE 79 8.683 5.391 -9.399 630 1HG2 ILE 79 3HG2 ILE 79 6.977 4.753 -5.877 631 2HG2 ILE 79 2HG2 ILE 79 6.759 3.296 -6.854 632 3HG2 ILE 79 1HG2 ILE 79 8.017 3.371 -5.655 633 1HD1 ILE 79 1HD1 ILE 79 6.952 3.065 -8.864 634 2HD1 ILE 79 3HD1 ILE 79 6.043 4.347 -9.632 635 3HD1 ILE 79 2HD1 ILE 79 7.529 3.670 -10.366 636 H SER 80 H SER 80 11.016 7.226 -7.733 637 HA SER 80 HA SER 80 13.496 6.248 -6.679 638 1HB SER 80 2HB SER 80 13.949 5.002 -8.608 639 2HB SER 80 1HB SER 80 12.667 5.641 -9.475 640 HG SER 80 HG SER 80 14.783 7.725 -9.492 641 HA PRO 81 HA PRO 81 13.177 10.617 -6.630 642 1HB PRO 81 2HB PRO 81 16.088 10.985 -6.388 643 2HB PRO 81 1HB PRO 81 14.759 11.364 -5.252 644 1HG PRO 81 2HG PRO 81 16.507 9.276 -4.836 645 2HG PRO 81 1HG PRO 81 14.835 9.274 -4.273 646 1HD PRO 81 1HD PRO 81 16.004 7.904 -6.605 647 2HD PRO 81 2HD PRO 81 14.722 7.352 -5.501 648 H ARG 82 H ARG 82 15.321 9.264 -9.036 649 HA ARG 82 HA ARG 82 15.371 11.830 -10.484 650 1HB ARG 82 2HB ARG 82 16.804 11.077 -11.983 651 2HB ARG 82 1HB ARG 82 17.160 9.994 -10.702 652 1HG ARG 82 2HG ARG 82 16.779 8.189 -12.114 653 2HG ARG 82 1HG ARG 82 15.143 8.725 -12.399 654 1HD ARG 82 2HD ARG 82 16.018 8.747 -14.514 655 2HD ARG 82 1HD ARG 82 16.104 10.455 -14.023 656 HE ARG 82 HE ARG 82 18.536 9.486 -13.265 657 1HH1 ARG 82 1HH2 ARG 82 16.705 9.310 -16.282 658 2HH1 ARG 82 2HH2 ARG 82 18.112 9.203 -17.283 659 1HH2 ARG 82 2HH1 ARG 82 20.371 9.329 -14.623 660 2HH2 ARG 82 1HH1 ARG 82 20.187 9.208 -16.339 661 H ILE 83 H ILE 83 13.154 9.192 -10.314 662 HA ILE 83 HA ILE 83 11.601 10.326 -12.564 663 HB ILE 83 HB ILE 83 10.542 8.234 -12.909 664 1HG1 ILE 83 1HG1 ILE 83 12.560 6.513 -11.670 665 2HG1 ILE 83 2HG1 ILE 83 11.707 7.464 -10.467 666 1HG2 ILE 83 1HG2 ILE 83 12.435 8.929 -14.322 667 2HG2 ILE 83 3HG2 ILE 83 13.499 7.918 -13.337 668 3HG2 ILE 83 2HG2 ILE 83 12.177 7.190 -14.232 669 1HD1 ILE 83 2HD1 ILE 83 10.185 5.976 -12.613 670 2HD1 ILE 83 1HD1 ILE 83 10.570 5.246 -11.035 671 3HD1 ILE 83 3HD1 ILE 83 9.621 6.729 -11.098 672 H THR 84 H THR 84 10.688 11.733 -11.610 673 HA THR 84 HA THR 84 8.797 11.258 -9.356 674 HB THR 84 HB THR 84 9.530 13.970 -10.460 675 HG1 THR 84 HG1 THR 84 11.788 12.452 -9.192 676 1HG2 THR 84 1HG2 THR 84 8.945 13.013 -7.668 677 2HG2 THR 84 3HG2 THR 84 9.569 14.633 -8.023 678 3HG2 THR 84 2HG2 THR 84 8.102 14.070 -8.778 679 H PHE 85 H PHE 85 6.842 12.395 -9.503 680 HA PHE 85 HA PHE 85 5.748 12.928 -12.210 681 1HB PHE 85 2HB PHE 85 4.674 10.534 -10.576 682 2HB PHE 85 1HB PHE 85 3.914 11.137 -12.029 683 HD1 PHE 85 HD1 PHE 85 6.973 9.535 -10.688 684 HD2 PHE 85 HD2 PHE 85 4.800 10.580 -14.219 685 HE1 PHE 85 HE1 PHE 85 8.687 8.496 -12.034 686 HE2 PHE 85 HE2 PHE 85 6.425 9.322 -15.577 687 HZ PHE 85 HZ PHE 85 8.403 8.285 -14.501 688 HA PRO 86 HA PRO 86 3.389 15.814 -9.802 689 1HB PRO 86 2HB PRO 86 1.167 16.240 -11.426 690 2HB PRO 86 1HB PRO 86 2.779 16.873 -11.731 691 1HG PRO 86 2HG PRO 86 1.542 14.410 -12.933 692 2HG PRO 86 1HG PRO 86 2.456 15.674 -13.770 693 1HD PRO 86 1HD PRO 86 3.646 13.329 -13.078 694 2HD PRO 86 2HD PRO 86 4.547 14.853 -12.965 695 H THR 87 H THR 87 2.011 12.741 -10.638 696 HA THR 87 HA THR 87 0.672 12.574 -8.121 697 HB THR 87 HB THR 87 -1.066 13.762 -9.240 698 HG1 THR 87 HG1 THR 87 -2.057 10.993 -8.818 699 1HG2 THR 87 1HG2 THR 87 -0.858 11.895 -11.605 700 2HG2 THR 87 3HG2 THR 87 -2.175 13.066 -11.323 701 3HG2 THR 87 2HG2 THR 87 -0.516 13.591 -11.441 702 H LEU 88 H LEU 88 -0.585 10.279 -8.094 703 HA LEU 88 HA LEU 88 1.201 8.366 -9.134 704 1HB LEU 88 2HB LEU 88 -1.689 7.995 -8.148 705 2HB LEU 88 1HB LEU 88 -0.898 6.756 -8.990 706 HG LEU 88 HG LEU 88 -0.944 6.404 -6.729 707 1HD1 LEU 88 1HD1 LEU 88 1.020 5.695 -8.116 708 2HD1 LEU 88 3HD1 LEU 88 1.997 6.910 -7.305 709 3HD1 LEU 88 2HD1 LEU 88 1.151 5.635 -6.373 710 1HD2 LEU 88 2HD2 LEU 88 -0.783 8.704 -5.811 711 2HD2 LEU 88 1HD2 LEU 88 0.254 7.414 -5.100 712 3HD2 LEU 88 3HD2 LEU 88 0.970 8.578 -6.219 713 H GLN 89 H GLN 89 -1.643 10.026 -10.698 714 HA GLN 89 HA GLN 89 -1.970 7.663 -12.456 715 1HB GLN 89 2HB GLN 89 -3.439 8.787 -13.953 716 2HB GLN 89 1HB GLN 89 -3.934 8.559 -12.321 717 1HG GLN 89 2HG GLN 89 -4.712 10.670 -12.938 718 2HG GLN 89 1HG GLN 89 -3.421 10.849 -11.785 719 1HE2 GLN 89 2HE2 GLN 89 -1.950 11.588 -15.557 720 2HE2 GLN 89 1HE2 GLN 89 -2.382 10.012 -15.017 721 H ALA 90 H ALA 90 -0.140 10.596 -12.763 722 HA ALA 90 HA ALA 90 0.566 10.074 -15.496 723 1HB ALA 90 2HB ALA 90 0.856 12.338 -14.460 724 2HB ALA 90 1HB ALA 90 2.090 11.711 -13.374 725 3HB ALA 90 3HB ALA 90 2.406 11.809 -15.109 726 H LEU 91 H LEU 91 1.426 8.528 -12.700 727 HA LEU 91 HA LEU 91 3.905 7.327 -13.632 728 1HB LEU 91 2HB LEU 91 4.176 8.029 -11.498 729 2HB LEU 91 1HB LEU 91 2.535 8.026 -11.072 730 HG LEU 91 HG LEU 91 4.101 5.421 -11.194 731 1HD1 LEU 91 2HD1 LEU 91 3.780 7.323 -8.827 732 2HD1 LEU 91 1HD1 LEU 91 4.490 5.719 -8.743 733 3HD1 LEU 91 3HD1 LEU 91 5.303 7.003 -9.634 734 1HD2 LEU 91 1HD2 LEU 91 1.481 6.264 -9.978 735 2HD2 LEU 91 3HD2 LEU 91 1.859 4.925 -11.077 736 3HD2 LEU 91 2HD2 LEU 91 2.424 4.835 -9.436 737 H VAL 92 H VAL 92 0.448 6.577 -12.905 738 HA VAL 92 HA VAL 92 0.745 3.827 -13.545 739 HB VAL 92 HB VAL 92 -1.946 5.233 -13.399 740 1HG1 VAL 92 3HG1 VAL 92 -1.804 2.740 -13.661 741 2HG1 VAL 92 2HG1 VAL 92 -1.001 2.710 -12.034 742 3HG1 VAL 92 1HG1 VAL 92 -2.647 3.289 -12.216 743 1HG2 VAL 92 2HG2 VAL 92 -0.088 5.251 -11.076 744 2HG2 VAL 92 1HG2 VAL 92 -1.598 6.113 -11.306 745 3HG2 VAL 92 3HG2 VAL 92 -1.581 4.507 -10.721 746 H GLN 93 H GLN 93 0.715 6.569 -15.396 747 HA GLN 93 HA GLN 93 -0.952 5.661 -17.627 748 1HB GLN 93 2HB GLN 93 -1.016 7.788 -18.451 749 2HB GLN 93 1HB GLN 93 -0.890 8.154 -16.765 750 1HG GLN 93 2HG GLN 93 1.586 8.561 -17.081 751 2HG GLN 93 1HG GLN 93 1.383 8.278 -18.800 752 1HE2 GLN 93 2HE2 GLN 93 1.315 11.752 -18.873 753 2HE2 GLN 93 1HE2 GLN 93 2.307 10.345 -19.003 754 H HIS 94 H HIS 94 2.210 6.738 -16.697 755 HA HIS 94 HA HIS 94 3.711 6.340 -18.995 756 1HB HIS 94 2HB HIS 94 4.407 7.708 -17.032 757 2HB HIS 94 1HB HIS 94 4.474 6.295 -16.006 758 HD1 HIS 94 HD1 HIS 94 6.975 6.797 -15.552 759 HD2 HIS 94 HD2 HIS 94 6.128 5.975 -19.580 760 HE1 HIS 94 HE1 HIS 94 9.179 6.395 -16.686 761 H TYR 95 H TYR 95 3.152 4.261 -16.155 762 HA TYR 95 HA TYR 95 4.694 2.106 -17.326 763 1HB TYR 95 2HB TYR 95 2.844 1.959 -14.934 764 2HB TYR 95 1HB TYR 95 4.070 0.773 -15.366 765 HD1 TYR 95 HD1 TYR 95 6.136 3.149 -16.216 766 HD2 TYR 95 HD2 TYR 95 3.855 2.194 -12.709 767 HE1 TYR 95 HE1 TYR 95 7.588 4.475 -14.981 768 HE2 TYR 95 HE2 TYR 95 5.244 3.562 -11.411 769 HH TYR 95 HH TYR 95 6.819 6.064 -12.462 770 H SER 96 H SER 96 1.353 3.080 -17.640 771 HA SER 96 HA SER 96 0.441 0.475 -18.404 772 1HB SER 96 2HB SER 96 -0.459 3.125 -19.770 773 2HB SER 96 1HB SER 96 -1.278 1.659 -19.865 774 HG SER 96 HG SER 96 -1.368 2.599 -17.025 775 H LYS 97 H LYS 97 2.353 2.735 -20.276 776 HA LYS 97 HA LYS 97 2.470 0.556 -22.342 777 1HB LYS 97 2HB LYS 97 2.804 3.630 -22.531 778 2HB LYS 97 1HB LYS 97 3.373 2.598 -23.803 779 1HG LYS 97 2HG LYS 97 1.242 3.468 -24.427 780 2HG LYS 97 1HG LYS 97 1.093 1.742 -24.210 781 1HD LYS 97 2HD LYS 97 -0.086 2.005 -22.142 782 2HD LYS 97 1HD LYS 97 0.346 3.699 -22.002 783 1HE LYS 97 1HE LYS 97 -1.974 3.605 -22.684 784 2HE LYS 97 2HE LYS 97 -1.070 4.116 -24.108 785 1HZ LYS 97 3HZ LYS 97 -1.084 1.841 -24.856 786 2HZ LYS 97 2HZ LYS 97 -1.998 1.385 -23.505 787 3HZ LYS 97 1HZ LYS 97 -2.655 2.459 -24.645 788 H LYS 98 H LYS 98 4.481 2.175 -19.989 789 HA LYS 98 HA LYS 98 6.483 0.292 -20.774 790 1HB LYS 98 2HB LYS 98 6.503 2.540 -22.296 791 2HB LYS 98 1HB LYS 98 7.137 3.346 -20.903 792 1HG LYS 98 2HG LYS 98 8.383 0.778 -21.784 793 2HG LYS 98 1HG LYS 98 8.647 2.182 -22.786 794 1HD LYS 98 2HD LYS 98 9.732 3.407 -21.032 795 2HD LYS 98 1HD LYS 98 9.148 2.317 -19.801 796 1HE LYS 98 1HE LYS 98 10.580 0.555 -20.442 797 2HE LYS 98 2HE LYS 98 10.973 1.287 -21.995 798 1HZ LYS 98 2HZ LYS 98 11.752 2.455 -19.404 799 2HZ LYS 98 1HZ LYS 98 12.760 1.518 -20.405 800 3HZ LYS 98 3HZ LYS 98 12.159 3.012 -20.934 801 H GLY 99 H GLY 99 6.714 -0.480 -18.915 802 1HA GLY 99 2HA GLY 99 6.174 0.464 -16.380 803 2HA GLY 99 1HA GLY 99 7.310 -0.877 -16.755 804 H ASP 100 H ASP 100 9.019 0.706 -18.221 805 HA ASP 100 HA ASP 100 11.044 1.716 -17.983 806 1HB ASP 100 2HB ASP 100 9.384 3.646 -18.112 807 2HB ASP 100 1HB ASP 100 9.469 3.803 -16.374 808 H GLY 101 H GLY 101 11.385 -0.128 -16.647 809 1HA GLY 101 2HA GLY 101 13.137 -0.790 -15.130 810 2HA GLY 101 1HA GLY 101 12.998 0.785 -14.291 811 H LEU 102 H LEU 102 9.889 -0.236 -14.524 812 HA LEU 102 HA LEU 102 9.774 -1.140 -11.781 813 1HB LEU 102 2HB LEU 102 7.790 -0.807 -14.082 814 2HB LEU 102 1HB LEU 102 7.284 -1.768 -12.785 815 HG LEU 102 HG LEU 102 7.582 1.170 -12.913 816 1HD1 LEU 102 3HD1 LEU 102 5.838 -0.754 -11.331 817 2HD1 LEU 102 2HD1 LEU 102 5.610 0.981 -11.362 818 3HD1 LEU 102 1HD1 LEU 102 5.407 0.047 -12.850 819 1HD2 LEU 102 2HD2 LEU 102 8.193 -0.267 -10.282 820 2HD2 LEU 102 1HD2 LEU 102 9.222 0.918 -11.107 821 3HD2 LEU 102 3HD2 LEU 102 7.678 1.412 -10.421 822 H CYS 103 H CYS 103 10.616 -2.699 -14.613 823 HA CYS 103 HA CYS 103 11.074 -4.717 -15.226 824 1HB CYS 103 2HB CYS 103 11.641 -6.437 -13.701 825 2HB CYS 103 1HB CYS 103 12.090 -4.936 -12.947 826 HG CYS 103 HG CYS 103 10.081 -4.971 -10.999 827 H GLN 104 H GLN 104 8.094 -3.748 -14.557 828 HA GLN 104 HA GLN 104 6.740 -5.704 -16.019 829 1HB GLN 104 2HB GLN 104 6.033 -5.328 -13.023 830 2HB GLN 104 1HB GLN 104 5.057 -6.258 -14.132 831 1HG GLN 104 2HG GLN 104 7.794 -6.972 -12.957 832 2HG GLN 104 1HG GLN 104 6.243 -7.662 -12.582 833 1HE2 GLN 104 2HE2 GLN 104 8.079 -10.006 -14.785 834 2HE2 GLN 104 1HE2 GLN 104 8.339 -9.256 -13.252 835 H LYS 105 H LYS 105 5.780 -4.441 -17.169 836 HA LYS 105 HA LYS 105 4.812 -1.849 -16.293 837 1HB LYS 105 2HB LYS 105 4.936 -1.259 -18.543 838 2HB LYS 105 1HB LYS 105 6.303 -2.339 -18.186 839 1HG LYS 105 2HG LYS 105 5.559 -2.831 -20.374 840 2HG LYS 105 1HG LYS 105 4.988 -4.184 -19.382 841 1HD LYS 105 2HD LYS 105 3.064 -3.701 -20.609 842 2HD LYS 105 1HD LYS 105 2.851 -2.515 -19.323 843 1HE LYS 105 1HE LYS 105 2.529 -1.372 -21.279 844 2HE LYS 105 2HE LYS 105 4.131 -0.897 -20.641 845 1HZ LYS 105 1HZ LYS 105 3.611 -2.827 -22.837 846 2HZ LYS 105 3HZ LYS 105 4.135 -1.216 -23.026 847 3HZ LYS 105 2HZ LYS 105 5.130 -2.344 -22.256 848 H LEU 106 H LEU 106 2.790 -1.154 -16.727 849 HA LEU 106 HA LEU 106 0.921 -2.933 -15.643 850 1HB LEU 106 2HB LEU 106 -0.393 -0.512 -16.825 851 2HB LEU 106 1HB LEU 106 -0.760 -1.409 -15.422 852 HG LEU 106 HG LEU 106 1.244 0.769 -15.779 853 1HD1 LEU 106 3HD1 LEU 106 -1.225 0.672 -14.493 854 2HD1 LEU 106 2HD1 LEU 106 -0.159 0.327 -13.171 855 3HD1 LEU 106 1HD1 LEU 106 0.109 1.790 -14.063 856 1HD2 LEU 106 3HD2 LEU 106 1.327 -1.368 -13.722 857 2HD2 LEU 106 2HD2 LEU 106 2.732 -1.006 -14.685 858 3HD2 LEU 106 1HD2 LEU 106 2.201 0.163 -13.521 859 H THR 107 H THR 107 -1.189 -3.475 -16.228 860 HA THR 107 HA THR 107 -1.780 -3.604 -19.104 861 HB THR 107 HB THR 107 -2.117 -5.869 -19.284 862 HG1 THR 107 HG1 THR 107 -2.115 -6.401 -16.383 863 1HG2 THR 107 2HG2 THR 107 0.116 -5.155 -19.633 864 2HG2 THR 107 1HG2 THR 107 0.616 -5.390 -18.013 865 3HG2 THR 107 3HG2 THR 107 0.171 -6.795 -18.970 866 H LEU 108 H LEU 108 -3.053 -5.208 -16.229 867 HA LEU 108 HA LEU 108 -5.545 -3.563 -16.616 868 1HB LEU 108 2HB LEU 108 -5.607 -6.504 -15.982 869 2HB LEU 108 1HB LEU 108 -6.966 -5.525 -16.353 870 HG LEU 108 HG LEU 108 -4.777 -6.057 -18.389 871 1HD1 LEU 108 2HD1 LEU 108 -5.650 -8.208 -17.677 872 2HD1 LEU 108 1HD1 LEU 108 -7.304 -7.671 -17.984 873 3HD1 LEU 108 3HD1 LEU 108 -6.162 -7.837 -19.321 874 1HD2 LEU 108 1HD2 LEU 108 -6.289 -4.100 -18.844 875 2HD2 LEU 108 3HD2 LEU 108 -6.497 -5.387 -20.026 876 3HD2 LEU 108 2HD2 LEU 108 -7.681 -5.170 -18.736 877 HA PRO 109 HA PRO 109 -4.608 -3.431 -12.170 878 1HB PRO 109 2HB PRO 109 -6.289 -1.424 -11.417 879 2HB PRO 109 1HB PRO 109 -4.847 -1.157 -12.380 880 1HG PRO 109 2HG PRO 109 -7.659 -1.348 -13.395 881 2HG PRO 109 1HG PRO 109 -6.435 -0.158 -13.851 882 1HD PRO 109 1HD PRO 109 -6.946 -2.488 -15.371 883 2HD PRO 109 2HD PRO 109 -5.368 -1.673 -15.362 884 H CYS 110 H CYS 110 -5.137 -5.052 -11.351 885 HA CYS 110 HA CYS 110 -6.224 -7.061 -11.049 886 1HB CYS 110 2HB CYS 110 -5.232 -5.790 -9.092 887 2HB CYS 110 1HB CYS 110 -6.855 -5.536 -8.517 888 HG CYS 110 HG CYS 110 -5.289 -7.869 -7.421 889 H VAL 111 H VAL 111 -8.302 -7.142 -8.877 890 HA VAL 111 HA VAL 111 -10.832 -6.699 -10.300 891 HB VAL 111 HB VAL 111 -11.367 -9.214 -9.684 892 1HG1 VAL 111 3HG1 VAL 111 -11.357 -8.390 -11.997 893 2HG1 VAL 111 2HG1 VAL 111 -9.624 -8.649 -12.107 894 3HG1 VAL 111 1HG1 VAL 111 -10.701 -10.020 -11.890 895 1HG2 VAL 111 1HG2 VAL 111 -9.152 -9.582 -8.459 896 2HG2 VAL 111 3HG2 VAL 111 -9.498 -10.774 -9.694 897 3HG2 VAL 111 2HG2 VAL 111 -8.334 -9.511 -10.014 898 H ASN 112 H ASN 112 -12.561 -6.839 -8.989 899 HA ASN 112 HA ASN 112 -12.559 -5.664 -6.549 900 1HB ASN 112 2HB ASN 112 -14.634 -7.683 -7.554 901 2HB ASN 112 1HB ASN 112 -14.929 -6.466 -6.320 902 1HD2 ASN 112 2HD2 ASN 112 -15.164 -3.717 -8.488 903 2HD2 ASN 112 1HD2 ASN 112 -14.933 -4.243 -6.859 904 H LEU 113 H LEU 113 -12.652 -9.188 -7.082 905 HA LEU 113 HA LEU 113 -11.816 -9.601 -4.262 906 1HB LEU 113 2HB LEU 113 -13.094 -11.837 -4.408 907 2HB LEU 113 1HB LEU 113 -14.008 -10.380 -4.227 908 HG LEU 113 HG LEU 113 -14.553 -10.379 -6.663 909 1HD1 LEU 113 2HD1 LEU 113 -13.050 -13.035 -6.696 910 2HD1 LEU 113 1HD1 LEU 113 -14.208 -12.554 -7.933 911 3HD1 LEU 113 3HD1 LEU 113 -12.752 -11.617 -7.709 912 1HD2 LEU 113 1HD2 LEU 113 -16.093 -11.377 -4.994 913 2HD2 LEU 113 3HD2 LEU 113 -16.184 -12.229 -6.528 914 3HD2 LEU 113 2HD2 LEU 113 -15.300 -12.940 -5.181 915 H ALA 114 HN ALA 114 -10.580 -11.455 -3.808 916 HA ALA 114 HA ALA 114 -8.582 -11.856 -5.943 917 1HB ALA 114 1HB ALA 114 -7.828 -11.147 -3.656 918 2HB ALA 114 3HB ALA 114 -8.498 -12.623 -2.973 919 3HB ALA 114 2HB ALA 114 -7.141 -12.708 -4.095 No H/Q in entry = 919 Start of MODEL 16 1 1H GLY 1 3H GLY 1 -26.370 16.410 -22.137 2 2H GLY 1 2H GLY 1 -25.287 16.647 -20.847 3 3H GLY 1 1H GLY 1 -24.713 16.592 -22.441 4 1HA GLY 1 2HA GLY 1 -25.343 14.337 -22.670 5 2HA GLY 1 1HA GLY 1 -24.225 14.578 -21.281 6 H SER 2 H SER 2 -25.143 14.750 -19.176 7 HA SER 2 HA SER 2 -26.420 14.095 -17.450 8 1HB SER 2 2HB SER 2 -28.889 13.323 -19.060 9 2HB SER 2 1HB SER 2 -28.756 14.106 -17.577 10 HG SER 2 HG SER 2 -27.869 15.980 -19.761 11 H VAL 3 H VAL 3 -24.701 12.426 -18.711 12 HA VAL 3 HA VAL 3 -25.874 9.730 -18.203 13 HB VAL 3 HB VAL 3 -24.268 8.857 -19.863 14 1HG1 VAL 3 1HG1 VAL 3 -26.574 9.450 -20.575 15 2HG1 VAL 3 3HG1 VAL 3 -26.020 11.050 -21.057 16 3HG1 VAL 3 2HG1 VAL 3 -25.411 9.624 -21.885 17 1HG2 VAL 3 2HG2 VAL 3 -23.558 11.786 -20.461 18 2HG2 VAL 3 1HG2 VAL 3 -22.466 10.577 -19.783 19 3HG2 VAL 3 3HG2 VAL 3 -23.061 10.398 -21.419 20 H ALA 4 H ALA 4 -23.160 11.917 -17.797 21 HA ALA 4 HA ALA 4 -22.167 10.253 -15.547 22 1HB ALA 4 3HB ALA 4 -20.519 11.319 -17.901 23 2HB ALA 4 2HB ALA 4 -19.808 10.699 -16.416 24 3HB ALA 4 1HB ALA 4 -20.758 9.634 -17.447 25 HA PRO 5 HA PRO 5 -22.427 14.713 -14.392 26 1HB PRO 5 2HB PRO 5 -23.421 14.399 -11.847 27 2HB PRO 5 1HB PRO 5 -24.428 14.205 -13.275 28 1HG PRO 5 2HG PRO 5 -23.171 12.018 -11.640 29 2HG PRO 5 1HG PRO 5 -24.820 12.081 -12.271 30 1HD PRO 5 1HD PRO 5 -22.767 10.698 -13.518 31 2HD PRO 5 2HD PRO 5 -24.149 11.362 -14.413 32 H VAL 6 H VAL 6 -20.902 11.982 -12.941 33 HA VAL 6 HA VAL 6 -18.435 13.181 -12.464 34 HB VAL 6 HB VAL 6 -19.537 14.377 -10.612 35 1HG1 VAL 6 3HG1 VAL 6 -21.389 12.848 -10.081 36 2HG1 VAL 6 2HG1 VAL 6 -20.263 11.703 -9.359 37 3HG1 VAL 6 1HG1 VAL 6 -20.482 13.292 -8.644 38 1HG2 VAL 6 3HG2 VAL 6 -17.146 13.691 -10.348 39 2HG2 VAL 6 2HG2 VAL 6 -17.992 13.918 -8.824 40 3HG2 VAL 6 1HG2 VAL 6 -17.663 12.297 -9.404 41 H GLU 7 H GLU 7 -19.069 11.134 -13.853 42 HA GLU 7 HA GLU 7 -19.118 8.646 -12.401 43 1HB GLU 7 2HB GLU 7 -20.109 9.004 -14.675 44 2HB GLU 7 1HB GLU 7 -18.510 9.237 -15.342 45 1HG GLU 7 2HG GLU 7 -17.900 6.879 -14.746 46 2HG GLU 7 1HG GLU 7 -19.474 6.651 -14.002 47 H THR 8 H THR 8 -17.550 7.391 -11.725 48 HA THR 8 HA THR 8 -14.943 7.415 -12.900 49 HB THR 8 HB THR 8 -14.594 9.330 -11.437 50 HG1 THR 8 HG1 THR 8 -13.066 7.031 -10.271 51 1HG2 THR 8 1HG2 THR 8 -15.968 7.779 -9.169 52 2HG2 THR 8 3HG2 THR 8 -15.046 9.271 -8.935 53 3HG2 THR 8 2HG2 THR 8 -16.427 9.244 -9.986 54 H LEU 9 H LEU 9 -13.582 5.881 -12.285 55 HA LEU 9 HA LEU 9 -14.270 3.875 -10.300 56 1HB LEU 9 2HB LEU 9 -14.292 2.015 -12.137 57 2HB LEU 9 1HB LEU 9 -15.718 2.950 -11.853 58 HG LEU 9 HG LEU 9 -15.272 4.360 -13.829 59 1HD1 LEU 9 3HD1 LEU 9 -12.835 2.580 -14.291 60 2HD1 LEU 9 2HD1 LEU 9 -13.503 3.703 -15.470 61 3HD1 LEU 9 1HD1 LEU 9 -12.819 4.319 -13.978 62 1HD2 LEU 9 2HD2 LEU 9 -16.647 2.316 -14.040 63 2HD2 LEU 9 1HD2 LEU 9 -15.757 2.620 -15.526 64 3HD2 LEU 9 3HD2 LEU 9 -15.213 1.365 -14.415 65 H GLU 10 H GLU 10 -12.312 5.508 -10.225 66 HA GLU 10 HA GLU 10 -9.930 3.849 -10.804 67 1HB GLU 10 2HB GLU 10 -10.260 5.804 -12.490 68 2HB GLU 10 1HB GLU 10 -9.848 6.885 -11.184 69 1HG GLU 10 2HG GLU 10 -7.669 5.637 -10.852 70 2HG GLU 10 1HG GLU 10 -8.105 4.578 -12.176 71 H VAL 11 H VAL 11 -11.224 3.674 -8.637 72 HA VAL 11 HA VAL 11 -9.379 4.670 -6.580 73 HB VAL 11 HB VAL 11 -11.328 5.207 -5.064 74 1HG1 VAL 11 1HG1 VAL 11 -10.098 7.033 -6.153 75 2HG1 VAL 11 3HG1 VAL 11 -11.206 7.000 -7.513 76 3HG1 VAL 11 2HG1 VAL 11 -11.798 7.437 -5.922 77 1HG2 VAL 11 2HG2 VAL 11 -13.024 5.010 -7.612 78 2HG2 VAL 11 1HG2 VAL 11 -13.142 3.964 -6.205 79 3HG2 VAL 11 3HG2 VAL 11 -13.570 5.665 -6.080 80 H GLU 12 H GLU 12 -10.039 2.181 -8.071 81 HA GLU 12 HA GLU 12 -10.889 0.378 -5.858 82 1HB GLU 12 2HB GLU 12 -10.910 -0.158 -8.839 83 2HB GLU 12 1HB GLU 12 -11.306 -1.282 -7.572 84 1HG GLU 12 2HG GLU 12 -13.428 -0.605 -7.980 85 2HG GLU 12 1HG GLU 12 -13.044 0.618 -6.797 86 H LYS 13 H LYS 13 -9.488 -1.368 -8.014 87 HA LYS 13 HA LYS 13 -7.637 -2.479 -6.304 88 1HB LYS 13 2HB LYS 13 -7.943 -2.649 -9.316 89 2HB LYS 13 1HB LYS 13 -7.018 -3.774 -8.342 90 1HG LYS 13 2HG LYS 13 -9.999 -3.201 -7.824 91 2HG LYS 13 1HG LYS 13 -9.439 -4.456 -8.911 92 1HD LYS 13 2HD LYS 13 -8.187 -5.529 -7.003 93 2HD LYS 13 1HD LYS 13 -8.777 -4.291 -5.945 94 1HE LYS 13 1HE LYS 13 -11.146 -4.983 -6.472 95 2HE LYS 13 2HE LYS 13 -10.491 -6.308 -7.445 96 1HZ LYS 13 3HZ LYS 13 -10.054 -5.896 -4.570 97 2HZ LYS 13 2HZ LYS 13 -11.135 -6.998 -5.280 98 3HZ LYS 13 1HZ LYS 13 -9.446 -7.172 -5.500 99 H TRP 14 H TRP 14 -7.110 -0.001 -8.885 100 HA TRP 14 HA TRP 14 -4.228 -0.435 -8.383 101 1HB TRP 14 2HB TRP 14 -3.417 0.812 -9.975 102 2HB TRP 14 1HB TRP 14 -4.857 0.187 -10.677 103 HD1 TRP 14 HD1 TRP 14 -6.132 1.849 -12.105 104 HE1 TRP 14 HE1 TRP 14 -5.985 4.344 -12.548 105 HE3 TRP 14 HE3 TRP 14 -3.075 3.257 -8.221 106 HZ2 TRP 14 HZ2 TRP 14 -4.611 6.619 -11.437 107 HZ3 TRP 14 HZ3 TRP 14 -2.486 5.630 -7.941 108 HH2 TRP 14 HH2 TRP 14 -3.305 7.324 -9.627 109 H PHE 15 H PHE 15 -6.767 1.820 -7.476 110 HA PHE 15 HA PHE 15 -4.829 3.025 -5.556 111 1HB PHE 15 2HB PHE 15 -5.621 4.532 -7.489 112 2HB PHE 15 1HB PHE 15 -7.204 4.503 -6.786 113 HD1 PHE 15 HD2 PHE 15 -3.634 4.988 -5.746 114 HD2 PHE 15 HD1 PHE 15 -7.710 6.209 -5.258 115 HE1 PHE 15 HE2 PHE 15 -2.935 6.729 -4.133 116 HE2 PHE 15 HE1 PHE 15 -6.998 7.958 -3.670 117 HZ PHE 15 HZ PHE 15 -4.608 8.216 -3.109 118 H PHE 16 H PHE 16 -5.331 1.399 -4.149 119 HA PHE 16 HA PHE 16 -7.964 1.568 -2.786 120 1HB PHE 16 2HB PHE 16 -5.505 -0.315 -2.661 121 2HB PHE 16 1HB PHE 16 -6.416 -0.196 -1.219 122 HD1 PHE 16 HD2 PHE 16 -9.239 -0.007 -2.981 123 HD2 PHE 16 HD1 PHE 16 -5.872 -2.645 -2.627 124 HE1 PHE 16 HE2 PHE 16 -10.638 -1.865 -3.642 125 HE2 PHE 16 HE1 PHE 16 -7.296 -4.517 -3.315 126 HZ PHE 16 HZ PHE 16 -9.703 -4.137 -3.800 127 H ARG 17 H ARG 17 -7.945 1.769 -0.426 128 HA ARG 17 HA ARG 17 -6.393 4.067 0.310 129 1HB ARG 17 2HB ARG 17 -8.196 2.182 1.878 130 2HB ARG 17 1HB ARG 17 -7.125 3.170 2.808 131 1HG ARG 17 2HG ARG 17 -9.176 4.277 0.854 132 2HG ARG 17 1HG ARG 17 -9.301 4.129 2.608 133 1HD ARG 17 2HD ARG 17 -7.238 5.561 2.874 134 2HD ARG 17 1HD ARG 17 -7.275 5.897 1.135 135 HE ARG 17 HE ARG 17 -9.812 6.502 1.996 136 1HH1 ARG 17 1HH2 ARG 17 -6.534 7.446 2.899 137 2HH1 ARG 17 2HH2 ARG 17 -6.978 9.034 3.420 138 1HH2 ARG 17 2HH1 ARG 17 -10.379 8.609 2.681 139 2HH2 ARG 17 1HH1 ARG 17 -9.177 9.698 3.288 140 H THR 18 H THR 18 -6.396 1.050 2.129 141 HA THR 18 HA THR 18 -3.610 0.553 1.829 142 HB THR 18 HB THR 18 -2.982 1.944 3.576 143 HG1 THR 18 HG1 THR 18 -3.688 -0.505 5.072 144 1HG2 THR 18 2HG2 THR 18 -5.826 1.891 4.764 145 2HG2 THR 18 1HG2 THR 18 -4.431 2.791 5.405 146 3HG2 THR 18 3HG2 THR 18 -5.069 3.130 3.822 147 H ILE 19 H ILE 19 -4.390 -1.342 1.129 148 HA ILE 19 HA ILE 19 -5.959 -3.019 2.987 149 HB ILE 19 HB ILE 19 -6.019 -2.997 0.385 150 1HG1 ILE 19 1HG1 ILE 19 -5.782 -5.579 1.809 151 2HG1 ILE 19 2HG1 ILE 19 -7.221 -4.683 1.498 152 1HG2 ILE 19 2HG2 ILE 19 -3.499 -3.021 0.141 153 2HG2 ILE 19 1HG2 ILE 19 -3.622 -4.764 0.462 154 3HG2 ILE 19 3HG2 ILE 19 -4.449 -4.028 -0.931 155 1HD1 ILE 19 3HD1 ILE 19 -6.897 -4.958 -0.988 156 2HD1 ILE 19 2HD1 ILE 19 -5.469 -5.939 -0.697 157 3HD1 ILE 19 1HD1 ILE 19 -7.064 -6.517 -0.189 158 H SER 20 H SER 20 -4.766 -5.237 3.517 159 HA SER 20 HA SER 20 -2.287 -4.318 4.750 160 1HB SER 20 2HB SER 20 -3.610 -6.177 5.831 161 2HB SER 20 1HB SER 20 -3.450 -7.122 4.444 162 HG SER 20 HG SER 20 -0.722 -6.864 5.612 163 H ARG 21 H ARG 21 -0.247 -5.051 4.314 164 HA ARG 21 HA ARG 21 0.711 -4.903 1.775 165 1HB ARG 21 2HB ARG 21 2.020 -4.875 3.989 166 2HB ARG 21 1HB ARG 21 2.107 -6.608 3.924 167 1HG ARG 21 2HG ARG 21 3.376 -6.548 1.845 168 2HG ARG 21 1HG ARG 21 3.164 -4.828 1.681 169 1HD ARG 21 2HD ARG 21 4.652 -6.139 4.013 170 2HD ARG 21 1HD ARG 21 5.436 -5.420 2.589 171 HE ARG 21 HE ARG 21 3.666 -3.551 3.832 172 1HH1 ARG 21 1HH2 ARG 21 6.782 -5.159 4.278 173 2HH1 ARG 21 2HH2 ARG 21 7.431 -3.899 5.271 174 1HH2 ARG 21 2HH1 ARG 21 4.569 -1.904 5.148 175 2HH2 ARG 21 1HH1 ARG 21 6.181 -2.059 5.753 176 H LYS 22 H LYS 22 0.051 -7.973 3.504 177 HA LYS 22 HA LYS 22 0.698 -9.525 1.142 178 1HB LYS 22 2HB LYS 22 -0.126 -11.467 2.313 179 2HB LYS 22 1HB LYS 22 1.059 -10.601 3.242 180 1HG LYS 22 2HG LYS 22 -1.216 -11.709 4.164 181 2HG LYS 22 1HG LYS 22 -0.406 -10.366 4.991 182 1HD LYS 22 2HD LYS 22 -2.065 -8.945 3.738 183 2HD LYS 22 1HD LYS 22 -2.830 -10.427 3.219 184 1HE LYS 22 1HE LYS 22 -2.371 -9.969 6.197 185 2HE LYS 22 2HE LYS 22 -3.662 -9.086 5.403 186 1HZ LYS 22 3HZ LYS 22 -4.599 -11.083 4.636 187 2HZ LYS 22 2HZ LYS 22 -3.394 -12.011 5.405 188 3HZ LYS 22 1HZ LYS 22 -4.466 -11.069 6.329 189 H ASP 23 H ASP 23 -2.074 -7.866 2.117 190 HA ASP 23 HA ASP 23 -3.869 -9.735 1.042 191 1HB ASP 23 2HB ASP 23 -4.255 -6.835 1.936 192 2HB ASP 23 1HB ASP 23 -5.539 -7.584 1.069 193 H ALA 24 H ALA 24 -2.490 -6.794 0.115 194 HA ALA 24 HA ALA 24 -3.734 -6.262 -2.439 195 1HB ALA 24 3HB ALA 24 -1.031 -5.484 -1.184 196 2HB ALA 24 2HB ALA 24 -1.497 -4.917 -2.793 197 3HB ALA 24 1HB ALA 24 -2.477 -4.512 -1.415 198 H GLU 25 H GLU 25 -1.052 -8.142 -1.356 199 HA GLU 25 HA GLU 25 -0.052 -8.868 -3.954 200 1HB GLU 25 2HB GLU 25 0.519 -9.891 -1.123 201 2HB GLU 25 1HB GLU 25 1.377 -10.472 -2.522 202 1HG GLU 25 2HG GLU 25 2.223 -8.166 -3.001 203 2HG GLU 25 1HG GLU 25 1.358 -7.523 -1.651 204 H ARG 26 H ARG 26 -2.479 -10.048 -1.655 205 HA ARG 26 HA ARG 26 -2.510 -12.746 -2.608 206 1HB ARG 26 2HB ARG 26 -4.304 -13.110 -1.159 207 2HB ARG 26 1HB ARG 26 -3.629 -11.684 -0.457 208 1HG ARG 26 2HG ARG 26 -5.592 -10.533 -2.093 209 2HG ARG 26 1HG ARG 26 -6.228 -12.104 -1.841 210 1HD ARG 26 2HD ARG 26 -5.903 -11.561 0.747 211 2HD ARG 26 1HD ARG 26 -5.813 -9.878 0.166 212 HE ARG 26 HE ARG 26 -8.009 -11.095 -1.087 213 1HH1 ARG 26 1HH2 ARG 26 -6.941 -10.172 2.157 214 2HH1 ARG 26 2HH2 ARG 26 -8.546 -9.903 2.735 215 1HH2 ARG 26 2HH1 ARG 26 -10.107 -10.719 -0.278 216 2HH2 ARG 26 1HH1 ARG 26 -10.333 -10.225 1.364 217 H GLN 27 H GLN 27 -4.001 -9.782 -3.433 218 HA GLN 27 HA GLN 27 -5.939 -10.825 -5.300 219 1HB GLN 27 2HB GLN 27 -4.845 -7.968 -5.092 220 2HB GLN 27 1HB GLN 27 -6.230 -8.460 -6.037 221 1HG GLN 27 2HG GLN 27 -7.260 -9.370 -3.833 222 2HG GLN 27 1HG GLN 27 -5.976 -8.515 -3.000 223 1HE2 GLN 27 2HE2 GLN 27 -8.814 -6.288 -2.825 224 2HE2 GLN 27 1HE2 GLN 27 -8.224 -7.785 -2.191 225 H LEU 28 H LEU 28 -2.621 -9.492 -5.695 226 HA LEU 28 HA LEU 28 -2.850 -9.613 -8.532 227 1HB LEU 28 2HB LEU 28 -0.365 -9.343 -6.822 228 2HB LEU 28 1HB LEU 28 -0.422 -9.049 -8.559 229 HG LEU 28 HG LEU 28 -2.192 -7.591 -6.601 230 1HD1 LEU 28 2HD1 LEU 28 0.231 -7.144 -6.261 231 2HD1 LEU 28 1HD1 LEU 28 0.365 -6.664 -7.952 232 3HD1 LEU 28 3HD1 LEU 28 -0.654 -5.721 -6.845 233 1HD2 LEU 28 3HD2 LEU 28 -1.770 -7.520 -9.576 234 2HD2 LEU 28 2HD2 LEU 28 -3.284 -7.487 -8.702 235 3HD2 LEU 28 1HD2 LEU 28 -2.284 -6.047 -8.750 236 H LEU 29 H LEU 29 -1.333 -11.760 -6.089 237 HA LEU 29 HA LEU 29 -0.232 -13.672 -7.782 238 1HB LEU 29 2HB LEU 29 -1.365 -13.849 -4.977 239 2HB LEU 29 1HB LEU 29 -0.446 -15.141 -5.696 240 HG LEU 29 HG LEU 29 0.659 -12.304 -5.461 241 1HD1 LEU 29 3HD1 LEU 29 0.033 -13.166 -3.232 242 2HD1 LEU 29 2HD1 LEU 29 1.041 -14.588 -3.488 243 3HD1 LEU 29 1HD1 LEU 29 1.776 -12.980 -3.408 244 1HD2 LEU 29 2HD2 LEU 29 1.848 -15.007 -6.280 245 2HD2 LEU 29 1HD2 LEU 29 2.070 -13.393 -6.962 246 3HD2 LEU 29 3HD2 LEU 29 2.852 -13.811 -5.460 247 H ALA 30 H ALA 30 -3.560 -12.969 -7.251 248 HA ALA 30 HA ALA 30 -4.707 -15.536 -7.434 249 1HB ALA 30 1HB ALA 30 -5.979 -13.418 -6.861 250 2HB ALA 30 3HB ALA 30 -5.817 -12.875 -8.532 251 3HB ALA 30 2HB ALA 30 -6.764 -14.303 -8.165 252 HA PRO 31 HA PRO 31 -3.861 -16.664 -11.640 253 1HB PRO 31 2HB PRO 31 -5.894 -18.495 -12.108 254 2HB PRO 31 1HB PRO 31 -4.524 -18.788 -11.047 255 1HG PRO 31 2HG PRO 31 -7.260 -17.846 -10.234 256 2HG PRO 31 1HG PRO 31 -6.295 -19.133 -9.482 257 1HD PRO 31 1HD PRO 31 -6.400 -16.643 -8.423 258 2HD PRO 31 2HD PRO 31 -4.889 -17.588 -8.398 259 H MET 32 H MET 32 -6.515 -14.692 -10.798 260 HA MET 32 HA MET 32 -7.956 -14.617 -13.200 261 1HB MET 32 2HB MET 32 -7.566 -12.986 -10.657 262 2HB MET 32 1HB MET 32 -8.569 -12.374 -11.907 263 1HG MET 32 2HG MET 32 -10.112 -13.460 -10.500 264 2HG MET 32 1HG MET 32 -9.880 -14.602 -11.794 265 1HE MET 32 3HE MET 32 -9.046 -13.512 -8.256 266 2HE MET 32 2HE MET 32 -10.496 -14.511 -8.211 267 3HE MET 32 1HE MET 32 -9.011 -15.049 -7.385 268 H ASN 33 H ASN 33 -5.246 -13.016 -11.778 269 HA ASN 33 HA ASN 33 -4.904 -11.186 -14.113 270 1HB ASN 33 2HB ASN 33 -3.776 -10.733 -11.280 271 2HB ASN 33 1HB ASN 33 -3.940 -9.577 -12.590 272 1HD2 ASN 33 2HD2 ASN 33 -6.880 -9.992 -9.946 273 2HD2 ASN 33 1HD2 ASN 33 -5.285 -10.621 -9.736 274 H LYS 34 H LYS 34 -2.605 -10.266 -14.086 275 HA LYS 34 HA LYS 34 -0.491 -12.050 -13.464 276 1HB LYS 34 2HB LYS 34 0.252 -12.302 -15.963 277 2HB LYS 34 1HB LYS 34 -0.963 -13.354 -15.324 278 1HG LYS 34 2HG LYS 34 -1.487 -12.524 -17.585 279 2HG LYS 34 1HG LYS 34 -2.750 -12.208 -16.430 280 1HD LYS 34 2HD LYS 34 -2.173 -9.866 -16.302 281 2HD LYS 34 1HD LYS 34 -0.694 -10.084 -17.216 282 1HE LYS 34 1HE LYS 34 -2.133 -10.844 -19.197 283 2HE LYS 34 2HE LYS 34 -3.554 -10.397 -18.259 284 1HZ LYS 34 2HZ LYS 34 -2.711 -8.172 -18.135 285 2HZ LYS 34 1HZ LYS 34 -1.367 -8.602 -19.066 286 3HZ LYS 34 3HZ LYS 34 -2.923 -8.683 -19.747 287 H ALA 35 H ALA 35 1.591 -11.286 -14.189 288 HA ALA 35 HA ALA 35 2.557 -9.084 -13.398 289 1HB ALA 35 2HB ALA 35 3.919 -10.756 -14.595 290 2HB ALA 35 1HB ALA 35 3.339 -10.167 -16.149 291 3HB ALA 35 3HB ALA 35 4.350 -9.141 -15.127 292 H GLY 36 H GLY 36 2.024 -7.034 -13.380 293 1HA GLY 36 2HA GLY 36 2.054 -5.049 -14.452 294 2HA GLY 36 1HA GLY 36 1.169 -5.652 -15.868 295 H SER 37 H SER 37 -0.596 -7.148 -13.930 296 HA SER 37 HA SER 37 -2.425 -5.250 -13.006 297 1HB SER 37 2HB SER 37 -3.213 -7.239 -11.519 298 2HB SER 37 1HB SER 37 -3.298 -7.544 -13.166 299 HG SER 37 HG SER 37 -0.735 -8.695 -12.430 300 H PHE 38 H PHE 38 -2.296 -3.858 -11.351 301 HA PHE 38 HA PHE 38 -0.288 -4.397 -9.198 302 1HB PHE 38 2HB PHE 38 -1.003 -1.761 -10.697 303 2HB PHE 38 1HB PHE 38 -0.169 -1.734 -9.195 304 HD1 PHE 38 HD1 PHE 38 0.912 -4.203 -11.805 305 HD2 PHE 38 HD2 PHE 38 1.480 -0.371 -10.065 306 HE1 PHE 38 HE1 PHE 38 3.011 -3.923 -12.998 307 HE2 PHE 38 HE2 PHE 38 3.702 -0.214 -11.078 308 HZ PHE 38 HZ PHE 38 4.456 -2.007 -12.615 309 H LEU 39 H LEU 39 -0.528 -2.762 -7.543 310 HA LEU 39 HA LEU 39 -3.116 -1.968 -6.346 311 1HB LEU 39 2HB LEU 39 -0.954 -3.869 -5.389 312 2HB LEU 39 1HB LEU 39 -1.601 -2.853 -4.172 313 HG LEU 39 HG LEU 39 -2.473 -5.191 -4.430 314 1HD1 LEU 39 3HD1 LEU 39 -3.273 -3.239 -3.055 315 2HD1 LEU 39 2HD1 LEU 39 -4.322 -2.780 -4.356 316 3HD1 LEU 39 1HD1 LEU 39 -4.622 -4.322 -3.496 317 1HD2 LEU 39 3HD2 LEU 39 -3.036 -5.286 -6.784 318 2HD2 LEU 39 2HD2 LEU 39 -4.379 -5.614 -5.693 319 3HD2 LEU 39 1HD2 LEU 39 -4.311 -4.055 -6.548 320 H ILE 40 H ILE 40 -2.712 0.265 -5.438 321 HA ILE 40 HA ILE 40 0.194 0.738 -4.723 322 HB ILE 40 HB ILE 40 -1.088 1.947 -6.894 323 1HG1 ILE 40 1HG1 ILE 40 0.710 3.831 -5.303 324 2HG1 ILE 40 2HG1 ILE 40 1.390 2.316 -5.807 325 1HG2 ILE 40 2HG2 ILE 40 -2.675 3.042 -5.275 326 2HG2 ILE 40 1HG2 ILE 40 -1.279 4.053 -4.799 327 3HG2 ILE 40 3HG2 ILE 40 -1.830 4.052 -6.461 328 1HD1 ILE 40 2HD1 ILE 40 0.790 2.750 -8.217 329 2HD1 ILE 40 1HD1 ILE 40 0.060 4.246 -7.794 330 3HD1 ILE 40 3HD1 ILE 40 1.787 4.028 -7.532 331 H ARG 41 H ARG 41 -0.788 -0.383 -2.808 332 HA ARG 41 HA ARG 41 -2.806 0.954 -1.272 333 1HB ARG 41 2HB ARG 41 -2.736 -0.879 0.110 334 2HB ARG 41 1HB ARG 41 -2.365 -1.496 -1.450 335 1HG ARG 41 2HG ARG 41 -0.723 -2.608 -0.367 336 2HG ARG 41 1HG ARG 41 0.198 -1.147 -0.573 337 1HD ARG 41 2HD ARG 41 -1.393 -0.836 1.869 338 2HD ARG 41 1HD ARG 41 -0.650 -2.427 1.911 339 HE ARG 41 HE ARG 41 0.602 0.063 2.313 340 1HH1 ARG 41 1HH2 ARG 41 1.210 -3.042 0.740 341 2HH1 ARG 41 2HH2 ARG 41 2.925 -2.953 0.946 342 1HH2 ARG 41 2HH1 ARG 41 2.871 0.131 2.573 343 2HH2 ARG 41 1HH1 ARG 41 3.855 -1.166 1.984 344 H GLU 42 H GLU 42 -2.598 2.497 0.146 345 HA GLU 42 HA GLU 42 -0.284 3.945 0.541 346 1HB GLU 42 2HB GLU 42 -1.358 5.515 1.809 347 2HB GLU 42 1HB GLU 42 -2.695 4.798 0.963 348 1HG GLU 42 2HG GLU 42 -3.446 3.693 2.844 349 2HG GLU 42 1HG GLU 42 -2.047 3.959 3.849 350 H SER 43 H SER 43 0.760 4.669 2.627 351 HA SER 43 HA SER 43 1.377 2.251 4.221 352 1HB SER 43 2HB SER 43 3.431 3.476 3.555 353 2HB SER 43 1HB SER 43 2.662 4.898 3.586 354 HG SER 43 HG SER 43 3.060 4.010 6.428 355 H GLU 44 H GLU 44 0.264 1.986 6.048 356 HA GLU 44 HA GLU 44 -1.760 3.965 6.726 357 1HB GLU 44 2HB GLU 44 -2.321 2.081 8.482 358 2HB GLU 44 1HB GLU 44 -2.616 1.966 6.782 359 1HG GLU 44 2HG GLU 44 -1.634 -0.157 7.744 360 2HG GLU 44 1HG GLU 44 -0.700 0.483 6.421 361 H SER 45 H SER 45 1.011 4.616 7.182 362 HA SER 45 HA SER 45 0.947 5.825 9.832 363 1HB SER 45 2HB SER 45 3.414 4.696 9.845 364 2HB SER 45 1HB SER 45 2.104 3.789 10.408 365 HG SER 45 HG SER 45 2.245 3.009 7.600 366 H ASN 46 H ASN 46 0.744 6.497 6.932 367 HA ASN 46 HA ASN 46 3.309 7.622 6.168 368 1HB ASN 46 2HB ASN 46 2.409 7.659 4.043 369 2HB ASN 46 1HB ASN 46 1.742 6.265 4.673 370 1HD2 ASN 46 2HD2 ASN 46 -1.603 7.954 5.067 371 2HD2 ASN 46 1HD2 ASN 46 -0.466 7.341 6.206 372 H LYS 47 H LYS 47 3.725 9.560 5.485 373 HA LYS 47 HA LYS 47 1.873 11.689 5.953 374 1HB LYS 47 2HB LYS 47 3.879 13.240 5.871 375 2HB LYS 47 1HB LYS 47 3.661 12.162 7.219 376 1HG LYS 47 2HG LYS 47 5.997 12.123 6.556 377 2HG LYS 47 1HG LYS 47 5.186 10.578 6.389 378 1HD LYS 47 2HD LYS 47 6.581 10.873 4.411 379 2HD LYS 47 1HD LYS 47 4.878 10.936 4.043 380 1HE LYS 47 1HE LYS 47 5.074 13.537 4.058 381 2HE LYS 47 2HE LYS 47 6.795 13.327 4.240 382 1HZ LYS 47 2HZ LYS 47 6.804 12.187 2.110 383 2HZ LYS 47 1HZ LYS 47 5.128 12.503 1.972 384 3HZ LYS 47 3HZ LYS 47 6.226 13.775 2.016 385 H GLY 48 H GLY 48 1.268 10.073 3.978 386 1HA GLY 48 2HA GLY 48 0.135 10.633 2.016 387 2HA GLY 48 1HA GLY 48 1.426 11.821 1.584 388 H ALA 49 H ALA 49 2.279 8.801 2.880 389 HA ALA 49 HA ALA 49 3.684 8.042 0.377 390 1HB ALA 49 3HB ALA 49 4.924 7.925 2.627 391 2HB ALA 49 2HB ALA 49 3.922 6.519 3.044 392 3HB ALA 49 1HB ALA 49 4.989 6.454 1.666 393 H PHE 50 H PHE 50 3.607 6.201 -0.630 394 HA PHE 50 HA PHE 50 1.425 4.325 -0.162 395 1HB PHE 50 2HB PHE 50 1.876 6.004 -2.712 396 2HB PHE 50 1HB PHE 50 1.016 4.520 -2.796 397 HD1 PHE 50 HD2 PHE 50 1.063 7.888 -1.311 398 HD2 PHE 50 HD1 PHE 50 -1.278 4.409 -1.979 399 HE1 PHE 50 HE2 PHE 50 -0.958 9.156 -0.721 400 HE2 PHE 50 HE1 PHE 50 -3.320 5.657 -1.421 401 HZ PHE 50 HZ PHE 50 -3.168 8.051 -0.789 402 H SER 51 H SER 51 1.600 2.397 -1.721 403 HA SER 51 HA SER 51 4.319 1.813 -2.540 404 1HB SER 51 2HB SER 51 3.015 0.003 -0.422 405 2HB SER 51 1HB SER 51 4.627 -0.082 -0.927 406 HG SER 51 HG SER 51 4.319 2.498 0.541 407 H LEU 52 H LEU 52 4.447 0.456 -4.038 408 HA LEU 52 HA LEU 52 1.904 -0.632 -5.067 409 1HB LEU 52 2HB LEU 52 3.445 1.258 -6.073 410 2HB LEU 52 1HB LEU 52 4.611 0.046 -6.431 411 HG LEU 52 HG LEU 52 3.216 -0.870 -8.164 412 1HD1 LEU 52 1HD1 LEU 52 1.053 0.534 -6.716 413 2HD1 LEU 52 3HD1 LEU 52 0.890 0.632 -8.434 414 3HD1 LEU 52 2HD1 LEU 52 1.030 -0.945 -7.664 415 1HD2 LEU 52 1HD2 LEU 52 3.249 2.212 -8.202 416 2HD2 LEU 52 3HD2 LEU 52 4.478 1.111 -8.840 417 3HD2 LEU 52 2HD2 LEU 52 2.902 1.250 -9.606 418 H SER 53 H SER 53 1.551 -2.583 -5.483 419 HA SER 53 HA SER 53 3.565 -4.748 -5.187 420 1HB SER 53 2HB SER 53 0.605 -5.320 -5.085 421 2HB SER 53 1HB SER 53 1.839 -6.075 -4.268 422 HG SER 53 HG SER 53 1.441 -3.405 -2.998 423 H VAL 54 H VAL 54 3.927 -6.019 -6.994 424 HA VAL 54 HA VAL 54 2.009 -5.846 -9.293 425 HB VAL 54 HB VAL 54 5.041 -5.593 -9.783 426 1HG1 VAL 54 3HG1 VAL 54 2.731 -5.648 -11.682 427 2HG1 VAL 54 2HG1 VAL 54 4.399 -5.116 -12.063 428 3HG1 VAL 54 1HG1 VAL 54 4.057 -6.734 -11.566 429 1HG2 VAL 54 2HG2 VAL 54 3.005 -3.400 -9.628 430 2HG2 VAL 54 1HG2 VAL 54 4.408 -3.603 -8.618 431 3HG2 VAL 54 3HG2 VAL 54 4.658 -3.287 -10.309 432 H LYS 55 H LYS 55 1.997 -7.937 -10.564 433 HA LYS 55 HA LYS 55 3.201 -10.055 -9.002 434 1HB LYS 55 2HB LYS 55 1.065 -10.270 -10.140 435 2HB LYS 55 1HB LYS 55 1.900 -10.177 -11.683 436 1HG LYS 55 2HG LYS 55 3.270 -12.228 -10.982 437 2HG LYS 55 1HG LYS 55 2.236 -12.316 -9.577 438 1HD LYS 55 2HD LYS 55 1.226 -12.345 -12.424 439 2HD LYS 55 1HD LYS 55 1.602 -13.814 -11.557 440 1HE LYS 55 1HE LYS 55 0.013 -12.785 -9.716 441 2HE LYS 55 2HE LYS 55 -0.621 -11.825 -11.032 442 1HZ LYS 55 1HZ LYS 55 -0.544 -14.765 -10.867 443 2HZ LYS 55 3HZ LYS 55 -1.890 -13.767 -10.610 444 3HZ LYS 55 2HZ LYS 55 -1.213 -13.871 -12.159 445 H ASP 56 H ASP 56 5.627 -10.260 -9.113 446 HA ASP 56 HA ASP 56 6.647 -10.094 -11.888 447 1HB ASP 56 2HB ASP 56 7.990 -9.214 -10.003 448 2HB ASP 56 1HB ASP 56 8.329 -10.865 -9.508 449 H ILE 57 H ILE 57 6.607 -11.597 -13.258 450 HA ILE 57 HA ILE 57 6.386 -14.428 -12.323 451 HB ILE 57 HB ILE 57 5.556 -13.273 -14.989 452 1HG1 ILE 57 1HG1 ILE 57 3.914 -14.021 -12.525 453 2HG1 ILE 57 2HG1 ILE 57 4.061 -12.432 -13.251 454 1HG2 ILE 57 2HG2 ILE 57 6.246 -15.694 -15.090 455 2HG2 ILE 57 1HG2 ILE 57 5.109 -16.062 -13.798 456 3HG2 ILE 57 3HG2 ILE 57 4.537 -15.520 -15.374 457 1HD1 ILE 57 1HD1 ILE 57 3.087 -13.518 -15.405 458 2HD1 ILE 57 3HD1 ILE 57 2.630 -14.854 -14.326 459 3HD1 ILE 57 2HD1 ILE 57 1.978 -13.234 -14.081 460 H THR 58 H THR 58 8.261 -15.203 -12.210 461 HA THR 58 HA THR 58 10.344 -14.722 -14.280 462 HB THR 58 HB THR 58 11.028 -14.432 -11.981 463 HG1 THR 58 HG1 THR 58 12.346 -16.912 -12.975 464 1HG2 THR 58 2HG2 THR 58 9.637 -17.006 -11.213 465 2HG2 THR 58 1HG2 THR 58 10.816 -16.197 -10.169 466 3HG2 THR 58 3HG2 THR 58 9.388 -15.365 -10.708 467 H THR 59 H THR 59 7.857 -16.686 -13.943 468 HA THR 59 HA THR 59 7.146 -18.608 -14.438 469 HB THR 59 HB THR 59 7.929 -18.413 -16.581 470 HG1 THR 59 HG1 THR 59 8.411 -21.257 -15.771 471 1HG2 THR 59 2HG2 THR 59 10.807 -19.194 -15.794 472 2HG2 THR 59 1HG2 THR 59 10.206 -19.143 -17.451 473 3HG2 THR 59 3HG2 THR 59 10.160 -17.721 -16.487 474 H GLN 60 H GLN 60 9.856 -18.380 -12.466 475 HA GLN 60 HA GLN 60 9.552 -21.282 -11.746 476 1HB GLN 60 2HB GLN 60 11.969 -19.560 -11.227 477 2HB GLN 60 1HB GLN 60 11.825 -21.231 -10.869 478 1HG GLN 60 2HG GLN 60 11.453 -20.296 -13.757 479 2HG GLN 60 1HG GLN 60 13.046 -20.560 -13.089 480 1HE2 GLN 60 2HE2 GLN 60 10.552 -23.684 -14.022 481 2HE2 GLN 60 1HE2 GLN 60 9.990 -22.051 -13.994 482 H GLY 61 H GLY 61 8.070 -18.777 -10.920 483 1HA GLY 61 2HA GLY 61 7.304 -19.404 -8.394 484 2HA GLY 61 1HA GLY 61 8.744 -18.321 -8.147 485 H GLU 62 H GLU 62 5.365 -18.465 -8.708 486 HA GLU 62 HA GLU 62 5.086 -15.918 -9.986 487 1HB GLU 62 2HB GLU 62 3.666 -18.214 -9.847 488 2HB GLU 62 1HB GLU 62 2.942 -17.473 -8.434 489 1HG GLU 62 2HG GLU 62 3.010 -15.967 -11.079 490 2HG GLU 62 1HG GLU 62 1.873 -17.270 -10.839 491 H VAL 63 H VAL 63 5.706 -14.094 -8.838 492 HA VAL 63 HA VAL 63 4.980 -13.945 -5.942 493 HB VAL 63 HB VAL 63 6.998 -12.655 -5.590 494 1HG1 VAL 63 3HG1 VAL 63 7.245 -15.097 -5.419 495 2HG1 VAL 63 2HG1 VAL 63 7.819 -15.162 -7.085 496 3HG1 VAL 63 1HG1 VAL 63 8.748 -14.296 -5.871 497 1HG2 VAL 63 3HG2 VAL 63 7.103 -11.587 -8.011 498 2HG2 VAL 63 2HG2 VAL 63 8.610 -11.971 -7.236 499 3HG2 VAL 63 1HG2 VAL 63 7.967 -13.043 -8.461 500 H VAL 64 H VAL 64 5.361 -11.565 -5.344 501 HA VAL 64 HA VAL 64 4.086 -9.801 -7.311 502 HB VAL 64 HB VAL 64 3.804 -9.490 -4.285 503 1HG1 VAL 64 2HG1 VAL 64 2.516 -8.016 -6.644 504 2HG1 VAL 64 1HG1 VAL 64 1.799 -8.049 -5.089 505 3HG1 VAL 64 3HG1 VAL 64 3.345 -7.248 -5.250 506 1HG2 VAL 64 3HG2 VAL 64 2.560 -11.413 -5.159 507 2HG2 VAL 64 2HG2 VAL 64 1.490 -10.061 -4.724 508 3HG2 VAL 64 1HG2 VAL 64 1.858 -10.317 -6.408 509 H LYS 65 H LYS 65 4.768 -7.567 -6.344 510 HA LYS 65 HA LYS 65 7.712 -7.418 -5.745 511 1HB LYS 65 2HB LYS 65 6.170 -5.717 -7.790 512 2HB LYS 65 1HB LYS 65 7.811 -5.377 -7.338 513 1HG LYS 65 2HG LYS 65 6.966 -8.025 -8.594 514 2HG LYS 65 1HG LYS 65 7.421 -6.632 -9.493 515 1HD LYS 65 2HD LYS 65 9.445 -7.662 -9.464 516 2HD LYS 65 1HD LYS 65 9.669 -6.684 -8.033 517 1HE LYS 65 1HE LYS 65 9.413 -8.619 -6.601 518 2HE LYS 65 2HE LYS 65 8.663 -9.549 -7.888 519 1HZ LYS 65 3HZ LYS 65 10.677 -9.530 -9.101 520 2HZ LYS 65 2HZ LYS 65 11.456 -8.700 -7.839 521 3HZ LYS 65 1HZ LYS 65 10.833 -10.266 -7.581 522 H HIS 66 H HIS 66 8.335 -5.063 -5.189 523 HA HIS 66 HA HIS 66 6.200 -3.601 -3.854 524 1HB HIS 66 2HB HIS 66 8.517 -5.011 -2.395 525 2HB HIS 66 1HB HIS 66 7.974 -3.477 -1.769 526 HD1 HIS 66 HD1 HIS 66 4.931 -4.557 -2.854 527 HD2 HIS 66 HD2 HIS 66 7.479 -5.948 0.147 528 HE1 HIS 66 HE1 HIS 66 3.467 -5.788 -1.149 529 H TYR 67 H TYR 67 6.439 -1.587 -4.018 530 HA TYR 67 HA TYR 67 9.075 -0.273 -4.361 531 1HB TYR 67 2HB TYR 67 6.575 0.505 -5.985 532 2HB TYR 67 1HB TYR 67 8.142 1.231 -6.090 533 HD1 TYR 67 HD1 TYR 67 10.011 0.052 -7.137 534 HD2 TYR 67 HD2 TYR 67 6.059 -1.534 -7.181 535 HE1 TYR 67 HE1 TYR 67 10.658 -1.381 -8.968 536 HE2 TYR 67 HE2 TYR 67 6.606 -3.000 -8.993 537 HH TYR 67 HH TYR 67 9.370 -4.033 -10.021 538 H LYS 68 H LYS 68 8.858 2.107 -3.853 539 HA LYS 68 HA LYS 68 6.462 2.709 -2.253 540 1HB LYS 68 2HB LYS 68 7.545 3.316 -0.332 541 2HB LYS 68 1HB LYS 68 8.097 1.720 -0.784 542 1HG LYS 68 2HG LYS 68 9.614 4.257 -1.342 543 2HG LYS 68 1HG LYS 68 9.805 3.331 0.107 544 1HD LYS 68 2HD LYS 68 10.053 1.471 -2.104 545 2HD LYS 68 1HD LYS 68 11.044 2.858 -2.469 546 1HE LYS 68 1HE LYS 68 12.430 1.291 -1.261 547 2HE LYS 68 2HE LYS 68 12.080 2.609 -0.140 548 1HZ LYS 68 3HZ LYS 68 10.351 1.276 0.814 549 2HZ LYS 68 2HZ LYS 68 10.711 0.004 -0.251 550 3HZ LYS 68 1HZ LYS 68 11.859 0.497 0.895 551 H ILE 69 H ILE 69 5.524 4.195 -3.031 552 HA ILE 69 HA ILE 69 6.812 6.438 -4.391 553 HB ILE 69 HB ILE 69 4.180 7.086 -4.349 554 1HG1 ILE 69 1HG1 ILE 69 3.622 4.959 -3.244 555 2HG1 ILE 69 2HG1 ILE 69 2.637 5.498 -4.556 556 1HG2 ILE 69 1HG2 ILE 69 5.574 7.218 -6.290 557 2HG2 ILE 69 3HG2 ILE 69 5.112 5.538 -6.680 558 3HG2 ILE 69 2HG2 ILE 69 3.885 6.802 -6.470 559 1HD1 ILE 69 1HD1 ILE 69 4.686 3.269 -4.865 560 2HD1 ILE 69 3HD1 ILE 69 2.940 3.094 -4.664 561 3HD1 ILE 69 2HD1 ILE 69 3.571 3.871 -6.105 562 H ARG 70 H ARG 70 7.496 8.088 -3.258 563 HA ARG 70 HA ARG 70 6.209 8.605 -0.640 564 1HB ARG 70 2HB ARG 70 8.626 9.938 -1.967 565 2HB ARG 70 1HB ARG 70 7.952 10.487 -0.484 566 1HG ARG 70 2HG ARG 70 9.553 9.083 0.364 567 2HG ARG 70 1HG ARG 70 8.191 8.019 0.390 568 1HD ARG 70 2HD ARG 70 8.926 6.745 -1.438 569 2HD ARG 70 1HD ARG 70 9.794 8.109 -2.154 570 HE ARG 70 HE ARG 70 11.056 7.424 0.293 571 1HH1 ARG 70 1HH2 ARG 70 10.456 6.164 -2.940 572 2HH1 ARG 70 2HH2 ARG 70 11.999 5.393 -3.088 573 1HH2 ARG 70 2HH1 ARG 70 13.084 6.375 0.103 574 2HH2 ARG 70 1HH1 ARG 70 13.486 5.485 -1.327 575 H SER 71 H SER 71 6.137 11.203 -0.393 576 HA SER 71 HA SER 71 4.437 12.182 -2.638 577 1HB SER 71 2HB SER 71 3.169 13.237 -0.487 578 2HB SER 71 1HB SER 71 2.744 11.731 -1.096 579 HG SER 71 HG SER 71 4.720 11.082 0.954 580 H LEU 72 H LEU 72 5.179 14.038 -3.416 581 HA LEU 72 HA LEU 72 6.675 15.883 -1.704 582 1HB LEU 72 2HB LEU 72 6.602 15.900 -4.725 583 2HB LEU 72 1HB LEU 72 7.844 16.498 -3.671 584 HG LEU 72 HG LEU 72 8.674 14.665 -4.642 585 1HD1 LEU 72 1HD1 LEU 72 8.036 14.356 -1.770 586 2HD1 LEU 72 3HD1 LEU 72 8.581 12.881 -2.541 587 3HD1 LEU 72 2HD1 LEU 72 9.555 14.373 -2.581 588 1HD2 LEU 72 3HD2 LEU 72 6.212 13.791 -5.193 589 2HD2 LEU 72 2HD2 LEU 72 7.574 12.761 -5.401 590 3HD2 LEU 72 1HD2 LEU 72 6.607 12.605 -3.942 591 H ASP 73 H ASP 73 6.230 17.800 -1.599 592 HA ASP 73 HA ASP 73 3.514 18.739 -1.986 593 1HB ASP 73 2HB ASP 73 4.460 20.990 -1.207 594 2HB ASP 73 1HB ASP 73 4.752 19.666 -0.095 595 H ASN 74 H ASN 74 6.487 19.027 -3.720 596 HA ASN 74 HA ASN 74 5.214 20.770 -5.758 597 1HB ASN 74 2HB ASN 74 7.567 21.546 -6.224 598 2HB ASN 74 1HB ASN 74 7.078 21.844 -4.569 599 1HD2 ASN 74 2HD2 ASN 74 10.453 20.691 -4.218 600 2HD2 ASN 74 1HD2 ASN 74 9.542 22.074 -4.706 601 H GLY 75 H GLY 75 5.817 17.650 -5.293 602 1HA GLY 75 2HA GLY 75 6.195 17.199 -8.207 603 2HA GLY 75 1HA GLY 75 7.433 16.507 -7.106 604 H GLY 76 H GLY 76 4.202 16.549 -6.003 605 1HA GLY 76 2HA GLY 76 2.519 15.003 -5.826 606 2HA GLY 76 1HA GLY 76 3.084 14.364 -7.388 607 H TYR 77 H TYR 77 4.767 12.732 -7.462 608 HA TYR 77 HA TYR 77 5.253 11.235 -5.014 609 1HB TYR 77 2HB TYR 77 3.752 9.866 -7.381 610 2HB TYR 77 1HB TYR 77 4.349 9.071 -5.956 611 HD1 TYR 77 HD2 TYR 77 1.868 11.456 -7.185 612 HD2 TYR 77 HD1 TYR 77 3.116 8.997 -3.993 613 HE1 TYR 77 HE2 TYR 77 -0.324 11.791 -6.196 614 HE2 TYR 77 HE1 TYR 77 1.069 9.376 -2.815 615 HH TYR 77 HH TYR 77 -1.722 9.944 -3.993 616 H TYR 78 H TYR 78 6.858 9.900 -5.142 617 HA TYR 78 HA TYR 78 8.025 9.350 -7.825 618 1HB TYR 78 2HB TYR 78 10.115 10.343 -7.548 619 2HB TYR 78 1HB TYR 78 9.026 11.500 -6.921 620 HD1 TYR 78 HD2 TYR 78 11.275 8.731 -5.763 621 HD2 TYR 78 HD1 TYR 78 9.510 12.510 -4.841 622 HE1 TYR 78 HE2 TYR 78 12.571 8.784 -3.786 623 HE2 TYR 78 HE1 TYR 78 10.856 12.685 -2.892 624 HH TYR 78 HH TYR 78 12.058 10.414 -1.169 625 H ILE 79 H ILE 79 8.911 7.478 -8.100 626 HA ILE 79 HA ILE 79 9.201 5.696 -5.737 627 HB ILE 79 HB ILE 79 9.343 3.831 -7.619 628 1HG1 ILE 79 1HG1 ILE 79 7.354 5.881 -8.670 629 2HG1 ILE 79 2HG1 ILE 79 8.772 5.281 -9.483 630 1HG2 ILE 79 1HG2 ILE 79 6.923 4.677 -6.049 631 2HG2 ILE 79 3HG2 ILE 79 7.124 3.108 -6.838 632 3HG2 ILE 79 2HG2 ILE 79 8.218 3.584 -5.583 633 1HD1 ILE 79 2HD1 ILE 79 7.155 2.956 -8.830 634 2HD1 ILE 79 1HD1 ILE 79 6.082 4.193 -9.482 635 3HD1 ILE 79 3HD1 ILE 79 7.524 3.611 -10.356 636 H SER 80 H SER 80 10.873 7.254 -8.191 637 HA SER 80 HA SER 80 13.421 6.615 -6.888 638 1HB SER 80 2HB SER 80 13.987 5.375 -8.792 639 2HB SER 80 1HB SER 80 12.680 5.913 -9.686 640 HG SER 80 HG SER 80 14.650 8.137 -9.698 641 HA PRO 81 HA PRO 81 12.789 10.941 -6.839 642 1HB PRO 81 2HB PRO 81 15.671 11.504 -6.616 643 2HB PRO 81 1HB PRO 81 14.319 11.815 -5.482 644 1HG PRO 81 2HG PRO 81 16.204 9.844 -5.049 645 2HG PRO 81 1HG PRO 81 14.540 9.746 -4.468 646 1HD PRO 81 1HD PRO 81 15.781 8.417 -6.788 647 2HD PRO 81 2HD PRO 81 14.531 7.805 -5.680 648 H ARG 82 H ARG 82 15.012 9.722 -9.237 649 HA ARG 82 HA ARG 82 14.912 12.276 -10.688 650 1HB ARG 82 2HB ARG 82 16.337 11.607 -12.205 651 2HB ARG 82 1HB ARG 82 16.783 10.548 -10.939 652 1HG ARG 82 2HG ARG 82 16.480 8.716 -12.338 653 2HG ARG 82 1HG ARG 82 14.814 9.172 -12.645 654 1HD ARG 82 2HD ARG 82 15.830 9.265 -14.783 655 2HD ARG 82 1HD ARG 82 15.668 10.934 -14.233 656 HE ARG 82 HE ARG 82 17.964 11.105 -13.970 657 1HH1 ARG 82 1HH2 ARG 82 17.085 7.775 -14.787 658 2HH1 ARG 82 2HH2 ARG 82 18.720 7.287 -15.076 659 1HH2 ARG 82 2HH1 ARG 82 20.087 10.422 -14.364 660 2HH2 ARG 82 1HH1 ARG 82 20.421 8.791 -14.838 661 H ILE 83 H ILE 83 12.907 9.465 -10.570 662 HA ILE 83 HA ILE 83 11.189 10.530 -12.737 663 HB ILE 83 HB ILE 83 10.187 8.354 -12.929 664 1HG1 ILE 83 1HG1 ILE 83 12.421 6.834 -11.785 665 2HG1 ILE 83 2HG1 ILE 83 11.569 7.758 -10.560 666 1HG2 ILE 83 1HG2 ILE 83 11.869 9.101 -14.528 667 2HG2 ILE 83 3HG2 ILE 83 13.133 8.325 -13.570 668 3HG2 ILE 83 2HG2 ILE 83 11.864 7.356 -14.307 669 1HD1 ILE 83 1HD1 ILE 83 10.093 6.030 -12.530 670 2HD1 ILE 83 3HD1 ILE 83 10.568 5.483 -10.907 671 3HD1 ILE 83 2HD1 ILE 83 9.501 6.883 -11.077 672 H THR 84 H THR 84 10.332 11.958 -11.722 673 HA THR 84 HA THR 84 8.502 11.470 -9.427 674 HB THR 84 HB THR 84 9.126 14.185 -10.590 675 HG1 THR 84 HG1 THR 84 11.471 12.755 -9.384 676 1HG2 THR 84 2HG2 THR 84 8.705 13.274 -7.748 677 2HG2 THR 84 1HG2 THR 84 9.199 14.909 -8.201 678 3HG2 THR 84 3HG2 THR 84 7.733 14.226 -8.852 679 H PHE 85 H PHE 85 6.509 12.558 -9.532 680 HA PHE 85 HA PHE 85 5.320 13.045 -12.224 681 1HB PHE 85 2HB PHE 85 4.349 10.701 -10.481 682 2HB PHE 85 1HB PHE 85 3.529 11.261 -11.922 683 HD1 PHE 85 HD1 PHE 85 6.628 9.683 -10.656 684 HD2 PHE 85 HD2 PHE 85 4.383 10.738 -14.136 685 HE1 PHE 85 HE1 PHE 85 8.304 8.633 -12.038 686 HE2 PHE 85 HE2 PHE 85 5.969 9.471 -15.532 687 HZ PHE 85 HZ PHE 85 7.962 8.417 -14.499 688 HA PRO 86 HA PRO 86 3.118 15.984 -9.713 689 1HB PRO 86 2HB PRO 86 0.927 16.552 -11.319 690 2HB PRO 86 1HB PRO 86 2.566 17.089 -11.655 691 1HG PRO 86 2HG PRO 86 1.165 14.702 -12.835 692 2HG PRO 86 1HG PRO 86 2.127 15.917 -13.690 693 1HD PRO 86 1HD PRO 86 3.192 13.498 -13.007 694 2HD PRO 86 2HD PRO 86 4.185 14.969 -12.960 695 H THR 87 H THR 87 1.792 12.955 -10.572 696 HA THR 87 HA THR 87 0.441 12.628 -8.106 697 HB THR 87 HB THR 87 -1.428 13.642 -8.727 698 HG1 THR 87 HG1 THR 87 -2.137 10.908 -9.602 699 1HG2 THR 87 1HG2 THR 87 -0.930 13.054 -11.655 700 2HG2 THR 87 3HG2 THR 87 -2.438 13.803 -11.044 701 3HG2 THR 87 2HG2 THR 87 -0.916 14.546 -10.758 702 H LEU 88 H LEU 88 -0.604 10.454 -8.061 703 HA LEU 88 HA LEU 88 1.184 8.569 -9.164 704 1HB LEU 88 2HB LEU 88 -1.643 8.062 -8.106 705 2HB LEU 88 1HB LEU 88 -0.578 6.807 -8.643 706 HG LEU 88 HG LEU 88 -0.075 8.696 -6.384 707 1HD1 LEU 88 3HD1 LEU 88 -1.877 6.941 -6.101 708 2HD1 LEU 88 2HD1 LEU 88 -0.665 5.748 -6.552 709 3HD1 LEU 88 1HD1 LEU 88 -0.492 6.627 -5.019 710 1HD2 LEU 88 3HD2 LEU 88 1.531 6.305 -7.345 711 2HD2 LEU 88 2HD2 LEU 88 2.078 7.998 -7.270 712 3HD2 LEU 88 1HD2 LEU 88 1.760 7.099 -5.791 713 H GLN 89 H GLN 89 -1.819 10.017 -10.540 714 HA GLN 89 HA GLN 89 -2.171 7.515 -12.127 715 1HB GLN 89 2HB GLN 89 -4.045 8.061 -13.031 716 2HB GLN 89 1HB GLN 89 -4.129 8.844 -11.477 717 1HG GLN 89 2HG GLN 89 -3.575 10.046 -14.155 718 2HG GLN 89 1HG GLN 89 -5.064 10.216 -13.224 719 1HE2 GLN 89 2HE2 GLN 89 -3.479 12.287 -10.699 720 2HE2 GLN 89 1HE2 GLN 89 -4.370 10.810 -10.823 721 H ALA 90 H ALA 90 -0.644 10.505 -12.553 722 HA ALA 90 HA ALA 90 0.065 10.107 -15.321 723 1HB ALA 90 2HB ALA 90 0.207 12.370 -14.131 724 2HB ALA 90 1HB ALA 90 1.561 11.782 -13.169 725 3HB ALA 90 3HB ALA 90 1.745 11.989 -14.902 726 H LEU 91 H LEU 91 1.077 8.626 -12.512 727 HA LEU 91 HA LEU 91 3.680 7.651 -13.414 728 1HB LEU 91 2HB LEU 91 3.872 8.317 -11.292 729 2HB LEU 91 1HB LEU 91 2.236 8.187 -10.874 730 HG LEU 91 HG LEU 91 4.033 5.786 -11.085 731 1HD1 LEU 91 3HD1 LEU 91 5.090 7.364 -9.494 732 2HD1 LEU 91 2HD1 LEU 91 3.551 7.453 -8.616 733 3HD1 LEU 91 1HD1 LEU 91 4.441 5.938 -8.674 734 1HD2 LEU 91 1HD2 LEU 91 1.371 6.148 -9.703 735 2HD2 LEU 91 3HD2 LEU 91 1.907 4.959 -10.920 736 3HD2 LEU 91 2HD2 LEU 91 2.540 4.834 -9.324 737 H VAL 92 H VAL 92 0.327 6.566 -12.753 738 HA VAL 92 HA VAL 92 0.895 3.837 -13.316 739 HB VAL 92 HB VAL 92 -1.877 5.117 -13.222 740 1HG1 VAL 92 2HG1 VAL 92 -1.801 2.626 -13.438 741 2HG1 VAL 92 1HG1 VAL 92 -0.840 2.600 -11.885 742 3HG1 VAL 92 3HG1 VAL 92 -2.479 3.173 -11.913 743 1HG2 VAL 92 2HG2 VAL 92 0.006 5.292 -11.001 744 2HG2 VAL 92 1HG2 VAL 92 -1.589 5.928 -11.144 745 3HG2 VAL 92 3HG2 VAL 92 -1.302 4.336 -10.527 746 H GLN 93 H GLN 93 0.615 6.572 -15.194 747 HA GLN 93 HA GLN 93 -0.776 5.471 -17.503 748 1HB GLN 93 2HB GLN 93 -0.943 7.568 -18.389 749 2HB GLN 93 1HB GLN 93 -0.904 7.987 -16.702 750 1HG GLN 93 2HG GLN 93 1.581 8.454 -16.951 751 2HG GLN 93 1HG GLN 93 1.421 8.200 -18.668 752 1HE2 GLN 93 2HE2 GLN 93 1.249 11.811 -17.795 753 2HE2 GLN 93 1HE2 GLN 93 2.325 10.512 -17.406 754 H HIS 94 H HIS 94 2.312 6.678 -16.332 755 HA HIS 94 HA HIS 94 3.939 6.292 -18.522 756 1HB HIS 94 2HB HIS 94 4.440 7.493 -16.280 757 2HB HIS 94 1HB HIS 94 4.736 5.937 -15.547 758 HD1 HIS 94 HD1 HIS 94 7.249 5.991 -15.265 759 HD2 HIS 94 HD2 HIS 94 6.053 7.170 -19.114 760 HE1 HIS 94 HE1 HIS 94 9.351 6.306 -16.639 761 H TYR 95 H TYR 95 3.142 4.158 -15.820 762 HA TYR 95 HA TYR 95 4.634 1.947 -16.920 763 1HB TYR 95 2HB TYR 95 2.667 1.811 -14.640 764 2HB TYR 95 1HB TYR 95 3.905 0.614 -15.039 765 HD1 TYR 95 HD1 TYR 95 6.241 2.455 -15.676 766 HD2 TYR 95 HD2 TYR 95 3.342 2.503 -12.523 767 HE1 TYR 95 HE1 TYR 95 7.675 3.857 -14.471 768 HE2 TYR 95 HE2 TYR 95 4.765 3.876 -11.211 769 HH TYR 95 HH TYR 95 6.761 5.971 -12.424 770 H SER 96 H SER 96 1.325 3.023 -17.336 771 HA SER 96 HA SER 96 0.420 0.454 -18.252 772 1HB SER 96 2HB SER 96 -0.458 3.184 -19.455 773 2HB SER 96 1HB SER 96 -1.270 1.720 -19.648 774 HG SER 96 HG SER 96 -1.364 2.499 -16.747 775 H LYS 97 H LYS 97 2.599 2.598 -19.813 776 HA LYS 97 HA LYS 97 2.398 0.998 -22.303 777 1HB LYS 97 2HB LYS 97 3.928 3.511 -21.438 778 2HB LYS 97 1HB LYS 97 4.451 2.657 -22.859 779 1HG LYS 97 2HG LYS 97 2.987 4.486 -23.488 780 2HG LYS 97 1HG LYS 97 2.278 2.961 -23.946 781 1HD LYS 97 2HD LYS 97 0.699 3.065 -22.042 782 2HD LYS 97 1HD LYS 97 1.507 4.480 -21.406 783 1HE LYS 97 1HE LYS 97 -0.566 5.130 -22.569 784 2HE LYS 97 2HE LYS 97 0.821 5.789 -23.430 785 1HZ LYS 97 1HZ LYS 97 -0.650 3.339 -24.147 786 2HZ LYS 97 3HZ LYS 97 -0.783 4.855 -24.902 787 3HZ LYS 97 2HZ LYS 97 0.675 3.989 -24.980 788 H LYS 98 H LYS 98 4.900 1.826 -19.943 789 HA LYS 98 HA LYS 98 5.897 -0.831 -19.971 790 1HB LYS 98 2HB LYS 98 8.273 -0.404 -20.507 791 2HB LYS 98 1HB LYS 98 7.118 -0.658 -21.771 792 1HG LYS 98 2HG LYS 98 8.645 1.055 -22.269 793 2HG LYS 98 1HG LYS 98 6.969 1.637 -22.263 794 1HD LYS 98 2HD LYS 98 8.650 2.004 -19.809 795 2HD LYS 98 1HD LYS 98 9.122 2.965 -21.165 796 1HE LYS 98 1HE LYS 98 6.215 3.206 -20.800 797 2HE LYS 98 2HE LYS 98 7.049 3.585 -19.307 798 1HZ LYS 98 1HZ LYS 98 8.425 5.111 -20.463 799 2HZ LYS 98 3HZ LYS 98 7.556 4.842 -21.899 800 3HZ LYS 98 2HZ LYS 98 6.777 5.506 -20.539 801 H GLY 99 H GLY 99 7.582 -1.157 -18.529 802 1HA GLY 99 2HA GLY 99 7.002 0.054 -15.969 803 2HA GLY 99 1HA GLY 99 8.371 -1.070 -16.304 804 H ASP 100 H ASP 100 9.419 0.545 -18.411 805 HA ASP 100 HA ASP 100 11.194 1.932 -18.650 806 1HB ASP 100 2HB ASP 100 8.956 3.418 -18.228 807 2HB ASP 100 1HB ASP 100 9.780 3.930 -16.806 808 H GLY 101 H GLY 101 11.240 0.196 -16.179 809 1HA GLY 101 2HA GLY 101 13.617 0.418 -15.117 810 2HA GLY 101 1HA GLY 101 12.875 1.845 -14.299 811 H LEU 102 H LEU 102 10.258 0.160 -14.337 812 HA LEU 102 HA LEU 102 10.469 -0.769 -11.653 813 1HB LEU 102 2HB LEU 102 8.405 -1.391 -13.848 814 2HB LEU 102 1HB LEU 102 8.207 -1.920 -12.222 815 HG LEU 102 HG LEU 102 8.206 0.936 -13.223 816 1HD1 LEU 102 1HD1 LEU 102 6.145 -0.819 -11.827 817 2HD1 LEU 102 3HD1 LEU 102 5.894 0.862 -12.201 818 3HD1 LEU 102 2HD1 LEU 102 6.089 -0.303 -13.519 819 1HD2 LEU 102 3HD2 LEU 102 8.063 0.017 -10.305 820 2HD2 LEU 102 2HD2 LEU 102 9.344 1.020 -11.000 821 3HD2 LEU 102 1HD2 LEU 102 7.697 1.619 -10.872 822 H CYS 103 H CYS 103 9.967 -2.548 -14.596 823 HA CYS 103 HA CYS 103 11.713 -4.336 -15.029 824 1HB CYS 103 2HB CYS 103 11.383 -6.464 -13.751 825 2HB CYS 103 1HB CYS 103 12.019 -5.200 -12.757 826 HG CYS 103 HG CYS 103 10.174 -6.732 -11.246 827 H GLN 104 H GLN 104 8.340 -3.918 -14.321 828 HA GLN 104 HA GLN 104 7.504 -5.576 -16.663 829 1HB GLN 104 2HB GLN 104 5.901 -4.759 -14.192 830 2HB GLN 104 1HB GLN 104 5.428 -5.893 -15.414 831 1HG GLN 104 2HG GLN 104 6.315 -7.614 -14.251 832 2HG GLN 104 1HG GLN 104 7.907 -6.913 -14.265 833 1HE2 GLN 104 2HE2 GLN 104 6.362 -7.454 -10.804 834 2HE2 GLN 104 1HE2 GLN 104 6.313 -8.398 -12.251 835 H LYS 105 H LYS 105 5.156 -4.129 -15.849 836 HA LYS 105 HA LYS 105 5.095 -1.380 -16.432 837 1HB LYS 105 2HB LYS 105 4.358 -1.433 -18.718 838 2HB LYS 105 1HB LYS 105 5.691 -2.590 -18.615 839 1HG LYS 105 2HG LYS 105 3.019 -3.896 -18.307 840 2HG LYS 105 1HG LYS 105 3.186 -3.004 -19.796 841 1HD LYS 105 2HD LYS 105 5.304 -4.976 -18.839 842 2HD LYS 105 1HD LYS 105 3.931 -5.458 -19.809 843 1HE LYS 105 1HE LYS 105 4.507 -3.942 -21.578 844 2HE LYS 105 2HE LYS 105 5.887 -3.255 -20.672 845 1HZ LYS 105 1HZ LYS 105 5.611 -6.070 -21.517 846 2HZ LYS 105 3HZ LYS 105 6.585 -4.903 -22.282 847 3HZ LYS 105 2HZ LYS 105 6.917 -5.391 -20.687 848 H LEU 106 H LEU 106 2.349 -1.443 -17.548 849 HA LEU 106 HA LEU 106 1.034 -3.077 -15.455 850 1HB LEU 106 2HB LEU 106 -0.365 -0.637 -16.676 851 2HB LEU 106 1HB LEU 106 -0.853 -1.588 -15.332 852 HG LEU 106 HG LEU 106 1.117 0.624 -15.454 853 1HD1 LEU 106 3HD1 LEU 106 -1.402 0.470 -14.335 854 2HD1 LEU 106 2HD1 LEU 106 -0.471 -0.075 -12.989 855 3HD1 LEU 106 1HD1 LEU 106 -0.065 1.479 -13.684 856 1HD2 LEU 106 2HD2 LEU 106 1.236 -1.654 -13.509 857 2HD2 LEU 106 1HD2 LEU 106 2.613 -1.087 -14.411 858 3HD2 LEU 106 3HD2 LEU 106 1.955 -0.072 -13.170 859 H THR 107 H THR 107 -1.123 -3.712 -15.977 860 HA THR 107 HA THR 107 -1.680 -3.838 -18.868 861 HB THR 107 HB THR 107 -1.919 -6.131 -19.039 862 HG1 THR 107 HG1 THR 107 -1.815 -6.625 -16.129 863 1HG2 THR 107 1HG2 THR 107 0.821 -5.511 -17.826 864 2HG2 THR 107 3HG2 THR 107 0.431 -6.992 -18.681 865 3HG2 THR 107 2HG2 THR 107 0.308 -5.425 -19.459 866 H LEU 108 H LEU 108 -2.789 -5.454 -15.958 867 HA LEU 108 HA LEU 108 -5.369 -3.942 -16.265 868 1HB LEU 108 2HB LEU 108 -5.255 -6.878 -15.648 869 2HB LEU 108 1HB LEU 108 -6.684 -5.979 -15.944 870 HG LEU 108 HG LEU 108 -4.575 -6.336 -18.098 871 1HD1 LEU 108 3HD1 LEU 108 -5.179 -8.557 -17.376 872 2HD1 LEU 108 2HD1 LEU 108 -6.898 -8.188 -17.553 873 3HD1 LEU 108 1HD1 LEU 108 -5.845 -8.222 -18.970 874 1HD2 LEU 108 2HD2 LEU 108 -6.284 -4.514 -18.406 875 2HD2 LEU 108 1HD2 LEU 108 -6.441 -5.788 -19.615 876 3HD2 LEU 108 3HD2 LEU 108 -7.561 -5.710 -18.252 877 HA PRO 109 HA PRO 109 -4.240 -3.875 -11.819 878 1HB PRO 109 2HB PRO 109 -5.830 -1.780 -11.031 879 2HB PRO 109 1HB PRO 109 -4.383 -1.545 -11.994 880 1HG PRO 109 2HG PRO 109 -7.209 -1.643 -13.009 881 2HG PRO 109 1HG PRO 109 -5.944 -0.493 -13.471 882 1HD PRO 109 1HD PRO 109 -6.582 -2.808 -14.981 883 2HD PRO 109 2HD PRO 109 -4.970 -2.058 -15.013 884 H CYS 110 H CYS 110 -4.987 -5.764 -11.564 885 HA CYS 110 HA CYS 110 -6.209 -7.535 -11.007 886 1HB CYS 110 2HB CYS 110 -5.840 -6.240 -8.878 887 2HB CYS 110 1HB CYS 110 -7.491 -5.689 -9.008 888 HG CYS 110 HG CYS 110 -8.707 -8.053 -8.397 889 H VAL 111 H VAL 111 -8.920 -7.030 -9.711 890 HA VAL 111 HA VAL 111 -10.639 -6.759 -12.130 891 HB VAL 111 HB VAL 111 -11.935 -8.815 -11.201 892 1HG1 VAL 111 1HG1 VAL 111 -10.644 -8.846 -13.311 893 2HG1 VAL 111 3HG1 VAL 111 -9.197 -9.314 -12.424 894 3HG1 VAL 111 2HG1 VAL 111 -10.585 -10.393 -12.473 895 1HG2 VAL 111 1HG2 VAL 111 -10.585 -8.933 -8.975 896 2HG2 VAL 111 3HG2 VAL 111 -10.711 -10.446 -9.863 897 3HG2 VAL 111 2HG2 VAL 111 -9.230 -9.512 -9.929 898 H ASN 112 H ASN 112 -12.301 -7.994 -9.462 899 HA ASN 112 HA ASN 112 -12.614 -5.449 -8.089 900 1HB ASN 112 2HB ASN 112 -15.044 -5.222 -8.419 901 2HB ASN 112 1HB ASN 112 -14.171 -5.057 -9.918 902 1HD2 ASN 112 2HD2 ASN 112 -17.296 -7.298 -9.999 903 2HD2 ASN 112 1HD2 ASN 112 -16.979 -5.848 -9.122 904 H LEU 113 H LEU 113 -14.347 -8.547 -8.437 905 HA LEU 113 HA LEU 113 -15.062 -10.045 -6.939 906 1HB LEU 113 2HB LEU 113 -12.568 -9.239 -5.344 907 2HB LEU 113 1HB LEU 113 -13.442 -10.729 -5.130 908 HG LEU 113 HG LEU 113 -12.114 -9.935 -7.754 909 1HD1 LEU 113 1HD1 LEU 113 -10.394 -10.121 -6.004 910 2HD1 LEU 113 3HD1 LEU 113 -10.977 -11.731 -5.583 911 3HD1 LEU 113 2HD1 LEU 113 -10.264 -11.436 -7.168 912 1HD2 LEU 113 2HD2 LEU 113 -13.903 -11.654 -8.009 913 2HD2 LEU 113 1HD2 LEU 113 -12.318 -12.353 -8.303 914 3HD2 LEU 113 3HD2 LEU 113 -13.137 -12.646 -6.770 915 H ALA 114 HN ALA 114 -16.473 -8.046 -6.875 916 HA ALA 114 HA ALA 114 -18.160 -7.072 -5.795 917 1HB ALA 114 1HB ALA 114 -18.197 -9.062 -4.232 918 2HB ALA 114 3HB ALA 114 -17.133 -8.193 -3.126 919 3HB ALA 114 2HB ALA 114 -18.741 -7.577 -3.465 No H/Q in entry = 919 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -6.814 15.311 -16.511 2 2H GLY 1 3H GLY 1 -7.094 16.793 -17.293 3 3H GLY 1 2H GLY 1 -7.244 16.679 -15.607 4 1HA GLY 1 2HA GLY 1 -9.079 15.242 -15.772 5 2HA GLY 1 1HA GLY 1 -9.370 16.747 -16.716 6 H SER 2 H SER 2 -9.704 16.653 -18.825 7 HA SER 2 HA SER 2 -10.060 15.882 -20.902 8 1HB SER 2 2HB SER 2 -8.766 13.145 -20.491 9 2HB SER 2 1HB SER 2 -8.738 14.159 -21.835 10 HG SER 2 HG SER 2 -7.041 15.371 -19.669 11 H VAL 3 H VAL 3 -10.709 13.376 -21.916 12 HA VAL 3 HA VAL 3 -13.400 13.171 -21.019 13 HB VAL 3 HB VAL 3 -12.704 12.739 -23.321 14 1HG1 VAL 3 3HG1 VAL 3 -10.517 11.605 -22.935 15 2HG1 VAL 3 2HG1 VAL 3 -11.366 10.161 -22.386 16 3HG1 VAL 3 1HG1 VAL 3 -11.540 10.709 -24.045 17 1HG2 VAL 3 2HG2 VAL 3 -14.834 11.723 -22.522 18 2HG2 VAL 3 1HG2 VAL 3 -14.092 10.755 -23.790 19 3HG2 VAL 3 3HG2 VAL 3 -13.982 10.235 -22.113 20 H ALA 4 H ALA 4 -14.372 11.910 -19.601 21 HA ALA 4 HA ALA 4 -13.101 9.486 -18.567 22 1HB ALA 4 2HB ALA 4 -13.545 11.921 -16.757 23 2HB ALA 4 1HB ALA 4 -13.097 10.314 -16.187 24 3HB ALA 4 3HB ALA 4 -11.992 11.228 -17.205 25 HA PRO 5 HA PRO 5 -17.684 9.215 -18.586 26 1HB PRO 5 2HB PRO 5 -17.923 6.486 -18.982 27 2HB PRO 5 1HB PRO 5 -17.498 7.620 -20.241 28 1HG PRO 5 2HG PRO 5 -15.583 5.940 -18.649 29 2HG PRO 5 1HG PRO 5 -15.616 6.167 -20.402 30 1HD PRO 5 1HD PRO 5 -13.913 7.594 -18.812 31 2HD PRO 5 2HD PRO 5 -14.617 8.315 -20.268 32 H VAL 6 H VAL 6 -17.315 6.084 -17.221 33 HA VAL 6 HA VAL 6 -17.551 7.188 -14.467 34 HB VAL 6 HB VAL 6 -19.320 4.939 -15.496 35 1HG1 VAL 6 2HG1 VAL 6 -18.765 5.484 -12.878 36 2HG1 VAL 6 1HG1 VAL 6 -19.988 6.684 -13.119 37 3HG1 VAL 6 3HG1 VAL 6 -20.379 4.991 -13.398 38 1HG2 VAL 6 1HG2 VAL 6 -20.047 7.896 -15.292 39 2HG2 VAL 6 3HG2 VAL 6 -20.032 6.915 -16.758 40 3HG2 VAL 6 2HG2 VAL 6 -21.209 6.589 -15.502 41 H GLU 7 H GLU 7 -15.444 6.700 -14.232 42 HA GLU 7 HA GLU 7 -14.349 4.097 -14.608 43 1HB GLU 7 2HB GLU 7 -13.506 6.596 -13.059 44 2HB GLU 7 1HB GLU 7 -12.570 5.143 -12.887 45 1HG GLU 7 2HG GLU 7 -11.627 6.673 -14.623 46 2HG GLU 7 1HG GLU 7 -11.998 5.077 -15.237 47 H THR 8 H THR 8 -15.472 2.599 -13.779 48 HA THR 8 HA THR 8 -15.409 2.168 -10.856 49 HB THR 8 HB THR 8 -17.879 1.426 -11.049 50 HG1 THR 8 HG1 THR 8 -17.821 2.546 -13.818 51 1HG2 THR 8 3HG2 THR 8 -17.365 3.421 -9.906 52 2HG2 THR 8 2HG2 THR 8 -17.322 4.440 -11.315 53 3HG2 THR 8 1HG2 THR 8 -18.832 3.688 -10.816 54 H LEU 9 H LEU 9 -16.857 0.815 -13.811 55 HA LEU 9 HA LEU 9 -16.582 -1.838 -12.940 56 1HB LEU 9 2HB LEU 9 -17.689 -2.503 -14.814 57 2HB LEU 9 1HB LEU 9 -18.252 -0.896 -14.552 58 HG LEU 9 HG LEU 9 -18.067 -1.171 -16.832 59 1HD1 LEU 9 2HD1 LEU 9 -15.791 0.582 -15.921 60 2HD1 LEU 9 1HD1 LEU 9 -16.104 0.319 -17.629 61 3HD1 LEU 9 3HD1 LEU 9 -17.358 0.990 -16.626 62 1HD2 LEU 9 3HD2 LEU 9 -16.666 -3.232 -16.845 63 2HD2 LEU 9 2HD2 LEU 9 -16.284 -2.102 -18.133 64 3HD2 LEU 9 1HD2 LEU 9 -15.211 -2.250 -16.765 65 H GLU 10 H GLU 10 -14.999 -3.095 -12.772 66 HA GLU 10 HA GLU 10 -13.012 -4.091 -12.879 67 1HB GLU 10 2HB GLU 10 -13.974 -4.479 -15.213 68 2HB GLU 10 1HB GLU 10 -12.877 -3.264 -15.813 69 1HG GLU 10 2HG GLU 10 -10.919 -4.628 -15.000 70 2HG GLU 10 1HG GLU 10 -12.020 -5.806 -14.317 71 H VAL 11 H VAL 11 -13.046 -1.441 -11.928 72 HA VAL 11 HA VAL 11 -10.214 -0.889 -12.090 73 HB VAL 11 HB VAL 11 -10.856 0.394 -14.025 74 1HG1 VAL 11 3HG1 VAL 11 -13.277 0.762 -13.623 75 2HG1 VAL 11 2HG1 VAL 11 -12.910 1.911 -12.346 76 3HG1 VAL 11 1HG1 VAL 11 -12.461 2.264 -14.004 77 1HG2 VAL 11 2HG2 VAL 11 -9.169 1.300 -12.388 78 2HG2 VAL 11 1HG2 VAL 11 -9.927 2.556 -13.387 79 3HG2 VAL 11 3HG2 VAL 11 -10.424 2.322 -11.709 80 H GLU 12 H GLU 12 -10.617 -1.725 -10.170 81 HA GLU 12 HA GLU 12 -11.092 0.322 -8.071 82 1HB GLU 12 2HB GLU 12 -12.416 -2.420 -7.926 83 2HB GLU 12 1HB GLU 12 -12.643 -1.089 -6.814 84 1HG GLU 12 2HG GLU 12 -13.666 0.258 -8.748 85 2HG GLU 12 1HG GLU 12 -13.556 -1.169 -9.738 86 H LYS 13 H LYS 13 -8.812 -1.014 -9.265 87 HA LYS 13 HA LYS 13 -7.696 -1.887 -6.626 88 1HB LYS 13 2HB LYS 13 -7.636 -3.534 -9.178 89 2HB LYS 13 1HB LYS 13 -6.648 -3.872 -7.771 90 1HG LYS 13 2HG LYS 13 -9.707 -3.709 -7.676 91 2HG LYS 13 1HG LYS 13 -8.820 -5.185 -7.936 92 1HD LYS 13 2HD LYS 13 -7.534 -4.716 -5.740 93 2HD LYS 13 1HD LYS 13 -8.719 -3.474 -5.435 94 1HE LYS 13 1HE LYS 13 -10.421 -5.468 -6.018 95 2HE LYS 13 2HE LYS 13 -9.083 -6.460 -5.453 96 1HZ LYS 13 2HZ LYS 13 -10.304 -4.256 -3.954 97 2HZ LYS 13 1HZ LYS 13 -10.724 -5.902 -3.820 98 3HZ LYS 13 3HZ LYS 13 -9.160 -5.382 -3.390 99 H TRP 14 H TRP 14 -7.089 -0.222 -9.769 100 HA TRP 14 HA TRP 14 -4.316 -0.724 -9.534 101 1HB TRP 14 2HB TRP 14 -3.711 0.757 -11.124 102 2HB TRP 14 1HB TRP 14 -5.323 0.355 -11.600 103 HD1 TRP 14 HD1 TRP 14 -6.692 2.421 -12.389 104 HE1 TRP 14 HE1 TRP 14 -6.492 4.938 -12.177 105 HE3 TRP 14 HE3 TRP 14 -2.811 2.680 -9.047 106 HZ2 TRP 14 HZ2 TRP 14 -4.757 6.840 -10.795 107 HZ3 TRP 14 HZ3 TRP 14 -2.021 4.839 -8.280 108 HH2 TRP 14 HH2 TRP 14 -3.057 6.947 -9.183 109 H PHE 15 H PHE 15 -6.395 1.775 -8.309 110 HA PHE 15 HA PHE 15 -4.383 2.680 -6.362 111 1HB PHE 15 2HB PHE 15 -5.652 4.382 -7.792 112 2HB PHE 15 1HB PHE 15 -7.147 3.851 -7.073 113 HD1 PHE 15 HD2 PHE 15 -3.946 5.558 -6.464 114 HD2 PHE 15 HD1 PHE 15 -7.720 4.486 -4.777 115 HE1 PHE 15 HE2 PHE 15 -3.564 7.142 -4.604 116 HE2 PHE 15 HE1 PHE 15 -7.340 6.062 -2.923 117 HZ PHE 15 HZ PHE 15 -5.260 7.389 -2.832 118 H PHE 16 H PHE 16 -4.471 1.916 -4.341 119 HA PHE 16 HA PHE 16 -7.069 1.064 -3.264 120 1HB PHE 16 2HB PHE 16 -5.343 -0.906 -4.337 121 2HB PHE 16 1HB PHE 16 -4.809 -0.926 -2.671 122 HD1 PHE 16 HD2 PHE 16 -8.178 -0.502 -4.322 123 HD2 PHE 16 HD1 PHE 16 -5.697 -2.737 -1.651 124 HE1 PHE 16 HE2 PHE 16 -10.138 -1.790 -3.647 125 HE2 PHE 16 HE1 PHE 16 -7.763 -4.004 -0.899 126 HZ PHE 16 HZ PHE 16 -9.934 -3.563 -1.963 127 H ARG 17 H ARG 17 -7.081 0.585 -1.028 128 HA ARG 17 HA ARG 17 -5.591 2.665 0.379 129 1HB ARG 17 2HB ARG 17 -7.824 0.714 1.085 130 2HB ARG 17 1HB ARG 17 -6.930 1.366 2.413 131 1HG ARG 17 2HG ARG 17 -7.343 3.681 1.551 132 2HG ARG 17 1HG ARG 17 -8.430 3.013 0.345 133 1HD ARG 17 2HD ARG 17 -9.811 1.990 2.224 134 2HD ARG 17 1HD ARG 17 -8.756 2.766 3.400 135 HE ARG 17 HE ARG 17 -10.914 3.932 1.930 136 1HH1 ARG 17 1HH2 ARG 17 -7.727 4.707 3.277 137 2HH1 ARG 17 2HH2 ARG 17 -8.127 6.363 3.554 138 1HH2 ARG 17 2HH1 ARG 17 -11.373 6.113 2.294 139 2HH2 ARG 17 1HH1 ARG 17 -10.185 7.165 2.985 140 H THR 18 H THR 18 -5.066 1.718 2.771 141 HA THR 18 HA THR 18 -2.588 0.320 2.344 142 HB THR 18 HB THR 18 -2.383 2.004 3.933 143 HG1 THR 18 HG1 THR 18 -2.252 -0.521 5.495 144 1HG2 THR 18 1HG2 THR 18 -4.664 2.517 4.353 145 2HG2 THR 18 3HG2 THR 18 -4.941 1.163 5.399 146 3HG2 THR 18 2HG2 THR 18 -3.820 2.477 5.841 147 H ILE 19 H ILE 19 -3.850 -1.458 1.493 148 HA ILE 19 HA ILE 19 -5.133 -3.279 3.347 149 HB ILE 19 HB ILE 19 -5.341 -3.038 0.764 150 1HG1 ILE 19 1HG1 ILE 19 -5.308 -5.650 2.113 151 2HG1 ILE 19 2HG1 ILE 19 -6.640 -4.650 1.693 152 1HG2 ILE 19 2HG2 ILE 19 -2.971 -3.085 0.176 153 2HG2 ILE 19 1HG2 ILE 19 -2.914 -4.812 0.648 154 3HG2 ILE 19 3HG2 ILE 19 -3.936 -4.242 -0.700 155 1HD1 ILE 19 1HD1 ILE 19 -5.986 -5.011 -0.830 156 2HD1 ILE 19 3HD1 ILE 19 -4.970 -6.278 -0.272 157 3HD1 ILE 19 2HD1 ILE 19 -6.705 -6.396 0.006 158 H SER 20 H SER 20 -4.047 -5.390 3.825 159 HA SER 20 HA SER 20 -1.362 -4.630 4.768 160 1HB SER 20 2HB SER 20 -2.711 -6.172 6.206 161 2HB SER 20 1HB SER 20 -2.870 -7.266 4.926 162 HG SER 20 HG SER 20 0.009 -7.240 5.705 163 H ARG 21 H ARG 21 0.471 -5.742 4.303 164 HA ARG 21 HA ARG 21 1.223 -6.043 1.707 165 1HB ARG 21 2HB ARG 21 2.741 -5.870 3.746 166 2HB ARG 21 1HB ARG 21 2.693 -7.606 3.893 167 1HG ARG 21 2HG ARG 21 3.667 -7.904 1.670 168 2HG ARG 21 1HG ARG 21 3.560 -6.199 1.326 169 1HD ARG 21 2HD ARG 21 5.253 -7.275 3.640 170 2HD ARG 21 1HD ARG 21 5.888 -6.992 2.008 171 HE ARG 21 HE ARG 21 4.547 -4.671 2.798 172 1HH1 ARG 21 1HH2 ARG 21 7.349 -6.593 3.709 173 2HH1 ARG 21 2HH2 ARG 21 8.256 -5.256 4.333 174 1HH2 ARG 21 2HH1 ARG 21 5.772 -2.898 3.622 175 2HH2 ARG 21 1HH1 ARG 21 7.354 -3.152 4.285 176 H LYS 22 H LYS 22 -0.075 -8.853 3.780 177 HA LYS 22 HA LYS 22 0.568 -10.565 1.540 178 1HB LYS 22 2HB LYS 22 -0.299 -12.335 2.623 179 2HB LYS 22 1HB LYS 22 0.558 -11.418 3.867 180 1HG LYS 22 2HG LYS 22 -2.454 -11.637 3.404 181 2HG LYS 22 1HG LYS 22 -1.540 -12.443 4.658 182 1HD LYS 22 2HD LYS 22 -0.921 -10.260 5.570 183 2HD LYS 22 1HD LYS 22 -1.921 -9.487 4.318 184 1HE LYS 22 1HE LYS 22 -3.853 -11.035 5.298 185 2HE LYS 22 2HE LYS 22 -2.808 -11.181 6.703 186 1HZ LYS 22 2HZ LYS 22 -2.816 -8.730 6.784 187 2HZ LYS 22 1HZ LYS 22 -3.999 -8.758 5.562 188 3HZ LYS 22 3HZ LYS 22 -4.321 -9.479 7.067 189 H ASP 23 H ASP 23 -1.839 -8.386 2.275 190 HA ASP 23 HA ASP 23 -3.978 -9.931 1.144 191 1HB ASP 23 2HB ASP 23 -3.863 -7.029 2.113 192 2HB ASP 23 1HB ASP 23 -5.307 -7.670 1.402 193 H ALA 24 H ALA 24 -2.263 -7.096 0.388 194 HA ALA 24 HA ALA 24 -3.449 -6.509 -2.183 195 1HB ALA 24 2HB ALA 24 -0.940 -5.668 -0.747 196 2HB ALA 24 1HB ALA 24 -0.927 -5.477 -2.516 197 3HB ALA 24 3HB ALA 24 -2.150 -4.680 -1.581 198 H GLU 25 H GLU 25 -0.787 -8.519 -1.121 199 HA GLU 25 HA GLU 25 0.097 -9.338 -3.670 200 1HB GLU 25 2HB GLU 25 0.430 -10.221 -0.770 201 2HB GLU 25 1HB GLU 25 1.105 -11.193 -2.027 202 1HG GLU 25 2HG GLU 25 2.704 -9.586 -0.958 203 2HG GLU 25 1HG GLU 25 2.671 -9.555 -2.693 204 H ARG 26 H ARG 26 -2.455 -10.410 -1.407 205 HA ARG 26 HA ARG 26 -2.767 -12.966 -2.644 206 1HB ARG 26 2HB ARG 26 -4.634 -13.260 -1.249 207 2HB ARG 26 1HB ARG 26 -3.832 -11.985 -0.409 208 1HG ARG 26 2HG ARG 26 -5.657 -10.554 -2.056 209 2HG ARG 26 1HG ARG 26 -6.455 -12.039 -1.760 210 1HD ARG 26 2HD ARG 26 -5.848 -11.409 0.826 211 2HD ARG 26 1HD ARG 26 -5.857 -9.773 0.120 212 HE ARG 26 HE ARG 26 -8.134 -11.063 -0.853 213 1HH1 ARG 26 1HH2 ARG 26 -6.786 -10.113 2.276 214 2HH1 ARG 26 2HH2 ARG 26 -8.339 -9.897 3.001 215 1HH2 ARG 26 2HH1 ARG 26 -10.140 -10.772 0.141 216 2HH2 ARG 26 1HH1 ARG 26 -10.238 -10.286 1.798 217 H GLN 27 H GLN 27 -3.875 -9.799 -3.212 218 HA GLN 27 HA GLN 27 -5.817 -10.414 -5.240 219 1HB GLN 27 2HB GLN 27 -4.448 -7.745 -4.652 220 2HB GLN 27 1HB GLN 27 -5.836 -7.941 -5.694 221 1HG GLN 27 2HG GLN 27 -7.127 -8.907 -3.704 222 2HG GLN 27 1HG GLN 27 -5.761 -8.528 -2.695 223 1HE2 GLN 27 2HE2 GLN 27 -6.391 -4.861 -3.604 224 2HE2 GLN 27 1HE2 GLN 27 -5.189 -5.975 -4.142 225 H LEU 28 H LEU 28 -2.332 -9.180 -5.495 226 HA LEU 28 HA LEU 28 -2.679 -9.247 -8.335 227 1HB LEU 28 2HB LEU 28 -0.224 -8.780 -6.690 228 2HB LEU 28 1HB LEU 28 -0.312 -8.541 -8.435 229 HG LEU 28 HG LEU 28 -2.055 -7.182 -6.401 230 1HD1 LEU 28 1HD1 LEU 28 0.382 -6.504 -6.441 231 2HD1 LEU 28 3HD1 LEU 28 0.167 -6.026 -8.119 232 3HD1 LEU 28 2HD1 LEU 28 -0.710 -5.182 -6.840 233 1HD2 LEU 28 2HD2 LEU 28 -2.057 -7.156 -9.415 234 2HD2 LEU 28 1HD2 LEU 28 -3.408 -7.249 -8.319 235 3HD2 LEU 28 3HD2 LEU 28 -2.589 -5.717 -8.549 236 H LEU 29 H LEU 29 -1.365 -11.579 -5.926 237 HA LEU 29 HA LEU 29 -0.172 -13.247 -7.856 238 1HB LEU 29 2HB LEU 29 -1.258 -13.783 -5.072 239 2HB LEU 29 1HB LEU 29 -0.331 -14.951 -5.967 240 HG LEU 29 HG LEU 29 0.775 -12.153 -5.387 241 1HD1 LEU 29 3HD1 LEU 29 0.171 -13.272 -3.283 242 2HD1 LEU 29 1HD1 LEU 29 1.172 -14.655 -3.715 243 3HD1 LEU 29 2HD1 LEU 29 1.912 -13.067 -3.461 244 1HD2 LEU 29 3HD2 LEU 29 2.119 -14.806 -6.185 245 2HD2 LEU 29 2HD2 LEU 29 1.961 -13.377 -7.200 246 3HD2 LEU 29 1HD2 LEU 29 2.923 -13.299 -5.732 247 H ALA 30 H ALA 30 -3.499 -12.565 -7.157 248 HA ALA 30 HA ALA 30 -4.720 -15.017 -7.591 249 1HB ALA 30 1HB ALA 30 -5.973 -12.891 -7.027 250 2HB ALA 30 3HB ALA 30 -5.694 -12.293 -8.663 251 3HB ALA 30 2HB ALA 30 -6.707 -13.700 -8.412 252 HA PRO 31 HA PRO 31 -3.504 -15.967 -11.773 253 1HB PRO 31 2HB PRO 31 -5.355 -17.933 -12.398 254 2HB PRO 31 1HB PRO 31 -4.020 -18.151 -11.275 255 1HG PRO 31 2HG PRO 31 -6.861 -17.447 -10.579 256 2HG PRO 31 1HG PRO 31 -5.842 -18.691 -9.821 257 1HD PRO 31 1HD PRO 31 -6.183 -16.253 -8.687 258 2HD PRO 31 2HD PRO 31 -4.603 -17.081 -8.612 259 H MET 32 H MET 32 -6.325 -14.200 -11.007 260 HA MET 32 HA MET 32 -7.657 -14.235 -13.461 261 1HB MET 32 2HB MET 32 -7.633 -12.713 -10.842 262 2HB MET 32 1HB MET 32 -8.596 -12.111 -12.130 263 1HG MET 32 2HG MET 32 -9.618 -14.469 -12.357 264 2HG MET 32 1HG MET 32 -8.849 -14.867 -10.840 265 1HE MET 32 1HE MET 32 -9.473 -13.855 -8.590 266 2HE MET 32 3HE MET 32 -11.208 -13.658 -8.284 267 3HE MET 32 2HE MET 32 -10.587 -15.142 -9.045 268 H ASN 33 H ASN 33 -4.922 -12.450 -12.208 269 HA ASN 33 HA ASN 33 -4.692 -11.075 -14.816 270 1HB ASN 33 2HB ASN 33 -4.345 -9.584 -12.125 271 2HB ASN 33 1HB ASN 33 -3.961 -8.947 -13.710 272 1HD2 ASN 33 2HD2 ASN 33 -7.850 -9.156 -12.471 273 2HD2 ASN 33 1HD2 ASN 33 -6.630 -10.069 -11.649 274 H LYS 34 H LYS 34 -2.564 -9.909 -14.966 275 HA LYS 34 HA LYS 34 -0.406 -11.478 -13.722 276 1HB LYS 34 2HB LYS 34 0.762 -11.508 -16.018 277 2HB LYS 34 1HB LYS 34 -0.535 -12.615 -15.747 278 1HG LYS 34 2HG LYS 34 -0.596 -11.542 -17.986 279 2HG LYS 34 1HG LYS 34 -2.073 -11.364 -17.083 280 1HD LYS 34 2HD LYS 34 -1.613 -9.104 -16.541 281 2HD LYS 34 1HD LYS 34 0.029 -9.137 -17.138 282 1HE LYS 34 1HE LYS 34 -2.484 -9.460 -18.867 283 2HE LYS 34 2HE LYS 34 -1.576 -7.970 -18.688 284 1HZ LYS 34 2HZ LYS 34 0.333 -9.017 -19.623 285 2HZ LYS 34 1HZ LYS 34 -0.526 -10.467 -19.822 286 3HZ LYS 34 3HZ LYS 34 -1.004 -9.072 -20.667 287 H ALA 35 H ALA 35 1.800 -10.502 -14.239 288 HA ALA 35 HA ALA 35 2.413 -8.272 -13.121 289 1HB ALA 35 1HB ALA 35 4.066 -9.758 -14.264 290 2HB ALA 35 3HB ALA 35 3.606 -9.102 -15.828 291 3HB ALA 35 2HB ALA 35 4.395 -8.072 -14.634 292 H GLY 36 H GLY 36 1.677 -6.326 -13.097 293 1HA GLY 36 2HA GLY 36 1.691 -4.253 -14.173 294 2HA GLY 36 1HA GLY 36 0.846 -4.916 -15.585 295 H SER 37 H SER 37 -0.805 -6.537 -13.722 296 HA SER 37 HA SER 37 -2.707 -4.722 -12.683 297 1HB SER 37 2HB SER 37 -3.416 -6.787 -11.250 298 2HB SER 37 1HB SER 37 -3.610 -6.961 -12.896 299 HG SER 37 HG SER 37 -1.014 -8.199 -12.394 300 H PHE 38 H PHE 38 -2.432 -3.360 -11.098 301 HA PHE 38 HA PHE 38 -0.337 -3.909 -9.039 302 1HB PHE 38 2HB PHE 38 -1.179 -1.334 -10.547 303 2HB PHE 38 1HB PHE 38 -0.375 -1.211 -9.031 304 HD1 PHE 38 HD2 PHE 38 0.763 -3.726 -11.602 305 HD2 PHE 38 HD1 PHE 38 1.340 0.103 -9.852 306 HE1 PHE 38 HE2 PHE 38 2.930 -3.475 -12.750 307 HE2 PHE 38 HE1 PHE 38 3.607 0.205 -10.787 308 HZ PHE 38 HZ PHE 38 4.389 -1.596 -12.282 309 H LEU 39 H LEU 39 -0.603 -2.324 -7.302 310 HA LEU 39 HA LEU 39 -3.246 -1.715 -6.067 311 1HB LEU 39 2HB LEU 39 -0.840 -3.337 -5.103 312 2HB LEU 39 1HB LEU 39 -1.632 -2.381 -3.898 313 HG LEU 39 HG LEU 39 -2.061 -4.844 -4.101 314 1HD1 LEU 39 3HD1 LEU 39 -3.098 -3.037 -2.663 315 2HD1 LEU 39 2HD1 LEU 39 -4.389 -2.931 -3.841 316 3HD1 LEU 39 1HD1 LEU 39 -4.150 -4.431 -2.925 317 1HD2 LEU 39 3HD2 LEU 39 -2.795 -4.893 -6.511 318 2HD2 LEU 39 2HD2 LEU 39 -3.889 -5.638 -5.372 319 3HD2 LEU 39 1HD2 LEU 39 -4.269 -4.038 -6.046 320 H ILE 40 H ILE 40 -2.922 0.653 -5.401 321 HA ILE 40 HA ILE 40 0.000 1.189 -4.719 322 HB ILE 40 HB ILE 40 -1.410 2.399 -6.811 323 1HG1 ILE 40 1HG1 ILE 40 0.414 4.346 -5.361 324 2HG1 ILE 40 2HG1 ILE 40 1.068 2.769 -5.663 325 1HG2 ILE 40 2HG2 ILE 40 -2.955 3.516 -5.088 326 2HG2 ILE 40 1HG2 ILE 40 -1.511 4.383 -4.503 327 3HG2 ILE 40 3HG2 ILE 40 -2.065 4.615 -6.142 328 1HD1 ILE 40 1HD1 ILE 40 0.330 3.009 -8.170 329 2HD1 ILE 40 3HD1 ILE 40 0.079 4.675 -7.819 330 3HD1 ILE 40 2HD1 ILE 40 1.671 3.992 -7.578 331 H ARG 41 H ARG 41 -0.339 0.210 -2.742 332 HA ARG 41 HA ARG 41 -2.580 0.942 -1.160 333 1HB ARG 41 2HB ARG 41 -1.918 -0.591 0.330 334 2HB ARG 41 1HB ARG 41 -1.265 -1.245 -1.118 335 1HG ARG 41 2HG ARG 41 0.982 -0.848 -0.395 336 2HG ARG 41 1HG ARG 41 0.535 0.412 0.714 337 1HD ARG 41 2HD ARG 41 -0.681 -1.218 2.145 338 2HD ARG 41 1HD ARG 41 -0.088 -2.546 1.115 339 HE ARG 41 HE ARG 41 2.201 -1.211 1.738 340 1HH1 ARG 41 1HH2 ARG 41 -0.470 -2.447 3.659 341 2HH1 ARG 41 2HH2 ARG 41 0.461 -2.608 5.113 342 1HH2 ARG 41 2HH1 ARG 41 3.443 -1.492 3.648 343 2HH2 ARG 41 1HH1 ARG 41 2.688 -2.088 5.086 344 H GLU 42 H GLU 42 -2.826 2.428 0.512 345 HA GLU 42 HA GLU 42 -0.821 4.512 0.593 346 1HB GLU 42 2HB GLU 42 -2.236 5.744 2.063 347 2HB GLU 42 1HB GLU 42 -3.362 4.839 1.072 348 1HG GLU 42 2HG GLU 42 -3.609 3.238 2.814 349 2HG GLU 42 1HG GLU 42 -2.554 4.107 3.934 350 H SER 43 H SER 43 0.377 5.205 2.533 351 HA SER 43 HA SER 43 1.331 2.777 3.933 352 1HB SER 43 2HB SER 43 2.787 4.335 2.527 353 2HB SER 43 1HB SER 43 2.416 5.637 3.430 354 HG SER 43 HG SER 43 3.873 4.004 5.338 355 H GLU 44 H GLU 44 0.048 2.488 5.645 356 HA GLU 44 HA GLU 44 -1.473 4.462 6.844 357 1HB GLU 44 2HB GLU 44 -1.910 2.745 8.627 358 2HB GLU 44 1HB GLU 44 -2.106 2.277 6.968 359 1HG GLU 44 2HG GLU 44 0.240 1.173 7.057 360 2HG GLU 44 1HG GLU 44 0.272 1.540 8.759 361 H SER 45 H SER 45 1.841 3.816 7.392 362 HA SER 45 HA SER 45 2.144 4.829 10.040 363 1HB SER 45 2HB SER 45 4.560 4.888 9.386 364 2HB SER 45 1HB SER 45 3.798 3.443 8.948 365 HG SER 45 HG SER 45 3.834 5.218 6.544 366 H ASN 46 H ASN 46 2.062 6.277 6.809 367 HA ASN 46 HA ASN 46 2.036 9.014 7.765 368 1HB ASN 46 2HB ASN 46 3.333 9.349 5.472 369 2HB ASN 46 1HB ASN 46 4.166 9.012 6.883 370 1HD2 ASN 46 2HD2 ASN 46 5.977 6.659 5.197 371 2HD2 ASN 46 1HD2 ASN 46 5.987 8.238 5.896 372 H LYS 47 H LYS 47 0.253 9.831 7.259 373 HA LYS 47 HA LYS 47 -1.448 8.788 5.193 374 1HB LYS 47 2HB LYS 47 -3.014 10.680 5.778 375 2HB LYS 47 1HB LYS 47 -2.697 9.487 7.000 376 1HG LYS 47 2HG LYS 47 -0.850 11.794 6.885 377 2HG LYS 47 1HG LYS 47 -2.460 12.173 7.443 378 1HD LYS 47 2HD LYS 47 -1.018 9.803 8.679 379 2HD LYS 47 1HD LYS 47 -0.516 11.410 9.142 380 1HE LYS 47 1HE LYS 47 -2.159 10.653 10.768 381 2HE LYS 47 2HE LYS 47 -2.897 11.941 9.831 382 1HZ LYS 47 2HZ LYS 47 -3.986 10.281 8.500 383 2HZ LYS 47 1HZ LYS 47 -3.289 9.050 9.434 384 3HZ LYS 47 3HZ LYS 47 -4.387 10.137 10.145 385 H GLY 48 H GLY 48 1.217 10.390 4.860 386 1HA GLY 48 2HA GLY 48 0.415 11.903 2.479 387 2HA GLY 48 1HA GLY 48 1.701 12.442 3.637 388 H ALA 49 H ALA 49 1.412 9.064 3.151 389 HA ALA 49 HA ALA 49 3.314 8.976 0.886 390 1HB ALA 49 1HB ALA 49 4.129 8.729 3.614 391 2HB ALA 49 3HB ALA 49 3.949 7.047 3.073 392 3HB ALA 49 2HB ALA 49 5.037 8.115 2.224 393 H PHE 50 H PHE 50 3.592 6.779 -0.063 394 HA PHE 50 HA PHE 50 1.378 4.903 0.466 395 1HB PHE 50 2HB PHE 50 1.860 6.013 -2.416 396 2HB PHE 50 1HB PHE 50 0.788 4.741 -1.989 397 HD1 PHE 50 HD2 PHE 50 1.404 8.364 -1.188 398 HD2 PHE 50 HD1 PHE 50 -1.433 5.180 -1.571 399 HE1 PHE 50 HE2 PHE 50 -0.423 9.951 -0.832 400 HE2 PHE 50 HE1 PHE 50 -3.264 6.778 -1.231 401 HZ PHE 50 HZ PHE 50 -2.766 9.175 -0.866 402 H SER 51 H SER 51 1.739 3.181 -1.546 403 HA SER 51 HA SER 51 4.441 2.449 -2.081 404 1HB SER 51 2HB SER 51 2.647 0.535 -0.407 405 2HB SER 51 1HB SER 51 4.161 0.096 -0.995 406 HG SER 51 HG SER 51 4.618 2.234 1.015 407 H LEU 52 H LEU 52 4.330 0.103 -3.125 408 HA LEU 52 HA LEU 52 1.796 -0.214 -4.580 409 1HB LEU 52 2HB LEU 52 3.254 1.689 -5.598 410 2HB LEU 52 1HB LEU 52 4.545 0.575 -5.821 411 HG LEU 52 HG LEU 52 3.310 -0.549 -7.625 412 1HD1 LEU 52 3HD1 LEU 52 1.021 0.856 -6.450 413 2HD1 LEU 52 2HD1 LEU 52 1.046 1.054 -8.149 414 3HD1 LEU 52 1HD1 LEU 52 1.052 -0.577 -7.472 415 1HD2 LEU 52 3HD2 LEU 52 3.370 2.514 -7.802 416 2HD2 LEU 52 2HD2 LEU 52 4.614 1.378 -8.329 417 3HD2 LEU 52 1HD2 LEU 52 3.069 1.508 -9.185 418 H SER 53 H SER 53 1.438 -2.135 -5.253 419 HA SER 53 HA SER 53 3.527 -4.267 -5.068 420 1HB SER 53 2HB SER 53 0.582 -4.987 -4.923 421 2HB SER 53 1HB SER 53 1.916 -5.740 -4.280 422 HG SER 53 HG SER 53 1.415 -3.225 -2.706 423 H VAL 54 H VAL 54 3.776 -5.501 -6.790 424 HA VAL 54 HA VAL 54 1.899 -5.268 -9.108 425 HB VAL 54 HB VAL 54 4.936 -4.941 -9.342 426 1HG1 VAL 54 1HG1 VAL 54 2.888 -5.163 -11.484 427 2HG1 VAL 54 3HG1 VAL 54 4.523 -4.456 -11.704 428 3HG1 VAL 54 2HG1 VAL 54 4.311 -6.110 -11.226 429 1HG2 VAL 54 3HG2 VAL 54 2.813 -2.878 -9.407 430 2HG2 VAL 54 2HG2 VAL 54 4.063 -2.991 -8.256 431 3HG2 VAL 54 1HG2 VAL 54 4.531 -2.640 -9.881 432 H LYS 55 H LYS 55 1.935 -7.319 -10.445 433 HA LYS 55 HA LYS 55 2.929 -9.512 -8.814 434 1HB LYS 55 2HB LYS 55 0.833 -9.435 -10.055 435 2HB LYS 55 1HB LYS 55 1.738 -9.576 -11.557 436 1HG LYS 55 2HG LYS 55 2.664 -11.781 -10.643 437 2HG LYS 55 1HG LYS 55 1.576 -11.584 -9.275 438 1HD LYS 55 2HD LYS 55 -0.334 -11.328 -10.996 439 2HD LYS 55 1HD LYS 55 0.820 -11.784 -12.188 440 1HE LYS 55 1HE LYS 55 0.956 -14.012 -11.480 441 2HE LYS 55 2HE LYS 55 0.522 -13.628 -9.826 442 1HZ LYS 55 3HZ LYS 55 -1.330 -13.609 -12.105 443 2HZ LYS 55 2HZ LYS 55 -1.171 -14.801 -10.896 444 3HZ LYS 55 1HZ LYS 55 -1.722 -13.243 -10.501 445 H ASP 56 H ASP 56 5.349 -10.058 -8.832 446 HA ASP 56 HA ASP 56 6.619 -9.665 -11.424 447 1HB ASP 56 2HB ASP 56 7.931 -9.213 -9.356 448 2HB ASP 56 1HB ASP 56 7.808 -10.825 -8.839 449 H ILE 57 H ILE 57 7.266 -11.235 -12.833 450 HA ILE 57 HA ILE 57 6.314 -13.987 -12.243 451 HB ILE 57 HB ILE 57 5.649 -12.521 -14.807 452 1HG1 ILE 57 1HG1 ILE 57 3.971 -13.246 -12.370 453 2HG1 ILE 57 2HG1 ILE 57 4.171 -11.676 -13.111 454 1HG2 ILE 57 2HG2 ILE 57 6.101 -14.965 -15.154 455 2HG2 ILE 57 1HG2 ILE 57 4.913 -15.355 -13.915 456 3HG2 ILE 57 3HG2 ILE 57 4.422 -14.593 -15.428 457 1HD1 ILE 57 3HD1 ILE 57 2.983 -12.679 -15.191 458 2HD1 ILE 57 2HD1 ILE 57 2.569 -14.038 -14.120 459 3HD1 ILE 57 1HD1 ILE 57 2.002 -12.412 -13.761 460 H THR 58 H THR 58 7.701 -15.399 -12.573 461 HA THR 58 HA THR 58 9.813 -15.110 -14.613 462 HB THR 58 HB THR 58 10.831 -14.459 -12.540 463 HG1 THR 58 HG1 THR 58 11.851 -17.199 -13.120 464 1HG2 THR 58 3HG2 THR 58 9.517 -16.799 -11.054 465 2HG2 THR 58 2HG2 THR 58 10.790 -15.773 -10.390 466 3HG2 THR 58 1HG2 THR 58 9.285 -15.084 -10.892 467 H THR 59 H THR 59 10.957 -17.223 -14.966 468 HA THR 59 HA THR 59 8.874 -19.188 -15.390 469 HB THR 59 HB THR 59 10.378 -19.009 -17.114 470 HG1 THR 59 HG1 THR 59 10.843 -21.719 -15.927 471 1HG2 THR 59 1HG2 THR 59 12.844 -19.368 -15.287 472 2HG2 THR 59 3HG2 THR 59 12.855 -19.404 -17.036 473 3HG2 THR 59 2HG2 THR 59 12.301 -17.988 -16.245 474 H GLN 60 H GLN 60 10.439 -18.494 -12.610 475 HA GLN 60 HA GLN 60 10.423 -21.382 -11.782 476 1HB GLN 60 2HB GLN 60 12.144 -19.188 -10.612 477 2HB GLN 60 1HB GLN 60 12.038 -20.803 -10.030 478 1HG GLN 60 2HG GLN 60 12.919 -21.773 -12.090 479 2HG GLN 60 1HG GLN 60 12.909 -20.261 -12.930 480 1HE2 GLN 60 2HE2 GLN 60 16.013 -21.339 -10.594 481 2HE2 GLN 60 1HE2 GLN 60 14.653 -22.352 -10.949 482 H GLY 61 H GLY 61 8.434 -18.771 -11.627 483 1HA GLY 61 2HA GLY 61 6.668 -19.805 -9.885 484 2HA GLY 61 1HA GLY 61 7.823 -18.988 -8.768 485 H GLU 62 H GLU 62 5.011 -18.430 -8.999 486 HA GLU 62 HA GLU 62 4.852 -15.848 -10.262 487 1HB GLU 62 2HB GLU 62 3.182 -17.975 -10.069 488 2HB GLU 62 1HB GLU 62 2.732 -17.242 -8.540 489 1HG GLU 62 2HG GLU 62 2.065 -15.192 -9.643 490 2HG GLU 62 1HG GLU 62 2.742 -15.733 -11.175 491 H VAL 63 H VAL 63 4.967 -13.893 -9.094 492 HA VAL 63 HA VAL 63 4.834 -13.947 -6.186 493 HB VAL 63 HB VAL 63 7.042 -14.676 -6.543 494 1HG1 VAL 63 3HG1 VAL 63 7.255 -12.703 -8.796 495 2HG1 VAL 63 2HG1 VAL 63 8.704 -13.333 -8.031 496 3HG1 VAL 63 1HG1 VAL 63 7.564 -14.417 -8.812 497 1HG2 VAL 63 3HG2 VAL 63 6.873 -12.741 -4.887 498 2HG2 VAL 63 2HG2 VAL 63 8.472 -13.035 -5.554 499 3HG2 VAL 63 1HG2 VAL 63 7.530 -11.703 -6.162 500 H VAL 64 H VAL 64 5.544 -11.482 -5.593 501 HA VAL 64 HA VAL 64 4.301 -9.551 -7.435 502 HB VAL 64 HB VAL 64 3.505 -10.277 -4.662 503 1HG1 VAL 64 3HG1 VAL 64 3.095 -7.509 -5.835 504 2HG1 VAL 64 2HG1 VAL 64 2.135 -8.189 -4.553 505 3HG1 VAL 64 1HG1 VAL 64 3.860 -7.859 -4.251 506 1HG2 VAL 64 1HG2 VAL 64 2.175 -10.887 -6.790 507 2HG2 VAL 64 3HG2 VAL 64 1.290 -9.981 -5.543 508 3HG2 VAL 64 2HG2 VAL 64 1.899 -9.132 -6.936 509 H LYS 65 H LYS 65 4.927 -7.276 -6.100 510 HA LYS 65 HA LYS 65 7.690 -7.383 -5.304 511 1HB LYS 65 2HB LYS 65 7.263 -5.109 -7.223 512 2HB LYS 65 1HB LYS 65 8.723 -5.633 -6.486 513 1HG LYS 65 2HG LYS 65 8.869 -6.271 -8.732 514 2HG LYS 65 1HG LYS 65 8.596 -7.761 -7.865 515 1HD LYS 65 2HD LYS 65 6.465 -7.967 -8.496 516 2HD LYS 65 1HD LYS 65 6.141 -6.299 -8.529 517 1HE LYS 65 1HE LYS 65 7.786 -7.639 -10.771 518 2HE LYS 65 2HE LYS 65 6.045 -7.466 -10.848 519 1HZ LYS 65 2HZ LYS 65 6.338 -5.100 -10.655 520 2HZ LYS 65 1HZ LYS 65 8.021 -5.331 -10.727 521 3HZ LYS 65 3HZ LYS 65 7.054 -5.789 -12.043 522 H HIS 66 H HIS 66 8.326 -4.894 -4.874 523 HA HIS 66 HA HIS 66 6.140 -3.437 -3.521 524 1HB HIS 66 2HB HIS 66 8.874 -4.131 -2.229 525 2HB HIS 66 1HB HIS 66 7.609 -3.198 -1.479 526 HD1 HIS 66 HD1 HIS 66 5.237 -5.300 -2.195 527 HD2 HIS 66 HD2 HIS 66 8.987 -6.174 -0.531 528 HE1 HIS 66 HE1 HIS 66 5.028 -7.514 -0.945 529 H TYR 67 H TYR 67 6.399 -1.246 -3.713 530 HA TYR 67 HA TYR 67 9.064 -0.050 -4.247 531 1HB TYR 67 2HB TYR 67 6.641 0.866 -5.898 532 2HB TYR 67 1HB TYR 67 8.303 1.322 -6.106 533 HD1 TYR 67 HD2 TYR 67 5.850 -1.342 -6.466 534 HD2 TYR 67 HD1 TYR 67 9.764 -0.041 -7.474 535 HE1 TYR 67 HE2 TYR 67 6.052 -3.259 -7.857 536 HE2 TYR 67 HE1 TYR 67 10.023 -1.894 -9.026 537 HH TYR 67 HH TYR 67 7.755 -3.646 -10.387 538 H LYS 68 H LYS 68 9.320 1.697 -2.927 539 HA LYS 68 HA LYS 68 6.933 2.572 -1.468 540 1HB LYS 68 2HB LYS 68 8.318 3.952 -0.075 541 2HB LYS 68 1HB LYS 68 8.774 2.275 -0.018 542 1HG LYS 68 2HG LYS 68 10.137 4.143 -1.946 543 2HG LYS 68 1HG LYS 68 10.594 4.202 -0.271 544 1HD LYS 68 2HD LYS 68 10.507 1.441 -1.394 545 2HD LYS 68 1HD LYS 68 11.659 2.484 -2.182 546 1HE LYS 68 1HE LYS 68 12.794 1.319 -0.344 547 2HE LYS 68 2HE LYS 68 12.701 3.031 0.050 548 1HZ LYS 68 2HZ LYS 68 10.761 2.545 1.391 549 2HZ LYS 68 1HZ LYS 68 10.948 0.894 1.062 550 3HZ LYS 68 3HZ LYS 68 12.158 1.727 1.917 551 H ILE 69 H ILE 69 6.087 4.350 -1.455 552 HA ILE 69 HA ILE 69 6.812 6.482 -3.249 553 HB ILE 69 HB ILE 69 4.195 6.813 -3.477 554 1HG1 ILE 69 1HG1 ILE 69 4.762 3.909 -3.801 555 2HG1 ILE 69 2HG1 ILE 69 3.454 4.729 -2.999 556 1HG2 ILE 69 3HG2 ILE 69 5.663 7.719 -4.982 557 2HG2 ILE 69 2HG2 ILE 69 6.123 6.148 -5.633 558 3HG2 ILE 69 1HG2 ILE 69 4.476 6.792 -5.822 559 1HD1 ILE 69 2HD1 ILE 69 2.595 5.487 -5.215 560 2HD1 ILE 69 1HD1 ILE 69 3.954 4.651 -5.987 561 3HD1 ILE 69 3HD1 ILE 69 2.756 3.725 -5.105 562 H ARG 70 H ARG 70 6.119 8.302 -3.069 563 HA ARG 70 HA ARG 70 5.316 9.486 -0.473 564 1HB ARG 70 2HB ARG 70 7.835 9.851 -2.167 565 2HB ARG 70 1HB ARG 70 7.153 11.224 -1.361 566 1HG ARG 70 2HG ARG 70 7.140 9.370 0.710 567 2HG ARG 70 1HG ARG 70 8.583 8.913 -0.146 568 1HD ARG 70 2HD ARG 70 9.248 11.410 -0.185 569 2HD ARG 70 1HD ARG 70 7.767 11.677 0.763 570 HE ARG 70 HE ARG 70 9.540 9.731 1.975 571 1HH1 ARG 70 1HH2 ARG 70 8.850 13.158 1.525 572 2HH1 ARG 70 2HH2 ARG 70 9.650 13.660 2.977 573 1HH2 ARG 70 2HH1 ARG 70 10.597 10.414 3.896 574 2HH2 ARG 70 1HH1 ARG 70 10.644 12.090 4.328 575 H SER 71 H SER 71 4.460 11.448 -0.691 576 HA SER 71 HA SER 71 3.569 12.238 -3.396 577 1HB SER 71 2HB SER 71 1.595 13.263 -2.199 578 2HB SER 71 1HB SER 71 1.624 11.570 -2.078 579 HG SER 71 HG SER 71 2.879 12.524 0.406 580 H LEU 72 H LEU 72 4.698 14.096 -4.022 581 HA LEU 72 HA LEU 72 5.934 15.690 -1.910 582 1HB LEU 72 2HB LEU 72 6.509 15.829 -4.890 583 2HB LEU 72 1HB LEU 72 7.532 16.300 -3.572 584 HG LEU 72 HG LEU 72 8.434 14.415 -4.355 585 1HD1 LEU 72 3HD1 LEU 72 8.149 14.584 -1.867 586 2HD1 LEU 72 2HD1 LEU 72 6.867 13.409 -1.944 587 3HD1 LEU 72 1HD1 LEU 72 8.476 12.942 -2.418 588 1HD2 LEU 72 1HD2 LEU 72 5.978 13.739 -5.417 589 2HD2 LEU 72 3HD2 LEU 72 7.370 12.716 -5.481 590 3HD2 LEU 72 2HD2 LEU 72 6.205 12.485 -4.179 591 H ASP 73 H ASP 73 5.633 17.675 -1.704 592 HA ASP 73 HA ASP 73 3.180 18.896 -2.606 593 1HB ASP 73 2HB ASP 73 4.113 20.994 -1.476 594 2HB ASP 73 1HB ASP 73 4.047 19.588 -0.434 595 H ASN 74 H ASN 74 6.493 19.024 -3.578 596 HA ASN 74 HA ASN 74 5.888 20.959 -5.736 597 1HB ASN 74 2HB ASN 74 8.378 21.324 -5.736 598 2HB ASN 74 1HB ASN 74 7.679 21.585 -4.152 599 1HD2 ASN 74 2HD2 ASN 74 10.261 18.463 -4.882 600 2HD2 ASN 74 1HD2 ASN 74 9.515 19.342 -6.171 601 H GLY 75 H GLY 75 5.847 17.756 -5.449 602 1HA GLY 75 2HA GLY 75 6.558 17.401 -8.307 603 2HA GLY 75 1HA GLY 75 7.634 16.565 -7.146 604 H GLY 76 H GLY 76 4.179 16.812 -6.570 605 1HA GLY 76 2HA GLY 76 2.445 15.386 -6.681 606 2HA GLY 76 1HA GLY 76 3.263 14.669 -8.087 607 H TYR 77 H TYR 77 4.700 12.953 -7.934 608 HA TYR 77 HA TYR 77 4.841 11.548 -5.431 609 1HB TYR 77 2HB TYR 77 3.412 10.043 -7.708 610 2HB TYR 77 1HB TYR 77 4.007 9.334 -6.250 611 HD1 TYR 77 HD2 TYR 77 1.705 11.901 -7.447 612 HD2 TYR 77 HD1 TYR 77 2.654 9.212 -4.324 613 HE1 TYR 77 HE2 TYR 77 -0.441 12.403 -6.501 614 HE2 TYR 77 HE1 TYR 77 0.546 9.581 -3.294 615 HH TYR 77 HH TYR 77 -1.368 12.026 -3.521 616 H TYR 78 H TYR 78 6.309 9.923 -5.453 617 HA TYR 78 HA TYR 78 7.737 9.394 -7.975 618 1HB TYR 78 2HB TYR 78 9.783 10.307 -7.486 619 2HB TYR 78 1HB TYR 78 8.759 11.529 -6.822 620 HD1 TYR 78 HD1 TYR 78 10.895 8.629 -6.064 621 HD2 TYR 78 HD2 TYR 78 9.051 12.128 -4.382 622 HE1 TYR 78 HE1 TYR 78 12.132 8.258 -4.131 623 HE2 TYR 78 HE2 TYR 78 10.316 11.852 -2.408 624 HH TYR 78 HH TYR 78 11.601 9.229 -1.235 625 H ILE 79 H ILE 79 8.463 7.445 -8.143 626 HA ILE 79 HA ILE 79 8.410 5.716 -5.722 627 HB ILE 79 HB ILE 79 8.791 3.804 -7.500 628 1HG1 ILE 79 1HG1 ILE 79 7.013 5.791 -8.919 629 2HG1 ILE 79 2HG1 ILE 79 8.517 5.145 -9.522 630 1HG2 ILE 79 2HG2 ILE 79 7.121 3.828 -5.631 631 2HG2 ILE 79 1HG2 ILE 79 5.962 4.402 -6.846 632 3HG2 ILE 79 3HG2 ILE 79 6.803 2.872 -7.057 633 1HD1 ILE 79 1HD1 ILE 79 7.193 2.787 -9.114 634 2HD1 ILE 79 3HD1 ILE 79 5.783 3.849 -9.310 635 3HD1 ILE 79 2HD1 ILE 79 7.005 3.673 -10.561 636 H SER 80 H SER 80 10.363 5.856 -8.712 637 HA SER 80 HA SER 80 12.738 5.446 -6.982 638 1HB SER 80 2HB SER 80 13.128 6.064 -9.928 639 2HB SER 80 1HB SER 80 13.988 5.044 -8.923 640 HG SER 80 HG SER 80 11.386 3.710 -9.530 641 HA PRO 81 HA PRO 81 12.858 9.893 -6.597 642 1HB PRO 81 2HB PRO 81 15.802 9.820 -6.285 643 2HB PRO 81 1HB PRO 81 14.539 10.301 -5.121 644 1HG PRO 81 2HG PRO 81 15.975 7.968 -4.858 645 2HG PRO 81 1HG PRO 81 14.307 8.140 -4.310 646 1HD PRO 81 1HD PRO 81 15.287 6.808 -6.798 647 2HD PRO 81 2HD PRO 81 13.974 6.353 -5.679 648 H ARG 82 H ARG 82 14.552 8.301 -9.004 649 HA ARG 82 HA ARG 82 15.505 10.708 -10.345 650 1HB ARG 82 2HB ARG 82 16.120 9.140 -12.244 651 2HB ARG 82 1HB ARG 82 16.977 8.983 -10.755 652 1HG ARG 82 2HG ARG 82 14.575 7.196 -11.237 653 2HG ARG 82 1HG ARG 82 16.067 6.851 -12.056 654 1HD ARG 82 2HD ARG 82 15.853 7.093 -9.016 655 2HD ARG 82 1HD ARG 82 15.884 5.585 -9.915 656 HE ARG 82 HE ARG 82 18.129 6.005 -10.546 657 1HH1 ARG 82 1HH2 ARG 82 16.891 8.352 -8.198 658 2HH1 ARG 82 2HH2 ARG 82 18.467 8.849 -7.691 659 1HH2 ARG 82 2HH1 ARG 82 20.168 6.681 -9.831 660 2HH2 ARG 82 1HH1 ARG 82 20.313 7.900 -8.612 661 H ILE 83 H ILE 83 12.662 8.765 -10.222 662 HA ILE 83 HA ILE 83 11.480 10.222 -12.488 663 HB ILE 83 HB ILE 83 10.199 8.496 -13.129 664 1HG1 ILE 83 1HG1 ILE 83 11.393 6.865 -10.844 665 2HG1 ILE 83 2HG1 ILE 83 9.710 7.307 -11.028 666 1HG2 ILE 83 2HG2 ILE 83 12.544 8.753 -13.963 667 2HG2 ILE 83 1HG2 ILE 83 13.004 7.406 -12.917 668 3HG2 ILE 83 3HG2 ILE 83 11.817 7.184 -14.206 669 1HD1 ILE 83 2HD1 ILE 83 9.864 6.244 -13.355 670 2HD1 ILE 83 1HD1 ILE 83 11.299 5.426 -12.748 671 3HD1 ILE 83 3HD1 ILE 83 9.737 5.128 -11.971 672 H THR 84 H THR 84 10.276 11.559 -11.956 673 HA THR 84 HA THR 84 8.427 11.435 -9.613 674 HB THR 84 HB THR 84 9.380 14.074 -10.707 675 HG1 THR 84 HG1 THR 84 11.439 12.509 -9.193 676 1HG2 THR 84 1HG2 THR 84 8.517 13.238 -7.941 677 2HG2 THR 84 3HG2 THR 84 9.211 14.821 -8.316 678 3HG2 THR 84 2HG2 THR 84 7.794 14.263 -9.163 679 H PHE 85 H PHE 85 6.583 12.641 -9.860 680 HA PHE 85 HA PHE 85 5.607 13.159 -12.624 681 1HB PHE 85 2HB PHE 85 4.383 10.944 -10.841 682 2HB PHE 85 1HB PHE 85 3.677 11.470 -12.349 683 HD1 PHE 85 HD2 PHE 85 6.626 9.836 -10.825 684 HD2 PHE 85 HD1 PHE 85 4.574 10.676 -14.480 685 HE1 PHE 85 HE2 PHE 85 8.396 8.760 -12.045 686 HE2 PHE 85 HE1 PHE 85 6.235 9.325 -15.704 687 HZ PHE 85 HZ PHE 85 8.193 8.372 -14.501 688 HA PRO 86 HA PRO 86 3.301 16.231 -10.366 689 1HB PRO 86 2HB PRO 86 1.054 16.605 -11.988 690 2HB PRO 86 1HB PRO 86 2.677 17.151 -12.416 691 1HG PRO 86 2HG PRO 86 1.285 14.643 -13.326 692 2HG PRO 86 1HG PRO 86 2.219 15.774 -14.316 693 1HD PRO 86 1HD PRO 86 3.318 13.440 -13.434 694 2HD PRO 86 2HD PRO 86 4.291 14.912 -13.547 695 H THR 87 H THR 87 1.876 13.164 -11.035 696 HA THR 87 HA THR 87 0.541 13.139 -8.513 697 HB THR 87 HB THR 87 -1.240 14.206 -9.706 698 HG1 THR 87 HG1 THR 87 -2.125 11.437 -9.107 699 1HG2 THR 87 1HG2 THR 87 -0.930 12.225 -11.948 700 2HG2 THR 87 3HG2 THR 87 -2.298 13.358 -11.751 701 3HG2 THR 87 2HG2 THR 87 -0.658 13.948 -11.880 702 H LEU 88 H LEU 88 -0.744 10.850 -8.471 703 HA LEU 88 HA LEU 88 1.142 8.930 -9.435 704 1HB LEU 88 2HB LEU 88 -1.723 8.365 -8.523 705 2HB LEU 88 1HB LEU 88 -0.581 7.163 -8.961 706 HG LEU 88 HG LEU 88 -0.258 9.081 -6.650 707 1HD1 LEU 88 2HD1 LEU 88 -1.027 6.185 -6.898 708 2HD1 LEU 88 1HD1 LEU 88 -0.806 6.988 -5.339 709 3HD1 LEU 88 3HD1 LEU 88 -2.142 7.460 -6.419 710 1HD2 LEU 88 1HD2 LEU 88 1.291 6.562 -7.463 711 2HD2 LEU 88 3HD2 LEU 88 1.953 8.204 -7.459 712 3HD2 LEU 88 2HD2 LEU 88 1.508 7.404 -5.945 713 H GLN 89 H GLN 89 -1.837 10.377 -10.940 714 HA GLN 89 HA GLN 89 -2.099 7.874 -12.513 715 1HB GLN 89 2HB GLN 89 -3.581 9.197 -14.164 716 2HB GLN 89 1HB GLN 89 -4.088 8.379 -12.742 717 1HG GLN 89 2HG GLN 89 -5.276 10.283 -12.548 718 2HG GLN 89 1HG GLN 89 -3.956 10.719 -11.559 719 1HE2 GLN 89 2HE2 GLN 89 -2.556 12.705 -14.494 720 2HE2 GLN 89 1HE2 GLN 89 -2.046 11.295 -13.640 721 H ALA 90 H ALA 90 -0.180 10.641 -12.985 722 HA ALA 90 HA ALA 90 0.463 9.949 -15.739 723 1HB ALA 90 1HB ALA 90 1.987 11.709 -13.722 724 2HB ALA 90 3HB ALA 90 2.361 11.649 -15.446 725 3HB ALA 90 2HB ALA 90 0.811 12.279 -14.895 726 H LEU 91 H LEU 91 1.447 8.825 -12.686 727 HA LEU 91 HA LEU 91 3.931 7.581 -13.435 728 1HB LEU 91 2HB LEU 91 3.981 8.170 -11.268 729 2HB LEU 91 1HB LEU 91 2.315 8.076 -10.991 730 HG LEU 91 HG LEU 91 3.989 5.547 -11.101 731 1HD1 LEU 91 3HD1 LEU 91 5.018 7.149 -9.429 732 2HD1 LEU 91 2HD1 LEU 91 3.441 7.223 -8.630 733 3HD1 LEU 91 1HD1 LEU 91 4.328 5.712 -8.676 734 1HD2 LEU 91 3HD2 LEU 91 1.317 6.167 -9.816 735 2HD2 LEU 91 2HD2 LEU 91 1.717 5.010 -11.102 736 3HD2 LEU 91 1HD2 LEU 91 2.316 4.711 -9.502 737 H VAL 92 H VAL 92 0.605 6.648 -12.950 738 HA VAL 92 HA VAL 92 0.943 3.866 -13.541 739 HB VAL 92 HB VAL 92 -1.707 5.319 -13.591 740 1HG1 VAL 92 1HG1 VAL 92 -1.577 2.770 -13.594 741 2HG1 VAL 92 3HG1 VAL 92 -0.961 2.917 -11.905 742 3HG1 VAL 92 2HG1 VAL 92 -2.547 3.536 -12.328 743 1HG2 VAL 92 2HG2 VAL 92 -0.059 5.907 -11.361 744 2HG2 VAL 92 1HG2 VAL 92 -1.789 6.080 -11.483 745 3HG2 VAL 92 3HG2 VAL 92 -1.012 4.664 -10.797 746 H GLN 93 H GLN 93 0.685 6.695 -15.466 747 HA GLN 93 HA GLN 93 -0.758 5.526 -17.735 748 1HB GLN 93 2HB GLN 93 -0.991 7.534 -18.687 749 2HB GLN 93 1HB GLN 93 -0.926 8.028 -17.026 750 1HG GLN 93 2HG GLN 93 1.536 8.633 -17.379 751 2HG GLN 93 1HG GLN 93 1.334 8.273 -19.074 752 1HE2 GLN 93 2HE2 GLN 93 -1.210 11.013 -19.327 753 2HE2 GLN 93 1HE2 GLN 93 -1.284 9.295 -19.484 754 H HIS 94 H HIS 94 2.409 6.796 -16.853 755 HA HIS 94 HA HIS 94 3.782 6.242 -19.228 756 1HB HIS 94 2HB HIS 94 4.679 7.688 -17.387 757 2HB HIS 94 1HB HIS 94 4.793 6.313 -16.310 758 HD1 HIS 94 HD1 HIS 94 7.373 6.625 -16.123 759 HD2 HIS 94 HD2 HIS 94 6.049 5.854 -20.031 760 HE1 HIS 94 HE1 HIS 94 9.420 6.066 -17.520 761 H TYR 95 H TYR 95 3.177 4.330 -16.307 762 HA TYR 95 HA TYR 95 4.637 2.063 -17.374 763 1HB TYR 95 2HB TYR 95 2.814 2.001 -14.991 764 2HB TYR 95 1HB TYR 95 4.111 0.871 -15.399 765 HD1 TYR 95 HD1 TYR 95 6.085 3.303 -16.226 766 HD2 TYR 95 HD2 TYR 95 3.728 2.316 -12.791 767 HE1 TYR 95 HE1 TYR 95 7.471 4.692 -14.960 768 HE2 TYR 95 HE2 TYR 95 5.043 3.727 -11.450 769 HH TYR 95 HH TYR 95 6.698 6.231 -12.372 770 H SER 96 H SER 96 1.308 3.162 -17.627 771 HA SER 96 HA SER 96 0.262 0.559 -18.382 772 1HB SER 96 2HB SER 96 -0.597 3.299 -19.556 773 2HB SER 96 1HB SER 96 -1.461 1.865 -19.728 774 HG SER 96 HG SER 96 -1.488 2.605 -16.826 775 H LYS 97 H LYS 97 2.485 2.528 -19.955 776 HA LYS 97 HA LYS 97 2.269 0.889 -22.415 777 1HB LYS 97 2HB LYS 97 3.573 3.555 -21.688 778 2HB LYS 97 1HB LYS 97 4.137 2.686 -23.080 779 1HG LYS 97 2HG LYS 97 2.513 4.324 -23.775 780 2HG LYS 97 1HG LYS 97 1.912 2.724 -24.115 781 1HD LYS 97 2HD LYS 97 0.366 2.838 -22.194 782 2HD LYS 97 1HD LYS 97 1.089 4.337 -21.652 783 1HE LYS 97 1HE LYS 97 -1.042 4.787 -22.800 784 2HE LYS 97 2HE LYS 97 0.279 5.473 -23.740 785 1HZ LYS 97 1HZ LYS 97 -1.053 2.895 -24.256 786 2HZ LYS 97 3HZ LYS 97 -1.295 4.348 -25.104 787 3HZ LYS 97 2HZ LYS 97 0.212 3.565 -25.161 788 H LYS 98 H LYS 98 4.787 1.986 -20.056 789 HA LYS 98 HA LYS 98 6.241 -0.542 -20.189 790 1HB LYS 98 2HB LYS 98 6.774 0.965 -22.212 791 2HB LYS 98 1HB LYS 98 7.464 2.131 -21.121 792 1HG LYS 98 2HG LYS 98 8.327 -0.699 -20.793 793 2HG LYS 98 1HG LYS 98 8.794 0.045 -22.296 794 1HD LYS 98 2HD LYS 98 10.136 1.694 -21.247 795 2HD LYS 98 1HD LYS 98 9.344 1.520 -19.698 796 1HE LYS 98 1HE LYS 98 10.314 -0.595 -19.264 797 2HE LYS 98 2HE LYS 98 10.881 -0.798 -20.920 798 1HZ LYS 98 2HZ LYS 98 11.860 1.323 -19.119 799 2HZ LYS 98 1HZ LYS 98 12.663 -0.152 -19.421 800 3HZ LYS 98 3HZ LYS 98 12.401 0.968 -20.670 801 H GLY 99 H GLY 99 6.785 -0.914 -18.169 802 1HA GLY 99 2HA GLY 99 6.257 0.660 -15.972 803 2HA GLY 99 1HA GLY 99 7.357 -0.741 -15.984 804 H ASP 100 H ASP 100 9.360 0.218 -17.585 805 HA ASP 100 HA ASP 100 11.313 1.306 -17.473 806 1HB ASP 100 2HB ASP 100 9.502 3.165 -18.109 807 2HB ASP 100 1HB ASP 100 9.885 3.858 -16.569 808 H GLY 101 H GLY 101 11.650 -0.050 -15.757 809 1HA GLY 101 2HA GLY 101 13.356 -0.051 -13.984 810 2HA GLY 101 1HA GLY 101 12.619 1.449 -13.310 811 H LEU 102 H LEU 102 9.947 0.027 -13.939 812 HA LEU 102 HA LEU 102 9.565 -1.130 -11.347 813 1HB LEU 102 2HB LEU 102 7.956 -0.445 -13.809 814 2HB LEU 102 1HB LEU 102 7.160 -1.456 -12.704 815 HG LEU 102 HG LEU 102 6.852 1.086 -12.627 816 1HD1 LEU 102 2HD1 LEU 102 5.931 -0.597 -11.014 817 2HD1 LEU 102 1HD1 LEU 102 7.291 -0.252 -9.952 818 3HD1 LEU 102 3HD1 LEU 102 6.136 1.016 -10.355 819 1HD2 LEU 102 3HD2 LEU 102 9.483 0.979 -11.043 820 2HD2 LEU 102 2HD2 LEU 102 9.073 2.003 -12.434 821 3HD2 LEU 102 1HD2 LEU 102 8.336 2.237 -10.865 822 H CYS 103 H CYS 103 10.952 -2.390 -14.020 823 HA CYS 103 HA CYS 103 11.568 -4.303 -14.786 824 1HB CYS 103 2HB CYS 103 11.758 -6.225 -13.468 825 2HB CYS 103 1HB CYS 103 11.867 -4.886 -12.359 826 HG CYS 103 HG CYS 103 10.423 -7.160 -11.265 827 H GLN 104 H GLN 104 8.246 -3.665 -14.424 828 HA GLN 104 HA GLN 104 7.489 -5.489 -16.585 829 1HB GLN 104 2HB GLN 104 5.971 -4.886 -13.969 830 2HB GLN 104 1HB GLN 104 5.371 -5.896 -15.263 831 1HG GLN 104 2HG GLN 104 7.778 -6.549 -13.483 832 2HG GLN 104 1HG GLN 104 6.178 -7.232 -13.336 833 1HE2 GLN 104 2HE2 GLN 104 8.541 -9.485 -15.205 834 2HE2 GLN 104 1HE2 GLN 104 8.673 -8.607 -13.727 835 H LYS 105 H LYS 105 5.022 -4.234 -15.837 836 HA LYS 105 HA LYS 105 4.935 -1.425 -16.140 837 1HB LYS 105 2HB LYS 105 4.555 -1.155 -18.464 838 2HB LYS 105 1HB LYS 105 5.726 -2.452 -18.424 839 1HG LYS 105 2HG LYS 105 2.808 -3.299 -18.578 840 2HG LYS 105 1HG LYS 105 3.478 -2.504 -19.947 841 1HD LYS 105 2HD LYS 105 5.039 -4.740 -18.655 842 2HD LYS 105 1HD LYS 105 3.727 -5.098 -19.762 843 1HE LYS 105 1HE LYS 105 4.704 -3.901 -21.539 844 2HE LYS 105 2HE LYS 105 5.933 -3.126 -20.507 845 1HZ LYS 105 1HZ LYS 105 5.736 -6.014 -21.101 846 2HZ LYS 105 3HZ LYS 105 6.867 -4.937 -21.773 847 3HZ LYS 105 2HZ LYS 105 6.887 -5.274 -20.106 848 H LEU 106 H LEU 106 2.695 -0.687 -16.349 849 HA LEU 106 HA LEU 106 0.902 -2.397 -14.944 850 1HB LEU 106 2HB LEU 106 0.648 0.212 -16.459 851 2HB LEU 106 1HB LEU 106 -0.805 -0.448 -15.756 852 HG LEU 106 HG LEU 106 0.724 1.474 -14.637 853 1HD1 LEU 106 1HD1 LEU 106 -1.459 0.679 -13.734 854 2HD1 LEU 106 3HD1 LEU 106 -0.639 -0.689 -12.992 855 3HD1 LEU 106 2HD1 LEU 106 -0.233 0.942 -12.460 856 1HD2 LEU 106 1HD2 LEU 106 2.756 -0.173 -14.289 857 2HD2 LEU 106 3HD2 LEU 106 2.113 0.604 -12.866 858 3HD2 LEU 106 2HD2 LEU 106 1.615 -1.032 -13.334 859 H THR 107 H THR 107 -1.170 -3.177 -15.721 860 HA THR 107 HA THR 107 -1.474 -3.280 -18.679 861 HB THR 107 HB THR 107 -1.785 -5.614 -18.838 862 HG1 THR 107 HG1 THR 107 -2.007 -6.014 -15.945 863 1HG2 THR 107 3HG2 THR 107 0.898 -4.955 -17.559 864 2HG2 THR 107 2HG2 THR 107 0.513 -6.451 -18.384 865 3HG2 THR 107 1HG2 THR 107 0.426 -4.907 -19.211 866 H LEU 108 H LEU 108 -2.916 -4.908 -15.884 867 HA LEU 108 HA LEU 108 -5.483 -3.530 -16.564 868 1HB LEU 108 2HB LEU 108 -5.331 -6.488 -15.903 869 2HB LEU 108 1HB LEU 108 -6.725 -5.627 -16.393 870 HG LEU 108 HG LEU 108 -4.362 -5.887 -18.275 871 1HD1 LEU 108 3HD1 LEU 108 -6.609 -7.885 -17.949 872 2HD1 LEU 108 2HD1 LEU 108 -5.402 -7.877 -19.239 873 3HD1 LEU 108 1HD1 LEU 108 -4.902 -8.138 -17.570 874 1HD2 LEU 108 2HD2 LEU 108 -6.121 -4.200 -18.838 875 2HD2 LEU 108 1HD2 LEU 108 -6.086 -5.520 -20.002 876 3HD2 LEU 108 3HD2 LEU 108 -7.346 -5.463 -18.771 877 HA PRO 109 HA PRO 109 -5.242 -3.246 -12.054 878 1HB PRO 109 2HB PRO 109 -8.107 -2.428 -12.031 879 2HB PRO 109 1HB PRO 109 -6.681 -1.510 -11.524 880 1HG PRO 109 2HG PRO 109 -8.068 -0.909 -13.835 881 2HG PRO 109 1HG PRO 109 -6.349 -0.595 -13.577 882 1HD PRO 109 1HD PRO 109 -7.530 -2.845 -15.235 883 2HD PRO 109 2HD PRO 109 -6.053 -1.888 -15.473 884 H CYS 110 H CYS 110 -5.670 -4.573 -10.548 885 HA CYS 110 HA CYS 110 -6.491 -7.182 -11.046 886 1HB CYS 110 2HB CYS 110 -5.110 -6.297 -9.114 887 2HB CYS 110 1HB CYS 110 -6.583 -5.926 -8.264 888 HG CYS 110 HG CYS 110 -7.453 -8.507 -7.901 889 H VAL 111 H VAL 111 -8.129 -8.465 -9.891 890 HA VAL 111 HA VAL 111 -10.798 -7.551 -10.542 891 HB VAL 111 HB VAL 111 -10.015 -9.854 -10.913 892 1HG1 VAL 111 3HG1 VAL 111 -8.478 -10.167 -9.003 893 2HG1 VAL 111 2HG1 VAL 111 -9.833 -10.170 -7.880 894 3HG1 VAL 111 1HG1 VAL 111 -9.655 -11.458 -9.055 895 1HG2 VAL 111 3HG2 VAL 111 -12.474 -9.446 -10.542 896 2HG2 VAL 111 2HG2 VAL 111 -11.979 -11.074 -10.102 897 3HG2 VAL 111 1HG2 VAL 111 -12.274 -9.891 -8.847 898 H ASN 112 H ASN 112 -12.524 -7.428 -9.067 899 HA ASN 112 HA ASN 112 -12.272 -5.839 -6.820 900 1HB ASN 112 2HB ASN 112 -14.376 -6.277 -8.118 901 2HB ASN 112 1HB ASN 112 -14.470 -7.895 -7.459 902 1HD2 ASN 112 2HD2 ASN 112 -15.690 -4.607 -5.367 903 2HD2 ASN 112 1HD2 ASN 112 -14.914 -4.486 -6.898 904 H LEU 113 H LEU 113 -12.617 -9.387 -6.918 905 HA LEU 113 HA LEU 113 -11.089 -9.683 -4.484 906 1HB LEU 113 2HB LEU 113 -12.940 -10.915 -3.226 907 2HB LEU 113 1HB LEU 113 -13.185 -9.218 -3.433 908 HG LEU 113 HG LEU 113 -14.696 -9.767 -5.450 909 1HD1 LEU 113 2HD1 LEU 113 -14.555 -12.566 -4.237 910 2HD1 LEU 113 1HD1 LEU 113 -15.776 -12.030 -5.383 911 3HD1 LEU 113 3HD1 LEU 113 -14.104 -12.124 -5.884 912 1HD2 LEU 113 3HD2 LEU 113 -15.557 -9.013 -3.250 913 2HD2 LEU 113 2HD2 LEU 113 -16.634 -10.196 -3.979 914 3HD2 LEU 113 1HD2 LEU 113 -15.559 -10.677 -2.669 915 H ALA 114 HN ALA 114 -11.093 -12.053 -3.768 916 HA ALA 114 HA ALA 114 -10.207 -13.526 -6.118 917 1HB ALA 114 3HB ALA 114 -8.862 -13.516 -4.018 918 2HB ALA 114 2HB ALA 114 -10.187 -14.269 -3.136 919 3HB ALA 114 1HB ALA 114 -9.353 -15.161 -4.409 No H/Q in entry = 919 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -20.370 8.944 -4.752 2 2H GLY 1 3H GLY 1 -21.727 8.240 -4.020 3 3H GLY 1 2H GLY 1 -20.341 8.568 -3.094 4 1HA GLY 1 2HA GLY 1 -19.072 6.994 -4.301 5 2HA GLY 1 1HA GLY 1 -20.548 6.242 -3.595 6 H SER 2 H SER 2 -19.731 4.673 -5.230 7 HA SER 2 HA SER 2 -20.239 5.230 -8.013 8 1HB SER 2 2HB SER 2 -20.153 2.365 -7.045 9 2HB SER 2 1HB SER 2 -19.472 3.076 -8.393 10 HG SER 2 HG SER 2 -17.930 3.960 -5.967 11 H VAL 3 H VAL 3 -22.217 5.727 -8.496 12 HA VAL 3 HA VAL 3 -24.373 3.727 -8.122 13 HB VAL 3 HB VAL 3 -24.658 6.735 -7.593 14 1HG1 VAL 3 3HG1 VAL 3 -26.786 4.552 -7.420 15 2HG1 VAL 3 2HG1 VAL 3 -26.999 6.224 -6.908 16 3HG1 VAL 3 1HG1 VAL 3 -26.735 5.855 -8.604 17 1HG2 VAL 3 1HG2 VAL 3 -24.778 4.394 -5.628 18 2HG2 VAL 3 3HG2 VAL 3 -23.574 5.682 -5.650 19 3HG2 VAL 3 2HG2 VAL 3 -25.236 6.049 -5.237 20 H ALA 4 H ALA 4 -23.279 6.724 -9.605 21 HA ALA 4 HA ALA 4 -25.033 6.883 -11.747 22 1HB ALA 4 2HB ALA 4 -22.160 7.909 -11.542 23 2HB ALA 4 1HB ALA 4 -23.287 8.343 -12.828 24 3HB ALA 4 3HB ALA 4 -23.639 8.761 -11.157 25 HA PRO 5 HA PRO 5 -22.201 4.207 -14.511 26 1HB PRO 5 2HB PRO 5 -20.135 2.693 -13.427 27 2HB PRO 5 1HB PRO 5 -19.928 4.356 -13.958 28 1HG PRO 5 2HG PRO 5 -20.381 3.400 -11.141 29 2HG PRO 5 1HG PRO 5 -19.210 4.596 -11.703 30 1HD PRO 5 1HD PRO 5 -21.562 5.348 -10.585 31 2HD PRO 5 2HD PRO 5 -20.828 6.286 -11.901 32 H VAL 6 H VAL 6 -23.692 2.907 -14.869 33 HA VAL 6 HA VAL 6 -25.566 1.616 -13.950 34 HB VAL 6 HB VAL 6 -23.710 -0.007 -15.724 35 1HG1 VAL 6 2HG1 VAL 6 -25.763 -1.244 -14.914 36 2HG1 VAL 6 1HG1 VAL 6 -26.761 0.039 -15.575 37 3HG1 VAL 6 3HG1 VAL 6 -25.780 -0.957 -16.647 38 1HG2 VAL 6 1HG2 VAL 6 -25.647 2.237 -16.465 39 2HG2 VAL 6 3HG2 VAL 6 -23.896 2.253 -16.680 40 3HG2 VAL 6 2HG2 VAL 6 -24.878 1.147 -17.616 41 H GLU 7 H GLU 7 -23.129 -0.917 -14.223 42 HA GLU 7 HA GLU 7 -24.079 -2.111 -11.726 43 1HB GLU 7 2HB GLU 7 -22.077 -3.204 -13.781 44 2HB GLU 7 1HB GLU 7 -22.871 -4.121 -12.528 45 1HG GLU 7 2HG GLU 7 -25.112 -3.576 -13.653 46 2HG GLU 7 1HG GLU 7 -24.204 -2.873 -14.980 47 H THR 8 H THR 8 -22.377 -3.462 -10.683 48 HA THR 8 HA THR 8 -21.073 -3.421 -8.934 49 HB THR 8 HB THR 8 -19.830 -4.473 -10.707 50 HG1 THR 8 HG1 THR 8 -17.870 -3.224 -8.828 51 1HG2 THR 8 3HG2 THR 8 -18.719 -1.728 -11.526 52 2HG2 THR 8 2HG2 THR 8 -18.037 -3.268 -12.070 53 3HG2 THR 8 1HG2 THR 8 -19.690 -2.877 -12.395 54 H LEU 9 H LEU 9 -18.331 -1.722 -9.432 55 HA LEU 9 HA LEU 9 -19.254 0.827 -8.355 56 1HB LEU 9 2HB LEU 9 -17.110 -0.806 -6.861 57 2HB LEU 9 1HB LEU 9 -17.681 0.730 -6.419 58 HG LEU 9 HG LEU 9 -19.541 -1.688 -6.427 59 1HD1 LEU 9 3HD1 LEU 9 -17.642 -2.173 -4.978 60 2HD1 LEU 9 2HD1 LEU 9 -17.854 -0.632 -4.142 61 3HD1 LEU 9 1HD1 LEU 9 -19.095 -1.883 -4.026 62 1HD2 LEU 9 2HD2 LEU 9 -19.701 1.062 -5.094 63 2HD2 LEU 9 1HD2 LEU 9 -20.754 0.452 -6.372 64 3HD2 LEU 9 3HD2 LEU 9 -20.811 -0.270 -4.780 65 H GLU 10 H GLU 10 -17.694 2.462 -8.534 66 HA GLU 10 HA GLU 10 -15.564 1.889 -10.521 67 1HB GLU 10 2HB GLU 10 -15.600 4.295 -11.024 68 2HB GLU 10 1HB GLU 10 -17.166 3.591 -11.268 69 1HG GLU 10 2HG GLU 10 -18.064 4.618 -9.244 70 2HG GLU 10 1HG GLU 10 -16.460 5.045 -8.681 71 H VAL 11 H VAL 11 -13.699 3.579 -10.186 72 HA VAL 11 HA VAL 11 -11.817 3.987 -9.111 73 HB VAL 11 HB VAL 11 -12.886 5.875 -8.216 74 1HG1 VAL 11 1HG1 VAL 11 -14.084 4.201 -5.959 75 2HG1 VAL 11 3HG1 VAL 11 -14.051 5.958 -6.000 76 3HG1 VAL 11 2HG1 VAL 11 -14.942 5.090 -7.212 77 1HG2 VAL 11 2HG2 VAL 11 -10.630 5.211 -7.296 78 2HG2 VAL 11 1HG2 VAL 11 -11.545 6.293 -6.232 79 3HG2 VAL 11 3HG2 VAL 11 -11.441 4.572 -5.872 80 H GLU 12 H GLU 12 -11.378 1.852 -9.301 81 HA GLU 12 HA GLU 12 -10.531 0.615 -6.757 82 1HB GLU 12 2HB GLU 12 -12.815 -0.472 -8.368 83 2HB GLU 12 1HB GLU 12 -11.727 -1.646 -7.731 84 1HG GLU 12 2HG GLU 12 -13.128 0.459 -5.986 85 2HG GLU 12 1HG GLU 12 -13.687 -1.176 -6.238 86 H LYS 13 H LYS 13 -9.462 -1.110 -6.837 87 HA LYS 13 HA LYS 13 -7.774 -2.420 -7.154 88 1HB LYS 13 2HB LYS 13 -8.744 -2.497 -9.981 89 2HB LYS 13 1HB LYS 13 -7.503 -3.548 -9.332 90 1HG LYS 13 2HG LYS 13 -10.357 -3.256 -8.272 91 2HG LYS 13 1HG LYS 13 -9.732 -4.643 -9.147 92 1HD LYS 13 2HD LYS 13 -7.981 -4.768 -7.106 93 2HD LYS 13 1HD LYS 13 -9.129 -3.726 -6.326 94 1HE LYS 13 1HE LYS 13 -10.040 -5.620 -5.560 95 2HE LYS 13 2HE LYS 13 -10.820 -5.716 -7.136 96 1HZ LYS 13 3HZ LYS 13 -8.993 -7.078 -7.877 97 2HZ LYS 13 2HZ LYS 13 -8.285 -6.977 -6.337 98 3HZ LYS 13 1HZ LYS 13 -9.787 -7.740 -6.543 99 H TRP 14 H TRP 14 -7.220 0.030 -9.880 100 HA TRP 14 HA TRP 14 -4.437 -0.490 -9.209 101 1HB TRP 14 2HB TRP 14 -3.584 0.856 -10.730 102 2HB TRP 14 1HB TRP 14 -5.071 0.373 -11.459 103 HD1 TRP 14 HD1 TRP 14 -6.228 2.207 -12.717 104 HE1 TRP 14 HE1 TRP 14 -6.048 4.750 -12.842 105 HE3 TRP 14 HE3 TRP 14 -3.198 3.061 -8.651 106 HZ2 TRP 14 HZ2 TRP 14 -4.625 6.870 -11.390 107 HZ3 TRP 14 HZ3 TRP 14 -2.594 5.360 -8.060 108 HH2 TRP 14 HH2 TRP 14 -3.399 7.258 -9.440 109 H PHE 15 H PHE 15 -6.707 2.087 -8.282 110 HA PHE 15 HA PHE 15 -4.655 3.109 -6.454 111 1HB PHE 15 2HB PHE 15 -6.127 4.682 -7.729 112 2HB PHE 15 1HB PHE 15 -7.516 4.109 -6.830 113 HD1 PHE 15 HD2 PHE 15 -4.018 5.274 -6.166 114 HD2 PHE 15 HD1 PHE 15 -8.105 5.389 -4.933 115 HE1 PHE 15 HE2 PHE 15 -3.430 6.854 -4.368 116 HE2 PHE 15 HE1 PHE 15 -7.518 6.974 -3.141 117 HZ PHE 15 HZ PHE 15 -5.174 7.713 -2.859 118 H PHE 16 H PHE 16 -4.304 1.993 -4.651 119 HA PHE 16 HA PHE 16 -6.664 1.073 -3.097 120 1HB PHE 16 2HB PHE 16 -4.318 -0.516 -4.001 121 2HB PHE 16 1HB PHE 16 -4.443 -0.606 -2.264 122 HD1 PHE 16 HD1 PHE 16 -6.879 -0.475 -5.123 123 HD2 PHE 16 HD2 PHE 16 -5.596 -2.466 -1.564 124 HE1 PHE 16 HE1 PHE 16 -8.892 -1.854 -5.192 125 HE2 PHE 16 HE2 PHE 16 -7.717 -3.807 -1.608 126 HZ PHE 16 HZ PHE 16 -9.317 -3.536 -3.459 127 H ARG 17 H ARG 17 -5.778 0.391 -0.907 128 HA ARG 17 HA ARG 17 -4.481 2.745 0.343 129 1HB ARG 17 2HB ARG 17 -7.178 1.440 0.991 130 2HB ARG 17 1HB ARG 17 -6.341 2.313 2.239 131 1HG ARG 17 2HG ARG 17 -6.243 4.336 0.850 132 2HG ARG 17 1HG ARG 17 -7.127 3.544 -0.437 133 1HD ARG 17 2HD ARG 17 -8.233 3.947 2.408 134 2HD ARG 17 1HD ARG 17 -8.562 5.000 1.047 135 HE ARG 17 HE ARG 17 -9.787 3.315 -0.043 136 1HH1 ARG 17 1HH2 ARG 17 -8.692 2.290 3.146 137 2HH1 ARG 17 2HH2 ARG 17 -9.861 1.020 3.281 138 1HH2 ARG 17 2HH1 ARG 17 -11.303 1.651 0.153 139 2HH2 ARG 17 1HH1 ARG 17 -11.358 0.663 1.570 140 H THR 18 H THR 18 -4.546 2.117 2.768 141 HA THR 18 HA THR 18 -2.404 0.361 3.144 142 HB THR 18 HB THR 18 -2.338 2.137 4.532 143 HG1 THR 18 HG1 THR 18 -3.101 -0.067 6.385 144 1HG2 THR 18 2HG2 THR 18 -5.322 1.900 5.260 145 2HG2 THR 18 1HG2 THR 18 -4.164 3.054 5.971 146 3HG2 THR 18 3HG2 THR 18 -4.515 3.085 4.298 147 H ILE 19 H ILE 19 -3.285 -1.287 2.243 148 HA ILE 19 HA ILE 19 -4.895 -3.195 3.848 149 HB ILE 19 HB ILE 19 -5.128 -2.709 1.253 150 1HG1 ILE 19 1HG1 ILE 19 -5.215 -5.437 2.394 151 2HG1 ILE 19 2HG1 ILE 19 -6.505 -4.309 2.222 152 1HG2 ILE 19 1HG2 ILE 19 -2.639 -3.094 0.783 153 2HG2 ILE 19 3HG2 ILE 19 -3.028 -4.818 0.895 154 3HG2 ILE 19 2HG2 ILE 19 -3.821 -3.766 -0.321 155 1HD1 ILE 19 2HD1 ILE 19 -6.187 -4.389 -0.320 156 2HD1 ILE 19 1HD1 ILE 19 -5.127 -5.758 -0.116 157 3HD1 ILE 19 3HD1 ILE 19 -6.809 -5.887 0.375 158 H SER 20 H SER 20 -3.838 -5.407 4.002 159 HA SER 20 HA SER 20 -1.052 -4.783 4.808 160 1HB SER 20 2HB SER 20 -2.501 -6.157 6.356 161 2HB SER 20 1HB SER 20 -2.665 -7.356 5.188 162 HG SER 20 HG SER 20 0.218 -7.288 5.974 163 H ARG 21 H ARG 21 0.598 -6.144 4.328 164 HA ARG 21 HA ARG 21 1.338 -6.346 1.717 165 1HB ARG 21 2HB ARG 21 2.802 -6.626 3.847 166 2HB ARG 21 1HB ARG 21 2.391 -8.326 3.825 167 1HG ARG 21 2HG ARG 21 3.344 -8.463 1.497 168 2HG ARG 21 1HG ARG 21 3.883 -6.810 1.661 169 1HD ARG 21 2HD ARG 21 5.417 -7.348 3.460 170 2HD ARG 21 1HD ARG 21 4.704 -8.932 3.724 171 HE ARG 21 HE ARG 21 6.655 -8.189 1.718 172 1HH1 ARG 21 1HH2 ARG 21 4.041 -10.395 2.553 173 2HH1 ARG 21 2HH2 ARG 21 4.533 -11.623 1.440 174 1HH2 ARG 21 2HH1 ARG 21 7.315 -9.869 0.272 175 2HH2 ARG 21 1HH1 ARG 21 6.389 -11.325 0.157 176 H LYS 22 H LYS 22 -0.037 -9.064 3.651 177 HA LYS 22 HA LYS 22 0.168 -10.870 1.400 178 1HB LYS 22 2HB LYS 22 -1.025 -12.499 2.573 179 2HB LYS 22 1HB LYS 22 0.142 -11.778 3.669 180 1HG LYS 22 2HG LYS 22 -2.887 -11.271 3.615 181 2HG LYS 22 1HG LYS 22 -2.028 -12.297 4.739 182 1HD LYS 22 2HD LYS 22 -0.652 -10.300 5.367 183 2HD LYS 22 1HD LYS 22 -1.796 -9.315 4.438 184 1HE LYS 22 1HE LYS 22 -2.552 -11.101 6.820 185 2HE LYS 22 2HE LYS 22 -2.298 -9.370 6.949 186 1HZ LYS 22 2HZ LYS 22 -4.331 -10.631 5.234 187 2HZ LYS 22 1HZ LYS 22 -4.601 -9.964 6.775 188 3HZ LYS 22 3HZ LYS 22 -4.106 -8.984 5.479 189 H ASP 23 H ASP 23 -1.944 -8.415 2.160 190 HA ASP 23 HA ASP 23 -4.296 -9.716 1.053 191 1HB ASP 23 2HB ASP 23 -3.846 -6.880 2.107 192 2HB ASP 23 1HB ASP 23 -5.380 -7.374 1.461 193 H ALA 24 H ALA 24 -2.262 -7.083 0.372 194 HA ALA 24 HA ALA 24 -3.426 -6.462 -2.219 195 1HB ALA 24 2HB ALA 24 -0.740 -5.748 -0.964 196 2HB ALA 24 1HB ALA 24 -1.244 -5.186 -2.601 197 3HB ALA 24 3HB ALA 24 -2.186 -4.746 -1.191 198 H GLU 25 H GLU 25 -1.175 -8.782 -1.105 199 HA GLU 25 HA GLU 25 -0.072 -9.517 -3.691 200 1HB GLU 25 2HB GLU 25 0.019 -10.714 -0.872 201 2HB GLU 25 1HB GLU 25 0.666 -11.591 -2.223 202 1HG GLU 25 2HG GLU 25 2.255 -9.780 -2.727 203 2HG GLU 25 1HG GLU 25 1.646 -8.821 -1.404 204 H ARG 26 H ARG 26 -2.753 -10.397 -1.538 205 HA ARG 26 HA ARG 26 -3.267 -12.922 -2.655 206 1HB ARG 26 2HB ARG 26 -5.245 -12.915 -1.331 207 2HB ARG 26 1HB ARG 26 -4.342 -11.660 -0.556 208 1HG ARG 26 2HG ARG 26 -5.807 -10.103 -2.268 209 2HG ARG 26 1HG ARG 26 -6.842 -11.477 -2.196 210 1HD ARG 26 2HD ARG 26 -6.073 -9.524 0.016 211 2HD ARG 26 1HD ARG 26 -7.657 -9.931 -0.550 212 HE ARG 26 HE ARG 26 -6.111 -11.263 1.465 213 1HH1 ARG 26 1HH2 ARG 26 -8.608 -11.775 -0.984 214 2HH1 ARG 26 2HH2 ARG 26 -9.289 -13.144 -0.175 215 1HH2 ARG 26 2HH1 ARG 26 -7.055 -13.048 2.509 216 2HH2 ARG 26 1HH1 ARG 26 -8.416 -13.856 1.808 217 H GLN 27 H GLN 27 -4.131 -9.755 -3.552 218 HA GLN 27 HA GLN 27 -6.055 -10.470 -5.602 219 1HB GLN 27 2HB GLN 27 -4.596 -7.785 -5.362 220 2HB GLN 27 1HB GLN 27 -6.130 -8.103 -6.144 221 1HG GLN 27 2HG GLN 27 -6.965 -8.830 -3.745 222 2HG GLN 27 1HG GLN 27 -5.509 -8.050 -3.153 223 1HE2 GLN 27 2HE2 GLN 27 -7.633 -5.356 -2.680 224 2HE2 GLN 27 1HE2 GLN 27 -6.868 -6.731 -1.959 225 H LEU 28 H LEU 28 -2.590 -9.406 -5.689 226 HA LEU 28 HA LEU 28 -2.687 -9.495 -8.553 227 1HB LEU 28 2HB LEU 28 -0.400 -8.923 -6.733 228 2HB LEU 28 1HB LEU 28 -0.384 -8.702 -8.481 229 HG LEU 28 HG LEU 28 -2.301 -7.403 -6.558 230 1HD1 LEU 28 1HD1 LEU 28 0.119 -6.657 -6.513 231 2HD1 LEU 28 3HD1 LEU 28 -0.080 -6.124 -8.173 232 3HD1 LEU 28 2HD1 LEU 28 -1.019 -5.360 -6.889 233 1HD2 LEU 28 1HD2 LEU 28 -2.177 -7.375 -9.562 234 2HD2 LEU 28 3HD2 LEU 28 -3.583 -7.471 -8.527 235 3HD2 LEU 28 2HD2 LEU 28 -2.766 -5.935 -8.719 236 H LEU 29 H LEU 29 -1.745 -11.856 -6.013 237 HA LEU 29 HA LEU 29 -0.218 -13.430 -7.896 238 1HB LEU 29 2HB LEU 29 -1.425 -13.985 -5.162 239 2HB LEU 29 1HB LEU 29 -0.466 -15.162 -6.011 240 HG LEU 29 HG LEU 29 0.624 -12.376 -5.410 241 1HD1 LEU 29 3HD1 LEU 29 -0.160 -13.409 -3.350 242 2HD1 LEU 29 2HD1 LEU 29 0.831 -14.837 -3.649 243 3HD1 LEU 29 1HD1 LEU 29 1.609 -13.271 -3.377 244 1HD2 LEU 29 3HD2 LEU 29 1.992 -15.072 -6.038 245 2HD2 LEU 29 1HD2 LEU 29 1.902 -13.707 -7.131 246 3HD2 LEU 29 2HD2 LEU 29 2.823 -13.571 -5.641 247 H ALA 30 H ALA 30 -3.591 -12.832 -7.307 248 HA ALA 30 HA ALA 30 -4.643 -15.373 -7.845 249 1HB ALA 30 2HB ALA 30 -5.946 -13.340 -7.017 250 2HB ALA 30 1HB ALA 30 -5.854 -12.653 -8.639 251 3HB ALA 30 3HB ALA 30 -6.735 -14.148 -8.362 252 HA PRO 31 HA PRO 31 -3.673 -15.872 -12.152 253 1HB PRO 31 2HB PRO 31 -5.578 -17.744 -12.896 254 2HB PRO 31 1HB PRO 31 -4.195 -18.089 -11.869 255 1HG PRO 31 2HG PRO 31 -6.991 -17.459 -10.968 256 2HG PRO 31 1HG PRO 31 -5.940 -18.767 -10.387 257 1HD PRO 31 1HD PRO 31 -6.225 -16.455 -9.001 258 2HD PRO 31 2HD PRO 31 -4.652 -17.294 -9.078 259 H MET 32 H MET 32 -6.241 -13.971 -11.120 260 HA MET 32 HA MET 32 -7.976 -13.807 -13.214 261 1HB MET 32 2HB MET 32 -6.965 -11.962 -11.015 262 2HB MET 32 1HB MET 32 -8.319 -11.568 -12.003 263 1HG MET 32 2HG MET 32 -9.366 -13.838 -11.244 264 2HG MET 32 1HG MET 32 -8.129 -13.851 -10.018 265 1HE MET 32 1HE MET 32 -7.631 -11.196 -8.934 266 2HE MET 32 3HE MET 32 -8.946 -10.714 -7.863 267 3HE MET 32 2HE MET 32 -8.271 -12.356 -7.765 268 H ASN 33 H ASN 33 -4.858 -12.237 -12.572 269 HA ASN 33 HA ASN 33 -4.851 -11.148 -15.331 270 1HB ASN 33 2HB ASN 33 -4.221 -9.546 -12.770 271 2HB ASN 33 1HB ASN 33 -3.947 -8.936 -14.397 272 1HD2 ASN 33 2HD2 ASN 33 -7.719 -9.083 -12.828 273 2HD2 ASN 33 1HD2 ASN 33 -6.430 -9.966 -12.073 274 H LYS 34 H LYS 34 -2.415 -9.686 -14.917 275 HA LYS 34 HA LYS 34 -0.371 -11.542 -14.098 276 1HB LYS 34 2HB LYS 34 0.694 -11.805 -16.275 277 2HB LYS 34 1HB LYS 34 -0.905 -12.436 -16.281 278 1HG LYS 34 2HG LYS 34 -0.810 -11.284 -18.328 279 2HG LYS 34 1HG LYS 34 -1.709 -10.197 -17.307 280 1HD LYS 34 2HD LYS 34 -0.108 -8.904 -18.557 281 2HD LYS 34 1HD LYS 34 0.373 -8.901 -16.891 282 1HE LYS 34 1HE LYS 34 2.131 -10.596 -17.319 283 2HE LYS 34 2HE LYS 34 1.624 -10.722 -19.001 284 1HZ LYS 34 3HZ LYS 34 2.614 -8.263 -17.712 285 2HZ LYS 34 2HZ LYS 34 3.549 -9.347 -18.633 286 3HZ LYS 34 1HZ LYS 34 2.267 -8.501 -19.360 287 H ALA 35 H ALA 35 1.817 -10.649 -14.487 288 HA ALA 35 HA ALA 35 2.439 -8.435 -13.247 289 1HB ALA 35 2HB ALA 35 3.755 -9.470 -15.821 290 2HB ALA 35 1HB ALA 35 4.465 -8.176 -14.856 291 3HB ALA 35 3HB ALA 35 4.245 -9.764 -14.165 292 H GLY 36 H GLY 36 1.391 -6.644 -13.266 293 1HA GLY 36 2HA GLY 36 1.584 -4.458 -14.443 294 2HA GLY 36 1HA GLY 36 0.654 -5.204 -15.763 295 H SER 37 H SER 37 -0.903 -6.759 -13.863 296 HA SER 37 HA SER 37 -2.864 -4.997 -12.872 297 1HB SER 37 1HB SER 37 -3.451 -7.093 -11.365 298 2HB SER 37 2HB SER 37 -3.698 -7.253 -12.996 299 HG SER 37 HG SER 37 -1.027 -8.369 -12.608 300 H PHE 38 H PHE 38 -2.614 -3.563 -11.285 301 HA PHE 38 HA PHE 38 -0.560 -4.118 -9.187 302 1HB PHE 38 2HB PHE 38 -1.275 -1.474 -10.617 303 2HB PHE 38 1HB PHE 38 -0.417 -1.501 -9.121 304 HD1 PHE 38 HD1 PHE 38 0.601 -4.001 -11.732 305 HD2 PHE 38 HD2 PHE 38 1.223 -0.160 -10.024 306 HE1 PHE 38 HE1 PHE 38 2.740 -3.742 -12.936 307 HE2 PHE 38 HE2 PHE 38 3.446 -0.060 -10.975 308 HZ PHE 38 HZ PHE 38 4.192 -1.876 -12.510 309 H LEU 39 H LEU 39 -0.754 -2.580 -7.483 310 HA LEU 39 HA LEU 39 -3.324 -1.913 -6.146 311 1HB LEU 39 2HB LEU 39 -0.931 -3.602 -5.333 312 2HB LEU 39 1HB LEU 39 -1.580 -2.640 -4.073 313 HG LEU 39 HG LEU 39 -2.170 -5.126 -4.339 314 1HD1 LEU 39 1HD1 LEU 39 -2.876 -3.401 -2.670 315 2HD1 LEU 39 3HD1 LEU 39 -4.136 -2.916 -3.752 316 3HD1 LEU 39 2HD1 LEU 39 -4.227 -4.523 -3.001 317 1HD2 LEU 39 1HD2 LEU 39 -3.200 -5.125 -6.579 318 2HD2 LEU 39 3HD2 LEU 39 -4.301 -5.585 -5.282 319 3HD2 LEU 39 2HD2 LEU 39 -4.440 -3.980 -6.020 320 H ILE 40 H ILE 40 -2.970 0.412 -5.521 321 HA ILE 40 HA ILE 40 -0.052 0.959 -4.854 322 HB ILE 40 HB ILE 40 -1.516 2.136 -6.940 323 1HG1 ILE 40 1HG1 ILE 40 0.282 4.132 -5.537 324 2HG1 ILE 40 2HG1 ILE 40 1.005 2.590 -5.887 325 1HG2 ILE 40 2HG2 ILE 40 -3.043 3.185 -5.207 326 2HG2 ILE 40 1HG2 ILE 40 -1.636 4.149 -4.693 327 3HG2 ILE 40 3HG2 ILE 40 -2.238 4.262 -6.337 328 1HD1 ILE 40 1HD1 ILE 40 0.376 2.749 -8.311 329 2HD1 ILE 40 3HD1 ILE 40 -0.360 4.273 -8.059 330 3HD1 ILE 40 2HD1 ILE 40 1.374 4.089 -7.796 331 H ARG 41 H ARG 41 -0.353 -0.004 -2.853 332 HA ARG 41 HA ARG 41 -2.510 0.834 -1.147 333 1HB ARG 41 2HB ARG 41 -1.704 -0.852 0.320 334 2HB ARG 41 1HB ARG 41 -1.526 -1.456 -1.288 335 1HG ARG 41 2HG ARG 41 0.397 -2.130 -0.221 336 2HG ARG 41 1HG ARG 41 0.966 -0.714 -1.098 337 1HD ARG 41 2HD ARG 41 1.005 0.581 1.013 338 2HD ARG 41 1HD ARG 41 0.105 -0.689 1.855 339 HE ARG 41 HE ARG 41 2.408 -1.888 0.824 340 1HH1 ARG 41 1HH2 ARG 41 1.519 0.667 3.099 341 2HH1 ARG 41 2HH2 ARG 41 2.919 0.444 4.094 342 1HH2 ARG 41 2HH1 ARG 41 4.223 -2.158 2.146 343 2HH2 ARG 41 1HH1 ARG 41 4.457 -1.186 3.556 344 H GLU 42 H GLU 42 -2.150 1.806 1.030 345 HA GLU 42 HA GLU 42 -0.009 3.854 0.830 346 1HB GLU 42 2HB GLU 42 -1.318 5.462 1.806 347 2HB GLU 42 1HB GLU 42 -2.545 4.511 0.999 348 1HG GLU 42 2HG GLU 42 -3.062 3.386 3.008 349 2HG GLU 42 1HG GLU 42 -1.874 4.241 3.968 350 H SER 43 H SER 43 0.841 4.742 2.783 351 HA SER 43 HA SER 43 1.466 2.598 4.727 352 1HB SER 43 2HB SER 43 3.483 3.747 3.583 353 2HB SER 43 1HB SER 43 2.907 5.203 3.846 354 HG SER 43 HG SER 43 3.481 4.254 6.549 355 H GLU 44 H GLU 44 0.106 2.714 6.429 356 HA GLU 44 HA GLU 44 -1.624 4.946 6.791 357 1HB GLU 44 2HB GLU 44 -2.465 3.696 8.779 358 2HB GLU 44 1HB GLU 44 -2.489 2.932 7.234 359 1HG GLU 44 2HG GLU 44 -0.445 1.567 7.830 360 2HG GLU 44 1HG GLU 44 -0.385 2.364 9.387 361 H SER 45 H SER 45 1.506 5.165 7.482 362 HA SER 45 HA SER 45 1.299 6.378 10.175 363 1HB SER 45 2HB SER 45 3.792 6.412 9.994 364 2HB SER 45 1HB SER 45 3.130 4.872 9.797 365 HG SER 45 HG SER 45 3.634 6.028 7.067 366 H ASN 46 H ASN 46 1.606 7.139 6.780 367 HA ASN 46 HA ASN 46 2.112 10.028 7.305 368 1HB ASN 46 2HB ASN 46 3.061 9.826 4.849 369 2HB ASN 46 1HB ASN 46 4.084 9.217 6.090 370 1HD2 ASN 46 2HD2 ASN 46 1.954 6.620 3.723 371 2HD2 ASN 46 1HD2 ASN 46 1.369 8.176 4.036 372 H LYS 47 H LYS 47 1.313 11.469 5.871 373 HA LYS 47 HA LYS 47 -1.170 10.746 4.535 374 1HB LYS 47 2HB LYS 47 -1.601 13.274 4.649 375 2HB LYS 47 1HB LYS 47 -1.626 12.368 6.143 376 1HG LYS 47 2HG LYS 47 1.000 13.386 5.333 377 2HG LYS 47 1HG LYS 47 -0.143 14.628 5.787 378 1HD LYS 47 2HD LYS 47 -0.252 13.948 8.038 379 2HD LYS 47 1HD LYS 47 -0.066 12.268 7.635 380 1HE LYS 47 1HE LYS 47 1.913 12.922 8.821 381 2HE LYS 47 2HE LYS 47 2.337 12.613 7.144 382 1HZ LYS 47 2HZ LYS 47 2.296 14.963 6.736 383 2HZ LYS 47 1HZ LYS 47 1.888 15.264 8.357 384 3HZ LYS 47 3HZ LYS 47 3.392 14.573 7.973 385 H GLY 48 H GLY 48 0.422 9.726 2.971 386 1HA GLY 48 2HA GLY 48 0.124 10.677 0.535 387 2HA GLY 48 1HA GLY 48 1.483 11.737 1.038 388 H ALA 49 H ALA 49 1.997 8.928 2.532 389 HA ALA 49 HA ALA 49 3.942 8.146 0.368 390 1HB ALA 49 2HB ALA 49 4.552 8.389 3.109 391 2HB ALA 49 1HB ALA 49 4.368 6.623 2.887 392 3HB ALA 49 3HB ALA 49 5.503 7.544 1.907 393 H PHE 50 H PHE 50 3.326 6.745 -0.979 394 HA PHE 50 HA PHE 50 1.509 4.593 -0.084 395 1HB PHE 50 2HB PHE 50 1.823 5.878 -2.864 396 2HB PHE 50 1HB PHE 50 1.109 4.337 -2.670 397 HD1 PHE 50 HD2 PHE 50 0.825 7.739 -1.085 398 HD2 PHE 50 HD1 PHE 50 -1.136 4.192 -2.381 399 HE1 PHE 50 HE2 PHE 50 -1.340 8.765 -0.578 400 HE2 PHE 50 HE1 PHE 50 -3.318 5.213 -1.903 401 HZ PHE 50 HZ PHE 50 -3.429 7.523 -1.011 402 H SER 51 H SER 51 1.939 2.853 -2.047 403 HA SER 51 HA SER 51 4.638 2.051 -2.409 404 1HB SER 51 2HB SER 51 2.929 -0.003 -0.888 405 2HB SER 51 1HB SER 51 4.599 0.002 -1.041 406 HG SER 51 HG SER 51 3.873 2.300 0.720 407 H LEU 52 H LEU 52 4.535 -0.250 -3.633 408 HA LEU 52 HA LEU 52 1.872 -0.444 -4.934 409 1HB LEU 52 2HB LEU 52 3.113 1.543 -5.919 410 2HB LEU 52 1HB LEU 52 4.480 0.576 -6.297 411 HG LEU 52 HG LEU 52 3.192 -0.584 -8.067 412 1HD1 LEU 52 2HD1 LEU 52 0.924 0.687 -6.652 413 2HD1 LEU 52 1HD1 LEU 52 0.743 0.732 -8.354 414 3HD1 LEU 52 3HD1 LEU 52 0.989 -0.822 -7.561 415 1HD2 LEU 52 3HD2 LEU 52 2.968 2.474 -8.097 416 2HD2 LEU 52 2HD2 LEU 52 4.278 1.502 -8.759 417 3HD2 LEU 52 1HD2 LEU 52 2.688 1.486 -9.515 418 H SER 53 H SER 53 1.353 -2.296 -5.302 419 HA SER 53 HA SER 53 3.360 -4.433 -5.584 420 1HB SER 53 1HB SER 53 0.461 -5.167 -5.148 421 2HB SER 53 2HB SER 53 1.828 -5.930 -4.594 422 HG SER 53 HG SER 53 1.479 -3.396 -3.036 423 H VAL 54 H VAL 54 3.433 -5.757 -6.978 424 HA VAL 54 HA VAL 54 1.615 -5.646 -9.369 425 HB VAL 54 HB VAL 54 4.657 -5.511 -9.736 426 1HG1 VAL 54 3HG1 VAL 54 2.497 -5.502 -11.766 427 2HG1 VAL 54 2HG1 VAL 54 4.186 -4.975 -12.048 428 3HG1 VAL 54 1HG1 VAL 54 3.825 -6.598 -11.551 429 1HG2 VAL 54 1HG2 VAL 54 2.790 -3.174 -9.599 430 2HG2 VAL 54 3HG2 VAL 54 4.187 -3.510 -8.627 431 3HG2 VAL 54 2HG2 VAL 54 4.438 -3.181 -10.311 432 H LYS 55 H LYS 55 1.592 -7.735 -10.480 433 HA LYS 55 HA LYS 55 2.699 -9.873 -8.816 434 1HB LYS 55 2HB LYS 55 0.511 -9.977 -10.114 435 2HB LYS 55 1HB LYS 55 1.458 -9.908 -11.580 436 1HG LYS 55 2HG LYS 55 2.643 -12.062 -10.559 437 2HG LYS 55 1HG LYS 55 1.177 -12.228 -9.641 438 1HD LYS 55 2HD LYS 55 1.187 -11.827 -12.659 439 2HD LYS 55 1HD LYS 55 1.406 -13.395 -11.967 440 1HE LYS 55 1HE LYS 55 -1.103 -11.691 -11.552 441 2HE LYS 55 2HE LYS 55 -0.921 -13.011 -12.694 442 1HZ LYS 55 3HZ LYS 55 -0.537 -14.534 -10.963 443 2HZ LYS 55 2HZ LYS 55 -0.656 -13.295 -9.817 444 3HZ LYS 55 1HZ LYS 55 -2.014 -13.713 -10.741 445 H ASP 56 H ASP 56 5.226 -9.784 -8.951 446 HA ASP 56 HA ASP 56 6.131 -9.486 -11.713 447 1HB ASP 56 2HB ASP 56 7.331 -8.307 -10.153 448 2HB ASP 56 1HB ASP 56 7.719 -9.694 -9.167 449 H ILE 57 H ILE 57 6.360 -10.946 -13.132 450 HA ILE 57 HA ILE 57 6.025 -13.761 -12.400 451 HB ILE 57 HB ILE 57 6.550 -12.430 -15.080 452 1HG1 ILE 57 1HG1 ILE 57 4.429 -11.683 -14.800 453 2HG1 ILE 57 2HG1 ILE 57 4.061 -13.255 -15.453 454 1HG2 ILE 57 1HG2 ILE 57 7.240 -14.795 -15.220 455 2HG2 ILE 57 3HG2 ILE 57 5.661 -15.283 -14.582 456 3HG2 ILE 57 2HG2 ILE 57 5.786 -14.505 -16.163 457 1HD1 ILE 57 1HD1 ILE 57 4.010 -14.114 -13.191 458 2HD1 ILE 57 3HD1 ILE 57 3.960 -12.437 -12.595 459 3HD1 ILE 57 2HD1 ILE 57 2.667 -13.050 -13.664 460 H THR 58 H THR 58 7.537 -15.264 -12.209 461 HA THR 58 HA THR 58 10.226 -14.805 -13.281 462 HB THR 58 HB THR 58 10.288 -13.570 -11.190 463 HG1 THR 58 HG1 THR 58 11.943 -16.025 -10.807 464 1HG2 THR 58 3HG2 THR 58 8.966 -15.937 -9.739 465 2HG2 THR 58 2HG2 THR 58 9.743 -14.568 -8.923 466 3HG2 THR 58 1HG2 THR 58 8.415 -14.314 -10.003 467 H THR 59 H THR 59 11.729 -16.541 -12.749 468 HA THR 59 HA THR 59 10.416 -19.077 -13.222 469 HB THR 59 HB THR 59 12.311 -18.913 -14.463 470 HG1 THR 59 HG1 THR 59 13.028 -20.882 -12.330 471 1HG2 THR 59 3HG2 THR 59 13.473 -17.064 -13.528 472 2HG2 THR 59 2HG2 THR 59 14.117 -17.942 -12.142 473 3HG2 THR 59 1HG2 THR 59 14.597 -18.343 -13.767 474 H GLN 60 H GLN 60 11.179 -17.408 -10.365 475 HA GLN 60 HA GLN 60 11.596 -19.913 -8.837 476 1HB GLN 60 2HB GLN 60 11.491 -17.061 -7.814 477 2HB GLN 60 1HB GLN 60 11.786 -18.427 -6.841 478 1HG GLN 60 2HG GLN 60 13.664 -18.355 -9.176 479 2HG GLN 60 1HG GLN 60 13.785 -16.954 -8.128 480 1HE2 GLN 60 2HE2 GLN 60 14.395 -20.655 -6.377 481 2HE2 GLN 60 1HE2 GLN 60 13.073 -20.418 -7.460 482 H GLY 61 H GLY 61 9.046 -18.698 -10.303 483 1HA GLY 61 2HA GLY 61 6.901 -19.424 -10.062 484 2HA GLY 61 1HA GLY 61 7.155 -19.696 -8.286 485 H GLU 62 H GLU 62 5.489 -17.987 -10.349 486 HA GLU 62 HA GLU 62 5.388 -15.434 -10.432 487 1HB GLU 62 2HB GLU 62 3.529 -17.354 -10.666 488 2HB GLU 62 1HB GLU 62 2.954 -16.740 -9.132 489 1HG GLU 62 2HG GLU 62 2.742 -14.436 -10.214 490 2HG GLU 62 1HG GLU 62 3.233 -15.155 -11.736 491 H VAL 63 H VAL 63 5.634 -13.613 -9.141 492 HA VAL 63 HA VAL 63 5.011 -13.863 -6.251 493 HB VAL 63 HB VAL 63 6.947 -12.528 -5.718 494 1HG1 VAL 63 1HG1 VAL 63 7.321 -14.972 -5.896 495 2HG1 VAL 63 3HG1 VAL 63 7.959 -14.726 -7.519 496 3HG1 VAL 63 2HG1 VAL 63 8.781 -14.013 -6.143 497 1HG2 VAL 63 2HG2 VAL 63 6.953 -11.221 -8.042 498 2HG2 VAL 63 1HG2 VAL 63 8.467 -11.493 -7.205 499 3HG2 VAL 63 3HG2 VAL 63 8.028 -12.508 -8.562 500 H VAL 64 H VAL 64 5.604 -11.325 -5.684 501 HA VAL 64 HA VAL 64 4.045 -9.553 -7.350 502 HB VAL 64 HB VAL 64 3.375 -10.370 -4.566 503 1HG1 VAL 64 2HG1 VAL 64 2.666 -7.663 -5.739 504 2HG1 VAL 64 1HG1 VAL 64 1.791 -8.399 -4.418 505 3HG1 VAL 64 3HG1 VAL 64 3.469 -7.928 -4.148 506 1HG2 VAL 64 2HG2 VAL 64 2.089 -11.154 -6.625 507 2HG2 VAL 64 1HG2 VAL 64 1.102 -10.239 -5.473 508 3HG2 VAL 64 3HG2 VAL 64 1.704 -9.441 -6.903 509 H LYS 65 H LYS 65 4.503 -7.393 -5.914 510 HA LYS 65 HA LYS 65 7.103 -6.908 -4.816 511 1HB LYS 65 2HB LYS 65 6.404 -5.671 -7.403 512 2HB LYS 65 1HB LYS 65 7.097 -4.554 -6.324 513 1HG LYS 65 2HG LYS 65 9.035 -5.261 -7.269 514 2HG LYS 65 1HG LYS 65 8.990 -6.362 -5.978 515 1HD LYS 65 2HD LYS 65 8.625 -8.136 -7.222 516 2HD LYS 65 1HD LYS 65 7.580 -7.330 -8.373 517 1HE LYS 65 1HE LYS 65 10.608 -6.806 -8.301 518 2HE LYS 65 2HE LYS 65 9.966 -8.161 -9.190 519 1HZ LYS 65 3HZ LYS 65 8.630 -6.611 -10.467 520 2HZ LYS 65 2HZ LYS 65 9.422 -5.312 -9.685 521 3HZ LYS 65 1HZ LYS 65 10.290 -6.418 -10.641 522 H HIS 66 H HIS 66 7.402 -4.720 -4.293 523 HA HIS 66 HA HIS 66 5.142 -3.113 -3.403 524 1HB HIS 66 2HB HIS 66 7.070 -4.578 -1.437 525 2HB HIS 66 1HB HIS 66 6.092 -3.219 -0.963 526 HD1 HIS 66 HD1 HIS 66 5.772 -6.841 -1.949 527 HD2 HIS 66 HD2 HIS 66 3.428 -3.713 -0.426 528 HE1 HIS 66 HE1 HIS 66 3.577 -7.852 -1.215 529 H TYR 67 H TYR 67 6.144 -1.563 -4.721 530 HA TYR 67 HA TYR 67 8.890 -0.725 -4.136 531 1HB TYR 67 2HB TYR 67 6.827 0.755 -5.838 532 2HB TYR 67 1HB TYR 67 8.554 0.956 -5.885 533 HD1 TYR 67 HD1 TYR 67 9.966 -1.127 -6.630 534 HD2 TYR 67 HD2 TYR 67 5.779 -0.776 -7.169 535 HE1 TYR 67 HE1 TYR 67 10.094 -2.730 -8.485 536 HE2 TYR 67 HE2 TYR 67 5.806 -2.172 -9.039 537 HH TYR 67 HH TYR 67 7.696 -4.350 -10.026 538 H LYS 68 H LYS 68 9.135 1.820 -3.856 539 HA LYS 68 HA LYS 68 7.224 2.733 -1.783 540 1HB LYS 68 2HB LYS 68 8.970 3.602 -0.470 541 2HB LYS 68 1HB LYS 68 9.045 1.873 -0.663 542 1HG LYS 68 2HG LYS 68 10.715 3.777 -2.299 543 2HG LYS 68 1HG LYS 68 11.205 3.157 -0.741 544 1HD LYS 68 2HD LYS 68 10.671 0.785 -1.853 545 2HD LYS 68 1HD LYS 68 10.919 1.645 -3.350 546 1HE LYS 68 1HE LYS 68 12.949 1.500 -1.064 547 2HE LYS 68 2HE LYS 68 12.999 0.521 -2.527 548 1HZ LYS 68 2HZ LYS 68 13.173 2.535 -3.809 549 2HZ LYS 68 1HZ LYS 68 13.213 3.448 -2.381 550 3HZ LYS 68 3HZ LYS 68 14.463 2.346 -2.715 551 H ILE 69 H ILE 69 6.089 4.026 -2.666 552 HA ILE 69 HA ILE 69 7.000 6.264 -4.297 553 HB ILE 69 HB ILE 69 4.398 6.687 -4.189 554 1HG1 ILE 69 1HG1 ILE 69 4.696 3.724 -3.968 555 2HG1 ILE 69 2HG1 ILE 69 3.670 4.869 -3.154 556 1HG2 ILE 69 2HG2 ILE 69 5.882 6.885 -6.163 557 2HG2 ILE 69 1HG2 ILE 69 5.414 5.218 -6.551 558 3HG2 ILE 69 3HG2 ILE 69 4.192 6.471 -6.346 559 1HD1 ILE 69 3HD1 ILE 69 2.488 5.230 -5.348 560 2HD1 ILE 69 2HD1 ILE 69 3.575 4.028 -6.066 561 3HD1 ILE 69 1HD1 ILE 69 2.444 3.545 -4.797 562 H ARG 70 H ARG 70 7.712 7.964 -3.204 563 HA ARG 70 HA ARG 70 6.532 8.606 -0.569 564 1HB ARG 70 2HB ARG 70 8.857 9.811 -2.155 565 2HB ARG 70 1HB ARG 70 8.262 10.565 -0.725 566 1HG ARG 70 2HG ARG 70 10.031 9.321 0.067 567 2HG ARG 70 1HG ARG 70 8.635 8.353 0.529 568 1HD ARG 70 2HD ARG 70 9.033 6.824 -1.379 569 2HD ARG 70 1HD ARG 70 10.230 7.947 -2.023 570 HE ARG 70 HE ARG 70 11.801 7.059 -0.632 571 1HH1 ARG 70 1HH2 ARG 70 8.599 6.169 0.609 572 2HH1 ARG 70 2HH2 ARG 70 9.241 5.117 1.823 573 1HH2 ARG 70 2HH1 ARG 70 12.574 5.669 0.989 574 2HH2 ARG 70 1HH1 ARG 70 11.485 4.834 2.043 575 H SER 71 H SER 71 6.421 11.209 -0.445 576 HA SER 71 HA SER 71 4.615 12.058 -2.640 577 1HB SER 71 2HB SER 71 3.470 13.253 -0.492 578 2HB SER 71 1HB SER 71 2.994 11.741 -1.024 579 HG SER 71 HG SER 71 5.020 11.174 1.033 580 H LEU 72 H LEU 72 5.354 13.830 -3.610 581 HA LEU 72 HA LEU 72 6.869 15.803 -2.069 582 1HB LEU 72 2HB LEU 72 6.801 15.621 -5.089 583 2HB LEU 72 1HB LEU 72 8.051 16.237 -4.057 584 HG LEU 72 HG LEU 72 8.880 14.335 -4.866 585 1HD1 LEU 72 1HD1 LEU 72 8.431 14.489 -2.082 586 2HD1 LEU 72 3HD1 LEU 72 8.373 12.780 -2.518 587 3HD1 LEU 72 2HD1 LEU 72 9.762 13.806 -2.936 588 1HD2 LEU 72 2HD2 LEU 72 6.452 13.504 -5.542 589 2HD2 LEU 72 1HD2 LEU 72 7.776 12.406 -5.547 590 3HD2 LEU 72 3HD2 LEU 72 6.681 12.406 -4.175 591 H ASP 73 H ASP 73 6.225 17.615 -1.835 592 HA ASP 73 HA ASP 73 3.522 18.445 -2.307 593 1HB ASP 73 2HB ASP 73 4.353 20.750 -1.562 594 2HB ASP 73 1HB ASP 73 4.719 19.457 -0.432 595 H ASN 74 H ASN 74 6.433 18.780 -4.123 596 HA ASN 74 HA ASN 74 5.043 20.472 -6.130 597 1HB ASN 74 2HB ASN 74 7.350 21.377 -6.645 598 2HB ASN 74 1HB ASN 74 6.817 21.707 -5.009 599 1HD2 ASN 74 2HD2 ASN 74 10.190 20.819 -4.397 600 2HD2 ASN 74 1HD2 ASN 74 9.163 22.126 -4.866 601 H GLY 75 H GLY 75 5.833 17.406 -5.639 602 1HA GLY 75 2HA GLY 75 6.215 16.946 -8.549 603 2HA GLY 75 1HA GLY 75 7.473 16.305 -7.439 604 H GLY 76 H GLY 76 4.323 16.241 -6.258 605 1HA GLY 76 2HA GLY 76 2.657 14.686 -6.036 606 2HA GLY 76 1HA GLY 76 3.213 13.995 -7.577 607 H TYR 77 H TYR 77 4.771 12.368 -7.621 608 HA TYR 77 HA TYR 77 5.319 10.929 -5.108 609 1HB TYR 77 2HB TYR 77 3.810 9.496 -7.437 610 2HB TYR 77 1HB TYR 77 4.478 8.737 -6.026 611 HD1 TYR 77 HD1 TYR 77 1.935 11.115 -7.150 612 HD2 TYR 77 HD2 TYR 77 3.353 8.684 -3.989 613 HE1 TYR 77 HE1 TYR 77 -0.167 11.483 -6.059 614 HE2 TYR 77 HE2 TYR 77 1.347 9.018 -2.747 615 HH TYR 77 HH TYR 77 -1.486 9.607 -3.844 616 H TYR 78 H TYR 78 6.989 9.713 -5.159 617 HA TYR 78 HA TYR 78 8.223 9.048 -7.807 618 1HB TYR 78 2HB TYR 78 10.311 9.977 -7.490 619 2HB TYR 78 1HB TYR 78 9.254 11.202 -6.897 620 HD1 TYR 78 HD2 TYR 78 11.531 8.459 -5.870 621 HD2 TYR 78 HD1 TYR 78 9.544 12.029 -4.610 622 HE1 TYR 78 HE2 TYR 78 12.738 8.337 -3.858 623 HE2 TYR 78 HE1 TYR 78 10.713 11.996 -2.569 624 HH TYR 78 HH TYR 78 13.414 10.627 -1.850 625 H ILE 79 H ILE 79 9.202 7.298 -8.036 626 HA ILE 79 HA ILE 79 9.585 5.417 -5.777 627 HB ILE 79 HB ILE 79 9.217 3.666 -7.773 628 1HG1 ILE 79 1HG1 ILE 79 7.300 5.947 -8.319 629 2HG1 ILE 79 2HG1 ILE 79 8.527 5.328 -9.384 630 1HG2 ILE 79 2HG2 ILE 79 8.461 3.291 -5.608 631 2HG2 ILE 79 1HG2 ILE 79 7.188 4.481 -5.751 632 3HG2 ILE 79 3HG2 ILE 79 7.156 2.993 -6.719 633 1HD1 ILE 79 3HD1 ILE 79 7.175 3.133 -9.399 634 2HD1 ILE 79 2HD1 ILE 79 6.001 3.900 -8.353 635 3HD1 ILE 79 1HD1 ILE 79 6.233 4.545 -9.953 636 H SER 80 H SER 80 11.050 7.248 -7.883 637 HA SER 80 HA SER 80 13.630 6.260 -7.187 638 1HB SER 80 2HB SER 80 13.378 6.887 -10.131 639 2HB SER 80 1HB SER 80 14.492 5.892 -9.351 640 HG SER 80 HG SER 80 11.859 4.475 -9.423 641 HA PRO 81 HA PRO 81 13.085 10.644 -6.723 642 1HB PRO 81 2HB PRO 81 15.979 11.076 -6.428 643 2HB PRO 81 1HB PRO 81 14.645 11.262 -5.249 644 1HG PRO 81 2HG PRO 81 16.501 9.222 -5.078 645 2HG PRO 81 1HG PRO 81 14.847 9.096 -4.498 646 1HD PRO 81 1HD PRO 81 15.958 8.027 -7.055 647 2HD PRO 81 2HD PRO 81 14.785 7.309 -5.913 648 H ARG 82 H ARG 82 15.148 9.443 -9.204 649 HA ARG 82 HA ARG 82 15.320 12.010 -10.549 650 1HB ARG 82 2HB ARG 82 16.522 10.972 -12.301 651 2HB ARG 82 1HB ARG 82 17.152 10.384 -10.792 652 1HG ARG 82 2HG ARG 82 15.200 8.831 -12.572 653 2HG ARG 82 1HG ARG 82 16.935 8.669 -12.617 654 1HD ARG 82 2HD ARG 82 16.866 7.954 -10.139 655 2HD ARG 82 1HD ARG 82 15.125 7.976 -10.281 656 HE ARG 82 HE ARG 82 15.147 6.105 -11.630 657 1HH1 ARG 82 1HH2 ARG 82 18.416 7.226 -11.018 658 2HH1 ARG 82 2HH2 ARG 82 19.169 5.768 -11.578 659 1HH2 ARG 82 2HH1 ARG 82 16.129 4.208 -12.349 660 2HH2 ARG 82 1HH1 ARG 82 17.852 4.038 -12.356 661 H ILE 83 H ILE 83 13.124 9.291 -10.548 662 HA ILE 83 HA ILE 83 11.502 10.640 -12.611 663 HB ILE 83 HB ILE 83 10.431 8.581 -13.148 664 1HG1 ILE 83 1HG1 ILE 83 12.975 7.268 -12.108 665 2HG1 ILE 83 2HG1 ILE 83 11.434 7.237 -11.242 666 1HG2 ILE 83 2HG2 ILE 83 11.976 9.852 -14.617 667 2HG2 ILE 83 1HG2 ILE 83 13.311 8.841 -14.059 668 3HG2 ILE 83 3HG2 ILE 83 11.945 8.140 -14.947 669 1HD1 ILE 83 3HD1 ILE 83 10.369 6.412 -13.349 670 2HD1 ILE 83 2HD1 ILE 83 11.967 6.210 -14.035 671 3HD1 ILE 83 1HD1 ILE 83 11.532 5.229 -12.644 672 H THR 84 H THR 84 10.313 11.678 -11.757 673 HA THR 84 HA THR 84 8.583 10.949 -9.451 674 HB THR 84 HB THR 84 9.101 13.812 -10.325 675 HG1 THR 84 HG1 THR 84 11.541 12.366 -9.415 676 1HG2 THR 84 2HG2 THR 84 7.793 12.850 -8.237 677 2HG2 THR 84 1HG2 THR 84 9.279 13.171 -7.392 678 3HG2 THR 84 3HG2 THR 84 8.538 14.445 -8.294 679 H PHE 85 H PHE 85 6.511 12.085 -9.596 680 HA PHE 85 HA PHE 85 5.554 12.690 -12.338 681 1HB PHE 85 2HB PHE 85 4.319 10.370 -10.737 682 2HB PHE 85 1HB PHE 85 3.808 10.887 -12.324 683 HD1 PHE 85 HD2 PHE 85 5.289 10.464 -14.317 684 HD2 PHE 85 HD1 PHE 85 6.303 8.996 -10.429 685 HE1 PHE 85 HE2 PHE 85 6.957 8.947 -15.312 686 HE2 PHE 85 HE1 PHE 85 7.967 7.485 -11.431 687 HZ PHE 85 HZ PHE 85 8.332 7.484 -13.865 688 HA PRO 86 HA PRO 86 3.278 15.722 -9.994 689 1HB PRO 86 2HB PRO 86 1.036 16.110 -11.633 690 2HB PRO 86 1HB PRO 86 2.638 16.787 -11.885 691 1HG PRO 86 2HG PRO 86 1.465 14.341 -13.164 692 2HG PRO 86 1HG PRO 86 2.433 15.603 -13.938 693 1HD PRO 86 1HD PRO 86 3.545 13.225 -13.241 694 2HD PRO 86 2HD PRO 86 4.475 14.725 -13.065 695 H THR 87 H THR 87 1.881 12.687 -10.652 696 HA THR 87 HA THR 87 0.700 12.462 -8.116 697 HB THR 87 HB THR 87 -1.171 13.695 -9.022 698 HG1 THR 87 HG1 THR 87 -2.089 10.893 -8.606 699 1HG2 THR 87 2HG2 THR 87 -1.140 11.912 -11.446 700 2HG2 THR 87 1HG2 THR 87 -2.455 13.048 -11.015 701 3HG2 THR 87 3HG2 THR 87 -0.820 13.611 -11.257 702 H LEU 88 H LEU 88 -0.639 10.244 -8.186 703 HA LEU 88 HA LEU 88 1.120 8.416 -9.442 704 1HB LEU 88 2HB LEU 88 -1.685 7.748 -8.517 705 2HB LEU 88 1HB LEU 88 -0.444 6.618 -8.900 706 HG LEU 88 HG LEU 88 -0.288 8.668 -6.691 707 1HD1 LEU 88 1HD1 LEU 88 -0.947 5.755 -6.759 708 2HD1 LEU 88 3HD1 LEU 88 -0.772 6.624 -5.242 709 3HD1 LEU 88 2HD1 LEU 88 -2.115 7.018 -6.353 710 1HD2 LEU 88 1HD2 LEU 88 1.376 6.184 -7.271 711 2HD2 LEU 88 3HD2 LEU 88 1.965 7.857 -7.341 712 3HD2 LEU 88 2HD2 LEU 88 1.483 7.133 -5.802 713 H GLN 89 H GLN 89 -1.855 10.076 -10.705 714 HA GLN 89 HA GLN 89 -2.352 7.798 -12.510 715 1HB GLN 89 2HB GLN 89 -3.716 9.436 -14.010 716 2HB GLN 89 1HB GLN 89 -4.289 8.618 -12.626 717 1HG GLN 89 2HG GLN 89 -5.180 10.638 -12.227 718 2HG GLN 89 1HG GLN 89 -3.738 10.819 -11.312 719 1HE2 GLN 89 2HE2 GLN 89 -2.394 12.867 -14.263 720 2HE2 GLN 89 1HE2 GLN 89 -1.972 11.321 -13.612 721 H ALA 90 H ALA 90 -0.241 10.563 -12.841 722 HA ALA 90 HA ALA 90 0.238 9.986 -15.653 723 1HB ALA 90 2HB ALA 90 0.665 12.276 -14.668 724 2HB ALA 90 1HB ALA 90 1.924 11.614 -13.630 725 3HB ALA 90 3HB ALA 90 2.154 11.656 -15.376 726 H LEU 91 H LEU 91 1.319 8.726 -12.686 727 HA LEU 91 HA LEU 91 3.775 7.488 -13.633 728 1HB LEU 91 2HB LEU 91 3.889 8.117 -11.431 729 2HB LEU 91 1HB LEU 91 2.249 7.908 -11.100 730 HG LEU 91 HG LEU 91 4.168 5.551 -11.289 731 1HD1 LEU 91 1HD1 LEU 91 4.924 7.177 -9.516 732 2HD1 LEU 91 3HD1 LEU 91 3.294 7.147 -8.830 733 3HD1 LEU 91 2HD1 LEU 91 4.280 5.703 -8.792 734 1HD2 LEU 91 3HD2 LEU 91 1.402 5.947 -10.009 735 2HD2 LEU 91 2HD2 LEU 91 1.805 4.820 -11.327 736 3HD2 LEU 91 1HD2 LEU 91 2.432 4.529 -9.733 737 H VAL 92 H VAL 92 0.355 6.645 -13.086 738 HA VAL 92 HA VAL 92 0.687 3.865 -13.719 739 HB VAL 92 HB VAL 92 -1.983 5.288 -13.551 740 1HG1 VAL 92 1HG1 VAL 92 -1.777 2.761 -13.744 741 2HG1 VAL 92 3HG1 VAL 92 -1.094 2.825 -12.061 742 3HG1 VAL 92 2HG1 VAL 92 -2.706 3.418 -12.383 743 1HG2 VAL 92 2HG2 VAL 92 -0.107 5.458 -11.301 744 2HG2 VAL 92 1HG2 VAL 92 -1.720 6.133 -11.476 745 3HG2 VAL 92 3HG2 VAL 92 -1.457 4.545 -10.848 746 H GLN 93 H GLN 93 0.531 6.680 -15.566 747 HA GLN 93 HA GLN 93 -1.103 5.599 -17.774 748 1HB GLN 93 2HB GLN 93 -1.356 7.677 -18.651 749 2HB GLN 93 1HB GLN 93 -1.203 8.114 -16.978 750 1HG GLN 93 2HG GLN 93 1.214 8.724 -17.393 751 2HG GLN 93 1HG GLN 93 0.999 8.342 -19.088 752 1HE2 GLN 93 2HE2 GLN 93 0.513 11.996 -18.141 753 2HE2 GLN 93 1HE2 GLN 93 1.632 10.812 -17.557 754 H HIS 94 H HIS 94 2.034 6.947 -16.963 755 HA HIS 94 HA HIS 94 3.408 6.370 -19.337 756 1HB HIS 94 2HB HIS 94 4.196 7.970 -17.561 757 2HB HIS 94 1HB HIS 94 4.421 6.649 -16.435 758 HD1 HIS 94 HD1 HIS 94 6.953 6.759 -16.227 759 HD2 HIS 94 HD2 HIS 94 5.678 6.558 -20.219 760 HE1 HIS 94 HE1 HIS 94 9.018 6.474 -17.658 761 H TYR 95 H TYR 95 2.821 4.585 -16.356 762 HA TYR 95 HA TYR 95 4.488 2.359 -17.144 763 1HB TYR 95 2HB TYR 95 2.525 2.623 -14.848 764 2HB TYR 95 1HB TYR 95 3.528 1.224 -15.140 765 HD1 TYR 95 HD1 TYR 95 5.559 4.030 -16.125 766 HD2 TYR 95 HD2 TYR 95 4.023 2.010 -12.648 767 HE1 TYR 95 HE1 TYR 95 7.226 5.027 -14.873 768 HE2 TYR 95 HE2 TYR 95 5.684 2.993 -11.328 769 HH TYR 95 HH TYR 95 8.532 3.938 -12.301 770 H SER 96 H SER 96 1.192 3.223 -17.822 771 HA SER 96 HA SER 96 0.446 0.486 -18.566 772 1HB SER 96 2HB SER 96 -0.630 3.074 -19.856 773 2HB SER 96 1HB SER 96 -1.333 1.544 -19.941 774 HG SER 96 HG SER 96 -1.459 2.510 -17.094 775 H LYS 97 H LYS 97 2.453 2.762 -20.115 776 HA LYS 97 HA LYS 97 2.541 0.942 -22.485 777 1HB LYS 97 2HB LYS 97 3.431 3.842 -22.036 778 2HB LYS 97 1HB LYS 97 3.869 2.970 -23.471 779 1HG LYS 97 2HG LYS 97 1.960 4.373 -23.916 780 2HG LYS 97 1HG LYS 97 1.496 2.706 -24.115 781 1HD LYS 97 2HD LYS 97 0.221 2.698 -22.100 782 2HD LYS 97 1HD LYS 97 1.000 4.143 -21.486 783 1HE LYS 97 1HE LYS 97 -0.149 5.493 -23.265 784 2HE LYS 97 2HE LYS 97 -0.955 4.027 -23.832 785 1HZ LYS 97 3HZ LYS 97 -1.182 5.190 -21.130 786 2HZ LYS 97 2HZ LYS 97 -2.329 5.304 -22.381 787 3HZ LYS 97 1HZ LYS 97 -1.971 3.797 -21.692 788 H LYS 98 H LYS 98 4.653 2.424 -20.049 789 HA LYS 98 HA LYS 98 6.849 0.527 -20.642 790 1HB LYS 98 2HB LYS 98 6.886 2.803 -21.899 791 2HB LYS 98 1HB LYS 98 7.226 3.567 -20.371 792 1HG LYS 98 2HG LYS 98 8.805 1.188 -21.335 793 2HG LYS 98 1HG LYS 98 9.165 2.787 -21.968 794 1HD LYS 98 2HD LYS 98 9.728 3.594 -19.698 795 2HD LYS 98 1HD LYS 98 9.140 2.098 -19.028 796 1HE LYS 98 1HE LYS 98 11.388 1.587 -19.045 797 2HE LYS 98 2HE LYS 98 10.904 0.951 -20.613 798 1HZ LYS 98 1HZ LYS 98 11.660 3.042 -21.588 799 2HZ LYS 98 3HZ LYS 98 12.069 3.604 -20.035 800 3HZ LYS 98 2HZ LYS 98 12.907 2.289 -20.707 801 H GLY 99 H GLY 99 6.888 -0.498 -18.763 802 1HA GLY 99 2HA GLY 99 6.004 0.169 -16.281 803 2HA GLY 99 1HA GLY 99 7.415 -0.919 -16.566 804 H ASP 100 H ASP 100 9.273 0.771 -17.491 805 HA ASP 100 HA ASP 100 10.924 2.021 -16.950 806 1HB ASP 100 2HB ASP 100 8.990 3.747 -17.530 807 2HB ASP 100 1HB ASP 100 9.093 4.195 -15.850 808 H GLY 101 H GLY 101 11.572 0.665 -15.584 809 1HA GLY 101 2HA GLY 101 13.153 0.694 -13.686 810 2HA GLY 101 1HA GLY 101 11.982 1.731 -12.784 811 H LEU 102 H LEU 102 9.709 0.232 -13.537 812 HA LEU 102 HA LEU 102 9.662 -1.713 -11.438 813 1HB LEU 102 2HB LEU 102 7.680 -1.223 -13.735 814 2HB LEU 102 1HB LEU 102 7.323 -2.081 -12.289 815 HG LEU 102 HG LEU 102 7.536 0.830 -12.784 816 1HD1 LEU 102 3HD1 LEU 102 5.805 -0.946 -11.053 817 2HD1 LEU 102 2HD1 LEU 102 5.654 0.799 -11.061 818 3HD1 LEU 102 1HD1 LEU 102 5.380 -0.097 -12.552 819 1HD2 LEU 102 2HD2 LEU 102 8.346 -0.287 -10.070 820 2HD2 LEU 102 1HD2 LEU 102 9.256 0.853 -11.055 821 3HD2 LEU 102 3HD2 LEU 102 7.737 1.334 -10.322 822 H CYS 103 H CYS 103 10.008 -1.795 -14.885 823 HA CYS 103 HA CYS 103 10.505 -3.289 -16.421 824 1HB CYS 103 2HB CYS 103 11.910 -5.129 -16.008 825 2HB CYS 103 1HB CYS 103 12.332 -3.960 -14.790 826 HG CYS 103 HG CYS 103 12.442 -6.616 -13.720 827 H GLN 104 H GLN 104 7.929 -3.402 -14.681 828 HA GLN 104 HA GLN 104 6.547 -5.431 -16.209 829 1HB GLN 104 2HB GLN 104 6.367 -5.128 -13.119 830 2HB GLN 104 1HB GLN 104 5.351 -6.195 -14.037 831 1HG GLN 104 2HG GLN 104 8.397 -6.559 -13.754 832 2HG GLN 104 1HG GLN 104 7.225 -7.222 -12.656 833 1HE2 GLN 104 2HE2 GLN 104 7.344 -8.712 -16.513 834 2HE2 GLN 104 1HE2 GLN 104 7.726 -7.053 -16.225 835 H LYS 105 H LYS 105 5.627 -4.023 -17.278 836 HA LYS 105 HA LYS 105 4.639 -1.549 -16.165 837 1HB LYS 105 2HB LYS 105 4.471 -0.948 -18.434 838 2HB LYS 105 1HB LYS 105 5.569 -2.299 -18.522 839 1HG LYS 105 2HG LYS 105 3.679 -3.824 -19.209 840 2HG LYS 105 1HG LYS 105 2.571 -2.485 -19.046 841 1HD LYS 105 2HD LYS 105 2.993 -2.648 -21.342 842 2HD LYS 105 1HD LYS 105 3.819 -1.211 -20.787 843 1HE LYS 105 1HE LYS 105 5.970 -2.462 -20.688 844 2HE LYS 105 2HE LYS 105 5.081 -3.938 -21.172 845 1HZ LYS 105 3HZ LYS 105 5.308 -1.451 -22.758 846 2HZ LYS 105 2HZ LYS 105 6.252 -2.845 -23.002 847 3HZ LYS 105 1HZ LYS 105 4.572 -2.897 -23.249 848 H LEU 106 H LEU 106 2.530 -0.923 -16.507 849 HA LEU 106 HA LEU 106 0.655 -2.648 -15.243 850 1HB LEU 106 2HB LEU 106 0.480 -0.016 -16.708 851 2HB LEU 106 1HB LEU 106 -1.003 -0.639 -16.033 852 HG LEU 106 HG LEU 106 0.687 1.209 -14.926 853 1HD1 LEU 106 3HD1 LEU 106 -1.642 0.692 -14.180 854 2HD1 LEU 106 2HD1 LEU 106 -1.035 -0.712 -13.315 855 3HD1 LEU 106 1HD1 LEU 106 -0.512 0.901 -12.827 856 1HD2 LEU 106 3HD2 LEU 106 2.529 -0.544 -14.405 857 2HD2 LEU 106 2HD2 LEU 106 1.815 0.241 -13.029 858 3HD2 LEU 106 1HD2 LEU 106 1.279 -1.373 -13.524 859 H THR 107 H THR 107 -1.074 -3.810 -16.080 860 HA THR 107 HA THR 107 -1.503 -3.634 -19.026 861 HB THR 107 HB THR 107 -1.645 -5.871 -19.363 862 HG1 THR 107 HG1 THR 107 -1.981 -6.633 -16.547 863 1HG2 THR 107 1HG2 THR 107 0.604 -5.057 -19.426 864 2HG2 THR 107 3HG2 THR 107 0.896 -5.330 -17.756 865 3HG2 THR 107 2HG2 THR 107 0.661 -6.701 -18.823 866 H LEU 108 H LEU 108 -2.836 -5.361 -16.334 867 HA LEU 108 HA LEU 108 -5.428 -3.918 -16.835 868 1HB LEU 108 2HB LEU 108 -5.263 -6.833 -16.208 869 2HB LEU 108 1HB LEU 108 -6.700 -5.992 -16.589 870 HG LEU 108 HG LEU 108 -4.483 -6.112 -18.655 871 1HD1 LEU 108 1HD1 LEU 108 -4.758 -8.410 -17.976 872 2HD1 LEU 108 3HD1 LEU 108 -6.502 -8.312 -18.227 873 3HD1 LEU 108 2HD1 LEU 108 -5.392 -8.146 -19.593 874 1HD2 LEU 108 3HD2 LEU 108 -6.406 -4.561 -19.000 875 2HD2 LEU 108 2HD2 LEU 108 -6.340 -5.826 -20.226 876 3HD2 LEU 108 1HD2 LEU 108 -7.514 -5.930 -18.909 877 HA PRO 109 HA PRO 109 -4.546 -3.631 -12.351 878 1HB PRO 109 2HB PRO 109 -6.220 -1.550 -11.770 879 2HB PRO 109 1HB PRO 109 -4.706 -1.373 -12.662 880 1HG PRO 109 2HG PRO 109 -7.475 -1.473 -13.785 881 2HG PRO 109 1HG PRO 109 -6.155 -0.396 -14.258 882 1HD PRO 109 1HD PRO 109 -6.788 -2.798 -15.648 883 2HD PRO 109 2HD PRO 109 -5.179 -2.044 -15.678 884 H CYS 110 H CYS 110 -5.233 -5.512 -12.046 885 HA CYS 110 HA CYS 110 -6.444 -7.322 -11.466 886 1HB CYS 110 2HB CYS 110 -5.783 -6.088 -9.344 887 2HB CYS 110 1HB CYS 110 -7.456 -5.621 -9.183 888 HG CYS 110 HG CYS 110 -8.318 -8.449 -9.278 889 H VAL 111 H VAL 111 -8.971 -6.929 -9.810 890 HA VAL 111 HA VAL 111 -11.021 -6.032 -11.611 891 HB VAL 111 HB VAL 111 -10.506 -8.088 -12.826 892 1HG1 VAL 111 1HG1 VAL 111 -9.421 -9.420 -11.040 893 2HG1 VAL 111 3HG1 VAL 111 -10.986 -9.675 -10.271 894 3HG1 VAL 111 2HG1 VAL 111 -10.667 -10.340 -11.865 895 1HG2 VAL 111 3HG2 VAL 111 -12.915 -7.426 -12.660 896 2HG2 VAL 111 2HG2 VAL 111 -12.710 -9.160 -12.872 897 3HG2 VAL 111 1HG2 VAL 111 -13.115 -8.513 -11.288 898 H ASN 112 H ASN 112 -12.823 -5.633 -10.478 899 HA ASN 112 HA ASN 112 -12.783 -5.459 -7.715 900 1HB ASN 112 2HB ASN 112 -15.257 -5.590 -9.519 901 2HB ASN 112 1HB ASN 112 -15.227 -5.017 -7.859 902 1HD2 ASN 112 2HD2 ASN 112 -15.126 -2.070 -10.015 903 2HD2 ASN 112 1HD2 ASN 112 -16.189 -3.395 -9.701 904 H LEU 113 H LEU 113 -12.239 -7.164 -6.600 905 HA LEU 113 HA LEU 113 -14.215 -9.023 -5.782 906 1HB LEU 113 2HB LEU 113 -13.622 -10.163 -7.943 907 2HB LEU 113 1HB LEU 113 -11.936 -10.122 -7.541 908 HG LEU 113 HG LEU 113 -12.385 -11.659 -5.595 909 1HD1 LEU 113 3HD1 LEU 113 -15.217 -11.778 -6.730 910 2HD1 LEU 113 2HD1 LEU 113 -14.567 -12.858 -5.498 911 3HD1 LEU 113 1HD1 LEU 113 -14.756 -11.148 -5.150 912 1HD2 LEU 113 1HD2 LEU 113 -11.621 -12.570 -7.757 913 2HD2 LEU 113 3HD2 LEU 113 -12.734 -13.690 -6.984 914 3HD2 LEU 113 2HD2 LEU 113 -13.286 -12.688 -8.327 915 H ALA 114 HN ALA 114 -10.743 -9.173 -6.236 916 HA ALA 114 HA ALA 114 -8.949 -8.991 -4.891 917 1HB ALA 114 3HB ALA 114 -10.043 -7.099 -3.680 918 2HB ALA 114 2HB ALA 114 -10.815 -8.230 -2.573 919 3HB ALA 114 1HB ALA 114 -9.073 -8.079 -2.582 No H/Q in entry = 919 Start of MODEL 19 1 1H GLY 1 2H GLY 1 -34.301 0.463 -7.361 2 2H GLY 1 1H GLY 1 -32.662 0.871 -7.231 3 3H GLY 1 3H GLY 1 -33.404 0.833 -8.759 4 1HA GLY 1 2HA GLY 1 -33.755 -1.493 -8.600 5 2HA GLY 1 1HA GLY 1 -32.014 -1.072 -8.388 6 H SER 2 H SER 2 -31.459 -2.869 -7.282 7 HA SER 2 HA SER 2 -32.904 -3.680 -4.869 8 1HB SER 2 2HB SER 2 -31.615 -5.647 -4.993 9 2HB SER 2 1HB SER 2 -31.766 -5.214 -6.611 10 HG SER 2 HG SER 2 -29.137 -4.170 -5.603 11 H VAL 3 H VAL 3 -30.736 -4.571 -3.402 12 HA VAL 3 HA VAL 3 -29.128 -2.229 -2.655 13 HB VAL 3 HB VAL 3 -30.745 -3.934 -0.684 14 1HG1 VAL 3 2HG1 VAL 3 -28.891 -1.568 -0.138 15 2HG1 VAL 3 1HG1 VAL 3 -29.909 -2.354 1.066 16 3HG1 VAL 3 3HG1 VAL 3 -28.592 -3.243 0.320 17 1HG2 VAL 3 2HG2 VAL 3 -31.133 -1.009 -1.499 18 2HG2 VAL 3 1HG2 VAL 3 -32.256 -2.333 -1.802 19 3HG2 VAL 3 3HG2 VAL 3 -31.966 -1.794 -0.159 20 H ALA 4 H ALA 4 -27.114 -2.784 -2.642 21 HA ALA 4 HA ALA 4 -26.277 -5.384 -1.595 22 1HB ALA 4 3HB ALA 4 -25.871 -4.548 -4.538 23 2HB ALA 4 2HB ALA 4 -25.038 -5.911 -3.819 24 3HB ALA 4 1HB ALA 4 -26.783 -5.947 -3.970 25 HA PRO 5 HA PRO 5 -22.753 -2.932 -0.502 26 1HB PRO 5 2HB PRO 5 -20.715 -4.829 -0.366 27 2HB PRO 5 1HB PRO 5 -22.040 -4.755 0.788 28 1HG PRO 5 2HG PRO 5 -21.819 -6.563 -1.604 29 2HG PRO 5 1HG PRO 5 -22.331 -7.002 0.032 30 1HD PRO 5 1HD PRO 5 -24.151 -6.535 -1.949 31 2HD PRO 5 2HD PRO 5 -24.494 -6.082 -0.271 32 H VAL 6 H VAL 6 -21.524 -1.603 -1.569 33 HA VAL 6 HA VAL 6 -20.162 -0.665 -3.080 34 HB VAL 6 HB VAL 6 -19.626 -3.453 -4.225 35 1HG1 VAL 6 2HG1 VAL 6 -18.170 -0.832 -4.687 36 2HG1 VAL 6 1HG1 VAL 6 -17.580 -2.426 -5.164 37 3HG1 VAL 6 3HG1 VAL 6 -19.050 -1.794 -5.879 38 1HG2 VAL 6 2HG2 VAL 6 -18.036 -1.816 -2.191 39 2HG2 VAL 6 1HG2 VAL 6 -18.924 -3.298 -1.838 40 3HG2 VAL 6 3HG2 VAL 6 -17.531 -3.347 -2.900 41 H GLU 7 H GLU 7 -21.401 -3.246 -5.151 42 HA GLU 7 HA GLU 7 -22.770 -3.338 -6.898 43 1HB GLU 7 2HB GLU 7 -24.354 -2.198 -5.254 44 2HB GLU 7 1HB GLU 7 -23.930 -0.668 -5.922 45 1HG GLU 7 2HG GLU 7 -25.981 -1.197 -6.928 46 2HG GLU 7 1HG GLU 7 -24.834 -1.507 -8.202 47 H THR 8 H THR 8 -20.617 -0.740 -6.574 48 HA THR 8 HA THR 8 -20.384 -0.286 -9.461 49 HB THR 8 HB THR 8 -20.293 2.237 -8.723 50 HG1 THR 8 HG1 THR 8 -21.227 1.243 -6.057 51 1HG2 THR 8 3HG2 THR 8 -22.121 1.450 -9.997 52 2HG2 THR 8 2HG2 THR 8 -23.032 0.828 -8.651 53 3HG2 THR 8 1HG2 THR 8 -22.740 2.556 -8.791 54 H LEU 9 H LEU 9 -18.326 0.265 -10.066 55 HA LEU 9 HA LEU 9 -16.262 0.608 -7.928 56 1HB LEU 9 2HB LEU 9 -16.050 -0.972 -10.538 57 2HB LEU 9 1HB LEU 9 -14.730 -0.757 -9.419 58 HG LEU 9 HG LEU 9 -17.349 -2.141 -8.665 59 1HD1 LEU 9 2HD1 LEU 9 -16.260 -3.393 -10.493 60 2HD1 LEU 9 1HD1 LEU 9 -14.763 -3.440 -9.568 61 3HD1 LEU 9 3HD1 LEU 9 -16.188 -4.284 -8.976 62 1HD2 LEU 9 2HD2 LEU 9 -15.984 -1.286 -6.722 63 2HD2 LEU 9 1HD2 LEU 9 -16.054 -3.039 -6.760 64 3HD2 LEU 9 3HD2 LEU 9 -14.605 -2.222 -7.312 65 H GLU 10 H GLU 10 -14.174 1.445 -8.955 66 HA GLU 10 HA GLU 10 -14.609 3.269 -11.237 67 1HB GLU 10 2HB GLU 10 -13.800 5.264 -9.889 68 2HB GLU 10 1HB GLU 10 -15.409 4.741 -9.560 69 1HG GLU 10 2HG GLU 10 -13.116 3.787 -7.749 70 2HG GLU 10 1HG GLU 10 -13.837 5.358 -7.551 71 H VAL 11 H VAL 11 -12.085 4.314 -9.264 72 HA VAL 11 HA VAL 11 -10.065 3.281 -11.088 73 HB VAL 11 HB VAL 11 -8.543 4.720 -9.766 74 1HG1 VAL 11 2HG1 VAL 11 -9.878 5.756 -11.580 75 2HG1 VAL 11 1HG1 VAL 11 -11.135 6.190 -10.420 76 3HG1 VAL 11 3HG1 VAL 11 -9.528 6.899 -10.290 77 1HG2 VAL 11 2HG2 VAL 11 -9.507 4.402 -7.475 78 2HG2 VAL 11 1HG2 VAL 11 -9.387 6.105 -7.870 79 3HG2 VAL 11 3HG2 VAL 11 -10.948 5.297 -7.942 80 H GLU 12 H GLU 12 -11.643 1.646 -9.023 81 HA GLU 12 HA GLU 12 -10.325 0.724 -6.910 82 1HB GLU 12 2HB GLU 12 -12.359 -0.314 -8.842 83 2HB GLU 12 1HB GLU 12 -11.693 -1.530 -7.804 84 1HG GLU 12 2HG GLU 12 -12.691 1.101 -6.607 85 2HG GLU 12 1HG GLU 12 -13.805 -0.197 -6.964 86 H LYS 13 H LYS 13 -9.260 -0.858 -6.360 87 HA LYS 13 HA LYS 13 -7.674 -2.260 -6.064 88 1HB LYS 13 2HB LYS 13 -7.959 -3.007 -8.908 89 2HB LYS 13 1HB LYS 13 -7.066 -3.936 -7.702 90 1HG LYS 13 2HG LYS 13 -10.018 -3.267 -7.752 91 2HG LYS 13 1HG LYS 13 -9.293 -4.865 -7.917 92 1HD LYS 13 2HD LYS 13 -8.565 -4.668 -5.505 93 2HD LYS 13 1HD LYS 13 -9.401 -3.132 -5.418 94 1HE LYS 13 1HE LYS 13 -10.827 -5.723 -6.125 95 2HE LYS 13 2HE LYS 13 -10.774 -5.032 -4.508 96 1HZ LYS 13 3HZ LYS 13 -11.824 -3.621 -6.867 97 2HZ LYS 13 2HZ LYS 13 -12.761 -4.436 -5.700 98 3HZ LYS 13 1HZ LYS 13 -11.840 -3.084 -5.273 99 H TRP 14 H TRP 14 -6.931 -0.264 -9.068 100 HA TRP 14 HA TRP 14 -4.165 -0.566 -8.401 101 1HB TRP 14 2HB TRP 14 -3.427 0.794 -10.013 102 2HB TRP 14 1HB TRP 14 -4.909 0.239 -10.684 103 HD1 TRP 14 HD1 TRP 14 -6.312 2.089 -11.848 104 HE1 TRP 14 HE1 TRP 14 -6.124 4.610 -12.051 105 HE3 TRP 14 HE3 TRP 14 -2.890 2.986 -8.141 106 HZ2 TRP 14 HZ2 TRP 14 -4.507 6.779 -10.800 107 HZ3 TRP 14 HZ3 TRP 14 -2.193 5.307 -7.673 108 HH2 TRP 14 HH2 TRP 14 -3.090 7.166 -9.001 109 H PHE 15 H PHE 15 -6.662 1.718 -7.473 110 HA PHE 15 HA PHE 15 -4.791 2.777 -5.412 111 1HB PHE 15 2HB PHE 15 -5.687 4.372 -7.255 112 2HB PHE 15 1HB PHE 15 -7.231 4.295 -6.444 113 HD1 PHE 15 HD2 PHE 15 -3.593 4.820 -5.738 114 HD2 PHE 15 HD1 PHE 15 -7.611 5.831 -4.674 115 HE1 PHE 15 HE2 PHE 15 -2.756 6.506 -4.135 116 HE2 PHE 15 HE1 PHE 15 -6.766 7.518 -3.085 117 HZ PHE 15 HZ PHE 15 -4.332 7.863 -2.826 118 H PHE 16 H PHE 16 -5.064 2.060 -3.576 119 HA PHE 16 HA PHE 16 -7.744 1.686 -2.374 120 1HB PHE 16 2HB PHE 16 -5.327 -0.198 -2.534 121 2HB PHE 16 1HB PHE 16 -5.967 -0.066 -0.945 122 HD1 PHE 16 HD2 PHE 16 -8.975 0.116 -1.613 123 HD2 PHE 16 HD1 PHE 16 -5.814 -2.452 -2.964 124 HE1 PHE 16 HE2 PHE 16 -10.602 -1.651 -2.080 125 HE2 PHE 16 HE1 PHE 16 -7.500 -4.190 -3.514 126 HZ PHE 16 HZ PHE 16 -9.862 -3.811 -2.971 127 H ARG 17 H ARG 17 -7.776 2.107 -0.065 128 HA ARG 17 HA ARG 17 -6.042 4.278 0.624 129 1HB ARG 17 2HB ARG 17 -7.935 2.551 2.307 130 2HB ARG 17 1HB ARG 17 -6.762 3.529 3.126 131 1HG ARG 17 2HG ARG 17 -7.556 5.499 1.788 132 2HG ARG 17 1HG ARG 17 -8.946 4.524 1.305 133 1HD ARG 17 2HD ARG 17 -9.841 5.543 3.224 134 2HD ARG 17 1HD ARG 17 -9.068 4.193 4.060 135 HE ARG 17 HE ARG 17 -8.191 7.000 3.880 136 1HH1 ARG 17 1HH2 ARG 17 -7.464 3.768 5.093 137 2HH1 ARG 17 2HH2 ARG 17 -6.200 4.321 6.141 138 1HH2 ARG 17 2HH1 ARG 17 -6.557 7.680 5.254 139 2HH2 ARG 17 1HH1 ARG 17 -5.675 6.541 6.214 140 H THR 18 H THR 18 -6.270 1.208 2.316 141 HA THR 18 HA THR 18 -3.497 0.578 1.977 142 HB THR 18 HB THR 18 -2.751 1.903 3.699 143 HG1 THR 18 HG1 THR 18 -3.483 -0.533 5.204 144 1HG2 THR 18 2HG2 THR 18 -4.783 3.160 4.065 145 2HG2 THR 18 1HG2 THR 18 -5.482 1.963 5.106 146 3HG2 THR 18 3HG2 THR 18 -3.982 2.819 5.571 147 H ILE 19 H ILE 19 -4.340 -1.282 1.229 148 HA ILE 19 HA ILE 19 -5.925 -2.987 3.033 149 HB ILE 19 HB ILE 19 -5.939 -2.903 0.421 150 1HG1 ILE 19 1HG1 ILE 19 -5.799 -5.517 1.791 151 2HG1 ILE 19 2HG1 ILE 19 -7.212 -4.566 1.518 152 1HG2 ILE 19 3HG2 ILE 19 -3.396 -3.052 0.231 153 2HG2 ILE 19 2HG2 ILE 19 -3.619 -4.785 0.493 154 3HG2 ILE 19 1HG2 ILE 19 -4.392 -3.977 -0.884 155 1HD1 ILE 19 1HD1 ILE 19 -6.913 -4.801 -0.981 156 2HD1 ILE 19 3HD1 ILE 19 -5.523 -5.842 -0.718 157 3HD1 ILE 19 2HD1 ILE 19 -7.131 -6.367 -0.205 158 H SER 20 H SER 20 -4.769 -5.276 3.499 159 HA SER 20 HA SER 20 -2.269 -4.358 4.711 160 1HB SER 20 2HB SER 20 -3.599 -6.206 5.851 161 2HB SER 20 1HB SER 20 -3.334 -7.235 4.540 162 HG SER 20 HG SER 20 -0.666 -6.700 5.774 163 H ARG 21 H ARG 21 -0.255 -5.269 4.353 164 HA ARG 21 HA ARG 21 0.698 -5.051 1.798 165 1HB ARG 21 2HB ARG 21 2.033 -5.273 4.104 166 2HB ARG 21 1HB ARG 21 2.098 -6.961 3.746 167 1HG ARG 21 2HG ARG 21 3.987 -6.510 2.568 168 2HG ARG 21 1HG ARG 21 2.927 -5.919 1.328 169 1HD ARG 21 2HD ARG 21 4.559 -4.191 1.662 170 2HD ARG 21 1HD ARG 21 3.117 -3.568 2.480 171 HE ARG 21 HE ARG 21 4.536 -5.015 4.397 172 1HH1 ARG 21 1HH2 ARG 21 5.125 -2.237 2.302 173 2HH1 ARG 21 2HH2 ARG 21 6.263 -1.502 3.381 174 1HH2 ARG 21 2HH1 ARG 21 6.035 -4.042 5.778 175 2HH2 ARG 21 1HH1 ARG 21 6.789 -2.540 5.368 176 H LYS 22 H LYS 22 -0.181 -8.189 3.395 177 HA LYS 22 HA LYS 22 0.556 -9.595 0.955 178 1HB LYS 22 2HB LYS 22 -0.041 -11.598 1.928 179 2HB LYS 22 1HB LYS 22 0.806 -10.692 3.179 180 1HG LYS 22 2HG LYS 22 -2.204 -11.201 2.936 181 2HG LYS 22 1HG LYS 22 -1.103 -11.984 4.047 182 1HD LYS 22 2HD LYS 22 -0.631 -9.814 5.094 183 2HD LYS 22 1HD LYS 22 -1.761 -9.065 3.944 184 1HE LYS 22 1HE LYS 22 -2.893 -9.373 6.128 185 2HE LYS 22 2HE LYS 22 -3.640 -10.382 4.904 186 1HZ LYS 22 2HZ LYS 22 -2.387 -12.245 5.724 187 2HZ LYS 22 1HZ LYS 22 -1.690 -11.268 6.924 188 3HZ LYS 22 3HZ LYS 22 -3.365 -11.548 6.919 189 H ASP 23 H ASP 23 -2.138 -7.930 2.029 190 HA ASP 23 HA ASP 23 -4.069 -9.673 0.809 191 1HB ASP 23 2HB ASP 23 -4.286 -6.805 1.887 192 2HB ASP 23 1HB ASP 23 -5.633 -7.511 1.060 193 H ALA 24 H ALA 24 -2.311 -6.910 0.020 194 HA ALA 24 HA ALA 24 -3.645 -6.332 -2.527 195 1HB ALA 24 2HB ALA 24 -1.053 -5.414 -1.198 196 2HB ALA 24 1HB ALA 24 -1.483 -4.956 -2.879 197 3HB ALA 24 3HB ALA 24 -2.551 -4.525 -1.556 198 H GLU 25 H GLU 25 -1.156 -8.462 -1.364 199 HA GLU 25 HA GLU 25 -0.186 -9.102 -4.031 200 1HB GLU 25 2HB GLU 25 0.448 -10.461 -1.345 201 2HB GLU 25 1HB GLU 25 1.216 -10.757 -2.877 202 1HG GLU 25 2HG GLU 25 1.842 -8.129 -2.720 203 2HG GLU 25 1HG GLU 25 1.534 -8.388 -1.043 204 H ARG 26 H ARG 26 -2.737 -10.015 -1.815 205 HA ARG 26 HA ARG 26 -2.841 -12.761 -2.673 206 1HB ARG 26 2HB ARG 26 -4.652 -13.004 -1.233 207 2HB ARG 26 1HB ARG 26 -3.895 -11.602 -0.560 208 1HG ARG 26 2HG ARG 26 -5.738 -10.331 -2.164 209 2HG ARG 26 1HG ARG 26 -6.504 -11.869 -2.009 210 1HD ARG 26 2HD ARG 26 -6.086 -11.443 0.633 211 2HD ARG 26 1HD ARG 26 -6.033 -9.752 0.081 212 HE ARG 26 HE ARG 26 -8.278 -10.988 -1.089 213 1HH1 ARG 26 1HH2 ARG 26 -7.031 -10.056 2.095 214 2HH1 ARG 26 2HH2 ARG 26 -8.604 -9.777 2.751 215 1HH2 ARG 26 2HH1 ARG 26 -10.324 -10.626 -0.161 216 2HH2 ARG 26 1HH1 ARG 26 -10.462 -10.118 1.486 217 H GLN 27 H GLN 27 -4.172 -9.750 -3.586 218 HA GLN 27 HA GLN 27 -6.030 -10.818 -5.553 219 1HB GLN 27 2HB GLN 27 -5.023 -7.935 -5.316 220 2HB GLN 27 1HB GLN 27 -6.371 -8.490 -6.286 221 1HG GLN 27 2HG GLN 27 -7.333 -9.448 -4.012 222 2HG GLN 27 1HG GLN 27 -6.174 -8.373 -3.252 223 1HE2 GLN 27 2HE2 GLN 27 -8.772 -6.049 -3.155 224 2HE2 GLN 27 1HE2 GLN 27 -7.718 -7.126 -2.297 225 H LEU 28 H LEU 28 -2.655 -9.569 -5.725 226 HA LEU 28 HA LEU 28 -2.768 -9.767 -8.588 227 1HB LEU 28 2HB LEU 28 -0.455 -9.139 -6.797 228 2HB LEU 28 1HB LEU 28 -0.417 -8.995 -8.551 229 HG LEU 28 HG LEU 28 -2.370 -7.564 -6.763 230 1HD1 LEU 28 2HD1 LEU 28 0.041 -6.854 -6.518 231 2HD1 LEU 28 1HD1 LEU 28 0.051 -6.454 -8.233 232 3HD1 LEU 28 3HD1 LEU 28 -0.996 -5.569 -7.119 233 1HD2 LEU 28 3HD2 LEU 28 -1.994 -7.622 -9.759 234 2HD2 LEU 28 2HD2 LEU 28 -3.482 -7.691 -8.841 235 3HD2 LEU 28 1HD2 LEU 28 -2.628 -6.166 -8.994 236 H LEU 29 H LEU 29 -1.178 -11.780 -5.961 237 HA LEU 29 HA LEU 29 -0.008 -13.679 -7.585 238 1HB LEU 29 2HB LEU 29 -1.279 -13.878 -4.836 239 2HB LEU 29 1HB LEU 29 -0.387 -15.196 -5.526 240 HG LEU 29 HG LEU 29 0.852 -12.426 -5.192 241 1HD1 LEU 29 2HD1 LEU 29 0.082 -13.209 -3.037 242 2HD1 LEU 29 1HD1 LEU 29 0.951 -14.733 -3.231 243 3HD1 LEU 29 3HD1 LEU 29 1.841 -13.207 -3.122 244 1HD2 LEU 29 3HD2 LEU 29 1.951 -15.216 -5.911 245 2HD2 LEU 29 2HD2 LEU 29 2.215 -13.672 -6.702 246 3HD2 LEU 29 1HD2 LEU 29 2.952 -13.985 -5.146 247 H ALA 30 H ALA 30 -3.407 -13.065 -7.148 248 HA ALA 30 HA ALA 30 -4.356 -15.739 -7.495 249 1HB ALA 30 3HB ALA 30 -5.775 -13.884 -6.578 250 2HB ALA 30 2HB ALA 30 -5.705 -13.038 -8.122 251 3HB ALA 30 1HB ALA 30 -6.542 -14.579 -7.999 252 HA PRO 31 HA PRO 31 -3.671 -16.261 -11.843 253 1HB PRO 31 2HB PRO 31 -5.631 -18.123 -12.469 254 2HB PRO 31 1HB PRO 31 -4.187 -18.471 -11.528 255 1HG PRO 31 2HG PRO 31 -6.920 -17.826 -10.457 256 2HG PRO 31 1HG PRO 31 -5.836 -19.135 -9.935 257 1HD PRO 31 1HD PRO 31 -6.040 -16.823 -8.546 258 2HD PRO 31 2HD PRO 31 -4.474 -17.655 -8.714 259 H MET 32 H MET 32 -6.135 -14.329 -10.716 260 HA MET 32 HA MET 32 -8.019 -14.119 -12.669 261 1HB MET 32 2HB MET 32 -6.706 -12.375 -10.562 262 2HB MET 32 1HB MET 32 -7.992 -11.737 -11.497 263 1HG MET 32 2HG MET 32 -9.624 -13.103 -10.537 264 2HG MET 32 1HG MET 32 -8.501 -14.395 -10.164 265 1HE MET 32 3HE MET 32 -8.043 -10.577 -9.446 266 2HE MET 32 2HE MET 32 -9.736 -10.746 -8.968 267 3HE MET 32 1HE MET 32 -8.481 -10.449 -7.742 268 H ASN 33 H ASN 33 -4.824 -12.624 -12.320 269 HA ASN 33 HA ASN 33 -4.939 -11.695 -15.139 270 1HB ASN 33 2HB ASN 33 -4.007 -9.958 -12.749 271 2HB ASN 33 1HB ASN 33 -3.892 -9.469 -14.425 272 1HD2 ASN 33 2HD2 ASN 33 -7.438 -9.354 -12.434 273 2HD2 ASN 33 1HD2 ASN 33 -6.102 -10.231 -11.784 274 H LYS 34 H LYS 34 -2.470 -10.306 -14.980 275 HA LYS 34 HA LYS 34 -0.428 -12.127 -14.124 276 1HB LYS 34 2HB LYS 34 0.591 -11.970 -16.575 277 2HB LYS 34 1HB LYS 34 -0.467 -13.240 -16.063 278 1HG LYS 34 2HG LYS 34 -1.109 -12.418 -18.263 279 2HG LYS 34 1HG LYS 34 -2.385 -12.229 -17.102 280 1HD LYS 34 2HD LYS 34 -2.426 -10.215 -18.308 281 2HD LYS 34 1HD LYS 34 -1.634 -9.804 -16.815 282 1HE LYS 34 1HE LYS 34 0.462 -9.489 -17.843 283 2HE LYS 34 2HE LYS 34 0.099 -10.597 -19.172 284 1HZ LYS 34 2HZ LYS 34 -1.111 -7.958 -18.768 285 2HZ LYS 34 1HZ LYS 34 0.113 -8.344 -19.882 286 3HZ LYS 34 3HZ LYS 34 -1.433 -9.024 -20.054 287 H ALA 35 H ALA 35 1.597 -11.253 -14.397 288 HA ALA 35 HA ALA 35 2.453 -9.040 -13.335 289 1HB ALA 35 3HB ALA 35 3.979 -10.715 -14.365 290 2HB ALA 35 2HB ALA 35 3.681 -10.037 -15.961 291 3HB ALA 35 1HB ALA 35 4.499 -9.078 -14.724 292 H GLY 36 H GLY 36 1.905 -6.993 -13.386 293 1HA GLY 36 2HA GLY 36 1.999 -4.994 -14.519 294 2HA GLY 36 1HA GLY 36 1.209 -5.674 -15.961 295 H SER 37 H SER 37 -0.558 -7.206 -14.039 296 HA SER 37 HA SER 37 -2.519 -5.312 -13.265 297 1HB SER 37 2HB SER 37 -3.298 -7.367 -11.808 298 2HB SER 37 1HB SER 37 -3.343 -7.609 -13.468 299 HG SER 37 HG SER 37 -0.754 -8.687 -12.730 300 H PHE 38 H PHE 38 -2.325 -3.860 -11.650 301 HA PHE 38 HA PHE 38 -0.356 -4.404 -9.471 302 1HB PHE 38 2HB PHE 38 -1.020 -1.841 -11.096 303 2HB PHE 38 1HB PHE 38 -0.266 -1.704 -9.557 304 HD1 PHE 38 HD1 PHE 38 0.906 -4.327 -12.020 305 HD2 PHE 38 HD2 PHE 38 1.451 -0.471 -10.358 306 HE1 PHE 38 HE1 PHE 38 3.118 -4.118 -13.100 307 HE2 PHE 38 HE2 PHE 38 3.767 -0.426 -11.142 308 HZ PHE 38 HZ PHE 38 4.590 -2.277 -12.595 309 H LEU 39 H LEU 39 -0.573 -2.770 -7.834 310 HA LEU 39 HA LEU 39 -3.147 -1.943 -6.633 311 1HB LEU 39 2HB LEU 39 -0.925 -3.736 -5.645 312 2HB LEU 39 1HB LEU 39 -1.543 -2.693 -4.452 313 HG LEU 39 HG LEU 39 -2.361 -5.088 -4.610 314 1HD1 LEU 39 1HD1 LEU 39 -3.113 -3.179 -3.161 315 2HD1 LEU 39 3HD1 LEU 39 -4.253 -2.729 -4.394 316 3HD1 LEU 39 2HD1 LEU 39 -4.464 -4.278 -3.530 317 1HD2 LEU 39 2HD2 LEU 39 -3.178 -5.188 -6.948 318 2HD2 LEU 39 1HD2 LEU 39 -4.382 -5.534 -5.704 319 3HD2 LEU 39 3HD2 LEU 39 -4.421 -3.976 -6.552 320 H ILE 40 H ILE 40 -2.700 -0.200 -4.936 321 HA ILE 40 HA ILE 40 0.122 0.494 -4.541 322 HB ILE 40 HB ILE 40 -1.080 1.748 -6.802 323 1HG1 ILE 40 1HG1 ILE 40 0.730 3.597 -5.155 324 2HG1 ILE 40 2HG1 ILE 40 1.377 2.065 -5.668 325 1HG2 ILE 40 2HG2 ILE 40 -2.683 2.937 -5.333 326 2HG2 ILE 40 1HG2 ILE 40 -1.274 3.746 -4.571 327 3HG2 ILE 40 3HG2 ILE 40 -1.602 3.966 -6.261 328 1HD1 ILE 40 3HD1 ILE 40 0.574 2.635 -8.113 329 2HD1 ILE 40 1HD1 ILE 40 0.229 4.205 -7.565 330 3HD1 ILE 40 2HD1 ILE 40 1.881 3.632 -7.482 331 H ARG 41 H ARG 41 -0.408 -0.257 -2.471 332 HA ARG 41 HA ARG 41 -2.680 0.964 -1.089 333 1HB ARG 41 2HB ARG 41 -2.700 -0.917 0.168 334 2HB ARG 41 1HB ARG 41 -2.176 -1.519 -1.352 335 1HG ARG 41 2HG ARG 41 -0.794 -2.661 0.108 336 2HG ARG 41 1HG ARG 41 0.273 -1.352 -0.340 337 1HD ARG 41 2HD ARG 41 -0.073 -0.228 1.768 338 2HD ARG 41 1HD ARG 41 -1.547 -1.106 2.114 339 HE ARG 41 HE ARG 41 0.634 -2.921 1.969 340 1HH1 ARG 41 1HH2 ARG 41 -0.688 -0.241 3.878 341 2HH1 ARG 41 2HH2 ARG 41 -0.060 -0.838 5.375 342 1HH2 ARG 41 2HH1 ARG 41 1.467 -3.645 3.994 343 2HH2 ARG 41 1HH1 ARG 41 1.183 -2.730 5.438 344 H GLU 42 H GLU 42 -2.427 2.534 0.404 345 HA GLU 42 HA GLU 42 0.080 3.721 0.843 346 1HB GLU 42 2HB GLU 42 -0.807 5.356 2.168 347 2HB GLU 42 1HB GLU 42 -2.246 4.844 1.342 348 1HG GLU 42 2HG GLU 42 -3.090 3.782 3.243 349 2HG GLU 42 1HG GLU 42 -1.630 3.823 4.189 350 H SER 43 H SER 43 1.346 4.049 2.632 351 HA SER 43 HA SER 43 1.712 1.589 4.203 352 1HB SER 43 1HB SER 43 3.822 3.130 3.535 353 2HB SER 43 2HB SER 43 2.950 4.330 3.958 354 HG SER 43 HG SER 43 3.498 2.885 6.498 355 H GLU 44 H GLU 44 0.640 1.376 6.234 356 HA GLU 44 HA GLU 44 -1.134 3.595 6.897 357 1HB GLU 44 2HB GLU 44 -1.871 1.925 8.762 358 2HB GLU 44 1HB GLU 44 -2.265 1.790 7.084 359 1HG GLU 44 2HG GLU 44 -1.596 -0.425 8.063 360 2HG GLU 44 1HG GLU 44 -0.607 0.046 6.709 361 H SER 45 H SER 45 1.851 3.802 7.304 362 HA SER 45 HA SER 45 1.893 4.875 10.104 363 1HB SER 45 2HB SER 45 4.092 3.813 10.425 364 2HB SER 45 1HB SER 45 2.987 2.632 9.922 365 HG SER 45 HG SER 45 4.505 3.597 7.512 366 H ASN 46 H ASN 46 2.293 5.469 6.819 367 HA ASN 46 HA ASN 46 4.753 6.979 6.793 368 1HB ASN 46 2HB ASN 46 4.043 7.342 4.395 369 2HB ASN 46 1HB ASN 46 3.984 5.727 4.868 370 1HD2 ASN 46 2HD2 ASN 46 0.099 7.016 5.011 371 2HD2 ASN 46 1HD2 ASN 46 1.170 7.465 6.269 372 H LYS 47 H LYS 47 4.758 8.919 5.477 373 HA LYS 47 HA LYS 47 2.841 10.859 6.202 374 1HB LYS 47 2HB LYS 47 4.725 12.530 5.507 375 2HB LYS 47 1HB LYS 47 4.786 11.674 7.023 376 1HG LYS 47 2HG LYS 47 6.979 11.567 5.970 377 2HG LYS 47 1HG LYS 47 6.233 10.000 6.184 378 1HD LYS 47 2HD LYS 47 7.208 9.962 3.981 379 2HD LYS 47 1HD LYS 47 5.481 10.045 3.818 380 1HE LYS 47 1HE LYS 47 6.133 12.769 3.796 381 2HE LYS 47 2HE LYS 47 7.563 12.070 3.063 382 1HZ LYS 47 3HZ LYS 47 6.055 10.945 1.514 383 2HZ LYS 47 2HZ LYS 47 4.778 11.842 2.202 384 3HZ LYS 47 1HZ LYS 47 6.036 12.649 1.419 385 H GLY 48 H GLY 48 1.837 9.232 4.629 386 1HA GLY 48 2HA GLY 48 0.375 9.357 2.915 387 2HA GLY 48 1HA GLY 48 1.144 10.859 2.315 388 H ALA 49 H ALA 49 2.982 7.957 3.025 389 HA ALA 49 HA ALA 49 3.785 7.749 0.191 390 1HB ALA 49 3HB ALA 49 5.393 7.406 2.132 391 2HB ALA 49 2HB ALA 49 4.564 5.874 2.498 392 3HB ALA 49 1HB ALA 49 5.432 6.103 0.972 393 H PHE 50 H PHE 50 4.049 5.452 -0.711 394 HA PHE 50 HA PHE 50 1.600 3.853 -0.363 395 1HB PHE 50 2HB PHE 50 2.090 5.649 -2.733 396 2HB PHE 50 1HB PHE 50 1.414 4.087 -3.065 397 HD1 PHE 50 HD1 PHE 50 -0.790 3.515 -2.173 398 HD2 PHE 50 HD2 PHE 50 0.917 7.346 -1.445 399 HE1 PHE 50 HE1 PHE 50 -3.005 4.373 -1.491 400 HE2 PHE 50 HE2 PHE 50 -1.265 8.199 -0.729 401 HZ PHE 50 HZ PHE 50 -3.243 6.723 -0.769 402 H SER 51 H SER 51 1.603 1.837 -1.456 403 HA SER 51 HA SER 51 4.302 0.750 -1.998 404 1HB SER 51 2HB SER 51 2.468 -1.220 -0.621 405 2HB SER 51 1HB SER 51 4.115 -1.010 -0.575 406 HG SER 51 HG SER 51 2.777 1.169 1.019 407 H LEU 52 H LEU 52 4.146 0.500 -4.044 408 HA LEU 52 HA LEU 52 1.792 -0.477 -5.409 409 1HB LEU 52 2HB LEU 52 3.434 1.359 -6.124 410 2HB LEU 52 1HB LEU 52 4.700 0.199 -6.221 411 HG LEU 52 HG LEU 52 3.642 -0.810 -8.210 412 1HD1 LEU 52 1HD1 LEU 52 1.322 0.742 -7.255 413 2HD1 LEU 52 3HD1 LEU 52 1.590 0.946 -8.950 414 3HD1 LEU 52 2HD1 LEU 52 1.395 -0.681 -8.264 415 1HD2 LEU 52 2HD2 LEU 52 3.816 2.253 -8.359 416 2HD2 LEU 52 1HD2 LEU 52 5.141 1.120 -8.651 417 3HD2 LEU 52 3HD2 LEU 52 3.764 1.206 -9.753 418 H SER 53 H SER 53 1.266 -2.465 -5.411 419 HA SER 53 HA SER 53 3.298 -4.603 -5.438 420 1HB SER 53 1HB SER 53 0.375 -5.288 -5.115 421 2HB SER 53 2HB SER 53 1.719 -6.033 -4.499 422 HG SER 53 HG SER 53 1.366 -3.424 -3.053 423 H VAL 54 H VAL 54 3.644 -5.873 -7.031 424 HA VAL 54 HA VAL 54 1.872 -5.794 -9.446 425 HB VAL 54 HB VAL 54 4.957 -5.577 -9.578 426 1HG1 VAL 54 3HG1 VAL 54 2.940 -5.765 -11.746 427 2HG1 VAL 54 2HG1 VAL 54 4.607 -5.128 -11.949 428 3HG1 VAL 54 1HG1 VAL 54 4.318 -6.755 -11.412 429 1HG2 VAL 54 2HG2 VAL 54 2.939 -3.394 -9.703 430 2HG2 VAL 54 1HG2 VAL 54 4.240 -3.564 -8.562 431 3HG2 VAL 54 3HG2 VAL 54 4.663 -3.285 -10.214 432 H LYS 55 H LYS 55 1.895 -7.945 -10.644 433 HA LYS 55 HA LYS 55 2.966 -9.963 -8.869 434 1HB LYS 55 2HB LYS 55 0.819 -10.036 -10.097 435 2HB LYS 55 1HB LYS 55 1.710 -10.345 -11.587 436 1HG LYS 55 2HG LYS 55 2.789 -12.343 -10.434 437 2HG LYS 55 1HG LYS 55 1.898 -11.957 -8.999 438 1HD LYS 55 2HD LYS 55 1.105 -13.668 -11.093 439 2HD LYS 55 1HD LYS 55 0.239 -13.260 -9.644 440 1HE LYS 55 1HE LYS 55 -0.804 -11.311 -10.871 441 2HE LYS 55 2HE LYS 55 0.079 -11.850 -12.287 442 1HZ LYS 55 2HZ LYS 55 -1.044 -14.014 -12.001 443 2HZ LYS 55 1HZ LYS 55 -1.906 -13.343 -10.704 444 3HZ LYS 55 3HZ LYS 55 -2.136 -12.747 -12.274 445 H ASP 56 H ASP 56 5.420 -10.170 -8.881 446 HA ASP 56 HA ASP 56 6.537 -9.996 -11.607 447 1HB ASP 56 2HB ASP 56 7.810 -8.895 -10.018 448 2HB ASP 56 1HB ASP 56 7.922 -10.238 -8.937 449 H ILE 57 H ILE 57 5.944 -11.521 -12.854 450 HA ILE 57 HA ILE 57 5.848 -14.312 -11.910 451 HB ILE 57 HB ILE 57 4.997 -13.081 -14.534 452 1HG1 ILE 57 1HG1 ILE 57 3.486 -13.943 -12.035 453 2HG1 ILE 57 2HG1 ILE 57 3.562 -12.341 -12.730 454 1HG2 ILE 57 2HG2 ILE 57 5.653 -15.482 -14.853 455 2HG2 ILE 57 1HG2 ILE 57 4.581 -15.945 -13.535 456 3HG2 ILE 57 3HG2 ILE 57 3.936 -15.281 -15.036 457 1HD1 ILE 57 1HD1 ILE 57 2.348 -13.293 -14.787 458 2HD1 ILE 57 3HD1 ILE 57 2.122 -14.771 -13.832 459 3HD1 ILE 57 2HD1 ILE 57 1.412 -13.262 -13.296 460 H THR 58 H THR 58 7.214 -15.798 -12.348 461 HA THR 58 HA THR 58 9.085 -15.728 -14.550 462 HB THR 58 HB THR 58 10.315 -14.352 -13.044 463 HG1 THR 58 HG1 THR 58 11.650 -17.025 -12.882 464 1HG2 THR 58 2HG2 THR 58 9.572 -16.159 -10.679 465 2HG2 THR 58 1HG2 THR 58 10.801 -14.884 -10.606 466 3HG2 THR 58 3HG2 THR 58 9.163 -14.504 -11.011 467 H THR 59 H THR 59 10.528 -17.658 -14.494 468 HA THR 59 HA THR 59 8.830 -19.940 -13.895 469 HB THR 59 HB THR 59 9.888 -20.058 -15.932 470 HG1 THR 59 HG1 THR 59 11.136 -22.205 -14.264 471 1HG2 THR 59 1HG2 THR 59 12.683 -19.510 -14.748 472 2HG2 THR 59 3HG2 THR 59 12.342 -20.016 -16.390 473 3HG2 THR 59 2HG2 THR 59 11.681 -18.536 -15.814 474 H GLN 60 H GLN 60 10.747 -18.194 -11.905 475 HA GLN 60 HA GLN 60 11.699 -20.579 -10.402 476 1HB GLN 60 2HB GLN 60 12.398 -17.705 -9.748 477 2HB GLN 60 1HB GLN 60 13.037 -19.145 -9.062 478 1HG GLN 60 2HG GLN 60 14.738 -18.849 -10.578 479 2HG GLN 60 1HG GLN 60 13.666 -19.760 -11.625 480 1HE2 GLN 60 2HE2 GLN 60 13.995 -15.658 -12.038 481 2HE2 GLN 60 1HE2 GLN 60 14.145 -16.393 -10.484 482 H GLY 61 H GLY 61 9.201 -18.159 -10.393 483 1HA GLY 61 2HA GLY 61 7.649 -19.381 -8.505 484 2HA GLY 61 1HA GLY 61 8.714 -18.278 -7.542 485 H GLU 62 H GLU 62 5.691 -18.481 -8.545 486 HA GLU 62 HA GLU 62 5.265 -15.957 -9.833 487 1HB GLU 62 2HB GLU 62 3.932 -18.323 -9.607 488 2HB GLU 62 1HB GLU 62 3.186 -17.543 -8.225 489 1HG GLU 62 2HG GLU 62 3.208 -16.226 -10.967 490 2HG GLU 62 1HG GLU 62 2.049 -17.467 -10.561 491 H VAL 63 H VAL 63 5.721 -14.017 -8.670 492 HA VAL 63 HA VAL 63 4.940 -13.974 -5.799 493 HB VAL 63 HB VAL 63 6.881 -12.618 -5.340 494 1HG1 VAL 63 3HG1 VAL 63 7.196 -15.050 -5.182 495 2HG1 VAL 63 2HG1 VAL 63 7.863 -15.076 -6.813 496 3HG1 VAL 63 1HG1 VAL 63 8.691 -14.191 -5.541 497 1HG2 VAL 63 1HG2 VAL 63 6.998 -11.562 -7.757 498 2HG2 VAL 63 3HG2 VAL 63 8.496 -11.830 -6.896 499 3HG2 VAL 63 2HG2 VAL 63 8.001 -12.944 -8.157 500 H VAL 64 H VAL 64 5.385 -11.482 -5.286 501 HA VAL 64 HA VAL 64 4.108 -9.813 -7.300 502 HB VAL 64 HB VAL 64 3.198 -10.220 -4.485 503 1HG1 VAL 64 2HG1 VAL 64 2.691 -7.699 -6.122 504 2HG1 VAL 64 1HG1 VAL 64 1.682 -8.223 -4.811 505 3HG1 VAL 64 3HG1 VAL 64 3.349 -7.737 -4.459 506 1HG2 VAL 64 3HG2 VAL 64 2.054 -11.261 -6.533 507 2HG2 VAL 64 2HG2 VAL 64 1.025 -10.216 -5.514 508 3HG2 VAL 64 1HG2 VAL 64 1.675 -9.598 -7.012 509 H LYS 65 H LYS 65 4.573 -7.472 -6.143 510 HA LYS 65 HA LYS 65 7.429 -7.227 -5.325 511 1HB LYS 65 2HB LYS 65 5.987 -5.905 -7.696 512 2HB LYS 65 1HB LYS 65 7.436 -5.192 -7.069 513 1HG LYS 65 2HG LYS 65 7.353 -8.083 -8.027 514 2HG LYS 65 1HG LYS 65 7.667 -6.786 -9.082 515 1HD LYS 65 2HD LYS 65 9.532 -6.077 -7.301 516 2HD LYS 65 1HD LYS 65 9.362 -7.693 -6.726 517 1HE LYS 65 1HE LYS 65 9.737 -7.495 -9.695 518 2HE LYS 65 2HE LYS 65 11.089 -6.929 -8.736 519 1HZ LYS 65 2HZ LYS 65 9.803 -9.556 -8.432 520 2HZ LYS 65 1HZ LYS 65 11.181 -9.241 -9.352 521 3HZ LYS 65 3HZ LYS 65 11.221 -9.018 -7.663 522 H HIS 66 H HIS 66 7.884 -4.764 -4.800 523 HA HIS 66 HA HIS 66 5.576 -3.263 -3.801 524 1HB HIS 66 2HB HIS 66 7.913 -4.336 -2.074 525 2HB HIS 66 1HB HIS 66 6.915 -2.996 -1.560 526 HD1 HIS 66 HD1 HIS 66 4.267 -4.422 -2.769 527 HD2 HIS 66 HD2 HIS 66 7.003 -5.992 -0.032 528 HE1 HIS 66 HE1 HIS 66 3.012 -6.172 -1.390 529 H TYR 67 H TYR 67 5.916 -1.146 -4.262 530 HA TYR 67 HA TYR 67 8.725 -0.118 -4.279 531 1HB TYR 67 2HB TYR 67 6.603 0.941 -6.224 532 2HB TYR 67 1HB TYR 67 8.267 1.387 -6.101 533 HD1 TYR 67 HD1 TYR 67 10.057 -0.148 -6.772 534 HD2 TYR 67 HD2 TYR 67 5.952 -1.062 -7.441 535 HE1 TYR 67 HE1 TYR 67 10.722 -1.716 -8.490 536 HE2 TYR 67 HE2 TYR 67 6.485 -2.578 -9.162 537 HH TYR 67 HH TYR 67 9.091 -4.067 -9.849 538 H LYS 68 H LYS 68 9.022 1.505 -2.998 539 HA LYS 68 HA LYS 68 6.731 2.503 -1.491 540 1HB LYS 68 2HB LYS 68 8.689 3.592 -0.071 541 2HB LYS 68 1HB LYS 68 8.188 1.950 0.069 542 1HG LYS 68 2HG LYS 68 10.615 2.013 -0.021 543 2HG LYS 68 1HG LYS 68 9.928 1.144 -1.357 544 1HD LYS 68 2HD LYS 68 11.564 2.342 -2.442 545 2HD LYS 68 1HD LYS 68 10.198 3.379 -2.714 546 1HE LYS 68 1HE LYS 68 12.345 3.753 -0.547 547 2HE LYS 68 2HE LYS 68 12.237 4.665 -2.042 548 1HZ LYS 68 3HZ LYS 68 10.124 5.518 -1.319 549 2HZ LYS 68 2HZ LYS 68 10.281 4.675 0.140 550 3HZ LYS 68 1HZ LYS 68 11.399 5.898 -0.246 551 H ILE 69 H ILE 69 5.943 3.635 -3.228 552 HA ILE 69 HA ILE 69 7.149 6.058 -4.253 553 HB ILE 69 HB ILE 69 4.545 6.822 -4.330 554 1HG1 ILE 69 1HG1 ILE 69 3.892 4.697 -3.205 555 2HG1 ILE 69 2HG1 ILE 69 2.945 5.356 -4.499 556 1HG2 ILE 69 3HG2 ILE 69 5.901 6.904 -6.257 557 2HG2 ILE 69 2HG2 ILE 69 5.466 5.205 -6.608 558 3HG2 ILE 69 1HG2 ILE 69 4.219 6.438 -6.446 559 1HD1 ILE 69 2HD1 ILE 69 4.801 3.016 -4.945 560 2HD1 ILE 69 1HD1 ILE 69 3.045 2.969 -4.676 561 3HD1 ILE 69 3HD1 ILE 69 3.687 3.752 -6.110 562 H ARG 70 H ARG 70 7.640 7.859 -3.322 563 HA ARG 70 HA ARG 70 6.550 8.528 -0.645 564 1HB ARG 70 2HB ARG 70 8.647 9.764 -2.494 565 2HB ARG 70 1HB ARG 70 8.056 10.550 -1.054 566 1HG ARG 70 2HG ARG 70 8.627 8.066 -0.006 567 2HG ARG 70 1HG ARG 70 9.848 8.180 -1.267 568 1HD ARG 70 2HD ARG 70 10.224 10.630 -0.345 569 2HD ARG 70 1HD ARG 70 9.301 10.049 1.037 570 HE ARG 70 HE ARG 70 11.046 8.138 1.093 571 1HH1 ARG 70 1HH2 ARG 70 11.772 11.472 0.171 572 2HH1 ARG 70 2HH2 ARG 70 13.413 11.394 0.717 573 1HH2 ARG 70 2HH1 ARG 70 13.208 8.080 1.793 574 2HH2 ARG 70 1HH1 ARG 70 14.223 9.473 1.635 575 H SER 71 H SER 71 5.601 10.591 -0.358 576 HA SER 71 HA SER 71 4.191 11.616 -2.770 577 1HB SER 71 2HB SER 71 2.503 12.462 -0.964 578 2HB SER 71 1HB SER 71 2.412 10.827 -1.338 579 HG SER 71 HG SER 71 4.159 10.872 1.005 580 H LEU 72 H LEU 72 5.082 13.597 -3.386 581 HA LEU 72 HA LEU 72 6.406 15.176 -1.311 582 1HB LEU 72 2HB LEU 72 6.660 15.497 -4.316 583 2HB LEU 72 1HB LEU 72 7.781 15.979 -3.086 584 HG LEU 72 HG LEU 72 8.739 14.220 -4.051 585 1HD1 LEU 72 2HD1 LEU 72 8.532 14.236 -1.493 586 2HD1 LEU 72 1HD1 LEU 72 7.550 12.794 -1.653 587 3HD1 LEU 72 3HD1 LEU 72 9.196 12.779 -2.219 588 1HD2 LEU 72 3HD2 LEU 72 6.303 13.410 -4.968 589 2HD2 LEU 72 2HD2 LEU 72 7.731 12.454 -5.156 590 3HD2 LEU 72 1HD2 LEU 72 6.634 12.118 -3.819 591 H ASP 73 H ASP 73 6.038 17.191 -1.080 592 HA ASP 73 HA ASP 73 3.372 18.156 -1.478 593 1HB ASP 73 2HB ASP 73 4.278 20.348 -0.572 594 2HB ASP 73 1HB ASP 73 4.589 18.968 0.469 595 H ASN 74 H ASN 74 6.363 18.599 -3.207 596 HA ASN 74 HA ASN 74 4.897 20.313 -5.162 597 1HB ASN 74 2HB ASN 74 6.922 21.613 -5.537 598 2HB ASN 74 1HB ASN 74 6.560 21.595 -3.827 599 1HD2 ASN 74 2HD2 ASN 74 10.057 20.170 -5.319 600 2HD2 ASN 74 1HD2 ASN 74 8.784 20.816 -6.300 601 H GLY 75 H GLY 75 5.997 17.343 -4.785 602 1HA GLY 75 2HA GLY 75 6.593 17.050 -7.705 603 2HA GLY 75 1HA GLY 75 7.689 16.330 -6.481 604 H GLY 76 H GLY 76 4.289 16.311 -5.880 605 1HA GLY 76 2HA GLY 76 2.669 14.737 -5.831 606 2HA GLY 76 1HA GLY 76 3.336 14.211 -7.392 607 H TYR 77 H TYR 77 4.881 12.599 -7.570 608 HA TYR 77 HA TYR 77 5.382 10.985 -5.221 609 1HB TYR 77 2HB TYR 77 3.807 9.664 -7.531 610 2HB TYR 77 1HB TYR 77 4.547 8.822 -6.200 611 HD1 TYR 77 HD2 TYR 77 1.981 11.225 -7.076 612 HD2 TYR 77 HD1 TYR 77 3.523 8.709 -4.062 613 HE1 TYR 77 HE2 TYR 77 -0.096 11.542 -5.907 614 HE2 TYR 77 HE1 TYR 77 1.554 8.994 -2.720 615 HH TYR 77 HH TYR 77 -1.316 9.616 -3.736 616 H TYR 78 H TYR 78 7.077 9.930 -5.276 617 HA TYR 78 HA TYR 78 8.394 9.438 -7.908 618 1HB TYR 78 2HB TYR 78 10.335 10.540 -7.553 619 2HB TYR 78 1HB TYR 78 9.253 11.621 -6.737 620 HD1 TYR 78 HD2 TYR 78 11.861 9.095 -6.396 621 HD2 TYR 78 HD1 TYR 78 9.554 12.000 -4.268 622 HE1 TYR 78 HE2 TYR 78 13.329 8.816 -4.602 623 HE2 TYR 78 HE1 TYR 78 11.051 11.808 -2.392 624 HH TYR 78 HH TYR 78 12.945 9.402 -1.604 625 H ILE 79 H ILE 79 9.482 7.716 -8.170 626 HA ILE 79 HA ILE 79 9.888 5.806 -5.916 627 HB ILE 79 HB ILE 79 9.577 4.027 -7.901 628 1HG1 ILE 79 1HG1 ILE 79 7.640 6.274 -8.519 629 2HG1 ILE 79 2HG1 ILE 79 8.841 5.572 -9.569 630 1HG2 ILE 79 3HG2 ILE 79 8.763 3.712 -5.693 631 2HG2 ILE 79 2HG2 ILE 79 7.446 4.839 -5.968 632 3HG2 ILE 79 1HG2 ILE 79 7.538 3.320 -6.874 633 1HD1 ILE 79 2HD1 ILE 79 7.442 3.391 -9.435 634 2HD1 ILE 79 1HD1 ILE 79 6.297 4.253 -8.434 635 3HD1 ILE 79 3HD1 ILE 79 6.523 4.786 -10.069 636 H SER 80 H SER 80 11.277 7.594 -8.213 637 HA SER 80 HA SER 80 13.874 6.619 -7.598 638 1HB SER 80 2HB SER 80 13.332 5.128 -9.446 639 2HB SER 80 1HB SER 80 12.517 6.264 -10.330 640 HG SER 80 HG SER 80 15.334 7.082 -10.461 641 HA PRO 81 HA PRO 81 13.377 10.961 -7.260 642 1HB PRO 81 2HB PRO 81 16.274 11.465 -7.311 643 2HB PRO 81 1HB PRO 81 15.050 11.722 -6.035 644 1HG PRO 81 2HG PRO 81 16.912 9.696 -5.900 645 2HG PRO 81 1HG PRO 81 15.301 9.588 -5.182 646 1HD PRO 81 1HD PRO 81 16.284 8.430 -7.727 647 2HD PRO 81 2HD PRO 81 15.183 7.711 -6.525 648 H ARG 82 H ARG 82 15.365 9.954 -9.965 649 HA ARG 82 HA ARG 82 15.020 12.636 -11.165 650 1HB ARG 82 2HB ARG 82 16.129 11.895 -13.178 651 2HB ARG 82 1HB ARG 82 17.092 11.716 -11.751 652 1HG ARG 82 2HG ARG 82 15.514 9.328 -12.709 653 2HG ARG 82 1HG ARG 82 16.874 9.810 -13.641 654 1HD ARG 82 2HD ARG 82 18.496 9.403 -11.955 655 2HD ARG 82 1HD ARG 82 17.357 9.593 -10.654 656 HE ARG 82 HE ARG 82 16.999 7.326 -10.748 657 1HH1 ARG 82 1HH2 ARG 82 18.205 8.371 -13.895 658 2HH1 ARG 82 2HH2 ARG 82 18.260 6.766 -14.538 659 1HH2 ARG 82 2HH1 ARG 82 17.075 5.233 -11.638 660 2HH2 ARG 82 1HH1 ARG 82 17.637 4.998 -13.256 661 H ILE 83 H ILE 83 12.993 10.011 -10.827 662 HA ILE 83 HA ILE 83 11.232 11.010 -12.967 663 HB ILE 83 HB ILE 83 10.257 8.810 -13.191 664 1HG1 ILE 83 1HG1 ILE 83 12.831 7.507 -12.491 665 2HG1 ILE 83 2HG1 ILE 83 11.865 8.037 -11.124 666 1HG2 ILE 83 3HG2 ILE 83 11.652 9.792 -14.954 667 2HG2 ILE 83 2HG2 ILE 83 13.091 9.037 -14.214 668 3HG2 ILE 83 1HG2 ILE 83 11.784 8.035 -14.865 669 1HD1 ILE 83 1HD1 ILE 83 10.689 6.473 -13.446 670 2HD1 ILE 83 3HD1 ILE 83 11.322 5.710 -11.964 671 3HD1 ILE 83 2HD1 ILE 83 9.953 6.878 -11.887 672 H THR 84 H THR 84 10.368 12.268 -11.838 673 HA THR 84 HA THR 84 8.663 11.554 -9.524 674 HB THR 84 HB THR 84 9.187 14.346 -10.578 675 HG1 THR 84 HG1 THR 84 11.573 12.950 -9.421 676 1HG2 THR 84 1HG2 THR 84 8.800 13.344 -7.742 677 2HG2 THR 84 3HG2 THR 84 9.270 14.993 -8.155 678 3HG2 THR 84 2HG2 THR 84 7.813 14.315 -8.826 679 H PHE 85 H PHE 85 6.681 12.595 -9.532 680 HA PHE 85 HA PHE 85 5.411 13.165 -12.183 681 1HB PHE 85 2HB PHE 85 4.460 10.879 -10.334 682 2HB PHE 85 1HB PHE 85 3.615 11.378 -11.772 683 HD1 PHE 85 HD2 PHE 85 4.542 10.911 -14.018 684 HD2 PHE 85 HD1 PHE 85 6.549 9.600 -10.474 685 HE1 PHE 85 HE2 PHE 85 6.056 9.504 -15.373 686 HE2 PHE 85 HE1 PHE 85 8.047 8.201 -11.823 687 HZ PHE 85 HZ PHE 85 7.862 8.187 -14.274 688 HA PRO 86 HA PRO 86 3.082 15.970 -9.613 689 1HB PRO 86 2HB PRO 86 0.755 16.344 -11.086 690 2HB PRO 86 1HB PRO 86 2.329 16.917 -11.627 691 1HG PRO 86 2HG PRO 86 0.931 14.385 -12.477 692 2HG PRO 86 1HG PRO 86 1.739 15.568 -13.515 693 1HD PRO 86 1HD PRO 86 2.984 13.259 -12.756 694 2HD PRO 86 2HD PRO 86 3.890 14.762 -12.958 695 H THR 87 H THR 87 1.783 12.892 -10.445 696 HA THR 87 HA THR 87 0.618 12.506 -7.876 697 HB THR 87 HB THR 87 -1.312 13.562 -8.770 698 HG1 THR 87 HG1 THR 87 -1.963 10.662 -8.568 699 1HG2 THR 87 1HG2 THR 87 -1.042 11.950 -11.314 700 2HG2 THR 87 3HG2 THR 87 -2.468 12.923 -10.858 701 3HG2 THR 87 2HG2 THR 87 -0.890 13.660 -11.004 702 H LEU 88 H LEU 88 -0.418 10.173 -7.915 703 HA LEU 88 HA LEU 88 1.465 8.473 -9.201 704 1HB LEU 88 2HB LEU 88 -1.276 7.599 -8.189 705 2HB LEU 88 1HB LEU 88 -0.004 6.545 -8.633 706 HG LEU 88 HG LEU 88 0.226 8.559 -6.419 707 1HD1 LEU 88 3HD1 LEU 88 -1.662 6.966 -6.057 708 2HD1 LEU 88 2HD1 LEU 88 -0.533 5.665 -6.407 709 3HD1 LEU 88 1HD1 LEU 88 -0.323 6.592 -4.928 710 1HD2 LEU 88 2HD2 LEU 88 1.763 5.990 -7.037 711 2HD2 LEU 88 1HD2 LEU 88 2.414 7.641 -7.154 712 3HD2 LEU 88 3HD2 LEU 88 1.974 6.956 -5.590 713 H GLN 89 H GLN 89 -1.655 9.898 -10.395 714 HA GLN 89 HA GLN 89 -2.058 7.550 -12.106 715 1HB GLN 89 2HB GLN 89 -3.675 8.608 -13.473 716 2HB GLN 89 1HB GLN 89 -4.007 8.458 -11.791 717 1HG GLN 89 2HG GLN 89 -4.861 10.529 -12.483 718 2HG GLN 89 1HG GLN 89 -3.517 10.732 -11.393 719 1HE2 GLN 89 2HE2 GLN 89 -2.299 11.348 -15.292 720 2HE2 GLN 89 1HE2 GLN 89 -2.765 9.810 -14.680 721 H ALA 90 H ALA 90 -0.291 10.492 -12.616 722 HA ALA 90 HA ALA 90 0.197 9.941 -15.396 723 1HB ALA 90 1HB ALA 90 0.721 12.212 -14.331 724 2HB ALA 90 3HB ALA 90 2.015 11.464 -13.419 725 3HB ALA 90 2HB ALA 90 2.137 11.600 -15.174 726 H LEU 91 H LEU 91 1.401 8.588 -12.544 727 HA LEU 91 HA LEU 91 3.780 7.353 -13.668 728 1HB LEU 91 2HB LEU 91 4.150 8.015 -11.526 729 2HB LEU 91 1HB LEU 91 2.535 7.942 -11.021 730 HG LEU 91 HG LEU 91 4.364 5.504 -11.237 731 1HD1 LEU 91 3HD1 LEU 91 3.542 7.232 -8.853 732 2HD1 LEU 91 2HD1 LEU 91 4.454 5.746 -8.719 733 3HD1 LEU 91 1HD1 LEU 91 5.174 7.149 -9.527 734 1HD2 LEU 91 1HD2 LEU 91 1.619 5.940 -9.927 735 2HD2 LEU 91 3HD2 LEU 91 1.994 4.780 -11.213 736 3HD2 LEU 91 2HD2 LEU 91 2.637 4.518 -9.622 737 H VAL 92 H VAL 92 0.351 6.561 -12.823 738 HA VAL 92 HA VAL 92 0.730 3.808 -13.473 739 HB VAL 92 HB VAL 92 -1.980 5.126 -13.104 740 1HG1 VAL 92 1HG1 VAL 92 -1.770 2.609 -13.347 741 2HG1 VAL 92 3HG1 VAL 92 -0.854 2.654 -11.780 742 3HG1 VAL 92 2HG1 VAL 92 -2.513 3.186 -11.836 743 1HG2 VAL 92 2HG2 VAL 92 0.060 5.299 -11.010 744 2HG2 VAL 92 3HG2 VAL 92 -1.547 5.975 -11.034 745 3HG2 VAL 92 1HG2 VAL 92 -1.240 4.379 -10.452 746 H GLN 93 H GLN 93 0.495 6.531 -15.319 747 HA GLN 93 HA GLN 93 -1.316 5.501 -17.409 748 1HB GLN 93 2HB GLN 93 -1.622 7.613 -18.216 749 2HB GLN 93 1HB GLN 93 -1.346 7.994 -16.546 750 1HG GLN 93 2HG GLN 93 1.030 8.610 -17.105 751 2HG GLN 93 1HG GLN 93 0.693 8.293 -18.796 752 1HE2 GLN 93 2HE2 GLN 93 0.217 11.700 -18.985 753 2HE2 GLN 93 1HE2 GLN 93 1.271 10.365 -19.288 754 H HIS 94 H HIS 94 1.808 6.898 -16.826 755 HA HIS 94 HA HIS 94 3.133 6.434 -19.243 756 1HB HIS 94 2HB HIS 94 3.854 8.086 -17.536 757 2HB HIS 94 1HB HIS 94 4.071 6.828 -16.339 758 HD1 HIS 94 HD1 HIS 94 6.541 7.133 -15.963 759 HD2 HIS 94 HD2 HIS 94 5.599 6.599 -20.018 760 HE1 HIS 94 HE1 HIS 94 8.726 6.888 -17.186 761 H TYR 95 H TYR 95 2.823 4.596 -16.244 762 HA TYR 95 HA TYR 95 4.665 2.530 -17.084 763 1HB TYR 95 2HB TYR 95 2.677 2.630 -14.777 764 2HB TYR 95 1HB TYR 95 3.744 1.285 -15.086 765 HD1 TYR 95 HD1 TYR 95 5.625 4.181 -16.077 766 HD2 TYR 95 HD2 TYR 95 4.170 2.084 -12.624 767 HE1 TYR 95 HE1 TYR 95 7.325 5.152 -14.863 768 HE2 TYR 95 HE2 TYR 95 5.891 3.042 -11.303 769 HH TYR 95 HH TYR 95 8.705 3.931 -12.409 770 H SER 96 H SER 96 1.169 2.965 -17.417 771 HA SER 96 HA SER 96 0.689 0.229 -18.057 772 1HB SER 96 2HB SER 96 -0.629 2.559 -19.631 773 2HB SER 96 1HB SER 96 -1.246 1.001 -19.421 774 HG SER 96 HG SER 96 -1.212 2.399 -16.767 775 H LYS 97 H LYS 97 2.151 2.712 -20.026 776 HA LYS 97 HA LYS 97 2.401 0.720 -22.233 777 1HB LYS 97 2HB LYS 97 2.779 3.765 -22.077 778 2HB LYS 97 1HB LYS 97 3.282 2.863 -23.471 779 1HG LYS 97 2HG LYS 97 1.122 3.835 -23.892 780 2HG LYS 97 1HG LYS 97 0.973 2.098 -23.896 781 1HD LYS 97 2HD LYS 97 -0.114 2.092 -21.738 782 2HD LYS 97 1HD LYS 97 0.322 3.764 -21.426 783 1HE LYS 97 1HE LYS 97 -2.029 3.698 -21.998 784 2HE LYS 97 2HE LYS 97 -1.199 4.431 -23.369 785 1HZ LYS 97 3HZ LYS 97 -1.224 2.299 -24.449 786 2HZ LYS 97 2HZ LYS 97 -2.045 1.614 -23.135 787 3HZ LYS 97 1HZ LYS 97 -2.790 2.829 -24.061 788 H LYS 98 H LYS 98 4.471 2.415 -19.842 789 HA LYS 98 HA LYS 98 6.687 0.731 -20.643 790 1HB LYS 98 2HB LYS 98 6.398 2.996 -22.046 791 2HB LYS 98 1HB LYS 98 7.055 3.784 -20.646 792 1HG LYS 98 2HG LYS 98 8.367 1.351 -21.840 793 2HG LYS 98 1HG LYS 98 8.592 2.917 -22.589 794 1HD LYS 98 2HD LYS 98 9.604 3.814 -20.547 795 2HD LYS 98 1HD LYS 98 9.204 2.352 -19.676 796 1HE LYS 98 1HE LYS 98 10.676 0.999 -21.100 797 2HE LYS 98 2HE LYS 98 11.067 2.399 -22.095 798 1HZ LYS 98 1HZ LYS 98 11.989 3.446 -20.109 799 2HZ LYS 98 3HZ LYS 98 11.761 1.995 -19.271 800 3HZ LYS 98 2HZ LYS 98 12.812 2.041 -20.602 801 H GLY 99 H GLY 99 6.917 -0.111 -18.672 802 1HA GLY 99 2HA GLY 99 6.322 0.865 -16.177 803 2HA GLY 99 1HA GLY 99 7.629 -0.318 -16.519 804 H ASP 100 H ASP 100 9.166 1.417 -18.032 805 HA ASP 100 HA ASP 100 11.094 2.554 -17.798 806 1HB ASP 100 2HB ASP 100 9.150 4.209 -18.241 807 2HB ASP 100 1HB ASP 100 9.333 4.734 -16.580 808 H GLY 101 H GLY 101 11.091 0.882 -15.873 809 1HA GLY 101 2HA GLY 101 13.156 1.488 -14.219 810 2HA GLY 101 1HA GLY 101 11.787 2.272 -13.326 811 H LEU 102 H LEU 102 9.763 0.488 -13.876 812 HA LEU 102 HA LEU 102 10.235 -1.386 -11.823 813 1HB LEU 102 2HB LEU 102 7.941 -1.347 -13.854 814 2HB LEU 102 1HB LEU 102 7.925 -2.076 -12.281 815 HG LEU 102 HG LEU 102 7.781 0.830 -13.040 816 1HD1 LEU 102 2HD1 LEU 102 6.145 -1.005 -11.265 817 2HD1 LEU 102 1HD1 LEU 102 5.844 0.714 -11.406 818 3HD1 LEU 102 3HD1 LEU 102 5.685 -0.313 -12.830 819 1HD2 LEU 102 2HD2 LEU 102 8.560 -0.193 -10.280 820 2HD2 LEU 102 1HD2 LEU 102 9.477 0.940 -11.221 821 3HD2 LEU 102 3HD2 LEU 102 7.916 1.390 -10.513 822 H CYS 103 H CYS 103 9.747 -3.475 -12.022 823 HA CYS 103 HA CYS 103 11.549 -4.939 -13.700 824 1HB CYS 103 2HB CYS 103 10.437 -7.017 -12.621 825 2HB CYS 103 1HB CYS 103 11.195 -5.875 -11.574 826 HG CYS 103 HG CYS 103 7.777 -6.033 -12.154 827 H GLN 104 H GLN 104 8.038 -4.272 -14.015 828 HA GLN 104 HA GLN 104 8.090 -5.329 -16.737 829 1HB GLN 104 2HB GLN 104 5.788 -5.817 -14.777 830 2HB GLN 104 1HB GLN 104 5.869 -6.255 -16.451 831 1HG GLN 104 2HG GLN 104 6.365 -8.312 -15.540 832 2HG GLN 104 1HG GLN 104 7.986 -7.710 -15.769 833 1HE2 GLN 104 2HE2 GLN 104 6.299 -7.811 -11.998 834 2HE2 GLN 104 1HE2 GLN 104 5.318 -7.462 -13.381 835 H LYS 105 H LYS 105 5.343 -4.553 -16.377 836 HA LYS 105 HA LYS 105 5.213 -1.647 -16.255 837 1HB LYS 105 2HB LYS 105 4.843 -1.276 -18.614 838 2HB LYS 105 1HB LYS 105 6.145 -2.448 -18.551 839 1HG LYS 105 2HG LYS 105 4.271 -4.273 -18.789 840 2HG LYS 105 1HG LYS 105 3.223 -2.938 -19.255 841 1HD LYS 105 2HD LYS 105 5.848 -3.620 -20.654 842 2HD LYS 105 1HD LYS 105 4.268 -4.159 -21.185 843 1HE LYS 105 1HE LYS 105 3.479 -1.814 -21.320 844 2HE LYS 105 2HE LYS 105 5.102 -1.246 -20.863 845 1HZ LYS 105 2HZ LYS 105 5.967 -2.315 -22.838 846 2HZ LYS 105 1HZ LYS 105 4.395 -2.750 -23.302 847 3HZ LYS 105 3HZ LYS 105 4.828 -1.107 -23.171 848 H LEU 106 H LEU 106 2.749 -1.005 -16.819 849 HA LEU 106 HA LEU 106 1.233 -3.030 -15.361 850 1HB LEU 106 2HB LEU 106 -0.289 -0.650 -16.410 851 2HB LEU 106 1HB LEU 106 -0.482 -1.550 -14.967 852 HG LEU 106 HG LEU 106 1.393 0.726 -15.515 853 1HD1 LEU 106 1HD1 LEU 106 -0.986 0.604 -14.132 854 2HD1 LEU 106 3HD1 LEU 106 0.097 0.172 -12.851 855 3HD1 LEU 106 2HD1 LEU 106 0.345 1.694 -13.673 856 1HD2 LEU 106 3HD2 LEU 106 1.749 -1.467 -13.550 857 2HD2 LEU 106 2HD2 LEU 106 3.060 -0.896 -14.529 858 3HD2 LEU 106 1HD2 LEU 106 2.483 0.132 -13.261 859 H THR 107 H THR 107 -0.994 -3.587 -15.956 860 HA THR 107 HA THR 107 -1.551 -3.564 -18.835 861 HB THR 107 HB THR 107 -1.742 -5.816 -19.215 862 HG1 THR 107 HG1 THR 107 -1.734 -6.605 -16.381 863 1HG2 THR 107 2HG2 THR 107 0.460 -4.988 -19.511 864 2HG2 THR 107 1HG2 THR 107 0.959 -5.281 -17.891 865 3HG2 THR 107 3HG2 THR 107 0.632 -6.636 -18.933 866 H LEU 108 H LEU 108 -2.702 -5.465 -16.097 867 HA LEU 108 HA LEU 108 -5.326 -3.999 -16.398 868 1HB LEU 108 2HB LEU 108 -5.082 -6.921 -15.966 869 2HB LEU 108 1HB LEU 108 -6.564 -6.093 -16.219 870 HG LEU 108 HG LEU 108 -4.393 -6.227 -18.343 871 1HD1 LEU 108 3HD1 LEU 108 -5.064 -8.494 -17.807 872 2HD1 LEU 108 2HD1 LEU 108 -6.764 -8.077 -18.042 873 3HD1 LEU 108 1HD1 LEU 108 -5.639 -8.030 -19.405 874 1HD2 LEU 108 1HD2 LEU 108 -6.087 -4.367 -18.549 875 2HD2 LEU 108 3HD2 LEU 108 -6.175 -5.523 -19.875 876 3HD2 LEU 108 2HD2 LEU 108 -7.368 -5.573 -18.575 877 HA PRO 109 HA PRO 109 -4.193 -4.123 -11.912 878 1HB PRO 109 2HB PRO 109 -5.499 -1.832 -11.149 879 2HB PRO 109 1HB PRO 109 -3.984 -1.811 -12.033 880 1HG PRO 109 2HG PRO 109 -6.734 -1.444 -13.176 881 2HG PRO 109 1HG PRO 109 -5.274 -0.525 -13.572 882 1HD PRO 109 1HD PRO 109 -6.244 -2.697 -15.120 883 2HD PRO 109 2HD PRO 109 -4.531 -2.243 -15.115 884 H CYS 110 H CYS 110 -5.257 -5.942 -11.928 885 HA CYS 110 HA CYS 110 -6.608 -7.553 -11.300 886 1HB CYS 110 2HB CYS 110 -6.180 -6.360 -9.126 887 2HB CYS 110 1HB CYS 110 -7.717 -5.548 -9.292 888 HG CYS 110 HG CYS 110 -7.841 -7.772 -7.417 889 H VAL 111 H VAL 111 -8.733 -8.523 -11.207 890 HA VAL 111 HA VAL 111 -10.559 -7.170 -13.107 891 HB VAL 111 HB VAL 111 -11.818 -9.274 -13.113 892 1HG1 VAL 111 1HG1 VAL 111 -9.982 -8.856 -14.737 893 2HG1 VAL 111 3HG1 VAL 111 -8.858 -9.697 -13.678 894 3HG1 VAL 111 2HG1 VAL 111 -10.202 -10.568 -14.397 895 1HG2 VAL 111 2HG2 VAL 111 -11.325 -10.126 -10.821 896 2HG2 VAL 111 1HG2 VAL 111 -10.871 -11.317 -12.034 897 3HG2 VAL 111 3HG2 VAL 111 -9.633 -10.342 -11.256 898 H ASN 112 H ASN 112 -10.004 -7.062 -9.861 899 HA ASN 112 HA ASN 112 -11.001 -6.093 -8.172 900 1HB ASN 112 2HB ASN 112 -13.581 -5.676 -9.782 901 2HB ASN 112 1HB ASN 112 -13.058 -4.775 -8.388 902 1HD2 ASN 112 2HD2 ASN 112 -10.284 -3.408 -10.701 903 2HD2 ASN 112 1HD2 ASN 112 -10.176 -4.631 -9.509 904 H LEU 113 H LEU 113 -13.327 -6.222 -6.935 905 HA LEU 113 HA LEU 113 -14.186 -9.050 -6.946 906 1HB LEU 113 2HB LEU 113 -13.110 -7.563 -4.469 907 2HB LEU 113 1HB LEU 113 -14.084 -8.996 -4.393 908 HG LEU 113 HG LEU 113 -12.219 -9.990 -6.042 909 1HD1 LEU 113 3HD1 LEU 113 -10.671 -7.879 -4.461 910 2HD1 LEU 113 2HD1 LEU 113 -9.943 -9.212 -5.351 911 3HD1 LEU 113 1HD1 LEU 113 -10.800 -7.959 -6.213 912 1HD2 LEU 113 3HD2 LEU 113 -12.858 -10.935 -3.842 913 2HD2 LEU 113 2HD2 LEU 113 -11.113 -10.956 -4.045 914 3HD2 LEU 113 1HD2 LEU 113 -11.863 -9.736 -3.019 915 H ALA 114 HN ALA 114 -14.652 -6.167 -4.939 916 HA ALA 114 HA ALA 114 -16.433 -4.885 -4.480 917 1HB ALA 114 3HB ALA 114 -17.044 -5.045 -6.950 918 2HB ALA 114 2HB ALA 114 -18.122 -6.379 -6.562 919 3HB ALA 114 1HB ALA 114 -18.422 -4.788 -5.887 No H/Q in entry = 919 Start of MODEL 20 1 1H GLY 1 3H GLY 1 -18.705 4.497 -24.923 2 2H GLY 1 2H GLY 1 -17.129 4.314 -24.333 3 3H GLY 1 1H GLY 1 -18.298 3.120 -24.008 4 1HA GLY 1 2HA GLY 1 -19.568 4.668 -22.727 5 2HA GLY 1 1HA GLY 1 -17.882 4.495 -22.102 6 H SER 2 H SER 2 -18.747 6.568 -21.089 7 HA SER 2 HA SER 2 -17.430 8.724 -22.476 8 1HB SER 2 2HB SER 2 -19.574 8.931 -23.613 9 2HB SER 2 1HB SER 2 -20.489 8.585 -22.245 10 HG SER 2 HG SER 2 -19.313 11.241 -21.732 11 H VAL 3 H VAL 3 -19.952 9.730 -20.336 12 HA VAL 3 HA VAL 3 -18.043 10.594 -18.395 13 HB VAL 3 HB VAL 3 -20.021 11.909 -18.668 14 1HG1 VAL 3 2HG1 VAL 3 -21.628 10.149 -19.464 15 2HG1 VAL 3 1HG1 VAL 3 -21.785 9.581 -17.804 16 3HG1 VAL 3 3HG1 VAL 3 -22.299 11.201 -18.238 17 1HG2 VAL 3 3HG2 VAL 3 -19.100 11.831 -16.360 18 2HG2 VAL 3 2HG2 VAL 3 -20.820 12.199 -16.398 19 3HG2 VAL 3 1HG2 VAL 3 -20.280 10.592 -15.935 20 H ALA 4 H ALA 4 -20.403 7.996 -18.516 21 HA ALA 4 HA ALA 4 -20.511 5.974 -17.597 22 1HB ALA 4 2HB ALA 4 -17.986 5.872 -17.701 23 2HB ALA 4 1HB ALA 4 -17.897 6.506 -16.062 24 3HB ALA 4 3HB ALA 4 -18.622 4.944 -16.355 25 HA PRO 5 HA PRO 5 -22.790 6.892 -13.928 26 1HB PRO 5 2HB PRO 5 -23.000 4.401 -12.669 27 2HB PRO 5 1HB PRO 5 -23.897 4.880 -14.100 28 1HG PRO 5 2HG PRO 5 -21.392 3.233 -13.995 29 2HG PRO 5 1HG PRO 5 -22.819 2.964 -15.005 30 1HD PRO 5 1HD PRO 5 -20.568 4.131 -16.008 31 2HD PRO 5 2HD PRO 5 -22.174 4.627 -16.566 32 H VAL 6 H VAL 6 -22.226 7.960 -12.254 33 HA VAL 6 HA VAL 6 -19.647 7.716 -11.019 34 HB VAL 6 HB VAL 6 -20.845 9.823 -11.456 35 1HG1 VAL 6 2HG1 VAL 6 -23.163 9.151 -10.805 36 2HG1 VAL 6 1HG1 VAL 6 -22.672 9.131 -9.114 37 3HG1 VAL 6 3HG1 VAL 6 -22.654 10.639 -10.016 38 1HG2 VAL 6 1HG2 VAL 6 -18.993 9.717 -9.750 39 2HG2 VAL 6 3HG2 VAL 6 -20.149 11.007 -9.439 40 3HG2 VAL 6 2HG2 VAL 6 -20.201 9.539 -8.479 41 H GLU 7 H GLU 7 -22.395 5.867 -10.602 42 HA GLU 7 HA GLU 7 -22.475 5.614 -7.763 43 1HB GLU 7 2HB GLU 7 -23.385 3.581 -9.882 44 2HB GLU 7 1HB GLU 7 -23.996 3.718 -8.255 45 1HG GLU 7 2HG GLU 7 -24.415 5.716 -10.545 46 2HG GLU 7 1HG GLU 7 -25.599 4.625 -9.883 47 H THR 8 H THR 8 -20.258 5.401 -7.281 48 HA THR 8 HA THR 8 -18.747 3.193 -8.264 49 HB THR 8 HB THR 8 -17.599 5.164 -7.514 50 HG1 THR 8 HG1 THR 8 -16.647 2.877 -5.826 51 1HG2 THR 8 2HG2 THR 8 -18.911 4.837 -4.747 52 2HG2 THR 8 1HG2 THR 8 -17.551 5.924 -5.080 53 3HG2 THR 8 3HG2 THR 8 -19.050 6.101 -5.930 54 H LEU 9 H LEU 9 -17.930 1.470 -7.337 55 HA LEU 9 HA LEU 9 -18.786 0.435 -4.753 56 1HB LEU 9 2HB LEU 9 -19.853 -1.649 -5.951 57 2HB LEU 9 1HB LEU 9 -20.782 -0.196 -5.818 58 HG LEU 9 HG LEU 9 -20.322 0.435 -8.137 59 1HD1 LEU 9 1HD1 LEU 9 -18.644 -2.104 -8.343 60 2HD1 LEU 9 3HD1 LEU 9 -19.179 -1.135 -9.712 61 3HD1 LEU 9 2HD1 LEU 9 -18.073 -0.446 -8.544 62 1HD2 LEU 9 1HD2 LEU 9 -22.265 -1.014 -7.646 63 2HD2 LEU 9 3HD2 LEU 9 -21.615 -1.342 -9.247 64 3HD2 LEU 9 2HD2 LEU 9 -21.281 -2.451 -7.918 65 H GLU 10 H GLU 10 -16.405 1.188 -5.926 66 HA GLU 10 HA GLU 10 -14.268 0.572 -6.111 67 1HB GLU 10 2HB GLU 10 -14.960 -0.928 -4.169 68 2HB GLU 10 1HB GLU 10 -15.024 -2.271 -5.285 69 1HG GLU 10 2HG GLU 10 -12.623 -2.015 -5.819 70 2HG GLU 10 1HG GLU 10 -12.543 -0.507 -4.930 71 H VAL 11 H VAL 11 -14.721 1.117 -8.146 72 HA VAL 11 HA VAL 11 -15.593 -0.505 -10.233 73 HB VAL 11 HB VAL 11 -15.666 1.902 -10.199 74 1HG1 VAL 11 1HG1 VAL 11 -13.486 2.459 -9.156 75 2HG1 VAL 11 3HG1 VAL 11 -12.656 2.026 -10.653 76 3HG1 VAL 11 2HG1 VAL 11 -13.778 3.374 -10.623 77 1HG2 VAL 11 1HG2 VAL 11 -15.823 0.765 -12.389 78 2HG2 VAL 11 3HG2 VAL 11 -15.079 2.352 -12.559 79 3HG2 VAL 11 2HG2 VAL 11 -14.083 0.902 -12.613 80 H GLU 12 H GLU 12 -12.246 0.255 -9.251 81 HA GLU 12 HA GLU 12 -11.340 -2.177 -10.696 82 1HB GLU 12 2HB GLU 12 -9.954 0.546 -10.974 83 2HB GLU 12 1HB GLU 12 -9.398 -0.967 -11.655 84 1HG GLU 12 2HG GLU 12 -11.568 -1.105 -12.995 85 2HG GLU 12 1HG GLU 12 -11.968 0.498 -12.406 86 H LYS 13 H LYS 13 -8.527 -1.591 -10.145 87 HA LYS 13 HA LYS 13 -8.508 -1.640 -7.146 88 1HB LYS 13 2HB LYS 13 -7.361 -3.709 -9.048 89 2HB LYS 13 1HB LYS 13 -6.864 -3.638 -7.398 90 1HG LYS 13 2HG LYS 13 -9.794 -4.036 -8.151 91 2HG LYS 13 1HG LYS 13 -8.669 -5.355 -7.951 92 1HD LYS 13 2HD LYS 13 -8.143 -4.670 -5.647 93 2HD LYS 13 1HD LYS 13 -9.175 -3.272 -5.818 94 1HE LYS 13 1HE LYS 13 -10.249 -6.110 -6.091 95 2HE LYS 13 2HE LYS 13 -10.184 -5.254 -4.545 96 1HZ LYS 13 3HZ LYS 13 -11.615 -4.292 -6.917 97 2HZ LYS 13 2HZ LYS 13 -12.301 -5.038 -5.546 98 3HZ LYS 13 1HZ LYS 13 -11.535 -3.544 -5.397 99 H TRP 14 H TRP 14 -7.129 -0.083 -9.903 100 HA TRP 14 HA TRP 14 -4.450 -0.572 -9.128 101 1HB TRP 14 2HB TRP 14 -3.455 0.827 -10.481 102 2HB TRP 14 1HB TRP 14 -4.844 0.331 -11.354 103 HD1 TRP 14 HD1 TRP 14 -5.921 2.180 -12.710 104 HE1 TRP 14 HE1 TRP 14 -5.670 4.699 -12.871 105 HE3 TRP 14 HE3 TRP 14 -3.208 3.059 -8.429 106 HZ2 TRP 14 HZ2 TRP 14 -4.352 6.809 -11.413 107 HZ3 TRP 14 HZ3 TRP 14 -2.580 5.344 -7.852 108 HH2 TRP 14 HH2 TRP 14 -3.201 7.223 -9.328 109 H PHE 15 H PHE 15 -6.754 1.826 -7.999 110 HA PHE 15 HA PHE 15 -4.744 2.761 -6.024 111 1HB PHE 15 2HB PHE 15 -6.030 4.429 -7.460 112 2HB PHE 15 1HB PHE 15 -7.499 3.961 -6.642 113 HD1 PHE 15 HD1 PHE 15 -4.076 5.295 -6.102 114 HD2 PHE 15 HD2 PHE 15 -8.010 4.901 -4.483 115 HE1 PHE 15 HE1 PHE 15 -3.504 6.910 -4.327 116 HE2 PHE 15 HE2 PHE 15 -7.437 6.501 -2.700 117 HZ PHE 15 HZ PHE 15 -5.187 7.508 -2.619 118 H PHE 16 H PHE 16 -4.717 1.794 -4.110 119 HA PHE 16 HA PHE 16 -7.299 0.954 -2.915 120 1HB PHE 16 2HB PHE 16 -5.280 -0.906 -3.853 121 2HB PHE 16 1HB PHE 16 -5.094 -0.936 -2.126 122 HD1 PHE 16 HD2 PHE 16 -8.101 -0.580 -4.382 123 HD2 PHE 16 HD1 PHE 16 -6.163 -2.839 -1.296 124 HE1 PHE 16 HE2 PHE 16 -10.087 -1.965 -4.164 125 HE2 PHE 16 HE1 PHE 16 -8.205 -4.251 -1.113 126 HZ PHE 16 HZ PHE 16 -10.147 -3.823 -2.553 127 H ARG 17 H ARG 17 -7.291 0.553 -0.709 128 HA ARG 17 HA ARG 17 -5.906 2.744 0.651 129 1HB ARG 17 2HB ARG 17 -8.152 0.812 1.364 130 2HB ARG 17 1HB ARG 17 -7.332 1.577 2.683 131 1HG ARG 17 2HG ARG 17 -7.685 3.813 1.575 132 2HG ARG 17 1HG ARG 17 -8.747 3.034 0.422 133 1HD ARG 17 2HD ARG 17 -10.302 2.392 2.258 134 2HD ARG 17 1HD ARG 17 -9.124 2.968 3.465 135 HE ARG 17 HE ARG 17 -9.711 5.035 1.604 136 1HH1 ARG 17 1HH2 ARG 17 -11.099 3.261 4.313 137 2HH1 ARG 17 2HH2 ARG 17 -12.057 4.592 4.868 138 1HH2 ARG 17 2HH1 ARG 17 -10.983 6.766 2.346 139 2HH2 ARG 17 1HH1 ARG 17 -11.992 6.590 3.741 140 H THR 18 H THR 18 -5.549 1.789 3.148 141 HA THR 18 HA THR 18 -2.995 0.418 2.801 142 HB THR 18 HB THR 18 -2.664 2.083 4.282 143 HG1 THR 18 HG1 THR 18 -3.105 -0.181 6.152 144 1HG2 THR 18 3HG2 THR 18 -5.482 1.831 5.475 145 2HG2 THR 18 2HG2 THR 18 -4.224 2.982 5.993 146 3HG2 THR 18 1HG2 THR 18 -4.808 3.004 4.390 147 H ILE 19 H ILE 19 -4.151 -1.361 1.987 148 HA ILE 19 HA ILE 19 -5.401 -3.206 3.863 149 HB ILE 19 HB ILE 19 -5.612 -2.997 1.258 150 1HG1 ILE 19 1HG1 ILE 19 -5.525 -5.624 2.628 151 2HG1 ILE 19 2HG1 ILE 19 -6.882 -4.622 2.276 152 1HG2 ILE 19 3HG2 ILE 19 -3.165 -3.098 0.763 153 2HG2 ILE 19 2HG2 ILE 19 -3.253 -4.835 1.143 154 3HG2 ILE 19 1HG2 ILE 19 -4.180 -4.137 -0.205 155 1HD1 ILE 19 3HD1 ILE 19 -6.419 -4.913 -0.238 156 2HD1 ILE 19 2HD1 ILE 19 -5.238 -6.104 0.146 157 3HD1 ILE 19 1HD1 ILE 19 -6.924 -6.396 0.573 158 H SER 20 H SER 20 -4.187 -5.442 4.169 159 HA SER 20 HA SER 20 -1.537 -4.568 5.140 160 1HB SER 20 2HB SER 20 -2.878 -6.236 6.530 161 2HB SER 20 1HB SER 20 -2.834 -7.351 5.267 162 HG SER 20 HG SER 20 -0.022 -6.973 6.213 163 H ARG 21 H ARG 21 0.367 -5.642 4.621 164 HA ARG 21 HA ARG 21 1.139 -5.706 2.022 165 1HB ARG 21 2HB ARG 21 2.682 -5.963 4.097 166 2HB ARG 21 1HB ARG 21 2.319 -7.648 4.104 167 1HG ARG 21 2HG ARG 21 4.060 -7.998 2.785 168 2HG ARG 21 1HG ARG 21 3.180 -7.305 1.461 169 1HD ARG 21 2HD ARG 21 4.976 -5.667 3.351 170 2HD ARG 21 1HD ARG 21 5.479 -6.323 1.813 171 HE ARG 21 HE ARG 21 3.983 -4.924 0.655 172 1HH1 ARG 21 1HH2 ARG 21 4.096 -4.238 4.111 173 2HH1 ARG 21 2HH2 ARG 21 3.381 -2.670 3.957 174 1HH2 ARG 21 2HH1 ARG 21 3.052 -2.885 0.481 175 2HH2 ARG 21 1HH1 ARG 21 2.795 -1.902 1.884 176 H LYS 22 H LYS 22 0.038 -8.644 3.850 177 HA LYS 22 HA LYS 22 0.496 -10.298 1.553 178 1HB LYS 22 2HB LYS 22 -0.275 -12.130 2.692 179 2HB LYS 22 1HB LYS 22 0.612 -11.191 3.891 180 1HG LYS 22 2HG LYS 22 -2.413 -11.341 3.569 181 2HG LYS 22 1HG LYS 22 -1.501 -12.274 4.723 182 1HD LYS 22 2HD LYS 22 -1.440 -9.307 4.565 183 2HD LYS 22 1HD LYS 22 -2.657 -10.116 5.507 184 1HE LYS 22 1HE LYS 22 -1.129 -9.910 7.254 185 2HE LYS 22 2HE LYS 22 -0.476 -11.383 6.566 186 1HZ LYS 22 3HZ LYS 22 1.029 -10.000 5.253 187 2HZ LYS 22 2HZ LYS 22 0.431 -8.645 6.091 188 3HZ LYS 22 1HZ LYS 22 1.240 -9.875 6.936 189 H ASP 23 H ASP 23 -2.047 -8.301 2.649 190 HA ASP 23 HA ASP 23 -4.117 -9.881 1.479 191 1HB ASP 23 2HB ASP 23 -4.012 -6.967 2.465 192 2HB ASP 23 1HB ASP 23 -5.492 -7.639 1.869 193 H ALA 24 H ALA 24 -2.562 -6.951 0.785 194 HA ALA 24 HA ALA 24 -3.805 -6.342 -1.722 195 1HB ALA 24 2HB ALA 24 -1.572 -5.294 -0.168 196 2HB ALA 24 1HB ALA 24 -1.030 -5.443 -1.831 197 3HB ALA 24 3HB ALA 24 -2.490 -4.507 -1.488 198 H GLU 25 H GLU 25 -1.137 -8.362 -0.870 199 HA GLU 25 HA GLU 25 -0.155 -8.874 -3.500 200 1HB GLU 25 2HB GLU 25 0.167 -10.344 -0.820 201 2HB GLU 25 1HB GLU 25 0.895 -10.956 -2.274 202 1HG GLU 25 2HG GLU 25 2.212 -8.879 -2.545 203 2HG GLU 25 1HG GLU 25 1.538 -8.207 -1.108 204 H ARG 26 H ARG 26 -2.473 -10.384 -1.285 205 HA ARG 26 HA ARG 26 -2.842 -12.828 -2.556 206 1HB ARG 26 2HB ARG 26 -4.638 -13.146 -1.093 207 2HB ARG 26 1HB ARG 26 -3.823 -11.819 -0.333 208 1HG ARG 26 2HG ARG 26 -5.695 -10.401 -1.806 209 2HG ARG 26 1HG ARG 26 -6.497 -11.909 -1.642 210 1HD ARG 26 2HD ARG 26 -5.646 -11.422 0.991 211 2HD ARG 26 1HD ARG 26 -6.038 -9.809 0.406 212 HE ARG 26 HE ARG 26 -7.837 -12.180 0.429 213 1HH1 ARG 26 1HH2 ARG 26 -7.426 -8.674 0.481 214 2HH1 ARG 26 2HH2 ARG 26 -9.095 -8.366 0.833 215 1HH2 ARG 26 2HH1 ARG 26 -9.995 -11.739 0.892 216 2HH2 ARG 26 1HH1 ARG 26 -10.545 -10.108 1.070 217 H GLN 27 H GLN 27 -4.060 -9.723 -3.210 218 HA GLN 27 HA GLN 27 -6.143 -10.477 -5.067 219 1HB GLN 27 2HB GLN 27 -4.806 -7.735 -4.891 220 2HB GLN 27 1HB GLN 27 -6.382 -8.096 -5.561 221 1HG GLN 27 2HG GLN 27 -7.040 -8.957 -3.196 222 2HG GLN 27 1HG GLN 27 -5.535 -8.267 -2.641 223 1HE2 GLN 27 2HE2 GLN 27 -8.799 -5.981 -3.353 224 2HE2 GLN 27 1HE2 GLN 27 -8.776 -7.682 -3.658 225 H LEU 28 H LEU 28 -2.732 -9.461 -5.574 226 HA LEU 28 HA LEU 28 -3.096 -9.420 -8.438 227 1HB LEU 28 2HB LEU 28 -0.571 -9.198 -6.796 228 2HB LEU 28 1HB LEU 28 -0.711 -8.756 -8.483 229 HG LEU 28 HG LEU 28 -2.490 -7.501 -6.386 230 1HD1 LEU 28 1HD1 LEU 28 0.301 -6.732 -7.273 231 2HD1 LEU 28 3HD1 LEU 28 -0.843 -5.626 -6.530 232 3HD1 LEU 28 2HD1 LEU 28 -0.285 -7.045 -5.630 233 1HD2 LEU 28 2HD2 LEU 28 -3.004 -7.317 -8.965 234 2HD2 LEU 28 1HD2 LEU 28 -2.970 -5.835 -8.021 235 3HD2 LEU 28 3HD2 LEU 28 -1.586 -6.271 -8.969 236 H LEU 29 H LEU 29 -1.838 -11.611 -5.981 237 HA LEU 29 HA LEU 29 -0.556 -13.493 -7.679 238 1HB LEU 29 2HB LEU 29 -1.682 -13.522 -4.848 239 2HB LEU 29 1HB LEU 29 -0.878 -14.916 -5.499 240 HG LEU 29 HG LEU 29 0.524 -12.189 -5.479 241 1HD1 LEU 29 3HD1 LEU 29 -0.234 -12.784 -3.165 242 2HD1 LEU 29 2HD1 LEU 29 0.597 -14.322 -3.287 243 3HD1 LEU 29 1HD1 LEU 29 1.526 -12.825 -3.323 244 1HD2 LEU 29 3HD2 LEU 29 1.357 -14.285 -6.852 245 2HD2 LEU 29 2HD2 LEU 29 2.531 -13.547 -5.744 246 3HD2 LEU 29 1HD2 LEU 29 1.688 -15.032 -5.319 247 H ALA 30 H ALA 30 -3.855 -12.698 -7.147 248 HA ALA 30 HA ALA 30 -5.056 -15.232 -7.318 249 1HB ALA 30 2HB ALA 30 -6.256 -13.094 -6.682 250 2HB ALA 30 1HB ALA 30 -6.100 -12.512 -8.340 251 3HB ALA 30 3HB ALA 30 -7.085 -13.921 -7.996 252 HA PRO 31 HA PRO 31 -4.193 -16.289 -11.548 253 1HB PRO 31 2HB PRO 31 -6.232 -18.116 -12.042 254 2HB PRO 31 1HB PRO 31 -4.838 -18.430 -11.019 255 1HG PRO 31 2HG PRO 31 -7.565 -17.539 -10.125 256 2HG PRO 31 1HG PRO 31 -6.569 -18.833 -9.426 257 1HD PRO 31 1HD PRO 31 -6.688 -16.373 -8.301 258 2HD PRO 31 2HD PRO 31 -5.162 -17.295 -8.321 259 H MET 32 H MET 32 -6.782 -14.298 -10.666 260 HA MET 32 HA MET 32 -8.243 -14.173 -13.056 261 1HB MET 32 2HB MET 32 -7.841 -12.587 -10.487 262 2HB MET 32 1HB MET 32 -8.841 -11.979 -11.740 263 1HG MET 32 2HG MET 32 -10.424 -13.066 -10.427 264 2HG MET 32 1HG MET 32 -10.093 -14.275 -11.634 265 1HE MET 32 1HE MET 32 -9.319 -12.891 -8.174 266 2HE MET 32 3HE MET 32 -10.785 -13.858 -8.045 267 3HE MET 32 2HE MET 32 -9.312 -14.342 -7.166 268 H ASN 33 H ASN 33 -5.498 -12.605 -11.634 269 HA ASN 33 HA ASN 33 -5.166 -10.812 -14.010 270 1HB ASN 33 2HB ASN 33 -4.097 -10.153 -11.201 271 2HB ASN 33 1HB ASN 33 -4.278 -9.099 -12.604 272 1HD2 ASN 33 2HD2 ASN 33 -7.262 -9.521 -9.968 273 2HD2 ASN 33 1HD2 ASN 33 -5.698 -10.200 -9.742 274 H LYS 34 H LYS 34 -2.767 -9.787 -13.681 275 HA LYS 34 HA LYS 34 -0.714 -11.652 -13.124 276 1HB LYS 34 2HB LYS 34 0.089 -12.104 -15.465 277 2HB LYS 34 1HB LYS 34 -1.452 -12.802 -15.130 278 1HG LYS 34 2HG LYS 34 -1.688 -11.919 -17.278 279 2HG LYS 34 1HG LYS 34 -2.546 -10.775 -16.278 280 1HD LYS 34 2HD LYS 34 -0.652 -9.219 -16.371 281 2HD LYS 34 1HD LYS 34 0.356 -10.395 -17.142 282 1HE LYS 34 1HE LYS 34 -0.412 -8.764 -18.795 283 2HE LYS 34 2HE LYS 34 -1.114 -10.327 -19.180 284 1HZ LYS 34 3HZ LYS 34 -2.436 -8.101 -17.788 285 2HZ LYS 34 2HZ LYS 34 -2.670 -8.573 -19.402 286 3HZ LYS 34 1HZ LYS 34 -3.149 -9.607 -18.139 287 H ALA 35 H ALA 35 1.422 -10.913 -14.144 288 HA ALA 35 HA ALA 35 2.296 -8.633 -13.163 289 1HB ALA 35 1HB ALA 35 3.729 -10.354 -14.283 290 2HB ALA 35 3HB ALA 35 3.210 -9.786 -15.861 291 3HB ALA 35 2HB ALA 35 4.164 -8.737 -14.809 292 H GLY 36 H GLY 36 1.889 -6.651 -13.283 293 1HA GLY 36 2HA GLY 36 2.000 -4.624 -14.409 294 2HA GLY 36 1HA GLY 36 1.085 -5.272 -15.789 295 H SER 37 H SER 37 -0.793 -6.659 -13.979 296 HA SER 37 HA SER 37 -2.573 -4.633 -13.129 297 1HB SER 37 2HB SER 37 -3.808 -6.427 -11.991 298 2HB SER 37 1HB SER 37 -3.385 -7.021 -13.510 299 HG SER 37 HG SER 37 -1.310 -8.060 -11.751 300 H PHE 38 H PHE 38 -2.571 -3.462 -11.240 301 HA PHE 38 HA PHE 38 -0.616 -4.146 -9.104 302 1HB PHE 38 2HB PHE 38 -1.093 -1.383 -10.491 303 2HB PHE 38 1HB PHE 38 -0.278 -1.518 -8.981 304 HD1 PHE 38 HD1 PHE 38 0.783 -3.954 -11.633 305 HD2 PHE 38 HD2 PHE 38 1.315 -0.121 -9.873 306 HE1 PHE 38 HE1 PHE 38 2.941 -3.704 -12.728 307 HE2 PHE 38 HE2 PHE 38 3.599 -0.029 -10.723 308 HZ PHE 38 HZ PHE 38 4.424 -1.875 -12.184 309 H LEU 39 H LEU 39 -0.932 -2.519 -7.380 310 HA LEU 39 HA LEU 39 -3.604 -1.381 -6.771 311 1HB LEU 39 2HB LEU 39 -2.077 -2.499 -4.396 312 2HB LEU 39 1HB LEU 39 -3.767 -2.367 -4.601 313 HG LEU 39 HG LEU 39 -2.350 -4.418 -6.239 314 1HD1 LEU 39 2HD1 LEU 39 -1.566 -4.323 -3.656 315 2HD1 LEU 39 1HD1 LEU 39 -3.087 -5.130 -3.431 316 3HD1 LEU 39 3HD1 LEU 39 -1.840 -5.835 -4.476 317 1HD2 LEU 39 2HD2 LEU 39 -4.848 -4.208 -6.285 318 2HD2 LEU 39 1HD2 LEU 39 -4.179 -5.778 -5.731 319 3HD2 LEU 39 3HD2 LEU 39 -4.790 -4.604 -4.528 320 H ILE 40 H ILE 40 -3.209 0.377 -4.872 321 HA ILE 40 HA ILE 40 -0.256 0.836 -4.561 322 HB ILE 40 HB ILE 40 -1.614 2.116 -6.648 323 1HG1 ILE 40 1HG1 ILE 40 0.332 3.950 -5.217 324 2HG1 ILE 40 2HG1 ILE 40 0.925 2.382 -5.671 325 1HG2 ILE 40 2HG2 ILE 40 -3.070 3.421 -5.041 326 2HG2 ILE 40 1HG2 ILE 40 -1.587 4.101 -4.354 327 3HG2 ILE 40 3HG2 ILE 40 -1.969 4.461 -5.999 328 1HD1 ILE 40 2HD1 ILE 40 -0.152 2.856 -8.111 329 2HD1 ILE 40 1HD1 ILE 40 -0.272 4.486 -7.493 330 3HD1 ILE 40 3HD1 ILE 40 1.309 3.683 -7.628 331 H ARG 41 H ARG 41 -0.622 -0.056 -2.606 332 HA ARG 41 HA ARG 41 -2.803 0.835 -0.948 333 1HB ARG 41 2HB ARG 41 -2.446 -1.054 0.265 334 2HB ARG 41 1HB ARG 41 -1.865 -1.524 -1.281 335 1HG ARG 41 2HG ARG 41 -0.213 -2.380 0.068 336 2HG ARG 41 1HG ARG 41 0.507 -0.836 -0.315 337 1HD ARG 41 2HD ARG 41 -0.924 -0.099 1.922 338 2HD ARG 41 1HD ARG 41 -0.732 -1.820 2.263 339 HE ARG 41 HE ARG 41 1.706 -0.587 1.484 340 1HH1 ARG 41 1HH2 ARG 41 -0.569 -0.903 4.159 341 2HH1 ARG 41 2HH2 ARG 41 0.576 -0.470 5.379 342 1HH2 ARG 41 2HH1 ARG 41 3.204 0.024 3.104 343 2HH2 ARG 41 1HH1 ARG 41 2.742 0.072 4.770 344 H GLU 42 H GLU 42 -2.774 2.413 0.525 345 HA GLU 42 HA GLU 42 -0.513 4.111 0.749 346 1HB GLU 42 2HB GLU 42 -1.860 5.533 2.165 347 2HB GLU 42 1HB GLU 42 -2.901 4.860 0.925 348 1HG GLU 42 2HG GLU 42 -3.591 3.171 2.632 349 2HG GLU 42 1HG GLU 42 -2.787 4.135 3.874 350 H SER 43 H SER 43 0.590 4.857 2.649 351 HA SER 43 HA SER 43 1.161 2.616 4.480 352 1HB SER 43 2HB SER 43 3.120 3.774 3.161 353 2HB SER 43 1HB SER 43 2.659 5.212 3.670 354 HG SER 43 HG SER 43 3.476 3.933 6.164 355 H GLU 44 H GLU 44 -0.305 2.790 6.051 356 HA GLU 44 HA GLU 44 -1.790 4.984 6.756 357 1HB GLU 44 2HB GLU 44 -2.403 3.601 8.783 358 2HB GLU 44 1HB GLU 44 -2.554 2.913 7.195 359 1HG GLU 44 2HG GLU 44 -1.639 1.252 8.809 360 2HG GLU 44 1HG GLU 44 -0.540 1.532 7.480 361 H SER 45 H SER 45 1.444 4.386 7.753 362 HA SER 45 HA SER 45 1.532 5.794 10.221 363 1HB SER 45 2HB SER 45 3.996 5.616 9.834 364 2HB SER 45 1HB SER 45 3.182 4.161 9.550 365 HG SER 45 HG SER 45 3.543 5.519 6.908 366 H ASN 46 H ASN 46 1.673 6.843 6.829 367 HA ASN 46 HA ASN 46 2.402 9.612 7.609 368 1HB ASN 46 2HB ASN 46 3.430 9.584 5.187 369 2HB ASN 46 1HB ASN 46 4.356 8.728 6.315 370 1HD2 ASN 46 2HD2 ASN 46 4.256 5.769 4.774 371 2HD2 ASN 46 1HD2 ASN 46 4.965 6.832 5.930 372 H LYS 47 H LYS 47 2.119 10.870 5.489 373 HA LYS 47 HA LYS 47 -0.680 11.097 4.948 374 1HB LYS 47 2HB LYS 47 0.041 13.203 3.709 375 2HB LYS 47 1HB LYS 47 0.191 13.159 5.434 376 1HG LYS 47 2HG LYS 47 2.511 12.124 3.915 377 2HG LYS 47 1HG LYS 47 2.266 13.843 3.772 378 1HD LYS 47 2HD LYS 47 2.265 12.549 6.527 379 2HD LYS 47 1HD LYS 47 3.781 12.789 5.700 380 1HE LYS 47 1HE LYS 47 3.455 14.697 7.139 381 2HE LYS 47 2HE LYS 47 3.252 15.270 5.494 382 1HZ LYS 47 3HZ LYS 47 1.083 14.565 7.357 383 2HZ LYS 47 2HZ LYS 47 1.616 16.137 6.984 384 3HZ LYS 47 1HZ LYS 47 0.892 15.176 5.788 385 H GLY 48 H GLY 48 1.222 12.047 2.552 386 1HA GLY 48 2HA GLY 48 -0.117 10.482 0.507 387 2HA GLY 48 1HA GLY 48 1.181 11.688 0.270 388 H ALA 49 H ALA 49 1.884 9.007 2.445 389 HA ALA 49 HA ALA 49 3.760 8.058 0.304 390 1HB ALA 49 1HB ALA 49 4.361 8.374 3.101 391 2HB ALA 49 3HB ALA 49 4.228 6.611 2.774 392 3HB ALA 49 2HB ALA 49 5.337 7.623 1.859 393 H PHE 50 H PHE 50 3.551 6.209 -0.650 394 HA PHE 50 HA PHE 50 1.438 4.334 0.267 395 1HB PHE 50 2HB PHE 50 2.043 5.424 -2.538 396 2HB PHE 50 1HB PHE 50 1.094 4.001 -2.349 397 HD1 PHE 50 HD1 PHE 50 1.269 7.613 -1.703 398 HD2 PHE 50 HD2 PHE 50 -1.215 4.157 -1.701 399 HE1 PHE 50 HE1 PHE 50 -0.724 9.057 -1.515 400 HE2 PHE 50 HE2 PHE 50 -3.214 5.581 -1.533 401 HZ PHE 50 HZ PHE 50 -2.972 8.048 -1.432 402 H SER 51 H SER 51 1.719 2.402 -1.417 403 HA SER 51 HA SER 51 4.509 1.556 -1.740 404 1HB SER 51 2HB SER 51 2.677 -0.723 -0.903 405 2HB SER 51 1HB SER 51 4.268 -0.395 -0.539 406 HG SER 51 HG SER 51 2.434 1.362 1.106 407 H LEU 52 H LEU 52 4.576 -0.335 -3.397 408 HA LEU 52 HA LEU 52 2.050 -0.364 -4.980 409 1HB LEU 52 2HB LEU 52 3.467 1.571 -5.676 410 2HB LEU 52 1HB LEU 52 4.804 0.534 -6.008 411 HG LEU 52 HG LEU 52 3.600 -0.480 -7.901 412 1HD1 LEU 52 1HD1 LEU 52 1.250 0.664 -6.572 413 2HD1 LEU 52 3HD1 LEU 52 1.256 1.059 -8.249 414 3HD1 LEU 52 2HD1 LEU 52 1.359 -0.635 -7.715 415 1HD2 LEU 52 2HD2 LEU 52 3.460 2.584 -7.908 416 2HD2 LEU 52 1HD2 LEU 52 4.802 1.589 -8.472 417 3HD2 LEU 52 3HD2 LEU 52 3.271 1.606 -9.348 418 H SER 53 H SER 53 1.473 -2.235 -4.978 419 HA SER 53 HA SER 53 3.143 -4.634 -5.043 420 1HB SER 53 1HB SER 53 0.127 -4.646 -5.077 421 2HB SER 53 2HB SER 53 1.181 -5.777 -4.401 422 HG SER 53 HG SER 53 1.301 -3.193 -2.826 423 H VAL 54 H VAL 54 3.502 -5.816 -6.822 424 HA VAL 54 HA VAL 54 1.685 -5.608 -9.180 425 HB VAL 54 HB VAL 54 4.760 -5.590 -9.468 426 1HG1 VAL 54 1HG1 VAL 54 2.600 -5.463 -11.545 427 2HG1 VAL 54 3HG1 VAL 54 4.306 -4.987 -11.814 428 3HG1 VAL 54 2HG1 VAL 54 3.898 -6.604 -11.361 429 1HG2 VAL 54 1HG2 VAL 54 2.919 -3.210 -9.362 430 2HG2 VAL 54 3HG2 VAL 54 4.329 -3.560 -8.390 431 3HG2 VAL 54 2HG2 VAL 54 4.559 -3.267 -10.093 432 H LYS 55 H LYS 55 1.643 -7.643 -10.458 433 HA LYS 55 HA LYS 55 2.673 -9.822 -8.810 434 1HB LYS 55 2HB LYS 55 0.510 -9.863 -9.918 435 2HB LYS 55 1HB LYS 55 1.314 -9.705 -11.491 436 1HG LYS 55 2HG LYS 55 0.362 -11.866 -11.141 437 2HG LYS 55 1HG LYS 55 2.067 -12.010 -11.336 438 1HD LYS 55 2HD LYS 55 0.702 -11.960 -8.602 439 2HD LYS 55 1HD LYS 55 0.899 -13.428 -9.526 440 1HE LYS 55 1HE LYS 55 3.034 -11.710 -8.264 441 2HE LYS 55 2HE LYS 55 2.779 -13.402 -8.019 442 1HZ LYS 55 1HZ LYS 55 3.699 -12.275 -10.556 443 2HZ LYS 55 3HZ LYS 55 4.697 -12.886 -9.335 444 3HZ LYS 55 2HZ LYS 55 3.591 -13.914 -10.123 445 H ASP 56 H ASP 56 5.160 -9.933 -8.879 446 HA ASP 56 HA ASP 56 6.335 -9.684 -11.481 447 1HB ASP 56 2HB ASP 56 7.217 -8.671 -9.556 448 2HB ASP 56 1HB ASP 56 7.603 -10.201 -8.831 449 H ILE 57 H ILE 57 6.007 -11.098 -12.888 450 HA ILE 57 HA ILE 57 5.975 -13.972 -12.201 451 HB ILE 57 HB ILE 57 5.039 -12.544 -14.694 452 1HG1 ILE 57 1HG1 ILE 57 3.604 -13.703 -12.278 453 2HG1 ILE 57 2HG1 ILE 57 3.622 -12.040 -12.806 454 1HG2 ILE 57 1HG2 ILE 57 5.817 -14.891 -15.189 455 2HG2 ILE 57 3HG2 ILE 57 4.762 -15.497 -13.915 456 3HG2 ILE 57 2HG2 ILE 57 4.086 -14.753 -15.364 457 1HD1 ILE 57 1HD1 ILE 57 2.360 -12.770 -14.894 458 2HD1 ILE 57 3HD1 ILE 57 2.240 -14.380 -14.144 459 3HD1 ILE 57 2HD1 ILE 57 1.483 -12.994 -13.374 460 H THR 58 H THR 58 7.637 -15.060 -12.429 461 HA THR 58 HA THR 58 9.496 -14.762 -14.670 462 HB THR 58 HB THR 58 10.429 -13.333 -12.953 463 HG1 THR 58 HG1 THR 58 12.135 -15.780 -13.000 464 1HG2 THR 58 3HG2 THR 58 9.869 -15.466 -10.819 465 2HG2 THR 58 2HG2 THR 58 10.891 -14.045 -10.556 466 3HG2 THR 58 1HG2 THR 58 9.233 -13.863 -11.014 467 H THR 59 H THR 59 11.149 -16.607 -14.603 468 HA THR 59 HA THR 59 9.598 -19.006 -14.227 469 HB THR 59 HB THR 59 10.973 -19.085 -16.054 470 HG1 THR 59 HG1 THR 59 12.078 -21.112 -14.153 471 1HG2 THR 59 2HG2 THR 59 13.496 -18.307 -14.462 472 2HG2 THR 59 1HG2 THR 59 13.469 -18.897 -16.108 473 3HG2 THR 59 3HG2 THR 59 12.619 -17.454 -15.737 474 H GLN 60 H GLN 60 11.206 -17.180 -11.964 475 HA GLN 60 HA GLN 60 12.084 -19.529 -10.375 476 1HB GLN 60 2HB GLN 60 12.386 -16.560 -9.875 477 2HB GLN 60 1HB GLN 60 12.802 -17.733 -8.692 478 1HG GLN 60 2HG GLN 60 14.027 -17.934 -11.494 479 2HG GLN 60 1HG GLN 60 14.742 -16.944 -10.234 480 1HE2 GLN 60 2HE2 GLN 60 15.838 -19.623 -8.210 481 2HE2 GLN 60 1HE2 GLN 60 15.320 -17.974 -8.209 482 H GLY 61 H GLY 61 9.331 -17.409 -10.685 483 1HA GLY 61 2HA GLY 61 7.550 -18.845 -9.338 484 2HA GLY 61 1HA GLY 61 8.383 -18.016 -7.967 485 H GLU 62 H GLU 62 5.609 -17.854 -8.647 486 HA GLU 62 HA GLU 62 5.139 -15.263 -9.760 487 1HB GLU 62 2HB GLU 62 3.848 -17.626 -9.764 488 2HB GLU 62 1HB GLU 62 3.163 -17.077 -8.256 489 1HG GLU 62 2HG GLU 62 2.265 -15.091 -9.376 490 2HG GLU 62 1HG GLU 62 3.030 -15.561 -10.896 491 H VAL 63 H VAL 63 6.050 -13.676 -8.407 492 HA VAL 63 HA VAL 63 5.335 -13.669 -5.514 493 HB VAL 63 HB VAL 63 7.503 -12.589 -5.198 494 1HG1 VAL 63 3HG1 VAL 63 7.593 -15.069 -5.359 495 2HG1 VAL 63 2HG1 VAL 63 8.075 -14.929 -7.052 496 3HG1 VAL 63 1HG1 VAL 63 9.113 -14.288 -5.788 497 1HG2 VAL 63 1HG2 VAL 63 7.628 -12.255 -8.256 498 2HG2 VAL 63 3HG2 VAL 63 7.872 -11.110 -6.999 499 3HG2 VAL 63 2HG2 VAL 63 9.110 -12.295 -7.297 500 H VAL 64 H VAL 64 4.821 -11.377 -4.758 501 HA VAL 64 HA VAL 64 3.910 -9.769 -7.040 502 HB VAL 64 HB VAL 64 3.698 -9.246 -4.036 503 1HG1 VAL 64 2HG1 VAL 64 2.171 -7.895 -6.326 504 2HG1 VAL 64 1HG1 VAL 64 1.681 -7.843 -4.683 505 3HG1 VAL 64 3HG1 VAL 64 3.148 -7.012 -5.093 506 1HG2 VAL 64 3HG2 VAL 64 1.741 -10.250 -6.086 507 2HG2 VAL 64 2HG2 VAL 64 2.423 -11.217 -4.737 508 3HG2 VAL 64 1HG2 VAL 64 1.332 -9.844 -4.451 509 H LYS 65 H LYS 65 4.583 -7.372 -6.111 510 HA LYS 65 HA LYS 65 7.433 -6.993 -5.319 511 1HB LYS 65 2HB LYS 65 6.429 -5.991 -8.043 512 2HB LYS 65 1HB LYS 65 7.659 -5.128 -7.231 513 1HG LYS 65 2HG LYS 65 8.058 -8.090 -7.707 514 2HG LYS 65 1HG LYS 65 8.472 -6.936 -8.917 515 1HD LYS 65 2HD LYS 65 9.581 -6.863 -6.082 516 2HD LYS 65 1HD LYS 65 10.343 -7.682 -7.417 517 1HE LYS 65 1HE LYS 65 10.544 -5.530 -8.671 518 2HE LYS 65 2HE LYS 65 9.797 -4.670 -7.324 519 1HZ LYS 65 2HZ LYS 65 11.593 -5.410 -5.919 520 2HZ LYS 65 1HZ LYS 65 12.296 -6.209 -7.239 521 3HZ LYS 65 3HZ LYS 65 12.146 -4.518 -7.252 522 H HIS 66 H HIS 66 7.629 -5.393 -3.925 523 HA HIS 66 HA HIS 66 5.486 -3.284 -3.866 524 1HB HIS 66 2HB HIS 66 7.179 -4.386 -1.566 525 2HB HIS 66 1HB HIS 66 5.935 -3.150 -1.419 526 HD1 HIS 66 HD1 HIS 66 3.711 -4.397 -3.151 527 HD2 HIS 66 HD2 HIS 66 6.060 -6.545 -0.423 528 HE1 HIS 66 HE1 HIS 66 2.370 -6.448 -2.447 529 H TYR 67 H TYR 67 6.252 -1.474 -4.805 530 HA TYR 67 HA TYR 67 9.069 -0.671 -4.308 531 1HB TYR 67 2HB TYR 67 7.014 0.864 -5.952 532 2HB TYR 67 1HB TYR 67 8.746 1.053 -5.978 533 HD1 TYR 67 HD1 TYR 67 10.169 -0.820 -6.995 534 HD2 TYR 67 HD2 TYR 67 5.920 -0.753 -7.247 535 HE1 TYR 67 HE1 TYR 67 10.271 -2.319 -8.918 536 HE2 TYR 67 HE2 TYR 67 5.924 -2.186 -9.067 537 HH TYR 67 HH TYR 67 7.950 -4.071 -10.334 538 H LYS 68 H LYS 68 9.255 1.856 -3.892 539 HA LYS 68 HA LYS 68 7.342 2.617 -1.765 540 1HB LYS 68 2HB LYS 68 9.275 3.632 -0.594 541 2HB LYS 68 1HB LYS 68 9.241 1.890 -0.663 542 1HG LYS 68 2HG LYS 68 10.728 3.402 -2.768 543 2HG LYS 68 1HG LYS 68 11.464 3.217 -1.197 544 1HD LYS 68 2HD LYS 68 10.390 0.646 -2.173 545 2HD LYS 68 1HD LYS 68 11.463 1.349 -3.345 546 1HE LYS 68 1HE LYS 68 12.744 -0.118 -1.850 547 2HE LYS 68 2HE LYS 68 13.259 1.544 -1.578 548 1HZ LYS 68 2HZ LYS 68 11.303 0.073 0.059 549 2HZ LYS 68 1HZ LYS 68 12.940 0.313 0.440 550 3HZ LYS 68 3HZ LYS 68 11.884 1.641 0.342 551 H ILE 69 H ILE 69 6.193 3.914 -2.552 552 HA ILE 69 HA ILE 69 6.935 6.233 -4.158 553 HB ILE 69 HB ILE 69 4.311 6.440 -3.919 554 1HG1 ILE 69 1HG1 ILE 69 4.857 3.512 -4.134 555 2HG1 ILE 69 2HG1 ILE 69 3.992 4.392 -2.896 556 1HG2 ILE 69 2HG2 ILE 69 5.740 6.910 -5.935 557 2HG2 ILE 69 1HG2 ILE 69 5.265 5.282 -6.454 558 3HG2 ILE 69 3HG2 ILE 69 4.047 6.506 -6.052 559 1HD1 ILE 69 1HD1 ILE 69 3.290 4.263 -5.853 560 2HD1 ILE 69 3HD1 ILE 69 2.471 3.360 -4.540 561 3HD1 ILE 69 2HD1 ILE 69 2.398 5.135 -4.587 562 H ARG 70 H ARG 70 7.685 7.890 -3.074 563 HA ARG 70 HA ARG 70 6.428 8.610 -0.469 564 1HB ARG 70 2HB ARG 70 8.821 9.808 -2.009 565 2HB ARG 70 1HB ARG 70 8.184 10.508 -0.568 566 1HG ARG 70 2HG ARG 70 9.942 9.272 0.243 567 2HG ARG 70 1HG ARG 70 8.567 8.247 0.614 568 1HD ARG 70 2HD ARG 70 9.007 6.832 -1.307 569 2HD ARG 70 1HD ARG 70 10.206 7.957 -1.954 570 HE ARG 70 HE ARG 70 10.538 5.985 0.190 571 1HH1 ARG 70 1HH2 ARG 70 11.773 8.913 -1.304 572 2HH1 ARG 70 2HH2 ARG 70 13.360 8.771 -0.635 573 1HH2 ARG 70 2HH1 ARG 70 12.643 5.794 1.076 574 2HH2 ARG 70 1HH1 ARG 70 13.854 6.982 0.729 575 H SER 71 H SER 71 6.080 10.942 -0.248 576 HA SER 71 HA SER 71 4.741 12.028 -2.664 577 1HB SER 71 2HB SER 71 3.211 13.192 -0.850 578 2HB SER 71 1HB SER 71 2.878 11.628 -1.328 579 HG SER 71 HG SER 71 4.459 11.258 1.106 580 H LEU 72 H LEU 72 5.780 13.728 -3.392 581 HA LEU 72 HA LEU 72 7.482 15.300 -1.617 582 1HB LEU 72 2HB LEU 72 7.290 15.470 -4.643 583 2HB LEU 72 1HB LEU 72 8.618 15.945 -3.630 584 HG LEU 72 HG LEU 72 9.305 14.049 -4.614 585 1HD1 LEU 72 2HD1 LEU 72 8.354 13.262 -1.821 586 2HD1 LEU 72 1HD1 LEU 72 9.491 12.326 -2.730 587 3HD1 LEU 72 3HD1 LEU 72 9.853 14.010 -2.279 588 1HD2 LEU 72 2HD2 LEU 72 6.865 13.431 -5.312 589 2HD2 LEU 72 1HD2 LEU 72 8.038 12.168 -5.300 590 3HD2 LEU 72 3HD2 LEU 72 6.935 12.291 -3.956 591 H ASP 73 H ASP 73 7.499 17.375 -1.619 592 HA ASP 73 HA ASP 73 4.959 18.686 -1.533 593 1HB ASP 73 2HB ASP 73 6.322 20.821 -1.159 594 2HB ASP 73 1HB ASP 73 6.676 19.526 -0.024 595 H ASN 74 H ASN 74 7.458 18.589 -3.950 596 HA ASN 74 HA ASN 74 5.676 20.196 -5.712 597 1HB ASN 74 2HB ASN 74 7.705 21.359 -6.636 598 2HB ASN 74 1HB ASN 74 7.460 21.676 -4.933 599 1HD2 ASN 74 2HD2 ASN 74 10.953 21.219 -4.891 600 2HD2 ASN 74 1HD2 ASN 74 9.686 22.374 -5.102 601 H GLY 75 H GLY 75 6.976 17.301 -5.240 602 1HA GLY 75 2HA GLY 75 7.350 16.768 -8.168 603 2HA GLY 75 1HA GLY 75 8.279 15.918 -6.894 604 H GLY 76 H GLY 76 5.214 16.347 -5.958 605 1HA GLY 76 2HA GLY 76 3.263 15.026 -5.896 606 2HA GLY 76 1HA GLY 76 3.806 14.354 -7.466 607 H TYR 77 H TYR 77 5.207 12.546 -7.541 608 HA TYR 77 HA TYR 77 5.643 11.024 -5.106 609 1HB TYR 77 2HB TYR 77 3.901 9.785 -7.385 610 2HB TYR 77 1HB TYR 77 4.494 8.934 -5.990 611 HD1 TYR 77 HD2 TYR 77 2.277 11.648 -7.059 612 HD2 TYR 77 HD1 TYR 77 3.349 8.969 -3.952 613 HE1 TYR 77 HE2 TYR 77 0.267 12.324 -5.909 614 HE2 TYR 77 HE1 TYR 77 1.392 9.572 -2.707 615 HH TYR 77 HH TYR 77 -0.193 12.230 -2.793 616 H TYR 78 H TYR 78 7.177 9.724 -5.203 617 HA TYR 78 HA TYR 78 8.184 8.902 -7.905 618 1HB TYR 78 2HB TYR 78 10.332 9.661 -7.795 619 2HB TYR 78 1HB TYR 78 9.426 11.002 -7.191 620 HD1 TYR 78 HD1 TYR 78 11.643 8.169 -6.219 621 HD2 TYR 78 HD2 TYR 78 9.994 11.908 -4.987 622 HE1 TYR 78 HE1 TYR 78 13.187 8.183 -4.465 623 HE2 TYR 78 HE2 TYR 78 11.573 12.038 -3.203 624 HH TYR 78 HH TYR 78 14.336 10.634 -2.896 625 H ILE 79 H ILE 79 9.236 7.135 -8.123 626 HA ILE 79 HA ILE 79 9.613 5.369 -5.719 627 HB ILE 79 HB ILE 79 9.464 3.433 -7.535 628 1HG1 ILE 79 1HG1 ILE 79 7.608 5.606 -8.583 629 2HG1 ILE 79 2HG1 ILE 79 8.988 4.859 -9.373 630 1HG2 ILE 79 1HG2 ILE 79 7.199 4.590 -5.923 631 2HG2 ILE 79 3HG2 ILE 79 7.146 3.000 -6.696 632 3HG2 ILE 79 2HG2 ILE 79 8.343 3.336 -5.481 633 1HD1 ILE 79 1HD1 ILE 79 7.282 2.672 -8.683 634 2HD1 ILE 79 3HD1 ILE 79 6.176 3.943 -9.220 635 3HD1 ILE 79 2HD1 ILE 79 7.504 3.333 -10.240 636 H SER 80 H SER 80 10.901 6.702 -8.583 637 HA SER 80 HA SER 80 13.548 5.876 -7.757 638 1HB SER 80 2HB SER 80 12.395 4.738 -9.972 639 2HB SER 80 1HB SER 80 12.317 6.288 -10.584 640 HG SER 80 HG SER 80 15.201 5.484 -10.328 641 HA PRO 81 HA PRO 81 13.202 10.259 -7.355 642 1HB PRO 81 2HB PRO 81 16.089 10.736 -7.485 643 2HB PRO 81 1HB PRO 81 14.930 10.877 -6.140 644 1HG PRO 81 2HG PRO 81 16.829 8.865 -6.244 645 2HG PRO 81 1HG PRO 81 15.272 8.692 -5.439 646 1HD PRO 81 1HD PRO 81 16.039 7.753 -8.159 647 2HD PRO 81 2HD PRO 81 15.095 6.894 -6.913 648 H ARG 82 H ARG 82 14.823 9.050 -10.131 649 HA ARG 82 HA ARG 82 14.792 11.683 -11.446 650 1HB ARG 82 2HB ARG 82 15.297 10.290 -13.574 651 2HB ARG 82 1HB ARG 82 16.530 10.480 -12.377 652 1HG ARG 82 2HG ARG 82 14.745 8.050 -12.210 653 2HG ARG 82 1HG ARG 82 15.951 8.100 -13.443 654 1HD ARG 82 2HD ARG 82 17.781 8.450 -11.832 655 2HD ARG 82 1HD ARG 82 16.657 8.471 -10.471 656 HE ARG 82 HE ARG 82 16.164 6.110 -11.852 657 1HH1 ARG 82 1HH2 ARG 82 18.903 7.633 -10.229 658 2HH1 ARG 82 2HH2 ARG 82 19.668 6.136 -9.810 659 1HH2 ARG 82 2HH1 ARG 82 17.173 4.154 -11.259 660 2HH2 ARG 82 1HH1 ARG 82 18.673 4.150 -10.393 661 H ILE 83 H ILE 83 12.942 8.616 -11.711 662 HA ILE 83 HA ILE 83 10.919 10.123 -13.225 663 HB ILE 83 HB ILE 83 9.723 8.229 -13.695 664 1HG1 ILE 83 1HG1 ILE 83 12.128 6.612 -12.745 665 2HG1 ILE 83 2HG1 ILE 83 10.598 6.717 -11.877 666 1HG2 ILE 83 2HG2 ILE 83 11.275 9.303 -15.255 667 2HG2 ILE 83 1HG2 ILE 83 12.573 8.223 -14.713 668 3HG2 ILE 83 3HG2 ILE 83 11.147 7.591 -15.548 669 1HD1 ILE 83 3HD1 ILE 83 9.559 6.187 -14.270 670 2HD1 ILE 83 2HD1 ILE 83 11.140 5.544 -14.608 671 3HD1 ILE 83 1HD1 ILE 83 10.200 4.824 -13.293 672 H THR 84 H THR 84 9.959 11.261 -12.247 673 HA THR 84 HA THR 84 8.414 10.740 -9.781 674 HB THR 84 HB THR 84 9.253 13.531 -10.645 675 HG1 THR 84 HG1 THR 84 11.553 11.769 -10.003 676 1HG2 THR 84 2HG2 THR 84 8.070 12.605 -8.400 677 2HG2 THR 84 1HG2 THR 84 9.663 12.968 -7.770 678 3HG2 THR 84 3HG2 THR 84 8.805 14.180 -8.644 679 H PHE 85 H PHE 85 6.559 11.983 -9.757 680 HA PHE 85 HA PHE 85 5.449 13.140 -12.242 681 1HB PHE 85 2HB PHE 85 4.362 10.453 -11.257 682 2HB PHE 85 1HB PHE 85 3.476 11.470 -12.353 683 HD1 PHE 85 HD1 PHE 85 4.379 12.001 -14.632 684 HD2 PHE 85 HD2 PHE 85 6.294 9.204 -12.039 685 HE1 PHE 85 HE1 PHE 85 5.741 11.190 -16.520 686 HE2 PHE 85 HE2 PHE 85 7.662 8.406 -13.967 687 HZ PHE 85 HZ PHE 85 7.441 9.360 -16.127 688 HA PRO 86 HA PRO 86 3.306 15.581 -9.285 689 1HB PRO 86 2HB PRO 86 1.081 16.440 -10.683 690 2HB PRO 86 1HB PRO 86 2.726 16.983 -10.985 691 1HG PRO 86 2HG PRO 86 1.221 14.855 -12.485 692 2HG PRO 86 1HG PRO 86 2.185 16.172 -13.166 693 1HD PRO 86 1HD PRO 86 3.212 13.661 -12.932 694 2HD PRO 86 2HD PRO 86 4.240 15.083 -12.668 695 H THR 87 H THR 87 1.951 12.646 -10.367 696 HA THR 87 HA THR 87 0.502 12.281 -7.936 697 HB THR 87 HB THR 87 -1.286 13.406 -8.755 698 HG1 THR 87 HG1 THR 87 -2.018 10.581 -9.275 699 1HG2 THR 87 1HG2 THR 87 -0.747 12.397 -11.566 700 2HG2 THR 87 3HG2 THR 87 -2.232 13.265 -11.091 701 3HG2 THR 87 2HG2 THR 87 -0.671 13.989 -10.859 702 H LEU 88 H LEU 88 -0.438 10.070 -7.849 703 HA LEU 88 HA LEU 88 1.302 8.186 -9.011 704 1HB LEU 88 2HB LEU 88 -1.562 7.744 -7.944 705 2HB LEU 88 1HB LEU 88 -0.726 6.508 -8.761 706 HG LEU 88 HG LEU 88 -0.645 6.215 -6.456 707 1HD1 LEU 88 1HD1 LEU 88 1.398 5.719 -8.011 708 2HD1 LEU 88 3HD1 LEU 88 2.221 6.950 -7.084 709 3HD1 LEU 88 2HD1 LEU 88 1.470 5.541 -6.281 710 1HD2 LEU 88 1HD2 LEU 88 0.966 8.687 -6.275 711 2HD2 LEU 88 3HD2 LEU 88 -0.648 8.421 -5.524 712 3HD2 LEU 88 2HD2 LEU 88 0.775 7.433 -5.032 713 H GLN 89 H GLN 89 -1.735 9.684 -10.236 714 HA GLN 89 HA GLN 89 -2.141 7.470 -12.105 715 1HB GLN 89 2HB GLN 89 -4.015 8.330 -12.851 716 2HB GLN 89 1HB GLN 89 -3.988 8.854 -11.200 717 1HG GLN 89 2HG GLN 89 -2.837 10.991 -12.716 718 2HG GLN 89 1HG GLN 89 -4.154 10.266 -13.669 719 1HE2 GLN 89 2HE2 GLN 89 -4.900 11.894 -9.931 720 2HE2 GLN 89 1HE2 GLN 89 -3.420 11.101 -10.364 721 H ALA 90 H ALA 90 -0.450 10.444 -12.253 722 HA ALA 90 HA ALA 90 0.091 10.263 -15.107 723 1HB ALA 90 2HB ALA 90 1.469 11.876 -12.851 724 2HB ALA 90 1HB ALA 90 1.898 12.080 -14.543 725 3HB ALA 90 3HB ALA 90 0.273 12.476 -13.984 726 H LEU 91 H LEU 91 1.255 8.672 -12.418 727 HA LEU 91 HA LEU 91 3.785 7.721 -13.510 728 1HB LEU 91 2HB LEU 91 4.118 8.259 -11.366 729 2HB LEU 91 1HB LEU 91 2.496 8.123 -10.857 730 HG LEU 91 HG LEU 91 4.292 5.701 -11.271 731 1HD1 LEU 91 3HD1 LEU 91 5.320 7.257 -9.532 732 2HD1 LEU 91 2HD1 LEU 91 3.786 7.267 -8.683 733 3HD1 LEU 91 1HD1 LEU 91 4.700 5.778 -8.785 734 1HD2 LEU 91 3HD2 LEU 91 1.602 6.150 -9.932 735 2HD2 LEU 91 2HD2 LEU 91 2.103 4.910 -11.104 736 3HD2 LEU 91 1HD2 LEU 91 2.686 4.806 -9.467 737 H VAL 92 H VAL 92 0.415 6.642 -12.879 738 HA VAL 92 HA VAL 92 0.961 3.940 -13.599 739 HB VAL 92 HB VAL 92 -1.809 5.167 -13.289 740 1HG1 VAL 92 2HG1 VAL 92 -1.556 2.715 -13.753 741 2HG1 VAL 92 1HG1 VAL 92 -0.686 2.602 -12.156 742 3HG1 VAL 92 3HG1 VAL 92 -2.362 3.085 -12.234 743 1HG2 VAL 92 2HG2 VAL 92 0.140 5.047 -11.041 744 2HG2 VAL 92 1HG2 VAL 92 -1.385 5.902 -11.165 745 3HG2 VAL 92 3HG2 VAL 92 -1.332 4.259 -10.693 746 H GLN 93 H GLN 93 0.749 6.729 -15.302 747 HA GLN 93 HA GLN 93 -0.916 5.800 -17.529 748 1HB GLN 93 2HB GLN 93 -1.146 7.953 -18.271 749 2HB GLN 93 1HB GLN 93 -0.986 8.256 -16.570 750 1HG GLN 93 2HG GLN 93 1.481 8.773 -16.984 751 2HG GLN 93 1HG GLN 93 1.161 8.664 -18.700 752 1HE2 GLN 93 2HE2 GLN 93 1.059 12.176 -17.506 753 2HE2 GLN 93 1HE2 GLN 93 2.184 10.868 -17.377 754 H HIS 94 H HIS 94 2.272 7.059 -16.698 755 HA HIS 94 HA HIS 94 3.581 6.621 -19.131 756 1HB HIS 94 2HB HIS 94 4.461 8.062 -17.260 757 2HB HIS 94 1HB HIS 94 4.721 6.650 -16.261 758 HD1 HIS 94 HD1 HIS 94 7.287 6.898 -16.194 759 HD2 HIS 94 HD2 HIS 94 5.758 6.659 -20.094 760 HE1 HIS 94 HE1 HIS 94 9.261 6.631 -17.762 761 H TYR 95 H TYR 95 3.309 4.659 -16.180 762 HA TYR 95 HA TYR 95 4.863 2.505 -17.257 763 1HB TYR 95 2HB TYR 95 2.980 2.456 -14.881 764 2HB TYR 95 1HB TYR 95 4.171 1.229 -15.265 765 HD1 TYR 95 HD1 TYR 95 6.119 3.900 -16.158 766 HD2 TYR 95 HD2 TYR 95 4.160 2.354 -12.668 767 HE1 TYR 95 HE1 TYR 95 7.653 5.071 -14.831 768 HE2 TYR 95 HE2 TYR 95 5.617 3.532 -11.285 769 HH TYR 95 HH TYR 95 7.377 6.042 -11.872 770 H SER 96 H SER 96 1.465 3.337 -17.647 771 HA SER 96 HA SER 96 0.675 0.668 -18.389 772 1HB SER 96 2HB SER 96 -0.245 3.271 -19.813 773 2HB SER 96 1HB SER 96 -1.022 1.788 -19.975 774 HG SER 96 HG SER 96 -1.370 2.657 -17.146 775 H LYS 97 H LYS 97 2.464 3.032 -20.191 776 HA LYS 97 HA LYS 97 2.591 1.114 -22.472 777 1HB LYS 97 2HB LYS 97 3.418 4.030 -22.110 778 2HB LYS 97 1HB LYS 97 4.061 3.106 -23.426 779 1HG LYS 97 2HG LYS 97 2.138 4.266 -24.272 780 2HG LYS 97 1HG LYS 97 1.800 2.564 -24.255 781 1HD LYS 97 2HD LYS 97 -0.184 3.664 -23.483 782 2HD LYS 97 1HD LYS 97 0.504 2.865 -22.108 783 1HE LYS 97 1HE LYS 97 -0.196 5.072 -21.383 784 2HE LYS 97 2HE LYS 97 1.565 5.107 -21.428 785 1HZ LYS 97 1HZ LYS 97 1.443 6.110 -23.581 786 2HZ LYS 97 3HZ LYS 97 -0.253 6.103 -23.520 787 3HZ LYS 97 2HZ LYS 97 0.631 7.035 -22.409 788 H LYS 98 H LYS 98 4.868 3.004 -20.625 789 HA LYS 98 HA LYS 98 6.971 0.839 -20.852 790 1HB LYS 98 2HB LYS 98 6.980 3.113 -22.274 791 2HB LYS 98 1HB LYS 98 7.607 3.818 -20.813 792 1HG LYS 98 2HG LYS 98 8.742 1.480 -22.366 793 2HG LYS 98 1HG LYS 98 9.406 3.110 -22.296 794 1HD LYS 98 2HD LYS 98 9.807 2.728 -19.835 795 2HD LYS 98 1HD LYS 98 9.224 1.072 -20.084 796 1HE LYS 98 1HE LYS 98 11.580 0.902 -20.158 797 2HE LYS 98 2HE LYS 98 11.019 0.786 -21.824 798 1HZ LYS 98 1HZ LYS 98 12.063 3.221 -20.502 799 2HZ LYS 98 3HZ LYS 98 12.939 2.228 -21.567 800 3HZ LYS 98 2HZ LYS 98 11.592 3.099 -22.121 801 H GLY 99 H GLY 99 7.170 0.029 -18.901 802 1HA GLY 99 2HA GLY 99 6.498 1.044 -16.396 803 2HA GLY 99 1HA GLY 99 7.737 -0.218 -16.720 804 H ASP 100 H ASP 100 9.361 1.324 -18.265 805 HA ASP 100 HA ASP 100 11.393 2.269 -18.092 806 1HB ASP 100 2HB ASP 100 9.554 4.154 -18.223 807 2HB ASP 100 1HB ASP 100 10.003 4.550 -16.586 808 H GLY 101 H GLY 101 10.824 0.514 -15.883 809 1HA GLY 101 2HA GLY 101 13.091 0.613 -14.388 810 2HA GLY 101 1HA GLY 101 11.993 1.747 -13.493 811 H LEU 102 H LEU 102 9.580 0.379 -14.155 812 HA LEU 102 HA LEU 102 9.591 -1.536 -12.032 813 1HB LEU 102 2HB LEU 102 7.384 -0.852 -14.058 814 2HB LEU 102 1HB LEU 102 7.174 -1.771 -12.609 815 HG LEU 102 HG LEU 102 7.471 1.180 -12.965 816 1HD1 LEU 102 2HD1 LEU 102 5.912 -0.583 -11.040 817 2HD1 LEU 102 1HD1 LEU 102 5.756 1.159 -11.131 818 3HD1 LEU 102 3HD1 LEU 102 5.291 0.173 -12.518 819 1HD2 LEU 102 1HD2 LEU 102 8.628 -0.245 -10.538 820 2HD2 LEU 102 3HD2 LEU 102 9.314 1.101 -11.446 821 3HD2 LEU 102 2HD2 LEU 102 7.926 1.335 -10.392 822 H CYS 103 H CYS 103 9.829 -3.452 -12.103 823 HA CYS 103 HA CYS 103 11.081 -5.099 -13.795 824 1HB CYS 103 2HB CYS 103 9.961 -7.063 -12.640 825 2HB CYS 103 1HB CYS 103 10.566 -5.848 -11.551 826 HG CYS 103 HG CYS 103 7.970 -6.946 -10.763 827 H GLN 104 H GLN 104 7.586 -4.736 -13.745 828 HA GLN 104 HA GLN 104 7.312 -5.393 -16.551 829 1HB GLN 104 2HB GLN 104 5.882 -7.099 -14.394 830 2HB GLN 104 1HB GLN 104 5.495 -7.128 -16.098 831 1HG GLN 104 2HG GLN 104 7.896 -7.939 -16.550 832 2HG GLN 104 1HG GLN 104 8.109 -8.074 -14.812 833 1HE2 GLN 104 2HE2 GLN 104 6.006 -10.839 -16.943 834 2HE2 GLN 104 1HE2 GLN 104 6.642 -9.404 -17.663 835 H LYS 105 H LYS 105 6.620 -3.590 -16.945 836 HA LYS 105 HA LYS 105 5.138 -1.859 -15.462 837 1HB LYS 105 2HB LYS 105 5.177 -0.504 -17.286 838 2HB LYS 105 1HB LYS 105 6.465 -1.653 -17.647 839 1HG LYS 105 2HG LYS 105 3.669 -1.812 -18.862 840 2HG LYS 105 1HG LYS 105 5.031 -0.980 -19.536 841 1HD LYS 105 2HD LYS 105 6.317 -3.283 -19.154 842 2HD LYS 105 1HD LYS 105 4.686 -3.957 -19.199 843 1HE LYS 105 1HE LYS 105 4.302 -2.754 -21.353 844 2HE LYS 105 2HE LYS 105 5.976 -2.126 -21.231 845 1HZ LYS 105 3HZ LYS 105 6.762 -4.379 -21.308 846 2HZ LYS 105 2HZ LYS 105 5.179 -4.970 -21.376 847 3HZ LYS 105 1HZ LYS 105 5.799 -4.063 -22.678 848 H LEU 106 H LEU 106 3.069 -0.954 -16.442 849 HA LEU 106 HA LEU 106 1.169 -2.853 -15.492 850 1HB LEU 106 2HB LEU 106 0.117 -0.292 -16.713 851 2HB LEU 106 1HB LEU 106 -0.440 -1.152 -15.323 852 HG LEU 106 HG LEU 106 2.112 0.463 -15.545 853 1HD1 LEU 106 3HD1 LEU 106 -0.526 1.010 -14.327 854 2HD1 LEU 106 2HD1 LEU 106 0.855 1.414 -13.304 855 3HD1 LEU 106 1HD1 LEU 106 0.760 2.135 -14.872 856 1HD2 LEU 106 1HD2 LEU 106 2.450 -1.618 -14.095 857 2HD2 LEU 106 3HD2 LEU 106 2.618 -0.070 -13.299 858 3HD2 LEU 106 2HD2 LEU 106 1.133 -1.025 -13.118 859 H THR 107 H THR 107 -0.783 -3.440 -16.325 860 HA THR 107 HA THR 107 -1.015 -3.586 -19.267 861 HB THR 107 HB THR 107 -1.391 -5.874 -19.371 862 HG1 THR 107 HG1 THR 107 -1.813 -6.207 -16.476 863 1HG2 THR 107 1HG2 THR 107 0.890 -5.286 -19.470 864 2HG2 THR 107 3HG2 THR 107 1.157 -5.375 -17.772 865 3HG2 THR 107 2HG2 THR 107 0.799 -6.849 -18.662 866 H LEU 108 H LEU 108 -2.586 -5.017 -16.448 867 HA LEU 108 HA LEU 108 -4.961 -3.311 -17.030 868 1HB LEU 108 2HB LEU 108 -5.241 -6.276 -16.545 869 2HB LEU 108 1HB LEU 108 -6.492 -5.195 -16.989 870 HG LEU 108 HG LEU 108 -4.173 -5.731 -18.872 871 1HD1 LEU 108 2HD1 LEU 108 -5.091 -7.882 -18.310 872 2HD1 LEU 108 1HD1 LEU 108 -6.722 -7.336 -18.712 873 3HD1 LEU 108 3HD1 LEU 108 -5.486 -7.444 -19.971 874 1HD2 LEU 108 3HD2 LEU 108 -5.679 -3.728 -19.275 875 2HD2 LEU 108 2HD2 LEU 108 -5.722 -4.915 -20.579 876 3HD2 LEU 108 1HD2 LEU 108 -7.039 -4.829 -19.406 877 HA PRO 109 HA PRO 109 -4.475 -3.104 -12.498 878 1HB PRO 109 2HB PRO 109 -7.297 -2.036 -12.751 879 2HB PRO 109 1HB PRO 109 -5.947 -1.356 -11.831 880 1HG PRO 109 2HG PRO 109 -6.636 -0.237 -14.211 881 2HG PRO 109 1HG PRO 109 -4.943 -0.438 -13.778 882 1HD PRO 109 1HD PRO 109 -6.505 -2.202 -15.716 883 2HD PRO 109 2HD PRO 109 -4.829 -1.626 -15.791 884 H CYS 110 H CYS 110 -5.142 -4.344 -10.795 885 HA CYS 110 HA CYS 110 -6.202 -6.826 -11.348 886 1HB CYS 110 2HB CYS 110 -4.886 -6.440 -9.411 887 2HB CYS 110 1HB CYS 110 -5.993 -5.316 -8.712 888 HG CYS 110 HG CYS 110 -5.901 -7.911 -7.365 889 H VAL 111 H VAL 111 -8.116 -7.915 -11.107 890 HA VAL 111 HA VAL 111 -10.498 -6.268 -11.497 891 HB VAL 111 HB VAL 111 -11.680 -8.376 -11.841 892 1HG1 VAL 111 3HG1 VAL 111 -10.500 -7.356 -13.744 893 2HG1 VAL 111 2HG1 VAL 111 -9.055 -8.293 -13.386 894 3HG1 VAL 111 1HG1 VAL 111 -10.530 -9.109 -13.885 895 1HG2 VAL 111 2HG2 VAL 111 -10.494 -9.850 -10.197 896 2HG2 VAL 111 1HG2 VAL 111 -10.529 -10.558 -11.800 897 3HG2 VAL 111 3HG2 VAL 111 -9.050 -9.807 -11.204 898 H ASN 112 H ASN 112 -12.460 -6.683 -10.294 899 HA ASN 112 HA ASN 112 -11.928 -6.343 -7.490 900 1HB ASN 112 2HB ASN 112 -14.615 -6.608 -8.940 901 2HB ASN 112 1HB ASN 112 -14.402 -6.013 -7.297 902 1HD2 ASN 112 2HD2 ASN 112 -14.362 -3.372 -10.164 903 2HD2 ASN 112 1HD2 ASN 112 -15.212 -4.875 -10.089 904 H LEU 113 H LEU 113 -11.618 -7.740 -6.074 905 HA LEU 113 HA LEU 113 -11.854 -10.529 -6.508 906 1HB LEU 113 2HB LEU 113 -10.067 -9.352 -5.187 907 2HB LEU 113 1HB LEU 113 -11.218 -8.944 -3.963 908 HG LEU 113 HG LEU 113 -11.590 -11.484 -3.638 909 1HD1 LEU 113 3HD1 LEU 113 -9.053 -11.654 -5.329 910 2HD1 LEU 113 2HD1 LEU 113 -9.770 -12.980 -4.416 911 3HD1 LEU 113 1HD1 LEU 113 -10.636 -12.288 -5.777 912 1HD2 LEU 113 1HD2 LEU 113 -10.250 -10.097 -2.066 913 2HD2 LEU 113 3HD2 LEU 113 -9.568 -11.713 -2.224 914 3HD2 LEU 113 2HD2 LEU 113 -8.812 -10.355 -3.051 915 H ALA 114 HN ALA 114 -12.926 -9.469 -3.344 916 HA ALA 114 HA ALA 114 -15.305 -11.122 -3.605 917 1HB ALA 114 2HB ALA 114 -13.904 -11.192 -1.542 918 2HB ALA 114 1HB ALA 114 -14.210 -9.485 -1.244 919 3HB ALA 114 3HB ALA 114 -15.530 -10.650 -1.142 No H/Q in entry = 919
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