NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16434 | 2a37 | 5923 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 1.125 -9.819 -3.048 2 2H MET 1 2H MET 1 0.842 -10.986 -4.274 3 3H MET 1 3H MET 1 -0.037 -11.058 -2.805 4 HA MET 1 HA MET 1 -0.172 -8.794 -4.658 5 1HB MET 1 1HB MET 1 -1.908 -11.262 -4.370 6 2HB MET 1 2HB MET 1 -2.408 -9.830 -5.254 7 1HG MET 1 1HG MET 1 -0.985 -10.226 -6.999 8 2HG MET 1 2HG MET 1 0.149 -11.148 -6.015 9 1HE MET 1 1HE MET 1 -2.590 -13.664 -4.943 10 2HE MET 1 2HE MET 1 -1.001 -13.003 -4.559 11 3HE MET 1 3HE MET 1 -1.134 -14.462 -5.541 12 H GLU 2 H GLU 2 -0.647 -10.008 -1.580 13 HA GLU 2 HA GLU 2 -2.543 -7.845 -1.042 14 1HB GLU 2 1HB GLU 2 -2.530 -10.631 0.020 15 2HB GLU 2 2HB GLU 2 -3.050 -9.340 1.092 16 1HG GLU 2 1HG GLU 2 -4.972 -8.992 -0.035 17 2HG GLU 2 2HG GLU 2 -4.260 -9.387 -1.599 18 H ALA 3 H ALA 3 -2.131 -6.603 0.850 19 HA ALA 3 HA ALA 3 0.143 -7.363 2.516 20 1HB ALA 3 1HB ALA 3 0.585 -5.661 0.417 21 2HB ALA 3 2HB ALA 3 1.576 -5.785 1.869 22 3HB ALA 3 3HB ALA 3 0.313 -4.555 1.764 23 H ILE 4 H ILE 4 0.446 -6.002 4.346 24 HA ILE 4 HA ILE 4 -2.043 -4.692 5.199 25 HB ILE 4 HB ILE 4 -1.892 -6.925 6.212 26 1HG1 ILE 4 1HG1 ILE 4 -2.800 -4.765 7.371 27 2HG1 ILE 4 2HG1 ILE 4 -2.667 -6.268 8.276 28 1HG2 ILE 4 1HG2 ILE 4 0.206 -7.619 6.584 29 2HG2 ILE 4 2HG2 ILE 4 -0.067 -6.909 8.175 30 3HG2 ILE 4 3HG2 ILE 4 0.804 -6.000 6.940 31 1HD1 ILE 4 1HD1 ILE 4 -1.488 -5.185 9.788 32 2HD1 ILE 4 2HD1 ILE 4 -1.487 -3.734 8.791 33 3HD1 ILE 4 3HD1 ILE 4 -0.215 -4.936 8.592 34 H ALA 5 H ALA 5 -1.865 -2.837 6.339 35 HA ALA 5 HA ALA 5 0.605 -1.416 6.289 36 1HB ALA 5 1HB ALA 5 -0.620 0.433 6.821 37 2HB ALA 5 2HB ALA 5 -1.703 -0.456 7.893 38 3HB ALA 5 3HB ALA 5 -1.883 -0.595 6.142 39 H LYS 6 H LYS 6 2.187 -1.445 7.733 40 HA LYS 6 HA LYS 6 1.705 -2.588 10.390 41 1HB LYS 6 1HB LYS 6 3.951 -2.460 8.655 42 2HB LYS 6 2HB LYS 6 4.368 -1.557 10.106 43 1HG LYS 6 1HG LYS 6 3.104 -4.225 10.422 44 2HG LYS 6 2HG LYS 6 4.792 -4.146 9.915 45 1HD LYS 6 1HD LYS 6 5.257 -4.018 12.104 46 2HD LYS 6 2HD LYS 6 4.711 -2.344 11.982 47 1HE LYS 6 1HE LYS 6 2.729 -2.772 13.014 48 2HE LYS 6 2HE LYS 6 2.641 -4.423 12.403 49 1HZ LYS 6 1HZ LYS 6 4.520 -4.918 13.990 50 2HZ LYS 6 2HZ LYS 6 3.017 -4.601 14.698 51 3HZ LYS 6 3HZ LYS 6 4.217 -3.409 14.694 52 H HIS 7 H HIS 7 1.736 0.419 8.902 53 HA HIS 7 HA HIS 7 1.304 1.757 11.419 54 1HB HIS 7 1HB HIS 7 3.556 2.651 9.625 55 2HB HIS 7 2HB HIS 7 3.012 3.481 11.074 56 HD1 HIS 7 HD1 HIS 7 3.270 1.906 13.342 57 HD2 HIS 7 HD2 HIS 7 5.616 0.964 10.043 58 HE1 HIS 7 HE1 HIS 7 5.153 0.495 14.234 59 HE2 HIS 7 HE2 HIS 7 6.597 -0.004 12.231 60 H ASP 8 H ASP 8 1.088 4.178 10.923 61 HA ASP 8 HA ASP 8 -1.066 4.365 9.028 62 1HB ASP 8 1HB ASP 8 -1.458 5.435 11.102 63 2HB ASP 8 2HB ASP 8 0.115 6.222 11.085 64 H PHE 9 H PHE 9 -1.157 5.672 7.150 65 HA PHE 9 HA PHE 9 1.330 7.055 6.478 66 1HB PHE 9 1HB PHE 9 1.810 5.185 5.258 67 2HB PHE 9 2HB PHE 9 0.112 4.790 5.001 68 HD1 PHE 9 HD1 PHE 9 2.327 7.683 4.179 69 HD2 PHE 9 HD2 PHE 9 -0.490 4.800 2.853 70 HE1 PHE 9 HE1 PHE 9 2.468 8.601 1.900 71 HE2 PHE 9 HE2 PHE 9 -0.362 5.693 0.574 72 HZ PHE 9 HZ PHE 9 1.120 7.581 0.111 73 H SER 10 H SER 10 1.097 8.927 5.522 74 HA SER 10 HA SER 10 -1.389 9.558 4.064 75 1HB SER 10 1HB SER 10 -0.298 11.969 5.016 76 2HB SER 10 2HB SER 10 -1.760 11.177 5.605 77 HG SER 10 HG SER 10 -0.500 10.097 7.138 78 H ALA 11 H ALA 11 -1.160 10.266 2.092 79 HA ALA 11 HA ALA 11 1.108 9.877 0.610 80 1HB ALA 11 1HB ALA 11 -0.183 11.606 -0.935 81 2HB ALA 11 2HB ALA 11 -1.463 11.263 0.228 82 3HB ALA 11 3HB ALA 11 -0.731 9.948 -0.687 83 H THR 12 H THR 12 2.777 10.967 -0.020 84 HA THR 12 HA THR 12 3.136 13.700 0.968 85 HB THR 12 HB THR 12 5.073 11.398 0.565 86 HG1 THR 12 HG1 THR 12 5.050 13.051 2.814 87 1HG2 THR 12 1HG2 THR 12 6.076 14.100 1.401 88 2HG2 THR 12 2HG2 THR 12 6.021 13.662 -0.304 89 3HG2 THR 12 3HG2 THR 12 6.966 12.692 0.821 90 H ALA 13 H ALA 13 2.108 12.321 -1.648 91 HA ALA 13 HA ALA 13 3.031 14.499 -3.339 92 1HB ALA 13 1HB ALA 13 3.128 11.993 -4.806 93 2HB ALA 13 2HB ALA 13 4.299 12.033 -3.489 94 3HB ALA 13 3HB ALA 13 4.317 13.295 -4.721 95 H ASP 14 H ASP 14 1.854 14.551 -5.359 96 HA ASP 14 HA ASP 14 -0.893 14.496 -4.879 97 1HB ASP 14 1HB ASP 14 0.701 15.761 -6.668 98 2HB ASP 14 2HB ASP 14 -0.084 14.584 -7.715 99 H ASP 15 H ASP 15 1.136 12.217 -6.539 100 HA ASP 15 HA ASP 15 -1.129 10.687 -7.543 101 1HB ASP 15 1HB ASP 15 1.641 11.073 -8.215 102 2HB ASP 15 2HB ASP 15 1.278 9.355 -8.079 103 H GLU 16 H GLU 16 -0.327 10.815 -4.602 104 HA GLU 16 HA GLU 16 0.283 7.992 -4.106 105 1HB GLU 16 1HB GLU 16 1.818 9.775 -3.301 106 2HB GLU 16 2HB GLU 16 0.516 10.395 -2.306 107 1HG GLU 16 1HG GLU 16 0.630 8.674 -0.831 108 2HG GLU 16 2HG GLU 16 1.302 7.557 -2.008 109 H LEU 17 H LEU 17 -0.656 7.077 -2.089 110 HA LEU 17 HA LEU 17 -3.463 7.925 -1.742 111 1HB LEU 17 1HB LEU 17 -2.244 5.273 -2.179 112 2HB LEU 17 2HB LEU 17 -3.504 5.325 -0.987 113 HG LEU 17 HG LEU 17 -3.727 6.087 -3.876 114 1HD1 LEU 17 1HD1 LEU 17 -3.778 3.727 -3.591 115 2HD1 LEU 17 2HD1 LEU 17 -5.426 4.275 -3.902 116 3HD1 LEU 17 3HD1 LEU 17 -4.929 3.862 -2.263 117 1HD2 LEU 17 1HD2 LEU 17 -5.175 7.266 -1.833 118 2HD2 LEU 17 2HD2 LEU 17 -6.244 6.010 -2.460 119 3HD2 LEU 17 3HD2 LEU 17 -5.590 7.236 -3.547 120 H SER 18 H SER 18 -3.978 6.098 0.515 121 HA SER 18 HA SER 18 -2.051 6.728 2.553 122 1HB SER 18 1HB SER 18 -4.756 7.654 3.294 123 2HB SER 18 2HB SER 18 -3.179 8.338 3.687 124 HG SER 18 HG SER 18 -4.484 8.565 1.172 125 H PHE 19 H PHE 19 -2.554 5.579 4.551 126 HA PHE 19 HA PHE 19 -4.868 3.898 4.726 127 1HB PHE 19 1HB PHE 19 -3.676 1.723 4.614 128 2HB PHE 19 2HB PHE 19 -3.681 2.583 3.078 129 HD1 PHE 19 HD1 PHE 19 -1.545 2.271 6.136 130 HD2 PHE 19 HD2 PHE 19 -1.737 2.643 1.901 131 HE1 PHE 19 HE1 PHE 19 0.908 2.099 6.017 132 HE2 PHE 19 HE2 PHE 19 0.709 2.466 1.783 133 HZ PHE 19 HZ PHE 19 2.041 2.203 3.827 134 H ARG 20 H ARG 20 -4.846 2.454 6.638 135 HA ARG 20 HA ARG 20 -3.144 3.594 8.754 136 1HB ARG 20 1HB ARG 20 -5.912 3.593 8.515 137 2HB ARG 20 2HB ARG 20 -5.594 2.307 9.669 138 1HG ARG 20 1HG ARG 20 -4.241 3.929 10.992 139 2HG ARG 20 2HG ARG 20 -4.780 5.195 9.885 140 1HD ARG 20 1HD ARG 20 -6.394 5.424 11.469 141 2HD ARG 20 2HD ARG 20 -7.157 4.165 10.498 142 HE ARG 20 HE ARG 20 -5.522 3.031 12.517 143 1HH1 ARG 20 1HH1 ARG 20 -8.593 4.610 12.019 144 2HH1 ARG 20 2HH1 ARG 20 -9.343 3.861 13.388 145 1HH2 ARG 20 1HH2 ARG 20 -6.507 2.043 14.320 146 2HH2 ARG 20 2HH2 ARG 20 -8.158 2.404 14.696 147 H LYS 21 H LYS 21 -2.583 2.228 10.532 148 HA LYS 21 HA LYS 21 -1.526 -0.273 9.879 149 1HB LYS 21 1HB LYS 21 -0.495 0.052 11.816 150 2HB LYS 21 2HB LYS 21 -1.492 1.473 12.077 151 1HG LYS 21 1HG LYS 21 -2.585 -1.192 12.845 152 2HG LYS 21 2HG LYS 21 -1.350 -0.445 13.857 153 1HD LYS 21 1HD LYS 21 -2.906 1.661 13.657 154 2HD LYS 21 2HD LYS 21 -4.136 0.454 13.282 155 1HE LYS 21 1HE LYS 21 -4.398 0.183 15.477 156 2HE LYS 21 2HE LYS 21 -2.811 -0.584 15.491 157 1HZ LYS 21 1HZ LYS 21 -2.028 1.898 15.644 158 2HZ LYS 21 2HZ LYS 21 -2.498 1.046 17.028 159 3HZ LYS 21 3HZ LYS 21 -3.574 2.126 16.295 160 H GLY 22 H GLY 22 -2.265 -2.278 9.882 161 1HA GLY 22 1HA GLY 22 -3.594 -4.076 10.590 162 2HA GLY 22 2HA GLY 22 -4.766 -2.939 11.232 163 H GLN 23 H GLN 23 -4.419 -1.562 8.391 164 HA GLN 23 HA GLN 23 -6.718 -2.900 7.306 165 1HB GLN 23 1HB GLN 23 -5.977 -0.347 7.197 166 2HB GLN 23 2HB GLN 23 -5.260 -0.884 5.686 167 1HG GLN 23 1HG GLN 23 -7.382 -0.075 5.124 168 2HG GLN 23 2HG GLN 23 -7.534 -1.831 5.103 169 1HE2 GLN 23 1HE2 GLN 23 -9.025 -2.768 6.352 170 2HE2 GLN 23 2HE2 GLN 23 -10.008 -1.946 7.510 171 H ILE 24 H ILE 24 -6.925 -3.626 5.067 172 HA ILE 24 HA ILE 24 -4.439 -4.900 4.155 173 HB ILE 24 HB ILE 24 -7.288 -5.746 3.614 174 1HG1 ILE 24 1HG1 ILE 24 -5.157 -7.027 5.343 175 2HG1 ILE 24 2HG1 ILE 24 -6.506 -6.078 5.959 176 1HG2 ILE 24 1HG2 ILE 24 -5.995 -7.866 2.850 177 2HG2 ILE 24 2HG2 ILE 24 -4.632 -6.761 2.678 178 3HG2 ILE 24 3HG2 ILE 24 -6.109 -6.487 1.756 179 1HD1 ILE 24 1HD1 ILE 24 -6.817 -8.533 6.108 180 2HD1 ILE 24 2HD1 ILE 24 -6.815 -8.593 4.345 181 3HD1 ILE 24 3HD1 ILE 24 -8.077 -7.702 5.196 182 H LEU 25 H LEU 25 -3.535 -3.757 2.630 183 HA LEU 25 HA LEU 25 -5.138 -2.321 0.655 184 1HB LEU 25 1HB LEU 25 -2.885 -1.419 -0.034 185 2HB LEU 25 2HB LEU 25 -3.430 -0.991 1.575 186 HG LEU 25 HG LEU 25 -1.916 -3.326 1.916 187 1HD1 LEU 25 1HD1 LEU 25 0.199 -2.835 0.863 188 2HD1 LEU 25 2HD1 LEU 25 -0.481 -1.391 0.110 189 3HD1 LEU 25 3HD1 LEU 25 -1.061 -2.988 -0.362 190 1HD2 LEU 25 1HD2 LEU 25 -1.931 -0.581 2.779 191 2HD2 LEU 25 2HD2 LEU 25 -0.278 -1.143 2.530 192 3HD2 LEU 25 3HD2 LEU 25 -1.352 -2.019 3.622 193 H LYS 26 H LYS 26 -5.105 -2.824 -1.537 194 HA LYS 26 HA LYS 26 -4.059 -5.457 -2.197 195 1HB LYS 26 1HB LYS 26 -6.416 -4.674 -2.685 196 2HB LYS 26 2HB LYS 26 -5.730 -3.639 -3.925 197 1HG LYS 26 1HG LYS 26 -5.821 -5.313 -5.361 198 2HG LYS 26 2HG LYS 26 -4.725 -6.250 -4.343 199 1HD LYS 26 1HD LYS 26 -6.560 -7.640 -4.465 200 2HD LYS 26 2HD LYS 26 -6.876 -6.766 -2.968 201 1HE LYS 26 1HE LYS 26 -7.998 -5.912 -5.631 202 2HE LYS 26 2HE LYS 26 -8.823 -7.047 -4.571 203 1HZ LYS 26 1HZ LYS 26 -7.989 -4.453 -3.468 204 2HZ LYS 26 2HZ LYS 26 -9.307 -5.428 -3.051 205 3HZ LYS 26 3HZ LYS 26 -9.349 -4.507 -4.469 206 H ILE 27 H ILE 27 -2.230 -5.749 -3.278 207 HA ILE 27 HA ILE 27 -0.831 -3.492 -4.434 208 HB ILE 27 HB ILE 27 0.164 -6.279 -4.773 209 1HG1 ILE 27 1HG1 ILE 27 -0.642 -6.316 -2.476 210 2HG1 ILE 27 2HG1 ILE 27 1.119 -6.217 -2.481 211 1HG2 ILE 27 1HG2 ILE 27 1.254 -3.533 -4.498 212 2HG2 ILE 27 2HG2 ILE 27 1.713 -4.829 -5.602 213 3HG2 ILE 27 3HG2 ILE 27 2.247 -4.871 -3.922 214 1HD1 ILE 27 1HD1 ILE 27 1.033 -3.862 -2.016 215 2HD1 ILE 27 2HD1 ILE 27 0.071 -4.734 -0.823 216 3HD1 ILE 27 3HD1 ILE 27 -0.729 -3.871 -2.135 217 H LEU 28 H LEU 28 -0.621 -3.029 -6.495 218 HA LEU 28 HA LEU 28 -1.594 -4.960 -8.514 219 1HB LEU 28 1HB LEU 28 -1.915 -1.992 -8.796 220 2HB LEU 28 2HB LEU 28 -2.668 -3.264 -9.742 221 HG LEU 28 HG LEU 28 -3.463 -3.634 -7.043 222 1HD1 LEU 28 1HD1 LEU 28 -2.933 -1.416 -6.486 223 2HD1 LEU 28 2HD1 LEU 28 -4.663 -1.429 -6.803 224 3HD1 LEU 28 3HD1 LEU 28 -3.558 -0.810 -8.017 225 1HD2 LEU 28 1HD2 LEU 28 -5.439 -3.966 -8.029 226 2HD2 LEU 28 2HD2 LEU 28 -4.587 -3.739 -9.556 227 3HD2 LEU 28 3HD2 LEU 28 -5.421 -2.381 -8.801 228 H ASN 29 H ASN 29 0.431 -2.185 -7.765 229 HA ASN 29 HA ASN 29 2.443 -3.195 -9.596 230 1HB ASN 29 1HB ASN 29 1.452 -1.887 -11.192 231 2HB ASN 29 2HB ASN 29 0.917 -0.677 -10.031 232 1HD2 ASN 29 1HD2 ASN 29 1.845 1.169 -10.365 233 2HD2 ASN 29 2HD2 ASN 29 3.482 1.433 -10.837 234 H MET 30 H MET 30 4.358 -3.060 -8.645 235 HA MET 30 HA MET 30 4.659 -1.390 -6.275 236 1HB MET 30 1HB MET 30 6.730 -2.692 -5.912 237 2HB MET 30 2HB MET 30 5.299 -3.703 -6.032 238 1HG MET 30 1HG MET 30 6.261 -3.556 -8.628 239 2HG MET 30 2HG MET 30 7.707 -3.684 -7.629 240 1HE MET 30 1HE MET 30 6.914 -6.940 -5.569 241 2HE MET 30 2HE MET 30 6.961 -5.212 -5.225 242 3HE MET 30 3HE MET 30 8.280 -5.970 -6.117 243 H GLU 31 H GLU 31 5.034 -0.771 -9.388 244 HA GLU 31 HA GLU 31 6.007 0.945 -10.457 245 1HB GLU 31 1HB GLU 31 6.165 1.964 -8.128 246 2HB GLU 31 2HB GLU 31 7.822 1.379 -8.094 247 1HG GLU 31 1HG GLU 31 8.436 3.242 -9.097 248 2HG GLU 31 2HG GLU 31 7.563 2.708 -10.532 249 H ASP 32 H ASP 32 9.022 1.258 -9.509 250 HA ASP 32 HA ASP 32 9.997 -0.839 -11.250 251 1HB ASP 32 1HB ASP 32 11.020 1.943 -10.818 252 2HB ASP 32 2HB ASP 32 12.138 0.681 -11.339 253 H ASP 33 H ASP 33 9.515 -0.738 -8.189 254 HA ASP 33 HA ASP 33 10.338 -2.127 -6.589 255 1HB ASP 33 1HB ASP 33 11.814 -2.953 -8.853 256 2HB ASP 33 2HB ASP 33 12.986 -2.722 -7.563 257 H SER 34 H SER 34 10.332 0.100 -5.730 258 HA SER 34 HA SER 34 12.938 0.689 -4.644 259 1HB SER 34 1HB SER 34 11.838 2.170 -6.853 260 2HB SER 34 2HB SER 34 12.044 3.241 -5.474 261 HG SER 34 HG SER 34 14.213 1.670 -5.737 262 H ASN 35 H ASN 35 11.833 3.429 -4.005 263 HA ASN 35 HA ASN 35 10.841 2.690 -1.400 264 1HB ASN 35 1HB ASN 35 11.798 5.183 -2.648 265 2HB ASN 35 2HB ASN 35 10.721 5.336 -1.263 266 1HD2 ASN 35 1HD2 ASN 35 11.766 5.566 0.557 267 2HD2 ASN 35 2HD2 ASN 35 13.277 4.841 0.973 268 H TRP 36 H TRP 36 9.232 3.898 -4.284 269 HA TRP 36 HA TRP 36 6.831 4.270 -2.633 270 1HB TRP 36 1HB TRP 36 7.430 5.316 -5.414 271 2HB TRP 36 2HB TRP 36 5.938 5.601 -4.526 272 HD1 TRP 36 HD1 TRP 36 9.012 7.322 -5.298 273 HE1 TRP 36 HE1 TRP 36 9.549 9.159 -3.576 274 HE3 TRP 36 HE3 TRP 36 5.780 5.929 -1.590 275 HZ2 TRP 36 HZ2 TRP 36 8.708 9.909 -0.976 276 HZ3 TRP 36 HZ3 TRP 36 5.705 7.266 0.469 277 HH2 TRP 36 HH2 TRP 36 7.142 9.212 0.772 278 H TYR 37 H TYR 37 5.109 2.971 -2.920 279 HA TYR 37 HA TYR 37 5.150 0.947 -5.070 280 1HB TYR 37 1HB TYR 37 4.384 0.883 -2.188 281 2HB TYR 37 2HB TYR 37 3.459 -0.122 -3.289 282 HD1 TYR 37 HD1 TYR 37 4.646 -1.522 -1.234 283 HD2 TYR 37 HD2 TYR 37 6.534 -0.142 -4.788 284 HE1 TYR 37 HE1 TYR 37 6.338 -3.288 -1.014 285 HE2 TYR 37 HE2 TYR 37 8.228 -1.904 -4.578 286 HH TYR 37 HH TYR 37 7.962 -4.526 -2.991 287 H ARG 38 H ARG 38 2.828 0.062 -5.481 288 HA ARG 38 HA ARG 38 0.871 2.251 -5.383 289 1HB ARG 38 1HB ARG 38 2.139 1.784 -7.671 290 2HB ARG 38 2HB ARG 38 0.909 0.537 -7.812 291 1HG ARG 38 1HG ARG 38 -0.737 2.010 -8.178 292 2HG ARG 38 2HG ARG 38 -0.089 3.185 -7.031 293 1HD ARG 38 1HD ARG 38 1.749 3.565 -8.795 294 2HD ARG 38 2HD ARG 38 0.654 2.734 -9.899 295 HE ARG 38 HE ARG 38 -0.421 4.995 -8.411 296 1HH1 ARG 38 1HH1 ARG 38 0.852 3.774 -11.434 297 2HH1 ARG 38 2HH1 ARG 38 0.183 5.066 -12.373 298 1HH2 ARG 38 1HH2 ARG 38 -1.284 6.694 -9.653 299 2HH2 ARG 38 2HH2 ARG 38 -1.023 6.722 -11.365 300 H ALA 39 H ALA 39 -1.027 1.652 -4.555 301 HA ALA 39 HA ALA 39 -1.908 -1.130 -4.903 302 1HB ALA 39 1HB ALA 39 -1.822 -1.638 -2.751 303 2HB ALA 39 2HB ALA 39 -2.710 -0.179 -2.311 304 3HB ALA 39 3HB ALA 39 -0.956 -0.125 -2.483 305 H GLU 40 H GLU 40 -4.234 -1.349 -3.938 306 HA GLU 40 HA GLU 40 -5.878 0.943 -4.819 307 1HB GLU 40 1HB GLU 40 -5.871 -1.220 -6.268 308 2HB GLU 40 2HB GLU 40 -6.798 -1.921 -4.955 309 1HG GLU 40 1HG GLU 40 -8.153 0.397 -5.450 310 2HG GLU 40 2HG GLU 40 -7.609 -0.079 -7.061 311 H LEU 41 H LEU 41 -7.298 1.676 -3.372 312 HA LEU 41 HA LEU 41 -8.249 -0.079 -1.252 313 1HB LEU 41 1HB LEU 41 -6.177 1.409 -0.611 314 2HB LEU 41 2HB LEU 41 -7.362 2.694 -0.544 315 HG LEU 41 HG LEU 41 -7.665 2.146 1.592 316 1HD1 LEU 41 1HD1 LEU 41 -9.021 0.106 2.092 317 2HD1 LEU 41 2HD1 LEU 41 -8.891 -0.325 0.391 318 3HD1 LEU 41 3HD1 LEU 41 -9.700 1.170 0.860 319 1HD2 LEU 41 1HD2 LEU 41 -6.832 -0.531 1.972 320 2HD2 LEU 41 2HD2 LEU 41 -6.020 0.953 2.470 321 3HD2 LEU 41 3HD2 LEU 41 -5.668 0.242 0.895 322 H ASP 42 H ASP 42 -10.383 0.182 -0.957 323 HA ASP 42 HA ASP 42 -12.516 0.945 -1.241 324 1HB ASP 42 1HB ASP 42 -11.188 3.663 -1.142 325 2HB ASP 42 2HB ASP 42 -12.917 3.366 -0.988 326 H GLY 43 H GLY 43 -11.056 0.228 -3.580 327 1HA GLY 43 1HA GLY 43 -11.399 0.269 -5.860 328 2HA GLY 43 2HA GLY 43 -12.754 1.348 -5.568 329 H LYS 44 H LYS 44 -9.699 2.314 -4.328 330 HA LYS 44 HA LYS 44 -9.385 4.263 -6.527 331 1HB LYS 44 1HB LYS 44 -9.508 4.543 -3.607 332 2HB LYS 44 2HB LYS 44 -8.130 5.358 -4.333 333 1HG LYS 44 1HG LYS 44 -10.045 6.847 -4.108 334 2HG LYS 44 2HG LYS 44 -9.612 6.602 -5.802 335 1HD LYS 44 1HD LYS 44 -11.383 4.729 -5.745 336 2HD LYS 44 2HD LYS 44 -11.954 5.521 -4.276 337 1HE LYS 44 1HE LYS 44 -11.759 6.693 -7.043 338 2HE LYS 44 2HE LYS 44 -13.224 6.357 -6.122 339 1HZ LYS 44 1HZ LYS 44 -12.438 8.740 -6.186 340 2HZ LYS 44 2HZ LYS 44 -11.174 8.267 -5.168 341 3HZ LYS 44 3HZ LYS 44 -12.777 8.106 -4.654 342 H GLU 45 H GLU 45 -7.320 4.573 -7.322 343 HA GLU 45 HA GLU 45 -5.233 2.800 -6.238 344 1HB GLU 45 1HB GLU 45 -5.873 2.396 -8.622 345 2HB GLU 45 2HB GLU 45 -5.388 4.042 -8.998 346 1HG GLU 45 1HG GLU 45 -3.317 3.368 -9.349 347 2HG GLU 45 2HG GLU 45 -3.211 2.785 -7.692 348 H GLY 46 H GLY 46 -3.124 3.546 -6.058 349 1HA GLY 46 1HA GLY 46 -2.133 6.098 -6.495 350 2HA GLY 46 2HA GLY 46 -2.906 6.135 -4.917 351 H LEU 47 H LEU 47 -0.168 6.489 -5.453 352 HA LEU 47 HA LEU 47 1.262 4.127 -4.826 353 1HB LEU 47 1HB LEU 47 3.134 5.304 -5.234 354 2HB LEU 47 2HB LEU 47 1.980 6.330 -6.056 355 HG LEU 47 HG LEU 47 1.957 7.460 -3.619 356 1HD1 LEU 47 1HD1 LEU 47 3.622 6.736 -2.349 357 2HD1 LEU 47 2HD1 LEU 47 4.739 7.476 -3.502 358 3HD1 LEU 47 3HD1 LEU 47 4.288 5.778 -3.669 359 1HD2 LEU 47 1HD2 LEU 47 3.975 8.855 -4.748 360 2HD2 LEU 47 2HD2 LEU 47 2.284 9.013 -5.222 361 3HD2 LEU 47 3HD2 LEU 47 3.364 7.974 -6.150 362 H ILE 48 H ILE 48 2.674 3.871 -3.011 363 HA ILE 48 HA ILE 48 1.869 5.178 -0.502 364 HB ILE 48 HB ILE 48 1.795 2.943 0.627 365 1HG1 ILE 48 1HG1 ILE 48 1.357 1.742 -2.091 366 2HG1 ILE 48 2HG1 ILE 48 2.978 1.855 -1.416 367 1HG2 ILE 48 1HG2 ILE 48 -0.364 3.539 0.487 368 2HG2 ILE 48 2HG2 ILE 48 -0.462 2.372 -0.837 369 3HG2 ILE 48 3HG2 ILE 48 -0.195 4.082 -1.182 370 1HD1 ILE 48 1HD1 ILE 48 1.038 -0.130 -0.970 371 2HD1 ILE 48 2HD1 ILE 48 1.243 0.743 0.548 372 3HD1 ILE 48 3HD1 ILE 48 2.640 0.015 -0.245 373 HA PRO 49 HA PRO 49 6.189 4.768 0.213 374 1HB PRO 49 1HB PRO 49 6.424 5.086 2.906 375 2HB PRO 49 2HB PRO 49 5.924 6.416 1.863 376 1HG PRO 49 1HG PRO 49 4.259 4.640 3.585 377 2HG PRO 49 2HG PRO 49 4.072 6.368 3.253 378 1HD PRO 49 1HD PRO 49 2.616 4.331 2.036 379 2HD PRO 49 2HD PRO 49 2.818 5.967 1.391 380 H SER 50 H SER 50 7.143 2.910 -0.069 381 HA SER 50 HA SER 50 6.249 0.424 0.588 382 1HB SER 50 1HB SER 50 8.459 1.508 -0.742 383 2HB SER 50 2HB SER 50 9.126 0.385 0.445 384 HG SER 50 HG SER 50 7.779 -0.128 -1.850 385 H ASN 51 H ASN 51 8.366 2.331 2.578 386 HA ASN 51 HA ASN 51 9.097 0.260 4.384 387 1HB ASN 51 1HB ASN 51 9.926 2.814 3.956 388 2HB ASN 51 2HB ASN 51 9.013 3.003 5.451 389 1HD2 ASN 51 1HD2 ASN 51 11.702 3.460 5.385 390 2HD2 ASN 51 2HD2 ASN 51 12.526 2.232 6.277 391 H TYR 52 H TYR 52 6.124 1.938 4.049 392 HA TYR 52 HA TYR 52 5.411 1.558 6.860 393 1HB TYR 52 1HB TYR 52 4.446 3.208 4.651 394 2HB TYR 52 2HB TYR 52 3.158 2.533 5.637 395 HD1 TYR 52 HD1 TYR 52 4.839 2.561 8.254 396 HD2 TYR 52 HD2 TYR 52 4.051 5.501 5.283 397 HE1 TYR 52 HE1 TYR 52 5.152 4.330 9.929 398 HE2 TYR 52 HE2 TYR 52 4.369 7.276 6.951 399 HH TYR 52 HH TYR 52 5.838 7.245 9.427 400 H ILE 53 H ILE 53 5.412 -0.568 4.371 401 HA ILE 53 HA ILE 53 3.037 -1.899 5.478 402 HB ILE 53 HB ILE 53 2.300 -2.671 3.318 403 1HG1 ILE 53 1HG1 ILE 53 3.644 -1.067 1.458 404 2HG1 ILE 53 2HG1 ILE 53 4.912 -1.727 2.487 405 1HG2 ILE 53 1HG2 ILE 53 2.692 0.314 3.438 406 2HG2 ILE 53 2HG2 ILE 53 1.334 -0.612 4.079 407 3HG2 ILE 53 3HG2 ILE 53 1.585 -0.506 2.337 408 1HD1 ILE 53 1HD1 ILE 53 3.958 -3.993 2.072 409 2HD1 ILE 53 2HD1 ILE 53 4.613 -3.195 0.641 410 3HD1 ILE 53 3HD1 ILE 53 2.869 -3.253 0.898 411 H GLU 54 H GLU 54 2.939 -4.256 4.705 412 HA GLU 54 HA GLU 54 5.570 -5.422 4.238 413 1HB GLU 54 1HB GLU 54 5.645 -6.760 6.184 414 2HB GLU 54 2HB GLU 54 5.252 -5.144 6.744 415 1HG GLU 54 1HG GLU 54 2.829 -6.577 6.238 416 2HG GLU 54 2HG GLU 54 3.889 -7.548 7.257 417 H MET 55 H MET 55 5.462 -7.138 2.962 418 HA MET 55 HA MET 55 3.200 -7.869 1.600 419 1HB MET 55 1HB MET 55 5.770 -8.493 1.311 420 2HB MET 55 2HB MET 55 5.235 -9.994 2.056 421 1HG MET 55 1HG MET 55 4.308 -10.694 0.169 422 2HG MET 55 2HG MET 55 3.427 -9.181 -0.033 423 1HE MET 55 1HE MET 55 7.054 -10.943 -1.465 424 2HE MET 55 2HE MET 55 6.892 -10.429 0.215 425 3HE MET 55 3HE MET 55 7.824 -9.453 -0.920 426 H LYS 56 H LYS 56 1.485 -9.090 1.955 427 HA LYS 56 HA LYS 56 1.457 -10.749 4.383 428 1HB LYS 56 1HB LYS 56 0.022 -8.740 4.494 429 2HB LYS 56 2HB LYS 56 -0.864 -9.307 3.090 430 1HG LYS 56 1HG LYS 56 -1.669 -11.221 4.320 431 2HG LYS 56 2HG LYS 56 -0.686 -10.770 5.715 432 1HD LYS 56 1HD LYS 56 -2.211 -8.500 5.047 433 2HD LYS 56 2HD LYS 56 -3.312 -9.876 4.981 434 1HE LYS 56 1HE LYS 56 -1.505 -9.204 7.303 435 2HE LYS 56 2HE LYS 56 -3.226 -8.829 7.213 436 1HZ LYS 56 1HZ LYS 56 -3.726 -11.167 7.117 437 2HZ LYS 56 2HZ LYS 56 -2.761 -10.866 8.474 438 3HZ LYS 56 3HZ LYS 56 -2.082 -11.567 7.092 439 H ASN 57 H ASN 57 -1.253 -10.835 2.240 440 HA ASN 57 HA ASN 57 -1.987 -12.345 0.690 441 1HB ASN 57 1HB ASN 57 0.737 -13.631 0.954 442 2HB ASN 57 2HB ASN 57 -0.501 -14.107 -0.195 443 1HD2 ASN 57 1HD2 ASN 57 1.128 -13.734 -1.772 444 2HD2 ASN 57 2HD2 ASN 57 1.430 -12.134 -2.347 445 H HIS 58 H HIS 58 0.015 -14.020 3.196 446 HA HIS 58 HA HIS 58 -2.067 -15.081 4.608 447 1HB HIS 58 1HB HIS 58 -2.028 -16.302 2.090 448 2HB HIS 58 2HB HIS 58 -1.264 -17.471 3.162 449 HD1 HIS 58 HD1 HIS 58 -4.077 -17.940 1.891 450 HD2 HIS 58 HD2 HIS 58 -3.398 -16.420 5.698 451 HE1 HIS 58 HE1 HIS 58 -6.177 -18.417 3.191 452 HE2 HIS 58 HE2 HIS 58 -5.786 -17.379 5.453 453 H ASP 59 H ASP 59 -1.364 -17.240 5.721 454 HA ASP 59 HA ASP 59 1.200 -16.646 6.897 455 1HB ASP 59 1HB ASP 59 -1.160 -18.113 7.651 456 2HB ASP 59 2HB ASP 59 0.268 -19.112 7.906 Start of MODEL 2 1 1H MET 1 1H MET 1 0.636 -10.154 -3.242 2 2H MET 1 2H MET 1 1.812 -9.235 -4.085 3 3H MET 1 3H MET 1 1.095 -10.605 -4.824 4 HA MET 1 HA MET 1 0.342 -8.161 -5.299 5 1HB MET 1 1HB MET 1 -0.401 -10.318 -6.348 6 2HB MET 1 2HB MET 1 -1.527 -10.533 -5.019 7 1HG MET 1 1HG MET 1 -2.374 -8.160 -5.814 8 2HG MET 1 2HG MET 1 -1.636 -8.670 -7.330 9 1HE MET 1 1HE MET 1 -3.236 -10.433 -4.468 10 2HE MET 1 2HE MET 1 -4.436 -11.506 -5.185 11 3HE MET 1 3HE MET 1 -4.858 -9.836 -4.812 12 H GLU 2 H GLU 2 -0.218 -9.413 -2.226 13 HA GLU 2 HA GLU 2 -1.997 -7.139 -1.740 14 1HB GLU 2 1HB GLU 2 -3.148 -8.413 0.044 15 2HB GLU 2 2HB GLU 2 -3.377 -9.111 -1.549 16 1HG GLU 2 1HG GLU 2 -1.256 -10.104 0.319 17 2HG GLU 2 2HG GLU 2 -2.910 -10.707 0.367 18 H ALA 3 H ALA 3 -1.624 -5.969 0.227 19 HA ALA 3 HA ALA 3 0.593 -6.877 1.945 20 1HB ALA 3 1HB ALA 3 0.560 -3.996 1.446 21 2HB ALA 3 2HB ALA 3 1.003 -4.962 0.048 22 3HB ALA 3 3HB ALA 3 1.917 -5.115 1.544 23 H ILE 4 H ILE 4 0.607 -6.115 4.001 24 HA ILE 4 HA ILE 4 -1.971 -4.974 4.931 25 HB ILE 4 HB ILE 4 -1.318 -7.205 5.851 26 1HG1 ILE 4 1HG1 ILE 4 -1.435 -5.157 8.036 27 2HG1 ILE 4 2HG1 ILE 4 -2.827 -5.508 7.011 28 1HG2 ILE 4 1HG2 ILE 4 0.505 -6.192 7.829 29 2HG2 ILE 4 2HG2 ILE 4 1.147 -6.034 6.196 30 3HG2 ILE 4 3HG2 ILE 4 0.641 -7.607 6.792 31 1HD1 ILE 4 1HD1 ILE 4 -3.219 -7.486 8.002 32 2HD1 ILE 4 2HD1 ILE 4 -2.310 -6.768 9.332 33 3HD1 ILE 4 3HD1 ILE 4 -1.504 -7.848 8.194 34 H ALA 5 H ALA 5 -2.052 -3.169 6.074 35 HA ALA 5 HA ALA 5 0.185 -1.439 6.110 36 1HB ALA 5 1HB ALA 5 -2.224 -0.964 7.793 37 2HB ALA 5 2HB ALA 5 -2.362 -0.925 6.035 38 3HB ALA 5 3HB ALA 5 -1.265 0.170 6.864 39 H LYS 6 H LYS 6 1.830 -1.546 7.480 40 HA LYS 6 HA LYS 6 1.478 -2.780 10.117 41 1HB LYS 6 1HB LYS 6 3.466 -3.414 8.864 42 2HB LYS 6 2HB LYS 6 3.949 -1.736 8.722 43 1HG LYS 6 1HG LYS 6 5.251 -2.887 10.416 44 2HG LYS 6 2HG LYS 6 4.267 -1.612 11.134 45 1HD LYS 6 1HD LYS 6 2.550 -3.533 11.521 46 2HD LYS 6 2HD LYS 6 3.956 -4.580 11.313 47 1HE LYS 6 1HE LYS 6 5.113 -3.314 13.091 48 2HE LYS 6 2HE LYS 6 3.650 -2.362 13.333 49 1HZ LYS 6 1HZ LYS 6 2.503 -4.204 14.148 50 2HZ LYS 6 2HZ LYS 6 4.028 -4.329 14.866 51 3HZ LYS 6 3HZ LYS 6 3.633 -5.310 13.547 52 H HIS 7 H HIS 7 1.525 0.280 8.681 53 HA HIS 7 HA HIS 7 1.105 1.548 11.235 54 1HB HIS 7 1HB HIS 7 3.462 2.317 9.502 55 2HB HIS 7 2HB HIS 7 2.840 3.309 10.818 56 HD1 HIS 7 HD1 HIS 7 2.778 1.919 13.228 57 HD2 HIS 7 HD2 HIS 7 5.423 0.628 10.295 58 HE1 HIS 7 HE1 HIS 7 4.477 0.508 14.431 59 HE2 HIS 7 HE2 HIS 7 5.986 -0.369 12.615 60 H ASP 8 H ASP 8 0.927 4.001 10.808 61 HA ASP 8 HA ASP 8 -1.246 4.237 8.944 62 1HB ASP 8 1HB ASP 8 -1.139 5.258 11.284 63 2HB ASP 8 2HB ASP 8 -0.035 6.453 10.610 64 H PHE 9 H PHE 9 -1.349 5.566 7.078 65 HA PHE 9 HA PHE 9 1.166 6.869 6.368 66 1HB PHE 9 1HB PHE 9 1.482 4.916 5.135 67 2HB PHE 9 2HB PHE 9 -0.230 4.745 4.781 68 HD1 PHE 9 HD1 PHE 9 2.330 7.416 4.174 69 HD2 PHE 9 HD2 PHE 9 -0.673 4.880 2.559 70 HE1 PHE 9 HE1 PHE 9 2.691 8.408 1.949 71 HE2 PHE 9 HE2 PHE 9 -0.321 5.857 0.337 72 HZ PHE 9 HZ PHE 9 1.366 7.621 0.024 73 H SER 10 H SER 10 0.957 8.798 5.562 74 HA SER 10 HA SER 10 -1.517 9.560 4.158 75 1HB SER 10 1HB SER 10 -1.210 11.846 5.071 76 2HB SER 10 2HB SER 10 -1.416 10.672 6.370 77 HG SER 10 HG SER 10 0.429 12.340 6.361 78 H ALA 11 H ALA 11 -1.285 10.285 2.203 79 HA ALA 11 HA ALA 11 0.959 9.859 0.696 80 1HB ALA 11 1HB ALA 11 -0.816 10.016 -0.648 81 2HB ALA 11 2HB ALA 11 -0.315 11.702 -0.777 82 3HB ALA 11 3HB ALA 11 -1.601 11.247 0.341 83 H THR 12 H THR 12 2.652 10.918 0.070 84 HA THR 12 HA THR 12 3.073 13.619 1.129 85 HB THR 12 HB THR 12 4.958 11.292 0.677 86 HG1 THR 12 HG1 THR 12 5.000 11.304 2.765 87 1HG2 THR 12 1HG2 THR 12 5.661 14.130 0.493 88 2HG2 THR 12 2HG2 THR 12 6.571 12.694 0.028 89 3HG2 THR 12 3HG2 THR 12 6.572 13.236 1.705 90 H ALA 13 H ALA 13 1.981 12.359 -1.497 91 HA ALA 13 HA ALA 13 2.927 14.544 -3.144 92 1HB ALA 13 1HB ALA 13 4.090 13.361 -4.668 93 2HB ALA 13 2HB ALA 13 2.993 11.984 -4.579 94 3HB ALA 13 3HB ALA 13 4.264 12.175 -3.373 95 H ASP 14 H ASP 14 1.694 14.658 -5.141 96 HA ASP 14 HA ASP 14 -1.047 14.566 -4.599 97 1HB ASP 14 1HB ASP 14 0.326 14.925 -7.268 98 2HB ASP 14 2HB ASP 14 -1.359 15.307 -6.929 99 H ASP 15 H ASP 15 0.989 12.332 -6.284 100 HA ASP 15 HA ASP 15 -1.277 10.835 -7.313 101 1HB ASP 15 1HB ASP 15 1.282 11.346 -8.225 102 2HB ASP 15 2HB ASP 15 1.348 9.661 -7.719 103 H GLU 16 H GLU 16 -0.386 10.911 -4.359 104 HA GLU 16 HA GLU 16 0.063 8.056 -3.908 105 1HB GLU 16 1HB GLU 16 0.657 10.508 -2.300 106 2HB GLU 16 2HB GLU 16 0.652 8.910 -1.568 107 1HG GLU 16 1HG GLU 16 2.239 8.473 -3.708 108 2HG GLU 16 2HG GLU 16 2.600 10.164 -3.373 109 H LEU 17 H LEU 17 -0.919 7.158 -1.915 110 HA LEU 17 HA LEU 17 -3.663 8.187 -1.573 111 1HB LEU 17 1HB LEU 17 -2.827 5.656 -2.456 112 2HB LEU 17 2HB LEU 17 -3.427 5.413 -0.831 113 HG LEU 17 HG LEU 17 -5.056 6.936 -2.836 114 1HD1 LEU 17 1HD1 LEU 17 -4.922 3.946 -2.506 115 2HD1 LEU 17 2HD1 LEU 17 -4.518 4.873 -3.947 116 3HD1 LEU 17 3HD1 LEU 17 -6.185 4.805 -3.381 117 1HD2 LEU 17 1HD2 LEU 17 -6.914 6.062 -1.468 118 2HD2 LEU 17 2HD2 LEU 17 -5.789 7.042 -0.527 119 3HD2 LEU 17 3HD2 LEU 17 -5.742 5.282 -0.406 120 H SER 18 H SER 18 -4.273 6.341 0.679 121 HA SER 18 HA SER 18 -2.321 6.932 2.717 122 1HB SER 18 1HB SER 18 -5.047 8.233 2.687 123 2HB SER 18 2HB SER 18 -4.104 8.020 4.162 124 HG SER 18 HG SER 18 -2.384 9.118 2.832 125 H PHE 19 H PHE 19 -2.795 5.761 4.699 126 HA PHE 19 HA PHE 19 -5.128 4.119 4.887 127 1HB PHE 19 1HB PHE 19 -4.121 1.954 4.571 128 2HB PHE 19 2HB PHE 19 -3.787 2.926 3.141 129 HD1 PHE 19 HD1 PHE 19 -1.591 3.267 2.420 130 HD2 PHE 19 HD2 PHE 19 -2.300 1.758 6.333 131 HE1 PHE 19 HE1 PHE 19 0.821 2.847 2.703 132 HE2 PHE 19 HE2 PHE 19 0.109 1.331 6.603 133 HZ PHE 19 HZ PHE 19 1.668 1.878 4.788 134 H ARG 20 H ARG 20 -5.056 2.633 6.764 135 HA ARG 20 HA ARG 20 -3.307 3.723 8.875 136 1HB ARG 20 1HB ARG 20 -6.192 3.345 8.708 137 2HB ARG 20 2HB ARG 20 -5.511 2.588 10.140 138 1HG ARG 20 1HG ARG 20 -5.199 4.544 11.149 139 2HG ARG 20 2HG ARG 20 -4.483 5.270 9.709 140 1HD ARG 20 1HD ARG 20 -6.645 6.302 10.559 141 2HD ARG 20 2HD ARG 20 -6.582 5.889 8.850 142 HE ARG 20 HE ARG 20 -7.944 4.251 10.891 143 1HH1 ARG 20 1HH1 ARG 20 -7.744 5.522 7.635 144 2HH1 ARG 20 2HH1 ARG 20 -9.210 4.761 7.124 145 1HH2 ARG 20 1HH2 ARG 20 -9.869 3.261 10.205 146 2HH2 ARG 20 2HH2 ARG 20 -10.414 3.482 8.576 147 H LYS 21 H LYS 21 -2.708 2.323 10.595 148 HA LYS 21 HA LYS 21 -1.676 -0.158 9.874 149 1HB LYS 21 1HB LYS 21 -1.963 -0.420 12.590 150 2HB LYS 21 2HB LYS 21 -0.599 0.314 11.766 151 1HG LYS 21 1HG LYS 21 -1.224 1.795 13.484 152 2HG LYS 21 2HG LYS 21 -1.795 2.523 11.986 153 1HD LYS 21 1HD LYS 21 -3.864 0.850 12.980 154 2HD LYS 21 2HD LYS 21 -3.275 1.829 14.322 155 1HE LYS 21 1HE LYS 21 -4.110 2.933 11.641 156 2HE LYS 21 2HE LYS 21 -5.151 2.866 13.061 157 1HZ LYS 21 1HZ LYS 21 -2.551 4.294 12.977 158 2HZ LYS 21 2HZ LYS 21 -3.696 4.336 14.222 159 3HZ LYS 21 3HZ LYS 21 -4.050 5.037 12.723 160 H GLY 22 H GLY 22 -2.400 -2.166 9.818 161 1HA GLY 22 1HA GLY 22 -3.729 -3.994 10.461 162 2HA GLY 22 2HA GLY 22 -4.900 -2.879 11.142 163 H GLN 23 H GLN 23 -4.515 -1.423 8.342 164 HA GLN 23 HA GLN 23 -6.834 -2.698 7.233 165 1HB GLN 23 1HB GLN 23 -5.348 -0.211 6.712 166 2HB GLN 23 2HB GLN 23 -6.121 -0.936 5.310 167 1HG GLN 23 1HG GLN 23 -8.084 -1.057 7.232 168 2HG GLN 23 2HG GLN 23 -7.291 0.483 7.558 169 1HE2 GLN 23 1HE2 GLN 23 -9.689 0.907 6.875 170 2HE2 GLN 23 2HE2 GLN 23 -9.892 1.338 5.215 171 H ILE 24 H ILE 24 -7.052 -3.339 4.941 172 HA ILE 24 HA ILE 24 -4.589 -4.674 4.050 173 HB ILE 24 HB ILE 24 -6.392 -6.196 4.632 174 1HG1 ILE 24 1HG1 ILE 24 -6.174 -6.258 1.635 175 2HG1 ILE 24 2HG1 ILE 24 -4.771 -6.560 2.655 176 1HG2 ILE 24 1HG2 ILE 24 -8.454 -5.349 4.319 177 2HG2 ILE 24 2HG2 ILE 24 -8.310 -6.142 2.751 178 3HG2 ILE 24 3HG2 ILE 24 -7.981 -4.419 2.901 179 1HD1 ILE 24 1HD1 ILE 24 -6.513 -8.448 1.779 180 2HD1 ILE 24 2HD1 ILE 24 -7.134 -8.107 3.395 181 3HD1 ILE 24 3HD1 ILE 24 -5.458 -8.615 3.183 182 H LEU 25 H LEU 25 -3.589 -3.683 2.476 183 HA LEU 25 HA LEU 25 -5.070 -2.101 0.512 184 1HB LEU 25 1HB LEU 25 -2.255 -2.227 1.471 185 2HB LEU 25 2HB LEU 25 -2.536 -1.663 -0.165 186 HG LEU 25 HG LEU 25 -4.292 -0.347 1.745 187 1HD1 LEU 25 1HD1 LEU 25 -2.899 0.369 3.321 188 2HD1 LEU 25 2HD1 LEU 25 -1.668 0.796 2.134 189 3HD1 LEU 25 3HD1 LEU 25 -1.752 -0.848 2.760 190 1HD2 LEU 25 1HD2 LEU 25 -2.381 0.422 -0.426 191 2HD2 LEU 25 2HD2 LEU 25 -3.079 1.645 0.636 192 3HD2 LEU 25 3HD2 LEU 25 -4.128 0.627 -0.349 193 H LYS 26 H LYS 26 -5.085 -2.582 -1.688 194 HA LYS 26 HA LYS 26 -4.177 -5.259 -2.420 195 1HB LYS 26 1HB LYS 26 -6.500 -3.961 -2.935 196 2HB LYS 26 2HB LYS 26 -5.604 -3.587 -4.401 197 1HG LYS 26 1HG LYS 26 -6.735 -5.518 -4.958 198 2HG LYS 26 2HG LYS 26 -5.142 -6.119 -4.494 199 1HD LYS 26 1HD LYS 26 -6.061 -6.527 -2.201 200 2HD LYS 26 2HD LYS 26 -7.658 -6.126 -2.836 201 1HE LYS 26 1HE LYS 26 -7.849 -8.080 -3.952 202 2HE LYS 26 2HE LYS 26 -6.138 -8.127 -4.370 203 1HZ LYS 26 1HZ LYS 26 -5.598 -8.960 -2.236 204 2HZ LYS 26 2HZ LYS 26 -6.891 -9.892 -2.801 205 3HZ LYS 26 3HZ LYS 26 -7.161 -8.688 -1.645 206 H ILE 27 H ILE 27 -2.236 -5.505 -3.392 207 HA ILE 27 HA ILE 27 -0.949 -3.223 -4.652 208 HB ILE 27 HB ILE 27 0.121 -6.030 -4.467 209 1HG1 ILE 27 1HG1 ILE 27 0.730 -3.820 -2.514 210 2HG1 ILE 27 2HG1 ILE 27 -0.559 -4.986 -2.227 211 1HG2 ILE 27 1HG2 ILE 27 1.141 -4.267 -6.014 212 2HG2 ILE 27 2HG2 ILE 27 2.221 -5.111 -4.903 213 3HG2 ILE 27 3HG2 ILE 27 1.682 -3.472 -4.535 214 1HD1 ILE 27 1HD1 ILE 27 1.498 -6.636 -2.815 215 2HD1 ILE 27 2HD1 ILE 27 1.054 -6.136 -1.186 216 3HD1 ILE 27 3HD1 ILE 27 2.347 -5.298 -2.041 217 H LEU 28 H LEU 28 -0.965 -2.825 -6.719 218 HA LEU 28 HA LEU 28 -1.900 -4.882 -8.630 219 1HB LEU 28 1HB LEU 28 -2.083 -1.895 -8.564 220 2HB LEU 28 2HB LEU 28 -2.232 -2.773 -10.075 221 HG LEU 28 HG LEU 28 -3.949 -3.714 -7.856 222 1HD1 LEU 28 1HD1 LEU 28 -4.318 -1.455 -7.414 223 2HD1 LEU 28 2HD1 LEU 28 -5.615 -1.889 -8.528 224 3HD1 LEU 28 3HD1 LEU 28 -4.203 -1.015 -9.116 225 1HD2 LEU 28 1HD2 LEU 28 -5.217 -4.510 -9.536 226 2HD2 LEU 28 2HD2 LEU 28 -3.760 -4.267 -10.500 227 3HD2 LEU 28 3HD2 LEU 28 -5.034 -3.048 -10.505 228 H ASN 29 H ASN 29 0.557 -2.488 -7.953 229 HA ASN 29 HA ASN 29 2.405 -3.828 -9.754 230 1HB ASN 29 1HB ASN 29 3.053 -1.385 -10.552 231 2HB ASN 29 2HB ASN 29 1.914 -2.407 -11.415 232 1HD2 ASN 29 1HD2 ASN 29 1.708 0.076 -12.023 233 2HD2 ASN 29 2HD2 ASN 29 0.373 0.859 -11.257 234 H MET 30 H MET 30 4.501 -3.634 -9.028 235 HA MET 30 HA MET 30 4.894 -2.271 -6.486 236 1HB MET 30 1HB MET 30 6.819 -3.590 -6.184 237 2HB MET 30 2HB MET 30 5.656 -4.666 -6.940 238 1HG MET 30 1HG MET 30 7.869 -3.231 -8.398 239 2HG MET 30 2HG MET 30 7.963 -4.887 -7.813 240 1HE MET 30 1HE MET 30 6.503 -6.770 -8.542 241 2HE MET 30 2HE MET 30 7.745 -6.765 -9.792 242 3HE MET 30 3HE MET 30 6.052 -6.975 -10.234 243 H GLU 31 H GLU 31 5.094 -1.362 -9.592 244 HA GLU 31 HA GLU 31 5.847 0.511 -10.560 245 1HB GLU 31 1HB GLU 31 7.457 0.931 -8.039 246 2HB GLU 31 2HB GLU 31 7.309 2.076 -9.362 247 1HG GLU 31 1HG GLU 31 4.726 1.725 -8.860 248 2HG GLU 31 2HG GLU 31 5.364 1.349 -7.261 249 H ASP 32 H ASP 32 8.813 1.106 -9.642 250 HA ASP 32 HA ASP 32 9.958 -0.810 -11.491 251 1HB ASP 32 1HB ASP 32 11.957 0.873 -11.617 252 2HB ASP 32 2HB ASP 32 10.491 1.167 -12.547 253 H ASP 33 H ASP 33 9.549 -0.901 -8.469 254 HA ASP 33 HA ASP 33 10.507 -2.257 -6.912 255 1HB ASP 33 1HB ASP 33 12.665 -2.507 -9.011 256 2HB ASP 33 2HB ASP 33 12.870 -3.184 -7.404 257 H SER 34 H SER 34 10.398 -0.011 -6.010 258 HA SER 34 HA SER 34 13.005 0.640 -4.949 259 1HB SER 34 1HB SER 34 11.697 2.242 -7.005 260 2HB SER 34 2HB SER 34 12.093 3.197 -5.583 261 HG SER 34 HG SER 34 13.796 3.033 -7.188 262 H ASN 35 H ASN 35 11.761 3.300 -4.201 263 HA ASN 35 HA ASN 35 10.872 2.433 -1.583 264 1HB ASN 35 1HB ASN 35 12.267 4.620 -2.484 265 2HB ASN 35 2HB ASN 35 10.717 5.290 -1.986 266 1HD2 ASN 35 1HD2 ASN 35 13.723 4.165 -0.983 267 2HD2 ASN 35 2HD2 ASN 35 13.438 4.165 0.721 268 H TRP 36 H TRP 36 9.192 3.763 -4.383 269 HA TRP 36 HA TRP 36 6.800 3.950 -2.685 270 1HB TRP 36 1HB TRP 36 7.325 5.169 -5.413 271 2HB TRP 36 2HB TRP 36 5.832 5.348 -4.493 272 HD1 TRP 36 HD1 TRP 36 8.920 7.154 -5.158 273 HE1 TRP 36 HE1 TRP 36 9.370 8.949 -3.368 274 HE3 TRP 36 HE3 TRP 36 5.575 5.619 -1.610 275 HZ2 TRP 36 HZ2 TRP 36 8.430 9.623 -0.790 276 HZ3 TRP 36 HZ3 TRP 36 5.409 6.895 0.484 277 HH2 TRP 36 HH2 TRP 36 6.809 8.854 0.888 278 H TYR 37 H TYR 37 5.112 2.559 -3.080 279 HA TYR 37 HA TYR 37 5.314 0.785 -5.428 280 1HB TYR 37 1HB TYR 37 4.615 0.288 -2.584 281 2HB TYR 37 2HB TYR 37 3.690 -0.599 -3.788 282 HD1 TYR 37 HD1 TYR 37 7.177 0.274 -4.476 283 HD2 TYR 37 HD2 TYR 37 4.562 -2.719 -2.955 284 HE1 TYR 37 HE1 TYR 37 8.987 -1.380 -4.636 285 HE2 TYR 37 HE2 TYR 37 6.366 -4.383 -3.110 286 HH TYR 37 HH TYR 37 8.524 -4.732 -3.569 287 H ARG 38 H ARG 38 3.249 0.072 -6.359 288 HA ARG 38 HA ARG 38 1.201 2.148 -6.017 289 1HB ARG 38 1HB ARG 38 2.402 1.914 -8.246 290 2HB ARG 38 2HB ARG 38 1.558 0.392 -8.433 291 1HG ARG 38 1HG ARG 38 -0.094 1.516 -9.384 292 2HG ARG 38 2HG ARG 38 -0.435 2.227 -7.806 293 1HD ARG 38 1HD ARG 38 0.129 4.224 -8.595 294 2HD ARG 38 2HD ARG 38 1.757 3.634 -8.911 295 HE ARG 38 HE ARG 38 0.899 2.925 -11.130 296 1HH1 ARG 38 1HH1 ARG 38 -0.767 5.455 -9.378 297 2HH1 ARG 38 2HH1 ARG 38 -1.409 6.185 -10.809 298 1HH2 ARG 38 1HH2 ARG 38 0.056 3.900 -13.002 299 2HH2 ARG 38 2HH2 ARG 38 -0.943 5.308 -12.860 300 H ALA 39 H ALA 39 -0.652 1.604 -5.128 301 HA ALA 39 HA ALA 39 -1.749 -1.063 -5.591 302 1HB ALA 39 1HB ALA 39 -0.332 -0.848 -3.396 303 2HB ALA 39 2HB ALA 39 -1.850 -1.738 -3.400 304 3HB ALA 39 3HB ALA 39 -1.798 -0.092 -2.776 305 H GLU 40 H GLU 40 -3.954 -1.219 -4.368 306 HA GLU 40 HA GLU 40 -5.438 1.296 -4.780 307 1HB GLU 40 1HB GLU 40 -5.846 -0.544 -6.489 308 2HB GLU 40 2HB GLU 40 -6.548 -1.483 -5.177 309 1HG GLU 40 1HG GLU 40 -8.284 0.129 -4.861 310 2HG GLU 40 2HG GLU 40 -7.525 1.235 -6.003 311 H LEU 41 H LEU 41 -7.102 1.775 -3.307 312 HA LEU 41 HA LEU 41 -7.702 -0.100 -1.171 313 1HB LEU 41 1HB LEU 41 -5.692 1.416 -0.552 314 2HB LEU 41 2HB LEU 41 -6.881 2.695 -0.434 315 HG LEU 41 HG LEU 41 -7.196 0.145 1.126 316 1HD1 LEU 41 1HD1 LEU 41 -4.961 1.545 1.460 317 2HD1 LEU 41 2HD1 LEU 41 -5.831 0.824 2.811 318 3HD1 LEU 41 3HD1 LEU 41 -6.037 2.535 2.439 319 1HD2 LEU 41 1HD2 LEU 41 -9.171 1.421 1.118 320 2HD2 LEU 41 2HD2 LEU 41 -8.287 2.937 1.308 321 3HD2 LEU 41 3HD2 LEU 41 -8.382 1.798 2.650 322 H ASP 42 H ASP 42 -9.770 0.002 -0.649 323 HA ASP 42 HA ASP 42 -11.973 0.536 -0.765 324 1HB ASP 42 1HB ASP 42 -10.777 2.514 0.620 325 2HB ASP 42 2HB ASP 42 -11.485 3.451 -0.692 326 H GLY 43 H GLY 43 -10.654 0.278 -3.295 327 1HA GLY 43 1HA GLY 43 -11.400 0.448 -5.491 328 2HA GLY 43 2HA GLY 43 -12.651 1.552 -4.943 329 H LYS 44 H LYS 44 -9.564 2.451 -3.899 330 HA LYS 44 HA LYS 44 -9.331 4.419 -6.087 331 1HB LYS 44 1HB LYS 44 -9.961 5.447 -3.950 332 2HB LYS 44 2HB LYS 44 -8.607 4.661 -3.155 333 1HG LYS 44 1HG LYS 44 -8.304 7.096 -3.695 334 2HG LYS 44 2HG LYS 44 -7.033 6.024 -4.272 335 1HD LYS 44 1HD LYS 44 -7.305 6.978 -6.267 336 2HD LYS 44 2HD LYS 44 -8.832 6.105 -6.375 337 1HE LYS 44 1HE LYS 44 -9.657 8.193 -4.939 338 2HE LYS 44 2HE LYS 44 -8.309 8.959 -5.780 339 1HZ LYS 44 1HZ LYS 44 -10.621 8.992 -6.860 340 2HZ LYS 44 2HZ LYS 44 -10.301 7.384 -7.275 341 3HZ LYS 44 3HZ LYS 44 -9.285 8.618 -7.829 342 H GLU 45 H GLU 45 -7.266 4.678 -6.986 343 HA GLU 45 HA GLU 45 -5.238 2.788 -6.007 344 1HB GLU 45 1HB GLU 45 -6.008 2.506 -8.390 345 2HB GLU 45 2HB GLU 45 -5.350 4.097 -8.738 346 1HG GLU 45 1HG GLU 45 -3.152 3.378 -8.462 347 2HG GLU 45 2HG GLU 45 -3.643 1.920 -7.599 348 H GLY 46 H GLY 46 -3.030 3.456 -6.021 349 1HA GLY 46 1HA GLY 46 -2.193 6.120 -6.248 350 2HA GLY 46 2HA GLY 46 -2.743 5.840 -4.604 351 H LEU 47 H LEU 47 -0.404 6.550 -4.519 352 HA LEU 47 HA LEU 47 1.429 4.265 -4.655 353 1HB LEU 47 1HB LEU 47 1.763 7.210 -4.857 354 2HB LEU 47 2HB LEU 47 3.074 6.304 -4.128 355 HG LEU 47 HG LEU 47 3.232 4.933 -6.188 356 1HD1 LEU 47 1HD1 LEU 47 0.908 5.185 -6.926 357 2HD1 LEU 47 2HD1 LEU 47 2.050 5.639 -8.192 358 3HD1 LEU 47 3HD1 LEU 47 1.210 6.887 -7.273 359 1HD2 LEU 47 1HD2 LEU 47 4.362 6.574 -7.489 360 2HD2 LEU 47 2HD2 LEU 47 4.567 7.026 -5.797 361 3HD2 LEU 47 3HD2 LEU 47 3.393 7.876 -6.801 362 H ILE 48 H ILE 48 2.566 3.610 -2.856 363 HA ILE 48 HA ILE 48 1.890 4.885 -0.285 364 HB ILE 48 HB ILE 48 2.271 2.316 0.497 365 1HG1 ILE 48 1HG1 ILE 48 0.399 1.370 -1.353 366 2HG1 ILE 48 2HG1 ILE 48 1.628 2.148 -2.337 367 1HG2 ILE 48 1HG2 ILE 48 0.351 2.896 1.415 368 2HG2 ILE 48 2HG2 ILE 48 -0.467 2.450 -0.068 369 3HG2 ILE 48 3HG2 ILE 48 0.061 4.107 0.185 370 1HD1 ILE 48 1HD1 ILE 48 2.481 0.048 -2.201 371 2HD1 ILE 48 2HD1 ILE 48 1.812 -0.235 -0.592 372 3HD1 ILE 48 3HD1 ILE 48 3.246 0.773 -0.787 373 HA PRO 49 HA PRO 49 6.218 4.723 0.300 374 1HB PRO 49 1HB PRO 49 6.487 4.948 3.013 375 2HB PRO 49 2HB PRO 49 5.907 6.288 2.021 376 1HG PRO 49 1HG PRO 49 4.366 4.384 3.718 377 2HG PRO 49 2HG PRO 49 4.085 6.108 3.426 378 1HD PRO 49 1HD PRO 49 2.714 4.027 2.190 379 2HD PRO 49 2HD PRO 49 2.815 5.680 1.580 380 H SER 50 H SER 50 7.367 2.955 -0.039 381 HA SER 50 HA SER 50 6.731 0.366 0.625 382 1HB SER 50 1HB SER 50 8.913 -0.247 -0.171 383 2HB SER 50 2HB SER 50 8.294 1.077 -1.156 384 HG SER 50 HG SER 50 10.363 1.075 0.733 385 H ASN 51 H ASN 51 7.183 2.248 2.968 386 HA ASN 51 HA ASN 51 8.809 0.395 4.584 387 1HB ASN 51 1HB ASN 51 9.219 3.162 4.255 388 2HB ASN 51 2HB ASN 51 8.580 2.957 5.884 389 1HD2 ASN 51 1HD2 ASN 51 11.285 3.637 4.792 390 2HD2 ASN 51 2HD2 ASN 51 12.359 2.529 5.570 391 H TYR 52 H TYR 52 5.788 1.958 4.244 392 HA TYR 52 HA TYR 52 4.971 1.292 6.969 393 1HB TYR 52 1HB TYR 52 3.595 2.873 4.802 394 2HB TYR 52 2HB TYR 52 2.925 2.571 6.402 395 HD1 TYR 52 HD1 TYR 52 6.202 3.766 5.015 396 HD2 TYR 52 HD2 TYR 52 3.080 4.343 7.845 397 HE1 TYR 52 HE1 TYR 52 7.359 5.759 5.877 398 HE2 TYR 52 HE2 TYR 52 4.224 6.337 8.712 399 HH TYR 52 HH TYR 52 7.004 7.057 8.616 400 H ILE 53 H ILE 53 5.162 -0.553 4.295 401 HA ILE 53 HA ILE 53 2.626 -1.880 4.953 402 HB ILE 53 HB ILE 53 1.904 -2.085 2.823 403 1HG1 ILE 53 1HG1 ILE 53 3.861 -3.410 2.045 404 2HG1 ILE 53 2HG1 ILE 53 3.259 -2.304 0.817 405 1HG2 ILE 53 1HG2 ILE 53 3.722 0.301 2.556 406 2HG2 ILE 53 2HG2 ILE 53 2.074 0.292 3.182 407 3HG2 ILE 53 3HG2 ILE 53 2.374 -0.075 1.483 408 1HD1 ILE 53 1HD1 ILE 53 5.315 -1.048 2.379 409 2HD1 ILE 53 2HD1 ILE 53 5.236 -1.336 0.641 410 3HD1 ILE 53 3HD1 ILE 53 5.875 -2.581 1.714 411 H GLU 54 H GLU 54 2.674 -3.978 5.279 412 HA GLU 54 HA GLU 54 5.256 -5.332 5.225 413 1HB GLU 54 1HB GLU 54 2.596 -6.174 6.352 414 2HB GLU 54 2HB GLU 54 4.053 -7.137 6.451 415 1HG GLU 54 1HG GLU 54 4.840 -4.714 7.472 416 2HG GLU 54 2HG GLU 54 3.184 -4.880 8.054 417 H MET 55 H MET 55 5.567 -7.384 4.239 418 HA MET 55 HA MET 55 4.119 -7.655 1.744 419 1HB MET 55 1HB MET 55 6.710 -7.901 2.260 420 2HB MET 55 2HB MET 55 6.251 -9.573 2.549 421 1HG MET 55 1HG MET 55 7.025 -9.234 0.269 422 2HG MET 55 2HG MET 55 5.337 -9.735 0.310 423 1HE MET 55 1HE MET 55 4.772 -8.689 -2.347 424 2HE MET 55 2HE MET 55 6.518 -8.850 -2.162 425 3HE MET 55 3HE MET 55 5.835 -7.360 -2.814 426 H LYS 56 H LYS 56 2.522 -8.280 4.010 427 HA LYS 56 HA LYS 56 1.385 -10.702 3.198 428 1HB LYS 56 1HB LYS 56 1.860 -12.067 5.257 429 2HB LYS 56 2HB LYS 56 3.222 -11.873 4.163 430 1HG LYS 56 1HG LYS 56 4.460 -10.871 5.719 431 2HG LYS 56 2HG LYS 56 3.139 -9.805 6.203 432 1HD LYS 56 1HD LYS 56 2.991 -12.670 6.995 433 2HD LYS 56 2HD LYS 56 4.139 -11.635 7.846 434 1HE LYS 56 1HE LYS 56 1.615 -10.297 7.607 435 2HE LYS 56 2HE LYS 56 1.372 -11.894 8.298 436 1HZ LYS 56 1HZ LYS 56 3.548 -10.919 9.620 437 2HZ LYS 56 2HZ LYS 56 1.966 -10.966 10.214 438 3HZ LYS 56 3HZ LYS 56 2.546 -9.564 9.468 439 H ASN 57 H ASN 57 -0.689 -9.942 3.508 440 HA ASN 57 HA ASN 57 -1.252 -8.516 5.977 441 1HB ASN 57 1HB ASN 57 -3.564 -8.240 4.846 442 2HB ASN 57 2HB ASN 57 -2.192 -7.345 4.201 443 1HD2 ASN 57 1HD2 ASN 57 -3.692 -10.532 3.845 444 2HD2 ASN 57 2HD2 ASN 57 -3.597 -10.574 2.123 445 H HIS 58 H HIS 58 -0.889 -10.574 7.174 446 HA HIS 58 HA HIS 58 -2.783 -12.709 7.083 447 1HB HIS 58 1HB HIS 58 -0.591 -11.769 8.849 448 2HB HIS 58 2HB HIS 58 -1.840 -12.742 9.617 449 HD1 HIS 58 HD1 HIS 58 1.181 -13.618 9.096 450 HD2 HIS 58 HD2 HIS 58 -2.150 -14.747 6.885 451 HE1 HIS 58 HE1 HIS 58 1.822 -15.772 7.968 452 HE2 HIS 58 HE2 HIS 58 -0.205 -16.429 6.623 453 H ASP 59 H ASP 59 -4.789 -12.765 7.943 454 HA ASP 59 HA ASP 59 -5.489 -11.203 10.242 455 1HB ASP 59 1HB ASP 59 -7.381 -10.009 9.172 456 2HB ASP 59 2HB ASP 59 -5.811 -9.476 8.578 Start of MODEL 3 1 1H MET 1 1H MET 1 0.009 -11.383 -3.517 2 2H MET 1 2H MET 1 1.041 -10.090 -3.052 3 3H MET 1 3H MET 1 1.227 -10.828 -4.589 4 HA MET 1 HA MET 1 0.146 -8.844 -4.964 5 1HB MET 1 1HB MET 1 -1.398 -11.383 -5.029 6 2HB MET 1 2HB MET 1 -2.354 -9.921 -5.228 7 1HG MET 1 1HG MET 1 -0.470 -9.364 -6.997 8 2HG MET 1 2HG MET 1 -0.321 -11.120 -7.021 9 1HE MET 1 1HE MET 1 -2.528 -12.762 -7.657 10 2HE MET 1 2HE MET 1 -4.130 -12.040 -7.791 11 3HE MET 1 3HE MET 1 -3.237 -11.927 -6.275 12 H GLU 2 H GLU 2 -0.393 -9.984 -1.907 13 HA GLU 2 HA GLU 2 -2.233 -7.750 -1.413 14 1HB GLU 2 1HB GLU 2 -2.123 -10.311 0.188 15 2HB GLU 2 2HB GLU 2 -3.196 -8.947 0.481 16 1HG GLU 2 1HG GLU 2 -4.040 -9.348 -1.895 17 2HG GLU 2 2HG GLU 2 -3.232 -10.907 -1.779 18 H ALA 3 H ALA 3 -1.903 -6.548 0.521 19 HA ALA 3 HA ALA 3 0.412 -7.175 2.165 20 1HB ALA 3 1HB ALA 3 1.208 -4.790 1.923 21 2HB ALA 3 2HB ALA 3 0.180 -4.700 0.493 22 3HB ALA 3 3HB ALA 3 1.505 -5.858 0.555 23 H ILE 4 H ILE 4 0.637 -5.593 3.957 24 HA ILE 4 HA ILE 4 -1.922 -4.388 4.749 25 HB ILE 4 HB ILE 4 -0.339 -5.992 6.737 26 1HG1 ILE 4 1HG1 ILE 4 -2.397 -6.892 4.758 27 2HG1 ILE 4 2HG1 ILE 4 -0.925 -7.696 5.277 28 1HG2 ILE 4 1HG2 ILE 4 -3.223 -5.119 6.718 29 2HG2 ILE 4 2HG2 ILE 4 -1.919 -4.250 7.527 30 3HG2 ILE 4 3HG2 ILE 4 -2.352 -5.879 8.048 31 1HD1 ILE 4 1HD1 ILE 4 -3.476 -8.333 6.049 32 2HD1 ILE 4 2HD1 ILE 4 -2.873 -7.411 7.423 33 3HD1 ILE 4 3HD1 ILE 4 -1.995 -8.832 6.866 34 H ALA 5 H ALA 5 -1.795 -2.567 5.936 35 HA ALA 5 HA ALA 5 0.684 -1.175 6.028 36 1HB ALA 5 1HB ALA 5 -1.533 -0.117 5.683 37 2HB ALA 5 2HB ALA 5 -0.576 0.634 6.959 38 3HB ALA 5 3HB ALA 5 -1.908 -0.445 7.374 39 H LYS 6 H LYS 6 2.213 -1.364 7.513 40 HA LYS 6 HA LYS 6 1.612 -2.592 10.113 41 1HB LYS 6 1HB LYS 6 4.016 -2.586 10.493 42 2HB LYS 6 2HB LYS 6 3.664 -3.274 8.918 43 1HG LYS 6 1HG LYS 6 5.370 -1.928 8.310 44 2HG LYS 6 2HG LYS 6 4.063 -0.752 8.167 45 1HD LYS 6 1HD LYS 6 5.229 0.529 9.567 46 2HD LYS 6 2HD LYS 6 4.793 -0.617 10.836 47 1HE LYS 6 1HE LYS 6 7.196 -1.038 9.087 48 2HE LYS 6 2HE LYS 6 7.271 -0.023 10.526 49 1HZ LYS 6 1HZ LYS 6 7.773 -1.942 11.532 50 2HZ LYS 6 2HZ LYS 6 7.113 -2.901 10.306 51 3HZ LYS 6 3HZ LYS 6 6.106 -2.231 11.488 52 H HIS 7 H HIS 7 2.191 0.524 8.731 53 HA HIS 7 HA HIS 7 1.438 1.754 11.231 54 1HB HIS 7 1HB HIS 7 3.553 2.195 11.842 55 2HB HIS 7 2HB HIS 7 4.187 1.686 10.290 56 HD1 HIS 7 HD1 HIS 7 2.045 4.707 11.078 57 HD2 HIS 7 HD2 HIS 7 5.797 3.725 9.604 58 HE1 HIS 7 HE1 HIS 7 3.061 6.868 10.346 59 HE2 HIS 7 HE2 HIS 7 5.390 6.276 9.589 60 H ASP 8 H ASP 8 0.218 3.461 10.897 61 HA ASP 8 HA ASP 8 -1.162 4.092 8.701 62 1HB ASP 8 1HB ASP 8 -0.913 6.614 9.666 63 2HB ASP 8 2HB ASP 8 -1.972 5.388 10.349 64 H PHE 9 H PHE 9 -1.116 5.423 6.926 65 HA PHE 9 HA PHE 9 1.410 6.738 6.331 66 1HB PHE 9 1HB PHE 9 2.031 5.362 4.693 67 2HB PHE 9 2HB PHE 9 0.742 4.279 5.174 68 HD1 PHE 9 HD1 PHE 9 1.329 7.274 3.015 69 HD2 PHE 9 HD2 PHE 9 -0.773 3.627 3.614 70 HE1 PHE 9 HE1 PHE 9 0.385 7.453 0.751 71 HE2 PHE 9 HE2 PHE 9 -1.725 3.797 1.357 72 HZ PHE 9 HZ PHE 9 -1.138 5.706 -0.083 73 H SER 10 H SER 10 1.175 8.662 5.537 74 HA SER 10 HA SER 10 -1.272 9.370 4.051 75 1HB SER 10 1HB SER 10 -1.401 11.448 5.128 76 2HB SER 10 2HB SER 10 -0.859 10.411 6.446 77 HG SER 10 HG SER 10 1.324 11.079 5.818 78 H ALA 11 H ALA 11 -1.010 10.032 2.105 79 HA ALA 11 HA ALA 11 1.303 9.757 0.658 80 1HB ALA 11 1HB ALA 11 -0.566 9.748 -0.624 81 2HB ALA 11 2HB ALA 11 0.012 11.382 -0.937 82 3HB ALA 11 3HB ALA 11 -1.298 11.116 0.214 83 H THR 12 H THR 12 2.922 10.941 0.055 84 HA THR 12 HA THR 12 3.120 13.673 1.101 85 HB THR 12 HB THR 12 5.057 11.410 0.894 86 HG1 THR 12 HG1 THR 12 4.491 13.497 2.712 87 1HG2 THR 12 1HG2 THR 12 5.882 14.259 0.445 88 2HG2 THR 12 2HG2 THR 12 6.392 12.800 -0.405 89 3HG2 THR 12 3HG2 THR 12 6.944 13.101 1.243 90 H ALA 13 H ALA 13 2.177 12.310 -1.532 91 HA ALA 13 HA ALA 13 2.949 14.552 -3.192 92 1HB ALA 13 1HB ALA 13 3.635 11.703 -3.894 93 2HB ALA 13 2HB ALA 13 4.745 13.058 -3.728 94 3HB ALA 13 3HB ALA 13 3.595 13.015 -5.063 95 H ASP 14 H ASP 14 1.734 14.532 -5.202 96 HA ASP 14 HA ASP 14 -0.993 14.192 -4.699 97 1HB ASP 14 1HB ASP 14 0.446 14.719 -7.300 98 2HB ASP 14 2HB ASP 14 -1.300 14.830 -7.094 99 H ASP 15 H ASP 15 1.258 12.101 -6.318 100 HA ASP 15 HA ASP 15 -0.872 10.497 -7.433 101 1HB ASP 15 1HB ASP 15 1.052 9.162 -8.367 102 2HB ASP 15 2HB ASP 15 0.962 10.845 -8.877 103 H GLU 16 H GLU 16 -0.149 10.608 -4.445 104 HA GLU 16 HA GLU 16 0.164 7.719 -3.967 105 1HB GLU 16 1HB GLU 16 1.008 10.133 -2.407 106 2HB GLU 16 2HB GLU 16 0.757 8.588 -1.604 107 1HG GLU 16 1HG GLU 16 2.637 7.704 -2.426 108 2HG GLU 16 2HG GLU 16 2.412 8.443 -4.008 109 H LEU 17 H LEU 17 -0.905 6.961 -1.950 110 HA LEU 17 HA LEU 17 -3.568 8.211 -1.736 111 1HB LEU 17 1HB LEU 17 -3.066 5.703 -2.607 112 2HB LEU 17 2HB LEU 17 -3.309 5.393 -0.901 113 HG LEU 17 HG LEU 17 -5.369 7.135 -2.026 114 1HD1 LEU 17 1HD1 LEU 17 -4.948 5.796 -4.029 115 2HD1 LEU 17 2HD1 LEU 17 -6.509 5.417 -3.299 116 3HD1 LEU 17 3HD1 LEU 17 -5.149 4.326 -3.074 117 1HD2 LEU 17 1HD2 LEU 17 -6.711 6.045 -0.590 118 2HD2 LEU 17 2HD2 LEU 17 -5.183 5.571 0.142 119 3HD2 LEU 17 3HD2 LEU 17 -6.009 4.473 -0.958 120 H SER 18 H SER 18 -4.104 6.261 0.596 121 HA SER 18 HA SER 18 -2.310 7.081 2.665 122 1HB SER 18 1HB SER 18 -5.197 7.844 3.051 123 2HB SER 18 2HB SER 18 -3.785 8.380 3.959 124 HG SER 18 HG SER 18 -3.224 9.717 2.304 125 H PHE 19 H PHE 19 -2.714 5.853 4.627 126 HA PHE 19 HA PHE 19 -4.881 3.978 4.753 127 1HB PHE 19 1HB PHE 19 -2.814 3.195 3.135 128 2HB PHE 19 2HB PHE 19 -2.342 2.488 4.673 129 HD1 PHE 19 HD1 PHE 19 -2.611 0.242 4.228 130 HD2 PHE 19 HD2 PHE 19 -5.809 2.916 3.397 131 HE1 PHE 19 HE1 PHE 19 -4.084 -1.673 3.783 132 HE2 PHE 19 HE2 PHE 19 -7.292 1.000 2.959 133 HZ PHE 19 HZ PHE 19 -6.430 -1.295 3.147 134 H ARG 20 H ARG 20 -4.666 2.491 6.645 135 HA ARG 20 HA ARG 20 -2.911 3.610 8.718 136 1HB ARG 20 1HB ARG 20 -4.643 3.765 10.295 137 2HB ARG 20 2HB ARG 20 -5.315 4.434 8.818 138 1HG ARG 20 1HG ARG 20 -5.843 1.711 9.979 139 2HG ARG 20 2HG ARG 20 -6.959 3.072 9.903 140 1HD ARG 20 1HD ARG 20 -5.877 1.449 7.616 141 2HD ARG 20 2HD ARG 20 -7.544 1.538 8.171 142 HE ARG 20 HE ARG 20 -6.239 3.321 6.375 143 1HH1 ARG 20 1HH1 ARG 20 -8.686 3.180 8.855 144 2HH1 ARG 20 2HH1 ARG 20 -9.578 4.524 8.223 145 1HH2 ARG 20 1HH2 ARG 20 -7.402 5.070 5.537 146 2HH2 ARG 20 2HH2 ARG 20 -8.847 5.601 6.331 147 H LYS 21 H LYS 21 -2.521 2.243 10.559 148 HA LYS 21 HA LYS 21 -1.661 -0.319 9.901 149 1HB LYS 21 1HB LYS 21 -1.088 -0.603 12.154 150 2HB LYS 21 2HB LYS 21 -0.923 1.112 11.839 151 1HG LYS 21 1HG LYS 21 -1.981 1.174 13.851 152 2HG LYS 21 2HG LYS 21 -3.374 1.206 12.772 153 1HD LYS 21 1HD LYS 21 -3.702 -0.359 14.624 154 2HD LYS 21 2HD LYS 21 -3.677 -1.199 13.080 155 1HE LYS 21 1HE LYS 21 -1.129 -1.489 13.635 156 2HE LYS 21 2HE LYS 21 -1.675 -1.211 15.286 157 1HZ LYS 21 1HZ LYS 21 -2.064 -3.507 13.578 158 2HZ LYS 21 2HZ LYS 21 -3.452 -3.020 14.413 159 3HZ LYS 21 3HZ LYS 21 -2.043 -3.403 15.267 160 H GLY 22 H GLY 22 -2.493 -2.283 9.912 161 1HA GLY 22 1HA GLY 22 -3.927 -4.006 10.632 162 2HA GLY 22 2HA GLY 22 -5.051 -2.796 11.221 163 H GLN 23 H GLN 23 -4.645 -1.435 8.432 164 HA GLN 23 HA GLN 23 -6.931 -2.739 7.297 165 1HB GLN 23 1HB GLN 23 -6.126 -0.195 7.270 166 2HB GLN 23 2HB GLN 23 -5.477 -0.704 5.731 167 1HG GLN 23 1HG GLN 23 -7.555 0.109 5.167 168 2HG GLN 23 2HG GLN 23 -7.852 -1.622 5.294 169 1HE2 GLN 23 1HE2 GLN 23 -8.394 -2.247 7.699 170 2HE2 GLN 23 2HE2 GLN 23 -9.605 -1.269 8.436 171 H ILE 24 H ILE 24 -7.122 -3.405 5.040 172 HA ILE 24 HA ILE 24 -4.668 -4.764 4.186 173 HB ILE 24 HB ILE 24 -6.593 -6.193 4.728 174 1HG1 ILE 24 1HG1 ILE 24 -6.670 -7.105 2.140 175 2HG1 ILE 24 2HG1 ILE 24 -5.193 -6.145 2.149 176 1HG2 ILE 24 1HG2 ILE 24 -8.118 -5.670 2.322 177 2HG2 ILE 24 2HG2 ILE 24 -8.080 -4.276 3.401 178 3HG2 ILE 24 3HG2 ILE 24 -8.659 -5.834 3.992 179 1HD1 ILE 24 1HD1 ILE 24 -4.708 -7.478 4.346 180 2HD1 ILE 24 2HD1 ILE 24 -4.391 -8.194 2.766 181 3HD1 ILE 24 3HD1 ILE 24 -5.855 -8.623 3.651 182 H LEU 25 H LEU 25 -3.597 -3.714 2.685 183 HA LEU 25 HA LEU 25 -5.023 -2.195 0.627 184 1HB LEU 25 1HB LEU 25 -2.690 -1.420 0.049 185 2HB LEU 25 2HB LEU 25 -3.314 -0.923 1.604 186 HG LEU 25 HG LEU 25 -1.817 -3.397 1.827 187 1HD1 LEU 25 1HD1 LEU 25 0.008 -2.980 0.631 188 2HD1 LEU 25 2HD1 LEU 25 0.189 -1.415 1.417 189 3HD1 LEU 25 3HD1 LEU 25 -0.778 -1.557 -0.045 190 1HD2 LEU 25 1HD2 LEU 25 -2.197 -2.216 3.795 191 2HD2 LEU 25 2HD2 LEU 25 -1.757 -0.675 3.058 192 3HD2 LEU 25 3HD2 LEU 25 -0.513 -1.863 3.414 193 H LYS 26 H LYS 26 -5.033 -2.805 -1.519 194 HA LYS 26 HA LYS 26 -3.906 -5.421 -2.159 195 1HB LYS 26 1HB LYS 26 -6.299 -4.750 -2.675 196 2HB LYS 26 2HB LYS 26 -5.638 -3.701 -3.923 197 1HG LYS 26 1HG LYS 26 -5.831 -5.447 -5.283 198 2HG LYS 26 2HG LYS 26 -4.425 -6.108 -4.448 199 1HD LYS 26 1HD LYS 26 -6.083 -7.094 -2.783 200 2HD LYS 26 2HD LYS 26 -7.335 -6.689 -3.958 201 1HE LYS 26 1HE LYS 26 -6.891 -8.548 -5.087 202 2HE LYS 26 2HE LYS 26 -5.228 -8.016 -5.330 203 1HZ LYS 26 1HZ LYS 26 -4.532 -9.556 -3.922 204 2HZ LYS 26 2HZ LYS 26 -6.113 -10.146 -3.794 205 3HZ LYS 26 3HZ LYS 26 -5.553 -8.986 -2.700 206 H ILE 27 H ILE 27 -2.117 -5.710 -3.306 207 HA ILE 27 HA ILE 27 -0.821 -3.414 -4.541 208 HB ILE 27 HB ILE 27 0.265 -6.215 -4.474 209 1HG1 ILE 27 1HG1 ILE 27 0.993 -4.195 -2.389 210 2HG1 ILE 27 2HG1 ILE 27 -0.457 -5.169 -2.172 211 1HG2 ILE 27 1HG2 ILE 27 2.427 -5.005 -4.505 212 2HG2 ILE 27 2HG2 ILE 27 1.537 -3.492 -4.664 213 3HG2 ILE 27 3HG2 ILE 27 1.435 -4.712 -5.933 214 1HD1 ILE 27 1HD1 ILE 27 0.888 -7.198 -2.371 215 2HD1 ILE 27 2HD1 ILE 27 1.432 -6.175 -1.050 216 3HD1 ILE 27 3HD1 ILE 27 2.335 -6.212 -2.558 217 H LEU 28 H LEU 28 -0.888 -2.990 -6.602 218 HA LEU 28 HA LEU 28 -1.736 -5.057 -8.544 219 1HB LEU 28 1HB LEU 28 -2.041 -2.060 -8.659 220 2HB LEU 28 2HB LEU 28 -2.473 -3.169 -9.946 221 HG LEU 28 HG LEU 28 -3.711 -3.320 -7.205 222 1HD1 LEU 28 1HD1 LEU 28 -4.105 -1.097 -8.224 223 2HD1 LEU 28 2HD1 LEU 28 -5.575 -2.052 -8.033 224 3HD1 LEU 28 3HD1 LEU 28 -4.821 -1.902 -9.620 225 1HD2 LEU 28 1HD2 LEU 28 -4.209 -4.586 -9.864 226 2HD2 LEU 28 2HD2 LEU 28 -5.547 -4.351 -8.738 227 3HD2 LEU 28 3HD2 LEU 28 -4.154 -5.322 -8.261 228 H ASN 29 H ASN 29 0.469 -2.420 -7.848 229 HA ASN 29 HA ASN 29 2.440 -3.578 -9.645 230 1HB ASN 29 1HB ASN 29 2.800 -1.002 -10.372 231 2HB ASN 29 2HB ASN 29 1.915 -2.194 -11.314 232 1HD2 ASN 29 1HD2 ASN 29 1.813 0.843 -10.493 233 2HD2 ASN 29 2HD2 ASN 29 0.116 1.107 -10.357 234 H MET 30 H MET 30 4.472 -3.328 -8.834 235 HA MET 30 HA MET 30 4.732 -1.805 -6.354 236 1HB MET 30 1HB MET 30 6.874 -3.029 -6.090 237 2HB MET 30 2HB MET 30 5.488 -4.099 -6.239 238 1HG MET 30 1HG MET 30 6.060 -4.369 -8.656 239 2HG MET 30 2HG MET 30 7.541 -3.466 -8.343 240 1HE MET 30 1HE MET 30 6.002 -6.370 -8.970 241 2HE MET 30 2HE MET 30 6.473 -7.671 -7.875 242 3HE MET 30 3HE MET 30 7.551 -7.185 -9.185 243 H GLU 31 H GLU 31 5.041 -1.083 -9.481 244 HA GLU 31 HA GLU 31 5.890 0.703 -10.517 245 1HB GLU 31 1HB GLU 31 7.543 1.140 -8.030 246 2HB GLU 31 2HB GLU 31 7.403 2.249 -9.382 247 1HG GLU 31 1HG GLU 31 5.141 1.402 -7.587 248 2HG GLU 31 2HG GLU 31 6.024 2.925 -7.486 249 H ASP 32 H ASP 32 8.872 1.172 -9.584 250 HA ASP 32 HA ASP 32 9.964 -0.832 -11.376 251 1HB ASP 32 1HB ASP 32 10.406 1.979 -11.398 252 2HB ASP 32 2HB ASP 32 11.940 1.196 -11.024 253 H ASP 33 H ASP 33 9.523 -0.869 -8.338 254 HA ASP 33 HA ASP 33 10.457 -2.230 -6.770 255 1HB ASP 33 1HB ASP 33 12.787 -2.418 -8.704 256 2HB ASP 33 2HB ASP 33 12.725 -3.252 -7.160 257 H SER 34 H SER 34 10.301 0.009 -5.881 258 HA SER 34 HA SER 34 12.879 0.712 -4.768 259 1HB SER 34 1HB SER 34 12.806 3.046 -5.398 260 2HB SER 34 2HB SER 34 12.673 2.062 -6.852 261 HG SER 34 HG SER 34 11.094 3.956 -6.255 262 H ASN 35 H ASN 35 11.591 3.355 -4.057 263 HA ASN 35 HA ASN 35 10.691 2.498 -1.440 264 1HB ASN 35 1HB ASN 35 12.045 4.694 -2.342 265 2HB ASN 35 2HB ASN 35 10.465 5.346 -1.919 266 1HD2 ASN 35 1HD2 ASN 35 9.953 5.615 0.166 267 2HD2 ASN 35 2HD2 ASN 35 10.961 5.159 1.493 268 H TRP 36 H TRP 36 8.990 3.707 -4.260 269 HA TRP 36 HA TRP 36 6.583 3.879 -2.568 270 1HB TRP 36 1HB TRP 36 7.255 5.161 -5.218 271 2HB TRP 36 2HB TRP 36 5.620 5.145 -4.557 272 HD1 TRP 36 HD1 TRP 36 8.832 7.035 -4.386 273 HE1 TRP 36 HE1 TRP 36 8.684 8.873 -2.591 274 HE3 TRP 36 HE3 TRP 36 4.499 5.584 -2.088 275 HZ2 TRP 36 HZ2 TRP 36 6.962 9.609 -0.479 276 HZ3 TRP 36 HZ3 TRP 36 3.671 6.912 -0.191 277 HH2 TRP 36 HH2 TRP 36 4.878 8.882 0.599 278 H TYR 37 H TYR 37 4.896 2.516 -2.945 279 HA TYR 37 HA TYR 37 5.017 0.725 -5.290 280 1HB TYR 37 1HB TYR 37 4.417 0.181 -2.400 281 2HB TYR 37 2HB TYR 37 3.628 -0.795 -3.629 282 HD1 TYR 37 HD1 TYR 37 4.944 -2.503 -2.081 283 HD2 TYR 37 HD2 TYR 37 6.779 0.120 -4.885 284 HE1 TYR 37 HE1 TYR 37 6.910 -3.973 -2.164 285 HE2 TYR 37 HE2 TYR 37 8.748 -1.345 -4.975 286 HH TYR 37 HH TYR 37 9.597 -3.421 -2.851 287 H ARG 38 H ARG 38 2.937 0.089 -6.174 288 HA ARG 38 HA ARG 38 0.871 2.103 -5.626 289 1HB ARG 38 1HB ARG 38 1.820 0.766 -8.051 290 2HB ARG 38 2HB ARG 38 0.069 0.842 -7.929 291 1HG ARG 38 1HG ARG 38 1.687 3.300 -7.468 292 2HG ARG 38 2HG ARG 38 1.385 2.744 -9.104 293 1HD ARG 38 1HD ARG 38 -0.880 3.016 -7.174 294 2HD ARG 38 2HD ARG 38 -0.231 4.443 -7.985 295 HE ARG 38 HE ARG 38 -0.916 2.220 -9.706 296 1HH1 ARG 38 1HH1 ARG 38 -1.942 5.226 -8.277 297 2HH1 ARG 38 2HH1 ARG 38 -3.140 5.536 -9.486 298 1HH2 ARG 38 1HH2 ARG 38 -2.496 2.592 -11.274 299 2HH2 ARG 38 2HH2 ARG 38 -3.478 4.016 -11.183 300 H ALA 39 H ALA 39 -1.012 1.583 -4.713 301 HA ALA 39 HA ALA 39 -1.978 -1.176 -4.959 302 1HB ALA 39 1HB ALA 39 -2.194 -1.570 -2.715 303 2HB ALA 39 2HB ALA 39 -2.271 0.142 -2.309 304 3HB ALA 39 3HB ALA 39 -0.727 -0.597 -2.731 305 H GLU 40 H GLU 40 -4.248 -1.393 -4.145 306 HA GLU 40 HA GLU 40 -5.842 1.004 -4.810 307 1HB GLU 40 1HB GLU 40 -5.958 -0.929 -6.443 308 2HB GLU 40 2HB GLU 40 -6.665 -1.888 -5.151 309 1HG GLU 40 1HG GLU 40 -8.194 0.427 -5.213 310 2HG GLU 40 2HG GLU 40 -7.895 0.042 -6.907 311 H LEU 41 H LEU 41 -7.439 1.602 -3.386 312 HA LEU 41 HA LEU 41 -8.318 -0.248 -1.331 313 1HB LEU 41 1HB LEU 41 -7.017 0.589 0.269 314 2HB LEU 41 2HB LEU 41 -6.361 1.779 -0.831 315 HG LEU 41 HG LEU 41 -8.451 3.175 -0.255 316 1HD1 LEU 41 1HD1 LEU 41 -8.483 1.853 2.371 317 2HD1 LEU 41 2HD1 LEU 41 -9.276 0.974 1.067 318 3HD1 LEU 41 3HD1 LEU 41 -9.787 2.612 1.467 319 1HD2 LEU 41 1HD2 LEU 41 -5.966 2.735 1.210 320 2HD2 LEU 41 2HD2 LEU 41 -7.230 3.531 2.147 321 3HD2 LEU 41 3HD2 LEU 41 -6.694 4.225 0.631 322 H ASP 42 H ASP 42 -10.399 -0.046 -0.964 323 HA ASP 42 HA ASP 42 -12.555 0.532 -1.303 324 1HB ASP 42 1HB ASP 42 -13.251 2.725 -0.620 325 2HB ASP 42 2HB ASP 42 -11.945 2.202 0.436 326 H GLY 43 H GLY 43 -10.878 0.385 -3.659 327 1HA GLY 43 1HA GLY 43 -11.437 0.544 -5.918 328 2HA GLY 43 2HA GLY 43 -12.719 1.662 -5.491 329 H LYS 44 H LYS 44 -9.659 2.487 -4.200 330 HA LYS 44 HA LYS 44 -9.270 4.465 -6.353 331 1HB LYS 44 1HB LYS 44 -10.063 5.414 -4.193 332 2HB LYS 44 2HB LYS 44 -8.642 4.739 -3.408 333 1HG LYS 44 1HG LYS 44 -8.374 7.118 -3.874 334 2HG LYS 44 2HG LYS 44 -7.197 6.146 -4.755 335 1HD LYS 44 1HD LYS 44 -9.198 6.282 -6.573 336 2HD LYS 44 2HD LYS 44 -9.382 7.837 -5.758 337 1HE LYS 44 1HE LYS 44 -7.474 8.649 -6.620 338 2HE LYS 44 2HE LYS 44 -6.614 7.133 -6.377 339 1HZ LYS 44 1HZ LYS 44 -6.949 7.855 -8.749 340 2HZ LYS 44 2HZ LYS 44 -8.590 7.493 -8.547 341 3HZ LYS 44 3HZ LYS 44 -7.431 6.276 -8.384 342 H GLU 45 H GLU 45 -7.195 4.735 -7.135 343 HA GLU 45 HA GLU 45 -5.169 2.900 -6.050 344 1HB GLU 45 1HB GLU 45 -4.065 3.085 -8.290 345 2HB GLU 45 2HB GLU 45 -5.662 2.352 -8.348 346 1HG GLU 45 1HG GLU 45 -6.120 5.066 -8.719 347 2HG GLU 45 2HG GLU 45 -4.672 4.725 -9.652 348 H GLY 46 H GLY 46 -3.109 3.557 -5.690 349 1HA GLY 46 1HA GLY 46 -2.041 6.120 -6.170 350 2HA GLY 46 2HA GLY 46 -2.808 6.110 -4.586 351 H LEU 47 H LEU 47 -0.026 6.451 -5.225 352 HA LEU 47 HA LEU 47 1.480 4.129 -4.598 353 1HB LEU 47 1HB LEU 47 1.996 7.024 -4.855 354 2HB LEU 47 2HB LEU 47 3.118 6.135 -3.851 355 HG LEU 47 HG LEU 47 4.221 6.024 -5.832 356 1HD1 LEU 47 1HD1 LEU 47 3.867 3.730 -5.232 357 2HD1 LEU 47 2HD1 LEU 47 3.805 3.887 -6.988 358 3HD1 LEU 47 3HD1 LEU 47 2.316 3.711 -6.064 359 1HD2 LEU 47 1HD2 LEU 47 3.333 6.313 -7.951 360 2HD2 LEU 47 2HD2 LEU 47 2.258 7.269 -6.931 361 3HD2 LEU 47 3HD2 LEU 47 1.755 5.674 -7.488 362 H ILE 48 H ILE 48 2.678 3.711 -2.736 363 HA ILE 48 HA ILE 48 1.737 4.902 -0.201 364 HB ILE 48 HB ILE 48 2.116 1.935 -0.605 365 1HG1 ILE 48 1HG1 ILE 48 -0.472 3.485 -0.430 366 2HG1 ILE 48 2HG1 ILE 48 0.184 2.767 -1.897 367 1HG2 ILE 48 1HG2 ILE 48 1.424 1.630 1.570 368 2HG2 ILE 48 2HG2 ILE 48 0.629 3.187 1.646 369 3HG2 ILE 48 3HG2 ILE 48 2.379 3.097 1.698 370 1HD1 ILE 48 1HD1 ILE 48 -0.092 0.909 0.344 371 2HD1 ILE 48 2HD1 ILE 48 -0.524 0.723 -1.352 372 3HD1 ILE 48 3HD1 ILE 48 -1.608 1.579 -0.257 373 HA PRO 49 HA PRO 49 6.096 4.865 0.476 374 1HB PRO 49 1HB PRO 49 6.251 5.165 3.202 375 2HB PRO 49 2HB PRO 49 5.864 6.499 2.107 376 1HG PRO 49 1HG PRO 49 4.022 4.793 3.732 377 2HG PRO 49 2HG PRO 49 3.970 6.540 3.456 378 1HD PRO 49 1HD PRO 49 2.376 4.788 2.125 379 2HD PRO 49 2HD PRO 49 2.932 6.309 1.412 380 H SER 50 H SER 50 7.133 3.036 0.229 381 HA SER 50 HA SER 50 6.287 0.523 0.896 382 1HB SER 50 1HB SER 50 8.146 1.277 -0.727 383 2HB SER 50 2HB SER 50 9.222 1.080 0.656 384 HG SER 50 HG SER 50 8.885 -1.044 0.640 385 H ASN 51 H ASN 51 8.022 2.613 2.955 386 HA ASN 51 HA ASN 51 8.878 0.629 4.852 387 1HB ASN 51 1HB ASN 51 8.542 3.532 5.532 388 2HB ASN 51 2HB ASN 51 9.740 2.389 6.127 389 1HD2 ASN 51 1HD2 ASN 51 11.684 2.797 5.420 390 2HD2 ASN 51 2HD2 ASN 51 12.101 3.447 3.874 391 H TYR 52 H TYR 52 5.914 2.330 4.336 392 HA TYR 52 HA TYR 52 4.996 1.837 7.077 393 1HB TYR 52 1HB TYR 52 3.684 3.271 4.767 394 2HB TYR 52 2HB TYR 52 2.965 3.081 6.356 395 HD1 TYR 52 HD1 TYR 52 6.559 3.654 6.290 396 HD2 TYR 52 HD2 TYR 52 2.762 5.552 6.380 397 HE1 TYR 52 HE1 TYR 52 7.630 5.743 7.005 398 HE2 TYR 52 HE2 TYR 52 3.817 7.651 7.094 399 HH TYR 52 HH TYR 52 5.830 8.742 7.259 400 H ILE 53 H ILE 53 5.257 -0.043 4.471 401 HA ILE 53 HA ILE 53 2.818 -1.545 5.117 402 HB ILE 53 HB ILE 53 2.248 -0.428 3.110 403 1HG1 ILE 53 1HG1 ILE 53 1.966 -3.006 3.244 404 2HG1 ILE 53 2HG1 ILE 53 1.659 -2.183 1.733 405 1HG2 ILE 53 1HG2 ILE 53 3.583 0.102 1.374 406 2HG2 ILE 53 2HG2 ILE 53 4.541 -1.370 1.498 407 3HG2 ILE 53 3HG2 ILE 53 4.820 -0.043 2.618 408 1HD1 ILE 53 1HD1 ILE 53 3.053 -3.547 0.722 409 2HD1 ILE 53 2HD1 ILE 53 3.443 -4.315 2.257 410 3HD1 ILE 53 3HD1 ILE 53 4.374 -2.924 1.711 411 H GLU 54 H GLU 54 2.968 -3.840 4.475 412 HA GLU 54 HA GLU 54 5.671 -4.829 4.006 413 1HB GLU 54 1HB GLU 54 5.216 -6.526 5.926 414 2HB GLU 54 2HB GLU 54 5.818 -4.921 6.314 415 1HG GLU 54 1HG GLU 54 4.087 -4.575 7.637 416 2HG GLU 54 2HG GLU 54 2.983 -4.809 6.285 417 H MET 55 H MET 55 5.751 -7.087 3.470 418 HA MET 55 HA MET 55 3.942 -7.858 1.555 419 1HB MET 55 1HB MET 55 6.296 -8.866 2.588 420 2HB MET 55 2HB MET 55 5.135 -10.145 2.920 421 1HG MET 55 1HG MET 55 4.592 -10.366 0.625 422 2HG MET 55 2HG MET 55 5.472 -8.896 0.209 423 1HE MET 55 1HE MET 55 8.332 -9.151 1.669 424 2HE MET 55 2HE MET 55 7.901 -8.617 0.045 425 3HE MET 55 3HE MET 55 9.136 -9.856 0.266 426 H LYS 56 H LYS 56 2.900 -10.200 1.727 427 HA LYS 56 HA LYS 56 1.530 -10.843 4.134 428 1HB LYS 56 1HB LYS 56 0.391 -8.737 3.046 429 2HB LYS 56 2HB LYS 56 -0.350 -9.922 1.994 430 1HG LYS 56 1HG LYS 56 -0.758 -9.403 4.887 431 2HG LYS 56 2HG LYS 56 -1.938 -9.738 3.628 432 1HD LYS 56 1HD LYS 56 -0.667 -12.118 3.734 433 2HD LYS 56 2HD LYS 56 -0.447 -11.582 5.391 434 1HE LYS 56 1HE LYS 56 -2.628 -11.811 5.884 435 2HE LYS 56 2HE LYS 56 -3.152 -11.198 4.318 436 1HZ LYS 56 1HZ LYS 56 -2.310 -13.954 4.995 437 2HZ LYS 56 2HZ LYS 56 -2.449 -13.417 3.403 438 3HZ LYS 56 3HZ LYS 56 -3.807 -13.440 4.411 439 H ASN 57 H ASN 57 -0.736 -11.644 1.992 440 HA ASN 57 HA ASN 57 -1.202 -13.346 0.584 441 1HB ASN 57 1HB ASN 57 1.781 -13.478 0.440 442 2HB ASN 57 2HB ASN 57 0.809 -14.762 -0.258 443 1HD2 ASN 57 1HD2 ASN 57 2.551 -12.532 -1.302 444 2HD2 ASN 57 2HD2 ASN 57 1.605 -11.823 -2.548 445 H HIS 58 H HIS 58 1.395 -14.456 2.922 446 HA HIS 58 HA HIS 58 1.455 -16.263 4.234 447 1HB HIS 58 1HB HIS 58 -1.407 -15.482 4.221 448 2HB HIS 58 2HB HIS 58 -1.014 -17.069 4.881 449 HD1 HIS 58 HD1 HIS 58 0.947 -16.996 6.802 450 HD2 HIS 58 HD2 HIS 58 -1.048 -13.438 6.007 451 HE1 HIS 58 HE1 HIS 58 1.404 -15.511 8.778 452 HE2 HIS 58 HE2 HIS 58 0.290 -13.324 8.215 453 H ASP 59 H ASP 59 2.359 -17.447 2.480 454 HA ASP 59 HA ASP 59 2.599 -19.296 1.172 455 1HB ASP 59 1HB ASP 59 0.274 -20.033 2.905 456 2HB ASP 59 2HB ASP 59 0.702 -21.085 1.561 Start of MODEL 4 1 1H MET 1 1H MET 1 0.527 -11.374 -4.605 2 2H MET 1 2H MET 1 -0.346 -11.347 -3.131 3 3H MET 1 3H MET 1 0.874 -10.176 -3.431 4 HA MET 1 HA MET 1 -0.372 -9.128 -5.046 5 1HB MET 1 1HB MET 1 -1.436 -11.726 -5.393 6 2HB MET 1 2HB MET 1 -2.795 -10.723 -4.902 7 1HG MET 1 1HG MET 1 -2.628 -9.353 -6.765 8 2HG MET 1 2HG MET 1 -0.964 -9.831 -7.090 9 1HE MET 1 1HE MET 1 -3.999 -10.089 -9.243 10 2HE MET 1 2HE MET 1 -2.829 -10.946 -10.247 11 3HE MET 1 3HE MET 1 -2.335 -9.512 -9.345 12 H GLU 2 H GLU 2 -0.927 -10.271 -1.953 13 HA GLU 2 HA GLU 2 -2.747 -8.033 -1.504 14 1HB GLU 2 1HB GLU 2 -2.854 -10.749 -0.219 15 2HB GLU 2 2HB GLU 2 -3.622 -9.348 0.509 16 1HG GLU 2 1HG GLU 2 -5.402 -10.060 -0.652 17 2HG GLU 2 2HG GLU 2 -4.622 -9.194 -1.969 18 H ALA 3 H ALA 3 -2.384 -6.823 0.412 19 HA ALA 3 HA ALA 3 -0.170 -7.603 2.161 20 1HB ALA 3 1HB ALA 3 0.434 -4.973 1.768 21 2HB ALA 3 2HB ALA 3 -0.023 -5.490 0.145 22 3HB ALA 3 3HB ALA 3 1.263 -6.329 1.008 23 H ILE 4 H ILE 4 0.153 -5.969 3.924 24 HA ILE 4 HA ILE 4 -2.338 -4.611 4.647 25 HB ILE 4 HB ILE 4 -2.730 -5.609 6.631 26 1HG1 ILE 4 1HG1 ILE 4 -0.372 -5.114 7.518 27 2HG1 ILE 4 2HG1 ILE 4 -1.223 -6.486 8.202 28 1HG2 ILE 4 1HG2 ILE 4 -3.151 -7.688 6.040 29 2HG2 ILE 4 2HG2 ILE 4 -1.445 -8.120 6.024 30 3HG2 ILE 4 3HG2 ILE 4 -2.184 -7.401 4.600 31 1HD1 ILE 4 1HD1 ILE 4 0.330 -7.339 5.982 32 2HD1 ILE 4 2HD1 ILE 4 0.432 -7.824 7.674 33 3HD1 ILE 4 3HD1 ILE 4 1.330 -6.426 7.099 34 H ALA 5 H ALA 5 -2.179 -2.794 5.848 35 HA ALA 5 HA ALA 5 0.319 -1.425 5.824 36 1HB ALA 5 1HB ALA 5 -1.388 0.047 5.508 37 2HB ALA 5 2HB ALA 5 -1.154 0.243 7.240 38 3HB ALA 5 3HB ALA 5 -2.463 -0.773 6.638 39 H LYS 6 H LYS 6 1.858 -1.465 7.299 40 HA LYS 6 HA LYS 6 1.347 -2.618 9.950 41 1HB LYS 6 1HB LYS 6 3.388 -3.446 9.432 42 2HB LYS 6 2HB LYS 6 3.693 -2.209 8.230 43 1HG LYS 6 1HG LYS 6 4.108 -0.729 10.391 44 2HG LYS 6 2HG LYS 6 4.443 -2.310 11.098 45 1HD LYS 6 1HD LYS 6 5.807 -2.431 8.726 46 2HD LYS 6 2HD LYS 6 5.990 -0.735 9.175 47 1HE LYS 6 1HE LYS 6 7.214 -1.216 11.040 48 2HE LYS 6 2HE LYS 6 6.442 -2.783 11.277 49 1HZ LYS 6 1HZ LYS 6 7.694 -3.374 9.103 50 2HZ LYS 6 2HZ LYS 6 8.530 -3.374 10.573 51 3HZ LYS 6 3HZ LYS 6 8.683 -2.064 9.515 52 H HIS 7 H HIS 7 1.545 0.425 8.463 53 HA HIS 7 HA HIS 7 0.973 1.716 10.976 54 1HB HIS 7 1HB HIS 7 3.504 2.288 9.460 55 2HB HIS 7 2HB HIS 7 2.752 3.511 10.483 56 HD1 HIS 7 HD1 HIS 7 1.949 1.927 12.918 57 HD2 HIS 7 HD2 HIS 7 5.567 1.343 10.959 58 HE1 HIS 7 HE1 HIS 7 3.465 0.854 14.613 59 HE2 HIS 7 HE2 HIS 7 5.605 0.395 13.366 60 H ASP 8 H ASP 8 0.891 4.194 10.491 61 HA ASP 8 HA ASP 8 -1.211 4.412 8.553 62 1HB ASP 8 1HB ASP 8 -0.053 6.735 10.087 63 2HB ASP 8 2HB ASP 8 -1.706 6.509 9.526 64 H PHE 9 H PHE 9 -1.248 5.651 6.670 65 HA PHE 9 HA PHE 9 1.279 6.910 5.945 66 1HB PHE 9 1HB PHE 9 1.694 5.019 4.720 67 2HB PHE 9 2HB PHE 9 -0.006 4.611 4.576 68 HD1 PHE 9 HD1 PHE 9 2.054 7.531 3.460 69 HD2 PHE 9 HD2 PHE 9 -0.600 4.383 2.378 70 HE1 PHE 9 HE1 PHE 9 2.072 8.316 1.130 71 HE2 PHE 9 HE2 PHE 9 -0.567 5.173 0.046 72 HZ PHE 9 HZ PHE 9 0.751 7.135 -0.574 73 H SER 10 H SER 10 1.028 8.845 5.160 74 HA SER 10 HA SER 10 -1.439 9.551 3.710 75 1HB SER 10 1HB SER 10 0.278 11.489 5.302 76 2HB SER 10 2HB SER 10 -1.319 11.789 4.618 77 HG SER 10 HG SER 10 -1.027 9.733 6.501 78 H ALA 11 H ALA 11 -1.189 10.049 1.743 79 HA ALA 11 HA ALA 11 1.075 9.627 0.264 80 1HB ALA 11 1HB ALA 11 -0.828 9.624 -0.972 81 2HB ALA 11 2HB ALA 11 -0.170 11.203 -1.401 82 3HB ALA 11 3HB ALA 11 -1.463 11.082 -0.209 83 H THR 12 H THR 12 2.720 10.693 -0.459 84 HA THR 12 HA THR 12 3.073 13.457 0.442 85 HB THR 12 HB THR 12 5.010 11.161 0.141 86 HG1 THR 12 HG1 THR 12 4.035 11.648 2.159 87 1HG2 THR 12 1HG2 THR 12 6.359 13.591 0.890 88 2HG2 THR 12 2HG2 THR 12 5.724 13.713 -0.741 89 3HG2 THR 12 3HG2 THR 12 6.795 12.387 -0.318 90 H ALA 13 H ALA 13 2.033 11.962 -2.116 91 HA ALA 13 HA ALA 13 2.812 14.115 -3.892 92 1HB ALA 13 1HB ALA 13 3.446 11.217 -4.425 93 2HB ALA 13 2HB ALA 13 4.560 12.579 -4.408 94 3HB ALA 13 3HB ALA 13 3.366 12.430 -5.696 95 H ASP 14 H ASP 14 1.541 14.051 -5.856 96 HA ASP 14 HA ASP 14 -1.179 13.828 -5.289 97 1HB ASP 14 1HB ASP 14 -0.221 15.415 -6.899 98 2HB ASP 14 2HB ASP 14 0.125 14.084 -7.997 99 H ASP 15 H ASP 15 0.942 11.542 -6.805 100 HA ASP 15 HA ASP 15 -1.278 9.966 -7.800 101 1HB ASP 15 1HB ASP 15 1.489 10.303 -8.443 102 2HB ASP 15 2HB ASP 15 1.145 8.595 -8.191 103 H GLU 16 H GLU 16 -0.487 10.194 -4.824 104 HA GLU 16 HA GLU 16 -0.210 7.332 -4.215 105 1HB GLU 16 1HB GLU 16 0.614 9.783 -2.696 106 2HB GLU 16 2HB GLU 16 0.513 8.199 -1.946 107 1HG GLU 16 1HG GLU 16 2.209 7.334 -3.349 108 2HG GLU 16 2HG GLU 16 2.191 8.768 -4.369 109 H LEU 17 H LEU 17 -1.192 6.635 -2.171 110 HA LEU 17 HA LEU 17 -3.849 7.880 -1.863 111 1HB LEU 17 1HB LEU 17 -4.552 5.588 -1.021 112 2HB LEU 17 2HB LEU 17 -4.271 5.774 -2.734 113 HG LEU 17 HG LEU 17 -1.913 4.836 -2.230 114 1HD1 LEU 17 1HD1 LEU 17 -2.430 5.048 0.299 115 2HD1 LEU 17 2HD1 LEU 17 -1.586 3.639 -0.289 116 3HD1 LEU 17 3HD1 LEU 17 -3.285 3.535 0.082 117 1HD2 LEU 17 1HD2 LEU 17 -3.965 2.747 -1.802 118 2HD2 LEU 17 2HD2 LEU 17 -2.644 2.819 -2.961 119 3HD2 LEU 17 3HD2 LEU 17 -4.118 3.745 -3.246 120 H SER 18 H SER 18 -4.379 6.102 0.541 121 HA SER 18 HA SER 18 -2.448 6.953 2.501 122 1HB SER 18 1HB SER 18 -5.099 8.252 2.193 123 2HB SER 18 2HB SER 18 -4.646 7.786 3.832 124 HG SER 18 HG SER 18 -3.569 9.590 3.794 125 H PHE 19 H PHE 19 -2.790 5.826 4.548 126 HA PHE 19 HA PHE 19 -4.932 3.921 4.787 127 1HB PHE 19 1HB PHE 19 -2.843 3.133 3.192 128 2HB PHE 19 2HB PHE 19 -2.359 2.496 4.756 129 HD1 PHE 19 HD1 PHE 19 -5.753 2.795 3.278 130 HD2 PHE 19 HD2 PHE 19 -2.652 0.226 4.578 131 HE1 PHE 19 HE1 PHE 19 -7.220 0.844 2.914 132 HE2 PHE 19 HE2 PHE 19 -4.092 -1.730 4.230 133 HZ PHE 19 HZ PHE 19 -6.386 -1.422 3.389 134 H ARG 20 H ARG 20 -4.696 2.575 6.741 135 HA ARG 20 HA ARG 20 -3.020 3.865 8.782 136 1HB ARG 20 1HB ARG 20 -5.757 4.006 8.637 137 2HB ARG 20 2HB ARG 20 -5.519 2.657 9.737 138 1HG ARG 20 1HG ARG 20 -4.929 4.000 11.404 139 2HG ARG 20 2HG ARG 20 -3.803 4.890 10.381 140 1HD ARG 20 1HD ARG 20 -6.695 5.372 9.973 141 2HD ARG 20 2HD ARG 20 -5.965 6.018 11.439 142 HE ARG 20 HE ARG 20 -5.424 6.842 8.701 143 1HH1 ARG 20 1HH1 ARG 20 -4.561 7.078 12.082 144 2HH1 ARG 20 2HH1 ARG 20 -3.685 8.556 11.880 145 1HH2 ARG 20 1HH2 ARG 20 -4.268 8.784 8.441 146 2HH2 ARG 20 2HH2 ARG 20 -3.518 9.525 9.816 147 H LYS 21 H LYS 21 -2.475 2.569 10.618 148 HA LYS 21 HA LYS 21 -1.401 0.067 10.046 149 1HB LYS 21 1HB LYS 21 -0.345 0.684 11.894 150 2HB LYS 21 2HB LYS 21 -1.573 1.869 12.268 151 1HG LYS 21 1HG LYS 21 -1.985 -1.011 12.975 152 2HG LYS 21 2HG LYS 21 -0.972 0.024 13.977 153 1HD LYS 21 1HD LYS 21 -3.912 0.258 13.422 154 2HD LYS 21 2HD LYS 21 -3.094 0.109 14.969 155 1HE LYS 21 1HE LYS 21 -3.102 2.505 13.138 156 2HE LYS 21 2HE LYS 21 -3.896 2.361 14.702 157 1HZ LYS 21 1HZ LYS 21 -1.106 2.872 14.086 158 2HZ LYS 21 2HZ LYS 21 -1.386 1.826 15.385 159 3HZ LYS 21 3HZ LYS 21 -2.040 3.385 15.400 160 H GLY 22 H GLY 22 -2.121 -1.950 10.061 161 1HA GLY 22 1HA GLY 22 -3.446 -3.755 10.783 162 2HA GLY 22 2HA GLY 22 -4.632 -2.618 11.393 163 H GLN 23 H GLN 23 -4.309 -1.279 8.529 164 HA GLN 23 HA GLN 23 -6.566 -2.722 7.491 165 1HB GLN 23 1HB GLN 23 -5.118 -0.445 6.169 166 2HB GLN 23 2HB GLN 23 -6.740 -1.026 5.813 167 1HG GLN 23 1HG GLN 23 -7.162 -0.465 8.327 168 2HG GLN 23 2HG GLN 23 -5.755 0.572 8.122 169 1HE2 GLN 23 1HE2 GLN 23 -5.914 2.377 6.851 170 2HE2 GLN 23 2HE2 GLN 23 -7.401 3.003 6.262 171 H ILE 24 H ILE 24 -6.787 -3.290 5.182 172 HA ILE 24 HA ILE 24 -4.383 -4.733 4.312 173 HB ILE 24 HB ILE 24 -6.302 -6.118 4.827 174 1HG1 ILE 24 1HG1 ILE 24 -4.689 -6.608 2.868 175 2HG1 ILE 24 2HG1 ILE 24 -6.163 -7.524 2.977 176 1HG2 ILE 24 1HG2 ILE 24 -7.825 -4.929 2.538 177 2HG2 ILE 24 2HG2 ILE 24 -7.949 -4.269 4.165 178 3HG2 ILE 24 3HG2 ILE 24 -8.404 -5.935 3.857 179 1HD1 ILE 24 1HD1 ILE 24 -6.686 -6.963 0.918 180 2HD1 ILE 24 2HD1 ILE 24 -5.202 -6.017 0.810 181 3HD1 ILE 24 3HD1 ILE 24 -6.689 -5.261 1.373 182 H LEU 25 H LEU 25 -3.271 -3.650 2.830 183 HA LEU 25 HA LEU 25 -4.632 -2.094 0.750 184 1HB LEU 25 1HB LEU 25 -1.974 -2.101 2.000 185 2HB LEU 25 2HB LEU 25 -1.923 -1.909 0.261 186 HG LEU 25 HG LEU 25 -3.359 -0.128 2.203 187 1HD1 LEU 25 1HD1 LEU 25 -0.740 -0.138 1.710 188 2HD1 LEU 25 2HD1 LEU 25 -1.654 1.333 2.045 189 3HD1 LEU 25 3HD1 LEU 25 -1.297 0.875 0.388 190 1HD2 LEU 25 1HD2 LEU 25 -3.291 1.129 -0.241 191 2HD2 LEU 25 2HD2 LEU 25 -4.694 0.398 0.531 192 3HD2 LEU 25 3HD2 LEU 25 -3.744 -0.532 -0.623 193 H LYS 26 H LYS 26 -4.665 -2.741 -1.409 194 HA LYS 26 HA LYS 26 -3.655 -5.423 -1.958 195 1HB LYS 26 1HB LYS 26 -5.630 -3.611 -3.273 196 2HB LYS 26 2HB LYS 26 -4.912 -4.909 -4.209 197 1HG LYS 26 1HG LYS 26 -6.547 -5.169 -1.696 198 2HG LYS 26 2HG LYS 26 -7.021 -5.632 -3.332 199 1HD LYS 26 1HD LYS 26 -4.555 -6.837 -2.168 200 2HD LYS 26 2HD LYS 26 -6.122 -7.419 -1.611 201 1HE LYS 26 1HE LYS 26 -5.462 -7.200 -4.531 202 2HE LYS 26 2HE LYS 26 -5.021 -8.621 -3.592 203 1HZ LYS 26 1HZ LYS 26 -7.047 -9.303 -4.234 204 2HZ LYS 26 2HZ LYS 26 -7.631 -7.737 -4.495 205 3HZ LYS 26 3HZ LYS 26 -7.582 -8.370 -2.928 206 H ILE 27 H ILE 27 -1.801 -5.797 -3.001 207 HA ILE 27 HA ILE 27 -0.389 -3.594 -4.253 208 HB ILE 27 HB ILE 27 0.512 -6.468 -4.125 209 1HG1 ILE 27 1HG1 ILE 27 0.931 -4.270 -2.082 210 2HG1 ILE 27 2HG1 ILE 27 -0.006 -5.742 -1.847 211 1HG2 ILE 27 1HG2 ILE 27 1.860 -3.838 -4.630 212 2HG2 ILE 27 2HG2 ILE 27 1.869 -5.297 -5.621 213 3HG2 ILE 27 3HG2 ILE 27 2.771 -5.254 -4.105 214 1HD1 ILE 27 1HD1 ILE 27 2.970 -5.527 -2.231 215 2HD1 ILE 27 2HD1 ILE 27 2.079 -7.046 -2.167 216 3HD1 ILE 27 3HD1 ILE 27 2.108 -5.982 -0.761 217 H LEU 28 H LEU 28 -0.066 -3.310 -6.345 218 HA LEU 28 HA LEU 28 -1.059 -5.298 -8.291 219 1HB LEU 28 1HB LEU 28 -1.353 -2.666 -9.348 220 2HB LEU 28 2HB LEU 28 -2.572 -3.900 -9.116 221 HG LEU 28 HG LEU 28 -1.916 -2.441 -6.656 222 1HD1 LEU 28 1HD1 LEU 28 -2.184 -0.338 -7.300 223 2HD1 LEU 28 2HD1 LEU 28 -3.636 -0.742 -8.214 224 3HD1 LEU 28 3HD1 LEU 28 -2.050 -0.885 -8.969 225 1HD2 LEU 28 1HD2 LEU 28 -4.553 -2.787 -8.059 226 2HD2 LEU 28 2HD2 LEU 28 -4.256 -2.499 -6.345 227 3HD2 LEU 28 3HD2 LEU 28 -3.821 -4.048 -7.066 228 H ASN 29 H ASN 29 0.986 -2.526 -7.614 229 HA ASN 29 HA ASN 29 3.063 -3.558 -9.371 230 1HB ASN 29 1HB ASN 29 3.293 -1.286 -10.459 231 2HB ASN 29 2HB ASN 29 1.951 -2.292 -10.992 232 1HD2 ASN 29 1HD2 ASN 29 2.669 0.733 -10.572 233 2HD2 ASN 29 2HD2 ASN 29 1.180 1.364 -9.974 234 H MET 30 H MET 30 5.124 -2.874 -8.675 235 HA MET 30 HA MET 30 5.169 -1.447 -6.141 236 1HB MET 30 1HB MET 30 7.601 -2.074 -6.137 237 2HB MET 30 2HB MET 30 6.482 -3.429 -6.156 238 1HG MET 30 1HG MET 30 7.468 -2.449 -8.768 239 2HG MET 30 2HG MET 30 8.614 -3.297 -7.730 240 1HE MET 30 1HE MET 30 6.833 -6.350 -6.741 241 2HE MET 30 2HE MET 30 8.240 -5.293 -6.621 242 3HE MET 30 3HE MET 30 8.211 -6.591 -7.815 243 H GLU 31 H GLU 31 5.125 -0.472 -9.209 244 HA GLU 31 HA GLU 31 5.406 1.538 -10.130 245 1HB GLU 31 1HB GLU 31 5.283 2.348 -7.713 246 2HB GLU 31 2HB GLU 31 7.030 2.498 -7.805 247 1HG GLU 31 1HG GLU 31 5.960 3.729 -10.115 248 2HG GLU 31 2HG GLU 31 5.013 4.288 -8.737 249 H ASP 32 H ASP 32 8.029 2.956 -9.286 250 HA ASP 32 HA ASP 32 9.639 1.490 -11.140 251 1HB ASP 32 1HB ASP 32 9.857 4.446 -10.786 252 2HB ASP 32 2HB ASP 32 10.735 3.440 -11.936 253 H ASP 33 H ASP 33 9.572 1.511 -8.076 254 HA ASP 33 HA ASP 33 12.355 0.926 -7.922 255 1HB ASP 33 1HB ASP 33 11.673 3.549 -7.598 256 2HB ASP 33 2HB ASP 33 11.662 2.981 -5.932 257 H SER 34 H SER 34 12.980 0.255 -5.804 258 HA SER 34 HA SER 34 11.119 -1.542 -4.567 259 1HB SER 34 1HB SER 34 13.960 -0.710 -4.091 260 2HB SER 34 2HB SER 34 13.101 -1.702 -2.915 261 HG SER 34 HG SER 34 12.643 -3.131 -4.749 262 H ASN 35 H ASN 35 11.953 1.862 -3.933 263 HA ASN 35 HA ASN 35 11.173 1.500 -1.175 264 1HB ASN 35 1HB ASN 35 13.105 2.933 -1.845 265 2HB ASN 35 2HB ASN 35 11.951 4.093 -2.493 266 1HD2 ASN 35 1HD2 ASN 35 12.036 5.760 -1.159 267 2HD2 ASN 35 2HD2 ASN 35 11.848 5.686 0.556 268 H TRP 36 H TRP 36 9.292 1.934 -3.827 269 HA TRP 36 HA TRP 36 7.181 3.112 -2.175 270 1HB TRP 36 1HB TRP 36 7.878 4.024 -4.984 271 2HB TRP 36 2HB TRP 36 6.454 4.524 -4.079 272 HD1 TRP 36 HD1 TRP 36 10.016 5.433 -4.670 273 HE1 TRP 36 HE1 TRP 36 10.695 7.388 -3.140 274 HE3 TRP 36 HE3 TRP 36 5.976 5.458 -1.536 275 HZ2 TRP 36 HZ2 TRP 36 9.657 8.757 -0.900 276 HZ3 TRP 36 HZ3 TRP 36 5.895 7.124 0.270 277 HH2 TRP 36 HH2 TRP 36 7.700 8.737 0.584 278 H TYR 37 H TYR 37 5.215 2.051 -2.515 279 HA TYR 37 HA TYR 37 5.119 0.203 -4.811 280 1HB TYR 37 1HB TYR 37 4.638 -0.298 -1.920 281 2HB TYR 37 2HB TYR 37 3.594 -1.129 -3.068 282 HD1 TYR 37 HD1 TYR 37 4.269 -3.348 -3.117 283 HD2 TYR 37 HD2 TYR 37 7.234 -0.306 -3.231 284 HE1 TYR 37 HE1 TYR 37 6.006 -5.055 -3.464 285 HE2 TYR 37 HE2 TYR 37 8.975 -1.996 -3.585 286 HH TYR 37 HH TYR 37 8.618 -5.152 -2.970 287 H ARG 38 H ARG 38 3.182 -0.067 -5.852 288 HA ARG 38 HA ARG 38 1.169 1.987 -5.304 289 1HB ARG 38 1HB ARG 38 2.277 1.598 -7.594 290 2HB ARG 38 2HB ARG 38 1.230 0.194 -7.699 291 1HG ARG 38 1HG ARG 38 -0.451 1.458 -8.387 292 2HG ARG 38 2HG ARG 38 -0.340 2.435 -6.922 293 1HD ARG 38 1HD ARG 38 0.968 4.034 -7.923 294 2HD ARG 38 2HD ARG 38 1.617 2.915 -9.117 295 HE ARG 38 HE ARG 38 -0.860 3.015 -9.957 296 1HH1 ARG 38 1HH1 ARG 38 1.103 5.658 -8.783 297 2HH1 ARG 38 2HH1 ARG 38 0.281 6.849 -9.731 298 1HH2 ARG 38 1HH2 ARG 38 -1.937 4.587 -11.203 299 2HH2 ARG 38 2HH2 ARG 38 -1.442 6.243 -11.103 300 H ALA 39 H ALA 39 -0.773 1.515 -4.470 301 HA ALA 39 HA ALA 39 -1.890 -1.153 -4.854 302 1HB ALA 39 1HB ALA 39 -1.141 -0.030 -2.221 303 2HB ALA 39 2HB ALA 39 -1.000 -1.670 -2.810 304 3HB ALA 39 3HB ALA 39 -2.570 -1.032 -2.326 305 H GLU 40 H GLU 40 -4.142 -1.228 -3.707 306 HA GLU 40 HA GLU 40 -5.551 1.313 -4.223 307 1HB GLU 40 1HB GLU 40 -7.512 -0.051 -4.919 308 2HB GLU 40 2HB GLU 40 -6.137 -0.233 -5.998 309 1HG GLU 40 1HG GLU 40 -6.020 -2.417 -5.632 310 2HG GLU 40 2HG GLU 40 -6.134 -2.204 -3.887 311 H LEU 41 H LEU 41 -7.325 1.782 -2.876 312 HA LEU 41 HA LEU 41 -8.139 -0.056 -0.818 313 1HB LEU 41 1HB LEU 41 -7.526 1.176 1.072 314 2HB LEU 41 2HB LEU 41 -6.093 1.143 0.075 315 HG LEU 41 HG LEU 41 -7.666 3.510 -0.472 316 1HD1 LEU 41 1HD1 LEU 41 -8.438 3.811 1.632 317 2HD1 LEU 41 2HD1 LEU 41 -6.805 4.406 1.900 318 3HD1 LEU 41 3HD1 LEU 41 -7.225 2.756 2.341 319 1HD2 LEU 41 1HD2 LEU 41 -4.935 2.665 -0.184 320 2HD2 LEU 41 2HD2 LEU 41 -5.212 4.166 0.687 321 3HD2 LEU 41 3HD2 LEU 41 -5.591 4.064 -1.027 322 H ASP 42 H ASP 42 -10.216 0.255 -0.291 323 HA ASP 42 HA ASP 42 -12.363 0.966 -0.519 324 1HB ASP 42 1HB ASP 42 -10.943 3.582 -0.075 325 2HB ASP 42 2HB ASP 42 -12.693 3.487 -0.243 326 H GLY 43 H GLY 43 -10.745 0.667 -2.981 327 1HA GLY 43 1HA GLY 43 -11.421 0.751 -5.215 328 2HA GLY 43 2HA GLY 43 -12.655 1.918 -4.772 329 H LYS 44 H LYS 44 -9.562 2.726 -3.592 330 HA LYS 44 HA LYS 44 -9.178 4.615 -5.824 331 1HB LYS 44 1HB LYS 44 -8.265 5.007 -2.968 332 2HB LYS 44 2HB LYS 44 -8.315 6.207 -4.251 333 1HG LYS 44 1HG LYS 44 -10.883 4.949 -3.505 334 2HG LYS 44 2HG LYS 44 -10.155 6.049 -2.333 335 1HD LYS 44 1HD LYS 44 -9.982 7.212 -4.938 336 2HD LYS 44 2HD LYS 44 -11.644 6.694 -4.648 337 1HE LYS 44 1HE LYS 44 -11.684 8.808 -3.751 338 2HE LYS 44 2HE LYS 44 -11.280 7.849 -2.328 339 1HZ LYS 44 1HZ LYS 44 -9.516 9.571 -3.952 340 2HZ LYS 44 2HZ LYS 44 -8.871 8.339 -2.988 341 3HZ LYS 44 3HZ LYS 44 -9.767 9.586 -2.278 342 H GLU 45 H GLU 45 -7.137 4.759 -6.712 343 HA GLU 45 HA GLU 45 -5.128 2.887 -5.645 344 1HB GLU 45 1HB GLU 45 -4.262 2.733 -7.946 345 2HB GLU 45 2HB GLU 45 -5.927 2.190 -7.808 346 1HG GLU 45 1HG GLU 45 -6.284 4.799 -8.449 347 2HG GLU 45 2HG GLU 45 -4.791 4.435 -9.311 348 H GLY 46 H GLY 46 -3.077 3.512 -5.328 349 1HA GLY 46 1HA GLY 46 -1.870 5.818 -6.430 350 2HA GLY 46 2HA GLY 46 -2.446 6.180 -4.809 351 H LEU 47 H LEU 47 0.234 6.284 -5.539 352 HA LEU 47 HA LEU 47 1.692 3.963 -4.827 353 1HB LEU 47 1HB LEU 47 2.261 6.780 -5.385 354 2HB LEU 47 2HB LEU 47 3.370 6.035 -4.249 355 HG LEU 47 HG LEU 47 3.071 4.212 -6.386 356 1HD1 LEU 47 1HD1 LEU 47 4.166 6.536 -7.730 357 2HD1 LEU 47 2HD1 LEU 47 2.454 6.725 -7.350 358 3HD1 LEU 47 3HD1 LEU 47 2.998 5.343 -8.298 359 1HD2 LEU 47 1HD2 LEU 47 5.155 4.082 -5.585 360 2HD2 LEU 47 2HD2 LEU 47 5.160 5.764 -5.053 361 3HD2 LEU 47 3HD2 LEU 47 5.511 5.370 -6.733 362 H ILE 48 H ILE 48 2.921 3.607 -2.968 363 HA ILE 48 HA ILE 48 2.129 5.008 -0.494 364 HB ILE 48 HB ILE 48 2.343 2.004 -0.618 365 1HG1 ILE 48 1HG1 ILE 48 -0.333 2.964 -0.164 366 2HG1 ILE 48 2HG1 ILE 48 0.261 3.528 -1.716 367 1HG2 ILE 48 1HG2 ILE 48 2.635 2.565 1.579 368 2HG2 ILE 48 2HG2 ILE 48 0.880 2.396 1.518 369 3HG2 ILE 48 3HG2 ILE 48 1.614 3.987 1.456 370 1HD1 ILE 48 1HD1 ILE 48 1.010 0.948 -1.812 371 2HD1 ILE 48 2HD1 ILE 48 -0.522 1.569 -2.428 372 3HD1 ILE 48 3HD1 ILE 48 -0.442 0.839 -0.827 373 HA PRO 49 HA PRO 49 6.464 4.645 0.197 374 1HB PRO 49 1HB PRO 49 6.666 4.995 2.909 375 2HB PRO 49 2HB PRO 49 6.309 6.339 1.826 376 1HG PRO 49 1HG PRO 49 4.447 4.713 3.495 377 2HG PRO 49 2HG PRO 49 4.441 6.458 3.192 378 1HD PRO 49 1HD PRO 49 2.793 4.711 1.925 379 2HD PRO 49 2HD PRO 49 3.325 6.226 1.200 380 H SER 50 H SER 50 7.325 2.709 -0.052 381 HA SER 50 HA SER 50 6.251 0.300 0.680 382 1HB SER 50 1HB SER 50 8.305 -0.732 0.008 383 2HB SER 50 2HB SER 50 8.046 0.676 -1.023 384 HG SER 50 HG SER 50 10.183 0.165 0.327 385 H ASN 51 H ASN 51 8.143 2.268 2.680 386 HA ASN 51 HA ASN 51 8.929 0.284 4.590 387 1HB ASN 51 1HB ASN 51 9.749 2.794 4.080 388 2HB ASN 51 2HB ASN 51 8.694 3.106 5.454 389 1HD2 ASN 51 1HD2 ASN 51 11.646 1.713 4.371 390 2HD2 ASN 51 2HD2 ASN 51 12.284 1.321 5.929 391 H TYR 52 H TYR 52 5.951 1.980 4.105 392 HA TYR 52 HA TYR 52 5.126 1.569 6.891 393 1HB TYR 52 1HB TYR 52 4.038 3.191 4.629 394 2HB TYR 52 2HB TYR 52 3.023 2.799 6.011 395 HD1 TYR 52 HD1 TYR 52 6.332 3.031 7.186 396 HD2 TYR 52 HD2 TYR 52 3.087 5.460 5.891 397 HE1 TYR 52 HE1 TYR 52 7.274 4.938 8.418 398 HE2 TYR 52 HE2 TYR 52 4.021 7.374 7.117 399 HH TYR 52 HH TYR 52 7.015 7.064 9.028 400 H ILE 53 H ILE 53 5.138 -0.467 4.348 401 HA ILE 53 HA ILE 53 2.740 -1.821 5.332 402 HB ILE 53 HB ILE 53 2.082 -2.379 2.957 403 1HG1 ILE 53 1HG1 ILE 53 2.867 -0.219 1.505 404 2HG1 ILE 53 2HG1 ILE 53 4.311 -0.501 2.471 405 1HG2 ILE 53 1HG2 ILE 53 0.529 -0.754 3.037 406 2HG2 ILE 53 2HG2 ILE 53 1.727 0.533 3.163 407 3HG2 ILE 53 3HG2 ILE 53 1.273 -0.391 4.593 408 1HD1 ILE 53 1HD1 ILE 53 3.043 -2.791 1.058 409 2HD1 ILE 53 2HD1 ILE 53 4.731 -2.527 1.494 410 3HD1 ILE 53 3HD1 ILE 53 4.019 -1.638 0.147 411 H GLU 54 H GLU 54 2.557 -4.061 4.162 412 HA GLU 54 HA GLU 54 5.106 -5.160 3.343 413 1HB GLU 54 1HB GLU 54 5.286 -6.815 5.093 414 2HB GLU 54 2HB GLU 54 5.263 -5.209 5.808 415 1HG GLU 54 1HG GLU 54 2.648 -5.795 5.901 416 2HG GLU 54 2HG GLU 54 3.332 -7.415 6.027 417 H MET 55 H MET 55 4.960 -7.118 2.288 418 HA MET 55 HA MET 55 2.511 -7.696 1.023 419 1HB MET 55 1HB MET 55 5.229 -8.441 0.734 420 2HB MET 55 2HB MET 55 4.294 -9.926 0.829 421 1HG MET 55 1HG MET 55 2.862 -8.269 -0.895 422 2HG MET 55 2HG MET 55 4.554 -8.053 -1.337 423 1HE MET 55 1HE MET 55 4.144 -8.647 -3.443 424 2HE MET 55 2HE MET 55 3.168 -9.999 -4.016 425 3HE MET 55 3HE MET 55 4.915 -10.180 -3.849 426 H LYS 56 H LYS 56 0.981 -9.216 1.348 427 HA LYS 56 HA LYS 56 1.359 -11.373 3.217 428 1HB LYS 56 1HB LYS 56 -0.647 -9.197 3.853 429 2HB LYS 56 2HB LYS 56 -0.480 -10.715 4.724 430 1HG LYS 56 1HG LYS 56 1.730 -8.695 4.504 431 2HG LYS 56 2HG LYS 56 0.561 -8.745 5.803 432 1HD LYS 56 1HD LYS 56 1.696 -11.346 5.379 433 2HD LYS 56 2HD LYS 56 2.956 -10.146 5.669 434 1HE LYS 56 1HE LYS 56 0.830 -9.676 7.504 435 2HE LYS 56 2HE LYS 56 1.227 -11.392 7.547 436 1HZ LYS 56 1HZ LYS 56 3.598 -10.691 7.809 437 2HZ LYS 56 2HZ LYS 56 2.598 -10.317 9.121 438 3HZ LYS 56 3HZ LYS 56 3.049 -9.105 8.031 439 H ASN 57 H ASN 57 -1.739 -11.318 3.566 440 HA ASN 57 HA ASN 57 -2.616 -11.867 0.863 441 1HB ASN 57 1HB ASN 57 -3.446 -14.163 1.541 442 2HB ASN 57 2HB ASN 57 -1.707 -14.001 1.309 443 1HD2 ASN 57 1HD2 ASN 57 -4.220 -13.934 3.787 444 2HD2 ASN 57 2HD2 ASN 57 -3.239 -14.588 5.049 445 H HIS 58 H HIS 58 -3.258 -10.295 3.506 446 HA HIS 58 HA HIS 58 -5.060 -9.377 4.434 447 1HB HIS 58 1HB HIS 58 -5.901 -9.126 2.126 448 2HB HIS 58 2HB HIS 58 -6.645 -10.713 2.225 449 HD1 HIS 58 HD1 HIS 58 -6.825 -7.951 4.828 450 HD2 HIS 58 HD2 HIS 58 -9.279 -10.048 2.217 451 HE1 HIS 58 HE1 HIS 58 -9.168 -7.228 5.381 452 HE2 HIS 58 HE2 HIS 58 -10.640 -8.609 3.876 453 H ASP 59 H ASP 59 -7.760 -11.082 4.161 454 HA ASP 59 HA ASP 59 -8.887 -12.548 5.458 455 1HB ASP 59 1HB ASP 59 -6.146 -13.743 5.463 456 2HB ASP 59 2HB ASP 59 -7.347 -14.370 6.586 Start of MODEL 5 1 1H MET 1 1H MET 1 0.671 -9.762 -2.971 2 2H MET 1 2H MET 1 1.434 -9.791 -4.496 3 3H MET 1 3H MET 1 0.279 -10.972 -4.099 4 HA MET 1 HA MET 1 -0.048 -8.341 -5.084 5 1HB MET 1 1HB MET 1 -2.291 -10.294 -4.846 6 2HB MET 1 2HB MET 1 -1.842 -9.284 -6.208 7 1HG MET 1 1HG MET 1 -0.023 -10.808 -6.760 8 2HG MET 1 2HG MET 1 -0.436 -11.807 -5.377 9 1HE MET 1 1HE MET 1 -0.815 -14.004 -6.402 10 2HE MET 1 2HE MET 1 -2.423 -14.416 -6.999 11 3HE MET 1 3HE MET 1 -2.234 -13.688 -5.403 12 H GLU 2 H GLU 2 -0.602 -9.653 -2.033 13 HA GLU 2 HA GLU 2 -2.392 -7.410 -1.505 14 1HB GLU 2 1HB GLU 2 -2.679 -10.233 -0.624 15 2HB GLU 2 2HB GLU 2 -3.117 -8.983 0.534 16 1HG GLU 2 1HG GLU 2 -4.739 -8.072 -0.970 17 2HG GLU 2 2HG GLU 2 -4.203 -9.142 -2.264 18 H ALA 3 H ALA 3 -2.021 -6.288 0.449 19 HA ALA 3 HA ALA 3 0.181 -7.178 2.168 20 1HB ALA 3 1HB ALA 3 0.246 -4.327 1.379 21 2HB ALA 3 2HB ALA 3 0.846 -5.504 0.210 22 3HB ALA 3 3HB ALA 3 1.561 -5.413 1.820 23 H ILE 4 H ILE 4 0.402 -6.017 4.101 24 HA ILE 4 HA ILE 4 -2.135 -4.790 4.983 25 HB ILE 4 HB ILE 4 -1.833 -7.039 5.960 26 1HG1 ILE 4 1HG1 ILE 4 -1.625 -5.856 8.469 27 2HG1 ILE 4 2HG1 ILE 4 -2.217 -4.562 7.430 28 1HG2 ILE 4 1HG2 ILE 4 0.230 -7.680 6.463 29 2HG2 ILE 4 2HG2 ILE 4 0.061 -6.727 7.936 30 3HG2 ILE 4 3HG2 ILE 4 0.825 -6.023 6.514 31 1HD1 ILE 4 1HD1 ILE 4 -4.122 -5.825 6.806 32 2HD1 ILE 4 2HD1 ILE 4 -3.976 -5.942 8.561 33 3HD1 ILE 4 3HD1 ILE 4 -3.471 -7.290 7.542 34 H ALA 5 H ALA 5 -2.060 -2.934 6.107 35 HA ALA 5 HA ALA 5 0.321 -1.388 6.107 36 1HB ALA 5 1HB ALA 5 -2.383 -0.951 7.340 37 2HB ALA 5 2HB ALA 5 -1.746 -0.264 5.848 38 3HB ALA 5 3HB ALA 5 -1.081 0.236 7.403 39 H LYS 6 H LYS 6 1.931 -1.355 7.496 40 HA LYS 6 HA LYS 6 1.569 -2.622 10.129 41 1HB LYS 6 1HB LYS 6 3.665 -2.768 8.440 42 2HB LYS 6 2HB LYS 6 4.175 -1.403 9.422 43 1HG LYS 6 1HG LYS 6 5.111 -3.330 10.407 44 2HG LYS 6 2HG LYS 6 3.769 -2.843 11.444 45 1HD LYS 6 1HD LYS 6 2.474 -4.529 9.807 46 2HD LYS 6 2HD LYS 6 4.088 -5.235 9.737 47 1HE LYS 6 1HE LYS 6 2.693 -4.602 12.320 48 2HE LYS 6 2HE LYS 6 2.560 -6.162 11.507 49 1HZ LYS 6 1HZ LYS 6 4.420 -6.741 12.530 50 2HZ LYS 6 2HZ LYS 6 4.654 -5.183 13.144 51 3HZ LYS 6 3HZ LYS 6 5.257 -5.588 11.617 52 H HIS 7 H HIS 7 1.687 0.431 8.673 53 HA HIS 7 HA HIS 7 1.152 1.700 11.195 54 1HB HIS 7 1HB HIS 7 3.592 2.435 9.580 55 2HB HIS 7 2HB HIS 7 2.898 3.476 10.820 56 HD1 HIS 7 HD1 HIS 7 2.799 2.324 13.287 57 HD2 HIS 7 HD2 HIS 7 5.362 0.606 10.511 58 HE1 HIS 7 HE1 HIS 7 4.337 0.853 14.619 59 HE2 HIS 7 HE2 HIS 7 5.813 -0.257 12.907 60 H ASP 8 H ASP 8 0.934 4.166 10.734 61 HA ASP 8 HA ASP 8 -1.141 4.273 8.739 62 1HB ASP 8 1HB ASP 8 -1.496 6.607 9.628 63 2HB ASP 8 2HB ASP 8 -1.608 5.337 10.843 64 H PHE 9 H PHE 9 -1.244 5.664 6.901 65 HA PHE 9 HA PHE 9 1.262 7.028 6.271 66 1HB PHE 9 1HB PHE 9 1.649 5.089 5.035 67 2HB PHE 9 2HB PHE 9 -0.049 4.909 4.608 68 HD1 PHE 9 HD1 PHE 9 2.194 7.870 4.252 69 HD2 PHE 9 HD2 PHE 9 -0.105 4.878 2.286 70 HE1 PHE 9 HE1 PHE 9 2.625 8.961 2.085 71 HE2 PHE 9 HE2 PHE 9 0.324 5.963 0.127 72 HZ PHE 9 HZ PHE 9 1.690 7.999 0.019 73 H SER 10 H SER 10 0.972 8.982 5.596 74 HA SER 10 HA SER 10 -1.483 9.712 4.133 75 1HB SER 10 1HB SER 10 0.178 11.416 6.041 76 2HB SER 10 2HB SER 10 -1.160 12.021 5.066 77 HG SER 10 HG SER 10 -1.998 9.893 6.453 78 H ALA 11 H ALA 11 -1.225 10.422 2.213 79 HA ALA 11 HA ALA 11 1.041 10.031 0.730 80 1HB ALA 11 1HB ALA 11 -1.150 10.200 -0.230 81 2HB ALA 11 2HB ALA 11 -0.057 11.350 -1.000 82 3HB ALA 11 3HB ALA 11 -1.233 11.912 0.184 83 H THR 12 H THR 12 2.741 11.086 0.108 84 HA THR 12 HA THR 12 3.161 13.801 1.127 85 HB THR 12 HB THR 12 4.945 11.405 0.892 86 HG1 THR 12 HG1 THR 12 5.696 12.525 2.905 87 1HG2 THR 12 1HG2 THR 12 5.890 13.886 -0.098 88 2HG2 THR 12 2HG2 THR 12 6.793 12.417 0.239 89 3HG2 THR 12 3HG2 THR 12 6.604 13.641 1.490 90 H ALA 13 H ALA 13 2.334 12.232 -1.568 91 HA ALA 13 HA ALA 13 2.981 14.532 -3.190 92 1HB ALA 13 1HB ALA 13 3.978 13.232 -5.007 93 2HB ALA 13 2HB ALA 13 3.923 11.785 -4.008 94 3HB ALA 13 3HB ALA 13 4.958 13.131 -3.546 95 H ASP 14 H ASP 14 1.839 14.392 -5.277 96 HA ASP 14 HA ASP 14 -0.804 13.591 -4.900 97 1HB ASP 14 1HB ASP 14 -1.096 14.280 -7.303 98 2HB ASP 14 2HB ASP 14 -0.369 15.517 -6.283 99 H ASP 15 H ASP 15 -1.969 12.034 -5.915 100 HA ASP 15 HA ASP 15 -2.415 10.151 -7.264 101 1HB ASP 15 1HB ASP 15 0.255 10.820 -8.115 102 2HB ASP 15 2HB ASP 15 0.116 9.081 -7.897 103 H GLU 16 H GLU 16 -1.257 10.385 -4.372 104 HA GLU 16 HA GLU 16 -0.417 7.615 -3.931 105 1HB GLU 16 1HB GLU 16 0.070 10.183 -2.606 106 2HB GLU 16 2HB GLU 16 -0.210 8.830 -1.516 107 1HG GLU 16 1HG GLU 16 2.074 8.794 -1.783 108 2HG GLU 16 2HG GLU 16 1.531 7.608 -2.957 109 H LEU 17 H LEU 17 -1.183 6.562 -1.950 110 HA LEU 17 HA LEU 17 -4.036 7.141 -1.490 111 1HB LEU 17 1HB LEU 17 -3.707 5.132 -2.825 112 2HB LEU 17 2HB LEU 17 -2.645 4.474 -1.595 113 HG LEU 17 HG LEU 17 -5.220 5.182 -0.478 114 1HD1 LEU 17 1HD1 LEU 17 -5.526 2.846 -2.243 115 2HD1 LEU 17 2HD1 LEU 17 -5.542 4.412 -3.049 116 3HD1 LEU 17 3HD1 LEU 17 -6.700 4.070 -1.765 117 1HD2 LEU 17 1HD2 LEU 17 -5.033 2.933 0.400 118 2HD2 LEU 17 2HD2 LEU 17 -3.494 3.761 0.544 119 3HD2 LEU 17 3HD2 LEU 17 -3.738 2.574 -0.735 120 H SER 18 H SER 18 -4.746 7.271 0.559 121 HA SER 18 HA SER 18 -2.759 7.109 2.689 122 1HB SER 18 1HB SER 18 -5.532 8.259 2.517 123 2HB SER 18 2HB SER 18 -4.771 7.976 4.082 124 HG SER 18 HG SER 18 -3.735 9.573 1.973 125 H PHE 19 H PHE 19 -3.120 5.884 4.649 126 HA PHE 19 HA PHE 19 -5.304 4.060 4.819 127 1HB PHE 19 1HB PHE 19 -4.164 1.977 4.488 128 2HB PHE 19 2HB PHE 19 -3.896 2.975 3.065 129 HD1 PHE 19 HD1 PHE 19 -1.735 3.427 2.322 130 HD2 PHE 19 HD2 PHE 19 -2.326 1.849 6.229 131 HE1 PHE 19 HE1 PHE 19 0.689 3.060 2.536 132 HE2 PHE 19 HE2 PHE 19 0.098 1.482 6.447 133 HZ PHE 19 HZ PHE 19 1.608 2.089 4.603 134 H ARG 20 H ARG 20 -5.205 2.630 6.690 135 HA ARG 20 HA ARG 20 -3.469 3.723 8.811 136 1HB ARG 20 1HB ARG 20 -5.642 4.525 9.227 137 2HB ARG 20 2HB ARG 20 -6.386 2.998 8.790 138 1HG ARG 20 1HG ARG 20 -4.622 2.733 11.079 139 2HG ARG 20 2HG ARG 20 -5.885 3.929 11.338 140 1HD ARG 20 1HD ARG 20 -7.581 2.296 10.718 141 2HD ARG 20 2HD ARG 20 -6.329 1.094 10.407 142 HE ARG 20 HE ARG 20 -5.959 1.918 13.011 143 1HH1 ARG 20 1HH1 ARG 20 -8.518 0.433 11.163 144 2HH1 ARG 20 2HH1 ARG 20 -9.162 -0.433 12.516 145 1HH2 ARG 20 1HH2 ARG 20 -6.805 0.779 14.794 146 2HH2 ARG 20 2HH2 ARG 20 -8.191 -0.237 14.578 147 H LYS 21 H LYS 21 -2.954 2.313 10.571 148 HA LYS 21 HA LYS 21 -1.924 -0.157 9.890 149 1HB LYS 21 1HB LYS 21 -2.809 0.259 12.707 150 2HB LYS 21 2HB LYS 21 -1.326 -0.452 12.094 151 1HG LYS 21 1HG LYS 21 -0.398 1.670 11.630 152 2HG LYS 21 2HG LYS 21 -1.939 2.483 11.867 153 1HD LYS 21 1HD LYS 21 -1.669 2.591 14.084 154 2HD LYS 21 2HD LYS 21 -1.091 0.926 14.182 155 1HE LYS 21 1HE LYS 21 1.110 1.532 13.835 156 2HE LYS 21 2HE LYS 21 0.677 3.049 13.048 157 1HZ LYS 21 1HZ LYS 21 0.733 4.114 14.980 158 2HZ LYS 21 2HZ LYS 21 1.442 2.733 15.654 159 3HZ LYS 21 3HZ LYS 21 -0.231 2.956 15.751 160 H GLY 22 H GLY 22 -2.613 -2.173 9.778 161 1HA GLY 22 1HA GLY 22 -3.941 -4.028 10.275 162 2HA GLY 22 2HA GLY 22 -5.131 -2.961 11.000 163 H GLN 23 H GLN 23 -4.607 -1.434 8.201 164 HA GLN 23 HA GLN 23 -6.992 -2.495 7.035 165 1HB GLN 23 1HB GLN 23 -6.315 -0.075 7.024 166 2HB GLN 23 2HB GLN 23 -5.077 -0.496 5.851 167 1HG GLN 23 1HG GLN 23 -6.569 -0.105 4.276 168 2HG GLN 23 2HG GLN 23 -7.407 -1.557 4.796 169 1HE2 GLN 23 1HE2 GLN 23 -7.304 1.917 5.019 170 2HE2 GLN 23 2HE2 GLN 23 -8.913 2.119 5.614 171 H ILE 24 H ILE 24 -7.216 -3.215 4.798 172 HA ILE 24 HA ILE 24 -4.895 -4.786 3.976 173 HB ILE 24 HB ILE 24 -6.996 -5.989 4.392 174 1HG1 ILE 24 1HG1 ILE 24 -6.989 -6.652 1.644 175 2HG1 ILE 24 2HG1 ILE 24 -5.352 -6.142 2.046 176 1HG2 ILE 24 1HG2 ILE 24 -8.576 -4.277 3.721 177 2HG2 ILE 24 2HG2 ILE 24 -8.876 -5.783 2.856 178 3HG2 ILE 24 3HG2 ILE 24 -8.072 -4.447 2.042 179 1HD1 ILE 24 1HD1 ILE 24 -5.124 -8.295 2.633 180 2HD1 ILE 24 2HD1 ILE 24 -6.854 -8.522 2.889 181 3HD1 ILE 24 3HD1 ILE 24 -5.871 -7.752 4.135 182 H LEU 25 H LEU 25 -3.628 -3.779 2.588 183 HA LEU 25 HA LEU 25 -4.762 -2.044 0.518 184 1HB LEU 25 1HB LEU 25 -2.054 -2.454 1.705 185 2HB LEU 25 2HB LEU 25 -2.151 -1.842 0.066 186 HG LEU 25 HG LEU 25 -3.357 -0.544 2.506 187 1HD1 LEU 25 1HD1 LEU 25 -1.374 0.914 0.947 188 2HD1 LEU 25 2HD1 LEU 25 -0.732 -0.548 1.700 189 3HD1 LEU 25 3HD1 LEU 25 -1.507 0.686 2.690 190 1HD2 LEU 25 1HD2 LEU 25 -3.661 -0.091 -0.391 191 2HD2 LEU 25 2HD2 LEU 25 -3.411 1.331 0.616 192 3HD2 LEU 25 3HD2 LEU 25 -4.761 0.252 0.942 193 H LYS 26 H LYS 26 -4.811 -2.609 -1.615 194 HA LYS 26 HA LYS 26 -3.888 -5.285 -2.308 195 1HB LYS 26 1HB LYS 26 -6.177 -4.746 -2.882 196 2HB LYS 26 2HB LYS 26 -5.658 -3.309 -3.723 197 1HG LYS 26 1HG LYS 26 -5.835 -4.554 -5.558 198 2HG LYS 26 2HG LYS 26 -4.278 -5.224 -5.065 199 1HD LYS 26 1HD LYS 26 -5.689 -6.878 -3.677 200 2HD LYS 26 2HD LYS 26 -7.028 -6.361 -4.704 201 1HE LYS 26 1HE LYS 26 -6.224 -7.441 -6.513 202 2HE LYS 26 2HE LYS 26 -4.547 -7.062 -6.119 203 1HZ LYS 26 1HZ LYS 26 -4.328 -8.917 -4.844 204 2HZ LYS 26 2HZ LYS 26 -5.465 -9.495 -5.955 205 3HZ LYS 26 3HZ LYS 26 -5.965 -8.979 -4.422 206 H ILE 27 H ILE 27 -2.095 -5.623 -3.453 207 HA ILE 27 HA ILE 27 -0.655 -3.355 -4.577 208 HB ILE 27 HB ILE 27 0.302 -6.197 -4.675 209 1HG1 ILE 27 1HG1 ILE 27 1.063 -4.460 -2.368 210 2HG1 ILE 27 2HG1 ILE 27 -0.487 -5.292 -2.301 211 1HG2 ILE 27 1HG2 ILE 27 1.878 -3.671 -4.281 212 2HG2 ILE 27 2HG2 ILE 27 1.459 -4.295 -5.876 213 3HG2 ILE 27 3HG2 ILE 27 2.458 -5.257 -4.786 214 1HD1 ILE 27 1HD1 ILE 27 0.865 -6.815 -1.278 215 2HD1 ILE 27 2HD1 ILE 27 2.265 -6.405 -2.267 216 3HD1 ILE 27 3HD1 ILE 27 0.959 -7.376 -2.947 217 H LEU 28 H LEU 28 -0.854 -2.803 -6.604 218 HA LEU 28 HA LEU 28 -1.804 -4.758 -8.591 219 1HB LEU 28 1HB LEU 28 -1.636 -2.023 -9.563 220 2HB LEU 28 2HB LEU 28 -2.965 -3.157 -9.629 221 HG LEU 28 HG LEU 28 -3.733 -1.234 -8.494 222 1HD1 LEU 28 1HD1 LEU 28 -3.282 -2.784 -6.064 223 2HD1 LEU 28 2HD1 LEU 28 -3.898 -3.715 -7.425 224 3HD1 LEU 28 3HD1 LEU 28 -4.782 -2.302 -6.850 225 1HD2 LEU 28 1HD2 LEU 28 -1.233 -1.446 -6.860 226 2HD2 LEU 28 2HD2 LEU 28 -2.613 -0.482 -6.367 227 3HD2 LEU 28 3HD2 LEU 28 -1.771 -0.111 -7.866 228 H ASN 29 H ASN 29 0.667 -2.365 -7.895 229 HA ASN 29 HA ASN 29 2.500 -3.738 -9.688 230 1HB ASN 29 1HB ASN 29 3.216 -1.426 -10.595 231 2HB ASN 29 2HB ASN 29 1.834 -2.255 -11.301 232 1HD2 ASN 29 1HD2 ASN 29 2.679 0.615 -11.023 233 2HD2 ASN 29 2HD2 ASN 29 1.269 1.406 -10.420 234 H MET 30 H MET 30 4.599 -3.653 -8.925 235 HA MET 30 HA MET 30 4.996 -2.250 -6.401 236 1HB MET 30 1HB MET 30 6.330 -3.956 -5.824 237 2HB MET 30 2HB MET 30 5.683 -4.770 -7.235 238 1HG MET 30 1HG MET 30 7.842 -3.222 -8.157 239 2HG MET 30 2HG MET 30 8.373 -3.979 -6.660 240 1HE MET 30 1HE MET 30 6.424 -4.438 -9.796 241 2HE MET 30 2HE MET 30 6.681 -6.104 -10.314 242 3HE MET 30 3HE MET 30 7.915 -4.883 -10.626 243 H GLU 31 H GLU 31 5.331 -1.448 -9.515 244 HA GLU 31 HA GLU 31 6.239 0.336 -10.507 245 1HB GLU 31 1HB GLU 31 6.336 1.272 -8.133 246 2HB GLU 31 2HB GLU 31 8.028 0.797 -8.137 247 1HG GLU 31 1HG GLU 31 8.555 2.682 -9.164 248 2HG GLU 31 2HG GLU 31 7.546 2.224 -10.533 249 H ASP 32 H ASP 32 9.217 0.767 -9.525 250 HA ASP 32 HA ASP 32 10.316 -1.226 -11.314 251 1HB ASP 32 1HB ASP 32 12.285 0.267 -11.680 252 2HB ASP 32 2HB ASP 32 10.761 0.947 -12.241 253 H ASP 33 H ASP 33 9.817 -1.257 -8.284 254 HA ASP 33 HA ASP 33 10.708 -2.627 -6.698 255 1HB ASP 33 1HB ASP 33 11.984 -3.585 -8.876 256 2HB ASP 33 2HB ASP 33 13.362 -2.924 -8.000 257 H SER 34 H SER 34 10.637 -0.372 -5.803 258 HA SER 34 HA SER 34 13.233 0.230 -4.693 259 1HB SER 34 1HB SER 34 11.932 1.934 -6.731 260 2HB SER 34 2HB SER 34 12.610 2.791 -5.354 261 HG SER 34 HG SER 34 14.281 2.617 -6.718 262 H ASN 35 H ASN 35 12.082 2.957 -4.032 263 HA ASN 35 HA ASN 35 11.089 2.173 -1.437 264 1HB ASN 35 1HB ASN 35 11.530 4.312 -0.695 265 2HB ASN 35 2HB ASN 35 12.762 4.026 -1.914 266 1HD2 ASN 35 1HD2 ASN 35 12.013 4.750 -4.192 267 2HD2 ASN 35 2HD2 ASN 35 11.315 6.325 -4.252 268 H TRP 36 H TRP 36 9.507 3.484 -4.302 269 HA TRP 36 HA TRP 36 7.084 3.790 -2.648 270 1HB TRP 36 1HB TRP 36 7.763 4.983 -5.342 271 2HB TRP 36 2HB TRP 36 6.196 5.137 -4.553 272 HD1 TRP 36 HD1 TRP 36 9.605 6.652 -4.649 273 HE1 TRP 36 HE1 TRP 36 9.770 8.560 -2.933 274 HE3 TRP 36 HE3 TRP 36 5.252 5.822 -2.110 275 HZ2 TRP 36 HZ2 TRP 36 8.243 9.586 -0.787 276 HZ3 TRP 36 HZ3 TRP 36 4.673 7.314 -0.240 277 HH2 TRP 36 HH2 TRP 36 6.138 9.157 0.406 278 H TYR 37 H TYR 37 5.351 2.479 -3.040 279 HA TYR 37 HA TYR 37 5.415 0.727 -5.416 280 1HB TYR 37 1HB TYR 37 4.728 0.139 -2.546 281 2HB TYR 37 2HB TYR 37 4.014 -0.820 -3.832 282 HD1 TYR 37 HD1 TYR 37 7.367 0.357 -4.477 283 HD2 TYR 37 HD2 TYR 37 5.116 -2.763 -2.677 284 HE1 TYR 37 HE1 TYR 37 9.359 -1.064 -4.492 285 HE2 TYR 37 HE2 TYR 37 7.111 -4.204 -2.688 286 HH TYR 37 HH TYR 37 9.269 -4.380 -3.248 287 H ARG 38 H ARG 38 3.179 -0.050 -6.081 288 HA ARG 38 HA ARG 38 1.244 2.111 -5.604 289 1HB ARG 38 1HB ARG 38 2.069 0.690 -8.028 290 2HB ARG 38 2HB ARG 38 0.325 0.773 -7.848 291 1HG ARG 38 1HG ARG 38 2.114 3.160 -7.681 292 2HG ARG 38 2HG ARG 38 1.378 2.617 -9.175 293 1HD ARG 38 1HD ARG 38 -0.848 2.825 -8.089 294 2HD ARG 38 2HD ARG 38 -0.049 3.515 -6.678 295 HE ARG 38 HE ARG 38 0.187 5.494 -7.814 296 1HH1 ARG 38 1HH1 ARG 38 -0.698 2.982 -10.066 297 2HH1 ARG 38 2HH1 ARG 38 -0.968 4.080 -11.378 298 1HH2 ARG 38 1HH2 ARG 38 -0.169 6.941 -9.537 299 2HH2 ARG 38 2HH2 ARG 38 -0.666 6.327 -11.079 300 H ALA 39 H ALA 39 -0.605 1.714 -4.608 301 HA ALA 39 HA ALA 39 -1.762 -0.967 -4.776 302 1HB ALA 39 1HB ALA 39 -0.706 0.256 -2.306 303 2HB ALA 39 2HB ALA 39 -0.804 -1.437 -2.787 304 3HB ALA 39 3HB ALA 39 -2.239 -0.605 -2.187 305 H GLU 40 H GLU 40 -4.002 -1.074 -3.972 306 HA GLU 40 HA GLU 40 -5.382 1.526 -4.227 307 1HB GLU 40 1HB GLU 40 -7.313 0.354 -5.111 308 2HB GLU 40 2HB GLU 40 -5.902 -0.086 -6.064 309 1HG GLU 40 1HG GLU 40 -6.426 -2.201 -5.729 310 2HG GLU 40 2HG GLU 40 -6.006 -1.964 -4.037 311 H LEU 41 H LEU 41 -7.214 1.889 -2.863 312 HA LEU 41 HA LEU 41 -7.836 -0.015 -0.762 313 1HB LEU 41 1HB LEU 41 -6.124 1.019 0.404 314 2HB LEU 41 2HB LEU 41 -6.407 2.557 -0.359 315 HG LEU 41 HG LEU 41 -8.529 1.619 1.475 316 1HD1 LEU 41 1HD1 LEU 41 -5.759 1.727 2.277 317 2HD1 LEU 41 2HD1 LEU 41 -7.179 1.261 3.210 318 3HD1 LEU 41 3HD1 LEU 41 -6.703 2.955 3.123 319 1HD2 LEU 41 1HD2 LEU 41 -7.718 4.218 2.054 320 2HD2 LEU 41 2HD2 LEU 41 -9.089 3.740 1.053 321 3HD2 LEU 41 3HD2 LEU 41 -7.528 4.073 0.307 322 H ASP 42 H ASP 42 -9.905 0.071 -0.299 323 HA ASP 42 HA ASP 42 -12.102 0.574 -0.467 324 1HB ASP 42 1HB ASP 42 -10.827 3.148 0.277 325 2HB ASP 42 2HB ASP 42 -12.498 3.216 -0.277 326 H GLY 43 H GLY 43 -10.715 0.293 -2.950 327 1HA GLY 43 1HA GLY 43 -11.396 0.414 -5.174 328 2HA GLY 43 2HA GLY 43 -12.682 1.504 -4.681 329 H LYS 44 H LYS 44 -9.617 2.456 -3.594 330 HA LYS 44 HA LYS 44 -9.380 4.411 -5.797 331 1HB LYS 44 1HB LYS 44 -10.050 5.439 -3.661 332 2HB LYS 44 2HB LYS 44 -8.679 4.686 -2.858 333 1HG LYS 44 1HG LYS 44 -7.222 6.219 -3.623 334 2HG LYS 44 2HG LYS 44 -8.014 6.346 -5.192 335 1HD LYS 44 1HD LYS 44 -9.339 8.052 -4.533 336 2HD LYS 44 2HD LYS 44 -9.550 7.398 -2.907 337 1HE LYS 44 1HE LYS 44 -7.036 8.739 -3.894 338 2HE LYS 44 2HE LYS 44 -8.309 9.556 -2.991 339 1HZ LYS 44 1HZ LYS 44 -6.856 7.179 -1.975 340 2HZ LYS 44 2HZ LYS 44 -7.899 8.192 -1.112 341 3HZ LYS 44 3HZ LYS 44 -6.397 8.771 -1.631 342 H GLU 45 H GLU 45 -7.310 4.707 -6.665 343 HA GLU 45 HA GLU 45 -5.262 2.870 -5.637 344 1HB GLU 45 1HB GLU 45 -4.582 2.394 -7.751 345 2HB GLU 45 2HB GLU 45 -6.199 2.928 -8.171 346 1HG GLU 45 1HG GLU 45 -4.789 5.271 -8.237 347 2HG GLU 45 2HG GLU 45 -3.605 4.097 -8.806 348 H GLY 46 H GLY 46 -3.009 3.621 -5.765 349 1HA GLY 46 1HA GLY 46 -2.165 6.243 -5.979 350 2HA GLY 46 2HA GLY 46 -2.844 6.089 -4.367 351 H LEU 47 H LEU 47 -0.080 6.550 -5.330 352 HA LEU 47 HA LEU 47 1.540 4.286 -4.783 353 1HB LEU 47 1HB LEU 47 1.936 6.895 -5.665 354 2HB LEU 47 2HB LEU 47 2.776 6.836 -4.127 355 HG LEU 47 HG LEU 47 3.979 4.784 -4.981 356 1HD1 LEU 47 1HD1 LEU 47 2.209 4.442 -6.761 357 2HD1 LEU 47 2HD1 LEU 47 3.891 4.212 -7.241 358 3HD1 LEU 47 3HD1 LEU 47 3.040 5.697 -7.672 359 1HD2 LEU 47 1HD2 LEU 47 4.896 7.137 -4.985 360 2HD2 LEU 47 2HD2 LEU 47 4.429 7.223 -6.684 361 3HD2 LEU 47 3HD2 LEU 47 5.613 6.029 -6.155 362 H ILE 48 H ILE 48 2.861 3.926 -2.945 363 HA ILE 48 HA ILE 48 2.068 5.249 -0.451 364 HB ILE 48 HB ILE 48 1.909 3.073 0.733 365 1HG1 ILE 48 1HG1 ILE 48 1.894 1.931 -2.066 366 2HG1 ILE 48 2HG1 ILE 48 3.216 1.771 -0.912 367 1HG2 ILE 48 1HG2 ILE 48 -0.076 3.238 -1.529 368 2HG2 ILE 48 2HG2 ILE 48 -0.103 4.305 -0.128 369 3HG2 ILE 48 3HG2 ILE 48 -0.332 2.573 0.082 370 1HD1 ILE 48 1HD1 ILE 48 0.496 0.544 -0.831 371 2HD1 ILE 48 2HD1 ILE 48 1.483 0.693 0.616 372 3HD1 ILE 48 3HD1 ILE 48 2.073 -0.238 -0.758 373 HA PRO 49 HA PRO 49 6.368 4.884 0.290 374 1HB PRO 49 1HB PRO 49 6.547 5.169 3.007 375 2HB PRO 49 2HB PRO 49 6.187 6.523 1.930 376 1HG PRO 49 1HG PRO 49 4.352 4.920 3.632 377 2HG PRO 49 2HG PRO 49 4.293 6.639 3.225 378 1HD PRO 49 1HD PRO 49 2.731 4.676 2.043 379 2HD PRO 49 2HD PRO 49 3.098 6.249 1.334 380 H SER 50 H SER 50 7.289 3.009 0.015 381 HA SER 50 HA SER 50 6.304 0.548 0.655 382 1HB SER 50 1HB SER 50 8.390 -0.382 -0.043 383 2HB SER 50 2HB SER 50 8.084 1.051 -1.021 384 HG SER 50 HG SER 50 10.053 0.570 0.855 385 H ASN 51 H ASN 51 8.162 2.501 2.731 386 HA ASN 51 HA ASN 51 8.934 0.449 4.581 387 1HB ASN 51 1HB ASN 51 9.722 2.251 5.993 388 2HB ASN 51 2HB ASN 51 10.198 2.554 4.326 389 1HD2 ASN 51 1HD2 ASN 51 8.962 4.112 3.111 390 2HD2 ASN 51 2HD2 ASN 51 8.182 5.412 3.937 391 H TYR 52 H TYR 52 6.002 2.225 4.149 392 HA TYR 52 HA TYR 52 5.161 1.766 6.920 393 1HB TYR 52 1HB TYR 52 4.215 3.466 4.691 394 2HB TYR 52 2HB TYR 52 2.996 2.891 5.819 395 HD1 TYR 52 HD1 TYR 52 3.113 3.520 8.194 396 HD2 TYR 52 HD2 TYR 52 5.826 5.125 5.343 397 HE1 TYR 52 HE1 TYR 52 3.738 5.279 9.793 398 HE2 TYR 52 HE2 TYR 52 6.458 6.895 6.929 399 HH TYR 52 HH TYR 52 6.024 7.844 8.920 400 H ILE 53 H ILE 53 5.250 -0.184 4.318 401 HA ILE 53 HA ILE 53 2.774 -1.514 5.157 402 HB ILE 53 HB ILE 53 2.195 -2.131 2.928 403 1HG1 ILE 53 1HG1 ILE 53 4.471 -0.526 1.789 404 2HG1 ILE 53 2HG1 ILE 53 4.686 -2.227 2.189 405 1HG2 ILE 53 1HG2 ILE 53 2.899 0.790 2.841 406 2HG2 ILE 53 2HG2 ILE 53 1.565 0.127 3.785 407 3HG2 ILE 53 3HG2 ILE 53 1.565 -0.029 2.033 408 1HD1 ILE 53 1HD1 ILE 53 3.714 -1.177 -0.181 409 2HD1 ILE 53 2HD1 ILE 53 2.292 -1.822 0.641 410 3HD1 ILE 53 3HD1 ILE 53 3.679 -2.865 0.327 411 H GLU 54 H GLU 54 2.700 -3.776 4.751 412 HA GLU 54 HA GLU 54 5.358 -5.024 4.553 413 1HB GLU 54 1HB GLU 54 3.067 -5.997 6.264 414 2HB GLU 54 2HB GLU 54 4.693 -6.666 6.198 415 1HG GLU 54 1HG GLU 54 4.254 -3.825 6.990 416 2HG GLU 54 2HG GLU 54 4.020 -5.129 8.142 417 H MET 55 H MET 55 5.197 -5.597 2.437 418 HA MET 55 HA MET 55 2.979 -6.471 1.096 419 1HB MET 55 1HB MET 55 4.368 -6.780 -0.637 420 2HB MET 55 2HB MET 55 5.566 -6.071 0.422 421 1HG MET 55 1HG MET 55 5.311 -8.993 0.632 422 2HG MET 55 2HG MET 55 5.863 -8.390 -0.923 423 1HE MET 55 1HE MET 55 8.660 -9.609 1.959 424 2HE MET 55 2HE MET 55 7.182 -10.255 1.247 425 3HE MET 55 3HE MET 55 7.102 -9.293 2.722 426 H LYS 56 H LYS 56 1.670 -8.078 1.311 427 HA LYS 56 HA LYS 56 2.464 -10.343 2.956 428 1HB LYS 56 1HB LYS 56 0.350 -9.025 3.397 429 2HB LYS 56 2HB LYS 56 -0.305 -9.720 1.927 430 1HG LYS 56 1HG LYS 56 -1.027 -11.421 3.131 431 2HG LYS 56 2HG LYS 56 0.652 -11.893 3.394 432 1HD LYS 56 1HD LYS 56 0.318 -11.541 5.571 433 2HD LYS 56 2HD LYS 56 0.171 -9.820 5.210 434 1HE LYS 56 1HE LYS 56 -2.139 -11.746 5.048 435 2HE LYS 56 2HE LYS 56 -1.738 -10.844 6.508 436 1HZ LYS 56 1HZ LYS 56 -3.329 -9.545 5.457 437 2HZ LYS 56 2HZ LYS 56 -2.694 -9.814 3.912 438 3HZ LYS 56 3HZ LYS 56 -1.878 -8.805 4.997 439 H ASN 57 H ASN 57 -0.105 -11.269 1.019 440 HA ASN 57 HA ASN 57 -0.340 -12.605 -0.793 441 1HB ASN 57 1HB ASN 57 1.154 -10.979 -1.937 442 2HB ASN 57 2HB ASN 57 2.531 -11.965 -1.465 443 1HD2 ASN 57 1HD2 ASN 57 -0.590 -12.196 -3.129 444 2HD2 ASN 57 2HD2 ASN 57 -0.060 -13.338 -4.314 445 H HIS 58 H HIS 58 2.592 -13.097 1.174 446 HA HIS 58 HA HIS 58 3.106 -15.845 0.496 447 1HB HIS 58 1HB HIS 58 3.838 -14.019 2.770 448 2HB HIS 58 2HB HIS 58 4.399 -15.679 2.613 449 HD1 HIS 58 HD1 HIS 58 5.991 -12.790 2.448 450 HD2 HIS 58 HD2 HIS 58 5.264 -15.555 -0.567 451 HE1 HIS 58 HE1 HIS 58 7.776 -12.385 0.723 452 HE2 HIS 58 HE2 HIS 58 7.347 -14.104 -1.070 453 H ASP 59 H ASP 59 0.250 -15.124 1.241 454 HA ASP 59 HA ASP 59 -0.122 -16.398 3.782 455 1HB ASP 59 1HB ASP 59 -2.133 -15.599 1.667 456 2HB ASP 59 2HB ASP 59 -2.528 -16.128 3.299 Start of MODEL 6 1 1H MET 1 1H MET 1 -1.111 -11.582 -5.252 2 2H MET 1 2H MET 1 -2.278 -10.385 -4.881 3 3H MET 1 3H MET 1 -1.847 -11.559 -3.706 4 HA MET 1 HA MET 1 0.318 -10.690 -3.530 5 1HB MET 1 1HB MET 1 -0.543 -8.615 -5.557 6 2HB MET 1 2HB MET 1 1.057 -8.817 -4.859 7 1HG MET 1 1HG MET 1 0.376 -11.268 -6.076 8 2HG MET 1 2HG MET 1 -0.043 -9.990 -7.213 9 1HE MET 1 1HE MET 1 3.223 -8.283 -8.048 10 2HE MET 1 2HE MET 1 1.566 -7.951 -7.546 11 3HE MET 1 3HE MET 1 1.877 -9.036 -8.901 12 H GLU 2 H GLU 2 -1.256 -10.505 -1.609 13 HA GLU 2 HA GLU 2 -2.255 -7.790 -1.291 14 1HB GLU 2 1HB GLU 2 -3.685 -9.893 -0.841 15 2HB GLU 2 2HB GLU 2 -2.761 -10.007 0.640 16 1HG GLU 2 1HG GLU 2 -3.539 -7.887 1.389 17 2HG GLU 2 2HG GLU 2 -4.361 -7.608 -0.144 18 H ALA 3 H ALA 3 -1.987 -6.675 0.695 19 HA ALA 3 HA ALA 3 0.197 -7.463 2.453 20 1HB ALA 3 1HB ALA 3 1.060 -6.076 0.489 21 2HB ALA 3 2HB ALA 3 1.541 -5.607 2.109 22 3HB ALA 3 3HB ALA 3 0.260 -4.730 1.278 23 H ILE 4 H ILE 4 0.497 -5.921 4.233 24 HA ILE 4 HA ILE 4 -2.008 -4.580 4.972 25 HB ILE 4 HB ILE 4 -1.737 -6.906 6.004 26 1HG1 ILE 4 1HG1 ILE 4 -2.111 -5.057 8.252 27 2HG1 ILE 4 2HG1 ILE 4 -3.055 -4.692 6.817 28 1HG2 ILE 4 1HG2 ILE 4 -0.361 -6.036 8.336 29 2HG2 ILE 4 2HG2 ILE 4 0.682 -5.804 6.936 30 3HG2 ILE 4 3HG2 ILE 4 -0.009 -7.376 7.267 31 1HD1 ILE 4 1HD1 ILE 4 -3.017 -7.424 8.042 32 2HD1 ILE 4 2HD1 ILE 4 -4.163 -6.753 6.889 33 3HD1 ILE 4 3HD1 ILE 4 -4.144 -6.167 8.551 34 H ALA 5 H ALA 5 -1.840 -2.737 6.133 35 HA ALA 5 HA ALA 5 0.654 -1.358 6.144 36 1HB ALA 5 1HB ALA 5 -1.499 -0.244 5.796 37 2HB ALA 5 2HB ALA 5 -0.589 0.474 7.123 38 3HB ALA 5 3HB ALA 5 -1.948 -0.600 7.463 39 H LYS 6 H LYS 6 2.214 -1.426 7.613 40 HA LYS 6 HA LYS 6 1.690 -2.581 10.264 41 1HB LYS 6 1HB LYS 6 4.371 -1.476 9.604 42 2HB LYS 6 2HB LYS 6 3.948 -2.931 10.489 43 1HG LYS 6 1HG LYS 6 4.302 -4.175 8.700 44 2HG LYS 6 2HG LYS 6 3.163 -3.221 7.750 45 1HD LYS 6 1HD LYS 6 5.093 -2.870 6.563 46 2HD LYS 6 2HD LYS 6 5.166 -1.510 7.677 47 1HE LYS 6 1HE LYS 6 6.467 -4.147 8.284 48 2HE LYS 6 2HE LYS 6 7.288 -2.896 7.351 49 1HZ LYS 6 1HZ LYS 6 6.475 -1.475 9.434 50 2HZ LYS 6 2HZ LYS 6 7.968 -2.271 9.393 51 3HZ LYS 6 3HZ LYS 6 6.653 -2.980 10.188 52 H HIS 7 H HIS 7 1.959 0.442 8.758 53 HA HIS 7 HA HIS 7 1.479 1.771 11.291 54 1HB HIS 7 1HB HIS 7 3.673 2.794 9.480 55 2HB HIS 7 2HB HIS 7 3.223 3.398 11.071 56 HD1 HIS 7 HD1 HIS 7 3.796 1.761 13.123 57 HD2 HIS 7 HD2 HIS 7 5.577 0.826 9.486 58 HE1 HIS 7 HE1 HIS 7 5.670 0.178 13.678 59 HE2 HIS 7 HE2 HIS 7 6.665 -0.454 11.452 60 H ASP 8 H ASP 8 1.233 4.195 10.788 61 HA ASP 8 HA ASP 8 -0.908 4.338 8.883 62 1HB ASP 8 1HB ASP 8 0.270 6.530 10.616 63 2HB ASP 8 2HB ASP 8 -1.292 6.573 9.806 64 H PHE 9 H PHE 9 -1.001 5.568 6.975 65 HA PHE 9 HA PHE 9 1.429 7.018 6.311 66 1HB PHE 9 1HB PHE 9 2.151 5.486 4.860 67 2HB PHE 9 2HB PHE 9 0.717 4.509 5.123 68 HD1 PHE 9 HD1 PHE 9 1.862 7.494 3.191 69 HD2 PHE 9 HD2 PHE 9 -0.679 4.084 3.344 70 HE1 PHE 9 HE1 PHE 9 1.174 7.899 0.861 71 HE2 PHE 9 HE2 PHE 9 -1.381 4.501 1.029 72 HZ PHE 9 HZ PHE 9 -0.447 6.401 -0.223 73 H SER 10 H SER 10 1.159 8.836 5.282 74 HA SER 10 HA SER 10 -1.347 9.398 3.826 75 1HB SER 10 1HB SER 10 -1.447 10.615 5.963 76 2HB SER 10 2HB SER 10 0.186 11.233 5.716 77 HG SER 10 HG SER 10 -1.993 11.766 3.979 78 H ALA 11 H ALA 11 -1.100 10.030 1.861 79 HA ALA 11 HA ALA 11 1.210 9.707 0.435 80 1HB ALA 11 1HB ALA 11 -0.012 11.302 -1.225 81 2HB ALA 11 2HB ALA 11 -1.338 11.139 -0.075 82 3HB ALA 11 3HB ALA 11 -0.667 9.707 -0.854 83 H THR 12 H THR 12 2.869 10.815 -0.162 84 HA THR 12 HA THR 12 3.142 13.566 0.813 85 HB THR 12 HB THR 12 5.068 11.257 0.585 86 HG1 THR 12 HG1 THR 12 5.121 11.522 2.657 87 1HG2 THR 12 1HG2 THR 12 6.664 13.367 1.374 88 2HG2 THR 12 2HG2 THR 12 5.813 13.998 -0.029 89 3HG2 THR 12 3HG2 THR 12 6.743 12.506 -0.161 90 H ALA 13 H ALA 13 2.171 12.179 -1.788 91 HA ALA 13 HA ALA 13 3.055 14.342 -3.494 92 1HB ALA 13 1HB ALA 13 4.808 12.764 -3.931 93 2HB ALA 13 2HB ALA 13 3.701 12.738 -5.304 94 3HB ALA 13 3HB ALA 13 3.647 11.447 -4.105 95 H ASP 14 H ASP 14 1.858 14.320 -5.532 96 HA ASP 14 HA ASP 14 -0.894 14.056 -5.067 97 1HB ASP 14 1HB ASP 14 0.794 15.144 -7.096 98 2HB ASP 14 2HB ASP 14 -0.492 14.217 -7.861 99 H ASP 15 H ASP 15 1.353 11.889 -6.579 100 HA ASP 15 HA ASP 15 -0.781 10.290 -7.701 101 1HB ASP 15 1HB ASP 15 1.094 8.952 -8.639 102 2HB ASP 15 2HB ASP 15 1.133 10.654 -9.084 103 H GLU 16 H GLU 16 -0.087 10.456 -4.707 104 HA GLU 16 HA GLU 16 0.272 7.589 -4.169 105 1HB GLU 16 1HB GLU 16 0.973 10.065 -2.660 106 2HB GLU 16 2HB GLU 16 0.728 8.552 -1.799 107 1HG GLU 16 1HG GLU 16 2.464 8.219 -4.090 108 2HG GLU 16 2HG GLU 16 3.071 9.436 -2.969 109 H LEU 17 H LEU 17 -0.887 6.811 -2.179 110 HA LEU 17 HA LEU 17 -3.584 8.005 -2.094 111 1HB LEU 17 1HB LEU 17 -2.725 5.244 -2.445 112 2HB LEU 17 2HB LEU 17 -3.850 5.402 -1.120 113 HG LEU 17 HG LEU 17 -4.300 5.950 -4.024 114 1HD1 LEU 17 1HD1 LEU 17 -5.384 4.033 -3.906 115 2HD1 LEU 17 2HD1 LEU 17 -6.470 4.715 -2.698 116 3HD1 LEU 17 3HD1 LEU 17 -4.989 3.903 -2.196 117 1HD2 LEU 17 1HD2 LEU 17 -6.628 6.694 -3.000 118 2HD2 LEU 17 2HD2 LEU 17 -5.362 7.832 -3.436 119 3HD2 LEU 17 3HD2 LEU 17 -5.562 7.329 -1.755 120 H SER 18 H SER 18 -4.187 6.106 0.274 121 HA SER 18 HA SER 18 -2.415 7.099 2.319 122 1HB SER 18 1HB SER 18 -4.364 7.952 3.671 123 2HB SER 18 2HB SER 18 -3.990 8.933 2.255 124 HG SER 18 HG SER 18 -5.682 7.323 1.295 125 H PHE 19 H PHE 19 -2.689 5.880 4.329 126 HA PHE 19 HA PHE 19 -4.649 3.769 4.424 127 1HB PHE 19 1HB PHE 19 -2.400 3.245 2.930 128 2HB PHE 19 2HB PHE 19 -1.950 2.606 4.504 129 HD1 PHE 19 HD1 PHE 19 -2.872 0.598 5.309 130 HD2 PHE 19 HD2 PHE 19 -4.410 2.362 1.769 131 HE1 PHE 19 HE1 PHE 19 -4.093 -1.464 4.812 132 HE2 PHE 19 HE2 PHE 19 -5.641 0.291 1.287 133 HZ PHE 19 HZ PHE 19 -5.498 -1.608 2.807 134 H ARG 20 H ARG 20 -4.765 2.695 6.383 135 HA ARG 20 HA ARG 20 -3.158 3.895 8.536 136 1HB ARG 20 1HB ARG 20 -5.553 4.521 8.552 137 2HB ARG 20 2HB ARG 20 -5.979 2.821 8.637 138 1HG ARG 20 1HG ARG 20 -6.161 3.954 10.798 139 2HG ARG 20 2HG ARG 20 -5.007 2.624 10.820 140 1HD ARG 20 1HD ARG 20 -4.518 5.081 11.832 141 2HD ARG 20 2HD ARG 20 -3.274 3.976 11.271 142 HE ARG 20 HE ARG 20 -2.848 5.385 9.518 143 1HH1 ARG 20 1HH1 ARG 20 -5.879 6.292 10.964 144 2HH1 ARG 20 2HH1 ARG 20 -5.996 7.777 10.080 145 1HH2 ARG 20 1HH2 ARG 20 -2.989 7.334 8.365 146 2HH2 ARG 20 2HH2 ARG 20 -4.357 8.370 8.605 147 H LYS 21 H LYS 21 -2.660 2.586 10.366 148 HA LYS 21 HA LYS 21 -1.609 0.060 9.845 149 1HB LYS 21 1HB LYS 21 -0.787 1.435 11.638 150 2HB LYS 21 2HB LYS 21 -2.354 1.428 12.431 151 1HG LYS 21 1HG LYS 21 -1.218 -1.230 11.992 152 2HG LYS 21 2HG LYS 21 -0.272 -0.190 13.060 153 1HD LYS 21 1HD LYS 21 -1.747 -0.419 14.718 154 2HD LYS 21 2HD LYS 21 -3.096 -0.008 13.657 155 1HE LYS 21 1HE LYS 21 -3.541 -2.188 14.433 156 2HE LYS 21 2HE LYS 21 -2.949 -2.381 12.783 157 1HZ LYS 21 1HZ LYS 21 -0.861 -2.453 14.752 158 2HZ LYS 21 2HZ LYS 21 -1.187 -3.523 13.484 159 3HZ LYS 21 3HZ LYS 21 -2.001 -3.687 14.958 160 H GLY 22 H GLY 22 -2.388 -1.934 9.897 161 1HA GLY 22 1HA GLY 22 -3.752 -3.680 10.706 162 2HA GLY 22 2HA GLY 22 -4.936 -2.491 11.219 163 H GLN 23 H GLN 23 -4.612 -1.234 8.409 164 HA GLN 23 HA GLN 23 -6.781 -2.754 7.292 165 1HB GLN 23 1HB GLN 23 -5.332 -0.414 6.069 166 2HB GLN 23 2HB GLN 23 -6.876 -1.073 5.548 167 1HG GLN 23 1HG GLN 23 -6.345 0.157 8.241 168 2HG GLN 23 2HG GLN 23 -7.070 1.000 6.872 169 1HE2 GLN 23 1HE2 GLN 23 -7.502 -1.540 9.231 170 2HE2 GLN 23 2HE2 GLN 23 -9.219 -1.654 9.082 171 H ILE 24 H ILE 24 -6.872 -3.456 4.990 172 HA ILE 24 HA ILE 24 -4.267 -4.588 4.215 173 HB ILE 24 HB ILE 24 -6.447 -5.880 2.843 174 1HG1 ILE 24 1HG1 ILE 24 -7.767 -5.275 4.847 175 2HG1 ILE 24 2HG1 ILE 24 -7.498 -7.010 4.727 176 1HG2 ILE 24 1HG2 ILE 24 -5.214 -7.688 4.552 177 2HG2 ILE 24 2HG2 ILE 24 -3.969 -6.494 4.190 178 3HG2 ILE 24 3HG2 ILE 24 -4.784 -7.341 2.880 179 1HD1 ILE 24 1HD1 ILE 24 -6.844 -5.221 6.853 180 2HD1 ILE 24 2HD1 ILE 24 -5.390 -6.006 6.251 181 3HD1 ILE 24 3HD1 ILE 24 -6.750 -6.982 6.799 182 H LEU 25 H LEU 25 -3.328 -3.649 2.600 183 HA LEU 25 HA LEU 25 -4.878 -2.261 0.538 184 1HB LEU 25 1HB LEU 25 -2.633 -1.356 -0.109 185 2HB LEU 25 2HB LEU 25 -3.185 -0.925 1.491 186 HG LEU 25 HG LEU 25 -1.702 -3.186 1.978 187 1HD1 LEU 25 1HD1 LEU 25 0.276 -1.743 0.436 188 2HD1 LEU 25 2HD1 LEU 25 -0.986 -2.424 -0.589 189 3HD1 LEU 25 3HD1 LEU 25 -0.072 -3.466 0.492 190 1HD2 LEU 25 1HD2 LEU 25 0.042 -1.085 2.300 191 2HD2 LEU 25 2HD2 LEU 25 -1.117 -1.656 3.491 192 3HD2 LEU 25 3HD2 LEU 25 -1.536 -0.323 2.413 193 H LYS 26 H LYS 26 -4.681 -2.773 -1.689 194 HA LYS 26 HA LYS 26 -3.550 -5.418 -2.250 195 1HB LYS 26 1HB LYS 26 -5.875 -5.081 -2.874 196 2HB LYS 26 2HB LYS 26 -5.444 -3.677 -3.838 197 1HG LYS 26 1HG LYS 26 -5.829 -5.519 -5.303 198 2HG LYS 26 2HG LYS 26 -4.102 -5.160 -5.306 199 1HD LYS 26 1HD LYS 26 -4.116 -7.466 -5.134 200 2HD LYS 26 2HD LYS 26 -3.996 -6.975 -3.443 201 1HE LYS 26 1HE LYS 26 -5.827 -8.157 -3.012 202 2HE LYS 26 2HE LYS 26 -6.741 -7.064 -4.048 203 1HZ LYS 26 1HZ LYS 26 -6.536 -8.483 -5.858 204 2HZ LYS 26 2HZ LYS 26 -6.800 -9.549 -4.571 205 3HZ LYS 26 3HZ LYS 26 -5.238 -9.337 -5.187 206 H ILE 27 H ILE 27 -1.643 -5.624 -3.235 207 HA ILE 27 HA ILE 27 -0.374 -3.315 -4.458 208 HB ILE 27 HB ILE 27 0.736 -6.110 -4.252 209 1HG1 ILE 27 1HG1 ILE 27 1.760 -4.168 -2.337 210 2HG1 ILE 27 2HG1 ILE 27 0.044 -4.487 -2.108 211 1HG2 ILE 27 1HG2 ILE 27 1.694 -4.146 -5.749 212 2HG2 ILE 27 2HG2 ILE 27 2.752 -5.257 -4.878 213 3HG2 ILE 27 3HG2 ILE 27 2.407 -3.660 -4.212 214 1HD1 ILE 27 1HD1 ILE 27 0.897 -6.110 -0.814 215 2HD1 ILE 27 2HD1 ILE 27 2.369 -6.276 -1.758 216 3HD1 ILE 27 3HD1 ILE 27 0.861 -6.990 -2.332 217 H LEU 28 H LEU 28 -0.448 -2.868 -6.513 218 HA LEU 28 HA LEU 28 -1.185 -4.946 -8.483 219 1HB LEU 28 1HB LEU 28 -1.433 -1.962 -8.769 220 2HB LEU 28 2HB LEU 28 -2.081 -3.190 -9.836 221 HG LEU 28 HG LEU 28 -3.054 -3.464 -7.098 222 1HD1 LEU 28 1HD1 LEU 28 -4.234 -1.127 -8.488 223 2HD1 LEU 28 2HD1 LEU 28 -2.716 -0.888 -7.623 224 3HD1 LEU 28 3HD1 LEU 28 -4.135 -1.493 -6.766 225 1HD2 LEU 28 1HD2 LEU 28 -3.859 -4.071 -9.717 226 2HD2 LEU 28 2HD2 LEU 28 -5.047 -2.927 -9.093 227 3HD2 LEU 28 3HD2 LEU 28 -4.715 -4.420 -8.216 228 H ASN 29 H ASN 29 0.975 -2.244 -7.799 229 HA ASN 29 HA ASN 29 3.007 -3.384 -9.554 230 1HB ASN 29 1HB ASN 29 3.308 -0.892 -10.429 231 2HB ASN 29 2HB ASN 29 2.320 -2.086 -11.256 232 1HD2 ASN 29 1HD2 ASN 29 2.394 1.001 -10.494 233 2HD2 ASN 29 2HD2 ASN 29 0.714 1.329 -10.287 234 H MET 30 H MET 30 5.130 -2.713 -8.990 235 HA MET 30 HA MET 30 5.321 -1.396 -6.402 236 1HB MET 30 1HB MET 30 7.263 -2.529 -6.080 237 2HB MET 30 2HB MET 30 6.563 -3.581 -7.295 238 1HG MET 30 1HG MET 30 7.991 -1.696 -8.763 239 2HG MET 30 2HG MET 30 9.004 -2.037 -7.362 240 1HE MET 30 1HE MET 30 10.861 -4.891 -8.185 241 2HE MET 30 2HE MET 30 10.702 -3.236 -7.599 242 3HE MET 30 3HE MET 30 11.023 -3.539 -9.306 243 H GLU 31 H GLU 31 5.331 -0.422 -9.555 244 HA GLU 31 HA GLU 31 5.602 1.617 -10.461 245 1HB GLU 31 1HB GLU 31 5.416 2.416 -8.051 246 2HB GLU 31 2HB GLU 31 7.167 2.578 -8.102 247 1HG GLU 31 1HG GLU 31 6.632 3.902 -10.325 248 2HG GLU 31 2HG GLU 31 5.065 4.114 -9.547 249 H ASP 32 H ASP 32 8.248 3.017 -9.501 250 HA ASP 32 HA ASP 32 9.879 1.500 -11.321 251 1HB ASP 32 1HB ASP 32 11.184 3.544 -11.844 252 2HB ASP 32 2HB ASP 32 9.516 3.505 -12.404 253 H ASP 33 H ASP 33 9.664 1.531 -8.257 254 HA ASP 33 HA ASP 33 12.374 0.748 -7.993 255 1HB ASP 33 1HB ASP 33 12.903 2.455 -6.212 256 2HB ASP 33 2HB ASP 33 12.733 3.114 -7.836 257 H SER 34 H SER 34 12.862 0.074 -5.809 258 HA SER 34 HA SER 34 10.793 -1.545 -4.642 259 1HB SER 34 1HB SER 34 12.573 -2.125 -3.037 260 2HB SER 34 2HB SER 34 13.071 -2.332 -4.715 261 HG SER 34 HG SER 34 14.717 -1.212 -3.927 262 H ASN 35 H ASN 35 11.899 1.790 -3.968 263 HA ASN 35 HA ASN 35 11.017 1.482 -1.244 264 1HB ASN 35 1HB ASN 35 12.852 3.160 -2.504 265 2HB ASN 35 2HB ASN 35 11.590 4.223 -1.892 266 1HD2 ASN 35 1HD2 ASN 35 10.905 3.714 0.399 267 2HD2 ASN 35 2HD2 ASN 35 12.186 3.398 1.506 268 H TRP 36 H TRP 36 9.297 2.126 -3.983 269 HA TRP 36 HA TRP 36 7.167 3.342 -2.386 270 1HB TRP 36 1HB TRP 36 8.184 4.316 -5.062 271 2HB TRP 36 2HB TRP 36 6.569 4.699 -4.475 272 HD1 TRP 36 HD1 TRP 36 10.073 5.909 -4.334 273 HE1 TRP 36 HE1 TRP 36 10.300 7.830 -2.636 274 HE3 TRP 36 HE3 TRP 36 5.558 5.459 -1.983 275 HZ2 TRP 36 HZ2 TRP 36 8.771 9.004 -0.578 276 HZ3 TRP 36 HZ3 TRP 36 5.018 7.017 -0.157 277 HH2 TRP 36 HH2 TRP 36 6.594 8.753 0.532 278 H TYR 37 H TYR 37 5.222 2.301 -2.774 279 HA TYR 37 HA TYR 37 5.175 0.415 -5.042 280 1HB TYR 37 1HB TYR 37 4.357 0.097 -2.177 281 2HB TYR 37 2HB TYR 37 3.523 -0.833 -3.414 282 HD1 TYR 37 HD1 TYR 37 4.317 -2.857 -2.211 283 HD2 TYR 37 HD2 TYR 37 7.048 -0.150 -4.016 284 HE1 TYR 37 HE1 TYR 37 6.079 -4.564 -2.111 285 HE2 TYR 37 HE2 TYR 37 8.814 -1.844 -3.922 286 HH TYR 37 HH TYR 37 9.353 -3.916 -3.319 287 H ARG 38 H ARG 38 2.864 -0.320 -5.527 288 HA ARG 38 HA ARG 38 1.051 1.987 -5.359 289 1HB ARG 38 1HB ARG 38 1.784 1.976 -7.607 290 2HB ARG 38 2HB ARG 38 1.698 0.230 -7.716 291 1HG ARG 38 1HG ARG 38 -0.259 0.471 -8.706 292 2HG ARG 38 2HG ARG 38 -0.913 1.019 -7.170 293 1HD ARG 38 1HD ARG 38 -1.029 3.156 -7.853 294 2HD ARG 38 2HD ARG 38 0.531 3.075 -8.667 295 HE ARG 38 HE ARG 38 -0.624 2.864 -10.606 296 1HH1 ARG 38 1HH1 ARG 38 -2.576 1.491 -8.065 297 2HH1 ARG 38 2HH1 ARG 38 -3.866 1.076 -9.133 298 1HH2 ARG 38 1HH2 ARG 38 -2.347 2.332 -11.997 299 2HH2 ARG 38 2HH2 ARG 38 -3.757 1.564 -11.348 300 H ALA 39 H ALA 39 -0.857 1.584 -4.445 301 HA ALA 39 HA ALA 39 -1.941 -1.125 -4.612 302 1HB ALA 39 1HB ALA 39 -0.615 -0.770 -2.470 303 2HB ALA 39 2HB ALA 39 -2.252 -1.407 -2.312 304 3HB ALA 39 3HB ALA 39 -1.930 0.295 -1.974 305 H GLU 40 H GLU 40 -4.154 -1.333 -3.918 306 HA GLU 40 HA GLU 40 -5.751 1.084 -4.485 307 1HB GLU 40 1HB GLU 40 -6.137 -0.528 -6.189 308 2HB GLU 40 2HB GLU 40 -6.172 -1.851 -5.037 309 1HG GLU 40 1HG GLU 40 -8.297 -0.599 -4.136 310 2HG GLU 40 2HG GLU 40 -8.305 0.097 -5.755 311 H LEU 41 H LEU 41 -7.415 1.643 -3.090 312 HA LEU 41 HA LEU 41 -8.227 -0.144 -0.951 313 1HB LEU 41 1HB LEU 41 -6.571 0.813 0.312 314 2HB LEU 41 2HB LEU 41 -6.618 2.332 -0.545 315 HG LEU 41 HG LEU 41 -9.077 2.196 0.803 316 1HD1 LEU 41 1HD1 LEU 41 -8.309 1.915 3.166 317 2HD1 LEU 41 2HD1 LEU 41 -6.841 1.193 2.533 318 3HD1 LEU 41 3HD1 LEU 41 -8.393 0.424 2.231 319 1HD2 LEU 41 1HD2 LEU 41 -7.384 4.094 0.351 320 2HD2 LEU 41 2HD2 LEU 41 -6.692 3.625 1.903 321 3HD2 LEU 41 3HD2 LEU 41 -8.372 4.156 1.810 322 H ASP 42 H ASP 42 -10.326 0.062 -0.554 323 HA ASP 42 HA ASP 42 -12.496 0.683 -0.802 324 1HB ASP 42 1HB ASP 42 -11.496 2.567 0.660 325 2HB ASP 42 2HB ASP 42 -11.633 3.557 -0.789 326 H GLY 43 H GLY 43 -11.302 0.063 -3.197 327 1HA GLY 43 1HA GLY 43 -11.783 0.169 -5.461 328 2HA GLY 43 2HA GLY 43 -13.086 1.276 -5.055 329 H LYS 44 H LYS 44 -10.059 2.245 -3.904 330 HA LYS 44 HA LYS 44 -9.736 4.138 -6.141 331 1HB LYS 44 1HB LYS 44 -10.305 4.765 -3.536 332 2HB LYS 44 2HB LYS 44 -8.548 4.796 -3.505 333 1HG LYS 44 1HG LYS 44 -8.904 6.272 -5.679 334 2HG LYS 44 2HG LYS 44 -10.456 6.589 -4.901 335 1HD LYS 44 1HD LYS 44 -8.081 6.765 -3.174 336 2HD LYS 44 2HD LYS 44 -8.216 8.011 -4.414 337 1HE LYS 44 1HE LYS 44 -10.597 8.341 -3.568 338 2HE LYS 44 2HE LYS 44 -10.122 7.355 -2.186 339 1HZ LYS 44 1HZ LYS 44 -9.558 10.097 -2.726 340 2HZ LYS 44 2HZ LYS 44 -8.139 9.229 -2.416 341 3HZ LYS 44 3HZ LYS 44 -9.395 9.230 -1.282 342 H GLU 45 H GLU 45 -7.657 4.348 -6.990 343 HA GLU 45 HA GLU 45 -5.678 2.484 -5.878 344 1HB GLU 45 1HB GLU 45 -6.119 3.520 -8.670 345 2HB GLU 45 2HB GLU 45 -4.548 2.899 -8.191 346 1HG GLU 45 1HG GLU 45 -5.232 0.838 -8.597 347 2HG GLU 45 2HG GLU 45 -6.502 1.009 -7.394 348 H GLY 46 H GLY 46 -3.383 3.180 -6.120 349 1HA GLY 46 1HA GLY 46 -2.568 5.835 -6.321 350 2HA GLY 46 2HA GLY 46 -3.089 5.571 -4.675 351 H LEU 47 H LEU 47 -0.756 6.276 -4.600 352 HA LEU 47 HA LEU 47 1.024 3.933 -4.699 353 1HB LEU 47 1HB LEU 47 1.390 6.740 -5.382 354 2HB LEU 47 2HB LEU 47 2.609 6.178 -4.269 355 HG LEU 47 HG LEU 47 2.799 4.186 -5.975 356 1HD1 LEU 47 1HD1 LEU 47 1.710 4.412 -7.886 357 2HD1 LEU 47 2HD1 LEU 47 2.489 5.966 -8.174 358 3HD1 LEU 47 3HD1 LEU 47 0.968 5.894 -7.285 359 1HD2 LEU 47 1HD2 LEU 47 4.403 6.160 -5.308 360 2HD2 LEU 47 2HD2 LEU 47 4.006 6.730 -6.930 361 3HD2 LEU 47 3HD2 LEU 47 4.731 5.140 -6.706 362 H ILE 48 H ILE 48 2.406 3.524 -2.892 363 HA ILE 48 HA ILE 48 1.737 4.984 -0.421 364 HB ILE 48 HB ILE 48 1.626 2.891 0.840 365 1HG1 ILE 48 1HG1 ILE 48 1.725 1.470 -1.828 366 2HG1 ILE 48 2HG1 ILE 48 3.096 1.581 -0.727 367 1HG2 ILE 48 1HG2 ILE 48 -0.489 1.971 -0.227 368 2HG2 ILE 48 2HG2 ILE 48 -0.235 3.160 -1.504 369 3HG2 ILE 48 3HG2 ILE 48 -0.470 3.683 0.150 370 1HD1 ILE 48 1HD1 ILE 48 1.998 0.296 0.899 371 2HD1 ILE 48 2HD1 ILE 48 1.793 -0.543 -0.635 372 3HD1 ILE 48 3HD1 ILE 48 0.457 0.384 0.050 373 HA PRO 49 HA PRO 49 6.089 4.659 0.196 374 1HB PRO 49 1HB PRO 49 6.361 4.968 2.893 375 2HB PRO 49 2HB PRO 49 5.846 6.298 1.851 376 1HG PRO 49 1HG PRO 49 4.237 4.580 3.662 377 2HG PRO 49 2HG PRO 49 4.000 6.276 3.221 378 1HD PRO 49 1HD PRO 49 2.616 4.080 2.156 379 2HD PRO 49 2HD PRO 49 2.655 5.714 1.483 380 H SER 50 H SER 50 7.172 2.813 -0.063 381 HA SER 50 HA SER 50 6.314 0.304 0.557 382 1HB SER 50 1HB SER 50 8.449 -0.510 -0.107 383 2HB SER 50 2HB SER 50 8.131 0.944 -1.055 384 HG SER 50 HG SER 50 10.273 0.764 -0.065 385 H ASN 51 H ASN 51 8.525 2.115 2.602 386 HA ASN 51 HA ASN 51 9.071 -0.012 4.398 387 1HB ASN 51 1HB ASN 51 9.260 2.985 4.673 388 2HB ASN 51 2HB ASN 51 9.791 1.872 5.929 389 1HD2 ASN 51 1HD2 ASN 51 10.722 3.590 3.265 390 2HD2 ASN 51 2HD2 ASN 51 12.189 2.753 2.908 391 H TYR 52 H TYR 52 6.201 1.757 3.978 392 HA TYR 52 HA TYR 52 5.368 1.437 6.771 393 1HB TYR 52 1HB TYR 52 4.229 2.886 4.411 394 2HB TYR 52 2HB TYR 52 3.251 2.578 5.841 395 HD1 TYR 52 HD1 TYR 52 6.700 3.845 5.084 396 HD2 TYR 52 HD2 TYR 52 3.128 4.312 7.353 397 HE1 TYR 52 HE1 TYR 52 7.648 5.837 6.163 398 HE2 TYR 52 HE2 TYR 52 4.075 6.307 8.433 399 HH TYR 52 HH TYR 52 5.756 7.804 8.386 400 H ILE 53 H ILE 53 5.426 -0.671 4.269 401 HA ILE 53 HA ILE 53 2.977 -1.968 5.237 402 HB ILE 53 HB ILE 53 2.404 -2.706 2.964 403 1HG1 ILE 53 1HG1 ILE 53 4.221 -0.598 1.850 404 2HG1 ILE 53 2HG1 ILE 53 4.864 -2.203 2.185 405 1HG2 ILE 53 1HG2 ILE 53 1.158 -0.893 3.774 406 2HG2 ILE 53 2HG2 ILE 53 1.670 -0.421 2.161 407 3HG2 ILE 53 3HG2 ILE 53 2.497 0.234 3.566 408 1HD1 ILE 53 1HD1 ILE 53 2.475 -1.687 0.450 409 2HD1 ILE 53 2HD1 ILE 53 3.328 -3.208 0.659 410 3HD1 ILE 53 3HD1 ILE 53 4.117 -1.858 -0.158 411 H GLU 54 H GLU 54 2.825 -4.269 4.485 412 HA GLU 54 HA GLU 54 5.316 -5.597 3.856 413 1HB GLU 54 1HB GLU 54 5.136 -5.142 6.439 414 2HB GLU 54 2HB GLU 54 4.001 -6.480 6.406 415 1HG GLU 54 1HG GLU 54 6.448 -6.960 6.975 416 2HG GLU 54 2HG GLU 54 5.632 -8.022 5.832 417 H MET 55 H MET 55 5.015 -7.677 3.054 418 HA MET 55 HA MET 55 2.764 -8.279 1.674 419 1HB MET 55 1HB MET 55 3.551 -10.791 2.067 420 2HB MET 55 2HB MET 55 4.424 -9.679 1.025 421 1HG MET 55 1HG MET 55 6.241 -9.758 2.296 422 2HG MET 55 2HG MET 55 5.319 -9.525 3.780 423 1HE MET 55 1HE MET 55 7.057 -12.871 1.682 424 2HE MET 55 2HE MET 55 7.910 -12.573 3.197 425 3HE MET 55 3HE MET 55 7.608 -11.243 2.079 426 H LYS 56 H LYS 56 0.801 -9.064 2.000 427 HA LYS 56 HA LYS 56 0.123 -10.659 4.289 428 1HB LYS 56 1HB LYS 56 0.017 -7.968 4.732 429 2HB LYS 56 2HB LYS 56 -1.629 -8.300 4.211 430 1HG LYS 56 1HG LYS 56 -1.706 -8.540 6.527 431 2HG LYS 56 2HG LYS 56 -1.592 -10.195 5.935 432 1HD LYS 56 1HD LYS 56 0.776 -10.252 6.420 433 2HD LYS 56 2HD LYS 56 0.756 -8.553 6.877 434 1HE LYS 56 1HE LYS 56 0.733 -9.786 8.897 435 2HE LYS 56 2HE LYS 56 -0.902 -9.163 8.673 436 1HZ LYS 56 1HZ LYS 56 -0.388 -11.690 9.254 437 2HZ LYS 56 2HZ LYS 56 -0.356 -11.796 7.567 438 3HZ LYS 56 3HZ LYS 56 -1.737 -11.215 8.351 439 H ASN 57 H ASN 57 -0.149 -11.772 2.122 440 HA ASN 57 HA ASN 57 -2.747 -11.252 0.902 441 1HB ASN 57 1HB ASN 57 -2.074 -12.692 -0.899 442 2HB ASN 57 2HB ASN 57 -0.760 -11.569 -0.564 443 1HD2 ASN 57 1HD2 ASN 57 -1.407 -14.653 -1.296 444 2HD2 ASN 57 2HD2 ASN 57 -0.024 -15.425 -0.603 445 H HIS 58 H HIS 58 -1.192 -13.373 3.048 446 HA HIS 58 HA HIS 58 -1.788 -15.139 4.214 447 1HB HIS 58 1HB HIS 58 -4.196 -13.529 4.012 448 2HB HIS 58 2HB HIS 58 -4.519 -15.218 4.387 449 HD1 HIS 58 HD1 HIS 58 -4.189 -12.253 6.112 450 HD2 HIS 58 HD2 HIS 58 -2.377 -15.964 6.555 451 HE1 HIS 58 HE1 HIS 58 -3.368 -12.320 8.488 452 HE2 HIS 58 HE2 HIS 58 -2.205 -14.544 8.709 453 H ASP 59 H ASP 59 -0.984 -16.358 2.326 454 HA ASP 59 HA ASP 59 -2.857 -18.477 1.721 455 1HB ASP 59 1HB ASP 59 -2.116 -16.467 -0.275 456 2HB ASP 59 2HB ASP 59 -1.785 -18.115 -0.800 Start of MODEL 7 1 1H MET 1 1H MET 1 -1.985 -10.971 -4.216 2 2H MET 1 2H MET 1 -0.829 -11.404 -5.407 3 3H MET 1 3H MET 1 -2.040 -10.242 -5.765 4 HA MET 1 HA MET 1 0.366 -10.017 -4.157 5 1HB MET 1 1HB MET 1 -0.767 -8.982 -6.597 6 2HB MET 1 2HB MET 1 -0.356 -7.655 -5.521 7 1HG MET 1 1HG MET 1 1.519 -8.027 -6.894 8 2HG MET 1 2HG MET 1 1.926 -8.669 -5.303 9 1HE MET 1 1HE MET 1 3.354 -11.160 -5.397 10 2HE MET 1 2HE MET 1 2.073 -12.352 -5.615 11 3HE MET 1 3HE MET 1 1.797 -10.936 -4.605 12 H GLU 2 H GLU 2 -0.764 -9.984 -2.002 13 HA GLU 2 HA GLU 2 -2.218 -7.496 -1.617 14 1HB GLU 2 1HB GLU 2 -2.673 -9.938 0.086 15 2HB GLU 2 2HB GLU 2 -3.664 -8.489 -0.025 16 1HG GLU 2 1HG GLU 2 -3.490 -9.650 -2.612 17 2HG GLU 2 2HG GLU 2 -3.910 -10.915 -1.457 18 H ALA 3 H ALA 3 -1.893 -6.404 0.356 19 HA ALA 3 HA ALA 3 0.254 -7.353 2.128 20 1HB ALA 3 1HB ALA 3 0.256 -4.791 0.573 21 2HB ALA 3 2HB ALA 3 1.530 -6.001 0.713 22 3HB ALA 3 3HB ALA 3 1.146 -4.959 2.083 23 H ILE 4 H ILE 4 0.527 -5.970 4.011 24 HA ILE 4 HA ILE 4 -2.023 -4.797 4.901 25 HB ILE 4 HB ILE 4 -1.854 -7.004 5.894 26 1HG1 ILE 4 1HG1 ILE 4 -2.616 -4.851 7.204 27 2HG1 ILE 4 2HG1 ILE 4 -2.513 -6.409 8.010 28 1HG2 ILE 4 1HG2 ILE 4 0.854 -6.563 5.935 29 2HG2 ILE 4 2HG2 ILE 4 0.006 -7.933 6.645 30 3HG2 ILE 4 3HG2 ILE 4 0.416 -6.542 7.643 31 1HD1 ILE 4 1HD1 ILE 4 -0.765 -4.029 8.271 32 2HD1 ILE 4 2HD1 ILE 4 -0.128 -5.617 8.663 33 3HD1 ILE 4 3HD1 ILE 4 -1.532 -4.990 9.525 34 H ALA 5 H ALA 5 -1.893 -2.926 6.037 35 HA ALA 5 HA ALA 5 0.566 -1.488 6.070 36 1HB ALA 5 1HB ALA 5 -2.085 -0.844 7.341 37 2HB ALA 5 2HB ALA 5 -1.549 -0.354 5.734 38 3HB ALA 5 3HB ALA 5 -0.737 0.278 7.167 39 H LYS 6 H LYS 6 2.131 -1.605 7.548 40 HA LYS 6 HA LYS 6 1.575 -2.820 10.168 41 1HB LYS 6 1HB LYS 6 3.871 -2.668 8.487 42 2HB LYS 6 2HB LYS 6 4.262 -1.853 9.996 43 1HG LYS 6 1HG LYS 6 3.072 -4.610 9.872 44 2HG LYS 6 2HG LYS 6 4.807 -4.298 9.918 45 1HD LYS 6 1HD LYS 6 4.707 -4.161 12.137 46 2HD LYS 6 2HD LYS 6 3.626 -2.776 11.991 47 1HE LYS 6 1HE LYS 6 2.024 -4.002 12.921 48 2HE LYS 6 2HE LYS 6 2.041 -5.032 11.491 49 1HZ LYS 6 1HZ LYS 6 3.390 -5.439 14.079 50 2HZ LYS 6 2HZ LYS 6 3.981 -6.191 12.684 51 3HZ LYS 6 3HZ LYS 6 2.405 -6.506 13.210 52 H HIS 7 H HIS 7 1.774 0.225 8.755 53 HA HIS 7 HA HIS 7 1.305 1.493 11.310 54 1HB HIS 7 1HB HIS 7 3.554 2.482 9.543 55 2HB HIS 7 2HB HIS 7 3.034 3.175 11.077 56 HD1 HIS 7 HD1 HIS 7 3.349 1.478 13.207 57 HD2 HIS 7 HD2 HIS 7 5.552 0.658 9.779 58 HE1 HIS 7 HE1 HIS 7 5.192 -0.065 13.945 59 HE2 HIS 7 HE2 HIS 7 6.435 -0.645 11.831 60 H ASP 8 H ASP 8 1.079 3.940 10.850 61 HA ASP 8 HA ASP 8 -1.038 4.089 8.907 62 1HB ASP 8 1HB ASP 8 -1.364 6.397 9.835 63 2HB ASP 8 2HB ASP 8 -1.423 5.127 11.053 64 H PHE 9 H PHE 9 -1.106 5.416 7.055 65 HA PHE 9 HA PHE 9 1.385 6.806 6.424 66 1HB PHE 9 1HB PHE 9 2.043 5.305 4.914 67 2HB PHE 9 2HB PHE 9 0.626 4.330 5.236 68 HD1 PHE 9 HD1 PHE 9 1.537 7.388 3.272 69 HD2 PHE 9 HD2 PHE 9 -0.599 3.727 3.449 70 HE1 PHE 9 HE1 PHE 9 0.832 7.688 0.932 71 HE2 PHE 9 HE2 PHE 9 -1.323 4.024 1.127 72 HZ PHE 9 HZ PHE 9 -0.596 6.013 -0.143 73 H SER 10 H SER 10 1.159 8.692 5.510 74 HA SER 10 HA SER 10 -1.333 9.358 4.080 75 1HB SER 10 1HB SER 10 -0.402 10.511 6.496 76 2HB SER 10 2HB SER 10 -0.029 11.684 5.234 77 HG SER 10 HG SER 10 -2.452 10.934 6.267 78 H ALA 11 H ALA 11 -1.097 9.960 2.125 79 HA ALA 11 HA ALA 11 1.200 9.708 0.642 80 1HB ALA 11 1HB ALA 11 -0.211 11.392 -0.884 81 2HB ALA 11 2HB ALA 11 -1.464 10.877 0.246 82 3HB ALA 11 3HB ALA 11 -0.583 9.678 -0.700 83 H THR 12 H THR 12 2.776 10.917 -0.042 84 HA THR 12 HA THR 12 2.960 13.662 0.969 85 HB THR 12 HB THR 12 4.952 11.439 0.694 86 HG1 THR 12 HG1 THR 12 5.326 11.948 2.727 87 1HG2 THR 12 1HG2 THR 12 6.868 12.773 0.665 88 2HG2 THR 12 2HG2 THR 12 5.952 14.267 0.858 89 3HG2 THR 12 3HG2 THR 12 5.884 13.379 -0.665 90 H ALA 13 H ALA 13 1.976 12.240 -1.641 91 HA ALA 13 HA ALA 13 2.670 14.492 -3.330 92 1HB ALA 13 1HB ALA 13 3.294 11.643 -4.115 93 2HB ALA 13 2HB ALA 13 4.473 12.914 -3.790 94 3HB ALA 13 3HB ALA 13 3.395 13.044 -5.181 95 H ASP 14 H ASP 14 1.405 14.451 -5.314 96 HA ASP 14 HA ASP 14 -1.308 14.079 -4.753 97 1HB ASP 14 1HB ASP 14 0.286 15.088 -6.979 98 2HB ASP 14 2HB ASP 14 -1.224 14.345 -7.498 99 H ASP 15 H ASP 15 0.939 11.991 -6.369 100 HA ASP 15 HA ASP 15 -1.190 10.332 -7.428 101 1HB ASP 15 1HB ASP 15 0.736 9.048 -8.411 102 2HB ASP 15 2HB ASP 15 0.580 10.724 -8.929 103 H GLU 16 H GLU 16 -0.383 10.470 -4.457 104 HA GLU 16 HA GLU 16 -0.049 7.575 -3.955 105 1HB GLU 16 1HB GLU 16 0.747 9.892 -2.197 106 2HB GLU 16 2HB GLU 16 0.959 8.190 -1.819 107 1HG GLU 16 1HG GLU 16 2.538 7.947 -3.594 108 2HG GLU 16 2HG GLU 16 2.259 9.592 -4.140 109 H LEU 17 H LEU 17 -1.631 6.595 -2.814 110 HA LEU 17 HA LEU 17 -3.952 8.093 -1.995 111 1HB LEU 17 1HB LEU 17 -4.625 5.732 -1.147 112 2HB LEU 17 2HB LEU 17 -4.584 6.072 -2.856 113 HG LEU 17 HG LEU 17 -2.236 5.062 -2.816 114 1HD1 LEU 17 1HD1 LEU 17 -1.880 3.394 -1.039 115 2HD1 LEU 17 2HD1 LEU 17 -3.260 4.079 -0.176 116 3HD1 LEU 17 3HD1 LEU 17 -1.838 5.059 -0.482 117 1HD2 LEU 17 1HD2 LEU 17 -3.066 2.975 -3.346 118 2HD2 LEU 17 2HD2 LEU 17 -4.449 4.030 -3.625 119 3HD2 LEU 17 3HD2 LEU 17 -4.354 3.071 -2.148 120 H SER 18 H SER 18 -4.406 6.116 0.362 121 HA SER 18 HA SER 18 -2.443 6.974 2.312 122 1HB SER 18 1HB SER 18 -5.293 7.940 2.260 123 2HB SER 18 2HB SER 18 -4.449 7.729 3.795 124 HG SER 18 HG SER 18 -4.345 9.820 2.296 125 H PHE 19 H PHE 19 -2.692 5.766 4.355 126 HA PHE 19 HA PHE 19 -4.665 3.667 4.509 127 1HB PHE 19 1HB PHE 19 -2.033 3.220 3.328 128 2HB PHE 19 2HB PHE 19 -2.365 2.127 4.656 129 HD1 PHE 19 HD1 PHE 19 -4.720 0.956 4.517 130 HD2 PHE 19 HD2 PHE 19 -2.623 2.641 1.224 131 HE1 PHE 19 HE1 PHE 19 -5.968 -0.504 2.980 132 HE2 PHE 19 HE2 PHE 19 -3.868 1.195 -0.322 133 HZ PHE 19 HZ PHE 19 -5.547 -0.381 0.557 134 H ARG 20 H ARG 20 -4.505 2.392 6.448 135 HA ARG 20 HA ARG 20 -2.868 3.651 8.551 136 1HB ARG 20 1HB ARG 20 -5.314 4.265 8.620 137 2HB ARG 20 2HB ARG 20 -5.665 2.570 8.925 138 1HG ARG 20 1HG ARG 20 -4.320 2.681 10.981 139 2HG ARG 20 2HG ARG 20 -4.033 4.393 10.679 140 1HD ARG 20 1HD ARG 20 -6.175 3.217 12.077 141 2HD ARG 20 2HD ARG 20 -5.939 4.915 11.693 142 HE ARG 20 HE ARG 20 -7.382 4.677 9.843 143 1HH1 ARG 20 1HH1 ARG 20 -7.106 1.735 11.712 144 2HH1 ARG 20 2HH1 ARG 20 -8.540 1.033 11.046 145 1HH2 ARG 20 1HH2 ARG 20 -9.278 3.748 8.977 146 2HH2 ARG 20 2HH2 ARG 20 -9.770 2.170 9.496 147 H LYS 21 H LYS 21 -2.341 2.289 10.372 148 HA LYS 21 HA LYS 21 -1.357 -0.235 9.712 149 1HB LYS 21 1HB LYS 21 -1.006 -0.554 12.114 150 2HB LYS 21 2HB LYS 21 -0.499 1.042 11.584 151 1HG LYS 21 1HG LYS 21 -2.661 1.942 12.422 152 2HG LYS 21 2HG LYS 21 -3.009 0.344 13.085 153 1HD LYS 21 1HD LYS 21 -1.770 0.769 14.884 154 2HD LYS 21 2HD LYS 21 -0.376 1.166 13.878 155 1HE LYS 21 1HE LYS 21 -2.616 3.064 14.572 156 2HE LYS 21 2HE LYS 21 -1.044 3.016 15.371 157 1HZ LYS 21 1HZ LYS 21 -1.427 4.693 13.482 158 2HZ LYS 21 2HZ LYS 21 -1.219 3.369 12.450 159 3HZ LYS 21 3HZ LYS 21 0.023 3.821 13.504 160 H GLY 22 H GLY 22 -2.140 -2.228 9.705 161 1HA GLY 22 1HA GLY 22 -3.516 -3.999 10.429 162 2HA GLY 22 2HA GLY 22 -4.665 -2.825 11.048 163 H GLN 23 H GLN 23 -4.278 -1.436 8.243 164 HA GLN 23 HA GLN 23 -6.579 -2.723 7.118 165 1HB GLN 23 1HB GLN 23 -5.300 -0.189 6.852 166 2HB GLN 23 2HB GLN 23 -5.477 -0.894 5.253 167 1HG GLN 23 1HG GLN 23 -7.901 -1.267 6.709 168 2HG GLN 23 2HG GLN 23 -7.415 0.426 6.803 169 1HE2 GLN 23 1HE2 GLN 23 -7.459 1.683 4.991 170 2HE2 GLN 23 2HE2 GLN 23 -8.129 1.161 3.486 171 H ILE 24 H ILE 24 -6.778 -3.394 4.850 172 HA ILE 24 HA ILE 24 -4.323 -4.746 3.960 173 HB ILE 24 HB ILE 24 -7.191 -5.420 3.301 174 1HG1 ILE 24 1HG1 ILE 24 -5.780 -7.450 4.759 175 2HG1 ILE 24 2HG1 ILE 24 -5.655 -5.926 5.632 176 1HG2 ILE 24 1HG2 ILE 24 -5.660 -6.076 1.520 177 2HG2 ILE 24 2HG2 ILE 24 -6.274 -7.491 2.374 178 3HG2 ILE 24 3HG2 ILE 24 -4.640 -6.911 2.693 179 1HD1 ILE 24 1HD1 ILE 24 -7.674 -7.634 5.942 180 2HD1 ILE 24 2HD1 ILE 24 -8.332 -6.651 4.634 181 3HD1 ILE 24 3HD1 ILE 24 -7.845 -5.891 6.149 182 H LEU 25 H LEU 25 -3.298 -3.639 2.461 183 HA LEU 25 HA LEU 25 -4.760 -2.086 0.461 184 1HB LEU 25 1HB LEU 25 -2.241 -1.534 -0.159 185 2HB LEU 25 2HB LEU 25 -3.063 -0.733 1.152 186 HG LEU 25 HG LEU 25 -1.487 -3.176 1.764 187 1HD1 LEU 25 1HD1 LEU 25 0.554 -2.157 1.679 188 2HD1 LEU 25 2HD1 LEU 25 -0.122 -0.536 1.845 189 3HD1 LEU 25 3HD1 LEU 25 -0.220 -1.378 0.299 190 1HD2 LEU 25 1HD2 LEU 25 -1.906 -0.604 3.283 191 2HD2 LEU 25 2HD2 LEU 25 -1.221 -2.110 3.894 192 3HD2 LEU 25 3HD2 LEU 25 -2.925 -2.033 3.451 193 H LYS 26 H LYS 26 -4.769 -2.582 -1.719 194 HA LYS 26 HA LYS 26 -3.690 -5.189 -2.457 195 1HB LYS 26 1HB LYS 26 -6.103 -4.006 -2.974 196 2HB LYS 26 2HB LYS 26 -5.233 -3.690 -4.467 197 1HG LYS 26 1HG LYS 26 -5.361 -6.439 -3.286 198 2HG LYS 26 2HG LYS 26 -6.644 -5.810 -4.322 199 1HD LYS 26 1HD LYS 26 -3.914 -5.460 -5.359 200 2HD LYS 26 2HD LYS 26 -4.457 -7.134 -5.225 201 1HE LYS 26 1HE LYS 26 -6.570 -6.364 -6.429 202 2HE LYS 26 2HE LYS 26 -5.680 -4.889 -6.806 203 1HZ LYS 26 1HZ LYS 26 -5.450 -6.392 -8.620 204 2HZ LYS 26 2HZ LYS 26 -4.972 -7.658 -7.606 205 3HZ LYS 26 3HZ LYS 26 -3.955 -6.325 -7.830 206 H ILE 27 H ILE 27 -1.853 -5.367 -3.559 207 HA ILE 27 HA ILE 27 -0.639 -3.023 -4.783 208 HB ILE 27 HB ILE 27 0.417 -5.845 -4.529 209 1HG1 ILE 27 1HG1 ILE 27 1.950 -4.507 -2.841 210 2HG1 ILE 27 2HG1 ILE 27 0.557 -3.432 -2.770 211 1HG2 ILE 27 1HG2 ILE 27 1.414 -3.473 -5.898 212 2HG2 ILE 27 2HG2 ILE 27 1.902 -5.160 -6.050 213 3HG2 ILE 27 3HG2 ILE 27 2.570 -4.163 -4.759 214 1HD1 ILE 27 1HD1 ILE 27 -0.246 -4.773 -1.207 215 2HD1 ILE 27 2HD1 ILE 27 0.974 -6.004 -1.535 216 3HD1 ILE 27 3HD1 ILE 27 -0.516 -5.967 -2.474 217 H LEU 28 H LEU 28 -0.509 -2.638 -6.911 218 HA LEU 28 HA LEU 28 -1.705 -4.618 -8.729 219 1HB LEU 28 1HB LEU 28 -1.227 -2.022 -9.927 220 2HB LEU 28 2HB LEU 28 -2.702 -2.960 -9.843 221 HG LEU 28 HG LEU 28 -1.716 -1.233 -7.579 222 1HD1 LEU 28 1HD1 LEU 28 -3.051 0.518 -8.317 223 2HD1 LEU 28 2HD1 LEU 28 -3.900 -0.487 -9.491 224 3HD1 LEU 28 3HD1 LEU 28 -2.221 -0.024 -9.774 225 1HD2 LEU 28 1HD2 LEU 28 -4.351 -1.392 -7.276 226 2HD2 LEU 28 2HD2 LEU 28 -3.250 -2.568 -6.575 227 3HD2 LEU 28 3HD2 LEU 28 -4.086 -2.931 -8.085 228 H ASN 29 H ASN 29 1.113 -2.599 -8.194 229 HA ASN 29 HA ASN 29 2.641 -4.287 -9.987 230 1HB ASN 29 1HB ASN 29 3.721 -2.274 -11.046 231 2HB ASN 29 2HB ASN 29 2.066 -2.610 -11.545 232 1HD2 ASN 29 1HD2 ASN 29 0.371 -1.388 -10.426 233 2HD2 ASN 29 2HD2 ASN 29 0.697 0.243 -9.970 234 H MET 30 H MET 30 2.573 -1.661 -7.743 235 HA MET 30 HA MET 30 3.816 -1.192 -5.902 236 1HB MET 30 1HB MET 30 4.229 -3.323 -5.176 237 2HB MET 30 2HB MET 30 4.984 -3.824 -6.669 238 1HG MET 30 1HG MET 30 6.652 -1.881 -5.437 239 2HG MET 30 2HG MET 30 6.177 -3.067 -4.234 240 1HE MET 30 1HE MET 30 6.798 -6.237 -6.554 241 2HE MET 30 2HE MET 30 5.583 -5.411 -5.579 242 3HE MET 30 3HE MET 30 7.021 -6.084 -4.811 243 H GLU 31 H GLU 31 4.361 -0.662 -8.897 244 HA GLU 31 HA GLU 31 5.477 0.916 -9.977 245 1HB GLU 31 1HB GLU 31 5.768 1.961 -7.669 246 2HB GLU 31 2HB GLU 31 7.368 1.235 -7.649 247 1HG GLU 31 1HG GLU 31 8.177 2.651 -9.269 248 2HG GLU 31 2HG GLU 31 6.592 2.896 -9.997 249 H ASP 32 H ASP 32 8.468 0.980 -9.094 250 HA ASP 32 HA ASP 32 9.324 -1.137 -10.857 251 1HB ASP 32 1HB ASP 32 10.483 1.596 -10.434 252 2HB ASP 32 2HB ASP 32 11.512 0.285 -11.004 253 H ASP 33 H ASP 33 8.867 -1.195 -7.852 254 HA ASP 33 HA ASP 33 9.709 -2.515 -6.244 255 1HB ASP 33 1HB ASP 33 10.576 -3.873 -8.231 256 2HB ASP 33 2HB ASP 33 12.134 -3.104 -7.938 257 H SER 34 H SER 34 9.973 -0.255 -5.392 258 HA SER 34 HA SER 34 12.667 0.100 -4.406 259 1HB SER 34 1HB SER 34 11.666 1.695 -6.621 260 2HB SER 34 2HB SER 34 12.123 2.705 -5.257 261 HG SER 34 HG SER 34 14.051 2.442 -6.056 262 H ASN 35 H ASN 35 11.871 3.003 -3.856 263 HA ASN 35 HA ASN 35 10.904 2.387 -1.239 264 1HB ASN 35 1HB ASN 35 11.346 5.144 -2.362 265 2HB ASN 35 2HB ASN 35 11.289 4.671 -0.667 266 1HD2 ASN 35 1HD2 ASN 35 13.195 4.578 0.250 267 2HD2 ASN 35 2HD2 ASN 35 14.683 4.154 -0.517 268 H TRP 36 H TRP 36 9.332 3.661 -4.108 269 HA TRP 36 HA TRP 36 6.933 4.047 -2.450 270 1HB TRP 36 1HB TRP 36 7.649 5.215 -5.152 271 2HB TRP 36 2HB TRP 36 6.073 5.391 -4.389 272 HD1 TRP 36 HD1 TRP 36 9.406 7.003 -4.553 273 HE1 TRP 36 HE1 TRP 36 9.589 8.875 -2.797 274 HE3 TRP 36 HE3 TRP 36 5.242 5.930 -1.780 275 HZ2 TRP 36 HZ2 TRP 36 8.159 9.779 -0.537 276 HZ3 TRP 36 HZ3 TRP 36 4.724 7.347 0.163 277 HH2 TRP 36 HH2 TRP 36 6.153 9.231 0.770 278 H TYR 37 H TYR 37 5.189 2.702 -2.837 279 HA TYR 37 HA TYR 37 5.368 0.882 -5.156 280 1HB TYR 37 1HB TYR 37 4.301 0.432 -2.368 281 2HB TYR 37 2HB TYR 37 3.909 -0.639 -3.702 282 HD1 TYR 37 HD1 TYR 37 4.928 -2.181 -1.802 283 HD2 TYR 37 HD2 TYR 37 7.201 0.485 -4.212 284 HE1 TYR 37 HE1 TYR 37 6.954 -3.493 -1.336 285 HE2 TYR 37 HE2 TYR 37 9.228 -0.824 -3.754 286 HH TYR 37 HH TYR 37 9.120 -3.897 -2.157 287 H ARG 38 H ARG 38 3.258 0.170 -6.045 288 HA ARG 38 HA ARG 38 1.259 2.285 -5.773 289 1HB ARG 38 1HB ARG 38 2.489 1.820 -8.022 290 2HB ARG 38 2HB ARG 38 1.422 0.428 -8.137 291 1HG ARG 38 1HG ARG 38 -0.011 1.789 -9.150 292 2HG ARG 38 2HG ARG 38 -0.305 2.490 -7.557 293 1HD ARG 38 1HD ARG 38 0.515 4.423 -8.258 294 2HD ARG 38 2HD ARG 38 2.060 3.647 -8.590 295 HE ARG 38 HE ARG 38 1.067 3.092 -10.825 296 1HH1 ARG 38 1HH1 ARG 38 0.037 5.888 -9.000 297 2HH1 ARG 38 2HH1 ARG 38 -0.434 6.781 -10.404 298 1HH2 ARG 38 1HH2 ARG 38 0.454 4.274 -12.669 299 2HH2 ARG 38 2HH2 ARG 38 -0.198 5.869 -12.484 300 H ALA 39 H ALA 39 -0.604 1.812 -4.852 301 HA ALA 39 HA ALA 39 -1.720 -0.870 -5.188 302 1HB ALA 39 1HB ALA 39 -1.925 -1.388 -2.957 303 2HB ALA 39 2HB ALA 39 -1.808 0.293 -2.444 304 3HB ALA 39 3HB ALA 39 -0.366 -0.569 -2.983 305 H GLU 40 H GLU 40 -3.946 -0.936 -3.984 306 HA GLU 40 HA GLU 40 -5.435 1.547 -4.562 307 1HB GLU 40 1HB GLU 40 -6.050 -1.310 -5.271 308 2HB GLU 40 2HB GLU 40 -7.345 -0.134 -5.089 309 1HG GLU 40 1HG GLU 40 -5.534 1.137 -6.740 310 2HG GLU 40 2HG GLU 40 -5.496 -0.536 -7.275 311 H LEU 41 H LEU 41 -7.237 1.982 -3.183 312 HA LEU 41 HA LEU 41 -7.839 0.093 -1.061 313 1HB LEU 41 1HB LEU 41 -7.279 1.429 0.729 314 2HB LEU 41 2HB LEU 41 -5.976 1.774 -0.385 315 HG LEU 41 HG LEU 41 -8.293 3.612 -0.508 316 1HD1 LEU 41 1HD1 LEU 41 -7.031 2.996 1.992 317 2HD1 LEU 41 2HD1 LEU 41 -8.334 4.133 1.643 318 3HD1 LEU 41 3HD1 LEU 41 -6.656 4.650 1.510 319 1HD2 LEU 41 1HD2 LEU 41 -5.307 4.018 -0.457 320 2HD2 LEU 41 2HD2 LEU 41 -6.521 5.252 -0.791 321 3HD2 LEU 41 3HD2 LEU 41 -6.305 3.904 -1.908 322 H ASP 42 H ASP 42 -9.932 0.023 -0.676 323 HA ASP 42 HA ASP 42 -12.157 0.348 -0.958 324 1HB ASP 42 1HB ASP 42 -11.179 2.517 0.438 325 2HB ASP 42 2HB ASP 42 -12.136 3.264 -0.838 326 H GLY 43 H GLY 43 -10.676 0.231 -3.389 327 1HA GLY 43 1HA GLY 43 -11.341 0.337 -5.615 328 2HA GLY 43 2HA GLY 43 -12.653 1.401 -5.145 329 H LYS 44 H LYS 44 -9.604 2.390 -3.996 330 HA LYS 44 HA LYS 44 -9.377 4.362 -6.184 331 1HB LYS 44 1HB LYS 44 -9.705 4.709 -3.373 332 2HB LYS 44 2HB LYS 44 -8.074 5.229 -3.778 333 1HG LYS 44 1HG LYS 44 -10.545 6.203 -5.193 334 2HG LYS 44 2HG LYS 44 -9.789 7.032 -3.830 335 1HD LYS 44 1HD LYS 44 -7.675 7.128 -5.156 336 2HD LYS 44 2HD LYS 44 -8.567 6.473 -6.531 337 1HE LYS 44 1HE LYS 44 -8.912 8.635 -7.040 338 2HE LYS 44 2HE LYS 44 -10.171 8.536 -5.809 339 1HZ LYS 44 1HZ LYS 44 -8.981 9.768 -4.364 340 2HZ LYS 44 2HZ LYS 44 -8.253 10.358 -5.772 341 3HZ LYS 44 3HZ LYS 44 -7.487 9.151 -4.867 342 H GLU 45 H GLU 45 -7.322 4.705 -7.047 343 HA GLU 45 HA GLU 45 -5.219 2.923 -6.024 344 1HB GLU 45 1HB GLU 45 -5.912 2.504 -8.373 345 2HB GLU 45 2HB GLU 45 -5.459 4.152 -8.783 346 1HG GLU 45 1HG GLU 45 -3.290 2.738 -7.502 347 2HG GLU 45 2HG GLU 45 -3.881 1.898 -8.932 348 H GLY 46 H GLY 46 -3.126 3.642 -5.812 349 1HA GLY 46 1HA GLY 46 -2.192 6.260 -6.215 350 2HA GLY 46 2HA GLY 46 -2.901 6.165 -4.610 351 H LEU 47 H LEU 47 -0.148 6.609 -5.447 352 HA LEU 47 HA LEU 47 1.480 4.355 -4.865 353 1HB LEU 47 1HB LEU 47 1.837 7.038 -5.652 354 2HB LEU 47 2HB LEU 47 2.727 6.835 -4.164 355 HG LEU 47 HG LEU 47 3.781 4.787 -5.278 356 1HD1 LEU 47 1HD1 LEU 47 2.639 4.344 -7.182 357 2HD1 LEU 47 2HD1 LEU 47 3.910 5.372 -7.839 358 3HD1 LEU 47 3HD1 LEU 47 2.306 6.039 -7.526 359 1HD2 LEU 47 1HD2 LEU 47 5.536 6.113 -6.162 360 2HD2 LEU 47 2HD2 LEU 47 4.855 7.010 -4.805 361 3HD2 LEU 47 3HD2 LEU 47 4.451 7.472 -6.458 362 H ILE 48 H ILE 48 2.665 3.905 -2.999 363 HA ILE 48 HA ILE 48 1.922 5.274 -0.513 364 HB ILE 48 HB ILE 48 0.722 3.629 0.337 365 1HG1 ILE 48 1HG1 ILE 48 2.900 2.710 1.174 366 2HG1 ILE 48 2HG1 ILE 48 1.600 1.536 1.030 367 1HG2 ILE 48 1HG2 ILE 48 -0.002 1.710 -0.925 368 2HG2 ILE 48 2HG2 ILE 48 1.302 1.958 -2.087 369 3HG2 ILE 48 3HG2 ILE 48 0.016 3.156 -1.935 370 1HD1 ILE 48 1HD1 ILE 48 2.620 0.394 -0.640 371 2HD1 ILE 48 2HD1 ILE 48 4.037 1.011 0.209 372 3HD1 ILE 48 3HD1 ILE 48 3.465 1.815 -1.252 373 HA PRO 49 HA PRO 49 6.218 4.931 0.181 374 1HB PRO 49 1HB PRO 49 6.455 5.271 2.882 375 2HB PRO 49 2HB PRO 49 5.971 6.587 1.806 376 1HG PRO 49 1HG PRO 49 4.279 4.835 3.538 377 2HG PRO 49 2HG PRO 49 4.134 6.572 3.220 378 1HD PRO 49 1HD PRO 49 2.596 4.642 2.001 379 2HD PRO 49 2HD PRO 49 2.930 6.236 1.299 380 H SER 50 H SER 50 7.323 3.122 -0.052 381 HA SER 50 HA SER 50 6.559 0.581 0.802 382 1HB SER 50 1HB SER 50 8.100 1.087 -1.095 383 2HB SER 50 2HB SER 50 9.373 1.380 0.088 384 HG SER 50 HG SER 50 8.164 -0.977 0.587 385 H ASN 51 H ASN 51 7.089 2.536 3.015 386 HA ASN 51 HA ASN 51 8.825 0.804 4.651 387 1HB ASN 51 1HB ASN 51 8.879 3.122 6.087 388 2HB ASN 51 2HB ASN 51 10.124 2.614 4.954 389 1HD2 ASN 51 1HD2 ASN 51 10.020 3.451 2.783 390 2HD2 ASN 51 2HD2 ASN 51 9.322 5.006 2.504 391 H TYR 52 H TYR 52 5.762 2.325 4.374 392 HA TYR 52 HA TYR 52 5.081 1.771 7.162 393 1HB TYR 52 1HB TYR 52 3.564 3.165 4.957 394 2HB TYR 52 2HB TYR 52 2.973 2.955 6.600 395 HD1 TYR 52 HD1 TYR 52 6.538 3.587 6.343 396 HD2 TYR 52 HD2 TYR 52 2.738 5.460 6.569 397 HE1 TYR 52 HE1 TYR 52 7.622 5.682 6.995 398 HE2 TYR 52 HE2 TYR 52 3.808 7.568 7.225 399 HH TYR 52 HH TYR 52 5.731 8.539 7.875 400 H ILE 53 H ILE 53 5.249 -0.166 4.577 401 HA ILE 53 HA ILE 53 2.847 -1.648 5.392 402 HB ILE 53 HB ILE 53 2.409 -2.328 3.110 403 1HG1 ILE 53 1HG1 ILE 53 3.950 -0.477 1.598 404 2HG1 ILE 53 2HG1 ILE 53 5.064 -1.346 2.649 405 1HG2 ILE 53 1HG2 ILE 53 1.120 -0.492 3.566 406 2HG2 ILE 53 2HG2 ILE 53 2.010 0.079 2.156 407 3HG2 ILE 53 3HG2 ILE 53 2.511 0.572 3.773 408 1HD1 ILE 53 1HD1 ILE 53 4.869 -3.230 1.473 409 2HD1 ILE 53 2HD1 ILE 53 4.187 -2.198 0.216 410 3HD1 ILE 53 3HD1 ILE 53 3.121 -3.068 1.319 411 H GLU 54 H GLU 54 2.920 -3.944 4.586 412 HA GLU 54 HA GLU 54 5.577 -5.080 4.260 413 1HB GLU 54 1HB GLU 54 4.482 -4.847 6.829 414 2HB GLU 54 2HB GLU 54 4.212 -6.523 6.376 415 1HG GLU 54 1HG GLU 54 6.290 -6.943 7.002 416 2HG GLU 54 2HG GLU 54 6.835 -6.002 5.615 417 H MET 55 H MET 55 5.515 -6.818 2.994 418 HA MET 55 HA MET 55 3.341 -7.590 1.534 419 1HB MET 55 1HB MET 55 5.985 -8.748 2.107 420 2HB MET 55 2HB MET 55 4.785 -9.901 1.538 421 1HG MET 55 1HG MET 55 4.613 -8.923 -0.520 422 2HG MET 55 2HG MET 55 5.110 -7.338 0.069 423 1HE MET 55 1HE MET 55 7.938 -10.859 -0.852 424 2HE MET 55 2HE MET 55 6.232 -10.808 -1.297 425 3HE MET 55 3HE MET 55 6.698 -10.931 0.400 426 H LYS 56 H LYS 56 1.570 -8.753 1.842 427 HA LYS 56 HA LYS 56 1.435 -10.478 4.219 428 1HB LYS 56 1HB LYS 56 0.072 -8.475 4.492 429 2HB LYS 56 2HB LYS 56 -0.762 -8.809 2.984 430 1HG LYS 56 1HG LYS 56 -2.092 -9.403 4.953 431 2HG LYS 56 2HG LYS 56 -1.755 -10.798 3.928 432 1HD LYS 56 1HD LYS 56 -0.330 -11.747 5.459 433 2HD LYS 56 2HD LYS 56 0.101 -10.195 6.180 434 1HE LYS 56 1HE LYS 56 -2.530 -11.638 6.498 435 2HE LYS 56 2HE LYS 56 -1.254 -11.530 7.709 436 1HZ LYS 56 1HZ LYS 56 -2.612 -9.843 8.374 437 2HZ LYS 56 2HZ LYS 56 -3.143 -9.479 6.811 438 3HZ LYS 56 3HZ LYS 56 -1.610 -8.980 7.319 439 H ASN 57 H ASN 57 -1.235 -10.327 2.008 440 HA ASN 57 HA ASN 57 -2.068 -11.765 0.446 441 1HB ASN 57 1HB ASN 57 0.567 -13.246 0.549 442 2HB ASN 57 2HB ASN 57 -0.679 -13.391 -0.679 443 1HD2 ASN 57 1HD2 ASN 57 -0.560 -12.155 -2.413 444 2HD2 ASN 57 2HD2 ASN 57 0.537 -10.837 -2.621 445 H HIS 58 H HIS 58 -0.058 -13.506 2.850 446 HA HIS 58 HA HIS 58 -2.077 -14.687 4.247 447 1HB HIS 58 1HB HIS 58 -2.319 -15.791 1.823 448 2HB HIS 58 2HB HIS 58 -1.067 -16.850 2.460 449 HD1 HIS 58 HD1 HIS 58 -3.873 -15.468 4.555 450 HD2 HIS 58 HD2 HIS 58 -2.685 -19.059 2.835 451 HE1 HIS 58 HE1 HIS 58 -5.407 -17.212 5.516 452 HE2 HIS 58 HE2 HIS 58 -4.617 -19.389 4.522 453 H ASP 59 H ASP 59 1.128 -14.314 3.357 454 HA ASP 59 HA ASP 59 3.097 -14.737 4.365 455 1HB ASP 59 1HB ASP 59 1.617 -14.081 6.385 456 2HB ASP 59 2HB ASP 59 1.630 -15.801 6.762 Start of MODEL 8 1 1H MET 1 1H MET 1 1.904 -10.198 -4.254 2 2H MET 1 2H MET 1 1.089 -10.295 -2.751 3 3H MET 1 3H MET 1 2.067 -8.934 -3.108 4 HA MET 1 HA MET 1 0.611 -8.132 -4.651 5 1HB MET 1 1HB MET 1 0.167 -10.240 -5.815 6 2HB MET 1 2HB MET 1 -0.721 -10.846 -4.426 7 1HG MET 1 1HG MET 1 -2.458 -10.259 -5.738 8 2HG MET 1 2HG MET 1 -2.220 -8.720 -4.919 9 1HE MET 1 1HE MET 1 -3.618 -7.529 -7.583 10 2HE MET 1 2HE MET 1 -3.836 -9.250 -7.266 11 3HE MET 1 3HE MET 1 -3.259 -8.710 -8.843 12 H GLU 2 H GLU 2 0.195 -9.458 -1.599 13 HA GLU 2 HA GLU 2 -1.968 -7.524 -1.095 14 1HB GLU 2 1HB GLU 2 -1.572 -10.278 -0.054 15 2HB GLU 2 2HB GLU 2 -2.238 -9.085 1.045 16 1HG GLU 2 1HG GLU 2 -4.163 -8.825 -0.200 17 2HG GLU 2 2HG GLU 2 -3.420 -9.453 -1.669 18 H ALA 3 H ALA 3 -1.747 -6.245 0.840 19 HA ALA 3 HA ALA 3 0.630 -6.675 2.453 20 1HB ALA 3 1HB ALA 3 1.825 -4.891 1.803 21 2HB ALA 3 2HB ALA 3 0.397 -3.872 1.621 22 3HB ALA 3 3HB ALA 3 0.859 -4.982 0.331 23 H ILE 4 H ILE 4 0.756 -5.029 4.220 24 HA ILE 4 HA ILE 4 -1.867 -4.010 5.040 25 HB ILE 4 HB ILE 4 -1.486 -4.858 7.354 26 1HG1 ILE 4 1HG1 ILE 4 0.061 -7.035 7.229 27 2HG1 ILE 4 2HG1 ILE 4 0.883 -6.073 6.005 28 1HG2 ILE 4 1HG2 ILE 4 -2.649 -6.770 6.943 29 2HG2 ILE 4 2HG2 ILE 4 -1.582 -7.274 5.634 30 3HG2 ILE 4 3HG2 ILE 4 -2.785 -6.014 5.356 31 1HD1 ILE 4 1HD1 ILE 4 1.494 -4.437 7.546 32 2HD1 ILE 4 2HD1 ILE 4 1.731 -5.953 8.406 33 3HD1 ILE 4 3HD1 ILE 4 0.302 -4.971 8.728 34 H ALA 5 H ALA 5 -1.837 -2.195 6.267 35 HA ALA 5 HA ALA 5 0.537 -0.622 6.270 36 1HB ALA 5 1HB ALA 5 -2.274 -0.270 7.147 37 2HB ALA 5 2HB ALA 5 -1.321 0.666 6.004 38 3HB ALA 5 3HB ALA 5 -1.054 0.860 7.735 39 H LYS 6 H LYS 6 2.057 -0.467 7.729 40 HA LYS 6 HA LYS 6 1.726 -1.780 10.334 41 1HB LYS 6 1HB LYS 6 3.933 -1.373 8.586 42 2HB LYS 6 2HB LYS 6 4.273 -0.478 10.060 43 1HG LYS 6 1HG LYS 6 3.415 -3.352 10.092 44 2HG LYS 6 2HG LYS 6 5.103 -2.862 9.949 45 1HD LYS 6 1HD LYS 6 4.555 -1.415 12.052 46 2HD LYS 6 2HD LYS 6 3.224 -2.556 12.246 47 1HE LYS 6 1HE LYS 6 4.612 -4.319 12.681 48 2HE LYS 6 2HE LYS 6 5.939 -3.651 11.730 49 1HZ LYS 6 1HZ LYS 6 5.753 -1.855 13.698 50 2HZ LYS 6 2HZ LYS 6 6.782 -3.197 13.742 51 3HZ LYS 6 3HZ LYS 6 5.284 -3.257 14.524 52 H HIS 7 H HIS 7 1.520 1.269 8.910 53 HA HIS 7 HA HIS 7 0.954 2.512 11.461 54 1HB HIS 7 1HB HIS 7 3.028 3.763 9.653 55 2HB HIS 7 2HB HIS 7 2.502 4.340 11.231 56 HD1 HIS 7 HD1 HIS 7 2.984 2.342 13.199 57 HD2 HIS 7 HD2 HIS 7 5.386 2.487 9.808 58 HE1 HIS 7 HE1 HIS 7 5.093 1.113 13.813 59 HE2 HIS 7 HE2 HIS 7 6.523 1.195 11.740 60 H ASP 8 H ASP 8 0.479 4.911 11.024 61 HA ASP 8 HA ASP 8 -1.613 4.932 9.031 62 1HB ASP 8 1HB ASP 8 -2.150 7.181 10.009 63 2HB ASP 8 2HB ASP 8 -2.128 5.886 11.200 64 H PHE 9 H PHE 9 -0.390 4.880 7.050 65 HA PHE 9 HA PHE 9 1.573 6.955 6.660 66 1HB PHE 9 1HB PHE 9 2.206 5.229 5.307 67 2HB PHE 9 2HB PHE 9 0.551 4.700 5.042 68 HD1 PHE 9 HD1 PHE 9 2.438 7.855 4.336 69 HD2 PHE 9 HD2 PHE 9 -0.037 4.740 2.843 70 HE1 PHE 9 HE1 PHE 9 2.462 8.896 2.108 71 HE2 PHE 9 HE2 PHE 9 -0.003 5.776 0.622 72 HZ PHE 9 HZ PHE 9 1.252 7.842 0.253 73 H SER 10 H SER 10 1.237 8.866 5.921 74 HA SER 10 HA SER 10 -1.219 9.486 4.417 75 1HB SER 10 1HB SER 10 -0.904 10.528 6.797 76 2HB SER 10 2HB SER 10 0.348 11.508 6.033 77 HG SER 10 HG SER 10 -1.393 12.042 4.461 78 H ALA 11 H ALA 11 -0.960 10.202 2.493 79 HA ALA 11 HA ALA 11 1.345 9.910 1.043 80 1HB ALA 11 1HB ALA 11 0.238 11.145 -0.697 81 2HB ALA 11 2HB ALA 11 -0.944 11.754 0.461 82 3HB ALA 11 3HB ALA 11 -0.873 10.034 0.094 83 H THR 12 H THR 12 3.010 11.039 0.488 84 HA THR 12 HA THR 12 3.253 13.747 1.568 85 HB THR 12 HB THR 12 5.191 11.464 1.303 86 HG1 THR 12 HG1 THR 12 5.024 11.739 3.357 87 1HG2 THR 12 1HG2 THR 12 6.903 13.469 1.947 88 2HG2 THR 12 2HG2 THR 12 5.939 14.248 0.696 89 3HG2 THR 12 3HG2 THR 12 6.771 12.733 0.350 90 H ALA 13 H ALA 13 2.371 12.319 -1.081 91 HA ALA 13 HA ALA 13 3.071 14.591 -2.729 92 1HB ALA 13 1HB ALA 13 4.775 13.453 -3.676 93 2HB ALA 13 2HB ALA 13 3.487 12.603 -4.529 94 3HB ALA 13 3HB ALA 13 4.198 11.898 -3.077 95 H ASP 14 H ASP 14 1.833 14.561 -4.716 96 HA ASP 14 HA ASP 14 -0.878 14.127 -4.187 97 1HB ASP 14 1HB ASP 14 -1.172 14.692 -6.656 98 2HB ASP 14 2HB ASP 14 -0.377 15.889 -5.640 99 H ASP 15 H ASP 15 1.412 12.126 -5.858 100 HA ASP 15 HA ASP 15 -0.674 10.477 -6.990 101 1HB ASP 15 1HB ASP 15 2.213 10.835 -7.378 102 2HB ASP 15 2HB ASP 15 1.619 9.193 -7.615 103 H GLU 16 H GLU 16 0.048 10.552 -4.015 104 HA GLU 16 HA GLU 16 0.291 7.634 -3.541 105 1HB GLU 16 1HB GLU 16 1.451 9.998 -2.126 106 2HB GLU 16 2HB GLU 16 0.995 8.590 -1.182 107 1HG GLU 16 1HG GLU 16 2.829 7.511 -1.778 108 2HG GLU 16 2HG GLU 16 2.485 7.788 -3.474 109 H LEU 17 H LEU 17 -1.379 6.709 -2.403 110 HA LEU 17 HA LEU 17 -3.643 8.311 -1.624 111 1HB LEU 17 1HB LEU 17 -3.573 5.933 -2.621 112 2HB LEU 17 2HB LEU 17 -3.265 5.407 -0.980 113 HG LEU 17 HG LEU 17 -5.498 7.084 -0.782 114 1HD1 LEU 17 1HD1 LEU 17 -7.089 6.215 -2.353 115 2HD1 LEU 17 2HD1 LEU 17 -5.863 5.178 -3.083 116 3HD1 LEU 17 3HD1 LEU 17 -5.739 6.933 -3.232 117 1HD2 LEU 17 1HD2 LEU 17 -5.978 4.185 -1.008 118 2HD2 LEU 17 2HD2 LEU 17 -6.395 5.313 0.282 119 3HD2 LEU 17 3HD2 LEU 17 -4.754 4.678 0.161 120 H SER 18 H SER 18 -4.155 6.300 0.700 121 HA SER 18 HA SER 18 -2.241 6.974 2.723 122 1HB SER 18 1HB SER 18 -4.280 7.892 4.122 123 2HB SER 18 2HB SER 18 -3.341 8.973 3.091 124 HG SER 18 HG SER 18 -4.986 9.147 1.749 125 H PHE 19 H PHE 19 -2.717 5.781 4.703 126 HA PHE 19 HA PHE 19 -4.997 4.070 4.866 127 1HB PHE 19 1HB PHE 19 -3.757 1.917 4.726 128 2HB PHE 19 2HB PHE 19 -3.878 2.776 3.194 129 HD1 PHE 19 HD1 PHE 19 -1.523 2.775 6.120 130 HD2 PHE 19 HD2 PHE 19 -2.038 2.649 1.904 131 HE1 PHE 19 HE1 PHE 19 0.915 2.628 5.828 132 HE2 PHE 19 HE2 PHE 19 0.382 2.487 1.626 133 HZ PHE 19 HZ PHE 19 1.866 2.480 3.569 134 H ARG 20 H ARG 20 -4.776 2.451 6.718 135 HA ARG 20 HA ARG 20 -2.955 3.508 8.776 136 1HB ARG 20 1HB ARG 20 -4.732 3.373 10.432 137 2HB ARG 20 2HB ARG 20 -5.201 4.438 9.113 138 1HG ARG 20 1HG ARG 20 -6.618 2.736 8.181 139 2HG ARG 20 2HG ARG 20 -6.064 1.567 9.383 140 1HD ARG 20 1HD ARG 20 -7.019 2.909 11.163 141 2HD ARG 20 2HD ARG 20 -7.518 4.133 10.000 142 HE ARG 20 HE ARG 20 -8.643 1.416 10.198 143 1HH1 ARG 20 1HH1 ARG 20 -8.910 4.753 9.164 144 2HH1 ARG 20 2HH1 ARG 20 -10.573 4.602 8.711 145 1HH2 ARG 20 1HH2 ARG 20 -10.841 1.244 9.605 146 2HH2 ARG 20 2HH2 ARG 20 -11.664 2.628 8.968 147 H LYS 21 H LYS 21 -2.574 2.114 10.565 148 HA LYS 21 HA LYS 21 -1.722 -0.419 9.869 149 1HB LYS 21 1HB LYS 21 -0.956 0.899 11.831 150 2HB LYS 21 2HB LYS 21 -2.442 0.455 12.658 151 1HG LYS 21 1HG LYS 21 -0.888 -1.794 11.564 152 2HG LYS 21 2HG LYS 21 -0.121 -0.899 12.878 153 1HD LYS 21 1HD LYS 21 -2.885 -1.355 13.494 154 2HD LYS 21 2HD LYS 21 -2.114 -2.881 13.063 155 1HE LYS 21 1HE LYS 21 -1.087 -2.967 15.033 156 2HE LYS 21 2HE LYS 21 -0.377 -1.374 14.774 157 1HZ LYS 21 1HZ LYS 21 -2.763 -2.120 16.276 158 2HZ LYS 21 2HZ LYS 21 -2.829 -0.658 15.428 159 3HZ LYS 21 3HZ LYS 21 -1.622 -0.909 16.585 160 H GLY 22 H GLY 22 -2.538 -2.397 9.794 161 1HA GLY 22 1HA GLY 22 -3.945 -4.158 10.468 162 2HA GLY 22 2HA GLY 22 -5.085 -2.983 11.092 163 H GLN 23 H GLN 23 -4.759 -1.559 8.306 164 HA GLN 23 HA GLN 23 -7.069 -2.835 7.198 165 1HB GLN 23 1HB GLN 23 -6.032 -0.298 7.072 166 2HB GLN 23 2HB GLN 23 -5.712 -0.918 5.459 167 1HG GLN 23 1HG GLN 23 -7.840 0.253 5.561 168 2HG GLN 23 2HG GLN 23 -8.069 -1.453 5.182 169 1HE2 GLN 23 1HE2 GLN 23 -9.961 -1.999 6.035 170 2HE2 GLN 23 2HE2 GLN 23 -10.459 -1.696 7.662 171 H ILE 24 H ILE 24 -7.318 -3.465 4.886 172 HA ILE 24 HA ILE 24 -4.940 -4.953 4.013 173 HB ILE 24 HB ILE 24 -7.717 -5.452 3.006 174 1HG1 ILE 24 1HG1 ILE 24 -7.968 -5.623 5.379 175 2HG1 ILE 24 2HG1 ILE 24 -7.828 -7.265 4.760 176 1HG2 ILE 24 1HG2 ILE 24 -6.628 -6.941 1.769 177 2HG2 ILE 24 2HG2 ILE 24 -6.231 -7.812 3.250 178 3HG2 ILE 24 3HG2 ILE 24 -5.116 -6.606 2.609 179 1HD1 ILE 24 1HD1 ILE 24 -5.260 -6.811 5.318 180 2HD1 ILE 24 2HD1 ILE 24 -6.401 -7.444 6.502 181 3HD1 ILE 24 3HD1 ILE 24 -5.999 -5.728 6.497 182 H LEU 25 H LEU 25 -3.817 -3.937 2.508 183 HA LEU 25 HA LEU 25 -5.197 -2.409 0.412 184 1HB LEU 25 1HB LEU 25 -2.349 -2.464 1.365 185 2HB LEU 25 2HB LEU 25 -2.840 -1.627 -0.095 186 HG LEU 25 HG LEU 25 -4.460 -0.898 2.222 187 1HD1 LEU 25 1HD1 LEU 25 -2.451 0.608 2.978 188 2HD1 LEU 25 2HD1 LEU 25 -1.495 -0.734 2.361 189 3HD1 LEU 25 3HD1 LEU 25 -2.676 -1.004 3.643 190 1HD2 LEU 25 1HD2 LEU 25 -2.758 0.894 0.522 191 2HD2 LEU 25 2HD2 LEU 25 -4.293 1.246 1.313 192 3HD2 LEU 25 3HD2 LEU 25 -4.249 0.190 -0.098 193 H LYS 26 H LYS 26 -5.221 -3.074 -1.688 194 HA LYS 26 HA LYS 26 -3.796 -5.541 -2.377 195 1HB LYS 26 1HB LYS 26 -6.125 -4.094 -3.611 196 2HB LYS 26 2HB LYS 26 -5.232 -5.307 -4.519 197 1HG LYS 26 1HG LYS 26 -5.876 -6.349 -1.938 198 2HG LYS 26 2HG LYS 26 -7.333 -5.702 -2.697 199 1HD LYS 26 1HD LYS 26 -7.317 -7.251 -4.363 200 2HD LYS 26 2HD LYS 26 -5.555 -7.353 -4.401 201 1HE LYS 26 1HE LYS 26 -5.631 -8.614 -2.271 202 2HE LYS 26 2HE LYS 26 -7.392 -8.574 -2.344 203 1HZ LYS 26 1HZ LYS 26 -7.443 -10.198 -3.857 204 2HZ LYS 26 2HZ LYS 26 -5.861 -10.537 -3.365 205 3HZ LYS 26 3HZ LYS 26 -6.134 -9.586 -4.737 206 H ILE 27 H ILE 27 -1.988 -5.498 -3.514 207 HA ILE 27 HA ILE 27 -1.134 -3.009 -4.759 208 HB ILE 27 HB ILE 27 0.395 -5.600 -4.712 209 1HG1 ILE 27 1HG1 ILE 27 0.818 -3.399 -2.721 210 2HG1 ILE 27 2HG1 ILE 27 -0.393 -4.638 -2.418 211 1HG2 ILE 27 1HG2 ILE 27 1.134 -3.812 -6.269 212 2HG2 ILE 27 2HG2 ILE 27 2.332 -4.205 -5.033 213 3HG2 ILE 27 3HG2 ILE 27 1.351 -2.747 -4.881 214 1HD1 ILE 27 1HD1 ILE 27 2.340 -5.515 -3.161 215 2HD1 ILE 27 2HD1 ILE 27 1.158 -6.267 -2.091 216 3HD1 ILE 27 3HD1 ILE 27 2.076 -4.866 -1.544 217 H LEU 28 H LEU 28 -0.711 -2.722 -6.881 218 HA LEU 28 HA LEU 28 -1.650 -4.786 -8.786 219 1HB LEU 28 1HB LEU 28 -1.753 -1.791 -9.100 220 2HB LEU 28 2HB LEU 28 -2.294 -2.975 -10.273 221 HG LEU 28 HG LEU 28 -3.687 -3.563 -7.906 222 1HD1 LEU 28 1HD1 LEU 28 -4.146 -1.679 -6.824 223 2HD1 LEU 28 2HD1 LEU 28 -4.560 -0.844 -8.321 224 3HD1 LEU 28 3HD1 LEU 28 -2.883 -0.897 -7.775 225 1HD2 LEU 28 1HD2 LEU 28 -5.257 -3.797 -9.457 226 2HD2 LEU 28 2HD2 LEU 28 -4.192 -3.047 -10.643 227 3HD2 LEU 28 3HD2 LEU 28 -5.302 -2.055 -9.708 228 H ASN 29 H ASN 29 0.654 -2.232 -8.084 229 HA ASN 29 HA ASN 29 2.590 -3.466 -9.872 230 1HB ASN 29 1HB ASN 29 2.836 -1.791 -11.364 231 2HB ASN 29 2HB ASN 29 1.132 -1.577 -11.003 232 1HD2 ASN 29 1HD2 ASN 29 4.333 -0.492 -9.925 233 2HD2 ASN 29 2HD2 ASN 29 3.852 1.131 -9.593 234 H MET 30 H MET 30 4.546 -3.431 -8.895 235 HA MET 30 HA MET 30 5.249 -1.259 -7.079 236 1HB MET 30 1HB MET 30 5.999 -2.922 -5.358 237 2HB MET 30 2HB MET 30 4.255 -2.787 -5.537 238 1HG MET 30 1HG MET 30 4.217 -4.824 -6.855 239 2HG MET 30 2HG MET 30 5.974 -4.940 -6.750 240 1HE MET 30 1HE MET 30 6.971 -6.113 -3.619 241 2HE MET 30 2HE MET 30 7.177 -5.922 -5.361 242 3HE MET 30 3HE MET 30 6.414 -7.375 -4.718 243 H GLU 31 H GLU 31 6.207 -2.150 -9.721 244 HA GLU 31 HA GLU 31 8.931 -2.987 -8.988 245 1HB GLU 31 1HB GLU 31 7.114 -4.261 -10.547 246 2HB GLU 31 2HB GLU 31 8.114 -3.442 -11.730 247 1HG GLU 31 1HG GLU 31 10.107 -4.438 -10.631 248 2HG GLU 31 2HG GLU 31 9.018 -5.373 -9.610 249 H ASP 32 H ASP 32 7.722 -0.152 -9.438 250 HA ASP 32 HA ASP 32 9.546 0.408 -11.612 251 1HB ASP 32 1HB ASP 32 8.341 2.578 -12.009 252 2HB ASP 32 2HB ASP 32 7.413 1.114 -12.317 253 H ASP 33 H ASP 33 9.733 0.352 -8.542 254 HA ASP 33 HA ASP 33 12.086 2.055 -8.544 255 1HB ASP 33 1HB ASP 33 9.548 3.055 -7.680 256 2HB ASP 33 2HB ASP 33 10.601 2.909 -6.278 257 H SER 34 H SER 34 9.813 0.123 -6.647 258 HA SER 34 HA SER 34 10.315 -1.696 -5.265 259 1HB SER 34 1HB SER 34 12.955 -1.024 -5.943 260 2HB SER 34 2HB SER 34 12.881 -0.856 -4.189 261 HG SER 34 HG SER 34 11.912 -3.120 -5.581 262 H ASN 35 H ASN 35 11.663 1.525 -4.384 263 HA ASN 35 HA ASN 35 10.725 1.164 -1.706 264 1HB ASN 35 1HB ASN 35 12.479 3.013 -3.079 265 2HB ASN 35 2HB ASN 35 11.413 3.857 -1.960 266 1HD2 ASN 35 1HD2 ASN 35 14.216 2.059 -2.305 267 2HD2 ASN 35 2HD2 ASN 35 14.554 1.782 -0.633 268 H TRP 36 H TRP 36 8.960 1.904 -4.387 269 HA TRP 36 HA TRP 36 6.958 3.209 -2.721 270 1HB TRP 36 1HB TRP 36 7.987 4.279 -5.363 271 2HB TRP 36 2HB TRP 36 6.466 4.791 -4.642 272 HD1 TRP 36 HD1 TRP 36 10.097 5.609 -4.651 273 HE1 TRP 36 HE1 TRP 36 10.624 7.367 -2.845 274 HE3 TRP 36 HE3 TRP 36 5.694 5.464 -2.041 275 HZ2 TRP 36 HZ2 TRP 36 9.350 8.541 -0.624 276 HZ3 TRP 36 HZ3 TRP 36 5.438 6.937 -0.085 277 HH2 TRP 36 HH2 TRP 36 7.229 8.442 0.607 278 H TYR 37 H TYR 37 4.847 2.389 -3.245 279 HA TYR 37 HA TYR 37 4.666 1.103 -5.859 280 1HB TYR 37 1HB TYR 37 3.252 -0.740 -4.428 281 2HB TYR 37 2HB TYR 37 4.862 -0.950 -5.089 282 HD1 TYR 37 HD1 TYR 37 5.841 -2.408 -3.608 283 HD2 TYR 37 HD2 TYR 37 3.851 1.015 -2.125 284 HE1 TYR 37 HE1 TYR 37 6.648 -2.948 -1.353 285 HE2 TYR 37 HE2 TYR 37 4.640 0.509 0.148 286 HH TYR 37 HH TYR 37 6.693 -2.323 0.789 287 H ARG 38 H ARG 38 2.618 0.571 -6.603 288 HA ARG 38 HA ARG 38 0.567 2.489 -5.743 289 1HB ARG 38 1HB ARG 38 1.434 1.276 -8.262 290 2HB ARG 38 2HB ARG 38 -0.306 1.435 -8.079 291 1HG ARG 38 1HG ARG 38 -0.246 3.679 -8.261 292 2HG ARG 38 2HG ARG 38 1.263 3.816 -7.359 293 1HD ARG 38 1HD ARG 38 1.974 4.440 -9.447 294 2HD ARG 38 2HD ARG 38 2.277 2.707 -9.520 295 HE ARG 38 HE ARG 38 -0.217 2.901 -10.497 296 1HH1 ARG 38 1HH1 ARG 38 2.726 4.621 -11.241 297 2HH1 ARG 38 2HH1 ARG 38 2.293 4.892 -12.895 298 1HH2 ARG 38 1HH2 ARG 38 -0.790 3.271 -12.666 299 2HH2 ARG 38 2HH2 ARG 38 0.306 4.119 -13.705 300 H ALA 39 H ALA 39 -1.382 1.773 -4.914 301 HA ALA 39 HA ALA 39 -2.098 -1.019 -5.395 302 1HB ALA 39 1HB ALA 39 -2.710 -0.380 -2.657 303 2HB ALA 39 2HB ALA 39 -0.979 -0.249 -2.966 304 3HB ALA 39 3HB ALA 39 -1.830 -1.753 -3.323 305 H GLU 40 H GLU 40 -4.300 -1.547 -4.676 306 HA GLU 40 HA GLU 40 -6.079 0.757 -5.080 307 1HB GLU 40 1HB GLU 40 -6.054 -1.953 -6.132 308 2HB GLU 40 2HB GLU 40 -7.594 -1.562 -5.374 309 1HG GLU 40 1HG GLU 40 -8.103 0.053 -6.898 310 2HG GLU 40 2HG GLU 40 -6.414 0.422 -7.237 311 H LEU 41 H LEU 41 -7.570 1.265 -3.571 312 HA LEU 41 HA LEU 41 -8.267 -0.658 -1.495 313 1HB LEU 41 1HB LEU 41 -6.385 0.560 -0.529 314 2HB LEU 41 2HB LEU 41 -7.157 2.089 -0.899 315 HG LEU 41 HG LEU 41 -9.072 1.202 0.634 316 1HD1 LEU 41 1HD1 LEU 41 -6.890 -0.736 1.080 317 2HD1 LEU 41 2HD1 LEU 41 -8.635 -0.932 1.232 318 3HD1 LEU 41 3HD1 LEU 41 -7.721 -0.137 2.515 319 1HD2 LEU 41 1HD2 LEU 41 -8.232 2.970 1.710 320 2HD2 LEU 41 2HD2 LEU 41 -6.593 2.613 1.170 321 3HD2 LEU 41 3HD2 LEU 41 -7.235 1.825 2.610 322 H ASP 42 H ASP 42 -10.372 -0.567 -1.066 323 HA ASP 42 HA ASP 42 -12.565 -0.001 -1.314 324 1HB ASP 42 1HB ASP 42 -11.237 2.246 -0.171 325 2HB ASP 42 2HB ASP 42 -12.428 2.856 -1.316 326 H GLY 43 H GLY 43 -10.767 -0.153 -3.680 327 1HA GLY 43 1HA GLY 43 -11.288 -0.091 -5.949 328 2HA GLY 43 2HA GLY 43 -12.628 0.983 -5.586 329 H LYS 44 H LYS 44 -9.594 1.893 -4.246 330 HA LYS 44 HA LYS 44 -9.252 3.918 -6.367 331 1HB LYS 44 1HB LYS 44 -10.113 4.671 -4.088 332 2HB LYS 44 2HB LYS 44 -8.532 4.229 -3.458 333 1HG LYS 44 1HG LYS 44 -8.342 6.504 -3.848 334 2HG LYS 44 2HG LYS 44 -7.591 5.776 -5.271 335 1HD LYS 44 1HD LYS 44 -10.489 6.272 -5.478 336 2HD LYS 44 2HD LYS 44 -9.477 7.712 -5.367 337 1HE LYS 44 1HE LYS 44 -8.505 5.657 -7.231 338 2HE LYS 44 2HE LYS 44 -10.040 6.396 -7.679 339 1HZ LYS 44 1HZ LYS 44 -8.728 7.958 -8.579 340 2HZ LYS 44 2HZ LYS 44 -7.383 7.543 -7.640 341 3HZ LYS 44 3HZ LYS 44 -8.586 8.541 -6.996 342 H GLU 45 H GLU 45 -7.171 4.298 -7.103 343 HA GLU 45 HA GLU 45 -5.073 2.576 -5.971 344 1HB GLU 45 1HB GLU 45 -5.510 2.175 -8.376 345 2HB GLU 45 2HB GLU 45 -5.185 3.870 -8.707 346 1HG GLU 45 1HG GLU 45 -2.866 3.485 -7.779 347 2HG GLU 45 2HG GLU 45 -3.235 1.763 -7.808 348 H GLY 46 H GLY 46 -2.969 3.448 -5.761 349 1HA GLY 46 1HA GLY 46 -2.243 6.144 -5.943 350 2HA GLY 46 2HA GLY 46 -2.992 5.900 -4.373 351 H LEU 47 H LEU 47 -0.208 6.526 -5.188 352 HA LEU 47 HA LEU 47 1.445 4.285 -4.614 353 1HB LEU 47 1HB LEU 47 1.841 7.212 -4.857 354 2HB LEU 47 2HB LEU 47 3.080 6.273 -4.051 355 HG LEU 47 HG LEU 47 3.113 4.818 -6.152 356 1HD1 LEU 47 1HD1 LEU 47 2.209 5.629 -8.133 357 2HD1 LEU 47 2HD1 LEU 47 1.952 7.243 -7.475 358 3HD1 LEU 47 3HD1 LEU 47 0.922 5.905 -6.961 359 1HD2 LEU 47 1HD2 LEU 47 4.621 6.862 -5.352 360 2HD2 LEU 47 2HD2 LEU 47 3.994 7.560 -6.846 361 3HD2 LEU 47 3HD2 LEU 47 4.881 6.035 -6.887 362 H ILE 48 H ILE 48 2.704 3.926 -2.788 363 HA ILE 48 HA ILE 48 2.047 5.333 -0.315 364 HB ILE 48 HB ILE 48 1.651 3.296 0.961 365 1HG1 ILE 48 1HG1 ILE 48 1.176 1.593 -1.386 366 2HG1 ILE 48 2HG1 ILE 48 2.864 1.971 -1.077 367 1HG2 ILE 48 1HG2 ILE 48 -0.164 3.655 -1.420 368 2HG2 ILE 48 2HG2 ILE 48 -0.344 4.353 0.187 369 3HG2 ILE 48 3HG2 ILE 48 -0.551 2.623 -0.047 370 1HD1 ILE 48 1HD1 ILE 48 2.904 0.803 0.879 371 2HD1 ILE 48 2HD1 ILE 48 1.726 -0.140 -0.032 372 3HD1 ILE 48 3HD1 ILE 48 1.185 1.020 1.176 373 HA PRO 49 HA PRO 49 6.347 4.884 0.351 374 1HB PRO 49 1HB PRO 49 6.507 5.020 3.104 375 2HB PRO 49 2HB PRO 49 6.284 6.417 2.045 376 1HG PRO 49 1HG PRO 49 4.243 4.898 3.614 377 2HG PRO 49 2HG PRO 49 4.369 6.639 3.318 378 1HD PRO 49 1HD PRO 49 2.638 5.037 1.969 379 2HD PRO 49 2HD PRO 49 3.366 6.491 1.266 380 H SER 50 H SER 50 7.368 3.095 0.020 381 HA SER 50 HA SER 50 6.529 0.573 0.567 382 1HB SER 50 1HB SER 50 8.878 1.734 -0.553 383 2HB SER 50 2HB SER 50 9.311 0.342 0.425 384 HG SER 50 HG SER 50 8.626 -0.815 -1.173 385 H ASN 51 H ASN 51 8.860 2.266 2.598 386 HA ASN 51 HA ASN 51 9.234 -0.017 4.291 387 1HB ASN 51 1HB ASN 51 10.456 2.485 3.925 388 2HB ASN 51 2HB ASN 51 9.869 2.486 5.585 389 1HD2 ASN 51 1HD2 ASN 51 10.312 0.355 6.745 390 2HD2 ASN 51 2HD2 ASN 51 11.911 -0.274 6.573 391 H TYR 52 H TYR 52 6.583 1.969 3.920 392 HA TYR 52 HA TYR 52 5.853 1.937 6.752 393 1HB TYR 52 1HB TYR 52 4.999 3.435 4.369 394 2HB TYR 52 2HB TYR 52 3.736 3.092 5.546 395 HD1 TYR 52 HD1 TYR 52 7.300 4.240 5.557 396 HD2 TYR 52 HD2 TYR 52 3.374 4.729 7.125 397 HE1 TYR 52 HE1 TYR 52 8.093 6.109 6.941 398 HE2 TYR 52 HE2 TYR 52 4.156 6.601 8.517 399 HH TYR 52 HH TYR 52 7.239 8.048 8.096 400 H ILE 53 H ILE 53 5.546 -0.281 4.326 401 HA ILE 53 HA ILE 53 3.122 -1.352 5.592 402 HB ILE 53 HB ILE 53 2.309 -2.216 3.440 403 1HG1 ILE 53 1HG1 ILE 53 3.846 -0.414 1.746 404 2HG1 ILE 53 2HG1 ILE 53 4.866 -1.606 2.540 405 1HG2 ILE 53 1HG2 ILE 53 1.137 -0.335 2.950 406 2HG2 ILE 53 2HG2 ILE 53 2.567 0.695 2.945 407 3HG2 ILE 53 3HG2 ILE 53 1.856 0.182 4.475 408 1HD1 ILE 53 1HD1 ILE 53 2.751 -3.110 1.662 409 2HD1 ILE 53 2HD1 ILE 53 4.317 -2.953 0.864 410 3HD1 ILE 53 3HD1 ILE 53 2.968 -1.930 0.370 411 H GLU 54 H GLU 54 2.859 -3.757 4.548 412 HA GLU 54 HA GLU 54 5.469 -5.041 4.365 413 1HB GLU 54 1HB GLU 54 4.234 -4.805 6.836 414 2HB GLU 54 2HB GLU 54 3.809 -6.431 6.317 415 1HG GLU 54 1HG GLU 54 6.629 -5.414 6.266 416 2HG GLU 54 2HG GLU 54 5.912 -6.164 7.692 417 H MET 55 H MET 55 5.461 -6.720 3.055 418 HA MET 55 HA MET 55 3.264 -7.432 1.500 419 1HB MET 55 1HB MET 55 4.632 -9.287 0.696 420 2HB MET 55 2HB MET 55 5.605 -7.829 0.835 421 1HG MET 55 1HG MET 55 6.736 -8.621 2.719 422 2HG MET 55 2HG MET 55 5.530 -9.868 3.028 423 1HE MET 55 1HE MET 55 6.868 -8.917 -0.421 424 2HE MET 55 2HE MET 55 8.144 -10.089 -0.749 425 3HE MET 55 3HE MET 55 8.415 -8.791 0.415 426 H LYS 56 H LYS 56 1.700 -8.942 1.662 427 HA LYS 56 HA LYS 56 1.750 -10.738 3.988 428 1HB LYS 56 1HB LYS 56 0.298 -8.744 4.346 429 2HB LYS 56 2HB LYS 56 -0.664 -9.223 2.959 430 1HG LYS 56 1HG LYS 56 -1.779 -9.878 4.965 431 2HG LYS 56 2HG LYS 56 -1.220 -11.328 4.127 432 1HD LYS 56 1HD LYS 56 -0.034 -11.948 5.908 433 2HD LYS 56 2HD LYS 56 0.823 -10.407 5.913 434 1HE LYS 56 1HE LYS 56 -0.170 -10.026 7.875 435 2HE LYS 56 2HE LYS 56 -1.647 -9.756 6.950 436 1HZ LYS 56 1HZ LYS 56 -2.389 -11.362 8.338 437 2HZ LYS 56 2HZ LYS 56 -0.860 -12.050 8.569 438 3HZ LYS 56 3HZ LYS 56 -1.731 -12.381 7.158 439 H ASN 57 H ASN 57 -1.012 -10.591 1.848 440 HA ASN 57 HA ASN 57 -1.821 -11.990 0.265 441 1HB ASN 57 1HB ASN 57 0.511 -11.589 -0.722 442 2HB ASN 57 2HB ASN 57 0.915 -13.181 -0.087 443 1HD2 ASN 57 1HD2 ASN 57 0.052 -11.674 -2.796 444 2HD2 ASN 57 2HD2 ASN 57 -0.805 -12.930 -3.610 445 H HIS 58 H HIS 58 0.438 -13.601 2.511 446 HA HIS 58 HA HIS 58 0.349 -15.510 3.596 447 1HB HIS 58 1HB HIS 58 -1.816 -14.263 4.287 448 2HB HIS 58 2HB HIS 58 -2.626 -15.560 3.413 449 HD1 HIS 58 HD1 HIS 58 -0.475 -14.927 6.418 450 HD2 HIS 58 HD2 HIS 58 -2.636 -18.022 4.687 451 HE1 HIS 58 HE1 HIS 58 -0.524 -16.754 8.142 452 HE2 HIS 58 HE2 HIS 58 -1.819 -18.630 7.068 453 H ASP 59 H ASP 59 1.285 -16.501 1.685 454 HA ASP 59 HA ASP 59 -0.116 -18.930 1.060 455 1HB ASP 59 1HB ASP 59 0.111 -18.682 -1.419 456 2HB ASP 59 2HB ASP 59 -1.076 -17.596 -0.704 Start of MODEL 9 1 1H MET 1 1H MET 1 1.354 -10.831 -4.151 2 2H MET 1 2H MET 1 0.160 -11.292 -3.008 3 3H MET 1 3H MET 1 1.191 -9.957 -2.686 4 HA MET 1 HA MET 1 0.258 -8.872 -4.663 5 1HB MET 1 1HB MET 1 -0.819 -11.415 -5.052 6 2HB MET 1 2HB MET 1 -2.189 -10.481 -4.462 7 1HG MET 1 1HG MET 1 -2.120 -10.468 -6.882 8 2HG MET 1 2HG MET 1 -1.854 -8.848 -6.242 9 1HE MET 1 1HE MET 1 -0.653 -11.257 -8.931 10 2HE MET 1 2HE MET 1 -0.147 -12.077 -7.455 11 3HE MET 1 3HE MET 1 1.063 -11.464 -8.581 12 H GLU 2 H GLU 2 -0.402 -9.898 -1.552 13 HA GLU 2 HA GLU 2 -2.109 -7.543 -1.213 14 1HB GLU 2 1HB GLU 2 -2.599 -10.286 -0.243 15 2HB GLU 2 2HB GLU 2 -2.875 -9.013 0.938 16 1HG GLU 2 1HG GLU 2 -4.030 -8.520 -1.714 17 2HG GLU 2 2HG GLU 2 -4.712 -9.888 -0.836 18 H ALA 3 H ALA 3 -1.774 -6.312 0.713 19 HA ALA 3 HA ALA 3 0.391 -7.164 2.507 20 1HB ALA 3 1HB ALA 3 1.863 -5.574 1.947 21 2HB ALA 3 2HB ALA 3 0.608 -4.358 1.707 22 3HB ALA 3 3HB ALA 3 0.976 -5.511 0.424 23 H ILE 4 H ILE 4 0.585 -6.007 4.412 24 HA ILE 4 HA ILE 4 -1.885 -4.605 5.226 25 HB ILE 4 HB ILE 4 -0.156 -6.108 7.168 26 1HG1 ILE 4 1HG1 ILE 4 -0.939 -7.687 5.433 27 2HG1 ILE 4 2HG1 ILE 4 -1.657 -8.008 7.008 28 1HG2 ILE 4 1HG2 ILE 4 -2.034 -4.301 7.664 29 2HG2 ILE 4 2HG2 ILE 4 -1.781 -5.704 8.702 30 3HG2 ILE 4 3HG2 ILE 4 -3.074 -5.715 7.503 31 1HD1 ILE 4 1HD1 ILE 4 -3.740 -7.494 6.310 32 2HD1 ILE 4 2HD1 ILE 4 -3.061 -7.953 4.748 33 3HD1 ILE 4 3HD1 ILE 4 -3.180 -6.251 5.193 34 H ALA 5 H ALA 5 -1.694 -2.706 6.319 35 HA ALA 5 HA ALA 5 0.832 -1.388 6.350 36 1HB ALA 5 1HB ALA 5 -1.464 -0.350 6.010 37 2HB ALA 5 2HB ALA 5 -0.327 0.521 7.033 38 3HB ALA 5 3HB ALA 5 -1.627 -0.423 7.762 39 H LYS 6 H LYS 6 2.333 -1.569 7.865 40 HA LYS 6 HA LYS 6 1.684 -2.640 10.529 41 1HB LYS 6 1HB LYS 6 4.367 -1.607 9.618 42 2HB LYS 6 2HB LYS 6 4.029 -2.700 10.952 43 1HG LYS 6 1HG LYS 6 4.528 -4.355 9.568 44 2HG LYS 6 2HG LYS 6 3.004 -4.009 8.745 45 1HD LYS 6 1HD LYS 6 4.366 -3.773 6.960 46 2HD LYS 6 2HD LYS 6 4.556 -2.145 7.606 47 1HE LYS 6 1HE LYS 6 6.385 -4.117 8.766 48 2HE LYS 6 2HE LYS 6 6.604 -3.863 7.035 49 1HZ LYS 6 1HZ LYS 6 6.437 -1.591 8.919 50 2HZ LYS 6 2HZ LYS 6 7.070 -1.616 7.351 51 3HZ LYS 6 3HZ LYS 6 7.904 -2.378 8.609 52 H HIS 7 H HIS 7 1.730 0.310 9.024 53 HA HIS 7 HA HIS 7 1.256 1.668 11.498 54 1HB HIS 7 1HB HIS 7 3.726 2.274 9.884 55 2HB HIS 7 2HB HIS 7 2.986 3.477 10.939 56 HD1 HIS 7 HD1 HIS 7 2.452 2.207 13.483 57 HD2 HIS 7 HD2 HIS 7 5.731 1.035 11.214 58 HE1 HIS 7 HE1 HIS 7 4.009 1.069 15.091 59 HE2 HIS 7 HE2 HIS 7 5.917 0.244 13.670 60 H ASP 8 H ASP 8 1.052 4.111 10.967 61 HA ASP 8 HA ASP 8 -1.070 4.210 9.037 62 1HB ASP 8 1HB ASP 8 0.096 6.241 10.949 63 2HB ASP 8 2HB ASP 8 -1.220 6.631 9.845 64 H PHE 9 H PHE 9 -1.146 5.466 7.115 65 HA PHE 9 HA PHE 9 1.381 6.730 6.391 66 1HB PHE 9 1HB PHE 9 1.825 4.880 5.149 67 2HB PHE 9 2HB PHE 9 0.137 4.400 5.073 68 HD1 PHE 9 HD1 PHE 9 -0.622 4.184 2.956 69 HD2 PHE 9 HD2 PHE 9 2.118 7.317 3.825 70 HE1 PHE 9 HE1 PHE 9 -0.713 4.903 0.610 71 HE2 PHE 9 HE2 PHE 9 2.038 8.045 1.478 72 HZ PHE 9 HZ PHE 9 0.623 6.834 -0.136 73 H SER 10 H SER 10 1.133 8.660 5.613 74 HA SER 10 HA SER 10 -1.309 9.345 4.112 75 1HB SER 10 1HB SER 10 0.364 11.275 5.742 76 2HB SER 10 2HB SER 10 -1.196 11.593 4.983 77 HG SER 10 HG SER 10 -1.279 11.163 7.283 78 H ALA 11 H ALA 11 -1.085 9.980 2.148 79 HA ALA 11 HA ALA 11 1.175 9.567 0.676 80 1HB ALA 11 1HB ALA 11 -0.068 11.176 -0.959 81 2HB ALA 11 2HB ALA 11 -1.358 11.044 0.234 82 3HB ALA 11 3HB ALA 11 -0.737 9.595 -0.551 83 H THR 12 H THR 12 2.846 10.627 0.038 84 HA THR 12 HA THR 12 3.202 13.389 0.956 85 HB THR 12 HB THR 12 4.991 11.001 0.875 86 HG1 THR 12 HG1 THR 12 4.661 11.575 2.870 87 1HG2 THR 12 1HG2 THR 12 6.080 12.803 -0.652 88 2HG2 THR 12 2HG2 THR 12 7.026 12.036 0.616 89 3HG2 THR 12 3HG2 THR 12 6.372 13.654 0.863 90 H ALA 13 H ALA 13 2.166 11.969 -1.620 91 HA ALA 13 HA ALA 13 3.063 14.106 -3.357 92 1HB ALA 13 1HB ALA 13 3.746 12.567 -5.150 93 2HB ALA 13 2HB ALA 13 3.535 11.203 -4.060 94 3HB ALA 13 3HB ALA 13 4.776 12.406 -3.730 95 H ASP 14 H ASP 14 1.869 14.075 -5.381 96 HA ASP 14 HA ASP 14 -0.880 13.944 -4.883 97 1HB ASP 14 1HB ASP 14 0.724 15.140 -6.777 98 2HB ASP 14 2HB ASP 14 -0.196 13.978 -7.726 99 H ASP 15 H ASP 15 1.254 11.691 -6.403 100 HA ASP 15 HA ASP 15 -0.942 10.108 -7.433 101 1HB ASP 15 1HB ASP 15 2.049 9.903 -7.664 102 2HB ASP 15 2HB ASP 15 0.942 8.713 -8.335 103 H GLU 16 H GLU 16 -0.151 10.306 -4.460 104 HA GLU 16 HA GLU 16 0.196 7.434 -3.899 105 1HB GLU 16 1HB GLU 16 0.617 9.619 -1.911 106 2HB GLU 16 2HB GLU 16 1.252 7.989 -1.893 107 1HG GLU 16 1HG GLU 16 2.565 8.727 -3.968 108 2HG GLU 16 2HG GLU 16 2.146 10.355 -3.483 109 H LEU 17 H LEU 17 -0.792 6.736 -1.842 110 HA LEU 17 HA LEU 17 -3.510 7.858 -1.619 111 1HB LEU 17 1HB LEU 17 -2.763 5.324 -2.384 112 2HB LEU 17 2HB LEU 17 -3.177 5.105 -0.705 113 HG LEU 17 HG LEU 17 -4.949 6.045 -2.951 114 1HD1 LEU 17 1HD1 LEU 17 -5.006 3.725 -1.043 115 2HD1 LEU 17 2HD1 LEU 17 -4.849 3.687 -2.800 116 3HD1 LEU 17 3HD1 LEU 17 -6.373 4.178 -2.060 117 1HD2 LEU 17 1HD2 LEU 17 -5.741 5.995 -0.048 118 2HD2 LEU 17 2HD2 LEU 17 -6.696 6.549 -1.419 119 3HD2 LEU 17 3HD2 LEU 17 -5.279 7.465 -0.906 120 H SER 18 H SER 18 -4.272 6.342 0.751 121 HA SER 18 HA SER 18 -2.398 6.875 2.845 122 1HB SER 18 1HB SER 18 -3.736 9.097 2.253 123 2HB SER 18 2HB SER 18 -4.993 8.298 3.195 124 HG SER 18 HG SER 18 -3.286 9.719 4.263 125 H PHE 19 H PHE 19 -3.113 5.960 4.833 126 HA PHE 19 HA PHE 19 -5.699 4.791 5.129 127 1HB PHE 19 1HB PHE 19 -4.069 3.302 3.542 128 2HB PHE 19 2HB PHE 19 -3.722 2.621 5.121 129 HD1 PHE 19 HD1 PHE 19 -6.662 3.227 6.119 130 HD2 PHE 19 HD2 PHE 19 -5.029 1.221 2.737 131 HE1 PHE 19 HE1 PHE 19 -8.667 1.820 5.997 132 HE2 PHE 19 HE2 PHE 19 -7.048 -0.185 2.600 133 HZ PHE 19 HZ PHE 19 -8.865 0.110 4.235 134 H ARG 20 H ARG 20 -5.698 3.252 7.111 135 HA ARG 20 HA ARG 20 -4.010 4.449 9.186 136 1HB ARG 20 1HB ARG 20 -6.645 3.046 9.607 137 2HB ARG 20 2HB ARG 20 -5.824 4.153 10.699 138 1HG ARG 20 1HG ARG 20 -6.794 5.064 8.012 139 2HG ARG 20 2HG ARG 20 -7.875 4.995 9.403 140 1HD ARG 20 1HD ARG 20 -5.814 6.296 10.512 141 2HD ARG 20 2HD ARG 20 -5.609 6.815 8.841 142 HE ARG 20 HE ARG 20 -7.813 7.465 10.627 143 1HH1 ARG 20 1HH1 ARG 20 -6.528 7.590 7.382 144 2HH1 ARG 20 2HH1 ARG 20 -7.574 8.876 6.888 145 1HH2 ARG 20 1HH2 ARG 20 -9.186 9.153 9.971 146 2HH2 ARG 20 2HH2 ARG 20 -9.082 9.762 8.353 147 H LYS 21 H LYS 21 -3.331 3.119 10.950 148 HA LYS 21 HA LYS 21 -2.004 0.841 10.285 149 1HB LYS 21 1HB LYS 21 -1.212 1.116 12.329 150 2HB LYS 21 2HB LYS 21 -2.498 2.258 12.668 151 1HG LYS 21 1HG LYS 21 -3.516 -0.399 12.979 152 2HG LYS 21 2HG LYS 21 -2.012 -0.236 13.880 153 1HD LYS 21 1HD LYS 21 -2.984 1.043 15.432 154 2HD LYS 21 2HD LYS 21 -3.706 2.090 14.209 155 1HE LYS 21 1HE LYS 21 -4.848 -0.617 14.829 156 2HE LYS 21 2HE LYS 21 -5.284 0.805 15.777 157 1HZ LYS 21 1HZ LYS 21 -6.453 1.699 14.072 158 2HZ LYS 21 2HZ LYS 21 -6.630 0.073 13.641 159 3HZ LYS 21 3HZ LYS 21 -5.467 1.028 12.872 160 H GLY 22 H GLY 22 -2.316 -1.261 10.108 161 1HA GLY 22 1HA GLY 22 -3.351 -3.323 10.232 162 2HA GLY 22 2HA GLY 22 -4.706 -2.569 11.048 163 H GLN 23 H GLN 23 -4.012 -0.914 8.175 164 HA GLN 23 HA GLN 23 -6.445 -1.842 7.017 165 1HB GLN 23 1HB GLN 23 -5.704 -0.318 5.124 166 2HB GLN 23 2HB GLN 23 -5.995 0.442 6.681 167 1HG GLN 23 1HG GLN 23 -3.992 1.389 6.403 168 2HG GLN 23 2HG GLN 23 -3.331 -0.191 6.798 169 1HE2 GLN 23 1HE2 GLN 23 -4.221 -1.466 4.423 170 2HE2 GLN 23 2HE2 GLN 23 -3.207 -0.940 3.164 171 H ILE 24 H ILE 24 -6.691 -2.599 4.766 172 HA ILE 24 HA ILE 24 -4.433 -4.321 3.994 173 HB ILE 24 HB ILE 24 -7.395 -4.675 3.803 174 1HG1 ILE 24 1HG1 ILE 24 -6.785 -6.925 4.671 175 2HG1 ILE 24 2HG1 ILE 24 -5.095 -6.445 4.646 176 1HG2 ILE 24 1HG2 ILE 24 -6.750 -6.761 2.379 177 2HG2 ILE 24 2HG2 ILE 24 -5.344 -5.790 1.940 178 3HG2 ILE 24 3HG2 ILE 24 -6.968 -5.197 1.594 179 1HD1 ILE 24 1HD1 ILE 24 -7.018 -6.075 6.694 180 2HD1 ILE 24 2HD1 ILE 24 -6.505 -4.491 6.122 181 3HD1 ILE 24 3HD1 ILE 24 -5.307 -5.649 6.693 182 H LEU 25 H LEU 25 -3.267 -3.354 2.455 183 HA LEU 25 HA LEU 25 -4.541 -1.826 0.298 184 1HB LEU 25 1HB LEU 25 -1.677 -2.252 1.149 185 2HB LEU 25 2HB LEU 25 -2.070 -1.520 -0.390 186 HG LEU 25 HG LEU 25 -3.346 -0.260 1.945 187 1HD1 LEU 25 1HD1 LEU 25 -1.150 -0.828 2.876 188 2HD1 LEU 25 2HD1 LEU 25 -1.336 0.910 2.647 189 3HD1 LEU 25 3HD1 LEU 25 -0.373 -0.028 1.509 190 1HD2 LEU 25 1HD2 LEU 25 -3.660 0.804 -0.131 191 2HD2 LEU 25 2HD2 LEU 25 -1.946 0.701 -0.526 192 3HD2 LEU 25 3HD2 LEU 25 -2.490 1.786 0.749 193 H LYS 26 H LYS 26 -4.625 -2.521 -1.820 194 HA LYS 26 HA LYS 26 -3.890 -5.301 -2.314 195 1HB LYS 26 1HB LYS 26 -5.895 -3.473 -3.269 196 2HB LYS 26 2HB LYS 26 -5.006 -4.138 -4.631 197 1HG LYS 26 1HG LYS 26 -6.499 -5.795 -4.484 198 2HG LYS 26 2HG LYS 26 -5.449 -6.376 -3.193 199 1HD LYS 26 1HD LYS 26 -7.771 -6.377 -2.464 200 2HD LYS 26 2HD LYS 26 -6.830 -5.205 -1.543 201 1HE LYS 26 1HE LYS 26 -9.084 -4.402 -2.258 202 2HE LYS 26 2HE LYS 26 -7.745 -3.382 -2.775 203 1HZ LYS 26 1HZ LYS 26 -8.326 -3.663 -4.880 204 2HZ LYS 26 2HZ LYS 26 -9.721 -4.463 -4.359 205 3HZ LYS 26 3HZ LYS 26 -8.332 -5.349 -4.737 206 H ILE 27 H ILE 27 -2.089 -5.872 -3.395 207 HA ILE 27 HA ILE 27 -0.447 -3.809 -4.611 208 HB ILE 27 HB ILE 27 0.134 -6.759 -4.425 209 1HG1 ILE 27 1HG1 ILE 27 -0.283 -5.803 -2.190 210 2HG1 ILE 27 2HG1 ILE 27 1.403 -6.258 -2.405 211 1HG2 ILE 27 1HG2 ILE 27 1.975 -4.397 -4.762 212 2HG2 ILE 27 2HG2 ILE 27 1.460 -5.479 -6.056 213 3HG2 ILE 27 3HG2 ILE 27 2.441 -6.097 -4.728 214 1HD1 ILE 27 1HD1 ILE 27 2.134 -4.103 -2.339 215 2HD1 ILE 27 2HD1 ILE 27 0.710 -3.972 -1.308 216 3HD1 ILE 27 3HD1 ILE 27 0.628 -3.453 -2.991 217 H LEU 28 H LEU 28 -0.131 -3.494 -6.688 218 HA LEU 28 HA LEU 28 -1.142 -5.439 -8.669 219 1HB LEU 28 1HB LEU 28 -1.624 -2.460 -8.714 220 2HB LEU 28 2HB LEU 28 -2.015 -3.568 -10.014 221 HG LEU 28 HG LEU 28 -3.254 -3.529 -7.264 222 1HD1 LEU 28 1HD1 LEU 28 -5.321 -3.153 -8.756 223 2HD1 LEU 28 2HD1 LEU 28 -4.152 -2.659 -9.981 224 3HD1 LEU 28 3HD1 LEU 28 -4.237 -1.801 -8.445 225 1HD2 LEU 28 1HD2 LEU 28 -3.545 -5.726 -7.636 226 2HD2 LEU 28 2HD2 LEU 28 -3.189 -5.590 -9.357 227 3HD2 LEU 28 3HD2 LEU 28 -4.798 -5.190 -8.754 228 H ASN 29 H ASN 29 0.884 -2.628 -7.994 229 HA ASN 29 HA ASN 29 2.942 -3.682 -9.759 230 1HB ASN 29 1HB ASN 29 3.165 -1.434 -10.896 231 2HB ASN 29 2HB ASN 29 1.817 -2.450 -11.387 232 1HD2 ASN 29 1HD2 ASN 29 2.480 0.544 -11.198 233 2HD2 ASN 29 2HD2 ASN 29 1.019 1.216 -10.568 234 H MET 30 H MET 30 5.009 -2.942 -9.209 235 HA MET 30 HA MET 30 5.208 -1.600 -6.643 236 1HB MET 30 1HB MET 30 7.221 -2.967 -8.425 237 2HB MET 30 2HB MET 30 7.677 -2.119 -6.954 238 1HG MET 30 1HG MET 30 6.075 -3.623 -5.726 239 2HG MET 30 2HG MET 30 5.941 -4.557 -7.215 240 1HE MET 30 1HE MET 30 8.173 -7.137 -5.603 241 2HE MET 30 2HE MET 30 6.752 -6.775 -6.580 242 3HE MET 30 3HE MET 30 6.782 -6.337 -4.871 243 H GLU 31 H GLU 31 5.125 -0.655 -9.836 244 HA GLU 31 HA GLU 31 5.256 1.404 -10.739 245 1HB GLU 31 1HB GLU 31 5.094 2.222 -8.337 246 2HB GLU 31 2HB GLU 31 6.839 2.413 -8.412 247 1HG GLU 31 1HG GLU 31 6.356 3.764 -10.563 248 2HG GLU 31 2HG GLU 31 4.712 3.857 -9.933 249 H ASP 32 H ASP 32 7.897 2.893 -9.832 250 HA ASP 32 HA ASP 32 9.511 1.389 -11.681 251 1HB ASP 32 1HB ASP 32 10.803 3.488 -12.211 252 2HB ASP 32 2HB ASP 32 9.147 3.390 -12.804 253 H ASP 33 H ASP 33 9.359 1.492 -8.580 254 HA ASP 33 HA ASP 33 12.088 0.705 -8.392 255 1HB ASP 33 1HB ASP 33 12.701 2.417 -6.715 256 2HB ASP 33 2HB ASP 33 12.307 3.115 -8.283 257 H SER 34 H SER 34 12.663 0.052 -6.224 258 HA SER 34 HA SER 34 10.725 -1.682 -5.013 259 1HB SER 34 1HB SER 34 13.576 -0.933 -4.450 260 2HB SER 34 2HB SER 34 12.652 -1.912 -3.310 261 HG SER 34 HG SER 34 12.905 -2.538 -6.063 262 H ASN 35 H ASN 35 11.627 1.687 -4.307 263 HA ASN 35 HA ASN 35 10.752 1.331 -1.572 264 1HB ASN 35 1HB ASN 35 12.488 3.096 -2.747 265 2HB ASN 35 2HB ASN 35 11.096 4.109 -2.382 266 1HD2 ASN 35 1HD2 ASN 35 13.388 4.652 -1.147 267 2HD2 ASN 35 2HD2 ASN 35 13.323 4.200 0.519 268 H TRP 36 H TRP 36 9.271 2.592 -4.472 269 HA TRP 36 HA TRP 36 6.931 3.279 -2.805 270 1HB TRP 36 1HB TRP 36 7.712 4.301 -5.551 271 2HB TRP 36 2HB TRP 36 6.176 4.658 -4.761 272 HD1 TRP 36 HD1 TRP 36 9.498 6.095 -5.195 273 HE1 TRP 36 HE1 TRP 36 9.981 7.914 -3.439 274 HE3 TRP 36 HE3 TRP 36 5.683 5.113 -1.912 275 HZ2 TRP 36 HZ2 TRP 36 8.909 8.806 -0.990 276 HZ3 TRP 36 HZ3 TRP 36 5.495 6.499 0.110 277 HH2 TRP 36 HH2 TRP 36 7.073 8.306 0.564 278 H TYR 37 H TYR 37 5.073 2.090 -3.127 279 HA TYR 37 HA TYR 37 5.039 0.239 -5.422 280 1HB TYR 37 1HB TYR 37 4.156 -0.222 -2.569 281 2HB TYR 37 2HB TYR 37 3.707 -1.287 -3.895 282 HD1 TYR 37 HD1 TYR 37 6.598 -0.790 -5.210 283 HD2 TYR 37 HD2 TYR 37 5.183 -2.135 -1.431 284 HE1 TYR 37 HE1 TYR 37 8.675 -2.063 -4.893 285 HE2 TYR 37 HE2 TYR 37 7.258 -3.411 -1.101 286 HH TYR 37 HH TYR 37 10.006 -2.973 -2.993 287 H ARG 38 H ARG 38 2.770 -0.517 -5.956 288 HA ARG 38 HA ARG 38 0.929 1.744 -5.587 289 1HB ARG 38 1HB ARG 38 1.400 -0.034 -7.949 290 2HB ARG 38 2HB ARG 38 -0.111 0.841 -7.764 291 1HG ARG 38 1HG ARG 38 2.569 2.182 -7.687 292 2HG ARG 38 2HG ARG 38 1.650 1.955 -9.168 293 1HD ARG 38 1HD ARG 38 -0.097 3.331 -8.434 294 2HD ARG 38 2HD ARG 38 0.456 3.273 -6.760 295 HE ARG 38 HE ARG 38 2.498 4.483 -7.729 296 1HH1 ARG 38 1HH1 ARG 38 -0.796 4.937 -8.805 297 2HH1 ARG 38 2HH1 ARG 38 -0.514 6.555 -9.347 298 1HH2 ARG 38 1HH2 ARG 38 2.858 6.582 -8.436 299 2HH2 ARG 38 2HH2 ARG 38 1.573 7.473 -9.175 300 H ALA 39 H ALA 39 -0.944 1.427 -4.629 301 HA ALA 39 HA ALA 39 -2.089 -1.260 -4.639 302 1HB ALA 39 1HB ALA 39 -1.123 0.179 -2.295 303 2HB ALA 39 2HB ALA 39 -1.448 -1.541 -2.520 304 3HB ALA 39 3HB ALA 39 -2.766 -0.435 -2.134 305 H GLU 40 H GLU 40 -4.289 -1.421 -4.291 306 HA GLU 40 HA GLU 40 -5.813 1.029 -4.868 307 1HB GLU 40 1HB GLU 40 -5.844 -1.425 -6.113 308 2HB GLU 40 2HB GLU 40 -7.194 -1.568 -4.994 309 1HG GLU 40 1HG GLU 40 -7.649 0.885 -6.042 310 2HG GLU 40 2HG GLU 40 -6.902 0.062 -7.410 311 H LEU 41 H LEU 41 -7.483 1.657 -3.505 312 HA LEU 41 HA LEU 41 -8.365 -0.090 -1.374 313 1HB LEU 41 1HB LEU 41 -6.904 0.766 0.093 314 2HB LEU 41 2HB LEU 41 -6.480 2.095 -0.965 315 HG LEU 41 HG LEU 41 -8.605 3.237 -0.194 316 1HD1 LEU 41 1HD1 LEU 41 -9.339 2.421 2.109 317 2HD1 LEU 41 2HD1 LEU 41 -8.563 0.896 1.683 318 3HD1 LEU 41 3HD1 LEU 41 -9.897 1.505 0.712 319 1HD2 LEU 41 1HD2 LEU 41 -6.160 3.492 0.662 320 2HD2 LEU 41 2HD2 LEU 41 -6.806 2.754 2.122 321 3HD2 LEU 41 3HD2 LEU 41 -7.488 4.261 1.529 322 H ASP 42 H ASP 42 -10.446 0.199 -0.964 323 HA ASP 42 HA ASP 42 -12.593 0.875 -1.240 324 1HB ASP 42 1HB ASP 42 -11.303 2.906 0.063 325 2HB ASP 42 2HB ASP 42 -12.020 3.755 -1.303 326 H GLY 43 H GLY 43 -10.992 0.504 -3.664 327 1HA GLY 43 1HA GLY 43 -11.635 0.589 -5.912 328 2HA GLY 43 2HA GLY 43 -12.853 1.774 -5.484 329 H LYS 44 H LYS 44 -9.779 2.565 -4.282 330 HA LYS 44 HA LYS 44 -9.327 4.442 -6.515 331 1HB LYS 44 1HB LYS 44 -9.945 5.046 -3.899 332 2HB LYS 44 2HB LYS 44 -8.190 5.135 -3.895 333 1HG LYS 44 1HG LYS 44 -8.732 6.541 -6.128 334 2HG LYS 44 2HG LYS 44 -10.174 6.890 -5.173 335 1HD LYS 44 1HD LYS 44 -7.648 7.059 -3.687 336 2HD LYS 44 2HD LYS 44 -7.816 8.239 -4.987 337 1HE LYS 44 1HE LYS 44 -9.650 9.248 -4.019 338 2HE LYS 44 2HE LYS 44 -10.084 7.811 -3.095 339 1HZ LYS 44 1HZ LYS 44 -9.088 8.776 -1.379 340 2HZ LYS 44 2HZ LYS 44 -8.441 10.007 -2.341 341 3HZ LYS 44 3HZ LYS 44 -7.606 8.547 -2.164 342 H GLU 45 H GLU 45 -7.237 4.600 -7.300 343 HA GLU 45 HA GLU 45 -5.303 2.727 -6.127 344 1HB GLU 45 1HB GLU 45 -5.926 2.249 -8.474 345 2HB GLU 45 2HB GLU 45 -5.365 3.848 -8.940 346 1HG GLU 45 1HG GLU 45 -3.580 2.536 -9.516 347 2HG GLU 45 2HG GLU 45 -3.118 3.068 -7.899 348 H GLY 46 H GLY 46 -3.266 3.270 -5.728 349 1HA GLY 46 1HA GLY 46 -2.005 5.744 -6.241 350 2HA GLY 46 2HA GLY 46 -2.800 5.811 -4.671 351 H LEU 47 H LEU 47 0.055 5.881 -5.270 352 HA LEU 47 HA LEU 47 1.198 3.373 -4.540 353 1HB LEU 47 1HB LEU 47 3.306 4.424 -4.614 354 2HB LEU 47 2HB LEU 47 2.348 5.110 -5.909 355 HG LEU 47 HG LEU 47 1.844 6.957 -4.096 356 1HD1 LEU 47 1HD1 LEU 47 4.365 7.177 -3.090 357 2HD1 LEU 47 2HD1 LEU 47 4.061 5.445 -2.961 358 3HD1 LEU 47 3HD1 LEU 47 2.958 6.593 -2.204 359 1HD2 LEU 47 1HD2 LEU 47 2.766 7.967 -5.852 360 2HD2 LEU 47 2HD2 LEU 47 3.864 6.622 -6.166 361 3HD2 LEU 47 3HD2 LEU 47 4.285 7.843 -4.964 362 H ILE 48 H ILE 48 2.639 3.084 -2.727 363 HA ILE 48 HA ILE 48 1.831 4.450 -0.235 364 HB ILE 48 HB ILE 48 2.509 1.608 0.096 365 1HG1 ILE 48 1HG1 ILE 48 -0.138 1.280 -0.546 366 2HG1 ILE 48 2HG1 ILE 48 0.427 2.340 -1.831 367 1HG2 ILE 48 1HG2 ILE 48 1.526 3.236 1.814 368 2HG2 ILE 48 2HG2 ILE 48 0.898 1.600 1.757 369 3HG2 ILE 48 3HG2 ILE 48 -0.012 2.919 1.028 370 1HD1 ILE 48 1HD1 ILE 48 1.920 -0.136 -1.074 371 2HD1 ILE 48 2HD1 ILE 48 1.994 0.787 -2.574 372 3HD1 ILE 48 3HD1 ILE 48 0.569 -0.177 -2.203 373 HA PRO 49 HA PRO 49 6.203 4.433 0.369 374 1HB PRO 49 1HB PRO 49 6.437 4.941 3.031 375 2HB PRO 49 2HB PRO 49 5.841 6.169 1.909 376 1HG PRO 49 1HG PRO 49 4.324 4.411 3.767 377 2HG PRO 49 2HG PRO 49 4.026 6.099 3.326 378 1HD PRO 49 1HD PRO 49 2.691 3.905 2.273 379 2HD PRO 49 2HD PRO 49 2.767 5.497 1.517 380 H SER 50 H SER 50 7.284 2.613 0.222 381 HA SER 50 HA SER 50 6.509 0.126 1.001 382 1HB SER 50 1HB SER 50 8.557 1.099 -0.470 383 2HB SER 50 2HB SER 50 9.426 0.456 0.917 384 HG SER 50 HG SER 50 9.096 -1.446 0.123 385 H ASN 51 H ASN 51 8.067 2.353 3.004 386 HA ASN 51 HA ASN 51 9.023 0.493 4.973 387 1HB ASN 51 1HB ASN 51 8.577 3.439 5.416 388 2HB ASN 51 2HB ASN 51 9.696 2.375 6.259 389 1HD2 ASN 51 1HD2 ASN 51 9.017 3.938 3.185 390 2HD2 ASN 51 2HD2 ASN 51 10.645 3.921 2.607 391 H TYR 52 H TYR 52 5.955 2.046 4.467 392 HA TYR 52 HA TYR 52 5.140 1.550 7.241 393 1HB TYR 52 1HB TYR 52 3.916 3.069 4.969 394 2HB TYR 52 2HB TYR 52 2.943 2.591 6.351 395 HD1 TYR 52 HD1 TYR 52 3.733 5.426 5.295 396 HD2 TYR 52 HD2 TYR 52 5.202 2.963 8.439 397 HE1 TYR 52 HE1 TYR 52 4.484 7.426 6.500 398 HE2 TYR 52 HE2 TYR 52 5.955 4.964 9.655 399 HH TYR 52 HH TYR 52 5.027 7.688 9.474 400 H ILE 53 H ILE 53 5.383 -0.460 4.713 401 HA ILE 53 HA ILE 53 2.963 -1.907 5.518 402 HB ILE 53 HB ILE 53 2.664 -2.613 3.116 403 1HG1 ILE 53 1HG1 ILE 53 4.381 -0.188 2.554 404 2HG1 ILE 53 2HG1 ILE 53 4.944 -1.849 2.405 405 1HG2 ILE 53 1HG2 ILE 53 1.974 0.050 2.660 406 2HG2 ILE 53 2HG2 ILE 53 1.915 -0.145 4.412 407 3HG2 ILE 53 3HG2 ILE 53 0.963 -1.206 3.374 408 1HD1 ILE 53 1HD1 ILE 53 3.665 -2.255 0.543 409 2HD1 ILE 53 2HD1 ILE 53 4.109 -0.564 0.317 410 3HD1 ILE 53 3HD1 ILE 53 2.508 -0.981 0.928 411 H GLU 54 H GLU 54 2.984 -4.193 4.652 412 HA GLU 54 HA GLU 54 5.662 -5.311 4.266 413 1HB GLU 54 1HB GLU 54 5.385 -5.303 6.696 414 2HB GLU 54 2HB GLU 54 3.853 -6.145 6.544 415 1HG GLU 54 1HG GLU 54 5.438 -7.761 7.184 416 2HG GLU 54 2HG GLU 54 5.146 -8.027 5.464 417 H MET 55 H MET 55 5.679 -7.061 3.007 418 HA MET 55 HA MET 55 3.497 -7.714 1.433 419 1HB MET 55 1HB MET 55 6.210 -8.456 1.603 420 2HB MET 55 2HB MET 55 5.289 -9.954 1.592 421 1HG MET 55 1HG MET 55 5.650 -9.581 -0.647 422 2HG MET 55 2HG MET 55 4.046 -8.893 -0.409 423 1HE MET 55 1HE MET 55 3.453 -6.887 -1.600 424 2HE MET 55 2HE MET 55 4.483 -7.617 -2.832 425 3HE MET 55 3HE MET 55 4.609 -5.892 -2.486 426 H LYS 56 H LYS 56 1.754 -8.871 1.732 427 HA LYS 56 HA LYS 56 1.666 -10.736 4.003 428 1HB LYS 56 1HB LYS 56 0.116 -8.794 4.100 429 2HB LYS 56 2HB LYS 56 -0.643 -9.351 2.617 430 1HG LYS 56 1HG LYS 56 -2.067 -10.137 4.254 431 2HG LYS 56 2HG LYS 56 -1.052 -11.542 3.923 432 1HD LYS 56 1HD LYS 56 0.392 -10.828 5.850 433 2HD LYS 56 2HD LYS 56 -0.835 -9.622 6.233 434 1HE LYS 56 1HE LYS 56 -1.721 -12.431 5.874 435 2HE LYS 56 2HE LYS 56 -0.826 -12.036 7.340 436 1HZ LYS 56 1HZ LYS 56 -2.667 -11.185 8.191 437 2HZ LYS 56 2HZ LYS 56 -3.526 -11.573 6.787 438 3HZ LYS 56 3HZ LYS 56 -2.776 -10.063 6.929 439 H ASN 57 H ASN 57 -1.011 -11.067 1.980 440 HA ASN 57 HA ASN 57 -1.697 -12.572 0.459 441 1HB ASN 57 1HB ASN 57 -0.362 -12.776 -1.316 442 2HB ASN 57 2HB ASN 57 0.868 -11.924 -0.388 443 1HD2 ASN 57 1HD2 ASN 57 -0.029 -14.811 -1.890 444 2HD2 ASN 57 2HD2 ASN 57 1.331 -15.767 -1.419 445 H HIS 58 H HIS 58 0.899 -13.800 2.652 446 HA HIS 58 HA HIS 58 1.133 -15.705 3.746 447 1HB HIS 58 1HB HIS 58 -1.117 -14.742 4.532 448 2HB HIS 58 2HB HIS 58 -1.841 -16.060 3.618 449 HD1 HIS 58 HD1 HIS 58 -0.252 -15.278 6.831 450 HD2 HIS 58 HD2 HIS 58 -1.129 -18.672 4.607 451 HE1 HIS 58 HE1 HIS 58 0.001 -17.210 8.422 452 HE2 HIS 58 HE2 HIS 58 -0.435 -19.260 7.024 453 H ASP 59 H ASP 59 2.209 -16.759 2.080 454 HA ASP 59 HA ASP 59 2.659 -18.449 0.627 455 1HB ASP 59 1HB ASP 59 1.977 -20.581 1.315 456 2HB ASP 59 2HB ASP 59 1.898 -19.627 2.794 Start of MODEL 10 1 1H MET 1 1H MET 1 -2.665 -10.381 -4.720 2 2H MET 1 2H MET 1 -1.656 -11.602 -4.065 3 3H MET 1 3H MET 1 -1.431 -11.080 -5.679 4 HA MET 1 HA MET 1 0.104 -10.258 -3.830 5 1HB MET 1 1HB MET 1 -1.141 -8.230 -5.693 6 2HB MET 1 2HB MET 1 0.531 -8.319 -5.164 7 1HG MET 1 1HG MET 1 0.428 -10.655 -6.382 8 2HG MET 1 2HG MET 1 -0.888 -9.874 -7.254 9 1HE MET 1 1HE MET 1 0.009 -8.278 -9.710 10 2HE MET 1 2HE MET 1 0.573 -6.854 -8.836 11 3HE MET 1 3HE MET 1 -0.827 -7.752 -8.249 12 H GLU 2 H GLU 2 -0.979 -10.173 -1.703 13 HA GLU 2 HA GLU 2 -2.494 -7.689 -1.312 14 1HB GLU 2 1HB GLU 2 -3.949 -9.554 -0.912 15 2HB GLU 2 2HB GLU 2 -2.753 -10.343 0.104 16 1HG GLU 2 1HG GLU 2 -3.081 -8.794 1.856 17 2HG GLU 2 2HG GLU 2 -4.001 -7.704 0.819 18 H ALA 3 H ALA 3 -2.154 -6.523 0.641 19 HA ALA 3 HA ALA 3 0.094 -7.314 2.340 20 1HB ALA 3 1HB ALA 3 1.156 -5.974 0.623 21 2HB ALA 3 2HB ALA 3 1.132 -5.088 2.149 22 3HB ALA 3 3HB ALA 3 -0.018 -4.682 0.878 23 H ILE 4 H ILE 4 0.372 -5.724 4.145 24 HA ILE 4 HA ILE 4 -2.216 -4.586 4.987 25 HB ILE 4 HB ILE 4 -1.843 -5.400 7.280 26 1HG1 ILE 4 1HG1 ILE 4 -0.150 -7.553 7.057 27 2HG1 ILE 4 2HG1 ILE 4 0.669 -6.342 6.074 28 1HG2 ILE 4 1HG2 ILE 4 -2.781 -7.487 6.925 29 2HG2 ILE 4 2HG2 ILE 4 -1.793 -7.791 5.500 30 3HG2 ILE 4 3HG2 ILE 4 -3.127 -6.650 5.412 31 1HD1 ILE 4 1HD1 ILE 4 -0.095 -5.005 8.396 32 2HD1 ILE 4 2HD1 ILE 4 1.526 -5.534 7.945 33 3HD1 ILE 4 3HD1 ILE 4 0.501 -6.578 8.930 34 H ALA 5 H ALA 5 -2.185 -2.733 6.110 35 HA ALA 5 HA ALA 5 0.165 -1.138 6.074 36 1HB ALA 5 1HB ALA 5 -1.182 0.600 6.906 37 2HB ALA 5 2HB ALA 5 -2.360 -0.526 7.558 38 3HB ALA 5 3HB ALA 5 -2.205 -0.332 5.815 39 H LYS 6 H LYS 6 1.710 -0.966 7.498 40 HA LYS 6 HA LYS 6 1.404 -2.168 10.155 41 1HB LYS 6 1HB LYS 6 3.787 -1.173 8.605 42 2HB LYS 6 2HB LYS 6 3.892 -1.555 10.318 43 1HG LYS 6 1HG LYS 6 3.561 -3.815 9.968 44 2HG LYS 6 2HG LYS 6 2.806 -3.564 8.393 45 1HD LYS 6 1HD LYS 6 4.785 -3.974 7.467 46 2HD LYS 6 2HD LYS 6 5.376 -2.480 8.166 47 1HE LYS 6 1HE LYS 6 6.860 -4.250 8.792 48 2HE LYS 6 2HE LYS 6 5.958 -3.746 10.221 49 1HZ LYS 6 1HZ LYS 6 5.465 -5.884 10.474 50 2HZ LYS 6 2HZ LYS 6 6.041 -6.296 8.938 51 3HZ LYS 6 3HZ LYS 6 4.451 -5.751 9.125 52 H HIS 7 H HIS 7 1.246 0.863 8.672 53 HA HIS 7 HA HIS 7 0.789 2.167 11.205 54 1HB HIS 7 1HB HIS 7 3.024 3.138 9.407 55 2HB HIS 7 2HB HIS 7 2.431 3.964 10.845 56 HD1 HIS 7 HD1 HIS 7 2.877 2.714 13.163 57 HD2 HIS 7 HD2 HIS 7 4.914 1.202 9.872 58 HE1 HIS 7 HE1 HIS 7 4.704 1.268 14.109 59 HE2 HIS 7 HE2 HIS 7 5.849 0.275 12.097 60 H ASP 8 H ASP 8 0.472 4.609 10.746 61 HA ASP 8 HA ASP 8 -1.670 4.729 8.821 62 1HB ASP 8 1HB ASP 8 -0.759 6.363 11.118 63 2HB ASP 8 2HB ASP 8 -1.598 7.236 9.838 64 H PHE 9 H PHE 9 -0.558 4.619 6.784 65 HA PHE 9 HA PHE 9 1.451 6.630 6.288 66 1HB PHE 9 1HB PHE 9 1.970 4.757 5.020 67 2HB PHE 9 2HB PHE 9 0.282 4.398 4.694 68 HD1 PHE 9 HD1 PHE 9 -0.032 4.328 2.415 69 HD2 PHE 9 HD2 PHE 9 2.346 7.437 4.059 70 HE1 PHE 9 HE1 PHE 9 0.154 5.324 0.191 71 HE2 PHE 9 HE2 PHE 9 2.532 8.465 1.827 72 HZ PHE 9 HZ PHE 9 1.430 7.410 -0.112 73 H SER 10 H SER 10 1.138 8.564 5.500 74 HA SER 10 HA SER 10 -1.364 9.201 4.069 75 1HB SER 10 1HB SER 10 0.243 11.170 5.733 76 2HB SER 10 2HB SER 10 -1.367 11.404 5.055 77 HG SER 10 HG SER 10 -0.572 9.866 7.268 78 H ALA 11 H ALA 11 -1.142 9.857 2.112 79 HA ALA 11 HA ALA 11 1.155 9.616 0.637 80 1HB ALA 11 1HB ALA 11 -1.339 11.204 0.139 81 2HB ALA 11 2HB ALA 11 -0.934 9.590 -0.442 82 3HB ALA 11 3HB ALA 11 -0.071 10.993 -1.066 83 H THR 12 H THR 12 2.756 10.799 0.003 84 HA THR 12 HA THR 12 2.975 13.535 1.032 85 HB THR 12 HB THR 12 4.970 11.299 0.699 86 HG1 THR 12 HG1 THR 12 4.793 13.232 2.753 87 1HG2 THR 12 1HG2 THR 12 6.491 12.695 -0.182 88 2HG2 THR 12 2HG2 THR 12 6.597 13.314 1.466 89 3HG2 THR 12 3HG2 THR 12 5.601 14.145 0.279 90 H ALA 13 H ALA 13 1.967 12.183 -1.577 91 HA ALA 13 HA ALA 13 2.753 14.412 -3.252 92 1HB ALA 13 1HB ALA 13 4.436 13.180 -4.148 93 2HB ALA 13 2HB ALA 13 3.119 12.459 -5.072 94 3HB ALA 13 3HB ALA 13 3.730 11.651 -3.631 95 H ASP 14 H ASP 14 1.503 14.411 -5.259 96 HA ASP 14 HA ASP 14 -1.226 14.087 -4.723 97 1HB ASP 14 1HB ASP 14 -0.067 14.418 -7.486 98 2HB ASP 14 2HB ASP 14 -1.639 14.951 -6.900 99 H ASP 15 H ASP 15 1.027 12.003 -6.337 100 HA ASP 15 HA ASP 15 -1.095 10.343 -7.415 101 1HB ASP 15 1HB ASP 15 1.772 9.587 -7.640 102 2HB ASP 15 2HB ASP 15 0.468 9.421 -8.808 103 H GLU 16 H GLU 16 -0.274 10.488 -4.441 104 HA GLU 16 HA GLU 16 0.248 7.627 -3.979 105 1HB GLU 16 1HB GLU 16 1.147 10.095 -2.689 106 2HB GLU 16 2HB GLU 16 0.623 8.844 -1.570 107 1HG GLU 16 1HG GLU 16 2.745 8.162 -1.744 108 2HG GLU 16 2HG GLU 16 2.163 7.392 -3.207 109 H LEU 17 H LEU 17 -0.656 6.770 -1.954 110 HA LEU 17 HA LEU 17 -3.429 7.707 -1.599 111 1HB LEU 17 1HB LEU 17 -2.497 5.238 -2.481 112 2HB LEU 17 2HB LEU 17 -2.993 4.952 -0.827 113 HG LEU 17 HG LEU 17 -4.716 6.099 -3.026 114 1HD1 LEU 17 1HD1 LEU 17 -5.891 4.027 -2.986 115 2HD1 LEU 17 2HD1 LEU 17 -4.949 3.459 -1.608 116 3HD1 LEU 17 3HD1 LEU 17 -4.176 3.667 -3.175 117 1HD2 LEU 17 1HD2 LEU 17 -6.463 5.478 -1.124 118 2HD2 LEU 17 2HD2 LEU 17 -5.710 7.066 -1.228 119 3HD2 LEU 17 3HD2 LEU 17 -5.090 5.868 -0.102 120 H SER 18 H SER 18 -3.987 5.962 0.693 121 HA SER 18 HA SER 18 -2.059 6.599 2.719 122 1HB SER 18 1HB SER 18 -3.747 7.776 4.135 123 2HB SER 18 2HB SER 18 -3.276 8.697 2.707 124 HG SER 18 HG SER 18 -5.594 7.066 2.874 125 H PHE 19 H PHE 19 -2.537 5.474 4.716 126 HA PHE 19 HA PHE 19 -4.861 3.812 4.927 127 1HB PHE 19 1HB PHE 19 -3.661 1.643 4.813 128 2HB PHE 19 2HB PHE 19 -3.675 2.499 3.275 129 HD1 PHE 19 HD1 PHE 19 -1.515 2.356 6.327 130 HD2 PHE 19 HD2 PHE 19 -1.729 2.415 2.081 131 HE1 PHE 19 HE1 PHE 19 0.931 2.176 6.211 132 HE2 PHE 19 HE2 PHE 19 0.718 2.231 1.964 133 HZ PHE 19 HZ PHE 19 2.053 2.122 4.022 134 H ARG 20 H ARG 20 -4.738 2.320 6.848 135 HA ARG 20 HA ARG 20 -2.959 3.443 8.909 136 1HB ARG 20 1HB ARG 20 -4.776 3.293 10.519 137 2HB ARG 20 2HB ARG 20 -5.248 4.296 9.153 138 1HG ARG 20 1HG ARG 20 -6.058 1.715 8.472 139 2HG ARG 20 2HG ARG 20 -6.466 1.896 10.180 140 1HD ARG 20 1HD ARG 20 -8.360 2.722 9.153 141 2HD ARG 20 2HD ARG 20 -7.427 4.193 9.427 142 HE ARG 20 HE ARG 20 -7.085 2.903 6.845 143 1HH1 ARG 20 1HH1 ARG 20 -8.672 5.410 8.692 144 2HH1 ARG 20 2HH1 ARG 20 -9.070 6.353 7.296 145 1HH2 ARG 20 1HH2 ARG 20 -7.614 4.145 5.015 146 2HH2 ARG 20 2HH2 ARG 20 -8.472 5.636 5.211 147 H LYS 21 H LYS 21 -2.544 2.079 10.751 148 HA LYS 21 HA LYS 21 -1.685 -0.492 10.119 149 1HB LYS 21 1HB LYS 21 -1.532 -0.799 12.623 150 2HB LYS 21 2HB LYS 21 -0.664 0.573 11.950 151 1HG LYS 21 1HG LYS 21 -3.008 1.753 12.547 152 2HG LYS 21 2HG LYS 21 -2.963 0.501 13.787 153 1HD LYS 21 1HD LYS 21 -0.453 1.995 13.379 154 2HD LYS 21 2HD LYS 21 -1.798 2.923 14.045 155 1HE LYS 21 1HE LYS 21 -2.075 1.140 15.769 156 2HE LYS 21 2HE LYS 21 -0.603 0.389 15.156 157 1HZ LYS 21 1HZ LYS 21 -0.571 2.091 17.147 158 2HZ LYS 21 2HZ LYS 21 -0.478 3.216 15.888 159 3HZ LYS 21 3HZ LYS 21 0.699 2.010 16.032 160 H GLY 22 H GLY 22 -2.567 -2.449 10.125 161 1HA GLY 22 1HA GLY 22 -4.023 -4.134 10.920 162 2HA GLY 22 2HA GLY 22 -5.126 -2.886 11.476 163 H GLN 23 H GLN 23 -4.766 -1.574 8.679 164 HA GLN 23 HA GLN 23 -7.035 -2.924 7.552 165 1HB GLN 23 1HB GLN 23 -6.227 -0.349 7.462 166 2HB GLN 23 2HB GLN 23 -5.644 -0.913 5.903 167 1HG GLN 23 1HG GLN 23 -7.772 -0.076 5.475 168 2HG GLN 23 2HG GLN 23 -7.989 -1.824 5.537 169 1HE2 GLN 23 1HE2 GLN 23 -8.676 1.205 7.042 170 2HE2 GLN 23 2HE2 GLN 23 -9.814 0.614 8.200 171 H ILE 24 H ILE 24 -7.198 -3.620 5.281 172 HA ILE 24 HA ILE 24 -4.678 -4.859 4.407 173 HB ILE 24 HB ILE 24 -6.230 -6.403 3.072 174 1HG1 ILE 24 1HG1 ILE 24 -8.267 -4.950 3.562 175 2HG1 ILE 24 2HG1 ILE 24 -8.466 -6.683 3.777 176 1HG2 ILE 24 1HG2 ILE 24 -6.686 -7.115 5.859 177 2HG2 ILE 24 2HG2 ILE 24 -5.036 -6.601 5.527 178 3HG2 ILE 24 3HG2 ILE 24 -5.743 -7.930 4.613 179 1HD1 ILE 24 1HD1 ILE 24 -7.821 -4.898 6.094 180 2HD1 ILE 24 2HD1 ILE 24 -8.522 -6.506 6.101 181 3HD1 ILE 24 3HD1 ILE 24 -9.470 -5.134 5.530 182 H LEU 25 H LEU 25 -3.758 -3.815 2.827 183 HA LEU 25 HA LEU 25 -5.340 -2.361 0.842 184 1HB LEU 25 1HB LEU 25 -2.341 -2.471 0.990 185 2HB LEU 25 2HB LEU 25 -3.351 -1.224 0.286 186 HG LEU 25 HG LEU 25 -3.559 -1.694 3.220 187 1HD1 LEU 25 1HD1 LEU 25 -1.201 -1.679 3.034 188 2HD1 LEU 25 2HD1 LEU 25 -1.668 -0.043 3.501 189 3HD1 LEU 25 3HD1 LEU 25 -1.232 -0.393 1.828 190 1HD2 LEU 25 1HD2 LEU 25 -4.825 -0.000 1.637 191 2HD2 LEU 25 2HD2 LEU 25 -3.369 0.960 1.895 192 3HD2 LEU 25 3HD2 LEU 25 -4.344 0.449 3.273 193 H LYS 26 H LYS 26 -5.355 -2.891 -1.352 194 HA LYS 26 HA LYS 26 -4.225 -5.499 -2.043 195 1HB LYS 26 1HB LYS 26 -6.614 -4.060 -2.780 196 2HB LYS 26 2HB LYS 26 -5.707 -4.492 -4.222 197 1HG LYS 26 1HG LYS 26 -6.736 -6.455 -4.097 198 2HG LYS 26 2HG LYS 26 -5.647 -6.811 -2.756 199 1HD LYS 26 1HD LYS 26 -7.314 -6.749 -1.266 200 2HD LYS 26 2HD LYS 26 -7.946 -5.238 -1.923 201 1HE LYS 26 1HE LYS 26 -9.700 -6.537 -2.491 202 2HE LYS 26 2HE LYS 26 -8.682 -6.939 -3.873 203 1HZ LYS 26 1HZ LYS 26 -9.752 -8.809 -2.452 204 2HZ LYS 26 2HZ LYS 26 -8.449 -8.526 -1.412 205 3HZ LYS 26 3HZ LYS 26 -8.167 -8.985 -3.016 206 H ILE 27 H ILE 27 -2.391 -5.628 -3.159 207 HA ILE 27 HA ILE 27 -1.274 -3.255 -4.406 208 HB ILE 27 HB ILE 27 -0.198 -6.022 -3.889 209 1HG1 ILE 27 1HG1 ILE 27 1.496 -4.656 -2.605 210 2HG1 ILE 27 2HG1 ILE 27 0.483 -3.251 -2.905 211 1HG2 ILE 27 1HG2 ILE 27 1.845 -5.524 -4.953 212 2HG2 ILE 27 2HG2 ILE 27 1.395 -3.839 -5.208 213 3HG2 ILE 27 3HG2 ILE 27 0.594 -5.115 -6.124 214 1HD1 ILE 27 1HD1 ILE 27 -0.954 -5.524 -1.775 215 2HD1 ILE 27 2HD1 ILE 27 -0.959 -3.821 -1.308 216 3HD1 ILE 27 3HD1 ILE 27 0.329 -4.883 -0.762 217 H LEU 28 H LEU 28 -0.845 -2.998 -6.542 218 HA LEU 28 HA LEU 28 -1.995 -4.952 -8.446 219 1HB LEU 28 1HB LEU 28 -1.956 -2.132 -9.288 220 2HB LEU 28 2HB LEU 28 -3.155 -3.376 -9.569 221 HG LEU 28 HG LEU 28 -3.084 -2.463 -6.787 222 1HD1 LEU 28 1HD1 LEU 28 -2.479 -0.398 -8.190 223 2HD1 LEU 28 2HD1 LEU 28 -3.827 -0.276 -7.059 224 3HD1 LEU 28 3HD1 LEU 28 -4.137 -0.493 -8.782 225 1HD2 LEU 28 1HD2 LEU 28 -5.043 -3.501 -7.059 226 2HD2 LEU 28 2HD2 LEU 28 -4.978 -3.354 -8.815 227 3HD2 LEU 28 3HD2 LEU 28 -5.584 -2.016 -7.840 228 H ASN 29 H ASN 29 0.353 -2.418 -7.825 229 HA ASN 29 HA ASN 29 2.245 -3.680 -9.635 230 1HB ASN 29 1HB ASN 29 2.766 -1.317 -10.569 231 2HB ASN 29 2HB ASN 29 1.473 -2.281 -11.264 232 1HD2 ASN 29 1HD2 ASN 29 1.888 0.580 -11.331 233 2HD2 ASN 29 2HD2 ASN 29 0.477 1.291 -10.631 234 H MET 30 H MET 30 4.359 -3.408 -8.925 235 HA MET 30 HA MET 30 4.688 -2.020 -6.387 236 1HB MET 30 1HB MET 30 6.000 -3.756 -5.910 237 2HB MET 30 2HB MET 30 5.704 -4.401 -7.512 238 1HG MET 30 1HG MET 30 7.680 -3.327 -8.365 239 2HG MET 30 2HG MET 30 7.938 -2.499 -6.831 240 1HE MET 30 1HE MET 30 7.468 -5.658 -8.647 241 2HE MET 30 2HE MET 30 7.373 -6.788 -7.298 242 3HE MET 30 3HE MET 30 8.877 -6.621 -8.204 243 H GLU 31 H GLU 31 4.908 -1.109 -9.490 244 HA GLU 31 HA GLU 31 5.619 0.792 -10.449 245 1HB GLU 31 1HB GLU 31 5.525 1.840 -8.220 246 2HB GLU 31 2HB GLU 31 7.179 1.333 -7.917 247 1HG GLU 31 1HG GLU 31 8.057 2.948 -9.250 248 2HG GLU 31 2HG GLU 31 6.705 2.912 -10.377 249 H ASP 32 H ASP 32 8.509 1.541 -9.468 250 HA ASP 32 HA ASP 32 9.850 -0.288 -11.223 251 1HB ASP 32 1HB ASP 32 10.571 2.588 -10.749 252 2HB ASP 32 2HB ASP 32 11.623 1.442 -11.574 253 H ASP 33 H ASP 33 9.362 -0.338 -8.247 254 HA ASP 33 HA ASP 33 10.372 -1.544 -6.582 255 1HB ASP 33 1HB ASP 33 11.988 -2.318 -8.564 256 2HB ASP 33 2HB ASP 33 13.116 -1.239 -7.759 257 H SER 34 H SER 34 13.432 -0.173 -6.658 258 HA SER 34 HA SER 34 14.431 1.162 -5.121 259 1HB SER 34 1HB SER 34 12.594 2.875 -6.736 260 2HB SER 34 2HB SER 34 13.450 3.612 -5.382 261 HG SER 34 HG SER 34 14.748 2.090 -7.388 262 H ASN 35 H ASN 35 11.520 3.135 -4.669 263 HA ASN 35 HA ASN 35 11.289 2.090 -1.879 264 1HB ASN 35 1HB ASN 35 12.460 4.471 -2.758 265 2HB ASN 35 2HB ASN 35 10.912 4.907 -2.041 266 1HD2 ASN 35 1HD2 ASN 35 12.810 5.902 -0.681 267 2HD2 ASN 35 2HD2 ASN 35 13.215 4.995 0.732 268 H TRP 36 H TRP 36 9.577 3.395 -4.658 269 HA TRP 36 HA TRP 36 7.192 3.665 -2.957 270 1HB TRP 36 1HB TRP 36 7.830 4.830 -5.673 271 2HB TRP 36 2HB TRP 36 6.277 5.011 -4.858 272 HD1 TRP 36 HD1 TRP 36 9.523 6.704 -5.208 273 HE1 TRP 36 HE1 TRP 36 9.811 8.525 -3.411 274 HE3 TRP 36 HE3 TRP 36 5.672 5.412 -2.110 275 HZ2 TRP 36 HZ2 TRP 36 8.569 9.310 -0.999 276 HZ3 TRP 36 HZ3 TRP 36 5.289 6.745 -0.078 277 HH2 TRP 36 HH2 TRP 36 6.708 8.654 0.466 278 H TYR 37 H TYR 37 5.413 2.437 -3.310 279 HA TYR 37 HA TYR 37 5.425 0.605 -5.627 280 1HB TYR 37 1HB TYR 37 4.792 0.142 -2.739 281 2HB TYR 37 2HB TYR 37 3.959 -0.815 -3.951 282 HD1 TYR 37 HD1 TYR 37 4.928 -2.831 -2.935 283 HD2 TYR 37 HD2 TYR 37 7.412 0.181 -4.609 284 HE1 TYR 37 HE1 TYR 37 6.818 -4.401 -2.951 285 HE2 TYR 37 HE2 TYR 37 9.306 -1.374 -4.636 286 HH TYR 37 HH TYR 37 9.477 -4.084 -2.905 287 H ARG 38 H ARG 38 3.117 -0.211 -6.119 288 HA ARG 38 HA ARG 38 1.230 2.021 -5.722 289 1HB ARG 38 1HB ARG 38 1.097 0.226 -8.097 290 2HB ARG 38 2HB ARG 38 0.437 1.838 -7.909 291 1HG ARG 38 1HG ARG 38 3.336 1.778 -7.690 292 2HG ARG 38 2HG ARG 38 2.753 1.154 -9.234 293 1HD ARG 38 1HD ARG 38 1.765 3.742 -8.079 294 2HD ARG 38 2HD ARG 38 3.216 3.661 -9.070 295 HE ARG 38 HE ARG 38 0.466 3.155 -9.950 296 1HH1 ARG 38 1HH1 ARG 38 3.857 3.483 -10.735 297 2HH1 ARG 38 2HH1 ARG 38 3.571 3.638 -12.434 298 1HH2 ARG 38 1HH2 ARG 38 0.100 3.356 -12.188 299 2HH2 ARG 38 2HH2 ARG 38 1.444 3.567 -13.259 300 H ALA 39 H ALA 39 -0.646 1.576 -4.780 301 HA ALA 39 HA ALA 39 -1.746 -1.126 -5.019 302 1HB ALA 39 1HB ALA 39 -1.700 0.202 -2.332 303 2HB ALA 39 2HB ALA 39 -0.393 -0.852 -2.872 304 3HB ALA 39 3HB ALA 39 -2.034 -1.483 -2.729 305 H GLU 40 H GLU 40 -3.987 -1.260 -4.139 306 HA GLU 40 HA GLU 40 -5.470 1.229 -4.695 307 1HB GLU 40 1HB GLU 40 -5.660 -1.196 -6.007 308 2HB GLU 40 2HB GLU 40 -6.976 -1.287 -4.845 309 1HG GLU 40 1HG GLU 40 -7.344 1.194 -5.826 310 2HG GLU 40 2HG GLU 40 -6.676 0.385 -7.237 311 H LEU 41 H LEU 41 -7.019 1.889 -3.238 312 HA LEU 41 HA LEU 41 -7.757 0.118 -1.039 313 1HB LEU 41 1HB LEU 41 -5.996 1.214 0.020 314 2HB LEU 41 2HB LEU 41 -6.286 2.710 -0.831 315 HG LEU 41 HG LEU 41 -8.560 2.257 0.799 316 1HD1 LEU 41 1HD1 LEU 41 -7.578 2.136 3.016 317 2HD1 LEU 41 2HD1 LEU 41 -5.969 1.968 2.315 318 3HD1 LEU 41 3HD1 LEU 41 -7.168 0.695 2.085 319 1HD2 LEU 41 1HD2 LEU 41 -6.764 4.185 1.915 320 2HD2 LEU 41 2HD2 LEU 41 -8.255 4.449 1.011 321 3HD2 LEU 41 3HD2 LEU 41 -6.724 4.295 0.160 322 H ASP 42 H ASP 42 -9.860 0.199 -0.723 323 HA ASP 42 HA ASP 42 -12.052 0.722 -0.959 324 1HB ASP 42 1HB ASP 42 -11.146 2.633 0.542 325 2HB ASP 42 2HB ASP 42 -11.356 3.638 -0.889 326 H GLY 43 H GLY 43 -10.690 0.293 -3.381 327 1HA GLY 43 1HA GLY 43 -11.243 0.390 -5.628 328 2HA GLY 43 2HA GLY 43 -12.563 1.469 -5.206 329 H LYS 44 H LYS 44 -9.506 2.440 -4.062 330 HA LYS 44 HA LYS 44 -9.232 4.396 -6.257 331 1HB LYS 44 1HB LYS 44 -8.756 4.645 -3.287 332 2HB LYS 44 2HB LYS 44 -8.124 5.804 -4.441 333 1HG LYS 44 1HG LYS 44 -10.991 5.230 -3.762 334 2HG LYS 44 2HG LYS 44 -10.093 6.729 -3.564 335 1HD LYS 44 1HD LYS 44 -10.420 5.591 -6.306 336 2HD LYS 44 2HD LYS 44 -11.781 6.414 -5.560 337 1HE LYS 44 1HE LYS 44 -9.090 7.510 -6.298 338 2HE LYS 44 2HE LYS 44 -10.686 8.074 -6.787 339 1HZ LYS 44 1HZ LYS 44 -10.628 9.504 -5.120 340 2HZ LYS 44 2HZ LYS 44 -9.129 8.915 -4.609 341 3HZ LYS 44 3HZ LYS 44 -10.553 8.239 -4.006 342 H GLU 45 H GLU 45 -7.155 4.683 -7.092 343 HA GLU 45 HA GLU 45 -5.120 2.847 -6.020 344 1HB GLU 45 1HB GLU 45 -4.019 2.974 -8.231 345 2HB GLU 45 2HB GLU 45 -5.660 2.357 -8.350 346 1HG GLU 45 1HG GLU 45 -6.459 4.346 -9.293 347 2HG GLU 45 2HG GLU 45 -5.024 5.249 -8.811 348 H GLY 46 H GLY 46 -3.055 3.505 -5.714 349 1HA GLY 46 1HA GLY 46 -2.040 6.108 -6.094 350 2HA GLY 46 2HA GLY 46 -2.780 6.003 -4.503 351 H LEU 47 H LEU 47 -0.006 6.377 -5.305 352 HA LEU 47 HA LEU 47 1.521 4.053 -4.731 353 1HB LEU 47 1HB LEU 47 2.060 6.969 -4.975 354 2HB LEU 47 2HB LEU 47 3.272 5.956 -4.212 355 HG LEU 47 HG LEU 47 2.207 5.109 -6.855 356 1HD1 LEU 47 1HD1 LEU 47 3.863 6.526 -7.999 357 2HD1 LEU 47 2HD1 LEU 47 4.188 7.348 -6.472 358 3HD1 LEU 47 3HD1 LEU 47 2.594 7.469 -7.217 359 1HD2 LEU 47 1HD2 LEU 47 3.973 3.753 -6.805 360 2HD2 LEU 47 2HD2 LEU 47 4.204 4.254 -5.128 361 3HD2 LEU 47 3HD2 LEU 47 5.061 5.084 -6.419 362 H ILE 48 H ILE 48 2.764 3.607 -2.903 363 HA ILE 48 HA ILE 48 2.078 5.015 -0.440 364 HB ILE 48 HB ILE 48 1.407 3.231 0.790 365 1HG1 ILE 48 1HG1 ILE 48 3.407 1.854 0.536 366 2HG1 ILE 48 2HG1 ILE 48 1.953 0.875 0.388 367 1HG2 ILE 48 1HG2 ILE 48 -0.418 3.134 -0.507 368 2HG2 ILE 48 2HG2 ILE 48 0.209 1.536 -0.907 369 3HG2 ILE 48 3HG2 ILE 48 0.505 2.893 -1.990 370 1HD1 ILE 48 1HD1 ILE 48 3.728 0.299 -1.212 371 2HD1 ILE 48 2HD1 ILE 48 3.531 1.887 -1.948 372 3HD1 ILE 48 3HD1 ILE 48 2.198 0.734 -1.969 373 HA PRO 49 HA PRO 49 6.388 4.777 0.146 374 1HB PRO 49 1HB PRO 49 6.670 5.106 2.852 375 2HB PRO 49 2HB PRO 49 6.183 6.421 1.779 376 1HG PRO 49 1HG PRO 49 4.549 4.783 3.628 377 2HG PRO 49 2HG PRO 49 4.319 6.459 3.111 378 1HD PRO 49 1HD PRO 49 2.928 4.228 2.142 379 2HD PRO 49 2HD PRO 49 2.996 5.819 1.398 380 H SER 50 H SER 50 7.562 2.993 -0.093 381 HA SER 50 HA SER 50 6.835 0.439 0.721 382 1HB SER 50 1HB SER 50 8.452 1.074 -1.117 383 2HB SER 50 2HB SER 50 9.683 1.208 0.140 384 HG SER 50 HG SER 50 8.203 -1.120 0.207 385 H ASN 51 H ASN 51 7.319 2.397 2.946 386 HA ASN 51 HA ASN 51 8.969 0.653 4.645 387 1HB ASN 51 1HB ASN 51 9.732 3.139 4.143 388 2HB ASN 51 2HB ASN 51 8.597 3.501 5.439 389 1HD2 ASN 51 1HD2 ASN 51 8.874 2.086 7.415 390 2HD2 ASN 51 2HD2 ASN 51 10.498 1.799 7.932 391 H TYR 52 H TYR 52 5.955 2.258 4.247 392 HA TYR 52 HA TYR 52 5.136 1.717 6.999 393 1HB TYR 52 1HB TYR 52 4.207 3.470 4.820 394 2HB TYR 52 2HB TYR 52 2.950 2.810 5.856 395 HD1 TYR 52 HD1 TYR 52 6.373 3.684 6.980 396 HD2 TYR 52 HD2 TYR 52 2.277 4.819 6.911 397 HE1 TYR 52 HE1 TYR 52 6.831 5.431 8.653 398 HE2 TYR 52 HE2 TYR 52 2.720 6.570 8.574 399 HH TYR 52 HH TYR 52 5.729 6.780 10.259 400 H ILE 53 H ILE 53 5.306 -0.230 4.400 401 HA ILE 53 HA ILE 53 2.720 -1.493 5.042 402 HB ILE 53 HB ILE 53 2.610 -2.324 2.727 403 1HG1 ILE 53 1HG1 ILE 53 4.795 -0.365 2.046 404 2HG1 ILE 53 2HG1 ILE 53 5.149 -2.054 2.399 405 1HG2 ILE 53 1HG2 ILE 53 1.299 -0.569 2.402 406 2HG2 ILE 53 2HG2 ILE 53 2.706 0.404 1.979 407 3HG2 ILE 53 3HG2 ILE 53 2.175 0.309 3.650 408 1HD1 ILE 53 1HD1 ILE 53 3.641 -2.714 0.564 409 2HD1 ILE 53 2HD1 ILE 53 5.003 -1.733 0.024 410 3HD1 ILE 53 3HD1 ILE 53 3.404 -1.008 0.185 411 H GLU 54 H GLU 54 2.611 -3.803 4.495 412 HA GLU 54 HA GLU 54 5.188 -5.205 4.693 413 1HB GLU 54 1HB GLU 54 4.342 -5.048 6.955 414 2HB GLU 54 2HB GLU 54 2.781 -5.659 6.468 415 1HG GLU 54 1HG GLU 54 3.930 -7.400 7.569 416 2HG GLU 54 2HG GLU 54 3.923 -7.789 5.850 417 H MET 55 H MET 55 5.276 -6.445 2.947 418 HA MET 55 HA MET 55 3.165 -7.175 1.308 419 1HB MET 55 1HB MET 55 5.867 -7.399 1.157 420 2HB MET 55 2HB MET 55 5.414 -9.083 1.386 421 1HG MET 55 1HG MET 55 5.413 -8.895 -0.901 422 2HG MET 55 2HG MET 55 3.715 -8.620 -0.515 423 1HE MET 55 1HE MET 55 2.898 -7.729 -2.225 424 2HE MET 55 2HE MET 55 3.674 -6.645 -3.378 425 3HE MET 55 3HE MET 55 2.651 -5.989 -2.102 426 H LYS 56 H LYS 56 1.569 -8.575 1.495 427 HA LYS 56 HA LYS 56 1.805 -10.698 3.511 428 1HB LYS 56 1HB LYS 56 0.093 -8.959 3.929 429 2HB LYS 56 2HB LYS 56 -0.703 -9.398 2.430 430 1HG LYS 56 1HG LYS 56 -1.345 -11.502 3.271 431 2HG LYS 56 2HG LYS 56 -0.252 -11.362 4.648 432 1HD LYS 56 1HD LYS 56 -1.636 -9.327 5.311 433 2HD LYS 56 2HD LYS 56 -2.826 -9.895 4.142 434 1HE LYS 56 1HE LYS 56 -3.334 -10.645 6.422 435 2HE LYS 56 2HE LYS 56 -3.017 -11.998 5.336 436 1HZ LYS 56 1HZ LYS 56 -1.101 -10.844 7.292 437 2HZ LYS 56 2HZ LYS 56 -0.760 -12.114 6.230 438 3HZ LYS 56 3HZ LYS 56 -1.914 -12.320 7.446 439 H ASN 57 H ASN 57 -0.897 -10.870 1.400 440 HA ASN 57 HA ASN 57 -1.476 -12.220 -0.334 441 1HB ASN 57 1HB ASN 57 0.850 -11.566 -1.242 442 2HB ASN 57 2HB ASN 57 1.368 -13.145 -0.658 443 1HD2 ASN 57 1HD2 ASN 57 1.733 -14.109 -2.593 444 2HD2 ASN 57 2HD2 ASN 57 0.504 -14.420 -3.766 445 H HIS 58 H HIS 58 0.959 -13.660 1.877 446 HA HIS 58 HA HIS 58 1.058 -15.591 2.935 447 1HB HIS 58 1HB HIS 58 -0.924 -14.599 3.960 448 2HB HIS 58 2HB HIS 58 -1.947 -15.413 2.785 449 HD1 HIS 58 HD1 HIS 58 0.941 -17.090 4.537 450 HD2 HIS 58 HD2 HIS 58 -3.214 -17.065 4.594 451 HE1 HIS 58 HE1 HIS 58 0.276 -19.010 6.022 452 HE2 HIS 58 HE2 HIS 58 -2.243 -18.985 6.031 453 H ASP 59 H ASP 59 -1.858 -17.038 1.854 454 HA ASP 59 HA ASP 59 -2.299 -18.880 0.603 455 1HB ASP 59 1HB ASP 59 -0.893 -17.181 -1.072 456 2HB ASP 59 2HB ASP 59 -0.025 -18.704 -1.224
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