NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
464498 | 2kvz | 16801 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 26.896 6.913 -0.846 2 H2 MET 1 2H MET 1 26.818 8.506 -1.427 3 H3 MET 1 3H MET 1 27.732 7.344 -2.258 4 HA MET 1 HA MET 1 25.659 7.772 -3.392 5 HB2 MET 1 1HB MET 1 25.773 5.060 -2.055 6 HB3 MET 1 2HB MET 1 24.829 5.441 -3.488 7 HG2 MET 1 1HG MET 1 26.837 5.889 -4.742 8 HG3 MET 1 2HG MET 1 27.824 5.644 -3.303 9 HE1 MET 1 3HE MET 1 25.419 2.277 -5.353 10 HE2 MET 1 1HE MET 1 25.465 3.937 -5.946 11 HE3 MET 1 2HE MET 1 24.667 3.569 -4.417 12 H ASP 2 H ASP 2 24.239 9.241 -2.486 13 HA ASP 2 HA ASP 2 22.095 8.015 -0.906 14 HB2 ASP 2 1HB ASP 2 21.946 9.875 0.611 15 HB3 ASP 2 2HB ASP 2 23.606 9.296 0.632 16 H PHE 3 H PHE 3 22.760 9.123 -3.718 17 HA PHE 3 HA PHE 3 20.524 10.999 -3.982 18 HB2 PHE 3 1HB PHE 3 22.709 11.667 -4.962 19 HB3 PHE 3 2HB PHE 3 22.655 10.249 -6.002 20 HD1 PHE 3 HD2 PHE 3 21.109 13.510 -5.292 21 HD2 PHE 3 HD1 PHE 3 21.325 10.216 -7.978 22 HE1 PHE 3 HE2 PHE 3 19.873 14.807 -6.976 23 HE2 PHE 3 HE1 PHE 3 20.088 11.508 -9.666 24 HZ PHE 3 HZ PHE 3 19.359 13.806 -9.167 25 H GLY 4 H GLY 4 18.760 10.548 -5.268 26 HA2 GLY 4 1HA GLY 4 17.326 9.309 -6.586 27 HA3 GLY 4 2HA GLY 4 18.669 8.245 -6.978 28 H LYS 5 H LYS 5 17.930 8.832 -3.663 29 HA LYS 5 HA LYS 5 16.688 6.171 -3.484 30 HB2 LYS 5 1HB LYS 5 18.642 7.433 -1.552 31 HB3 LYS 5 2HB LYS 5 17.803 5.910 -1.286 32 HG2 LYS 5 1HG LYS 5 18.906 4.961 -3.251 33 HG3 LYS 5 2HG LYS 5 19.758 6.485 -3.503 34 HD2 LYS 5 1HD LYS 5 21.193 4.879 -2.369 35 HD3 LYS 5 2HD LYS 5 20.827 6.241 -1.308 36 HE2 LYS 5 1HE LYS 5 19.118 4.916 -0.179 37 HE3 LYS 5 2HE LYS 5 19.442 3.560 -1.260 38 HZ1 LYS 5 3HZ LYS 5 21.419 4.757 0.606 39 HZ2 LYS 5 1HZ LYS 5 21.661 3.393 -0.377 40 HZ3 LYS 5 2HZ LYS 5 20.544 3.335 0.901 41 HA PRO 6 HA PRO 6 13.652 8.909 -1.524 42 HB2 PRO 6 1HB PRO 6 11.632 7.088 -2.445 43 HB3 PRO 6 2HB PRO 6 11.973 8.717 -3.028 44 HG2 PRO 6 1HG PRO 6 12.367 6.419 -4.495 45 HG3 PRO 6 2HG PRO 6 13.198 7.955 -4.791 46 HD2 PRO 6 1HD PRO 6 14.170 5.516 -3.356 47 HD3 PRO 6 2HD PRO 6 15.048 6.613 -4.444 48 H ASN 7 H ASN 7 12.515 8.667 0.371 49 HA ASN 7 HA ASN 7 12.821 6.091 1.740 50 HB2 ASN 7 1HB ASN 7 12.492 7.293 3.808 51 HB3 ASN 7 2HB ASN 7 13.679 8.168 2.851 52 HD21 ASN 7 2HD2 ASN 7 11.867 9.032 5.014 53 HD22 ASN 7 1HD2 ASN 7 10.980 10.366 4.370 54 H GLN 8 H GLN 8 10.751 6.896 -0.304 55 HA GLN 8 HA GLN 8 8.289 7.115 1.176 56 HB2 GLN 8 1HB GLN 8 8.803 6.775 -1.779 57 HB3 GLN 8 2HB GLN 8 7.224 7.055 -1.060 58 HG2 GLN 8 1HG GLN 8 8.026 9.212 -0.194 59 HG3 GLN 8 2HG GLN 8 9.573 8.932 -0.997 60 HE21 GLN 8 2HE2 GLN 8 7.571 11.038 -1.390 61 HE22 GLN 8 1HE2 GLN 8 7.112 10.964 -3.062 62 H VAL 9 H VAL 9 6.640 5.626 1.255 63 HA VAL 9 HA VAL 9 7.445 2.844 0.784 64 HB VAL 9 HB VAL 9 5.135 3.933 2.410 65 HG11 VAL 9 1HG1 VAL 9 6.176 1.117 2.120 66 HG12 VAL 9 2HG1 VAL 9 4.642 1.732 1.504 67 HG13 VAL 9 3HG1 VAL 9 4.917 1.635 3.243 68 HG21 VAL 9 3HG2 VAL 9 7.291 4.442 3.425 69 HG22 VAL 9 1HG2 VAL 9 7.767 2.749 3.291 70 HG23 VAL 9 2HG2 VAL 9 6.440 3.210 4.357 71 H THR 10 H THR 10 6.543 1.690 -0.796 72 HA THR 10 HA THR 10 4.547 2.980 -2.479 73 HB THR 10 HB THR 10 5.956 0.339 -2.928 74 HG1 THR 10 HG1 THR 10 7.057 2.698 -2.827 75 HG21 THR 10 3HG2 THR 10 3.942 0.666 -4.289 76 HG22 THR 10 1HG2 THR 10 5.395 0.745 -5.285 77 HG23 THR 10 2HG2 THR 10 4.556 2.228 -4.831 78 H VAL 11 H VAL 11 2.563 2.778 -1.655 79 HA VAL 11 HA VAL 11 1.668 0.233 -0.534 80 HB VAL 11 HB VAL 11 0.228 2.888 -0.758 81 HG11 VAL 11 1HG1 VAL 11 -1.331 1.026 -0.667 82 HG12 VAL 11 2HG1 VAL 11 -1.363 1.935 0.844 83 HG13 VAL 11 3HG1 VAL 11 -0.515 0.390 0.761 84 HG21 VAL 11 3HG2 VAL 11 0.652 3.088 1.650 85 HG22 VAL 11 1HG2 VAL 11 2.153 3.023 0.725 86 HG23 VAL 11 2HG2 VAL 11 1.595 1.599 1.603 87 H ASN 12 H ASN 12 0.709 -1.228 -1.788 88 HA ASN 12 HA ASN 12 -0.522 -0.302 -4.299 89 HB2 ASN 12 1HB ASN 12 0.609 -3.030 -3.631 90 HB3 ASN 12 2HB ASN 12 -0.153 -2.592 -5.156 91 HD21 ASN 12 2HD2 ASN 12 2.678 -2.393 -3.212 92 HD22 ASN 12 1HD2 ASN 12 3.693 -1.642 -4.392 93 H TYR 13 H TYR 13 -2.630 -0.491 -4.508 94 HA TYR 13 HA TYR 13 -4.140 -1.976 -2.501 95 HB2 TYR 13 1HB TYR 13 -5.035 -0.033 -4.645 96 HB3 TYR 13 2HB TYR 13 -6.120 -0.835 -3.515 97 HD1 TYR 13 HD1 TYR 13 -3.502 1.724 -3.871 98 HD2 TYR 13 HD2 TYR 13 -6.254 -0.134 -1.212 99 HE1 TYR 13 HE1 TYR 13 -3.160 3.544 -2.252 100 HE2 TYR 13 HE2 TYR 13 -5.919 1.678 0.414 101 HH TYR 13 HH TYR 13 -4.209 3.361 0.972 102 H LEU 14 H LEU 14 -3.945 -4.088 -3.091 103 HA LEU 14 HA LEU 14 -4.202 -4.845 -5.880 104 HB2 LEU 14 1HB LEU 14 -3.701 -6.534 -3.431 105 HB3 LEU 14 2HB LEU 14 -3.634 -7.100 -5.089 106 HG LEU 14 HG LEU 14 -1.798 -5.040 -3.866 107 HD11 LEU 14 1HD1 LEU 14 -0.084 -6.769 -4.088 108 HD12 LEU 14 2HD1 LEU 14 -1.306 -7.904 -4.660 109 HD13 LEU 14 3HD1 LEU 14 -1.386 -7.281 -3.012 110 HD21 LEU 14 3HD2 LEU 14 -2.170 -4.626 -6.235 111 HD22 LEU 14 1HD2 LEU 14 -1.786 -6.307 -6.603 112 HD23 LEU 14 2HD2 LEU 14 -0.540 -5.239 -5.957 113 H ASP 15 H ASP 15 -5.765 -6.070 -6.754 114 HA ASP 15 HA ASP 15 -8.337 -6.104 -5.452 115 HB2 ASP 15 1HB ASP 15 -8.400 -5.521 -7.734 116 HB3 ASP 15 2HB ASP 15 -7.337 -6.843 -8.193 117 H GLU 16 H GLU 16 -6.737 -8.673 -7.271 118 HA GLU 16 HA GLU 16 -6.988 -10.621 -5.200 119 HB2 GLU 16 1HB GLU 16 -9.309 -10.579 -5.682 120 HB3 GLU 16 2HB GLU 16 -9.030 -10.496 -7.414 121 HG2 GLU 16 1HG GLU 16 -8.170 -12.807 -7.347 122 HG3 GLU 16 2HG GLU 16 -8.565 -12.872 -5.629 123 H ASN 17 H ASN 17 -6.853 -10.056 -8.682 124 HA ASN 17 HA ASN 17 -5.185 -12.371 -9.132 125 HB2 ASN 17 1HB ASN 17 -6.021 -10.132 -10.993 126 HB3 ASN 17 2HB ASN 17 -5.127 -11.566 -11.485 127 HD21 ASN 17 2HD2 ASN 17 -8.196 -10.265 -10.621 128 HD22 ASN 17 1HD2 ASN 17 -9.128 -11.678 -10.966 129 H ASN 18 H ASN 18 -4.248 -10.267 -7.325 130 HA ASN 18 HA ASN 18 -2.352 -9.170 -6.751 131 HB2 ASN 18 1HB ASN 18 -1.228 -10.780 -9.046 132 HB3 ASN 18 2HB ASN 18 -0.240 -9.780 -7.986 133 HD21 ASN 18 2HD2 ASN 18 -2.108 -12.687 -8.277 134 HD22 ASN 18 1HD2 ASN 18 -1.612 -13.396 -6.774 135 H THR 19 H THR 19 -4.213 -8.123 -8.851 136 HA THR 19 HA THR 19 -2.425 -6.226 -10.190 137 HB THR 19 HB THR 19 -5.376 -6.660 -10.697 138 HG1 THR 19 HG1 THR 19 -3.057 -7.932 -11.733 139 HG21 THR 19 3HG2 THR 19 -4.472 -4.515 -11.487 140 HG22 THR 19 1HG2 THR 19 -4.893 -5.568 -12.838 141 HG23 THR 19 2HG2 THR 19 -3.205 -5.373 -12.365 142 H SER 20 H SER 20 -2.399 -4.134 -9.601 143 HA SER 20 HA SER 20 -3.950 -3.333 -7.297 144 HB2 SER 20 1HB SER 20 -1.510 -2.725 -7.689 145 HB3 SER 20 2HB SER 20 -2.074 -1.614 -8.936 146 HG SER 20 HG SER 20 -2.660 -0.258 -7.439 147 H ILE 21 H ILE 21 -5.914 -2.492 -7.446 148 HA ILE 21 HA ILE 21 -6.938 -1.622 -10.015 149 HB ILE 21 HB ILE 21 -9.084 -1.285 -8.726 150 HG12 ILE 21 1HG1 ILE 21 -7.487 -2.641 -6.537 151 HG13 ILE 21 2HG1 ILE 21 -8.067 -0.979 -6.503 152 HG21 ILE 21 1HG2 ILE 21 -8.704 -3.265 -10.038 153 HG22 ILE 21 2HG2 ILE 21 -9.505 -3.715 -8.532 154 HG23 ILE 21 3HG2 ILE 21 -7.775 -3.998 -8.732 155 HD11 ILE 21 3HD1 ILE 21 -9.785 -3.449 -6.566 156 HD12 ILE 21 1HD1 ILE 21 -10.370 -1.786 -6.537 157 HD13 ILE 21 2HD1 ILE 21 -9.472 -2.429 -5.162 158 H ALA 22 H ALA 22 -5.248 -0.166 -7.621 159 HA ALA 22 HA ALA 22 -6.157 2.475 -8.512 160 HB1 ALA 22 3HB ALA 22 -7.098 2.112 -6.279 161 HB2 ALA 22 1HB ALA 22 -5.867 3.373 -6.254 162 HB3 ALA 22 2HB ALA 22 -5.487 1.759 -5.653 163 HA PRO 23 HA PRO 23 -1.877 3.123 -9.555 164 HB2 PRO 23 1HB PRO 23 -2.425 5.821 -8.386 165 HB3 PRO 23 2HB PRO 23 -1.665 5.397 -9.925 166 HG2 PRO 23 1HG PRO 23 -4.179 6.252 -9.859 167 HG3 PRO 23 2HG PRO 23 -3.696 4.944 -10.956 168 HD2 PRO 23 1HD PRO 23 -5.240 4.814 -8.411 169 HD3 PRO 23 2HD PRO 23 -5.377 3.811 -9.869 170 H SER 24 H SER 24 -0.103 2.615 -8.437 171 HA SER 24 HA SER 24 -0.049 2.016 -5.761 172 HB2 SER 24 1HB SER 24 2.348 2.879 -7.395 173 HB3 SER 24 2HB SER 24 2.355 1.829 -5.977 174 HG SER 24 HG SER 24 1.650 0.195 -7.149 175 H LEU 25 H LEU 25 0.058 3.137 -3.945 176 HA LEU 25 HA LEU 25 0.239 6.032 -4.138 177 HB2 LEU 25 1HB LEU 25 -1.626 5.130 -2.904 178 HB3 LEU 25 2HB LEU 25 -0.555 4.176 -1.897 179 HG LEU 25 HG LEU 25 0.355 6.259 -0.922 180 HD11 LEU 25 1HD1 LEU 25 -1.796 7.608 -2.543 181 HD12 LEU 25 2HD1 LEU 25 -0.057 7.758 -2.796 182 HD13 LEU 25 3HD1 LEU 25 -0.790 8.375 -1.315 183 HD21 LEU 25 3HD2 LEU 25 -2.640 5.977 -0.758 184 HD22 LEU 25 1HD2 LEU 25 -1.620 6.825 0.404 185 HD23 LEU 25 2HD2 LEU 25 -1.454 5.082 0.193 186 H TYR 26 H TYR 26 2.079 7.039 -3.806 187 HA TYR 26 HA TYR 26 4.242 5.712 -2.402 188 HB2 TYR 26 1HB TYR 26 4.107 8.338 -3.896 189 HB3 TYR 26 2HB TYR 26 5.552 7.753 -3.078 190 HD1 TYR 26 HD1 TYR 26 3.157 6.974 -5.802 191 HD2 TYR 26 HD2 TYR 26 6.984 6.197 -4.118 192 HE1 TYR 26 HE1 TYR 26 3.777 5.704 -7.814 193 HE2 TYR 26 HE2 TYR 26 7.615 4.922 -6.124 194 HH TYR 26 HH TYR 26 6.654 3.778 -7.968 195 H LEU 27 H LEU 27 3.725 5.687 -0.299 196 HA LEU 27 HA LEU 27 2.657 7.936 1.107 197 HB2 LEU 27 1HB LEU 27 2.211 5.646 1.823 198 HB3 LEU 27 2HB LEU 27 3.921 5.371 2.081 199 HG LEU 27 HG LEU 27 3.890 7.048 3.904 200 HD11 LEU 27 1HD1 LEU 27 0.915 7.052 3.416 201 HD12 LEU 27 2HD1 LEU 27 2.017 8.409 3.179 202 HD13 LEU 27 3HD1 LEU 27 1.728 7.781 4.803 203 HD21 LEU 27 3HD2 LEU 27 3.638 4.670 4.375 204 HD22 LEU 27 1HD2 LEU 27 1.892 4.812 4.181 205 HD23 LEU 27 2HD2 LEU 27 2.701 5.647 5.507 206 H SER 28 H SER 28 3.825 9.703 1.398 207 HA SER 28 HA SER 28 6.699 9.399 1.961 208 HB2 SER 28 1HB SER 28 6.108 10.476 -0.243 209 HB3 SER 28 2HB SER 28 5.356 11.784 0.667 210 HG SER 28 HG SER 28 7.455 12.062 1.687 211 H GLY 29 H GLY 29 6.917 9.614 4.089 212 HA2 GLY 29 1HA GLY 29 5.617 11.937 5.367 213 HA3 GLY 29 2HA GLY 29 5.898 10.413 6.203 214 H LEU 30 H LEU 30 7.229 11.154 7.798 215 HA LEU 30 HA LEU 30 9.591 12.705 7.073 216 HB2 LEU 30 1HB LEU 30 8.741 11.645 9.771 217 HB3 LEU 30 2HB LEU 30 9.999 12.827 9.469 218 HG LEU 30 HG LEU 30 7.047 13.234 8.980 219 HD11 LEU 30 1HD1 LEU 30 8.876 14.378 11.082 220 HD12 LEU 30 2HD1 LEU 30 7.616 13.172 11.346 221 HD13 LEU 30 3HD1 LEU 30 7.182 14.805 10.838 222 HD21 LEU 30 3HD2 LEU 30 8.401 14.465 7.376 223 HD22 LEU 30 1HD2 LEU 30 9.360 15.147 8.690 224 HD23 LEU 30 2HD2 LEU 30 7.653 15.561 8.538 225 H PHE 31 H PHE 31 11.748 11.958 7.778 226 HA PHE 31 HA PHE 31 12.119 9.210 7.014 227 HB2 PHE 31 1HB PHE 31 13.725 10.961 6.334 228 HB3 PHE 31 2HB PHE 31 14.136 11.232 8.025 229 HD1 PHE 31 HD2 PHE 31 14.084 8.564 5.431 230 HD2 PHE 31 HD1 PHE 31 15.889 10.067 8.982 231 HE1 PHE 31 HE2 PHE 31 15.810 6.815 5.291 232 HE2 PHE 31 HE1 PHE 31 17.617 8.321 8.846 233 HZ PHE 31 HZ PHE 31 17.577 6.694 7.001 234 H ASN 32 H ASN 32 12.481 7.487 8.299 235 HA ASN 32 HA ASN 32 12.704 6.186 10.150 236 HB2 ASN 32 1HB ASN 32 14.694 7.743 10.514 237 HB3 ASN 32 2HB ASN 32 13.670 8.645 11.622 238 HD21 ASN 32 2HD2 ASN 32 13.227 7.810 13.626 239 HD22 ASN 32 1HD2 ASN 32 14.023 6.414 14.267 240 H GLU 33 H GLU 33 10.333 7.947 9.573 241 HA GLU 33 HA GLU 33 9.158 8.313 12.205 242 HB2 GLU 33 1HB GLU 33 8.679 10.074 10.694 243 HB3 GLU 33 2HB GLU 33 8.250 8.960 9.405 244 HG2 GLU 33 1HG GLU 33 6.256 8.297 10.648 245 HG3 GLU 33 2HG GLU 33 6.689 9.421 11.934 246 H ALA 34 H ALA 34 7.724 6.979 13.131 247 HA ALA 34 HA ALA 34 6.897 4.541 11.833 248 HB1 ALA 34 3HB ALA 34 6.029 5.742 14.467 249 HB2 ALA 34 1HB ALA 34 7.333 4.576 14.241 250 HB3 ALA 34 2HB ALA 34 5.665 4.110 13.908 251 H TYR 35 H TYR 35 5.316 4.527 10.372 252 HA TYR 35 HA TYR 35 3.436 6.774 10.358 253 HB2 TYR 35 1HB TYR 35 3.129 6.263 7.974 254 HB3 TYR 35 2HB TYR 35 4.814 6.570 8.369 255 HD1 TYR 35 HD2 TYR 35 2.368 3.966 7.465 256 HD2 TYR 35 HD1 TYR 35 6.481 4.861 8.089 257 HE1 TYR 35 HE2 TYR 35 2.984 1.846 6.392 258 HE2 TYR 35 HE1 TYR 35 7.109 2.741 7.010 259 HH TYR 35 HH TYR 35 6.123 0.547 6.516 260 H ASN 36 H ASN 36 1.342 6.260 9.208 261 HA ASN 36 HA ASN 36 0.227 3.701 10.142 262 HB2 ASN 36 1HB ASN 36 -1.090 6.382 9.657 263 HB3 ASN 36 2HB ASN 36 -1.999 4.896 9.908 264 HD21 ASN 36 2HD2 ASN 36 0.087 7.269 11.369 265 HD22 ASN 36 1HD2 ASN 36 -0.224 6.815 13.011 266 H VAL 37 H VAL 37 -1.243 2.621 8.688 267 HA VAL 37 HA VAL 37 -0.426 3.002 5.922 268 HB VAL 37 HB VAL 37 -1.679 0.828 5.545 269 HG11 VAL 37 1HG1 VAL 37 0.104 -0.535 6.539 270 HG12 VAL 37 2HG1 VAL 37 0.600 0.841 7.524 271 HG13 VAL 37 3HG1 VAL 37 0.743 0.916 5.768 272 HG21 VAL 37 3HG2 VAL 37 -1.740 0.833 8.566 273 HG22 VAL 37 1HG2 VAL 37 -2.137 -0.541 7.533 274 HG23 VAL 37 2HG2 VAL 37 -3.140 0.908 7.496 275 HA PRO 38 HA PRO 38 -4.287 5.126 5.096 276 HB2 PRO 38 1HB PRO 38 -3.327 5.232 2.339 277 HB3 PRO 38 2HB PRO 38 -3.614 6.556 3.470 278 HG2 PRO 38 1HG PRO 38 -1.132 5.827 2.682 279 HG3 PRO 38 2HG PRO 38 -1.466 6.500 4.288 280 HD2 PRO 38 1HD PRO 38 -1.051 3.648 3.473 281 HD3 PRO 38 2HD PRO 38 -0.446 4.512 4.904 282 H MET 39 H MET 39 -6.104 4.007 4.843 283 HA MET 39 HA MET 39 -6.171 1.901 2.780 284 HB2 MET 39 1HB MET 39 -7.372 1.870 5.548 285 HB3 MET 39 2HB MET 39 -7.807 0.716 4.295 286 HG2 MET 39 1HG MET 39 -5.462 -0.011 4.179 287 HG3 MET 39 2HG MET 39 -5.070 1.111 5.481 288 HE1 MET 39 3HE MET 39 -3.973 -1.001 6.771 289 HE2 MET 39 1HE MET 39 -4.470 -2.069 5.459 290 HE3 MET 39 2HE MET 39 -4.866 -2.480 7.128 291 H LYS 40 H LYS 40 -7.971 1.740 1.528 292 HA LYS 40 HA LYS 40 -10.189 3.590 2.039 293 HB2 LYS 40 1HB LYS 40 -8.667 3.318 -0.557 294 HB3 LYS 40 2HB LYS 40 -10.250 4.071 -0.439 295 HG2 LYS 40 1HG LYS 40 -9.345 5.767 1.054 296 HG3 LYS 40 2HG LYS 40 -7.757 5.000 0.971 297 HD2 LYS 40 1HD LYS 40 -7.670 5.417 -1.429 298 HD3 LYS 40 2HD LYS 40 -9.276 6.146 -1.368 299 HE2 LYS 40 1HE LYS 40 -8.467 7.935 0.017 300 HE3 LYS 40 2HE LYS 40 -6.888 7.166 0.162 301 HZ1 LYS 40 3HZ LYS 40 -8.063 8.159 -2.380 302 HZ2 LYS 40 1HZ LYS 40 -6.514 7.501 -2.178 303 HZ3 LYS 40 2HZ LYS 40 -6.907 8.987 -1.457 304 H LYS 41 H LYS 41 -12.162 2.732 1.601 305 HA LYS 41 HA LYS 41 -12.192 -0.080 0.894 306 HB2 LYS 41 1HB LYS 41 -13.535 0.996 2.803 307 HB3 LYS 41 2HB LYS 41 -14.603 1.603 1.545 308 HG2 LYS 41 1HG LYS 41 -15.127 -0.640 0.843 309 HG3 LYS 41 2HG LYS 41 -13.962 -1.303 1.992 310 HD2 LYS 41 1HD LYS 41 -15.314 -0.157 3.807 311 HD3 LYS 41 2HD LYS 41 -16.550 0.117 2.577 312 HE2 LYS 41 1HE LYS 41 -17.078 -1.884 3.810 313 HE3 LYS 41 2HE LYS 41 -16.622 -2.315 2.161 314 HZ1 LYS 41 3HZ LYS 41 -14.931 -2.540 4.595 315 HZ2 LYS 41 1HZ LYS 41 -14.368 -2.813 3.019 316 HZ3 LYS 41 2HZ LYS 41 -15.568 -3.813 3.672 317 H ILE 42 H ILE 42 -11.774 -0.169 -1.259 318 HA ILE 42 HA ILE 42 -13.094 1.591 -3.121 319 HB ILE 42 HB ILE 42 -11.261 -0.758 -3.634 320 HG12 ILE 42 1HG1 ILE 42 -10.663 2.211 -3.566 321 HG13 ILE 42 2HG1 ILE 42 -10.216 1.058 -2.314 322 HG21 ILE 42 1HG2 ILE 42 -10.961 0.239 -5.858 323 HG22 ILE 42 2HG2 ILE 42 -12.173 1.459 -5.464 324 HG23 ILE 42 3HG2 ILE 42 -12.634 -0.240 -5.569 325 HD11 ILE 42 3HD1 ILE 42 -8.327 1.578 -3.738 326 HD12 ILE 42 1HD1 ILE 42 -9.231 1.052 -5.158 327 HD13 ILE 42 2HD1 ILE 42 -8.787 -0.115 -3.912 328 H LYS 43 H LYS 43 -15.033 1.234 -3.914 329 HA LYS 43 HA LYS 43 -16.890 0.236 -4.727 330 HB2 LYS 43 1HB LYS 43 -14.904 -1.894 -5.519 331 HB3 LYS 43 2HB LYS 43 -16.556 -1.802 -6.115 332 HG2 LYS 43 1HG LYS 43 -16.062 0.393 -7.102 333 HG3 LYS 43 2HG LYS 43 -14.396 0.255 -6.533 334 HD2 LYS 43 1HD LYS 43 -14.095 -1.756 -7.892 335 HD3 LYS 43 2HD LYS 43 -15.763 -1.629 -8.454 336 HE2 LYS 43 1HE LYS 43 -14.292 -0.737 -10.139 337 HE3 LYS 43 2HE LYS 43 -15.226 0.580 -9.431 338 HZ1 LYS 43 3HZ LYS 43 -13.320 1.181 -8.084 339 HZ2 LYS 43 1HZ LYS 43 -12.884 1.158 -9.724 340 HZ3 LYS 43 2HZ LYS 43 -12.426 -0.119 -8.712 341 H GLY 44 H GLY 44 -16.112 -0.355 -1.959 342 HA2 GLY 44 1HA GLY 44 -16.978 -1.565 -0.210 343 HA3 GLY 44 2HA GLY 44 -18.166 -2.195 -1.341 344 H TYR 45 H TYR 45 -14.628 -2.527 -1.169 345 HA TYR 45 HA TYR 45 -14.964 -5.432 -1.240 346 HB2 TYR 45 1HB TYR 45 -12.530 -3.679 -1.597 347 HB3 TYR 45 2HB TYR 45 -12.448 -5.433 -1.510 348 HD1 TYR 45 HD1 TYR 45 -15.223 -5.616 -3.113 349 HD2 TYR 45 HD2 TYR 45 -11.457 -3.758 -3.792 350 HE1 TYR 45 HE1 TYR 45 -15.591 -5.762 -5.541 351 HE2 TYR 45 HE2 TYR 45 -11.816 -3.897 -6.217 352 HH TYR 45 HH TYR 45 -13.102 -5.206 -7.812 353 H THR 46 H THR 46 -13.907 -6.790 0.274 354 HA THR 46 HA THR 46 -13.536 -5.578 2.913 355 HB THR 46 HB THR 46 -13.541 -8.519 2.181 356 HG1 THR 46 HG1 THR 46 -15.721 -8.498 2.852 357 HG21 THR 46 3HG2 THR 46 -12.489 -8.011 4.330 358 HG22 THR 46 1HG2 THR 46 -14.024 -8.848 4.566 359 HG23 THR 46 2HG2 THR 46 -13.919 -7.107 4.827 360 H LEU 47 H LEU 47 -11.537 -5.477 3.885 361 HA LEU 47 HA LEU 47 -9.199 -5.779 2.360 362 HB2 LEU 47 1HB LEU 47 -9.355 -4.342 4.362 363 HB3 LEU 47 2HB LEU 47 -9.464 -5.775 5.364 364 HG LEU 47 HG LEU 47 -7.200 -6.439 4.655 365 HD11 LEU 47 1HD1 LEU 47 -7.179 -5.370 2.467 366 HD12 LEU 47 2HD1 LEU 47 -5.803 -4.852 3.440 367 HD13 LEU 47 3HD1 LEU 47 -7.189 -3.782 3.234 368 HD21 LEU 47 3HD2 LEU 47 -7.481 -5.156 6.696 369 HD22 LEU 47 1HD2 LEU 47 -7.412 -3.651 5.780 370 HD23 LEU 47 2HD2 LEU 47 -5.991 -4.690 5.873 371 H LEU 48 H LEU 48 -8.596 -7.656 1.541 372 HA LEU 48 HA LEU 48 -9.253 -10.180 2.619 373 HB2 LEU 48 1HB LEU 48 -8.768 -9.846 0.242 374 HB3 LEU 48 2HB LEU 48 -7.116 -9.402 0.628 375 HG LEU 48 HG LEU 48 -6.753 -11.702 1.516 376 HD11 LEU 48 1HD1 LEU 48 -9.081 -12.225 2.045 377 HD12 LEU 48 2HD1 LEU 48 -8.364 -13.440 0.987 378 HD13 LEU 48 3HD1 LEU 48 -9.468 -12.234 0.324 379 HD21 LEU 48 3HD2 LEU 48 -6.079 -11.122 -0.750 380 HD22 LEU 48 1HD2 LEU 48 -7.687 -11.532 -1.346 381 HD23 LEU 48 2HD2 LEU 48 -6.649 -12.789 -0.671 382 H LYS 49 H LYS 49 -6.257 -8.305 2.553 383 HA LYS 49 HA LYS 49 -5.274 -8.976 5.030 384 HB2 LYS 49 1HB LYS 49 -5.302 -11.330 4.177 385 HB3 LYS 49 2HB LYS 49 -4.165 -10.853 2.924 386 HG2 LYS 49 1HG LYS 49 -2.568 -10.193 4.712 387 HG3 LYS 49 2HG LYS 49 -3.695 -10.862 5.894 388 HD2 LYS 49 1HD LYS 49 -3.505 -13.056 4.868 389 HD3 LYS 49 2HD LYS 49 -2.440 -12.402 3.621 390 HE2 LYS 49 1HE LYS 49 -1.876 -12.526 6.581 391 HE3 LYS 49 2HE LYS 49 -1.142 -13.531 5.332 392 HZ1 LYS 49 3HZ LYS 49 -0.205 -11.495 4.347 393 HZ2 LYS 49 1HZ LYS 49 0.349 -11.759 5.927 394 HZ3 LYS 49 2HZ LYS 49 -0.836 -10.589 5.634 395 H TYR 50 H TYR 50 -3.277 -8.060 5.406 396 HA TYR 50 HA TYR 50 -1.719 -7.198 3.062 397 HB2 TYR 50 1HB TYR 50 -0.925 -5.260 4.432 398 HB3 TYR 50 2HB TYR 50 -2.641 -5.189 4.056 399 HD1 TYR 50 HD2 TYR 50 -0.176 -5.780 6.726 400 HD2 TYR 50 HD1 TYR 50 -4.294 -5.306 5.785 401 HE1 TYR 50 HE2 TYR 50 -0.686 -5.530 9.113 402 HE2 TYR 50 HE1 TYR 50 -4.816 -5.051 8.173 403 HH TYR 50 HH TYR 50 -2.433 -4.534 10.529 404 H ASP 51 H ASP 51 0.678 -6.903 3.734 405 HA ASP 51 HA ASP 51 1.439 -9.326 5.097 406 HB2 ASP 51 1HB ASP 51 2.671 -8.515 3.086 407 HB3 ASP 51 2HB ASP 51 3.246 -7.142 4.033 408 H SER 52 H SER 52 2.890 -9.408 6.907 409 HA SER 52 HA SER 52 1.952 -7.837 9.039 410 HB2 SER 52 1HB SER 52 4.396 -9.614 8.923 411 HB3 SER 52 2HB SER 52 3.596 -9.046 10.389 412 HG SER 52 HG SER 52 3.048 -11.216 9.011 413 H GLU 53 H GLU 53 4.668 -7.412 6.885 414 HA GLU 53 HA GLU 53 6.051 -5.618 8.673 415 HB2 GLU 53 1HB GLU 53 7.283 -7.014 7.058 416 HB3 GLU 53 2HB GLU 53 6.521 -6.142 5.736 417 HG2 GLU 53 1HG GLU 53 7.607 -4.088 6.426 418 HG3 GLU 53 2HG GLU 53 8.322 -4.911 7.812 419 H ILE 54 H ILE 54 4.437 -4.088 9.102 420 HA ILE 54 HA ILE 54 4.362 -1.994 7.046 421 HB ILE 54 HB ILE 54 2.094 -1.318 7.772 422 HG12 ILE 54 1HG1 ILE 54 1.943 -3.998 9.159 423 HG13 ILE 54 2HG1 ILE 54 2.233 -2.484 10.010 424 HG21 ILE 54 1HG2 ILE 54 2.355 -2.639 5.759 425 HG22 ILE 54 2HG2 ILE 54 0.868 -3.090 6.594 426 HG23 ILE 54 3HG2 ILE 54 2.290 -4.129 6.700 427 HD11 ILE 54 3HD1 ILE 54 -0.205 -3.148 8.376 428 HD12 ILE 54 1HD1 ILE 54 0.084 -1.634 9.233 429 HD13 ILE 54 2HD1 ILE 54 -0.101 -3.138 10.137 430 H LEU 55 H LEU 55 4.157 -2.860 10.459 431 HA LEU 55 HA LEU 55 4.401 -0.113 11.304 432 HB2 LEU 55 1HB LEU 55 4.423 -2.692 12.871 433 HB3 LEU 55 2HB LEU 55 4.500 -1.096 13.594 434 HG LEU 55 HG LEU 55 2.202 -2.200 11.978 435 HD11 LEU 55 1HD1 LEU 55 0.983 -2.116 14.092 436 HD12 LEU 55 2HD1 LEU 55 2.444 -1.576 14.917 437 HD13 LEU 55 3HD1 LEU 55 2.380 -3.187 14.203 438 HD21 LEU 55 3HD2 LEU 55 1.034 -0.145 12.606 439 HD22 LEU 55 1HD2 LEU 55 2.464 0.203 11.634 440 HD23 LEU 55 2HD2 LEU 55 2.500 0.456 13.379 441 H GLY 56 H GLY 56 6.238 0.894 11.244 442 HA2 GLY 56 1HA GLY 56 8.574 0.030 12.542 443 HA3 GLY 56 2HA GLY 56 8.746 -0.252 10.811 444 H VAL 57 H VAL 57 10.071 1.316 10.108 445 HA VAL 57 HA VAL 57 9.134 4.078 10.481 446 HB VAL 57 HB VAL 57 11.462 4.886 10.630 447 HG11 VAL 57 1HG1 VAL 57 10.725 2.904 12.780 448 HG12 VAL 57 2HG1 VAL 57 10.206 4.587 12.687 449 HG13 VAL 57 3HG1 VAL 57 11.908 4.202 12.946 450 HG21 VAL 57 3HG2 VAL 57 12.593 3.037 9.527 451 HG22 VAL 57 1HG2 VAL 57 12.185 1.966 10.867 452 HG23 VAL 57 2HG2 VAL 57 13.286 3.320 11.124 453 H PHE 58 H PHE 58 9.631 5.485 8.716 454 HA PHE 58 HA PHE 58 9.779 4.380 6.150 455 HB2 PHE 58 1HB PHE 58 10.451 7.142 7.171 456 HB3 PHE 58 2HB PHE 58 10.569 6.723 5.467 457 HD1 PHE 58 HD2 PHE 58 8.557 6.200 4.177 458 HD2 PHE 58 HD1 PHE 58 8.336 7.479 8.228 459 HE1 PHE 58 HE2 PHE 58 6.173 6.724 3.878 460 HE2 PHE 58 HE1 PHE 58 5.953 8.008 7.934 461 HZ PHE 58 HZ PHE 58 4.870 7.632 5.758 462 H THR 59 H THR 59 11.374 3.262 5.312 463 HA THR 59 HA THR 59 13.974 3.298 6.528 464 HB THR 59 HB THR 59 14.377 1.483 4.735 465 HG1 THR 59 HG1 THR 59 12.616 1.930 3.372 466 HG21 THR 59 3HG2 THR 59 12.262 1.130 6.862 467 HG22 THR 59 1HG2 THR 59 14.005 1.008 7.100 468 HG23 THR 59 2HG2 THR 59 13.168 -0.174 6.093 469 H GLU 60 H GLU 60 15.834 2.871 4.816 470 HA GLU 60 HA GLU 60 16.096 5.395 3.394 471 HB2 GLU 60 1HB GLU 60 18.097 3.169 3.844 472 HB3 GLU 60 2HB GLU 60 18.457 4.774 3.216 473 HG2 GLU 60 1HG GLU 60 17.972 5.796 5.289 474 HG3 GLU 60 2HG GLU 60 17.247 4.322 5.926 475 H SER 61 H SER 61 14.748 2.622 2.649 476 HA SER 61 HA SER 61 15.332 2.885 -0.196 477 HB2 SER 61 1HB SER 61 16.690 0.980 0.714 478 HB3 SER 61 2HB SER 61 15.195 0.214 1.246 479 HG SER 61 HG SER 61 14.583 -0.050 -0.864 480 HA PRO 62 HA PRO 62 10.924 3.043 -0.496 481 HB2 PRO 62 1HB PRO 62 11.267 1.397 -2.952 482 HB3 PRO 62 2HB PRO 62 10.440 2.944 -2.739 483 HG2 PRO 62 1HG PRO 62 12.820 2.827 -3.929 484 HG3 PRO 62 2HG PRO 62 12.411 4.162 -2.833 485 HD2 PRO 62 1HD PRO 62 14.144 1.777 -2.357 486 HD3 PRO 62 2HD PRO 62 14.341 3.447 -1.789 487 H GLN 63 H GLN 63 9.836 1.841 0.916 488 HA GLN 63 HA GLN 63 10.043 -1.055 0.930 489 HB2 GLN 63 1HB GLN 63 9.952 0.412 3.013 490 HB3 GLN 63 2HB GLN 63 8.257 0.687 2.640 491 HG2 GLN 63 1HG GLN 63 7.750 -1.631 2.926 492 HG3 GLN 63 2HG GLN 63 9.461 -2.034 3.085 493 HE21 GLN 63 2HE2 GLN 63 10.571 -1.394 4.961 494 HE22 GLN 63 1HE2 GLN 63 9.723 -1.046 6.432 495 H THR 64 H THR 64 8.249 -2.460 0.558 496 HA THR 64 HA THR 64 6.120 -1.187 -1.043 497 HB THR 64 HB THR 64 7.253 -3.957 -1.463 498 HG1 THR 64 HG1 THR 64 8.679 -2.044 -1.900 499 HG21 THR 64 3HG2 THR 64 4.959 -3.646 -2.270 500 HG22 THR 64 1HG2 THR 64 6.086 -3.824 -3.615 501 HG23 THR 64 2HG2 THR 64 5.471 -2.228 -3.186 502 H ILE 65 H ILE 65 4.197 -1.333 -0.083 503 HA ILE 65 HA ILE 65 3.673 -3.647 1.664 504 HB ILE 65 HB ILE 65 2.278 -0.962 1.609 505 HG12 ILE 65 1HG1 ILE 65 4.123 -2.197 3.670 506 HG13 ILE 65 2HG1 ILE 65 4.529 -0.863 2.594 507 HG21 ILE 65 1HG2 ILE 65 1.850 -3.344 3.413 508 HG22 ILE 65 2HG2 ILE 65 0.731 -2.743 2.189 509 HG23 ILE 65 3HG2 ILE 65 1.093 -1.763 3.610 510 HD11 ILE 65 3HD1 ILE 65 2.423 -0.823 4.741 511 HD12 ILE 65 1HD1 ILE 65 2.817 0.513 3.659 512 HD13 ILE 65 2HD1 ILE 65 4.013 -0.064 4.820 513 H ASN 66 H ASN 66 2.243 -5.107 1.032 514 HA ASN 66 HA ASN 66 0.573 -4.515 -1.303 515 HB2 ASN 66 1HB ASN 66 1.256 -7.178 -0.028 516 HB3 ASN 66 2HB ASN 66 0.265 -6.965 -1.466 517 HD21 ASN 66 2HD2 ASN 66 2.703 -8.466 -1.183 518 HD22 ASN 66 1HD2 ASN 66 3.844 -7.776 -2.286 519 H ILE 67 H ILE 67 -1.286 -3.620 -0.656 520 HA ILE 67 HA ILE 67 -2.739 -4.878 1.574 521 HB ILE 67 HB ILE 67 -3.186 -2.173 0.287 522 HG12 ILE 67 1HG1 ILE 67 -2.025 -2.925 2.979 523 HG13 ILE 67 2HG1 ILE 67 -1.130 -2.253 1.621 524 HG21 ILE 67 1HG2 ILE 67 -4.515 -3.442 2.677 525 HG22 ILE 67 2HG2 ILE 67 -5.262 -3.132 1.110 526 HG23 ILE 67 3HG2 ILE 67 -4.757 -1.783 2.129 527 HD11 ILE 67 3HD1 ILE 67 -1.583 -0.568 3.305 528 HD12 ILE 67 1HD1 ILE 67 -3.315 -0.863 3.153 529 HD13 ILE 67 2HD1 ILE 67 -2.413 -0.188 1.796 530 H ILE 68 H ILE 68 -4.205 -6.333 0.934 531 HA ILE 68 HA ILE 68 -5.202 -6.140 -1.829 532 HB ILE 68 HB ILE 68 -5.172 -8.595 -0.067 533 HG12 ILE 68 1HG1 ILE 68 -3.220 -7.880 -2.266 534 HG13 ILE 68 2HG1 ILE 68 -2.878 -7.669 -0.552 535 HG21 ILE 68 1HG2 ILE 68 -6.797 -8.664 -1.876 536 HG22 ILE 68 2HG2 ILE 68 -5.475 -9.788 -2.189 537 HG23 ILE 68 3HG2 ILE 68 -5.541 -8.245 -3.042 538 HD11 ILE 68 3HD1 ILE 68 -3.118 -10.071 -0.211 539 HD12 ILE 68 1HD1 ILE 68 -1.878 -9.700 -1.408 540 HD13 ILE 68 2HD1 ILE 68 -3.461 -10.279 -1.929 541 H TYR 69 H TYR 69 -7.294 -5.834 -2.207 542 HA TYR 69 HA TYR 69 -9.187 -6.156 0.030 543 HB2 TYR 69 1HB TYR 69 -9.207 -4.268 -2.325 544 HB3 TYR 69 2HB TYR 69 -10.632 -4.557 -1.334 545 HD1 TYR 69 HD2 TYR 69 -10.751 -3.733 0.945 546 HD2 TYR 69 HD1 TYR 69 -7.317 -3.012 -1.459 547 HE1 TYR 69 HE2 TYR 69 -10.007 -2.013 2.537 548 HE2 TYR 69 HE1 TYR 69 -6.562 -1.291 0.127 549 HH TYR 69 HH TYR 69 -7.971 -0.891 3.215 550 H GLN 70 H GLN 70 -10.459 -7.862 -0.155 551 HA GLN 70 HA GLN 70 -10.690 -9.184 -2.743 552 HB2 GLN 70 1HB GLN 70 -10.063 -10.603 -0.895 553 HB3 GLN 70 2HB GLN 70 -11.437 -10.052 0.054 554 HG2 GLN 70 1HG GLN 70 -12.942 -11.076 -1.634 555 HG3 GLN 70 2HG GLN 70 -11.520 -11.728 -2.444 556 HE21 GLN 70 2HE2 GLN 70 -10.438 -13.457 -1.538 557 HE22 GLN 70 1HE2 GLN 70 -11.067 -14.367 -0.206 558 H LYS 71 H LYS 71 -12.566 -9.505 -3.800 559 HA LYS 71 HA LYS 71 -14.736 -7.755 -3.443 560 HB2 LYS 71 1HB LYS 71 -14.800 -10.405 -4.901 561 HB3 LYS 71 2HB LYS 71 -15.793 -8.989 -5.215 562 HG2 LYS 71 1HG LYS 71 -13.912 -7.777 -6.062 563 HG3 LYS 71 2HG LYS 71 -12.808 -9.069 -5.586 564 HD2 LYS 71 1HD LYS 71 -14.019 -10.586 -7.147 565 HD3 LYS 71 2HD LYS 71 -14.965 -9.199 -7.691 566 HE2 LYS 71 1HE LYS 71 -13.110 -9.650 -9.210 567 HE3 LYS 71 2HE LYS 71 -12.923 -8.084 -8.423 568 HZ1 LYS 71 3HZ LYS 71 -11.396 -9.159 -6.837 569 HZ2 LYS 71 1HZ LYS 71 -10.828 -9.213 -8.427 570 HZ3 LYS 71 2HZ LYS 71 -11.498 -10.604 -7.722 571 H LYS 72 H LYS 72 -16.259 -7.840 -1.895 572 HA LYS 72 HA LYS 72 -16.572 -10.229 -0.307 573 HB2 LYS 72 1HB LYS 72 -18.075 -8.890 1.077 574 HB3 LYS 72 2HB LYS 72 -16.564 -8.043 0.788 575 HG2 LYS 72 1HG LYS 72 -17.648 -6.667 -0.905 576 HG3 LYS 72 2HG LYS 72 -19.164 -7.530 -0.640 577 HD2 LYS 72 1HD LYS 72 -19.141 -6.776 1.715 578 HD3 LYS 72 2HD LYS 72 -17.669 -5.860 1.381 579 HE2 LYS 72 1HE LYS 72 -19.669 -4.440 1.326 580 HE3 LYS 72 2HE LYS 72 -18.847 -4.492 -0.232 581 HZ1 LYS 72 3HZ LYS 72 -20.490 -6.199 -0.921 582 HZ2 LYS 72 1HZ LYS 72 -21.168 -4.680 -0.600 583 HZ3 LYS 72 2HZ LYS 72 -21.330 -5.931 0.531 584 H ALA 73 H ALA 73 -17.641 -9.565 -3.213 585 HA ALA 73 HA ALA 73 -20.390 -10.450 -2.903 586 HB1 ALA 73 3HB ALA 73 -19.893 -8.742 -4.587 587 HB2 ALA 73 1HB ALA 73 -20.523 -10.210 -5.336 588 HB3 ALA 73 2HB ALA 73 -18.796 -9.858 -5.400 589 HA PRO 74 HA PRO 74 -19.234 -14.732 -2.922 590 HB2 PRO 74 1HB PRO 74 -21.973 -15.050 -4.039 591 HB3 PRO 74 2HB PRO 74 -21.229 -15.832 -2.640 592 HG2 PRO 74 1HG PRO 74 -23.016 -13.898 -2.302 593 HG3 PRO 74 2HG PRO 74 -21.585 -14.001 -1.260 594 HD2 PRO 74 1HD PRO 74 -22.133 -12.158 -3.549 595 HD3 PRO 74 2HD PRO 74 -21.322 -11.829 -2.004 596 H GLU 75 H GLU 75 -19.174 -16.581 -4.405 597 HA GLU 75 HA GLU 75 -18.347 -15.688 -7.026 598 HB2 GLU 75 1HB GLU 75 -17.086 -17.351 -5.621 599 HB3 GLU 75 2HB GLU 75 -18.384 -18.499 -5.912 600 HG2 GLU 75 1HG GLU 75 -17.922 -18.478 -8.282 601 HG3 GLU 75 2HG GLU 75 -16.692 -17.236 -8.057 602 H GLN 76 H GLN 76 -21.041 -15.284 -6.713 603 HA GLN 76 HA GLN 76 -22.271 -17.348 -8.399 604 HB2 GLN 76 1HB GLN 76 -23.499 -15.076 -6.826 605 HB3 GLN 76 2HB GLN 76 -24.409 -16.132 -7.897 606 HG2 GLN 76 1HG GLN 76 -23.721 -18.060 -6.513 607 HG3 GLN 76 2HG GLN 76 -22.926 -16.941 -5.407 608 HE21 GLN 76 2HE2 GLN 76 -25.163 -18.807 -4.996 609 HE22 GLN 76 1HE2 GLN 76 -26.467 -17.842 -4.390 610 H ALA 77 H ALA 77 -21.967 -13.813 -8.131 611 HA ALA 77 HA ALA 77 -22.428 -13.546 -11.003 612 HB1 ALA 77 3HB ALA 77 -23.524 -11.962 -9.490 613 HB2 ALA 77 1HB ALA 77 -22.410 -11.142 -10.584 614 HB3 ALA 77 2HB ALA 77 -21.948 -11.428 -8.906 615 H LEU 78 H LEU 78 -19.873 -14.050 -8.916 616 HA LEU 78 HA LEU 78 -17.924 -12.740 -10.673 617 HB2 LEU 78 1HB LEU 78 -17.715 -12.237 -8.293 618 HB3 LEU 78 2HB LEU 78 -17.621 -13.946 -7.920 619 HG LEU 78 HG LEU 78 -15.481 -14.075 -9.161 620 HD11 LEU 78 1HD1 LEU 78 -15.781 -11.081 -9.358 621 HD12 LEU 78 2HD1 LEU 78 -15.820 -12.224 -10.701 622 HD13 LEU 78 3HD1 LEU 78 -14.335 -12.001 -9.776 623 HD21 LEU 78 3HD2 LEU 78 -15.578 -12.007 -6.969 624 HD22 LEU 78 1HD2 LEU 78 -14.143 -12.891 -7.488 625 HD23 LEU 78 2HD2 LEU 78 -15.492 -13.754 -6.749 626 H GLU 79 H GLU 79 -16.819 -13.941 -12.103 627 HA GLU 79 HA GLU 79 -16.827 -16.861 -11.713 628 HB2 GLU 79 1HB GLU 79 -16.875 -15.221 -14.237 629 HB3 GLU 79 2HB GLU 79 -16.467 -16.931 -14.231 630 HG2 GLU 79 1HG GLU 79 -18.663 -17.402 -13.196 631 HG3 GLU 79 2HG GLU 79 -19.065 -15.693 -13.359 632 H HIS 80 H HIS 80 -14.960 -17.810 -11.389 633 HA HIS 80 HA HIS 80 -12.486 -16.424 -12.159 634 HB2 HIS 80 1HB HIS 80 -12.948 -18.735 -10.257 635 HB3 HIS 80 2HB HIS 80 -11.362 -18.102 -10.677 636 HD1 HIS 80 HD1 HIS 80 -13.982 -17.772 -8.224 637 HD2 HIS 80 HD2 HIS 80 -11.107 -15.250 -9.875 638 HE1 HIS 80 HE1 HIS 80 -13.750 -15.855 -6.616 639 HE2 HIS 80 HE2 HIS 80 -11.817 -14.498 -7.500 640 H HIS 81 H HIS 81 -11.914 -16.974 -14.188 641 HA HIS 81 HA HIS 81 -12.605 -19.630 -15.182 642 HB2 HIS 81 1HB HIS 81 -11.422 -17.242 -16.615 643 HB3 HIS 81 2HB HIS 81 -11.885 -18.756 -17.383 644 HD1 HIS 81 HD1 HIS 81 -13.130 -15.472 -16.844 645 HD2 HIS 81 HD2 HIS 81 -14.831 -19.270 -16.809 646 HE1 HIS 81 HE1 HIS 81 -15.599 -15.115 -17.147 647 HE2 HIS 81 HE2 HIS 81 -16.623 -17.399 -16.873 648 H HIS 82 H HIS 82 -11.242 -21.195 -14.769 649 HA HIS 82 HA HIS 82 -8.414 -20.618 -14.367 650 HB2 HIS 82 1HB HIS 82 -10.032 -23.140 -13.952 651 HB3 HIS 82 2HB HIS 82 -8.310 -23.001 -13.619 652 HD1 HIS 82 HD1 HIS 82 -11.641 -22.291 -12.190 653 HD2 HIS 82 HD2 HIS 82 -7.677 -21.314 -11.396 654 HE1 HIS 82 HE1 HIS 82 -11.624 -21.373 -9.852 655 HE2 HIS 82 HE2 HIS 82 -9.187 -21.010 -9.314 656 H HIS 83 H HIS 83 -6.981 -20.841 -15.919 657 HA HIS 83 HA HIS 83 -7.227 -23.055 -17.798 658 HB2 HIS 83 1HB HIS 83 -6.682 -21.629 -19.746 659 HB3 HIS 83 2HB HIS 83 -8.247 -21.240 -19.050 660 HD1 HIS 83 HD1 HIS 83 -5.239 -19.674 -20.251 661 HD2 HIS 83 HD2 HIS 83 -8.059 -18.824 -17.315 662 HE1 HIS 83 HE1 HIS 83 -4.979 -17.229 -19.750 663 HE2 HIS 83 HE2 HIS 83 -6.579 -16.774 -17.854 664 H HIS 84 H HIS 84 -5.123 -23.275 -19.089 665 HA HIS 84 HA HIS 84 -3.076 -23.364 -17.065 666 HB2 HIS 84 1HB HIS 84 -1.838 -24.768 -18.565 667 HB3 HIS 84 2HB HIS 84 -3.522 -25.257 -18.631 668 HD1 HIS 84 HD1 HIS 84 -4.664 -25.191 -20.899 669 HD2 HIS 84 HD2 HIS 84 -0.878 -23.471 -20.931 670 HE1 HIS 84 HE1 HIS 84 -4.094 -24.844 -23.322 671 HE2 HIS 84 HE2 HIS 84 -1.741 -23.946 -23.318 672 H HIS 85 H HIS 85 -3.722 -20.720 -17.911 673 HA HIS 85 HA HIS 85 -2.725 -18.739 -18.374 674 HB2 HIS 85 1HB HIS 85 -0.764 -19.657 -17.152 675 HB3 HIS 85 2HB HIS 85 -0.164 -20.336 -18.659 676 HD1 HIS 85 HD1 HIS 85 -0.082 -17.329 -16.603 677 HD2 HIS 85 HD2 HIS 85 0.605 -18.285 -20.593 678 HE1 HIS 85 HE1 HIS 85 1.230 -15.402 -17.552 679 HE2 HIS 85 HE2 HIS 85 1.541 -15.952 -19.993 Start of MODEL 2 1 H1 MET 1 1H MET 1 23.209 16.729 -5.531 2 H2 MET 1 2H MET 1 21.785 16.169 -6.258 3 H3 MET 1 3H MET 1 23.281 15.867 -6.991 4 HA MET 1 HA MET 1 23.927 14.539 -5.028 5 HB2 MET 1 1HB MET 1 20.981 14.821 -4.385 6 HB3 MET 1 2HB MET 1 22.121 13.783 -3.542 7 HG2 MET 1 1HG MET 1 23.340 15.716 -2.748 8 HG3 MET 1 2HG MET 1 22.273 16.786 -3.656 9 HE1 MET 1 3HE MET 1 21.256 17.504 0.056 10 HE2 MET 1 1HE MET 1 21.806 18.204 -1.466 11 HE3 MET 1 2HE MET 1 22.874 17.144 -0.547 12 H ASP 2 H ASP 2 24.383 13.120 -6.678 13 HA ASP 2 HA ASP 2 22.236 12.001 -8.264 14 HB2 ASP 2 1HB ASP 2 25.222 11.561 -8.281 15 HB3 ASP 2 2HB ASP 2 24.116 10.686 -9.337 16 H PHE 3 H PHE 3 24.193 11.068 -5.552 17 HA PHE 3 HA PHE 3 22.906 8.417 -5.577 18 HB2 PHE 3 1HB PHE 3 25.427 9.286 -4.139 19 HB3 PHE 3 2HB PHE 3 24.729 7.670 -4.103 20 HD1 PHE 3 HD2 PHE 3 24.819 6.234 -6.071 21 HD2 PHE 3 HD1 PHE 3 26.679 10.060 -6.028 22 HE1 PHE 3 HE2 PHE 3 26.130 5.616 -8.058 23 HE2 PHE 3 HE1 PHE 3 27.993 9.450 -8.017 24 HZ PHE 3 HZ PHE 3 27.720 7.223 -9.033 25 H GLY 4 H GLY 4 21.250 8.247 -4.211 26 HA2 GLY 4 1HA GLY 4 21.475 9.334 -1.530 27 HA3 GLY 4 2HA GLY 4 20.239 10.087 -2.527 28 H LYS 5 H LYS 5 19.678 8.758 -0.153 29 HA LYS 5 HA LYS 5 18.494 6.209 -0.981 30 HB2 LYS 5 1HB LYS 5 18.772 7.491 1.747 31 HB3 LYS 5 2HB LYS 5 17.935 5.976 1.455 32 HG2 LYS 5 1HG LYS 5 20.071 5.413 2.268 33 HG3 LYS 5 2HG LYS 5 20.102 5.082 0.538 34 HD2 LYS 5 1HD LYS 5 21.394 7.011 0.095 35 HD3 LYS 5 2HD LYS 5 21.097 7.668 1.705 36 HE2 LYS 5 1HE LYS 5 22.667 5.164 1.107 37 HE3 LYS 5 2HE LYS 5 23.369 6.742 1.463 38 HZ1 LYS 5 3HZ LYS 5 23.379 5.502 3.466 39 HZ2 LYS 5 1HZ LYS 5 21.757 5.031 3.281 40 HZ3 LYS 5 2HZ LYS 5 22.141 6.646 3.619 41 HA PRO 6 HA PRO 6 14.751 8.612 -1.342 42 HB2 PRO 6 1HB PRO 6 13.494 6.860 -3.002 43 HB3 PRO 6 2HB PRO 6 14.721 8.007 -3.541 44 HG2 PRO 6 1HG PRO 6 14.885 5.104 -3.307 45 HG3 PRO 6 2HG PRO 6 15.963 6.220 -4.155 46 HD2 PRO 6 1HD PRO 6 16.305 4.981 -1.555 47 HD3 PRO 6 2HD PRO 6 17.462 5.950 -2.485 48 H ASN 7 H ASN 7 13.670 8.560 0.573 49 HA ASN 7 HA ASN 7 12.508 6.124 1.588 50 HB2 ASN 7 1HB ASN 7 13.284 7.870 3.142 51 HB3 ASN 7 2HB ASN 7 12.106 8.994 2.473 52 HD21 ASN 7 2HD2 ASN 7 11.142 9.272 4.489 53 HD22 ASN 7 1HD2 ASN 7 10.144 8.053 5.199 54 H GLN 8 H GLN 8 11.196 5.442 -0.078 55 HA GLN 8 HA GLN 8 8.748 7.013 -0.489 56 HB2 GLN 8 1HB GLN 8 10.291 7.291 -2.414 57 HB3 GLN 8 2HB GLN 8 10.296 5.550 -2.639 58 HG2 GLN 8 1HG GLN 8 7.865 5.635 -3.066 59 HG3 GLN 8 2HG GLN 8 7.938 7.393 -2.941 60 HE21 GLN 8 2HE2 GLN 8 7.171 5.714 -5.200 61 HE22 GLN 8 1HE2 GLN 8 8.223 6.145 -6.499 62 H VAL 9 H VAL 9 7.366 5.760 0.656 63 HA VAL 9 HA VAL 9 7.470 2.867 0.401 64 HB VAL 9 HB VAL 9 5.614 4.621 2.021 65 HG11 VAL 9 1HG1 VAL 9 4.991 2.553 3.182 66 HG12 VAL 9 2HG1 VAL 9 5.984 1.627 2.056 67 HG13 VAL 9 3HG1 VAL 9 4.564 2.495 1.471 68 HG21 VAL 9 3HG2 VAL 9 6.935 3.856 3.938 69 HG22 VAL 9 1HG2 VAL 9 7.924 4.743 2.778 70 HG23 VAL 9 2HG2 VAL 9 8.010 2.983 2.844 71 H THR 10 H THR 10 6.399 1.829 -1.107 72 HA THR 10 HA THR 10 4.392 3.253 -2.679 73 HB THR 10 HB THR 10 5.609 0.536 -3.209 74 HG1 THR 10 HG1 THR 10 7.018 2.590 -3.062 75 HG21 THR 10 3HG2 THR 10 3.559 1.026 -4.466 76 HG22 THR 10 1HG2 THR 10 4.967 0.991 -5.528 77 HG23 THR 10 2HG2 THR 10 4.269 2.536 -5.038 78 H VAL 11 H VAL 11 2.438 3.145 -1.706 79 HA VAL 11 HA VAL 11 1.533 0.659 -0.494 80 HB VAL 11 HB VAL 11 0.116 3.319 -0.763 81 HG11 VAL 11 1HG1 VAL 11 -1.425 2.445 0.930 82 HG12 VAL 11 2HG1 VAL 11 -0.592 0.891 0.879 83 HG13 VAL 11 3HG1 VAL 11 -1.456 1.476 -0.543 84 HG21 VAL 11 3HG2 VAL 11 2.086 3.503 0.642 85 HG22 VAL 11 1HG2 VAL 11 1.570 2.104 1.584 86 HG23 VAL 11 2HG2 VAL 11 0.625 3.592 1.626 87 H ASN 12 H ASN 12 0.796 -0.847 -1.815 88 HA ASN 12 HA ASN 12 -0.526 -0.044 -4.312 89 HB2 ASN 12 1HB ASN 12 0.781 -2.634 -3.464 90 HB3 ASN 12 2HB ASN 12 -0.155 -2.470 -4.944 91 HD21 ASN 12 2HD2 ASN 12 2.666 -3.116 -4.520 92 HD22 ASN 12 1HD2 ASN 12 3.555 -1.945 -5.430 93 H TYR 13 H TYR 13 -2.640 -0.237 -4.487 94 HA TYR 13 HA TYR 13 -4.118 -1.863 -2.563 95 HB2 TYR 13 1HB TYR 13 -5.098 0.089 -4.665 96 HB3 TYR 13 2HB TYR 13 -6.122 -0.749 -3.503 97 HD1 TYR 13 HD2 TYR 13 -5.832 -0.251 -1.051 98 HD2 TYR 13 HD1 TYR 13 -3.971 2.094 -4.072 99 HE1 TYR 13 HE2 TYR 13 -5.502 1.566 0.570 100 HE2 TYR 13 HE1 TYR 13 -3.638 3.916 -2.460 101 HH TYR 13 HH TYR 13 -4.069 3.508 0.896 102 H LEU 14 H LEU 14 -3.898 -3.946 -3.199 103 HA LEU 14 HA LEU 14 -3.943 -4.538 -6.069 104 HB2 LEU 14 1HB LEU 14 -2.984 -6.218 -3.756 105 HB3 LEU 14 2HB LEU 14 -2.831 -6.626 -5.454 106 HG LEU 14 HG LEU 14 -1.470 -4.321 -4.060 107 HD11 LEU 14 1HD1 LEU 14 -0.531 -6.490 -3.466 108 HD12 LEU 14 2HD1 LEU 14 0.576 -5.585 -4.499 109 HD13 LEU 14 3HD1 LEU 14 -0.381 -6.903 -5.173 110 HD21 LEU 14 3HD2 LEU 14 -0.307 -3.992 -6.173 111 HD22 LEU 14 1HD2 LEU 14 -2.049 -3.791 -6.369 112 HD23 LEU 14 2HD2 LEU 14 -1.266 -5.276 -6.909 113 H ASP 15 H ASP 15 -5.098 -6.230 -6.923 114 HA ASP 15 HA ASP 15 -7.375 -7.244 -5.431 115 HB2 ASP 15 1HB ASP 15 -7.470 -6.558 -7.876 116 HB3 ASP 15 2HB ASP 15 -6.461 -7.949 -8.238 117 H GLU 16 H GLU 16 -7.426 -9.881 -6.515 118 HA GLU 16 HA GLU 16 -5.599 -11.102 -4.631 119 HB2 GLU 16 1HB GLU 16 -7.924 -11.856 -4.652 120 HB3 GLU 16 2HB GLU 16 -7.776 -12.323 -6.341 121 HG2 GLU 16 1HG GLU 16 -6.143 -14.019 -5.753 122 HG3 GLU 16 2HG GLU 16 -6.217 -13.526 -4.063 123 H ASN 17 H ASN 17 -6.045 -10.778 -8.063 124 HA ASN 17 HA ASN 17 -3.895 -12.600 -8.718 125 HB2 ASN 17 1HB ASN 17 -4.213 -11.896 -11.006 126 HB3 ASN 17 2HB ASN 17 -5.799 -12.150 -10.287 127 HD21 ASN 17 2HD2 ASN 17 -5.161 -10.593 -12.594 128 HD22 ASN 17 1HD2 ASN 17 -5.634 -8.961 -12.254 129 H ASN 18 H ASN 18 -4.010 -9.864 -7.151 130 HA ASN 18 HA ASN 18 -2.493 -8.439 -6.377 131 HB2 ASN 18 1HB ASN 18 -0.657 -10.230 -7.952 132 HB3 ASN 18 2HB ASN 18 -0.039 -8.792 -7.150 133 HD21 ASN 18 2HD2 ASN 18 1.260 -10.058 -5.825 134 HD22 ASN 18 1HD2 ASN 18 0.607 -10.951 -4.492 135 H THR 19 H THR 19 -3.925 -7.938 -8.941 136 HA THR 19 HA THR 19 -2.103 -5.964 -10.100 137 HB THR 19 HB THR 19 -4.888 -6.783 -10.955 138 HG1 THR 19 HG1 THR 19 -2.298 -7.627 -11.573 139 HG21 THR 19 3HG2 THR 19 -4.435 -5.493 -12.991 140 HG22 THR 19 1HG2 THR 19 -2.890 -4.968 -12.320 141 HG23 THR 19 2HG2 THR 19 -4.399 -4.455 -11.567 142 H SER 20 H SER 20 -2.235 -3.852 -9.652 143 HA SER 20 HA SER 20 -3.743 -3.000 -7.418 144 HB2 SER 20 1HB SER 20 -1.497 -2.092 -8.374 145 HB3 SER 20 2HB SER 20 -2.522 -1.096 -9.405 146 HG SER 20 HG SER 20 -3.212 0.019 -7.692 147 H ILE 21 H ILE 21 -5.865 -2.696 -7.417 148 HA ILE 21 HA ILE 21 -7.292 -2.096 -9.863 149 HB ILE 21 HB ILE 21 -9.326 -2.201 -8.407 150 HG12 ILE 21 1HG1 ILE 21 -7.312 -2.980 -6.282 151 HG13 ILE 21 2HG1 ILE 21 -8.283 -1.511 -6.291 152 HG21 ILE 21 1HG2 ILE 21 -9.206 -4.627 -8.064 153 HG22 ILE 21 2HG2 ILE 21 -7.460 -4.566 -8.298 154 HG23 ILE 21 3HG2 ILE 21 -8.542 -4.149 -9.626 155 HD11 ILE 21 3HD1 ILE 21 -10.311 -2.855 -6.096 156 HD12 ILE 21 1HD1 ILE 21 -9.194 -3.156 -4.764 157 HD13 ILE 21 2HD1 ILE 21 -9.333 -4.324 -6.079 158 H ALA 22 H ALA 22 -6.002 -0.402 -7.209 159 HA ALA 22 HA ALA 22 -7.294 2.071 -8.150 160 HB1 ALA 22 3HB ALA 22 -6.474 1.401 -5.318 161 HB2 ALA 22 1HB ALA 22 -8.128 1.474 -5.925 162 HB3 ALA 22 2HB ALA 22 -7.148 2.938 -5.860 163 HA PRO 23 HA PRO 23 -3.258 3.709 -8.945 164 HB2 PRO 23 1HB PRO 23 -3.936 6.084 -7.299 165 HB3 PRO 23 2HB PRO 23 -3.426 5.994 -8.987 166 HG2 PRO 23 1HG PRO 23 -5.959 6.531 -8.352 167 HG3 PRO 23 2HG PRO 23 -5.561 5.504 -9.744 168 HD2 PRO 23 1HD PRO 23 -6.533 4.725 -7.026 169 HD3 PRO 23 2HD PRO 23 -6.962 4.053 -8.613 170 H SER 24 H SER 24 -1.284 3.540 -8.038 171 HA SER 24 HA SER 24 -1.048 2.608 -5.375 172 HB2 SER 24 1HB SER 24 0.479 1.946 -7.217 173 HB3 SER 24 2HB SER 24 1.133 3.582 -7.235 174 HG SER 24 HG SER 24 1.518 1.518 -5.412 175 H LEU 25 H LEU 25 -0.541 3.619 -3.540 176 HA LEU 25 HA LEU 25 -0.444 6.545 -3.616 177 HB2 LEU 25 1HB LEU 25 -2.180 5.517 -2.238 178 HB3 LEU 25 2HB LEU 25 -0.967 4.619 -1.351 179 HG LEU 25 HG LEU 25 -0.077 6.705 -0.424 180 HD11 LEU 25 1HD1 LEU 25 -0.609 8.205 -2.267 181 HD12 LEU 25 2HD1 LEU 25 -1.281 8.808 -0.751 182 HD13 LEU 25 3HD1 LEU 25 -2.332 8.024 -1.931 183 HD21 LEU 25 3HD2 LEU 25 -2.002 7.254 1.001 184 HD22 LEU 25 1HD2 LEU 25 -1.802 5.513 0.797 185 HD23 LEU 25 2HD2 LEU 25 -3.056 6.366 -0.102 186 H TYR 26 H TYR 26 1.478 7.484 -3.470 187 HA TYR 26 HA TYR 26 3.739 5.902 -2.541 188 HB2 TYR 26 1HB TYR 26 3.727 8.630 -3.852 189 HB3 TYR 26 2HB TYR 26 5.136 7.608 -3.573 190 HD1 TYR 26 HD2 TYR 26 5.106 5.267 -4.696 191 HD2 TYR 26 HD1 TYR 26 2.569 8.475 -5.865 192 HE1 TYR 26 HE2 TYR 26 4.732 4.172 -6.868 193 HE2 TYR 26 HE1 TYR 26 2.184 7.389 -8.035 194 HH TYR 26 HH TYR 26 3.003 4.169 -8.662 195 H LEU 27 H LEU 27 3.899 5.903 -0.431 196 HA LEU 27 HA LEU 27 3.244 8.264 1.138 197 HB2 LEU 27 1HB LEU 27 2.388 6.058 1.797 198 HB3 LEU 27 2HB LEU 27 4.026 5.461 1.948 199 HG LEU 27 HG LEU 27 4.392 7.130 3.780 200 HD11 LEU 27 1HD1 LEU 27 2.428 8.115 4.840 201 HD12 LEU 27 2HD1 LEU 27 1.407 7.476 3.552 202 HD13 LEU 27 3HD1 LEU 27 2.624 8.701 3.188 203 HD21 LEU 27 3HD2 LEU 27 3.162 5.843 5.450 204 HD22 LEU 27 1HD2 LEU 27 3.903 4.792 4.243 205 HD23 LEU 27 2HD2 LEU 27 2.174 5.130 4.175 206 H SER 28 H SER 28 4.800 9.719 1.404 207 HA SER 28 HA SER 28 7.523 8.757 1.961 208 HB2 SER 28 1HB SER 28 8.213 11.023 0.894 209 HB3 SER 28 2HB SER 28 7.753 9.697 -0.172 210 HG SER 28 HG SER 28 6.250 10.941 -0.915 211 H GLY 29 H GLY 29 8.447 9.519 3.766 212 HA2 GLY 29 1HA GLY 29 7.435 11.950 5.013 213 HA3 GLY 29 2HA GLY 29 7.204 10.459 5.915 214 H LEU 30 H LEU 30 8.548 10.941 7.609 215 HA LEU 30 HA LEU 30 11.302 11.730 7.029 216 HB2 LEU 30 1HB LEU 30 9.846 11.407 9.656 217 HB3 LEU 30 2HB LEU 30 11.487 12.000 9.478 218 HG LEU 30 HG LEU 30 9.026 13.361 8.376 219 HD11 LEU 30 1HD1 LEU 30 9.084 13.433 10.808 220 HD12 LEU 30 2HD1 LEU 30 9.422 15.023 10.125 221 HD13 LEU 30 3HD1 LEU 30 10.739 14.040 10.763 222 HD21 LEU 30 3HD2 LEU 30 11.904 14.257 8.500 223 HD22 LEU 30 1HD2 LEU 30 10.544 15.228 7.938 224 HD23 LEU 30 2HD2 LEU 30 11.027 13.786 7.045 225 H PHE 31 H PHE 31 13.100 10.557 7.850 226 HA PHE 31 HA PHE 31 12.872 7.744 7.581 227 HB2 PHE 31 1HB PHE 31 14.917 8.992 6.984 228 HB3 PHE 31 2HB PHE 31 15.165 9.390 8.680 229 HD1 PHE 31 HD2 PHE 31 14.838 6.480 6.385 230 HD2 PHE 31 HD1 PHE 31 16.458 8.010 10.010 231 HE1 PHE 31 HE2 PHE 31 16.135 4.410 6.675 232 HE2 PHE 31 HE1 PHE 31 17.758 5.943 10.305 233 HZ PHE 31 HZ PHE 31 17.597 4.140 8.638 234 H ASN 32 H ASN 32 12.651 6.168 9.059 235 HA ASN 32 HA ASN 32 12.292 5.094 11.023 236 HB2 ASN 32 1HB ASN 32 14.568 6.046 11.554 237 HB3 ASN 32 2HB ASN 32 13.752 7.376 12.368 238 HD21 ASN 32 2HD2 ASN 32 14.616 6.883 14.355 239 HD22 ASN 32 1HD2 ASN 32 14.137 5.492 15.266 240 H GLU 33 H GLU 33 10.529 7.322 10.017 241 HA GLU 33 HA GLU 33 9.170 8.104 12.477 242 HB2 GLU 33 1HB GLU 33 9.314 9.860 10.862 243 HB3 GLU 33 2HB GLU 33 8.737 8.812 9.573 244 HG2 GLU 33 1HG GLU 33 6.546 8.694 10.668 245 HG3 GLU 33 2HG GLU 33 7.130 9.784 11.923 246 H ALA 34 H ALA 34 7.468 7.038 13.267 247 HA ALA 34 HA ALA 34 6.395 4.718 12.045 248 HB1 ALA 34 3HB ALA 34 5.223 6.420 14.247 249 HB2 ALA 34 1HB ALA 34 6.335 5.069 14.467 250 HB3 ALA 34 2HB ALA 34 4.718 4.785 13.823 251 H TYR 35 H TYR 35 5.097 4.648 10.344 252 HA TYR 35 HA TYR 35 3.766 7.113 9.529 253 HB2 TYR 35 1HB TYR 35 3.597 6.093 7.322 254 HB3 TYR 35 2HB TYR 35 5.254 6.030 7.903 255 HD1 TYR 35 HD2 TYR 35 6.273 3.876 8.521 256 HD2 TYR 35 HD1 TYR 35 2.313 4.094 6.986 257 HE1 TYR 35 HE2 TYR 35 6.323 1.458 8.059 258 HE2 TYR 35 HE1 TYR 35 2.352 1.687 6.518 259 HH TYR 35 HH TYR 35 4.676 -0.402 7.769 260 H ASN 36 H ASN 36 1.637 6.935 8.494 261 HA ASN 36 HA ASN 36 -0.036 4.854 9.724 262 HB2 ASN 36 1HB ASN 36 -0.618 7.794 9.346 263 HB3 ASN 36 2HB ASN 36 -1.884 6.612 9.658 264 HD21 ASN 36 2HD2 ASN 36 0.791 8.365 10.985 265 HD22 ASN 36 1HD2 ASN 36 0.518 7.932 12.634 266 H VAL 37 H VAL 37 -1.757 4.074 8.456 267 HA VAL 37 HA VAL 37 -1.398 4.620 5.579 268 HB VAL 37 HB VAL 37 -2.283 2.020 6.844 269 HG11 VAL 37 1HG1 VAL 37 -2.041 1.095 4.592 270 HG12 VAL 37 2HG1 VAL 37 -1.646 2.699 3.976 271 HG13 VAL 37 3HG1 VAL 37 -3.248 2.379 4.638 272 HG21 VAL 37 3HG2 VAL 37 0.070 2.451 7.292 273 HG22 VAL 37 1HG2 VAL 37 0.355 2.751 5.579 274 HG23 VAL 37 2HG2 VAL 37 -0.111 1.141 6.127 275 HA PRO 38 HA PRO 38 -5.712 5.905 5.874 276 HB2 PRO 38 1HB PRO 38 -5.352 6.293 2.977 277 HB3 PRO 38 2HB PRO 38 -5.831 7.461 4.212 278 HG2 PRO 38 1HG PRO 38 -3.415 7.551 3.036 279 HG3 PRO 38 2HG PRO 38 -3.651 8.002 4.736 280 HD2 PRO 38 1HD PRO 38 -2.556 5.467 3.579 281 HD3 PRO 38 2HD PRO 38 -2.017 6.380 5.004 282 H MET 39 H MET 39 -6.996 4.163 6.078 283 HA MET 39 HA MET 39 -6.814 1.945 4.237 284 HB2 MET 39 1HB MET 39 -8.626 2.446 6.600 285 HB3 MET 39 2HB MET 39 -8.646 0.973 5.638 286 HG2 MET 39 1HG MET 39 -6.316 0.549 6.259 287 HG3 MET 39 2HG MET 39 -6.322 2.012 7.243 288 HE1 MET 39 3HE MET 39 -5.463 0.550 9.304 289 HE2 MET 39 1HE MET 39 -5.516 -0.917 8.325 290 HE3 MET 39 2HE MET 39 -6.301 -0.881 9.904 291 H LYS 40 H LYS 40 -7.481 2.758 2.273 292 HA LYS 40 HA LYS 40 -10.106 3.898 1.957 293 HB2 LYS 40 1HB LYS 40 -8.219 2.794 -0.140 294 HB3 LYS 40 2HB LYS 40 -9.642 3.777 -0.448 295 HG2 LYS 40 1HG LYS 40 -8.594 5.642 0.764 296 HG3 LYS 40 2HG LYS 40 -7.153 4.651 1.004 297 HD2 LYS 40 1HD LYS 40 -6.916 4.462 -1.448 298 HD3 LYS 40 2HD LYS 40 -8.310 5.524 -1.645 299 HE2 LYS 40 1HE LYS 40 -7.099 7.288 -0.415 300 HE3 LYS 40 2HE LYS 40 -5.697 6.225 -0.312 301 HZ1 LYS 40 3HZ LYS 40 -6.918 7.275 -2.810 302 HZ2 LYS 40 1HZ LYS 40 -5.606 6.200 -2.749 303 HZ3 LYS 40 2HZ LYS 40 -5.448 7.771 -2.132 304 H LYS 41 H LYS 41 -11.946 2.849 1.209 305 HA LYS 41 HA LYS 41 -11.730 -0.079 1.027 306 HB2 LYS 41 1HB LYS 41 -13.114 0.675 2.923 307 HB3 LYS 41 2HB LYS 41 -14.146 1.563 1.808 308 HG2 LYS 41 1HG LYS 41 -14.852 -0.498 0.753 309 HG3 LYS 41 2HG LYS 41 -13.741 -1.424 1.765 310 HD2 LYS 41 1HD LYS 41 -14.972 -0.661 3.762 311 HD3 LYS 41 2HD LYS 41 -16.110 0.186 2.712 312 HE2 LYS 41 1HE LYS 41 -16.989 -1.983 3.431 313 HE3 LYS 41 2HE LYS 41 -16.759 -1.920 1.685 314 HZ1 LYS 41 3HZ LYS 41 -14.727 -3.074 3.507 315 HZ2 LYS 41 1HZ LYS 41 -14.855 -3.264 1.826 316 HZ3 LYS 41 2HZ LYS 41 -15.985 -4.003 2.855 317 H ILE 42 H ILE 42 -11.760 -0.711 -1.002 318 HA ILE 42 HA ILE 42 -12.872 0.850 -3.108 319 HB ILE 42 HB ILE 42 -12.063 -2.066 -3.175 320 HG12 ILE 42 1HG1 ILE 42 -10.198 -0.676 -2.423 321 HG13 ILE 42 2HG1 ILE 42 -9.907 -1.256 -4.058 322 HG21 ILE 42 1HG2 ILE 42 -11.793 -1.708 -5.583 323 HG22 ILE 42 2HG2 ILE 42 -12.376 -0.054 -5.401 324 HG23 ILE 42 3HG2 ILE 42 -13.453 -1.410 -5.067 325 HD11 ILE 42 3HD1 ILE 42 -9.236 1.058 -3.824 326 HD12 ILE 42 1HD1 ILE 42 -10.863 1.495 -3.300 327 HD13 ILE 42 2HD1 ILE 42 -10.590 0.917 -4.944 328 H LYS 43 H LYS 43 -14.761 0.552 -4.208 329 HA LYS 43 HA LYS 43 -17.002 -0.052 -2.721 330 HB2 LYS 43 1HB LYS 43 -17.043 1.433 -4.627 331 HB3 LYS 43 2HB LYS 43 -16.658 0.106 -5.712 332 HG2 LYS 43 1HG LYS 43 -18.788 -0.893 -5.372 333 HG3 LYS 43 2HG LYS 43 -19.170 0.237 -4.067 334 HD2 LYS 43 1HD LYS 43 -19.123 2.093 -5.642 335 HD3 LYS 43 2HD LYS 43 -18.686 0.990 -6.947 336 HE2 LYS 43 1HE LYS 43 -20.806 -0.143 -6.750 337 HE3 LYS 43 2HE LYS 43 -21.235 0.838 -5.349 338 HZ1 LYS 43 3HZ LYS 43 -22.249 1.588 -7.467 339 HZ2 LYS 43 1HZ LYS 43 -20.699 1.955 -8.046 340 HZ3 LYS 43 2HZ LYS 43 -21.316 2.780 -6.700 341 H GLY 44 H GLY 44 -17.313 -1.990 -1.843 342 HA2 GLY 44 1HA GLY 44 -18.411 -4.054 -1.964 343 HA3 GLY 44 2HA GLY 44 -18.007 -4.155 -3.673 344 H TYR 45 H TYR 45 -15.339 -3.255 -1.853 345 HA TYR 45 HA TYR 45 -14.408 -6.046 -1.789 346 HB2 TYR 45 1HB TYR 45 -12.878 -3.528 -2.455 347 HB3 TYR 45 2HB TYR 45 -12.107 -5.080 -2.142 348 HD1 TYR 45 HD1 TYR 45 -14.441 -3.319 -4.414 349 HD2 TYR 45 HD2 TYR 45 -11.981 -6.737 -3.823 350 HE1 TYR 45 HE1 TYR 45 -14.757 -3.939 -6.768 351 HE2 TYR 45 HE2 TYR 45 -12.286 -7.370 -6.180 352 HH TYR 45 HH TYR 45 -13.605 -5.260 -8.497 353 H THR 46 H THR 46 -13.408 -6.781 -0.039 354 HA THR 46 HA THR 46 -13.149 -4.976 2.279 355 HB THR 46 HB THR 46 -13.394 -7.992 2.348 356 HG1 THR 46 HG1 THR 46 -15.609 -6.451 3.026 357 HG21 THR 46 3HG2 THR 46 -14.130 -7.609 4.650 358 HG22 THR 46 1HG2 THR 46 -13.934 -5.871 4.431 359 HG23 THR 46 2HG2 THR 46 -12.524 -6.931 4.381 360 H LEU 47 H LEU 47 -11.257 -5.488 3.718 361 HA LEU 47 HA LEU 47 -8.894 -5.915 2.183 362 HB2 LEU 47 1HB LEU 47 -8.993 -4.490 4.231 363 HB3 LEU 47 2HB LEU 47 -9.191 -5.947 5.187 364 HG LEU 47 HG LEU 47 -6.972 -6.731 4.329 365 HD11 LEU 47 1HD1 LEU 47 -6.783 -3.907 3.298 366 HD12 LEU 47 2HD1 LEU 47 -6.898 -5.365 2.308 367 HD13 LEU 47 3HD1 LEU 47 -5.480 -5.097 3.322 368 HD21 LEU 47 3HD2 LEU 47 -5.656 -5.258 5.767 369 HD22 LEU 47 1HD2 LEU 47 -7.179 -5.721 6.530 370 HD23 LEU 47 2HD2 LEU 47 -6.998 -4.114 5.822 371 H LEU 48 H LEU 48 -8.136 -7.814 1.528 372 HA LEU 48 HA LEU 48 -9.125 -10.287 2.551 373 HB2 LEU 48 1HB LEU 48 -8.422 -10.139 0.241 374 HB3 LEU 48 2HB LEU 48 -6.809 -9.650 0.718 375 HG LEU 48 HG LEU 48 -6.421 -11.872 1.698 376 HD11 LEU 48 1HD1 LEU 48 -9.152 -12.531 0.610 377 HD12 LEU 48 2HD1 LEU 48 -8.713 -12.415 2.314 378 HD13 LEU 48 3HD1 LEU 48 -8.011 -13.681 1.307 379 HD21 LEU 48 3HD2 LEU 48 -6.329 -13.131 -0.399 380 HD22 LEU 48 1HD2 LEU 48 -5.784 -11.467 -0.615 381 HD23 LEU 48 2HD2 LEU 48 -7.394 -11.944 -1.154 382 H LYS 49 H LYS 49 -5.981 -8.665 2.688 383 HA LYS 49 HA LYS 49 -5.399 -9.272 5.343 384 HB2 LYS 49 1HB LYS 49 -5.348 -11.626 4.371 385 HB3 LYS 49 2HB LYS 49 -3.951 -11.119 3.433 386 HG2 LYS 49 1HG LYS 49 -2.814 -10.556 5.589 387 HG3 LYS 49 2HG LYS 49 -4.175 -11.307 6.426 388 HD2 LYS 49 1HD LYS 49 -3.729 -13.412 5.283 389 HD3 LYS 49 2HD LYS 49 -2.394 -12.664 4.407 390 HE2 LYS 49 1HE LYS 49 -1.347 -12.170 6.641 391 HE3 LYS 49 2HE LYS 49 -2.597 -13.181 7.365 392 HZ1 LYS 49 3HZ LYS 49 -1.834 -15.033 6.008 393 HZ2 LYS 49 1HZ LYS 49 -0.572 -14.434 6.976 394 HZ3 LYS 49 2HZ LYS 49 -0.629 -14.056 5.326 395 H TYR 50 H TYR 50 -3.084 -8.769 5.834 396 HA TYR 50 HA TYR 50 -2.027 -6.880 3.881 397 HB2 TYR 50 1HB TYR 50 -1.702 -7.249 6.820 398 HB3 TYR 50 2HB TYR 50 -0.375 -6.513 5.927 399 HD1 TYR 50 HD2 TYR 50 -1.379 -4.764 4.071 400 HD2 TYR 50 HD1 TYR 50 -3.081 -5.710 7.849 401 HE1 TYR 50 HE2 TYR 50 -2.535 -2.588 4.087 402 HE2 TYR 50 HE1 TYR 50 -4.246 -3.542 7.879 403 HH TYR 50 HH TYR 50 -4.023 -1.320 6.869 404 H ASP 51 H ASP 51 -0.508 -7.484 2.534 405 HA ASP 51 HA ASP 51 1.081 -9.841 3.046 406 HB2 ASP 51 1HB ASP 51 0.324 -9.465 0.768 407 HB3 ASP 51 2HB ASP 51 1.080 -7.875 0.745 408 H SER 52 H SER 52 1.287 -6.460 3.406 409 HA SER 52 HA SER 52 4.092 -6.696 4.263 410 HB2 SER 52 1HB SER 52 2.753 -4.150 3.337 411 HB3 SER 52 2HB SER 52 4.479 -4.457 3.547 412 HG SER 52 HG SER 52 4.288 -6.012 1.820 413 H GLU 53 H GLU 53 4.649 -5.583 6.202 414 HA GLU 53 HA GLU 53 2.432 -5.445 8.062 415 HB2 GLU 53 1HB GLU 53 5.409 -5.146 8.471 416 HB3 GLU 53 2HB GLU 53 4.222 -5.085 9.766 417 HG2 GLU 53 1HG GLU 53 4.823 -7.423 7.974 418 HG3 GLU 53 2HG GLU 53 5.215 -7.267 9.686 419 H ILE 54 H ILE 54 1.423 -3.655 8.641 420 HA ILE 54 HA ILE 54 2.358 -1.111 7.610 421 HB ILE 54 HB ILE 54 0.258 -0.185 8.506 422 HG12 ILE 54 1HG1 ILE 54 -0.328 -3.026 9.376 423 HG13 ILE 54 2HG1 ILE 54 0.067 -1.703 10.467 424 HG21 ILE 54 1HG2 ILE 54 -1.256 -1.402 7.005 425 HG22 ILE 54 2HG2 ILE 54 -0.070 -2.701 6.878 426 HG23 ILE 54 3HG2 ILE 54 0.312 -1.094 6.259 427 HD11 ILE 54 3HD1 ILE 54 -2.320 -2.117 10.419 428 HD12 ILE 54 1HD1 ILE 54 -2.346 -1.857 8.676 429 HD13 ILE 54 2HD1 ILE 54 -1.952 -0.524 9.760 430 H LEU 55 H LEU 55 2.497 -2.864 10.540 431 HA LEU 55 HA LEU 55 2.933 -0.553 12.212 432 HB2 LEU 55 1HB LEU 55 1.937 -2.631 13.113 433 HB3 LEU 55 2HB LEU 55 3.437 -3.478 12.784 434 HG LEU 55 HG LEU 55 4.597 -1.953 14.374 435 HD11 LEU 55 1HD1 LEU 55 3.077 -0.058 14.244 436 HD12 LEU 55 2HD1 LEU 55 3.249 -0.612 15.909 437 HD13 LEU 55 3HD1 LEU 55 1.797 -1.017 14.990 438 HD21 LEU 55 3HD2 LEU 55 2.259 -3.486 15.500 439 HD22 LEU 55 1HD2 LEU 55 3.692 -2.983 16.396 440 HD23 LEU 55 2HD2 LEU 55 3.839 -4.153 15.085 441 H GLY 56 H GLY 56 4.710 0.593 11.759 442 HA2 GLY 56 1HA GLY 56 7.242 -0.219 12.469 443 HA3 GLY 56 2HA GLY 56 7.110 -0.565 10.750 444 H VAL 57 H VAL 57 8.815 0.974 10.471 445 HA VAL 57 HA VAL 57 7.847 3.749 10.495 446 HB VAL 57 HB VAL 57 10.136 4.515 11.024 447 HG11 VAL 57 1HG1 VAL 57 8.514 4.331 12.819 448 HG12 VAL 57 2HG1 VAL 57 10.123 3.909 13.405 449 HG13 VAL 57 3HG1 VAL 57 8.948 2.638 13.064 450 HG21 VAL 57 3HG2 VAL 57 11.390 2.590 10.218 451 HG22 VAL 57 1HG2 VAL 57 10.704 1.588 11.497 452 HG23 VAL 57 2HG2 VAL 57 11.785 2.921 11.905 453 H PHE 58 H PHE 58 9.073 5.153 8.985 454 HA PHE 58 HA PHE 58 9.321 4.071 6.406 455 HB2 PHE 58 1HB PHE 58 10.297 6.655 7.612 456 HB3 PHE 58 2HB PHE 58 10.538 6.258 5.915 457 HD1 PHE 58 HD2 PHE 58 8.516 5.849 4.478 458 HD2 PHE 58 HD1 PHE 58 8.271 7.553 8.365 459 HE1 PHE 58 HE2 PHE 58 6.296 6.756 3.935 460 HE2 PHE 58 HE1 PHE 58 6.052 8.466 7.829 461 HZ PHE 58 HZ PHE 58 5.061 8.068 5.610 462 H THR 59 H THR 59 10.925 3.073 5.396 463 HA THR 59 HA THR 59 13.366 2.533 6.875 464 HB THR 59 HB THR 59 13.705 0.918 4.874 465 HG1 THR 59 HG1 THR 59 12.195 1.462 3.407 466 HG21 THR 59 3HG2 THR 59 11.411 0.531 6.802 467 HG22 THR 59 1HG2 THR 59 13.109 0.184 7.126 468 HG23 THR 59 2HG2 THR 59 12.235 -0.751 5.914 469 H GLU 60 H GLU 60 15.323 2.140 5.273 470 HA GLU 60 HA GLU 60 15.958 4.717 4.137 471 HB2 GLU 60 1HB GLU 60 17.700 3.623 5.353 472 HB3 GLU 60 2HB GLU 60 17.492 2.135 4.441 473 HG2 GLU 60 1HG GLU 60 18.298 3.283 2.426 474 HG3 GLU 60 2HG GLU 60 18.560 4.741 3.383 475 H SER 61 H SER 61 15.195 1.504 3.033 476 HA SER 61 HA SER 61 15.515 2.315 0.241 477 HB2 SER 61 1HB SER 61 14.947 -0.416 1.427 478 HB3 SER 61 2HB SER 61 15.298 -0.074 -0.268 479 HG SER 61 HG SER 61 17.326 0.898 0.642 480 HA PRO 62 HA PRO 62 11.213 3.010 -0.503 481 HB2 PRO 62 1HB PRO 62 10.998 1.510 -2.867 482 HB3 PRO 62 2HB PRO 62 11.409 3.222 -2.750 483 HG2 PRO 62 1HG PRO 62 13.195 0.859 -3.064 484 HG3 PRO 62 2HG PRO 62 13.362 2.495 -3.729 485 HD2 PRO 62 1HD PRO 62 14.844 1.679 -1.654 486 HD3 PRO 62 2HD PRO 62 14.229 3.344 -1.747 487 H GLN 63 H GLN 63 9.954 1.995 0.903 488 HA GLN 63 HA GLN 63 9.822 -0.893 1.029 489 HB2 GLN 63 1HB GLN 63 9.843 0.560 3.062 490 HB3 GLN 63 2HB GLN 63 8.278 1.193 2.582 491 HG2 GLN 63 1HG GLN 63 7.335 -1.071 2.765 492 HG3 GLN 63 2HG GLN 63 8.905 -1.654 3.319 493 HE21 GLN 63 2HE2 GLN 63 9.664 -1.031 5.350 494 HE22 GLN 63 1HE2 GLN 63 8.607 -0.376 6.556 495 H THR 64 H THR 64 7.939 -2.115 0.608 496 HA THR 64 HA THR 64 5.875 -0.672 -0.935 497 HB THR 64 HB THR 64 6.717 -3.557 -1.301 498 HG1 THR 64 HG1 THR 64 8.177 -1.691 -1.999 499 HG21 THR 64 3HG2 THR 64 4.891 -1.790 -2.936 500 HG22 THR 64 1HG2 THR 64 4.384 -3.128 -1.906 501 HG23 THR 64 2HG2 THR 64 5.361 -3.440 -3.341 502 H ILE 65 H ILE 65 3.876 -0.749 -0.132 503 HA ILE 65 HA ILE 65 3.258 -2.802 1.884 504 HB ILE 65 HB ILE 65 1.862 -0.166 1.383 505 HG12 ILE 65 1HG1 ILE 65 3.614 -1.060 3.682 506 HG13 ILE 65 2HG1 ILE 65 4.073 0.094 2.435 507 HG21 ILE 65 1HG2 ILE 65 0.315 -1.884 2.152 508 HG22 ILE 65 2HG2 ILE 65 0.591 -0.686 3.417 509 HG23 ILE 65 3HG2 ILE 65 1.384 -2.258 3.505 510 HD11 ILE 65 3HD1 ILE 65 2.320 1.610 3.197 511 HD12 ILE 65 1HD1 ILE 65 3.453 1.219 4.491 512 HD13 ILE 65 2HD1 ILE 65 1.865 0.452 4.446 513 H ASN 66 H ASN 66 2.361 -4.486 0.901 514 HA ASN 66 HA ASN 66 0.617 -4.087 -1.390 515 HB2 ASN 66 1HB ASN 66 1.654 -6.586 -0.043 516 HB3 ASN 66 2HB ASN 66 0.574 -6.598 -1.434 517 HD21 ASN 66 2HD2 ASN 66 3.377 -7.522 -1.012 518 HD22 ASN 66 1HD2 ASN 66 4.284 -6.766 -2.285 519 H ILE 67 H ILE 67 -1.300 -3.325 -0.793 520 HA ILE 67 HA ILE 67 -2.761 -4.619 1.394 521 HB ILE 67 HB ILE 67 -3.415 -2.126 -0.196 522 HG12 ILE 67 1HG1 ILE 67 -2.373 -2.471 2.623 523 HG13 ILE 67 2HG1 ILE 67 -1.466 -1.839 1.255 524 HG21 ILE 67 1HG2 ILE 67 -4.778 -3.300 2.224 525 HG22 ILE 67 2HG2 ILE 67 -5.432 -3.224 0.588 526 HG23 ILE 67 3HG2 ILE 67 -5.151 -1.738 1.494 527 HD11 ILE 67 3HD1 ILE 67 -3.007 0.064 1.138 528 HD12 ILE 67 1HD1 ILE 67 -2.186 -0.047 2.695 529 HD13 ILE 67 2HD1 ILE 67 -3.866 -0.566 2.545 530 H ILE 68 H ILE 68 -3.812 -6.395 0.726 531 HA ILE 68 HA ILE 68 -4.754 -6.486 -2.056 532 HB ILE 68 HB ILE 68 -4.321 -8.749 -0.089 533 HG12 ILE 68 1HG1 ILE 68 -2.726 -7.906 -2.523 534 HG13 ILE 68 2HG1 ILE 68 -2.238 -7.656 -0.851 535 HG21 ILE 68 1HG2 ILE 68 -6.091 -9.271 -1.680 536 HG22 ILE 68 2HG2 ILE 68 -4.646 -10.222 -2.026 537 HG23 ILE 68 3HG2 ILE 68 -5.037 -8.819 -3.021 538 HD11 ILE 68 3HD1 ILE 68 -1.088 -9.550 -1.841 539 HD12 ILE 68 1HD1 ILE 68 -2.635 -10.321 -2.193 540 HD13 ILE 68 2HD1 ILE 68 -2.136 -10.069 -0.521 541 H TYR 69 H TYR 69 -6.859 -6.631 -2.543 542 HA TYR 69 HA TYR 69 -8.774 -6.597 -0.319 543 HB2 TYR 69 1HB TYR 69 -8.991 -5.674 -3.185 544 HB3 TYR 69 2HB TYR 69 -10.362 -5.735 -2.084 545 HD1 TYR 69 HD1 TYR 69 -7.098 -4.115 -2.709 546 HD2 TYR 69 HD2 TYR 69 -10.711 -4.042 -0.466 547 HE1 TYR 69 HE1 TYR 69 -6.546 -1.858 -1.905 548 HE2 TYR 69 HE2 TYR 69 -10.170 -1.787 0.347 549 HH TYR 69 HH TYR 69 -8.375 -0.296 0.605 550 H GLN 70 H GLN 70 -10.734 -7.745 -0.470 551 HA GLN 70 HA GLN 70 -10.836 -9.911 -2.458 552 HB2 GLN 70 1HB GLN 70 -10.207 -10.928 -0.347 553 HB3 GLN 70 2HB GLN 70 -11.500 -10.080 0.490 554 HG2 GLN 70 1HG GLN 70 -13.156 -11.337 -0.790 555 HG3 GLN 70 2HG GLN 70 -11.860 -12.188 -1.628 556 HE21 GLN 70 2HE2 GLN 70 -10.730 -13.783 -0.577 557 HE22 GLN 70 1HE2 GLN 70 -11.233 -14.439 0.947 558 H LYS 71 H LYS 71 -12.797 -10.177 -3.418 559 HA LYS 71 HA LYS 71 -14.697 -8.049 -3.086 560 HB2 LYS 71 1HB LYS 71 -14.103 -9.136 -5.281 561 HB3 LYS 71 2HB LYS 71 -14.989 -10.557 -4.748 562 HG2 LYS 71 1HG LYS 71 -17.029 -9.199 -4.571 563 HG3 LYS 71 2HG LYS 71 -16.127 -7.801 -5.161 564 HD2 LYS 71 1HD LYS 71 -15.627 -9.042 -7.237 565 HD3 LYS 71 2HD LYS 71 -16.614 -10.381 -6.646 566 HE2 LYS 71 1HE LYS 71 -18.546 -8.827 -6.518 567 HE3 LYS 71 2HE LYS 71 -17.540 -7.573 -7.241 568 HZ1 LYS 71 3HZ LYS 71 -18.896 -8.638 -8.907 569 HZ2 LYS 71 1HZ LYS 71 -18.274 -10.165 -8.497 570 HZ3 LYS 71 2HZ LYS 71 -17.261 -8.992 -9.191 571 H LYS 72 H LYS 72 -16.630 -8.080 -2.052 572 HA LYS 72 HA LYS 72 -17.105 -10.066 -0.079 573 HB2 LYS 72 1HB LYS 72 -19.013 -7.958 -1.107 574 HB3 LYS 72 2HB LYS 72 -19.166 -8.848 0.399 575 HG2 LYS 72 1HG LYS 72 -17.061 -7.819 1.178 576 HG3 LYS 72 2HG LYS 72 -17.019 -6.863 -0.305 577 HD2 LYS 72 1HD LYS 72 -19.204 -6.808 1.778 578 HD3 LYS 72 2HD LYS 72 -17.959 -5.579 1.556 579 HE2 LYS 72 1HE LYS 72 -18.814 -5.077 -0.661 580 HE3 LYS 72 2HE LYS 72 -20.012 -6.363 -0.511 581 HZ1 LYS 72 3HZ LYS 72 -19.865 -3.940 1.207 582 HZ2 LYS 72 1HZ LYS 72 -21.028 -5.168 1.319 583 HZ3 LYS 72 2HZ LYS 72 -20.965 -4.183 -0.057 584 H ALA 73 H ALA 73 -18.292 -9.539 -3.301 585 HA ALA 73 HA ALA 73 -20.544 -11.249 -3.202 586 HB1 ALA 73 3HB ALA 73 -20.270 -9.480 -4.877 587 HB2 ALA 73 1HB ALA 73 -20.536 -11.052 -5.632 588 HB3 ALA 73 2HB ALA 73 -18.915 -10.361 -5.583 589 HA PRO 74 HA PRO 74 -19.038 -15.370 -3.712 590 HB2 PRO 74 1HB PRO 74 -20.194 -16.180 -6.102 591 HB3 PRO 74 2HB PRO 74 -20.980 -16.224 -4.521 592 HG2 PRO 74 1HG PRO 74 -21.192 -14.181 -6.690 593 HG3 PRO 74 2HG PRO 74 -22.458 -14.832 -5.631 594 HD2 PRO 74 1HD PRO 74 -21.405 -12.419 -5.189 595 HD3 PRO 74 2HD PRO 74 -21.816 -13.498 -3.839 596 H GLU 75 H GLU 75 -17.859 -16.875 -5.160 597 HA GLU 75 HA GLU 75 -15.532 -15.745 -6.177 598 HB2 GLU 75 1HB GLU 75 -16.717 -18.420 -6.937 599 HB3 GLU 75 2HB GLU 75 -15.028 -17.952 -7.066 600 HG2 GLU 75 1HG GLU 75 -14.897 -17.763 -4.633 601 HG3 GLU 75 2HG GLU 75 -16.589 -18.247 -4.510 602 H GLN 76 H GLN 76 -18.335 -17.035 -7.908 603 HA GLN 76 HA GLN 76 -17.387 -15.804 -10.394 604 HB2 GLN 76 1HB GLN 76 -19.753 -17.639 -9.929 605 HB3 GLN 76 2HB GLN 76 -19.125 -17.126 -11.490 606 HG2 GLN 76 1HG GLN 76 -17.058 -18.333 -11.074 607 HG3 GLN 76 2HG GLN 76 -17.646 -18.814 -9.484 608 HE21 GLN 76 2HE2 GLN 76 -16.822 -20.464 -11.739 609 HE22 GLN 76 1HE2 GLN 76 -18.186 -21.465 -12.117 610 H ALA 77 H ALA 77 -19.565 -15.072 -11.722 611 HA ALA 77 HA ALA 77 -20.668 -12.867 -10.246 612 HB1 ALA 77 3HB ALA 77 -21.954 -12.416 -12.272 613 HB2 ALA 77 1HB ALA 77 -21.468 -13.975 -12.939 614 HB3 ALA 77 2HB ALA 77 -20.261 -12.720 -12.660 615 H LEU 78 H LEU 78 -21.365 -16.128 -10.523 616 HA LEU 78 HA LEU 78 -24.108 -15.755 -9.522 617 HB2 LEU 78 1HB LEU 78 -22.975 -18.168 -10.945 618 HB3 LEU 78 2HB LEU 78 -24.639 -17.940 -10.442 619 HG LEU 78 HG LEU 78 -23.253 -16.246 -12.522 620 HD11 LEU 78 1HD1 LEU 78 -25.174 -18.544 -12.879 621 HD12 LEU 78 2HD1 LEU 78 -23.456 -18.556 -13.281 622 HD13 LEU 78 3HD1 LEU 78 -24.560 -17.497 -14.160 623 HD21 LEU 78 3HD2 LEU 78 -25.524 -15.512 -13.059 624 HD22 LEU 78 1HD2 LEU 78 -25.096 -15.120 -11.393 625 HD23 LEU 78 2HD2 LEU 78 -26.154 -16.490 -11.733 626 H GLU 79 H GLU 79 -24.626 -16.723 -7.603 627 HA GLU 79 HA GLU 79 -22.563 -17.793 -5.946 628 HB2 GLU 79 1HB GLU 79 -24.779 -16.577 -5.292 629 HB3 GLU 79 2HB GLU 79 -25.509 -18.168 -5.443 630 HG2 GLU 79 1HG GLU 79 -23.097 -17.879 -3.732 631 HG3 GLU 79 2HG GLU 79 -24.631 -17.249 -3.139 632 H HIS 80 H HIS 80 -22.257 -19.979 -5.322 633 HA HIS 80 HA HIS 80 -22.398 -21.755 -7.489 634 HB2 HIS 80 1HB HIS 80 -20.772 -21.779 -5.497 635 HB3 HIS 80 2HB HIS 80 -22.029 -22.666 -4.641 636 HD1 HIS 80 HD1 HIS 80 -19.284 -23.093 -7.016 637 HD2 HIS 80 HD2 HIS 80 -22.664 -25.226 -5.882 638 HE1 HIS 80 HE1 HIS 80 -18.935 -25.425 -7.886 639 HE2 HIS 80 HE2 HIS 80 -21.090 -26.633 -7.376 640 H HIS 81 H HIS 81 -24.466 -21.371 -4.667 641 HA HIS 81 HA HIS 81 -26.147 -23.609 -5.412 642 HB2 HIS 81 1HB HIS 81 -26.697 -21.357 -3.460 643 HB3 HIS 81 2HB HIS 81 -27.646 -22.827 -3.634 644 HD1 HIS 81 HD1 HIS 81 -24.457 -21.515 -2.229 645 HD2 HIS 81 HD2 HIS 81 -26.544 -25.105 -2.433 646 HE1 HIS 81 HE1 HIS 81 -23.344 -23.043 -0.566 647 HE2 HIS 81 HE2 HIS 81 -24.507 -25.261 -0.846 648 H HIS 82 H HIS 82 -27.079 -23.338 -7.374 649 HA HIS 82 HA HIS 82 -28.112 -20.764 -8.168 650 HB2 HIS 82 1HB HIS 82 -28.147 -23.481 -9.478 651 HB3 HIS 82 2HB HIS 82 -28.989 -22.094 -10.166 652 HD1 HIS 82 HD1 HIS 82 -27.633 -21.007 -11.932 653 HD2 HIS 82 HD2 HIS 82 -25.250 -22.608 -8.927 654 HE1 HIS 82 HE1 HIS 82 -25.270 -20.476 -12.590 655 HE2 HIS 82 HE2 HIS 82 -23.860 -21.286 -10.659 656 H HIS 83 H HIS 83 -29.750 -20.083 -7.030 657 HA HIS 83 HA HIS 83 -31.573 -21.729 -5.688 658 HB2 HIS 83 1HB HIS 83 -32.812 -19.650 -5.177 659 HB3 HIS 83 2HB HIS 83 -31.092 -19.531 -4.839 660 HD1 HIS 83 HD1 HIS 83 -33.762 -17.687 -6.314 661 HD2 HIS 83 HD2 HIS 83 -29.709 -18.132 -7.132 662 HE1 HIS 83 HE1 HIS 83 -33.123 -15.685 -7.705 663 HE2 HIS 83 HE2 HIS 83 -30.625 -15.886 -8.020 664 H HIS 84 H HIS 84 -32.727 -23.077 -6.762 665 HA HIS 84 HA HIS 84 -35.170 -22.482 -7.863 666 HB2 HIS 84 1HB HIS 84 -33.789 -21.541 -9.788 667 HB3 HIS 84 2HB HIS 84 -33.256 -23.191 -10.101 668 HD1 HIS 84 HD1 HIS 84 -34.531 -24.130 -12.014 669 HD2 HIS 84 HD2 HIS 84 -36.886 -21.669 -9.626 670 HE1 HIS 84 HE1 HIS 84 -36.823 -24.169 -13.046 671 HE2 HIS 84 HE2 HIS 84 -38.164 -22.505 -11.710 672 H HIS 85 H HIS 85 -32.415 -24.484 -7.542 673 HA HIS 85 HA HIS 85 -33.997 -26.925 -7.839 674 HB2 HIS 85 1HB HIS 85 -31.034 -26.430 -7.533 675 HB3 HIS 85 2HB HIS 85 -31.741 -28.038 -7.429 676 HD1 HIS 85 HD1 HIS 85 -30.894 -25.334 -9.866 677 HD2 HIS 85 HD2 HIS 85 -32.647 -29.104 -9.864 678 HE1 HIS 85 HE1 HIS 85 -30.983 -26.041 -12.272 679 HE2 HIS 85 HE2 HIS 85 -32.294 -28.189 -12.259 Start of MODEL 3 1 H1 MET 1 1H MET 1 14.735 4.945 -12.204 2 H2 MET 1 2H MET 1 14.358 5.148 -13.846 3 H3 MET 1 3H MET 1 15.885 4.569 -13.393 4 HA MET 1 HA MET 1 13.303 3.176 -13.001 5 HB2 MET 1 1HB MET 1 15.609 2.722 -14.893 6 HB3 MET 1 2HB MET 1 14.430 1.473 -14.525 7 HG2 MET 1 1HG MET 1 12.651 2.884 -15.410 8 HG3 MET 1 2HG MET 1 13.829 4.148 -15.764 9 HE1 MET 1 3HE MET 1 12.744 0.440 -16.561 10 HE2 MET 1 1HE MET 1 14.449 0.284 -16.139 11 HE3 MET 1 2HE MET 1 13.920 -0.001 -17.798 12 H ASP 2 H ASP 2 13.971 3.175 -10.729 13 HA ASP 2 HA ASP 2 14.742 2.114 -8.884 14 HB2 ASP 2 1HB ASP 2 13.796 0.136 -9.991 15 HB3 ASP 2 2HB ASP 2 15.326 -0.138 -10.817 16 H PHE 3 H PHE 3 16.435 3.524 -8.481 17 HA PHE 3 HA PHE 3 19.016 2.258 -8.497 18 HB2 PHE 3 1HB PHE 3 18.917 3.365 -10.751 19 HB3 PHE 3 2HB PHE 3 18.755 4.913 -9.928 20 HD1 PHE 3 HD1 PHE 3 21.005 2.043 -10.487 21 HD2 PHE 3 HD2 PHE 3 20.639 6.023 -9.026 22 HE1 PHE 3 HE1 PHE 3 23.455 2.212 -10.342 23 HE2 PHE 3 HE2 PHE 3 23.088 6.196 -8.875 24 HZ PHE 3 HZ PHE 3 24.499 4.290 -9.534 25 H GLY 4 H GLY 4 17.657 5.556 -8.226 26 HA2 GLY 4 1HA GLY 4 19.181 6.193 -5.907 27 HA3 GLY 4 2HA GLY 4 17.809 7.101 -6.526 28 H LYS 5 H LYS 5 18.326 6.678 -3.784 29 HA LYS 5 HA LYS 5 16.254 4.720 -3.029 30 HB2 LYS 5 1HB LYS 5 18.525 5.823 -1.364 31 HB3 LYS 5 2HB LYS 5 17.336 4.647 -0.821 32 HG2 LYS 5 1HG LYS 5 18.146 3.023 -2.401 33 HG3 LYS 5 2HG LYS 5 19.257 4.207 -3.094 34 HD2 LYS 5 1HD LYS 5 20.425 4.351 -0.940 35 HD3 LYS 5 2HD LYS 5 19.327 3.140 -0.273 36 HE2 LYS 5 1HE LYS 5 20.106 1.519 -1.916 37 HE3 LYS 5 2HE LYS 5 21.174 2.730 -2.622 38 HZ1 LYS 5 3HZ LYS 5 22.366 1.244 -1.149 39 HZ2 LYS 5 1HZ LYS 5 21.356 1.666 0.148 40 HZ3 LYS 5 2HZ LYS 5 22.390 2.825 -0.538 41 HA PRO 6 HA PRO 6 14.299 8.631 -1.801 42 HB2 PRO 6 1HB PRO 6 11.849 8.090 -2.734 43 HB3 PRO 6 2HB PRO 6 13.156 8.582 -3.815 44 HG2 PRO 6 1HG PRO 6 11.962 5.899 -3.387 45 HG3 PRO 6 2HG PRO 6 12.681 6.592 -4.850 46 HD2 PRO 6 1HD PRO 6 13.916 4.822 -3.018 47 HD3 PRO 6 2HD PRO 6 14.697 5.687 -4.354 48 H ASN 7 H ASN 7 13.282 9.028 0.096 49 HA ASN 7 HA ASN 7 12.524 6.823 1.779 50 HB2 ASN 7 1HB ASN 7 13.661 8.896 2.629 51 HB3 ASN 7 2HB ASN 7 12.179 9.788 2.297 52 HD21 ASN 7 2HD2 ASN 7 11.924 10.338 4.454 53 HD22 ASN 7 1HD2 ASN 7 11.414 9.185 5.636 54 H GLN 8 H GLN 8 10.856 5.993 0.380 55 HA GLN 8 HA GLN 8 8.274 7.335 0.762 56 HB2 GLN 8 1HB GLN 8 9.363 6.322 -1.868 57 HB3 GLN 8 2HB GLN 8 7.666 6.682 -1.600 58 HG2 GLN 8 1HG GLN 8 8.174 9.004 -1.217 59 HG3 GLN 8 2HG GLN 8 9.904 8.676 -1.326 60 HE21 GLN 8 2HE2 GLN 8 8.169 10.445 -2.927 61 HE22 GLN 8 1HE2 GLN 8 8.393 9.944 -4.563 62 H VAL 9 H VAL 9 6.695 5.988 1.347 63 HA VAL 9 HA VAL 9 7.169 3.107 1.245 64 HB VAL 9 HB VAL 9 4.931 4.700 2.519 65 HG11 VAL 9 1HG1 VAL 9 4.137 2.503 1.837 66 HG12 VAL 9 2HG1 VAL 9 4.274 2.602 3.591 67 HG13 VAL 9 3HG1 VAL 9 5.500 1.743 2.659 68 HG21 VAL 9 3HG2 VAL 9 7.277 3.242 3.732 69 HG22 VAL 9 1HG2 VAL 9 5.975 4.018 4.633 70 HG23 VAL 9 2HG2 VAL 9 7.064 4.991 3.645 71 H THR 10 H THR 10 6.162 1.777 -0.175 72 HA THR 10 HA THR 10 4.499 3.082 -2.205 73 HB THR 10 HB THR 10 5.740 0.333 -2.356 74 HG1 THR 10 HG1 THR 10 6.958 2.726 -2.364 75 HG21 THR 10 3HG2 THR 10 4.766 2.250 -4.481 76 HG22 THR 10 1HG2 THR 10 3.937 0.786 -3.954 77 HG23 THR 10 2HG2 THR 10 5.494 0.671 -4.774 78 H VAL 11 H VAL 11 2.429 3.036 -1.473 79 HA VAL 11 HA VAL 11 1.357 0.612 -0.273 80 HB VAL 11 HB VAL 11 -0.035 3.218 -0.916 81 HG11 VAL 11 1HG1 VAL 11 -1.597 1.363 -0.735 82 HG12 VAL 11 2HG1 VAL 11 -1.756 2.446 0.647 83 HG13 VAL 11 3HG1 VAL 11 -0.904 0.913 0.822 84 HG21 VAL 11 3HG2 VAL 11 0.188 3.701 1.481 85 HG22 VAL 11 1HG2 VAL 11 1.756 3.557 0.686 86 HG23 VAL 11 2HG2 VAL 11 1.145 2.233 1.677 87 H ASN 12 H ASN 12 0.477 -0.960 -1.430 88 HA ASN 12 HA ASN 12 -0.566 -0.306 -4.111 89 HB2 ASN 12 1HB ASN 12 0.861 -2.778 -3.132 90 HB3 ASN 12 2HB ASN 12 -0.077 -2.762 -4.621 91 HD21 ASN 12 2HD2 ASN 12 0.692 0.040 -5.164 92 HD22 ASN 12 1HD2 ASN 12 2.321 -0.042 -5.747 93 H TYR 13 H TYR 13 -2.636 -0.654 -4.442 94 HA TYR 13 HA TYR 13 -4.178 -2.145 -2.448 95 HB2 TYR 13 1HB TYR 13 -5.165 -0.386 -4.712 96 HB3 TYR 13 2HB TYR 13 -6.138 -1.049 -3.407 97 HD1 TYR 13 HD1 TYR 13 -3.392 1.348 -4.143 98 HD2 TYR 13 HD2 TYR 13 -6.375 0.115 -1.370 99 HE1 TYR 13 HE1 TYR 13 -3.006 3.387 -2.830 100 HE2 TYR 13 HE2 TYR 13 -5.993 2.153 -0.050 101 HH TYR 13 HH TYR 13 -4.137 4.775 -1.229 102 H LEU 14 H LEU 14 -4.102 -4.295 -2.980 103 HA LEU 14 HA LEU 14 -4.245 -4.980 -5.841 104 HB2 LEU 14 1HB LEU 14 -3.161 -6.590 -3.531 105 HB3 LEU 14 2HB LEU 14 -3.172 -7.098 -5.208 106 HG LEU 14 HG LEU 14 -1.607 -4.789 -4.053 107 HD11 LEU 14 1HD1 LEU 14 -0.696 -6.967 -3.475 108 HD12 LEU 14 2HD1 LEU 14 0.339 -6.152 -4.646 109 HD13 LEU 14 3HD1 LEU 14 -0.733 -7.451 -5.170 110 HD21 LEU 14 3HD2 LEU 14 -1.732 -5.819 -6.885 111 HD22 LEU 14 1HD2 LEU 14 -0.642 -4.567 -6.288 112 HD23 LEU 14 2HD2 LEU 14 -2.383 -4.286 -6.309 113 H ASP 15 H ASP 15 -5.418 -6.807 -6.510 114 HA ASP 15 HA ASP 15 -7.646 -7.608 -4.751 115 HB2 ASP 15 1HB ASP 15 -8.343 -6.607 -6.861 116 HB3 ASP 15 2HB ASP 15 -7.308 -7.701 -7.766 117 H GLU 16 H GLU 16 -4.781 -8.545 -4.916 118 HA GLU 16 HA GLU 16 -3.644 -10.456 -4.475 119 HB2 GLU 16 1HB GLU 16 -6.010 -11.196 -3.579 120 HB3 GLU 16 2HB GLU 16 -6.006 -12.216 -5.010 121 HG2 GLU 16 1HG GLU 16 -3.558 -12.345 -3.399 122 HG3 GLU 16 2HG GLU 16 -5.011 -12.928 -2.593 123 H ASN 17 H ASN 17 -5.773 -10.401 -7.255 124 HA ASN 17 HA ASN 17 -4.364 -12.351 -8.790 125 HB2 ASN 17 1HB ASN 17 -6.374 -10.224 -9.520 126 HB3 ASN 17 2HB ASN 17 -5.627 -11.253 -10.735 127 HD21 ASN 17 2HD2 ASN 17 -7.998 -11.006 -8.270 128 HD22 ASN 17 1HD2 ASN 17 -8.655 -12.603 -8.452 129 H ASN 18 H ASN 18 -2.901 -9.982 -7.626 130 HA ASN 18 HA ASN 18 -1.075 -8.766 -8.096 131 HB2 ASN 18 1HB ASN 18 -1.223 -10.268 -10.701 132 HB3 ASN 18 2HB ASN 18 -0.018 -9.015 -10.443 133 HD21 ASN 18 2HD2 ASN 18 -1.197 -11.259 -7.997 134 HD22 ASN 18 1HD2 ASN 18 0.299 -12.098 -7.795 135 H THR 19 H THR 19 -3.986 -8.296 -9.520 136 HA THR 19 HA THR 19 -3.263 -6.012 -11.116 137 HB THR 19 HB THR 19 -5.165 -7.364 -11.826 138 HG1 THR 19 HG1 THR 19 -6.272 -5.648 -12.451 139 HG21 THR 19 3HG2 THR 19 -5.943 -8.142 -9.647 140 HG22 THR 19 1HG2 THR 19 -7.258 -7.396 -10.555 141 HG23 THR 19 2HG2 THR 19 -6.477 -6.510 -9.246 142 H SER 20 H SER 20 -3.356 -3.925 -10.529 143 HA SER 20 HA SER 20 -3.873 -3.368 -7.698 144 HB2 SER 20 1HB SER 20 -1.638 -2.792 -8.870 145 HB3 SER 20 2HB SER 20 -2.538 -1.494 -9.653 146 HG SER 20 HG SER 20 -2.736 -0.461 -7.776 147 H ILE 21 H ILE 21 -5.879 -2.701 -7.329 148 HA ILE 21 HA ILE 21 -7.583 -1.721 -9.392 149 HB ILE 21 HB ILE 21 -9.258 -1.412 -7.623 150 HG12 ILE 21 1HG1 ILE 21 -7.050 -2.251 -5.726 151 HG13 ILE 21 2HG1 ILE 21 -7.711 -0.624 -5.849 152 HG21 ILE 21 1HG2 ILE 21 -8.988 -3.602 -8.614 153 HG22 ILE 21 2HG2 ILE 21 -9.372 -3.770 -6.900 154 HG23 ILE 21 3HG2 ILE 21 -7.714 -4.000 -7.461 155 HD11 ILE 21 3HD1 ILE 21 -9.890 -1.461 -5.134 156 HD12 ILE 21 1HD1 ILE 21 -8.632 -1.800 -3.945 157 HD13 ILE 21 2HD1 ILE 21 -9.218 -3.087 -5.000 158 H ALA 22 H ALA 22 -5.414 -0.248 -7.214 159 HA ALA 22 HA ALA 22 -6.223 2.392 -8.211 160 HB1 ALA 22 3HB ALA 22 -7.062 2.214 -5.921 161 HB2 ALA 22 1HB ALA 22 -5.747 3.384 -6.019 162 HB3 ALA 22 2HB ALA 22 -5.450 1.778 -5.356 163 HA PRO 23 HA PRO 23 -1.951 2.830 -9.289 164 HB2 PRO 23 1HB PRO 23 -2.083 5.597 -8.232 165 HB3 PRO 23 2HB PRO 23 -1.666 5.030 -9.853 166 HG2 PRO 23 1HG PRO 23 -4.012 6.213 -9.369 167 HG3 PRO 23 2HG PRO 23 -3.882 4.858 -10.507 168 HD2 PRO 23 1HD PRO 23 -4.899 4.883 -7.694 169 HD3 PRO 23 2HD PRO 23 -5.512 4.001 -9.107 170 H SER 24 H SER 24 0.128 2.963 -8.384 171 HA SER 24 HA SER 24 0.367 2.224 -5.685 172 HB2 SER 24 1HB SER 24 2.837 2.596 -6.099 173 HB3 SER 24 2HB SER 24 2.047 1.512 -7.246 174 HG SER 24 HG SER 24 2.341 4.284 -7.741 175 H LEU 25 H LEU 25 0.153 3.462 -3.963 176 HA LEU 25 HA LEU 25 0.344 6.352 -4.229 177 HB2 LEU 25 1HB LEU 25 -1.590 5.375 -3.080 178 HB3 LEU 25 2HB LEU 25 -0.526 4.612 -1.918 179 HG LEU 25 HG LEU 25 0.183 6.868 -1.146 180 HD11 LEU 25 1HD1 LEU 25 -1.164 8.805 -1.801 181 HD12 LEU 25 2HD1 LEU 25 -2.019 7.807 -2.979 182 HD13 LEU 25 3HD1 LEU 25 -0.295 8.121 -3.174 183 HD21 LEU 25 3HD2 LEU 25 -1.536 5.635 0.040 184 HD22 LEU 25 1HD2 LEU 25 -2.771 6.275 -1.043 185 HD23 LEU 25 2HD2 LEU 25 -1.908 7.359 0.048 186 H TYR 26 H TYR 26 2.236 7.294 -3.914 187 HA TYR 26 HA TYR 26 4.309 5.985 -2.359 188 HB2 TYR 26 1HB TYR 26 4.322 8.625 -3.846 189 HB3 TYR 26 2HB TYR 26 5.725 7.881 -3.089 190 HD1 TYR 26 HD2 TYR 26 6.747 5.876 -4.067 191 HD2 TYR 26 HD1 TYR 26 3.472 7.828 -5.957 192 HE1 TYR 26 HE2 TYR 26 7.239 4.670 -6.152 193 HE2 TYR 26 HE1 TYR 26 3.955 6.625 -8.048 194 HH TYR 26 HH TYR 26 6.145 3.991 -8.200 195 H LEU 27 H LEU 27 3.950 6.114 -0.228 196 HA LEU 27 HA LEU 27 2.886 8.537 0.958 197 HB2 LEU 27 1HB LEU 27 2.616 5.941 1.618 198 HB3 LEU 27 2HB LEU 27 3.974 6.351 2.646 199 HG LEU 27 HG LEU 27 1.286 7.735 2.683 200 HD11 LEU 27 1HD1 LEU 27 1.150 5.458 3.530 201 HD12 LEU 27 2HD1 LEU 27 0.982 6.629 4.839 202 HD13 LEU 27 3HD1 LEU 27 2.506 5.768 4.615 203 HD21 LEU 27 3HD2 LEU 27 2.104 8.798 4.726 204 HD22 LEU 27 1HD2 LEU 27 3.098 9.228 3.335 205 HD23 LEU 27 2HD2 LEU 27 3.677 8.034 4.497 206 H SER 28 H SER 28 4.223 10.189 1.224 207 HA SER 28 HA SER 28 7.065 9.715 1.663 208 HB2 SER 28 1HB SER 28 7.059 12.308 1.358 209 HB3 SER 28 2HB SER 28 6.791 11.277 -0.050 210 HG SER 28 HG SER 28 5.279 13.151 0.413 211 H GLY 29 H GLY 29 8.162 10.403 3.461 212 HA2 GLY 29 1HA GLY 29 6.929 12.050 5.465 213 HA3 GLY 29 2HA GLY 29 7.028 10.358 5.939 214 H LEU 30 H LEU 30 8.425 11.111 7.662 215 HA LEU 30 HA LEU 30 11.125 11.833 6.760 216 HB2 LEU 30 1HB LEU 30 9.928 11.887 9.533 217 HB3 LEU 30 2HB LEU 30 11.551 12.406 9.114 218 HG LEU 30 HG LEU 30 8.975 13.689 8.196 219 HD11 LEU 30 1HD1 LEU 30 9.728 15.587 9.530 220 HD12 LEU 30 2HD1 LEU 30 11.131 14.660 10.062 221 HD13 LEU 30 3HD1 LEU 30 9.509 14.147 10.523 222 HD21 LEU 30 3HD2 LEU 30 10.659 13.813 6.448 223 HD22 LEU 30 1HD2 LEU 30 11.837 14.437 7.603 224 HD23 LEU 30 2HD2 LEU 30 10.417 15.395 7.187 225 H PHE 31 H PHE 31 12.960 10.714 7.686 226 HA PHE 31 HA PHE 31 12.705 7.923 7.457 227 HB2 PHE 31 1HB PHE 31 14.782 9.234 7.013 228 HB3 PHE 31 2HB PHE 31 14.966 9.465 8.748 229 HD1 PHE 31 HD2 PHE 31 14.847 6.892 6.092 230 HD2 PHE 31 HD1 PHE 31 16.019 7.839 10.071 231 HE1 PHE 31 HE2 PHE 31 16.092 4.774 6.226 232 HE2 PHE 31 HE1 PHE 31 17.267 5.725 10.211 233 HZ PHE 31 HZ PHE 31 17.304 4.190 8.286 234 H ASN 32 H ASN 32 12.324 6.348 8.890 235 HA ASN 32 HA ASN 32 11.819 5.256 10.812 236 HB2 ASN 32 1HB ASN 32 13.825 7.215 11.697 237 HB3 ASN 32 2HB ASN 32 12.766 6.627 12.973 238 HD21 ASN 32 2HD2 ASN 32 14.299 5.465 14.027 239 HD22 ASN 32 1HD2 ASN 32 15.019 4.031 13.378 240 H GLU 33 H GLU 33 10.237 7.735 9.850 241 HA GLU 33 HA GLU 33 8.964 8.584 12.304 242 HB2 GLU 33 1HB GLU 33 9.199 10.229 10.575 243 HB3 GLU 33 2HB GLU 33 8.405 9.190 9.402 244 HG2 GLU 33 1HG GLU 33 6.301 9.454 10.483 245 HG3 GLU 33 2HG GLU 33 7.048 10.282 11.850 246 H ALA 34 H ALA 34 7.108 7.867 13.143 247 HA ALA 34 HA ALA 34 6.005 5.403 12.141 248 HB1 ALA 34 3HB ALA 34 5.146 7.118 14.472 249 HB2 ALA 34 1HB ALA 34 6.272 5.763 14.545 250 HB3 ALA 34 2HB ALA 34 4.582 5.483 14.129 251 H TYR 35 H TYR 35 4.314 5.201 10.831 252 HA TYR 35 HA TYR 35 2.504 7.489 10.491 253 HB2 TYR 35 1HB TYR 35 2.516 7.174 8.080 254 HB3 TYR 35 2HB TYR 35 4.163 7.439 8.643 255 HD1 TYR 35 HD2 TYR 35 5.780 5.578 8.667 256 HD2 TYR 35 HD1 TYR 35 1.856 5.075 7.103 257 HE1 TYR 35 HE2 TYR 35 6.495 3.508 7.554 258 HE2 TYR 35 HE1 TYR 35 2.562 3.004 5.984 259 HH TYR 35 HH TYR 35 5.596 1.503 6.642 260 H ASN 36 H ASN 36 0.419 6.939 9.628 261 HA ASN 36 HA ASN 36 -0.315 4.117 9.993 262 HB2 ASN 36 1HB ASN 36 -1.986 6.638 9.946 263 HB3 ASN 36 2HB ASN 36 -2.682 5.021 9.925 264 HD21 ASN 36 2HD2 ASN 36 -0.979 7.387 11.803 265 HD22 ASN 36 1HD2 ASN 36 -1.191 6.617 13.338 266 H VAL 37 H VAL 37 -1.093 2.945 8.292 267 HA VAL 37 HA VAL 37 -0.634 4.098 5.670 268 HB VAL 37 HB VAL 37 0.215 1.848 6.148 269 HG11 VAL 37 1HG1 VAL 37 -2.678 1.051 6.406 270 HG12 VAL 37 2HG1 VAL 37 -1.490 1.104 7.709 271 HG13 VAL 37 3HG1 VAL 37 -1.301 -0.051 6.388 272 HG21 VAL 37 3HG2 VAL 37 -1.964 1.866 4.062 273 HG22 VAL 37 1HG2 VAL 37 -0.654 0.689 4.160 274 HG23 VAL 37 2HG2 VAL 37 -0.292 2.385 3.839 275 HA PRO 38 HA PRO 38 -4.951 5.042 5.095 276 HB2 PRO 38 1HB PRO 38 -4.356 5.343 2.254 277 HB3 PRO 38 2HB PRO 38 -4.839 6.570 3.426 278 HG2 PRO 38 1HG PRO 38 -2.348 6.457 2.357 279 HG3 PRO 38 2HG PRO 38 -2.671 7.079 3.985 280 HD2 PRO 38 1HD PRO 38 -1.610 4.409 3.151 281 HD3 PRO 38 2HD PRO 38 -1.137 5.432 4.525 282 H MET 39 H MET 39 -5.946 3.072 5.384 283 HA MET 39 HA MET 39 -5.916 1.129 3.230 284 HB2 MET 39 1HB MET 39 -7.412 1.161 5.861 285 HB3 MET 39 2HB MET 39 -7.478 -0.155 4.697 286 HG2 MET 39 1HG MET 39 -5.062 -0.491 4.958 287 HG3 MET 39 2HG MET 39 -5.024 0.800 6.157 288 HE1 MET 39 3HE MET 39 -4.487 -2.457 8.290 289 HE2 MET 39 1HE MET 39 -3.835 -0.874 7.869 290 HE3 MET 39 2HE MET 39 -3.897 -2.152 6.656 291 H LYS 40 H LYS 40 -6.763 2.612 1.666 292 HA LYS 40 HA LYS 40 -9.393 3.692 1.972 293 HB2 LYS 40 1HB LYS 40 -7.598 4.709 0.541 294 HB3 LYS 40 2HB LYS 40 -7.801 3.364 -0.576 295 HG2 LYS 40 1HG LYS 40 -10.138 4.015 -0.919 296 HG3 LYS 40 2HG LYS 40 -9.903 5.376 0.181 297 HD2 LYS 40 1HD LYS 40 -8.303 6.372 -1.297 298 HD3 LYS 40 2HD LYS 40 -8.321 4.954 -2.347 299 HE2 LYS 40 1HE LYS 40 -9.642 6.764 -3.302 300 HE3 LYS 40 2HE LYS 40 -10.658 5.383 -2.899 301 HZ1 LYS 40 3HZ LYS 40 -11.315 6.536 -0.853 302 HZ2 LYS 40 1HZ LYS 40 -11.717 7.431 -2.237 303 HZ3 LYS 40 2HZ LYS 40 -10.377 7.875 -1.300 304 H LYS 41 H LYS 41 -11.198 2.589 1.812 305 HA LYS 41 HA LYS 41 -11.128 -0.075 0.636 306 HB2 LYS 41 1HB LYS 41 -12.116 0.231 2.882 307 HB3 LYS 41 2HB LYS 41 -13.330 1.300 2.192 308 HG2 LYS 41 1HG LYS 41 -14.255 -0.504 0.901 309 HG3 LYS 41 2HG LYS 41 -12.970 -1.588 1.429 310 HD2 LYS 41 1HD LYS 41 -14.975 -2.058 2.681 311 HD3 LYS 41 2HD LYS 41 -13.773 -1.349 3.755 312 HE2 LYS 41 1HE LYS 41 -15.775 0.425 2.436 313 HE3 LYS 41 2HE LYS 41 -16.275 -0.558 3.810 314 HZ1 LYS 41 3HZ LYS 41 -15.579 1.616 4.535 315 HZ2 LYS 41 1HZ LYS 41 -14.066 1.428 3.798 316 HZ3 LYS 41 2HZ LYS 41 -14.489 0.452 5.112 317 H ILE 42 H ILE 42 -11.112 0.290 -1.531 318 HA ILE 42 HA ILE 42 -13.030 2.052 -2.777 319 HB ILE 42 HB ILE 42 -11.085 0.125 -4.063 320 HG12 ILE 42 1HG1 ILE 42 -10.814 3.095 -3.540 321 HG13 ILE 42 2HG1 ILE 42 -9.976 1.828 -2.650 322 HG21 ILE 42 1HG2 ILE 42 -12.601 2.467 -5.215 323 HG22 ILE 42 2HG2 ILE 42 -12.906 0.762 -5.549 324 HG23 ILE 42 3HG2 ILE 42 -11.393 1.505 -6.068 325 HD11 ILE 42 3HD1 ILE 42 -8.827 1.160 -4.698 326 HD12 ILE 42 1HD1 ILE 42 -8.522 2.849 -4.291 327 HD13 ILE 42 2HD1 ILE 42 -9.659 2.443 -5.578 328 H LYS 43 H LYS 43 -14.946 1.507 -3.572 329 HA LYS 43 HA LYS 43 -16.797 0.327 -4.110 330 HB2 LYS 43 1HB LYS 43 -14.825 -1.784 -4.985 331 HB3 LYS 43 2HB LYS 43 -16.525 -1.731 -5.424 332 HG2 LYS 43 1HG LYS 43 -16.149 0.386 -6.594 333 HG3 LYS 43 2HG LYS 43 -14.437 0.300 -6.172 334 HD2 LYS 43 1HD LYS 43 -14.311 -1.872 -7.374 335 HD3 LYS 43 2HD LYS 43 -15.981 -1.638 -7.890 336 HE2 LYS 43 1HE LYS 43 -14.410 -0.958 -9.629 337 HE3 LYS 43 2HE LYS 43 -15.352 0.413 -9.042 338 HZ1 LYS 43 3HZ LYS 43 -13.507 1.147 -7.747 339 HZ2 LYS 43 1HZ LYS 43 -12.957 0.891 -9.324 340 HZ3 LYS 43 2HZ LYS 43 -12.607 -0.240 -8.112 341 H GLY 44 H GLY 44 -15.444 -0.099 -1.486 342 HA2 GLY 44 1HA GLY 44 -16.067 -1.173 0.455 343 HA3 GLY 44 2HA GLY 44 -17.300 -2.016 -0.467 344 H TYR 45 H TYR 45 -14.252 -2.412 -1.873 345 HA TYR 45 HA TYR 45 -14.060 -5.138 -1.550 346 HB2 TYR 45 1HB TYR 45 -12.039 -3.006 -2.107 347 HB3 TYR 45 2HB TYR 45 -11.474 -4.638 -1.780 348 HD1 TYR 45 HD1 TYR 45 -14.229 -3.126 -3.830 349 HD2 TYR 45 HD2 TYR 45 -10.924 -5.800 -3.685 350 HE1 TYR 45 HE1 TYR 45 -14.600 -3.705 -6.189 351 HE2 TYR 45 HE2 TYR 45 -11.290 -6.389 -6.045 352 HH TYR 45 HH TYR 45 -13.173 -4.599 -8.116 353 H THR 46 H THR 46 -13.622 -6.444 0.083 354 HA THR 46 HA THR 46 -12.981 -5.268 2.663 355 HB THR 46 HB THR 46 -13.648 -8.140 1.997 356 HG1 THR 46 HG1 THR 46 -15.209 -5.894 2.066 357 HG21 THR 46 3HG2 THR 46 -13.794 -6.588 4.585 358 HG22 THR 46 1HG2 THR 46 -12.594 -7.818 4.184 359 HG23 THR 46 2HG2 THR 46 -14.289 -8.266 4.360 360 H LEU 47 H LEU 47 -11.016 -5.388 3.580 361 HA LEU 47 HA LEU 47 -8.757 -6.319 2.225 362 HB2 LEU 47 1HB LEU 47 -8.615 -4.646 3.985 363 HB3 LEU 47 2HB LEU 47 -9.149 -5.818 5.172 364 HG LEU 47 HG LEU 47 -7.070 -7.117 4.782 365 HD11 LEU 47 1HD1 LEU 47 -6.598 -6.383 2.509 366 HD12 LEU 47 2HD1 LEU 47 -5.226 -6.072 3.574 367 HD13 LEU 47 3HD1 LEU 47 -6.287 -4.748 3.094 368 HD21 LEU 47 3HD2 LEU 47 -5.584 -5.576 5.956 369 HD22 LEU 47 1HD2 LEU 47 -7.216 -5.528 6.625 370 HD23 LEU 47 2HD2 LEU 47 -6.660 -4.235 5.563 371 H LEU 48 H LEU 48 -8.232 -8.315 1.770 372 HA LEU 48 HA LEU 48 -9.218 -10.565 3.258 373 HB2 LEU 48 1HB LEU 48 -8.812 -10.645 0.815 374 HB3 LEU 48 2HB LEU 48 -7.100 -10.412 1.103 375 HG LEU 48 HG LEU 48 -7.068 -12.577 2.346 376 HD11 LEU 48 1HD1 LEU 48 -8.945 -14.109 2.075 377 HD12 LEU 48 2HD1 LEU 48 -9.868 -12.848 1.259 378 HD13 LEU 48 3HD1 LEU 48 -9.433 -12.661 2.957 379 HD21 LEU 48 3HD2 LEU 48 -6.374 -12.436 0.010 380 HD22 LEU 48 1HD2 LEU 48 -8.040 -12.700 -0.507 381 HD23 LEU 48 2HD2 LEU 48 -7.169 -13.974 0.346 382 H LYS 49 H LYS 49 -6.100 -9.026 2.705 383 HA LYS 49 HA LYS 49 -5.028 -9.067 5.196 384 HB2 LYS 49 1HB LYS 49 -5.279 -11.549 5.185 385 HB3 LYS 49 2HB LYS 49 -4.219 -11.624 3.781 386 HG2 LYS 49 1HG LYS 49 -2.436 -10.560 5.143 387 HG3 LYS 49 2HG LYS 49 -3.501 -10.672 6.544 388 HD2 LYS 49 1HD LYS 49 -3.582 -13.128 6.231 389 HD3 LYS 49 2HD LYS 49 -2.417 -12.966 4.912 390 HE2 LYS 49 1HE LYS 49 -1.272 -13.581 6.957 391 HE3 LYS 49 2HE LYS 49 -0.817 -11.946 6.477 392 HZ1 LYS 49 3HZ LYS 49 -2.435 -11.088 8.089 393 HZ2 LYS 49 1HZ LYS 49 -1.241 -12.033 8.835 394 HZ3 LYS 49 2HZ LYS 49 -2.789 -12.671 8.575 395 H TYR 50 H TYR 50 -3.052 -8.085 5.153 396 HA TYR 50 HA TYR 50 -1.727 -7.825 2.570 397 HB2 TYR 50 1HB TYR 50 -0.217 -6.223 3.848 398 HB3 TYR 50 2HB TYR 50 -1.895 -5.730 3.686 399 HD1 TYR 50 HD1 TYR 50 -3.408 -5.836 5.653 400 HD2 TYR 50 HD2 TYR 50 0.754 -6.649 5.983 401 HE1 TYR 50 HE1 TYR 50 -3.548 -5.531 8.091 402 HE2 TYR 50 HE2 TYR 50 0.624 -6.353 8.416 403 HH TYR 50 HH TYR 50 -2.253 -6.290 10.127 404 H ASP 51 H ASP 51 -0.288 -9.310 2.034 405 HA ASP 51 HA ASP 51 0.593 -11.310 3.827 406 HB2 ASP 51 1HB ASP 51 0.332 -11.654 1.386 407 HB3 ASP 51 2HB ASP 51 1.721 -10.612 1.107 408 H SER 52 H SER 52 2.280 -8.572 2.337 409 HA SER 52 HA SER 52 4.533 -8.889 4.127 410 HB2 SER 52 1HB SER 52 4.892 -8.083 1.811 411 HB3 SER 52 2HB SER 52 3.891 -6.674 2.154 412 HG SER 52 HG SER 52 5.575 -5.765 2.983 413 H GLU 53 H GLU 53 4.205 -8.337 6.196 414 HA GLU 53 HA GLU 53 2.098 -6.645 7.024 415 HB2 GLU 53 1HB GLU 53 4.465 -7.723 8.556 416 HB3 GLU 53 2HB GLU 53 3.130 -6.841 9.291 417 HG2 GLU 53 1HG GLU 53 1.593 -8.584 8.340 418 HG3 GLU 53 2HG GLU 53 3.030 -9.502 7.897 419 H ILE 54 H ILE 54 2.288 -4.686 8.259 420 HA ILE 54 HA ILE 54 3.964 -2.890 6.680 421 HB ILE 54 HB ILE 54 1.618 -2.223 8.461 422 HG12 ILE 54 1HG1 ILE 54 1.633 -2.570 5.457 423 HG13 ILE 54 2HG1 ILE 54 1.101 -3.819 6.576 424 HG21 ILE 54 1HG2 ILE 54 2.984 -0.658 6.273 425 HG22 ILE 54 2HG2 ILE 54 3.067 -0.325 8.004 426 HG23 ILE 54 3HG2 ILE 54 1.537 -0.152 7.144 427 HD11 ILE 54 3HD1 ILE 54 -0.780 -2.610 5.649 428 HD12 ILE 54 1HD1 ILE 54 -0.124 -1.091 6.262 429 HD13 ILE 54 2HD1 ILE 54 -0.659 -2.340 7.388 430 H LEU 55 H LEU 55 5.698 -1.979 7.530 431 HA LEU 55 HA LEU 55 5.957 -1.799 10.442 432 HB2 LEU 55 1HB LEU 55 8.019 -1.398 8.267 433 HB3 LEU 55 2HB LEU 55 8.334 -1.312 9.990 434 HG LEU 55 HG LEU 55 7.427 -3.782 8.505 435 HD11 LEU 55 1HD1 LEU 55 10.113 -3.053 9.661 436 HD12 LEU 55 2HD1 LEU 55 9.712 -3.158 7.946 437 HD13 LEU 55 3HD1 LEU 55 9.682 -4.607 8.950 438 HD21 LEU 55 3HD2 LEU 55 7.890 -4.943 10.605 439 HD22 LEU 55 1HD2 LEU 55 6.624 -3.733 10.808 440 HD23 LEU 55 2HD2 LEU 55 8.258 -3.403 11.380 441 H GLY 56 H GLY 56 5.638 0.092 11.427 442 HA2 GLY 56 1HA GLY 56 4.951 2.395 9.830 443 HA3 GLY 56 2HA GLY 56 4.864 2.272 11.579 444 H VAL 57 H VAL 57 7.485 2.049 9.187 445 HA VAL 57 HA VAL 57 8.736 4.427 10.301 446 HB VAL 57 HB VAL 57 10.991 3.214 10.341 447 HG11 VAL 57 1HG1 VAL 57 10.692 2.450 12.654 448 HG12 VAL 57 2HG1 VAL 57 8.942 2.543 12.450 449 HG13 VAL 57 3HG1 VAL 57 9.919 4.008 12.366 450 HG21 VAL 57 3HG2 VAL 57 10.935 0.818 10.842 451 HG22 VAL 57 1HG2 VAL 57 10.295 1.157 9.234 452 HG23 VAL 57 2HG2 VAL 57 9.193 0.800 10.564 453 H PHE 58 H PHE 58 9.278 5.655 8.620 454 HA PHE 58 HA PHE 58 9.446 4.663 5.958 455 HB2 PHE 58 1HB PHE 58 10.254 7.327 7.135 456 HB3 PHE 58 2HB PHE 58 10.268 6.967 5.414 457 HD1 PHE 58 HD1 PHE 58 8.166 6.638 4.203 458 HD2 PHE 58 HD2 PHE 58 8.226 7.782 8.298 459 HE1 PHE 58 HE1 PHE 58 5.819 7.353 4.034 460 HE2 PHE 58 HE2 PHE 58 5.878 8.496 8.141 461 HZ PHE 58 HZ PHE 58 4.672 8.281 6.005 462 H THR 59 H THR 59 11.211 4.160 4.721 463 HA THR 59 HA THR 59 13.862 4.431 5.942 464 HB THR 59 HB THR 59 14.449 2.141 5.107 465 HG1 THR 59 HG1 THR 59 11.770 2.240 4.367 466 HG21 THR 59 3HG2 THR 59 13.375 0.933 6.958 467 HG22 THR 59 1HG2 THR 59 12.255 2.277 7.177 468 HG23 THR 59 2HG2 THR 59 13.978 2.509 7.470 469 H GLU 60 H GLU 60 15.566 3.672 4.205 470 HA GLU 60 HA GLU 60 15.309 5.487 2.026 471 HB2 GLU 60 1HB GLU 60 17.373 3.315 2.403 472 HB3 GLU 60 2HB GLU 60 17.516 4.732 1.377 473 HG2 GLU 60 1HG GLU 60 17.538 6.172 3.325 474 HG3 GLU 60 2HG GLU 60 17.323 4.772 4.378 475 H SER 61 H SER 61 14.623 2.149 2.474 476 HA SER 61 HA SER 61 14.569 1.625 -0.399 477 HB2 SER 61 1HB SER 61 14.050 -0.276 1.903 478 HB3 SER 61 2HB SER 61 14.331 -0.707 0.213 479 HG SER 61 HG SER 61 16.376 0.732 0.811 480 HA PRO 62 HA PRO 62 10.209 2.592 -0.570 481 HB2 PRO 62 1HB PRO 62 10.384 0.763 -2.911 482 HB3 PRO 62 2HB PRO 62 9.711 2.393 -2.804 483 HG2 PRO 62 1HG PRO 62 12.065 1.968 -3.977 484 HG3 PRO 62 2HG PRO 62 11.788 3.407 -2.976 485 HD2 PRO 62 1HD PRO 62 13.294 0.908 -2.334 486 HD3 PRO 62 2HD PRO 62 13.641 2.587 -1.871 487 H GLN 63 H GLN 63 9.005 1.578 0.906 488 HA GLN 63 HA GLN 63 9.133 -1.302 1.198 489 HB2 GLN 63 1HB GLN 63 7.508 0.730 2.742 490 HB3 GLN 63 2HB GLN 63 7.742 -0.956 3.182 491 HG2 GLN 63 1HG GLN 63 10.101 -0.573 3.536 492 HG3 GLN 63 2HG GLN 63 9.934 1.097 2.997 493 HE21 GLN 63 2HE2 GLN 63 10.900 0.083 5.535 494 HE22 GLN 63 1HE2 GLN 63 9.876 0.787 6.741 495 H THR 64 H THR 64 7.932 -2.506 -0.095 496 HA THR 64 HA THR 64 5.585 -1.461 -1.378 497 HB THR 64 HB THR 64 6.624 -4.296 -1.439 498 HG1 THR 64 HG1 THR 64 7.672 -1.992 -2.454 499 HG21 THR 64 3HG2 THR 64 4.347 -4.008 -2.299 500 HG22 THR 64 1HG2 THR 64 5.475 -4.386 -3.602 501 HG23 THR 64 2HG2 THR 64 4.911 -2.731 -3.374 502 H ILE 65 H ILE 65 3.873 -1.197 -0.098 503 HA ILE 65 HA ILE 65 3.144 -3.268 1.827 504 HB ILE 65 HB ILE 65 1.809 -0.606 1.294 505 HG12 ILE 65 1HG1 ILE 65 4.085 -0.267 2.097 506 HG13 ILE 65 2HG1 ILE 65 2.933 0.147 3.361 507 HG21 ILE 65 1HG2 ILE 65 0.326 -2.243 2.321 508 HG22 ILE 65 2HG2 ILE 65 0.731 -0.958 3.457 509 HG23 ILE 65 3HG2 ILE 65 1.512 -2.533 3.591 510 HD11 ILE 65 3HD1 ILE 65 4.509 -2.411 3.176 511 HD12 ILE 65 1HD1 ILE 65 3.354 -2.000 4.444 512 HD13 ILE 65 2HD1 ILE 65 4.835 -1.060 4.261 513 H ASN 66 H ASN 66 2.368 -4.934 0.631 514 HA ASN 66 HA ASN 66 0.487 -4.492 -1.506 515 HB2 ASN 66 1HB ASN 66 1.618 -7.009 -0.277 516 HB3 ASN 66 2HB ASN 66 0.397 -7.032 -1.544 517 HD21 ASN 66 2HD2 ASN 66 3.130 -8.057 -1.570 518 HD22 ASN 66 1HD2 ASN 66 3.920 -7.247 -2.884 519 H ILE 67 H ILE 67 -1.249 -3.505 -0.469 520 HA ILE 67 HA ILE 67 -2.661 -4.936 1.623 521 HB ILE 67 HB ILE 67 -3.510 -2.455 0.109 522 HG12 ILE 67 1HG1 ILE 67 -2.129 -2.718 2.789 523 HG13 ILE 67 2HG1 ILE 67 -1.394 -2.103 1.314 524 HG21 ILE 67 1HG2 ILE 67 -5.368 -3.612 1.164 525 HG22 ILE 67 2HG2 ILE 67 -5.021 -2.105 2.011 526 HG23 ILE 67 3HG2 ILE 67 -4.499 -3.643 2.699 527 HD11 ILE 67 3HD1 ILE 67 -3.691 -0.848 2.796 528 HD12 ILE 67 1HD1 ILE 67 -2.956 -0.230 1.317 529 HD13 ILE 67 2HD1 ILE 67 -2.016 -0.299 2.807 530 H ILE 68 H ILE 68 -3.607 -6.752 0.915 531 HA ILE 68 HA ILE 68 -4.773 -6.813 -1.757 532 HB ILE 68 HB ILE 68 -4.221 -9.031 0.216 533 HG12 ILE 68 1HG1 ILE 68 -2.901 -8.277 -2.403 534 HG13 ILE 68 2HG1 ILE 68 -2.217 -8.031 -0.801 535 HG21 ILE 68 1HG2 ILE 68 -5.294 -9.182 -2.597 536 HG22 ILE 68 2HG2 ILE 68 -6.174 -9.572 -1.119 537 HG23 ILE 68 3HG2 ILE 68 -4.800 -10.560 -1.613 538 HD11 ILE 68 3HD1 ILE 68 -2.145 -10.445 -0.462 539 HD12 ILE 68 1HD1 ILE 68 -1.238 -9.958 -1.893 540 HD13 ILE 68 2HD1 ILE 68 -2.833 -10.689 -2.066 541 H TYR 69 H TYR 69 -6.814 -6.362 -1.995 542 HA TYR 69 HA TYR 69 -8.699 -6.837 0.196 543 HB2 TYR 69 1HB TYR 69 -8.966 -5.252 -2.366 544 HB3 TYR 69 2HB TYR 69 -10.265 -5.474 -1.202 545 HD1 TYR 69 HD2 TYR 69 -9.990 -4.529 1.113 546 HD2 TYR 69 HD1 TYR 69 -7.334 -3.575 -2.067 547 HE1 TYR 69 HE2 TYR 69 -9.240 -2.539 2.347 548 HE2 TYR 69 HE1 TYR 69 -6.573 -1.588 -0.842 549 HH TYR 69 HH TYR 69 -7.532 -0.055 0.945 550 H GLN 70 H GLN 70 -10.839 -7.662 -0.425 551 HA GLN 70 HA GLN 70 -10.788 -9.491 -2.727 552 HB2 GLN 70 1HB GLN 70 -10.459 -10.587 -0.414 553 HB3 GLN 70 2HB GLN 70 -12.130 -10.146 -0.102 554 HG2 GLN 70 1HG GLN 70 -12.073 -12.417 -0.803 555 HG3 GLN 70 2HG GLN 70 -12.792 -11.464 -2.099 556 HE21 GLN 70 2HE2 GLN 70 -11.740 -11.319 -4.056 557 HE22 GLN 70 1HE2 GLN 70 -10.327 -12.230 -4.445 558 H LYS 71 H LYS 71 -12.746 -9.629 -3.832 559 HA LYS 71 HA LYS 71 -14.463 -7.385 -3.666 560 HB2 LYS 71 1HB LYS 71 -15.053 -9.987 -5.085 561 HB3 LYS 71 2HB LYS 71 -15.680 -8.390 -5.473 562 HG2 LYS 71 1HG LYS 71 -13.520 -7.661 -6.215 563 HG3 LYS 71 2HG LYS 71 -12.784 -9.173 -5.678 564 HD2 LYS 71 1HD LYS 71 -14.406 -10.325 -7.276 565 HD3 LYS 71 2HD LYS 71 -14.683 -8.719 -7.958 566 HE2 LYS 71 1HE LYS 71 -12.959 -10.014 -9.174 567 HE3 LYS 71 2HE LYS 71 -12.353 -8.496 -8.512 568 HZ1 LYS 71 3HZ LYS 71 -10.935 -10.571 -8.199 569 HZ2 LYS 71 1HZ LYS 71 -12.067 -11.039 -7.023 570 HZ3 LYS 71 2HZ LYS 71 -11.185 -9.591 -6.845 571 H LYS 72 H LYS 72 -16.568 -7.203 -2.887 572 HA LYS 72 HA LYS 72 -17.365 -9.081 -0.861 573 HB2 LYS 72 1HB LYS 72 -18.871 -6.705 -1.983 574 HB3 LYS 72 2HB LYS 72 -19.321 -7.617 -0.547 575 HG2 LYS 72 1HG LYS 72 -17.081 -6.991 0.407 576 HG3 LYS 72 2HG LYS 72 -16.908 -5.880 -0.948 577 HD2 LYS 72 1HD LYS 72 -19.188 -5.823 1.023 578 HD3 LYS 72 2HD LYS 72 -17.740 -4.826 1.145 579 HE2 LYS 72 1HE LYS 72 -19.235 -3.392 0.130 580 HE3 LYS 72 2HE LYS 72 -18.370 -4.061 -1.249 581 HZ1 LYS 72 3HZ LYS 72 -20.173 -5.366 -1.849 582 HZ2 LYS 72 1HZ LYS 72 -20.907 -3.927 -1.337 583 HZ3 LYS 72 2HZ LYS 72 -20.894 -5.280 -0.316 584 H ALA 73 H ALA 73 -17.644 -8.971 -4.157 585 HA ALA 73 HA ALA 73 -20.117 -10.463 -4.350 586 HB1 ALA 73 3HB ALA 73 -18.019 -9.856 -6.436 587 HB2 ALA 73 1HB ALA 73 -19.488 -8.924 -6.148 588 HB3 ALA 73 2HB ALA 73 -19.599 -10.582 -6.737 589 HA PRO 74 HA PRO 74 -18.381 -14.428 -3.502 590 HB2 PRO 74 1HB PRO 74 -20.151 -15.379 -5.694 591 HB3 PRO 74 2HB PRO 74 -20.032 -15.937 -4.023 592 HG2 PRO 74 1HG PRO 74 -22.087 -14.443 -4.819 593 HG3 PRO 74 2HG PRO 74 -21.359 -14.218 -3.216 594 HD2 PRO 74 1HD PRO 74 -21.065 -12.562 -5.686 595 HD3 PRO 74 2HD PRO 74 -21.154 -12.051 -3.988 596 H GLU 75 H GLU 75 -16.337 -14.753 -4.178 597 HA GLU 75 HA GLU 75 -15.458 -14.635 -6.870 598 HB2 GLU 75 1HB GLU 75 -14.256 -15.968 -4.435 599 HB3 GLU 75 2HB GLU 75 -13.438 -15.845 -5.984 600 HG2 GLU 75 1HG GLU 75 -14.395 -13.459 -4.430 601 HG3 GLU 75 2HG GLU 75 -12.786 -14.151 -4.249 602 H GLN 76 H GLN 76 -14.872 -16.377 -8.254 603 HA GLN 76 HA GLN 76 -16.776 -18.542 -8.150 604 HB2 GLN 76 1HB GLN 76 -14.578 -18.004 -10.155 605 HB3 GLN 76 2HB GLN 76 -15.911 -19.133 -10.354 606 HG2 GLN 76 1HG GLN 76 -17.495 -17.303 -10.361 607 HG3 GLN 76 2HG GLN 76 -16.191 -16.150 -10.077 608 HE21 GLN 76 2HE2 GLN 76 -18.071 -16.296 -12.290 609 HE22 GLN 76 1HE2 GLN 76 -17.118 -16.440 -13.726 610 H ALA 77 H ALA 77 -15.867 -20.782 -8.869 611 HA ALA 77 HA ALA 77 -13.726 -21.535 -7.064 612 HB1 ALA 77 3HB ALA 77 -15.698 -22.979 -7.254 613 HB2 ALA 77 1HB ALA 77 -14.231 -23.827 -7.739 614 HB3 ALA 77 2HB ALA 77 -15.350 -23.229 -8.963 615 H LEU 78 H LEU 78 -11.915 -20.578 -7.931 616 HA LEU 78 HA LEU 78 -11.275 -20.661 -10.694 617 HB2 LEU 78 1HB LEU 78 -9.600 -20.012 -8.273 618 HB3 LEU 78 2HB LEU 78 -8.982 -19.932 -9.909 619 HG LEU 78 HG LEU 78 -9.502 -17.725 -9.389 620 HD11 LEU 78 1HD1 LEU 78 -11.416 -17.124 -10.789 621 HD12 LEU 78 2HD1 LEU 78 -11.913 -18.816 -10.823 622 HD13 LEU 78 3HD1 LEU 78 -10.383 -18.332 -11.554 623 HD21 LEU 78 3HD2 LEU 78 -12.117 -18.670 -8.228 624 HD22 LEU 78 1HD2 LEU 78 -11.596 -16.990 -8.360 625 HD23 LEU 78 2HD2 LEU 78 -10.711 -18.109 -7.323 626 H GLU 79 H GLU 79 -9.989 -21.961 -11.835 627 HA GLU 79 HA GLU 79 -9.341 -24.553 -10.856 628 HB2 GLU 79 1HB GLU 79 -7.857 -24.270 -13.152 629 HB3 GLU 79 2HB GLU 79 -9.509 -24.857 -13.077 630 HG2 GLU 79 1HG GLU 79 -9.380 -23.213 -14.790 631 HG3 GLU 79 2HG GLU 79 -10.296 -22.530 -13.449 632 H HIS 80 H HIS 80 -7.585 -21.558 -11.386 633 HA HIS 80 HA HIS 80 -5.167 -22.700 -10.229 634 HB2 HIS 80 1HB HIS 80 -5.800 -19.868 -11.107 635 HB3 HIS 80 2HB HIS 80 -4.245 -20.398 -10.482 636 HD1 HIS 80 HD1 HIS 80 -5.451 -19.451 -13.522 637 HD2 HIS 80 HD2 HIS 80 -3.657 -22.989 -12.277 638 HE1 HIS 80 HE1 HIS 80 -4.487 -20.487 -15.597 639 HE2 HIS 80 HE2 HIS 80 -3.277 -22.544 -14.799 640 H HIS 81 H HIS 81 -5.835 -23.253 -8.162 641 HA HIS 81 HA HIS 81 -7.367 -21.577 -6.482 642 HB2 HIS 81 1HB HIS 81 -5.577 -23.932 -5.868 643 HB3 HIS 81 2HB HIS 81 -6.536 -23.111 -4.642 644 HD1 HIS 81 HD1 HIS 81 -8.935 -23.796 -4.411 645 HD2 HIS 81 HD2 HIS 81 -7.183 -25.254 -7.896 646 HE1 HIS 81 HE1 HIS 81 -10.631 -25.352 -5.428 647 HE2 HIS 81 HE2 HIS 81 -9.498 -26.337 -7.453 648 H HIS 82 H HIS 82 -3.878 -22.281 -6.504 649 HA HIS 82 HA HIS 82 -3.450 -19.709 -5.153 650 HB2 HIS 82 1HB HIS 82 -1.734 -22.147 -5.530 651 HB3 HIS 82 2HB HIS 82 -0.989 -20.586 -5.198 652 HD1 HIS 82 HD1 HIS 82 -0.350 -20.576 -2.814 653 HD2 HIS 82 HD2 HIS 82 -4.086 -22.307 -3.410 654 HE1 HIS 82 HE1 HIS 82 -1.246 -21.069 -0.516 655 HE2 HIS 82 HE2 HIS 82 -3.606 -21.865 -0.906 656 H HIS 83 H HIS 83 -3.128 -18.021 -6.396 657 HA HIS 83 HA HIS 83 -3.067 -18.240 -9.196 658 HB2 HIS 83 1HB HIS 83 -2.517 -15.896 -7.384 659 HB3 HIS 83 2HB HIS 83 -2.583 -15.766 -9.137 660 HD1 HIS 83 HD1 HIS 83 -4.600 -15.010 -6.439 661 HD2 HIS 83 HD2 HIS 83 -5.276 -17.150 -9.945 662 HE1 HIS 83 HE1 HIS 83 -7.095 -14.998 -6.775 663 HE2 HIS 83 HE2 HIS 83 -7.450 -16.084 -9.026 664 H HIS 84 H HIS 84 -1.515 -18.654 -10.525 665 HA HIS 84 HA HIS 84 1.266 -18.281 -9.690 666 HB2 HIS 84 1HB HIS 84 1.090 -20.461 -10.470 667 HB3 HIS 84 2HB HIS 84 -0.102 -20.040 -11.691 668 HD1 HIS 84 HD1 HIS 84 3.635 -19.673 -11.059 669 HD2 HIS 84 HD2 HIS 84 0.905 -19.716 -14.193 670 HE1 HIS 84 HE1 HIS 84 5.013 -19.650 -13.159 671 HE2 HIS 84 HE2 HIS 84 3.336 -19.467 -15.030 672 H HIS 85 H HIS 85 2.531 -16.803 -10.598 673 HA HIS 85 HA HIS 85 1.552 -15.386 -12.977 674 HB2 HIS 85 1HB HIS 85 1.144 -13.990 -10.981 675 HB3 HIS 85 2HB HIS 85 2.843 -14.123 -10.542 676 HD1 HIS 85 HD1 HIS 85 4.488 -12.589 -11.706 677 HD2 HIS 85 HD2 HIS 85 0.629 -12.326 -13.240 678 HE1 HIS 85 HE1 HIS 85 4.495 -10.582 -13.218 679 HE2 HIS 85 HE2 HIS 85 2.216 -10.568 -14.294 Start of MODEL 4 1 H1 MET 1 1H MET 1 20.458 15.806 13.569 2 H2 MET 1 2H MET 1 20.550 14.122 13.393 3 H3 MET 1 3H MET 1 19.456 14.800 14.498 4 HA MET 1 HA MET 1 18.313 14.051 12.526 5 HB2 MET 1 1HB MET 1 18.495 17.057 12.816 6 HB3 MET 1 2HB MET 1 17.257 16.231 11.884 7 HG2 MET 1 1HG MET 1 16.492 15.103 13.918 8 HG3 MET 1 2HG MET 1 17.720 15.963 14.844 9 HE1 MET 1 3HE MET 1 17.696 18.823 13.481 10 HE2 MET 1 1HE MET 1 17.715 18.595 15.230 11 HE3 MET 1 2HE MET 1 16.537 19.681 14.497 12 H ASP 2 H ASP 2 17.742 15.173 10.259 13 HA ASP 2 HA ASP 2 18.310 15.371 8.083 14 HB2 ASP 2 1HB ASP 2 20.833 16.615 9.200 15 HB3 ASP 2 2HB ASP 2 20.367 16.643 7.502 16 H PHE 3 H PHE 3 18.341 13.069 7.986 17 HA PHE 3 HA PHE 3 20.904 12.067 7.074 18 HB2 PHE 3 1HB PHE 3 20.863 11.523 9.501 19 HB3 PHE 3 2HB PHE 3 19.363 10.634 9.256 20 HD1 PHE 3 HD1 PHE 3 22.955 10.718 8.388 21 HD2 PHE 3 HD2 PHE 3 19.386 8.405 8.510 22 HE1 PHE 3 HE1 PHE 3 24.254 8.694 7.876 23 HE2 PHE 3 HE2 PHE 3 20.679 6.375 7.998 24 HZ PHE 3 HZ PHE 3 23.117 6.518 7.679 25 H GLY 4 H GLY 4 20.677 10.667 5.418 26 HA2 GLY 4 1HA GLY 4 19.648 9.026 4.111 27 HA3 GLY 4 2HA GLY 4 18.186 9.204 5.070 28 H LYS 5 H LYS 5 16.538 10.125 4.105 29 HA LYS 5 HA LYS 5 16.663 12.372 2.388 30 HB2 LYS 5 1HB LYS 5 16.126 11.317 0.262 31 HB3 LYS 5 2HB LYS 5 17.632 10.629 0.860 32 HG2 LYS 5 1HG LYS 5 16.380 8.691 1.715 33 HG3 LYS 5 2HG LYS 5 14.902 9.372 1.037 34 HD2 LYS 5 1HD LYS 5 15.891 9.264 -1.203 35 HD3 LYS 5 2HD LYS 5 17.357 8.559 -0.513 36 HE2 LYS 5 1HE LYS 5 14.587 7.374 -0.501 37 HE3 LYS 5 2HE LYS 5 15.985 6.795 -1.405 38 HZ1 LYS 5 3HZ LYS 5 15.697 5.442 0.528 39 HZ2 LYS 5 1HZ LYS 5 15.653 6.795 1.547 40 HZ3 LYS 5 2HZ LYS 5 17.091 6.380 0.754 41 HA PRO 6 HA PRO 6 12.153 11.922 3.006 42 HB2 PRO 6 1HB PRO 6 11.688 12.441 0.136 43 HB3 PRO 6 2HB PRO 6 11.106 13.335 1.544 44 HG2 PRO 6 1HG PRO 6 13.007 14.332 -0.070 45 HG3 PRO 6 2HG PRO 6 13.017 14.627 1.679 46 HD2 PRO 6 1HD PRO 6 14.650 12.701 0.070 47 HD3 PRO 6 2HD PRO 6 15.133 13.713 1.447 48 H ASN 7 H ASN 7 11.909 9.746 3.350 49 HA ASN 7 HA ASN 7 12.503 7.860 1.245 50 HB2 ASN 7 1HB ASN 7 11.414 7.323 4.013 51 HB3 ASN 7 2HB ASN 7 12.096 6.133 2.909 52 HD21 ASN 7 2HD2 ASN 7 12.716 8.489 5.274 53 HD22 ASN 7 1HD2 ASN 7 14.441 8.362 5.280 54 H GLN 8 H GLN 8 11.059 6.287 0.435 55 HA GLN 8 HA GLN 8 8.285 7.269 0.409 56 HB2 GLN 8 1HB GLN 8 9.265 7.824 -1.688 57 HB3 GLN 8 2HB GLN 8 9.988 6.229 -1.850 58 HG2 GLN 8 1HG GLN 8 7.785 5.240 -2.122 59 HG3 GLN 8 2HG GLN 8 7.036 6.822 -1.905 60 HE21 GLN 8 2HE2 GLN 8 7.038 4.893 -4.157 61 HE22 GLN 8 1HE2 GLN 8 7.560 5.809 -5.537 62 H VAL 9 H VAL 9 6.973 5.902 1.345 63 HA VAL 9 HA VAL 9 7.398 3.017 1.020 64 HB VAL 9 HB VAL 9 5.400 4.461 2.779 65 HG11 VAL 9 1HG1 VAL 9 5.128 2.290 3.872 66 HG12 VAL 9 2HG1 VAL 9 6.234 1.564 2.707 67 HG13 VAL 9 3HG1 VAL 9 4.688 2.216 2.166 68 HG21 VAL 9 3HG2 VAL 9 6.868 3.846 4.648 69 HG22 VAL 9 1HG2 VAL 9 7.670 4.929 3.510 70 HG23 VAL 9 2HG2 VAL 9 8.048 3.206 3.504 71 H THR 10 H THR 10 6.459 2.206 -0.755 72 HA THR 10 HA THR 10 4.224 3.636 -1.951 73 HB THR 10 HB THR 10 5.659 1.210 -3.038 74 HG1 THR 10 HG1 THR 10 7.269 2.556 -3.316 75 HG21 THR 10 3HG2 THR 10 3.489 1.678 -4.067 76 HG22 THR 10 1HG2 THR 10 4.804 2.014 -5.193 77 HG23 THR 10 2HG2 THR 10 3.984 3.343 -4.372 78 H VAL 11 H VAL 11 2.268 3.144 -1.312 79 HA VAL 11 HA VAL 11 1.652 0.493 -0.267 80 HB VAL 11 HB VAL 11 -0.057 2.981 -0.411 81 HG11 VAL 11 1HG1 VAL 11 -1.395 0.949 -0.316 82 HG12 VAL 11 2HG1 VAL 11 -1.505 1.850 1.197 83 HG13 VAL 11 3HG1 VAL 11 -0.490 0.409 1.097 84 HG21 VAL 11 3HG2 VAL 11 1.878 3.309 1.019 85 HG22 VAL 11 1HG2 VAL 11 1.507 1.819 1.888 86 HG23 VAL 11 2HG2 VAL 11 0.408 3.194 1.988 87 H ASN 12 H ASN 12 1.056 -1.003 -1.683 88 HA ASN 12 HA ASN 12 -0.318 -0.159 -4.134 89 HB2 ASN 12 1HB ASN 12 1.329 -2.591 -3.465 90 HB3 ASN 12 2HB ASN 12 0.265 -2.560 -4.867 91 HD21 ASN 12 2HD2 ASN 12 0.778 -1.276 -6.611 92 HD22 ASN 12 1HD2 ASN 12 2.337 -0.547 -6.811 93 H TYR 13 H TYR 13 -2.432 -0.283 -4.024 94 HA TYR 13 HA TYR 13 -3.772 -2.179 -2.309 95 HB2 TYR 13 1HB TYR 13 -4.892 -0.222 -4.331 96 HB3 TYR 13 2HB TYR 13 -5.839 -1.141 -3.166 97 HD1 TYR 13 HD2 TYR 13 -5.684 -0.617 -0.759 98 HD2 TYR 13 HD1 TYR 13 -3.691 1.758 -3.670 99 HE1 TYR 13 HE2 TYR 13 -5.412 1.173 0.899 100 HE2 TYR 13 HE1 TYR 13 -3.414 3.560 -2.018 101 HH TYR 13 HH TYR 13 -4.101 3.098 1.344 102 H LEU 14 H LEU 14 -3.661 -4.228 -2.965 103 HA LEU 14 HA LEU 14 -3.683 -4.782 -5.838 104 HB2 LEU 14 1HB LEU 14 -2.851 -6.511 -3.513 105 HB3 LEU 14 2HB LEU 14 -2.792 -6.996 -5.196 106 HG LEU 14 HG LEU 14 -1.167 -4.801 -3.910 107 HD11 LEU 14 1HD1 LEU 14 -0.423 -7.055 -3.351 108 HD12 LEU 14 2HD1 LEU 14 0.726 -6.250 -4.421 109 HD13 LEU 14 3HD1 LEU 14 -0.375 -7.470 -5.065 110 HD21 LEU 14 3HD2 LEU 14 -0.062 -4.601 -6.082 111 HD22 LEU 14 1HD2 LEU 14 -1.774 -4.197 -6.195 112 HD23 LEU 14 2HD2 LEU 14 -1.196 -5.762 -6.771 113 H ASP 15 H ASP 15 -4.424 -7.229 -6.095 114 HA ASP 15 HA ASP 15 -7.183 -7.432 -5.101 115 HB2 ASP 15 1HB ASP 15 -7.104 -6.468 -7.392 116 HB3 ASP 15 2HB ASP 15 -6.180 -7.858 -7.937 117 H GLU 16 H GLU 16 -7.992 -9.762 -5.780 118 HA GLU 16 HA GLU 16 -6.303 -11.758 -4.715 119 HB2 GLU 16 1HB GLU 16 -8.712 -12.066 -4.715 120 HB3 GLU 16 2HB GLU 16 -8.763 -11.978 -6.471 121 HG2 GLU 16 1HG GLU 16 -7.438 -14.044 -6.591 122 HG3 GLU 16 2HG GLU 16 -7.461 -14.139 -4.832 123 H ASN 17 H ASN 17 -6.963 -10.582 -7.931 124 HA ASN 17 HA ASN 17 -5.162 -12.468 -9.215 125 HB2 ASN 17 1HB ASN 17 -6.596 -10.017 -10.281 126 HB3 ASN 17 2HB ASN 17 -5.678 -11.156 -11.261 127 HD21 ASN 17 2HD2 ASN 17 -8.539 -10.712 -9.301 128 HD22 ASN 17 1HD2 ASN 17 -9.400 -12.093 -9.912 129 H ASN 18 H ASN 18 -4.732 -10.049 -7.222 130 HA ASN 18 HA ASN 18 -3.061 -8.725 -6.580 131 HB2 ASN 18 1HB ASN 18 -1.521 -10.408 -8.557 132 HB3 ASN 18 2HB ASN 18 -0.755 -9.180 -7.555 133 HD21 ASN 18 2HD2 ASN 18 -2.263 -12.295 -7.619 134 HD22 ASN 18 1HD2 ASN 18 -1.837 -12.760 -6.009 135 H THR 19 H THR 19 -4.693 -8.136 -9.092 136 HA THR 19 HA THR 19 -3.005 -6.264 -10.504 137 HB THR 19 HB THR 19 -6.015 -6.529 -10.661 138 HG1 THR 19 HG1 THR 19 -4.090 -8.289 -11.393 139 HG21 THR 19 3HG2 THR 19 -5.702 -5.632 -12.925 140 HG22 THR 19 1HG2 THR 19 -3.966 -5.510 -12.639 141 HG23 THR 19 2HG2 THR 19 -5.086 -4.516 -11.705 142 H SER 20 H SER 20 -2.840 -4.112 -10.065 143 HA SER 20 HA SER 20 -3.756 -3.113 -7.592 144 HB2 SER 20 1HB SER 20 -2.712 -1.583 -9.987 145 HB3 SER 20 2HB SER 20 -2.821 -0.974 -8.334 146 HG SER 20 HG SER 20 -1.508 -3.227 -8.172 147 H ILE 21 H ILE 21 -5.862 -2.904 -7.215 148 HA ILE 21 HA ILE 21 -7.707 -2.061 -9.268 149 HB ILE 21 HB ILE 21 -9.404 -2.158 -7.409 150 HG12 ILE 21 1HG1 ILE 21 -7.048 -3.255 -5.850 151 HG13 ILE 21 2HG1 ILE 21 -7.871 -1.731 -5.532 152 HG21 ILE 21 1HG2 ILE 21 -7.744 -4.624 -7.923 153 HG22 ILE 21 2HG2 ILE 21 -9.068 -4.023 -8.920 154 HG23 ILE 21 3HG2 ILE 21 -9.390 -4.616 -7.291 155 HD11 ILE 21 3HD1 ILE 21 -9.909 -2.940 -4.981 156 HD12 ILE 21 1HD1 ILE 21 -8.559 -3.466 -3.976 157 HD13 ILE 21 2HD1 ILE 21 -9.100 -4.469 -5.322 158 H ALA 22 H ALA 22 -5.789 -0.607 -6.885 159 HA ALA 22 HA ALA 22 -6.949 1.996 -7.563 160 HB1 ALA 22 3HB ALA 22 -7.769 1.436 -5.329 161 HB2 ALA 22 1HB ALA 22 -6.621 2.773 -5.259 162 HB3 ALA 22 2HB ALA 22 -6.116 1.151 -4.785 163 HA PRO 23 HA PRO 23 -2.806 3.005 -8.709 164 HB2 PRO 23 1HB PRO 23 -2.814 5.659 -7.844 165 HB3 PRO 23 2HB PRO 23 -3.357 5.090 -9.425 166 HG2 PRO 23 1HG PRO 23 -4.955 5.748 -6.994 167 HG3 PRO 23 2HG PRO 23 -5.341 6.023 -8.703 168 HD2 PRO 23 1HD PRO 23 -6.478 4.030 -7.323 169 HD3 PRO 23 2HD PRO 23 -6.028 3.832 -9.030 170 H SER 24 H SER 24 -0.847 2.899 -7.755 171 HA SER 24 HA SER 24 -0.643 2.259 -5.049 172 HB2 SER 24 1HB SER 24 1.893 2.703 -5.548 173 HB3 SER 24 2HB SER 24 1.059 1.370 -6.348 174 HG SER 24 HG SER 24 1.476 3.963 -7.442 175 H LEU 25 H LEU 25 -0.416 3.398 -3.275 176 HA LEU 25 HA LEU 25 -0.412 6.302 -3.459 177 HB2 LEU 25 1HB LEU 25 -2.068 5.316 -2.024 178 HB3 LEU 25 2HB LEU 25 -0.859 4.369 -1.185 179 HG LEU 25 HG LEU 25 0.100 6.465 -0.269 180 HD11 LEU 25 1HD1 LEU 25 -0.625 8.001 -2.003 181 HD12 LEU 25 2HD1 LEU 25 -1.212 8.524 -0.425 182 HD13 LEU 25 3HD1 LEU 25 -2.311 7.735 -1.557 183 HD21 LEU 25 3HD2 LEU 25 -1.699 6.870 1.337 184 HD22 LEU 25 1HD2 LEU 25 -1.486 5.148 1.025 185 HD23 LEU 25 2HD2 LEU 25 -2.831 6.018 0.286 186 H TYR 26 H TYR 26 1.387 7.440 -3.248 187 HA TYR 26 HA TYR 26 3.798 6.067 -2.369 188 HB2 TYR 26 1HB TYR 26 3.520 8.828 -3.574 189 HB3 TYR 26 2HB TYR 26 5.010 7.909 -3.373 190 HD1 TYR 26 HD1 TYR 26 5.224 5.703 -4.645 191 HD2 TYR 26 HD2 TYR 26 2.248 8.609 -5.531 192 HE1 TYR 26 HE1 TYR 26 4.910 4.695 -6.863 193 HE2 TYR 26 HE2 TYR 26 1.928 7.609 -7.755 194 HH TYR 26 HH TYR 26 3.051 6.224 -9.336 195 H LEU 27 H LEU 27 3.622 5.987 -0.178 196 HA LEU 27 HA LEU 27 3.104 8.390 1.352 197 HB2 LEU 27 1HB LEU 27 2.244 6.186 2.071 198 HB3 LEU 27 2HB LEU 27 3.889 5.611 2.241 199 HG LEU 27 HG LEU 27 4.230 7.377 4.005 200 HD11 LEU 27 1HD1 LEU 27 2.420 8.876 3.407 201 HD12 LEU 27 2HD1 LEU 27 2.216 8.297 5.061 202 HD13 LEU 27 3HD1 LEU 27 1.235 7.618 3.763 203 HD21 LEU 27 3HD2 LEU 27 3.064 6.102 5.731 204 HD22 LEU 27 1HD2 LEU 27 3.836 5.040 4.554 205 HD23 LEU 27 2HD2 LEU 27 2.094 5.309 4.490 206 H SER 28 H SER 28 4.945 9.507 0.372 207 HA SER 28 HA SER 28 7.541 8.686 1.426 208 HB2 SER 28 1HB SER 28 8.215 10.739 -0.100 209 HB3 SER 28 2HB SER 28 7.873 9.161 -0.806 210 HG SER 28 HG SER 28 6.372 11.524 -0.869 211 H GLY 29 H GLY 29 8.676 9.879 2.882 212 HA2 GLY 29 1HA GLY 29 7.984 12.544 3.592 213 HA3 GLY 29 2HA GLY 29 7.299 11.403 4.736 214 H LEU 30 H LEU 30 8.455 11.391 6.500 215 HA LEU 30 HA LEU 30 11.114 12.436 6.557 216 HB2 LEU 30 1HB LEU 30 9.503 11.163 8.768 217 HB3 LEU 30 2HB LEU 30 10.938 12.148 8.972 218 HG LEU 30 HG LEU 30 8.308 13.127 7.855 219 HD11 LEU 30 1HD1 LEU 30 8.120 14.343 9.974 220 HD12 LEU 30 2HD1 LEU 30 9.580 13.543 10.556 221 HD13 LEU 30 3HD1 LEU 30 8.132 12.596 10.217 222 HD21 LEU 30 3HD2 LEU 30 10.224 14.339 6.956 223 HD22 LEU 30 1HD2 LEU 30 10.826 14.619 8.590 224 HD23 LEU 30 2HD2 LEU 30 9.306 15.349 8.072 225 H PHE 31 H PHE 31 12.342 11.083 8.563 226 HA PHE 31 HA PHE 31 12.690 8.317 7.641 227 HB2 PHE 31 1HB PHE 31 14.544 9.593 6.714 228 HB3 PHE 31 2HB PHE 31 14.871 10.323 8.282 229 HD1 PHE 31 HD1 PHE 31 14.811 7.059 6.512 230 HD2 PHE 31 HD2 PHE 31 16.382 9.333 9.748 231 HE1 PHE 31 HE1 PHE 31 16.380 5.236 7.027 232 HE2 PHE 31 HE2 PHE 31 17.954 7.513 10.269 233 HZ PHE 31 HZ PHE 31 17.953 5.461 8.907 234 H ASN 32 H ASN 32 13.001 6.827 9.267 235 HA ASN 32 HA ASN 32 13.071 5.913 11.351 236 HB2 ASN 32 1HB ASN 32 15.113 7.375 11.554 237 HB3 ASN 32 2HB ASN 32 14.095 8.598 12.303 238 HD21 ASN 32 2HD2 ASN 32 15.145 8.584 14.239 239 HD22 ASN 32 1HD2 ASN 32 15.103 7.245 15.344 240 H GLU 33 H GLU 33 10.862 7.845 10.363 241 HA GLU 33 HA GLU 33 9.571 8.394 12.933 242 HB2 GLU 33 1HB GLU 33 9.734 10.283 11.369 243 HB3 GLU 33 2HB GLU 33 8.890 9.352 10.142 244 HG2 GLU 33 1HG GLU 33 7.421 10.973 11.199 245 HG3 GLU 33 2HG GLU 33 6.884 9.324 11.510 246 H ALA 34 H ALA 34 7.546 7.577 13.416 247 HA ALA 34 HA ALA 34 6.858 5.099 12.087 248 HB1 ALA 34 3HB ALA 34 5.578 6.462 14.458 249 HB2 ALA 34 1HB ALA 34 6.827 5.219 14.533 250 HB3 ALA 34 2HB ALA 34 5.231 4.829 13.891 251 H TYR 35 H TYR 35 5.490 5.013 10.446 252 HA TYR 35 HA TYR 35 3.881 7.378 9.860 253 HB2 TYR 35 1HB TYR 35 3.681 6.464 7.603 254 HB3 TYR 35 2HB TYR 35 5.370 6.528 8.090 255 HD1 TYR 35 HD2 TYR 35 2.527 4.323 7.372 256 HD2 TYR 35 HD1 TYR 35 6.649 4.496 8.407 257 HE1 TYR 35 HE2 TYR 35 2.755 1.947 6.818 258 HE2 TYR 35 HE1 TYR 35 6.890 2.113 7.854 259 HH TYR 35 HH TYR 35 4.558 0.374 6.149 260 H ASN 36 H ASN 36 1.767 6.868 8.694 261 HA ASN 36 HA ASN 36 0.456 4.435 9.629 262 HB2 ASN 36 1HB ASN 36 -0.158 6.249 11.234 263 HB3 ASN 36 2HB ASN 36 -0.806 7.179 9.884 264 HD21 ASN 36 2HD2 ASN 36 -2.859 7.187 10.829 265 HD22 ASN 36 1HD2 ASN 36 -3.870 5.780 10.817 266 H VAL 37 H VAL 37 -1.023 3.640 8.154 267 HA VAL 37 HA VAL 37 -1.014 5.070 5.583 268 HB VAL 37 HB VAL 37 0.348 3.059 5.485 269 HG11 VAL 37 1HG1 VAL 37 -2.141 1.577 6.310 270 HG12 VAL 37 2HG1 VAL 37 -0.674 1.779 7.268 271 HG13 VAL 37 3HG1 VAL 37 -0.631 0.835 5.780 272 HG21 VAL 37 3HG2 VAL 37 -2.255 2.737 4.000 273 HG22 VAL 37 1HG2 VAL 37 -0.740 1.927 3.601 274 HG23 VAL 37 2HG2 VAL 37 -0.861 3.682 3.474 275 HA PRO 38 HA PRO 38 -5.505 4.882 5.798 276 HB2 PRO 38 1HB PRO 38 -5.353 5.636 2.963 277 HB3 PRO 38 2HB PRO 38 -6.087 6.508 4.311 278 HG2 PRO 38 1HG PRO 38 -3.832 7.366 3.114 279 HG3 PRO 38 2HG PRO 38 -4.128 7.600 4.847 280 HD2 PRO 38 1HD PRO 38 -2.418 5.558 3.477 281 HD3 PRO 38 2HD PRO 38 -2.097 6.487 4.956 282 H MET 39 H MET 39 -6.865 3.235 5.305 283 HA MET 39 HA MET 39 -5.723 1.021 3.817 284 HB2 MET 39 1HB MET 39 -8.222 1.270 5.488 285 HB3 MET 39 2HB MET 39 -7.773 -0.198 4.628 286 HG2 MET 39 1HG MET 39 -5.694 -0.305 5.913 287 HG3 MET 39 2HG MET 39 -6.170 1.151 6.788 288 HE1 MET 39 3HE MET 39 -5.756 -0.194 9.063 289 HE2 MET 39 1HE MET 39 -5.344 -1.648 8.153 290 HE3 MET 39 2HE MET 39 -6.542 -1.727 9.446 291 H LYS 40 H LYS 40 -8.506 3.169 3.656 292 HA LYS 40 HA LYS 40 -9.954 3.713 2.005 293 HB2 LYS 40 1HB LYS 40 -7.927 2.390 0.199 294 HB3 LYS 40 2HB LYS 40 -9.305 3.326 -0.358 295 HG2 LYS 40 1HG LYS 40 -8.368 5.280 0.902 296 HG3 LYS 40 2HG LYS 40 -6.917 4.312 1.178 297 HD2 LYS 40 1HD LYS 40 -6.653 4.049 -1.251 298 HD3 LYS 40 2HD LYS 40 -8.079 5.055 -1.505 299 HE2 LYS 40 1HE LYS 40 -6.914 6.897 -0.307 300 HE3 LYS 40 2HE LYS 40 -5.473 5.882 -0.234 301 HZ1 LYS 40 3HZ LYS 40 -6.822 6.789 -2.720 302 HZ2 LYS 40 1HZ LYS 40 -5.433 5.821 -2.652 303 HZ3 LYS 40 2HZ LYS 40 -5.378 7.421 -2.097 304 H LYS 41 H LYS 41 -11.870 2.850 1.574 305 HA LYS 41 HA LYS 41 -11.942 -0.036 0.985 306 HB2 LYS 41 1HB LYS 41 -12.976 0.681 3.188 307 HB3 LYS 41 2HB LYS 41 -14.202 1.515 2.239 308 HG2 LYS 41 1HG LYS 41 -14.804 -0.612 1.171 309 HG3 LYS 41 2HG LYS 41 -13.602 -1.435 2.168 310 HD2 LYS 41 1HD LYS 41 -14.851 -0.488 4.171 311 HD3 LYS 41 2HD LYS 41 -16.136 -0.077 3.030 312 HE2 LYS 41 1HE LYS 41 -16.387 -2.390 2.407 313 HE3 LYS 41 2HE LYS 41 -15.010 -2.847 3.410 314 HZ1 LYS 41 3HZ LYS 41 -17.115 -3.316 4.504 315 HZ2 LYS 41 1HZ LYS 41 -17.553 -1.682 4.403 316 HZ3 LYS 41 2HZ LYS 41 -16.234 -2.146 5.363 317 H ILE 42 H ILE 42 -12.350 -0.364 -1.051 318 HA ILE 42 HA ILE 42 -13.734 1.635 -2.641 319 HB ILE 42 HB ILE 42 -12.665 -0.984 -3.683 320 HG12 ILE 42 1HG1 ILE 42 -11.084 1.555 -3.209 321 HG13 ILE 42 2HG1 ILE 42 -10.894 0.055 -2.308 322 HG21 ILE 42 1HG2 ILE 42 -13.066 1.759 -4.875 323 HG22 ILE 42 2HG2 ILE 42 -13.917 0.270 -5.293 324 HG23 ILE 42 3HG2 ILE 42 -12.210 0.452 -5.690 325 HD11 ILE 42 3HD1 ILE 42 -9.141 0.308 -3.954 326 HD12 ILE 42 1HD1 ILE 42 -10.340 0.450 -5.239 327 HD13 ILE 42 2HD1 ILE 42 -10.168 -1.067 -4.358 328 H LYS 43 H LYS 43 -15.353 0.734 -4.286 329 HA LYS 43 HA LYS 43 -17.665 0.040 -2.999 330 HB2 LYS 43 1HB LYS 43 -17.007 -0.579 -5.879 331 HB3 LYS 43 2HB LYS 43 -18.615 -0.432 -5.190 332 HG2 LYS 43 1HG LYS 43 -18.217 1.934 -4.745 333 HG3 LYS 43 2HG LYS 43 -16.592 1.789 -5.425 334 HD2 LYS 43 1HD LYS 43 -17.573 1.089 -7.570 335 HD3 LYS 43 2HD LYS 43 -19.185 1.285 -6.886 336 HE2 LYS 43 1HE LYS 43 -18.635 3.218 -8.214 337 HE3 LYS 43 2HE LYS 43 -18.702 3.675 -6.514 338 HZ1 LYS 43 3HZ LYS 43 -16.145 2.967 -7.817 339 HZ2 LYS 43 1HZ LYS 43 -16.399 3.863 -6.398 340 HZ3 LYS 43 2HZ LYS 43 -16.773 4.536 -7.910 341 H GLY 44 H GLY 44 -17.687 -1.749 -1.667 342 HA2 GLY 44 1HA GLY 44 -18.305 -3.921 -1.249 343 HA3 GLY 44 2HA GLY 44 -18.444 -4.155 -2.982 344 H TYR 45 H TYR 45 -15.530 -3.193 -1.238 345 HA TYR 45 HA TYR 45 -14.347 -5.765 -2.028 346 HB2 TYR 45 1HB TYR 45 -13.125 -3.032 -1.736 347 HB3 TYR 45 2HB TYR 45 -12.133 -4.488 -1.710 348 HD1 TYR 45 HD2 TYR 45 -12.056 -5.957 -3.717 349 HD2 TYR 45 HD1 TYR 45 -14.013 -2.186 -3.776 350 HE1 TYR 45 HE2 TYR 45 -12.008 -5.979 -6.176 351 HE2 TYR 45 HE1 TYR 45 -13.979 -2.199 -6.233 352 HH TYR 45 HH TYR 45 -12.718 -3.224 -8.056 353 H THR 46 H THR 46 -13.339 -7.010 -0.601 354 HA THR 46 HA THR 46 -13.398 -6.197 2.235 355 HB THR 46 HB THR 46 -13.444 -8.985 1.042 356 HG1 THR 46 HG1 THR 46 -15.403 -7.170 1.535 357 HG21 THR 46 3HG2 THR 46 -12.397 -8.943 3.251 358 HG22 THR 46 1HG2 THR 46 -13.975 -9.728 3.318 359 HG23 THR 46 2HG2 THR 46 -13.787 -8.074 3.904 360 H LEU 47 H LEU 47 -11.531 -6.547 3.485 361 HA LEU 47 HA LEU 47 -9.067 -6.621 2.006 362 HB2 LEU 47 1HB LEU 47 -9.299 -5.207 3.995 363 HB3 LEU 47 2HB LEU 47 -9.558 -6.632 4.985 364 HG LEU 47 HG LEU 47 -7.272 -7.395 4.479 365 HD11 LEU 47 1HD1 LEU 47 -5.705 -5.900 3.364 366 HD12 LEU 47 2HD1 LEU 47 -7.012 -4.761 3.042 367 HD13 LEU 47 3HD1 LEU 47 -7.025 -6.356 2.287 368 HD21 LEU 47 3HD2 LEU 47 -7.651 -6.065 6.476 369 HD22 LEU 47 1HD2 LEU 47 -7.426 -4.582 5.546 370 HD23 LEU 47 2HD2 LEU 47 -6.076 -5.695 5.770 371 H LEU 48 H LEU 48 -8.210 -8.432 1.299 372 HA LEU 48 HA LEU 48 -8.856 -10.984 2.456 373 HB2 LEU 48 1HB LEU 48 -8.496 -10.747 0.045 374 HB3 LEU 48 2HB LEU 48 -6.852 -10.210 0.331 375 HG LEU 48 HG LEU 48 -6.307 -12.432 1.270 376 HD11 LEU 48 1HD1 LEU 48 -9.098 -13.156 0.385 377 HD12 LEU 48 2HD1 LEU 48 -8.528 -13.060 2.052 378 HD13 LEU 48 3HD1 LEU 48 -7.871 -14.283 0.965 379 HD21 LEU 48 3HD2 LEU 48 -5.888 -11.940 -1.084 380 HD22 LEU 48 1HD2 LEU 48 -7.510 -12.497 -1.493 381 HD23 LEU 48 2HD2 LEU 48 -6.323 -13.633 -0.851 382 H LYS 49 H LYS 49 -6.029 -8.883 2.254 383 HA LYS 49 HA LYS 49 -4.982 -9.450 4.757 384 HB2 LYS 49 1HB LYS 49 -4.604 -11.734 4.009 385 HB3 LYS 49 2HB LYS 49 -3.786 -11.162 2.562 386 HG2 LYS 49 1HG LYS 49 -1.971 -10.274 3.912 387 HG3 LYS 49 2HG LYS 49 -2.801 -10.779 5.384 388 HD2 LYS 49 1HD LYS 49 -2.614 -13.105 4.731 389 HD3 LYS 49 2HD LYS 49 -1.885 -12.640 3.192 390 HE2 LYS 49 1HE LYS 49 0.053 -11.770 4.303 391 HE3 LYS 49 2HE LYS 49 -0.696 -11.991 5.883 392 HZ1 LYS 49 3HZ LYS 49 0.913 -13.735 5.382 393 HZ2 LYS 49 1HZ LYS 49 0.026 -14.182 4.008 394 HZ3 LYS 49 2HZ LYS 49 -0.650 -14.372 5.551 395 H TYR 50 H TYR 50 -3.571 -7.846 5.174 396 HA TYR 50 HA TYR 50 -2.165 -6.588 2.955 397 HB2 TYR 50 1HB TYR 50 -1.297 -5.018 4.734 398 HB3 TYR 50 2HB TYR 50 -3.041 -4.996 4.520 399 HD1 TYR 50 HD1 TYR 50 -4.443 -6.372 6.190 400 HD2 TYR 50 HD2 TYR 50 -0.371 -5.337 6.852 401 HE1 TYR 50 HE1 TYR 50 -4.748 -6.745 8.599 402 HE2 TYR 50 HE2 TYR 50 -0.659 -5.711 9.262 403 HH TYR 50 HH TYR 50 -2.425 -5.803 10.933 404 H ASP 51 H ASP 51 -0.484 -7.699 2.268 405 HA ASP 51 HA ASP 51 0.644 -9.827 3.723 406 HB2 ASP 51 1HB ASP 51 0.564 -9.837 1.302 407 HB3 ASP 51 2HB ASP 51 1.620 -8.433 1.229 408 H SER 52 H SER 52 1.996 -6.642 2.899 409 HA SER 52 HA SER 52 4.140 -7.062 4.821 410 HB2 SER 52 1HB SER 52 3.508 -4.649 3.099 411 HB3 SER 52 2HB SER 52 4.968 -4.879 4.060 412 HG SER 52 HG SER 52 4.110 -6.421 1.832 413 H GLU 53 H GLU 53 4.176 -6.201 6.843 414 HA GLU 53 HA GLU 53 1.765 -5.378 8.032 415 HB2 GLU 53 1HB GLU 53 4.611 -5.138 9.008 416 HB3 GLU 53 2HB GLU 53 3.204 -4.761 9.992 417 HG2 GLU 53 1HG GLU 53 2.429 -7.062 9.772 418 HG3 GLU 53 2HG GLU 53 3.834 -7.440 8.776 419 H ILE 54 H ILE 54 0.985 -3.436 8.650 420 HA ILE 54 HA ILE 54 2.006 -1.145 7.177 421 HB ILE 54 HB ILE 54 -0.098 -0.057 7.782 422 HG12 ILE 54 1HG1 ILE 54 -0.747 -2.622 9.258 423 HG13 ILE 54 2HG1 ILE 54 -0.349 -1.088 10.028 424 HG21 ILE 54 1HG2 ILE 54 -1.624 -1.558 6.571 425 HG22 ILE 54 2HG2 ILE 54 -0.460 -2.871 6.755 426 HG23 ILE 54 3HG2 ILE 54 -0.044 -1.451 5.794 427 HD11 ILE 54 3HD1 ILE 54 -2.740 -1.468 10.027 428 HD12 ILE 54 1HD1 ILE 54 -2.733 -1.622 8.271 429 HD13 ILE 54 2HD1 ILE 54 -2.332 -0.077 9.022 430 H LEU 55 H LEU 55 2.868 -2.420 9.949 431 HA LEU 55 HA LEU 55 2.982 0.126 11.418 432 HB2 LEU 55 1HB LEU 55 3.184 -2.691 12.486 433 HB3 LEU 55 2HB LEU 55 3.308 -1.230 13.447 434 HG LEU 55 HG LEU 55 0.850 -2.124 11.934 435 HD11 LEU 55 1HD1 LEU 55 1.330 -3.538 13.863 436 HD12 LEU 55 2HD1 LEU 55 -0.094 -2.538 14.147 437 HD13 LEU 55 3HD1 LEU 55 1.447 -2.110 14.890 438 HD21 LEU 55 3HD2 LEU 55 -0.271 -0.297 13.109 439 HD22 LEU 55 1HD2 LEU 55 1.026 0.309 12.079 440 HD23 LEU 55 2HD2 LEU 55 1.266 0.193 13.822 441 H GLY 56 H GLY 56 4.871 1.063 11.002 442 HA2 GLY 56 1HA GLY 56 7.300 -0.092 11.878 443 HA3 GLY 56 2HA GLY 56 7.206 -0.159 10.124 444 H VAL 57 H VAL 57 9.178 1.234 10.508 445 HA VAL 57 HA VAL 57 8.342 4.051 10.682 446 HB VAL 57 HB VAL 57 10.628 4.606 11.449 447 HG11 VAL 57 1HG1 VAL 57 10.389 3.774 13.743 448 HG12 VAL 57 2HG1 VAL 57 9.181 2.613 13.190 449 HG13 VAL 57 3HG1 VAL 57 8.855 4.345 13.088 450 HG21 VAL 57 3HG2 VAL 57 12.102 2.821 12.275 451 HG22 VAL 57 1HG2 VAL 57 11.833 2.703 10.536 452 HG23 VAL 57 2HG2 VAL 57 10.985 1.615 11.635 453 H PHE 58 H PHE 58 9.487 5.534 9.326 454 HA PHE 58 HA PHE 58 9.879 4.660 6.693 455 HB2 PHE 58 1HB PHE 58 10.641 7.195 8.122 456 HB3 PHE 58 2HB PHE 58 11.043 6.942 6.429 457 HD1 PHE 58 HD1 PHE 58 9.177 6.537 4.795 458 HD2 PHE 58 HD2 PHE 58 8.510 7.915 8.766 459 HE1 PHE 58 HE1 PHE 58 6.958 7.361 4.131 460 HE2 PHE 58 HE2 PHE 58 6.287 8.739 8.109 461 HZ PHE 58 HZ PHE 58 5.508 8.462 5.787 462 H THR 59 H THR 59 11.406 3.314 6.073 463 HA THR 59 HA THR 59 14.145 3.618 7.101 464 HB THR 59 HB THR 59 13.098 1.343 5.411 465 HG1 THR 59 HG1 THR 59 12.129 1.894 7.717 466 HG21 THR 59 3HG2 THR 59 15.527 1.509 5.597 467 HG22 THR 59 1HG2 THR 59 14.930 0.093 6.464 468 HG23 THR 59 2HG2 THR 59 15.399 1.541 7.356 469 H GLU 60 H GLU 60 15.910 3.470 5.469 470 HA GLU 60 HA GLU 60 15.535 5.289 3.354 471 HB2 GLU 60 1HB GLU 60 17.742 3.250 3.308 472 HB3 GLU 60 2HB GLU 60 17.770 4.909 2.739 473 HG2 GLU 60 1HG GLU 60 19.005 5.122 4.627 474 HG3 GLU 60 2HG GLU 60 17.399 5.435 5.290 475 H SER 61 H SER 61 15.525 1.792 3.469 476 HA SER 61 HA SER 61 15.503 1.288 0.702 477 HB2 SER 61 1HB SER 61 14.196 -0.447 2.800 478 HB3 SER 61 2HB SER 61 14.984 -0.950 1.304 479 HG SER 61 HG SER 61 16.962 -0.061 2.259 480 HA PRO 62 HA PRO 62 11.353 2.598 -0.349 481 HB2 PRO 62 1HB PRO 62 11.668 0.653 -2.559 482 HB3 PRO 62 2HB PRO 62 11.302 2.380 -2.625 483 HG2 PRO 62 1HG PRO 62 13.705 1.448 -3.331 484 HG3 PRO 62 2HG PRO 62 13.530 2.992 -2.476 485 HD2 PRO 62 1HD PRO 62 14.369 0.321 -1.418 486 HD3 PRO 62 2HD PRO 62 14.999 1.936 -1.031 487 H GLN 63 H GLN 63 9.753 1.803 0.841 488 HA GLN 63 HA GLN 63 9.485 -1.092 1.130 489 HB2 GLN 63 1HB GLN 63 8.209 1.178 2.668 490 HB3 GLN 63 2HB GLN 63 7.969 -0.533 3.009 491 HG2 GLN 63 1HG GLN 63 10.324 -0.789 3.517 492 HG3 GLN 63 2HG GLN 63 10.612 0.902 3.114 493 HE21 GLN 63 2HE2 GLN 63 11.083 -0.557 5.585 494 HE22 GLN 63 1HE2 GLN 63 10.194 0.286 6.812 495 H THR 64 H THR 64 7.522 -2.151 0.798 496 HA THR 64 HA THR 64 5.514 -0.658 -0.754 497 HB THR 64 HB THR 64 6.565 -3.431 -1.369 498 HG1 THR 64 HG1 THR 64 6.601 -1.289 -3.200 499 HG21 THR 64 3HG2 THR 64 4.162 -3.271 -1.789 500 HG22 THR 64 1HG2 THR 64 5.062 -3.373 -3.301 501 HG23 THR 64 2HG2 THR 64 4.422 -1.822 -2.760 502 H ILE 65 H ILE 65 3.783 -0.622 0.562 503 HA ILE 65 HA ILE 65 3.140 -2.975 2.159 504 HB ILE 65 HB ILE 65 1.590 -0.381 1.982 505 HG12 ILE 65 1HG1 ILE 65 3.629 -1.256 4.046 506 HG13 ILE 65 2HG1 ILE 65 3.894 -0.020 2.821 507 HG21 ILE 65 1HG2 ILE 65 0.288 -2.286 2.790 508 HG22 ILE 65 2HG2 ILE 65 0.589 -1.138 4.093 509 HG23 ILE 65 3HG2 ILE 65 1.522 -2.631 4.001 510 HD11 ILE 65 3HD1 ILE 65 3.401 0.966 4.981 511 HD12 ILE 65 1HD1 ILE 65 1.867 0.098 5.040 512 HD13 ILE 65 2HD1 ILE 65 2.131 1.340 3.815 513 H ASN 66 H ASN 66 2.505 -4.496 0.738 514 HA ASN 66 HA ASN 66 0.573 -3.869 -1.315 515 HB2 ASN 66 1HB ASN 66 0.801 -6.318 -1.882 516 HB3 ASN 66 2HB ASN 66 2.283 -5.379 -1.996 517 HD21 ASN 66 2HD2 ASN 66 2.058 -8.212 -1.740 518 HD22 ASN 66 1HD2 ASN 66 2.842 -8.662 -0.262 519 H ILE 67 H ILE 67 -1.298 -3.369 -0.400 520 HA ILE 67 HA ILE 67 -2.520 -5.149 1.566 521 HB ILE 67 HB ILE 67 -3.546 -2.540 0.419 522 HG12 ILE 67 1HG1 ILE 67 -2.152 -3.076 3.054 523 HG13 ILE 67 2HG1 ILE 67 -1.438 -2.249 1.673 524 HG21 ILE 67 1HG2 ILE 67 -5.061 -2.558 2.352 525 HG22 ILE 67 2HG2 ILE 67 -4.446 -4.148 2.804 526 HG23 ILE 67 3HG2 ILE 67 -5.323 -3.941 1.289 527 HD11 ILE 67 3HD1 ILE 67 -3.805 -1.299 3.270 528 HD12 ILE 67 1HD1 ILE 67 -3.091 -0.468 1.888 529 HD13 ILE 67 2HD1 ILE 67 -2.159 -0.674 3.371 530 H ILE 68 H ILE 68 -3.786 -6.775 0.867 531 HA ILE 68 HA ILE 68 -4.607 -6.713 -1.947 532 HB ILE 68 HB ILE 68 -4.420 -9.054 -0.047 533 HG12 ILE 68 1HG1 ILE 68 -2.636 -8.242 -2.354 534 HG13 ILE 68 2HG1 ILE 68 -2.235 -8.057 -0.651 535 HG21 ILE 68 1HG2 ILE 68 -4.736 -10.445 -2.031 536 HG22 ILE 68 2HG2 ILE 68 -4.942 -8.998 -3.018 537 HG23 ILE 68 3HG2 ILE 68 -6.123 -9.388 -1.768 538 HD11 ILE 68 3HD1 ILE 68 -2.708 -10.665 -2.074 539 HD12 ILE 68 1HD1 ILE 68 -2.284 -10.475 -0.373 540 HD13 ILE 68 2HD1 ILE 68 -1.139 -9.994 -1.626 541 H TYR 69 H TYR 69 -6.632 -6.297 -2.441 542 HA TYR 69 HA TYR 69 -8.738 -6.953 -0.488 543 HB2 TYR 69 1HB TYR 69 -8.617 -4.830 -2.630 544 HB3 TYR 69 2HB TYR 69 -10.122 -5.304 -1.853 545 HD1 TYR 69 HD1 TYR 69 -10.356 -4.985 0.629 546 HD2 TYR 69 HD2 TYR 69 -7.138 -3.309 -1.591 547 HE1 TYR 69 HE1 TYR 69 -9.935 -3.396 2.455 548 HE2 TYR 69 HE2 TYR 69 -6.704 -1.717 0.233 549 HH TYR 69 HH TYR 69 -7.955 -0.682 2.103 550 H GLN 70 H GLN 70 -10.771 -7.693 -1.373 551 HA GLN 70 HA GLN 70 -10.770 -8.613 -4.132 552 HB2 GLN 70 1HB GLN 70 -11.482 -10.881 -3.533 553 HB3 GLN 70 2HB GLN 70 -9.879 -10.540 -2.903 554 HG2 GLN 70 1HG GLN 70 -10.853 -10.119 -0.691 555 HG3 GLN 70 2HG GLN 70 -12.448 -10.511 -1.335 556 HE21 GLN 70 2HE2 GLN 70 -12.733 -12.248 0.037 557 HE22 GLN 70 1HE2 GLN 70 -11.858 -13.732 -0.138 558 H LYS 71 H LYS 71 -12.973 -9.245 -4.821 559 HA LYS 71 HA LYS 71 -14.871 -7.399 -3.741 560 HB2 LYS 71 1HB LYS 71 -15.023 -9.458 -5.932 561 HB3 LYS 71 2HB LYS 71 -16.428 -8.522 -5.436 562 HG2 LYS 71 1HG LYS 71 -15.218 -6.452 -5.967 563 HG3 LYS 71 2HG LYS 71 -13.839 -7.414 -6.502 564 HD2 LYS 71 1HD LYS 71 -15.106 -8.364 -8.294 565 HD3 LYS 71 2HD LYS 71 -16.602 -7.655 -7.681 566 HE2 LYS 71 1HE LYS 71 -14.222 -6.105 -8.700 567 HE3 LYS 71 2HE LYS 71 -15.701 -6.415 -9.608 568 HZ1 LYS 71 3HZ LYS 71 -15.474 -4.850 -7.095 569 HZ2 LYS 71 1HZ LYS 71 -16.935 -5.221 -7.868 570 HZ3 LYS 71 2HZ LYS 71 -15.791 -4.234 -8.637 571 H LYS 72 H LYS 72 -16.878 -7.850 -2.802 572 HA LYS 72 HA LYS 72 -16.832 -10.087 -0.995 573 HB2 LYS 72 1HB LYS 72 -19.107 -8.153 -1.444 574 HB3 LYS 72 2HB LYS 72 -18.824 -9.153 -0.026 575 HG2 LYS 72 1HG LYS 72 -16.674 -7.859 0.284 576 HG3 LYS 72 2HG LYS 72 -17.285 -6.745 -0.936 577 HD2 LYS 72 1HD LYS 72 -18.660 -7.431 1.663 578 HD3 LYS 72 2HD LYS 72 -17.730 -5.969 1.357 579 HE2 LYS 72 1HE LYS 72 -19.926 -5.273 1.064 580 HE3 LYS 72 2HE LYS 72 -19.381 -5.582 -0.583 581 HZ1 LYS 72 3HZ LYS 72 -21.654 -6.470 0.134 582 HZ2 LYS 72 1HZ LYS 72 -20.791 -7.664 0.970 583 HZ3 LYS 72 2HZ LYS 72 -20.632 -7.520 -0.717 584 H ALA 73 H ALA 73 -17.469 -10.103 -4.112 585 HA ALA 73 HA ALA 73 -19.330 -12.329 -3.907 586 HB1 ALA 73 3HB ALA 73 -19.849 -9.981 -5.736 587 HB2 ALA 73 1HB ALA 73 -20.772 -10.378 -4.285 588 HB3 ALA 73 2HB ALA 73 -20.786 -11.473 -5.668 589 HA PRO 74 HA PRO 74 -16.455 -13.920 -6.899 590 HB2 PRO 74 1HB PRO 74 -18.564 -15.834 -7.635 591 HB3 PRO 74 2HB PRO 74 -16.978 -16.135 -6.920 592 HG2 PRO 74 1HG PRO 74 -19.242 -16.437 -5.510 593 HG3 PRO 74 2HG PRO 74 -17.747 -15.842 -4.764 594 HD2 PRO 74 1HD PRO 74 -20.154 -14.303 -5.676 595 HD3 PRO 74 2HD PRO 74 -19.191 -14.112 -4.194 596 H GLU 75 H GLU 75 -19.486 -12.581 -7.628 597 HA GLU 75 HA GLU 75 -19.354 -12.942 -10.476 598 HB2 GLU 75 1HB GLU 75 -21.502 -12.605 -9.235 599 HB3 GLU 75 2HB GLU 75 -21.000 -10.952 -8.902 600 HG2 GLU 75 1HG GLU 75 -20.943 -10.480 -11.293 601 HG3 GLU 75 2HG GLU 75 -21.438 -12.138 -11.633 602 H GLN 76 H GLN 76 -17.591 -12.097 -11.385 603 HA GLN 76 HA GLN 76 -16.518 -9.573 -10.439 604 HB2 GLN 76 1HB GLN 76 -15.463 -11.380 -12.619 605 HB3 GLN 76 2HB GLN 76 -14.591 -10.093 -11.795 606 HG2 GLN 76 1HG GLN 76 -14.727 -11.340 -9.697 607 HG3 GLN 76 2HG GLN 76 -15.600 -12.630 -10.522 608 HE21 GLN 76 2HE2 GLN 76 -13.107 -12.783 -9.090 609 HE22 GLN 76 1HE2 GLN 76 -11.915 -13.343 -10.213 610 H ALA 77 H ALA 77 -17.113 -7.721 -11.290 611 HA ALA 77 HA ALA 77 -18.783 -7.465 -13.536 612 HB1 ALA 77 3HB ALA 77 -18.474 -5.065 -13.271 613 HB2 ALA 77 1HB ALA 77 -17.107 -5.346 -12.193 614 HB3 ALA 77 2HB ALA 77 -18.730 -5.836 -11.706 615 H LEU 78 H LEU 78 -18.274 -6.078 -15.453 616 HA LEU 78 HA LEU 78 -16.108 -7.371 -16.824 617 HB2 LEU 78 1HB LEU 78 -18.011 -5.237 -17.791 618 HB3 LEU 78 2HB LEU 78 -16.955 -6.206 -18.802 619 HG LEU 78 HG LEU 78 -19.258 -7.250 -17.151 620 HD11 LEU 78 1HD1 LEU 78 -20.293 -7.714 -19.311 621 HD12 LEU 78 2HD1 LEU 78 -18.931 -6.950 -20.129 622 HD13 LEU 78 3HD1 LEU 78 -19.992 -5.991 -19.097 623 HD21 LEU 78 3HD2 LEU 78 -17.400 -8.685 -19.043 624 HD22 LEU 78 1HD2 LEU 78 -18.823 -9.380 -18.265 625 HD23 LEU 78 2HD2 LEU 78 -17.444 -8.870 -17.290 626 H GLU 79 H GLU 79 -16.292 -4.632 -14.955 627 HA GLU 79 HA GLU 79 -14.327 -3.013 -16.261 628 HB2 GLU 79 1HB GLU 79 -14.937 -3.084 -13.305 629 HB3 GLU 79 2HB GLU 79 -14.284 -1.743 -14.235 630 HG2 GLU 79 1HG GLU 79 -16.373 -1.377 -15.315 631 HG3 GLU 79 2HG GLU 79 -17.044 -2.860 -14.634 632 H HIS 80 H HIS 80 -14.336 -5.796 -14.254 633 HA HIS 80 HA HIS 80 -11.453 -5.554 -13.699 634 HB2 HIS 80 1HB HIS 80 -13.143 -5.718 -11.782 635 HB3 HIS 80 2HB HIS 80 -13.416 -7.375 -12.300 636 HD1 HIS 80 HD1 HIS 80 -11.162 -8.944 -12.225 637 HD2 HIS 80 HD2 HIS 80 -11.121 -5.409 -10.028 638 HE1 HIS 80 HE1 HIS 80 -9.330 -9.215 -10.530 639 HE2 HIS 80 HE2 HIS 80 -9.551 -7.207 -9.026 640 H HIS 81 H HIS 81 -14.015 -7.768 -14.732 641 HA HIS 81 HA HIS 81 -11.951 -9.638 -15.693 642 HB2 HIS 81 1HB HIS 81 -13.493 -10.531 -13.955 643 HB3 HIS 81 2HB HIS 81 -14.851 -10.203 -15.025 644 HD1 HIS 81 HD1 HIS 81 -11.869 -12.487 -14.655 645 HD2 HIS 81 HD2 HIS 81 -15.311 -12.115 -16.965 646 HE1 HIS 81 HE1 HIS 81 -12.079 -14.651 -15.914 647 HE2 HIS 81 HE2 HIS 81 -14.293 -14.492 -17.107 648 H HIS 82 H HIS 82 -11.642 -9.532 -17.810 649 HA HIS 82 HA HIS 82 -13.761 -8.503 -19.535 650 HB2 HIS 82 1HB HIS 82 -10.838 -9.069 -20.060 651 HB3 HIS 82 2HB HIS 82 -11.962 -8.518 -21.293 652 HD1 HIS 82 HD1 HIS 82 -9.357 -7.125 -19.619 653 HD2 HIS 82 HD2 HIS 82 -13.370 -6.034 -19.836 654 HE1 HIS 82 HE1 HIS 82 -9.434 -4.677 -19.036 655 HE2 HIS 82 HE2 HIS 82 -11.882 -4.073 -19.046 656 H HIS 83 H HIS 83 -14.005 -9.559 -21.694 657 HA HIS 83 HA HIS 83 -13.703 -12.490 -21.522 658 HB2 HIS 83 1HB HIS 83 -15.889 -10.846 -22.810 659 HB3 HIS 83 2HB HIS 83 -15.648 -12.553 -23.164 660 HD1 HIS 83 HD1 HIS 83 -17.565 -10.415 -21.064 661 HD2 HIS 83 HD2 HIS 83 -15.750 -14.128 -20.596 662 HE1 HIS 83 HE1 HIS 83 -18.714 -11.494 -19.099 663 HE2 HIS 83 HE2 HIS 83 -17.775 -13.832 -19.018 664 H HIS 84 H HIS 84 -13.384 -9.588 -23.410 665 HA HIS 84 HA HIS 84 -11.782 -11.103 -25.352 666 HB2 HIS 84 1HB HIS 84 -13.739 -8.869 -25.865 667 HB3 HIS 84 2HB HIS 84 -12.455 -9.257 -27.006 668 HD1 HIS 84 HD1 HIS 84 -15.627 -9.592 -27.446 669 HD2 HIS 84 HD2 HIS 84 -12.856 -12.591 -26.644 670 HE1 HIS 84 HE1 HIS 84 -16.653 -11.717 -28.310 671 HE2 HIS 84 HE2 HIS 84 -14.925 -13.509 -27.890 672 H HIS 85 H HIS 85 -10.181 -9.686 -26.491 673 HA HIS 85 HA HIS 85 -8.866 -8.065 -24.437 674 HB2 HIS 85 1HB HIS 85 -7.702 -10.019 -25.577 675 HB3 HIS 85 2HB HIS 85 -7.683 -9.040 -27.041 676 HD1 HIS 85 HD1 HIS 85 -5.773 -7.444 -27.299 677 HD2 HIS 85 HD2 HIS 85 -6.176 -8.834 -23.400 678 HE1 HIS 85 HE1 HIS 85 -3.727 -6.641 -26.076 679 HE2 HIS 85 HE2 HIS 85 -3.899 -7.670 -23.780 Start of MODEL 5 1 H1 MET 1 1H MET 1 5.854 5.172 -10.445 2 H2 MET 1 2H MET 1 4.319 5.376 -11.138 3 H3 MET 1 3H MET 1 5.005 6.624 -10.217 4 HA MET 1 HA MET 1 6.046 5.594 -12.794 5 HB2 MET 1 1HB MET 1 4.623 8.168 -12.090 6 HB3 MET 1 2HB MET 1 5.476 7.907 -13.602 7 HG2 MET 1 1HG MET 1 3.956 6.029 -14.095 8 HG3 MET 1 2HG MET 1 3.067 6.398 -12.617 9 HE1 MET 1 3HE MET 1 3.195 9.576 -12.574 10 HE2 MET 1 1HE MET 1 1.715 8.680 -12.232 11 HE3 MET 1 2HE MET 1 1.697 10.000 -13.402 12 H ASP 2 H ASP 2 6.159 8.516 -10.794 13 HA ASP 2 HA ASP 2 8.921 8.962 -11.506 14 HB2 ASP 2 1HB ASP 2 8.600 11.045 -10.130 15 HB3 ASP 2 2HB ASP 2 7.479 10.883 -11.478 16 H PHE 3 H PHE 3 10.633 8.442 -10.318 17 HA PHE 3 HA PHE 3 10.202 7.299 -7.660 18 HB2 PHE 3 1HB PHE 3 11.571 6.066 -9.365 19 HB3 PHE 3 2HB PHE 3 12.742 7.378 -9.310 20 HD1 PHE 3 HD1 PHE 3 14.169 7.690 -7.364 21 HD2 PHE 3 HD2 PHE 3 11.375 4.487 -7.565 22 HE1 PHE 3 HE1 PHE 3 15.310 6.580 -5.487 23 HE2 PHE 3 HE2 PHE 3 12.509 3.373 -5.688 24 HZ PHE 3 HZ PHE 3 14.480 4.421 -4.646 25 H GLY 4 H GLY 4 10.311 8.663 -6.003 26 HA2 GLY 4 1HA GLY 4 11.615 11.236 -6.359 27 HA3 GLY 4 2HA GLY 4 10.601 10.754 -5.007 28 H LYS 5 H LYS 5 11.513 9.680 -3.260 29 HA LYS 5 HA LYS 5 14.451 9.643 -3.205 30 HB2 LYS 5 1HB LYS 5 12.599 10.788 -1.102 31 HB3 LYS 5 2HB LYS 5 14.334 10.583 -0.900 32 HG2 LYS 5 1HG LYS 5 14.800 12.176 -2.610 33 HG3 LYS 5 2HG LYS 5 13.104 12.245 -3.085 34 HD2 LYS 5 1HD LYS 5 12.548 13.202 -0.890 35 HD3 LYS 5 2HD LYS 5 14.259 13.168 -0.455 36 HE2 LYS 5 1HE LYS 5 13.530 15.394 -1.212 37 HE3 LYS 5 2HE LYS 5 14.778 14.708 -2.251 38 HZ1 LYS 5 3HZ LYS 5 13.129 14.128 -3.869 39 HZ2 LYS 5 1HZ LYS 5 12.948 15.767 -3.491 40 HZ3 LYS 5 2HZ LYS 5 11.867 14.630 -2.855 41 HA PRO 6 HA PRO 6 14.282 5.623 -1.517 42 HB2 PRO 6 1HB PRO 6 16.051 6.434 0.714 43 HB3 PRO 6 2HB PRO 6 16.296 5.206 -0.531 44 HG2 PRO 6 1HG PRO 6 17.629 7.513 -0.607 45 HG3 PRO 6 2HG PRO 6 17.038 6.748 -2.095 46 HD2 PRO 6 1HD PRO 6 15.907 9.066 -0.573 47 HD3 PRO 6 2HD PRO 6 16.056 8.834 -2.329 48 H ASN 7 H ASN 7 13.318 8.234 0.496 49 HA ASN 7 HA ASN 7 12.479 6.557 2.710 50 HB2 ASN 7 1HB ASN 7 11.978 9.500 2.207 51 HB3 ASN 7 2HB ASN 7 11.604 8.640 3.693 52 HD21 ASN 7 2HD2 ASN 7 13.249 10.932 3.385 53 HD22 ASN 7 1HD2 ASN 7 14.839 10.505 3.920 54 H GLN 8 H GLN 8 11.312 6.535 -0.175 55 HA GLN 8 HA GLN 8 8.532 7.194 0.411 56 HB2 GLN 8 1HB GLN 8 9.922 6.415 -2.144 57 HB3 GLN 8 2HB GLN 8 8.181 6.614 -2.018 58 HG2 GLN 8 1HG GLN 8 8.527 8.945 -1.315 59 HG3 GLN 8 2HG GLN 8 10.263 8.729 -1.539 60 HE21 GLN 8 2HE2 GLN 8 8.425 10.552 -2.864 61 HE22 GLN 8 1HE2 GLN 8 8.533 10.209 -4.558 62 H VAL 9 H VAL 9 7.206 5.737 1.150 63 HA VAL 9 HA VAL 9 7.623 2.905 0.525 64 HB VAL 9 HB VAL 9 5.674 4.233 2.423 65 HG11 VAL 9 1HG1 VAL 9 5.169 1.967 3.206 66 HG12 VAL 9 2HG1 VAL 9 6.206 1.303 1.944 67 HG13 VAL 9 3HG1 VAL 9 4.736 2.177 1.510 68 HG21 VAL 9 3HG2 VAL 9 7.985 4.343 3.187 69 HG22 VAL 9 1HG2 VAL 9 8.154 2.602 2.956 70 HG23 VAL 9 2HG2 VAL 9 7.048 3.226 4.179 71 H THR 10 H THR 10 6.537 2.004 -1.092 72 HA THR 10 HA THR 10 4.459 3.547 -2.425 73 HB THR 10 HB THR 10 5.681 0.905 -3.247 74 HG1 THR 10 HG1 THR 10 6.698 3.421 -3.275 75 HG21 THR 10 3HG2 THR 10 3.540 1.375 -4.326 76 HG22 THR 10 1HG2 THR 10 4.861 1.511 -5.483 77 HG23 THR 10 2HG2 THR 10 4.122 2.966 -4.815 78 H VAL 11 H VAL 11 2.422 3.273 -1.860 79 HA VAL 11 HA VAL 11 1.574 0.806 -0.550 80 HB VAL 11 HB VAL 11 -0.003 3.340 -1.052 81 HG11 VAL 11 1HG1 VAL 11 -1.532 2.462 0.651 82 HG12 VAL 11 2HG1 VAL 11 -0.580 0.980 0.732 83 HG13 VAL 11 3HG1 VAL 11 -1.433 1.398 -0.753 84 HG21 VAL 11 3HG2 VAL 11 1.899 3.768 0.405 85 HG22 VAL 11 1HG2 VAL 11 1.427 2.418 1.438 86 HG23 VAL 11 2HG2 VAL 11 0.388 3.838 1.313 87 H ASN 12 H ASN 12 0.835 -0.800 -1.751 88 HA ASN 12 HA ASN 12 -0.371 -0.159 -4.359 89 HB2 ASN 12 1HB ASN 12 1.064 -2.629 -3.389 90 HB3 ASN 12 2HB ASN 12 0.082 -2.626 -4.849 91 HD21 ASN 12 2HD2 ASN 12 2.848 -3.199 -4.703 92 HD22 ASN 12 1HD2 ASN 12 3.685 -1.987 -5.621 93 H TYR 13 H TYR 13 -2.500 -0.119 -4.241 94 HA TYR 13 HA TYR 13 -3.996 -1.882 -2.515 95 HB2 TYR 13 1HB TYR 13 -4.925 -0.063 -4.755 96 HB3 TYR 13 2HB TYR 13 -5.973 -0.880 -3.602 97 HD1 TYR 13 HD2 TYR 13 -3.583 1.864 -4.079 98 HD2 TYR 13 HD1 TYR 13 -6.180 -0.081 -1.328 99 HE1 TYR 13 HE2 TYR 13 -3.426 3.802 -2.571 100 HE2 TYR 13 HE1 TYR 13 -6.033 1.850 0.184 101 HH TYR 13 HH TYR 13 -4.529 3.712 0.654 102 H LEU 14 H LEU 14 -4.027 -3.992 -3.035 103 HA LEU 14 HA LEU 14 -3.816 -4.689 -5.887 104 HB2 LEU 14 1HB LEU 14 -2.909 -6.205 -3.446 105 HB3 LEU 14 2HB LEU 14 -2.791 -6.797 -5.092 106 HG LEU 14 HG LEU 14 -1.377 -4.365 -3.999 107 HD11 LEU 14 1HD1 LEU 14 -0.476 -6.447 -3.115 108 HD12 LEU 14 2HD1 LEU 14 0.646 -5.710 -4.261 109 HD13 LEU 14 3HD1 LEU 14 -0.336 -7.091 -4.751 110 HD21 LEU 14 3HD2 LEU 14 -1.942 -4.121 -6.350 111 HD22 LEU 14 1HD2 LEU 14 -1.231 -5.697 -6.699 112 HD23 LEU 14 2HD2 LEU 14 -0.206 -4.369 -6.149 113 H ASP 15 H ASP 15 -5.129 -6.142 -6.786 114 HA ASP 15 HA ASP 15 -7.393 -7.199 -5.356 115 HB2 ASP 15 1HB ASP 15 -7.533 -6.510 -7.742 116 HB3 ASP 15 2HB ASP 15 -6.388 -7.777 -8.163 117 H GLU 16 H GLU 16 -7.796 -9.657 -5.705 118 HA GLU 16 HA GLU 16 -5.772 -11.069 -4.272 119 HB2 GLU 16 1HB GLU 16 -8.254 -11.483 -4.052 120 HB3 GLU 16 2HB GLU 16 -8.211 -12.224 -5.646 121 HG2 GLU 16 1HG GLU 16 -6.331 -13.695 -4.571 122 HG3 GLU 16 2HG GLU 16 -7.105 -13.205 -3.065 123 H ASN 17 H ASN 17 -6.873 -10.850 -7.569 124 HA ASN 17 HA ASN 17 -5.061 -12.918 -8.527 125 HB2 ASN 17 1HB ASN 17 -6.745 -10.939 -10.088 126 HB3 ASN 17 2HB ASN 17 -5.956 -12.374 -10.733 127 HD21 ASN 17 2HD2 ASN 17 -8.594 -11.149 -8.839 128 HD22 ASN 17 1HD2 ASN 17 -9.514 -12.619 -8.812 129 H ASN 18 H ASN 18 -4.451 -10.229 -7.208 130 HA ASN 18 HA ASN 18 -2.989 -8.571 -7.235 131 HB2 ASN 18 1HB ASN 18 -1.601 -10.569 -8.983 132 HB3 ASN 18 2HB ASN 18 -0.914 -8.957 -8.820 133 HD21 ASN 18 2HD2 ASN 18 -1.529 -11.984 -7.275 134 HD22 ASN 18 1HD2 ASN 18 -0.594 -11.670 -5.845 135 H THR 19 H THR 19 -4.114 -6.920 -7.983 136 HA THR 19 HA THR 19 -3.388 -5.898 -10.585 137 HB THR 19 HB THR 19 -6.311 -6.262 -9.852 138 HG1 THR 19 HG1 THR 19 -4.519 -7.779 -11.278 139 HG21 THR 19 3HG2 THR 19 -5.040 -5.089 -12.331 140 HG22 THR 19 1HG2 THR 19 -5.901 -4.184 -11.087 141 HG23 THR 19 2HG2 THR 19 -6.766 -5.353 -12.085 142 H SER 20 H SER 20 -3.283 -3.679 -10.553 143 HA SER 20 HA SER 20 -3.477 -2.376 -8.017 144 HB2 SER 20 1HB SER 20 -1.851 -1.845 -9.933 145 HB3 SER 20 2HB SER 20 -3.198 -1.007 -10.698 146 HG SER 20 HG SER 20 -3.300 0.118 -8.514 147 H ILE 21 H ILE 21 -5.571 -2.425 -7.293 148 HA ILE 21 HA ILE 21 -7.783 -1.776 -8.998 149 HB ILE 21 HB ILE 21 -7.973 -3.370 -7.101 150 HG12 ILE 21 1HG1 ILE 21 -10.155 -2.498 -6.238 151 HG13 ILE 21 2HG1 ILE 21 -9.807 -0.971 -7.043 152 HG21 ILE 21 1HG2 ILE 21 -7.780 -0.907 -5.379 153 HG22 ILE 21 2HG2 ILE 21 -6.608 -2.223 -5.462 154 HG23 ILE 21 3HG2 ILE 21 -8.224 -2.520 -4.821 155 HD11 ILE 21 3HD1 ILE 21 -10.123 -3.644 -8.387 156 HD12 ILE 21 1HD1 ILE 21 -9.772 -2.117 -9.196 157 HD13 ILE 21 2HD1 ILE 21 -11.310 -2.340 -8.361 158 H ALA 22 H ALA 22 -5.736 -0.055 -6.798 159 HA ALA 22 HA ALA 22 -7.039 2.441 -7.618 160 HB1 ALA 22 3HB ALA 22 -6.147 1.792 -4.805 161 HB2 ALA 22 1HB ALA 22 -7.814 1.976 -5.351 162 HB3 ALA 22 2HB ALA 22 -6.724 3.365 -5.357 163 HA PRO 23 HA PRO 23 -3.029 3.901 -8.755 164 HB2 PRO 23 1HB PRO 23 -3.584 6.289 -7.059 165 HB3 PRO 23 2HB PRO 23 -3.079 6.202 -8.751 166 HG2 PRO 23 1HG PRO 23 -5.594 6.782 -8.129 167 HG3 PRO 23 2HG PRO 23 -5.225 5.720 -9.500 168 HD2 PRO 23 1HD PRO 23 -6.230 5.021 -6.777 169 HD3 PRO 23 2HD PRO 23 -6.633 4.301 -8.348 170 H SER 24 H SER 24 -1.015 3.636 -8.031 171 HA SER 24 HA SER 24 -0.528 2.828 -5.357 172 HB2 SER 24 1HB SER 24 1.931 2.985 -6.263 173 HB3 SER 24 2HB SER 24 0.838 1.752 -6.894 174 HG SER 24 HG SER 24 2.081 3.093 -8.464 175 H LEU 25 H LEU 25 0.259 3.929 -3.663 176 HA LEU 25 HA LEU 25 0.437 6.829 -3.954 177 HB2 LEU 25 1HB LEU 25 0.275 5.051 -1.536 178 HB3 LEU 25 2HB LEU 25 0.489 6.785 -1.449 179 HG LEU 25 HG LEU 25 -1.912 5.304 -2.496 180 HD11 LEU 25 1HD1 LEU 25 -1.733 5.383 -0.098 181 HD12 LEU 25 2HD1 LEU 25 -2.992 6.505 -0.620 182 HD13 LEU 25 3HD1 LEU 25 -1.401 7.113 -0.147 183 HD21 LEU 25 3HD2 LEU 25 -2.900 7.516 -2.863 184 HD22 LEU 25 1HD2 LEU 25 -1.484 7.273 -3.888 185 HD23 LEU 25 2HD2 LEU 25 -1.365 8.275 -2.442 186 H TYR 26 H TYR 26 2.080 8.040 -2.874 187 HA TYR 26 HA TYR 26 4.521 6.519 -2.313 188 HB2 TYR 26 1HB TYR 26 4.450 9.453 -3.031 189 HB3 TYR 26 2HB TYR 26 5.862 8.419 -2.914 190 HD1 TYR 26 HD1 TYR 26 6.130 6.579 -4.700 191 HD2 TYR 26 HD2 TYR 26 3.391 9.816 -5.053 192 HE1 TYR 26 HE1 TYR 26 6.090 6.275 -7.144 193 HE2 TYR 26 HE2 TYR 26 3.334 9.513 -7.488 194 HH TYR 26 HH TYR 26 4.838 8.610 -9.241 195 H LEU 27 H LEU 27 4.500 6.272 -0.123 196 HA LEU 27 HA LEU 27 3.858 8.579 1.536 197 HB2 LEU 27 1HB LEU 27 4.598 5.732 2.167 198 HB3 LEU 27 2HB LEU 27 4.546 6.968 3.411 199 HG LEU 27 HG LEU 27 2.222 6.152 1.678 200 HD11 LEU 27 1HD1 LEU 27 1.316 5.159 3.721 201 HD12 LEU 27 2HD1 LEU 27 2.800 5.573 4.579 202 HD13 LEU 27 3HD1 LEU 27 2.842 4.402 3.260 203 HD21 LEU 27 3HD2 LEU 27 0.888 7.535 3.180 204 HD22 LEU 27 1HD2 LEU 27 2.120 8.494 2.357 205 HD23 LEU 27 2HD2 LEU 27 2.351 8.018 4.039 206 H SER 28 H SER 28 5.364 10.082 1.465 207 HA SER 28 HA SER 28 8.170 9.252 1.813 208 HB2 SER 28 1HB SER 28 8.695 11.491 0.705 209 HB3 SER 28 2HB SER 28 8.011 10.245 -0.336 210 HG SER 28 HG SER 28 5.992 11.621 0.719 211 H GLY 29 H GLY 29 9.058 9.804 3.680 212 HA2 GLY 29 1HA GLY 29 8.408 12.332 4.938 213 HA3 GLY 29 2HA GLY 29 7.890 10.907 5.828 214 H LEU 30 H LEU 30 9.262 11.341 7.547 215 HA LEU 30 HA LEU 30 12.113 11.539 7.111 216 HB2 LEU 30 1HB LEU 30 10.595 11.147 9.692 217 HB3 LEU 30 2HB LEU 30 12.271 11.633 9.535 218 HG LEU 30 HG LEU 30 9.909 13.267 8.604 219 HD11 LEU 30 1HD1 LEU 30 11.666 13.570 11.033 220 HD12 LEU 30 2HD1 LEU 30 9.969 13.091 11.028 221 HD13 LEU 30 3HD1 LEU 30 10.429 14.712 10.506 222 HD21 LEU 30 3HD2 LEU 30 11.928 13.685 7.305 223 HD22 LEU 30 1HD2 LEU 30 12.846 13.933 8.789 224 HD23 LEU 30 2HD2 LEU 30 11.561 15.057 8.350 225 H PHE 31 H PHE 31 13.651 9.997 7.876 226 HA PHE 31 HA PHE 31 13.131 7.335 7.234 227 HB2 PHE 31 1HB PHE 31 15.395 8.223 7.243 228 HB3 PHE 31 2HB PHE 31 15.307 8.515 8.975 229 HD1 PHE 31 HD2 PHE 31 15.605 5.944 6.373 230 HD2 PHE 31 HD1 PHE 31 15.640 6.743 10.552 231 HE1 PHE 31 HE2 PHE 31 16.544 3.710 6.792 232 HE2 PHE 31 HE1 PHE 31 16.582 4.512 10.976 233 HZ PHE 31 HZ PHE 31 17.034 2.991 9.095 234 H ASN 32 H ASN 32 13.325 8.914 10.381 235 HA ASN 32 HA ASN 32 12.165 6.522 11.620 236 HB2 ASN 32 1HB ASN 32 14.310 7.543 12.532 237 HB3 ASN 32 2HB ASN 32 13.338 8.920 13.036 238 HD21 ASN 32 2HD2 ASN 32 14.899 6.965 14.562 239 HD22 ASN 32 1HD2 ASN 32 13.799 6.274 15.713 240 H GLU 33 H GLU 33 10.148 7.167 10.533 241 HA GLU 33 HA GLU 33 8.618 8.956 12.286 242 HB2 GLU 33 1HB GLU 33 9.153 10.192 10.213 243 HB3 GLU 33 2HB GLU 33 8.423 8.908 9.265 244 HG2 GLU 33 1HG GLU 33 6.280 9.374 10.502 245 HG3 GLU 33 2HG GLU 33 7.066 10.815 11.144 246 H ALA 34 H ALA 34 7.023 7.812 13.164 247 HA ALA 34 HA ALA 34 6.100 5.338 12.086 248 HB1 ALA 34 3HB ALA 34 4.447 5.403 13.891 249 HB2 ALA 34 1HB ALA 34 4.894 7.073 14.244 250 HB3 ALA 34 2HB ALA 34 6.063 5.775 14.491 251 H TYR 35 H TYR 35 4.857 5.195 10.331 252 HA TYR 35 HA TYR 35 3.164 7.499 9.660 253 HB2 TYR 35 1HB TYR 35 3.261 6.746 7.350 254 HB3 TYR 35 2HB TYR 35 4.885 6.923 8.000 255 HD1 TYR 35 HD1 TYR 35 6.267 4.930 8.439 256 HD2 TYR 35 HD2 TYR 35 2.400 4.599 6.696 257 HE1 TYR 35 HE1 TYR 35 6.794 2.639 7.714 258 HE2 TYR 35 HE2 TYR 35 2.916 2.310 5.971 259 HH TYR 35 HH TYR 35 5.623 0.586 7.096 260 H ASN 36 H ASN 36 1.171 7.018 8.460 261 HA ASN 36 HA ASN 36 -0.113 4.532 9.384 262 HB2 ASN 36 1HB ASN 36 -1.348 7.263 8.949 263 HB3 ASN 36 2HB ASN 36 -2.266 5.801 9.291 264 HD21 ASN 36 2HD2 ASN 36 -0.174 8.246 10.576 265 HD22 ASN 36 1HD2 ASN 36 -0.365 7.814 12.243 266 H VAL 37 H VAL 37 -1.602 3.555 7.900 267 HA VAL 37 HA VAL 37 -1.006 4.284 5.113 268 HB VAL 37 HB VAL 37 -1.736 1.559 6.200 269 HG11 VAL 37 1HG1 VAL 37 -2.536 1.870 3.929 270 HG12 VAL 37 2HG1 VAL 37 -1.173 0.751 3.952 271 HG13 VAL 37 3HG1 VAL 37 -0.937 2.417 3.422 272 HG21 VAL 37 3HG2 VAL 37 0.505 2.232 6.873 273 HG22 VAL 37 1HG2 VAL 37 0.905 2.615 5.199 274 HG23 VAL 37 2HG2 VAL 37 0.573 0.948 5.668 275 HA PRO 38 HA PRO 38 -5.420 5.086 4.815 276 HB2 PRO 38 1HB PRO 38 -4.761 5.622 2.007 277 HB3 PRO 38 2HB PRO 38 -5.430 6.712 3.225 278 HG2 PRO 38 1HG PRO 38 -2.915 6.978 2.300 279 HG3 PRO 38 2HG PRO 38 -3.352 7.367 3.975 280 HD2 PRO 38 1HD PRO 38 -2.020 4.912 2.886 281 HD3 PRO 38 2HD PRO 38 -1.647 5.837 4.356 282 H MET 39 H MET 39 -6.765 3.410 4.621 283 HA MET 39 HA MET 39 -6.010 1.144 2.963 284 HB2 MET 39 1HB MET 39 -8.308 1.507 4.892 285 HB3 MET 39 2HB MET 39 -7.910 0.006 4.070 286 HG2 MET 39 1HG MET 39 -5.751 -0.047 5.204 287 HG3 MET 39 2HG MET 39 -6.146 1.463 6.025 288 HE1 MET 39 3HE MET 39 -5.204 -1.134 7.564 289 HE2 MET 39 1HE MET 39 -6.340 -1.173 8.914 290 HE3 MET 39 2HE MET 39 -5.646 0.362 8.389 291 H LYS 40 H LYS 40 -8.593 3.534 3.129 292 HA LYS 40 HA LYS 40 -10.291 4.103 1.738 293 HB2 LYS 40 1HB LYS 40 -8.624 2.573 -0.257 294 HB3 LYS 40 2HB LYS 40 -10.114 3.400 -0.688 295 HG2 LYS 40 1HG LYS 40 -9.162 5.520 -0.007 296 HG3 LYS 40 2HG LYS 40 -7.682 4.707 0.505 297 HD2 LYS 40 1HD LYS 40 -7.263 3.993 -1.782 298 HD3 LYS 40 2HD LYS 40 -8.772 4.741 -2.307 299 HE2 LYS 40 1HE LYS 40 -6.780 6.124 -2.789 300 HE3 LYS 40 2HE LYS 40 -7.946 6.927 -1.738 301 HZ1 LYS 40 3HZ LYS 40 -5.582 7.163 -1.052 302 HZ2 LYS 40 1HZ LYS 40 -5.546 5.497 -0.731 303 HZ3 LYS 40 2HZ LYS 40 -6.589 6.509 0.148 304 H LYS 41 H LYS 41 -12.142 3.225 0.459 305 HA LYS 41 HA LYS 41 -12.566 0.356 0.989 306 HB2 LYS 41 1HB LYS 41 -13.979 1.838 2.432 307 HB3 LYS 41 2HB LYS 41 -14.716 2.481 0.970 308 HG2 LYS 41 1HG LYS 41 -15.487 0.210 0.396 309 HG3 LYS 41 2HG LYS 41 -14.822 -0.374 1.922 310 HD2 LYS 41 1HD LYS 41 -16.298 1.302 3.081 311 HD3 LYS 41 2HD LYS 41 -17.058 1.598 1.517 312 HE2 LYS 41 1HE LYS 41 -17.803 -0.671 1.375 313 HE3 LYS 41 2HE LYS 41 -16.886 -1.114 2.814 314 HZ1 LYS 41 3HZ LYS 41 -19.210 -0.828 3.345 315 HZ2 LYS 41 1HZ LYS 41 -19.201 0.749 2.723 316 HZ3 LYS 41 2HZ LYS 41 -18.296 0.378 4.110 317 H ILE 42 H ILE 42 -12.532 -0.706 -0.872 318 HA ILE 42 HA ILE 42 -13.241 0.620 -3.352 319 HB ILE 42 HB ILE 42 -12.605 -2.315 -3.078 320 HG12 ILE 42 1HG1 ILE 42 -10.827 -1.085 -1.901 321 HG13 ILE 42 2HG1 ILE 42 -10.228 -1.784 -3.400 322 HG21 ILE 42 1HG2 ILE 42 -13.427 -1.562 -5.238 323 HG22 ILE 42 2HG2 ILE 42 -11.729 -2.024 -5.353 324 HG23 ILE 42 3HG2 ILE 42 -12.177 -0.319 -5.299 325 HD11 ILE 42 3HD1 ILE 42 -11.002 1.095 -2.988 326 HD12 ILE 42 1HD1 ILE 42 -10.381 0.394 -4.482 327 HD13 ILE 42 2HD1 ILE 42 -9.359 0.458 -3.045 328 H LYS 43 H LYS 43 -14.848 -0.449 -4.831 329 HA LYS 43 HA LYS 43 -17.325 -0.598 -3.479 330 HB2 LYS 43 1HB LYS 43 -16.739 -1.361 -6.343 331 HB3 LYS 43 2HB LYS 43 -18.312 -0.967 -5.668 332 HG2 LYS 43 1HG LYS 43 -17.513 1.324 -5.218 333 HG3 LYS 43 2HG LYS 43 -15.980 0.911 -5.994 334 HD2 LYS 43 1HD LYS 43 -17.248 0.335 -8.054 335 HD3 LYS 43 2HD LYS 43 -18.714 0.920 -7.267 336 HE2 LYS 43 1HE LYS 43 -16.243 2.549 -7.849 337 HE3 LYS 43 2HE LYS 43 -17.754 2.608 -8.752 338 HZ1 LYS 43 3HZ LYS 43 -17.243 3.511 -5.980 339 HZ2 LYS 43 1HZ LYS 43 -18.818 3.256 -6.569 340 HZ3 LYS 43 2HZ LYS 43 -17.814 4.414 -7.293 341 H GLY 44 H GLY 44 -17.265 -2.330 -2.031 342 HA2 GLY 44 1HA GLY 44 -18.000 -4.445 -1.454 343 HA3 GLY 44 2HA GLY 44 -18.206 -4.798 -3.163 344 H TYR 45 H TYR 45 -15.383 -3.956 -1.168 345 HA TYR 45 HA TYR 45 -14.162 -6.503 -1.977 346 HB2 TYR 45 1HB TYR 45 -12.978 -3.745 -2.047 347 HB3 TYR 45 2HB TYR 45 -11.945 -5.152 -1.839 348 HD1 TYR 45 HD2 TYR 45 -14.611 -3.842 -4.107 349 HD2 TYR 45 HD1 TYR 45 -11.098 -6.204 -3.714 350 HE1 TYR 45 HE2 TYR 45 -14.557 -4.155 -6.545 351 HE2 TYR 45 HE1 TYR 45 -11.033 -6.525 -6.151 352 HH TYR 45 HH TYR 45 -12.434 -6.423 -8.067 353 H THR 46 H THR 46 -13.488 -7.688 -0.354 354 HA THR 46 HA THR 46 -13.432 -6.589 2.353 355 HB THR 46 HB THR 46 -12.951 -9.453 1.517 356 HG1 THR 46 HG1 THR 46 -14.989 -9.616 1.043 357 HG21 THR 46 3HG2 THR 46 -13.815 -9.956 3.758 358 HG22 THR 46 1HG2 THR 46 -13.996 -8.230 4.071 359 HG23 THR 46 2HG2 THR 46 -12.390 -8.919 3.827 360 H LEU 47 H LEU 47 -11.509 -6.305 3.493 361 HA LEU 47 HA LEU 47 -9.025 -6.676 2.122 362 HB2 LEU 47 1HB LEU 47 -9.311 -4.931 3.846 363 HB3 LEU 47 2HB LEU 47 -9.524 -6.177 5.060 364 HG LEU 47 HG LEU 47 -7.223 -6.953 4.677 365 HD11 LEU 47 1HD1 LEU 47 -7.048 -4.617 2.781 366 HD12 LEU 47 2HD1 LEU 47 -6.989 -6.324 2.341 367 HD13 LEU 47 3HD1 LEU 47 -5.696 -5.618 3.312 368 HD21 LEU 47 3HD2 LEU 47 -6.074 -5.029 5.653 369 HD22 LEU 47 1HD2 LEU 47 -7.644 -5.301 6.411 370 HD23 LEU 47 2HD2 LEU 47 -7.443 -4.000 5.236 371 H LEU 48 H LEU 48 -8.309 -8.639 1.685 372 HA LEU 48 HA LEU 48 -9.161 -11.002 2.897 373 HB2 LEU 48 1HB LEU 48 -8.086 -10.865 0.675 374 HB3 LEU 48 2HB LEU 48 -6.559 -10.487 1.447 375 HG LEU 48 HG LEU 48 -6.594 -12.713 2.541 376 HD11 LEU 48 1HD1 LEU 48 -8.175 -14.400 1.759 377 HD12 LEU 48 2HD1 LEU 48 -9.014 -13.177 0.805 378 HD13 LEU 48 3HD1 LEU 48 -9.005 -13.069 2.566 379 HD21 LEU 48 3HD2 LEU 48 -6.831 -12.739 -0.464 380 HD22 LEU 48 1HD2 LEU 48 -6.084 -13.998 0.519 381 HD23 LEU 48 2HD2 LEU 48 -5.373 -12.384 0.464 382 H LYS 49 H LYS 49 -6.137 -9.221 3.325 383 HA LYS 49 HA LYS 49 -5.961 -9.334 6.063 384 HB2 LYS 49 1HB LYS 49 -5.815 -11.824 5.727 385 HB3 LYS 49 2HB LYS 49 -4.332 -11.568 4.818 386 HG2 LYS 49 1HG LYS 49 -3.309 -10.563 6.815 387 HG3 LYS 49 2HG LYS 49 -4.787 -10.895 7.718 388 HD2 LYS 49 1HD LYS 49 -4.494 -13.277 7.366 389 HD3 LYS 49 2HD LYS 49 -3.063 -12.976 6.376 390 HE2 LYS 49 1HE LYS 49 -3.376 -12.290 9.298 391 HE3 LYS 49 2HE LYS 49 -2.453 -13.645 8.648 392 HZ1 LYS 49 3HZ LYS 49 -1.012 -12.060 7.510 393 HZ2 LYS 49 1HZ LYS 49 -1.010 -11.797 9.187 394 HZ3 LYS 49 2HZ LYS 49 -1.889 -10.764 8.169 395 H TYR 50 H TYR 50 -3.943 -8.438 6.812 396 HA TYR 50 HA TYR 50 -2.347 -7.213 4.730 397 HB2 TYR 50 1HB TYR 50 -2.583 -6.897 7.677 398 HB3 TYR 50 2HB TYR 50 -1.021 -6.525 6.955 399 HD1 TYR 50 HD2 TYR 50 -1.223 -5.046 4.740 400 HD2 TYR 50 HD1 TYR 50 -4.074 -5.144 7.894 401 HE1 TYR 50 HE2 TYR 50 -2.033 -2.824 4.067 402 HE2 TYR 50 HE1 TYR 50 -4.896 -2.923 7.230 403 HH TYR 50 HH TYR 50 -4.063 -1.462 4.279 404 H ASP 51 H ASP 51 -0.325 -7.795 4.157 405 HA ASP 51 HA ASP 51 0.529 -10.433 4.763 406 HB2 ASP 51 1HB ASP 51 0.960 -9.375 2.587 407 HB3 ASP 51 2HB ASP 51 2.007 -8.195 3.368 408 H SER 52 H SER 52 1.201 -7.307 6.044 409 HA SER 52 HA SER 52 2.549 -8.430 8.297 410 HB2 SER 52 1HB SER 52 4.558 -6.844 7.976 411 HB3 SER 52 2HB SER 52 4.531 -8.325 7.020 412 HG SER 52 HG SER 52 3.577 -7.006 5.319 413 H GLU 53 H GLU 53 3.277 -6.506 9.782 414 HA GLU 53 HA GLU 53 0.974 -4.865 10.123 415 HB2 GLU 53 1HB GLU 53 3.588 -5.084 11.587 416 HB3 GLU 53 2HB GLU 53 2.402 -3.849 11.998 417 HG2 GLU 53 1HG GLU 53 1.971 -6.828 12.052 418 HG3 GLU 53 2HG GLU 53 2.155 -5.764 13.448 419 H ILE 54 H ILE 54 0.717 -2.702 9.891 420 HA ILE 54 HA ILE 54 2.605 -1.444 8.028 421 HB ILE 54 HB ILE 54 0.727 0.105 7.512 422 HG12 ILE 54 1HG1 ILE 54 -0.878 -1.783 9.255 423 HG13 ILE 54 2HG1 ILE 54 -0.464 -0.124 9.671 424 HG21 ILE 54 1HG2 ILE 54 0.140 -2.834 7.174 425 HG22 ILE 54 2HG2 ILE 54 1.149 -1.841 6.122 426 HG23 ILE 54 3HG2 ILE 54 -0.583 -1.529 6.233 427 HD11 ILE 54 3HD1 ILE 54 -2.182 -0.976 7.353 428 HD12 ILE 54 1HD1 ILE 54 -1.786 0.683 7.797 429 HD13 ILE 54 2HD1 ILE 54 -2.756 -0.312 8.881 430 H LEU 55 H LEU 55 1.464 -1.255 11.241 431 HA LEU 55 HA LEU 55 2.010 1.548 11.591 432 HB2 LEU 55 1HB LEU 55 0.305 0.391 12.942 433 HB3 LEU 55 2HB LEU 55 1.555 -0.615 13.649 434 HG LEU 55 HG LEU 55 2.583 1.401 14.653 435 HD11 LEU 55 1HD1 LEU 55 1.338 3.500 14.679 436 HD12 LEU 55 2HD1 LEU 55 0.143 2.809 13.582 437 HD13 LEU 55 3HD1 LEU 55 1.802 3.053 13.037 438 HD21 LEU 55 3HD2 LEU 55 -0.332 1.020 15.323 439 HD22 LEU 55 1HD2 LEU 55 0.889 1.744 16.370 440 HD23 LEU 55 2HD2 LEU 55 1.004 0.039 15.928 441 H GLY 56 H GLY 56 4.115 1.932 11.053 442 HA2 GLY 56 1HA GLY 56 6.070 1.324 13.068 443 HA3 GLY 56 2HA GLY 56 6.375 0.484 11.553 444 H VAL 57 H VAL 57 8.387 1.848 11.778 445 HA VAL 57 HA VAL 57 7.971 4.611 10.903 446 HB VAL 57 HB VAL 57 10.369 4.951 11.337 447 HG11 VAL 57 1HG1 VAL 57 8.780 5.349 13.138 448 HG12 VAL 57 2HG1 VAL 57 10.301 4.726 13.777 449 HG13 VAL 57 3HG1 VAL 57 8.901 3.663 13.638 450 HG21 VAL 57 3HG2 VAL 57 11.193 2.720 10.828 451 HG22 VAL 57 1HG2 VAL 57 10.347 2.065 12.230 452 HG23 VAL 57 2HG2 VAL 57 11.682 3.196 12.454 453 H PHE 58 H PHE 58 9.403 5.440 9.192 454 HA PHE 58 HA PHE 58 9.277 3.836 6.862 455 HB2 PHE 58 1HB PHE 58 10.487 6.526 7.453 456 HB3 PHE 58 2HB PHE 58 10.650 5.769 5.874 457 HD1 PHE 58 HD1 PHE 58 8.687 5.409 4.468 458 HD2 PHE 58 HD2 PHE 58 8.428 7.507 8.154 459 HE1 PHE 58 HE1 PHE 58 6.523 6.342 3.777 460 HE2 PHE 58 HE2 PHE 58 6.258 8.447 7.471 461 HZ PHE 58 HZ PHE 58 5.300 7.860 5.274 462 H THR 59 H THR 59 11.396 4.034 5.399 463 HA THR 59 HA THR 59 13.856 3.502 6.828 464 HB THR 59 HB THR 59 12.854 1.440 4.850 465 HG1 THR 59 HG1 THR 59 12.250 1.746 7.508 466 HG21 THR 59 3HG2 THR 59 14.668 0.072 5.776 467 HG22 THR 59 1HG2 THR 59 15.122 1.398 6.846 468 HG23 THR 59 2HG2 THR 59 15.284 1.579 5.099 469 H GLU 60 H GLU 60 15.696 3.478 5.273 470 HA GLU 60 HA GLU 60 15.164 5.385 3.155 471 HB2 GLU 60 1HB GLU 60 17.121 5.483 4.815 472 HB3 GLU 60 2HB GLU 60 17.850 4.212 3.840 473 HG2 GLU 60 1HG GLU 60 17.785 5.650 1.886 474 HG3 GLU 60 2HG GLU 60 17.010 6.919 2.831 475 H SER 61 H SER 61 14.014 2.951 2.705 476 HA SER 61 HA SER 61 15.153 2.272 0.145 477 HB2 SER 61 1HB SER 61 14.674 0.122 2.233 478 HB3 SER 61 2HB SER 61 15.160 -0.149 0.559 479 HG SER 61 HG SER 61 16.852 1.583 1.704 480 HA PRO 62 HA PRO 62 10.825 2.821 -0.649 481 HB2 PRO 62 1HB PRO 62 11.489 1.044 -2.956 482 HB3 PRO 62 2HB PRO 62 10.625 2.586 -2.935 483 HG2 PRO 62 1HG PRO 62 13.150 2.470 -3.753 484 HG3 PRO 62 2HG PRO 62 12.579 3.830 -2.766 485 HD2 PRO 62 1HD PRO 62 14.269 1.500 -1.990 486 HD3 PRO 62 2HD PRO 62 14.320 3.177 -1.410 487 H GLN 63 H GLN 63 9.611 1.717 0.770 488 HA GLN 63 HA GLN 63 9.564 -1.184 0.771 489 HB2 GLN 63 1HB GLN 63 7.996 0.827 2.398 490 HB3 GLN 63 2HB GLN 63 7.923 -0.915 2.615 491 HG2 GLN 63 1HG GLN 63 10.311 -0.925 3.186 492 HG3 GLN 63 2HG GLN 63 10.340 0.830 3.018 493 HE21 GLN 63 2HE2 GLN 63 10.894 -0.843 5.347 494 HE22 GLN 63 1HE2 GLN 63 9.805 -0.311 6.583 495 H THR 64 H THR 64 7.413 -2.288 0.730 496 HA THR 64 HA THR 64 5.525 -0.937 -1.067 497 HB THR 64 HB THR 64 6.431 -3.813 -1.319 498 HG1 THR 64 HG1 THR 64 7.501 -1.557 -2.242 499 HG21 THR 64 3HG2 THR 64 4.531 -2.189 -3.019 500 HG22 THR 64 1HG2 THR 64 4.076 -3.499 -1.931 501 HG23 THR 64 2HG2 THR 64 5.065 -3.837 -3.352 502 H ILE 65 H ILE 65 3.711 -0.702 0.053 503 HA ILE 65 HA ILE 65 2.921 -2.714 2.022 504 HB ILE 65 HB ILE 65 1.637 -0.060 1.333 505 HG12 ILE 65 1HG1 ILE 65 3.812 0.240 2.385 506 HG13 ILE 65 2HG1 ILE 65 2.537 0.667 3.524 507 HG21 ILE 65 1HG2 ILE 65 -0.003 -1.631 2.186 508 HG22 ILE 65 2HG2 ILE 65 0.330 -0.383 3.387 509 HG23 ILE 65 3HG2 ILE 65 1.030 -1.991 3.570 510 HD11 ILE 65 3HD1 ILE 65 2.797 -1.488 4.626 511 HD12 ILE 65 1HD1 ILE 65 4.315 -0.590 4.601 512 HD13 ILE 65 2HD1 ILE 65 4.060 -1.926 3.477 513 H ASN 66 H ASN 66 1.963 -4.432 1.131 514 HA ASN 66 HA ASN 66 0.295 -4.059 -1.221 515 HB2 ASN 66 1HB ASN 66 0.288 -6.540 -1.355 516 HB3 ASN 66 2HB ASN 66 1.900 -5.844 -1.406 517 HD21 ASN 66 2HD2 ASN 66 1.018 -8.527 -0.715 518 HD22 ASN 66 1HD2 ASN 66 1.611 -8.839 0.876 519 H ILE 67 H ILE 67 -1.604 -3.256 -0.612 520 HA ILE 67 HA ILE 67 -3.112 -4.561 1.533 521 HB ILE 67 HB ILE 67 -3.944 -2.194 -0.160 522 HG12 ILE 67 1HG1 ILE 67 -2.670 -2.210 2.588 523 HG13 ILE 67 2HG1 ILE 67 -1.883 -1.691 1.101 524 HG21 ILE 67 1HG2 ILE 67 -5.530 -1.785 1.680 525 HG22 ILE 67 2HG2 ILE 67 -4.988 -3.271 2.458 526 HG23 ILE 67 3HG2 ILE 67 -5.800 -3.340 0.894 527 HD11 ILE 67 3HD1 ILE 67 -4.288 -0.400 2.366 528 HD12 ILE 67 1HD1 ILE 67 -3.494 0.124 0.881 529 HD13 ILE 67 2HD1 ILE 67 -2.632 0.205 2.418 530 H ILE 68 H ILE 68 -3.903 -6.461 0.775 531 HA ILE 68 HA ILE 68 -4.834 -6.589 -1.988 532 HB ILE 68 HB ILE 68 -4.429 -8.813 0.020 533 HG12 ILE 68 1HG1 ILE 68 -2.766 -7.948 -2.358 534 HG13 ILE 68 2HG1 ILE 68 -2.342 -7.697 -0.668 535 HG21 ILE 68 1HG2 ILE 68 -5.049 -8.923 -2.932 536 HG22 ILE 68 2HG2 ILE 68 -6.134 -9.385 -1.621 537 HG23 ILE 68 3HG2 ILE 68 -4.662 -10.311 -1.914 538 HD11 ILE 68 3HD1 ILE 68 -2.215 -10.111 -0.344 539 HD12 ILE 68 1HD1 ILE 68 -1.123 -9.562 -1.615 540 HD13 ILE 68 2HD1 ILE 68 -2.638 -10.357 -2.038 541 H TYR 69 H TYR 69 -6.867 -6.121 -2.343 542 HA TYR 69 HA TYR 69 -8.892 -6.754 -0.326 543 HB2 TYR 69 1HB TYR 69 -8.817 -4.872 -2.662 544 HB3 TYR 69 2HB TYR 69 -10.362 -5.404 -2.005 545 HD1 TYR 69 HD1 TYR 69 -10.723 -5.072 0.523 546 HD2 TYR 69 HD2 TYR 69 -7.714 -3.047 -1.699 547 HE1 TYR 69 HE1 TYR 69 -10.595 -3.358 2.276 548 HE2 TYR 69 HE2 TYR 69 -7.577 -1.324 0.053 549 HH TYR 69 HH TYR 69 -8.986 -0.401 1.852 550 H GLN 70 H GLN 70 -10.373 -8.256 -0.609 551 HA GLN 70 HA GLN 70 -10.269 -9.839 -3.079 552 HB2 GLN 70 1HB GLN 70 -9.812 -10.885 -0.793 553 HB3 GLN 70 2HB GLN 70 -11.521 -10.642 -0.456 554 HG2 GLN 70 1HG GLN 70 -12.032 -11.983 -2.490 555 HG3 GLN 70 2HG GLN 70 -10.311 -12.345 -2.612 556 HE21 GLN 70 2HE2 GLN 70 -10.436 -14.489 -2.268 557 HE22 GLN 70 1HE2 GLN 70 -10.947 -15.200 -0.770 558 H LYS 71 H LYS 71 -11.964 -9.846 -4.399 559 HA LYS 71 HA LYS 71 -14.175 -8.155 -4.067 560 HB2 LYS 71 1HB LYS 71 -13.094 -9.630 -6.122 561 HB3 LYS 71 2HB LYS 71 -14.620 -10.452 -5.831 562 HG2 LYS 71 1HG LYS 71 -15.841 -8.404 -6.182 563 HG3 LYS 71 2HG LYS 71 -14.331 -7.500 -6.345 564 HD2 LYS 71 1HD LYS 71 -13.775 -9.025 -8.278 565 HD3 LYS 71 2HD LYS 71 -15.435 -9.613 -8.185 566 HE2 LYS 71 1HE LYS 71 -14.611 -6.746 -8.623 567 HE3 LYS 71 2HE LYS 71 -15.154 -7.855 -9.879 568 HZ1 LYS 71 3HZ LYS 71 -17.288 -8.030 -8.716 569 HZ2 LYS 71 1HZ LYS 71 -16.948 -6.437 -9.187 570 HZ3 LYS 71 2HZ LYS 71 -16.758 -6.898 -7.567 571 H LYS 72 H LYS 72 -16.321 -8.550 -3.528 572 HA LYS 72 HA LYS 72 -16.788 -10.426 -1.481 573 HB2 LYS 72 1HB LYS 72 -18.715 -8.798 -3.138 574 HB3 LYS 72 2HB LYS 72 -19.206 -9.784 -1.771 575 HG2 LYS 72 1HG LYS 72 -17.337 -7.428 -1.686 576 HG3 LYS 72 2HG LYS 72 -19.012 -7.464 -1.131 577 HD2 LYS 72 1HD LYS 72 -18.313 -9.304 0.452 578 HD3 LYS 72 2HD LYS 72 -16.645 -8.923 0.018 579 HE2 LYS 72 1HE LYS 72 -17.159 -7.745 2.030 580 HE3 LYS 72 2HE LYS 72 -17.085 -6.566 0.719 581 HZ1 LYS 72 3HZ LYS 72 -19.555 -7.723 1.904 582 HZ2 LYS 72 1HZ LYS 72 -19.519 -6.645 0.594 583 HZ3 LYS 72 2HZ LYS 72 -18.983 -6.142 2.120 584 H ALA 73 H ALA 73 -17.501 -10.496 -4.925 585 HA ALA 73 HA ALA 73 -18.556 -11.971 -6.288 586 HB1 ALA 73 3HB ALA 73 -18.176 -14.354 -5.901 587 HB2 ALA 73 1HB ALA 73 -17.624 -14.009 -4.262 588 HB3 ALA 73 2HB ALA 73 -16.696 -13.430 -5.646 589 HA PRO 74 HA PRO 74 -22.167 -11.795 -3.470 590 HB2 PRO 74 1HB PRO 74 -23.692 -10.133 -4.899 591 HB3 PRO 74 2HB PRO 74 -22.302 -9.548 -3.978 592 HG2 PRO 74 1HG PRO 74 -22.550 -10.066 -6.908 593 HG3 PRO 74 2HG PRO 74 -21.727 -8.741 -6.069 594 HD2 PRO 74 1HD PRO 74 -20.483 -10.996 -7.087 595 HD3 PRO 74 2HD PRO 74 -19.811 -9.946 -5.825 596 H GLU 75 H GLU 75 -21.651 -13.698 -5.895 597 HA GLU 75 HA GLU 75 -24.264 -14.868 -5.810 598 HB2 GLU 75 1HB GLU 75 -24.438 -13.095 -7.616 599 HB3 GLU 75 2HB GLU 75 -23.257 -14.025 -8.528 600 HG2 GLU 75 1HG GLU 75 -24.790 -15.957 -8.476 601 HG3 GLU 75 2HG GLU 75 -25.984 -14.947 -7.661 602 H GLN 76 H GLN 76 -23.949 -16.986 -5.729 603 HA GLN 76 HA GLN 76 -21.366 -18.096 -6.341 604 HB2 GLN 76 1HB GLN 76 -23.935 -19.435 -5.463 605 HB3 GLN 76 2HB GLN 76 -22.372 -20.234 -5.583 606 HG2 GLN 76 1HG GLN 76 -21.476 -18.692 -3.890 607 HG3 GLN 76 2HG GLN 76 -23.069 -17.953 -3.746 608 HE21 GLN 76 2HE2 GLN 76 -21.449 -19.306 -1.742 609 HE22 GLN 76 1HE2 GLN 76 -22.424 -20.602 -1.140 610 H ALA 77 H ALA 77 -21.246 -20.174 -7.644 611 HA ALA 77 HA ALA 77 -22.227 -19.521 -10.285 612 HB1 ALA 77 3HB ALA 77 -20.488 -21.805 -9.365 613 HB2 ALA 77 1HB ALA 77 -19.917 -20.244 -9.954 614 HB3 ALA 77 2HB ALA 77 -20.782 -21.333 -11.039 615 H LEU 78 H LEU 78 -23.652 -21.016 -7.807 616 HA LEU 78 HA LEU 78 -24.763 -23.316 -9.126 617 HB2 LEU 78 1HB LEU 78 -25.666 -21.919 -6.604 618 HB3 LEU 78 2HB LEU 78 -26.171 -23.510 -7.137 619 HG LEU 78 HG LEU 78 -23.377 -22.737 -6.294 620 HD11 LEU 78 1HD1 LEU 78 -24.916 -22.847 -4.419 621 HD12 LEU 78 2HD1 LEU 78 -23.801 -24.213 -4.388 622 HD13 LEU 78 3HD1 LEU 78 -25.460 -24.442 -4.941 623 HD21 LEU 78 3HD2 LEU 78 -23.362 -24.444 -8.037 624 HD22 LEU 78 1HD2 LEU 78 -24.499 -25.416 -7.102 625 HD23 LEU 78 2HD2 LEU 78 -22.876 -25.117 -6.480 626 H GLU 79 H GLU 79 -25.439 -19.973 -8.989 627 HA GLU 79 HA GLU 79 -28.264 -20.190 -9.500 628 HB2 GLU 79 1HB GLU 79 -26.398 -17.814 -9.535 629 HB3 GLU 79 2HB GLU 79 -28.140 -17.713 -9.752 630 HG2 GLU 79 1HG GLU 79 -26.715 -18.723 -7.303 631 HG3 GLU 79 2HG GLU 79 -27.510 -17.159 -7.480 632 H HIS 80 H HIS 80 -29.250 -20.275 -11.373 633 HA HIS 80 HA HIS 80 -29.757 -20.073 -13.568 634 HB2 HIS 80 1HB HIS 80 -27.227 -18.439 -13.663 635 HB3 HIS 80 2HB HIS 80 -28.175 -18.790 -15.104 636 HD1 HIS 80 HD1 HIS 80 -29.316 -16.660 -15.662 637 HD2 HIS 80 HD2 HIS 80 -29.493 -17.507 -11.589 638 HE1 HIS 80 HE1 HIS 80 -30.769 -14.868 -14.653 639 HE2 HIS 80 HE2 HIS 80 -30.935 -15.446 -12.201 640 H HIS 81 H HIS 81 -29.756 -21.713 -14.872 641 HA HIS 81 HA HIS 81 -27.596 -23.630 -14.676 642 HB2 HIS 81 1HB HIS 81 -30.338 -23.722 -15.920 643 HB3 HIS 81 2HB HIS 81 -29.175 -25.030 -16.104 644 HD1 HIS 81 HD1 HIS 81 -29.079 -26.720 -14.290 645 HD2 HIS 81 HD2 HIS 81 -31.111 -23.277 -13.133 646 HE1 HIS 81 HE1 HIS 81 -30.061 -27.234 -12.031 647 HE2 HIS 81 HE2 HIS 81 -31.233 -25.123 -11.318 648 H HIS 82 H HIS 82 -25.994 -23.734 -16.016 649 HA HIS 82 HA HIS 82 -26.439 -23.034 -18.847 650 HB2 HIS 82 1HB HIS 82 -23.889 -22.821 -17.220 651 HB3 HIS 82 2HB HIS 82 -23.971 -22.609 -18.964 652 HD1 HIS 82 HD1 HIS 82 -24.408 -20.297 -19.780 653 HD2 HIS 82 HD2 HIS 82 -25.419 -20.776 -15.771 654 HE1 HIS 82 HE1 HIS 82 -25.015 -18.004 -18.952 655 HE2 HIS 82 HE2 HIS 82 -25.441 -18.286 -16.484 656 H HIS 83 H HIS 83 -25.122 -24.373 -20.353 657 HA HIS 83 HA HIS 83 -25.431 -27.139 -19.621 658 HB2 HIS 83 1HB HIS 83 -24.240 -25.933 -22.129 659 HB3 HIS 83 2HB HIS 83 -24.674 -27.624 -21.909 660 HD1 HIS 83 HD1 HIS 83 -25.837 -25.269 -23.909 661 HD2 HIS 83 HD2 HIS 83 -27.716 -27.181 -20.730 662 HE1 HIS 83 HE1 HIS 83 -28.307 -25.040 -24.342 663 HE2 HIS 83 HE2 HIS 83 -29.417 -26.013 -22.297 664 H HIS 84 H HIS 84 -22.883 -24.842 -19.641 665 HA HIS 84 HA HIS 84 -20.903 -26.986 -19.247 666 HB2 HIS 84 1HB HIS 84 -20.514 -24.154 -20.238 667 HB3 HIS 84 2HB HIS 84 -19.200 -25.267 -19.875 668 HD1 HIS 84 HD1 HIS 84 -18.428 -26.694 -21.747 669 HD2 HIS 84 HD2 HIS 84 -22.225 -25.142 -22.423 670 HE1 HIS 84 HE1 HIS 84 -19.032 -27.373 -24.094 671 HE2 HIS 84 HE2 HIS 84 -21.414 -26.604 -24.396 672 H HIS 85 H HIS 85 -19.883 -27.119 -17.352 673 HA HIS 85 HA HIS 85 -20.156 -24.873 -15.473 674 HB2 HIS 85 1HB HIS 85 -19.697 -27.818 -14.969 675 HB3 HIS 85 2HB HIS 85 -19.500 -26.591 -13.724 676 HD1 HIS 85 HD1 HIS 85 -21.878 -28.940 -14.828 677 HD2 HIS 85 HD2 HIS 85 -22.096 -24.974 -13.586 678 HE1 HIS 85 HE1 HIS 85 -24.276 -28.568 -14.141 679 HE2 HIS 85 HE2 HIS 85 -24.346 -26.203 -13.260 Start of MODEL 6 1 H1 MET 1 1H MET 1 22.508 14.146 -4.892 2 H2 MET 1 2H MET 1 22.941 15.427 -3.872 3 H3 MET 1 3H MET 1 21.385 14.753 -3.779 4 HA MET 1 HA MET 1 23.924 13.376 -3.115 5 HB2 MET 1 1HB MET 1 21.673 14.359 -1.348 6 HB3 MET 1 2HB MET 1 22.995 13.339 -0.802 7 HG2 MET 1 1HG MET 1 24.575 15.135 -1.454 8 HG3 MET 1 2HG MET 1 23.192 16.156 -1.837 9 HE1 MET 1 3HE MET 1 21.353 16.876 0.020 10 HE2 MET 1 1HE MET 1 21.475 16.425 1.721 11 HE3 MET 1 2HE MET 1 21.169 15.189 0.502 12 H ASP 2 H ASP 2 23.739 11.222 -2.498 13 HA ASP 2 HA ASP 2 21.354 9.871 -3.508 14 HB2 ASP 2 1HB ASP 2 24.036 8.801 -2.599 15 HB3 ASP 2 2HB ASP 2 22.708 7.792 -3.162 16 H PHE 3 H PHE 3 23.333 10.083 -0.587 17 HA PHE 3 HA PHE 3 21.391 8.604 0.965 18 HB2 PHE 3 1HB PHE 3 24.108 9.082 1.221 19 HB3 PHE 3 2HB PHE 3 23.401 10.093 2.477 20 HD1 PHE 3 HD2 PHE 3 23.838 6.663 1.266 21 HD2 PHE 3 HD1 PHE 3 22.320 9.121 4.390 22 HE1 PHE 3 HE2 PHE 3 23.603 4.681 2.706 23 HE2 PHE 3 HE1 PHE 3 22.081 7.144 5.833 24 HZ PHE 3 HZ PHE 3 22.721 4.921 4.991 25 H GLY 4 H GLY 4 20.661 9.660 3.106 26 HA2 GLY 4 1HA GLY 4 19.318 11.251 4.095 27 HA3 GLY 4 2HA GLY 4 20.201 12.460 3.168 28 H LYS 5 H LYS 5 18.441 9.740 1.878 29 HA LYS 5 HA LYS 5 16.868 11.576 0.238 30 HB2 LYS 5 1HB LYS 5 18.200 9.856 -0.908 31 HB3 LYS 5 2HB LYS 5 17.364 8.600 -0.010 32 HG2 LYS 5 1HG LYS 5 15.242 9.341 -1.084 33 HG3 LYS 5 2HG LYS 5 16.196 10.439 -2.082 34 HD2 LYS 5 1HD LYS 5 17.446 8.550 -2.985 35 HD3 LYS 5 2HD LYS 5 16.528 7.442 -1.963 36 HE2 LYS 5 1HE LYS 5 15.596 7.381 -4.166 37 HE3 LYS 5 2HE LYS 5 14.456 8.206 -3.106 38 HZ1 LYS 5 3HZ LYS 5 15.450 10.335 -3.940 39 HZ2 LYS 5 1HZ LYS 5 14.579 9.448 -5.094 40 HZ3 LYS 5 2HZ LYS 5 16.275 9.421 -5.107 41 HA PRO 6 HA PRO 6 13.192 10.642 2.628 42 HB2 PRO 6 1HB PRO 6 11.786 11.463 0.163 43 HB3 PRO 6 2HB PRO 6 11.668 12.125 1.795 44 HG2 PRO 6 1HG PRO 6 12.901 13.466 -0.168 45 HG3 PRO 6 2HG PRO 6 13.485 13.523 1.505 46 HD2 PRO 6 1HD PRO 6 14.538 11.960 -0.821 47 HD3 PRO 6 2HD PRO 6 15.426 12.811 0.461 48 H ASN 7 H ASN 7 12.806 8.513 2.827 49 HA ASN 7 HA ASN 7 12.665 6.778 0.547 50 HB2 ASN 7 1HB ASN 7 12.314 6.316 3.505 51 HB3 ASN 7 2HB ASN 7 12.055 5.038 2.319 52 HD21 ASN 7 2HD2 ASN 7 14.062 5.274 4.438 53 HD22 ASN 7 1HD2 ASN 7 15.593 5.160 3.647 54 H GLN 8 H GLN 8 10.937 5.914 -0.412 55 HA GLN 8 HA GLN 8 8.391 7.200 0.252 56 HB2 GLN 8 1HB GLN 8 9.288 5.867 -2.307 57 HB3 GLN 8 2HB GLN 8 7.766 6.718 -2.069 58 HG2 GLN 8 1HG GLN 8 8.922 8.800 -1.741 59 HG3 GLN 8 2HG GLN 8 10.484 7.984 -1.806 60 HE21 GLN 8 2HE2 GLN 8 9.425 10.145 -3.446 61 HE22 GLN 8 1HE2 GLN 8 9.491 9.585 -5.084 62 H VAL 9 H VAL 9 7.037 6.020 1.396 63 HA VAL 9 HA VAL 9 6.981 3.117 1.121 64 HB VAL 9 HB VAL 9 5.375 4.948 2.919 65 HG11 VAL 9 1HG1 VAL 9 4.690 2.911 4.083 66 HG12 VAL 9 2HG1 VAL 9 5.545 1.938 2.887 67 HG13 VAL 9 3HG1 VAL 9 4.150 2.902 2.405 68 HG21 VAL 9 3HG2 VAL 9 6.782 4.027 4.709 69 HG22 VAL 9 1HG2 VAL 9 7.727 4.903 3.505 70 HG23 VAL 9 2HG2 VAL 9 7.715 3.139 3.503 71 H THR 10 H THR 10 5.870 2.337 -0.547 72 HA THR 10 HA THR 10 3.773 3.966 -1.744 73 HB THR 10 HB THR 10 4.967 1.381 -2.757 74 HG1 THR 10 HG1 THR 10 6.355 3.394 -2.476 75 HG21 THR 10 3HG2 THR 10 2.792 1.909 -3.743 76 HG22 THR 10 1HG2 THR 10 4.080 2.125 -4.927 77 HG23 THR 10 2HG2 THR 10 3.356 3.531 -4.146 78 H VAL 11 H VAL 11 1.787 3.704 -1.009 79 HA VAL 11 HA VAL 11 0.888 1.144 0.042 80 HB VAL 11 HB VAL 11 -0.619 3.752 -0.263 81 HG11 VAL 11 1HG1 VAL 11 -2.117 1.849 -0.159 82 HG12 VAL 11 2HG1 VAL 11 -2.200 2.770 1.343 83 HG13 VAL 11 3HG1 VAL 11 -1.298 1.255 1.285 84 HG21 VAL 11 3HG2 VAL 11 0.761 2.572 2.147 85 HG22 VAL 11 1HG2 VAL 11 -0.258 4.012 2.157 86 HG23 VAL 11 2HG2 VAL 11 1.258 4.010 1.255 87 H ASN 12 H ASN 12 0.288 -0.340 -1.405 88 HA ASN 12 HA ASN 12 -0.979 0.592 -3.899 89 HB2 ASN 12 1HB ASN 12 1.341 -0.558 -3.964 90 HB3 ASN 12 2HB ASN 12 0.460 -2.038 -3.605 91 HD21 ASN 12 2HD2 ASN 12 1.987 -1.442 -5.949 92 HD22 ASN 12 1HD2 ASN 12 0.906 -1.511 -7.295 93 H TYR 13 H TYR 13 -2.962 -0.123 -4.335 94 HA TYR 13 HA TYR 13 -4.158 -2.096 -2.536 95 HB2 TYR 13 1HB TYR 13 -5.494 -0.265 -4.547 96 HB3 TYR 13 2HB TYR 13 -6.308 -1.273 -3.354 97 HD1 TYR 13 HD1 TYR 13 -5.827 -0.776 -0.873 98 HD2 TYR 13 HD2 TYR 13 -4.892 1.932 -4.019 99 HE1 TYR 13 HE1 TYR 13 -5.759 1.073 0.747 100 HE2 TYR 13 HE2 TYR 13 -4.817 3.787 -2.408 101 HH TYR 13 HH TYR 13 -4.780 3.307 0.968 102 H LEU 14 H LEU 14 -4.030 -4.127 -3.222 103 HA LEU 14 HA LEU 14 -3.786 -4.586 -6.120 104 HB2 LEU 14 1HB LEU 14 -2.693 -6.167 -3.798 105 HB3 LEU 14 2HB LEU 14 -2.521 -6.614 -5.485 106 HG LEU 14 HG LEU 14 -1.409 -4.096 -4.248 107 HD11 LEU 14 1HD1 LEU 14 -0.039 -6.652 -5.065 108 HD12 LEU 14 2HD1 LEU 14 -0.277 -6.081 -3.413 109 HD13 LEU 14 3HD1 LEU 14 0.762 -5.180 -4.518 110 HD21 LEU 14 3HD2 LEU 14 -1.028 -5.315 -6.975 111 HD22 LEU 14 1HD2 LEU 14 -0.227 -3.868 -6.363 112 HD23 LEU 14 2HD2 LEU 14 -1.974 -3.873 -6.610 113 H ASP 15 H ASP 15 -4.936 -6.113 -7.122 114 HA ASP 15 HA ASP 15 -7.112 -7.456 -5.805 115 HB2 ASP 15 1HB ASP 15 -7.157 -6.645 -8.197 116 HB3 ASP 15 2HB ASP 15 -5.995 -7.902 -8.592 117 H GLU 16 H GLU 16 -7.277 -9.919 -6.283 118 HA GLU 16 HA GLU 16 -5.088 -11.240 -4.996 119 HB2 GLU 16 1HB GLU 16 -7.589 -12.385 -6.254 120 HB3 GLU 16 2HB GLU 16 -6.460 -13.272 -5.241 121 HG2 GLU 16 1HG GLU 16 -7.003 -11.807 -3.361 122 HG3 GLU 16 2HG GLU 16 -8.153 -10.938 -4.381 123 H ASN 17 H ASN 17 -6.264 -10.779 -8.224 124 HA ASN 17 HA ASN 17 -4.484 -12.668 -9.482 125 HB2 ASN 17 1HB ASN 17 -5.833 -10.215 -10.652 126 HB3 ASN 17 2HB ASN 17 -5.088 -11.519 -11.566 127 HD21 ASN 17 2HD2 ASN 17 -7.813 -10.483 -11.611 128 HD22 ASN 17 1HD2 ASN 17 -8.846 -11.834 -11.280 129 H ASN 18 H ASN 18 -3.961 -10.120 -7.674 130 HA ASN 18 HA ASN 18 -2.392 -8.625 -7.253 131 HB2 ASN 18 1HB ASN 18 -0.869 -10.590 -7.476 132 HB3 ASN 18 2HB ASN 18 -0.634 -10.180 -9.174 133 HD21 ASN 18 2HD2 ASN 18 1.552 -9.761 -9.002 134 HD22 ASN 18 1HD2 ASN 18 2.183 -8.398 -8.131 135 H THR 19 H THR 19 -3.666 -7.063 -8.264 136 HA THR 19 HA THR 19 -2.275 -5.685 -10.396 137 HB THR 19 HB THR 19 -5.220 -6.343 -10.699 138 HG1 THR 19 HG1 THR 19 -2.967 -7.722 -11.453 139 HG21 THR 19 3HG2 THR 19 -4.952 -5.377 -12.938 140 HG22 THR 19 1HG2 THR 19 -3.270 -4.998 -12.573 141 HG23 THR 19 2HG2 THR 19 -4.566 -4.201 -11.682 142 H SER 20 H SER 20 -2.368 -3.514 -10.018 143 HA SER 20 HA SER 20 -3.589 -2.543 -7.669 144 HB2 SER 20 1HB SER 20 -2.518 -0.989 -10.034 145 HB3 SER 20 2HB SER 20 -2.815 -0.349 -8.418 146 HG SER 20 HG SER 20 -1.167 -1.557 -7.616 147 H ILE 21 H ILE 21 -5.742 -2.740 -7.561 148 HA ILE 21 HA ILE 21 -7.470 -2.137 -9.782 149 HB ILE 21 HB ILE 21 -9.308 -2.554 -8.122 150 HG12 ILE 21 1HG1 ILE 21 -6.980 -3.232 -6.306 151 HG13 ILE 21 2HG1 ILE 21 -8.092 -1.884 -6.093 152 HG21 ILE 21 1HG2 ILE 21 -8.471 -4.314 -9.571 153 HG22 ILE 21 2HG2 ILE 21 -8.892 -4.967 -7.988 154 HG23 ILE 21 3HG2 ILE 21 -7.201 -4.691 -8.406 155 HD11 ILE 21 3HD1 ILE 21 -8.617 -3.728 -4.601 156 HD12 ILE 21 1HD1 ILE 21 -8.825 -4.800 -5.985 157 HD13 ILE 21 2HD1 ILE 21 -9.928 -3.442 -5.747 158 H ALA 22 H ALA 22 -6.091 -0.395 -7.210 159 HA ALA 22 HA ALA 22 -7.737 1.926 -7.932 160 HB1 ALA 22 3HB ALA 22 -8.520 1.115 -5.762 161 HB2 ALA 22 1HB ALA 22 -7.718 2.678 -5.604 162 HB3 ALA 22 2HB ALA 22 -6.875 1.202 -5.131 163 HA PRO 23 HA PRO 23 -3.939 4.126 -8.614 164 HB2 PRO 23 1HB PRO 23 -5.197 6.230 -6.910 165 HB3 PRO 23 2HB PRO 23 -4.443 6.375 -8.503 166 HG2 PRO 23 1HG PRO 23 -7.090 6.406 -8.257 167 HG3 PRO 23 2HG PRO 23 -6.314 5.560 -9.608 168 HD2 PRO 23 1HD PRO 23 -7.571 4.447 -7.145 169 HD3 PRO 23 2HD PRO 23 -7.528 3.783 -8.790 170 H SER 24 H SER 24 -2.185 3.502 -7.562 171 HA SER 24 HA SER 24 -2.150 3.355 -4.667 172 HB2 SER 24 1HB SER 24 0.228 2.437 -5.199 173 HB3 SER 24 2HB SER 24 -1.176 1.457 -5.622 174 HG SER 24 HG SER 24 -0.940 1.999 -7.739 175 H LEU 25 H LEU 25 -0.716 4.480 -3.340 176 HA LEU 25 HA LEU 25 0.587 6.799 -4.587 177 HB2 LEU 25 1HB LEU 25 -0.222 8.175 -2.656 178 HB3 LEU 25 2HB LEU 25 -1.471 7.663 -3.771 179 HG LEU 25 HG LEU 25 -1.761 5.701 -2.012 180 HD11 LEU 25 1HD1 LEU 25 -0.672 7.949 -0.324 181 HD12 LEU 25 2HD1 LEU 25 0.096 6.383 -0.584 182 HD13 LEU 25 3HD1 LEU 25 -1.441 6.479 0.275 183 HD21 LEU 25 3HD2 LEU 25 -3.499 7.254 -2.681 184 HD22 LEU 25 1HD2 LEU 25 -2.819 8.497 -1.630 185 HD23 LEU 25 2HD2 LEU 25 -3.510 7.033 -0.931 186 H TYR 26 H TYR 26 2.478 7.507 -3.583 187 HA TYR 26 HA TYR 26 3.437 5.710 -1.470 188 HB2 TYR 26 1HB TYR 26 5.745 6.243 -2.274 189 HB3 TYR 26 2HB TYR 26 4.762 5.342 -3.417 190 HD1 TYR 26 HD1 TYR 26 6.266 8.629 -2.688 191 HD2 TYR 26 HD2 TYR 26 4.201 6.257 -5.554 192 HE1 TYR 26 HE1 TYR 26 6.809 10.272 -4.432 193 HE2 TYR 26 HE2 TYR 26 4.733 7.899 -7.304 194 HH TYR 26 HH TYR 26 7.027 10.407 -6.823 195 H LEU 27 H LEU 27 4.130 6.494 0.375 196 HA LEU 27 HA LEU 27 3.831 9.334 0.881 197 HB2 LEU 27 1HB LEU 27 4.571 7.063 2.730 198 HB3 LEU 27 2HB LEU 27 4.211 8.705 3.229 199 HG LEU 27 HG LEU 27 2.245 6.919 1.820 200 HD11 LEU 27 1HD1 LEU 27 2.513 7.511 4.765 201 HD12 LEU 27 2HD1 LEU 27 2.824 5.960 3.986 202 HD13 LEU 27 3HD1 LEU 27 1.189 6.623 4.011 203 HD21 LEU 27 3HD2 LEU 27 0.606 8.554 2.593 204 HD22 LEU 27 1HD2 LEU 27 1.822 9.299 1.555 205 HD23 LEU 27 2HD2 LEU 27 1.902 9.516 3.304 206 H SER 28 H SER 28 5.448 10.680 0.677 207 HA SER 28 HA SER 28 8.187 9.646 0.663 208 HB2 SER 28 1HB SER 28 7.198 12.402 -0.108 209 HB3 SER 28 2HB SER 28 8.800 11.730 -0.415 210 HG SER 28 HG SER 28 6.576 10.327 -1.362 211 H GLY 29 H GLY 29 8.694 9.409 2.803 212 HA2 GLY 29 1HA GLY 29 8.422 11.826 4.481 213 HA3 GLY 29 2HA GLY 29 8.239 10.193 5.103 214 H LEU 30 H LEU 30 9.874 11.155 6.622 215 HA LEU 30 HA LEU 30 12.584 11.188 5.505 216 HB2 LEU 30 1HB LEU 30 11.595 11.985 8.247 217 HB3 LEU 30 2HB LEU 30 13.247 12.140 7.677 218 HG LEU 30 HG LEU 30 10.849 13.619 6.591 219 HD11 LEU 30 1HD1 LEU 30 11.949 15.593 7.512 220 HD12 LEU 30 2HD1 LEU 30 13.224 14.575 8.181 221 HD13 LEU 30 3HD1 LEU 30 11.570 14.422 8.774 222 HD21 LEU 30 3HD2 LEU 30 12.472 13.103 4.834 223 HD22 LEU 30 1HD2 LEU 30 13.757 13.808 5.813 224 HD23 LEU 30 2HD2 LEU 30 12.450 14.826 5.207 225 H PHE 31 H PHE 31 14.302 10.100 6.779 226 HA PHE 31 HA PHE 31 13.689 7.374 7.121 227 HB2 PHE 31 1HB PHE 31 15.930 8.196 6.487 228 HB3 PHE 31 2HB PHE 31 16.120 8.891 8.094 229 HD1 PHE 31 HD2 PHE 31 15.542 5.674 6.342 230 HD2 PHE 31 HD1 PHE 31 17.030 7.629 9.813 231 HE1 PHE 31 HE2 PHE 31 16.448 3.538 7.151 232 HE2 PHE 31 HE1 PHE 31 17.940 5.495 10.629 233 HZ PHE 31 HZ PHE 31 17.649 3.446 9.299 234 H ASN 32 H ASN 32 12.967 6.269 8.793 235 HA ASN 32 HA ASN 32 12.052 5.777 10.785 236 HB2 ASN 32 1HB ASN 32 14.400 5.972 11.577 237 HB3 ASN 32 2HB ASN 32 14.100 7.663 11.968 238 HD21 ASN 32 2HD2 ASN 32 14.549 7.288 14.153 239 HD22 ASN 32 1HD2 ASN 32 13.424 6.471 15.189 240 H GLU 33 H GLU 33 10.234 6.932 9.900 241 HA GLU 33 HA GLU 33 9.440 9.099 11.699 242 HB2 GLU 33 1HB GLU 33 10.000 10.138 9.570 243 HB3 GLU 33 2HB GLU 33 8.987 8.992 8.709 244 HG2 GLU 33 1HG GLU 33 7.005 9.926 9.697 245 HG3 GLU 33 2HG GLU 33 7.974 10.994 10.711 246 H ALA 34 H ALA 34 7.410 8.888 12.511 247 HA ALA 34 HA ALA 34 6.173 6.303 12.160 248 HB1 ALA 34 3HB ALA 34 5.388 8.604 13.945 249 HB2 ALA 34 1HB ALA 34 6.428 7.252 14.395 250 HB3 ALA 34 2HB ALA 34 4.729 6.969 14.012 251 H TYR 35 H TYR 35 4.974 6.061 10.376 252 HA TYR 35 HA TYR 35 3.069 8.202 9.698 253 HB2 TYR 35 1HB TYR 35 3.123 7.482 7.411 254 HB3 TYR 35 2HB TYR 35 4.790 7.642 7.947 255 HD1 TYR 35 HD1 TYR 35 6.161 5.624 8.346 256 HD2 TYR 35 HD2 TYR 35 2.222 5.354 6.765 257 HE1 TYR 35 HE1 TYR 35 6.618 3.324 7.610 258 HE2 TYR 35 HE2 TYR 35 2.667 3.051 6.030 259 HH TYR 35 HH TYR 35 5.214 1.240 7.132 260 H ASN 36 H ASN 36 1.028 7.462 8.746 261 HA ASN 36 HA ASN 36 0.147 4.887 9.872 262 HB2 ASN 36 1HB ASN 36 -1.396 7.461 9.478 263 HB3 ASN 36 2HB ASN 36 -2.151 5.925 9.893 264 HD21 ASN 36 2HD2 ASN 36 -0.096 8.504 11.005 265 HD22 ASN 36 1HD2 ASN 36 -0.177 8.106 12.686 266 H VAL 37 H VAL 37 -0.568 3.420 8.459 267 HA VAL 37 HA VAL 37 -0.461 4.077 5.653 268 HB VAL 37 HB VAL 37 0.499 1.969 6.327 269 HG11 VAL 37 1HG1 VAL 37 -0.812 1.488 8.300 270 HG12 VAL 37 2HG1 VAL 37 -0.883 0.123 7.184 271 HG13 VAL 37 3HG1 VAL 37 -2.252 1.228 7.313 272 HG21 VAL 37 3HG2 VAL 37 -2.031 1.550 4.742 273 HG22 VAL 37 1HG2 VAL 37 -0.651 0.453 4.782 274 HG23 VAL 37 2HG2 VAL 37 -0.472 2.071 4.104 275 HA PRO 38 HA PRO 38 -4.842 4.943 5.587 276 HB2 PRO 38 1HB PRO 38 -4.478 5.498 2.752 277 HB3 PRO 38 2HB PRO 38 -4.885 6.611 4.059 278 HG2 PRO 38 1HG PRO 38 -2.492 6.650 2.772 279 HG3 PRO 38 2HG PRO 38 -2.694 7.149 4.461 280 HD2 PRO 38 1HD PRO 38 -1.653 4.567 3.358 281 HD3 PRO 38 2HD PRO 38 -1.079 5.517 4.746 282 H MET 39 H MET 39 -5.719 2.892 5.787 283 HA MET 39 HA MET 39 -5.878 1.240 3.384 284 HB2 MET 39 1HB MET 39 -6.860 0.755 6.206 285 HB3 MET 39 2HB MET 39 -7.076 -0.373 4.875 286 HG2 MET 39 1HG MET 39 -4.643 -0.550 4.644 287 HG3 MET 39 2HG MET 39 -4.444 0.553 6.002 288 HE1 MET 39 3HE MET 39 -5.110 -0.035 8.503 289 HE2 MET 39 1HE MET 39 -5.923 -1.530 8.968 290 HE3 MET 39 2HE MET 39 -6.757 -0.349 7.957 291 H LYS 40 H LYS 40 -7.123 2.635 2.136 292 HA LYS 40 HA LYS 40 -9.637 3.623 3.147 293 HB2 LYS 40 1HB LYS 40 -8.443 3.840 0.377 294 HB3 LYS 40 2HB LYS 40 -9.827 4.743 0.983 295 HG2 LYS 40 1HG LYS 40 -8.361 5.769 2.688 296 HG3 LYS 40 2HG LYS 40 -6.987 4.931 1.966 297 HD2 LYS 40 1HD LYS 40 -7.456 6.093 -0.168 298 HD3 LYS 40 2HD LYS 40 -8.750 6.986 0.636 299 HE2 LYS 40 1HE LYS 40 -7.073 7.856 2.248 300 HE3 LYS 40 2HE LYS 40 -5.812 7.053 1.316 301 HZ1 LYS 40 3HZ LYS 40 -6.472 8.402 -0.610 302 HZ2 LYS 40 1HZ LYS 40 -5.955 9.357 0.694 303 HZ3 LYS 40 2HZ LYS 40 -7.610 9.210 0.350 304 H LYS 41 H LYS 41 -11.628 2.906 2.665 305 HA LYS 41 HA LYS 41 -11.818 0.195 1.756 306 HB2 LYS 41 1HB LYS 41 -13.257 0.891 3.567 307 HB3 LYS 41 2HB LYS 41 -13.940 2.181 2.585 308 HG2 LYS 41 1HG LYS 41 -14.792 0.377 1.025 309 HG3 LYS 41 2HG LYS 41 -14.332 -0.786 2.268 310 HD2 LYS 41 1HD LYS 41 -15.829 0.254 3.853 311 HD3 LYS 41 2HD LYS 41 -16.218 1.529 2.695 312 HE2 LYS 41 1HE LYS 41 -17.165 -0.159 1.181 313 HE3 LYS 41 2HE LYS 41 -16.807 -1.412 2.367 314 HZ1 LYS 41 3HZ LYS 41 -19.093 -0.781 2.539 315 HZ2 LYS 41 1HZ LYS 41 -18.689 0.860 2.709 316 HZ3 LYS 41 2HZ LYS 41 -18.283 -0.242 3.930 317 H ILE 42 H ILE 42 -11.398 0.022 -0.413 318 HA ILE 42 HA ILE 42 -12.909 1.461 -2.364 319 HB ILE 42 HB ILE 42 -11.777 -1.329 -2.685 320 HG12 ILE 42 1HG1 ILE 42 -10.374 1.312 -3.171 321 HG13 ILE 42 2HG1 ILE 42 -10.038 0.223 -1.828 322 HG21 ILE 42 1HG2 ILE 42 -11.626 -0.675 -5.055 323 HG22 ILE 42 2HG2 ILE 42 -12.362 0.879 -4.659 324 HG23 ILE 42 3HG2 ILE 42 -13.283 -0.611 -4.452 325 HD11 ILE 42 3HD1 ILE 42 -9.668 -0.416 -4.743 326 HD12 ILE 42 1HD1 ILE 42 -9.306 -1.489 -3.391 327 HD13 ILE 42 2HD1 ILE 42 -8.391 0.004 -3.603 328 H LYS 43 H LYS 43 -15.054 1.274 -2.619 329 HA LYS 43 HA LYS 43 -16.532 -0.231 -0.803 330 HB2 LYS 43 1HB LYS 43 -18.519 0.480 -2.038 331 HB3 LYS 43 2HB LYS 43 -17.399 1.809 -1.787 332 HG2 LYS 43 1HG LYS 43 -16.637 1.634 -4.079 333 HG3 LYS 43 2HG LYS 43 -17.694 0.244 -4.340 334 HD2 LYS 43 1HD LYS 43 -19.625 1.726 -3.731 335 HD3 LYS 43 2HD LYS 43 -18.500 3.086 -3.754 336 HE2 LYS 43 1HE LYS 43 -19.702 2.897 -5.869 337 HE3 LYS 43 2HE LYS 43 -17.974 2.623 -6.088 338 HZ1 LYS 43 3HZ LYS 43 -19.842 0.365 -5.697 339 HZ2 LYS 43 1HZ LYS 43 -18.293 0.351 -6.386 340 HZ3 LYS 43 2HZ LYS 43 -19.593 1.039 -7.229 341 H GLY 44 H GLY 44 -16.867 -2.297 -0.692 342 HA2 GLY 44 1HA GLY 44 -17.962 -4.236 -1.437 343 HA3 GLY 44 2HA GLY 44 -17.702 -3.724 -3.096 344 H TYR 45 H TYR 45 -15.045 -3.582 -0.893 345 HA TYR 45 HA TYR 45 -14.037 -6.138 -1.937 346 HB2 TYR 45 1HB TYR 45 -12.560 -3.523 -1.671 347 HB3 TYR 45 2HB TYR 45 -11.732 -5.067 -1.836 348 HD1 TYR 45 HD2 TYR 45 -13.928 -2.644 -3.537 349 HD2 TYR 45 HD1 TYR 45 -11.611 -6.186 -3.950 350 HE1 TYR 45 HE2 TYR 45 -14.108 -2.468 -5.983 351 HE2 TYR 45 HE1 TYR 45 -11.783 -6.020 -6.399 352 HH TYR 45 HH TYR 45 -12.916 -3.208 -7.973 353 H THR 46 H THR 46 -13.179 -7.493 -0.529 354 HA THR 46 HA THR 46 -13.119 -6.806 2.310 355 HB THR 46 HB THR 46 -12.767 -9.409 0.804 356 HG1 THR 46 HG1 THR 46 -14.817 -9.703 1.139 357 HG21 THR 46 3HG2 THR 46 -12.857 -10.548 2.973 358 HG22 THR 46 1HG2 THR 46 -12.851 -8.985 3.791 359 HG23 THR 46 2HG2 THR 46 -11.445 -9.498 2.857 360 H LEU 47 H LEU 47 -11.131 -7.023 3.574 361 HA LEU 47 HA LEU 47 -8.778 -6.454 1.999 362 HB2 LEU 47 1HB LEU 47 -9.175 -5.253 4.109 363 HB3 LEU 47 2HB LEU 47 -9.049 -6.766 4.991 364 HG LEU 47 HG LEU 47 -6.704 -6.992 4.232 365 HD11 LEU 47 1HD1 LEU 47 -7.142 -4.246 3.074 366 HD12 LEU 47 2HD1 LEU 47 -6.852 -5.730 2.166 367 HD13 LEU 47 3HD1 LEU 47 -5.589 -5.072 3.206 368 HD21 LEU 47 3HD2 LEU 47 -7.322 -4.396 5.628 369 HD22 LEU 47 1HD2 LEU 47 -5.764 -5.225 5.625 370 HD23 LEU 47 2HD2 LEU 47 -7.164 -5.980 6.390 371 H LEU 48 H LEU 48 -9.818 -9.007 4.217 372 HA LEU 48 HA LEU 48 -9.248 -11.194 4.405 373 HB2 LEU 48 1HB LEU 48 -9.302 -11.085 1.862 374 HB3 LEU 48 2HB LEU 48 -7.565 -10.890 1.917 375 HG LEU 48 HG LEU 48 -8.939 -13.289 3.123 376 HD11 LEU 48 1HD1 LEU 48 -9.567 -13.160 0.773 377 HD12 LEU 48 2HD1 LEU 48 -8.425 -14.476 1.047 378 HD13 LEU 48 3HD1 LEU 48 -7.873 -12.966 0.322 379 HD21 LEU 48 3HD2 LEU 48 -6.125 -12.843 2.125 380 HD22 LEU 48 1HD2 LEU 48 -6.756 -14.334 2.826 381 HD23 LEU 48 2HD2 LEU 48 -6.620 -12.881 3.817 382 H LYS 49 H LYS 49 -6.275 -9.815 2.976 383 HA LYS 49 HA LYS 49 -4.882 -9.535 5.399 384 HB2 LYS 49 1HB LYS 49 -5.024 -12.002 5.454 385 HB3 LYS 49 2HB LYS 49 -4.231 -12.074 3.887 386 HG2 LYS 49 1HG LYS 49 -2.226 -11.061 4.854 387 HG3 LYS 49 2HG LYS 49 -3.025 -10.997 6.428 388 HD2 LYS 49 1HD LYS 49 -3.221 -13.427 6.437 389 HD3 LYS 49 2HD LYS 49 -2.460 -13.504 4.847 390 HE2 LYS 49 1HE LYS 49 -0.862 -14.029 6.607 391 HE3 LYS 49 2HE LYS 49 -0.419 -12.540 5.774 392 HZ1 LYS 49 3HZ LYS 49 -0.204 -12.426 8.216 393 HZ2 LYS 49 1HZ LYS 49 -1.879 -12.635 8.358 394 HZ3 LYS 49 2HZ LYS 49 -1.258 -11.257 7.592 395 H TYR 50 H TYR 50 -3.308 -8.143 4.981 396 HA TYR 50 HA TYR 50 -2.431 -7.706 2.258 397 HB2 TYR 50 1HB TYR 50 -1.023 -5.878 3.411 398 HB3 TYR 50 2HB TYR 50 -2.771 -5.683 3.399 399 HD1 TYR 50 HD2 TYR 50 0.094 -6.712 5.521 400 HD2 TYR 50 HD1 TYR 50 -3.984 -5.504 5.417 401 HE1 TYR 50 HE2 TYR 50 0.111 -6.461 7.967 402 HE2 TYR 50 HE1 TYR 50 -3.978 -5.248 7.864 403 HH TYR 50 HH TYR 50 -2.754 -6.022 9.799 404 H ASP 51 H ASP 51 -0.045 -7.446 1.839 405 HA ASP 51 HA ASP 51 1.252 -9.892 2.646 406 HB2 ASP 51 1HB ASP 51 1.437 -9.079 0.328 407 HB3 ASP 51 2HB ASP 51 2.270 -7.637 0.902 408 H SER 52 H SER 52 2.726 -10.155 4.180 409 HA SER 52 HA SER 52 4.152 -9.763 5.896 410 HB2 SER 52 1HB SER 52 4.652 -7.096 4.544 411 HB3 SER 52 2HB SER 52 5.679 -7.858 5.758 412 HG SER 52 HG SER 52 5.104 -8.837 3.142 413 H GLU 53 H GLU 53 4.689 -7.716 7.566 414 HA GLU 53 HA GLU 53 2.027 -6.750 8.352 415 HB2 GLU 53 1HB GLU 53 4.512 -7.126 10.031 416 HB3 GLU 53 2HB GLU 53 3.000 -6.447 10.616 417 HG2 GLU 53 1HG GLU 53 1.892 -8.598 9.959 418 HG3 GLU 53 2HG GLU 53 3.502 -9.248 9.655 419 H ILE 54 H ILE 54 1.712 -4.592 8.824 420 HA ILE 54 HA ILE 54 3.493 -2.884 7.295 421 HB ILE 54 HB ILE 54 0.882 -2.146 8.623 422 HG12 ILE 54 1HG1 ILE 54 1.373 -2.979 5.752 423 HG13 ILE 54 2HG1 ILE 54 0.647 -4.013 6.978 424 HG21 ILE 54 1HG2 ILE 54 2.288 -0.241 8.074 425 HG22 ILE 54 2HG2 ILE 54 0.892 -0.303 6.996 426 HG23 ILE 54 3HG2 ILE 54 2.474 -0.832 6.423 427 HD11 ILE 54 3HD1 ILE 54 -1.030 -3.017 5.522 428 HD12 ILE 54 1HD1 ILE 54 -0.484 -1.405 5.988 429 HD13 ILE 54 2HD1 ILE 54 -1.219 -2.468 7.187 430 H LEU 55 H LEU 55 5.264 -2.393 8.491 431 HA LEU 55 HA LEU 55 5.059 -1.465 11.208 432 HB2 LEU 55 1HB LEU 55 7.363 -1.352 9.255 433 HB3 LEU 55 2HB LEU 55 7.466 -0.944 10.957 434 HG LEU 55 HG LEU 55 6.822 -3.677 9.842 435 HD11 LEU 55 1HD1 LEU 55 9.302 -2.630 11.201 436 HD12 LEU 55 2HD1 LEU 55 9.147 -3.030 9.490 437 HD13 LEU 55 3HD1 LEU 55 9.016 -4.299 10.709 438 HD21 LEU 55 3HD2 LEU 55 7.029 -4.427 12.167 439 HD22 LEU 55 1HD2 LEU 55 5.700 -3.286 11.964 440 HD23 LEU 55 2HD2 LEU 55 7.217 -2.752 12.687 441 H GLY 56 H GLY 56 4.742 0.569 11.869 442 HA2 GLY 56 1HA GLY 56 4.034 2.517 9.846 443 HA3 GLY 56 2HA GLY 56 3.805 2.677 11.578 444 H VAL 57 H VAL 57 6.867 1.940 10.003 445 HA VAL 57 HA VAL 57 7.781 4.677 10.522 446 HB VAL 57 HB VAL 57 10.011 3.703 11.260 447 HG11 VAL 57 1HG1 VAL 57 7.614 3.308 13.044 448 HG12 VAL 57 2HG1 VAL 57 8.511 4.809 12.809 449 HG13 VAL 57 3HG1 VAL 57 9.288 3.430 13.587 450 HG21 VAL 57 3HG2 VAL 57 8.318 1.241 11.693 451 HG22 VAL 57 1HG2 VAL 57 9.970 1.474 12.269 452 HG23 VAL 57 2HG2 VAL 57 9.642 1.402 10.538 453 H PHE 58 H PHE 58 9.061 5.512 8.979 454 HA PHE 58 HA PHE 58 9.534 4.110 6.552 455 HB2 PHE 58 1HB PHE 58 10.633 6.727 7.595 456 HB3 PHE 58 2HB PHE 58 10.962 6.108 5.983 457 HD1 PHE 58 HD1 PHE 58 8.334 7.389 8.219 458 HD2 PHE 58 HD2 PHE 58 9.372 6.301 4.243 459 HE1 PHE 58 HE1 PHE 58 6.292 8.480 7.394 460 HE2 PHE 58 HE2 PHE 58 7.328 7.384 3.409 461 HZ PHE 58 HZ PHE 58 5.785 8.477 4.984 462 H THR 59 H THR 59 10.851 2.389 6.617 463 HA THR 59 HA THR 59 13.228 2.351 8.249 464 HB THR 59 HB THR 59 13.541 0.076 7.218 465 HG1 THR 59 HG1 THR 59 11.074 -0.251 6.264 466 HG21 THR 59 3HG2 THR 59 10.843 0.626 8.462 467 HG22 THR 59 1HG2 THR 59 12.351 0.362 9.338 468 HG23 THR 59 2HG2 THR 59 11.644 -0.945 8.387 469 H GLU 60 H GLU 60 14.986 0.906 6.586 470 HA GLU 60 HA GLU 60 16.155 3.068 5.105 471 HB2 GLU 60 1HB GLU 60 16.988 0.163 5.218 472 HB3 GLU 60 2HB GLU 60 17.962 1.501 4.628 473 HG2 GLU 60 1HG GLU 60 17.934 2.480 6.885 474 HG3 GLU 60 2HG GLU 60 17.030 1.077 7.455 475 H SER 61 H SER 61 14.140 0.373 4.417 476 HA SER 61 HA SER 61 14.676 0.527 1.546 477 HB2 SER 61 1HB SER 61 13.253 -1.543 1.468 478 HB3 SER 61 2HB SER 61 14.705 -1.709 2.455 479 HG SER 61 HG SER 61 12.476 -0.799 3.815 480 HA PRO 62 HA PRO 62 10.840 2.790 0.855 481 HB2 PRO 62 1HB PRO 62 10.603 2.084 -1.798 482 HB3 PRO 62 2HB PRO 62 11.576 3.439 -1.218 483 HG2 PRO 62 1HG PRO 62 12.429 0.680 -1.985 484 HG3 PRO 62 2HG PRO 62 13.233 2.231 -2.292 485 HD2 PRO 62 1HD PRO 62 14.046 0.556 -0.344 486 HD3 PRO 62 2HD PRO 62 14.146 2.320 -0.172 487 H GLN 63 H GLN 63 9.188 1.747 1.838 488 HA GLN 63 HA GLN 63 8.859 -1.092 1.402 489 HB2 GLN 63 1HB GLN 63 7.464 0.801 3.300 490 HB3 GLN 63 2HB GLN 63 7.230 -0.942 3.266 491 HG2 GLN 63 1HG GLN 63 9.560 -1.288 3.845 492 HG3 GLN 63 2HG GLN 63 9.836 0.452 3.829 493 HE21 GLN 63 2HE2 GLN 63 7.229 1.002 5.075 494 HE22 GLN 63 1HE2 GLN 63 7.420 0.587 6.740 495 H THR 64 H THR 64 7.650 -1.785 -0.199 496 HA THR 64 HA THR 64 5.323 -0.310 -1.087 497 HB THR 64 HB THR 64 6.230 -3.070 -1.948 498 HG1 THR 64 HG1 THR 64 7.761 -2.086 -3.014 499 HG21 THR 64 3HG2 THR 64 4.910 -2.603 -3.956 500 HG22 THR 64 1HG2 THR 64 4.444 -1.035 -3.292 501 HG23 THR 64 2HG2 THR 64 3.906 -2.522 -2.510 502 H ILE 65 H ILE 65 3.532 -0.440 0.110 503 HA ILE 65 HA ILE 65 3.093 -2.789 1.777 504 HB ILE 65 HB ILE 65 1.462 -0.245 1.598 505 HG12 ILE 65 1HG1 ILE 65 3.528 -1.106 3.638 506 HG13 ILE 65 2HG1 ILE 65 3.759 0.144 2.419 507 HG21 ILE 65 1HG2 ILE 65 0.468 -0.998 3.705 508 HG22 ILE 65 2HG2 ILE 65 1.409 -2.487 3.616 509 HG23 ILE 65 3HG2 ILE 65 0.174 -2.151 2.403 510 HD11 ILE 65 3HD1 ILE 65 1.781 0.213 4.684 511 HD12 ILE 65 1HD1 ILE 65 1.972 1.460 3.451 512 HD13 ILE 65 2HD1 ILE 65 3.288 1.122 4.576 513 H ASN 66 H ASN 66 2.380 -4.411 0.597 514 HA ASN 66 HA ASN 66 0.568 -4.034 -1.602 515 HB2 ASN 66 1HB ASN 66 1.708 -6.543 -0.352 516 HB3 ASN 66 2HB ASN 66 0.699 -6.522 -1.795 517 HD21 ASN 66 2HD2 ASN 66 3.489 -7.386 -1.380 518 HD22 ASN 66 1HD2 ASN 66 4.430 -6.488 -2.521 519 H ILE 67 H ILE 67 -1.234 -3.154 -0.604 520 HA ILE 67 HA ILE 67 -2.697 -4.724 1.354 521 HB ILE 67 HB ILE 67 -3.372 -2.117 -0.028 522 HG12 ILE 67 1HG1 ILE 67 -2.494 -2.723 2.804 523 HG13 ILE 67 2HG1 ILE 67 -1.505 -1.968 1.559 524 HG21 ILE 67 1HG2 ILE 67 -5.408 -3.329 0.540 525 HG22 ILE 67 2HG2 ILE 67 -5.208 -1.917 1.578 526 HG23 ILE 67 3HG2 ILE 67 -4.840 -3.527 2.198 527 HD11 ILE 67 3HD1 ILE 67 -4.006 -0.818 2.775 528 HD12 ILE 67 1HD1 ILE 67 -3.035 -0.061 1.511 529 HD13 ILE 67 2HD1 ILE 67 -2.349 -0.317 3.115 530 H ILE 68 H ILE 68 -3.764 -6.439 0.614 531 HA ILE 68 HA ILE 68 -4.609 -6.463 -2.191 532 HB ILE 68 HB ILE 68 -4.419 -8.734 -0.193 533 HG12 ILE 68 1HG1 ILE 68 -2.648 -8.048 -2.550 534 HG13 ILE 68 2HG1 ILE 68 -2.239 -7.751 -0.864 535 HG21 ILE 68 1HG2 ILE 68 -4.984 -8.794 -3.157 536 HG22 ILE 68 2HG2 ILE 68 -6.124 -9.179 -1.869 537 HG23 ILE 68 3HG2 ILE 68 -4.717 -10.207 -2.136 538 HD11 ILE 68 3HD1 ILE 68 -1.138 -9.740 -1.693 539 HD12 ILE 68 1HD1 ILE 68 -2.697 -10.443 -2.127 540 HD13 ILE 68 2HD1 ILE 68 -2.301 -10.154 -0.432 541 H TYR 69 H TYR 69 -6.724 -6.712 -2.796 542 HA TYR 69 HA TYR 69 -8.696 -6.847 -0.621 543 HB2 TYR 69 1HB TYR 69 -8.685 -5.153 -3.100 544 HB3 TYR 69 2HB TYR 69 -10.200 -5.583 -2.311 545 HD1 TYR 69 HD2 TYR 69 -10.024 -5.249 0.390 546 HD2 TYR 69 HD1 TYR 69 -7.846 -3.075 -2.547 547 HE1 TYR 69 HE2 TYR 69 -9.743 -3.396 1.980 548 HE2 TYR 69 HE1 TYR 69 -7.561 -1.217 -0.963 549 HH TYR 69 HH TYR 69 -8.782 -0.334 1.095 550 H GLN 70 H GLN 70 -10.086 -8.403 -0.682 551 HA GLN 70 HA GLN 70 -10.148 -10.225 -2.952 552 HB2 GLN 70 1HB GLN 70 -9.899 -11.100 -0.637 553 HB3 GLN 70 2HB GLN 70 -11.471 -10.423 -0.235 554 HG2 GLN 70 1HG GLN 70 -12.489 -11.877 -1.954 555 HG3 GLN 70 2HG GLN 70 -10.907 -12.606 -2.227 556 HE21 GLN 70 2HE2 GLN 70 -11.517 -14.632 -1.598 557 HE22 GLN 70 1HE2 GLN 70 -11.898 -15.041 0.041 558 H LYS 71 H LYS 71 -11.909 -10.528 -4.220 559 HA LYS 71 HA LYS 71 -13.760 -8.412 -4.475 560 HB2 LYS 71 1HB LYS 71 -13.894 -11.195 -5.650 561 HB3 LYS 71 2HB LYS 71 -14.803 -9.797 -6.204 562 HG2 LYS 71 1HG LYS 71 -12.773 -8.705 -6.918 563 HG3 LYS 71 2HG LYS 71 -11.800 -10.021 -6.255 564 HD2 LYS 71 1HD LYS 71 -12.834 -11.582 -7.822 565 HD3 LYS 71 2HD LYS 71 -13.829 -10.281 -8.472 566 HE2 LYS 71 1HE LYS 71 -11.926 -10.727 -9.920 567 HE3 LYS 71 2HE LYS 71 -11.820 -9.114 -9.221 568 HZ1 LYS 71 3HZ LYS 71 -10.092 -9.729 -7.842 569 HZ2 LYS 71 1HZ LYS 71 -9.736 -10.575 -9.259 570 HZ3 LYS 71 2HZ LYS 71 -10.432 -11.390 -7.947 571 H LYS 72 H LYS 72 -15.342 -8.028 -3.013 572 HA LYS 72 HA LYS 72 -16.674 -10.096 -1.564 573 HB2 LYS 72 1HB LYS 72 -17.310 -7.181 -2.003 574 HB3 LYS 72 2HB LYS 72 -18.371 -8.240 -1.087 575 HG2 LYS 72 1HG LYS 72 -16.601 -8.672 0.514 576 HG3 LYS 72 2HG LYS 72 -15.489 -7.674 -0.425 577 HD2 LYS 72 1HD LYS 72 -16.866 -5.727 -0.039 578 HD3 LYS 72 2HD LYS 72 -18.051 -6.700 0.825 579 HE2 LYS 72 1HE LYS 72 -15.190 -6.275 1.674 580 HE3 LYS 72 2HE LYS 72 -16.578 -5.402 2.322 581 HZ1 LYS 72 3HZ LYS 72 -16.095 -8.324 2.520 582 HZ2 LYS 72 1HZ LYS 72 -17.476 -7.525 3.099 583 HZ3 LYS 72 2HZ LYS 72 -15.954 -7.197 3.777 584 H ALA 73 H ALA 73 -17.046 -8.637 -4.651 585 HA ALA 73 HA ALA 73 -19.647 -9.734 -5.186 586 HB1 ALA 73 3HB ALA 73 -18.847 -7.745 -6.385 587 HB2 ALA 73 1HB ALA 73 -19.220 -9.060 -7.500 588 HB3 ALA 73 2HB ALA 73 -17.543 -8.697 -7.093 589 HA PRO 74 HA PRO 74 -17.811 -13.787 -5.507 590 HB2 PRO 74 1HB PRO 74 -20.519 -14.688 -6.161 591 HB3 PRO 74 2HB PRO 74 -19.520 -15.077 -4.758 592 HG2 PRO 74 1HG PRO 74 -21.716 -13.517 -4.580 593 HG3 PRO 74 2HG PRO 74 -20.297 -13.284 -3.542 594 HD2 PRO 74 1HD PRO 74 -21.128 -11.768 -5.987 595 HD3 PRO 74 2HD PRO 74 -20.452 -11.160 -4.459 596 H GLU 75 H GLU 75 -17.326 -15.278 -7.107 597 HA GLU 75 HA GLU 75 -17.286 -14.471 -9.776 598 HB2 GLU 75 1HB GLU 75 -15.810 -16.198 -8.761 599 HB3 GLU 75 2HB GLU 75 -17.176 -17.302 -8.710 600 HG2 GLU 75 1HG GLU 75 -15.854 -17.878 -10.590 601 HG3 GLU 75 2HG GLU 75 -17.325 -17.115 -11.192 602 H GLN 76 H GLN 76 -19.743 -16.030 -7.925 603 HA GLN 76 HA GLN 76 -21.334 -17.227 -9.862 604 HB2 GLN 76 1HB GLN 76 -22.395 -15.631 -7.527 605 HB3 GLN 76 2HB GLN 76 -23.162 -16.995 -8.325 606 HG2 GLN 76 1HG GLN 76 -20.637 -17.107 -6.692 607 HG3 GLN 76 2HG GLN 76 -22.238 -17.602 -6.152 608 HE21 GLN 76 2HE2 GLN 76 -19.734 -19.106 -6.406 609 HE22 GLN 76 1HE2 GLN 76 -20.111 -20.464 -7.415 610 H ALA 77 H ALA 77 -21.021 -13.841 -8.955 611 HA ALA 77 HA ALA 77 -23.033 -13.082 -10.956 612 HB1 ALA 77 3HB ALA 77 -23.012 -10.884 -9.881 613 HB2 ALA 77 1HB ALA 77 -21.749 -11.433 -8.779 614 HB3 ALA 77 2HB ALA 77 -23.353 -12.165 -8.717 615 H LEU 78 H LEU 78 -19.646 -12.959 -10.232 616 HA LEU 78 HA LEU 78 -18.912 -10.921 -12.059 617 HB2 LEU 78 1HB LEU 78 -17.454 -11.640 -10.234 618 HB3 LEU 78 2HB LEU 78 -17.308 -13.230 -10.955 619 HG LEU 78 HG LEU 78 -16.109 -12.277 -12.864 620 HD11 LEU 78 1HD1 LEU 78 -16.352 -9.656 -11.394 621 HD12 LEU 78 2HD1 LEU 78 -17.174 -10.077 -12.895 622 HD13 LEU 78 3HD1 LEU 78 -15.416 -9.941 -12.861 623 HD21 LEU 78 3HD2 LEU 78 -14.063 -11.626 -11.678 624 HD22 LEU 78 1HD2 LEU 78 -14.829 -13.034 -10.943 625 HD23 LEU 78 2HD2 LEU 78 -14.991 -11.448 -10.189 626 H GLU 79 H GLU 79 -19.275 -14.414 -12.317 627 HA GLU 79 HA GLU 79 -18.384 -14.600 -15.012 628 HB2 GLU 79 1HB GLU 79 -18.527 -16.508 -13.373 629 HB3 GLU 79 2HB GLU 79 -20.274 -16.454 -13.547 630 HG2 GLU 79 1HG GLU 79 -20.156 -17.118 -15.815 631 HG3 GLU 79 2HG GLU 79 -18.409 -16.882 -15.861 632 H HIS 80 H HIS 80 -19.355 -13.550 -16.598 633 HA HIS 80 HA HIS 80 -21.903 -12.381 -16.369 634 HB2 HIS 80 1HB HIS 80 -20.139 -12.791 -18.789 635 HB3 HIS 80 2HB HIS 80 -21.607 -11.817 -18.794 636 HD1 HIS 80 HD1 HIS 80 -18.063 -11.493 -18.365 637 HD2 HIS 80 HD2 HIS 80 -21.408 -9.681 -16.681 638 HE1 HIS 80 HE1 HIS 80 -17.236 -9.352 -17.343 639 HE2 HIS 80 HE2 HIS 80 -19.224 -8.418 -16.110 640 H HIS 81 H HIS 81 -20.810 -15.165 -18.304 641 HA HIS 81 HA HIS 81 -23.623 -16.036 -18.357 642 HB2 HIS 81 1HB HIS 81 -21.324 -16.692 -20.197 643 HB3 HIS 81 2HB HIS 81 -22.775 -17.687 -20.130 644 HD1 HIS 81 HD1 HIS 81 -21.408 -15.121 -22.085 645 HD2 HIS 81 HD2 HIS 81 -25.180 -15.793 -20.467 646 HE1 HIS 81 HE1 HIS 81 -22.995 -13.712 -23.446 647 HE2 HIS 81 HE2 HIS 81 -25.244 -14.010 -22.339 648 H HIS 82 H HIS 82 -23.863 -17.079 -16.495 649 HA HIS 82 HA HIS 82 -21.740 -18.527 -15.262 650 HB2 HIS 82 1HB HIS 82 -23.762 -17.297 -14.180 651 HB3 HIS 82 2HB HIS 82 -24.632 -18.795 -14.488 652 HD1 HIS 82 HD1 HIS 82 -21.101 -19.306 -13.597 653 HD2 HIS 82 HD2 HIS 82 -24.743 -18.964 -11.605 654 HE1 HIS 82 HE1 HIS 82 -20.690 -20.158 -11.265 655 HE2 HIS 82 HE2 HIS 82 -22.862 -19.811 -10.041 656 H HIS 83 H HIS 83 -21.139 -20.523 -15.622 657 HA HIS 83 HA HIS 83 -22.271 -22.152 -17.607 658 HB2 HIS 83 1HB HIS 83 -20.448 -22.962 -15.331 659 HB3 HIS 83 2HB HIS 83 -20.766 -23.920 -16.772 660 HD1 HIS 83 HD1 HIS 83 -18.848 -20.955 -15.553 661 HD2 HIS 83 HD2 HIS 83 -19.455 -23.041 -19.101 662 HE1 HIS 83 HE1 HIS 83 -17.055 -20.161 -17.121 663 HE2 HIS 83 HE2 HIS 83 -17.559 -21.286 -19.315 664 H HIS 84 H HIS 84 -22.389 -22.486 -14.064 665 HA HIS 84 HA HIS 84 -24.631 -24.338 -14.302 666 HB2 HIS 84 1HB HIS 84 -23.071 -23.283 -11.944 667 HB3 HIS 84 2HB HIS 84 -24.549 -24.216 -11.744 668 HD1 HIS 84 HD1 HIS 84 -21.145 -24.737 -11.479 669 HD2 HIS 84 HD2 HIS 84 -24.139 -26.753 -13.544 670 HE1 HIS 84 HE1 HIS 84 -20.269 -27.065 -11.841 671 HE2 HIS 84 HE2 HIS 84 -22.167 -28.314 -12.934 672 H HIS 85 H HIS 85 -26.278 -23.090 -15.138 673 HA HIS 85 HA HIS 85 -27.699 -21.442 -13.298 674 HB2 HIS 85 1HB HIS 85 -25.937 -19.859 -14.152 675 HB3 HIS 85 2HB HIS 85 -26.623 -20.051 -15.761 676 HD1 HIS 85 HD1 HIS 85 -27.686 -18.880 -12.306 677 HD2 HIS 85 HD2 HIS 85 -28.632 -18.302 -16.319 678 HE1 HIS 85 HE1 HIS 85 -29.384 -17.021 -12.345 679 HE2 HIS 85 HE2 HIS 85 -30.004 -16.741 -14.773 Start of MODEL 7 1 H1 MET 1 1H MET 1 27.393 8.770 10.289 2 H2 MET 1 2H MET 1 27.023 10.247 9.543 3 H3 MET 1 3H MET 1 27.259 8.858 8.599 4 HA MET 1 HA MET 1 25.314 7.837 9.538 5 HB2 MET 1 1HB MET 1 25.072 10.464 11.022 6 HB3 MET 1 2HB MET 1 23.797 9.258 10.927 7 HG2 MET 1 1HG MET 1 25.206 7.646 12.072 8 HG3 MET 1 2HG MET 1 26.519 8.819 12.135 9 HE1 MET 1 3HE MET 1 26.487 11.007 13.607 10 HE2 MET 1 1HE MET 1 25.095 11.534 14.553 11 HE3 MET 1 2HE MET 1 25.011 11.521 12.790 12 H ASP 2 H ASP 2 23.132 8.331 8.749 13 HA ASP 2 HA ASP 2 23.104 10.481 6.732 14 HB2 ASP 2 1HB ASP 2 23.461 8.358 5.577 15 HB3 ASP 2 2HB ASP 2 22.081 7.647 6.408 16 H PHE 3 H PHE 3 21.450 11.833 7.013 17 HA PHE 3 HA PHE 3 18.910 10.949 8.034 18 HB2 PHE 3 1HB PHE 3 18.982 12.483 10.024 19 HB3 PHE 3 2HB PHE 3 20.026 11.073 10.150 20 HD1 PHE 3 HD2 PHE 3 19.943 14.719 9.662 21 HD2 PHE 3 HD1 PHE 3 22.400 11.293 10.262 22 HE1 PHE 3 HE2 PHE 3 21.854 16.182 10.163 23 HE2 PHE 3 HE1 PHE 3 24.315 12.754 10.766 24 HZ PHE 3 HZ PHE 3 24.043 15.202 10.718 25 H GLY 4 H GLY 4 17.395 12.830 8.349 26 HA2 GLY 4 1HA GLY 4 16.540 14.898 7.717 27 HA3 GLY 4 2HA GLY 4 18.109 15.311 7.035 28 H LYS 5 H LYS 5 16.248 12.438 6.316 29 HA LYS 5 HA LYS 5 15.811 13.434 3.588 30 HB2 LYS 5 1HB LYS 5 17.049 10.829 4.451 31 HB3 LYS 5 2HB LYS 5 16.331 11.034 2.860 32 HG2 LYS 5 1HG LYS 5 17.943 12.598 2.208 33 HG3 LYS 5 2HG LYS 5 18.460 12.887 3.872 34 HD2 LYS 5 1HD LYS 5 20.043 11.507 2.518 35 HD3 LYS 5 2HD LYS 5 19.487 10.737 4.004 36 HE2 LYS 5 1HE LYS 5 17.780 9.524 2.648 37 HE3 LYS 5 2HE LYS 5 18.529 10.195 1.199 38 HZ1 LYS 5 3HZ LYS 5 20.474 8.986 1.555 39 HZ2 LYS 5 1HZ LYS 5 19.242 7.887 1.932 40 HZ3 LYS 5 2HZ LYS 5 20.099 8.656 3.179 41 HA PRO 6 HA PRO 6 11.845 11.542 4.389 42 HB2 PRO 6 1HB PRO 6 10.542 12.731 2.352 43 HB3 PRO 6 2HB PRO 6 10.979 13.600 3.824 44 HG2 PRO 6 1HG PRO 6 12.136 13.790 1.121 45 HG3 PRO 6 2HG PRO 6 12.149 14.974 2.436 46 HD2 PRO 6 1HD PRO 6 14.240 13.173 1.656 47 HD3 PRO 6 2HD PRO 6 14.248 14.345 2.986 48 H ASN 7 H ASN 7 11.944 9.405 3.906 49 HA ASN 7 HA ASN 7 12.424 8.547 1.163 50 HB2 ASN 7 1HB ASN 7 12.095 6.969 3.725 51 HB3 ASN 7 2HB ASN 7 12.348 6.236 2.143 52 HD21 ASN 7 2HD2 ASN 7 14.007 6.025 4.482 53 HD22 ASN 7 1HD2 ASN 7 15.557 6.670 4.060 54 H GLN 8 H GLN 8 10.937 6.469 0.624 55 HA GLN 8 HA GLN 8 8.172 7.403 0.972 56 HB2 GLN 8 1HB GLN 8 9.345 6.550 -1.678 57 HB3 GLN 8 2HB GLN 8 7.741 7.210 -1.389 58 HG2 GLN 8 1HG GLN 8 8.672 9.355 -0.830 59 HG3 GLN 8 2HG GLN 8 10.309 8.709 -0.940 60 HE21 GLN 8 2HE2 GLN 8 9.152 10.921 -2.392 61 HE22 GLN 8 1HE2 GLN 8 9.274 10.510 -4.076 62 H VAL 9 H VAL 9 6.646 5.840 1.106 63 HA VAL 9 HA VAL 9 7.456 3.082 0.458 64 HB VAL 9 HB VAL 9 5.746 2.302 2.105 65 HG11 VAL 9 1HG1 VAL 9 7.112 2.673 4.084 66 HG12 VAL 9 2HG1 VAL 9 7.954 3.987 3.264 67 HG13 VAL 9 3HG1 VAL 9 8.114 2.333 2.674 68 HG21 VAL 9 3HG2 VAL 9 4.371 4.293 2.243 69 HG22 VAL 9 1HG2 VAL 9 5.710 5.188 2.960 70 HG23 VAL 9 2HG2 VAL 9 4.974 3.849 3.839 71 H THR 10 H THR 10 6.252 2.068 -1.043 72 HA THR 10 HA THR 10 4.174 3.666 -2.291 73 HB THR 10 HB THR 10 4.297 1.824 -4.066 74 HG1 THR 10 HG1 THR 10 5.912 0.375 -3.925 75 HG21 THR 10 3HG2 THR 10 5.319 4.005 -4.382 76 HG22 THR 10 1HG2 THR 10 6.385 2.749 -5.011 77 HG23 THR 10 2HG2 THR 10 6.733 3.503 -3.455 78 H VAL 11 H VAL 11 2.168 3.421 -1.729 79 HA VAL 11 HA VAL 11 1.255 0.953 -0.476 80 HB VAL 11 HB VAL 11 -0.165 3.597 -0.872 81 HG11 VAL 11 1HG1 VAL 11 -1.816 2.731 0.713 82 HG12 VAL 11 2HG1 VAL 11 -0.973 1.183 0.746 83 HG13 VAL 11 3HG1 VAL 11 -1.737 1.738 -0.743 84 HG21 VAL 11 3HG2 VAL 11 1.730 3.769 0.648 85 HG22 VAL 11 1HG2 VAL 11 1.124 2.400 1.579 86 HG23 VAL 11 2HG2 VAL 11 0.209 3.907 1.530 87 H ASN 12 H ASN 12 0.601 -0.588 -1.777 88 HA ASN 12 HA ASN 12 -0.667 0.111 -4.341 89 HB2 ASN 12 1HB ASN 12 0.669 -2.427 -3.382 90 HB3 ASN 12 2HB ASN 12 -0.237 -2.330 -4.886 91 HD21 ASN 12 2HD2 ASN 12 0.626 0.316 -5.583 92 HD22 ASN 12 1HD2 ASN 12 2.296 0.197 -6.033 93 H TYR 13 H TYR 13 -2.807 -0.077 -4.489 94 HA TYR 13 HA TYR 13 -4.258 -1.733 -2.569 95 HB2 TYR 13 1HB TYR 13 -5.303 0.098 -4.746 96 HB3 TYR 13 2HB TYR 13 -6.286 -0.728 -3.544 97 HD1 TYR 13 HD1 TYR 13 -3.905 2.006 -4.120 98 HD2 TYR 13 HD2 TYR 13 -6.395 0.071 -1.264 99 HE1 TYR 13 HE1 TYR 13 -3.655 3.928 -2.610 100 HE2 TYR 13 HE2 TYR 13 -6.154 1.991 0.255 101 HH TYR 13 HH TYR 13 -4.675 3.838 0.674 102 H LEU 14 H LEU 14 -4.224 -3.851 -3.107 103 HA LEU 14 HA LEU 14 -4.242 -4.492 -5.978 104 HB2 LEU 14 1HB LEU 14 -3.177 -6.145 -3.697 105 HB3 LEU 14 2HB LEU 14 -3.071 -6.539 -5.401 106 HG LEU 14 HG LEU 14 -1.683 -4.271 -3.986 107 HD11 LEU 14 1HD1 LEU 14 -0.612 -6.724 -5.369 108 HD12 LEU 14 2HD1 LEU 14 -0.711 -6.488 -3.625 109 HD13 LEU 14 3HD1 LEU 14 0.345 -5.461 -4.594 110 HD21 LEU 14 3HD2 LEU 14 -2.391 -3.568 -6.211 111 HD22 LEU 14 1HD2 LEU 14 -1.648 -5.005 -6.910 112 HD23 LEU 14 2HD2 LEU 14 -0.642 -3.778 -6.141 113 H ASP 15 H ASP 15 -5.416 -6.144 -6.770 114 HA ASP 15 HA ASP 15 -7.762 -7.054 -5.387 115 HB2 ASP 15 1HB ASP 15 -7.711 -6.678 -7.838 116 HB3 ASP 15 2HB ASP 15 -6.488 -7.927 -8.007 117 H GLU 16 H GLU 16 -8.035 -9.648 -5.665 118 HA GLU 16 HA GLU 16 -6.147 -10.842 -3.889 119 HB2 GLU 16 1HB GLU 16 -8.536 -11.433 -3.822 120 HB3 GLU 16 2HB GLU 16 -8.421 -12.090 -5.449 121 HG2 GLU 16 1HG GLU 16 -6.864 -13.797 -4.650 122 HG3 GLU 16 2HG GLU 16 -6.982 -13.136 -3.020 123 H ASN 17 H ASN 17 -6.691 -10.756 -7.325 124 HA ASN 17 HA ASN 17 -4.557 -12.633 -7.906 125 HB2 ASN 17 1HB ASN 17 -6.252 -10.791 -9.586 126 HB3 ASN 17 2HB ASN 17 -4.854 -11.615 -10.267 127 HD21 ASN 17 2HD2 ASN 17 -7.778 -11.841 -10.780 128 HD22 ASN 17 1HD2 ASN 17 -8.130 -13.525 -10.603 129 H ASN 18 H ASN 18 -4.603 -9.820 -6.493 130 HA ASN 18 HA ASN 18 -3.059 -8.349 -5.871 131 HB2 ASN 18 1HB ASN 18 -1.222 -10.151 -7.460 132 HB3 ASN 18 2HB ASN 18 -0.643 -8.756 -6.557 133 HD21 ASN 18 2HD2 ASN 18 -0.576 -8.846 -4.324 134 HD22 ASN 18 1HD2 ASN 18 -0.803 -10.318 -3.444 135 H THR 19 H THR 19 -4.443 -8.228 -8.625 136 HA THR 19 HA THR 19 -2.750 -6.510 -10.174 137 HB THR 19 HB THR 19 -5.760 -6.758 -10.354 138 HG1 THR 19 HG1 THR 19 -4.071 -8.260 -12.025 139 HG21 THR 19 3HG2 THR 19 -3.688 -6.097 -12.449 140 HG22 THR 19 1HG2 THR 19 -4.723 -4.922 -11.636 141 HG23 THR 19 2HG2 THR 19 -5.436 -6.150 -12.681 142 H SER 20 H SER 20 -2.688 -4.277 -10.191 143 HA SER 20 HA SER 20 -3.580 -2.890 -7.874 144 HB2 SER 20 1HB SER 20 -2.566 -1.793 -10.508 145 HB3 SER 20 2HB SER 20 -2.721 -0.878 -9.008 146 HG SER 20 HG SER 20 -1.239 -3.253 -8.965 147 H ILE 21 H ILE 21 -5.679 -2.527 -7.497 148 HA ILE 21 HA ILE 21 -7.509 -2.184 -9.734 149 HB ILE 21 HB ILE 21 -9.300 -2.223 -8.027 150 HG12 ILE 21 1HG1 ILE 21 -7.042 -2.737 -6.071 151 HG13 ILE 21 2HG1 ILE 21 -7.979 -1.249 -6.161 152 HG21 ILE 21 1HG2 ILE 21 -7.337 -4.508 -7.857 153 HG22 ILE 21 2HG2 ILE 21 -8.565 -4.281 -9.103 154 HG23 ILE 21 3HG2 ILE 21 -9.048 -4.585 -7.435 155 HD11 ILE 21 3HD1 ILE 21 -9.994 -2.496 -5.571 156 HD12 ILE 21 1HD1 ILE 21 -8.737 -2.655 -4.344 157 HD13 ILE 21 2HD1 ILE 21 -9.042 -3.976 -5.472 158 H ALA 22 H ALA 22 -5.780 -0.241 -7.554 159 HA ALA 22 HA ALA 22 -7.295 2.108 -8.441 160 HB1 ALA 22 3HB ALA 22 -8.005 1.526 -6.143 161 HB2 ALA 22 1HB ALA 22 -7.215 3.100 -6.246 162 HB3 ALA 22 2HB ALA 22 -6.334 1.712 -5.610 163 HA PRO 23 HA PRO 23 -3.325 3.942 -9.313 164 HB2 PRO 23 1HB PRO 23 -4.377 6.387 -7.993 165 HB3 PRO 23 2HB PRO 23 -3.708 6.184 -9.616 166 HG2 PRO 23 1HG PRO 23 -6.327 6.501 -9.255 167 HG3 PRO 23 2HG PRO 23 -5.702 5.383 -10.482 168 HD2 PRO 23 1HD PRO 23 -6.843 4.790 -7.780 169 HD3 PRO 23 2HD PRO 23 -7.049 3.910 -9.310 170 H SER 24 H SER 24 -1.764 3.156 -8.052 171 HA SER 24 HA SER 24 -1.822 3.204 -5.220 172 HB2 SER 24 1HB SER 24 0.485 2.665 -7.101 173 HB3 SER 24 2HB SER 24 0.437 2.260 -5.385 174 HG SER 24 HG SER 24 -1.126 1.183 -7.492 175 H LEU 25 H LEU 25 -0.440 4.307 -3.775 176 HA LEU 25 HA LEU 25 0.698 6.790 -4.859 177 HB2 LEU 25 1HB LEU 25 -0.108 7.947 -2.785 178 HB3 LEU 25 2HB LEU 25 -1.362 7.480 -3.915 179 HG LEU 25 HG LEU 25 -1.625 5.392 -2.379 180 HD11 LEU 25 1HD1 LEU 25 -0.308 7.324 -0.476 181 HD12 LEU 25 2HD1 LEU 25 0.355 5.779 -1.009 182 HD13 LEU 25 3HD1 LEU 25 -1.113 5.819 -0.032 183 HD21 LEU 25 3HD2 LEU 25 -3.310 7.127 -2.695 184 HD22 LEU 25 1HD2 LEU 25 -2.508 8.134 -1.491 185 HD23 LEU 25 2HD2 LEU 25 -3.243 6.603 -1.012 186 H TYR 26 H TYR 26 2.251 7.820 -3.331 187 HA TYR 26 HA TYR 26 3.686 5.746 -1.821 188 HB2 TYR 26 1HB TYR 26 5.793 6.984 -2.434 189 HB3 TYR 26 2HB TYR 26 4.980 6.206 -3.786 190 HD1 TYR 26 HD2 TYR 26 3.588 7.635 -5.345 191 HD2 TYR 26 HD1 TYR 26 6.220 9.311 -2.449 192 HE1 TYR 26 HE2 TYR 26 3.560 9.767 -6.563 193 HE2 TYR 26 HE1 TYR 26 6.197 11.450 -3.660 194 HH TYR 26 HH TYR 26 3.939 12.144 -6.107 195 H LEU 27 H LEU 27 3.559 6.139 0.272 196 HA LEU 27 HA LEU 27 2.969 8.747 1.303 197 HB2 LEU 27 1HB LEU 27 3.816 6.223 2.732 198 HB3 LEU 27 2HB LEU 27 3.275 7.691 3.525 199 HG LEU 27 HG LEU 27 1.592 6.009 1.673 200 HD11 LEU 27 1HD1 LEU 27 2.077 4.836 3.751 201 HD12 LEU 27 2HD1 LEU 27 0.391 5.359 3.711 202 HD13 LEU 27 3HD1 LEU 27 1.568 6.248 4.679 203 HD21 LEU 27 3HD2 LEU 27 0.854 8.342 3.431 204 HD22 LEU 27 1HD2 LEU 27 -0.256 7.388 2.447 205 HD23 LEU 27 2HD2 LEU 27 0.980 8.380 1.672 206 H SER 28 H SER 28 4.320 10.229 2.106 207 HA SER 28 HA SER 28 7.189 9.626 1.911 208 HB2 SER 28 1HB SER 28 5.809 12.322 1.874 209 HB3 SER 28 2HB SER 28 7.531 12.028 1.625 210 HG SER 28 HG SER 28 5.728 10.650 -0.005 211 H GLY 29 H GLY 29 8.322 9.489 3.710 212 HA2 GLY 29 1HA GLY 29 7.479 11.004 6.069 213 HA3 GLY 29 2HA GLY 29 7.596 9.253 6.215 214 H LEU 30 H LEU 30 9.117 10.822 7.829 215 HA LEU 30 HA LEU 30 11.711 11.225 6.618 216 HB2 LEU 30 1HB LEU 30 10.813 11.431 9.494 217 HB3 LEU 30 2HB LEU 30 12.387 11.916 8.891 218 HG LEU 30 HG LEU 30 9.756 13.153 8.068 219 HD11 LEU 30 1HD1 LEU 30 10.354 13.676 10.379 220 HD12 LEU 30 2HD1 LEU 30 10.506 15.092 9.337 221 HD13 LEU 30 3HD1 LEU 30 11.947 14.212 9.846 222 HD21 LEU 30 3HD2 LEU 30 11.150 14.822 6.960 223 HD22 LEU 30 1HD2 LEU 30 11.438 13.213 6.296 224 HD23 LEU 30 2HD2 LEU 30 12.598 13.925 7.418 225 H PHE 31 H PHE 31 13.652 10.181 7.402 226 HA PHE 31 HA PHE 31 13.492 7.394 7.417 227 HB2 PHE 31 1HB PHE 31 15.505 8.716 6.779 228 HB3 PHE 31 2HB PHE 31 15.753 9.107 8.476 229 HD1 PHE 31 HD1 PHE 31 15.530 6.246 6.119 230 HD2 PHE 31 HD2 PHE 31 17.016 7.704 9.834 231 HE1 PHE 31 HE1 PHE 31 16.867 4.200 6.381 232 HE2 PHE 31 HE2 PHE 31 18.355 5.655 10.103 233 HZ PHE 31 HZ PHE 31 18.282 3.901 8.374 234 H ASN 32 H ASN 32 13.092 5.943 8.958 235 HA ASN 32 HA ASN 32 12.795 4.941 10.976 236 HB2 ASN 32 1HB ASN 32 15.100 6.118 11.373 237 HB3 ASN 32 2HB ASN 32 14.168 7.206 12.395 238 HD21 ASN 32 2HD2 ASN 32 16.279 5.422 13.155 239 HD22 ASN 32 1HD2 ASN 32 15.609 4.303 14.306 240 H GLU 33 H GLU 33 11.005 7.056 9.878 241 HA GLU 33 HA GLU 33 9.629 7.855 12.355 242 HB2 GLU 33 1HB GLU 33 10.032 9.731 10.923 243 HB3 GLU 33 2HB GLU 33 9.448 8.862 9.514 244 HG2 GLU 33 1HG GLU 33 7.194 8.947 10.326 245 HG3 GLU 33 2HG GLU 33 7.730 9.647 11.853 246 H ALA 34 H ALA 34 7.544 7.169 12.770 247 HA ALA 34 HA ALA 34 6.715 4.752 11.446 248 HB1 ALA 34 3HB ALA 34 6.443 5.023 13.862 249 HB2 ALA 34 1HB ALA 34 4.891 4.737 13.076 250 HB3 ALA 34 2HB ALA 34 5.331 6.365 13.592 251 H TYR 35 H TYR 35 4.635 4.436 10.436 252 HA TYR 35 HA TYR 35 3.522 6.891 9.263 253 HB2 TYR 35 1HB TYR 35 3.436 5.827 7.061 254 HB3 TYR 35 2HB TYR 35 5.092 5.899 7.651 255 HD1 TYR 35 HD2 TYR 35 6.197 3.818 8.472 256 HD2 TYR 35 HD1 TYR 35 2.374 3.744 6.603 257 HE1 TYR 35 HE2 TYR 35 6.437 1.403 8.086 258 HE2 TYR 35 HE1 TYR 35 2.607 1.329 6.213 259 HH TYR 35 HH TYR 35 4.876 -0.573 7.742 260 H ASN 36 H ASN 36 1.379 6.699 8.438 261 HA ASN 36 HA ASN 36 -0.112 4.350 9.417 262 HB2 ASN 36 1HB ASN 36 -1.070 7.229 9.397 263 HB3 ASN 36 2HB ASN 36 -2.042 5.836 9.847 264 HD21 ASN 36 2HD2 ASN 36 0.276 4.585 11.246 265 HD22 ASN 36 1HD2 ASN 36 0.421 5.460 12.731 266 H VAL 37 H VAL 37 -0.933 3.261 7.742 267 HA VAL 37 HA VAL 37 -0.940 4.489 5.129 268 HB VAL 37 HB VAL 37 -0.100 2.181 5.460 269 HG11 VAL 37 1HG1 VAL 37 -2.992 1.531 5.993 270 HG12 VAL 37 2HG1 VAL 37 -1.649 1.395 7.128 271 HG13 VAL 37 3HG1 VAL 37 -1.718 0.345 5.712 272 HG21 VAL 37 3HG2 VAL 37 -2.461 2.414 3.600 273 HG22 VAL 37 1HG2 VAL 37 -1.192 1.192 3.499 274 HG23 VAL 37 2HG2 VAL 37 -0.800 2.894 3.250 275 HA PRO 38 HA PRO 38 -5.354 5.300 5.180 276 HB2 PRO 38 1HB PRO 38 -5.131 6.047 2.397 277 HB3 PRO 38 2HB PRO 38 -5.389 7.090 3.795 278 HG2 PRO 38 1HG PRO 38 -3.094 7.092 2.307 279 HG3 PRO 38 2HG PRO 38 -3.160 7.562 4.016 280 HD2 PRO 38 1HD PRO 38 -2.289 4.973 2.791 281 HD3 PRO 38 2HD PRO 38 -1.585 5.870 4.154 282 H MET 39 H MET 39 -6.556 3.488 5.142 283 HA MET 39 HA MET 39 -6.555 1.872 2.680 284 HB2 MET 39 1HB MET 39 -5.766 0.558 4.546 285 HB3 MET 39 2HB MET 39 -7.144 1.047 5.527 286 HG2 MET 39 1HG MET 39 -8.638 -0.120 3.952 287 HG3 MET 39 2HG MET 39 -7.228 -0.664 3.048 288 HE1 MET 39 3HE MET 39 -9.094 -0.824 6.523 289 HE2 MET 39 1HE MET 39 -7.460 -0.316 6.951 290 HE3 MET 39 2HE MET 39 -8.037 -1.915 7.420 291 H LYS 40 H LYS 40 -8.227 2.501 1.489 292 HA LYS 40 HA LYS 40 -10.875 2.568 2.781 293 HB2 LYS 40 1HB LYS 40 -9.993 3.839 0.179 294 HB3 LYS 40 2HB LYS 40 -11.641 3.833 0.785 295 HG2 LYS 40 1HG LYS 40 -10.860 5.105 2.765 296 HG3 LYS 40 2HG LYS 40 -9.264 5.203 2.018 297 HD2 LYS 40 1HD LYS 40 -10.213 6.367 0.105 298 HD3 LYS 40 2HD LYS 40 -11.825 6.233 0.808 299 HE2 LYS 40 1HE LYS 40 -10.891 8.456 1.176 300 HE3 LYS 40 2HE LYS 40 -11.118 7.603 2.703 301 HZ1 LYS 40 3HZ LYS 40 -8.533 7.793 1.250 302 HZ2 LYS 40 1HZ LYS 40 -8.783 7.115 2.783 303 HZ3 LYS 40 2HZ LYS 40 -8.974 8.783 2.552 304 H LYS 41 H LYS 41 -12.348 1.056 2.126 305 HA LYS 41 HA LYS 41 -11.389 -1.001 0.350 306 HB2 LYS 41 1HB LYS 41 -13.530 -2.136 0.789 307 HB3 LYS 41 2HB LYS 41 -12.695 -1.693 2.266 308 HG2 LYS 41 1HG LYS 41 -14.199 0.190 2.576 309 HG3 LYS 41 2HG LYS 41 -15.019 -0.204 1.061 310 HD2 LYS 41 1HD LYS 41 -15.628 -2.402 1.984 311 HD3 LYS 41 2HD LYS 41 -14.846 -1.969 3.505 312 HE2 LYS 41 1HE LYS 41 -16.421 -0.122 3.791 313 HE3 LYS 41 2HE LYS 41 -17.189 -0.534 2.258 314 HZ1 LYS 41 3HZ LYS 41 -17.115 -2.208 4.714 315 HZ2 LYS 41 1HZ LYS 41 -17.718 -2.735 3.219 316 HZ3 LYS 41 2HZ LYS 41 -18.472 -1.454 4.034 317 H ILE 42 H ILE 42 -11.844 -1.257 -1.747 318 HA ILE 42 HA ILE 42 -13.278 1.007 -2.962 319 HB ILE 42 HB ILE 42 -10.935 -0.556 -4.046 320 HG12 ILE 42 1HG1 ILE 42 -11.031 2.288 -3.019 321 HG13 ILE 42 2HG1 ILE 42 -10.440 0.921 -2.082 322 HG21 ILE 42 1HG2 ILE 42 -10.850 1.163 -5.790 323 HG22 ILE 42 2HG2 ILE 42 -12.306 1.906 -5.125 324 HG23 ILE 42 3HG2 ILE 42 -12.381 0.286 -5.819 325 HD11 ILE 42 3HD1 ILE 42 -8.671 0.563 -3.711 326 HD12 ILE 42 1HD1 ILE 42 -8.618 2.198 -3.053 327 HD13 ILE 42 2HD1 ILE 42 -9.270 1.918 -4.667 328 H LYS 43 H LYS 43 -14.946 0.596 -4.219 329 HA LYS 43 HA LYS 43 -16.313 -0.341 -5.757 330 HB2 LYS 43 1HB LYS 43 -14.015 -0.495 -6.908 331 HB3 LYS 43 2HB LYS 43 -14.082 -2.207 -6.518 332 HG2 LYS 43 1HG LYS 43 -16.111 -2.455 -7.811 333 HG3 LYS 43 2HG LYS 43 -16.129 -0.724 -8.154 334 HD2 LYS 43 1HD LYS 43 -13.890 -1.017 -9.244 335 HD3 LYS 43 2HD LYS 43 -14.098 -2.759 -9.055 336 HE2 LYS 43 1HE LYS 43 -14.753 -2.038 -11.289 337 HE3 LYS 43 2HE LYS 43 -16.137 -2.666 -10.394 338 HZ1 LYS 43 3HZ LYS 43 -16.918 -0.477 -9.996 339 HZ2 LYS 43 1HZ LYS 43 -16.569 -0.579 -11.651 340 HZ3 LYS 43 2HZ LYS 43 -15.499 0.226 -10.608 341 H GLY 44 H GLY 44 -16.171 -1.494 -3.073 342 HA2 GLY 44 1HA GLY 44 -17.468 -3.108 -2.045 343 HA3 GLY 44 2HA GLY 44 -17.856 -3.757 -3.631 344 H TYR 45 H TYR 45 -14.687 -3.306 -2.140 345 HA TYR 45 HA TYR 45 -14.270 -6.205 -2.322 346 HB2 TYR 45 1HB TYR 45 -12.424 -3.851 -2.383 347 HB3 TYR 45 2HB TYR 45 -11.813 -5.404 -1.834 348 HD1 TYR 45 HD1 TYR 45 -14.006 -4.271 -4.666 349 HD2 TYR 45 HD2 TYR 45 -10.602 -6.493 -3.423 350 HE1 TYR 45 HE1 TYR 45 -13.592 -4.933 -6.998 351 HE2 TYR 45 HE2 TYR 45 -10.179 -7.162 -5.744 352 HH TYR 45 HH TYR 45 -11.043 -7.251 -7.819 353 H THR 46 H THR 46 -12.668 -6.998 -0.562 354 HA THR 46 HA THR 46 -13.082 -5.678 2.020 355 HB THR 46 HB THR 46 -13.631 -8.623 1.547 356 HG1 THR 46 HG1 THR 46 -15.199 -6.605 1.095 357 HG21 THR 46 3HG2 THR 46 -12.668 -8.162 3.762 358 HG22 THR 46 1HG2 THR 46 -14.358 -8.652 3.882 359 HG23 THR 46 2HG2 THR 46 -13.918 -6.953 4.051 360 H LEU 47 H LEU 47 -11.257 -5.727 3.265 361 HA LEU 47 HA LEU 47 -8.816 -6.358 2.046 362 HB2 LEU 47 1HB LEU 47 -9.124 -4.719 3.899 363 HB3 LEU 47 2HB LEU 47 -9.320 -6.065 5.006 364 HG LEU 47 HG LEU 47 -6.995 -6.814 4.346 365 HD11 LEU 47 1HD1 LEU 47 -6.846 -5.593 2.241 366 HD12 LEU 47 2HD1 LEU 47 -5.528 -5.168 3.332 367 HD13 LEU 47 3HD1 LEU 47 -6.888 -4.065 3.122 368 HD21 LEU 47 3HD2 LEU 47 -7.303 -4.119 5.652 369 HD22 LEU 47 1HD2 LEU 47 -5.881 -5.156 5.763 370 HD23 LEU 47 2HD2 LEU 47 -7.417 -5.689 6.448 371 H LEU 48 H LEU 48 -7.726 -8.176 1.822 372 HA LEU 48 HA LEU 48 -8.623 -10.605 3.088 373 HB2 LEU 48 1HB LEU 48 -7.771 -10.594 0.776 374 HB3 LEU 48 2HB LEU 48 -6.210 -10.048 1.355 375 HG LEU 48 HG LEU 48 -5.950 -12.176 2.597 376 HD11 LEU 48 1HD1 LEU 48 -7.461 -14.039 2.098 377 HD12 LEU 48 2HD1 LEU 48 -8.503 -12.945 1.188 378 HD13 LEU 48 3HD1 LEU 48 -8.296 -12.724 2.926 379 HD21 LEU 48 3HD2 LEU 48 -5.596 -13.591 0.607 380 HD22 LEU 48 1HD2 LEU 48 -4.963 -11.958 0.405 381 HD23 LEU 48 2HD2 LEU 48 -6.484 -12.414 -0.361 382 H LYS 49 H LYS 49 -5.652 -8.682 3.081 383 HA LYS 49 HA LYS 49 -5.213 -8.735 5.837 384 HB2 LYS 49 1HB LYS 49 -4.805 -11.174 5.409 385 HB3 LYS 49 2HB LYS 49 -3.489 -10.725 4.333 386 HG2 LYS 49 1HG LYS 49 -2.390 -9.590 6.263 387 HG3 LYS 49 2HG LYS 49 -3.655 -10.249 7.300 388 HD2 LYS 49 1HD LYS 49 -3.001 -12.519 6.638 389 HD3 LYS 49 2HD LYS 49 -1.720 -11.846 5.625 390 HE2 LYS 49 1HE LYS 49 -1.962 -11.531 8.615 391 HE3 LYS 49 2HE LYS 49 -0.863 -12.626 7.779 392 HZ1 LYS 49 3HZ LYS 49 0.220 -10.696 6.769 393 HZ2 LYS 49 1HZ LYS 49 0.278 -10.622 8.461 394 HZ3 LYS 49 2HZ LYS 49 -0.818 -9.655 7.609 395 H TYR 50 H TYR 50 -3.170 -7.697 6.389 396 HA TYR 50 HA TYR 50 -2.070 -6.117 4.222 397 HB2 TYR 50 1HB TYR 50 -1.763 -6.135 7.198 398 HB3 TYR 50 2HB TYR 50 -0.513 -5.378 6.216 399 HD1 TYR 50 HD1 TYR 50 -2.347 -4.353 4.035 400 HD2 TYR 50 HD2 TYR 50 -2.598 -4.200 8.272 401 HE1 TYR 50 HE1 TYR 50 -3.652 -2.263 3.878 402 HE2 TYR 50 HE2 TYR 50 -3.907 -2.124 8.136 403 HH TYR 50 HH TYR 50 -4.238 -0.269 6.563 404 H ASP 51 H ASP 51 -0.060 -6.373 3.329 405 HA ASP 51 HA ASP 51 1.177 -8.927 3.830 406 HB2 ASP 51 1HB ASP 51 2.190 -8.726 1.783 407 HB3 ASP 51 2HB ASP 51 0.851 -7.614 1.530 408 H SER 52 H SER 52 1.608 -5.645 4.653 409 HA SER 52 HA SER 52 4.047 -6.323 6.136 410 HB2 SER 52 1HB SER 52 3.559 -3.650 4.798 411 HB3 SER 52 2HB SER 52 5.038 -4.202 5.584 412 HG SER 52 HG SER 52 3.887 -5.153 3.164 413 H GLU 53 H GLU 53 3.951 -5.771 8.249 414 HA GLU 53 HA GLU 53 1.573 -4.669 9.333 415 HB2 GLU 53 1HB GLU 53 4.284 -5.118 10.594 416 HB3 GLU 53 2HB GLU 53 2.842 -4.637 11.482 417 HG2 GLU 53 1HG GLU 53 1.724 -6.697 10.718 418 HG3 GLU 53 2HG GLU 53 3.222 -7.187 9.931 419 H ILE 54 H ILE 54 1.013 -2.641 9.794 420 HA ILE 54 HA ILE 54 2.625 -0.623 8.462 421 HB ILE 54 HB ILE 54 0.639 0.787 8.601 422 HG12 ILE 54 1HG1 ILE 54 -0.631 -1.548 10.059 423 HG13 ILE 54 2HG1 ILE 54 -0.163 -0.027 10.808 424 HG21 ILE 54 1HG2 ILE 54 0.073 -2.027 7.673 425 HG22 ILE 54 2HG2 ILE 54 0.865 -0.756 6.742 426 HG23 ILE 54 3HG2 ILE 54 -0.831 -0.589 7.194 427 HD11 ILE 54 3HD1 ILE 54 -2.254 -0.379 8.675 428 HD12 ILE 54 1HD1 ILE 54 -1.773 1.156 9.398 429 HD13 ILE 54 2HD1 ILE 54 -2.542 -0.083 10.390 430 H LEU 55 H LEU 55 2.618 -1.718 11.517 431 HA LEU 55 HA LEU 55 2.672 0.879 12.834 432 HB2 LEU 55 1HB LEU 55 1.579 -1.143 13.854 433 HB3 LEU 55 2HB LEU 55 3.173 -1.851 14.023 434 HG LEU 55 HG LEU 55 3.822 0.005 15.520 435 HD11 LEU 55 1HD1 LEU 55 0.933 0.835 15.267 436 HD12 LEU 55 2HD1 LEU 55 2.324 1.720 14.643 437 HD13 LEU 55 3HD1 LEU 55 2.116 1.521 16.383 438 HD21 LEU 55 3HD2 LEU 55 1.326 -1.489 16.319 439 HD22 LEU 55 1HD2 LEU 55 2.438 -0.690 17.431 440 HD23 LEU 55 2HD2 LEU 55 2.986 -2.064 16.472 441 H GLY 56 H GLY 56 4.720 -0.353 10.863 442 HA2 GLY 56 1HA GLY 56 7.136 -0.270 12.498 443 HA3 GLY 56 2HA GLY 56 7.048 -0.695 10.795 444 H VAL 57 H VAL 57 9.026 0.841 11.085 445 HA VAL 57 HA VAL 57 8.128 3.617 10.711 446 HB VAL 57 HB VAL 57 10.427 4.310 11.270 447 HG11 VAL 57 1HG1 VAL 57 9.134 2.571 13.369 448 HG12 VAL 57 2HG1 VAL 57 8.721 4.247 13.012 449 HG13 VAL 57 3HG1 VAL 57 10.308 3.853 13.668 450 HG21 VAL 57 3HG2 VAL 57 11.976 2.682 12.279 451 HG22 VAL 57 1HG2 VAL 57 11.638 2.323 10.586 452 HG23 VAL 57 2HG2 VAL 57 10.861 1.381 11.859 453 H PHE 58 H PHE 58 9.446 4.916 9.202 454 HA PHE 58 HA PHE 58 9.570 3.734 6.657 455 HB2 PHE 58 1HB PHE 58 10.150 6.377 7.815 456 HB3 PHE 58 2HB PHE 58 11.043 5.998 6.344 457 HD1 PHE 58 HD1 PHE 58 7.702 6.515 7.787 458 HD2 PHE 58 HD2 PHE 58 9.949 5.807 4.243 459 HE1 PHE 58 HE1 PHE 58 5.732 7.076 6.425 460 HE2 PHE 58 HE2 PHE 58 7.982 6.364 2.881 461 HZ PHE 58 HZ PHE 58 5.870 6.989 3.968 462 H THR 59 H THR 59 11.004 2.489 5.805 463 HA THR 59 HA THR 59 13.642 2.143 6.898 464 HB THR 59 HB THR 59 13.816 0.544 4.894 465 HG1 THR 59 HG1 THR 59 12.256 0.981 3.481 466 HG21 THR 59 3HG2 THR 59 12.376 -1.140 5.960 467 HG22 THR 59 1HG2 THR 59 11.590 0.128 6.899 468 HG23 THR 59 2HG2 THR 59 13.296 -0.235 7.160 469 H GLU 60 H GLU 60 15.452 1.947 5.087 470 HA GLU 60 HA GLU 60 15.672 4.536 3.837 471 HB2 GLU 60 1HB GLU 60 17.654 3.497 4.827 472 HB3 GLU 60 2HB GLU 60 17.505 2.133 3.726 473 HG2 GLU 60 1HG GLU 60 17.908 3.606 1.828 474 HG3 GLU 60 2HG GLU 60 18.035 4.984 2.920 475 H SER 61 H SER 61 15.337 1.191 2.799 476 HA SER 61 HA SER 61 15.165 1.905 0.006 477 HB2 SER 61 1HB SER 61 14.622 -0.716 1.431 478 HB3 SER 61 2HB SER 61 14.693 -0.506 -0.319 479 HG SER 61 HG SER 61 16.819 -0.017 1.517 480 HA PRO 62 HA PRO 62 10.828 2.797 -0.122 481 HB2 PRO 62 1HB PRO 62 10.253 1.771 -2.619 482 HB3 PRO 62 2HB PRO 62 10.950 3.367 -2.329 483 HG2 PRO 62 1HG PRO 62 12.304 0.815 -3.100 484 HG3 PRO 62 2HG PRO 62 12.620 2.467 -3.664 485 HD2 PRO 62 1HD PRO 62 14.196 1.270 -1.845 486 HD3 PRO 62 2HD PRO 62 13.845 3.010 -1.769 487 H GLN 63 H GLN 63 9.742 1.561 1.293 488 HA GLN 63 HA GLN 63 9.497 -1.297 0.895 489 HB2 GLN 63 1HB GLN 63 9.864 -0.431 3.153 490 HB3 GLN 63 2HB GLN 63 8.384 0.513 3.050 491 HG2 GLN 63 1HG GLN 63 7.042 -1.456 3.041 492 HG3 GLN 63 2HG GLN 63 8.462 -2.486 2.861 493 HE21 GLN 63 2HE2 GLN 63 6.611 -0.513 5.046 494 HE22 GLN 63 1HE2 GLN 63 7.359 -1.080 6.494 495 H THR 64 H THR 64 7.740 -2.341 0.166 496 HA THR 64 HA THR 64 5.645 -0.666 -0.991 497 HB THR 64 HB THR 64 6.268 -3.585 -1.474 498 HG1 THR 64 HG1 THR 64 7.129 -1.177 -2.673 499 HG21 THR 64 3HG2 THR 64 4.844 -3.337 -3.447 500 HG22 THR 64 1HG2 THR 64 4.497 -1.667 -2.995 501 HG23 THR 64 2HG2 THR 64 3.939 -2.991 -1.973 502 H ILE 65 H ILE 65 3.717 -0.529 -0.101 503 HA ILE 65 HA ILE 65 2.925 -2.485 1.942 504 HB ILE 65 HB ILE 65 1.607 0.156 1.269 505 HG12 ILE 65 1HG1 ILE 65 3.843 0.611 2.075 506 HG13 ILE 65 2HG1 ILE 65 2.694 0.987 3.357 507 HG21 ILE 65 1HG2 ILE 65 0.526 -0.113 3.462 508 HG22 ILE 65 2HG2 ILE 65 1.292 -1.692 3.632 509 HG23 ILE 65 3HG2 ILE 65 0.113 -1.418 2.350 510 HD11 ILE 65 3HD1 ILE 65 4.311 -1.542 3.154 511 HD12 ILE 65 1HD1 ILE 65 3.216 -1.102 4.464 512 HD13 ILE 65 2HD1 ILE 65 4.686 -0.163 4.190 513 H ASN 66 H ASN 66 1.916 -4.173 1.008 514 HA ASN 66 HA ASN 66 0.225 -3.663 -1.320 515 HB2 ASN 66 1HB ASN 66 1.155 -6.267 -0.091 516 HB3 ASN 66 2HB ASN 66 0.142 -6.139 -1.525 517 HD21 ASN 66 2HD2 ASN 66 3.322 -5.771 -0.218 518 HD22 ASN 66 1HD2 ASN 66 4.138 -5.565 -1.730 519 H ILE 67 H ILE 67 -1.610 -2.779 -0.524 520 HA ILE 67 HA ILE 67 -3.090 -4.111 1.581 521 HB ILE 67 HB ILE 67 -3.994 -1.856 -0.221 522 HG12 ILE 67 1HG1 ILE 67 -2.735 -1.766 2.531 523 HG13 ILE 67 2HG1 ILE 67 -2.019 -1.173 1.038 524 HG21 ILE 67 1HG2 ILE 67 -5.075 -2.895 2.395 525 HG22 ILE 67 2HG2 ILE 67 -5.845 -3.012 0.812 526 HG23 ILE 67 3HG2 ILE 67 -5.634 -1.436 1.577 527 HD11 ILE 67 3HD1 ILE 67 -4.501 -0.081 2.338 528 HD12 ILE 67 1HD1 ILE 67 -3.744 0.528 0.865 529 HD13 ILE 67 2HD1 ILE 67 -2.893 0.640 2.407 530 H ILE 68 H ILE 68 -3.640 -6.099 0.869 531 HA ILE 68 HA ILE 68 -4.655 -6.426 -1.841 532 HB ILE 68 HB ILE 68 -3.981 -8.501 0.249 533 HG12 ILE 68 1HG1 ILE 68 -2.450 -7.627 -2.211 534 HG13 ILE 68 2HG1 ILE 68 -2.059 -7.144 -0.564 535 HG21 ILE 68 1HG2 ILE 68 -4.627 -8.809 -2.685 536 HG22 ILE 68 2HG2 ILE 68 -5.637 -9.327 -1.335 537 HG23 ILE 68 3HG2 ILE 68 -4.077 -10.101 -1.617 538 HD11 ILE 68 3HD1 ILE 68 -2.007 -9.943 -1.656 539 HD12 ILE 68 1HD1 ILE 68 -1.643 -9.483 0.007 540 HD13 ILE 68 2HD1 ILE 68 -0.612 -8.922 -1.310 541 H TYR 69 H TYR 69 -6.731 -6.250 -2.188 542 HA TYR 69 HA TYR 69 -8.623 -6.927 -0.053 543 HB2 TYR 69 1HB TYR 69 -9.045 -5.478 -2.673 544 HB3 TYR 69 2HB TYR 69 -10.306 -5.811 -1.494 545 HD1 TYR 69 HD2 TYR 69 -9.782 -4.899 0.943 546 HD2 TYR 69 HD1 TYR 69 -8.030 -3.421 -2.640 547 HE1 TYR 69 HE2 TYR 69 -9.299 -2.766 2.066 548 HE2 TYR 69 HE1 TYR 69 -7.546 -1.285 -1.528 549 HH TYR 69 HH TYR 69 -8.532 0.015 0.460 550 H GLN 70 H GLN 70 -9.938 -8.630 -0.195 551 HA GLN 70 HA GLN 70 -9.821 -10.317 -2.577 552 HB2 GLN 70 1HB GLN 70 -9.578 -11.461 -0.443 553 HB3 GLN 70 2HB GLN 70 -11.057 -10.726 0.158 554 HG2 GLN 70 1HG GLN 70 -12.360 -11.974 -1.472 555 HG3 GLN 70 2HG GLN 70 -10.883 -12.690 -2.117 556 HE21 GLN 70 2HE2 GLN 70 -9.837 -14.286 -0.971 557 HE22 GLN 70 1HE2 GLN 70 -10.568 -15.102 0.381 558 H LYS 71 H LYS 71 -11.497 -10.440 -4.006 559 HA LYS 71 HA LYS 71 -13.596 -8.531 -3.837 560 HB2 LYS 71 1HB LYS 71 -12.757 -9.302 -6.011 561 HB3 LYS 71 2HB LYS 71 -13.328 -10.931 -5.662 562 HG2 LYS 71 1HG LYS 71 -15.635 -10.082 -5.573 563 HG3 LYS 71 2HG LYS 71 -15.042 -8.472 -5.981 564 HD2 LYS 71 1HD LYS 71 -14.191 -9.320 -8.109 565 HD3 LYS 71 2HD LYS 71 -14.767 -10.938 -7.696 566 HE2 LYS 71 1HE LYS 71 -17.064 -10.055 -7.564 567 HE3 LYS 71 2HE LYS 71 -16.465 -8.472 -8.056 568 HZ1 LYS 71 3HZ LYS 71 -15.743 -9.429 -10.148 569 HZ2 LYS 71 1HZ LYS 71 -17.401 -9.703 -9.910 570 HZ3 LYS 71 2HZ LYS 71 -16.292 -10.961 -9.666 571 H LYS 72 H LYS 72 -15.239 -8.675 -2.497 572 HA LYS 72 HA LYS 72 -15.913 -11.068 -1.148 573 HB2 LYS 72 1HB LYS 72 -17.787 -9.778 -0.199 574 HB3 LYS 72 2HB LYS 72 -16.262 -8.913 -0.079 575 HG2 LYS 72 1HG LYS 72 -16.857 -7.506 -1.938 576 HG3 LYS 72 2HG LYS 72 -18.335 -8.429 -2.207 577 HD2 LYS 72 1HD LYS 72 -19.160 -7.740 -0.008 578 HD3 LYS 72 2HD LYS 72 -17.676 -6.818 0.254 579 HE2 LYS 72 1HE LYS 72 -19.532 -5.389 -0.474 580 HE3 LYS 72 2HE LYS 72 -18.197 -5.384 -1.624 581 HZ1 LYS 72 3HZ LYS 72 -19.456 -7.052 -2.935 582 HZ2 LYS 72 1HZ LYS 72 -20.229 -5.545 -2.824 583 HZ3 LYS 72 2HZ LYS 72 -20.770 -6.846 -1.880 584 H ALA 73 H ALA 73 -17.615 -12.413 -1.363 585 HA ALA 73 HA ALA 73 -18.965 -12.388 -3.964 586 HB1 ALA 73 3HB ALA 73 -17.788 -14.436 -3.352 587 HB2 ALA 73 1HB ALA 73 -19.526 -14.728 -3.419 588 HB3 ALA 73 2HB ALA 73 -18.722 -14.547 -1.861 589 HA PRO 74 HA PRO 74 -23.105 -11.591 -2.336 590 HB2 PRO 74 1HB PRO 74 -24.281 -14.145 -2.611 591 HB3 PRO 74 2HB PRO 74 -24.388 -12.806 -3.756 592 HG2 PRO 74 1HG PRO 74 -22.603 -15.184 -3.779 593 HG3 PRO 74 2HG PRO 74 -23.284 -14.272 -5.139 594 HD2 PRO 74 1HD PRO 74 -20.702 -14.045 -4.443 595 HD3 PRO 74 2HD PRO 74 -21.628 -12.647 -5.035 596 H GLU 75 H GLU 75 -21.715 -14.727 -1.472 597 HA GLU 75 HA GLU 75 -21.534 -15.877 0.460 598 HB2 GLU 75 1HB GLU 75 -21.119 -13.042 1.393 599 HB3 GLU 75 2HB GLU 75 -20.843 -14.442 2.428 600 HG2 GLU 75 1HG GLU 75 -19.068 -15.206 1.135 601 HG3 GLU 75 2HG GLU 75 -19.541 -14.242 -0.259 602 H GLN 76 H GLN 76 -23.627 -16.654 0.347 603 HA GLN 76 HA GLN 76 -25.778 -15.309 1.748 604 HB2 GLN 76 1HB GLN 76 -25.729 -18.031 0.427 605 HB3 GLN 76 2HB GLN 76 -27.160 -17.127 0.912 606 HG2 GLN 76 1HG GLN 76 -26.783 -15.477 -0.751 607 HG3 GLN 76 2HG GLN 76 -25.187 -16.123 -1.123 608 HE21 GLN 76 2HE2 GLN 76 -27.453 -15.669 -2.883 609 HE22 GLN 76 1HE2 GLN 76 -27.828 -17.202 -3.595 610 H ALA 77 H ALA 77 -23.249 -17.108 2.738 611 HA ALA 77 HA ALA 77 -24.623 -18.831 4.611 612 HB1 ALA 77 3HB ALA 77 -22.391 -19.550 5.274 613 HB2 ALA 77 1HB ALA 77 -21.676 -18.285 4.274 614 HB3 ALA 77 2HB ALA 77 -22.575 -19.602 3.521 615 H LEU 78 H LEU 78 -23.818 -18.780 6.947 616 HA LEU 78 HA LEU 78 -24.173 -16.012 7.855 617 HB2 LEU 78 1HB LEU 78 -24.652 -18.626 9.280 618 HB3 LEU 78 2HB LEU 78 -24.880 -17.045 9.998 619 HG LEU 78 HG LEU 78 -26.429 -18.171 7.664 620 HD11 LEU 78 1HD1 LEU 78 -27.013 -19.180 9.805 621 HD12 LEU 78 2HD1 LEU 78 -28.313 -18.147 9.210 622 HD13 LEU 78 3HD1 LEU 78 -27.254 -17.577 10.501 623 HD21 LEU 78 3HD2 LEU 78 -27.794 -16.154 7.840 624 HD22 LEU 78 1HD2 LEU 78 -26.122 -15.754 7.453 625 HD23 LEU 78 2HD2 LEU 78 -26.725 -15.531 9.095 626 H GLU 79 H GLU 79 -21.645 -17.918 7.292 627 HA GLU 79 HA GLU 79 -20.211 -17.495 9.755 628 HB2 GLU 79 1HB GLU 79 -18.234 -18.173 8.095 629 HB3 GLU 79 2HB GLU 79 -19.308 -19.354 8.825 630 HG2 GLU 79 1HG GLU 79 -19.217 -20.007 6.613 631 HG3 GLU 79 2HG GLU 79 -20.718 -19.090 6.698 632 H HIS 80 H HIS 80 -20.426 -15.976 6.594 633 HA HIS 80 HA HIS 80 -18.816 -13.724 7.530 634 HB2 HIS 80 1HB HIS 80 -20.283 -14.273 4.943 635 HB3 HIS 80 2HB HIS 80 -19.556 -12.714 5.303 636 HD1 HIS 80 HD1 HIS 80 -18.720 -16.218 4.345 637 HD2 HIS 80 HD2 HIS 80 -16.751 -12.654 5.188 638 HE1 HIS 80 HE1 HIS 80 -16.376 -16.513 3.476 639 HE2 HIS 80 HE2 HIS 80 -15.236 -14.304 3.890 640 H HIS 81 H HIS 81 -19.717 -11.661 7.945 641 HA HIS 81 HA HIS 81 -22.629 -11.753 8.340 642 HB2 HIS 81 1HB HIS 81 -22.357 -9.988 10.054 643 HB3 HIS 81 2HB HIS 81 -21.522 -11.477 10.465 644 HD1 HIS 81 HD1 HIS 81 -18.911 -11.417 10.435 645 HD2 HIS 81 HD2 HIS 81 -20.748 -7.732 9.819 646 HE1 HIS 81 HE1 HIS 81 -17.115 -9.689 10.788 647 HE2 HIS 81 HE2 HIS 81 -18.215 -7.480 10.297 648 H HIS 82 H HIS 82 -23.350 -11.060 6.423 649 HA HIS 82 HA HIS 82 -22.459 -8.458 5.446 650 HB2 HIS 82 1HB HIS 82 -24.282 -10.572 4.308 651 HB3 HIS 82 2HB HIS 82 -24.203 -8.953 3.620 652 HD1 HIS 82 HD1 HIS 82 -22.696 -8.852 1.679 653 HD2 HIS 82 HD2 HIS 82 -21.407 -11.646 4.480 654 HE1 HIS 82 HE1 HIS 82 -20.590 -9.850 0.727 655 HE2 HIS 82 HE2 HIS 82 -19.855 -11.586 2.407 656 H HIS 83 H HIS 83 -23.424 -6.669 6.074 657 HA HIS 83 HA HIS 83 -26.059 -6.917 7.359 658 HB2 HIS 83 1HB HIS 83 -24.217 -6.552 8.956 659 HB3 HIS 83 2HB HIS 83 -23.766 -5.086 8.096 660 HD1 HIS 83 HD1 HIS 83 -26.995 -6.389 9.664 661 HD2 HIS 83 HD2 HIS 83 -24.681 -2.941 9.422 662 HE1 HIS 83 HE1 HIS 83 -28.200 -4.658 11.039 663 HE2 HIS 83 HE2 HIS 83 -26.863 -2.540 10.743 664 H HIS 84 H HIS 84 -27.611 -5.466 6.859 665 HA HIS 84 HA HIS 84 -27.299 -3.845 4.515 666 HB2 HIS 84 1HB HIS 84 -29.541 -4.184 6.506 667 HB3 HIS 84 2HB HIS 84 -29.640 -3.047 5.168 668 HD1 HIS 84 HD1 HIS 84 -30.807 -3.953 3.208 669 HD2 HIS 84 HD2 HIS 84 -28.970 -6.957 5.424 670 HE1 HIS 84 HE1 HIS 84 -31.429 -6.109 2.077 671 HE2 HIS 84 HE2 HIS 84 -30.515 -7.912 3.579 672 H HIS 85 H HIS 85 -28.114 -1.497 4.585 673 HA HIS 85 HA HIS 85 -27.230 -0.154 7.046 674 HB2 HIS 85 1HB HIS 85 -26.731 0.815 4.218 675 HB3 HIS 85 2HB HIS 85 -26.321 1.692 5.687 676 HD1 HIS 85 HD1 HIS 85 -24.569 0.240 7.310 677 HD2 HIS 85 HD2 HIS 85 -24.685 -0.640 3.245 678 HE1 HIS 85 HE1 HIS 85 -22.409 -0.943 6.809 679 HE2 HIS 85 HE2 HIS 85 -22.422 -1.289 4.316 Start of MODEL 8 1 H1 MET 1 1H MET 1 25.974 16.721 -3.308 2 H2 MET 1 2H MET 1 24.380 16.880 -3.862 3 H3 MET 1 3H MET 1 25.022 15.342 -3.558 4 HA MET 1 HA MET 1 25.256 15.911 -1.205 5 HB2 MET 1 1HB MET 1 23.794 18.400 -2.100 6 HB3 MET 1 2HB MET 1 23.946 17.907 -0.420 7 HG2 MET 1 1HG MET 1 26.383 18.066 -0.604 8 HG3 MET 1 2HG MET 1 26.211 18.596 -2.277 9 HE1 MET 1 3HE MET 1 27.718 20.719 -1.698 10 HE2 MET 1 1HE MET 1 27.843 20.193 -0.019 11 HE3 MET 1 2HE MET 1 27.355 21.845 -0.390 12 H ASP 2 H ASP 2 23.847 14.162 -2.756 13 HA ASP 2 HA ASP 2 21.114 14.331 -1.663 14 HB2 ASP 2 1HB ASP 2 21.032 14.339 -4.071 15 HB3 ASP 2 2HB ASP 2 22.135 12.970 -4.163 16 H PHE 3 H PHE 3 20.261 12.530 -0.638 17 HA PHE 3 HA PHE 3 22.150 10.941 0.771 18 HB2 PHE 3 1HB PHE 3 19.146 10.622 0.618 19 HB3 PHE 3 2HB PHE 3 20.202 9.903 1.825 20 HD1 PHE 3 HD2 PHE 3 21.335 11.352 3.488 21 HD2 PHE 3 HD1 PHE 3 18.386 12.847 0.809 22 HE1 PHE 3 HE2 PHE 3 21.036 13.327 4.924 23 HE2 PHE 3 HE1 PHE 3 18.083 14.825 2.239 24 HZ PHE 3 HZ PHE 3 19.407 15.066 4.301 25 H GLY 4 H GLY 4 19.873 10.298 -1.854 26 HA2 GLY 4 1HA GLY 4 20.191 8.613 -3.497 27 HA3 GLY 4 2HA GLY 4 21.262 7.766 -2.386 28 H LYS 5 H LYS 5 18.595 8.861 -0.745 29 HA LYS 5 HA LYS 5 17.107 6.358 -1.148 30 HB2 LYS 5 1HB LYS 5 17.705 7.660 1.520 31 HB3 LYS 5 2HB LYS 5 16.642 6.284 1.283 32 HG2 LYS 5 1HG LYS 5 18.592 5.304 2.023 33 HG3 LYS 5 2HG LYS 5 18.723 5.140 0.272 34 HD2 LYS 5 1HD LYS 5 20.162 7.100 0.181 35 HD3 LYS 5 2HD LYS 5 19.997 7.318 1.924 36 HE2 LYS 5 1HE LYS 5 21.049 5.129 2.278 37 HE3 LYS 5 2HE LYS 5 21.243 4.951 0.534 38 HZ1 LYS 5 3HZ LYS 5 23.267 5.751 1.636 39 HZ2 LYS 5 1HZ LYS 5 22.434 7.133 2.161 40 HZ3 LYS 5 2HZ LYS 5 22.677 6.864 0.505 41 HA PRO 6 HA PRO 6 13.930 9.440 -1.584 42 HB2 PRO 6 1HB PRO 6 11.986 7.816 -2.479 43 HB3 PRO 6 2HB PRO 6 13.376 8.251 -3.481 44 HG2 PRO 6 1HG PRO 6 12.844 5.736 -1.964 45 HG3 PRO 6 2HG PRO 6 13.574 5.947 -3.565 46 HD2 PRO 6 1HD PRO 6 14.990 5.521 -1.225 47 HD3 PRO 6 2HD PRO 6 15.656 6.263 -2.692 48 H ASN 7 H ASN 7 13.798 6.663 0.502 49 HA ASN 7 HA ASN 7 12.468 6.017 2.237 50 HB2 ASN 7 1HB ASN 7 11.993 9.004 2.413 51 HB3 ASN 7 2HB ASN 7 11.486 7.848 3.639 52 HD21 ASN 7 2HD2 ASN 7 13.300 10.087 3.874 53 HD22 ASN 7 1HD2 ASN 7 14.812 9.440 4.403 54 H GLN 8 H GLN 8 11.377 6.088 -0.420 55 HA GLN 8 HA GLN 8 8.682 7.083 -0.282 56 HB2 GLN 8 1HB GLN 8 9.798 7.268 -2.388 57 HB3 GLN 8 2HB GLN 8 10.227 5.564 -2.381 58 HG2 GLN 8 1HG GLN 8 7.833 4.995 -2.586 59 HG3 GLN 8 2HG GLN 8 7.460 6.716 -2.684 60 HE21 GLN 8 2HE2 GLN 8 7.092 4.497 -4.616 61 HE22 GLN 8 1HE2 GLN 8 7.881 5.014 -6.068 62 H VAL 9 H VAL 9 7.347 5.981 1.024 63 HA VAL 9 HA VAL 9 7.252 3.078 0.907 64 HB VAL 9 HB VAL 9 5.528 5.059 2.411 65 HG11 VAL 9 1HG1 VAL 9 4.650 3.100 3.614 66 HG12 VAL 9 2HG1 VAL 9 5.541 2.045 2.516 67 HG13 VAL 9 3HG1 VAL 9 4.241 3.064 1.899 68 HG21 VAL 9 3HG2 VAL 9 7.809 4.939 3.245 69 HG22 VAL 9 1HG2 VAL 9 7.695 3.182 3.343 70 HG23 VAL 9 2HG2 VAL 9 6.694 4.188 4.389 71 H THR 10 H THR 10 5.987 1.984 -0.448 72 HA THR 10 HA THR 10 4.017 3.536 -1.994 73 HB THR 10 HB THR 10 5.393 1.004 -2.904 74 HG1 THR 10 HG1 THR 10 6.592 3.243 -2.519 75 HG21 THR 10 3HG2 THR 10 4.659 1.727 -5.121 76 HG22 THR 10 1HG2 THR 10 3.914 3.163 -4.416 77 HG23 THR 10 2HG2 THR 10 3.280 1.562 -4.033 78 H VAL 11 H VAL 11 2.102 3.152 -1.070 79 HA VAL 11 HA VAL 11 1.421 0.462 -0.183 80 HB VAL 11 HB VAL 11 -0.206 3.007 -0.067 81 HG11 VAL 11 1HG1 VAL 11 -1.630 1.764 1.506 82 HG12 VAL 11 2HG1 VAL 11 -0.686 0.308 1.185 83 HG13 VAL 11 3HG1 VAL 11 -1.632 1.049 -0.106 84 HG21 VAL 11 3HG2 VAL 11 1.786 3.128 1.330 85 HG22 VAL 11 1HG2 VAL 11 1.361 1.591 2.084 86 HG23 VAL 11 2HG2 VAL 11 0.332 3.004 2.322 87 H ASN 12 H ASN 12 0.749 -0.904 -1.656 88 HA ASN 12 HA ASN 12 -0.628 0.114 -4.041 89 HB2 ASN 12 1HB ASN 12 0.876 -2.444 -3.493 90 HB3 ASN 12 2HB ASN 12 -0.148 -2.248 -4.910 91 HD21 ASN 12 2HD2 ASN 12 2.758 -2.639 -4.608 92 HD22 ASN 12 1HD2 ASN 12 3.492 -1.336 -5.485 93 H TYR 13 H TYR 13 -2.704 -0.264 -4.353 94 HA TYR 13 HA TYR 13 -4.148 -1.980 -2.493 95 HB2 TYR 13 1HB TYR 13 -5.205 -0.202 -4.709 96 HB3 TYR 13 2HB TYR 13 -6.165 -0.996 -3.466 97 HD1 TYR 13 HD1 TYR 13 -6.181 -0.148 -1.174 98 HD2 TYR 13 HD2 TYR 13 -3.905 1.795 -4.197 99 HE1 TYR 13 HE1 TYR 13 -5.962 1.827 0.268 100 HE2 TYR 13 HE2 TYR 13 -3.680 3.775 -2.760 101 HH TYR 13 HH TYR 13 -4.512 3.765 0.555 102 H LEU 14 H LEU 14 -3.870 -4.079 -3.072 103 HA LEU 14 HA LEU 14 -3.706 -4.691 -5.928 104 HB2 LEU 14 1HB LEU 14 -2.854 -6.287 -3.522 105 HB3 LEU 14 2HB LEU 14 -2.676 -6.811 -5.187 106 HG LEU 14 HG LEU 14 -1.321 -4.428 -3.920 107 HD11 LEU 14 1HD1 LEU 14 -0.410 -6.571 -3.200 108 HD12 LEU 14 2HD1 LEU 14 0.719 -5.718 -4.252 109 HD13 LEU 14 3HD1 LEU 14 -0.227 -7.066 -4.883 110 HD21 LEU 14 3HD2 LEU 14 -1.857 -4.008 -6.264 111 HD22 LEU 14 1HD2 LEU 14 -1.097 -5.534 -6.717 112 HD23 LEU 14 2HD2 LEU 14 -0.122 -4.230 -6.038 113 H ASP 15 H ASP 15 -4.982 -6.010 -6.944 114 HA ASP 15 HA ASP 15 -7.400 -7.050 -5.877 115 HB2 ASP 15 1HB ASP 15 -6.916 -6.410 -8.295 116 HB3 ASP 15 2HB ASP 15 -5.969 -7.884 -8.419 117 H GLU 16 H GLU 16 -7.865 -9.465 -6.176 118 HA GLU 16 HA GLU 16 -6.103 -11.017 -4.568 119 HB2 GLU 16 1HB GLU 16 -8.536 -11.381 -4.539 120 HB3 GLU 16 2HB GLU 16 -8.494 -11.850 -6.232 121 HG2 GLU 16 1HG GLU 16 -7.021 -13.750 -5.606 122 HG3 GLU 16 2HG GLU 16 -7.257 -13.315 -3.914 123 H ASN 17 H ASN 17 -6.794 -10.677 -7.983 124 HA ASN 17 HA ASN 17 -5.020 -12.784 -8.841 125 HB2 ASN 17 1HB ASN 17 -6.089 -10.422 -10.415 126 HB3 ASN 17 2HB ASN 17 -5.379 -11.885 -11.086 127 HD21 ASN 17 2HD2 ASN 17 -8.001 -10.668 -11.492 128 HD22 ASN 17 1HD2 ASN 17 -9.157 -11.898 -11.088 129 H ASN 18 H ASN 18 -4.564 -9.954 -7.376 130 HA ASN 18 HA ASN 18 -2.872 -8.602 -6.910 131 HB2 ASN 18 1HB ASN 18 -1.439 -10.565 -6.773 132 HB3 ASN 18 2HB ASN 18 -1.192 -10.542 -8.517 133 HD21 ASN 18 2HD2 ASN 18 1.040 -10.359 -8.293 134 HD22 ASN 18 1HD2 ASN 18 1.787 -8.882 -7.790 135 H THR 19 H THR 19 -3.834 -6.966 -8.016 136 HA THR 19 HA THR 19 -2.186 -5.801 -10.071 137 HB THR 19 HB THR 19 -5.147 -6.209 -10.611 138 HG1 THR 19 HG1 THR 19 -2.982 -7.765 -11.180 139 HG21 THR 19 3HG2 THR 19 -2.981 -4.978 -12.322 140 HG22 THR 19 1HG2 THR 19 -4.272 -4.100 -11.503 141 HG23 THR 19 2HG2 THR 19 -4.659 -5.227 -12.803 142 H SER 20 H SER 20 -2.284 -3.532 -9.913 143 HA SER 20 HA SER 20 -3.447 -2.589 -7.469 144 HB2 SER 20 1HB SER 20 -1.233 -1.826 -8.589 145 HB3 SER 20 2HB SER 20 -2.264 -0.794 -9.580 146 HG SER 20 HG SER 20 -2.781 0.393 -7.854 147 H ILE 21 H ILE 21 -5.609 -2.595 -7.498 148 HA ILE 21 HA ILE 21 -7.139 -1.768 -9.787 149 HB ILE 21 HB ILE 21 -9.106 -2.065 -8.260 150 HG12 ILE 21 1HG1 ILE 21 -6.957 -2.950 -6.317 151 HG13 ILE 21 2HG1 ILE 21 -8.005 -1.547 -6.134 152 HG21 ILE 21 1HG2 ILE 21 -7.167 -4.364 -8.466 153 HG22 ILE 21 2HG2 ILE 21 -8.326 -3.860 -9.695 154 HG23 ILE 21 3HG2 ILE 21 -8.897 -4.507 -8.157 155 HD11 ILE 21 3HD1 ILE 21 -9.942 -3.011 -5.965 156 HD12 ILE 21 1HD1 ILE 21 -8.734 -3.399 -4.740 157 HD13 ILE 21 2HD1 ILE 21 -8.901 -4.421 -6.168 158 H ALA 22 H ALA 22 -5.676 -0.183 -7.214 159 HA ALA 22 HA ALA 22 -7.095 2.288 -7.929 160 HB1 ALA 22 3HB ALA 22 -6.955 3.049 -5.608 161 HB2 ALA 22 1HB ALA 22 -6.223 1.514 -5.138 162 HB3 ALA 22 2HB ALA 22 -7.887 1.557 -5.720 163 HA PRO 23 HA PRO 23 -3.125 4.026 -8.782 164 HB2 PRO 23 1HB PRO 23 -3.840 6.269 -6.957 165 HB3 PRO 23 2HB PRO 23 -3.299 6.315 -8.639 166 HG2 PRO 23 1HG PRO 23 -5.853 6.744 -8.022 167 HG3 PRO 23 2HG PRO 23 -5.407 5.821 -9.469 168 HD2 PRO 23 1HD PRO 23 -6.449 4.850 -6.845 169 HD3 PRO 23 2HD PRO 23 -6.769 4.246 -8.484 170 H SER 24 H SER 24 -1.177 3.605 -7.960 171 HA SER 24 HA SER 24 -0.736 2.609 -5.406 172 HB2 SER 24 1HB SER 24 1.285 3.934 -7.230 173 HB3 SER 24 2HB SER 24 1.648 2.827 -5.906 174 HG SER 24 HG SER 24 0.786 1.161 -7.033 175 H LEU 25 H LEU 25 -0.445 3.507 -3.482 176 HA LEU 25 HA LEU 25 -0.603 6.405 -3.300 177 HB2 LEU 25 1HB LEU 25 -2.119 5.044 -1.964 178 HB3 LEU 25 2HB LEU 25 -0.762 4.239 -1.209 179 HG LEU 25 HG LEU 25 -0.093 6.396 -0.185 180 HD11 LEU 25 1HD1 LEU 25 -1.086 7.912 -1.804 181 HD12 LEU 25 2HD1 LEU 25 -1.698 8.246 -0.184 182 HD13 LEU 25 3HD1 LEU 25 -2.699 7.372 -1.343 183 HD21 LEU 25 3HD2 LEU 25 -1.907 6.441 1.465 184 HD22 LEU 25 1HD2 LEU 25 -1.421 4.794 1.063 185 HD23 LEU 25 2HD2 LEU 25 -2.903 5.466 0.383 186 H TYR 26 H TYR 26 1.242 7.476 -3.372 187 HA TYR 26 HA TYR 26 3.697 6.252 -2.408 188 HB2 TYR 26 1HB TYR 26 3.314 8.940 -3.744 189 HB3 TYR 26 2HB TYR 26 4.839 8.091 -3.498 190 HD1 TYR 26 HD2 TYR 26 5.019 5.732 -4.613 191 HD2 TYR 26 HD1 TYR 26 2.182 8.690 -5.752 192 HE1 TYR 26 HE2 TYR 26 4.739 4.618 -6.789 193 HE2 TYR 26 HE1 TYR 26 1.890 7.583 -7.927 194 HH TYR 26 HH TYR 26 3.142 6.069 -9.412 195 H LEU 27 H LEU 27 4.072 6.405 -0.331 196 HA LEU 27 HA LEU 27 3.298 8.853 1.108 197 HB2 LEU 27 1HB LEU 27 2.303 6.720 1.873 198 HB3 LEU 27 2HB LEU 27 3.910 6.083 2.147 199 HG LEU 27 HG LEU 27 4.249 7.906 3.849 200 HD11 LEU 27 1HD1 LEU 27 1.276 8.253 3.476 201 HD12 LEU 27 2HD1 LEU 27 2.521 9.448 3.104 202 HD13 LEU 27 3HD1 LEU 27 2.238 8.957 4.775 203 HD21 LEU 27 3HD2 LEU 27 1.992 5.969 4.331 204 HD22 LEU 27 1HD2 LEU 27 2.975 6.751 5.569 205 HD23 LEU 27 2HD2 LEU 27 3.713 5.601 4.453 206 H SER 28 H SER 28 4.990 10.219 1.181 207 HA SER 28 HA SER 28 7.656 9.080 1.699 208 HB2 SER 28 1HB SER 28 6.960 11.799 0.562 209 HB3 SER 28 2HB SER 28 8.577 11.107 0.715 210 HG SER 28 HG SER 28 6.751 9.539 -0.639 211 H GLY 29 H GLY 29 8.815 9.746 3.459 212 HA2 GLY 29 1HA GLY 29 7.891 11.966 5.071 213 HA3 GLY 29 2HA GLY 29 7.649 10.382 5.794 214 H LEU 30 H LEU 30 9.053 11.063 7.495 215 HA LEU 30 HA LEU 30 11.852 11.536 6.787 216 HB2 LEU 30 1HB LEU 30 10.498 11.526 9.489 217 HB3 LEU 30 2HB LEU 30 12.143 12.039 9.164 218 HG LEU 30 HG LEU 30 9.658 13.398 8.116 219 HD11 LEU 30 1HD1 LEU 30 9.907 13.678 10.519 220 HD12 LEU 30 2HD1 LEU 30 10.246 15.187 9.671 221 HD13 LEU 30 3HD1 LEU 30 11.575 14.210 10.296 222 HD21 LEU 30 3HD2 LEU 30 11.195 15.159 7.399 223 HD22 LEU 30 1HD2 LEU 30 11.560 13.628 6.604 224 HD23 LEU 30 2HD2 LEU 30 12.565 14.189 7.939 225 H PHE 31 H PHE 31 13.555 10.234 7.594 226 HA PHE 31 HA PHE 31 13.003 7.455 7.598 227 HB2 PHE 31 1HB PHE 31 15.169 8.412 6.860 228 HB3 PHE 31 2HB PHE 31 15.514 8.870 8.525 229 HD1 PHE 31 HD2 PHE 31 15.021 6.009 6.252 230 HD2 PHE 31 HD1 PHE 31 16.358 7.297 10.080 231 HE1 PHE 31 HE2 PHE 31 16.014 3.795 6.649 232 HE2 PHE 31 HE1 PHE 31 17.351 5.083 10.483 233 HZ PHE 31 HZ PHE 31 17.179 3.327 8.765 234 H ASN 32 H ASN 32 12.723 6.029 9.216 235 HA ASN 32 HA ASN 32 12.362 5.159 11.278 236 HB2 ASN 32 1HB ASN 32 14.672 6.183 11.706 237 HB3 ASN 32 2HB ASN 32 13.824 7.512 12.486 238 HD21 ASN 32 2HD2 ASN 32 12.991 7.231 14.510 239 HD22 ASN 32 1HD2 ASN 32 13.224 5.800 15.449 240 H GLU 33 H GLU 33 10.725 7.403 10.009 241 HA GLU 33 HA GLU 33 9.267 8.314 12.374 242 HB2 GLU 33 1HB GLU 33 9.559 10.020 10.720 243 HB3 GLU 33 2HB GLU 33 9.003 8.961 9.435 244 HG2 GLU 33 1HG GLU 33 6.756 8.960 10.440 245 HG3 GLU 33 2HG GLU 33 7.332 10.076 11.676 246 H ALA 34 H ALA 34 7.508 7.308 13.101 247 HA ALA 34 HA ALA 34 6.586 4.922 11.768 248 HB1 ALA 34 3HB ALA 34 6.790 4.999 14.211 249 HB2 ALA 34 1HB ALA 34 5.138 4.641 13.707 250 HB3 ALA 34 2HB ALA 34 5.558 6.258 14.270 251 H TYR 35 H TYR 35 5.079 4.913 10.248 252 HA TYR 35 HA TYR 35 3.312 7.259 10.055 253 HB2 TYR 35 1HB TYR 35 3.195 6.774 7.636 254 HB3 TYR 35 2HB TYR 35 4.837 7.092 8.177 255 HD1 TYR 35 HD2 TYR 35 2.502 4.471 7.049 256 HD2 TYR 35 HD1 TYR 35 6.539 5.406 8.016 257 HE1 TYR 35 HE2 TYR 35 3.230 2.369 6.017 258 HE2 TYR 35 HE1 TYR 35 7.276 3.300 6.983 259 HH TYR 35 HH TYR 35 6.287 1.056 6.446 260 H ASN 36 H ASN 36 1.384 6.598 8.479 261 HA ASN 36 HA ASN 36 0.193 4.093 9.461 262 HB2 ASN 36 1HB ASN 36 -1.116 6.800 9.146 263 HB3 ASN 36 2HB ASN 36 -2.028 5.305 9.326 264 HD21 ASN 36 2HD2 ASN 36 -0.031 7.652 10.897 265 HD22 ASN 36 1HD2 ASN 36 -0.290 7.090 12.515 266 H VAL 37 H VAL 37 -1.603 3.349 8.020 267 HA VAL 37 HA VAL 37 -1.000 4.000 5.216 268 HB VAL 37 HB VAL 37 -1.643 1.305 6.421 269 HG11 VAL 37 1HG1 VAL 37 -1.276 2.029 3.518 270 HG12 VAL 37 2HG1 VAL 37 -2.787 1.540 4.284 271 HG13 VAL 37 3HG1 VAL 37 -1.450 0.398 4.165 272 HG21 VAL 37 3HG2 VAL 37 0.665 1.978 6.715 273 HG22 VAL 37 1HG2 VAL 37 0.799 2.348 4.995 274 HG23 VAL 37 2HG2 VAL 37 0.559 0.683 5.522 275 HA PRO 38 HA PRO 38 -5.442 4.872 5.525 276 HB2 PRO 38 1HB PRO 38 -5.481 6.576 3.405 277 HB3 PRO 38 2HB PRO 38 -5.044 7.077 5.042 278 HG2 PRO 38 1HG PRO 38 -3.293 6.489 2.706 279 HG3 PRO 38 2HG PRO 38 -3.109 7.717 3.968 280 HD2 PRO 38 1HD PRO 38 -1.725 5.344 3.904 281 HD3 PRO 38 2HD PRO 38 -2.046 6.271 5.380 282 H MET 39 H MET 39 -6.224 2.921 4.891 283 HA MET 39 HA MET 39 -5.875 1.938 2.197 284 HB2 MET 39 1HB MET 39 -7.403 0.927 4.591 285 HB3 MET 39 2HB MET 39 -7.441 0.123 3.029 286 HG2 MET 39 1HG MET 39 -5.100 -0.324 3.119 287 HG3 MET 39 2HG MET 39 -4.911 0.682 4.553 288 HE1 MET 39 3HE MET 39 -5.668 0.023 6.947 289 HE2 MET 39 1HE MET 39 -6.648 -1.395 7.324 290 HE3 MET 39 2HE MET 39 -7.331 -0.078 6.368 291 H LYS 40 H LYS 40 -7.675 1.455 0.778 292 HA LYS 40 HA LYS 40 -9.910 3.349 1.117 293 HB2 LYS 40 1HB LYS 40 -8.517 2.511 -1.435 294 HB3 LYS 40 2HB LYS 40 -9.974 3.490 -1.373 295 HG2 LYS 40 1HG LYS 40 -8.716 5.196 -0.090 296 HG3 LYS 40 2HG LYS 40 -7.256 4.231 -0.318 297 HD2 LYS 40 1HD LYS 40 -7.436 4.458 -2.721 298 HD3 LYS 40 2HD LYS 40 -8.962 5.328 -2.550 299 HE2 LYS 40 1HE LYS 40 -7.276 6.953 -2.935 300 HE3 LYS 40 2HE LYS 40 -7.723 7.059 -1.235 301 HZ1 LYS 40 3HZ LYS 40 -5.278 5.851 -2.396 302 HZ2 LYS 40 1HZ LYS 40 -5.745 5.596 -0.784 303 HZ3 LYS 40 2HZ LYS 40 -5.389 7.163 -1.327 304 H LYS 41 H LYS 41 -11.859 2.676 -0.264 305 HA LYS 41 HA LYS 41 -12.060 -0.265 -0.270 306 HB2 LYS 41 1HB LYS 41 -13.318 0.872 1.611 307 HB3 LYS 41 2HB LYS 41 -14.344 1.596 0.379 308 HG2 LYS 41 1HG LYS 41 -14.962 -0.659 -0.395 309 HG3 LYS 41 2HG LYS 41 -13.994 -1.347 0.910 310 HD2 LYS 41 1HD LYS 41 -15.409 -0.085 2.527 311 HD3 LYS 41 2HD LYS 41 -16.433 0.402 1.173 312 HE2 LYS 41 1HE LYS 41 -16.814 -1.998 0.672 313 HE3 LYS 41 2HE LYS 41 -15.905 -2.410 2.128 314 HZ1 LYS 41 3HZ LYS 41 -18.214 -2.431 2.650 315 HZ2 LYS 41 1HZ LYS 41 -18.452 -0.896 1.972 316 HZ3 LYS 41 2HZ LYS 41 -17.540 -1.066 3.392 317 H ILE 42 H ILE 42 -12.575 -1.107 -2.154 318 HA ILE 42 HA ILE 42 -13.487 0.649 -4.311 319 HB ILE 42 HB ILE 42 -12.602 -2.236 -4.533 320 HG12 ILE 42 1HG1 ILE 42 -10.808 -0.910 -3.500 321 HG13 ILE 42 2HG1 ILE 42 -10.378 -1.402 -5.134 322 HG21 ILE 42 1HG2 ILE 42 -13.818 -1.412 -6.467 323 HG22 ILE 42 2HG2 ILE 42 -12.115 -1.634 -6.866 324 HG23 ILE 42 3HG2 ILE 42 -12.746 -0.015 -6.568 325 HD11 ILE 42 3HD1 ILE 42 -10.935 0.832 -5.950 326 HD12 ILE 42 1HD1 ILE 42 -9.701 0.887 -4.691 327 HD13 ILE 42 2HD1 ILE 42 -11.368 1.321 -4.311 328 H LYS 43 H LYS 43 -15.164 -0.336 -5.835 329 HA LYS 43 HA LYS 43 -17.564 -0.671 -4.471 330 HB2 LYS 43 1HB LYS 43 -17.014 -1.598 -7.290 331 HB3 LYS 43 2HB LYS 43 -18.577 -1.189 -6.603 332 HG2 LYS 43 1HG LYS 43 -17.735 1.151 -6.316 333 HG3 LYS 43 2HG LYS 43 -16.305 0.674 -7.237 334 HD2 LYS 43 1HD LYS 43 -17.857 -0.075 -9.067 335 HD3 LYS 43 2HD LYS 43 -19.175 0.672 -8.162 336 HE2 LYS 43 1HE LYS 43 -18.472 2.239 -9.803 337 HE3 LYS 43 2HE LYS 43 -17.879 2.819 -8.246 338 HZ1 LYS 43 3HZ LYS 43 -16.193 3.002 -9.972 339 HZ2 LYS 43 1HZ LYS 43 -16.275 1.330 -10.258 340 HZ3 LYS 43 2HZ LYS 43 -15.704 1.907 -8.771 341 H GLY 44 H GLY 44 -17.754 -2.332 -3.034 342 HA2 GLY 44 1HA GLY 44 -18.478 -4.460 -2.478 343 HA3 GLY 44 2HA GLY 44 -18.325 -4.916 -4.168 344 H TYR 45 H TYR 45 -15.683 -3.494 -2.387 345 HA TYR 45 HA TYR 45 -14.342 -6.112 -2.436 346 HB2 TYR 45 1HB TYR 45 -13.254 -3.335 -2.839 347 HB3 TYR 45 2HB TYR 45 -12.205 -4.674 -2.384 348 HD1 TYR 45 HD1 TYR 45 -14.669 -3.619 -4.971 349 HD2 TYR 45 HD2 TYR 45 -11.343 -6.096 -4.024 350 HE1 TYR 45 HE1 TYR 45 -14.500 -4.280 -7.331 351 HE2 TYR 45 HE2 TYR 45 -11.165 -6.765 -6.385 352 HH TYR 45 HH TYR 45 -12.764 -5.151 -8.885 353 H THR 46 H THR 46 -13.459 -6.901 -0.667 354 HA THR 46 HA THR 46 -13.593 -5.310 1.818 355 HB THR 46 HB THR 46 -13.844 -8.318 1.558 356 HG1 THR 46 HG1 THR 46 -15.624 -6.521 0.877 357 HG21 THR 46 3HG2 THR 46 -14.701 -8.207 3.847 358 HG22 THR 46 1HG2 THR 46 -14.459 -6.459 3.860 359 HG23 THR 46 2HG2 THR 46 -13.071 -7.541 3.750 360 H LEU 47 H LEU 47 -11.773 -5.553 3.253 361 HA LEU 47 HA LEU 47 -9.329 -6.196 1.908 362 HB2 LEU 47 1HB LEU 47 -9.590 -4.465 3.738 363 HB3 LEU 47 2HB LEU 47 -9.682 -5.800 4.873 364 HG LEU 47 HG LEU 47 -7.427 -6.539 4.102 365 HD11 LEU 47 1HD1 LEU 47 -6.053 -4.960 2.851 366 HD12 LEU 47 2HD1 LEU 47 -7.442 -3.888 2.667 367 HD13 LEU 47 3HD1 LEU 47 -7.450 -5.482 1.908 368 HD21 LEU 47 3HD2 LEU 47 -7.678 -5.242 6.143 369 HD22 LEU 47 1HD2 LEU 47 -7.605 -3.744 5.214 370 HD23 LEU 47 2HD2 LEU 47 -6.194 -4.800 5.296 371 H LEU 48 H LEU 48 -8.172 -8.031 1.922 372 HA LEU 48 HA LEU 48 -9.217 -10.380 3.222 373 HB2 LEU 48 1HB LEU 48 -8.100 -10.506 1.027 374 HB3 LEU 48 2HB LEU 48 -6.613 -9.924 1.749 375 HG LEU 48 HG LEU 48 -6.546 -11.976 3.159 376 HD11 LEU 48 1HD1 LEU 48 -8.932 -12.496 3.138 377 HD12 LEU 48 2HD1 LEU 48 -7.973 -13.861 2.563 378 HD13 LEU 48 3HD1 LEU 48 -8.844 -12.847 1.412 379 HD21 LEU 48 3HD2 LEU 48 -5.264 -11.830 1.092 380 HD22 LEU 48 1HD2 LEU 48 -6.650 -12.427 0.180 381 HD23 LEU 48 2HD2 LEU 48 -5.853 -13.472 1.354 382 H LYS 49 H LYS 49 -6.111 -8.709 3.328 383 HA LYS 49 HA LYS 49 -5.848 -8.029 5.925 384 HB2 LYS 49 1HB LYS 49 -6.166 -10.580 6.308 385 HB3 LYS 49 2HB LYS 49 -4.529 -10.733 5.684 386 HG2 LYS 49 1HG LYS 49 -3.690 -9.308 7.463 387 HG3 LYS 49 2HG LYS 49 -5.330 -9.073 8.068 388 HD2 LYS 49 1HD LYS 49 -5.442 -11.582 8.360 389 HD3 LYS 49 2HD LYS 49 -3.706 -11.608 8.042 390 HE2 LYS 49 1HE LYS 49 -5.082 -10.088 10.255 391 HE3 LYS 49 2HE LYS 49 -4.180 -11.589 10.443 392 HZ1 LYS 49 3HZ LYS 49 -3.034 -9.022 9.488 393 HZ2 LYS 49 1HZ LYS 49 -2.177 -10.457 9.754 394 HZ3 LYS 49 2HZ LYS 49 -2.879 -9.628 11.056 395 H TYR 50 H TYR 50 -3.572 -7.565 6.496 396 HA TYR 50 HA TYR 50 -1.784 -7.666 4.161 397 HB2 TYR 50 1HB TYR 50 -0.654 -5.673 5.481 398 HB3 TYR 50 2HB TYR 50 -2.034 -5.384 4.431 399 HD1 TYR 50 HD2 TYR 50 -1.308 -6.224 8.008 400 HD2 TYR 50 HD1 TYR 50 -3.762 -4.122 5.244 401 HE1 TYR 50 HE2 TYR 50 -2.531 -5.203 9.879 402 HE2 TYR 50 HE1 TYR 50 -4.986 -3.093 7.101 403 HH TYR 50 HH TYR 50 -5.471 -3.455 9.413 404 H ASP 51 H ASP 51 0.262 -8.442 4.441 405 HA ASP 51 HA ASP 51 0.775 -10.002 6.791 406 HB2 ASP 51 1HB ASP 51 2.458 -9.356 4.366 407 HB3 ASP 51 2HB ASP 51 3.044 -10.355 5.691 408 H SER 52 H SER 52 2.453 -7.252 5.309 409 HA SER 52 HA SER 52 4.233 -6.818 7.439 410 HB2 SER 52 1HB SER 52 3.278 -4.811 5.384 411 HB3 SER 52 2HB SER 52 4.782 -4.750 6.301 412 HG SER 52 HG SER 52 5.126 -6.944 5.248 413 H GLU 53 H GLU 53 4.060 -5.708 9.286 414 HA GLU 53 HA GLU 53 1.588 -4.825 10.291 415 HB2 GLU 53 1HB GLU 53 4.408 -4.214 11.195 416 HB3 GLU 53 2HB GLU 53 2.967 -3.778 12.103 417 HG2 GLU 53 1HG GLU 53 2.369 -6.118 12.330 418 HG3 GLU 53 2HG GLU 53 3.764 -6.583 11.359 419 H ILE 54 H ILE 54 0.499 -3.030 9.949 420 HA ILE 54 HA ILE 54 1.258 -1.103 8.078 421 HB ILE 54 HB ILE 54 -0.897 -1.015 10.189 422 HG12 ILE 54 1HG1 ILE 54 -1.176 -2.811 8.584 423 HG13 ILE 54 2HG1 ILE 54 -2.377 -1.559 8.286 424 HG21 ILE 54 1HG2 ILE 54 -1.932 0.771 8.903 425 HG22 ILE 54 2HG2 ILE 54 -0.550 0.790 7.809 426 HG23 ILE 54 3HG2 ILE 54 -0.343 1.255 9.499 427 HD11 ILE 54 3HD1 ILE 54 0.168 -1.970 6.734 428 HD12 ILE 54 1HD1 ILE 54 -1.035 -0.717 6.431 429 HD13 ILE 54 2HD1 ILE 54 -1.456 -2.414 6.211 430 H LEU 55 H LEU 55 1.477 -1.084 11.597 431 HA LEU 55 HA LEU 55 2.449 1.623 11.667 432 HB2 LEU 55 1HB LEU 55 2.389 -0.517 13.797 433 HB3 LEU 55 2HB LEU 55 2.903 1.138 14.064 434 HG LEU 55 HG LEU 55 0.131 0.246 13.261 435 HD11 LEU 55 1HD1 LEU 55 0.647 -0.251 15.576 436 HD12 LEU 55 2HD1 LEU 55 -0.492 1.092 15.478 437 HD13 LEU 55 3HD1 LEU 55 1.208 1.402 15.826 438 HD21 LEU 55 3HD2 LEU 55 1.196 3.012 13.829 439 HD22 LEU 55 1HD2 LEU 55 -0.493 2.593 13.538 440 HD23 LEU 55 2HD2 LEU 55 0.698 2.396 12.253 441 H GLY 56 H GLY 56 4.242 1.713 10.400 442 HA2 GLY 56 1HA GLY 56 6.624 0.421 11.535 443 HA3 GLY 56 2HA GLY 56 6.314 0.292 9.807 444 H VAL 57 H VAL 57 8.625 1.358 10.290 445 HA VAL 57 HA VAL 57 8.265 4.275 10.294 446 HB VAL 57 HB VAL 57 10.672 4.433 10.812 447 HG11 VAL 57 1HG1 VAL 57 10.549 3.626 13.128 448 HG12 VAL 57 2HG1 VAL 57 9.111 2.690 12.715 449 HG13 VAL 57 3HG1 VAL 57 9.069 4.451 12.636 450 HG21 VAL 57 3HG2 VAL 57 11.916 2.425 11.489 451 HG22 VAL 57 1HG2 VAL 57 11.444 2.363 9.791 452 HG23 VAL 57 2HG2 VAL 57 10.553 1.422 10.990 453 H PHE 58 H PHE 58 9.350 5.540 8.719 454 HA PHE 58 HA PHE 58 9.499 4.445 6.129 455 HB2 PHE 58 1HB PHE 58 10.572 7.035 7.242 456 HB3 PHE 58 2HB PHE 58 10.656 6.610 5.537 457 HD1 PHE 58 HD2 PHE 58 8.627 6.486 4.190 458 HD2 PHE 58 HD1 PHE 58 8.511 7.705 8.260 459 HE1 PHE 58 HE2 PHE 58 6.374 7.413 3.845 460 HE2 PHE 58 HE1 PHE 58 6.263 8.639 7.924 461 HZ PHE 58 HZ PHE 58 5.191 8.492 5.712 462 H THR 59 H THR 59 11.171 3.709 4.920 463 HA THR 59 HA THR 59 13.691 3.249 6.362 464 HB THR 59 HB THR 59 13.861 1.191 4.871 465 HG1 THR 59 HG1 THR 59 12.247 1.672 3.358 466 HG21 THR 59 3HG2 THR 59 12.399 -0.152 6.319 467 HG22 THR 59 1HG2 THR 59 11.618 1.323 6.888 468 HG23 THR 59 2HG2 THR 59 13.321 1.033 7.245 469 H GLU 60 H GLU 60 15.585 2.937 4.996 470 HA GLU 60 HA GLU 60 16.142 5.011 3.261 471 HB2 GLU 60 1HB GLU 60 17.384 2.255 3.339 472 HB3 GLU 60 2HB GLU 60 18.097 3.657 2.556 473 HG2 GLU 60 1HG GLU 60 17.410 3.780 5.453 474 HG3 GLU 60 2HG GLU 60 18.864 2.932 4.930 475 H SER 61 H SER 61 15.390 1.659 2.440 476 HA SER 61 HA SER 61 15.216 2.291 -0.380 477 HB2 SER 61 1HB SER 61 14.803 -0.135 -0.644 478 HB3 SER 61 2HB SER 61 16.253 0.181 0.307 479 HG SER 61 HG SER 61 14.958 -0.167 2.201 480 HA PRO 62 HA PRO 62 10.841 2.980 -0.737 481 HB2 PRO 62 1HB PRO 62 10.947 0.959 -2.926 482 HB3 PRO 62 2HB PRO 62 10.287 2.599 -2.939 483 HG2 PRO 62 1HG PRO 62 12.615 2.073 -4.111 484 HG3 PRO 62 2HG PRO 62 12.372 3.580 -3.206 485 HD2 PRO 62 1HD PRO 62 13.863 1.114 -2.421 486 HD3 PRO 62 2HD PRO 62 14.235 2.816 -2.079 487 H GLN 63 H GLN 63 9.606 2.138 0.801 488 HA GLN 63 HA GLN 63 9.596 -0.726 1.305 489 HB2 GLN 63 1HB GLN 63 9.772 1.053 3.116 490 HB3 GLN 63 2HB GLN 63 8.086 1.426 2.790 491 HG2 GLN 63 1HG GLN 63 7.408 -0.767 3.468 492 HG3 GLN 63 2HG GLN 63 9.087 -1.283 3.626 493 HE21 GLN 63 2HE2 GLN 63 9.900 1.276 4.807 494 HE22 GLN 63 1HE2 GLN 63 9.305 1.262 6.433 495 H THR 64 H THR 64 8.138 -2.008 0.374 496 HA THR 64 HA THR 64 5.818 -0.755 -0.905 497 HB THR 64 HB THR 64 6.801 -3.578 -1.315 498 HG1 THR 64 HG1 THR 64 8.494 -2.648 -2.191 499 HG21 THR 64 3HG2 THR 64 5.165 -1.718 -3.047 500 HG22 THR 64 1HG2 THR 64 4.539 -3.085 -2.125 501 HG23 THR 64 2HG2 THR 64 5.649 -3.361 -3.467 502 H ILE 65 H ILE 65 3.969 -0.815 0.201 503 HA ILE 65 HA ILE 65 3.437 -3.123 1.947 504 HB ILE 65 HB ILE 65 2.002 -0.459 1.872 505 HG12 ILE 65 1HG1 ILE 65 3.990 -1.543 3.884 506 HG13 ILE 65 2HG1 ILE 65 4.339 -0.303 2.684 507 HG21 ILE 65 1HG2 ILE 65 0.960 -1.211 3.971 508 HG22 ILE 65 2HG2 ILE 65 1.778 -2.766 3.817 509 HG23 ILE 65 3HG2 ILE 65 0.565 -2.288 2.630 510 HD11 ILE 65 3HD1 ILE 65 3.948 0.670 4.864 511 HD12 ILE 65 1HD1 ILE 65 2.354 -0.080 4.929 512 HD13 ILE 65 2HD1 ILE 65 2.694 1.162 3.724 513 H ASN 66 H ASN 66 2.393 -4.663 0.921 514 HA ASN 66 HA ASN 66 0.669 -4.014 -1.325 515 HB2 ASN 66 1HB ASN 66 1.766 -6.620 -0.268 516 HB3 ASN 66 2HB ASN 66 0.615 -6.532 -1.599 517 HD21 ASN 66 2HD2 ASN 66 3.423 -7.459 -1.473 518 HD22 ASN 66 1HD2 ASN 66 4.248 -6.557 -2.709 519 H ILE 67 H ILE 67 -1.247 -3.319 -0.641 520 HA ILE 67 HA ILE 67 -2.656 -4.736 1.491 521 HB ILE 67 HB ILE 67 -3.444 -2.244 -0.037 522 HG12 ILE 67 1HG1 ILE 67 -1.427 -1.920 1.347 523 HG13 ILE 67 2HG1 ILE 67 -2.800 -1.012 1.972 524 HG21 ILE 67 1HG2 ILE 67 -4.629 -3.481 2.440 525 HG22 ILE 67 2HG2 ILE 67 -5.373 -3.423 0.843 526 HG23 ILE 67 3HG2 ILE 67 -5.099 -1.931 1.743 527 HD11 ILE 67 3HD1 ILE 67 -1.535 -2.034 3.769 528 HD12 ILE 67 1HD1 ILE 67 -1.769 -3.627 3.050 529 HD13 ILE 67 2HD1 ILE 67 -3.153 -2.730 3.674 530 H ILE 68 H ILE 68 -3.659 -6.529 0.800 531 HA ILE 68 HA ILE 68 -4.603 -6.625 -1.973 532 HB ILE 68 HB ILE 68 -4.171 -8.878 -0.001 533 HG12 ILE 68 1HG1 ILE 68 -2.551 -8.053 -2.421 534 HG13 ILE 68 2HG1 ILE 68 -2.103 -7.715 -0.752 535 HG21 ILE 68 1HG2 ILE 68 -4.465 -10.358 -1.924 536 HG22 ILE 68 2HG2 ILE 68 -4.814 -8.968 -2.949 537 HG23 ILE 68 3HG2 ILE 68 -5.915 -9.395 -1.639 538 HD11 ILE 68 3HD1 ILE 68 -2.406 -10.447 -1.971 539 HD12 ILE 68 1HD1 ILE 68 -1.928 -10.099 -0.310 540 HD13 ILE 68 2HD1 ILE 68 -0.885 -9.615 -1.648 541 H TYR 69 H TYR 69 -6.668 -6.602 -2.462 542 HA TYR 69 HA TYR 69 -8.629 -6.824 -0.283 543 HB2 TYR 69 1HB TYR 69 -8.823 -5.476 -2.984 544 HB3 TYR 69 2HB TYR 69 -10.155 -5.603 -1.838 545 HD1 TYR 69 HD1 TYR 69 -6.962 -3.974 -2.572 546 HD2 TYR 69 HD2 TYR 69 -10.172 -4.287 0.200 547 HE1 TYR 69 HE1 TYR 69 -6.196 -1.921 -1.463 548 HE2 TYR 69 HE2 TYR 69 -9.417 -2.230 1.316 549 HH TYR 69 HH TYR 69 -7.411 -0.920 1.574 550 H GLN 70 H GLN 70 -10.401 -8.111 -0.463 551 HA GLN 70 HA GLN 70 -10.406 -10.015 -2.701 552 HB2 GLN 70 1HB GLN 70 -11.678 -11.519 -1.200 553 HB3 GLN 70 2HB GLN 70 -10.082 -11.135 -0.572 554 HG2 GLN 70 1HG GLN 70 -11.068 -9.503 0.947 555 HG3 GLN 70 2HG GLN 70 -12.669 -9.874 0.310 556 HE21 GLN 70 2HE2 GLN 70 -11.574 -10.124 3.024 557 HE22 GLN 70 1HE2 GLN 70 -11.813 -11.783 3.470 558 H LYS 71 H LYS 71 -12.529 -10.674 -3.457 559 HA LYS 71 HA LYS 71 -14.247 -8.326 -3.653 560 HB2 LYS 71 1HB LYS 71 -14.218 -10.904 -5.244 561 HB3 LYS 71 2HB LYS 71 -15.167 -9.467 -5.623 562 HG2 LYS 71 1HG LYS 71 -13.364 -8.290 -6.354 563 HG3 LYS 71 2HG LYS 71 -12.240 -9.154 -5.311 564 HD2 LYS 71 1HD LYS 71 -12.532 -11.149 -6.798 565 HD3 LYS 71 2HD LYS 71 -13.460 -10.117 -7.892 566 HE2 LYS 71 1HE LYS 71 -11.555 -8.631 -8.143 567 HE3 LYS 71 2HE LYS 71 -10.631 -9.589 -6.989 568 HZ1 LYS 71 3HZ LYS 71 -10.697 -11.448 -8.523 569 HZ2 LYS 71 1HZ LYS 71 -10.017 -10.084 -9.264 570 HZ3 LYS 71 2HZ LYS 71 -11.609 -10.537 -9.629 571 H LYS 72 H LYS 72 -16.530 -8.446 -3.317 572 HA LYS 72 HA LYS 72 -17.253 -10.358 -1.271 573 HB2 LYS 72 1HB LYS 72 -18.863 -8.135 -2.538 574 HB3 LYS 72 2HB LYS 72 -19.411 -9.134 -1.198 575 HG2 LYS 72 1HG LYS 72 -17.148 -8.287 -0.120 576 HG3 LYS 72 2HG LYS 72 -17.404 -6.954 -1.247 577 HD2 LYS 72 1HD LYS 72 -19.341 -7.924 0.851 578 HD3 LYS 72 2HD LYS 72 -18.390 -6.440 0.910 579 HE2 LYS 72 1HE LYS 72 -19.593 -5.519 -0.940 580 HE3 LYS 72 2HE LYS 72 -20.418 -7.051 -1.232 581 HZ1 LYS 72 3HZ LYS 72 -20.711 -5.391 1.217 582 HZ2 LYS 72 1HZ LYS 72 -21.530 -6.839 0.885 583 HZ3 LYS 72 2HZ LYS 72 -21.828 -5.462 -0.055 584 H ALA 73 H ALA 73 -16.706 -11.821 -3.327 585 HA ALA 73 HA ALA 73 -19.301 -12.985 -3.971 586 HB1 ALA 73 3HB ALA 73 -18.670 -11.728 -5.983 587 HB2 ALA 73 1HB ALA 73 -18.666 -13.467 -6.277 588 HB3 ALA 73 2HB ALA 73 -17.142 -12.607 -6.051 589 HA PRO 74 HA PRO 74 -15.818 -16.342 -3.662 590 HB2 PRO 74 1HB PRO 74 -13.419 -14.814 -2.944 591 HB3 PRO 74 2HB PRO 74 -13.608 -16.087 -4.153 592 HG2 PRO 74 1HG PRO 74 -13.211 -13.511 -4.832 593 HG3 PRO 74 2HG PRO 74 -14.205 -14.607 -5.811 594 HD2 PRO 74 1HD PRO 74 -15.057 -12.506 -3.855 595 HD3 PRO 74 2HD PRO 74 -15.743 -12.912 -5.443 596 H GLU 75 H GLU 75 -16.661 -16.984 -1.765 597 HA GLU 75 HA GLU 75 -16.649 -15.290 0.548 598 HB2 GLU 75 1HB GLU 75 -18.518 -16.825 -0.024 599 HB3 GLU 75 2HB GLU 75 -17.461 -18.189 0.308 600 HG2 GLU 75 1HG GLU 75 -17.312 -17.603 2.615 601 HG3 GLU 75 2HG GLU 75 -18.166 -16.084 2.335 602 H GLN 76 H GLN 76 -15.210 -15.222 2.131 603 HA GLN 76 HA GLN 76 -12.804 -16.770 1.929 604 HB2 GLN 76 1HB GLN 76 -13.113 -14.303 2.717 605 HB3 GLN 76 2HB GLN 76 -13.497 -15.026 4.274 606 HG2 GLN 76 1HG GLN 76 -11.299 -16.234 4.132 607 HG3 GLN 76 2HG GLN 76 -10.928 -15.231 2.731 608 HE21 GLN 76 2HE2 GLN 76 -9.502 -15.352 5.187 609 HE22 GLN 76 1HE2 GLN 76 -9.573 -13.780 5.902 610 H ALA 77 H ALA 77 -12.399 -18.646 2.895 611 HA ALA 77 HA ALA 77 -14.381 -19.890 4.544 612 HB1 ALA 77 3HB ALA 77 -13.048 -21.167 2.944 613 HB2 ALA 77 1HB ALA 77 -12.867 -21.796 4.581 614 HB3 ALA 77 2HB ALA 77 -11.591 -20.808 3.871 615 H LEU 78 H LEU 78 -11.390 -18.196 5.131 616 HA LEU 78 HA LEU 78 -11.344 -19.082 7.905 617 HB2 LEU 78 1HB LEU 78 -9.411 -17.390 6.328 618 HB3 LEU 78 2HB LEU 78 -9.218 -17.776 8.028 619 HG LEU 78 HG LEU 78 -9.234 -19.759 5.749 620 HD11 LEU 78 1HD1 LEU 78 -7.196 -18.432 5.851 621 HD12 LEU 78 2HD1 LEU 78 -6.890 -20.098 6.346 622 HD13 LEU 78 3HD1 LEU 78 -7.013 -18.825 7.560 623 HD21 LEU 78 3HD2 LEU 78 -10.239 -20.713 7.749 624 HD22 LEU 78 1HD2 LEU 78 -8.857 -20.187 8.712 625 HD23 LEU 78 2HD2 LEU 78 -8.645 -21.412 7.462 626 H GLU 79 H GLU 79 -13.015 -18.090 8.860 627 HA GLU 79 HA GLU 79 -13.732 -15.385 8.639 628 HB2 GLU 79 1HB GLU 79 -15.034 -17.364 9.638 629 HB3 GLU 79 2HB GLU 79 -14.096 -17.103 11.098 630 HG2 GLU 79 1HG GLU 79 -15.566 -14.792 9.953 631 HG3 GLU 79 2HG GLU 79 -16.493 -16.056 10.757 632 H HIS 80 H HIS 80 -12.883 -13.575 9.524 633 HA HIS 80 HA HIS 80 -10.240 -13.581 10.471 634 HB2 HIS 80 1HB HIS 80 -12.349 -11.421 10.545 635 HB3 HIS 80 2HB HIS 80 -10.682 -11.156 11.033 636 HD1 HIS 80 HD1 HIS 80 -12.630 -10.273 8.375 637 HD2 HIS 80 HD2 HIS 80 -9.026 -12.348 8.577 638 HE1 HIS 80 HE1 HIS 80 -11.559 -10.001 6.115 639 HE2 HIS 80 HE2 HIS 80 -9.272 -11.024 6.362 640 H HIS 81 H HIS 81 -13.176 -13.990 12.100 641 HA HIS 81 HA HIS 81 -13.640 -14.695 14.163 642 HB2 HIS 81 1HB HIS 81 -10.679 -14.483 14.561 643 HB3 HIS 81 2HB HIS 81 -11.756 -14.798 15.921 644 HD1 HIS 81 HD1 HIS 81 -13.636 -16.520 13.748 645 HD2 HIS 81 HD2 HIS 81 -9.707 -17.162 14.979 646 HE1 HIS 81 HE1 HIS 81 -13.182 -18.964 13.341 647 HE2 HIS 81 HE2 HIS 81 -10.799 -19.337 14.080 648 H HIS 82 H HIS 82 -14.820 -12.729 13.939 649 HA HIS 82 HA HIS 82 -14.061 -10.714 15.928 650 HB2 HIS 82 1HB HIS 82 -16.422 -10.911 14.038 651 HB3 HIS 82 2HB HIS 82 -16.247 -9.641 15.244 652 HD1 HIS 82 HD1 HIS 82 -15.018 -7.603 14.520 653 HD2 HIS 82 HD2 HIS 82 -14.239 -10.863 12.058 654 HE1 HIS 82 HE1 HIS 82 -13.641 -6.703 12.618 655 HE2 HIS 82 HE2 HIS 82 -12.988 -8.734 11.276 656 H HIS 83 H HIS 83 -15.396 -13.686 15.775 657 HA HIS 83 HA HIS 83 -16.799 -13.361 18.331 658 HB2 HIS 83 1HB HIS 83 -17.790 -14.931 15.936 659 HB3 HIS 83 2HB HIS 83 -18.439 -15.115 17.560 660 HD1 HIS 83 HD1 HIS 83 -20.356 -13.647 18.136 661 HD2 HIS 83 HD2 HIS 83 -18.187 -12.195 14.894 662 HE1 HIS 83 HE1 HIS 83 -21.637 -11.647 17.298 663 HE2 HIS 83 HE2 HIS 83 -20.213 -10.688 15.450 664 H HIS 84 H HIS 84 -16.435 -15.015 19.771 665 HA HIS 84 HA HIS 84 -14.501 -17.061 18.950 666 HB2 HIS 84 1HB HIS 84 -15.457 -16.135 21.662 667 HB3 HIS 84 2HB HIS 84 -14.471 -17.576 21.449 668 HD1 HIS 84 HD1 HIS 84 -14.222 -14.002 21.977 669 HD2 HIS 84 HD2 HIS 84 -11.868 -16.942 20.210 670 HE1 HIS 84 HE1 HIS 84 -11.907 -13.032 21.841 671 HE2 HIS 84 HE2 HIS 84 -10.465 -14.904 20.967 672 H HIS 85 H HIS 85 -17.614 -16.702 20.545 673 HA HIS 85 HA HIS 85 -18.741 -18.930 19.202 674 HB2 HIS 85 1HB HIS 85 -17.502 -20.179 20.933 675 HB3 HIS 85 2HB HIS 85 -18.283 -19.219 22.186 676 HD1 HIS 85 HD1 HIS 85 -19.198 -21.688 19.453 677 HD2 HIS 85 HD2 HIS 85 -20.650 -20.242 23.075 678 HE1 HIS 85 HE1 HIS 85 -21.213 -23.099 19.994 679 HE2 HIS 85 HE2 HIS 85 -22.198 -22.055 22.065 Start of MODEL 9 1 H1 MET 1 1H MET 1 28.428 10.207 -6.537 2 H2 MET 1 2H MET 1 29.911 9.742 -5.857 3 H3 MET 1 3H MET 1 28.508 9.746 -4.909 4 HA MET 1 HA MET 1 28.979 8.009 -7.253 5 HB2 MET 1 1HB MET 1 29.080 7.419 -4.290 6 HB3 MET 1 2HB MET 1 29.028 6.177 -5.534 7 HG2 MET 1 1HG MET 1 31.134 7.034 -6.456 8 HG3 MET 1 2HG MET 1 31.189 8.242 -5.175 9 HE1 MET 1 3HE MET 1 31.542 7.679 -2.615 10 HE2 MET 1 1HE MET 1 31.651 6.038 -1.978 11 HE3 MET 1 2HE MET 1 30.131 6.622 -2.656 12 H ASP 2 H ASP 2 27.030 8.131 -4.240 13 HA ASP 2 HA ASP 2 24.583 7.962 -5.765 14 HB2 ASP 2 1HB ASP 2 25.222 5.615 -5.783 15 HB3 ASP 2 2HB ASP 2 25.474 5.638 -4.040 16 H PHE 3 H PHE 3 22.703 8.267 -4.481 17 HA PHE 3 HA PHE 3 23.226 9.841 -2.109 18 HB2 PHE 3 1HB PHE 3 21.626 10.662 -3.768 19 HB3 PHE 3 2HB PHE 3 20.647 9.214 -3.569 20 HD1 PHE 3 HD1 PHE 3 21.891 12.214 -1.773 21 HD2 PHE 3 HD2 PHE 3 18.974 9.118 -1.946 22 HE1 PHE 3 HE1 PHE 3 20.602 13.334 -0.002 23 HE2 PHE 3 HE2 PHE 3 17.680 10.235 -0.175 24 HZ PHE 3 HZ PHE 3 18.495 12.346 0.799 25 H GLY 4 H GLY 4 21.855 6.724 -2.932 26 HA2 GLY 4 1HA GLY 4 22.058 5.077 -1.065 27 HA3 GLY 4 2HA GLY 4 21.264 6.289 -0.071 28 H LYS 5 H LYS 5 19.188 5.900 0.272 29 HA LYS 5 HA LYS 5 17.608 4.615 -1.860 30 HB2 LYS 5 1HB LYS 5 17.119 4.023 1.045 31 HB3 LYS 5 2HB LYS 5 16.623 3.099 -0.363 32 HG2 LYS 5 1HG LYS 5 18.838 2.274 -0.690 33 HG3 LYS 5 2HG LYS 5 19.481 3.368 0.536 34 HD2 LYS 5 1HD LYS 5 17.915 2.197 2.168 35 HD3 LYS 5 2HD LYS 5 17.705 0.971 0.916 36 HE2 LYS 5 1HE LYS 5 19.424 0.309 2.514 37 HE3 LYS 5 2HE LYS 5 20.113 0.561 0.911 38 HZ1 LYS 5 3HZ LYS 5 21.429 1.518 2.777 39 HZ2 LYS 5 1HZ LYS 5 20.168 2.615 3.061 40 HZ3 LYS 5 2HZ LYS 5 21.006 2.641 1.581 41 HA PRO 6 HA PRO 6 14.987 8.109 -0.831 42 HB2 PRO 6 1HB PRO 6 13.030 7.128 -2.702 43 HB3 PRO 6 2HB PRO 6 14.151 8.473 -2.900 44 HG2 PRO 6 1HG PRO 6 14.288 6.130 -4.328 45 HG3 PRO 6 2HG PRO 6 15.667 7.203 -4.038 46 HD2 PRO 6 1HD PRO 6 14.918 4.660 -2.651 47 HD3 PRO 6 2HD PRO 6 16.525 5.263 -3.113 48 H ASN 7 H ASN 7 13.719 8.198 0.923 49 HA ASN 7 HA ASN 7 12.376 5.842 1.857 50 HB2 ASN 7 1HB ASN 7 11.773 7.156 3.831 51 HB3 ASN 7 2HB ASN 7 13.481 7.319 3.460 52 HD21 ASN 7 2HD2 ASN 7 11.610 9.007 4.984 53 HD22 ASN 7 1HD2 ASN 7 11.727 10.584 4.286 54 H GLN 8 H GLN 8 10.986 5.658 -0.040 55 HA GLN 8 HA GLN 8 8.480 7.146 0.401 56 HB2 GLN 8 1HB GLN 8 9.450 6.064 -2.251 57 HB3 GLN 8 2HB GLN 8 7.983 6.988 -1.969 58 HG2 GLN 8 1HG GLN 8 9.393 8.904 -1.264 59 HG3 GLN 8 2HG GLN 8 10.816 7.969 -1.726 60 HE21 GLN 8 2HE2 GLN 8 9.919 10.494 -2.779 61 HE22 GLN 8 1HE2 GLN 8 9.642 10.255 -4.478 62 H VAL 9 H VAL 9 6.963 5.852 1.179 63 HA VAL 9 HA VAL 9 7.271 2.973 0.939 64 HB VAL 9 HB VAL 9 5.190 4.594 2.426 65 HG11 VAL 9 1HG1 VAL 9 4.679 2.500 3.595 66 HG12 VAL 9 2HG1 VAL 9 5.812 1.644 2.549 67 HG13 VAL 9 3HG1 VAL 9 4.359 2.372 1.865 68 HG21 VAL 9 3HG2 VAL 9 7.437 4.927 3.309 69 HG22 VAL 9 1HG2 VAL 9 7.661 3.181 3.423 70 HG23 VAL 9 2HG2 VAL 9 6.455 3.983 4.431 71 H THR 10 H THR 10 6.332 1.830 -0.578 72 HA THR 10 HA THR 10 4.450 3.129 -2.378 73 HB THR 10 HB THR 10 5.709 0.391 -2.642 74 HG1 THR 10 HG1 THR 10 6.949 2.708 -2.644 75 HG21 THR 10 3HG2 THR 10 4.527 2.273 -4.690 76 HG22 THR 10 1HG2 THR 10 3.778 0.791 -4.096 77 HG23 THR 10 2HG2 THR 10 5.272 0.711 -5.031 78 H VAL 11 H VAL 11 2.460 3.084 -1.442 79 HA VAL 11 HA VAL 11 1.438 0.596 -0.313 80 HB VAL 11 HB VAL 11 0.087 3.291 -0.562 81 HG11 VAL 11 1HG1 VAL 11 -0.672 0.857 1.049 82 HG12 VAL 11 2HG1 VAL 11 -1.505 1.455 -0.386 83 HG13 VAL 11 3HG1 VAL 11 -1.492 2.417 1.092 84 HG21 VAL 11 3HG2 VAL 11 0.568 3.539 1.835 85 HG22 VAL 11 1HG2 VAL 11 2.042 3.434 0.872 86 HG23 VAL 11 2HG2 VAL 11 1.490 2.036 1.794 87 H ASN 12 H ASN 12 0.490 -0.838 -1.592 88 HA ASN 12 HA ASN 12 -0.936 0.139 -3.980 89 HB2 ASN 12 1HB ASN 12 0.994 -2.135 -3.677 90 HB3 ASN 12 2HB ASN 12 -0.293 -2.254 -4.869 91 HD21 ASN 12 2HD2 ASN 12 1.011 0.868 -4.150 92 HD22 ASN 12 1HD2 ASN 12 1.928 1.050 -5.607 93 H TYR 13 H TYR 13 -2.930 -0.673 -4.343 94 HA TYR 13 HA TYR 13 -3.997 -2.495 -2.296 95 HB2 TYR 13 1HB TYR 13 -5.471 -0.583 -4.128 96 HB3 TYR 13 2HB TYR 13 -6.210 -1.594 -2.893 97 HD1 TYR 13 HD2 TYR 13 -4.091 1.355 -3.493 98 HD2 TYR 13 HD1 TYR 13 -6.136 -0.966 -0.573 99 HE1 TYR 13 HE2 TYR 13 -3.798 3.166 -1.858 100 HE2 TYR 13 HE1 TYR 13 -5.852 0.842 1.070 101 HH TYR 13 HH TYR 13 -4.502 2.756 1.497 102 H LEU 14 H LEU 14 -4.215 -4.543 -2.946 103 HA LEU 14 HA LEU 14 -4.383 -5.065 -5.824 104 HB2 LEU 14 1HB LEU 14 -3.794 -6.968 -3.558 105 HB3 LEU 14 2HB LEU 14 -3.733 -7.355 -5.267 106 HG LEU 14 HG LEU 14 -1.905 -5.478 -3.768 107 HD11 LEU 14 1HD1 LEU 14 -1.418 -8.101 -5.169 108 HD12 LEU 14 2HD1 LEU 14 -1.391 -7.817 -3.428 109 HD13 LEU 14 3HD1 LEU 14 -0.173 -7.071 -4.463 110 HD21 LEU 14 3HD2 LEU 14 -2.384 -4.564 -5.974 111 HD22 LEU 14 1HD2 LEU 14 -1.978 -6.112 -6.716 112 HD23 LEU 14 2HD2 LEU 14 -0.731 -5.175 -5.891 113 H ASP 15 H ASP 15 -5.789 -6.677 -6.629 114 HA ASP 15 HA ASP 15 -8.440 -6.541 -5.451 115 HB2 ASP 15 1HB ASP 15 -9.202 -7.427 -7.585 116 HB3 ASP 15 2HB ASP 15 -8.061 -6.119 -7.880 117 H GLU 16 H GLU 16 -6.044 -8.896 -6.354 118 HA GLU 16 HA GLU 16 -6.090 -10.747 -4.447 119 HB2 GLU 16 1HB GLU 16 -8.625 -10.951 -4.975 120 HB3 GLU 16 2HB GLU 16 -8.115 -11.765 -6.450 121 HG2 GLU 16 1HG GLU 16 -6.769 -13.300 -4.895 122 HG3 GLU 16 2HG GLU 16 -7.775 -12.640 -3.608 123 H ASN 17 H ASN 17 -6.272 -10.063 -7.811 124 HA ASN 17 HA ASN 17 -4.570 -12.330 -8.566 125 HB2 ASN 17 1HB ASN 17 -5.980 -10.303 -10.324 126 HB3 ASN 17 2HB ASN 17 -5.159 -11.759 -10.868 127 HD21 ASN 17 2HD2 ASN 17 -8.011 -10.443 -9.401 128 HD22 ASN 17 1HD2 ASN 17 -8.949 -11.904 -9.452 129 H ASN 18 H ASN 18 -3.897 -9.665 -7.184 130 HA ASN 18 HA ASN 18 -2.127 -8.260 -7.064 131 HB2 ASN 18 1HB ASN 18 -1.122 -10.190 -9.100 132 HB3 ASN 18 2HB ASN 18 -0.270 -8.659 -8.921 133 HD21 ASN 18 2HD2 ASN 18 -1.092 -11.676 -7.428 134 HD22 ASN 18 1HD2 ASN 18 0.002 -11.544 -6.090 135 H THR 19 H THR 19 -4.495 -7.875 -8.836 136 HA THR 19 HA THR 19 -3.474 -5.950 -10.771 137 HB THR 19 HB THR 19 -6.371 -6.397 -10.042 138 HG1 THR 19 HG1 THR 19 -6.134 -8.346 -10.809 139 HG21 THR 19 3HG2 THR 19 -5.871 -4.452 -11.436 140 HG22 THR 19 1HG2 THR 19 -6.751 -5.670 -12.357 141 HG23 THR 19 2HG2 THR 19 -5.014 -5.482 -12.582 142 H SER 20 H SER 20 -2.958 -3.977 -10.072 143 HA SER 20 HA SER 20 -3.739 -3.000 -7.520 144 HB2 SER 20 1HB SER 20 -1.635 -2.440 -8.961 145 HB3 SER 20 2HB SER 20 -2.682 -1.238 -9.714 146 HG SER 20 HG SER 20 -2.899 -0.200 -7.776 147 H ILE 21 H ILE 21 -5.901 -2.791 -7.287 148 HA ILE 21 HA ILE 21 -7.639 -1.762 -9.294 149 HB ILE 21 HB ILE 21 -9.326 -1.646 -7.438 150 HG12 ILE 21 1HG1 ILE 21 -7.043 -2.799 -5.814 151 HG13 ILE 21 2HG1 ILE 21 -7.774 -1.214 -5.584 152 HG21 ILE 21 1HG2 ILE 21 -7.843 -4.247 -7.792 153 HG22 ILE 21 2HG2 ILE 21 -9.108 -3.610 -8.843 154 HG23 ILE 21 3HG2 ILE 21 -9.492 -4.080 -7.186 155 HD11 ILE 21 3HD1 ILE 21 -9.163 -3.857 -5.220 156 HD12 ILE 21 1HD1 ILE 21 -9.877 -2.265 -4.964 157 HD13 ILE 21 2HD1 ILE 21 -8.556 -2.815 -3.931 158 H ALA 22 H ALA 22 -5.690 -0.341 -6.873 159 HA ALA 22 HA ALA 22 -6.749 2.309 -7.600 160 HB1 ALA 22 3HB ALA 22 -7.293 1.789 -5.263 161 HB2 ALA 22 1HB ALA 22 -6.125 3.106 -5.372 162 HB3 ALA 22 2HB ALA 22 -5.588 1.484 -4.933 163 HA PRO 23 HA PRO 23 -2.708 3.220 -9.147 164 HB2 PRO 23 1HB PRO 23 -2.432 5.823 -8.250 165 HB3 PRO 23 2HB PRO 23 -3.294 5.346 -9.716 166 HG2 PRO 23 1HG PRO 23 -4.375 5.966 -6.998 167 HG3 PRO 23 2HG PRO 23 -5.024 6.403 -8.590 168 HD2 PRO 23 1HD PRO 23 -6.071 4.392 -7.168 169 HD3 PRO 23 2HD PRO 23 -5.926 4.290 -8.937 170 H SER 24 H SER 24 -0.546 3.513 -8.507 171 HA SER 24 HA SER 24 0.111 2.488 -5.976 172 HB2 SER 24 1HB SER 24 1.532 2.292 -8.017 173 HB3 SER 24 2HB SER 24 1.911 4.007 -7.882 174 HG SER 24 HG SER 24 3.543 3.080 -6.828 175 H LEU 25 H LEU 25 -0.086 3.489 -4.101 176 HA LEU 25 HA LEU 25 -0.012 6.395 -3.962 177 HB2 LEU 25 1HB LEU 25 -1.806 5.193 -2.804 178 HB3 LEU 25 2HB LEU 25 -0.622 4.310 -1.863 179 HG LEU 25 HG LEU 25 0.092 6.435 -0.810 180 HD11 LEU 25 1HD1 LEU 25 -2.233 7.603 -2.333 181 HD12 LEU 25 2HD1 LEU 25 -0.527 7.966 -2.595 182 HD13 LEU 25 3HD1 LEU 25 -1.305 8.426 -1.079 183 HD21 LEU 25 3HD2 LEU 25 -2.855 5.835 -0.590 184 HD22 LEU 25 1HD2 LEU 25 -1.887 6.710 0.596 185 HD23 LEU 25 2HD2 LEU 25 -1.562 5.007 0.276 186 H TYR 26 H TYR 26 1.869 7.368 -3.672 187 HA TYR 26 HA TYR 26 4.055 5.905 -2.397 188 HB2 TYR 26 1HB TYR 26 4.038 8.512 -3.926 189 HB3 TYR 26 2HB TYR 26 5.473 7.778 -3.218 190 HD1 TYR 26 HD1 TYR 26 6.222 5.524 -4.060 191 HD2 TYR 26 HD2 TYR 26 3.246 7.833 -6.039 192 HE1 TYR 26 HE1 TYR 26 6.565 4.202 -6.106 193 HE2 TYR 26 HE2 TYR 26 3.580 6.518 -8.089 194 HH TYR 26 HH TYR 26 5.396 5.151 -9.118 195 H LEU 27 H LEU 27 3.879 6.009 -0.277 196 HA LEU 27 HA LEU 27 3.112 8.470 1.064 197 HB2 LEU 27 1HB LEU 27 2.232 6.353 1.875 198 HB3 LEU 27 2HB LEU 27 3.852 5.727 2.088 199 HG LEU 27 HG LEU 27 4.234 7.449 3.853 200 HD11 LEU 27 1HD1 LEU 27 2.288 8.577 4.816 201 HD12 LEU 27 2HD1 LEU 27 1.284 7.959 3.504 202 HD13 LEU 27 3HD1 LEU 27 2.588 9.096 3.156 203 HD21 LEU 27 3HD2 LEU 27 3.601 5.170 4.421 204 HD22 LEU 27 1HD2 LEU 27 1.897 5.595 4.282 205 HD23 LEU 27 2HD2 LEU 27 2.886 6.319 5.548 206 H SER 28 H SER 28 4.682 9.963 1.048 207 HA SER 28 HA SER 28 7.413 9.108 1.752 208 HB2 SER 28 1HB SER 28 8.051 11.349 0.682 209 HB3 SER 28 2HB SER 28 7.487 10.083 -0.408 210 HG SER 28 HG SER 28 5.482 11.686 0.597 211 H GLY 29 H GLY 29 8.391 9.965 3.510 212 HA2 GLY 29 1HA GLY 29 7.201 12.287 4.820 213 HA3 GLY 29 2HA GLY 29 7.187 10.777 5.719 214 H LEU 30 H LEU 30 8.576 11.289 7.328 215 HA LEU 30 HA LEU 30 11.235 12.297 6.592 216 HB2 LEU 30 1HB LEU 30 9.925 12.196 9.309 217 HB3 LEU 30 2HB LEU 30 11.463 12.945 8.930 218 HG LEU 30 HG LEU 30 8.751 13.851 7.966 219 HD11 LEU 30 1HD1 LEU 30 10.710 15.088 9.891 220 HD12 LEU 30 2HD1 LEU 30 9.168 14.342 10.309 221 HD13 LEU 30 3HD1 LEU 30 9.202 15.816 9.343 222 HD21 LEU 30 3HD2 LEU 30 9.954 15.758 7.003 223 HD22 LEU 30 1HD2 LEU 30 10.434 14.234 6.254 224 HD23 LEU 30 2HD2 LEU 30 11.488 15.006 7.440 225 H PHE 31 H PHE 31 13.086 11.216 7.237 226 HA PHE 31 HA PHE 31 12.924 8.408 7.388 227 HB2 PHE 31 1HB PHE 31 14.870 9.486 6.429 228 HB3 PHE 31 2HB PHE 31 15.228 10.286 7.954 229 HD1 PHE 31 HD1 PHE 31 14.864 6.897 6.464 230 HD2 PHE 31 HD2 PHE 31 16.729 9.319 9.425 231 HE1 PHE 31 HE1 PHE 31 16.285 5.000 7.117 232 HE2 PHE 31 HE2 PHE 31 18.156 7.425 10.082 233 HZ PHE 31 HZ PHE 31 17.933 5.261 8.928 234 H ASN 32 H ASN 32 12.997 7.000 9.031 235 HA ASN 32 HA ASN 32 13.147 6.105 11.112 236 HB2 ASN 32 1HB ASN 32 15.194 7.430 11.421 237 HB3 ASN 32 2HB ASN 32 14.236 8.808 11.941 238 HD21 ASN 32 2HD2 ASN 32 13.467 8.888 14.003 239 HD22 ASN 32 1HD2 ASN 32 13.888 7.736 15.228 240 H GLU 33 H GLU 33 11.019 8.273 10.101 241 HA GLU 33 HA GLU 33 9.721 8.657 12.708 242 HB2 GLU 33 1HB GLU 33 10.178 10.567 10.968 243 HB3 GLU 33 2HB GLU 33 8.741 9.929 10.178 244 HG2 GLU 33 1HG GLU 33 8.248 11.805 11.682 245 HG3 GLU 33 2HG GLU 33 7.424 10.319 12.155 246 H ALA 34 H ALA 34 7.748 7.793 13.148 247 HA ALA 34 HA ALA 34 6.997 5.487 11.655 248 HB1 ALA 34 3HB ALA 34 5.235 5.230 13.310 249 HB2 ALA 34 1HB ALA 34 5.543 6.857 13.913 250 HB3 ALA 34 2HB ALA 34 6.770 5.604 14.089 251 H TYR 35 H TYR 35 5.046 5.089 10.555 252 HA TYR 35 HA TYR 35 3.539 7.487 9.802 253 HB2 TYR 35 1HB TYR 35 3.470 6.754 7.467 254 HB3 TYR 35 2HB TYR 35 5.117 7.049 8.000 255 HD1 TYR 35 HD1 TYR 35 2.656 4.345 7.361 256 HD2 TYR 35 HD2 TYR 35 6.760 5.383 7.763 257 HE1 TYR 35 HE1 TYR 35 3.289 2.136 6.515 258 HE2 TYR 35 HE2 TYR 35 7.406 3.163 6.924 259 HH TYR 35 HH TYR 35 6.634 1.060 6.452 260 H ASN 36 H ASN 36 1.499 6.948 8.670 261 HA ASN 36 HA ASN 36 0.312 4.463 9.721 262 HB2 ASN 36 1HB ASN 36 -0.856 7.243 9.543 263 HB3 ASN 36 2HB ASN 36 -1.856 5.808 9.759 264 HD21 ASN 36 2HD2 ASN 36 0.522 7.896 11.217 265 HD22 ASN 36 1HD2 ASN 36 0.306 7.331 12.836 266 H VAL 37 H VAL 37 -0.712 3.208 8.274 267 HA VAL 37 HA VAL 37 -0.742 4.155 5.495 268 HB VAL 37 HB VAL 37 -1.002 1.338 6.564 269 HG11 VAL 37 1HG1 VAL 37 -0.698 2.323 3.729 270 HG12 VAL 37 2HG1 VAL 37 -2.160 1.632 4.433 271 HG13 VAL 37 3HG1 VAL 37 -0.719 0.635 4.241 272 HG21 VAL 37 3HG2 VAL 37 1.257 1.022 5.663 273 HG22 VAL 37 1HG2 VAL 37 1.219 2.244 6.933 274 HG23 VAL 37 2HG2 VAL 37 1.319 2.734 5.242 275 HA PRO 38 HA PRO 38 -5.196 4.496 5.909 276 HB2 PRO 38 1HB PRO 38 -5.094 5.131 3.049 277 HB3 PRO 38 2HB PRO 38 -5.641 6.133 4.395 278 HG2 PRO 38 1HG PRO 38 -3.359 6.650 3.053 279 HG3 PRO 38 2HG PRO 38 -3.545 6.994 4.783 280 HD2 PRO 38 1HD PRO 38 -2.160 4.701 3.442 281 HD3 PRO 38 2HD PRO 38 -1.662 5.642 4.866 282 H MET 39 H MET 39 -6.454 2.764 5.860 283 HA MET 39 HA MET 39 -6.011 0.633 3.944 284 HB2 MET 39 1HB MET 39 -8.076 0.953 6.136 285 HB3 MET 39 2HB MET 39 -7.884 -0.487 5.146 286 HG2 MET 39 1HG MET 39 -5.821 0.648 7.025 287 HG3 MET 39 2HG MET 39 -6.847 -0.752 7.333 288 HE1 MET 39 3HE MET 39 -6.706 -3.014 5.929 289 HE2 MET 39 1HE MET 39 -5.564 -3.273 4.609 290 HE3 MET 39 2HE MET 39 -6.871 -2.102 4.427 291 H LYS 40 H LYS 40 -8.695 2.737 4.885 292 HA LYS 40 HA LYS 40 -10.218 3.899 3.688 293 HB2 LYS 40 1HB LYS 40 -8.257 4.331 2.171 294 HB3 LYS 40 2HB LYS 40 -8.790 2.970 1.196 295 HG2 LYS 40 1HG LYS 40 -10.879 4.101 0.716 296 HG3 LYS 40 2HG LYS 40 -10.403 5.449 1.752 297 HD2 LYS 40 1HD LYS 40 -8.415 5.779 0.276 298 HD3 LYS 40 2HD LYS 40 -9.086 4.558 -0.809 299 HE2 LYS 40 1HE LYS 40 -11.092 5.921 -1.101 300 HE3 LYS 40 2HE LYS 40 -10.429 7.137 -0.010 301 HZ1 LYS 40 3HZ LYS 40 -10.039 7.826 -2.243 302 HZ2 LYS 40 1HZ LYS 40 -9.350 6.332 -2.655 303 HZ3 LYS 40 2HZ LYS 40 -8.547 7.369 -1.581 304 H LYS 41 H LYS 41 -12.259 3.522 2.910 305 HA LYS 41 HA LYS 41 -12.992 0.749 2.530 306 HB2 LYS 41 1HB LYS 41 -14.463 2.302 3.800 307 HB3 LYS 41 2HB LYS 41 -14.724 3.222 2.322 308 HG2 LYS 41 1HG LYS 41 -15.591 1.054 1.306 309 HG3 LYS 41 2HG LYS 41 -15.619 0.428 2.955 310 HD2 LYS 41 1HD LYS 41 -17.805 1.260 2.402 311 HD3 LYS 41 2HD LYS 41 -17.074 2.333 3.598 312 HE2 LYS 41 1HE LYS 41 -16.496 3.925 1.872 313 HE3 LYS 41 2HE LYS 41 -17.087 2.829 0.623 314 HZ1 LYS 41 3HZ LYS 41 -18.668 4.610 1.189 315 HZ2 LYS 41 1HZ LYS 41 -18.773 4.000 2.769 316 HZ3 LYS 41 2HZ LYS 41 -19.307 3.062 1.461 317 H ILE 42 H ILE 42 -12.062 0.125 0.589 318 HA ILE 42 HA ILE 42 -12.541 1.565 -1.832 319 HB ILE 42 HB ILE 42 -11.815 -1.362 -1.612 320 HG12 ILE 42 1HG1 ILE 42 -9.990 1.056 -1.628 321 HG13 ILE 42 2HG1 ILE 42 -10.259 -0.016 -0.259 322 HG21 ILE 42 1HG2 ILE 42 -11.354 0.708 -3.760 323 HG22 ILE 42 2HG2 ILE 42 -12.479 -0.648 -3.835 324 HG23 ILE 42 3HG2 ILE 42 -10.743 -0.944 -3.794 325 HD11 ILE 42 3HD1 ILE 42 -8.150 -0.478 -1.380 326 HD12 ILE 42 1HD1 ILE 42 -9.015 -0.801 -2.883 327 HD13 ILE 42 2HD1 ILE 42 -9.251 -1.854 -1.485 328 H LYS 43 H LYS 43 -14.052 1.086 -3.438 329 HA LYS 43 HA LYS 43 -16.609 0.736 -2.363 330 HB2 LYS 43 1HB LYS 43 -15.876 0.648 -5.287 331 HB3 LYS 43 2HB LYS 43 -17.425 1.106 -4.588 332 HG2 LYS 43 1HG LYS 43 -16.359 3.056 -3.540 333 HG3 LYS 43 2HG LYS 43 -14.829 2.604 -4.291 334 HD2 LYS 43 1HD LYS 43 -15.905 2.818 -6.510 335 HD3 LYS 43 2HD LYS 43 -17.378 3.368 -5.711 336 HE2 LYS 43 1HE LYS 43 -16.194 5.299 -6.467 337 HE3 LYS 43 2HE LYS 43 -16.050 5.230 -4.712 338 HZ1 LYS 43 3HZ LYS 43 -13.952 5.787 -5.835 339 HZ2 LYS 43 1HZ LYS 43 -13.971 4.284 -6.615 340 HZ3 LYS 43 2HZ LYS 43 -13.828 4.365 -4.925 341 H GLY 44 H GLY 44 -16.948 -1.241 -1.449 342 HA2 GLY 44 1HA GLY 44 -17.967 -3.306 -1.518 343 HA3 GLY 44 2HA GLY 44 -17.827 -3.286 -3.269 344 H TYR 45 H TYR 45 -15.158 -2.946 -0.979 345 HA TYR 45 HA TYR 45 -14.207 -5.601 -1.834 346 HB2 TYR 45 1HB TYR 45 -12.630 -3.054 -1.486 347 HB3 TYR 45 2HB TYR 45 -11.867 -4.639 -1.525 348 HD1 TYR 45 HD1 TYR 45 -13.938 -2.290 -3.505 349 HD2 TYR 45 HD2 TYR 45 -11.409 -5.705 -3.576 350 HE1 TYR 45 HE1 TYR 45 -13.869 -2.178 -5.958 351 HE2 TYR 45 HE2 TYR 45 -11.332 -5.603 -6.033 352 HH TYR 45 HH TYR 45 -12.464 -2.893 -7.792 353 H THR 46 H THR 46 -13.609 -6.969 -0.301 354 HA THR 46 HA THR 46 -13.538 -6.049 2.492 355 HB THR 46 HB THR 46 -13.867 -8.814 1.289 356 HG1 THR 46 HG1 THR 46 -15.936 -8.656 2.345 357 HG21 THR 46 3HG2 THR 46 -13.781 -8.015 4.200 358 HG22 THR 46 1HG2 THR 46 -12.575 -8.983 3.352 359 HG23 THR 46 2HG2 THR 46 -14.204 -9.614 3.590 360 H LEU 47 H LEU 47 -11.617 -6.323 3.701 361 HA LEU 47 HA LEU 47 -9.217 -6.665 2.219 362 HB2 LEU 47 1HB LEU 47 -9.338 -5.300 4.282 363 HB3 LEU 47 2HB LEU 47 -9.582 -6.769 5.210 364 HG LEU 47 HG LEU 47 -7.361 -7.577 4.472 365 HD11 LEU 47 1HD1 LEU 47 -7.121 -4.826 3.269 366 HD12 LEU 47 2HD1 LEU 47 -7.192 -6.351 2.385 367 HD13 LEU 47 3HD1 LEU 47 -5.813 -5.998 3.426 368 HD21 LEU 47 3HD2 LEU 47 -7.388 -4.894 5.843 369 HD22 LEU 47 1HD2 LEU 47 -6.032 -6.022 5.835 370 HD23 LEU 47 2HD2 LEU 47 -7.551 -6.474 6.612 371 H LEU 48 H LEU 48 -8.559 -8.530 1.425 372 HA LEU 48 HA LEU 48 -9.399 -11.048 2.446 373 HB2 LEU 48 1HB LEU 48 -8.865 -10.734 0.083 374 HB3 LEU 48 2HB LEU 48 -7.207 -10.339 0.491 375 HG LEU 48 HG LEU 48 -6.887 -12.635 1.345 376 HD11 LEU 48 1HD1 LEU 48 -9.177 -13.139 1.978 377 HD12 LEU 48 2HD1 LEU 48 -8.569 -14.344 0.843 378 HD13 LEU 48 3HD1 LEU 48 -9.673 -13.087 0.287 379 HD21 LEU 48 3HD2 LEU 48 -6.286 -12.081 -0.950 380 HD22 LEU 48 1HD2 LEU 48 -7.920 -12.477 -1.481 381 HD23 LEU 48 2HD2 LEU 48 -6.874 -13.738 -0.831 382 H LYS 49 H LYS 49 -6.321 -9.280 2.460 383 HA LYS 49 HA LYS 49 -5.485 -10.033 5.001 384 HB2 LYS 49 1HB LYS 49 -5.440 -12.329 4.176 385 HB3 LYS 49 2HB LYS 49 -4.430 -11.850 2.820 386 HG2 LYS 49 1HG LYS 49 -3.067 -12.941 4.452 387 HG3 LYS 49 2HG LYS 49 -2.650 -11.227 4.428 388 HD2 LYS 49 1HD LYS 49 -4.042 -10.868 6.412 389 HD3 LYS 49 2HD LYS 49 -4.454 -12.583 6.434 390 HE2 LYS 49 1HE LYS 49 -1.712 -11.379 6.790 391 HE3 LYS 49 2HE LYS 49 -2.699 -12.137 8.040 392 HZ1 LYS 49 3HZ LYS 49 -2.572 -14.222 6.743 393 HZ2 LYS 49 1HZ LYS 49 -1.059 -13.687 7.289 394 HZ3 LYS 49 2HZ LYS 49 -1.501 -13.468 5.671 395 H TYR 50 H TYR 50 -3.788 -8.760 5.536 396 HA TYR 50 HA TYR 50 -1.941 -8.001 3.381 397 HB2 TYR 50 1HB TYR 50 -1.322 -6.024 4.666 398 HB3 TYR 50 2HB TYR 50 -3.053 -6.034 4.373 399 HD1 TYR 50 HD1 TYR 50 -4.538 -6.933 6.323 400 HD2 TYR 50 HD2 TYR 50 -0.509 -5.658 6.793 401 HE1 TYR 50 HE1 TYR 50 -4.939 -6.569 8.722 402 HE2 TYR 50 HE2 TYR 50 -0.893 -5.294 9.191 403 HH TYR 50 HH TYR 50 -2.697 -4.904 10.733 404 H ASP 51 H ASP 51 0.165 -8.567 3.611 405 HA ASP 51 HA ASP 51 0.587 -10.888 5.117 406 HB2 ASP 51 1HB ASP 51 1.732 -10.503 3.015 407 HB3 ASP 51 2HB ASP 51 2.595 -9.129 3.705 408 H SER 52 H SER 52 2.406 -7.834 5.439 409 HA SER 52 HA SER 52 2.908 -8.607 8.227 410 HB2 SER 52 1HB SER 52 4.686 -7.082 6.314 411 HB3 SER 52 2HB SER 52 5.026 -7.295 8.032 412 HG SER 52 HG SER 52 4.761 -9.350 6.069 413 H GLU 53 H GLU 53 3.408 -6.732 9.662 414 HA GLU 53 HA GLU 53 1.164 -5.105 9.853 415 HB2 GLU 53 1HB GLU 53 3.873 -4.923 11.161 416 HB3 GLU 53 2HB GLU 53 2.537 -3.861 11.583 417 HG2 GLU 53 1HG GLU 53 2.397 -6.859 11.730 418 HG3 GLU 53 2HG GLU 53 2.838 -5.823 13.088 419 H ILE 54 H ILE 54 0.607 -3.218 9.077 420 HA ILE 54 HA ILE 54 2.295 -1.857 7.184 421 HB ILE 54 HB ILE 54 0.363 -0.332 6.907 422 HG12 ILE 54 1HG1 ILE 54 -0.936 -2.096 9.002 423 HG13 ILE 54 2HG1 ILE 54 -0.462 -0.417 9.233 424 HG21 ILE 54 1HG2 ILE 54 0.519 -2.350 5.566 425 HG22 ILE 54 2HG2 ILE 54 -1.165 -1.999 5.950 426 HG23 ILE 54 3HG2 ILE 54 -0.309 -3.271 6.820 427 HD11 ILE 54 3HD1 ILE 54 -2.854 -0.633 8.854 428 HD12 ILE 54 1HD1 ILE 54 -2.545 -1.408 7.300 429 HD13 ILE 54 2HD1 ILE 54 -2.084 0.275 7.553 430 H LEU 55 H LEU 55 1.873 -1.718 10.505 431 HA LEU 55 HA LEU 55 2.370 1.118 10.794 432 HB2 LEU 55 1HB LEU 55 0.998 -0.448 12.363 433 HB3 LEU 55 2HB LEU 55 2.559 -0.911 13.003 434 HG LEU 55 HG LEU 55 1.388 0.820 14.349 435 HD11 LEU 55 1HD1 LEU 55 3.807 0.625 14.487 436 HD12 LEU 55 2HD1 LEU 55 3.302 2.308 14.633 437 HD13 LEU 55 3HD1 LEU 55 3.985 1.722 13.117 438 HD21 LEU 55 3HD2 LEU 55 1.845 2.544 11.919 439 HD22 LEU 55 1HD2 LEU 55 1.298 3.117 13.497 440 HD23 LEU 55 2HD2 LEU 55 0.285 2.019 12.557 441 H GLY 56 H GLY 56 4.347 1.864 10.406 442 HA2 GLY 56 1HA GLY 56 6.618 0.686 11.733 443 HA3 GLY 56 2HA GLY 56 6.659 0.525 9.984 444 H VAL 57 H VAL 57 8.685 1.806 10.504 445 HA VAL 57 HA VAL 57 8.059 4.687 10.553 446 HB VAL 57 HB VAL 57 10.371 5.068 11.318 447 HG11 VAL 57 1HG1 VAL 57 8.613 4.894 12.985 448 HG12 VAL 57 2HG1 VAL 57 10.116 4.209 13.603 449 HG13 VAL 57 3HG1 VAL 57 8.824 3.144 13.050 450 HG21 VAL 57 3HG2 VAL 57 10.541 2.060 11.472 451 HG22 VAL 57 1HG2 VAL 57 11.746 3.190 12.089 452 HG23 VAL 57 2HG2 VAL 57 11.429 3.098 10.357 453 H PHE 58 H PHE 58 9.261 6.054 9.123 454 HA PHE 58 HA PHE 58 9.657 4.936 6.548 455 HB2 PHE 58 1HB PHE 58 10.302 7.659 7.664 456 HB3 PHE 58 2HB PHE 58 10.608 7.219 5.991 457 HD1 PHE 58 HD1 PHE 58 8.573 6.375 4.636 458 HD2 PHE 58 HD2 PHE 58 8.271 8.565 8.272 459 HE1 PHE 58 HE1 PHE 58 6.290 7.061 4.030 460 HE2 PHE 58 HE2 PHE 58 5.985 9.247 7.675 461 HZ PHE 58 HZ PHE 58 4.992 8.496 5.550 462 H THR 59 H THR 59 11.281 3.404 6.530 463 HA THR 59 HA THR 59 13.966 4.207 7.279 464 HB THR 59 HB THR 59 14.586 1.966 6.250 465 HG1 THR 59 HG1 THR 59 12.706 0.537 6.024 466 HG21 THR 59 3HG2 THR 59 13.676 0.666 8.130 467 HG22 THR 59 1HG2 THR 59 12.563 1.986 8.489 468 HG23 THR 59 2HG2 THR 59 14.302 2.231 8.654 469 H GLU 60 H GLU 60 15.681 3.658 5.437 470 HA GLU 60 HA GLU 60 15.235 5.549 3.368 471 HB2 GLU 60 1HB GLU 60 17.324 3.383 3.291 472 HB3 GLU 60 2HB GLU 60 17.393 4.982 2.569 473 HG2 GLU 60 1HG GLU 60 17.701 6.012 4.676 474 HG3 GLU 60 2HG GLU 60 17.335 4.510 5.531 475 H SER 61 H SER 61 14.992 2.082 3.620 476 HA SER 61 HA SER 61 14.888 1.521 0.841 477 HB2 SER 61 1HB SER 61 13.796 -0.180 3.089 478 HB3 SER 61 2HB SER 61 14.365 -0.722 1.509 479 HG SER 61 HG SER 61 16.193 0.710 3.031 480 HA PRO 62 HA PRO 62 10.631 2.853 0.190 481 HB2 PRO 62 1HB PRO 62 11.031 1.333 -2.321 482 HB3 PRO 62 2HB PRO 62 10.510 3.005 -2.092 483 HG2 PRO 62 1HG PRO 62 12.962 2.423 -2.996 484 HG3 PRO 62 2HG PRO 62 12.673 3.796 -1.911 485 HD2 PRO 62 1HD PRO 62 13.822 1.106 -1.300 486 HD3 PRO 62 2HD PRO 62 14.275 2.698 -0.659 487 H GLN 63 H GLN 63 9.352 1.643 1.483 488 HA GLN 63 HA GLN 63 9.348 -1.244 1.274 489 HB2 GLN 63 1HB GLN 63 7.772 0.604 3.079 490 HB3 GLN 63 2HB GLN 63 7.837 -1.149 3.217 491 HG2 GLN 63 1HG GLN 63 10.212 -1.050 3.691 492 HG3 GLN 63 2HG GLN 63 10.196 0.700 3.488 493 HE21 GLN 63 2HE2 GLN 63 10.962 -0.904 5.795 494 HE22 GLN 63 1HE2 GLN 63 9.957 -0.376 7.097 495 H THR 64 H THR 64 8.008 -2.349 0.040 496 HA THR 64 HA THR 64 5.720 -0.966 -1.157 497 HB THR 64 HB THR 64 6.809 -3.697 -1.865 498 HG1 THR 64 HG1 THR 64 8.122 -1.537 -2.156 499 HG21 THR 64 3HG2 THR 64 5.620 -3.334 -3.976 500 HG22 THR 64 1HG2 THR 64 5.043 -1.773 -3.390 501 HG23 THR 64 2HG2 THR 64 4.508 -3.262 -2.609 502 H ILE 65 H ILE 65 3.963 -1.081 0.096 503 HA ILE 65 HA ILE 65 3.375 -3.590 1.491 504 HB ILE 65 HB ILE 65 1.963 -0.931 1.782 505 HG12 ILE 65 1HG1 ILE 65 4.078 -2.194 3.543 506 HG13 ILE 65 2HG1 ILE 65 4.322 -0.799 2.498 507 HG21 ILE 65 1HG2 ILE 65 0.598 -2.859 2.401 508 HG22 ILE 65 2HG2 ILE 65 1.044 -1.921 3.827 509 HG23 ILE 65 3HG2 ILE 65 1.878 -3.434 3.471 510 HD11 ILE 65 3HD1 ILE 65 2.479 -0.934 4.871 511 HD12 ILE 65 1HD1 ILE 65 2.703 0.464 3.821 512 HD13 ILE 65 2HD1 ILE 65 4.042 -0.123 4.805 513 H ASN 66 H ASN 66 2.559 -4.879 -0.086 514 HA ASN 66 HA ASN 66 0.446 -3.935 -1.819 515 HB2 ASN 66 1HB ASN 66 1.657 -6.688 -1.474 516 HB3 ASN 66 2HB ASN 66 0.422 -6.285 -2.662 517 HD21 ASN 66 2HD2 ASN 66 3.143 -7.284 -3.029 518 HD22 ASN 66 1HD2 ASN 66 3.947 -6.121 -4.029 519 H ILE 67 H ILE 67 -1.253 -3.423 -0.533 520 HA ILE 67 HA ILE 67 -2.254 -5.270 1.458 521 HB ILE 67 HB ILE 67 -3.489 -2.708 0.419 522 HG12 ILE 67 1HG1 ILE 67 -1.810 -3.171 2.895 523 HG13 ILE 67 2HG1 ILE 67 -1.237 -2.392 1.424 524 HG21 ILE 67 1HG2 ILE 67 -4.782 -2.754 2.497 525 HG22 ILE 67 2HG2 ILE 67 -4.049 -4.304 2.918 526 HG23 ILE 67 3HG2 ILE 67 -5.100 -4.177 1.505 527 HD11 ILE 67 3HD1 ILE 67 -1.779 -0.755 3.117 528 HD12 ILE 67 1HD1 ILE 67 -3.422 -1.384 3.230 529 HD13 ILE 67 2HD1 ILE 67 -2.875 -0.605 1.744 530 H ILE 68 H ILE 68 -3.618 -6.895 0.999 531 HA ILE 68 HA ILE 68 -4.693 -6.951 -1.732 532 HB ILE 68 HB ILE 68 -4.271 -9.268 0.161 533 HG12 ILE 68 1HG1 ILE 68 -2.625 -8.353 -2.207 534 HG13 ILE 68 2HG1 ILE 68 -2.153 -8.200 -0.519 535 HG21 ILE 68 1HG2 ILE 68 -4.617 -10.651 -1.835 536 HG22 ILE 68 2HG2 ILE 68 -4.940 -9.199 -2.782 537 HG23 ILE 68 3HG2 ILE 68 -6.035 -9.662 -1.480 538 HD11 ILE 68 3HD1 ILE 68 -1.037 -10.067 -1.585 539 HD12 ILE 68 1HD1 ILE 68 -2.597 -10.778 -2.002 540 HD13 ILE 68 2HD1 ILE 68 -2.120 -10.628 -0.310 541 H TYR 69 H TYR 69 -6.710 -6.347 -1.864 542 HA TYR 69 HA TYR 69 -8.610 -7.071 0.238 543 HB2 TYR 69 1HB TYR 69 -8.695 -5.162 -2.086 544 HB3 TYR 69 2HB TYR 69 -10.182 -5.696 -1.311 545 HD1 TYR 69 HD1 TYR 69 -6.994 -3.891 -0.732 546 HD2 TYR 69 HD2 TYR 69 -10.876 -4.798 0.755 547 HE1 TYR 69 HE1 TYR 69 -6.736 -2.154 0.991 548 HE2 TYR 69 HE2 TYR 69 -10.628 -3.067 2.481 549 HH TYR 69 HH TYR 69 -8.258 -0.705 2.399 550 H GLN 70 H GLN 70 -10.860 -7.569 -0.868 551 HA GLN 70 HA GLN 70 -10.651 -9.203 -3.256 552 HB2 GLN 70 1HB GLN 70 -10.213 -10.635 -1.147 553 HB3 GLN 70 2HB GLN 70 -11.907 -10.362 -0.768 554 HG2 GLN 70 1HG GLN 70 -12.551 -11.405 -2.874 555 HG3 GLN 70 2HG GLN 70 -10.850 -11.673 -3.259 556 HE21 GLN 70 2HE2 GLN 70 -10.939 -13.864 -3.316 557 HE22 GLN 70 1HE2 GLN 70 -11.228 -14.843 -1.910 558 H LYS 71 H LYS 71 -12.439 -8.768 -4.479 559 HA LYS 71 HA LYS 71 -14.267 -6.845 -3.466 560 HB2 LYS 71 1HB LYS 71 -13.557 -7.086 -5.892 561 HB3 LYS 71 2HB LYS 71 -14.675 -8.442 -5.989 562 HG2 LYS 71 1HG LYS 71 -16.541 -7.094 -5.671 563 HG3 LYS 71 2HG LYS 71 -15.589 -5.776 -4.990 564 HD2 LYS 71 1HD LYS 71 -14.503 -5.666 -7.335 565 HD3 LYS 71 2HD LYS 71 -15.918 -6.592 -7.852 566 HE2 LYS 71 1HE LYS 71 -17.388 -4.880 -6.936 567 HE3 LYS 71 2HE LYS 71 -15.992 -3.962 -6.375 568 HZ1 LYS 71 3HZ LYS 71 -15.320 -3.972 -8.835 569 HZ2 LYS 71 1HZ LYS 71 -16.576 -2.938 -8.342 570 HZ3 LYS 71 2HZ LYS 71 -16.938 -4.395 -9.132 571 H LYS 72 H LYS 72 -16.294 -7.014 -2.737 572 HA LYS 72 HA LYS 72 -16.976 -9.455 -1.460 573 HB2 LYS 72 1HB LYS 72 -18.709 -7.010 -1.839 574 HB3 LYS 72 2HB LYS 72 -18.919 -8.265 -0.630 575 HG2 LYS 72 1HG LYS 72 -16.820 -7.603 0.431 576 HG3 LYS 72 2HG LYS 72 -16.599 -6.350 -0.793 577 HD2 LYS 72 1HD LYS 72 -18.800 -5.390 -0.068 578 HD3 LYS 72 2HD LYS 72 -18.788 -6.548 1.258 579 HE2 LYS 72 1HE LYS 72 -16.518 -4.639 0.822 580 HE3 LYS 72 2HE LYS 72 -17.954 -4.170 1.730 581 HZ1 LYS 72 3HZ LYS 72 -16.217 -4.968 3.198 582 HZ2 LYS 72 1HZ LYS 72 -16.160 -6.448 2.371 583 HZ3 LYS 72 2HZ LYS 72 -17.548 -6.021 3.240 584 H ALA 73 H ALA 73 -17.550 -8.301 -4.571 585 HA ALA 73 HA ALA 73 -18.732 -9.025 -6.355 586 HB1 ALA 73 3HB ALA 73 -19.619 -11.281 -6.400 587 HB2 ALA 73 1HB ALA 73 -19.449 -11.407 -4.650 588 HB3 ALA 73 2HB ALA 73 -18.015 -11.270 -5.668 589 HA PRO 74 HA PRO 74 -22.544 -7.048 -5.128 590 HB2 PRO 74 1HB PRO 74 -23.009 -6.884 -8.024 591 HB3 PRO 74 2HB PRO 74 -22.850 -5.586 -6.839 592 HG2 PRO 74 1HG PRO 74 -20.942 -6.083 -8.670 593 HG3 PRO 74 2HG PRO 74 -20.556 -5.502 -7.039 594 HD2 PRO 74 1HD PRO 74 -20.384 -8.278 -8.154 595 HD3 PRO 74 2HD PRO 74 -19.256 -7.423 -7.079 596 H GLU 75 H GLU 75 -23.760 -8.704 -4.317 597 HA GLU 75 HA GLU 75 -25.125 -10.471 -6.218 598 HB2 GLU 75 1HB GLU 75 -23.911 -11.153 -3.939 599 HB3 GLU 75 2HB GLU 75 -25.468 -10.713 -3.258 600 HG2 GLU 75 1HG GLU 75 -25.180 -12.689 -5.501 601 HG3 GLU 75 2HG GLU 75 -25.112 -13.152 -3.804 602 H GLN 76 H GLN 76 -27.428 -10.652 -6.135 603 HA GLN 76 HA GLN 76 -28.741 -8.150 -6.027 604 HB2 GLN 76 1HB GLN 76 -29.910 -10.935 -6.133 605 HB3 GLN 76 2HB GLN 76 -30.789 -9.450 -6.464 606 HG2 GLN 76 1HG GLN 76 -29.431 -9.024 -8.400 607 HG3 GLN 76 2HG GLN 76 -28.418 -10.423 -8.038 608 HE21 GLN 76 2HE2 GLN 76 -30.079 -9.770 -10.387 609 HE22 GLN 76 1HE2 GLN 76 -31.149 -11.123 -10.580 610 H ALA 77 H ALA 77 -28.521 -10.850 -3.815 611 HA ALA 77 HA ALA 77 -29.078 -11.139 -1.645 612 HB1 ALA 77 3HB ALA 77 -29.442 -9.201 -0.209 613 HB2 ALA 77 1HB ALA 77 -29.582 -8.164 -1.629 614 HB3 ALA 77 2HB ALA 77 -28.049 -8.958 -1.264 615 H LEU 78 H LEU 78 -31.043 -10.428 -0.024 616 HA LEU 78 HA LEU 78 -33.457 -10.876 -1.643 617 HB2 LEU 78 1HB LEU 78 -32.845 -11.764 1.176 618 HB3 LEU 78 2HB LEU 78 -34.407 -11.944 0.401 619 HG LEU 78 HG LEU 78 -31.834 -13.267 -0.466 620 HD11 LEU 78 1HD1 LEU 78 -34.338 -14.396 0.777 621 HD12 LEU 78 2HD1 LEU 78 -32.772 -14.220 1.571 622 HD13 LEU 78 3HD1 LEU 78 -32.952 -15.331 0.213 623 HD21 LEU 78 3HD2 LEU 78 -33.245 -12.720 -2.380 624 HD22 LEU 78 1HD2 LEU 78 -34.619 -13.501 -1.598 625 HD23 LEU 78 2HD2 LEU 78 -33.221 -14.460 -2.086 626 H GLU 79 H GLU 79 -34.020 -8.738 -1.918 627 HA GLU 79 HA GLU 79 -34.242 -6.869 0.186 628 HB2 GLU 79 1HB GLU 79 -34.213 -6.196 -2.185 629 HB3 GLU 79 2HB GLU 79 -35.765 -6.984 -2.431 630 HG2 GLU 79 1HG GLU 79 -36.880 -5.411 -1.050 631 HG3 GLU 79 2HG GLU 79 -35.357 -4.738 -0.477 632 H HIS 80 H HIS 80 -35.920 -6.366 1.538 633 HA HIS 80 HA HIS 80 -37.666 -8.553 2.169 634 HB2 HIS 80 1HB HIS 80 -36.539 -6.975 3.825 635 HB3 HIS 80 2HB HIS 80 -37.751 -5.782 3.370 636 HD1 HIS 80 HD1 HIS 80 -39.704 -5.738 4.888 637 HD2 HIS 80 HD2 HIS 80 -37.926 -9.501 4.754 638 HE1 HIS 80 HE1 HIS 80 -40.977 -7.153 6.532 639 HE2 HIS 80 HE2 HIS 80 -39.960 -9.451 6.352 640 H HIS 81 H HIS 81 -37.858 -6.170 -0.076 641 HA HIS 81 HA HIS 81 -40.802 -6.204 -0.069 642 HB2 HIS 81 1HB HIS 81 -38.878 -4.118 -1.100 643 HB3 HIS 81 2HB HIS 81 -40.576 -4.150 -1.555 644 HD1 HIS 81 HD1 HIS 81 -38.340 -2.702 0.844 645 HD2 HIS 81 HD2 HIS 81 -42.311 -3.945 0.868 646 HE1 HIS 81 HE1 HIS 81 -39.410 -1.523 2.792 647 HE2 HIS 81 HE2 HIS 81 -41.855 -2.124 2.649 648 H HIS 82 H HIS 82 -41.774 -7.138 -1.777 649 HA HIS 82 HA HIS 82 -40.246 -8.242 -3.931 650 HB2 HIS 82 1HB HIS 82 -43.224 -7.929 -3.507 651 HB3 HIS 82 2HB HIS 82 -42.530 -8.708 -4.927 652 HD1 HIS 82 HD1 HIS 82 -43.106 -9.202 -1.264 653 HD2 HIS 82 HD2 HIS 82 -41.445 -11.254 -4.479 654 HE1 HIS 82 HE1 HIS 82 -42.774 -11.565 -0.467 655 HE2 HIS 82 HE2 HIS 82 -41.609 -12.741 -2.373 656 H HIS 83 H HIS 83 -42.204 -5.395 -3.407 657 HA HIS 83 HA HIS 83 -41.004 -4.264 -5.844 658 HB2 HIS 83 1HB HIS 83 -43.717 -3.723 -4.631 659 HB3 HIS 83 2HB HIS 83 -42.973 -2.652 -5.816 660 HD1 HIS 83 HD1 HIS 83 -45.020 -5.657 -5.540 661 HD2 HIS 83 HD2 HIS 83 -42.446 -3.998 -8.358 662 HE1 HIS 83 HE1 HIS 83 -45.514 -6.852 -7.700 663 HE2 HIS 83 HE2 HIS 83 -43.895 -5.883 -9.378 664 H HIS 84 H HIS 84 -39.592 -2.751 -5.475 665 HA HIS 84 HA HIS 84 -38.607 -2.290 -2.931 666 HB2 HIS 84 1HB HIS 84 -37.232 -2.112 -4.911 667 HB3 HIS 84 2HB HIS 84 -38.165 -0.737 -5.484 668 HD1 HIS 84 HD1 HIS 84 -35.623 -1.694 -2.868 669 HD2 HIS 84 HD2 HIS 84 -37.393 1.713 -4.478 670 HE1 HIS 84 HE1 HIS 84 -34.319 0.255 -1.952 671 HE2 HIS 84 HE2 HIS 84 -35.283 2.284 -3.096 672 H HIS 85 H HIS 85 -40.846 -0.316 -4.804 673 HA HIS 85 HA HIS 85 -42.135 1.471 -4.245 674 HB2 HIS 85 1HB HIS 85 -42.783 0.337 -2.218 675 HB3 HIS 85 2HB HIS 85 -41.262 0.747 -1.437 676 HD1 HIS 85 HD1 HIS 85 -41.293 2.750 0.013 677 HD2 HIS 85 HD2 HIS 85 -44.442 2.750 -2.710 678 HE1 HIS 85 HE1 HIS 85 -42.727 4.723 0.630 679 HE2 HIS 85 HE2 HIS 85 -44.535 4.797 -1.122 Start of MODEL 10 1 H1 MET 1 1H MET 1 8.523 4.098 -13.745 2 H2 MET 1 2H MET 1 9.206 2.601 -14.143 3 H3 MET 1 3H MET 1 7.978 3.253 -15.115 4 HA MET 1 HA MET 1 10.077 3.536 -16.203 5 HB2 MET 1 1HB MET 1 9.037 6.127 -15.031 6 HB3 MET 1 2HB MET 1 10.087 6.006 -16.434 7 HG2 MET 1 1HG MET 1 8.355 4.819 -17.651 8 HG3 MET 1 2HG MET 1 7.305 4.878 -16.236 9 HE1 MET 1 3HE MET 1 5.542 7.370 -18.659 10 HE2 MET 1 1HE MET 1 5.351 5.952 -17.627 11 HE3 MET 1 2HE MET 1 6.353 5.859 -19.075 12 H ASP 2 H ASP 2 10.176 5.794 -13.449 13 HA ASP 2 HA ASP 2 12.998 5.045 -13.047 14 HB2 ASP 2 1HB ASP 2 11.721 7.774 -13.043 15 HB3 ASP 2 2HB ASP 2 13.254 7.471 -12.233 16 H PHE 3 H PHE 3 13.687 6.157 -10.803 17 HA PHE 3 HA PHE 3 11.742 5.135 -8.843 18 HB2 PHE 3 1HB PHE 3 14.751 5.371 -8.619 19 HB3 PHE 3 2HB PHE 3 13.683 4.770 -7.355 20 HD1 PHE 3 HD2 PHE 3 12.500 2.623 -7.660 21 HD2 PHE 3 HD1 PHE 3 15.418 4.001 -10.434 22 HE1 PHE 3 HE2 PHE 3 12.702 0.347 -8.573 23 HE2 PHE 3 HE1 PHE 3 15.624 1.728 -11.353 24 HZ PHE 3 HZ PHE 3 14.265 -0.103 -10.421 25 H GLY 4 H GLY 4 11.585 6.263 -6.803 26 HA2 GLY 4 1HA GLY 4 11.912 9.150 -7.173 27 HA3 GLY 4 2HA GLY 4 10.854 8.373 -6.005 28 H LYS 5 H LYS 5 11.602 7.914 -3.987 29 HA LYS 5 HA LYS 5 14.434 8.507 -3.445 30 HB2 LYS 5 1HB LYS 5 12.003 9.490 -1.966 31 HB3 LYS 5 2HB LYS 5 13.574 9.392 -1.183 32 HG2 LYS 5 1HG LYS 5 14.465 10.846 -3.037 33 HG3 LYS 5 2HG LYS 5 12.790 11.085 -3.541 34 HD2 LYS 5 1HD LYS 5 12.228 12.114 -1.466 35 HD3 LYS 5 2HD LYS 5 13.775 11.659 -0.753 36 HE2 LYS 5 1HE LYS 5 13.880 13.979 -1.305 37 HE3 LYS 5 2HE LYS 5 14.901 13.105 -2.444 38 HZ1 LYS 5 3HZ LYS 5 13.607 14.745 -3.595 39 HZ2 LYS 5 1HZ LYS 5 12.163 14.132 -2.957 40 HZ3 LYS 5 2HZ LYS 5 13.066 13.206 -4.058 41 HA PRO 6 HA PRO 6 14.655 4.673 -1.305 42 HB2 PRO 6 1HB PRO 6 16.187 5.988 0.848 43 HB3 PRO 6 2HB PRO 6 16.676 4.698 -0.255 44 HG2 PRO 6 1HG PRO 6 17.640 7.183 -0.506 45 HG3 PRO 6 2HG PRO 6 17.289 6.178 -1.925 46 HD2 PRO 6 1HD PRO 6 15.685 8.413 -0.739 47 HD3 PRO 6 2HD PRO 6 16.013 8.044 -2.446 48 H ASN 7 H ASN 7 13.709 7.497 0.580 49 HA ASN 7 HA ASN 7 12.594 5.797 2.678 50 HB2 ASN 7 1HB ASN 7 12.222 7.854 3.928 51 HB3 ASN 7 2HB ASN 7 13.882 7.796 3.350 52 HD21 ASN 7 2HD2 ASN 7 12.052 10.026 4.117 53 HD22 ASN 7 1HD2 ASN 7 12.098 11.116 2.779 54 H GLN 8 H GLN 8 11.533 6.293 -0.174 55 HA GLN 8 HA GLN 8 8.906 7.402 0.424 56 HB2 GLN 8 1HB GLN 8 10.130 8.049 -1.646 57 HB3 GLN 8 2HB GLN 8 10.025 6.383 -2.195 58 HG2 GLN 8 1HG GLN 8 7.642 6.517 -2.344 59 HG3 GLN 8 2HG GLN 8 7.642 8.117 -1.600 60 HE21 GLN 8 2HE2 GLN 8 6.643 9.102 -3.324 61 HE22 GLN 8 1HE2 GLN 8 7.432 9.352 -4.842 62 H VAL 9 H VAL 9 7.376 6.106 1.166 63 HA VAL 9 HA VAL 9 7.610 3.230 0.848 64 HB VAL 9 HB VAL 9 5.599 4.896 2.377 65 HG11 VAL 9 1HG1 VAL 9 4.601 2.783 1.710 66 HG12 VAL 9 2HG1 VAL 9 4.931 2.787 3.443 67 HG13 VAL 9 3HG1 VAL 9 5.994 1.907 2.345 68 HG21 VAL 9 3HG2 VAL 9 6.793 4.074 4.357 69 HG22 VAL 9 1HG2 VAL 9 7.841 5.019 3.301 70 HG23 VAL 9 2HG2 VAL 9 7.954 3.259 3.310 71 H THR 10 H THR 10 6.419 2.011 -0.482 72 HA THR 10 HA THR 10 4.557 3.434 -2.258 73 HB THR 10 HB THR 10 5.906 0.786 -2.805 74 HG1 THR 10 HG1 THR 10 7.008 3.241 -2.698 75 HG21 THR 10 3HG2 THR 10 4.646 2.844 -4.626 76 HG22 THR 10 1HG2 THR 10 3.938 1.293 -4.176 77 HG23 THR 10 2HG2 THR 10 5.412 1.341 -5.143 78 H VAL 11 H VAL 11 2.564 3.185 -1.364 79 HA VAL 11 HA VAL 11 1.729 0.587 -0.358 80 HB VAL 11 HB VAL 11 0.142 3.150 -0.626 81 HG11 VAL 11 1HG1 VAL 11 -0.469 0.622 0.902 82 HG12 VAL 11 2HG1 VAL 11 -1.277 1.166 -0.568 83 HG13 VAL 11 3HG1 VAL 11 -1.432 2.099 0.919 84 HG21 VAL 11 3HG2 VAL 11 2.012 3.419 0.909 85 HG22 VAL 11 1HG2 VAL 11 1.524 1.965 1.779 86 HG23 VAL 11 2HG2 VAL 11 0.485 3.390 1.790 87 H ASN 12 H ASN 12 0.790 -0.898 -1.598 88 HA ASN 12 HA ASN 12 -0.330 -0.035 -4.180 89 HB2 ASN 12 1HB ASN 12 1.908 -1.103 -4.388 90 HB3 ASN 12 2HB ASN 12 1.259 -2.551 -3.630 91 HD21 ASN 12 2HD2 ASN 12 1.880 -3.698 -5.483 92 HD22 ASN 12 1HD2 ASN 12 0.933 -3.641 -6.925 93 H TYR 13 H TYR 13 -2.396 -0.525 -4.378 94 HA TYR 13 HA TYR 13 -3.616 -2.364 -2.478 95 HB2 TYR 13 1HB TYR 13 -4.878 -0.469 -4.473 96 HB3 TYR 13 2HB TYR 13 -5.752 -1.416 -3.273 97 HD1 TYR 13 HD1 TYR 13 -4.896 -1.048 -0.781 98 HD2 TYR 13 HD2 TYR 13 -4.368 1.732 -3.954 99 HE1 TYR 13 HE1 TYR 13 -4.655 0.766 0.857 100 HE2 TYR 13 HE2 TYR 13 -4.120 3.553 -2.325 101 HH TYR 13 HH TYR 13 -3.763 2.969 1.053 102 H LEU 14 H LEU 14 -3.816 -4.413 -3.017 103 HA LEU 14 HA LEU 14 -3.816 -5.100 -5.876 104 HB2 LEU 14 1HB LEU 14 -2.798 -6.669 -3.513 105 HB3 LEU 14 2HB LEU 14 -2.829 -7.258 -5.164 106 HG LEU 14 HG LEU 14 -1.194 -4.957 -4.103 107 HD11 LEU 14 1HD1 LEU 14 -0.334 -7.167 -3.536 108 HD12 LEU 14 2HD1 LEU 14 0.698 -6.366 -4.721 109 HD13 LEU 14 3HD1 LEU 14 -0.410 -7.638 -5.234 110 HD21 LEU 14 3HD2 LEU 14 -1.380 -6.026 -6.915 111 HD22 LEU 14 1HD2 LEU 14 -0.299 -4.752 -6.347 112 HD23 LEU 14 2HD2 LEU 14 -2.044 -4.489 -6.355 113 H ASP 15 H ASP 15 -4.460 -7.540 -6.025 114 HA ASP 15 HA ASP 15 -7.002 -8.067 -4.683 115 HB2 ASP 15 1HB ASP 15 -7.848 -7.064 -6.625 116 HB3 ASP 15 2HB ASP 15 -6.514 -7.624 -7.619 117 H GLU 16 H GLU 16 -7.700 -10.413 -5.568 118 HA GLU 16 HA GLU 16 -5.674 -12.223 -4.756 119 HB2 GLU 16 1HB GLU 16 -8.267 -12.776 -6.208 120 HB3 GLU 16 2HB GLU 16 -7.252 -13.989 -5.440 121 HG2 GLU 16 1HG GLU 16 -7.625 -12.854 -3.272 122 HG3 GLU 16 2HG GLU 16 -8.752 -11.765 -4.086 123 H ASN 17 H ASN 17 -6.889 -11.147 -7.871 124 HA ASN 17 HA ASN 17 -5.107 -12.893 -9.359 125 HB2 ASN 17 1HB ASN 17 -6.710 -10.512 -10.341 126 HB3 ASN 17 2HB ASN 17 -5.941 -11.735 -11.344 127 HD21 ASN 17 2HD2 ASN 17 -8.610 -10.974 -9.274 128 HD22 ASN 17 1HD2 ASN 17 -9.568 -12.377 -9.649 129 H ASN 18 H ASN 18 -4.499 -10.586 -7.363 130 HA ASN 18 HA ASN 18 -2.981 -9.005 -6.969 131 HB2 ASN 18 1HB ASN 18 -1.585 -10.471 -9.208 132 HB3 ASN 18 2HB ASN 18 -0.848 -9.084 -8.412 133 HD21 ASN 18 2HD2 ASN 18 -1.752 -12.406 -8.120 134 HD22 ASN 18 1HD2 ASN 18 -0.949 -12.705 -6.617 135 H THR 19 H THR 19 -5.169 -8.446 -8.721 136 HA THR 19 HA THR 19 -4.300 -6.671 -10.783 137 HB THR 19 HB THR 19 -7.024 -6.634 -9.492 138 HG1 THR 19 HG1 THR 19 -7.175 -8.683 -10.015 139 HG21 THR 19 3HG2 THR 19 -7.754 -6.115 -11.782 140 HG22 THR 19 1HG2 THR 19 -6.082 -6.204 -12.332 141 HG23 THR 19 2HG2 THR 19 -6.571 -4.944 -11.199 142 H SER 20 H SER 20 -3.640 -4.605 -10.520 143 HA SER 20 HA SER 20 -3.789 -3.277 -8.001 144 HB2 SER 20 1HB SER 20 -3.129 -2.161 -10.743 145 HB3 SER 20 2HB SER 20 -2.840 -1.348 -9.204 146 HG SER 20 HG SER 20 -1.329 -2.883 -8.680 147 H ILE 21 H ILE 21 -5.835 -2.973 -7.309 148 HA ILE 21 HA ILE 21 -7.932 -2.242 -9.157 149 HB ILE 21 HB ILE 21 -9.396 -2.315 -7.129 150 HG12 ILE 21 1HG1 ILE 21 -6.832 -3.206 -5.784 151 HG13 ILE 21 2HG1 ILE 21 -7.703 -1.711 -5.456 152 HG21 ILE 21 1HG2 ILE 21 -9.248 -4.759 -6.872 153 HG22 ILE 21 2HG2 ILE 21 -7.680 -4.733 -7.678 154 HG23 ILE 21 3HG2 ILE 21 -9.131 -4.255 -8.559 155 HD11 ILE 21 3HD1 ILE 21 -8.124 -3.364 -3.739 156 HD12 ILE 21 1HD1 ILE 21 -8.717 -4.498 -4.953 157 HD13 ILE 21 2HD1 ILE 21 -9.602 -3.008 -4.633 158 H ALA 22 H ALA 22 -5.838 -0.634 -6.974 159 HA ALA 22 HA ALA 22 -7.171 1.896 -7.615 160 HB1 ALA 22 3HB ALA 22 -6.812 2.730 -5.356 161 HB2 ALA 22 1HB ALA 22 -6.119 1.180 -4.877 162 HB3 ALA 22 2HB ALA 22 -7.821 1.285 -5.324 163 HA PRO 23 HA PRO 23 -3.138 3.267 -8.840 164 HB2 PRO 23 1HB PRO 23 -3.241 5.844 -7.794 165 HB3 PRO 23 2HB PRO 23 -3.842 5.360 -9.382 166 HG2 PRO 23 1HG PRO 23 -5.333 5.754 -6.827 167 HG3 PRO 23 2HG PRO 23 -5.824 6.140 -8.487 168 HD2 PRO 23 1HD PRO 23 -6.787 3.991 -7.210 169 HD3 PRO 23 2HD PRO 23 -6.429 3.948 -8.950 170 H SER 24 H SER 24 -1.118 3.337 -7.974 171 HA SER 24 HA SER 24 -0.751 2.459 -5.341 172 HB2 SER 24 1HB SER 24 0.849 2.064 -7.216 173 HB3 SER 24 2HB SER 24 1.313 3.763 -7.134 174 HG SER 24 HG SER 24 1.413 2.254 -4.781 175 H LEU 25 H LEU 25 -0.394 3.468 -3.476 176 HA LEU 25 HA LEU 25 -0.564 6.391 -3.472 177 HB2 LEU 25 1HB LEU 25 -2.249 5.223 -2.163 178 HB3 LEU 25 2HB LEU 25 -1.005 4.353 -1.291 179 HG LEU 25 HG LEU 25 -0.236 6.481 -0.295 180 HD11 LEU 25 1HD1 LEU 25 -0.960 7.997 -2.064 181 HD12 LEU 25 2HD1 LEU 25 -1.624 8.477 -0.502 182 HD13 LEU 25 3HD1 LEU 25 -2.646 7.651 -1.677 183 HD21 LEU 25 3HD2 LEU 25 -1.796 5.087 0.920 184 HD22 LEU 25 1HD2 LEU 25 -3.157 5.829 0.079 185 HD23 LEU 25 2HD2 LEU 25 -2.178 6.788 1.191 186 H TYR 26 H TYR 26 1.405 7.259 -3.587 187 HA TYR 26 HA TYR 26 3.686 6.001 -2.353 188 HB2 TYR 26 1HB TYR 26 3.385 8.647 -3.792 189 HB3 TYR 26 2HB TYR 26 4.915 8.008 -3.198 190 HD1 TYR 26 HD1 TYR 26 5.973 6.102 -4.290 191 HD2 TYR 26 HD2 TYR 26 2.306 7.694 -5.744 192 HE1 TYR 26 HE1 TYR 26 6.277 4.865 -6.393 193 HE2 TYR 26 HE2 TYR 26 2.600 6.459 -7.850 194 HH TYR 26 HH TYR 26 4.391 5.466 -9.167 195 H LEU 27 H LEU 27 3.975 6.122 -0.269 196 HA LEU 27 HA LEU 27 2.969 8.459 1.199 197 HB2 LEU 27 1HB LEU 27 2.057 6.270 1.851 198 HB3 LEU 27 2HB LEU 27 3.679 5.682 2.159 199 HG LEU 27 HG LEU 27 3.898 7.346 3.991 200 HD11 LEU 27 1HD1 LEU 27 2.312 9.011 3.219 201 HD12 LEU 27 2HD1 LEU 27 1.871 8.441 4.830 202 HD13 LEU 27 3HD1 LEU 27 0.986 7.866 3.417 203 HD21 LEU 27 3HD2 LEU 27 1.538 5.484 4.196 204 HD22 LEU 27 1HD2 LEU 27 2.427 6.178 5.551 205 HD23 LEU 27 2HD2 LEU 27 3.228 5.053 4.455 206 H SER 28 H SER 28 4.663 9.872 1.000 207 HA SER 28 HA SER 28 7.291 8.978 1.946 208 HB2 SER 28 1HB SER 28 6.500 11.552 0.553 209 HB3 SER 28 2HB SER 28 8.144 11.071 0.977 210 HG SER 28 HG SER 28 6.525 10.230 -1.102 211 H GLY 29 H GLY 29 8.326 10.023 3.654 212 HA2 GLY 29 1HA GLY 29 7.013 12.179 5.061 213 HA3 GLY 29 2HA GLY 29 6.973 10.635 5.905 214 H LEU 30 H LEU 30 8.227 11.631 7.578 215 HA LEU 30 HA LEU 30 10.887 12.561 6.945 216 HB2 LEU 30 1HB LEU 30 9.616 13.589 8.761 217 HB3 LEU 30 2HB LEU 30 9.524 12.048 9.591 218 HG LEU 30 HG LEU 30 11.975 12.073 9.886 219 HD11 LEU 30 1HD1 LEU 30 13.228 14.113 9.418 220 HD12 LEU 30 2HD1 LEU 30 11.797 14.829 8.676 221 HD13 LEU 30 3HD1 LEU 30 12.562 13.421 7.938 222 HD21 LEU 30 3HD2 LEU 30 10.540 14.528 10.886 223 HD22 LEU 30 1HD2 LEU 30 12.034 13.869 11.553 224 HD23 LEU 30 2HD2 LEU 30 10.540 12.935 11.643 225 H PHE 31 H PHE 31 12.797 11.483 7.323 226 HA PHE 31 HA PHE 31 12.770 8.671 7.220 227 HB2 PHE 31 1HB PHE 31 14.626 10.070 6.354 228 HB3 PHE 31 2HB PHE 31 15.060 10.489 8.008 229 HD1 PHE 31 HD2 PHE 31 14.766 7.675 5.636 230 HD2 PHE 31 HD1 PHE 31 16.424 9.079 9.291 231 HE1 PHE 31 HE2 PHE 31 16.185 5.672 5.758 232 HE2 PHE 31 HE1 PHE 31 17.846 7.078 9.421 233 HZ PHE 31 HZ PHE 31 17.728 5.370 7.653 234 H ASN 32 H ASN 32 12.896 7.137 8.757 235 HA ASN 32 HA ASN 32 12.986 6.103 10.778 236 HB2 ASN 32 1HB ASN 32 15.038 7.508 11.138 237 HB3 ASN 32 2HB ASN 32 14.019 8.705 11.927 238 HD21 ASN 32 2HD2 ASN 32 15.031 8.537 13.886 239 HD22 ASN 32 1HD2 ASN 32 14.906 7.144 14.903 240 H GLU 33 H GLU 33 10.830 8.162 9.849 241 HA GLU 33 HA GLU 33 9.464 8.595 12.391 242 HB2 GLU 33 1HB GLU 33 9.404 10.449 10.854 243 HB3 GLU 33 2HB GLU 33 8.816 9.421 9.557 244 HG2 GLU 33 1HG GLU 33 6.718 9.098 10.766 245 HG3 GLU 33 2HG GLU 33 7.309 10.135 12.062 246 H ALA 34 H ALA 34 7.617 7.548 13.008 247 HA ALA 34 HA ALA 34 6.956 5.098 11.593 248 HB1 ALA 34 3HB ALA 34 5.832 6.244 14.154 249 HB2 ALA 34 1HB ALA 34 7.128 5.053 14.035 250 HB3 ALA 34 2HB ALA 34 5.497 4.637 13.507 251 H TYR 35 H TYR 35 5.443 5.048 10.066 252 HA TYR 35 HA TYR 35 3.685 7.373 9.830 253 HB2 TYR 35 1HB TYR 35 3.383 6.676 7.484 254 HB3 TYR 35 2HB TYR 35 5.071 6.955 7.890 255 HD1 TYR 35 HD1 TYR 35 2.545 4.294 7.336 256 HD2 TYR 35 HD2 TYR 35 6.681 5.256 7.596 257 HE1 TYR 35 HE1 TYR 35 3.108 2.079 6.443 258 HE2 TYR 35 HE2 TYR 35 7.255 3.038 6.707 259 HH TYR 35 HH TYR 35 6.440 0.960 6.250 260 H ASN 36 H ASN 36 1.524 7.053 9.004 261 HA ASN 36 HA ASN 36 0.305 4.542 9.942 262 HB2 ASN 36 1HB ASN 36 -0.838 7.340 9.791 263 HB3 ASN 36 2HB ASN 36 -1.796 5.908 10.156 264 HD21 ASN 36 2HD2 ASN 36 0.681 8.073 11.293 265 HD22 ASN 36 1HD2 ASN 36 0.621 7.582 12.954 266 H VAL 37 H VAL 37 -0.743 3.338 8.468 267 HA VAL 37 HA VAL 37 -0.908 4.391 5.756 268 HB VAL 37 HB VAL 37 0.201 2.259 5.931 269 HG11 VAL 37 1HG1 VAL 37 -0.795 1.447 7.994 270 HG12 VAL 37 2HG1 VAL 37 -0.929 0.242 6.713 271 HG13 VAL 37 3HG1 VAL 37 -2.335 1.204 7.168 272 HG21 VAL 37 3HG2 VAL 37 -1.139 0.933 4.365 273 HG22 VAL 37 1HG2 VAL 37 -1.112 2.640 3.926 274 HG23 VAL 37 2HG2 VAL 37 -2.536 1.954 4.705 275 HA PRO 38 HA PRO 38 -5.274 5.037 6.526 276 HB2 PRO 38 1HB PRO 38 -5.333 6.176 3.849 277 HB3 PRO 38 2HB PRO 38 -5.572 6.979 5.402 278 HG2 PRO 38 1HG PRO 38 -3.395 7.405 3.834 279 HG3 PRO 38 2HG PRO 38 -3.361 7.540 5.602 280 HD2 PRO 38 1HD PRO 38 -2.432 5.293 3.853 281 HD3 PRO 38 2HD PRO 38 -1.682 5.973 5.314 282 H MET 39 H MET 39 -6.569 3.331 6.320 283 HA MET 39 HA MET 39 -6.487 1.663 3.947 284 HB2 MET 39 1HB MET 39 -6.684 0.632 6.182 285 HB3 MET 39 2HB MET 39 -8.222 1.453 6.418 286 HG2 MET 39 1HG MET 39 -9.198 0.218 4.580 287 HG3 MET 39 2HG MET 39 -7.650 -0.558 4.252 288 HE1 MET 39 3HE MET 39 -6.451 -2.219 5.985 289 HE2 MET 39 1HE MET 39 -7.162 -2.688 7.530 290 HE3 MET 39 2HE MET 39 -6.625 -1.027 7.273 291 H LYS 40 H LYS 40 -7.612 2.203 2.221 292 HA LYS 40 HA LYS 40 -9.874 4.023 2.447 293 HB2 LYS 40 1HB LYS 40 -8.579 2.872 -0.029 294 HB3 LYS 40 2HB LYS 40 -9.735 4.193 0.027 295 HG2 LYS 40 1HG LYS 40 -8.112 5.565 1.229 296 HG3 LYS 40 2HG LYS 40 -6.953 4.234 1.173 297 HD2 LYS 40 1HD LYS 40 -7.056 4.290 -1.291 298 HD3 LYS 40 2HD LYS 40 -8.144 5.676 -1.192 299 HE2 LYS 40 1HE LYS 40 -6.389 6.947 -0.030 300 HE3 LYS 40 2HE LYS 40 -5.305 5.565 -0.174 301 HZ1 LYS 40 3HZ LYS 40 -5.402 5.754 -2.569 302 HZ2 LYS 40 1HZ LYS 40 -4.921 7.235 -1.904 303 HZ3 LYS 40 2HZ LYS 40 -6.507 7.032 -2.462 304 H LYS 41 H LYS 41 -11.965 3.494 1.970 305 HA LYS 41 HA LYS 41 -12.552 0.667 1.568 306 HB2 LYS 41 1HB LYS 41 -13.907 1.974 3.190 307 HB3 LYS 41 2HB LYS 41 -14.476 2.984 1.866 308 HG2 LYS 41 1HG LYS 41 -15.286 0.765 0.812 309 HG3 LYS 41 2HG LYS 41 -15.095 0.110 2.439 310 HD2 LYS 41 1HD LYS 41 -16.574 1.917 3.285 311 HD3 LYS 41 2HD LYS 41 -16.834 2.433 1.617 312 HE2 LYS 41 1HE LYS 41 -18.682 1.070 2.208 313 HE3 LYS 41 2HE LYS 41 -17.661 0.110 1.138 314 HZ1 LYS 41 3HZ LYS 41 -18.408 -1.189 3.021 315 HZ2 LYS 41 1HZ LYS 41 -17.732 -0.072 4.098 316 HZ3 LYS 41 2HZ LYS 41 -16.726 -0.986 3.091 317 H ILE 42 H ILE 42 -12.019 0.198 -0.509 318 HA ILE 42 HA ILE 42 -12.954 1.835 -2.692 319 HB ILE 42 HB ILE 42 -11.866 -0.976 -2.907 320 HG12 ILE 42 1HG1 ILE 42 -10.303 1.620 -2.833 321 HG13 ILE 42 2HG1 ILE 42 -10.335 0.424 -1.543 322 HG21 ILE 42 1HG2 ILE 42 -12.880 -0.042 -4.926 323 HG22 ILE 42 2HG2 ILE 42 -11.135 -0.209 -5.118 324 HG23 ILE 42 3HG2 ILE 42 -11.839 1.376 -4.801 325 HD11 ILE 42 3HD1 ILE 42 -9.276 -0.020 -4.324 326 HD12 ILE 42 1HD1 ILE 42 -9.290 -1.205 -3.017 327 HD13 ILE 42 2HD1 ILE 42 -8.310 0.253 -2.873 328 H LYS 43 H LYS 43 -14.629 1.329 -4.092 329 HA LYS 43 HA LYS 43 -16.974 0.509 -2.933 330 HB2 LYS 43 1HB LYS 43 -16.871 1.876 -4.943 331 HB3 LYS 43 2HB LYS 43 -16.257 0.511 -5.865 332 HG2 LYS 43 1HG LYS 43 -18.355 -0.676 -5.536 333 HG3 LYS 43 2HG LYS 43 -18.971 0.670 -4.574 334 HD2 LYS 43 1HD LYS 43 -18.809 2.147 -6.496 335 HD3 LYS 43 2HD LYS 43 -18.121 0.841 -7.463 336 HE2 LYS 43 1HE LYS 43 -20.508 1.161 -7.924 337 HE3 LYS 43 2HE LYS 43 -20.174 -0.433 -7.252 338 HZ1 LYS 43 3HZ LYS 43 -20.996 0.247 -5.144 339 HZ2 LYS 43 1HZ LYS 43 -22.151 0.693 -6.303 340 HZ3 LYS 43 2HZ LYS 43 -21.120 1.867 -5.632 341 H GLY 44 H GLY 44 -17.190 -1.416 -1.971 342 HA2 GLY 44 1HA GLY 44 -17.843 -3.604 -1.887 343 HA3 GLY 44 2HA GLY 44 -17.781 -3.647 -3.642 344 H TYR 45 H TYR 45 -15.029 -2.789 -1.645 345 HA TYR 45 HA TYR 45 -13.881 -5.434 -2.234 346 HB2 TYR 45 1HB TYR 45 -12.545 -2.735 -2.117 347 HB3 TYR 45 2HB TYR 45 -11.635 -4.240 -2.013 348 HD1 TYR 45 HD1 TYR 45 -11.488 -5.737 -3.943 349 HD2 TYR 45 HD2 TYR 45 -13.535 -2.020 -4.194 350 HE1 TYR 45 HE1 TYR 45 -11.459 -5.894 -6.396 351 HE2 TYR 45 HE2 TYR 45 -13.511 -2.165 -6.647 352 HH TYR 45 HH TYR 45 -12.188 -3.269 -8.408 353 H THR 46 H THR 46 -13.464 -6.658 -0.572 354 HA THR 46 HA THR 46 -13.353 -5.433 2.095 355 HB THR 46 HB THR 46 -14.052 -8.254 1.253 356 HG1 THR 46 HG1 THR 46 -15.496 -5.998 2.164 357 HG21 THR 46 3HG2 THR 46 -14.551 -8.662 3.628 358 HG22 THR 46 1HG2 THR 46 -13.908 -7.071 4.031 359 HG23 THR 46 2HG2 THR 46 -12.842 -8.313 3.373 360 H LEU 47 H LEU 47 -11.522 -5.651 3.310 361 HA LEU 47 HA LEU 47 -9.120 -6.319 2.000 362 HB2 LEU 47 1HB LEU 47 -9.293 -4.749 3.920 363 HB3 LEU 47 2HB LEU 47 -9.575 -6.121 4.976 364 HG LEU 47 HG LEU 47 -7.324 -7.011 4.242 365 HD11 LEU 47 1HD1 LEU 47 -7.042 -4.217 3.151 366 HD12 LEU 47 2HD1 LEU 47 -7.089 -5.706 2.204 367 HD13 LEU 47 3HD1 LEU 47 -5.746 -5.405 3.306 368 HD21 LEU 47 3HD2 LEU 47 -7.637 -5.960 6.405 369 HD22 LEU 47 1HD2 LEU 47 -7.400 -4.368 5.683 370 HD23 LEU 47 2HD2 LEU 47 -6.070 -5.525 5.722 371 H LEU 48 H LEU 48 -8.247 -8.210 1.598 372 HA LEU 48 HA LEU 48 -9.172 -10.618 2.891 373 HB2 LEU 48 1HB LEU 48 -8.546 -10.587 0.501 374 HB3 LEU 48 2HB LEU 48 -6.907 -10.150 0.937 375 HG LEU 48 HG LEU 48 -6.695 -12.331 2.132 376 HD11 LEU 48 1HD1 LEU 48 -9.336 -12.931 0.807 377 HD12 LEU 48 2HD1 LEU 48 -9.078 -12.720 2.540 378 HD13 LEU 48 3HD1 LEU 48 -8.330 -14.075 1.696 379 HD21 LEU 48 3HD2 LEU 48 -5.844 -12.035 -0.135 380 HD22 LEU 48 1HD2 LEU 48 -7.418 -12.486 -0.792 381 HD23 LEU 48 2HD2 LEU 48 -6.464 -13.670 0.102 382 H LYS 49 H LYS 49 -6.155 -8.804 2.632 383 HA LYS 49 HA LYS 49 -5.327 -8.914 5.260 384 HB2 LYS 49 1HB LYS 49 -5.290 -11.418 4.782 385 HB3 LYS 49 2HB LYS 49 -3.985 -11.100 3.651 386 HG2 LYS 49 1HG LYS 49 -2.657 -10.157 5.517 387 HG3 LYS 49 2HG LYS 49 -3.953 -10.619 6.624 388 HD2 LYS 49 1HD LYS 49 -2.221 -12.308 6.650 389 HD3 LYS 49 2HD LYS 49 -3.680 -12.969 5.906 390 HE2 LYS 49 1HE LYS 49 -2.693 -12.429 3.678 391 HE3 LYS 49 2HE LYS 49 -1.203 -11.979 4.505 392 HZ1 LYS 49 3HZ LYS 49 -2.467 -14.658 4.385 393 HZ2 LYS 49 1HZ LYS 49 -1.197 -14.279 5.448 394 HZ3 LYS 49 2HZ LYS 49 -0.957 -14.189 3.771 395 H TYR 50 H TYR 50 -3.102 -8.109 5.471 396 HA TYR 50 HA TYR 50 -2.143 -6.819 3.036 397 HB2 TYR 50 1HB TYR 50 -0.507 -6.604 5.485 398 HB3 TYR 50 2HB TYR 50 -1.011 -5.353 4.360 399 HD1 TYR 50 HD2 TYR 50 -1.938 -7.282 7.315 400 HD2 TYR 50 HD1 TYR 50 -2.977 -4.050 4.764 401 HE1 TYR 50 HE2 TYR 50 -3.572 -6.489 8.994 402 HE2 TYR 50 HE1 TYR 50 -4.606 -3.243 6.421 403 HH TYR 50 HH TYR 50 -4.667 -4.275 9.600 404 H ASP 51 H ASP 51 -0.188 -7.315 2.084 405 HA ASP 51 HA ASP 51 0.965 -9.854 2.897 406 HB2 ASP 51 1HB ASP 51 0.572 -9.684 0.539 407 HB3 ASP 51 2HB ASP 51 1.343 -8.106 0.457 408 H SER 52 H SER 52 1.528 -6.507 3.089 409 HA SER 52 HA SER 52 4.196 -6.983 4.236 410 HB2 SER 52 1HB SER 52 3.102 -4.321 3.304 411 HB3 SER 52 2HB SER 52 4.778 -4.738 3.659 412 HG SER 52 HG SER 52 4.769 -4.943 1.529 413 H GLU 53 H GLU 53 4.284 -6.820 6.409 414 HA GLU 53 HA GLU 53 2.037 -6.046 7.944 415 HB2 GLU 53 1HB GLU 53 4.910 -6.544 8.721 416 HB3 GLU 53 2HB GLU 53 3.642 -6.187 9.886 417 HG2 GLU 53 1HG GLU 53 2.405 -8.171 9.083 418 HG3 GLU 53 2HG GLU 53 3.764 -8.549 8.027 419 H ILE 54 H ILE 54 1.474 -4.164 8.832 420 HA ILE 54 HA ILE 54 2.825 -1.830 7.758 421 HB ILE 54 HB ILE 54 0.817 -0.601 8.564 422 HG12 ILE 54 1HG1 ILE 54 -0.160 -3.369 9.323 423 HG13 ILE 54 2HG1 ILE 54 0.257 -2.091 10.460 424 HG21 ILE 54 1HG2 ILE 54 -0.717 -1.589 6.916 425 HG22 ILE 54 2HG2 ILE 54 0.305 -3.024 6.842 426 HG23 ILE 54 3HG2 ILE 54 0.930 -1.467 6.299 427 HD11 ILE 54 3HD1 ILE 54 -2.145 -2.274 10.176 428 HD12 ILE 54 1HD1 ILE 54 -1.974 -1.997 8.443 429 HD13 ILE 54 2HD1 ILE 54 -1.558 -0.719 9.586 430 H LEU 55 H LEU 55 4.345 -2.996 9.731 431 HA LEU 55 HA LEU 55 4.177 -0.980 11.870 432 HB2 LEU 55 1HB LEU 55 4.944 -3.887 12.129 433 HB3 LEU 55 2HB LEU 55 5.216 -2.692 13.383 434 HG LEU 55 HG LEU 55 2.510 -3.491 12.304 435 HD11 LEU 55 1HD1 LEU 55 3.860 -4.163 14.915 436 HD12 LEU 55 2HD1 LEU 55 3.548 -5.283 13.589 437 HD13 LEU 55 3HD1 LEU 55 2.201 -4.570 14.475 438 HD21 LEU 55 3HD2 LEU 55 3.273 -1.701 14.609 439 HD22 LEU 55 1HD2 LEU 55 1.634 -2.187 14.179 440 HD23 LEU 55 2HD2 LEU 55 2.572 -1.177 13.079 441 H GLY 56 H GLY 56 5.714 0.408 11.111 442 HA2 GLY 56 1HA GLY 56 8.404 -0.163 11.604 443 HA3 GLY 56 2HA GLY 56 8.123 -0.369 9.883 444 H VAL 57 H VAL 57 9.887 1.447 10.391 445 HA VAL 57 HA VAL 57 8.485 4.032 10.224 446 HB VAL 57 HB VAL 57 10.555 5.102 11.020 447 HG11 VAL 57 1HG1 VAL 57 8.850 4.553 12.649 448 HG12 VAL 57 2HG1 VAL 57 10.452 4.348 13.358 449 HG13 VAL 57 3HG1 VAL 57 9.525 2.935 12.847 450 HG21 VAL 57 3HG2 VAL 57 12.370 3.747 11.965 451 HG22 VAL 57 1HG2 VAL 57 12.174 3.462 10.235 452 HG23 VAL 57 2HG2 VAL 57 11.566 2.283 11.398 453 H PHE 58 H PHE 58 9.746 5.671 8.895 454 HA PHE 58 HA PHE 58 10.234 4.652 6.306 455 HB2 PHE 58 1HB PHE 58 10.871 7.339 7.527 456 HB3 PHE 58 2HB PHE 58 11.117 6.965 5.826 457 HD1 PHE 58 HD2 PHE 58 9.168 6.472 4.384 458 HD2 PHE 58 HD1 PHE 58 8.725 7.852 8.382 459 HE1 PHE 58 HE2 PHE 58 6.845 7.116 3.901 460 HE2 PHE 58 HE1 PHE 58 6.403 8.502 7.906 461 HZ PHE 58 HZ PHE 58 5.458 8.134 5.663 462 H THR 59 H THR 59 11.893 3.352 5.868 463 HA THR 59 HA THR 59 14.514 3.886 7.062 464 HB THR 59 HB THR 59 15.085 1.622 6.047 465 HG1 THR 59 HG1 THR 59 13.615 0.781 4.782 466 HG21 THR 59 3HG2 THR 59 13.937 0.366 7.816 467 HG22 THR 59 1HG2 THR 59 12.858 1.737 8.086 468 HG23 THR 59 2HG2 THR 59 14.583 1.891 8.423 469 H GLU 60 H GLU 60 16.286 2.949 5.313 470 HA GLU 60 HA GLU 60 16.132 4.800 3.077 471 HB2 GLU 60 1HB GLU 60 18.331 3.001 4.099 472 HB3 GLU 60 2HB GLU 60 18.484 3.966 2.637 473 HG2 GLU 60 1HG GLU 60 18.129 5.999 3.947 474 HG3 GLU 60 2HG GLU 60 17.990 5.025 5.411 475 H SER 61 H SER 61 14.444 2.392 3.247 476 HA SER 61 HA SER 61 15.155 1.216 0.664 477 HB2 SER 61 1HB SER 61 14.223 -0.982 1.626 478 HB3 SER 61 2HB SER 61 15.833 -0.495 2.161 479 HG SER 61 HG SER 61 13.914 -1.126 3.720 480 HA PRO 62 HA PRO 62 10.989 2.653 -0.144 481 HB2 PRO 62 1HB PRO 62 11.286 0.833 -2.474 482 HB3 PRO 62 2HB PRO 62 10.838 2.543 -2.432 483 HG2 PRO 62 1HG PRO 62 13.260 1.784 -3.255 484 HG3 PRO 62 2HG PRO 62 13.041 3.252 -2.284 485 HD2 PRO 62 1HD PRO 62 14.048 0.561 -1.455 486 HD3 PRO 62 2HD PRO 62 14.590 2.174 -0.947 487 H GLN 63 H GLN 63 9.589 1.726 1.240 488 HA GLN 63 HA GLN 63 9.373 -1.157 1.398 489 HB2 GLN 63 1HB GLN 63 7.697 0.820 2.935 490 HB3 GLN 63 2HB GLN 63 8.139 -0.821 3.387 491 HG2 GLN 63 1HG GLN 63 10.485 -0.085 3.620 492 HG3 GLN 63 2HG GLN 63 9.973 1.564 3.267 493 HE21 GLN 63 2HE2 GLN 63 11.289 0.671 5.620 494 HE22 GLN 63 1HE2 GLN 63 10.221 0.973 6.948 495 H THR 64 H THR 64 8.148 -2.143 -0.074 496 HA THR 64 HA THR 64 5.807 -0.826 -1.171 497 HB THR 64 HB THR 64 6.857 -3.610 -1.737 498 HG1 THR 64 HG1 THR 64 7.700 -1.123 -2.540 499 HG21 THR 64 3HG2 THR 64 4.937 -1.851 -3.275 500 HG22 THR 64 1HG2 THR 64 4.504 -3.289 -2.351 501 HG23 THR 64 2HG2 THR 64 5.520 -3.435 -3.784 502 H ILE 65 H ILE 65 4.067 -0.817 0.098 503 HA ILE 65 HA ILE 65 3.497 -3.104 1.819 504 HB ILE 65 HB ILE 65 1.994 -0.490 1.572 505 HG12 ILE 65 1HG1 ILE 65 3.996 -1.400 3.656 506 HG13 ILE 65 2HG1 ILE 65 4.289 -0.178 2.420 507 HG21 ILE 65 1HG2 ILE 65 0.606 -2.313 2.401 508 HG22 ILE 65 2HG2 ILE 65 0.946 -1.153 3.686 509 HG23 ILE 65 3HG2 ILE 65 1.812 -2.689 3.631 510 HD11 ILE 65 3HD1 ILE 65 2.551 1.226 3.406 511 HD12 ILE 65 1HD1 ILE 65 3.822 0.844 4.566 512 HD13 ILE 65 2HD1 ILE 65 2.273 0.004 4.647 513 H ASN 66 H ASN 66 2.604 -4.738 0.736 514 HA ASN 66 HA ASN 66 0.706 -4.255 -1.401 515 HB2 ASN 66 1HB ASN 66 1.791 -6.801 -0.185 516 HB3 ASN 66 2HB ASN 66 0.598 -6.776 -1.478 517 HD21 ASN 66 2HD2 ASN 66 3.310 -7.863 -1.413 518 HD22 ASN 66 1HD2 ASN 66 4.148 -7.089 -2.727 519 H ILE 67 H ILE 67 -1.216 -3.553 -0.722 520 HA ILE 67 HA ILE 67 -2.506 -4.940 1.527 521 HB ILE 67 HB ILE 67 -3.288 -2.350 0.168 522 HG12 ILE 67 1HG1 ILE 67 -2.019 -2.865 2.869 523 HG13 ILE 67 2HG1 ILE 67 -1.215 -2.153 1.474 524 HG21 ILE 67 1HG2 ILE 67 -4.870 -2.097 2.023 525 HG22 ILE 67 2HG2 ILE 67 -4.418 -3.693 2.620 526 HG23 ILE 67 3HG2 ILE 67 -5.220 -3.532 1.058 527 HD11 ILE 67 3HD1 ILE 67 -3.529 -0.960 2.981 528 HD12 ILE 67 1HD1 ILE 67 -2.729 -0.242 1.583 529 HD13 ILE 67 2HD1 ILE 67 -1.842 -0.461 3.092 530 H ILE 68 H ILE 68 -3.717 -6.621 0.902 531 HA ILE 68 HA ILE 68 -4.703 -6.642 -1.855 532 HB ILE 68 HB ILE 68 -4.400 -8.910 0.120 533 HG12 ILE 68 1HG1 ILE 68 -2.869 -8.295 -2.418 534 HG13 ILE 68 2HG1 ILE 68 -2.280 -7.963 -0.792 535 HG21 ILE 68 1HG2 ILE 68 -5.266 -8.963 -2.770 536 HG22 ILE 68 2HG2 ILE 68 -6.277 -9.320 -1.370 537 HG23 ILE 68 3HG2 ILE 68 -4.927 -10.380 -1.777 538 HD11 ILE 68 3HD1 ILE 68 -1.310 -9.997 -1.692 539 HD12 ILE 68 1HD1 ILE 68 -2.921 -10.679 -1.917 540 HD13 ILE 68 2HD1 ILE 68 -2.322 -10.348 -0.292 541 H TYR 69 H TYR 69 -6.713 -6.048 -2.179 542 HA TYR 69 HA TYR 69 -8.734 -6.622 -0.126 543 HB2 TYR 69 1HB TYR 69 -8.828 -4.792 -2.534 544 HB3 TYR 69 2HB TYR 69 -10.202 -5.112 -1.485 545 HD1 TYR 69 HD2 TYR 69 -9.929 -4.514 1.010 546 HD2 TYR 69 HD1 TYR 69 -7.359 -3.057 -2.050 547 HE1 TYR 69 HE2 TYR 69 -9.238 -2.665 2.478 548 HE2 TYR 69 HE1 TYR 69 -6.668 -1.207 -0.593 549 HH TYR 69 HH TYR 69 -7.318 -1.134 2.723 550 H GLN 70 H GLN 70 -10.401 -7.980 -0.536 551 HA GLN 70 HA GLN 70 -10.267 -9.491 -3.038 552 HB2 GLN 70 1HB GLN 70 -10.287 -10.681 -0.808 553 HB3 GLN 70 2HB GLN 70 -11.923 -10.080 -0.575 554 HG2 GLN 70 1HG GLN 70 -12.622 -11.258 -2.614 555 HG3 GLN 70 2HG GLN 70 -10.989 -11.901 -2.780 556 HE21 GLN 70 2HE2 GLN 70 -13.448 -13.346 -2.507 557 HE22 GLN 70 1HE2 GLN 70 -13.314 -14.301 -1.069 558 H LYS 71 H LYS 71 -11.803 -9.290 -4.556 559 HA LYS 71 HA LYS 71 -13.697 -7.182 -4.409 560 HB2 LYS 71 1HB LYS 71 -12.575 -8.318 -6.481 561 HB3 LYS 71 2HB LYS 71 -13.904 -9.460 -6.361 562 HG2 LYS 71 1HG LYS 71 -15.490 -7.563 -6.553 563 HG3 LYS 71 2HG LYS 71 -14.112 -6.489 -6.809 564 HD2 LYS 71 1HD LYS 71 -13.465 -7.910 -8.759 565 HD3 LYS 71 2HD LYS 71 -14.970 -8.803 -8.542 566 HE2 LYS 71 1HE LYS 71 -15.458 -7.233 -10.205 567 HE3 LYS 71 2HE LYS 71 -16.135 -6.539 -8.734 568 HZ1 LYS 71 3HZ LYS 71 -13.510 -5.813 -9.928 569 HZ2 LYS 71 1HZ LYS 71 -14.190 -5.115 -8.546 570 HZ3 LYS 71 2HZ LYS 71 -14.927 -4.895 -10.055 571 H LYS 72 H LYS 72 -15.585 -7.205 -3.367 572 HA LYS 72 HA LYS 72 -16.488 -9.313 -1.831 573 HB2 LYS 72 1HB LYS 72 -17.584 -6.730 -2.701 574 HB3 LYS 72 2HB LYS 72 -18.795 -7.920 -2.243 575 HG2 LYS 72 1HG LYS 72 -17.796 -8.162 -0.064 576 HG3 LYS 72 2HG LYS 72 -16.473 -7.085 -0.519 577 HD2 LYS 72 1HD LYS 72 -17.857 -5.208 -0.564 578 HD3 LYS 72 2HD LYS 72 -19.329 -6.177 -0.654 579 HE2 LYS 72 1HE LYS 72 -17.489 -5.928 1.721 580 HE3 LYS 72 2HE LYS 72 -19.070 -5.170 1.547 581 HZ1 LYS 72 3HZ LYS 72 -18.476 -8.071 1.786 582 HZ2 LYS 72 1HZ LYS 72 -20.002 -7.471 1.344 583 HZ3 LYS 72 2HZ LYS 72 -19.352 -7.099 2.862 584 H ALA 73 H ALA 73 -17.493 -8.409 -5.092 585 HA ALA 73 HA ALA 73 -18.652 -9.509 -6.710 586 HB1 ALA 73 3HB ALA 73 -17.994 -11.951 -5.049 587 HB2 ALA 73 1HB ALA 73 -16.982 -11.264 -6.320 588 HB3 ALA 73 2HB ALA 73 -18.553 -11.960 -6.722 589 HA PRO 74 HA PRO 74 -22.893 -10.272 -5.342 590 HB2 PRO 74 1HB PRO 74 -22.934 -13.008 -6.481 591 HB3 PRO 74 2HB PRO 74 -24.008 -11.640 -6.799 592 HG2 PRO 74 1HG PRO 74 -22.190 -12.418 -8.598 593 HG3 PRO 74 2HG PRO 74 -22.571 -10.703 -8.351 594 HD2 PRO 74 1HD PRO 74 -20.215 -12.282 -7.401 595 HD3 PRO 74 2HD PRO 74 -20.285 -10.615 -8.009 596 H GLU 75 H GLU 75 -22.514 -10.413 -3.124 597 HA GLU 75 HA GLU 75 -21.606 -12.740 -1.814 598 HB2 GLU 75 1HB GLU 75 -23.301 -10.470 -0.761 599 HB3 GLU 75 2HB GLU 75 -22.544 -11.705 0.238 600 HG2 GLU 75 1HG GLU 75 -20.338 -10.968 -0.718 601 HG3 GLU 75 2HG GLU 75 -21.195 -9.601 -1.428 602 H GLN 76 H GLN 76 -22.580 -14.574 -1.375 603 HA GLN 76 HA GLN 76 -24.081 -16.258 -1.515 604 HB2 GLN 76 1HB GLN 76 -26.015 -14.028 -0.907 605 HB3 GLN 76 2HB GLN 76 -26.540 -15.688 -1.145 606 HG2 GLN 76 1HG GLN 76 -25.089 -16.380 0.721 607 HG3 GLN 76 2HG GLN 76 -24.664 -14.687 0.983 608 HE21 GLN 76 2HE2 GLN 76 -26.047 -16.625 2.717 609 HE22 GLN 76 1HE2 GLN 76 -27.549 -15.876 3.132 610 H ALA 77 H ALA 77 -23.249 -16.116 -3.766 611 HA ALA 77 HA ALA 77 -24.984 -15.107 -5.805 612 HB1 ALA 77 3HB ALA 77 -23.474 -16.254 -7.355 613 HB2 ALA 77 1HB ALA 77 -22.685 -17.057 -5.996 614 HB3 ALA 77 2HB ALA 77 -22.574 -15.305 -6.171 615 H LEU 78 H LEU 78 -25.619 -16.785 -7.611 616 HA LEU 78 HA LEU 78 -27.409 -18.646 -6.308 617 HB2 LEU 78 1HB LEU 78 -27.003 -17.997 -9.229 618 HB3 LEU 78 2HB LEU 78 -28.259 -19.050 -8.602 619 HG LEU 78 HG LEU 78 -27.973 -16.092 -8.060 620 HD11 LEU 78 1HD1 LEU 78 -28.791 -16.603 -10.296 621 HD12 LEU 78 2HD1 LEU 78 -30.064 -15.904 -9.296 622 HD13 LEU 78 3HD1 LEU 78 -30.043 -17.639 -9.609 623 HD21 LEU 78 3HD2 LEU 78 -30.091 -16.288 -6.860 624 HD22 LEU 78 1HD2 LEU 78 -28.830 -17.256 -6.098 625 HD23 LEU 78 2HD2 LEU 78 -30.063 -18.037 -7.088 626 H GLU 79 H GLU 79 -24.404 -19.027 -6.468 627 HA GLU 79 HA GLU 79 -24.464 -21.770 -7.538 628 HB2 GLU 79 1HB GLU 79 -22.024 -20.014 -7.243 629 HB3 GLU 79 2HB GLU 79 -22.084 -21.615 -7.957 630 HG2 GLU 79 1HG GLU 79 -23.599 -20.660 -9.713 631 HG3 GLU 79 2HG GLU 79 -23.229 -19.068 -9.052 632 H HIS 80 H HIS 80 -24.038 -23.359 -6.113 633 HA HIS 80 HA HIS 80 -22.710 -22.603 -3.599 634 HB2 HIS 80 1HB HIS 80 -24.588 -24.884 -4.216 635 HB3 HIS 80 2HB HIS 80 -23.599 -24.840 -2.759 636 HD1 HIS 80 HD1 HIS 80 -26.863 -23.971 -3.897 637 HD2 HIS 80 HD2 HIS 80 -24.121 -22.259 -1.278 638 HE1 HIS 80 HE1 HIS 80 -28.189 -22.381 -2.466 639 HE2 HIS 80 HE2 HIS 80 -26.486 -21.244 -0.991 640 H HIS 81 H HIS 81 -20.616 -22.852 -3.888 641 HA HIS 81 HA HIS 81 -19.574 -24.682 -5.836 642 HB2 HIS 81 1HB HIS 81 -18.145 -22.911 -3.839 643 HB3 HIS 81 2HB HIS 81 -17.358 -23.816 -5.130 644 HD1 HIS 81 HD1 HIS 81 -17.778 -20.553 -4.597 645 HD2 HIS 81 HD2 HIS 81 -19.343 -22.968 -7.604 646 HE1 HIS 81 HE1 HIS 81 -18.351 -18.997 -6.491 647 HE2 HIS 81 HE2 HIS 81 -19.491 -20.452 -8.210 648 H HIS 82 H HIS 82 -18.743 -26.638 -5.548 649 HA HIS 82 HA HIS 82 -19.340 -27.903 -3.012 650 HB2 HIS 82 1HB HIS 82 -18.238 -29.117 -5.556 651 HB3 HIS 82 2HB HIS 82 -18.883 -30.002 -4.179 652 HD1 HIS 82 HD1 HIS 82 -19.820 -28.870 -7.415 653 HD2 HIS 82 HD2 HIS 82 -21.779 -29.228 -3.763 654 HE1 HIS 82 HE1 HIS 82 -22.279 -28.853 -7.956 655 HE2 HIS 82 HE2 HIS 82 -23.421 -29.331 -5.759 656 H HIS 83 H HIS 83 -16.664 -26.410 -4.346 657 HA HIS 83 HA HIS 83 -14.908 -27.815 -2.472 658 HB2 HIS 83 1HB HIS 83 -14.448 -27.387 -5.398 659 HB3 HIS 83 2HB HIS 83 -13.079 -27.449 -4.292 660 HD1 HIS 83 HD1 HIS 83 -15.184 -29.567 -6.295 661 HD2 HIS 83 HD2 HIS 83 -13.089 -29.967 -2.724 662 HE1 HIS 83 HE1 HIS 83 -14.943 -32.049 -5.920 663 HE2 HIS 83 HE2 HIS 83 -13.799 -32.262 -3.678 664 H HIS 84 H HIS 84 -14.349 -26.376 -1.040 665 HA HIS 84 HA HIS 84 -13.159 -23.865 -2.035 666 HB2 HIS 84 1HB HIS 84 -15.277 -23.839 -0.429 667 HB3 HIS 84 2HB HIS 84 -14.057 -24.120 0.808 668 HD1 HIS 84 HD1 HIS 84 -15.891 -21.467 -0.068 669 HD2 HIS 84 HD2 HIS 84 -11.767 -22.012 -0.194 670 HE1 HIS 84 HE1 HIS 84 -14.896 -19.154 -0.042 671 HE2 HIS 84 HE2 HIS 84 -12.405 -19.499 -0.232 672 H HIS 85 H HIS 85 -12.944 -26.717 -0.113 673 HA HIS 85 HA HIS 85 -10.100 -26.157 0.401 674 HB2 HIS 85 1HB HIS 85 -12.156 -27.572 2.061 675 HB3 HIS 85 2HB HIS 85 -10.471 -28.068 2.172 676 HD1 HIS 85 HD1 HIS 85 -9.259 -26.964 3.982 677 HD2 HIS 85 HD2 HIS 85 -12.318 -24.567 2.499 678 HE1 HIS 85 HE1 HIS 85 -9.236 -24.879 5.396 679 HE2 HIS 85 HE2 HIS 85 -11.208 -23.526 4.593 Start of MODEL 11 1 H1 MET 1 1H MET 1 23.859 22.484 -1.029 2 H2 MET 1 2H MET 1 22.170 22.421 -1.206 3 H3 MET 1 3H MET 1 23.068 23.582 -2.055 4 HA MET 1 HA MET 1 22.394 21.799 -3.512 5 HB2 MET 1 1HB MET 1 25.347 21.919 -2.881 6 HB3 MET 1 2HB MET 1 24.691 21.103 -4.293 7 HG2 MET 1 1HG MET 1 23.729 23.220 -5.060 8 HG3 MET 1 2HG MET 1 24.419 24.031 -3.656 9 HE1 MET 1 3HE MET 1 25.177 22.128 -6.996 10 HE2 MET 1 1HE MET 1 26.062 21.163 -5.815 11 HE3 MET 1 2HE MET 1 26.941 22.112 -7.015 12 H ASP 2 H ASP 2 22.976 20.801 -0.449 13 HA ASP 2 HA ASP 2 23.465 18.006 -1.121 14 HB2 ASP 2 1HB ASP 2 24.673 18.880 0.800 15 HB3 ASP 2 2HB ASP 2 23.166 19.400 1.549 16 H PHE 3 H PHE 3 21.918 16.528 -1.253 17 HA PHE 3 HA PHE 3 19.267 17.164 -0.143 18 HB2 PHE 3 1HB PHE 3 19.895 15.890 -2.814 19 HB3 PHE 3 2HB PHE 3 18.291 15.931 -2.096 20 HD1 PHE 3 HD1 PHE 3 20.964 17.961 -3.590 21 HD2 PHE 3 HD2 PHE 3 16.964 17.903 -2.141 22 HE1 PHE 3 HE1 PHE 3 20.559 20.151 -4.633 23 HE2 PHE 3 HE2 PHE 3 16.550 20.092 -3.183 24 HZ PHE 3 HZ PHE 3 18.351 21.221 -4.431 25 H GLY 4 H GLY 4 18.277 15.553 0.952 26 HA2 GLY 4 1HA GLY 4 19.736 13.067 1.356 27 HA3 GLY 4 2HA GLY 4 18.290 13.586 2.215 28 H LYS 5 H LYS 5 17.871 11.185 1.718 29 HA LYS 5 HA LYS 5 16.652 10.949 -0.955 30 HB2 LYS 5 1HB LYS 5 17.323 8.769 1.031 31 HB3 LYS 5 2HB LYS 5 16.651 8.529 -0.575 32 HG2 LYS 5 1HG LYS 5 18.701 9.540 -1.534 33 HG3 LYS 5 2HG LYS 5 19.377 9.614 0.096 34 HD2 LYS 5 1HD LYS 5 18.526 7.126 -1.386 35 HD3 LYS 5 2HD LYS 5 20.181 7.636 -1.051 36 HE2 LYS 5 1HE LYS 5 19.824 7.382 1.321 37 HE3 LYS 5 2HE LYS 5 18.123 7.006 1.059 38 HZ1 LYS 5 3HZ LYS 5 20.432 5.371 0.159 39 HZ2 LYS 5 1HZ LYS 5 18.806 5.015 -0.151 40 HZ3 LYS 5 2HZ LYS 5 19.391 5.006 1.441 41 HA PRO 6 HA PRO 6 12.759 11.439 1.263 42 HB2 PRO 6 1HB PRO 6 11.656 10.975 -1.430 43 HB3 PRO 6 2HB PRO 6 11.424 12.351 -0.349 44 HG2 PRO 6 1HG PRO 6 12.908 12.543 -2.583 45 HG3 PRO 6 2HG PRO 6 13.319 13.434 -1.106 46 HD2 PRO 6 1HD PRO 6 14.530 10.929 -2.209 47 HD3 PRO 6 2HD PRO 6 15.321 12.318 -1.431 48 H ASN 7 H ASN 7 12.458 9.600 2.399 49 HA ASN 7 HA ASN 7 12.516 7.011 1.220 50 HB2 ASN 7 1HB ASN 7 11.653 7.968 3.954 51 HB3 ASN 7 2HB ASN 7 11.684 6.270 3.487 52 HD21 ASN 7 2HD2 ASN 7 13.213 7.797 5.506 53 HD22 ASN 7 1HD2 ASN 7 14.875 7.487 5.150 54 H GLN 8 H GLN 8 10.988 6.085 0.105 55 HA GLN 8 HA GLN 8 8.272 7.195 0.272 56 HB2 GLN 8 1HB GLN 8 9.767 5.956 -2.039 57 HB3 GLN 8 2HB GLN 8 8.061 6.380 -2.094 58 HG2 GLN 8 1HG GLN 8 8.476 8.628 -2.137 59 HG3 GLN 8 2HG GLN 8 10.020 8.470 -1.300 60 HE21 GLN 8 2HE2 GLN 8 9.312 9.874 -3.789 61 HE22 GLN 8 1HE2 GLN 8 10.383 9.234 -4.990 62 H VAL 9 H VAL 9 6.901 5.923 1.268 63 HA VAL 9 HA VAL 9 7.152 3.014 1.008 64 HB VAL 9 HB VAL 9 5.358 4.662 2.808 65 HG11 VAL 9 1HG1 VAL 9 4.251 2.595 2.210 66 HG12 VAL 9 2HG1 VAL 9 4.810 2.511 3.881 67 HG13 VAL 9 3HG1 VAL 9 5.700 1.673 2.610 68 HG21 VAL 9 3HG2 VAL 9 7.808 3.004 3.387 69 HG22 VAL 9 1HG2 VAL 9 6.753 3.705 4.614 70 HG23 VAL 9 2HG2 VAL 9 7.657 4.755 3.523 71 H THR 10 H THR 10 6.100 2.106 -0.610 72 HA THR 10 HA THR 10 3.960 3.579 -1.931 73 HB THR 10 HB THR 10 5.154 0.957 -2.830 74 HG1 THR 10 HG1 THR 10 6.418 3.294 -2.564 75 HG21 THR 10 3HG2 THR 10 4.487 1.771 -5.051 76 HG22 THR 10 1HG2 THR 10 3.834 3.236 -4.317 77 HG23 THR 10 2HG2 THR 10 3.104 1.669 -3.962 78 H VAL 11 H VAL 11 2.009 3.274 -1.109 79 HA VAL 11 HA VAL 11 1.190 0.705 -0.030 80 HB VAL 11 HB VAL 11 -0.329 3.305 -0.348 81 HG11 VAL 11 1HG1 VAL 11 -1.112 0.807 1.147 82 HG12 VAL 11 2HG1 VAL 11 -1.839 1.387 -0.352 83 HG13 VAL 11 3HG1 VAL 11 -2.006 2.329 1.129 84 HG21 VAL 11 3HG2 VAL 11 0.931 2.040 2.082 85 HG22 VAL 11 1HG2 VAL 11 -0.059 3.501 2.088 86 HG23 VAL 11 2HG2 VAL 11 1.492 3.488 1.247 87 H ASN 12 H ASN 12 0.509 -0.826 -1.373 88 HA ASN 12 HA ASN 12 -0.620 -0.047 -3.967 89 HB2 ASN 12 1HB ASN 12 0.655 -2.609 -3.008 90 HB3 ASN 12 2HB ASN 12 -0.219 -2.495 -4.532 91 HD21 ASN 12 2HD2 ASN 12 2.574 -3.107 -4.029 92 HD22 ASN 12 1HD2 ASN 12 3.487 -1.929 -4.905 93 H TYR 13 H TYR 13 -2.738 -0.051 -4.097 94 HA TYR 13 HA TYR 13 -4.343 -1.693 -2.327 95 HB2 TYR 13 1HB TYR 13 -5.116 0.272 -4.495 96 HB3 TYR 13 2HB TYR 13 -6.268 -0.585 -3.475 97 HD1 TYR 13 HD2 TYR 13 -3.754 2.083 -3.594 98 HD2 TYR 13 HD1 TYR 13 -6.541 0.012 -1.136 99 HE1 TYR 13 HE2 TYR 13 -3.578 3.861 -1.906 100 HE2 TYR 13 HE1 TYR 13 -6.375 1.785 0.560 101 HH TYR 13 HH TYR 13 -4.904 3.529 1.260 102 H LEU 14 H LEU 14 -3.942 -3.767 -2.951 103 HA LEU 14 HA LEU 14 -4.153 -4.487 -5.770 104 HB2 LEU 14 1HB LEU 14 -3.378 -6.159 -3.376 105 HB3 LEU 14 2HB LEU 14 -3.251 -6.645 -5.056 106 HG LEU 14 HG LEU 14 -1.712 -4.360 -3.818 107 HD11 LEU 14 1HD1 LEU 14 -1.008 -6.487 -2.877 108 HD12 LEU 14 2HD1 LEU 14 0.225 -5.844 -3.964 109 HD13 LEU 14 3HD1 LEU 14 -0.825 -7.157 -4.498 110 HD21 LEU 14 3HD2 LEU 14 -0.397 -4.480 -5.888 111 HD22 LEU 14 1HD2 LEU 14 -2.084 -4.069 -6.196 112 HD23 LEU 14 2HD2 LEU 14 -1.504 -5.706 -6.506 113 H ASP 15 H ASP 15 -5.428 -6.350 -6.397 114 HA ASP 15 HA ASP 15 -7.535 -7.170 -4.559 115 HB2 ASP 15 1HB ASP 15 -8.835 -5.552 -5.553 116 HB3 ASP 15 2HB ASP 15 -7.943 -5.619 -7.068 117 H GLU 16 H GLU 16 -7.432 -9.257 -4.519 118 HA GLU 16 HA GLU 16 -7.561 -11.430 -5.110 119 HB2 GLU 16 1HB GLU 16 -9.598 -10.492 -6.149 120 HB3 GLU 16 2HB GLU 16 -8.715 -10.320 -7.658 121 HG2 GLU 16 1HG GLU 16 -8.445 -12.699 -7.826 122 HG3 GLU 16 2HG GLU 16 -9.190 -12.925 -6.242 123 H ASN 17 H ASN 17 -6.979 -10.218 -8.393 124 HA ASN 17 HA ASN 17 -5.076 -12.334 -8.867 125 HB2 ASN 17 1HB ASN 17 -6.059 -10.081 -10.633 126 HB3 ASN 17 2HB ASN 17 -4.972 -11.358 -11.167 127 HD21 ASN 17 2HD2 ASN 17 -8.215 -10.536 -10.255 128 HD22 ASN 17 1HD2 ASN 17 -8.954 -12.010 -10.782 129 H ASN 18 H ASN 18 -4.641 -9.795 -7.104 130 HA ASN 18 HA ASN 18 -2.765 -8.795 -6.289 131 HB2 ASN 18 1HB ASN 18 -1.655 -10.973 -6.923 132 HB3 ASN 18 2HB ASN 18 -1.222 -10.240 -8.461 133 HD21 ASN 18 2HD2 ASN 18 0.970 -10.491 -8.052 134 HD22 ASN 18 1HD2 ASN 18 1.810 -9.499 -6.910 135 H THR 19 H THR 19 -4.405 -7.875 -8.639 136 HA THR 19 HA THR 19 -2.534 -6.047 -9.947 137 HB THR 19 HB THR 19 -5.490 -6.342 -10.498 138 HG1 THR 19 HG1 THR 19 -3.286 -7.915 -11.319 139 HG21 THR 19 3HG2 THR 19 -4.404 -4.342 -11.416 140 HG22 THR 19 1HG2 THR 19 -4.886 -5.454 -12.698 141 HG23 THR 19 2HG2 THR 19 -3.196 -5.360 -12.201 142 H SER 20 H SER 20 -2.571 -3.868 -9.606 143 HA SER 20 HA SER 20 -3.925 -2.880 -7.281 144 HB2 SER 20 1HB SER 20 -2.398 -1.308 -9.373 145 HB3 SER 20 2HB SER 20 -2.767 -0.795 -7.727 146 HG SER 20 HG SER 20 -1.285 -3.145 -8.237 147 H ILE 21 H ILE 21 -6.046 -2.499 -7.346 148 HA ILE 21 HA ILE 21 -7.342 -1.609 -9.785 149 HB ILE 21 HB ILE 21 -9.422 -1.622 -8.401 150 HG12 ILE 21 1HG1 ILE 21 -7.593 -2.774 -6.281 151 HG13 ILE 21 2HG1 ILE 21 -8.350 -1.185 -6.218 152 HG21 ILE 21 1HG2 ILE 21 -9.526 -4.080 -8.207 153 HG22 ILE 21 2HG2 ILE 21 -7.780 -4.150 -8.445 154 HG23 ILE 21 3HG2 ILE 21 -8.822 -3.546 -9.733 155 HD11 ILE 21 3HD1 ILE 21 -10.546 -2.223 -6.148 156 HD12 ILE 21 1HD1 ILE 21 -9.524 -2.808 -4.836 157 HD13 ILE 21 2HD1 ILE 21 -9.804 -3.819 -6.253 158 H ALA 22 H ALA 22 -5.806 -0.191 -7.170 159 HA ALA 22 HA ALA 22 -6.881 2.427 -7.942 160 HB1 ALA 22 3HB ALA 22 -6.798 3.183 -5.620 161 HB2 ALA 22 1HB ALA 22 -6.289 1.576 -5.102 162 HB3 ALA 22 2HB ALA 22 -7.895 1.813 -5.790 163 HA PRO 23 HA PRO 23 -2.676 3.447 -8.761 164 HB2 PRO 23 1HB PRO 23 -2.755 6.079 -7.814 165 HB3 PRO 23 2HB PRO 23 -3.141 5.553 -9.454 166 HG2 PRO 23 1HG PRO 23 -4.960 6.164 -7.179 167 HG3 PRO 23 2HG PRO 23 -5.189 6.451 -8.914 168 HD2 PRO 23 1HD PRO 23 -6.438 4.445 -7.651 169 HD3 PRO 23 2HD PRO 23 -5.841 4.263 -9.314 170 H SER 24 H SER 24 -0.794 3.307 -7.708 171 HA SER 24 HA SER 24 -0.716 2.592 -5.012 172 HB2 SER 24 1HB SER 24 1.535 3.573 -6.778 173 HB3 SER 24 2HB SER 24 1.729 2.694 -5.261 174 HG SER 24 HG SER 24 1.008 0.880 -6.184 175 H LEU 25 H LEU 25 -0.547 3.689 -3.184 176 HA LEU 25 HA LEU 25 -0.286 6.603 -3.312 177 HB2 LEU 25 1HB LEU 25 -2.182 5.691 -2.068 178 HB3 LEU 25 2HB LEU 25 -1.097 4.756 -1.064 179 HG LEU 25 HG LEU 25 -0.149 6.880 -0.181 180 HD11 LEU 25 1HD1 LEU 25 -2.424 8.139 -1.708 181 HD12 LEU 25 2HD1 LEU 25 -0.706 8.338 -2.052 182 HD13 LEU 25 3HD1 LEU 25 -1.381 8.956 -0.545 183 HD21 LEU 25 3HD2 LEU 25 -3.126 6.530 0.145 184 HD22 LEU 25 1HD2 LEU 25 -2.059 7.392 1.254 185 HD23 LEU 25 2HD2 LEU 25 -1.878 5.652 1.028 186 H TYR 26 H TYR 26 1.781 7.249 -3.270 187 HA TYR 26 HA TYR 26 3.706 5.692 -1.716 188 HB2 TYR 26 1HB TYR 26 5.406 7.107 -2.997 189 HB3 TYR 26 2HB TYR 26 4.479 5.938 -3.928 190 HD1 TYR 26 HD2 TYR 26 2.596 6.740 -5.368 191 HD2 TYR 26 HD1 TYR 26 5.286 9.435 -3.472 192 HE1 TYR 26 HE2 TYR 26 1.878 8.520 -6.899 193 HE2 TYR 26 HE1 TYR 26 4.574 11.226 -4.998 194 HH TYR 26 HH TYR 26 1.804 11.086 -6.811 195 H LEU 27 H LEU 27 4.022 6.323 0.267 196 HA LEU 27 HA LEU 27 3.617 9.091 1.045 197 HB2 LEU 27 1HB LEU 27 4.355 6.634 2.637 198 HB3 LEU 27 2HB LEU 27 4.122 8.225 3.336 199 HG LEU 27 HG LEU 27 1.992 6.706 1.842 200 HD11 LEU 27 1HD1 LEU 27 2.386 7.037 4.813 201 HD12 LEU 27 2HD1 LEU 27 2.613 5.544 3.901 202 HD13 LEU 27 3HD1 LEU 27 1.008 6.264 4.029 203 HD21 LEU 27 3HD2 LEU 27 1.703 9.126 1.801 204 HD22 LEU 27 1HD2 LEU 27 1.860 9.182 3.557 205 HD23 LEU 27 2HD2 LEU 27 0.484 8.361 2.820 206 H SER 28 H SER 28 5.179 10.516 0.998 207 HA SER 28 HA SER 28 7.968 9.612 0.974 208 HB2 SER 28 1HB SER 28 7.131 11.120 -0.864 209 HB3 SER 28 2HB SER 28 6.880 12.373 0.349 210 HG SER 28 HG SER 28 8.874 12.822 -0.309 211 H GLY 29 H GLY 29 9.017 9.655 2.863 212 HA2 GLY 29 1HA GLY 29 8.531 11.892 4.693 213 HA3 GLY 29 2HA GLY 29 8.270 10.264 5.302 214 H LEU 30 H LEU 30 9.945 11.241 6.819 215 HA LEU 30 HA LEU 30 12.666 11.044 5.745 216 HB2 LEU 30 1HB LEU 30 11.678 11.995 8.436 217 HB3 LEU 30 2HB LEU 30 13.351 12.001 7.915 218 HG LEU 30 HG LEU 30 11.122 13.622 6.679 219 HD11 LEU 30 1HD1 LEU 30 13.446 14.436 8.415 220 HD12 LEU 30 2HD1 LEU 30 11.742 14.446 8.875 221 HD13 LEU 30 3HD1 LEU 30 12.325 15.539 7.619 222 HD21 LEU 30 3HD2 LEU 30 12.782 12.990 5.022 223 HD22 LEU 30 1HD2 LEU 30 14.077 13.558 6.076 224 HD23 LEU 30 2HD2 LEU 30 12.916 14.705 5.407 225 H PHE 31 H PHE 31 14.279 9.970 7.289 226 HA PHE 31 HA PHE 31 13.567 7.258 7.503 227 HB2 PHE 31 1HB PHE 31 15.871 7.844 7.149 228 HB3 PHE 31 2HB PHE 31 15.918 8.772 8.646 229 HD1 PHE 31 HD2 PHE 31 15.337 5.316 7.388 230 HD2 PHE 31 HD1 PHE 31 16.684 7.782 10.583 231 HE1 PHE 31 HE2 PHE 31 16.078 3.317 8.614 232 HE2 PHE 31 HE1 PHE 31 17.425 5.788 11.816 233 HZ PHE 31 HZ PHE 31 17.122 3.552 10.832 234 H ASN 32 H ASN 32 12.795 6.040 9.079 235 HA ASN 32 HA ASN 32 12.165 5.265 11.114 236 HB2 ASN 32 1HB ASN 32 14.441 6.134 11.800 237 HB3 ASN 32 2HB ASN 32 13.634 7.595 12.356 238 HD21 ASN 32 2HD2 ASN 32 14.176 7.332 14.470 239 HD22 ASN 32 1HD2 ASN 32 13.520 6.075 15.474 240 H GLU 33 H GLU 33 10.915 7.731 9.654 241 HA GLU 33 HA GLU 33 9.384 8.932 11.791 242 HB2 GLU 33 1HB GLU 33 9.983 10.320 9.900 243 HB3 GLU 33 2HB GLU 33 9.217 9.198 8.784 244 HG2 GLU 33 1HG GLU 33 7.044 9.723 9.695 245 HG3 GLU 33 2HG GLU 33 7.778 10.773 10.904 246 H ALA 34 H ALA 34 7.465 8.264 12.510 247 HA ALA 34 HA ALA 34 6.345 5.806 11.552 248 HB1 ALA 34 3HB ALA 34 6.324 6.377 13.933 249 HB2 ALA 34 1HB ALA 34 4.692 6.108 13.322 250 HB3 ALA 34 2HB ALA 34 5.272 7.751 13.595 251 H TYR 35 H TYR 35 4.781 5.530 10.087 252 HA TYR 35 HA TYR 35 3.374 7.938 9.144 253 HB2 TYR 35 1HB TYR 35 3.106 6.707 6.977 254 HB3 TYR 35 2HB TYR 35 4.774 7.084 7.394 255 HD1 TYR 35 HD1 TYR 35 2.265 4.338 7.468 256 HD2 TYR 35 HD2 TYR 35 6.388 5.390 7.458 257 HE1 TYR 35 HE1 TYR 35 2.859 1.975 7.178 258 HE2 TYR 35 HE2 TYR 35 6.993 3.025 7.170 259 HH TYR 35 HH TYR 35 4.671 0.618 6.399 260 H ASN 36 H ASN 36 1.222 7.534 8.179 261 HA ASN 36 HA ASN 36 -0.241 5.464 9.691 262 HB2 ASN 36 1HB ASN 36 -0.919 7.651 10.438 263 HB3 ASN 36 2HB ASN 36 -1.100 8.219 8.783 264 HD21 ASN 36 2HD2 ASN 36 -2.970 7.857 7.709 265 HD22 ASN 36 1HD2 ASN 36 -4.353 7.088 8.419 266 H VAL 37 H VAL 37 -1.428 4.020 8.558 267 HA VAL 37 HA VAL 37 -1.359 4.281 5.629 268 HB VAL 37 HB VAL 37 -1.764 1.761 7.245 269 HG11 VAL 37 1HG1 VAL 37 -1.289 0.621 5.129 270 HG12 VAL 37 2HG1 VAL 37 -1.183 2.182 4.316 271 HG13 VAL 37 3HG1 VAL 37 -2.716 1.651 5.007 272 HG21 VAL 37 3HG2 VAL 37 0.733 2.792 5.908 273 HG22 VAL 37 1HG2 VAL 37 0.543 1.204 6.652 274 HG23 VAL 37 2HG2 VAL 37 0.458 2.659 7.646 275 HA PRO 38 HA PRO 38 -5.852 4.509 6.039 276 HB2 PRO 38 1HB PRO 38 -5.899 5.574 3.372 277 HB3 PRO 38 2HB PRO 38 -6.187 6.428 4.888 278 HG2 PRO 38 1HG PRO 38 -4.017 6.864 3.249 279 HG3 PRO 38 2HG PRO 38 -4.056 7.231 4.981 280 HD2 PRO 38 1HD PRO 38 -2.874 4.874 3.569 281 HD3 PRO 38 2HD PRO 38 -2.248 5.789 4.959 282 H MET 39 H MET 39 -6.737 2.535 5.819 283 HA MET 39 HA MET 39 -6.211 0.754 3.655 284 HB2 MET 39 1HB MET 39 -8.468 0.823 5.670 285 HB3 MET 39 2HB MET 39 -8.221 -0.477 4.517 286 HG2 MET 39 1HG MET 39 -6.076 -0.991 5.533 287 HG3 MET 39 2HG MET 39 -6.293 0.338 6.675 288 HE1 MET 39 3HE MET 39 -5.685 -2.717 7.497 289 HE2 MET 39 1HE MET 39 -6.768 -2.895 8.876 290 HE3 MET 39 2HE MET 39 -5.847 -1.406 8.665 291 H LYS 40 H LYS 40 -9.067 2.634 4.546 292 HA LYS 40 HA LYS 40 -10.855 3.413 3.426 293 HB2 LYS 40 1HB LYS 40 -9.103 4.578 2.072 294 HB3 LYS 40 2HB LYS 40 -9.171 3.246 0.924 295 HG2 LYS 40 1HG LYS 40 -11.623 3.714 0.681 296 HG3 LYS 40 2HG LYS 40 -11.363 5.176 1.630 297 HD2 LYS 40 1HD LYS 40 -9.724 5.933 -0.056 298 HD3 LYS 40 2HD LYS 40 -10.088 4.497 -1.017 299 HE2 LYS 40 1HE LYS 40 -11.991 6.714 -0.269 300 HE3 LYS 40 2HE LYS 40 -11.348 6.366 -1.873 301 HZ1 LYS 40 3HZ LYS 40 -12.543 4.291 -1.902 302 HZ2 LYS 40 1HZ LYS 40 -13.628 5.548 -1.558 303 HZ3 LYS 40 2HZ LYS 40 -13.094 4.533 -0.314 304 H LYS 41 H LYS 41 -12.572 2.186 3.250 305 HA LYS 41 HA LYS 41 -12.484 -0.436 2.131 306 HB2 LYS 41 1HB LYS 41 -14.029 0.040 3.936 307 HB3 LYS 41 2HB LYS 41 -14.813 1.297 2.987 308 HG2 LYS 41 1HG LYS 41 -15.600 -0.389 1.403 309 HG3 LYS 41 2HG LYS 41 -14.812 -1.648 2.356 310 HD2 LYS 41 1HD LYS 41 -16.244 -1.169 4.242 311 HD3 LYS 41 2HD LYS 41 -16.966 0.193 3.384 312 HE2 LYS 41 1HE LYS 41 -17.089 -2.643 2.391 313 HE3 LYS 41 2HE LYS 41 -18.328 -1.922 3.420 314 HZ1 LYS 41 3HZ LYS 41 -18.900 -0.388 1.768 315 HZ2 LYS 41 1HZ LYS 41 -18.733 -1.859 0.943 316 HZ3 LYS 41 2HZ LYS 41 -17.506 -0.692 0.853 317 H ILE 42 H ILE 42 -12.308 -0.767 0.013 318 HA ILE 42 HA ILE 42 -13.317 1.116 -1.913 319 HB ILE 42 HB ILE 42 -12.346 -1.679 -2.520 320 HG12 ILE 42 1HG1 ILE 42 -10.692 0.832 -2.146 321 HG13 ILE 42 2HG1 ILE 42 -10.694 -0.561 -1.070 322 HG21 ILE 42 1HG2 ILE 42 -12.280 0.895 -4.098 323 HG22 ILE 42 2HG2 ILE 42 -13.403 -0.441 -4.352 324 HG23 ILE 42 3HG2 ILE 42 -11.679 -0.669 -4.646 325 HD11 ILE 42 3HD1 ILE 42 -9.780 -0.545 -3.937 326 HD12 ILE 42 1HD1 ILE 42 -9.777 -1.940 -2.859 327 HD13 ILE 42 2HD1 ILE 42 -8.744 -0.554 -2.511 328 H LYS 43 H LYS 43 -14.918 0.473 -3.580 329 HA LYS 43 HA LYS 43 -17.280 -0.242 -2.198 330 HB2 LYS 43 1HB LYS 43 -17.078 -0.077 -5.192 331 HB3 LYS 43 2HB LYS 43 -18.449 0.310 -4.163 332 HG2 LYS 43 1HG LYS 43 -17.112 2.234 -3.270 333 HG3 LYS 43 2HG LYS 43 -15.916 1.889 -4.522 334 HD2 LYS 43 1HD LYS 43 -17.948 2.003 -6.130 335 HD3 LYS 43 2HD LYS 43 -18.731 2.863 -4.806 336 HE2 LYS 43 1HE LYS 43 -17.769 4.485 -6.268 337 HE3 LYS 43 2HE LYS 43 -16.803 4.445 -4.793 338 HZ1 LYS 43 3HZ LYS 43 -16.034 2.808 -7.124 339 HZ2 LYS 43 1HZ LYS 43 -15.061 3.385 -5.865 340 HZ3 LYS 43 2HZ LYS 43 -15.616 4.449 -7.064 341 H GLY 44 H GLY 44 -17.094 -2.383 -1.472 342 HA2 GLY 44 1HA GLY 44 -18.025 -4.522 -1.774 343 HA3 GLY 44 2HA GLY 44 -17.923 -4.299 -3.513 344 H TYR 45 H TYR 45 -15.350 -3.910 -1.118 345 HA TYR 45 HA TYR 45 -14.038 -6.298 -2.216 346 HB2 TYR 45 1HB TYR 45 -12.768 -3.574 -1.880 347 HB3 TYR 45 2HB TYR 45 -11.858 -5.052 -2.164 348 HD1 TYR 45 HD2 TYR 45 -14.140 -2.594 -3.650 349 HD2 TYR 45 HD1 TYR 45 -11.834 -6.099 -4.342 350 HE1 TYR 45 HE2 TYR 45 -14.414 -2.289 -6.071 351 HE2 TYR 45 HE1 TYR 45 -12.101 -5.799 -6.768 352 HH TYR 45 HH TYR 45 -13.660 -4.700 -8.330 353 H THR 46 H THR 46 -13.602 -7.647 -0.640 354 HA THR 46 HA THR 46 -13.437 -6.742 2.128 355 HB THR 46 HB THR 46 -13.090 -9.573 1.142 356 HG1 THR 46 HG1 THR 46 -15.255 -9.816 1.016 357 HG21 THR 46 3HG2 THR 46 -12.609 -9.186 3.490 358 HG22 THR 46 1HG2 THR 46 -14.089 -10.130 3.317 359 HG23 THR 46 2HG2 THR 46 -14.178 -8.411 3.705 360 H LEU 47 H LEU 47 -11.477 -6.386 3.133 361 HA LEU 47 HA LEU 47 -9.017 -6.698 1.841 362 HB2 LEU 47 1HB LEU 47 -9.341 -5.264 3.819 363 HB3 LEU 47 2HB LEU 47 -9.528 -6.694 4.814 364 HG LEU 47 HG LEU 47 -7.215 -7.353 4.309 365 HD11 LEU 47 1HD1 LEU 47 -7.083 -4.717 2.852 366 HD12 LEU 47 2HD1 LEU 47 -7.005 -6.316 2.114 367 HD13 LEU 47 3HD1 LEU 47 -5.718 -5.779 3.192 368 HD21 LEU 47 3HD2 LEU 47 -7.505 -4.546 5.366 369 HD22 LEU 47 1HD2 LEU 47 -6.110 -5.598 5.602 370 HD23 LEU 47 2HD2 LEU 47 -7.671 -6.034 6.298 371 H LEU 48 H LEU 48 -7.939 -8.441 1.309 372 HA LEU 48 HA LEU 48 -8.854 -11.026 2.139 373 HB2 LEU 48 1HB LEU 48 -8.030 -10.449 -0.158 374 HB3 LEU 48 2HB LEU 48 -6.416 -10.310 0.510 375 HG LEU 48 HG LEU 48 -6.524 -12.703 1.176 376 HD11 LEU 48 1HD1 LEU 48 -8.952 -12.906 1.339 377 HD12 LEU 48 2HD1 LEU 48 -8.277 -14.113 0.245 378 HD13 LEU 48 3HD1 LEU 48 -9.091 -12.690 -0.406 379 HD21 LEU 48 3HD2 LEU 48 -5.437 -12.063 -0.898 380 HD22 LEU 48 1HD2 LEU 48 -6.983 -12.118 -1.747 381 HD23 LEU 48 2HD2 LEU 48 -6.280 -13.599 -1.096 382 H LYS 49 H LYS 49 -5.851 -9.157 2.573 383 HA LYS 49 HA LYS 49 -5.161 -10.224 5.058 384 HB2 LYS 49 1HB LYS 49 -5.039 -12.337 3.661 385 HB3 LYS 49 2HB LYS 49 -3.683 -11.610 2.813 386 HG2 LYS 49 1HG LYS 49 -2.428 -11.501 4.901 387 HG3 LYS 49 2HG LYS 49 -3.791 -12.217 5.762 388 HD2 LYS 49 1HD LYS 49 -3.602 -14.197 4.247 389 HD3 LYS 49 2HD LYS 49 -2.120 -13.487 3.598 390 HE2 LYS 49 1HE LYS 49 -1.641 -15.156 5.326 391 HE3 LYS 49 2HE LYS 49 -1.104 -13.547 5.809 392 HZ1 LYS 49 3HZ LYS 49 -2.277 -14.839 7.566 393 HZ2 LYS 49 1HZ LYS 49 -3.696 -14.729 6.645 394 HZ3 LYS 49 2HZ LYS 49 -2.960 -13.321 7.250 395 H TYR 50 H TYR 50 -3.106 -9.532 5.789 396 HA TYR 50 HA TYR 50 -1.678 -7.664 4.020 397 HB2 TYR 50 1HB TYR 50 -2.154 -7.772 6.954 398 HB3 TYR 50 2HB TYR 50 -0.588 -7.172 6.423 399 HD1 TYR 50 HD1 TYR 50 -0.561 -5.233 4.775 400 HD2 TYR 50 HD2 TYR 50 -4.020 -6.366 6.974 401 HE1 TYR 50 HE1 TYR 50 -1.516 -2.991 4.418 402 HE2 TYR 50 HE2 TYR 50 -4.986 -4.132 6.620 403 HH TYR 50 HH TYR 50 -3.700 -1.907 4.390 404 H ASP 51 H ASP 51 0.549 -7.884 3.724 405 HA ASP 51 HA ASP 51 1.710 -10.441 4.251 406 HB2 ASP 51 1HB ASP 51 2.922 -7.859 3.251 407 HB3 ASP 51 2HB ASP 51 3.859 -9.330 3.481 408 H SER 52 H SER 52 2.652 -7.198 5.288 409 HA SER 52 HA SER 52 3.711 -8.332 7.781 410 HB2 SER 52 1HB SER 52 5.263 -7.007 6.280 411 HB3 SER 52 2HB SER 52 4.256 -5.596 6.593 412 HG SER 52 HG SER 52 6.261 -6.145 7.968 413 H GLU 53 H GLU 53 3.686 -5.931 9.263 414 HA GLU 53 HA GLU 53 0.899 -5.756 9.957 415 HB2 GLU 53 1HB GLU 53 3.362 -4.401 11.040 416 HB3 GLU 53 2HB GLU 53 1.746 -3.985 11.591 417 HG2 GLU 53 1HG GLU 53 1.512 -6.519 12.045 418 HG3 GLU 53 2HG GLU 53 3.274 -6.519 11.971 419 H ILE 54 H ILE 54 0.364 -3.232 10.590 420 HA ILE 54 HA ILE 54 0.054 -2.066 7.929 421 HB ILE 54 HB ILE 54 -1.277 -1.193 10.493 422 HG12 ILE 54 1HG1 ILE 54 -2.369 -3.115 8.429 423 HG13 ILE 54 2HG1 ILE 54 -1.684 -3.612 9.972 424 HG21 ILE 54 1HG2 ILE 54 -2.961 -0.258 8.977 425 HG22 ILE 54 2HG2 ILE 54 -2.015 -0.805 7.594 426 HG23 ILE 54 3HG2 ILE 54 -1.364 0.426 8.677 427 HD11 ILE 54 3HD1 ILE 54 -4.089 -1.847 9.610 428 HD12 ILE 54 1HD1 ILE 54 -3.413 -2.375 11.150 429 HD13 ILE 54 2HD1 ILE 54 -4.112 -3.556 10.041 430 H LEU 55 H LEU 55 0.706 -0.912 11.234 431 HA LEU 55 HA LEU 55 1.724 1.588 10.175 432 HB2 LEU 55 1HB LEU 55 1.443 0.615 13.019 433 HB3 LEU 55 2HB LEU 55 1.939 2.231 12.553 434 HG LEU 55 HG LEU 55 -0.756 0.989 11.989 435 HD11 LEU 55 1HD1 LEU 55 -1.597 2.597 13.606 436 HD12 LEU 55 2HD1 LEU 55 0.042 3.175 13.903 437 HD13 LEU 55 3HD1 LEU 55 -0.407 1.528 14.348 438 HD21 LEU 55 3HD2 LEU 55 0.286 3.767 11.437 439 HD22 LEU 55 1HD2 LEU 55 -1.380 3.231 11.219 440 HD23 LEU 55 2HD2 LEU 55 -0.094 2.537 10.231 441 H GLY 56 H GLY 56 3.806 2.379 10.476 442 HA2 GLY 56 1HA GLY 56 5.856 0.936 11.810 443 HA3 GLY 56 2HA GLY 56 5.920 0.645 10.076 444 H VAL 57 H VAL 57 8.060 1.691 10.382 445 HA VAL 57 HA VAL 57 7.789 4.615 10.215 446 HB VAL 57 HB VAL 57 10.111 4.796 11.064 447 HG11 VAL 57 1HG1 VAL 57 8.186 3.387 12.912 448 HG12 VAL 57 2HG1 VAL 57 8.250 5.120 12.589 449 HG13 VAL 57 3HG1 VAL 57 9.589 4.329 13.419 450 HG21 VAL 57 3HG2 VAL 57 11.142 2.879 12.194 451 HG22 VAL 57 1HG2 VAL 57 10.919 2.576 10.471 452 HG23 VAL 57 2HG2 VAL 57 9.821 1.847 11.642 453 H PHE 58 H PHE 58 9.079 5.675 8.682 454 HA PHE 58 HA PHE 58 9.484 4.324 6.255 455 HB2 PHE 58 1HB PHE 58 10.534 6.986 7.219 456 HB3 PHE 58 2HB PHE 58 10.750 6.400 5.577 457 HD1 PHE 58 HD1 PHE 58 8.859 6.229 4.059 458 HD2 PHE 58 HD2 PHE 58 8.411 7.799 7.984 459 HE1 PHE 58 HE1 PHE 58 6.696 7.205 3.416 460 HE2 PHE 58 HE2 PHE 58 6.243 8.775 7.352 461 HZ PHE 58 HZ PHE 58 5.383 8.478 5.063 462 H THR 59 H THR 59 10.997 2.916 5.751 463 HA THR 59 HA THR 59 13.507 2.833 7.207 464 HB THR 59 HB THR 59 13.908 0.777 5.787 465 HG1 THR 59 HG1 THR 59 11.192 0.693 5.151 466 HG21 THR 59 3HG2 THR 59 12.256 -0.605 6.987 467 HG22 THR 59 1HG2 THR 59 11.383 0.857 7.443 468 HG23 THR 59 2HG2 THR 59 13.018 0.583 8.044 469 H GLU 60 H GLU 60 15.519 2.364 5.803 470 HA GLU 60 HA GLU 60 15.821 4.564 3.959 471 HB2 GLU 60 1HB GLU 60 17.715 2.453 4.981 472 HB3 GLU 60 2HB GLU 60 18.187 3.648 3.780 473 HG2 GLU 60 1HG GLU 60 17.641 5.436 5.362 474 HG3 GLU 60 2HG GLU 60 17.215 4.224 6.569 475 H SER 61 H SER 61 13.956 2.745 2.996 476 HA SER 61 HA SER 61 15.098 2.062 0.443 477 HB2 SER 61 1HB SER 61 14.319 -0.341 0.601 478 HB3 SER 61 2HB SER 61 15.720 0.038 1.603 479 HG SER 61 HG SER 61 13.333 0.452 2.891 480 HA PRO 62 HA PRO 62 10.855 2.902 -0.711 481 HB2 PRO 62 1HB PRO 62 11.148 0.907 -2.864 482 HB3 PRO 62 2HB PRO 62 10.806 2.637 -2.978 483 HG2 PRO 62 1HG PRO 62 13.187 1.603 -3.694 484 HG3 PRO 62 2HG PRO 62 13.038 3.213 -2.967 485 HD2 PRO 62 1HD PRO 62 13.915 0.642 -1.720 486 HD3 PRO 62 2HD PRO 62 14.529 2.288 -1.464 487 H GLN 63 H GLN 63 9.528 2.036 0.766 488 HA GLN 63 HA GLN 63 9.504 -0.852 1.166 489 HB2 GLN 63 1HB GLN 63 9.778 0.750 3.070 490 HB3 GLN 63 2HB GLN 63 8.146 1.322 2.763 491 HG2 GLN 63 1HG GLN 63 7.223 -0.806 3.337 492 HG3 GLN 63 2HG GLN 63 8.834 -1.518 3.456 493 HE21 GLN 63 2HE2 GLN 63 6.705 -1.301 5.454 494 HE22 GLN 63 1HE2 GLN 63 7.394 -0.460 6.795 495 H THR 64 H THR 64 7.715 -2.125 0.847 496 HA THR 64 HA THR 64 5.530 -0.815 -0.629 497 HB THR 64 HB THR 64 6.454 -3.677 -0.926 498 HG1 THR 64 HG1 THR 64 7.880 -1.735 -1.610 499 HG21 THR 64 3HG2 THR 64 5.166 -3.585 -3.018 500 HG22 THR 64 1HG2 THR 64 4.662 -1.939 -2.629 501 HG23 THR 64 2HG2 THR 64 4.142 -3.284 -1.614 502 H ILE 65 H ILE 65 3.559 -0.936 0.212 503 HA ILE 65 HA ILE 65 2.997 -3.044 2.197 504 HB ILE 65 HB ILE 65 1.605 -0.379 1.834 505 HG12 ILE 65 1HG1 ILE 65 3.387 -1.388 4.060 506 HG13 ILE 65 2HG1 ILE 65 3.845 -0.199 2.846 507 HG21 ILE 65 1HG2 ILE 65 0.407 -0.992 3.912 508 HG22 ILE 65 2HG2 ILE 65 1.136 -2.596 3.827 509 HG23 ILE 65 3HG2 ILE 65 0.032 -2.061 2.560 510 HD11 ILE 65 3HD1 ILE 65 1.683 0.132 4.911 511 HD12 ILE 65 1HD1 ILE 65 2.146 1.325 3.697 512 HD13 ILE 65 2HD1 ILE 65 3.290 0.858 4.956 513 H ASN 66 H ASN 66 2.017 -4.682 1.226 514 HA ASN 66 HA ASN 66 0.323 -4.223 -1.093 515 HB2 ASN 66 1HB ASN 66 1.139 -6.791 0.279 516 HB3 ASN 66 2HB ASN 66 0.202 -6.694 -1.206 517 HD21 ASN 66 2HD2 ASN 66 2.811 -7.888 -0.570 518 HD22 ASN 66 1HD2 ASN 66 3.915 -7.206 -1.721 519 H ILE 67 H ILE 67 -1.594 -3.396 -0.481 520 HA ILE 67 HA ILE 67 -3.089 -4.765 1.638 521 HB ILE 67 HB ILE 67 -3.843 -2.238 0.147 522 HG12 ILE 67 1HG1 ILE 67 -2.522 -2.581 2.851 523 HG13 ILE 67 2HG1 ILE 67 -1.762 -1.922 1.408 524 HG21 ILE 67 1HG2 ILE 67 -4.912 -3.440 2.702 525 HG22 ILE 67 2HG2 ILE 67 -5.734 -3.425 1.142 526 HG23 ILE 67 3HG2 ILE 67 -5.423 -1.910 1.987 527 HD11 ILE 67 3HD1 ILE 67 -3.331 -0.045 1.456 528 HD12 ILE 67 1HD1 ILE 67 -2.376 -0.159 2.935 529 HD13 ILE 67 2HD1 ILE 67 -4.054 -0.704 2.924 530 H ILE 68 H ILE 68 -3.812 -6.617 0.694 531 HA ILE 68 HA ILE 68 -4.825 -6.494 -2.042 532 HB ILE 68 HB ILE 68 -4.360 -8.930 -0.315 533 HG12 ILE 68 1HG1 ILE 68 -2.628 -7.727 -2.489 534 HG13 ILE 68 2HG1 ILE 68 -2.280 -7.668 -0.764 535 HG21 ILE 68 1HG2 ILE 68 -4.864 -8.650 -3.280 536 HG22 ILE 68 2HG2 ILE 68 -5.978 -9.323 -2.091 537 HG23 ILE 68 3HG2 ILE 68 -4.465 -10.155 -2.449 538 HD11 ILE 68 3HD1 ILE 68 -0.963 -9.375 -1.853 539 HD12 ILE 68 1HD1 ILE 68 -2.428 -10.146 -2.464 540 HD13 ILE 68 2HD1 ILE 68 -2.108 -10.107 -0.730 541 H TYR 69 H TYR 69 -6.876 -6.271 -2.418 542 HA TYR 69 HA TYR 69 -8.825 -7.043 -0.381 543 HB2 TYR 69 1HB TYR 69 -8.944 -5.218 -2.772 544 HB3 TYR 69 2HB TYR 69 -10.407 -5.777 -1.967 545 HD1 TYR 69 HD2 TYR 69 -10.935 -5.057 0.292 546 HD2 TYR 69 HD1 TYR 69 -7.483 -3.592 -1.714 547 HE1 TYR 69 HE2 TYR 69 -10.745 -3.258 1.949 548 HE2 TYR 69 HE1 TYR 69 -7.283 -1.782 -0.055 549 HH TYR 69 HH TYR 69 -8.760 -0.560 1.543 550 H GLN 70 H GLN 70 -10.771 -8.083 -1.058 551 HA GLN 70 HA GLN 70 -10.527 -9.748 -3.469 552 HB2 GLN 70 1HB GLN 70 -10.118 -11.158 -1.543 553 HB3 GLN 70 2HB GLN 70 -11.526 -10.511 -0.717 554 HG2 GLN 70 1HG GLN 70 -11.957 -12.743 -1.543 555 HG3 GLN 70 2HG GLN 70 -12.989 -11.570 -2.354 556 HE21 GLN 70 2HE2 GLN 70 -12.801 -11.266 -4.521 557 HE22 GLN 70 1HE2 GLN 70 -11.800 -12.245 -5.548 558 H LYS 71 H LYS 71 -11.961 -8.936 -4.830 559 HA LYS 71 HA LYS 71 -14.196 -7.422 -4.347 560 HB2 LYS 71 1HB LYS 71 -15.034 -8.287 -6.558 561 HB3 LYS 71 2HB LYS 71 -13.384 -7.680 -6.586 562 HG2 LYS 71 1HG LYS 71 -12.545 -9.978 -6.458 563 HG3 LYS 71 2HG LYS 71 -14.203 -10.576 -6.448 564 HD2 LYS 71 1HD LYS 71 -13.358 -10.783 -8.672 565 HD3 LYS 71 2HD LYS 71 -14.535 -9.470 -8.661 566 HE2 LYS 71 1HE LYS 71 -12.584 -8.861 -9.969 567 HE3 LYS 71 2HE LYS 71 -12.708 -7.845 -8.535 568 HZ1 LYS 71 3HZ LYS 71 -10.993 -9.075 -7.478 569 HZ2 LYS 71 1HZ LYS 71 -10.438 -8.661 -9.018 570 HZ3 LYS 71 2HZ LYS 71 -10.966 -10.244 -8.713 571 H LYS 72 H LYS 72 -16.285 -7.761 -3.759 572 HA LYS 72 HA LYS 72 -16.995 -9.946 -2.201 573 HB2 LYS 72 1HB LYS 72 -18.775 -8.009 -3.691 574 HB3 LYS 72 2HB LYS 72 -19.365 -9.163 -2.505 575 HG2 LYS 72 1HG LYS 72 -17.396 -6.950 -1.972 576 HG3 LYS 72 2HG LYS 72 -19.109 -6.935 -1.552 577 HD2 LYS 72 1HD LYS 72 -18.729 -8.920 -0.119 578 HD3 LYS 72 2HD LYS 72 -17.004 -8.813 -0.478 579 HE2 LYS 72 1HE LYS 72 -16.982 -6.535 0.479 580 HE3 LYS 72 2HE LYS 72 -18.683 -6.720 0.902 581 HZ1 LYS 72 3HZ LYS 72 -17.345 -7.202 2.812 582 HZ2 LYS 72 1HZ LYS 72 -16.411 -8.317 1.945 583 HZ3 LYS 72 2HZ LYS 72 -18.038 -8.654 2.272 584 H ALA 73 H ALA 73 -17.692 -9.355 -5.625 585 HA ALA 73 HA ALA 73 -18.584 -12.136 -5.901 586 HB1 ALA 73 3HB ALA 73 -18.688 -9.869 -7.896 587 HB2 ALA 73 1HB ALA 73 -20.033 -10.432 -6.904 588 HB3 ALA 73 2HB ALA 73 -19.343 -11.490 -8.135 589 HA PRO 74 HA PRO 74 -14.161 -12.361 -6.764 590 HB2 PRO 74 1HB PRO 74 -13.916 -15.043 -6.491 591 HB3 PRO 74 2HB PRO 74 -14.037 -13.943 -5.111 592 HG2 PRO 74 1HG PRO 74 -16.176 -15.603 -6.401 593 HG3 PRO 74 2HG PRO 74 -15.828 -15.376 -4.676 594 HD2 PRO 74 1HD PRO 74 -17.803 -14.036 -5.930 595 HD3 PRO 74 2HD PRO 74 -16.859 -13.309 -4.612 596 H GLU 75 H GLU 75 -12.798 -13.147 -8.371 597 HA GLU 75 HA GLU 75 -14.159 -14.387 -10.668 598 HB2 GLU 75 1HB GLU 75 -11.788 -12.525 -10.563 599 HB3 GLU 75 2HB GLU 75 -12.194 -13.464 -11.994 600 HG2 GLU 75 1HG GLU 75 -14.436 -12.398 -11.986 601 HG3 GLU 75 2HG GLU 75 -13.895 -11.376 -10.655 602 H GLN 76 H GLN 76 -11.793 -15.177 -12.023 603 HA GLN 76 HA GLN 76 -10.586 -17.103 -12.254 604 HB2 GLN 76 1HB GLN 76 -10.277 -16.979 -9.241 605 HB3 GLN 76 2HB GLN 76 -9.326 -17.969 -10.334 606 HG2 GLN 76 1HG GLN 76 -8.384 -15.961 -11.346 607 HG3 GLN 76 2HG GLN 76 -9.356 -14.959 -10.267 608 HE21 GLN 76 2HE2 GLN 76 -6.464 -15.071 -10.527 609 HE22 GLN 76 1HE2 GLN 76 -5.849 -15.521 -8.974 610 H ALA 77 H ALA 77 -13.500 -16.945 -11.371 611 HA ALA 77 HA ALA 77 -13.877 -19.461 -9.954 612 HB1 ALA 77 3HB ALA 77 -15.851 -17.284 -10.631 613 HB2 ALA 77 1HB ALA 77 -15.002 -17.470 -9.097 614 HB3 ALA 77 2HB ALA 77 -16.167 -18.690 -9.615 615 H LEU 78 H LEU 78 -16.466 -20.026 -10.789 616 HA LEU 78 HA LEU 78 -15.812 -21.721 -12.976 617 HB2 LEU 78 1HB LEU 78 -18.506 -21.244 -11.708 618 HB3 LEU 78 2HB LEU 78 -18.053 -22.610 -12.708 619 HG LEU 78 HG LEU 78 -17.000 -21.982 -9.949 620 HD11 LEU 78 1HD1 LEU 78 -18.765 -24.194 -10.988 621 HD12 LEU 78 2HD1 LEU 78 -19.255 -22.868 -9.932 622 HD13 LEU 78 3HD1 LEU 78 -18.119 -24.085 -9.350 623 HD21 LEU 78 3HD2 LEU 78 -15.240 -22.945 -11.316 624 HD22 LEU 78 1HD2 LEU 78 -16.317 -24.248 -11.815 625 HD23 LEU 78 2HD2 LEU 78 -15.811 -24.122 -10.131 626 H GLU 79 H GLU 79 -18.257 -19.118 -12.629 627 HA GLU 79 HA GLU 79 -19.118 -19.525 -15.339 628 HB2 GLU 79 1HB GLU 79 -20.663 -18.872 -13.498 629 HB3 GLU 79 2HB GLU 79 -19.895 -17.290 -13.470 630 HG2 GLU 79 1HG GLU 79 -21.945 -17.192 -14.726 631 HG3 GLU 79 2HG GLU 79 -20.569 -16.937 -15.800 632 H HIS 80 H HIS 80 -17.032 -19.169 -16.244 633 HA HIS 80 HA HIS 80 -17.020 -16.656 -17.611 634 HB2 HIS 80 1HB HIS 80 -14.722 -17.367 -15.784 635 HB3 HIS 80 2HB HIS 80 -14.455 -16.422 -17.241 636 HD1 HIS 80 HD1 HIS 80 -14.541 -15.797 -13.910 637 HD2 HIS 80 HD2 HIS 80 -16.744 -14.199 -17.052 638 HE1 HIS 80 HE1 HIS 80 -15.390 -13.574 -13.080 639 HE2 HIS 80 HE2 HIS 80 -16.633 -12.575 -15.035 640 H HIS 81 H HIS 81 -15.443 -19.662 -16.805 641 HA HIS 81 HA HIS 81 -14.664 -20.118 -19.581 642 HB2 HIS 81 1HB HIS 81 -14.275 -21.922 -17.172 643 HB3 HIS 81 2HB HIS 81 -13.527 -22.107 -18.753 644 HD1 HIS 81 HD1 HIS 81 -11.498 -20.580 -19.298 645 HD2 HIS 81 HD2 HIS 81 -13.097 -20.028 -15.495 646 HE1 HIS 81 HE1 HIS 81 -9.805 -19.210 -18.039 647 HE2 HIS 81 HE2 HIS 81 -10.842 -18.792 -15.777 648 H HIS 82 H HIS 82 -15.321 -22.221 -20.559 649 HA HIS 82 HA HIS 82 -17.912 -23.131 -19.520 650 HB2 HIS 82 1HB HIS 82 -17.275 -22.458 -22.398 651 HB3 HIS 82 2HB HIS 82 -18.722 -23.318 -21.883 652 HD1 HIS 82 HD1 HIS 82 -20.525 -21.940 -20.574 653 HD2 HIS 82 HD2 HIS 82 -17.289 -19.714 -21.950 654 HE1 HIS 82 HE1 HIS 82 -21.198 -19.532 -20.328 655 HE2 HIS 82 HE2 HIS 82 -19.151 -18.211 -20.965 656 H HIS 83 H HIS 83 -18.520 -25.264 -20.186 657 HA HIS 83 HA HIS 83 -16.315 -27.022 -19.830 658 HB2 HIS 83 1HB HIS 83 -19.248 -27.482 -20.330 659 HB3 HIS 83 2HB HIS 83 -18.108 -28.814 -20.171 660 HD1 HIS 83 HD1 HIS 83 -18.843 -29.751 -17.970 661 HD2 HIS 83 HD2 HIS 83 -18.144 -25.656 -17.796 662 HE1 HIS 83 HE1 HIS 83 -18.984 -29.137 -15.534 663 HE2 HIS 83 HE2 HIS 83 -18.621 -26.647 -15.455 664 H HIS 84 H HIS 84 -18.267 -26.103 -22.596 665 HA HIS 84 HA HIS 84 -16.948 -28.002 -24.333 666 HB2 HIS 84 1HB HIS 84 -19.304 -27.316 -24.724 667 HB3 HIS 84 2HB HIS 84 -18.754 -25.677 -25.051 668 HD1 HIS 84 HD1 HIS 84 -18.794 -29.130 -26.525 669 HD2 HIS 84 HD2 HIS 84 -17.690 -25.264 -27.588 670 HE1 HIS 84 HE1 HIS 84 -18.329 -29.212 -28.994 671 HE2 HIS 84 HE2 HIS 84 -17.422 -26.927 -29.553 672 H HIS 85 H HIS 85 -16.256 -24.990 -23.043 673 HA HIS 85 HA HIS 85 -14.715 -23.375 -23.400 674 HB2 HIS 85 1HB HIS 85 -13.410 -25.615 -24.948 675 HB3 HIS 85 2HB HIS 85 -12.642 -24.053 -24.695 676 HD1 HIS 85 HD1 HIS 85 -11.423 -23.713 -22.537 677 HD2 HIS 85 HD2 HIS 85 -13.819 -27.112 -22.506 678 HE1 HIS 85 HE1 HIS 85 -10.858 -24.925 -20.404 679 HE2 HIS 85 HE2 HIS 85 -12.460 -26.874 -20.323 Start of MODEL 12 1 H1 MET 1 1H MET 1 22.595 14.291 -11.733 2 H2 MET 1 2H MET 1 23.559 13.088 -12.436 3 H3 MET 1 3H MET 1 23.663 13.392 -10.770 4 HA MET 1 HA MET 1 21.320 12.289 -12.208 5 HB2 MET 1 1HB MET 1 23.187 11.055 -10.166 6 HB3 MET 1 2HB MET 1 21.750 10.286 -10.821 7 HG2 MET 1 1HG MET 1 22.753 10.299 -13.043 8 HG3 MET 1 2HG MET 1 24.193 11.078 -12.386 9 HE1 MET 1 3HE MET 1 25.588 8.297 -9.993 10 HE2 MET 1 1HE MET 1 24.479 9.601 -9.568 11 HE3 MET 1 2HE MET 1 25.840 9.916 -10.643 12 H ASP 2 H ASP 2 19.537 11.746 -10.805 13 HA ASP 2 HA ASP 2 19.376 13.509 -8.483 14 HB2 ASP 2 1HB ASP 2 17.519 13.351 -10.231 15 HB3 ASP 2 2HB ASP 2 17.164 11.759 -9.561 16 H PHE 3 H PHE 3 18.899 12.740 -6.393 17 HA PHE 3 HA PHE 3 20.093 10.141 -5.932 18 HB2 PHE 3 1HB PHE 3 19.157 12.254 -3.980 19 HB3 PHE 3 2HB PHE 3 20.064 10.804 -3.558 20 HD1 PHE 3 HD2 PHE 3 22.391 10.524 -4.462 21 HD2 PHE 3 HD1 PHE 3 20.249 14.192 -4.731 22 HE1 PHE 3 HE2 PHE 3 24.500 11.722 -4.874 23 HE2 PHE 3 HE1 PHE 3 22.355 15.395 -5.142 24 HZ PHE 3 HZ PHE 3 24.484 14.161 -5.216 25 H GLY 4 H GLY 4 16.989 11.353 -6.343 26 HA2 GLY 4 1HA GLY 4 14.970 10.244 -6.272 27 HA3 GLY 4 2HA GLY 4 15.825 8.814 -5.710 28 H LYS 5 H LYS 5 13.797 8.683 -4.398 29 HA LYS 5 HA LYS 5 14.101 10.246 -1.925 30 HB2 LYS 5 1HB LYS 5 11.529 9.279 -3.193 31 HB3 LYS 5 2HB LYS 5 11.653 10.112 -1.648 32 HG2 LYS 5 1HG LYS 5 12.443 12.107 -2.717 33 HG3 LYS 5 2HG LYS 5 12.535 11.285 -4.275 34 HD2 LYS 5 1HD LYS 5 10.096 10.960 -4.223 35 HD3 LYS 5 2HD LYS 5 10.026 11.833 -2.691 36 HE2 LYS 5 1HE LYS 5 9.442 13.272 -4.592 37 HE3 LYS 5 2HE LYS 5 10.891 13.832 -3.759 38 HZ1 LYS 5 3HZ LYS 5 10.909 12.196 -6.242 39 HZ2 LYS 5 1HZ LYS 5 12.253 12.904 -5.483 40 HZ3 LYS 5 2HZ LYS 5 11.072 13.884 -6.207 41 HA PRO 6 HA PRO 6 14.840 6.027 -0.535 42 HB2 PRO 6 1HB PRO 6 15.427 7.357 2.017 43 HB3 PRO 6 2HB PRO 6 16.477 6.359 1.009 44 HG2 PRO 6 1HG PRO 6 16.839 9.010 1.250 45 HG3 PRO 6 2HG PRO 6 17.182 8.147 -0.261 46 HD2 PRO 6 1HD PRO 6 14.804 9.816 0.470 47 HD3 PRO 6 2HD PRO 6 15.702 9.744 -1.062 48 H ASN 7 H ASN 7 13.097 8.496 1.290 49 HA ASN 7 HA ASN 7 11.763 6.570 2.972 50 HB2 ASN 7 1HB ASN 7 11.135 9.512 2.658 51 HB3 ASN 7 2HB ASN 7 10.678 8.467 3.995 52 HD21 ASN 7 2HD2 ASN 7 12.162 10.968 3.989 53 HD22 ASN 7 1HD2 ASN 7 13.682 10.627 4.740 54 H GLN 8 H GLN 8 11.093 5.624 0.670 55 HA GLN 8 HA GLN 8 8.487 6.797 -0.041 56 HB2 GLN 8 1HB GLN 8 10.011 6.864 -1.918 57 HB3 GLN 8 2HB GLN 8 10.385 5.157 -1.727 58 HG2 GLN 8 1HG GLN 8 8.068 4.592 -2.289 59 HG3 GLN 8 2HG GLN 8 7.709 6.303 -2.500 60 HE21 GLN 8 2HE2 GLN 8 7.584 4.026 -4.368 61 HE22 GLN 8 1HE2 GLN 8 8.559 4.490 -5.718 62 H VAL 9 H VAL 9 7.124 5.715 1.302 63 HA VAL 9 HA VAL 9 7.110 2.798 1.209 64 HB VAL 9 HB VAL 9 5.309 4.719 2.711 65 HG11 VAL 9 1HG1 VAL 9 4.123 2.667 2.166 66 HG12 VAL 9 2HG1 VAL 9 4.496 2.718 3.889 67 HG13 VAL 9 3HG1 VAL 9 5.454 1.706 2.809 68 HG21 VAL 9 3HG2 VAL 9 7.537 2.923 3.675 69 HG22 VAL 9 1HG2 VAL 9 6.490 3.902 4.701 70 HG23 VAL 9 2HG2 VAL 9 7.593 4.682 3.568 71 H THR 10 H THR 10 6.120 1.854 -0.430 72 HA THR 10 HA THR 10 4.144 3.404 -1.944 73 HB THR 10 HB THR 10 5.504 0.854 -2.821 74 HG1 THR 10 HG1 THR 10 6.754 3.032 -2.298 75 HG21 THR 10 3HG2 THR 10 4.960 1.694 -5.069 76 HG22 THR 10 1HG2 THR 10 4.174 3.099 -4.349 77 HG23 THR 10 2HG2 THR 10 3.508 1.487 -4.090 78 H VAL 11 H VAL 11 2.153 3.038 -1.231 79 HA VAL 11 HA VAL 11 1.400 0.375 -0.298 80 HB VAL 11 HB VAL 11 -0.215 2.932 -0.290 81 HG11 VAL 11 1HG1 VAL 11 -0.703 0.285 1.069 82 HG12 VAL 11 2HG1 VAL 11 -1.623 0.953 -0.279 83 HG13 VAL 11 3HG1 VAL 11 -1.665 1.746 1.296 84 HG21 VAL 11 3HG2 VAL 11 0.273 2.996 2.118 85 HG22 VAL 11 1HG2 VAL 11 1.734 3.140 1.140 86 HG23 VAL 11 2HG2 VAL 11 1.345 1.608 1.924 87 H ASN 12 H ASN 12 0.605 -1.026 -1.713 88 HA ASN 12 HA ASN 12 -0.862 0.040 -4.028 89 HB2 ASN 12 1HB ASN 12 0.926 -2.361 -3.772 90 HB3 ASN 12 2HB ASN 12 -0.274 -2.254 -5.057 91 HD21 ASN 12 2HD2 ASN 12 -0.050 -0.681 -6.647 92 HD22 ASN 12 1HD2 ASN 12 1.451 0.138 -6.927 93 H TYR 13 H TYR 13 -2.913 -0.370 -4.127 94 HA TYR 13 HA TYR 13 -4.107 -2.320 -2.329 95 HB2 TYR 13 1HB TYR 13 -5.458 -0.396 -4.239 96 HB3 TYR 13 2HB TYR 13 -6.231 -1.307 -2.946 97 HD1 TYR 13 HD2 TYR 13 -5.755 -0.711 -0.571 98 HD2 TYR 13 HD1 TYR 13 -4.344 1.662 -3.805 99 HE1 TYR 13 HE2 TYR 13 -5.376 1.159 0.976 100 HE2 TYR 13 HE1 TYR 13 -3.955 3.539 -2.266 101 HH TYR 13 HH TYR 13 -4.171 3.174 1.173 102 H LEU 14 H LEU 14 -4.053 -4.341 -3.071 103 HA LEU 14 HA LEU 14 -4.205 -4.773 -5.973 104 HB2 LEU 14 1HB LEU 14 -3.234 -6.653 -3.823 105 HB3 LEU 14 2HB LEU 14 -3.130 -6.911 -5.553 106 HG LEU 14 HG LEU 14 -1.661 -4.802 -3.978 107 HD11 LEU 14 1HD1 LEU 14 -0.772 -7.040 -3.650 108 HD12 LEU 14 2HD1 LEU 14 0.332 -6.069 -4.624 109 HD13 LEU 14 3HD1 LEU 14 -0.694 -7.279 -5.395 110 HD21 LEU 14 3HD2 LEU 14 -1.567 -5.433 -6.922 111 HD22 LEU 14 1HD2 LEU 14 -0.548 -4.267 -6.077 112 HD23 LEU 14 2HD2 LEU 14 -2.288 -3.998 -6.193 113 H ASP 15 H ASP 15 -5.473 -6.411 -6.831 114 HA ASP 15 HA ASP 15 -7.857 -7.137 -5.392 115 HB2 ASP 15 1HB ASP 15 -8.060 -6.779 -7.764 116 HB3 ASP 15 2HB ASP 15 -6.771 -7.930 -8.101 117 H GLU 16 H GLU 16 -5.317 -9.023 -6.942 118 HA GLU 16 HA GLU 16 -4.589 -10.621 -4.793 119 HB2 GLU 16 1HB GLU 16 -6.867 -11.553 -4.914 120 HB3 GLU 16 2HB GLU 16 -6.624 -11.939 -6.614 121 HG2 GLU 16 1HG GLU 16 -4.705 -13.399 -5.880 122 HG3 GLU 16 2HG GLU 16 -5.270 -13.158 -4.227 123 H ASN 17 H ASN 17 -5.265 -10.527 -8.223 124 HA ASN 17 HA ASN 17 -2.973 -12.138 -8.944 125 HB2 ASN 17 1HB ASN 17 -3.728 -11.542 -11.297 126 HB3 ASN 17 2HB ASN 17 -4.897 -12.427 -10.321 127 HD21 ASN 17 2HD2 ASN 17 -6.595 -11.665 -11.621 128 HD22 ASN 17 1HD2 ASN 17 -7.172 -10.031 -11.487 129 H ASN 18 H ASN 18 -2.613 -9.599 -7.522 130 HA ASN 18 HA ASN 18 -0.995 -8.034 -7.381 131 HB2 ASN 18 1HB ASN 18 -0.051 -9.166 -10.016 132 HB3 ASN 18 2HB ASN 18 0.821 -7.958 -9.080 133 HD21 ASN 18 2HD2 ASN 18 1.772 -8.552 -7.125 134 HD22 ASN 18 1HD2 ASN 18 2.061 -10.209 -6.723 135 H THR 19 H THR 19 -3.405 -7.957 -9.621 136 HA THR 19 HA THR 19 -2.752 -5.539 -10.978 137 HB THR 19 HB THR 19 -5.521 -6.626 -10.425 138 HG1 THR 19 HG1 THR 19 -4.742 -8.250 -11.563 139 HG21 THR 19 3HG2 THR 19 -5.468 -4.328 -11.277 140 HG22 THR 19 1HG2 THR 19 -6.122 -5.440 -12.480 141 HG23 THR 19 2HG2 THR 19 -4.467 -4.852 -12.631 142 H SER 20 H SER 20 -2.710 -3.558 -10.168 143 HA SER 20 HA SER 20 -3.667 -3.082 -7.480 144 HB2 SER 20 1HB SER 20 -1.478 -2.191 -8.647 145 HB3 SER 20 2HB SER 20 -2.551 -0.937 -9.263 146 HG SER 20 HG SER 20 -2.811 -0.145 -7.280 147 H ILE 21 H ILE 21 -5.783 -2.734 -7.235 148 HA ILE 21 HA ILE 21 -7.464 -1.794 -9.344 149 HB ILE 21 HB ILE 21 -9.258 -1.770 -7.621 150 HG12 ILE 21 1HG1 ILE 21 -7.035 -2.673 -5.770 151 HG13 ILE 21 2HG1 ILE 21 -7.881 -1.132 -5.682 152 HG21 ILE 21 1HG2 ILE 21 -7.556 -4.257 -7.724 153 HG22 ILE 21 2HG2 ILE 21 -8.799 -3.786 -8.883 154 HG23 ILE 21 3HG2 ILE 21 -9.247 -4.199 -7.227 155 HD11 ILE 21 3HD1 ILE 21 -9.958 -2.302 -5.175 156 HD12 ILE 21 1HD1 ILE 21 -8.694 -2.685 -4.005 157 HD13 ILE 21 2HD1 ILE 21 -9.111 -3.846 -5.266 158 H ALA 22 H ALA 22 -5.595 -0.298 -6.938 159 HA ALA 22 HA ALA 22 -6.589 2.311 -7.838 160 HB1 ALA 22 3HB ALA 22 -7.463 1.943 -5.584 161 HB2 ALA 22 1HB ALA 22 -6.247 3.222 -5.583 162 HB3 ALA 22 2HB ALA 22 -5.834 1.610 -4.997 163 HA PRO 23 HA PRO 23 -2.405 2.947 -9.072 164 HB2 PRO 23 1HB PRO 23 -2.234 5.659 -8.439 165 HB3 PRO 23 2HB PRO 23 -2.818 4.987 -9.964 166 HG2 PRO 23 1HG PRO 23 -4.359 5.957 -7.603 167 HG3 PRO 23 2HG PRO 23 -4.734 6.105 -9.330 168 HD2 PRO 23 1HD PRO 23 -5.995 4.320 -7.785 169 HD3 PRO 23 2HD PRO 23 -5.556 3.938 -9.464 170 H SER 24 H SER 24 -0.362 3.103 -8.217 171 HA SER 24 HA SER 24 0.062 2.370 -5.601 172 HB2 SER 24 1HB SER 24 2.038 3.888 -7.315 173 HB3 SER 24 2HB SER 24 2.406 2.759 -6.011 174 HG SER 24 HG SER 24 1.764 2.276 -8.636 175 H LEU 25 H LEU 25 -0.005 3.391 -3.722 176 HA LEU 25 HA LEU 25 -0.313 6.284 -3.693 177 HB2 LEU 25 1HB LEU 25 -1.858 4.895 -2.391 178 HB3 LEU 25 2HB LEU 25 -0.512 4.240 -1.481 179 HG LEU 25 HG LEU 25 -0.052 6.523 -0.600 180 HD11 LEU 25 1HD1 LEU 25 -1.072 7.814 -2.397 181 HD12 LEU 25 2HD1 LEU 25 -1.773 8.238 -0.835 182 HD13 LEU 25 3HD1 LEU 25 -2.663 7.198 -1.948 183 HD21 LEU 25 3HD2 LEU 25 -1.335 4.911 0.694 184 HD22 LEU 25 1HD2 LEU 25 -2.820 5.443 -0.097 185 HD23 LEU 25 2HD2 LEU 25 -1.937 6.549 0.956 186 H TYR 26 H TYR 26 1.353 7.571 -3.405 187 HA TYR 26 HA TYR 26 3.895 6.479 -2.550 188 HB2 TYR 26 1HB TYR 26 3.281 9.329 -3.349 189 HB3 TYR 26 2HB TYR 26 4.859 8.554 -3.291 190 HD1 TYR 26 HD1 TYR 26 5.389 6.751 -4.973 191 HD2 TYR 26 HD2 TYR 26 1.933 9.211 -5.277 192 HE1 TYR 26 HE1 TYR 26 5.175 6.149 -7.350 193 HE2 TYR 26 HE2 TYR 26 1.709 8.616 -7.650 194 HH TYR 26 HH TYR 26 3.126 7.824 -9.493 195 H LEU 27 H LEU 27 3.626 6.111 -0.351 196 HA LEU 27 HA LEU 27 2.919 8.368 1.351 197 HB2 LEU 27 1HB LEU 27 2.019 6.113 1.839 198 HB3 LEU 27 2HB LEU 27 3.653 5.525 2.065 199 HG LEU 27 HG LEU 27 3.914 7.052 3.997 200 HD11 LEU 27 1HD1 LEU 27 2.319 8.767 3.340 201 HD12 LEU 27 2HD1 LEU 27 1.931 8.129 4.938 202 HD13 LEU 27 3HD1 LEU 27 0.991 7.623 3.535 203 HD21 LEU 27 3HD2 LEU 27 1.540 5.199 4.142 204 HD22 LEU 27 1HD2 LEU 27 2.471 5.796 5.514 205 HD23 LEU 27 2HD2 LEU 27 3.230 4.737 4.329 206 H SER 28 H SER 28 4.603 9.783 1.267 207 HA SER 28 HA SER 28 7.239 8.725 2.028 208 HB2 SER 28 1HB SER 28 7.120 9.578 -0.324 209 HB3 SER 28 2HB SER 28 6.715 11.169 0.319 210 HG SER 28 HG SER 28 9.088 9.693 0.856 211 H GLY 29 H GLY 29 8.180 9.575 3.758 212 HA2 GLY 29 1HA GLY 29 7.247 12.166 4.774 213 HA3 GLY 29 2HA GLY 29 7.232 10.772 5.850 214 H LEU 30 H LEU 30 8.785 11.367 7.285 215 HA LEU 30 HA LEU 30 11.428 12.059 6.206 216 HB2 LEU 30 1HB LEU 30 10.254 12.327 8.971 217 HB3 LEU 30 2HB LEU 30 11.953 12.582 8.630 218 HG LEU 30 HG LEU 30 10.970 14.726 8.729 219 HD11 LEU 30 1HD1 LEU 30 11.267 15.604 6.465 220 HD12 LEU 30 2HD1 LEU 30 11.241 13.960 5.829 221 HD13 LEU 30 3HD1 LEU 30 12.541 14.468 6.907 222 HD21 LEU 30 3HD2 LEU 30 8.855 13.751 6.812 223 HD22 LEU 30 1HD2 LEU 30 9.020 15.398 7.420 224 HD23 LEU 30 2HD2 LEU 30 8.630 14.084 8.530 225 H PHE 31 H PHE 31 13.319 10.977 7.025 226 HA PHE 31 HA PHE 31 13.028 8.167 7.164 227 HB2 PHE 31 1HB PHE 31 15.057 9.192 6.272 228 HB3 PHE 31 2HB PHE 31 15.410 9.913 7.837 229 HD1 PHE 31 HD1 PHE 31 14.866 6.593 6.241 230 HD2 PHE 31 HD2 PHE 31 16.829 8.821 9.290 231 HE1 PHE 31 HE1 PHE 31 16.157 4.595 6.866 232 HE2 PHE 31 HE2 PHE 31 18.123 6.824 9.921 233 HZ PHE 31 HZ PHE 31 17.786 4.708 8.706 234 H ASN 32 H ASN 32 12.914 6.792 8.836 235 HA ASN 32 HA ASN 32 12.416 6.046 10.916 236 HB2 ASN 32 1HB ASN 32 14.759 6.638 11.398 237 HB3 ASN 32 2HB ASN 32 14.261 8.273 11.821 238 HD21 ASN 32 2HD2 ASN 32 15.032 8.112 13.910 239 HD22 ASN 32 1HD2 ASN 32 14.261 7.137 15.115 240 H GLU 33 H GLU 33 10.279 6.784 10.455 241 HA GLU 33 HA GLU 33 9.280 8.594 12.470 242 HB2 GLU 33 1HB GLU 33 9.760 10.150 10.684 243 HB3 GLU 33 2HB GLU 33 8.961 9.121 9.510 244 HG2 GLU 33 1HG GLU 33 6.819 9.560 10.535 245 HG3 GLU 33 2HG GLU 33 7.598 10.520 11.795 246 H ALA 34 H ALA 34 7.554 7.637 13.320 247 HA ALA 34 HA ALA 34 6.463 5.257 12.243 248 HB1 ALA 34 3HB ALA 34 5.349 7.011 14.429 249 HB2 ALA 34 1HB ALA 34 6.533 5.721 14.648 250 HB3 ALA 34 2HB ALA 34 4.900 5.336 14.103 251 H TYR 35 H TYR 35 5.019 5.014 10.699 252 HA TYR 35 HA TYR 35 3.259 7.287 10.048 253 HB2 TYR 35 1HB TYR 35 3.290 6.504 7.725 254 HB3 TYR 35 2HB TYR 35 4.920 6.839 8.296 255 HD1 TYR 35 HD1 TYR 35 6.516 5.027 8.626 256 HD2 TYR 35 HD2 TYR 35 2.580 4.233 7.229 257 HE1 TYR 35 HE1 TYR 35 7.214 2.770 7.953 258 HE2 TYR 35 HE2 TYR 35 3.268 1.972 6.555 259 HH TYR 35 HH TYR 35 6.109 0.539 7.589 260 H ASN 36 H ASN 36 1.324 6.522 8.704 261 HA ASN 36 HA ASN 36 0.296 3.917 9.612 262 HB2 ASN 36 1HB ASN 36 -1.078 6.591 9.705 263 HB3 ASN 36 2HB ASN 36 -2.016 5.115 9.525 264 HD21 ASN 36 2HD2 ASN 36 -1.919 7.083 11.683 265 HD22 ASN 36 1HD2 ASN 36 -1.559 6.179 13.120 266 H VAL 37 H VAL 37 -0.944 2.815 8.093 267 HA VAL 37 HA VAL 37 -0.658 3.801 5.362 268 HB VAL 37 HB VAL 37 -1.464 1.079 6.403 269 HG11 VAL 37 1HG1 VAL 37 -2.559 1.528 4.268 270 HG12 VAL 37 2HG1 VAL 37 -1.288 0.320 4.079 271 HG13 VAL 37 3HG1 VAL 37 -1.010 1.982 3.559 272 HG21 VAL 37 3HG2 VAL 37 1.052 2.044 5.049 273 HG22 VAL 37 1HG2 VAL 37 0.709 0.379 5.522 274 HG23 VAL 37 2HG2 VAL 37 0.885 1.627 6.755 275 HA PRO 38 HA PRO 38 -4.922 5.163 5.495 276 HB2 PRO 38 1HB PRO 38 -4.464 5.634 2.622 277 HB3 PRO 38 2HB PRO 38 -4.929 6.776 3.886 278 HG2 PRO 38 1HG PRO 38 -2.476 6.810 2.807 279 HG3 PRO 38 2HG PRO 38 -2.740 7.164 4.526 280 HD2 PRO 38 1HD PRO 38 -1.766 4.640 3.237 281 HD3 PRO 38 2HD PRO 38 -1.188 5.447 4.712 282 H MET 39 H MET 39 -6.676 3.955 5.284 283 HA MET 39 HA MET 39 -6.605 1.671 3.458 284 HB2 MET 39 1HB MET 39 -7.042 1.175 5.817 285 HB3 MET 39 2HB MET 39 -8.423 2.263 5.804 286 HG2 MET 39 1HG MET 39 -9.526 0.812 4.157 287 HG3 MET 39 2HG MET 39 -8.151 -0.288 4.227 288 HE1 MET 39 3HE MET 39 -7.407 -0.205 7.323 289 HE2 MET 39 1HE MET 39 -7.483 -1.692 6.377 290 HE3 MET 39 2HE MET 39 -8.332 -1.583 7.919 291 H LYS 40 H LYS 40 -7.270 2.415 1.505 292 HA LYS 40 HA LYS 40 -9.670 4.031 1.271 293 HB2 LYS 40 1HB LYS 40 -7.899 2.755 -0.822 294 HB3 LYS 40 2HB LYS 40 -9.289 3.765 -1.185 295 HG2 LYS 40 1HG LYS 40 -8.222 5.656 -0.100 296 HG3 LYS 40 2HG LYS 40 -6.838 4.644 0.326 297 HD2 LYS 40 1HD LYS 40 -6.379 4.261 -2.036 298 HD3 LYS 40 2HD LYS 40 -7.786 5.230 -2.476 299 HE2 LYS 40 1HE LYS 40 -5.426 6.267 -0.914 300 HE3 LYS 40 2HE LYS 40 -5.612 6.437 -2.659 301 HZ1 LYS 40 3HZ LYS 40 -7.669 7.668 -2.269 302 HZ2 LYS 40 1HZ LYS 40 -6.345 8.423 -1.524 303 HZ3 LYS 40 2HZ LYS 40 -7.446 7.536 -0.593 304 H LYS 41 H LYS 41 -11.677 3.280 0.685 305 HA LYS 41 HA LYS 41 -11.878 0.378 0.232 306 HB2 LYS 41 1HB LYS 41 -12.726 1.256 2.490 307 HB3 LYS 41 2HB LYS 41 -14.036 1.990 1.575 308 HG2 LYS 41 1HG LYS 41 -14.647 -0.241 0.714 309 HG3 LYS 41 2HG LYS 41 -13.378 -0.946 1.717 310 HD2 LYS 41 1HD LYS 41 -14.548 0.196 3.686 311 HD3 LYS 41 2HD LYS 41 -15.903 0.433 2.578 312 HE2 LYS 41 1HE LYS 41 -16.177 -1.584 3.940 313 HE3 LYS 41 2HE LYS 41 -16.066 -1.957 2.220 314 HZ1 LYS 41 3HZ LYS 41 -13.769 -2.134 4.099 315 HZ2 LYS 41 1HZ LYS 41 -13.829 -2.676 2.494 316 HZ3 LYS 41 2HZ LYS 41 -14.754 -3.452 3.678 317 H ILE 42 H ILE 42 -12.485 -0.015 -1.746 318 HA ILE 42 HA ILE 42 -14.102 1.897 -3.239 319 HB ILE 42 HB ILE 42 -12.922 -0.730 -4.185 320 HG12 ILE 42 1HG1 ILE 42 -11.772 2.062 -4.395 321 HG13 ILE 42 2HG1 ILE 42 -11.157 0.777 -3.361 322 HG21 ILE 42 1HG2 ILE 42 -14.726 0.133 -5.596 323 HG22 ILE 42 2HG2 ILE 42 -13.171 0.215 -6.423 324 HG23 ILE 42 3HG2 ILE 42 -13.881 1.674 -5.735 325 HD11 ILE 42 3HD1 ILE 42 -10.616 -0.549 -5.340 326 HD12 ILE 42 1HD1 ILE 42 -9.803 1.016 -5.351 327 HD13 ILE 42 2HD1 ILE 42 -11.218 0.751 -6.368 328 H LYS 43 H LYS 43 -16.024 1.082 -4.414 329 HA LYS 43 HA LYS 43 -17.985 -0.001 -2.861 330 HB2 LYS 43 1HB LYS 43 -18.658 1.037 -4.859 331 HB3 LYS 43 2HB LYS 43 -17.615 0.023 -5.846 332 HG2 LYS 43 1HG LYS 43 -19.062 -1.907 -5.351 333 HG3 LYS 43 2HG LYS 43 -20.130 -0.845 -4.430 334 HD2 LYS 43 1HD LYS 43 -20.750 0.366 -6.362 335 HD3 LYS 43 2HD LYS 43 -19.436 -0.331 -7.312 336 HE2 LYS 43 1HE LYS 43 -21.552 -1.340 -7.938 337 HE3 LYS 43 2HE LYS 43 -20.511 -2.532 -7.166 338 HZ1 LYS 43 3HZ LYS 43 -22.770 -1.092 -5.875 339 HZ2 LYS 43 1HZ LYS 43 -21.759 -2.214 -5.106 340 HZ3 LYS 43 2HZ LYS 43 -22.770 -2.716 -6.370 341 H GLY 44 H GLY 44 -17.801 -1.852 -1.724 342 HA2 GLY 44 1HA GLY 44 -18.106 -4.107 -1.435 343 HA3 GLY 44 2HA GLY 44 -18.167 -4.285 -3.182 344 H TYR 45 H TYR 45 -15.670 -3.230 -0.869 345 HA TYR 45 HA TYR 45 -14.046 -5.498 -1.739 346 HB2 TYR 45 1HB TYR 45 -13.229 -2.615 -1.869 347 HB3 TYR 45 2HB TYR 45 -12.022 -3.874 -1.618 348 HD1 TYR 45 HD2 TYR 45 -11.882 -5.752 -3.330 349 HD2 TYR 45 HD1 TYR 45 -14.026 -2.145 -4.031 350 HE1 TYR 45 HE2 TYR 45 -11.822 -6.196 -5.748 351 HE2 TYR 45 HE1 TYR 45 -13.977 -2.579 -6.450 352 HH TYR 45 HH TYR 45 -13.209 -5.541 -7.770 353 H THR 46 H THR 46 -13.628 -6.638 -0.070 354 HA THR 46 HA THR 46 -13.369 -5.423 2.584 355 HB THR 46 HB THR 46 -13.725 -8.286 1.667 356 HG1 THR 46 HG1 THR 46 -15.652 -7.684 3.261 357 HG21 THR 46 3HG2 THR 46 -13.486 -7.233 4.486 358 HG22 THR 46 1HG2 THR 46 -12.318 -8.263 3.658 359 HG23 THR 46 2HG2 THR 46 -13.925 -8.882 4.040 360 H LEU 47 H LEU 47 -11.418 -5.444 3.688 361 HA LEU 47 HA LEU 47 -9.032 -6.015 2.249 362 HB2 LEU 47 1HB LEU 47 -9.140 -4.374 4.103 363 HB3 LEU 47 2HB LEU 47 -9.396 -5.691 5.229 364 HG LEU 47 HG LEU 47 -7.175 -6.579 4.743 365 HD11 LEU 47 1HD1 LEU 47 -6.883 -4.192 2.927 366 HD12 LEU 47 2HD1 LEU 47 -6.997 -5.876 2.415 367 HD13 LEU 47 3HD1 LEU 47 -5.607 -5.331 3.353 368 HD21 LEU 47 3HD2 LEU 47 -7.386 -4.977 6.547 369 HD22 LEU 47 1HD2 LEU 47 -7.185 -3.640 5.413 370 HD23 LEU 47 2HD2 LEU 47 -5.849 -4.753 5.712 371 H LEU 48 H LEU 48 -8.359 -7.967 1.732 372 HA LEU 48 HA LEU 48 -9.357 -10.350 2.839 373 HB2 LEU 48 1HB LEU 48 -8.379 -10.203 0.593 374 HB3 LEU 48 2HB LEU 48 -6.808 -9.863 1.290 375 HG LEU 48 HG LEU 48 -6.763 -12.112 2.291 376 HD11 LEU 48 1HD1 LEU 48 -9.348 -12.536 0.797 377 HD12 LEU 48 2HD1 LEU 48 -9.178 -12.430 2.550 378 HD13 LEU 48 3HD1 LEU 48 -8.434 -13.766 1.670 379 HD21 LEU 48 3HD2 LEU 48 -5.782 -11.750 0.093 380 HD22 LEU 48 1HD2 LEU 48 -7.336 -12.091 -0.668 381 HD23 LEU 48 2HD2 LEU 48 -6.484 -13.363 0.211 382 H LYS 49 H LYS 49 -6.190 -8.801 3.186 383 HA LYS 49 HA LYS 49 -5.859 -8.944 5.887 384 HB2 LYS 49 1HB LYS 49 -6.069 -11.500 5.343 385 HB3 LYS 49 2HB LYS 49 -4.418 -11.333 4.760 386 HG2 LYS 49 1HG LYS 49 -3.728 -10.523 6.967 387 HG3 LYS 49 2HG LYS 49 -5.384 -10.714 7.547 388 HD2 LYS 49 1HD LYS 49 -4.553 -12.715 8.235 389 HD3 LYS 49 2HD LYS 49 -5.007 -13.172 6.593 390 HE2 LYS 49 1HE LYS 49 -2.834 -14.000 6.853 391 HE3 LYS 49 2HE LYS 49 -2.631 -12.507 5.937 392 HZ1 LYS 49 3HZ LYS 49 -2.233 -12.815 8.868 393 HZ2 LYS 49 1HZ LYS 49 -2.042 -11.373 8.000 394 HZ3 LYS 49 2HZ LYS 49 -1.000 -12.681 7.714 395 H TYR 50 H TYR 50 -3.893 -8.027 6.447 396 HA TYR 50 HA TYR 50 -1.829 -8.016 4.359 397 HB2 TYR 50 1HB TYR 50 -1.019 -5.862 5.205 398 HB3 TYR 50 2HB TYR 50 -2.696 -5.739 4.696 399 HD1 TYR 50 HD1 TYR 50 -4.495 -5.698 6.472 400 HD2 TYR 50 HD2 TYR 50 -0.362 -5.301 7.388 401 HE1 TYR 50 HE1 TYR 50 -5.077 -4.722 8.655 402 HE2 TYR 50 HE2 TYR 50 -0.928 -4.330 9.572 403 HH TYR 50 HH TYR 50 -2.723 -3.228 10.688 404 H ASP 51 H ASP 51 -0.302 -9.393 4.883 405 HA ASP 51 HA ASP 51 -0.035 -10.329 7.592 406 HB2 ASP 51 1HB ASP 51 0.261 -11.647 5.358 407 HB3 ASP 51 2HB ASP 51 1.899 -11.001 5.399 408 H SER 52 H SER 52 1.767 -8.283 5.403 409 HA SER 52 HA SER 52 4.019 -7.927 7.113 410 HB2 SER 52 1HB SER 52 3.058 -6.110 4.890 411 HB3 SER 52 2HB SER 52 4.694 -6.227 5.537 412 HG SER 52 HG SER 52 4.865 -8.296 4.671 413 H GLU 53 H GLU 53 3.918 -6.922 8.998 414 HA GLU 53 HA GLU 53 1.794 -5.351 9.920 415 HB2 GLU 53 1HB GLU 53 4.669 -5.448 10.851 416 HB3 GLU 53 2HB GLU 53 3.348 -4.714 11.751 417 HG2 GLU 53 1HG GLU 53 2.330 -6.767 12.171 418 HG3 GLU 53 2HG GLU 53 3.243 -7.582 10.902 419 H ILE 54 H ILE 54 1.243 -3.300 9.610 420 HA ILE 54 HA ILE 54 2.935 -1.663 7.900 421 HB ILE 54 HB ILE 54 1.007 -0.168 7.709 422 HG12 ILE 54 1HG1 ILE 54 -0.392 -2.103 9.573 423 HG13 ILE 54 2HG1 ILE 54 0.116 -0.473 9.998 424 HG21 ILE 54 1HG2 ILE 54 -0.513 -1.711 6.559 425 HG22 ILE 54 2HG2 ILE 54 0.301 -3.074 7.325 426 HG23 ILE 54 3HG2 ILE 54 1.178 -2.051 6.187 427 HD11 ILE 54 3HD1 ILE 54 -2.261 -0.566 9.520 428 HD12 ILE 54 1HD1 ILE 54 -1.923 -1.195 7.907 429 HD13 ILE 54 2HD1 ILE 54 -1.420 0.440 8.339 430 H LEU 55 H LEU 55 2.250 -2.007 11.195 431 HA LEU 55 HA LEU 55 2.665 0.712 11.985 432 HB2 LEU 55 1HB LEU 55 1.408 -0.898 13.365 433 HB3 LEU 55 2HB LEU 55 2.873 -1.833 13.599 434 HG LEU 55 HG LEU 55 3.885 0.124 14.761 435 HD11 LEU 55 1HD1 LEU 55 2.437 1.945 15.488 436 HD12 LEU 55 2HD1 LEU 55 1.100 1.264 14.563 437 HD13 LEU 55 3HD1 LEU 55 2.528 1.874 13.728 438 HD21 LEU 55 3HD2 LEU 55 2.849 -1.695 16.018 439 HD22 LEU 55 1HD2 LEU 55 1.288 -0.881 15.921 440 HD23 LEU 55 2HD2 LEU 55 2.611 -0.146 16.826 441 H GLY 56 H GLY 56 4.569 1.631 11.486 442 HA2 GLY 56 1HA GLY 56 6.914 0.893 12.851 443 HA3 GLY 56 2HA GLY 56 7.018 0.307 11.198 444 H VAL 57 H VAL 57 8.893 1.790 11.220 445 HA VAL 57 HA VAL 57 8.123 4.599 10.830 446 HB VAL 57 HB VAL 57 10.510 5.139 11.117 447 HG11 VAL 57 1HG1 VAL 57 9.350 3.483 13.353 448 HG12 VAL 57 2HG1 VAL 57 9.057 5.197 13.059 449 HG13 VAL 57 3HG1 VAL 57 10.668 4.644 13.516 450 HG21 VAL 57 3HG2 VAL 57 10.846 2.198 11.701 451 HG22 VAL 57 1HG2 VAL 57 12.082 3.439 11.912 452 HG23 VAL 57 2HG2 VAL 57 11.481 3.059 10.298 453 H PHE 58 H PHE 58 9.056 5.760 9.039 454 HA PHE 58 HA PHE 58 8.898 4.490 6.578 455 HB2 PHE 58 1HB PHE 58 10.173 7.085 7.409 456 HB3 PHE 58 2HB PHE 58 10.213 6.540 5.737 457 HD1 PHE 58 HD1 PHE 58 8.118 6.280 4.474 458 HD2 PHE 58 HD2 PHE 58 8.197 7.987 8.365 459 HE1 PHE 58 HE1 PHE 58 5.891 7.246 4.089 460 HE2 PHE 58 HE2 PHE 58 5.970 8.958 7.991 461 HZ PHE 58 HZ PHE 58 4.810 8.586 5.850 462 H THR 59 H THR 59 10.180 3.246 5.465 463 HA THR 59 HA THR 59 12.781 2.515 6.422 464 HB THR 59 HB THR 59 11.724 1.672 3.748 465 HG1 THR 59 HG1 THR 59 10.580 -0.006 5.198 466 HG21 THR 59 3HG2 THR 59 13.863 0.782 4.546 467 HG22 THR 59 1HG2 THR 59 12.648 -0.493 4.444 468 HG23 THR 59 2HG2 THR 59 13.077 0.194 6.011 469 H GLU 60 H GLU 60 14.717 2.553 5.009 470 HA GLU 60 HA GLU 60 14.926 5.108 3.632 471 HB2 GLU 60 1HB GLU 60 16.646 4.328 5.291 472 HB3 GLU 60 2HB GLU 60 17.089 3.058 4.160 473 HG2 GLU 60 1HG GLU 60 17.732 4.745 2.516 474 HG3 GLU 60 2HG GLU 60 17.286 6.019 3.649 475 H SER 61 H SER 61 14.024 2.090 2.816 476 HA SER 61 HA SER 61 14.903 2.434 0.030 477 HB2 SER 61 1HB SER 61 14.260 -0.204 1.375 478 HB3 SER 61 2HB SER 61 14.964 0.039 -0.225 479 HG SER 61 HG SER 61 16.631 1.265 1.231 480 HA PRO 62 HA PRO 62 10.611 2.791 -1.025 481 HB2 PRO 62 1HB PRO 62 10.647 1.339 -3.395 482 HB3 PRO 62 2HB PRO 62 11.034 3.055 -3.244 483 HG2 PRO 62 1HG PRO 62 12.865 0.703 -3.396 484 HG3 PRO 62 2HG PRO 62 13.052 2.320 -4.097 485 HD2 PRO 62 1HD PRO 62 14.392 1.582 -1.895 486 HD3 PRO 62 2HD PRO 62 13.783 3.238 -2.098 487 H GLN 63 H GLN 63 9.392 1.641 0.344 488 HA GLN 63 HA GLN 63 9.485 -1.288 0.237 489 HB2 GLN 63 1HB GLN 63 9.920 -0.276 2.411 490 HB3 GLN 63 2HB GLN 63 8.398 0.598 2.334 491 HG2 GLN 63 1HG GLN 63 7.182 -1.522 2.389 492 HG3 GLN 63 2HG GLN 63 8.714 -2.392 2.477 493 HE21 GLN 63 2HE2 GLN 63 6.488 -0.326 4.172 494 HE22 GLN 63 1HE2 GLN 63 7.152 -0.562 5.747 495 H THR 64 H THR 64 7.992 -2.197 -0.997 496 HA THR 64 HA THR 64 5.447 -0.880 -1.470 497 HB THR 64 HB THR 64 6.470 -3.518 -2.545 498 HG1 THR 64 HG1 THR 64 6.646 -0.848 -3.517 499 HG21 THR 64 3HG2 THR 64 4.226 -1.721 -3.483 500 HG22 THR 64 1HG2 THR 64 4.032 -3.276 -2.675 501 HG23 THR 64 2HG2 THR 64 4.762 -3.201 -4.278 502 H ILE 65 H ILE 65 3.721 -1.261 -0.245 503 HA ILE 65 HA ILE 65 3.647 -3.721 1.372 504 HB ILE 65 HB ILE 65 2.071 -1.165 1.753 505 HG12 ILE 65 1HG1 ILE 65 4.426 -2.272 3.303 506 HG13 ILE 65 2HG1 ILE 65 4.469 -0.876 2.234 507 HG21 ILE 65 1HG2 ILE 65 0.862 -3.121 2.550 508 HG22 ILE 65 2HG2 ILE 65 1.423 -2.148 3.911 509 HG23 ILE 65 3HG2 ILE 65 2.272 -3.632 3.480 510 HD11 ILE 65 3HD1 ILE 65 4.391 -0.182 4.546 511 HD12 ILE 65 1HD1 ILE 65 2.910 -1.107 4.797 512 HD13 ILE 65 2HD1 ILE 65 2.907 0.288 3.718 513 H ASN 66 H ASN 66 2.280 -5.262 0.798 514 HA ASN 66 HA ASN 66 0.443 -4.780 -1.385 515 HB2 ASN 66 1HB ASN 66 1.348 -7.269 0.051 516 HB3 ASN 66 2HB ASN 66 0.043 -7.299 -1.128 517 HD21 ASN 66 2HD2 ASN 66 1.315 -8.725 -2.377 518 HD22 ASN 66 1HD2 ASN 66 2.613 -8.126 -3.354 519 H ILE 67 H ILE 67 -1.298 -3.673 -0.665 520 HA ILE 67 HA ILE 67 -2.853 -4.776 1.561 521 HB ILE 67 HB ILE 67 -3.321 -2.284 -0.099 522 HG12 ILE 67 1HG1 ILE 67 -1.323 -2.100 1.303 523 HG13 ILE 67 2HG1 ILE 67 -2.606 -1.063 1.918 524 HG21 ILE 67 1HG2 ILE 67 -4.715 -3.238 2.398 525 HG22 ILE 67 2HG2 ILE 67 -5.402 -3.192 0.776 526 HG23 ILE 67 3HG2 ILE 67 -4.980 -1.689 1.597 527 HD11 ILE 67 3HD1 ILE 67 -3.111 -2.714 3.645 528 HD12 ILE 67 1HD1 ILE 67 -1.431 -2.184 3.723 529 HD13 ILE 67 2HD1 ILE 67 -1.829 -3.754 3.025 530 H ILE 68 H ILE 68 -3.926 -6.542 0.880 531 HA ILE 68 HA ILE 68 -4.913 -6.642 -1.871 532 HB ILE 68 HB ILE 68 -4.772 -8.840 0.205 533 HG12 ILE 68 1HG1 ILE 68 -2.957 -8.268 -2.149 534 HG13 ILE 68 2HG1 ILE 68 -2.550 -7.967 -0.463 535 HG21 ILE 68 1HG2 ILE 68 -5.328 -8.939 -2.757 536 HG22 ILE 68 2HG2 ILE 68 -6.476 -9.278 -1.461 537 HG23 ILE 68 3HG2 ILE 68 -5.094 -10.344 -1.719 538 HD11 ILE 68 3HD1 ILE 68 -2.707 -10.360 -0.004 539 HD12 ILE 68 1HD1 ILE 68 -1.524 -10.010 -1.263 540 HD13 ILE 68 2HD1 ILE 68 -3.108 -10.654 -1.695 541 H TYR 69 H TYR 69 -6.974 -6.290 -2.333 542 HA TYR 69 HA TYR 69 -8.961 -6.493 -0.174 543 HB2 TYR 69 1HB TYR 69 -8.895 -4.821 -2.675 544 HB3 TYR 69 2HB TYR 69 -10.384 -5.091 -1.775 545 HD1 TYR 69 HD2 TYR 69 -9.734 -4.854 0.962 546 HD2 TYR 69 HD1 TYR 69 -8.093 -2.694 -2.313 547 HE1 TYR 69 HE2 TYR 69 -9.169 -3.004 2.477 548 HE2 TYR 69 HE1 TYR 69 -7.526 -0.837 -0.807 549 HH TYR 69 HH TYR 69 -8.377 0.042 1.416 550 H GLN 70 H GLN 70 -10.615 -7.813 -0.324 551 HA GLN 70 HA GLN 70 -10.766 -9.596 -2.643 552 HB2 GLN 70 1HB GLN 70 -10.484 -10.577 -0.376 553 HB3 GLN 70 2HB GLN 70 -12.000 -9.836 0.112 554 HG2 GLN 70 1HG GLN 70 -13.131 -11.168 -1.668 555 HG3 GLN 70 2HG GLN 70 -11.600 -12.006 -1.927 556 HE21 GLN 70 2HE2 GLN 70 -14.144 -13.073 -1.044 557 HE22 GLN 70 1HE2 GLN 70 -13.856 -13.810 0.493 558 H LYS 71 H LYS 71 -12.439 -9.437 -4.026 559 HA LYS 71 HA LYS 71 -14.374 -7.461 -3.941 560 HB2 LYS 71 1HB LYS 71 -15.694 -9.261 -5.426 561 HB3 LYS 71 2HB LYS 71 -14.367 -8.295 -6.042 562 HG2 LYS 71 1HG LYS 71 -13.383 -10.720 -4.835 563 HG3 LYS 71 2HG LYS 71 -14.596 -11.069 -6.068 564 HD2 LYS 71 1HD LYS 71 -13.384 -9.804 -7.708 565 HD3 LYS 71 2HD LYS 71 -12.245 -9.229 -6.491 566 HE2 LYS 71 1HE LYS 71 -11.478 -11.540 -6.148 567 HE3 LYS 71 2HE LYS 71 -12.592 -12.084 -7.404 568 HZ1 LYS 71 3HZ LYS 71 -11.407 -10.752 -9.012 569 HZ2 LYS 71 1HZ LYS 71 -10.322 -11.792 -8.228 570 HZ3 LYS 71 2HZ LYS 71 -10.368 -10.150 -7.811 571 H LYS 72 H LYS 72 -15.849 -7.088 -2.552 572 HA LYS 72 HA LYS 72 -16.682 -8.949 -0.569 573 HB2 LYS 72 1HB LYS 72 -16.405 -6.575 -0.130 574 HB3 LYS 72 2HB LYS 72 -17.643 -6.183 -1.307 575 HG2 LYS 72 1HG LYS 72 -19.276 -7.398 0.150 576 HG3 LYS 72 2HG LYS 72 -17.997 -7.497 1.368 577 HD2 LYS 72 1HD LYS 72 -17.769 -5.034 1.261 578 HD3 LYS 72 2HD LYS 72 -19.135 -4.984 0.148 579 HE2 LYS 72 1HE LYS 72 -19.178 -5.982 2.987 580 HE3 LYS 72 2HE LYS 72 -19.822 -4.447 2.410 581 HZ1 LYS 72 3HZ LYS 72 -20.800 -7.140 1.599 582 HZ2 LYS 72 1HZ LYS 72 -21.430 -5.651 1.077 583 HZ3 LYS 72 2HZ LYS 72 -21.559 -6.099 2.707 584 H ALA 73 H ALA 73 -18.079 -7.712 -3.521 585 HA ALA 73 HA ALA 73 -19.871 -8.282 -4.771 586 HB1 ALA 73 3HB ALA 73 -20.704 -10.568 -4.662 587 HB2 ALA 73 1HB ALA 73 -19.854 -10.815 -3.136 588 HB3 ALA 73 2HB ALA 73 -18.940 -10.533 -4.618 589 HA PRO 74 HA PRO 74 -22.995 -6.745 -1.818 590 HB2 PRO 74 1HB PRO 74 -24.014 -5.425 -4.231 591 HB3 PRO 74 2HB PRO 74 -23.504 -4.712 -2.697 592 HG2 PRO 74 1HG PRO 74 -22.068 -4.416 -4.960 593 HG3 PRO 74 2HG PRO 74 -21.307 -4.520 -3.364 594 HD2 PRO 74 1HD PRO 74 -21.586 -6.628 -5.472 595 HD3 PRO 74 2HD PRO 74 -20.193 -6.247 -4.436 596 H GLU 75 H GLU 75 -23.258 -8.147 -5.008 597 HA GLU 75 HA GLU 75 -26.034 -8.770 -4.882 598 HB2 GLU 75 1HB GLU 75 -23.782 -9.781 -6.622 599 HB3 GLU 75 2HB GLU 75 -25.439 -10.336 -6.797 600 HG2 GLU 75 1HG GLU 75 -24.908 -8.610 -8.423 601 HG3 GLU 75 2HG GLU 75 -26.167 -8.075 -7.313 602 H GLN 76 H GLN 76 -26.984 -10.315 -3.749 603 HA GLN 76 HA GLN 76 -25.333 -12.107 -2.192 604 HB2 GLN 76 1HB GLN 76 -28.313 -11.637 -2.208 605 HB3 GLN 76 2HB GLN 76 -27.499 -12.756 -1.125 606 HG2 GLN 76 1HG GLN 76 -26.194 -10.863 -0.218 607 HG3 GLN 76 2HG GLN 76 -27.134 -9.773 -1.237 608 HE21 GLN 76 2HE2 GLN 76 -26.919 -9.921 1.682 609 HE22 GLN 76 1HE2 GLN 76 -28.537 -10.144 2.263 610 H ALA 77 H ALA 77 -28.297 -12.676 -4.113 611 HA ALA 77 HA ALA 77 -27.706 -15.509 -4.038 612 HB1 ALA 77 3HB ALA 77 -29.937 -15.819 -4.933 613 HB2 ALA 77 1HB ALA 77 -30.091 -14.083 -5.195 614 HB3 ALA 77 2HB ALA 77 -29.968 -14.719 -3.554 615 H LEU 78 H LEU 78 -29.045 -13.666 -6.765 616 HA LEU 78 HA LEU 78 -27.341 -15.313 -8.502 617 HB2 LEU 78 1HB LEU 78 -30.043 -14.093 -9.075 618 HB3 LEU 78 2HB LEU 78 -29.090 -15.016 -10.220 619 HG LEU 78 HG LEU 78 -30.261 -16.081 -7.647 620 HD11 LEU 78 1HD1 LEU 78 -31.027 -16.571 -10.522 621 HD12 LEU 78 2HD1 LEU 78 -31.956 -15.647 -9.343 622 HD13 LEU 78 3HD1 LEU 78 -31.719 -17.379 -9.116 623 HD21 LEU 78 3HD2 LEU 78 -29.512 -18.263 -8.454 624 HD22 LEU 78 1HD2 LEU 78 -28.150 -17.168 -8.212 625 HD23 LEU 78 2HD2 LEU 78 -28.744 -17.491 -9.841 626 H GLU 79 H GLU 79 -26.341 -14.414 -10.266 627 HA GLU 79 HA GLU 79 -25.582 -11.683 -10.116 628 HB2 GLU 79 1HB GLU 79 -25.255 -13.700 -12.343 629 HB3 GLU 79 2HB GLU 79 -24.486 -12.122 -12.305 630 HG2 GLU 79 1HG GLU 79 -23.155 -12.726 -10.438 631 HG3 GLU 79 2HG GLU 79 -24.064 -14.221 -10.202 632 H HIS 80 H HIS 80 -27.047 -10.127 -10.514 633 HA HIS 80 HA HIS 80 -29.030 -10.429 -12.572 634 HB2 HIS 80 1HB HIS 80 -28.315 -8.269 -10.636 635 HB3 HIS 80 2HB HIS 80 -29.253 -7.843 -12.064 636 HD1 HIS 80 HD1 HIS 80 -29.547 -9.376 -8.724 637 HD2 HIS 80 HD2 HIS 80 -31.806 -9.148 -12.213 638 HE1 HIS 80 HE1 HIS 80 -31.875 -10.075 -8.077 639 HE2 HIS 80 HE2 HIS 80 -33.260 -9.690 -10.146 640 H HIS 81 H HIS 81 -27.999 -10.753 -14.462 641 HA HIS 81 HA HIS 81 -25.805 -9.200 -15.387 642 HB2 HIS 81 1HB HIS 81 -27.792 -10.854 -16.975 643 HB3 HIS 81 2HB HIS 81 -26.244 -10.260 -17.568 644 HD1 HIS 81 HD1 HIS 81 -27.785 -12.930 -15.484 645 HD2 HIS 81 HD2 HIS 81 -23.978 -11.658 -16.583 646 HE1 HIS 81 HE1 HIS 81 -26.233 -14.801 -14.844 647 HE2 HIS 81 HE2 HIS 81 -23.967 -14.086 -15.673 648 H HIS 82 H HIS 82 -25.780 -7.341 -16.575 649 HA HIS 82 HA HIS 82 -28.061 -5.684 -16.163 650 HB2 HIS 82 1HB HIS 82 -25.623 -4.978 -16.036 651 HB3 HIS 82 2HB HIS 82 -25.633 -4.959 -17.797 652 HD1 HIS 82 HD1 HIS 82 -25.729 -2.585 -18.501 653 HD2 HIS 82 HD2 HIS 82 -28.215 -3.347 -15.252 654 HE1 HIS 82 HE1 HIS 82 -26.930 -0.421 -18.037 655 HE2 HIS 82 HE2 HIS 82 -28.564 -0.964 -16.193 656 H HIS 83 H HIS 83 -27.144 -7.717 -18.729 657 HA HIS 83 HA HIS 83 -28.661 -6.279 -20.741 658 HB2 HIS 83 1HB HIS 83 -26.632 -7.942 -21.048 659 HB3 HIS 83 2HB HIS 83 -27.898 -9.164 -21.022 660 HD1 HIS 83 HD1 HIS 83 -26.235 -8.793 -23.536 661 HD2 HIS 83 HD2 HIS 83 -29.819 -6.791 -22.851 662 HE1 HIS 83 HE1 HIS 83 -27.094 -8.133 -25.810 663 HE2 HIS 83 HE2 HIS 83 -29.296 -6.982 -25.379 664 H HIS 84 H HIS 84 -29.426 -8.025 -18.069 665 HA HIS 84 HA HIS 84 -32.016 -8.881 -19.190 666 HB2 HIS 84 1HB HIS 84 -30.504 -10.027 -16.824 667 HB3 HIS 84 2HB HIS 84 -32.135 -10.496 -17.290 668 HD1 HIS 84 HD1 HIS 84 -32.284 -12.454 -18.815 669 HD2 HIS 84 HD2 HIS 84 -28.552 -10.629 -18.972 670 HE1 HIS 84 HE1 HIS 84 -30.881 -13.902 -20.319 671 HE2 HIS 84 HE2 HIS 84 -28.712 -12.646 -20.583 672 H HIS 85 H HIS 85 -33.776 -8.826 -17.417 673 HA HIS 85 HA HIS 85 -33.351 -6.630 -15.539 674 HB2 HIS 85 1HB HIS 85 -35.506 -6.622 -17.662 675 HB3 HIS 85 2HB HIS 85 -35.464 -5.522 -16.290 676 HD1 HIS 85 HD1 HIS 85 -34.230 -5.954 -19.694 677 HD2 HIS 85 HD2 HIS 85 -33.148 -3.743 -16.343 678 HE1 HIS 85 HE1 HIS 85 -32.699 -4.145 -20.541 679 HE2 HIS 85 HE2 HIS 85 -31.866 -2.987 -18.462 Start of MODEL 13 1 H1 MET 1 1H MET 1 24.750 17.561 -8.213 2 H2 MET 1 2H MET 1 23.257 18.307 -7.895 3 H3 MET 1 3H MET 1 23.363 17.086 -9.063 4 HA MET 1 HA MET 1 23.867 15.450 -7.431 5 HB2 MET 1 1HB MET 1 23.692 17.766 -5.495 6 HB3 MET 1 2HB MET 1 23.679 16.078 -5.003 7 HG2 MET 1 1HG MET 1 25.900 15.829 -6.126 8 HG3 MET 1 2HG MET 1 25.907 17.577 -6.353 9 HE1 MET 1 3HE MET 1 25.919 18.857 -2.637 10 HE2 MET 1 1HE MET 1 24.491 18.548 -3.625 11 HE3 MET 1 2HE MET 1 25.905 19.324 -4.337 12 H ASP 2 H ASP 2 22.009 14.564 -8.126 13 HA ASP 2 HA ASP 2 19.491 15.656 -7.068 14 HB2 ASP 2 1HB ASP 2 19.438 15.399 -9.470 15 HB3 ASP 2 2HB ASP 2 20.014 13.739 -9.350 16 H PHE 3 H PHE 3 18.988 14.778 -5.180 17 HA PHE 3 HA PHE 3 19.724 11.981 -4.685 18 HB2 PHE 3 1HB PHE 3 18.885 14.166 -2.768 19 HB3 PHE 3 2HB PHE 3 19.265 12.514 -2.295 20 HD1 PHE 3 HD2 PHE 3 21.591 11.663 -2.604 21 HD2 PHE 3 HD1 PHE 3 20.576 15.764 -3.117 22 HE1 PHE 3 HE2 PHE 3 23.963 12.276 -2.373 23 HE2 PHE 3 HE1 PHE 3 22.945 16.383 -2.886 24 HZ PHE 3 HZ PHE 3 24.642 14.639 -2.511 25 H GLY 4 H GLY 4 18.118 10.773 -5.567 26 HA2 GLY 4 1HA GLY 4 15.345 11.350 -5.247 27 HA3 GLY 4 2HA GLY 4 16.035 9.804 -5.734 28 H LYS 5 H LYS 5 13.833 10.285 -3.876 29 HA LYS 5 HA LYS 5 15.004 9.705 -1.270 30 HB2 LYS 5 1HB LYS 5 12.165 10.229 -2.142 31 HB3 LYS 5 2HB LYS 5 12.598 9.764 -0.502 32 HG2 LYS 5 1HG LYS 5 14.068 11.777 -0.399 33 HG3 LYS 5 2HG LYS 5 13.416 12.261 -1.966 34 HD2 LYS 5 1HD LYS 5 11.182 12.359 -1.046 35 HD3 LYS 5 2HD LYS 5 11.765 11.756 0.506 36 HE2 LYS 5 1HE LYS 5 11.470 14.134 0.663 37 HE3 LYS 5 2HE LYS 5 13.194 13.773 0.698 38 HZ1 LYS 5 3HZ LYS 5 11.700 14.661 -1.715 39 HZ2 LYS 5 1HZ LYS 5 13.377 14.425 -1.597 40 HZ3 LYS 5 2HZ LYS 5 12.632 15.674 -0.725 41 HA PRO 6 HA PRO 6 14.137 5.343 -1.990 42 HB2 PRO 6 1HB PRO 6 15.934 4.811 0.195 43 HB3 PRO 6 2HB PRO 6 16.186 4.496 -1.521 44 HG2 PRO 6 1HG PRO 6 17.596 6.351 -0.066 45 HG3 PRO 6 2HG PRO 6 17.375 6.417 -1.822 46 HD2 PRO 6 1HD PRO 6 15.925 7.907 0.328 47 HD3 PRO 6 2HD PRO 6 16.462 8.471 -1.271 48 H ASN 7 H ASN 7 14.054 7.358 0.815 49 HA ASN 7 HA ASN 7 12.616 5.459 2.437 50 HB2 ASN 7 1HB ASN 7 12.392 7.463 4.006 51 HB3 ASN 7 2HB ASN 7 14.018 6.867 3.702 52 HD21 ASN 7 2HD2 ASN 7 11.804 9.491 3.293 53 HD22 ASN 7 1HD2 ASN 7 12.952 10.627 2.673 54 H GLN 8 H GLN 8 10.972 5.121 0.824 55 HA GLN 8 HA GLN 8 8.729 6.925 1.298 56 HB2 GLN 8 1HB GLN 8 8.054 6.790 -1.085 57 HB3 GLN 8 2HB GLN 8 9.566 7.654 -0.850 58 HG2 GLN 8 1HG GLN 8 10.820 5.708 -1.567 59 HG3 GLN 8 2HG GLN 8 9.328 4.787 -1.740 60 HE21 GLN 8 2HE2 GLN 8 9.703 4.405 -3.918 61 HE22 GLN 8 1HE2 GLN 8 9.535 5.637 -5.118 62 H VAL 9 H VAL 9 6.733 5.915 1.309 63 HA VAL 9 HA VAL 9 6.852 2.975 1.200 64 HB VAL 9 HB VAL 9 5.004 4.727 2.832 65 HG11 VAL 9 1HG1 VAL 9 3.856 2.716 2.088 66 HG12 VAL 9 2HG1 VAL 9 4.197 2.629 3.817 67 HG13 VAL 9 3HG1 VAL 9 5.189 1.720 2.676 68 HG21 VAL 9 3HG2 VAL 9 7.244 2.888 3.667 69 HG22 VAL 9 1HG2 VAL 9 6.158 3.743 4.761 70 HG23 VAL 9 2HG2 VAL 9 7.264 4.651 3.729 71 H THR 10 H THR 10 5.916 2.163 -0.527 72 HA THR 10 HA THR 10 3.837 3.716 -1.899 73 HB THR 10 HB THR 10 5.269 1.271 -2.938 74 HG1 THR 10 HG1 THR 10 6.270 3.721 -2.452 75 HG21 THR 10 3HG2 THR 10 3.857 3.544 -4.347 76 HG22 THR 10 1HG2 THR 10 3.208 1.920 -4.115 77 HG23 THR 10 2HG2 THR 10 4.633 2.165 -5.124 78 H VAL 11 H VAL 11 1.824 3.204 -1.288 79 HA VAL 11 HA VAL 11 1.236 0.526 -0.317 80 HB VAL 11 HB VAL 11 -0.616 2.897 -0.596 81 HG11 VAL 11 1HG1 VAL 11 -2.040 1.684 0.990 82 HG12 VAL 11 2HG1 VAL 11 -0.934 0.312 0.915 83 HG13 VAL 11 3HG1 VAL 11 -1.827 0.805 -0.524 84 HG21 VAL 11 3HG2 VAL 11 1.219 3.389 0.930 85 HG22 VAL 11 1HG2 VAL 11 0.886 1.903 1.820 86 HG23 VAL 11 2HG2 VAL 11 -0.299 3.208 1.809 87 H ASN 12 H ASN 12 0.484 -1.032 -1.543 88 HA ASN 12 HA ASN 12 -0.619 -0.378 -4.189 89 HB2 ASN 12 1HB ASN 12 0.782 -2.808 -3.102 90 HB3 ASN 12 2HB ASN 12 -0.209 -2.909 -4.550 91 HD21 ASN 12 2HD2 ASN 12 2.667 -3.293 -4.134 92 HD22 ASN 12 1HD2 ASN 12 3.444 -2.209 -5.232 93 H TYR 13 H TYR 13 -2.774 -0.265 -4.093 94 HA TYR 13 HA TYR 13 -4.305 -2.081 -2.433 95 HB2 TYR 13 1HB TYR 13 -5.256 -0.099 -4.520 96 HB3 TYR 13 2HB TYR 13 -6.274 -0.949 -3.364 97 HD1 TYR 13 HD2 TYR 13 -6.269 -0.311 -1.001 98 HD2 TYR 13 HD1 TYR 13 -3.925 1.801 -3.855 99 HE1 TYR 13 HE2 TYR 13 -6.005 1.542 0.595 100 HE2 TYR 13 HE1 TYR 13 -3.655 3.658 -2.268 101 HH TYR 13 HH TYR 13 -4.494 3.411 1.029 102 H LEU 14 H LEU 14 -4.186 -4.151 -3.144 103 HA LEU 14 HA LEU 14 -4.205 -4.611 -6.044 104 HB2 LEU 14 1HB LEU 14 -3.487 -6.529 -3.829 105 HB3 LEU 14 2HB LEU 14 -3.255 -6.781 -5.549 106 HG LEU 14 HG LEU 14 -1.832 -4.721 -3.866 107 HD11 LEU 14 1HD1 LEU 14 -0.852 -7.290 -5.102 108 HD12 LEU 14 2HD1 LEU 14 -1.108 -6.996 -3.382 109 HD13 LEU 14 3HD1 LEU 14 0.144 -6.109 -4.252 110 HD21 LEU 14 3HD2 LEU 14 -0.483 -4.305 -5.844 111 HD22 LEU 14 1HD2 LEU 14 -2.183 -3.977 -6.176 112 HD23 LEU 14 2HD2 LEU 14 -1.442 -5.466 -6.761 113 H ASP 15 H ASP 15 -5.495 -6.226 -6.958 114 HA ASP 15 HA ASP 15 -7.958 -6.887 -5.548 115 HB2 ASP 15 1HB ASP 15 -7.785 -6.199 -8.029 116 HB3 ASP 15 2HB ASP 15 -7.113 -7.798 -8.313 117 H GLU 16 H GLU 16 -8.395 -9.469 -6.619 118 HA GLU 16 HA GLU 16 -6.771 -11.025 -4.810 119 HB2 GLU 16 1HB GLU 16 -9.230 -11.438 -5.146 120 HB3 GLU 16 2HB GLU 16 -8.857 -12.017 -6.765 121 HG2 GLU 16 1HG GLU 16 -7.359 -13.725 -5.706 122 HG3 GLU 16 2HG GLU 16 -8.011 -13.223 -4.147 123 H ASN 17 H ASN 17 -7.044 -10.435 -8.233 124 HA ASN 17 HA ASN 17 -5.059 -12.380 -8.983 125 HB2 ASN 17 1HB ASN 17 -5.181 -11.436 -11.185 126 HB3 ASN 17 2HB ASN 17 -6.822 -11.483 -10.555 127 HD21 ASN 17 2HD2 ASN 17 -5.889 -9.876 -12.683 128 HD22 ASN 17 1HD2 ASN 17 -6.083 -8.225 -12.218 129 H ASN 18 H ASN 18 -5.015 -9.656 -7.244 130 HA ASN 18 HA ASN 18 -3.395 -8.545 -6.202 131 HB2 ASN 18 1HB ASN 18 -1.600 -10.461 -7.693 132 HB3 ASN 18 2HB ASN 18 -0.990 -9.273 -6.545 133 HD21 ASN 18 2HD2 ASN 18 -0.932 -12.211 -6.472 134 HD22 ASN 18 1HD2 ASN 18 -1.705 -12.652 -4.988 135 H THR 19 H THR 19 -4.315 -7.900 -9.053 136 HA THR 19 HA THR 19 -2.151 -6.126 -9.859 137 HB THR 19 HB THR 19 -4.930 -6.425 -11.029 138 HG1 THR 19 HG1 THR 19 -2.654 -7.940 -11.239 139 HG21 THR 19 3HG2 THR 19 -3.874 -4.271 -11.566 140 HG22 THR 19 1HG2 THR 19 -3.987 -5.303 -12.993 141 HG23 THR 19 2HG2 THR 19 -2.445 -5.120 -12.156 142 H SER 20 H SER 20 -2.198 -3.904 -9.631 143 HA SER 20 HA SER 20 -3.548 -2.871 -7.397 144 HB2 SER 20 1HB SER 20 -2.232 -1.315 -9.634 145 HB3 SER 20 2HB SER 20 -2.535 -0.753 -7.989 146 HG SER 20 HG SER 20 -0.742 -1.668 -7.412 147 H ILE 21 H ILE 21 -5.680 -2.645 -7.331 148 HA ILE 21 HA ILE 21 -7.262 -1.899 -9.610 149 HB ILE 21 HB ILE 21 -9.131 -1.729 -7.939 150 HG12 ILE 21 1HG1 ILE 21 -7.006 -2.703 -6.013 151 HG13 ILE 21 2HG1 ILE 21 -7.761 -1.115 -5.984 152 HG21 ILE 21 1HG2 ILE 21 -7.528 -4.277 -7.996 153 HG22 ILE 21 2HG2 ILE 21 -8.761 -3.774 -9.152 154 HG23 ILE 21 3HG2 ILE 21 -9.213 -4.154 -7.490 155 HD11 ILE 21 3HD1 ILE 21 -8.709 -2.568 -4.295 156 HD12 ILE 21 1HD1 ILE 21 -9.159 -3.740 -5.535 157 HD13 ILE 21 2HD1 ILE 21 -9.918 -2.148 -5.509 158 H ALA 22 H ALA 22 -5.865 -0.301 -6.845 159 HA ALA 22 HA ALA 22 -6.893 2.275 -7.833 160 HB1 ALA 22 3HB ALA 22 -5.896 1.599 -5.062 161 HB2 ALA 22 1HB ALA 22 -7.591 1.716 -5.532 162 HB3 ALA 22 2HB ALA 22 -6.560 3.146 -5.585 163 HA PRO 23 HA PRO 23 -2.822 3.576 -8.951 164 HB2 PRO 23 1HB PRO 23 -2.702 6.077 -7.768 165 HB3 PRO 23 2HB PRO 23 -3.449 5.730 -9.330 166 HG2 PRO 23 1HG PRO 23 -4.722 6.038 -6.645 167 HG3 PRO 23 2HG PRO 23 -5.292 6.596 -8.229 168 HD2 PRO 23 1HD PRO 23 -6.326 4.417 -7.058 169 HD3 PRO 23 2HD PRO 23 -6.096 4.501 -8.817 170 H SER 24 H SER 24 -0.744 3.627 -8.170 171 HA SER 24 HA SER 24 -0.269 2.545 -5.622 172 HB2 SER 24 1HB SER 24 2.170 3.185 -6.217 173 HB3 SER 24 2HB SER 24 1.339 2.024 -7.251 174 HG SER 24 HG SER 24 2.168 3.447 -8.669 175 H LEU 25 H LEU 25 -0.179 3.494 -3.713 176 HA LEU 25 HA LEU 25 -0.332 6.396 -3.594 177 HB2 LEU 25 1HB LEU 25 -1.796 4.672 -2.301 178 HB3 LEU 25 2HB LEU 25 -0.417 4.547 -1.234 179 HG LEU 25 HG LEU 25 -2.213 6.073 -0.431 180 HD11 LEU 25 1HD1 LEU 25 0.027 6.315 0.441 181 HD12 LEU 25 2HD1 LEU 25 -0.719 7.900 0.240 182 HD13 LEU 25 3HD1 LEU 25 0.475 7.334 -0.927 183 HD21 LEU 25 3HD2 LEU 25 -2.428 8.274 -1.458 184 HD22 LEU 25 1HD2 LEU 25 -2.877 6.993 -2.584 185 HD23 LEU 25 2HD2 LEU 25 -1.312 7.790 -2.735 186 H TYR 26 H TYR 26 1.592 7.361 -3.707 187 HA TYR 26 HA TYR 26 3.897 6.251 -2.346 188 HB2 TYR 26 1HB TYR 26 3.507 8.675 -4.098 189 HB3 TYR 26 2HB TYR 26 5.017 8.364 -3.247 190 HD1 TYR 26 HD1 TYR 26 2.730 7.079 -5.853 191 HD2 TYR 26 HD2 TYR 26 6.556 6.733 -4.027 192 HE1 TYR 26 HE1 TYR 26 3.465 5.613 -7.684 193 HE2 TYR 26 HE2 TYR 26 7.302 5.266 -5.854 194 HH TYR 26 HH TYR 26 6.383 3.809 -7.541 195 H LEU 27 H LEU 27 3.584 6.398 -0.203 196 HA LEU 27 HA LEU 27 2.692 8.872 1.015 197 HB2 LEU 27 1HB LEU 27 2.090 6.556 1.840 198 HB3 LEU 27 2HB LEU 27 3.756 6.385 2.355 199 HG LEU 27 HG LEU 27 3.437 8.359 3.852 200 HD11 LEU 27 1HD1 LEU 27 1.162 9.078 4.351 201 HD12 LEU 27 2HD1 LEU 27 0.544 8.023 3.081 202 HD13 LEU 27 3HD1 LEU 27 1.572 9.395 2.665 203 HD21 LEU 27 3HD2 LEU 27 2.136 7.147 5.526 204 HD22 LEU 27 1HD2 LEU 27 3.274 6.082 4.701 205 HD23 LEU 27 2HD2 LEU 27 1.562 6.039 4.280 206 H SER 28 H SER 28 3.997 10.379 1.907 207 HA SER 28 HA SER 28 6.872 9.949 1.533 208 HB2 SER 28 1HB SER 28 6.934 12.504 1.642 209 HB3 SER 28 2HB SER 28 6.166 11.788 0.226 210 HG SER 28 HG SER 28 4.411 12.189 2.286 211 H GLY 29 H GLY 29 8.355 10.833 3.076 212 HA2 GLY 29 1HA GLY 29 7.734 11.943 5.539 213 HA3 GLY 29 2HA GLY 29 7.696 10.195 5.751 214 H LEU 30 H LEU 30 9.524 11.570 7.176 215 HA LEU 30 HA LEU 30 12.052 11.513 5.719 216 HB2 LEU 30 1HB LEU 30 11.479 12.183 8.610 217 HB3 LEU 30 2HB LEU 30 13.016 12.396 7.794 218 HG LEU 30 HG LEU 30 10.467 13.864 7.099 219 HD11 LEU 30 1HD1 LEU 30 11.321 14.547 9.265 220 HD12 LEU 30 2HD1 LEU 30 11.594 15.814 8.069 221 HD13 LEU 30 3HD1 LEU 30 12.929 14.780 8.579 222 HD21 LEU 30 3HD2 LEU 30 11.907 15.236 5.687 223 HD22 LEU 30 1HD2 LEU 30 11.956 13.547 5.183 224 HD23 LEU 30 2HD2 LEU 30 13.294 14.230 6.107 225 H PHE 31 H PHE 31 13.918 10.530 7.270 226 HA PHE 31 HA PHE 31 13.417 7.740 7.421 227 HB2 PHE 31 1HB PHE 31 15.673 8.722 7.041 228 HB3 PHE 31 2HB PHE 31 15.671 9.310 8.699 229 HD1 PHE 31 HD1 PHE 31 15.496 6.216 6.664 230 HD2 PHE 31 HD2 PHE 31 16.419 7.952 10.437 231 HE1 PHE 31 HE1 PHE 31 16.446 4.074 7.411 232 HE2 PHE 31 HE2 PHE 31 17.372 5.812 11.192 233 HZ PHE 31 HZ PHE 31 17.385 3.870 9.679 234 H ASN 32 H ASN 32 12.947 6.430 9.151 235 HA ASN 32 HA ASN 32 12.167 5.788 11.189 236 HB2 ASN 32 1HB ASN 32 14.275 6.834 12.014 237 HB3 ASN 32 2HB ASN 32 13.416 8.356 12.211 238 HD21 ASN 32 2HD2 ASN 32 13.941 8.368 14.400 239 HD22 ASN 32 1HD2 ASN 32 13.114 7.370 15.545 240 H GLU 33 H GLU 33 10.653 7.465 9.346 241 HA GLU 33 HA GLU 33 8.913 9.110 10.954 242 HB2 GLU 33 1HB GLU 33 9.447 9.530 8.526 243 HB3 GLU 33 2HB GLU 33 8.494 8.108 8.131 244 HG2 GLU 33 1HG GLU 33 7.077 9.927 7.763 245 HG3 GLU 33 2HG GLU 33 6.565 9.256 9.312 246 H ALA 34 H ALA 34 7.400 8.256 12.239 247 HA ALA 34 HA ALA 34 6.329 5.602 11.735 248 HB1 ALA 34 3HB ALA 34 6.792 6.269 14.041 249 HB2 ALA 34 1HB ALA 34 5.072 5.950 13.818 250 HB3 ALA 34 2HB ALA 34 5.659 7.611 13.891 251 H TYR 35 H TYR 35 4.692 5.329 10.354 252 HA TYR 35 HA TYR 35 3.061 7.696 9.717 253 HB2 TYR 35 1HB TYR 35 3.000 6.938 7.411 254 HB3 TYR 35 2HB TYR 35 4.666 7.091 7.952 255 HD1 TYR 35 HD1 TYR 35 5.909 4.953 8.625 256 HD2 TYR 35 HD2 TYR 35 2.206 4.918 6.532 257 HE1 TYR 35 HE1 TYR 35 6.342 2.643 7.902 258 HE2 TYR 35 HE2 TYR 35 2.626 2.616 5.808 259 HH TYR 35 HH TYR 35 4.843 0.628 7.171 260 H ASN 36 H ASN 36 1.008 7.145 8.554 261 HA ASN 36 HA ASN 36 -0.251 4.789 9.801 262 HB2 ASN 36 1HB ASN 36 -1.600 7.373 8.973 263 HB3 ASN 36 2HB ASN 36 -2.367 6.007 9.775 264 HD21 ASN 36 2HD2 ASN 36 -1.805 5.555 11.958 265 HD22 ASN 36 1HD2 ASN 36 -1.155 6.802 12.976 266 H VAL 37 H VAL 37 -1.067 3.302 8.472 267 HA VAL 37 HA VAL 37 -0.734 3.668 5.620 268 HB VAL 37 HB VAL 37 -1.816 1.264 7.092 269 HG11 VAL 37 1HG1 VAL 37 -2.322 1.282 4.708 270 HG12 VAL 37 2HG1 VAL 37 -1.144 0.028 5.098 271 HG13 VAL 37 3HG1 VAL 37 -0.616 1.530 4.339 272 HG21 VAL 37 3HG2 VAL 37 0.395 1.837 7.927 273 HG22 VAL 37 1HG2 VAL 37 1.020 1.893 6.278 274 HG23 VAL 37 2HG2 VAL 37 0.458 0.365 6.957 275 HA PRO 38 HA PRO 38 -5.066 4.822 5.268 276 HB2 PRO 38 1HB PRO 38 -4.535 5.527 2.528 277 HB3 PRO 38 2HB PRO 38 -4.805 6.600 3.900 278 HG2 PRO 38 1HG PRO 38 -2.411 6.351 2.579 279 HG3 PRO 38 2HG PRO 38 -2.578 6.907 4.253 280 HD2 PRO 38 1HD PRO 38 -1.810 4.205 3.217 281 HD3 PRO 38 2HD PRO 38 -1.175 5.105 4.613 282 H MET 39 H MET 39 -6.682 3.463 4.829 283 HA MET 39 HA MET 39 -6.311 1.420 2.736 284 HB2 MET 39 1HB MET 39 -8.251 1.537 5.053 285 HB3 MET 39 2HB MET 39 -8.208 0.258 3.849 286 HG2 MET 39 1HG MET 39 -5.932 -0.310 4.552 287 HG3 MET 39 2HG MET 39 -6.008 0.952 5.778 288 HE1 MET 39 3HE MET 39 -5.362 -0.793 7.670 289 HE2 MET 39 1HE MET 39 -5.257 -2.063 6.450 290 HE3 MET 39 2HE MET 39 -6.202 -2.324 7.916 291 H LYS 40 H LYS 40 -8.054 0.972 1.285 292 HA LYS 40 HA LYS 40 -10.178 2.977 1.108 293 HB2 LYS 40 1HB LYS 40 -8.320 2.246 -1.159 294 HB3 LYS 40 2HB LYS 40 -9.850 3.078 -1.382 295 HG2 LYS 40 1HG LYS 40 -8.952 4.866 0.162 296 HG3 LYS 40 2HG LYS 40 -7.381 4.073 -0.000 297 HD2 LYS 40 1HD LYS 40 -7.503 4.336 -2.427 298 HD3 LYS 40 2HD LYS 40 -9.072 5.124 -2.260 299 HE2 LYS 40 1HE LYS 40 -7.378 6.807 -2.557 300 HE3 LYS 40 2HE LYS 40 -7.995 6.892 -0.908 301 HZ1 LYS 40 3HZ LYS 40 -5.461 5.583 -1.739 302 HZ2 LYS 40 1HZ LYS 40 -6.049 5.681 -0.150 303 HZ3 LYS 40 2HZ LYS 40 -5.588 7.090 -0.977 304 H LYS 41 H LYS 41 -12.057 1.974 0.933 305 HA LYS 41 HA LYS 41 -12.045 -0.793 -0.045 306 HB2 LYS 41 1HB LYS 41 -14.035 0.741 1.620 307 HB3 LYS 41 2HB LYS 41 -14.407 -0.825 0.911 308 HG2 LYS 41 1HG LYS 41 -12.518 -1.806 2.120 309 HG3 LYS 41 2HG LYS 41 -12.191 -0.238 2.857 310 HD2 LYS 41 1HD LYS 41 -14.388 -0.264 3.916 311 HD3 LYS 41 2HD LYS 41 -14.748 -1.813 3.150 312 HE2 LYS 41 1HE LYS 41 -12.537 -1.286 5.134 313 HE3 LYS 41 2HE LYS 41 -14.057 -2.112 5.476 314 HZ1 LYS 41 3HZ LYS 41 -12.258 -3.682 5.111 315 HZ2 LYS 41 1HZ LYS 41 -11.978 -3.038 3.571 316 HZ3 LYS 41 2HZ LYS 41 -13.435 -3.835 3.897 317 H ILE 42 H ILE 42 -11.977 -0.468 -2.214 318 HA ILE 42 HA ILE 42 -13.886 1.187 -3.577 319 HB ILE 42 HB ILE 42 -12.048 -0.955 -4.671 320 HG12 ILE 42 1HG1 ILE 42 -11.702 2.051 -4.591 321 HG13 ILE 42 2HG1 ILE 42 -10.883 0.916 -3.523 322 HG21 ILE 42 1HG2 ILE 42 -13.582 1.228 -6.081 323 HG22 ILE 42 2HG2 ILE 42 -13.885 -0.506 -6.189 324 HG23 ILE 42 3HG2 ILE 42 -12.389 0.170 -6.837 325 HD11 ILE 42 3HD1 ILE 42 -9.756 -0.077 -5.435 326 HD12 ILE 42 1HD1 ILE 42 -9.437 1.655 -5.329 327 HD13 ILE 42 2HD1 ILE 42 -10.590 1.041 -6.514 328 H LYS 43 H LYS 43 -15.923 0.649 -3.963 329 HA LYS 43 HA LYS 43 -17.843 -0.520 -4.191 330 HB2 LYS 43 1HB LYS 43 -16.038 -2.786 -5.046 331 HB3 LYS 43 2HB LYS 43 -17.779 -2.730 -5.276 332 HG2 LYS 43 1HG LYS 43 -17.586 -0.925 -6.825 333 HG3 LYS 43 2HG LYS 43 -15.867 -0.741 -6.474 334 HD2 LYS 43 1HD LYS 43 -15.466 -3.003 -7.356 335 HD3 LYS 43 2HD LYS 43 -17.180 -3.139 -7.749 336 HE2 LYS 43 1HE LYS 43 -15.345 -1.017 -8.845 337 HE3 LYS 43 2HE LYS 43 -15.725 -2.526 -9.675 338 HZ1 LYS 43 3HZ LYS 43 -17.676 -0.416 -8.912 339 HZ2 LYS 43 1HZ LYS 43 -18.066 -1.889 -9.656 340 HZ3 LYS 43 2HZ LYS 43 -17.116 -0.749 -10.476 341 H GLY 44 H GLY 44 -16.097 -0.700 -1.748 342 HA2 GLY 44 1HA GLY 44 -16.298 -1.610 0.359 343 HA3 GLY 44 2HA GLY 44 -17.721 -2.470 -0.212 344 H TYR 45 H TYR 45 -14.678 -2.789 -1.852 345 HA TYR 45 HA TYR 45 -14.532 -5.508 -1.940 346 HB2 TYR 45 1HB TYR 45 -12.623 -3.313 -2.242 347 HB3 TYR 45 2HB TYR 45 -11.873 -4.829 -1.765 348 HD1 TYR 45 HD2 TYR 45 -14.873 -5.267 -3.696 349 HD2 TYR 45 HD1 TYR 45 -10.690 -4.548 -3.980 350 HE1 TYR 45 HE2 TYR 45 -14.902 -6.031 -6.034 351 HE2 TYR 45 HE1 TYR 45 -10.709 -5.309 -6.310 352 HH TYR 45 HH TYR 45 -11.978 -6.626 -7.790 353 H THR 46 H THR 46 -13.685 -7.161 -0.754 354 HA THR 46 HA THR 46 -13.526 -6.597 2.107 355 HB THR 46 HB THR 46 -13.670 -9.263 0.675 356 HG1 THR 46 HG1 THR 46 -15.533 -7.423 0.944 357 HG21 THR 46 3HG2 THR 46 -14.131 -8.542 3.573 358 HG22 THR 46 1HG2 THR 46 -12.727 -9.401 2.939 359 HG23 THR 46 2HG2 THR 46 -14.326 -10.144 2.860 360 H LEU 47 H LEU 47 -11.605 -6.378 3.044 361 HA LEU 47 HA LEU 47 -9.174 -6.757 1.656 362 HB2 LEU 47 1HB LEU 47 -9.477 -5.163 3.536 363 HB3 LEU 47 2HB LEU 47 -9.612 -6.520 4.634 364 HG LEU 47 HG LEU 47 -7.284 -7.182 4.021 365 HD11 LEU 47 1HD1 LEU 47 -5.864 -5.571 2.893 366 HD12 LEU 47 2HD1 LEU 47 -7.247 -4.505 2.640 367 HD13 LEU 47 3HD1 LEU 47 -7.188 -6.079 1.843 368 HD21 LEU 47 3HD2 LEU 47 -7.711 -5.942 6.057 369 HD22 LEU 47 1HD2 LEU 47 -7.658 -4.419 5.169 370 HD23 LEU 47 2HD2 LEU 47 -6.202 -5.399 5.323 371 H LEU 48 H LEU 48 -8.099 -8.570 1.266 372 HA LEU 48 HA LEU 48 -8.795 -11.069 2.404 373 HB2 LEU 48 1HB LEU 48 -7.664 -10.816 0.208 374 HB3 LEU 48 2HB LEU 48 -6.225 -10.247 1.030 375 HG LEU 48 HG LEU 48 -6.036 -12.454 2.157 376 HD11 LEU 48 1HD1 LEU 48 -8.315 -13.198 0.329 377 HD12 LEU 48 2HD1 LEU 48 -8.361 -13.131 2.091 378 HD13 LEU 48 3HD1 LEU 48 -7.354 -14.330 1.280 379 HD21 LEU 48 3HD2 LEU 48 -5.260 -13.672 0.183 380 HD22 LEU 48 1HD2 LEU 48 -4.768 -11.978 0.132 381 HD23 LEU 48 2HD2 LEU 48 -6.119 -12.535 -0.857 382 H LYS 49 H LYS 49 -5.892 -9.103 2.736 383 HA LYS 49 HA LYS 49 -5.602 -8.543 5.290 384 HB2 LYS 49 1HB LYS 49 -6.007 -11.007 5.803 385 HB3 LYS 49 2HB LYS 49 -4.438 -11.328 5.073 386 HG2 LYS 49 1HG LYS 49 -3.374 -9.875 6.737 387 HG3 LYS 49 2HG LYS 49 -4.951 -9.582 7.475 388 HD2 LYS 49 1HD LYS 49 -5.151 -12.031 7.865 389 HD3 LYS 49 2HD LYS 49 -3.500 -12.215 7.270 390 HE2 LYS 49 1HE LYS 49 -2.668 -10.798 9.052 391 HE3 LYS 49 2HE LYS 49 -4.313 -10.510 9.622 392 HZ1 LYS 49 3HZ LYS 49 -2.864 -13.101 9.618 393 HZ2 LYS 49 1HZ LYS 49 -4.497 -12.918 10.042 394 HZ3 LYS 49 2HZ LYS 49 -3.289 -12.180 10.971 395 H TYR 50 H TYR 50 -3.470 -7.833 5.808 396 HA TYR 50 HA TYR 50 -1.527 -8.088 3.651 397 HB2 TYR 50 1HB TYR 50 -0.166 -6.494 5.095 398 HB3 TYR 50 2HB TYR 50 -1.666 -5.851 4.440 399 HD1 TYR 50 HD1 TYR 50 -3.572 -5.410 5.907 400 HD2 TYR 50 HD2 TYR 50 0.126 -6.812 7.469 401 HE1 TYR 50 HE1 TYR 50 -4.277 -4.735 8.159 402 HE2 TYR 50 HE2 TYR 50 -0.568 -6.145 9.729 403 HH TYR 50 HH TYR 50 -3.742 -5.366 10.530 404 H ASP 51 H ASP 51 0.401 -9.192 3.863 405 HA ASP 51 HA ASP 51 0.210 -11.339 5.802 406 HB2 ASP 51 1HB ASP 51 1.820 -12.501 4.449 407 HB3 ASP 51 2HB ASP 51 0.611 -11.789 3.387 408 H SER 52 H SER 52 1.901 -8.435 5.507 409 HA SER 52 HA SER 52 3.696 -9.270 7.677 410 HB2 SER 52 1HB SER 52 4.878 -9.022 5.442 411 HB3 SER 52 2HB SER 52 4.465 -7.309 5.503 412 HG SER 52 HG SER 52 6.061 -8.762 7.359 413 H GLU 53 H GLU 53 3.939 -7.781 9.333 414 HA GLU 53 HA GLU 53 1.802 -6.028 9.778 415 HB2 GLU 53 1HB GLU 53 4.490 -6.219 11.137 416 HB3 GLU 53 2HB GLU 53 3.176 -5.199 11.707 417 HG2 GLU 53 1HG GLU 53 1.757 -7.178 11.958 418 HG3 GLU 53 2HG GLU 53 3.093 -8.194 11.422 419 H ILE 54 H ILE 54 1.495 -3.911 9.509 420 HA ILE 54 HA ILE 54 3.265 -2.671 7.550 421 HB ILE 54 HB ILE 54 1.345 -1.129 7.156 422 HG12 ILE 54 1HG1 ILE 54 -0.056 -2.979 9.105 423 HG13 ILE 54 2HG1 ILE 54 0.303 -1.278 9.372 424 HG21 ILE 54 1HG2 ILE 54 0.748 -4.078 6.931 425 HG22 ILE 54 2HG2 ILE 54 1.674 -3.112 5.781 426 HG23 ILE 54 3HG2 ILE 54 -0.046 -2.796 6.014 427 HD11 ILE 54 3HD1 ILE 54 -1.209 -0.670 7.562 428 HD12 ILE 54 1HD1 ILE 54 -2.033 -1.624 8.796 429 HD13 ILE 54 2HD1 ILE 54 -1.555 -2.375 7.274 430 H LEU 55 H LEU 55 2.402 -2.385 10.842 431 HA LEU 55 HA LEU 55 2.872 0.421 11.099 432 HB2 LEU 55 1HB LEU 55 1.483 -0.886 12.688 433 HB3 LEU 55 2HB LEU 55 2.929 -1.712 13.233 434 HG LEU 55 HG LEU 55 3.841 0.418 14.058 435 HD11 LEU 55 1HD1 LEU 55 1.185 1.566 13.209 436 HD12 LEU 55 2HD1 LEU 55 2.747 1.913 12.470 437 HD13 LEU 55 3HD1 LEU 55 2.429 2.407 14.132 438 HD21 LEU 55 3HD2 LEU 55 2.335 0.690 15.942 439 HD22 LEU 55 1HD2 LEU 55 2.512 -1.018 15.541 440 HD23 LEU 55 2HD2 LEU 55 1.053 -0.146 15.065 441 H GLY 56 H GLY 56 4.815 1.056 10.368 442 HA2 GLY 56 1HA GLY 56 7.137 0.285 11.937 443 HA3 GLY 56 2HA GLY 56 7.218 -0.078 10.218 444 H VAL 57 H VAL 57 9.058 1.382 10.211 445 HA VAL 57 HA VAL 57 8.185 4.180 9.985 446 HB VAL 57 HB VAL 57 10.400 4.914 10.818 447 HG11 VAL 57 1HG1 VAL 57 8.847 3.202 12.756 448 HG12 VAL 57 2HG1 VAL 57 8.485 4.874 12.322 449 HG13 VAL 57 3HG1 VAL 57 9.973 4.489 13.187 450 HG21 VAL 57 3HG2 VAL 57 11.686 2.900 10.334 451 HG22 VAL 57 1HG2 VAL 57 10.770 2.009 11.550 452 HG23 VAL 57 2HG2 VAL 57 11.825 3.335 12.037 453 H PHE 58 H PHE 58 9.270 5.435 8.432 454 HA PHE 58 HA PHE 58 9.977 4.198 6.038 455 HB2 PHE 58 1HB PHE 58 10.477 6.964 7.112 456 HB3 PHE 58 2HB PHE 58 11.070 6.482 5.528 457 HD1 PHE 58 HD2 PHE 58 7.902 6.473 7.510 458 HD2 PHE 58 HD1 PHE 58 9.757 6.888 3.709 459 HE1 PHE 58 HE2 PHE 58 5.729 7.047 6.511 460 HE2 PHE 58 HE1 PHE 58 7.589 7.464 2.707 461 HZ PHE 58 HZ PHE 58 5.569 7.543 4.108 462 H THR 59 H THR 59 11.758 3.285 5.310 463 HA THR 59 HA THR 59 14.232 3.538 6.887 464 HB THR 59 HB THR 59 13.825 1.221 5.054 465 HG1 THR 59 HG1 THR 59 12.144 1.852 7.173 466 HG21 THR 59 3HG2 THR 59 14.950 1.542 7.842 467 HG22 THR 59 1HG2 THR 59 15.874 1.379 6.351 468 HG23 THR 59 2HG2 THR 59 14.911 0.027 6.940 469 H GLU 60 H GLU 60 16.177 2.784 5.282 470 HA GLU 60 HA GLU 60 16.196 4.784 3.202 471 HB2 GLU 60 1HB GLU 60 18.314 2.783 4.004 472 HB3 GLU 60 2HB GLU 60 18.547 4.136 2.907 473 HG2 GLU 60 1HG GLU 60 18.052 5.692 4.730 474 HG3 GLU 60 2HG GLU 60 17.839 4.326 5.826 475 H SER 61 H SER 61 14.840 1.906 3.235 476 HA SER 61 HA SER 61 15.483 1.382 0.421 477 HB2 SER 61 1HB SER 61 14.526 -0.994 1.118 478 HB3 SER 61 2HB SER 61 16.219 -0.581 1.392 479 HG SER 61 HG SER 61 15.734 -0.104 3.532 480 HA PRO 62 HA PRO 62 11.298 2.625 -0.308 481 HB2 PRO 62 1HB PRO 62 11.519 0.913 -2.716 482 HB3 PRO 62 2HB PRO 62 11.137 2.634 -2.592 483 HG2 PRO 62 1HG PRO 62 13.510 1.798 -3.492 484 HG3 PRO 62 2HG PRO 62 13.361 3.254 -2.491 485 HD2 PRO 62 1HD PRO 62 14.288 0.514 -1.731 486 HD3 PRO 62 2HD PRO 62 14.898 2.096 -1.204 487 H GLN 63 H GLN 63 9.782 1.692 0.918 488 HA GLN 63 HA GLN 63 9.436 -1.216 0.765 489 HB2 GLN 63 1HB GLN 63 9.850 -0.174 3.001 490 HB3 GLN 63 2HB GLN 63 8.340 0.711 2.823 491 HG2 GLN 63 1HG GLN 63 7.109 -1.393 2.739 492 HG3 GLN 63 2HG GLN 63 8.619 -2.286 2.898 493 HE21 GLN 63 2HE2 GLN 63 9.706 -0.317 4.793 494 HE22 GLN 63 1HE2 GLN 63 8.907 -0.630 6.290 495 H THR 64 H THR 64 7.487 -2.127 0.250 496 HA THR 64 HA THR 64 5.358 -0.274 -0.546 497 HB THR 64 HB THR 64 6.456 -1.107 -2.566 498 HG1 THR 64 HG1 THR 64 4.012 -0.950 -2.242 499 HG21 THR 64 3HG2 THR 64 7.341 -3.221 -1.744 500 HG22 THR 64 1HG2 THR 64 6.341 -3.491 -3.170 501 HG23 THR 64 2HG2 THR 64 5.706 -3.858 -1.567 502 H ILE 65 H ILE 65 3.387 -0.725 0.190 503 HA ILE 65 HA ILE 65 3.096 -3.116 1.864 504 HB ILE 65 HB ILE 65 1.416 -0.602 1.772 505 HG12 ILE 65 1HG1 ILE 65 3.405 -1.575 3.836 506 HG13 ILE 65 2HG1 ILE 65 3.679 -0.260 2.697 507 HG21 ILE 65 1HG2 ILE 65 0.101 -2.554 2.419 508 HG22 ILE 65 2HG2 ILE 65 0.341 -1.471 3.790 509 HG23 ILE 65 3HG2 ILE 65 1.289 -2.952 3.662 510 HD11 ILE 65 3HD1 ILE 65 1.860 1.003 3.734 511 HD12 ILE 65 1HD1 ILE 65 3.127 0.593 4.891 512 HD13 ILE 65 2HD1 ILE 65 1.613 -0.312 4.885 513 H ASN 66 H ASN 66 2.141 -4.777 0.927 514 HA ASN 66 HA ASN 66 0.395 -4.395 -1.352 515 HB2 ASN 66 1HB ASN 66 1.526 -6.840 0.003 516 HB3 ASN 66 2HB ASN 66 0.328 -6.948 -1.282 517 HD21 ASN 66 2HD2 ASN 66 3.171 -7.797 -1.099 518 HD22 ASN 66 1HD2 ASN 66 3.939 -7.083 -2.482 519 H ILE 67 H ILE 67 -1.472 -3.503 -0.594 520 HA ILE 67 HA ILE 67 -2.950 -4.940 1.481 521 HB ILE 67 HB ILE 67 -3.597 -2.327 0.091 522 HG12 ILE 67 1HG1 ILE 67 -2.517 -2.931 2.854 523 HG13 ILE 67 2HG1 ILE 67 -1.665 -2.111 1.551 524 HG21 ILE 67 1HG2 ILE 67 -5.337 -2.071 1.788 525 HG22 ILE 67 2HG2 ILE 67 -4.946 -3.666 2.432 526 HG23 ILE 67 3HG2 ILE 67 -5.610 -3.511 0.805 527 HD11 ILE 67 3HD1 ILE 67 -4.095 -1.083 2.996 528 HD12 ILE 67 1HD1 ILE 67 -3.252 -0.259 1.684 529 HD13 ILE 67 2HD1 ILE 67 -2.433 -0.536 3.222 530 H ILE 68 H ILE 68 -3.823 -6.708 0.616 531 HA ILE 68 HA ILE 68 -4.837 -6.652 -2.108 532 HB ILE 68 HB ILE 68 -4.498 -8.970 -0.201 533 HG12 ILE 68 1HG1 ILE 68 -2.836 -8.117 -2.583 534 HG13 ILE 68 2HG1 ILE 68 -2.383 -7.877 -0.899 535 HG21 ILE 68 1HG2 ILE 68 -6.251 -9.391 -1.847 536 HG22 ILE 68 2HG2 ILE 68 -4.832 -10.388 -2.165 537 HG23 ILE 68 3HG2 ILE 68 -5.142 -8.958 -3.148 538 HD11 ILE 68 3HD1 ILE 68 -1.234 -9.779 -1.853 539 HD12 ILE 68 1HD1 ILE 68 -2.777 -10.525 -2.265 540 HD13 ILE 68 2HD1 ILE 68 -2.334 -10.294 -0.574 541 H TYR 69 H TYR 69 -6.849 -6.089 -2.423 542 HA TYR 69 HA TYR 69 -8.896 -6.797 -0.448 543 HB2 TYR 69 1HB TYR 69 -8.808 -4.812 -2.708 544 HB3 TYR 69 2HB TYR 69 -10.340 -5.323 -2.009 545 HD1 TYR 69 HD2 TYR 69 -10.790 -4.878 0.410 546 HD2 TYR 69 HD1 TYR 69 -7.426 -3.228 -1.604 547 HE1 TYR 69 HE2 TYR 69 -10.548 -3.212 2.197 548 HE2 TYR 69 HE1 TYR 69 -7.176 -1.554 0.181 549 HH TYR 69 HH TYR 69 -8.942 -1.756 3.149 550 H GLN 70 H GLN 70 -10.347 -8.335 -0.851 551 HA GLN 70 HA GLN 70 -9.997 -9.869 -3.297 552 HB2 GLN 70 1HB GLN 70 -9.966 -10.928 -1.008 553 HB3 GLN 70 2HB GLN 70 -11.678 -10.545 -0.880 554 HG2 GLN 70 1HG GLN 70 -12.184 -11.962 -2.756 555 HG3 GLN 70 2HG GLN 70 -10.469 -12.271 -3.029 556 HE21 GLN 70 2HE2 GLN 70 -10.624 -14.456 -2.773 557 HE22 GLN 70 1HE2 GLN 70 -10.926 -15.206 -1.232 558 H LYS 71 H LYS 71 -11.545 -10.212 -4.781 559 HA LYS 71 HA LYS 71 -13.562 -8.266 -5.100 560 HB2 LYS 71 1HB LYS 71 -12.502 -9.270 -7.028 561 HB3 LYS 71 2HB LYS 71 -13.058 -10.868 -6.552 562 HG2 LYS 71 1HG LYS 71 -15.350 -10.239 -6.974 563 HG3 LYS 71 2HG LYS 71 -14.856 -8.584 -7.342 564 HD2 LYS 71 1HD LYS 71 -13.614 -9.345 -9.271 565 HD3 LYS 71 2HD LYS 71 -13.958 -11.027 -8.865 566 HE2 LYS 71 1HE LYS 71 -16.106 -9.002 -9.447 567 HE3 LYS 71 2HE LYS 71 -15.377 -10.014 -10.692 568 HZ1 LYS 71 3HZ LYS 71 -16.182 -11.963 -9.631 569 HZ2 LYS 71 1HZ LYS 71 -17.490 -10.890 -9.755 570 HZ3 LYS 71 2HZ LYS 71 -16.703 -11.103 -8.266 571 H LYS 72 H LYS 72 -15.245 -8.177 -3.829 572 HA LYS 72 HA LYS 72 -16.478 -10.395 -2.564 573 HB2 LYS 72 1HB LYS 72 -18.249 -8.734 -1.988 574 HB3 LYS 72 2HB LYS 72 -16.627 -8.200 -1.572 575 HG2 LYS 72 1HG LYS 72 -16.703 -7.036 -3.898 576 HG3 LYS 72 2HG LYS 72 -18.449 -7.221 -3.722 577 HD2 LYS 72 1HD LYS 72 -16.672 -5.915 -1.668 578 HD3 LYS 72 2HD LYS 72 -17.542 -5.034 -2.922 579 HE2 LYS 72 1HE LYS 72 -18.834 -6.797 -0.844 580 HE3 LYS 72 2HE LYS 72 -18.696 -5.043 -0.729 581 HZ1 LYS 72 3HZ LYS 72 -19.954 -4.930 -2.864 582 HZ2 LYS 72 1HZ LYS 72 -20.842 -5.553 -1.562 583 HZ3 LYS 72 2HZ LYS 72 -20.225 -6.598 -2.737 584 H ALA 73 H ALA 73 -18.276 -11.551 -3.120 585 HA ALA 73 HA ALA 73 -18.965 -11.525 -5.933 586 HB1 ALA 73 3HB ALA 73 -18.554 -13.649 -4.769 587 HB2 ALA 73 1HB ALA 73 -20.180 -13.576 -5.446 588 HB3 ALA 73 2HB ALA 73 -19.933 -13.331 -3.718 589 HA PRO 74 HA PRO 74 -22.678 -9.124 -5.665 590 HB2 PRO 74 1HB PRO 74 -23.820 -11.187 -7.483 591 HB3 PRO 74 2HB PRO 74 -23.753 -9.432 -7.677 592 HG2 PRO 74 1HG PRO 74 -22.136 -11.020 -9.074 593 HG3 PRO 74 2HG PRO 74 -21.564 -9.467 -8.434 594 HD2 PRO 74 1HD PRO 74 -21.051 -12.236 -7.434 595 HD3 PRO 74 2HD PRO 74 -19.963 -10.834 -7.483 596 H GLU 75 H GLU 75 -24.104 -9.185 -4.056 597 HA GLU 75 HA GLU 75 -24.714 -11.549 -2.627 598 HB2 GLU 75 1HB GLU 75 -26.049 -8.838 -2.574 599 HB3 GLU 75 2HB GLU 75 -26.346 -10.122 -1.412 600 HG2 GLU 75 1HG GLU 75 -24.037 -10.025 -0.681 601 HG3 GLU 75 2HG GLU 75 -23.696 -8.778 -1.880 602 H GLN 76 H GLN 76 -27.028 -12.193 -2.163 603 HA GLN 76 HA GLN 76 -28.251 -13.063 -4.563 604 HB2 GLN 76 1HB GLN 76 -29.424 -13.011 -1.777 605 HB3 GLN 76 2HB GLN 76 -29.978 -13.995 -3.125 606 HG2 GLN 76 1HG GLN 76 -27.847 -15.186 -3.138 607 HG3 GLN 76 2HG GLN 76 -27.291 -14.203 -1.783 608 HE21 GLN 76 2HE2 GLN 76 -27.603 -17.088 -1.947 609 HE22 GLN 76 1HE2 GLN 76 -28.723 -17.527 -0.699 610 H ALA 77 H ALA 77 -28.398 -10.126 -2.935 611 HA ALA 77 HA ALA 77 -31.046 -9.388 -3.841 612 HB1 ALA 77 3HB ALA 77 -30.554 -7.219 -2.834 613 HB2 ALA 77 1HB ALA 77 -28.887 -7.720 -2.554 614 HB3 ALA 77 2HB ALA 77 -30.204 -8.532 -1.710 615 H LEU 78 H LEU 78 -28.030 -9.644 -5.234 616 HA LEU 78 HA LEU 78 -28.638 -7.540 -7.204 617 HB2 LEU 78 1HB LEU 78 -26.542 -7.172 -5.939 618 HB3 LEU 78 2HB LEU 78 -25.947 -8.723 -6.503 619 HG LEU 78 HG LEU 78 -26.006 -7.888 -8.827 620 HD11 LEU 78 1HD1 LEU 78 -26.328 -5.496 -9.238 621 HD12 LEU 78 2HD1 LEU 78 -26.768 -5.267 -7.546 622 HD13 LEU 78 3HD1 LEU 78 -27.788 -6.250 -8.597 623 HD21 LEU 78 3HD2 LEU 78 -23.952 -7.731 -7.524 624 HD22 LEU 78 1HD2 LEU 78 -24.448 -6.151 -6.916 625 HD23 LEU 78 2HD2 LEU 78 -24.105 -6.367 -8.632 626 H GLU 79 H GLU 79 -29.136 -8.215 -9.163 627 HA GLU 79 HA GLU 79 -28.636 -11.021 -9.857 628 HB2 GLU 79 1HB GLU 79 -30.784 -9.074 -10.647 629 HB3 GLU 79 2HB GLU 79 -30.471 -10.517 -11.601 630 HG2 GLU 79 1HG GLU 79 -31.128 -10.544 -8.667 631 HG3 GLU 79 2HG GLU 79 -32.314 -10.746 -9.957 632 H HIS 80 H HIS 80 -28.283 -11.485 -12.148 633 HA HIS 80 HA HIS 80 -26.277 -9.796 -13.306 634 HB2 HIS 80 1HB HIS 80 -26.026 -12.167 -13.573 635 HB3 HIS 80 2HB HIS 80 -27.647 -12.328 -14.234 636 HD1 HIS 80 HD1 HIS 80 -27.802 -12.414 -16.696 637 HD2 HIS 80 HD2 HIS 80 -24.253 -10.655 -15.416 638 HE1 HIS 80 HE1 HIS 80 -26.456 -11.999 -18.784 639 HE2 HIS 80 HE2 HIS 80 -24.241 -11.106 -17.966 640 H HIS 81 H HIS 81 -29.628 -10.622 -14.000 641 HA HIS 81 HA HIS 81 -29.813 -8.209 -15.674 642 HB2 HIS 81 1HB HIS 81 -29.739 -10.334 -17.061 643 HB3 HIS 81 2HB HIS 81 -31.253 -10.798 -16.293 644 HD1 HIS 81 HD1 HIS 81 -29.829 -8.100 -18.523 645 HD2 HIS 81 HD2 HIS 81 -33.493 -9.753 -17.461 646 HE1 HIS 81 HE1 HIS 81 -31.526 -7.025 -20.042 647 HE2 HIS 81 HE2 HIS 81 -33.749 -7.937 -19.286 648 H HIS 82 H HIS 82 -31.837 -7.124 -15.520 649 HA HIS 82 HA HIS 82 -33.395 -8.019 -13.182 650 HB2 HIS 82 1HB HIS 82 -32.981 -5.191 -14.177 651 HB3 HIS 82 2HB HIS 82 -33.884 -5.661 -12.741 652 HD1 HIS 82 HD1 HIS 82 -32.386 -6.825 -10.805 653 HD2 HIS 82 HD2 HIS 82 -30.324 -4.747 -13.762 654 HE1 HIS 82 HE1 HIS 82 -30.094 -6.387 -9.856 655 HE2 HIS 82 HE2 HIS 82 -28.883 -5.070 -11.635 656 H HIS 83 H HIS 83 -35.674 -7.326 -13.176 657 HA HIS 83 HA HIS 83 -36.878 -7.744 -15.774 658 HB2 HIS 83 1HB HIS 83 -37.958 -7.485 -12.978 659 HB3 HIS 83 2HB HIS 83 -39.036 -7.431 -14.369 660 HD1 HIS 83 HD1 HIS 83 -37.229 -9.765 -12.177 661 HD2 HIS 83 HD2 HIS 83 -39.016 -9.857 -15.933 662 HE1 HIS 83 HE1 HIS 83 -37.479 -12.198 -12.754 663 HE2 HIS 83 HE2 HIS 83 -38.357 -12.217 -15.120 664 H HIS 84 H HIS 84 -35.999 -5.121 -13.774 665 HA HIS 84 HA HIS 84 -37.679 -3.262 -15.285 666 HB2 HIS 84 1HB HIS 84 -35.991 -2.928 -12.809 667 HB3 HIS 84 2HB HIS 84 -36.670 -1.553 -13.675 668 HD1 HIS 84 HD1 HIS 84 -39.318 -1.422 -13.754 669 HD2 HIS 84 HD2 HIS 84 -37.732 -4.224 -11.119 670 HE1 HIS 84 HE1 HIS 84 -41.205 -2.044 -12.207 671 HE2 HIS 84 HE2 HIS 84 -40.261 -3.846 -10.714 672 H HIS 85 H HIS 85 -34.663 -4.650 -15.480 673 HA HIS 85 HA HIS 85 -33.823 -2.823 -17.521 674 HB2 HIS 85 1HB HIS 85 -32.794 -2.471 -14.853 675 HB3 HIS 85 2HB HIS 85 -31.495 -2.979 -15.927 676 HD1 HIS 85 HD1 HIS 85 -30.567 -1.258 -17.519 677 HD2 HIS 85 HD2 HIS 85 -34.067 -0.014 -15.647 678 HE1 HIS 85 HE1 HIS 85 -30.851 1.157 -18.147 679 HE2 HIS 85 HE2 HIS 85 -33.088 1.817 -17.187 Start of MODEL 14 1 H1 MET 1 1H MET 1 17.556 7.634 -10.315 2 H2 MET 1 2H MET 1 19.080 8.148 -9.773 3 H3 MET 1 3H MET 1 17.994 9.267 -10.438 4 HA MET 1 HA MET 1 16.451 8.854 -8.611 5 HB2 MET 1 1HB MET 1 18.776 7.237 -7.543 6 HB3 MET 1 2HB MET 1 17.376 7.713 -6.595 7 HG2 MET 1 1HG MET 1 15.937 6.428 -8.119 8 HG3 MET 1 2HG MET 1 17.370 5.913 -9.006 9 HE1 MET 1 3HE MET 1 19.294 4.402 -7.945 10 HE2 MET 1 1HE MET 1 19.255 3.783 -6.294 11 HE3 MET 1 2HE MET 1 19.457 5.511 -6.584 12 H ASP 2 H ASP 2 16.367 10.630 -7.395 13 HA ASP 2 HA ASP 2 18.515 12.486 -7.398 14 HB2 ASP 2 1HB ASP 2 15.927 12.424 -5.836 15 HB3 ASP 2 2HB ASP 2 17.058 13.772 -5.789 16 H PHE 3 H PHE 3 17.161 10.360 -4.943 17 HA PHE 3 HA PHE 3 19.720 10.525 -3.510 18 HB2 PHE 3 1HB PHE 3 16.942 10.458 -2.312 19 HB3 PHE 3 2HB PHE 3 18.394 10.086 -1.391 20 HD1 PHE 3 HD2 PHE 3 20.057 11.839 -0.939 21 HD2 PHE 3 HD1 PHE 3 16.357 12.703 -2.859 22 HE1 PHE 3 HE2 PHE 3 20.364 14.229 -0.446 23 HE2 PHE 3 HE1 PHE 3 16.658 15.095 -2.368 24 HZ PHE 3 HZ PHE 3 18.663 15.861 -1.161 25 H GLY 4 H GLY 4 20.321 8.557 -2.417 26 HA2 GLY 4 1HA GLY 4 19.561 6.215 -3.907 27 HA3 GLY 4 2HA GLY 4 20.694 6.275 -2.562 28 H LYS 5 H LYS 5 18.651 7.650 -0.902 29 HA LYS 5 HA LYS 5 16.726 5.486 -0.501 30 HB2 LYS 5 1HB LYS 5 17.085 5.747 1.988 31 HB3 LYS 5 2HB LYS 5 18.385 4.964 1.105 32 HG2 LYS 5 1HG LYS 5 19.616 7.114 1.100 33 HG3 LYS 5 2HG LYS 5 18.337 7.804 2.105 34 HD2 LYS 5 1HD LYS 5 18.773 6.062 3.797 35 HD3 LYS 5 2HD LYS 5 20.099 5.458 2.802 36 HE2 LYS 5 1HE LYS 5 21.231 7.619 3.006 37 HE3 LYS 5 2HE LYS 5 19.905 8.217 4.003 38 HZ1 LYS 5 3HZ LYS 5 21.676 7.521 5.424 39 HZ2 LYS 5 1HZ LYS 5 21.770 6.003 4.664 40 HZ3 LYS 5 2HZ LYS 5 20.406 6.401 5.585 41 HA PRO 6 HA PRO 6 14.508 9.414 -0.467 42 HB2 PRO 6 1HB PRO 6 12.416 8.621 -1.926 43 HB3 PRO 6 2HB PRO 6 13.994 8.917 -2.661 44 HG2 PRO 6 1HG PRO 6 12.662 6.337 -2.007 45 HG3 PRO 6 2HG PRO 6 13.726 6.740 -3.362 46 HD2 PRO 6 1HD PRO 6 14.467 5.411 -0.999 47 HD3 PRO 6 2HD PRO 6 15.567 6.107 -2.204 48 H ASN 7 H ASN 7 13.868 6.527 1.108 49 HA ASN 7 HA ASN 7 12.411 5.842 2.720 50 HB2 ASN 7 1HB ASN 7 11.900 8.808 3.062 51 HB3 ASN 7 2HB ASN 7 11.499 7.552 4.226 52 HD21 ASN 7 2HD2 ASN 7 13.169 9.876 4.559 53 HD22 ASN 7 1HD2 ASN 7 14.737 9.299 5.005 54 H GLN 8 H GLN 8 11.381 5.705 0.180 55 HA GLN 8 HA GLN 8 8.725 6.889 0.196 56 HB2 GLN 8 1HB GLN 8 10.267 5.313 -1.852 57 HB3 GLN 8 2HB GLN 8 8.563 5.683 -2.054 58 HG2 GLN 8 1HG GLN 8 9.054 8.060 -1.994 59 HG3 GLN 8 2HG GLN 8 10.764 7.710 -1.734 60 HE21 GLN 8 2HE2 GLN 8 9.386 9.143 -3.919 61 HE22 GLN 8 1HE2 GLN 8 9.883 8.335 -5.372 62 H VAL 9 H VAL 9 7.191 5.880 1.290 63 HA VAL 9 HA VAL 9 7.061 2.964 1.307 64 HB VAL 9 HB VAL 9 5.342 5.068 2.642 65 HG11 VAL 9 1HG1 VAL 9 3.949 3.166 2.050 66 HG12 VAL 9 2HG1 VAL 9 4.225 3.204 3.791 67 HG13 VAL 9 3HG1 VAL 9 5.113 2.063 2.783 68 HG21 VAL 9 3HG2 VAL 9 6.289 4.157 4.707 69 HG22 VAL 9 1HG2 VAL 9 7.548 4.770 3.635 70 HG23 VAL 9 2HG2 VAL 9 7.267 3.034 3.763 71 H THR 10 H THR 10 5.931 1.888 -0.178 72 HA THR 10 HA THR 10 4.144 3.445 -1.929 73 HB THR 10 HB THR 10 5.506 0.830 -2.582 74 HG1 THR 10 HG1 THR 10 6.607 3.237 -2.294 75 HG21 THR 10 3HG2 THR 10 4.244 2.952 -4.324 76 HG22 THR 10 1HG2 THR 10 3.559 1.368 -3.963 77 HG23 THR 10 2HG2 THR 10 5.048 1.492 -4.901 78 H VAL 11 H VAL 11 2.101 3.149 -1.234 79 HA VAL 11 HA VAL 11 1.257 0.518 -0.290 80 HB VAL 11 HB VAL 11 -0.292 3.110 -0.436 81 HG11 VAL 11 1HG1 VAL 11 -1.768 1.181 -0.527 82 HG12 VAL 11 2HG1 VAL 11 -1.909 1.996 1.031 83 HG13 VAL 11 3HG1 VAL 11 -0.987 0.498 0.899 84 HG21 VAL 11 3HG2 VAL 11 1.044 1.750 1.900 85 HG22 VAL 11 1HG2 VAL 11 0.010 3.177 2.002 86 HG23 VAL 11 2HG2 VAL 11 1.546 3.260 1.139 87 H ASN 12 H ASN 12 0.557 -0.921 -1.709 88 HA ASN 12 HA ASN 12 -0.650 0.038 -4.221 89 HB2 ASN 12 1HB ASN 12 1.549 -1.294 -4.259 90 HB3 ASN 12 2HB ASN 12 0.582 -2.680 -3.772 91 HD21 ASN 12 2HD2 ASN 12 2.124 -2.258 -6.177 92 HD22 ASN 12 1HD2 ASN 12 1.029 -2.416 -7.506 93 H TYR 13 H TYR 13 -2.731 -0.416 -4.534 94 HA TYR 13 HA TYR 13 -4.090 -2.177 -2.642 95 HB2 TYR 13 1HB TYR 13 -5.213 -0.272 -4.707 96 HB3 TYR 13 2HB TYR 13 -6.166 -1.197 -3.555 97 HD1 TYR 13 HD2 TYR 13 -3.851 1.629 -3.962 98 HD2 TYR 13 HD1 TYR 13 -6.319 -0.523 -1.245 99 HE1 TYR 13 HE2 TYR 13 -3.683 3.478 -2.355 100 HE2 TYR 13 HE1 TYR 13 -6.160 1.326 0.368 101 HH TYR 13 HH TYR 13 -4.647 3.212 0.881 102 H LEU 14 H LEU 14 -4.069 -4.249 -3.240 103 HA LEU 14 HA LEU 14 -4.319 -4.906 -6.090 104 HB2 LEU 14 1HB LEU 14 -3.497 -6.683 -3.795 105 HB3 LEU 14 2HB LEU 14 -3.444 -7.091 -5.499 106 HG LEU 14 HG LEU 14 -1.805 -4.936 -4.185 107 HD11 LEU 14 1HD1 LEU 14 -1.007 -7.679 -5.142 108 HD12 LEU 14 2HD1 LEU 14 -1.113 -7.156 -3.461 109 HD13 LEU 14 3HD1 LEU 14 0.090 -6.440 -4.532 110 HD21 LEU 14 3HD2 LEU 14 -2.293 -4.453 -6.518 111 HD22 LEU 14 1HD2 LEU 14 -1.708 -6.051 -6.981 112 HD23 LEU 14 2HD2 LEU 14 -0.593 -4.865 -6.300 113 H ASP 15 H ASP 15 -5.976 -5.992 -6.869 114 HA ASP 15 HA ASP 15 -8.184 -6.639 -5.042 115 HB2 ASP 15 1HB ASP 15 -8.785 -5.058 -6.765 116 HB3 ASP 15 2HB ASP 15 -8.146 -6.113 -8.018 117 H GLU 16 H GLU 16 -7.626 -8.641 -4.359 118 HA GLU 16 HA GLU 16 -7.623 -10.887 -4.286 119 HB2 GLU 16 1HB GLU 16 -9.851 -10.583 -5.220 120 HB3 GLU 16 2HB GLU 16 -9.191 -10.619 -6.849 121 HG2 GLU 16 1HG GLU 16 -8.544 -12.911 -6.600 122 HG3 GLU 16 2HG GLU 16 -8.995 -12.897 -4.896 123 H ASN 17 H ASN 17 -7.389 -10.515 -7.823 124 HA ASN 17 HA ASN 17 -5.394 -12.604 -7.926 125 HB2 ASN 17 1HB ASN 17 -6.598 -10.890 -10.112 126 HB3 ASN 17 2HB ASN 17 -5.512 -12.248 -10.383 127 HD21 ASN 17 2HD2 ASN 17 -6.704 -13.837 -8.226 128 HD22 ASN 17 1HD2 ASN 17 -8.228 -14.390 -8.834 129 H ASN 18 H ASN 18 -4.826 -9.952 -6.668 130 HA ASN 18 HA ASN 18 -3.036 -8.608 -6.364 131 HB2 ASN 18 1HB ASN 18 -1.714 -10.511 -8.306 132 HB3 ASN 18 2HB ASN 18 -0.861 -9.256 -7.411 133 HD21 ASN 18 2HD2 ASN 18 -0.481 -12.121 -7.337 134 HD22 ASN 18 1HD2 ASN 18 -0.730 -12.606 -5.692 135 H THR 19 H THR 19 -4.995 -8.155 -8.549 136 HA THR 19 HA THR 19 -3.454 -6.589 -10.457 137 HB THR 19 HB THR 19 -6.453 -6.945 -10.222 138 HG1 THR 19 HG1 THR 19 -4.552 -8.242 -11.928 139 HG21 THR 19 3HG2 THR 19 -6.495 -6.141 -12.544 140 HG22 THR 19 1HG2 THR 19 -4.753 -5.877 -12.483 141 HG23 THR 19 2HG2 THR 19 -5.826 -4.926 -11.456 142 H SER 20 H SER 20 -2.930 -4.541 -10.018 143 HA SER 20 HA SER 20 -3.924 -3.105 -7.801 144 HB2 SER 20 1HB SER 20 -2.458 -2.058 -10.237 145 HB3 SER 20 2HB SER 20 -2.622 -1.228 -8.688 146 HG SER 20 HG SER 20 -1.276 -2.649 -7.750 147 H ILE 21 H ILE 21 -5.895 -2.278 -7.621 148 HA ILE 21 HA ILE 21 -7.320 -1.431 -10.045 149 HB ILE 21 HB ILE 21 -9.319 -1.311 -8.511 150 HG12 ILE 21 1HG1 ILE 21 -7.472 -2.804 -6.630 151 HG13 ILE 21 2HG1 ILE 21 -8.032 -1.152 -6.394 152 HG21 ILE 21 1HG2 ILE 21 -9.658 -3.738 -8.522 153 HG22 ILE 21 2HG2 ILE 21 -7.940 -3.969 -8.848 154 HG23 ILE 21 3HG2 ILE 21 -8.962 -3.159 -10.035 155 HD11 ILE 21 3HD1 ILE 21 -10.326 -1.951 -6.226 156 HD12 ILE 21 1HD1 ILE 21 -9.284 -2.726 -5.032 157 HD13 ILE 21 2HD1 ILE 21 -9.772 -3.605 -6.481 158 H ALA 22 H ALA 22 -5.666 -0.161 -7.376 159 HA ALA 22 HA ALA 22 -6.884 2.480 -7.836 160 HB1 ALA 22 3HB ALA 22 -5.778 1.423 -5.234 161 HB2 ALA 22 1HB ALA 22 -7.488 1.594 -5.627 162 HB3 ALA 22 2HB ALA 22 -6.465 3.025 -5.498 163 HA PRO 23 HA PRO 23 -2.907 4.063 -8.899 164 HB2 PRO 23 1HB PRO 23 -3.411 6.322 -7.047 165 HB3 PRO 23 2HB PRO 23 -3.070 6.342 -8.780 166 HG2 PRO 23 1HG PRO 23 -5.523 6.842 -7.862 167 HG3 PRO 23 2HG PRO 23 -5.274 5.916 -9.354 168 HD2 PRO 23 1HD PRO 23 -5.975 4.944 -6.612 169 HD3 PRO 23 2HD PRO 23 -6.572 4.394 -8.191 170 H SER 24 H SER 24 -0.818 4.144 -8.156 171 HA SER 24 HA SER 24 -0.241 2.879 -5.691 172 HB2 SER 24 1HB SER 24 1.189 2.765 -7.745 173 HB3 SER 24 2HB SER 24 1.641 4.447 -7.473 174 HG SER 24 HG SER 24 2.694 2.250 -6.402 175 H LEU 25 H LEU 25 -0.282 3.764 -3.744 176 HA LEU 25 HA LEU 25 -0.277 6.661 -3.489 177 HB2 LEU 25 1HB LEU 25 -1.992 5.381 -2.320 178 HB3 LEU 25 2HB LEU 25 -0.762 4.474 -1.468 179 HG LEU 25 HG LEU 25 -0.045 6.553 -0.333 180 HD11 LEU 25 1HD1 LEU 25 -2.440 7.755 -1.715 181 HD12 LEU 25 2HD1 LEU 25 -0.751 8.167 -2.010 182 HD13 LEU 25 3HD1 LEU 25 -1.487 8.529 -0.449 183 HD21 LEU 25 3HD2 LEU 25 -1.617 5.050 0.746 184 HD22 LEU 25 1HD2 LEU 25 -2.965 5.855 -0.058 185 HD23 LEU 25 2HD2 LEU 25 -2.002 6.727 1.136 186 H TYR 26 H TYR 26 1.674 7.550 -3.468 187 HA TYR 26 HA TYR 26 3.916 6.170 -2.249 188 HB2 TYR 26 1HB TYR 26 3.738 8.754 -3.804 189 HB3 TYR 26 2HB TYR 26 5.233 8.125 -3.117 190 HD1 TYR 26 HD2 TYR 26 6.177 5.989 -3.971 191 HD2 TYR 26 HD1 TYR 26 2.848 7.876 -5.830 192 HE1 TYR 26 HE2 TYR 26 6.544 4.632 -5.989 193 HE2 TYR 26 HE1 TYR 26 3.206 6.525 -7.852 194 HH TYR 26 HH TYR 26 5.128 5.325 -8.947 195 H LEU 27 H LEU 27 4.129 6.318 -0.169 196 HA LEU 27 HA LEU 27 3.442 8.824 1.198 197 HB2 LEU 27 1HB LEU 27 2.293 6.780 1.939 198 HB3 LEU 27 2HB LEU 27 3.839 6.025 2.262 199 HG LEU 27 HG LEU 27 4.266 7.601 4.069 200 HD11 LEU 27 1HD1 LEU 27 3.102 9.549 3.180 201 HD12 LEU 27 2HD1 LEU 27 2.531 9.157 4.802 202 HD13 LEU 27 3HD1 LEU 27 1.554 8.731 3.397 203 HD21 LEU 27 3HD2 LEU 27 2.514 6.839 5.592 204 HD22 LEU 27 1HD2 LEU 27 3.079 5.533 4.553 205 HD23 LEU 27 2HD2 LEU 27 1.541 6.325 4.215 206 H SER 28 H SER 28 5.249 10.056 1.048 207 HA SER 28 HA SER 28 7.845 8.831 1.633 208 HB2 SER 28 1HB SER 28 8.739 10.998 0.695 209 HB3 SER 28 2HB SER 28 7.807 10.030 -0.449 210 HG SER 28 HG SER 28 6.784 12.208 1.069 211 H GLY 29 H GLY 29 8.879 9.229 3.487 212 HA2 GLY 29 1HA GLY 29 8.229 11.652 4.998 213 HA3 GLY 29 2HA GLY 29 7.982 10.103 5.790 214 H LEU 30 H LEU 30 9.506 10.580 7.376 215 HA LEU 30 HA LEU 30 12.295 10.688 6.451 216 HB2 LEU 30 1HB LEU 30 11.083 11.663 9.039 217 HB3 LEU 30 2HB LEU 30 12.798 11.675 8.675 218 HG LEU 30 HG LEU 30 10.677 13.234 7.192 219 HD11 LEU 30 1HD1 LEU 30 12.821 14.139 9.106 220 HD12 LEU 30 2HD1 LEU 30 11.086 14.116 9.419 221 HD13 LEU 30 3HD1 LEU 30 11.746 15.194 8.189 222 HD21 LEU 30 3HD2 LEU 30 12.508 12.568 5.726 223 HD22 LEU 30 1HD2 LEU 30 13.678 13.212 6.878 224 HD23 LEU 30 2HD2 LEU 30 12.562 14.300 6.052 225 H PHE 31 H PHE 31 13.856 9.670 8.050 226 HA PHE 31 HA PHE 31 13.301 6.925 7.973 227 HB2 PHE 31 1HB PHE 31 15.561 7.891 7.811 228 HB3 PHE 31 2HB PHE 31 15.478 8.357 9.506 229 HD1 PHE 31 HD2 PHE 31 14.579 5.202 7.726 230 HD2 PHE 31 HD1 PHE 31 16.974 7.088 10.695 231 HE1 PHE 31 HE2 PHE 31 15.507 3.013 8.362 232 HE2 PHE 31 HE1 PHE 31 17.906 4.903 11.336 233 HZ PHE 31 HZ PHE 31 17.173 2.863 10.168 234 H ASN 32 H ASN 32 12.184 5.682 9.242 235 HA ASN 32 HA ASN 32 11.193 4.731 11.029 236 HB2 ASN 32 1HB ASN 32 13.454 6.155 12.398 237 HB3 ASN 32 2HB ASN 32 12.257 5.258 13.329 238 HD21 ASN 32 2HD2 ASN 32 15.111 4.741 12.996 239 HD22 ASN 32 1HD2 ASN 32 15.225 3.147 12.327 240 H GLU 33 H GLU 33 10.381 7.488 10.095 241 HA GLU 33 HA GLU 33 9.147 8.596 12.472 242 HB2 GLU 33 1HB GLU 33 9.958 10.057 10.641 243 HB3 GLU 33 2HB GLU 33 8.776 9.334 9.561 244 HG2 GLU 33 1HG GLU 33 6.965 10.234 10.862 245 HG3 GLU 33 2HG GLU 33 8.094 10.851 12.069 246 H ALA 34 H ALA 34 6.920 8.608 12.899 247 HA ALA 34 HA ALA 34 5.560 6.219 12.061 248 HB1 ALA 34 3HB ALA 34 5.424 7.016 14.369 249 HB2 ALA 34 1HB ALA 34 3.829 6.888 13.631 250 HB3 ALA 34 2HB ALA 34 4.590 8.468 13.817 251 H TYR 35 H TYR 35 3.797 6.017 10.773 252 HA TYR 35 HA TYR 35 2.680 8.423 9.547 253 HB2 TYR 35 1HB TYR 35 2.802 7.367 7.306 254 HB3 TYR 35 2HB TYR 35 4.385 7.719 7.983 255 HD1 TYR 35 HD1 TYR 35 2.027 5.040 7.086 256 HD2 TYR 35 HD2 TYR 35 5.908 5.951 8.564 257 HE1 TYR 35 HE1 TYR 35 2.709 2.708 6.713 258 HE2 TYR 35 HE2 TYR 35 6.597 3.626 8.197 259 HH TYR 35 HH TYR 35 5.004 1.483 6.316 260 H ASN 36 H ASN 36 0.654 8.064 8.468 261 HA ASN 36 HA ASN 36 -0.868 5.899 9.723 262 HB2 ASN 36 1HB ASN 36 -1.800 8.363 8.227 263 HB3 ASN 36 2HB ASN 36 -2.863 7.166 8.959 264 HD21 ASN 36 2HD2 ASN 36 -2.609 10.013 9.480 265 HD22 ASN 36 1HD2 ASN 36 -2.250 10.155 11.174 266 H VAL 37 H VAL 37 -1.935 4.354 8.558 267 HA VAL 37 HA VAL 37 -1.318 4.231 5.691 268 HB VAL 37 HB VAL 37 -2.296 2.004 7.493 269 HG11 VAL 37 1HG1 VAL 37 -2.890 1.694 5.143 270 HG12 VAL 37 2HG1 VAL 37 -1.667 0.528 5.650 271 HG13 VAL 37 3HG1 VAL 37 -1.203 1.929 4.681 272 HG21 VAL 37 3HG2 VAL 37 -0.006 1.141 7.380 273 HG22 VAL 37 1HG2 VAL 37 -0.065 2.727 8.150 274 HG23 VAL 37 2HG2 VAL 37 0.488 2.577 6.482 275 HA PRO 38 HA PRO 38 -5.690 5.360 5.531 276 HB2 PRO 38 1HB PRO 38 -5.177 6.214 2.812 277 HB3 PRO 38 2HB PRO 38 -5.571 7.198 4.222 278 HG2 PRO 38 1HG PRO 38 -3.133 7.234 2.993 279 HG3 PRO 38 2HG PRO 38 -3.372 7.607 4.709 280 HD2 PRO 38 1HD PRO 38 -2.423 5.066 3.435 281 HD3 PRO 38 2HD PRO 38 -1.841 5.875 4.908 282 H MET 39 H MET 39 -6.612 3.333 5.460 283 HA MET 39 HA MET 39 -6.523 1.645 3.153 284 HB2 MET 39 1HB MET 39 -8.506 1.729 5.442 285 HB3 MET 39 2HB MET 39 -8.392 0.446 4.246 286 HG2 MET 39 1HG MET 39 -6.144 -0.086 5.017 287 HG3 MET 39 2HG MET 39 -6.241 1.211 6.206 288 HE1 MET 39 3HE MET 39 -6.430 -1.984 8.453 289 HE2 MET 39 1HE MET 39 -5.613 -0.446 8.173 290 HE3 MET 39 2HE MET 39 -5.460 -1.752 6.998 291 H LYS 40 H LYS 40 -9.111 3.611 4.590 292 HA LYS 40 HA LYS 40 -10.767 4.877 3.712 293 HB2 LYS 40 1HB LYS 40 -9.251 4.506 1.128 294 HB3 LYS 40 2HB LYS 40 -10.669 5.533 1.298 295 HG2 LYS 40 1HG LYS 40 -9.543 7.012 2.754 296 HG3 LYS 40 2HG LYS 40 -8.197 5.891 2.966 297 HD2 LYS 40 1HD LYS 40 -8.879 6.977 0.258 298 HD3 LYS 40 2HD LYS 40 -7.907 7.921 1.387 299 HE2 LYS 40 1HE LYS 40 -6.419 6.720 -0.048 300 HE3 LYS 40 2HE LYS 40 -6.341 5.992 1.553 301 HZ1 LYS 40 3HZ LYS 40 -7.824 4.232 0.769 302 HZ2 LYS 40 1HZ LYS 40 -6.404 4.307 -0.154 303 HZ3 LYS 40 2HZ LYS 40 -7.855 4.931 -0.777 304 H LYS 41 H LYS 41 -12.759 4.699 2.558 305 HA LYS 41 HA LYS 41 -13.598 1.972 2.249 306 HB2 LYS 41 1HB LYS 41 -15.077 3.694 3.237 307 HB3 LYS 41 2HB LYS 41 -15.126 4.522 1.686 308 HG2 LYS 41 1HG LYS 41 -16.159 2.534 0.676 309 HG3 LYS 41 2HG LYS 41 -16.152 1.748 2.255 310 HD2 LYS 41 1HD LYS 41 -18.341 2.659 1.839 311 HD3 LYS 41 2HD LYS 41 -17.567 3.590 3.123 312 HE2 LYS 41 1HE LYS 41 -17.018 5.353 1.568 313 HE3 LYS 41 2HE LYS 41 -17.646 4.405 0.220 314 HZ1 LYS 41 3HZ LYS 41 -19.843 4.546 1.134 315 HZ2 LYS 41 1HZ LYS 41 -19.208 6.113 1.012 316 HZ3 LYS 41 2HZ LYS 41 -19.275 5.344 2.521 317 H ILE 42 H ILE 42 -13.121 0.877 0.490 318 HA ILE 42 HA ILE 42 -13.117 2.208 -2.119 319 HB ILE 42 HB ILE 42 -12.434 -0.694 -1.652 320 HG12 ILE 42 1HG1 ILE 42 -10.569 1.676 -1.364 321 HG13 ILE 42 2HG1 ILE 42 -11.098 0.622 -0.058 322 HG21 ILE 42 1HG2 ILE 42 -10.891 -0.211 -3.588 323 HG22 ILE 42 2HG2 ILE 42 -11.687 1.357 -3.730 324 HG23 ILE 42 3HG2 ILE 42 -12.612 -0.129 -3.954 325 HD11 ILE 42 3HD1 ILE 42 -9.948 -1.254 -1.098 326 HD12 ILE 42 1HD1 ILE 42 -8.844 0.085 -0.784 327 HD13 ILE 42 2HD1 ILE 42 -9.432 -0.207 -2.421 328 H LYS 43 H LYS 43 -14.188 0.741 -3.914 329 HA LYS 43 HA LYS 43 -16.934 0.621 -3.311 330 HB2 LYS 43 1HB LYS 43 -15.970 1.079 -5.565 331 HB3 LYS 43 2HB LYS 43 -15.527 -0.620 -5.678 332 HG2 LYS 43 1HG LYS 43 -17.949 -1.180 -5.394 333 HG3 LYS 43 2HG LYS 43 -18.296 0.544 -5.534 334 HD2 LYS 43 1HD LYS 43 -17.129 0.525 -7.739 335 HD3 LYS 43 2HD LYS 43 -17.005 -1.230 -7.599 336 HE2 LYS 43 1HE LYS 43 -18.916 -0.674 -8.957 337 HE3 LYS 43 2HE LYS 43 -19.468 -1.350 -7.425 338 HZ1 LYS 43 3HZ LYS 43 -20.769 0.582 -8.025 339 HZ2 LYS 43 1HZ LYS 43 -19.371 1.537 -8.125 340 HZ3 LYS 43 2HZ LYS 43 -19.868 0.913 -6.628 341 H GLY 44 H GLY 44 -16.905 -0.821 -1.450 342 HA2 GLY 44 1HA GLY 44 -17.630 -2.782 -0.519 343 HA3 GLY 44 2HA GLY 44 -18.137 -3.239 -2.134 344 H TYR 45 H TYR 45 -15.067 -2.894 -0.331 345 HA TYR 45 HA TYR 45 -14.349 -5.543 -1.382 346 HB2 TYR 45 1HB TYR 45 -12.619 -3.086 -1.227 347 HB3 TYR 45 2HB TYR 45 -11.937 -4.706 -1.348 348 HD1 TYR 45 HD1 TYR 45 -13.416 -6.127 -3.247 349 HD2 TYR 45 HD2 TYR 45 -12.545 -1.965 -3.246 350 HE1 TYR 45 HE1 TYR 45 -13.686 -6.074 -5.686 351 HE2 TYR 45 HE2 TYR 45 -12.817 -1.903 -5.690 352 HH TYR 45 HH TYR 45 -12.613 -3.599 -7.608 353 H THR 46 H THR 46 -13.321 -6.927 -0.082 354 HA THR 46 HA THR 46 -13.234 -6.214 2.774 355 HB THR 46 HB THR 46 -14.065 -8.650 1.264 356 HG1 THR 46 HG1 THR 46 -15.072 -6.917 3.168 357 HG21 THR 46 3HG2 THR 46 -12.281 -9.509 2.715 358 HG22 THR 46 1HG2 THR 46 -13.875 -10.090 3.192 359 HG23 THR 46 2HG2 THR 46 -13.094 -8.804 4.115 360 H LEU 47 H LEU 47 -11.282 -6.390 3.826 361 HA LEU 47 HA LEU 47 -8.947 -6.677 2.246 362 HB2 LEU 47 1HB LEU 47 -9.160 -5.333 4.382 363 HB3 LEU 47 2HB LEU 47 -9.051 -6.853 5.250 364 HG LEU 47 HG LEU 47 -6.828 -7.239 4.159 365 HD11 LEU 47 1HD1 LEU 47 -7.131 -5.765 2.242 366 HD12 LEU 47 2HD1 LEU 47 -5.689 -5.333 3.160 367 HD13 LEU 47 3HD1 LEU 47 -7.155 -4.362 3.315 368 HD21 LEU 47 3HD2 LEU 47 -5.617 -5.668 5.592 369 HD22 LEU 47 1HD2 LEU 47 -6.977 -6.409 6.438 370 HD23 LEU 47 2HD2 LEU 47 -7.105 -4.754 5.843 371 H LEU 48 H LEU 48 -7.873 -8.414 1.655 372 HA LEU 48 HA LEU 48 -8.678 -11.007 2.717 373 HB2 LEU 48 1HB LEU 48 -8.593 -10.690 0.289 374 HB3 LEU 48 2HB LEU 48 -6.900 -10.252 0.394 375 HG LEU 48 HG LEU 48 -6.408 -12.553 1.223 376 HD11 LEU 48 1HD1 LEU 48 -9.288 -13.059 0.492 377 HD12 LEU 48 2HD1 LEU 48 -8.609 -13.089 2.119 378 HD13 LEU 48 3HD1 LEU 48 -8.099 -14.286 0.929 379 HD21 LEU 48 3HD2 LEU 48 -6.097 -11.966 -1.117 380 HD22 LEU 48 1HD2 LEU 48 -7.781 -12.363 -1.455 381 HD23 LEU 48 2HD2 LEU 48 -6.659 -13.630 -0.960 382 H LYS 49 H LYS 49 -5.806 -9.009 2.286 383 HA LYS 49 HA LYS 49 -4.469 -9.766 4.595 384 HB2 LYS 49 1HB LYS 49 -4.362 -12.019 3.513 385 HB3 LYS 49 2HB LYS 49 -3.477 -11.303 2.173 386 HG2 LYS 49 1HG LYS 49 -1.688 -10.656 3.749 387 HG3 LYS 49 2HG LYS 49 -2.564 -11.484 5.037 388 HD2 LYS 49 1HD LYS 49 -2.367 -13.592 3.839 389 HD3 LYS 49 2HD LYS 49 -1.550 -12.774 2.505 390 HE2 LYS 49 1HE LYS 49 -0.541 -12.972 5.341 391 HE3 LYS 49 2HE LYS 49 0.038 -13.924 3.975 392 HZ1 LYS 49 3HZ LYS 49 0.268 -10.980 4.304 393 HZ2 LYS 49 1HZ LYS 49 0.710 -11.821 2.900 394 HZ3 LYS 49 2HZ LYS 49 1.530 -12.108 4.355 395 H TYR 50 H TYR 50 -2.287 -8.875 4.658 396 HA TYR 50 HA TYR 50 -1.533 -7.337 2.280 397 HB2 TYR 50 1HB TYR 50 -0.613 -5.575 3.843 398 HB3 TYR 50 2HB TYR 50 -2.367 -5.667 3.762 399 HD1 TYR 50 HD1 TYR 50 0.588 -6.285 5.861 400 HD2 TYR 50 HD2 TYR 50 -3.664 -6.359 5.674 401 HE1 TYR 50 HE1 TYR 50 0.487 -6.474 8.311 402 HE2 TYR 50 HE2 TYR 50 -3.773 -6.550 8.120 403 HH TYR 50 HH TYR 50 -2.376 -7.295 9.971 404 H ASP 51 H ASP 51 0.676 -7.137 1.911 405 HA ASP 51 HA ASP 51 2.375 -8.892 3.557 406 HB2 ASP 51 1HB ASP 51 2.061 -8.744 0.593 407 HB3 ASP 51 2HB ASP 51 3.662 -9.085 1.240 408 H SER 52 H SER 52 2.968 -7.042 4.748 409 HA SER 52 HA SER 52 5.435 -5.991 4.128 410 HB2 SER 52 1HB SER 52 4.039 -4.722 2.385 411 HB3 SER 52 2HB SER 52 3.338 -3.850 3.746 412 HG SER 52 HG SER 52 5.689 -3.457 2.518 413 H GLU 53 H GLU 53 5.550 -3.656 5.470 414 HA GLU 53 HA GLU 53 4.475 -4.380 8.109 415 HB2 GLU 53 1HB GLU 53 6.913 -2.784 7.329 416 HB3 GLU 53 2HB GLU 53 6.309 -2.882 8.977 417 HG2 GLU 53 1HG GLU 53 6.639 -5.298 8.960 418 HG3 GLU 53 2HG GLU 53 7.239 -5.203 7.304 419 H ILE 54 H ILE 54 2.592 -3.320 8.331 420 HA ILE 54 HA ILE 54 2.475 -0.473 7.650 421 HB ILE 54 HB ILE 54 0.051 -0.653 8.134 422 HG12 ILE 54 1HG1 ILE 54 0.575 -3.622 8.401 423 HG13 ILE 54 2HG1 ILE 54 0.238 -2.547 9.754 424 HG21 ILE 54 1HG2 ILE 54 1.124 -2.641 6.140 425 HG22 ILE 54 2HG2 ILE 54 0.839 -0.922 5.865 426 HG23 ILE 54 3HG2 ILE 54 -0.521 -2.007 6.159 427 HD11 ILE 54 3HD1 ILE 54 -1.620 -3.114 7.455 428 HD12 ILE 54 1HD1 ILE 54 -1.958 -2.055 8.825 429 HD13 ILE 54 2HD1 ILE 54 -1.742 -3.787 9.080 430 H LEU 55 H LEU 55 4.089 -1.357 9.811 431 HA LEU 55 HA LEU 55 2.741 -1.050 12.302 432 HB2 LEU 55 1HB LEU 55 5.634 -1.128 11.496 433 HB3 LEU 55 2HB LEU 55 5.170 -0.736 13.139 434 HG LEU 55 HG LEU 55 4.010 -2.941 13.287 435 HD11 LEU 55 1HD1 LEU 55 5.351 -3.456 10.637 436 HD12 LEU 55 2HD1 LEU 55 3.615 -3.331 10.916 437 HD13 LEU 55 3HD1 LEU 55 4.529 -4.659 11.632 438 HD21 LEU 55 3HD2 LEU 55 6.063 -4.252 13.497 439 HD22 LEU 55 1HD2 LEU 55 6.250 -2.635 14.175 440 HD23 LEU 55 2HD2 LEU 55 6.942 -3.015 12.599 441 H GLY 56 H GLY 56 5.229 1.013 10.761 442 HA2 GLY 56 1HA GLY 56 4.169 3.403 10.577 443 HA3 GLY 56 2HA GLY 56 4.186 3.264 12.327 444 H VAL 57 H VAL 57 6.638 2.131 10.027 445 HA VAL 57 HA VAL 57 8.383 4.327 10.874 446 HB VAL 57 HB VAL 57 10.327 2.707 10.923 447 HG11 VAL 57 1HG1 VAL 57 9.402 3.678 12.952 448 HG12 VAL 57 2HG1 VAL 57 9.906 2.010 13.232 449 HG13 VAL 57 3HG1 VAL 57 8.196 2.393 13.033 450 HG21 VAL 57 3HG2 VAL 57 9.268 0.813 9.816 451 HG22 VAL 57 1HG2 VAL 57 8.110 0.669 11.139 452 HG23 VAL 57 2HG2 VAL 57 9.822 0.358 11.428 453 H PHE 58 H PHE 58 9.098 5.371 9.144 454 HA PHE 58 HA PHE 58 8.975 4.279 6.513 455 HB2 PHE 58 1HB PHE 58 10.282 6.772 7.601 456 HB3 PHE 58 2HB PHE 58 10.336 6.333 5.901 457 HD1 PHE 58 HD2 PHE 58 8.159 6.129 4.649 458 HD2 PHE 58 HD1 PHE 58 8.457 7.913 8.495 459 HE1 PHE 58 HE2 PHE 58 6.024 7.287 4.270 460 HE2 PHE 58 HE1 PHE 58 6.322 9.079 8.125 461 HZ PHE 58 HZ PHE 58 5.102 8.765 6.008 462 H THR 59 H THR 59 10.425 3.082 5.473 463 HA THR 59 HA THR 59 13.042 2.648 6.679 464 HB THR 59 HB THR 59 13.230 0.893 4.845 465 HG1 THR 59 HG1 THR 59 11.690 1.497 3.380 466 HG21 THR 59 3HG2 THR 59 11.773 -0.698 6.005 467 HG22 THR 59 1HG2 THR 59 10.934 0.638 6.794 468 HG23 THR 59 2HG2 THR 59 12.631 0.326 7.156 469 H GLU 60 H GLU 60 14.984 2.855 5.450 470 HA GLU 60 HA GLU 60 15.113 5.198 3.877 471 HB2 GLU 60 1HB GLU 60 17.139 2.970 4.180 472 HB3 GLU 60 2HB GLU 60 17.470 4.561 3.507 473 HG2 GLU 60 1HG GLU 60 17.019 5.610 5.617 474 HG3 GLU 60 2HG GLU 60 16.497 4.078 6.312 475 H SER 61 H SER 61 15.216 1.775 3.070 476 HA SER 61 HA SER 61 15.286 2.280 0.228 477 HB2 SER 61 1HB SER 61 14.813 -0.311 1.732 478 HB3 SER 61 2HB SER 61 15.211 -0.155 0.020 479 HG SER 61 HG SER 61 16.984 1.136 1.655 480 HA PRO 62 HA PRO 62 10.990 2.707 -0.650 481 HB2 PRO 62 1HB PRO 62 10.736 0.833 -2.710 482 HB3 PRO 62 2HB PRO 62 11.202 2.525 -2.897 483 HG2 PRO 62 1HG PRO 62 12.916 0.089 -2.769 484 HG3 PRO 62 2HG PRO 62 13.117 1.556 -3.743 485 HD2 PRO 62 1HD PRO 62 14.603 1.128 -1.562 486 HD3 PRO 62 2HD PRO 62 14.022 2.756 -1.970 487 H GLN 63 H GLN 63 9.534 1.980 0.722 488 HA GLN 63 HA GLN 63 9.458 -0.832 1.479 489 HB2 GLN 63 1HB GLN 63 9.391 0.975 3.196 490 HB3 GLN 63 2HB GLN 63 7.854 1.507 2.530 491 HG2 GLN 63 1HG GLN 63 6.911 -0.723 3.072 492 HG3 GLN 63 2HG GLN 63 8.436 -1.127 3.863 493 HE21 GLN 63 2HE2 GLN 63 9.008 -0.044 5.770 494 HE22 GLN 63 1HE2 GLN 63 7.839 0.801 6.724 495 H THR 64 H THR 64 8.292 -2.118 0.189 496 HA THR 64 HA THR 64 6.018 -1.018 -1.271 497 HB THR 64 HB THR 64 7.163 -3.813 -1.424 498 HG1 THR 64 HG1 THR 64 7.924 -1.374 -2.632 499 HG21 THR 64 3HG2 THR 64 6.083 -3.839 -3.633 500 HG22 THR 64 1HG2 THR 64 5.439 -2.224 -3.333 501 HG23 THR 64 2HG2 THR 64 4.906 -3.584 -2.345 502 H ILE 65 H ILE 65 4.101 -1.032 -0.282 503 HA ILE 65 HA ILE 65 3.500 -3.216 1.588 504 HB ILE 65 HB ILE 65 2.070 -0.569 1.265 505 HG12 ILE 65 1HG1 ILE 65 4.023 -1.553 3.360 506 HG13 ILE 65 2HG1 ILE 65 4.274 -0.231 2.226 507 HG21 ILE 65 1HG2 ILE 65 0.933 -1.201 3.361 508 HG22 ILE 65 2HG2 ILE 65 1.714 -2.781 3.287 509 HG23 ILE 65 3HG2 ILE 65 0.566 -2.305 2.035 510 HD11 ILE 65 3HD1 ILE 65 2.517 1.052 3.319 511 HD12 ILE 65 1HD1 ILE 65 3.779 0.587 4.461 512 HD13 ILE 65 2HD1 ILE 65 2.241 -0.278 4.444 513 H ASN 66 H ASN 66 2.733 -4.844 0.385 514 HA ASN 66 HA ASN 66 0.815 -4.391 -1.735 515 HB2 ASN 66 1HB ASN 66 1.954 -6.930 -0.544 516 HB3 ASN 66 2HB ASN 66 0.800 -6.903 -1.872 517 HD21 ASN 66 2HD2 ASN 66 3.562 -7.889 -1.709 518 HD22 ASN 66 1HD2 ASN 66 4.421 -7.091 -2.981 519 H ILE 67 H ILE 67 -1.132 -3.734 -0.994 520 HA ILE 67 HA ILE 67 -2.347 -5.238 1.221 521 HB ILE 67 HB ILE 67 -3.186 -2.603 -0.009 522 HG12 ILE 67 1HG1 ILE 67 -1.918 -3.255 2.662 523 HG13 ILE 67 2HG1 ILE 67 -1.137 -2.425 1.321 524 HG21 ILE 67 1HG2 ILE 67 -4.324 -4.101 2.348 525 HG22 ILE 67 2HG2 ILE 67 -5.112 -3.847 0.790 526 HG23 ILE 67 3HG2 ILE 67 -4.787 -2.474 1.847 527 HD11 ILE 67 3HD1 ILE 67 -1.804 -0.855 3.035 528 HD12 ILE 67 1HD1 ILE 67 -3.474 -1.410 2.924 529 HD13 ILE 67 2HD1 ILE 67 -2.729 -0.578 1.558 530 H ILE 68 H ILE 68 -3.645 -6.851 0.649 531 HA ILE 68 HA ILE 68 -4.806 -6.784 -2.057 532 HB ILE 68 HB ILE 68 -4.245 -9.212 -0.343 533 HG12 ILE 68 1HG1 ILE 68 -2.703 -8.167 -2.731 534 HG13 ILE 68 2HG1 ILE 68 -2.180 -8.015 -1.056 535 HG21 ILE 68 1HG2 ILE 68 -4.651 -10.470 -2.399 536 HG22 ILE 68 2HG2 ILE 68 -5.005 -8.970 -3.255 537 HG23 ILE 68 3HG2 ILE 68 -6.064 -9.513 -1.953 538 HD11 ILE 68 3HD1 ILE 68 -1.045 -9.841 -2.179 539 HD12 ILE 68 1HD1 ILE 68 -2.596 -10.596 -2.546 540 HD13 ILE 68 2HD1 ILE 68 -2.063 -10.443 -0.871 541 H TYR 69 H TYR 69 -6.903 -6.527 -2.183 542 HA TYR 69 HA TYR 69 -8.601 -7.249 0.101 543 HB2 TYR 69 1HB TYR 69 -9.092 -5.485 -2.304 544 HB3 TYR 69 2HB TYR 69 -10.360 -5.946 -1.175 545 HD1 TYR 69 HD2 TYR 69 -7.256 -3.998 -1.577 546 HD2 TYR 69 HD1 TYR 69 -10.528 -4.923 0.979 547 HE1 TYR 69 HE2 TYR 69 -6.668 -2.091 -0.142 548 HE2 TYR 69 HE1 TYR 69 -9.950 -3.017 2.419 549 HH TYR 69 HH TYR 69 -8.031 -1.633 2.954 550 H GLN 70 H GLN 70 -10.335 -8.636 -0.147 551 HA GLN 70 HA GLN 70 -10.264 -10.362 -2.495 552 HB2 GLN 70 1HB GLN 70 -10.399 -11.358 -0.195 553 HB3 GLN 70 2HB GLN 70 -11.976 -10.602 -0.006 554 HG2 GLN 70 1HG GLN 70 -12.790 -11.880 -1.948 555 HG3 GLN 70 2HG GLN 70 -11.225 -12.680 -2.051 556 HE21 GLN 70 2HE2 GLN 70 -13.830 -13.842 -1.661 557 HE22 GLN 70 1HE2 GLN 70 -13.759 -14.720 -0.172 558 H LYS 71 H LYS 71 -11.874 -10.447 -3.966 559 HA LYS 71 HA LYS 71 -13.453 -8.077 -4.214 560 HB2 LYS 71 1HB LYS 71 -12.267 -9.378 -6.069 561 HB3 LYS 71 2HB LYS 71 -13.588 -10.531 -5.960 562 HG2 LYS 71 1HG LYS 71 -15.178 -8.849 -6.592 563 HG3 LYS 71 2HG LYS 71 -13.930 -7.605 -6.551 564 HD2 LYS 71 1HD LYS 71 -12.803 -9.384 -8.245 565 HD3 LYS 71 2HD LYS 71 -14.514 -9.628 -8.602 566 HE2 LYS 71 1HE LYS 71 -13.553 -7.929 -10.060 567 HE3 LYS 71 2HE LYS 71 -14.778 -7.233 -8.997 568 HZ1 LYS 71 3HZ LYS 71 -11.843 -7.112 -8.509 569 HZ2 LYS 71 1HZ LYS 71 -13.048 -6.371 -7.581 570 HZ3 LYS 71 2HZ LYS 71 -12.765 -5.851 -9.166 571 H LYS 72 H LYS 72 -15.219 -7.916 -2.921 572 HA LYS 72 HA LYS 72 -16.884 -10.160 -2.300 573 HB2 LYS 72 1HB LYS 72 -17.481 -7.204 -2.055 574 HB3 LYS 72 2HB LYS 72 -18.462 -8.498 -1.387 575 HG2 LYS 72 1HG LYS 72 -16.336 -9.168 -0.112 576 HG3 LYS 72 2HG LYS 72 -15.761 -7.552 -0.530 577 HD2 LYS 72 1HD LYS 72 -18.231 -8.267 1.045 578 HD3 LYS 72 2HD LYS 72 -16.787 -7.443 1.633 579 HE2 LYS 72 1HE LYS 72 -17.269 -5.541 0.194 580 HE3 LYS 72 2HE LYS 72 -18.689 -6.369 -0.445 581 HZ1 LYS 72 3HZ LYS 72 -19.594 -6.387 1.840 582 HZ2 LYS 72 1HZ LYS 72 -19.368 -4.821 1.225 583 HZ3 LYS 72 2HZ LYS 72 -18.270 -5.457 2.349 584 H ALA 73 H ALA 73 -17.550 -11.067 -4.267 585 HA ALA 73 HA ALA 73 -18.609 -9.420 -6.373 586 HB1 ALA 73 3HB ALA 73 -18.556 -12.425 -6.129 587 HB2 ALA 73 1HB ALA 73 -17.299 -11.430 -6.865 588 HB3 ALA 73 2HB ALA 73 -18.905 -11.500 -7.591 589 HA PRO 74 HA PRO 74 -22.794 -9.769 -4.719 590 HB2 PRO 74 1HB PRO 74 -23.837 -7.731 -6.123 591 HB3 PRO 74 2HB PRO 74 -22.800 -7.450 -4.719 592 HG2 PRO 74 1HG PRO 74 -22.134 -7.304 -7.629 593 HG3 PRO 74 2HG PRO 74 -21.622 -6.240 -6.308 594 HD2 PRO 74 1HD PRO 74 -20.077 -8.261 -7.372 595 HD3 PRO 74 2HD PRO 74 -19.877 -7.600 -5.739 596 H GLU 75 H GLU 75 -21.564 -9.932 -7.922 597 HA GLU 75 HA GLU 75 -24.067 -10.843 -9.075 598 HB2 GLU 75 1HB GLU 75 -21.315 -10.573 -10.300 599 HB3 GLU 75 2HB GLU 75 -22.783 -10.984 -11.175 600 HG2 GLU 75 1HG GLU 75 -22.248 -8.398 -9.734 601 HG3 GLU 75 2HG GLU 75 -22.201 -8.650 -11.479 602 H GLN 76 H GLN 76 -24.419 -12.743 -7.954 603 HA GLN 76 HA GLN 76 -22.396 -14.844 -8.201 604 HB2 GLN 76 1HB GLN 76 -24.957 -14.825 -6.592 605 HB3 GLN 76 2HB GLN 76 -23.705 -16.059 -6.537 606 HG2 GLN 76 1HG GLN 76 -22.122 -14.376 -5.687 607 HG3 GLN 76 2HG GLN 76 -23.425 -13.188 -5.678 608 HE21 GLN 76 2HE2 GLN 76 -21.821 -14.169 -3.473 609 HE22 GLN 76 1HE2 GLN 76 -22.926 -14.844 -2.331 610 H ALA 77 H ALA 77 -22.919 -16.877 -9.071 611 HA ALA 77 HA ALA 77 -24.640 -16.796 -11.325 612 HB1 ALA 77 3HB ALA 77 -23.296 -19.172 -10.042 613 HB2 ALA 77 1HB ALA 77 -22.590 -18.133 -11.280 614 HB3 ALA 77 2HB ALA 77 -24.001 -19.123 -11.659 615 H LEU 78 H LEU 78 -25.162 -17.513 -8.044 616 HA LEU 78 HA LEU 78 -27.298 -19.358 -8.268 617 HB2 LEU 78 1HB LEU 78 -26.029 -18.994 -6.189 618 HB3 LEU 78 2HB LEU 78 -26.693 -17.376 -6.070 619 HG LEU 78 HG LEU 78 -28.958 -18.347 -5.826 620 HD11 LEU 78 1HD1 LEU 78 -28.603 -20.437 -7.015 621 HD12 LEU 78 2HD1 LEU 78 -29.185 -20.743 -5.379 622 HD13 LEU 78 3HD1 LEU 78 -27.480 -20.973 -5.766 623 HD21 LEU 78 3HD2 LEU 78 -28.649 -19.182 -3.552 624 HD22 LEU 78 1HD2 LEU 78 -27.650 -17.761 -3.855 625 HD23 LEU 78 2HD2 LEU 78 -26.921 -19.368 -3.851 626 H GLU 79 H GLU 79 -27.420 -15.894 -7.397 627 HA GLU 79 HA GLU 79 -30.169 -15.803 -8.374 628 HB2 GLU 79 1HB GLU 79 -29.723 -14.806 -6.172 629 HB3 GLU 79 2HB GLU 79 -28.558 -13.707 -6.901 630 HG2 GLU 79 1HG GLU 79 -30.357 -12.729 -8.257 631 HG3 GLU 79 2HG GLU 79 -31.512 -13.800 -7.469 632 H HIS 80 H HIS 80 -30.372 -15.444 -10.462 633 HA HIS 80 HA HIS 80 -28.331 -14.213 -12.036 634 HB2 HIS 80 1HB HIS 80 -31.189 -14.809 -12.836 635 HB3 HIS 80 2HB HIS 80 -29.820 -14.559 -13.913 636 HD1 HIS 80 HD1 HIS 80 -31.766 -17.170 -12.435 637 HD2 HIS 80 HD2 HIS 80 -27.759 -16.707 -13.463 638 HE1 HIS 80 HE1 HIS 80 -30.817 -19.498 -12.542 639 HE2 HIS 80 HE2 HIS 80 -28.393 -19.203 -13.164 640 H HIS 81 H HIS 81 -28.146 -12.128 -12.665 641 HA HIS 81 HA HIS 81 -30.247 -10.279 -11.752 642 HB2 HIS 81 1HB HIS 81 -27.264 -9.865 -12.022 643 HB3 HIS 81 2HB HIS 81 -28.399 -8.544 -11.768 644 HD1 HIS 81 HD1 HIS 81 -26.242 -8.970 -9.683 645 HD2 HIS 81 HD2 HIS 81 -29.982 -10.798 -9.505 646 HE1 HIS 81 HE1 HIS 81 -26.605 -9.553 -7.262 647 HE2 HIS 81 HE2 HIS 81 -28.853 -10.705 -7.177 648 H HIS 82 H HIS 82 -31.385 -9.328 -13.290 649 HA HIS 82 HA HIS 82 -30.698 -9.423 -16.051 650 HB2 HIS 82 1HB HIS 82 -32.747 -7.760 -14.570 651 HB3 HIS 82 2HB HIS 82 -32.581 -7.770 -16.321 652 HD1 HIS 82 HD1 HIS 82 -34.651 -9.132 -13.872 653 HD2 HIS 82 HD2 HIS 82 -32.725 -10.741 -17.189 654 HE1 HIS 82 HE1 HIS 82 -35.908 -11.240 -14.435 655 HE2 HIS 82 HE2 HIS 82 -34.601 -12.292 -16.317 656 H HIS 83 H HIS 83 -30.327 -7.091 -13.485 657 HA HIS 83 HA HIS 83 -28.971 -5.231 -15.291 658 HB2 HIS 83 1HB HIS 83 -30.666 -4.602 -13.366 659 HB3 HIS 83 2HB HIS 83 -29.248 -4.775 -12.337 660 HD1 HIS 83 HD1 HIS 83 -28.185 -2.584 -11.909 661 HD2 HIS 83 HD2 HIS 83 -29.873 -2.779 -15.709 662 HE1 HIS 83 HE1 HIS 83 -27.753 -0.342 -12.965 663 HE2 HIS 83 HE2 HIS 83 -28.905 -0.433 -15.207 664 H HIS 84 H HIS 84 -27.500 -7.178 -15.508 665 HA HIS 84 HA HIS 84 -25.883 -8.058 -13.366 666 HB2 HIS 84 1HB HIS 84 -26.362 -9.409 -15.367 667 HB3 HIS 84 2HB HIS 84 -25.453 -8.277 -16.354 668 HD1 HIS 84 HD1 HIS 84 -24.326 -9.732 -13.033 669 HD2 HIS 84 HD2 HIS 84 -23.369 -9.876 -17.082 670 HE1 HIS 84 HE1 HIS 84 -22.219 -11.097 -13.191 671 HE2 HIS 84 HE2 HIS 84 -21.737 -11.292 -15.653 672 H HIS 85 H HIS 85 -24.011 -7.355 -12.592 673 HA HIS 85 HA HIS 85 -22.966 -4.832 -13.569 674 HB2 HIS 85 1HB HIS 85 -22.206 -6.544 -11.192 675 HB3 HIS 85 2HB HIS 85 -21.453 -5.001 -11.578 676 HD1 HIS 85 HD1 HIS 85 -24.328 -6.486 -9.849 677 HD2 HIS 85 HD2 HIS 85 -23.277 -2.757 -11.375 678 HE1 HIS 85 HE1 HIS 85 -25.898 -4.842 -8.776 679 HE2 HIS 85 HE2 HIS 85 -25.135 -2.580 -9.583 Start of MODEL 15 1 H1 MET 1 1H MET 1 6.590 17.534 -2.855 2 H2 MET 1 2H MET 1 6.259 17.534 -1.194 3 H3 MET 1 3H MET 1 6.078 16.114 -2.095 4 HA MET 1 HA MET 1 8.659 17.507 -1.745 5 HB2 MET 1 1HB MET 1 7.516 15.155 -0.226 6 HB3 MET 1 2HB MET 1 9.206 15.633 -0.178 7 HG2 MET 1 1HG MET 1 8.602 17.763 0.802 8 HG3 MET 1 2HG MET 1 6.892 17.347 0.694 9 HE1 MET 1 3HE MET 1 9.790 14.868 1.608 10 HE2 MET 1 1HE MET 1 9.864 15.033 3.362 11 HE3 MET 1 2HE MET 1 10.346 16.379 2.329 12 H ASP 2 H ASP 2 9.261 17.125 -3.873 13 HA ASP 2 HA ASP 2 9.012 14.395 -4.895 14 HB2 ASP 2 1HB ASP 2 10.035 16.878 -6.286 15 HB3 ASP 2 2HB ASP 2 9.700 15.326 -7.046 16 H PHE 3 H PHE 3 11.284 16.349 -3.342 17 HA PHE 3 HA PHE 3 13.583 15.012 -4.543 18 HB2 PHE 3 1HB PHE 3 13.493 17.185 -2.439 19 HB3 PHE 3 2HB PHE 3 14.933 16.608 -3.274 20 HD1 PHE 3 HD1 PHE 3 14.934 16.827 -5.852 21 HD2 PHE 3 HD2 PHE 3 12.314 18.986 -3.286 22 HE1 PHE 3 HE1 PHE 3 14.568 18.490 -7.628 23 HE2 PHE 3 HE2 PHE 3 11.944 20.652 -5.057 24 HZ PHE 3 HZ PHE 3 13.072 20.405 -7.231 25 H GLY 4 H GLY 4 11.477 13.974 -2.477 26 HA2 GLY 4 1HA GLY 4 13.444 12.907 -0.554 27 HA3 GLY 4 2HA GLY 4 11.737 13.127 -0.198 28 H LYS 5 H LYS 5 13.090 11.786 -3.165 29 HA LYS 5 HA LYS 5 11.340 9.570 -3.106 30 HB2 LYS 5 1HB LYS 5 13.791 10.075 -4.786 31 HB3 LYS 5 2HB LYS 5 12.692 8.724 -5.027 32 HG2 LYS 5 1HG LYS 5 10.849 10.381 -5.337 33 HG3 LYS 5 2HG LYS 5 12.072 11.653 -5.304 34 HD2 LYS 5 1HD LYS 5 13.188 10.622 -7.225 35 HD3 LYS 5 2HD LYS 5 11.957 9.357 -7.258 36 HE2 LYS 5 1HE LYS 5 11.398 10.982 -8.920 37 HE3 LYS 5 2HE LYS 5 10.242 11.129 -7.598 38 HZ1 LYS 5 3HZ LYS 5 11.611 12.996 -6.747 39 HZ2 LYS 5 1HZ LYS 5 10.916 13.299 -8.266 40 HZ3 LYS 5 2HZ LYS 5 12.560 12.900 -8.151 41 HA PRO 6 HA PRO 6 15.149 6.989 -1.545 42 HB2 PRO 6 1HB PRO 6 16.807 9.008 -0.194 43 HB3 PRO 6 2HB PRO 6 17.292 7.710 -1.288 44 HG2 PRO 6 1HG PRO 6 17.375 10.281 -2.041 45 HG3 PRO 6 2HG PRO 6 16.940 8.990 -3.178 46 HD2 PRO 6 1HD PRO 6 15.153 10.895 -1.705 47 HD3 PRO 6 2HD PRO 6 15.085 10.378 -3.403 48 H ASN 7 H ASN 7 12.759 7.854 -0.451 49 HA ASN 7 HA ASN 7 12.974 6.972 2.223 50 HB2 ASN 7 1HB ASN 7 13.749 9.379 2.474 51 HB3 ASN 7 2HB ASN 7 12.148 9.876 1.935 52 HD21 ASN 7 2HD2 ASN 7 11.589 10.877 3.831 53 HD22 ASN 7 1HD2 ASN 7 11.296 10.017 5.303 54 H GLN 8 H GLN 8 11.591 5.823 0.400 55 HA GLN 8 HA GLN 8 8.918 7.038 0.258 56 HB2 GLN 8 1HB GLN 8 8.626 5.783 -1.857 57 HB3 GLN 8 2HB GLN 8 9.944 6.944 -1.922 58 HG2 GLN 8 1HG GLN 8 11.577 5.258 -1.808 59 HG3 GLN 8 2HG GLN 8 10.402 4.044 -1.306 60 HE21 GLN 8 2HE2 GLN 8 9.038 3.134 -2.832 61 HE22 GLN 8 1HE2 GLN 8 9.360 3.230 -4.529 62 H VAL 9 H VAL 9 7.345 6.048 1.257 63 HA VAL 9 HA VAL 9 7.454 3.130 1.613 64 HB VAL 9 HB VAL 9 5.574 5.160 2.843 65 HG11 VAL 9 1HG1 VAL 9 4.809 3.302 4.251 66 HG12 VAL 9 2HG1 VAL 9 5.832 2.195 3.335 67 HG13 VAL 9 3HG1 VAL 9 4.484 3.009 2.543 68 HG21 VAL 9 3HG2 VAL 9 6.743 4.670 4.938 69 HG22 VAL 9 1HG2 VAL 9 7.838 5.338 3.727 70 HG23 VAL 9 2HG2 VAL 9 7.851 3.608 4.069 71 H THR 10 H THR 10 6.224 1.875 0.321 72 HA THR 10 HA THR 10 4.446 3.297 -1.542 73 HB THR 10 HB THR 10 5.767 0.616 -1.976 74 HG1 THR 10 HG1 THR 10 6.699 3.223 -2.277 75 HG21 THR 10 3HG2 THR 10 5.252 1.048 -4.338 76 HG22 THR 10 1HG2 THR 10 4.467 2.563 -3.891 77 HG23 THR 10 2HG2 THR 10 3.786 1.026 -3.358 78 H VAL 11 H VAL 11 2.415 3.127 -0.787 79 HA VAL 11 HA VAL 11 1.456 0.587 0.267 80 HB VAL 11 HB VAL 11 -0.102 3.130 -0.236 81 HG11 VAL 11 1HG1 VAL 11 -0.771 0.708 1.425 82 HG12 VAL 11 2HG1 VAL 11 -1.507 1.145 -0.118 83 HG13 VAL 11 3HG1 VAL 11 -1.745 2.174 1.295 84 HG21 VAL 11 3HG2 VAL 11 1.690 3.524 1.365 85 HG22 VAL 11 1HG2 VAL 11 1.167 2.130 2.309 86 HG23 VAL 11 2HG2 VAL 11 0.121 3.543 2.169 87 H ASN 12 H ASN 12 0.864 -0.953 -1.096 88 HA ASN 12 HA ASN 12 0.069 -0.174 -3.817 89 HB2 ASN 12 1HB ASN 12 2.213 -1.414 -3.588 90 HB3 ASN 12 2HB ASN 12 1.333 -2.756 -2.865 91 HD21 ASN 12 2HD2 ASN 12 2.083 -4.104 -4.498 92 HD22 ASN 12 1HD2 ASN 12 1.400 -4.072 -6.088 93 H TYR 13 H TYR 13 -2.025 -0.372 -4.152 94 HA TYR 13 HA TYR 13 -3.626 -2.119 -2.467 95 HB2 TYR 13 1HB TYR 13 -4.491 -0.140 -4.585 96 HB3 TYR 13 2HB TYR 13 -5.549 -0.962 -3.446 97 HD1 TYR 13 HD1 TYR 13 -5.543 -0.326 -1.067 98 HD2 TYR 13 HD2 TYR 13 -3.174 1.766 -3.916 99 HE1 TYR 13 HE1 TYR 13 -5.270 1.529 0.526 100 HE2 TYR 13 HE2 TYR 13 -2.892 3.619 -2.331 101 HH TYR 13 HH TYR 13 -4.041 4.560 -0.383 102 H LEU 14 H LEU 14 -3.752 -4.166 -3.098 103 HA LEU 14 HA LEU 14 -3.724 -4.777 -5.966 104 HB2 LEU 14 1HB LEU 14 -3.284 -6.606 -3.608 105 HB3 LEU 14 2HB LEU 14 -3.130 -7.050 -5.297 106 HG LEU 14 HG LEU 14 -1.367 -5.143 -3.765 107 HD11 LEU 14 1HD1 LEU 14 0.372 -6.789 -4.239 108 HD12 LEU 14 2HD1 LEU 14 -0.816 -7.817 -5.042 109 HD13 LEU 14 3HD1 LEU 14 -0.949 -7.501 -3.312 110 HD21 LEU 14 3HD2 LEU 14 -0.076 -4.936 -5.822 111 HD22 LEU 14 1HD2 LEU 14 -1.720 -4.331 -6.035 112 HD23 LEU 14 2HD2 LEU 14 -1.272 -5.913 -6.678 113 H ASP 15 H ASP 15 -5.162 -6.240 -6.844 114 HA ASP 15 HA ASP 15 -7.769 -6.411 -5.553 115 HB2 ASP 15 1HB ASP 15 -7.582 -5.664 -7.906 116 HB3 ASP 15 2HB ASP 15 -6.831 -7.194 -8.335 117 H GLU 16 H GLU 16 -8.842 -8.719 -6.311 118 HA GLU 16 HA GLU 16 -7.583 -10.817 -4.895 119 HB2 GLU 16 1HB GLU 16 -10.020 -10.762 -5.278 120 HB3 GLU 16 2HB GLU 16 -9.757 -10.949 -7.007 121 HG2 GLU 16 1HG GLU 16 -8.539 -13.122 -6.366 122 HG3 GLU 16 2HG GLU 16 -9.355 -12.944 -4.815 123 H ASN 17 H ASN 17 -7.713 -9.824 -8.248 124 HA ASN 17 HA ASN 17 -6.086 -11.957 -9.267 125 HB2 ASN 17 1HB ASN 17 -6.714 -9.209 -10.379 126 HB3 ASN 17 2HB ASN 17 -5.853 -10.467 -11.261 127 HD21 ASN 17 2HD2 ASN 17 -8.921 -9.422 -9.999 128 HD22 ASN 17 1HD2 ASN 17 -9.884 -10.570 -10.871 129 H ASN 18 H ASN 18 -5.488 -9.642 -7.134 130 HA ASN 18 HA ASN 18 -3.724 -8.675 -6.186 131 HB2 ASN 18 1HB ASN 18 -2.185 -10.778 -7.732 132 HB3 ASN 18 2HB ASN 18 -1.498 -9.774 -6.461 133 HD21 ASN 18 2HD2 ASN 18 -4.038 -9.890 -4.915 134 HD22 ASN 18 1HD2 ASN 18 -4.044 -11.460 -4.192 135 H THR 19 H THR 19 -4.660 -7.767 -8.818 136 HA THR 19 HA THR 19 -2.271 -6.511 -9.927 137 HB THR 19 HB THR 19 -5.146 -6.203 -10.819 138 HG1 THR 19 HG1 THR 19 -3.380 -8.300 -11.104 139 HG21 THR 19 3HG2 THR 19 -3.621 -4.486 -11.662 140 HG22 THR 19 1HG2 THR 19 -4.137 -5.563 -12.961 141 HG23 THR 19 2HG2 THR 19 -2.530 -5.737 -12.255 142 H SER 20 H SER 20 -1.852 -4.321 -9.733 143 HA SER 20 HA SER 20 -2.986 -2.907 -7.575 144 HB2 SER 20 1HB SER 20 -1.704 -0.950 -8.664 145 HB3 SER 20 2HB SER 20 -0.768 -2.345 -8.127 146 HG SER 20 HG SER 20 -1.261 -1.399 -10.687 147 H ILE 21 H ILE 21 -5.121 -2.502 -7.665 148 HA ILE 21 HA ILE 21 -6.337 -1.554 -10.129 149 HB ILE 21 HB ILE 21 -8.466 -1.627 -8.771 150 HG12 ILE 21 1HG1 ILE 21 -6.644 -2.992 -6.771 151 HG13 ILE 21 2HG1 ILE 21 -7.431 -1.433 -6.543 152 HG21 ILE 21 1HG2 ILE 21 -7.834 -3.400 -10.300 153 HG22 ILE 21 2HG2 ILE 21 -8.610 -4.073 -8.867 154 HG23 ILE 21 3HG2 ILE 21 -6.857 -4.161 -9.044 155 HD11 ILE 21 3HD1 ILE 21 -8.593 -3.194 -5.349 156 HD12 ILE 21 1HD1 ILE 21 -8.819 -4.084 -6.854 157 HD13 ILE 21 2HD1 ILE 21 -9.611 -2.524 -6.624 158 H ALA 22 H ALA 22 -5.176 -0.283 -7.165 159 HA ALA 22 HA ALA 22 -6.384 2.325 -7.813 160 HB1 ALA 22 3HB ALA 22 -6.140 2.918 -5.459 161 HB2 ALA 22 1HB ALA 22 -5.421 1.343 -5.123 162 HB3 ALA 22 2HB ALA 22 -7.104 1.452 -5.633 163 HA PRO 23 HA PRO 23 -2.419 4.044 -8.701 164 HB2 PRO 23 1HB PRO 23 -2.536 6.349 -7.136 165 HB3 PRO 23 2HB PRO 23 -3.143 6.192 -8.786 166 HG2 PRO 23 1HG PRO 23 -4.620 6.033 -6.199 167 HG3 PRO 23 2HG PRO 23 -5.129 6.737 -7.745 168 HD2 PRO 23 1HD PRO 23 -6.052 4.362 -6.929 169 HD3 PRO 23 2HD PRO 23 -5.694 4.672 -8.641 170 H SER 24 H SER 24 -0.464 3.580 -7.933 171 HA SER 24 HA SER 24 -0.049 2.560 -5.345 172 HB2 SER 24 1HB SER 24 2.010 3.632 -7.292 173 HB3 SER 24 2HB SER 24 2.320 2.539 -5.941 174 HG SER 24 HG SER 24 0.375 1.496 -7.425 175 H LEU 25 H LEU 25 0.112 3.589 -3.487 176 HA LEU 25 HA LEU 25 0.308 6.490 -3.504 177 HB2 LEU 25 1HB LEU 25 -1.479 5.402 -2.241 178 HB3 LEU 25 2HB LEU 25 -0.295 4.528 -1.296 179 HG LEU 25 HG LEU 25 0.509 6.680 -0.364 180 HD11 LEU 25 1HD1 LEU 25 -0.158 8.141 -2.197 181 HD12 LEU 25 2HD1 LEU 25 -0.858 8.682 -0.670 182 HD13 LEU 25 3HD1 LEU 25 -1.856 7.822 -1.843 183 HD21 LEU 25 3HD2 LEU 25 -1.116 5.330 0.841 184 HD22 LEU 25 1HD2 LEU 25 -2.434 6.117 -0.028 185 HD23 LEU 25 2HD2 LEU 25 -1.432 7.048 1.086 186 H TYR 26 H TYR 26 2.247 7.368 -3.403 187 HA TYR 26 HA TYR 26 4.420 5.946 -2.054 188 HB2 TYR 26 1HB TYR 26 4.549 8.423 -3.786 189 HB3 TYR 26 2HB TYR 26 5.920 7.496 -3.188 190 HD1 TYR 26 HD1 TYR 26 6.003 4.991 -3.929 191 HD2 TYR 26 HD2 TYR 26 3.710 7.988 -5.892 192 HE1 TYR 26 HE1 TYR 26 5.965 3.618 -5.970 193 HE2 TYR 26 HE2 TYR 26 3.661 6.623 -7.935 194 HH TYR 26 HH TYR 26 5.114 4.814 -8.962 195 H LEU 27 H LEU 27 4.401 6.375 0.065 196 HA LEU 27 HA LEU 27 3.914 9.089 0.998 197 HB2 LEU 27 1HB LEU 27 4.435 6.507 2.467 198 HB3 LEU 27 2HB LEU 27 4.233 8.055 3.267 199 HG LEU 27 HG LEU 27 2.151 6.743 1.533 200 HD11 LEU 27 1HD1 LEU 27 2.339 6.913 4.537 201 HD12 LEU 27 2HD1 LEU 27 2.542 5.454 3.568 202 HD13 LEU 27 3HD1 LEU 27 0.977 6.265 3.623 203 HD21 LEU 27 3HD2 LEU 27 2.019 9.148 3.342 204 HD22 LEU 27 1HD2 LEU 27 0.655 8.430 2.485 205 HD23 LEU 27 2HD2 LEU 27 1.977 9.167 1.579 206 H SER 28 H SER 28 5.522 10.438 0.888 207 HA SER 28 HA SER 28 8.162 9.585 1.832 208 HB2 SER 28 1HB SER 28 7.632 11.298 -0.611 209 HB3 SER 28 2HB SER 28 9.224 10.946 0.061 210 HG SER 28 HG SER 28 8.766 8.711 -0.328 211 H GLY 29 H GLY 29 8.617 10.731 3.568 212 HA2 GLY 29 1HA GLY 29 8.179 13.612 3.562 213 HA3 GLY 29 2HA GLY 29 7.349 12.693 4.811 214 H LEU 30 H LEU 30 8.367 12.552 6.678 215 HA LEU 30 HA LEU 30 11.145 13.332 6.868 216 HB2 LEU 30 1HB LEU 30 9.220 12.408 9.004 217 HB3 LEU 30 2HB LEU 30 10.815 13.076 9.294 218 HG LEU 30 HG LEU 30 8.476 14.549 8.074 219 HD11 LEU 30 1HD1 LEU 30 9.816 14.835 10.758 220 HD12 LEU 30 2HD1 LEU 30 8.220 14.144 10.464 221 HD13 LEU 30 3HD1 LEU 30 8.517 15.850 10.135 222 HD21 LEU 30 3HD2 LEU 30 11.250 15.514 8.762 223 HD22 LEU 30 1HD2 LEU 30 9.911 16.526 8.218 224 HD23 LEU 30 2HD2 LEU 30 10.593 15.310 7.138 225 H PHE 31 H PHE 31 12.827 12.041 7.693 226 HA PHE 31 HA PHE 31 12.656 9.282 6.907 227 HB2 PHE 31 1HB PHE 31 14.700 10.682 6.587 228 HB3 PHE 31 2HB PHE 31 14.912 10.712 8.335 229 HD1 PHE 31 HD2 PHE 31 14.781 8.456 5.399 230 HD2 PHE 31 HD1 PHE 31 16.020 8.967 9.438 231 HE1 PHE 31 HE2 PHE 31 16.060 6.357 5.269 232 HE2 PHE 31 HE1 PHE 31 17.301 6.871 9.315 233 HZ PHE 31 HZ PHE 31 17.321 5.563 7.228 234 H ASN 32 H ASN 32 12.459 7.515 8.154 235 HA ASN 32 HA ASN 32 11.872 6.213 9.900 236 HB2 ASN 32 1HB ASN 32 14.098 6.762 10.772 237 HB3 ASN 32 2HB ASN 32 13.446 8.200 11.553 238 HD21 ASN 32 2HD2 ASN 32 14.091 7.470 13.591 239 HD22 ASN 32 1HD2 ASN 32 13.252 6.189 14.408 240 H GLU 33 H GLU 33 9.702 6.517 9.801 241 HA GLU 33 HA GLU 33 8.517 7.931 12.021 242 HB2 GLU 33 1HB GLU 33 8.625 9.662 10.253 243 HB3 GLU 33 2HB GLU 33 7.734 8.601 9.172 244 HG2 GLU 33 1HG GLU 33 5.840 8.651 10.770 245 HG3 GLU 33 2HG GLU 33 6.735 9.825 11.733 246 H ALA 34 H ALA 34 6.730 6.903 12.731 247 HA ALA 34 HA ALA 34 5.853 4.503 11.392 248 HB1 ALA 34 3HB ALA 34 4.366 4.229 13.309 249 HB2 ALA 34 1HB ALA 34 4.775 5.850 13.870 250 HB3 ALA 34 2HB ALA 34 6.010 4.592 13.836 251 H TYR 35 H TYR 35 4.399 4.496 9.827 252 HA TYR 35 HA TYR 35 2.658 6.832 9.516 253 HB2 TYR 35 1HB TYR 35 2.395 5.942 7.150 254 HB3 TYR 35 2HB TYR 35 3.991 6.541 7.581 255 HD1 TYR 35 HD2 TYR 35 1.999 3.470 7.030 256 HD2 TYR 35 HD1 TYR 35 5.886 5.119 7.541 257 HE1 TYR 35 HE2 TYR 35 2.992 1.332 6.335 258 HE2 TYR 35 HE1 TYR 35 6.889 2.987 6.845 259 HH TYR 35 HH TYR 35 6.328 0.642 6.693 260 H ASN 36 H ASN 36 0.525 6.423 8.518 261 HA ASN 36 HA ASN 36 -0.724 4.016 9.660 262 HB2 ASN 36 1HB ASN 36 -1.608 6.128 10.544 263 HB3 ASN 36 2HB ASN 36 -1.942 6.686 8.909 264 HD21 ASN 36 2HD2 ASN 36 -4.104 6.924 9.140 265 HD22 ASN 36 1HD2 ASN 36 -5.197 5.602 9.390 266 H VAL 37 H VAL 37 -1.756 2.619 8.334 267 HA VAL 37 HA VAL 37 -1.503 3.083 5.464 268 HB VAL 37 HB VAL 37 -2.260 0.559 6.949 269 HG11 VAL 37 1HG1 VAL 37 -1.565 0.985 4.044 270 HG12 VAL 37 2HG1 VAL 37 -3.161 0.593 4.686 271 HG13 VAL 37 3HG1 VAL 37 -1.845 -0.574 4.818 272 HG21 VAL 37 3HG2 VAL 37 0.005 -0.196 6.410 273 HG22 VAL 37 1HG2 VAL 37 0.031 1.251 7.419 274 HG23 VAL 37 2HG2 VAL 37 0.358 1.374 5.689 275 HA PRO 38 HA PRO 38 -5.827 4.205 5.385 276 HB2 PRO 38 1HB PRO 38 -5.478 4.206 2.473 277 HB3 PRO 38 2HB PRO 38 -5.889 5.541 3.552 278 HG2 PRO 38 1HG PRO 38 -3.492 5.366 2.333 279 HG3 PRO 38 2HG PRO 38 -3.686 6.078 3.945 280 HD2 PRO 38 1HD PRO 38 -2.703 3.355 3.180 281 HD3 PRO 38 2HD PRO 38 -2.103 4.461 4.434 282 H MET 39 H MET 39 -7.376 2.735 5.611 283 HA MET 39 HA MET 39 -7.594 0.617 3.574 284 HB2 MET 39 1HB MET 39 -8.194 0.368 6.530 285 HB3 MET 39 2HB MET 39 -8.537 -0.866 5.326 286 HG2 MET 39 1HG MET 39 -6.127 -0.994 4.822 287 HG3 MET 39 2HG MET 39 -5.824 0.165 6.115 288 HE1 MET 39 3HE MET 39 -4.350 -2.619 6.004 289 HE2 MET 39 1HE MET 39 -4.482 -3.144 7.682 290 HE3 MET 39 2HE MET 39 -4.129 -1.457 7.311 291 H LYS 40 H LYS 40 -9.480 0.598 2.518 292 HA LYS 40 HA LYS 40 -11.773 1.995 3.730 293 HB2 LYS 40 1HB LYS 40 -10.784 2.356 0.895 294 HB3 LYS 40 2HB LYS 40 -12.261 3.044 1.549 295 HG2 LYS 40 1HG LYS 40 -10.967 4.395 3.099 296 HG3 LYS 40 2HG LYS 40 -9.473 3.675 2.492 297 HD2 LYS 40 1HD LYS 40 -9.946 4.582 0.267 298 HD3 LYS 40 2HD LYS 40 -11.436 5.302 0.877 299 HE2 LYS 40 1HE LYS 40 -8.662 5.940 1.870 300 HE3 LYS 40 2HE LYS 40 -9.575 6.917 0.722 301 HZ1 LYS 40 3HZ LYS 40 -11.232 7.339 2.389 302 HZ2 LYS 40 1HZ LYS 40 -9.710 7.742 3.017 303 HZ3 LYS 40 2HZ LYS 40 -10.468 6.303 3.488 304 H LYS 41 H LYS 41 -13.783 1.198 3.209 305 HA LYS 41 HA LYS 41 -13.898 -1.297 1.718 306 HB2 LYS 41 1HB LYS 41 -15.942 0.284 3.263 307 HB3 LYS 41 2HB LYS 41 -16.414 -1.044 2.217 308 HG2 LYS 41 1HG LYS 41 -14.856 -2.502 3.552 309 HG3 LYS 41 2HG LYS 41 -14.709 -1.157 4.687 310 HD2 LYS 41 1HD LYS 41 -17.333 -2.398 3.868 311 HD3 LYS 41 2HD LYS 41 -16.436 -2.855 5.317 312 HE2 LYS 41 1HE LYS 41 -17.165 0.005 4.815 313 HE3 LYS 41 2HE LYS 41 -18.345 -1.111 5.502 314 HZ1 LYS 41 3HZ LYS 41 -16.962 0.204 7.128 315 HZ2 LYS 41 1HZ LYS 41 -15.648 -0.749 6.659 316 HZ3 LYS 41 2HZ LYS 41 -17.004 -1.476 7.371 317 H ILE 42 H ILE 42 -13.453 -0.732 -0.377 318 HA ILE 42 HA ILE 42 -15.052 1.368 -1.626 319 HB ILE 42 HB ILE 42 -12.789 -0.257 -2.801 320 HG12 ILE 42 1HG1 ILE 42 -12.771 2.566 -1.704 321 HG13 ILE 42 2HG1 ILE 42 -12.097 1.162 -0.883 322 HG21 ILE 42 1HG2 ILE 42 -12.745 1.476 -4.535 323 HG22 ILE 42 2HG2 ILE 42 -14.144 2.252 -3.790 324 HG23 ILE 42 3HG2 ILE 42 -14.298 0.641 -4.492 325 HD11 ILE 42 3HD1 ILE 42 -10.364 2.475 -1.958 326 HD12 ILE 42 1HD1 ILE 42 -11.165 2.280 -3.516 327 HD13 ILE 42 2HD1 ILE 42 -10.487 0.876 -2.692 328 H LYS 43 H LYS 43 -17.024 0.665 -2.169 329 HA LYS 43 HA LYS 43 -18.665 -0.416 -3.298 330 HB2 LYS 43 1HB LYS 43 -16.413 -1.582 -4.943 331 HB3 LYS 43 2HB LYS 43 -18.107 -1.511 -5.404 332 HG2 LYS 43 1HG LYS 43 -18.009 0.917 -5.462 333 HG3 LYS 43 2HG LYS 43 -16.319 0.868 -4.953 334 HD2 LYS 43 1HD LYS 43 -15.790 -0.429 -6.996 335 HD3 LYS 43 2HD LYS 43 -17.467 -0.237 -7.514 336 HE2 LYS 43 1HE LYS 43 -17.173 2.207 -7.464 337 HE3 LYS 43 2HE LYS 43 -15.484 1.979 -7.016 338 HZ1 LYS 43 3HZ LYS 43 -15.739 2.384 -9.386 339 HZ2 LYS 43 1HZ LYS 43 -16.742 1.024 -9.531 340 HZ3 LYS 43 2HZ LYS 43 -15.113 0.833 -9.106 341 H GLY 44 H GLY 44 -17.357 -1.709 -1.002 342 HA2 GLY 44 1HA GLY 44 -17.982 -3.637 0.157 343 HA3 GLY 44 2HA GLY 44 -18.577 -4.319 -1.348 344 H TYR 45 H TYR 45 -15.358 -3.032 -0.634 345 HA TYR 45 HA TYR 45 -14.213 -5.583 -1.455 346 HB2 TYR 45 1HB TYR 45 -13.068 -2.829 -1.082 347 HB3 TYR 45 2HB TYR 45 -12.014 -4.234 -1.155 348 HD1 TYR 45 HD1 TYR 45 -14.843 -4.802 -3.197 349 HD2 TYR 45 HD2 TYR 45 -11.137 -2.715 -3.097 350 HE1 TYR 45 HE1 TYR 45 -14.857 -4.668 -5.652 351 HE2 TYR 45 HE2 TYR 45 -11.143 -2.578 -5.550 352 HH TYR 45 HH TYR 45 -12.144 -3.798 -7.463 353 H THR 46 H THR 46 -13.341 -6.984 -0.104 354 HA THR 46 HA THR 46 -13.049 -6.217 2.722 355 HB THR 46 HB THR 46 -13.155 -9.016 1.575 356 HG1 THR 46 HG1 THR 46 -15.104 -7.475 1.394 357 HG21 THR 46 3HG2 THR 46 -12.158 -8.829 3.808 358 HG22 THR 46 1HG2 THR 46 -13.718 -9.650 3.875 359 HG23 THR 46 2HG2 THR 46 -13.586 -7.964 4.376 360 H LEU 47 H LEU 47 -11.057 -6.269 3.638 361 HA LEU 47 HA LEU 47 -8.747 -6.688 2.015 362 HB2 LEU 47 1HB LEU 47 -8.709 -5.099 3.861 363 HB3 LEU 47 2HB LEU 47 -9.055 -6.380 5.004 364 HG LEU 47 HG LEU 47 -6.858 -7.415 4.437 365 HD11 LEU 47 1HD1 LEU 47 -6.441 -4.849 2.913 366 HD12 LEU 47 2HD1 LEU 47 -6.548 -6.469 2.224 367 HD13 LEU 47 3HD1 LEU 47 -5.197 -6.045 3.275 368 HD21 LEU 47 3HD2 LEU 47 -7.110 -6.015 6.409 369 HD22 LEU 47 1HD2 LEU 47 -6.776 -4.575 5.448 370 HD23 LEU 47 2HD2 LEU 47 -5.518 -5.789 5.684 371 H LEU 48 H LEU 48 -8.240 -8.671 1.343 372 HA LEU 48 HA LEU 48 -8.864 -11.086 2.638 373 HB2 LEU 48 1HB LEU 48 -8.132 -10.864 0.259 374 HB3 LEU 48 2HB LEU 48 -6.513 -10.498 0.821 375 HG LEU 48 HG LEU 48 -6.448 -12.765 1.891 376 HD11 LEU 48 1HD1 LEU 48 -8.840 -13.148 2.075 377 HD12 LEU 48 2HD1 LEU 48 -8.075 -14.428 1.132 378 HD13 LEU 48 3HD1 LEU 48 -8.988 -13.157 0.318 379 HD21 LEU 48 3HD2 LEU 48 -5.384 -12.329 -0.258 380 HD22 LEU 48 1HD2 LEU 48 -6.900 -12.680 -1.089 381 HD23 LEU 48 2HD2 LEU 48 -6.061 -13.956 -0.208 382 H LYS 49 H LYS 49 -5.873 -9.260 2.466 383 HA LYS 49 HA LYS 49 -5.248 -8.986 5.083 384 HB2 LYS 49 1HB LYS 49 -5.154 -11.501 5.196 385 HB3 LYS 49 2HB LYS 49 -3.824 -11.456 4.044 386 HG2 LYS 49 1HG LYS 49 -2.439 -10.263 5.590 387 HG3 LYS 49 2HG LYS 49 -3.783 -10.069 6.714 388 HD2 LYS 49 1HD LYS 49 -3.857 -12.510 7.012 389 HD3 LYS 49 2HD LYS 49 -2.473 -12.669 5.925 390 HE2 LYS 49 1HE LYS 49 -1.081 -11.410 7.426 391 HE3 LYS 49 2HE LYS 49 -2.457 -11.047 8.465 392 HZ1 LYS 49 3HZ LYS 49 -2.649 -13.426 8.941 393 HZ2 LYS 49 1HZ LYS 49 -1.145 -12.803 9.408 394 HZ3 LYS 49 2HZ LYS 49 -1.271 -13.731 7.995 395 H TYR 50 H TYR 50 -3.087 -8.110 5.348 396 HA TYR 50 HA TYR 50 -2.003 -7.135 2.852 397 HB2 TYR 50 1HB TYR 50 -0.341 -5.995 4.506 398 HB3 TYR 50 2HB TYR 50 -1.998 -5.418 4.407 399 HD1 TYR 50 HD2 TYR 50 0.438 -7.226 6.483 400 HD2 TYR 50 HD1 TYR 50 -3.529 -5.711 6.241 401 HE1 TYR 50 HE2 TYR 50 0.181 -7.527 8.909 402 HE2 TYR 50 HE1 TYR 50 -3.798 -6.004 8.664 403 HH TYR 50 HH TYR 50 -2.856 -7.274 10.483 404 H ASP 51 H ASP 51 -0.449 -8.057 1.783 405 HA ASP 51 HA ASP 51 0.771 -10.471 2.533 406 HB2 ASP 51 1HB ASP 51 0.625 -10.012 0.221 407 HB3 ASP 51 2HB ASP 51 1.372 -8.430 0.402 408 H SER 52 H SER 52 1.886 -7.146 2.680 409 HA SER 52 HA SER 52 4.213 -8.030 4.243 410 HB2 SER 52 1HB SER 52 3.820 -5.359 2.871 411 HB3 SER 52 2HB SER 52 5.310 -5.985 3.581 412 HG SER 52 HG SER 52 4.344 -7.733 1.765 413 H GLU 53 H GLU 53 4.656 -6.940 6.222 414 HA GLU 53 HA GLU 53 2.362 -6.364 7.746 415 HB2 GLU 53 1HB GLU 53 4.393 -7.246 8.766 416 HB3 GLU 53 2HB GLU 53 5.271 -5.784 8.342 417 HG2 GLU 53 1HG GLU 53 3.979 -4.480 9.865 418 HG3 GLU 53 2HG GLU 53 2.884 -5.825 10.169 419 H ILE 54 H ILE 54 1.430 -4.504 8.410 420 HA ILE 54 HA ILE 54 1.905 -2.177 6.768 421 HB ILE 54 HB ILE 54 -0.083 -1.243 7.933 422 HG12 ILE 54 1HG1 ILE 54 -0.160 -3.950 9.292 423 HG13 ILE 54 2HG1 ILE 54 0.233 -2.429 10.085 424 HG21 ILE 54 1HG2 ILE 54 -1.696 -2.793 6.927 425 HG22 ILE 54 2HG2 ILE 54 -0.420 -4.000 6.760 426 HG23 ILE 54 3HG2 ILE 54 -0.324 -2.486 5.861 427 HD11 ILE 54 3HD1 ILE 54 -2.009 -1.600 9.608 428 HD12 ILE 54 1HD1 ILE 54 -2.054 -3.099 10.536 429 HD13 ILE 54 2HD1 ILE 54 -2.401 -3.121 8.807 430 H LEU 55 H LEU 55 3.372 -3.232 9.456 431 HA LEU 55 HA LEU 55 3.595 -0.566 10.664 432 HB2 LEU 55 1HB LEU 55 2.964 -2.671 12.040 433 HB3 LEU 55 2HB LEU 55 4.650 -3.112 11.874 434 HG LEU 55 HG LEU 55 4.085 -2.011 14.039 435 HD11 LEU 55 1HD1 LEU 55 6.376 -1.973 13.215 436 HD12 LEU 55 2HD1 LEU 55 5.986 -0.485 14.078 437 HD13 LEU 55 3HD1 LEU 55 6.037 -0.495 12.314 438 HD21 LEU 55 3HD2 LEU 55 2.407 -0.453 13.233 439 HD22 LEU 55 1HD2 LEU 55 3.631 0.408 12.300 440 HD23 LEU 55 2HD2 LEU 55 3.704 0.406 14.062 441 H GLY 56 H GLY 56 5.141 0.490 9.599 442 HA2 GLY 56 1HA GLY 56 7.837 -0.600 9.699 443 HA3 GLY 56 2HA GLY 56 7.211 -0.216 8.099 444 H VAL 57 H VAL 57 9.322 1.157 8.532 445 HA VAL 57 HA VAL 57 8.387 3.800 9.418 446 HB VAL 57 HB VAL 57 10.677 4.309 10.218 447 HG11 VAL 57 1HG1 VAL 57 9.374 1.932 11.543 448 HG12 VAL 57 2HG1 VAL 57 8.972 3.628 11.810 449 HG13 VAL 57 3HG1 VAL 57 10.551 3.009 12.296 450 HG21 VAL 57 3HG2 VAL 57 11.930 2.687 8.903 451 HG22 VAL 57 1HG2 VAL 57 11.169 1.361 9.783 452 HG23 VAL 57 2HG2 VAL 57 12.255 2.469 10.622 453 H PHE 58 H PHE 58 9.024 5.541 8.205 454 HA PHE 58 HA PHE 58 9.668 5.299 5.524 455 HB2 PHE 58 1HB PHE 58 10.075 7.569 7.465 456 HB3 PHE 58 2HB PHE 58 10.474 7.719 5.759 457 HD1 PHE 58 HD2 PHE 58 7.695 7.066 8.115 458 HD2 PHE 58 HD1 PHE 58 8.829 8.188 4.173 459 HE1 PHE 58 HE2 PHE 58 5.368 7.692 7.629 460 HE2 PHE 58 HE1 PHE 58 6.503 8.816 3.679 461 HZ PHE 58 HZ PHE 58 4.767 8.567 5.406 462 H THR 59 H THR 59 11.432 4.525 4.598 463 HA THR 59 HA THR 59 14.045 5.302 5.627 464 HB THR 59 HB THR 59 14.744 2.834 5.016 465 HG1 THR 59 HG1 THR 59 11.978 2.634 5.661 466 HG21 THR 59 3HG2 THR 59 15.069 3.860 7.206 467 HG22 THR 59 1HG2 THR 59 14.500 2.200 7.375 468 HG23 THR 59 2HG2 THR 59 13.383 3.543 7.617 469 H GLU 60 H GLU 60 15.777 4.422 3.996 470 HA GLU 60 HA GLU 60 15.097 5.632 1.493 471 HB2 GLU 60 1HB GLU 60 17.624 4.178 2.292 472 HB3 GLU 60 2HB GLU 60 17.434 5.263 0.920 473 HG2 GLU 60 1HG GLU 60 16.969 7.111 2.461 474 HG3 GLU 60 2HG GLU 60 17.207 6.020 3.824 475 H SER 61 H SER 61 15.275 2.422 2.740 476 HA SER 61 HA SER 61 15.214 1.146 0.153 477 HB2 SER 61 1HB SER 61 14.562 -0.039 2.864 478 HB3 SER 61 2HB SER 61 14.978 -0.918 1.393 479 HG SER 61 HG SER 61 16.752 0.986 2.485 480 HA PRO 62 HA PRO 62 10.899 2.076 -0.423 481 HB2 PRO 62 1HB PRO 62 11.083 -0.062 -2.463 482 HB3 PRO 62 2HB PRO 62 10.578 1.622 -2.639 483 HG2 PRO 62 1HG PRO 62 12.941 0.785 -3.563 484 HG3 PRO 62 2HG PRO 62 12.753 2.391 -2.834 485 HD2 PRO 62 1HD PRO 62 13.923 -0.100 -1.660 486 HD3 PRO 62 2HD PRO 62 14.465 1.584 -1.502 487 H GLN 63 H GLN 63 9.714 1.290 1.248 488 HA GLN 63 HA GLN 63 9.319 -1.590 1.486 489 HB2 GLN 63 1HB GLN 63 8.398 0.721 3.203 490 HB3 GLN 63 2HB GLN 63 7.959 -0.955 3.508 491 HG2 GLN 63 1HG GLN 63 10.319 -1.524 3.773 492 HG3 GLN 63 2HG GLN 63 10.756 0.156 3.470 493 HE21 GLN 63 2HE2 GLN 63 11.748 0.353 5.457 494 HE22 GLN 63 1HE2 GLN 63 10.855 0.460 6.931 495 H THR 64 H THR 64 7.933 -2.384 0.061 496 HA THR 64 HA THR 64 5.544 -0.854 -0.650 497 HB THR 64 HB THR 64 6.546 -3.463 -1.816 498 HG1 THR 64 HG1 THR 64 7.142 -0.772 -2.351 499 HG21 THR 64 3HG2 THR 64 4.513 -1.470 -2.836 500 HG22 THR 64 1HG2 THR 64 4.154 -3.067 -2.180 501 HG23 THR 64 2HG2 THR 64 5.057 -2.916 -3.688 502 H ILE 65 H ILE 65 3.764 -1.176 0.497 503 HA ILE 65 HA ILE 65 3.387 -3.721 1.903 504 HB ILE 65 HB ILE 65 1.792 -1.161 2.151 505 HG12 ILE 65 1HG1 ILE 65 3.938 -2.299 3.960 506 HG13 ILE 65 2HG1 ILE 65 4.128 -0.898 2.909 507 HG21 ILE 65 1HG2 ILE 65 1.811 -3.662 3.840 508 HG22 ILE 65 2HG2 ILE 65 0.518 -3.149 2.754 509 HG23 ILE 65 3HG2 ILE 65 0.897 -2.195 4.188 510 HD11 ILE 65 3HD1 ILE 65 3.759 -0.229 5.207 511 HD12 ILE 65 1HD1 ILE 65 2.237 -1.120 5.238 512 HD13 ILE 65 2HD1 ILE 65 2.416 0.283 4.184 513 H ASN 66 H ASN 66 2.352 -5.208 0.790 514 HA ASN 66 HA ASN 66 0.588 -4.539 -1.389 515 HB2 ASN 66 1HB ASN 66 1.462 -7.184 -0.210 516 HB3 ASN 66 2HB ASN 66 0.405 -7.039 -1.609 517 HD21 ASN 66 2HD2 ASN 66 3.224 -8.076 -1.120 518 HD22 ASN 66 1HD2 ASN 66 4.157 -7.329 -2.379 519 H ILE 67 H ILE 67 -1.305 -3.701 -0.722 520 HA ILE 67 HA ILE 67 -2.834 -5.058 1.387 521 HB ILE 67 HB ILE 67 -3.357 -2.443 -0.049 522 HG12 ILE 67 1HG1 ILE 67 -1.414 -2.373 1.465 523 HG13 ILE 67 2HG1 ILE 67 -2.738 -1.379 2.059 524 HG21 ILE 67 1HG2 ILE 67 -5.093 -2.067 1.643 525 HG22 ILE 67 2HG2 ILE 67 -4.815 -3.689 2.276 526 HG23 ILE 67 3HG2 ILE 67 -5.441 -3.477 0.642 527 HD11 ILE 67 3HD1 ILE 67 -1.677 -2.603 3.862 528 HD12 ILE 67 1HD1 ILE 67 -2.014 -4.129 3.045 529 HD13 ILE 67 2HD1 ILE 67 -3.343 -3.136 3.642 530 H ILE 68 H ILE 68 -3.997 -6.738 0.624 531 HA ILE 68 HA ILE 68 -4.953 -6.654 -2.136 532 HB ILE 68 HB ILE 68 -4.852 -8.967 -0.195 533 HG12 ILE 68 1HG1 ILE 68 -3.097 -8.307 -2.573 534 HG13 ILE 68 2HG1 ILE 68 -2.634 -8.110 -0.886 535 HG21 ILE 68 1HG2 ILE 68 -6.624 -9.253 -1.837 536 HG22 ILE 68 2HG2 ILE 68 -5.295 -10.367 -2.164 537 HG23 ILE 68 3HG2 ILE 68 -5.490 -8.914 -3.144 538 HD11 ILE 68 3HD1 ILE 68 -1.679 -10.124 -1.832 539 HD12 ILE 68 1HD1 ILE 68 -3.290 -10.710 -2.245 540 HD13 ILE 68 2HD1 ILE 68 -2.830 -10.517 -0.554 541 H TYR 69 H TYR 69 -6.944 -5.990 -2.514 542 HA TYR 69 HA TYR 69 -9.027 -6.439 -0.485 543 HB2 TYR 69 1HB TYR 69 -8.816 -4.501 -2.782 544 HB3 TYR 69 2HB TYR 69 -10.345 -4.822 -1.976 545 HD1 TYR 69 HD1 TYR 69 -10.123 -4.680 0.714 546 HD2 TYR 69 HD2 TYR 69 -7.672 -2.629 -2.095 547 HE1 TYR 69 HE1 TYR 69 -9.608 -2.981 2.414 548 HE2 TYR 69 HE2 TYR 69 -7.145 -0.926 -0.400 549 HH TYR 69 HH TYR 69 -7.736 -1.330 2.855 550 H GLN 70 H GLN 70 -10.713 -7.731 -0.871 551 HA GLN 70 HA GLN 70 -11.114 -8.743 -3.613 552 HB2 GLN 70 1HB GLN 70 -10.186 -10.522 -2.240 553 HB3 GLN 70 2HB GLN 70 -11.389 -10.234 -0.991 554 HG2 GLN 70 1HG GLN 70 -13.152 -10.936 -2.533 555 HG3 GLN 70 2HG GLN 70 -11.939 -11.237 -3.776 556 HE21 GLN 70 2HE2 GLN 70 -13.857 -13.049 -2.507 557 HE22 GLN 70 1HE2 GLN 70 -12.912 -14.335 -1.837 558 H LYS 71 H LYS 71 -13.073 -8.272 -4.415 559 HA LYS 71 HA LYS 71 -15.054 -6.925 -2.920 560 HB2 LYS 71 1HB LYS 71 -14.881 -6.678 -5.353 561 HB3 LYS 71 2HB LYS 71 -15.310 -8.370 -5.569 562 HG2 LYS 71 1HG LYS 71 -17.503 -7.920 -4.543 563 HG3 LYS 71 2HG LYS 71 -17.069 -6.216 -4.413 564 HD2 LYS 71 1HD LYS 71 -16.901 -6.043 -6.822 565 HD3 LYS 71 2HD LYS 71 -17.215 -7.773 -6.993 566 HE2 LYS 71 1HE LYS 71 -19.426 -7.459 -5.973 567 HE3 LYS 71 2HE LYS 71 -19.111 -5.729 -5.840 568 HZ1 LYS 71 3HZ LYS 71 -19.043 -5.546 -8.210 569 HZ2 LYS 71 1HZ LYS 71 -20.475 -6.342 -7.779 570 HZ3 LYS 71 2HZ LYS 71 -19.169 -7.226 -8.405 571 H LYS 72 H LYS 72 -16.641 -7.659 -1.656 572 HA LYS 72 HA LYS 72 -16.801 -10.529 -1.250 573 HB2 LYS 72 1HB LYS 72 -18.126 -9.961 0.744 574 HB3 LYS 72 2HB LYS 72 -16.580 -9.129 0.716 575 HG2 LYS 72 1HG LYS 72 -17.855 -7.143 -0.251 576 HG3 LYS 72 2HG LYS 72 -19.317 -8.002 0.242 577 HD2 LYS 72 1HD LYS 72 -18.438 -8.101 2.550 578 HD3 LYS 72 2HD LYS 72 -17.035 -7.167 2.029 579 HE2 LYS 72 1HE LYS 72 -18.623 -5.704 3.091 580 HE3 LYS 72 2HE LYS 72 -18.535 -5.331 1.370 581 HZ1 LYS 72 3HZ LYS 72 -20.816 -5.442 2.415 582 HZ2 LYS 72 1HZ LYS 72 -20.616 -7.118 2.485 583 HZ3 LYS 72 2HZ LYS 72 -20.608 -6.325 0.985 584 H ALA 73 H ALA 73 -18.442 -11.804 -1.754 585 HA ALA 73 HA ALA 73 -20.538 -10.762 -3.442 586 HB1 ALA 73 3HB ALA 73 -21.147 -13.083 -3.820 587 HB2 ALA 73 1HB ALA 73 -20.033 -13.599 -2.554 588 HB3 ALA 73 2HB ALA 73 -19.411 -12.855 -4.027 589 HA PRO 74 HA PRO 74 -23.301 -12.373 0.217 590 HB2 PRO 74 1HB PRO 74 -22.071 -12.610 2.639 591 HB3 PRO 74 2HB PRO 74 -22.286 -13.965 1.525 592 HG2 PRO 74 1HG PRO 74 -19.879 -12.240 1.968 593 HG3 PRO 74 2HG PRO 74 -19.975 -14.002 1.781 594 HD2 PRO 74 1HD PRO 74 -19.232 -12.402 -0.249 595 HD3 PRO 74 2HD PRO 74 -20.188 -13.873 -0.519 596 H GLU 75 H GLU 75 -24.257 -11.123 1.978 597 HA GLU 75 HA GLU 75 -23.838 -8.360 1.645 598 HB2 GLU 75 1HB GLU 75 -25.342 -9.879 3.769 599 HB3 GLU 75 2HB GLU 75 -25.349 -8.127 3.642 600 HG2 GLU 75 1HG GLU 75 -26.258 -8.390 1.329 601 HG3 GLU 75 2HG GLU 75 -26.432 -10.113 1.670 602 H GLN 76 H GLN 76 -23.507 -10.180 4.691 603 HA GLN 76 HA GLN 76 -22.315 -9.751 6.574 604 HB2 GLN 76 1HB GLN 76 -20.301 -8.852 4.505 605 HB3 GLN 76 2HB GLN 76 -19.932 -9.017 6.217 606 HG2 GLN 76 1HG GLN 76 -20.420 -11.377 6.136 607 HG3 GLN 76 2HG GLN 76 -20.925 -11.244 4.454 608 HE21 GLN 76 2HE2 GLN 76 -18.820 -12.847 5.740 609 HE22 GLN 76 1HE2 GLN 76 -17.364 -12.451 4.889 610 H ALA 77 H ALA 77 -24.112 -7.707 5.529 611 HA ALA 77 HA ALA 77 -22.846 -5.162 6.117 612 HB1 ALA 77 3HB ALA 77 -24.413 -5.328 4.246 613 HB2 ALA 77 1HB ALA 77 -24.988 -4.188 5.463 614 HB3 ALA 77 2HB ALA 77 -25.698 -5.800 5.359 615 H LEU 78 H LEU 78 -23.056 -7.115 8.227 616 HA LEU 78 HA LEU 78 -25.083 -6.140 10.052 617 HB2 LEU 78 1HB LEU 78 -22.777 -8.035 10.520 618 HB3 LEU 78 2HB LEU 78 -24.095 -7.733 11.635 619 HG LEU 78 HG LEU 78 -24.381 -9.001 8.909 620 HD11 LEU 78 1HD1 LEU 78 -24.812 -11.057 10.150 621 HD12 LEU 78 2HD1 LEU 78 -24.476 -10.218 11.664 622 HD13 LEU 78 3HD1 LEU 78 -23.193 -10.438 10.475 623 HD21 LEU 78 3HD2 LEU 78 -26.375 -7.768 9.578 624 HD22 LEU 78 1HD2 LEU 78 -26.383 -8.604 11.131 625 HD23 LEU 78 2HD2 LEU 78 -26.660 -9.507 9.642 626 H GLU 79 H GLU 79 -22.574 -4.678 8.912 627 HA GLU 79 HA GLU 79 -20.937 -4.040 11.128 628 HB2 GLU 79 1HB GLU 79 -21.366 -2.522 8.551 629 HB3 GLU 79 2HB GLU 79 -20.064 -2.240 9.696 630 HG2 GLU 79 1HG GLU 79 -19.195 -4.476 9.270 631 HG3 GLU 79 2HG GLU 79 -20.511 -4.772 8.132 632 H HIS 80 H HIS 80 -22.224 -3.378 12.834 633 HA HIS 80 HA HIS 80 -23.844 -1.017 12.637 634 HB2 HIS 80 1HB HIS 80 -22.680 -2.471 15.030 635 HB3 HIS 80 2HB HIS 80 -23.755 -1.082 15.152 636 HD1 HIS 80 HD1 HIS 80 -23.745 -4.744 14.657 637 HD2 HIS 80 HD2 HIS 80 -26.439 -1.596 14.260 638 HE1 HIS 80 HE1 HIS 80 -26.014 -5.809 14.478 639 HE2 HIS 80 HE2 HIS 80 -27.640 -3.886 14.405 640 H HIS 81 H HIS 81 -23.206 1.084 12.970 641 HA HIS 81 HA HIS 81 -20.478 1.537 12.274 642 HB2 HIS 81 1HB HIS 81 -22.709 3.474 12.893 643 HB3 HIS 81 2HB HIS 81 -21.124 3.948 12.294 644 HD1 HIS 81 HD1 HIS 81 -24.378 2.544 11.224 645 HD2 HIS 81 HD2 HIS 81 -20.618 3.216 9.585 646 HE1 HIS 81 HE1 HIS 81 -24.672 2.304 8.738 647 HE2 HIS 81 HE2 HIS 81 -22.344 2.501 7.794 648 H HIS 82 H HIS 82 -19.550 0.568 14.186 649 HA HIS 82 HA HIS 82 -18.875 2.690 16.097 650 HB2 HIS 82 1HB HIS 82 -19.291 -0.188 16.947 651 HB3 HIS 82 2HB HIS 82 -18.872 1.167 17.983 652 HD1 HIS 82 HD1 HIS 82 -21.600 -0.874 17.197 653 HD2 HIS 82 HD2 HIS 82 -21.160 3.216 17.798 654 HE1 HIS 82 HE1 HIS 82 -23.903 -0.017 17.737 655 HE2 HIS 82 HE2 HIS 82 -23.646 2.484 17.897 656 H HIS 83 H HIS 83 -18.184 -0.614 15.027 657 HA HIS 83 HA HIS 83 -15.318 0.074 14.912 658 HB2 HIS 83 1HB HIS 83 -16.532 -2.661 15.405 659 HB3 HIS 83 2HB HIS 83 -14.815 -2.308 15.281 660 HD1 HIS 83 HD1 HIS 83 -16.537 -3.506 17.765 661 HD2 HIS 83 HD2 HIS 83 -14.846 0.279 17.403 662 HE1 HIS 83 HE1 HIS 83 -16.235 -2.667 20.118 663 HE2 HIS 83 HE2 HIS 83 -15.385 -0.310 19.868 664 H HIS 84 H HIS 84 -14.186 -1.514 13.312 665 HA HIS 84 HA HIS 84 -13.857 -2.131 11.144 666 HB2 HIS 84 1HB HIS 84 -15.681 -3.800 12.023 667 HB3 HIS 84 2HB HIS 84 -16.750 -2.915 10.943 668 HD1 HIS 84 HD1 HIS 84 -16.665 -3.516 8.489 669 HD2 HIS 84 HD2 HIS 84 -13.522 -5.152 10.679 670 HE1 HIS 84 HE1 HIS 84 -15.497 -5.106 6.928 671 HE2 HIS 84 HE2 HIS 84 -13.752 -6.247 8.343 672 H HIS 85 H HIS 85 -14.133 0.461 11.344 673 HA HIS 85 HA HIS 85 -16.322 1.776 10.238 674 HB2 HIS 85 1HB HIS 85 -13.446 2.710 10.147 675 HB3 HIS 85 2HB HIS 85 -14.881 3.721 10.034 676 HD1 HIS 85 HD1 HIS 85 -12.415 2.694 12.373 677 HD2 HIS 85 HD2 HIS 85 -16.508 3.414 12.571 678 HE1 HIS 85 HE1 HIS 85 -12.932 3.026 14.814 679 HE2 HIS 85 HE2 HIS 85 -15.438 3.248 14.920 Start of MODEL 16 1 H1 MET 1 1H MET 1 20.549 13.547 -6.544 2 H2 MET 1 2H MET 1 20.369 15.209 -6.253 3 H3 MET 1 3H MET 1 19.023 14.182 -6.173 4 HA MET 1 HA MET 1 20.054 13.005 -4.298 5 HB2 MET 1 1HB MET 1 21.997 15.323 -4.377 6 HB3 MET 1 2HB MET 1 21.939 14.061 -3.156 7 HG2 MET 1 1HG MET 1 22.535 12.401 -4.843 8 HG3 MET 1 2HG MET 1 22.593 13.671 -6.066 9 HE1 MET 1 3HE MET 1 25.576 15.877 -4.728 10 HE2 MET 1 1HE MET 1 23.870 16.064 -4.322 11 HE3 MET 1 2HE MET 1 24.347 15.709 -5.982 12 H ASP 2 H ASP 2 20.489 16.530 -4.291 13 HA ASP 2 HA ASP 2 19.282 17.096 -1.891 14 HB2 ASP 2 1HB ASP 2 18.761 19.380 -3.101 15 HB3 ASP 2 2HB ASP 2 20.420 18.895 -2.763 16 H PHE 3 H PHE 3 17.663 17.523 -5.054 17 HA PHE 3 HA PHE 3 15.095 17.519 -3.679 18 HB2 PHE 3 1HB PHE 3 15.914 18.164 -6.506 19 HB3 PHE 3 2HB PHE 3 14.225 18.024 -6.027 20 HD1 PHE 3 HD1 PHE 3 13.274 19.593 -4.382 21 HD2 PHE 3 HD2 PHE 3 17.204 20.078 -5.938 22 HE1 PHE 3 HE1 PHE 3 13.289 21.928 -3.604 23 HE2 PHE 3 HE2 PHE 3 17.226 22.412 -5.165 24 HZ PHE 3 HZ PHE 3 15.268 23.340 -3.995 25 H GLY 4 H GLY 4 16.796 15.078 -4.047 26 HA2 GLY 4 1HA GLY 4 15.406 13.313 -5.794 27 HA3 GLY 4 2HA GLY 4 16.424 12.837 -4.438 28 H LYS 5 H LYS 5 15.064 14.193 -2.415 29 HA LYS 5 HA LYS 5 13.348 14.110 -0.959 30 HB2 LYS 5 1HB LYS 5 11.607 13.302 -3.295 31 HB3 LYS 5 2HB LYS 5 11.069 13.974 -1.760 32 HG2 LYS 5 1HG LYS 5 12.343 16.044 -2.291 33 HG3 LYS 5 2HG LYS 5 12.692 15.367 -3.880 34 HD2 LYS 5 1HD LYS 5 10.837 16.820 -4.148 35 HD3 LYS 5 2HD LYS 5 10.200 15.175 -4.214 36 HE2 LYS 5 1HE LYS 5 9.345 15.317 -2.017 37 HE3 LYS 5 2HE LYS 5 10.251 16.793 -1.682 38 HZ1 LYS 5 3HZ LYS 5 7.957 16.511 -3.551 39 HZ2 LYS 5 1HZ LYS 5 8.882 17.923 -3.367 40 HZ3 LYS 5 2HZ LYS 5 7.967 17.336 -2.071 41 HA PRO 6 HA PRO 6 14.017 9.698 -0.421 42 HB2 PRO 6 1HB PRO 6 14.681 9.793 2.166 43 HB3 PRO 6 2HB PRO 6 15.786 10.367 0.910 44 HG2 PRO 6 1HG PRO 6 13.998 11.934 2.725 45 HG3 PRO 6 2HG PRO 6 15.662 12.279 2.220 46 HD2 PRO 6 1HD PRO 6 13.416 13.428 1.105 47 HD3 PRO 6 2HD PRO 6 14.986 13.292 0.292 48 H ASN 7 H ASN 7 13.290 8.119 1.293 49 HA ASN 7 HA ASN 7 11.655 6.989 2.370 50 HB2 ASN 7 1HB ASN 7 10.664 9.717 3.223 51 HB3 ASN 7 2HB ASN 7 10.211 8.180 3.945 52 HD21 ASN 7 2HD2 ASN 7 11.415 10.493 5.177 53 HD22 ASN 7 1HD2 ASN 7 12.918 9.960 5.853 54 H GLN 8 H GLN 8 10.923 6.442 0.198 55 HA GLN 8 HA GLN 8 8.214 7.489 -0.274 56 HB2 GLN 8 1HB GLN 8 10.127 6.528 -2.414 57 HB3 GLN 8 2HB GLN 8 8.511 7.173 -2.668 58 HG2 GLN 8 1HG GLN 8 9.304 9.327 -1.685 59 HG3 GLN 8 2HG GLN 8 10.933 8.654 -1.679 60 HE21 GLN 8 2HE2 GLN 8 9.976 10.969 -3.079 61 HE22 GLN 8 1HE2 GLN 8 10.227 10.684 -4.767 62 H VAL 9 H VAL 9 7.080 5.903 0.717 63 HA VAL 9 HA VAL 9 7.713 3.111 0.221 64 HB VAL 9 HB VAL 9 5.477 4.350 1.836 65 HG11 VAL 9 1HG1 VAL 9 4.896 2.111 1.104 66 HG12 VAL 9 2HG1 VAL 9 5.239 2.120 2.835 67 HG13 VAL 9 3HG1 VAL 9 6.438 1.496 1.702 68 HG21 VAL 9 3HG2 VAL 9 8.115 3.179 2.708 69 HG22 VAL 9 1HG2 VAL 9 6.830 3.728 3.784 70 HG23 VAL 9 2HG2 VAL 9 7.665 4.884 2.747 71 H THR 10 H THR 10 6.665 1.811 -1.168 72 HA THR 10 HA THR 10 4.765 3.077 -2.979 73 HB THR 10 HB THR 10 5.917 0.289 -3.169 74 HG1 THR 10 HG1 THR 10 7.261 2.544 -3.233 75 HG21 THR 10 3HG2 THR 10 4.802 2.176 -5.251 76 HG22 THR 10 1HG2 THR 10 3.993 0.742 -4.619 77 HG23 THR 10 2HG2 THR 10 5.472 0.575 -5.567 78 H VAL 11 H VAL 11 2.707 3.037 -2.322 79 HA VAL 11 HA VAL 11 1.682 0.666 -0.944 80 HB VAL 11 HB VAL 11 0.354 3.343 -1.411 81 HG11 VAL 11 1HG1 VAL 11 -1.310 2.577 0.214 82 HG12 VAL 11 2HG1 VAL 11 -0.516 1.003 0.285 83 HG13 VAL 11 3HG1 VAL 11 -1.275 1.541 -1.213 84 HG21 VAL 11 3HG2 VAL 11 2.249 3.522 0.103 85 HG22 VAL 11 1HG2 VAL 11 1.623 2.188 1.071 86 HG23 VAL 11 2HG2 VAL 11 0.734 3.709 0.985 87 H ASN 12 H ASN 12 0.940 -0.871 -2.184 88 HA ASN 12 HA ASN 12 -0.231 -0.223 -4.800 89 HB2 ASN 12 1HB ASN 12 0.888 -2.797 -3.667 90 HB3 ASN 12 2HB ASN 12 0.058 -2.701 -5.215 91 HD21 ASN 12 2HD2 ASN 12 2.834 -3.427 -4.487 92 HD22 ASN 12 1HD2 ASN 12 3.834 -2.388 -5.452 93 H TYR 13 H TYR 13 -2.386 -0.146 -4.864 94 HA TYR 13 HA TYR 13 -3.950 -1.570 -2.869 95 HB2 TYR 13 1HB TYR 13 -4.724 0.370 -5.049 96 HB3 TYR 13 2HB TYR 13 -5.897 -0.439 -4.016 97 HD1 TYR 13 HD1 TYR 13 -5.981 0.070 -1.609 98 HD2 TYR 13 HD2 TYR 13 -3.426 2.217 -4.245 99 HE1 TYR 13 HE1 TYR 13 -5.739 1.839 0.077 100 HE2 TYR 13 HE2 TYR 13 -3.176 3.993 -2.563 101 HH TYR 13 HH TYR 13 -4.189 3.606 0.674 102 H LEU 14 H LEU 14 -3.967 -3.706 -3.319 103 HA LEU 14 HA LEU 14 -4.456 -4.532 -6.078 104 HB2 LEU 14 1HB LEU 14 -3.682 -6.185 -3.675 105 HB3 LEU 14 2HB LEU 14 -3.833 -6.778 -5.319 106 HG LEU 14 HG LEU 14 -1.818 -4.773 -4.320 107 HD11 LEU 14 1HD1 LEU 14 -1.537 -7.615 -5.271 108 HD12 LEU 14 2HD1 LEU 14 -1.237 -7.001 -3.645 109 HD13 LEU 14 3HD1 LEU 14 -0.189 -6.518 -4.976 110 HD21 LEU 14 3HD2 LEU 14 -2.511 -4.211 -6.576 111 HD22 LEU 14 1HD2 LEU 14 -2.210 -5.870 -7.095 112 HD23 LEU 14 2HD2 LEU 14 -0.868 -4.854 -6.567 113 H ASP 15 H ASP 15 -6.191 -5.528 -6.731 114 HA ASP 15 HA ASP 15 -8.623 -5.060 -5.417 115 HB2 ASP 15 1HB ASP 15 -9.194 -5.194 -7.575 116 HB3 ASP 15 2HB ASP 15 -7.717 -6.052 -7.974 117 H GLU 16 H GLU 16 -7.050 -8.136 -6.123 118 HA GLU 16 HA GLU 16 -7.403 -9.472 -3.760 119 HB2 GLU 16 1HB GLU 16 -9.881 -9.049 -4.265 120 HB3 GLU 16 2HB GLU 16 -9.696 -10.151 -5.619 121 HG2 GLU 16 1HG GLU 16 -8.841 -11.123 -2.959 122 HG3 GLU 16 2HG GLU 16 -10.570 -10.920 -3.232 123 H ASN 17 H ASN 17 -7.723 -9.590 -7.232 124 HA ASN 17 HA ASN 17 -6.363 -12.149 -7.467 125 HB2 ASN 17 1HB ASN 17 -7.215 -10.159 -9.590 126 HB3 ASN 17 2HB ASN 17 -6.621 -11.789 -9.893 127 HD21 ASN 17 2HD2 ASN 17 -9.269 -9.869 -8.697 128 HD22 ASN 17 1HD2 ASN 17 -10.453 -11.138 -8.726 129 H ASN 18 H ASN 18 -5.117 -9.683 -6.285 130 HA ASN 18 HA ASN 18 -3.093 -8.684 -6.159 131 HB2 ASN 18 1HB ASN 18 -2.341 -10.822 -8.155 132 HB3 ASN 18 2HB ASN 18 -1.182 -9.694 -7.456 133 HD21 ASN 18 2HD2 ASN 18 -1.385 -12.608 -7.275 134 HD22 ASN 18 1HD2 ASN 18 -1.459 -12.969 -5.581 135 H THR 19 H THR 19 -5.132 -8.145 -8.434 136 HA THR 19 HA THR 19 -3.462 -6.723 -10.335 137 HB THR 19 HB THR 19 -6.467 -6.564 -10.148 138 HG1 THR 19 HG1 THR 19 -5.059 -8.522 -11.672 139 HG21 THR 19 3HG2 THR 19 -6.290 -6.249 -12.578 140 HG22 THR 19 1HG2 THR 19 -4.536 -6.392 -12.466 141 HG23 THR 19 2HG2 THR 19 -5.360 -5.032 -11.702 142 H SER 20 H SER 20 -2.874 -4.638 -10.070 143 HA SER 20 HA SER 20 -3.854 -3.121 -7.833 144 HB2 SER 20 1HB SER 20 -1.486 -3.016 -8.655 145 HB3 SER 20 2HB SER 20 -2.070 -2.198 -10.103 146 HG SER 20 HG SER 20 -1.321 -1.010 -7.997 147 H ILE 21 H ILE 21 -5.817 -2.246 -7.912 148 HA ILE 21 HA ILE 21 -6.916 -1.426 -10.497 149 HB ILE 21 HB ILE 21 -9.081 -1.256 -9.288 150 HG12 ILE 21 1HG1 ILE 21 -7.526 -2.457 -6.982 151 HG13 ILE 21 2HG1 ILE 21 -8.151 -0.812 -7.035 152 HG21 ILE 21 1HG2 ILE 21 -7.645 -3.898 -9.083 153 HG22 ILE 21 2HG2 ILE 21 -8.489 -3.269 -10.498 154 HG23 ILE 21 3HG2 ILE 21 -9.395 -3.679 -9.042 155 HD11 ILE 21 3HD1 ILE 21 -9.802 -3.329 -7.082 156 HD12 ILE 21 1HD1 ILE 21 -10.429 -1.681 -7.127 157 HD13 ILE 21 2HD1 ILE 21 -9.570 -2.258 -5.699 158 H ALA 22 H ALA 22 -5.405 -0.066 -7.842 159 HA ALA 22 HA ALA 22 -6.409 2.590 -8.605 160 HB1 ALA 22 3HB ALA 22 -6.215 3.332 -6.290 161 HB2 ALA 22 1HB ALA 22 -5.715 1.714 -5.800 162 HB3 ALA 22 2HB ALA 22 -7.344 1.983 -6.418 163 HA PRO 23 HA PRO 23 -2.235 3.487 -9.661 164 HB2 PRO 23 1HB PRO 23 -2.853 6.151 -8.467 165 HB3 PRO 23 2HB PRO 23 -2.168 5.756 -10.049 166 HG2 PRO 23 1HG PRO 23 -4.710 6.504 -9.829 167 HG3 PRO 23 2HG PRO 23 -4.236 5.219 -10.958 168 HD2 PRO 23 1HD PRO 23 -5.590 5.012 -8.306 169 HD3 PRO 23 2HD PRO 23 -5.815 4.033 -9.771 170 H SER 24 H SER 24 -0.653 2.672 -8.498 171 HA SER 24 HA SER 24 -0.358 2.564 -5.767 172 HB2 SER 24 1HB SER 24 1.871 2.743 -7.810 173 HB3 SER 24 2HB SER 24 1.994 2.056 -6.191 174 HG SER 24 HG SER 24 1.282 0.259 -6.975 175 H LEU 25 H LEU 25 0.023 4.047 -4.247 176 HA LEU 25 HA LEU 25 1.064 6.644 -5.149 177 HB2 LEU 25 1HB LEU 25 -0.013 7.625 -3.161 178 HB3 LEU 25 2HB LEU 25 -1.151 6.878 -4.260 179 HG LEU 25 HG LEU 25 -0.984 4.836 -2.642 180 HD11 LEU 25 1HD1 LEU 25 0.865 5.690 -1.296 181 HD12 LEU 25 2HD1 LEU 25 -0.588 5.468 -0.320 182 HD13 LEU 25 3HD1 LEU 25 -0.110 7.086 -0.833 183 HD21 LEU 25 3HD2 LEU 25 -2.817 5.760 -1.321 184 HD22 LEU 25 1HD2 LEU 25 -2.985 6.169 -3.028 185 HD23 LEU 25 2HD2 LEU 25 -2.409 7.381 -1.883 186 H TYR 26 H TYR 26 2.517 7.784 -3.751 187 HA TYR 26 HA TYR 26 4.273 5.900 -2.370 188 HB2 TYR 26 1HB TYR 26 4.807 8.651 -3.495 189 HB3 TYR 26 2HB TYR 26 5.979 7.739 -2.546 190 HD1 TYR 26 HD2 TYR 26 6.526 5.344 -3.417 191 HD2 TYR 26 HD1 TYR 26 4.765 8.392 -5.807 192 HE1 TYR 26 HE2 TYR 26 7.263 4.169 -5.447 193 HE2 TYR 26 HE1 TYR 26 5.495 7.223 -7.843 194 HH TYR 26 HH TYR 26 7.281 5.600 -8.491 195 H LEU 27 H LEU 27 3.705 5.705 -0.351 196 HA LEU 27 HA LEU 27 2.788 7.847 1.309 197 HB2 LEU 27 1HB LEU 27 2.172 5.507 1.721 198 HB3 LEU 27 2HB LEU 27 3.852 5.092 1.972 199 HG LEU 27 HG LEU 27 3.853 6.595 3.977 200 HD11 LEU 27 1HD1 LEU 27 1.980 8.023 3.386 201 HD12 LEU 27 2HD1 LEU 27 1.688 7.223 4.933 202 HD13 LEU 27 3HD1 LEU 27 0.883 6.645 3.474 203 HD21 LEU 27 3HD2 LEU 27 1.872 4.323 3.960 204 HD22 LEU 27 1HD2 LEU 27 2.628 5.018 5.395 205 HD23 LEU 27 2HD2 LEU 27 3.615 4.187 4.191 206 H SER 28 H SER 28 4.074 9.425 2.022 207 HA SER 28 HA SER 28 6.944 8.823 2.310 208 HB2 SER 28 1HB SER 28 6.288 10.252 0.305 209 HB3 SER 28 2HB SER 28 5.828 11.500 1.463 210 HG SER 28 HG SER 28 8.399 10.290 1.363 211 H GLY 29 H GLY 29 8.090 10.126 3.855 212 HA2 GLY 29 1HA GLY 29 6.803 11.843 5.680 213 HA3 GLY 29 2HA GLY 29 6.854 10.215 6.343 214 H LEU 30 H LEU 30 8.185 11.075 8.015 215 HA LEU 30 HA LEU 30 10.883 11.878 7.181 216 HB2 LEU 30 1HB LEU 30 9.607 11.976 9.916 217 HB3 LEU 30 2HB LEU 30 11.171 12.640 9.481 218 HG LEU 30 HG LEU 30 8.506 13.588 8.425 219 HD11 LEU 30 1HD1 LEU 30 10.426 14.867 10.362 220 HD12 LEU 30 2HD1 LEU 30 8.857 14.168 10.763 221 HD13 LEU 30 3HD1 LEU 30 8.948 15.595 9.731 222 HD21 LEU 30 3HD2 LEU 30 11.287 14.666 7.971 223 HD22 LEU 30 1HD2 LEU 30 9.787 15.408 7.415 224 HD23 LEU 30 2HD2 LEU 30 10.285 13.842 6.776 225 H PHE 31 H PHE 31 12.727 10.966 8.392 226 HA PHE 31 HA PHE 31 12.642 8.137 8.338 227 HB2 PHE 31 1HB PHE 31 14.694 9.454 7.903 228 HB3 PHE 31 2HB PHE 31 14.723 9.946 9.593 229 HD1 PHE 31 HD2 PHE 31 14.929 6.997 7.359 230 HD2 PHE 31 HD1 PHE 31 15.742 8.603 11.216 231 HE1 PHE 31 HE2 PHE 31 16.242 4.992 7.914 232 HE2 PHE 31 HE1 PHE 31 17.056 6.600 11.776 233 HZ PHE 31 HZ PHE 31 17.305 4.790 10.125 234 H ASN 32 H ASN 32 12.330 6.655 9.901 235 HA ASN 32 HA ASN 32 11.910 5.694 11.922 236 HB2 ASN 32 1HB ASN 32 13.902 7.023 12.700 237 HB3 ASN 32 2HB ASN 32 12.792 8.293 13.203 238 HD21 ASN 32 2HD2 ASN 32 13.197 8.193 15.358 239 HD22 ASN 32 1HD2 ASN 32 12.795 6.824 16.347 240 H GLU 33 H GLU 33 10.087 7.739 10.469 241 HA GLU 33 HA GLU 33 8.269 8.427 12.636 242 HB2 GLU 33 1HB GLU 33 8.548 10.107 10.946 243 HB3 GLU 33 2HB GLU 33 8.212 8.959 9.663 244 HG2 GLU 33 1HG GLU 33 5.906 8.791 10.379 245 HG3 GLU 33 2HG GLU 33 6.230 9.872 11.734 246 H ALA 34 H ALA 34 6.662 7.157 13.264 247 HA ALA 34 HA ALA 34 6.153 4.666 11.934 248 HB1 ALA 34 3HB ALA 34 6.114 4.834 14.377 249 HB2 ALA 34 1HB ALA 34 4.575 4.251 13.745 250 HB3 ALA 34 2HB ALA 34 4.731 5.924 14.279 251 H TYR 35 H TYR 35 4.774 4.361 10.331 252 HA TYR 35 HA TYR 35 2.856 6.506 9.757 253 HB2 TYR 35 1HB TYR 35 2.878 5.618 7.436 254 HB3 TYR 35 2HB TYR 35 4.454 6.175 7.986 255 HD1 TYR 35 HD1 TYR 35 2.437 3.217 7.143 256 HD2 TYR 35 HD2 TYR 35 6.290 4.636 8.256 257 HE1 TYR 35 HE1 TYR 35 3.407 1.050 6.523 258 HE2 TYR 35 HE2 TYR 35 7.270 2.469 7.640 259 HH TYR 35 HH TYR 35 5.711 0.201 5.796 260 H ASN 36 H ASN 36 0.900 5.805 8.550 261 HA ASN 36 HA ASN 36 -0.112 3.173 9.401 262 HB2 ASN 36 1HB ASN 36 -0.995 5.144 10.797 263 HB3 ASN 36 2HB ASN 36 -1.809 5.676 9.331 264 HD21 ASN 36 2HD2 ASN 36 -2.970 4.897 11.841 265 HD22 ASN 36 1HD2 ASN 36 -4.010 3.551 11.520 266 H VAL 37 H VAL 37 -1.129 2.085 7.744 267 HA VAL 37 HA VAL 37 -0.722 3.227 5.135 268 HB VAL 37 HB VAL 37 -1.386 1.056 4.242 269 HG11 VAL 37 1HG1 VAL 37 0.911 1.379 4.957 270 HG12 VAL 37 2HG1 VAL 37 0.400 -0.287 5.226 271 HG13 VAL 37 3HG1 VAL 37 0.494 0.837 6.583 272 HG21 VAL 37 3HG2 VAL 37 -1.930 -0.814 5.744 273 HG22 VAL 37 1HG2 VAL 37 -3.152 0.458 5.793 274 HG23 VAL 37 2HG2 VAL 37 -1.980 0.311 7.101 275 HA PRO 38 HA PRO 38 -4.869 4.807 4.800 276 HB2 PRO 38 1HB PRO 38 -4.642 5.678 2.235 277 HB3 PRO 38 2HB PRO 38 -3.965 6.552 3.612 278 HG2 PRO 38 1HG PRO 38 -2.604 4.741 1.663 279 HG3 PRO 38 2HG PRO 38 -2.040 6.272 2.354 280 HD2 PRO 38 1HD PRO 38 -1.206 3.842 3.245 281 HD3 PRO 38 2HD PRO 38 -1.312 5.273 4.289 282 H MET 39 H MET 39 -6.626 3.620 4.433 283 HA MET 39 HA MET 39 -6.495 1.561 2.322 284 HB2 MET 39 1HB MET 39 -8.182 1.598 4.831 285 HB3 MET 39 2HB MET 39 -8.187 0.328 3.617 286 HG2 MET 39 1HG MET 39 -5.821 -0.125 4.114 287 HG3 MET 39 2HG MET 39 -5.873 1.104 5.377 288 HE1 MET 39 3HE MET 39 -5.032 -0.557 7.228 289 HE2 MET 39 1HE MET 39 -4.868 -1.808 5.996 290 HE3 MET 39 2HE MET 39 -5.720 -2.158 7.500 291 H LYS 40 H LYS 40 -8.315 1.211 1.011 292 HA LYS 40 HA LYS 40 -10.360 3.335 1.085 293 HB2 LYS 40 1HB LYS 40 -9.115 2.117 -1.390 294 HB3 LYS 40 2HB LYS 40 -10.405 3.309 -1.372 295 HG2 LYS 40 1HG LYS 40 -8.862 4.911 -0.304 296 HG3 LYS 40 2HG LYS 40 -7.572 3.713 -0.440 297 HD2 LYS 40 1HD LYS 40 -7.893 3.691 -2.888 298 HD3 LYS 40 2HD LYS 40 -9.119 4.948 -2.718 299 HE2 LYS 40 1HE LYS 40 -6.206 5.173 -1.974 300 HE3 LYS 40 2HE LYS 40 -6.987 5.915 -3.368 301 HZ1 LYS 40 3HZ LYS 40 -6.718 7.509 -1.589 302 HZ2 LYS 40 1HZ LYS 40 -7.571 6.510 -0.518 303 HZ3 LYS 40 2HZ LYS 40 -8.367 7.206 -1.840 304 H LYS 41 H LYS 41 -12.452 2.677 0.722 305 HA LYS 41 HA LYS 41 -12.872 -0.213 0.489 306 HB2 LYS 41 1HB LYS 41 -14.019 0.987 2.333 307 HB3 LYS 41 2HB LYS 41 -14.861 1.972 1.147 308 HG2 LYS 41 1HG LYS 41 -16.047 0.069 0.312 309 HG3 LYS 41 2HG LYS 41 -15.090 -1.024 1.310 310 HD2 LYS 41 1HD LYS 41 -17.154 -0.787 2.426 311 HD3 LYS 41 2HD LYS 41 -16.015 0.218 3.317 312 HE2 LYS 41 1HE LYS 41 -17.865 1.293 1.195 313 HE3 LYS 41 2HE LYS 41 -18.295 1.220 2.901 314 HZ1 LYS 41 3HZ LYS 41 -16.134 2.817 1.644 315 HZ2 LYS 41 1HZ LYS 41 -16.252 2.587 3.322 316 HZ3 LYS 41 2HZ LYS 41 -17.495 3.379 2.480 317 H ILE 42 H ILE 42 -12.555 -0.589 -1.653 318 HA ILE 42 HA ILE 42 -14.011 1.069 -3.584 319 HB ILE 42 HB ILE 42 -11.750 -0.878 -4.079 320 HG12 ILE 42 1HG1 ILE 42 -11.712 2.149 -3.999 321 HG13 ILE 42 2HG1 ILE 42 -11.068 1.098 -2.742 322 HG21 ILE 42 1HG2 ILE 42 -13.191 -0.607 -6.016 323 HG22 ILE 42 2HG2 ILE 42 -11.635 0.176 -6.293 324 HG23 ILE 42 3HG2 ILE 42 -13.052 1.147 -5.896 325 HD11 ILE 42 3HD1 ILE 42 -10.080 1.271 -5.581 326 HD12 ILE 42 1HD1 ILE 42 -9.434 0.213 -4.327 327 HD13 ILE 42 2HD1 ILE 42 -9.300 1.963 -4.159 328 H LYS 43 H LYS 43 -15.813 0.295 -4.415 329 HA LYS 43 HA LYS 43 -17.374 -1.084 -5.309 330 HB2 LYS 43 1HB LYS 43 -14.976 -2.863 -5.769 331 HB3 LYS 43 2HB LYS 43 -16.562 -3.121 -6.482 332 HG2 LYS 43 1HG LYS 43 -16.384 -0.942 -7.609 333 HG3 LYS 43 2HG LYS 43 -14.766 -0.749 -6.934 334 HD2 LYS 43 1HD LYS 43 -13.987 -2.692 -8.137 335 HD3 LYS 43 2HD LYS 43 -15.620 -3.025 -8.719 336 HE2 LYS 43 1HE LYS 43 -13.894 -0.647 -9.394 337 HE3 LYS 43 2HE LYS 43 -14.371 -1.957 -10.476 338 HZ1 LYS 43 3HZ LYS 43 -16.724 -1.236 -10.058 339 HZ2 LYS 43 1HZ LYS 43 -15.781 -0.133 -10.937 340 HZ3 LYS 43 2HZ LYS 43 -16.098 0.146 -9.299 341 H GLY 44 H GLY 44 -16.846 -1.290 -2.444 342 HA2 GLY 44 1HA GLY 44 -17.675 -2.526 -0.697 343 HA3 GLY 44 2HA GLY 44 -18.443 -3.569 -1.885 344 H TYR 45 H TYR 45 -15.002 -2.881 -1.425 345 HA TYR 45 HA TYR 45 -14.534 -5.740 -1.071 346 HB2 TYR 45 1HB TYR 45 -12.695 -3.422 -1.647 347 HB3 TYR 45 2HB TYR 45 -12.081 -5.000 -1.175 348 HD1 TYR 45 HD1 TYR 45 -14.845 -5.900 -2.930 349 HD2 TYR 45 HD2 TYR 45 -11.067 -4.062 -3.598 350 HE1 TYR 45 HE1 TYR 45 -14.910 -6.629 -5.277 351 HE2 TYR 45 HE2 TYR 45 -11.123 -4.784 -5.945 352 HH TYR 45 HH TYR 45 -12.187 -6.545 -7.300 353 H THR 46 H THR 46 -13.015 -6.433 0.570 354 HA THR 46 HA THR 46 -12.632 -4.616 2.832 355 HB THR 46 HB THR 46 -13.761 -7.421 3.028 356 HG1 THR 46 HG1 THR 46 -14.869 -4.972 2.943 357 HG21 THR 46 3HG2 THR 46 -12.105 -7.052 4.796 358 HG22 THR 46 1HG2 THR 46 -13.740 -7.106 5.456 359 HG23 THR 46 2HG2 THR 46 -12.922 -5.556 5.253 360 H LEU 47 H LEU 47 -10.647 -4.902 3.821 361 HA LEU 47 HA LEU 47 -8.559 -5.872 2.311 362 HB2 LEU 47 1HB LEU 47 -8.319 -4.310 4.206 363 HB3 LEU 47 2HB LEU 47 -8.632 -5.629 5.318 364 HG LEU 47 HG LEU 47 -6.576 -6.762 4.455 365 HD11 LEU 47 1HD1 LEU 47 -6.147 -4.119 3.073 366 HD12 LEU 47 2HD1 LEU 47 -6.433 -5.673 2.289 367 HD13 LEU 47 3HD1 LEU 47 -4.955 -5.412 3.215 368 HD21 LEU 47 3HD2 LEU 47 -6.533 -5.505 6.533 369 HD22 LEU 47 1HD2 LEU 47 -6.216 -4.015 5.643 370 HD23 LEU 47 2HD2 LEU 47 -5.015 -5.306 5.657 371 H LEU 48 H LEU 48 -7.842 -7.817 1.822 372 HA LEU 48 HA LEU 48 -8.880 -10.192 3.018 373 HB2 LEU 48 1HB LEU 48 -8.152 -10.129 0.674 374 HB3 LEU 48 2HB LEU 48 -6.518 -9.755 1.179 375 HG LEU 48 HG LEU 48 -6.386 -11.973 2.284 376 HD11 LEU 48 1HD1 LEU 48 -8.075 -13.658 1.764 377 HD12 LEU 48 2HD1 LEU 48 -9.052 -12.430 0.957 378 HD13 LEU 48 3HD1 LEU 48 -8.758 -12.323 2.692 379 HD21 LEU 48 3HD2 LEU 48 -6.199 -13.268 0.218 380 HD22 LEU 48 1HD2 LEU 48 -5.512 -11.654 0.036 381 HD23 LEU 48 2HD2 LEU 48 -7.098 -12.020 -0.645 382 H LYS 49 H LYS 49 -5.679 -8.729 2.887 383 HA LYS 49 HA LYS 49 -4.866 -8.866 5.483 384 HB2 LYS 49 1HB LYS 49 -5.272 -11.306 5.410 385 HB3 LYS 49 2HB LYS 49 -4.182 -11.447 4.038 386 HG2 LYS 49 1HG LYS 49 -2.337 -10.642 5.466 387 HG3 LYS 49 2HG LYS 49 -3.448 -10.622 6.836 388 HD2 LYS 49 1HD LYS 49 -3.800 -13.017 6.611 389 HD3 LYS 49 2HD LYS 49 -2.748 -13.055 5.194 390 HE2 LYS 49 1HE LYS 49 -1.909 -12.239 7.974 391 HE3 LYS 49 2HE LYS 49 -1.607 -13.813 7.243 392 HZ1 LYS 49 3HZ LYS 49 0.284 -12.212 7.141 393 HZ2 LYS 49 1HZ LYS 49 -0.631 -11.265 6.073 394 HZ3 LYS 49 2HZ LYS 49 -0.181 -12.842 5.638 395 H TYR 50 H TYR 50 -2.877 -7.873 5.571 396 HA TYR 50 HA TYR 50 -1.412 -7.679 3.056 397 HB2 TYR 50 1HB TYR 50 0.127 -6.167 4.558 398 HB3 TYR 50 2HB TYR 50 -1.394 -5.552 3.933 399 HD1 TYR 50 HD1 TYR 50 0.183 -7.015 6.963 400 HD2 TYR 50 HD2 TYR 50 -3.028 -4.730 5.367 401 HE1 TYR 50 HE1 TYR 50 -0.501 -6.391 9.239 402 HE2 TYR 50 HE2 TYR 50 -3.721 -4.103 7.637 403 HH TYR 50 HH TYR 50 -3.474 -5.024 9.962 404 H ASP 51 H ASP 51 1.101 -7.734 3.428 405 HA ASP 51 HA ASP 51 1.706 -10.400 3.464 406 HB2 ASP 51 1HB ASP 51 3.409 -7.966 3.816 407 HB3 ASP 51 2HB ASP 51 4.131 -9.569 3.913 408 H SER 52 H SER 52 2.430 -8.172 6.161 409 HA SER 52 HA SER 52 2.066 -10.429 7.973 410 HB2 SER 52 1HB SER 52 4.146 -9.480 9.242 411 HB3 SER 52 2HB SER 52 4.385 -10.552 7.862 412 HG SER 52 HG SER 52 5.194 -8.961 6.736 413 H GLU 53 H GLU 53 3.439 -7.259 8.631 414 HA GLU 53 HA GLU 53 0.874 -6.298 9.633 415 HB2 GLU 53 1HB GLU 53 3.387 -6.464 11.297 416 HB3 GLU 53 2HB GLU 53 2.070 -5.365 11.677 417 HG2 GLU 53 1HG GLU 53 0.566 -7.394 11.733 418 HG3 GLU 53 2HG GLU 53 2.037 -8.366 11.677 419 H ILE 54 H ILE 54 0.996 -3.944 10.161 420 HA ILE 54 HA ILE 54 2.764 -2.624 8.204 421 HB ILE 54 HB ILE 54 1.094 -0.780 8.225 422 HG12 ILE 54 1HG1 ILE 54 -0.439 -2.698 10.000 423 HG13 ILE 54 2HG1 ILE 54 0.153 -1.103 10.446 424 HG21 ILE 54 1HG2 ILE 54 -0.010 -3.508 7.562 425 HG22 ILE 54 2HG2 ILE 54 1.004 -2.513 6.518 426 HG23 ILE 54 3HG2 ILE 54 -0.620 -1.972 6.943 427 HD11 ILE 54 3HD1 ILE 54 -2.249 -1.119 10.025 428 HD12 ILE 54 1HD1 ILE 54 -1.954 -1.665 8.374 429 HD13 ILE 54 2HD1 ILE 54 -1.393 -0.073 8.893 430 H LEU 55 H LEU 55 3.167 -3.377 11.117 431 HA LEU 55 HA LEU 55 3.437 -0.838 12.467 432 HB2 LEU 55 1HB LEU 55 4.425 -3.574 13.283 433 HB3 LEU 55 2HB LEU 55 4.367 -2.154 14.307 434 HG LEU 55 HG LEU 55 1.952 -3.547 13.145 435 HD11 LEU 55 1HD1 LEU 55 3.078 -4.923 14.808 436 HD12 LEU 55 2HD1 LEU 55 1.551 -4.302 15.436 437 HD13 LEU 55 3HD1 LEU 55 3.075 -3.573 15.943 438 HD21 LEU 55 3HD2 LEU 55 2.173 -1.323 15.172 439 HD22 LEU 55 1HD2 LEU 55 0.684 -2.119 14.665 440 HD23 LEU 55 2HD2 LEU 55 1.605 -1.155 13.511 441 H GLY 56 H GLY 56 4.863 0.200 10.961 442 HA2 GLY 56 1HA GLY 56 7.656 -0.419 11.533 443 HA3 GLY 56 2HA GLY 56 7.168 -0.449 9.845 444 H VAL 57 H VAL 57 9.094 1.241 10.354 445 HA VAL 57 HA VAL 57 7.770 3.875 10.465 446 HB VAL 57 HB VAL 57 9.864 4.830 11.356 447 HG11 VAL 57 1HG1 VAL 57 8.087 4.225 12.903 448 HG12 VAL 57 2HG1 VAL 57 9.668 3.968 13.639 449 HG13 VAL 57 3HG1 VAL 57 8.741 2.593 13.038 450 HG21 VAL 57 3HG2 VAL 57 11.602 3.350 12.264 451 HG22 VAL 57 1HG2 VAL 57 11.447 3.192 10.514 452 HG23 VAL 57 2HG2 VAL 57 10.764 1.959 11.574 453 H PHE 58 H PHE 58 8.780 5.539 9.154 454 HA PHE 58 HA PHE 58 9.463 4.639 6.574 455 HB2 PHE 58 1HB PHE 58 9.688 7.352 7.863 456 HB3 PHE 58 2HB PHE 58 10.129 7.061 6.186 457 HD1 PHE 58 HD2 PHE 58 8.321 6.037 4.675 458 HD2 PHE 58 HD1 PHE 58 7.510 7.879 8.419 459 HE1 PHE 58 HE2 PHE 58 5.985 6.385 3.993 460 HE2 PHE 58 HE1 PHE 58 5.174 8.234 7.745 461 HZ PHE 58 HZ PHE 58 4.408 7.488 5.527 462 H THR 59 H THR 59 11.320 4.182 5.630 463 HA THR 59 HA THR 59 13.828 4.933 6.954 464 HB THR 59 HB THR 59 14.737 2.691 6.119 465 HG1 THR 59 HG1 THR 59 11.946 2.090 6.083 466 HG21 THR 59 3HG2 THR 59 14.357 3.160 8.493 467 HG22 THR 59 1HG2 THR 59 13.968 1.483 8.106 468 HG23 THR 59 2HG2 THR 59 12.674 2.660 8.326 469 H GLU 60 H GLU 60 15.707 4.372 5.295 470 HA GLU 60 HA GLU 60 15.145 6.016 3.003 471 HB2 GLU 60 1HB GLU 60 17.661 4.522 3.764 472 HB3 GLU 60 2HB GLU 60 17.538 5.753 2.516 473 HG2 GLU 60 1HG GLU 60 17.053 7.442 4.155 474 HG3 GLU 60 2HG GLU 60 16.990 6.230 5.436 475 H SER 61 H SER 61 14.758 2.788 3.631 476 HA SER 61 HA SER 61 15.387 1.840 0.959 477 HB2 SER 61 1HB SER 61 14.130 0.377 3.298 478 HB3 SER 61 2HB SER 61 14.751 -0.357 1.819 479 HG SER 61 HG SER 61 16.823 0.647 2.440 480 HA PRO 62 HA PRO 62 11.243 2.696 -0.513 481 HB2 PRO 62 1HB PRO 62 11.946 0.705 -2.582 482 HB3 PRO 62 2HB PRO 62 11.444 2.389 -2.767 483 HG2 PRO 62 1HG PRO 62 13.976 1.630 -3.204 484 HG3 PRO 62 2HG PRO 62 13.588 3.200 -2.476 485 HD2 PRO 62 1HD PRO 62 14.556 0.689 -1.166 486 HD3 PRO 62 2HD PRO 62 14.998 2.378 -0.836 487 H GLN 63 H GLN 63 9.850 1.749 0.874 488 HA GLN 63 HA GLN 63 9.752 -1.128 1.169 489 HB2 GLN 63 1HB GLN 63 8.142 1.097 2.433 490 HB3 GLN 63 2HB GLN 63 7.922 -0.609 2.803 491 HG2 GLN 63 1HG GLN 63 10.132 -0.760 3.710 492 HG3 GLN 63 2HG GLN 63 10.511 0.878 3.181 493 HE21 GLN 63 2HE2 GLN 63 10.525 -0.356 5.858 494 HE22 GLN 63 1HE2 GLN 63 9.498 0.649 6.827 495 H THR 64 H THR 64 8.036 -2.435 0.594 496 HA THR 64 HA THR 64 6.132 -1.238 -1.311 497 HB THR 64 HB THR 64 7.179 -4.076 -1.391 498 HG1 THR 64 HG1 THR 64 8.912 -2.861 -1.969 499 HG21 THR 64 3HG2 THR 64 4.983 -3.755 -2.434 500 HG22 THR 64 1HG2 THR 64 6.219 -4.082 -3.649 501 HG23 THR 64 2HG2 THR 64 5.634 -2.436 -3.407 502 H ILE 65 H ILE 65 4.240 -1.094 -0.293 503 HA ILE 65 HA ILE 65 3.420 -3.315 1.454 504 HB ILE 65 HB ILE 65 2.239 -0.534 1.346 505 HG12 ILE 65 1HG1 ILE 65 4.149 -1.727 3.372 506 HG13 ILE 65 2HG1 ILE 65 4.586 -0.533 2.154 507 HG21 ILE 65 1HG2 ILE 65 1.871 -2.798 3.308 508 HG22 ILE 65 2HG2 ILE 65 0.684 -2.239 2.129 509 HG23 ILE 65 3HG2 ILE 65 1.170 -1.187 3.459 510 HD11 ILE 65 3HD1 ILE 65 3.055 1.066 3.178 511 HD12 ILE 65 1HD1 ILE 65 4.269 0.497 4.324 512 HD13 ILE 65 2HD1 ILE 65 2.623 -0.132 4.398 513 H ASN 66 H ASN 66 2.421 -4.735 0.188 514 HA ASN 66 HA ASN 66 0.617 -3.864 -1.902 515 HB2 ASN 66 1HB ASN 66 1.377 -6.641 -0.965 516 HB3 ASN 66 2HB ASN 66 0.339 -6.296 -2.344 517 HD21 ASN 66 2HD2 ASN 66 2.900 -7.695 -2.201 518 HD22 ASN 66 1HD2 ASN 66 3.973 -6.845 -3.270 519 H ILE 67 H ILE 67 -1.120 -2.941 -0.946 520 HA ILE 67 HA ILE 67 -2.526 -4.240 1.213 521 HB ILE 67 HB ILE 67 -3.322 -1.853 -0.472 522 HG12 ILE 67 1HG1 ILE 67 -1.281 -1.477 0.865 523 HG13 ILE 67 2HG1 ILE 67 -2.630 -0.503 1.441 524 HG21 ILE 67 1HG2 ILE 67 -4.501 -2.895 2.100 525 HG22 ILE 67 2HG2 ILE 67 -5.262 -2.939 0.510 526 HG23 ILE 67 3HG2 ILE 67 -4.953 -1.392 1.297 527 HD11 ILE 67 3HD1 ILE 67 -1.358 -1.432 3.287 528 HD12 ILE 67 1HD1 ILE 67 -1.647 -3.064 2.683 529 HD13 ILE 67 2HD1 ILE 67 -2.995 -2.086 3.262 530 H ILE 68 H ILE 68 -3.273 -6.168 0.534 531 HA ILE 68 HA ILE 68 -4.692 -6.350 -2.011 532 HB ILE 68 HB ILE 68 -3.852 -8.535 -0.093 533 HG12 ILE 68 1HG1 ILE 68 -2.664 -7.820 -2.774 534 HG13 ILE 68 2HG1 ILE 68 -2.030 -7.196 -1.254 535 HG21 ILE 68 1HG2 ILE 68 -4.937 -8.701 -2.907 536 HG22 ILE 68 2HG2 ILE 68 -5.788 -9.176 -1.437 537 HG23 ILE 68 3HG2 ILE 68 -4.351 -10.061 -1.947 538 HD11 ILE 68 3HD1 ILE 68 -0.752 -9.101 -2.059 539 HD12 ILE 68 1HD1 ILE 68 -2.204 -10.099 -2.023 540 HD13 ILE 68 2HD1 ILE 68 -1.537 -9.459 -0.520 541 H TYR 69 H TYR 69 -6.773 -5.950 -1.973 542 HA TYR 69 HA TYR 69 -8.316 -6.358 0.444 543 HB2 TYR 69 1HB TYR 69 -9.099 -5.279 -2.272 544 HB3 TYR 69 2HB TYR 69 -10.183 -5.379 -0.888 545 HD1 TYR 69 HD2 TYR 69 -9.046 -4.316 1.339 546 HD2 TYR 69 HD1 TYR 69 -8.190 -3.202 -2.675 547 HE1 TYR 69 HE2 TYR 69 -8.255 -2.129 2.123 548 HE2 TYR 69 HE1 TYR 69 -7.392 -1.008 -1.900 549 HH TYR 69 HH TYR 69 -6.639 -0.358 1.268 550 H GLN 70 H GLN 70 -10.687 -7.174 -0.251 551 HA GLN 70 HA GLN 70 -10.467 -9.612 -1.832 552 HB2 GLN 70 1HB GLN 70 -9.926 -10.282 0.461 553 HB3 GLN 70 2HB GLN 70 -11.384 -9.505 1.051 554 HG2 GLN 70 1HG GLN 70 -12.715 -11.101 -0.304 555 HG3 GLN 70 2HG GLN 70 -11.213 -11.928 -0.720 556 HE21 GLN 70 2HE2 GLN 70 -11.814 -13.841 0.281 557 HE22 GLN 70 1HE2 GLN 70 -11.877 -13.998 2.008 558 H LYS 71 H LYS 71 -12.192 -9.703 -3.140 559 HA LYS 71 HA LYS 71 -14.479 -8.095 -2.858 560 HB2 LYS 71 1HB LYS 71 -13.796 -9.181 -4.992 561 HB3 LYS 71 2HB LYS 71 -14.244 -10.741 -4.313 562 HG2 LYS 71 1HG LYS 71 -16.555 -10.033 -4.137 563 HG3 LYS 71 2HG LYS 71 -16.127 -8.430 -4.737 564 HD2 LYS 71 1HD LYS 71 -15.388 -9.437 -6.852 565 HD3 LYS 71 2HD LYS 71 -15.862 -11.027 -6.248 566 HE2 LYS 71 1HE LYS 71 -18.172 -10.275 -6.057 567 HE3 LYS 71 2HE LYS 71 -17.707 -8.670 -6.618 568 HZ1 LYS 71 3HZ LYS 71 -17.448 -11.173 -8.199 569 HZ2 LYS 71 1HZ LYS 71 -17.076 -9.608 -8.734 570 HZ3 LYS 71 2HZ LYS 71 -18.681 -10.024 -8.382 571 H LYS 72 H LYS 72 -16.200 -8.309 -1.564 572 HA LYS 72 HA LYS 72 -16.062 -10.205 0.540 573 HB2 LYS 72 1HB LYS 72 -18.305 -8.306 -0.165 574 HB3 LYS 72 2HB LYS 72 -18.107 -9.146 1.369 575 HG2 LYS 72 1HG LYS 72 -15.884 -7.976 1.583 576 HG3 LYS 72 2HG LYS 72 -16.371 -6.988 0.208 577 HD2 LYS 72 1HD LYS 72 -17.878 -7.234 2.808 578 HD3 LYS 72 2HD LYS 72 -16.821 -5.895 2.365 579 HE2 LYS 72 1HE LYS 72 -18.283 -5.307 0.523 580 HE3 LYS 72 2HE LYS 72 -19.309 -6.706 0.863 581 HZ1 LYS 72 3HZ LYS 72 -18.888 -4.330 2.595 582 HZ2 LYS 72 1HZ LYS 72 -19.704 -5.727 3.099 583 HZ3 LYS 72 2HZ LYS 72 -20.325 -4.795 1.829 584 H ALA 73 H ALA 73 -17.116 -10.621 -2.529 585 HA ALA 73 HA ALA 73 -18.457 -12.076 -3.641 586 HB1 ALA 73 3HB ALA 73 -16.866 -13.624 -2.605 587 HB2 ALA 73 1HB ALA 73 -18.460 -14.355 -2.797 588 HB3 ALA 73 2HB ALA 73 -17.935 -13.786 -1.212 589 HA PRO 74 HA PRO 74 -22.196 -10.759 -1.276 590 HB2 PRO 74 1HB PRO 74 -23.182 -10.212 -4.001 591 HB3 PRO 74 2HB PRO 74 -23.138 -9.154 -2.588 592 HG2 PRO 74 1HG PRO 74 -21.480 -8.784 -4.663 593 HG3 PRO 74 2HG PRO 74 -20.965 -8.481 -2.993 594 HD2 PRO 74 1HD PRO 74 -20.396 -10.838 -4.754 595 HD3 PRO 74 2HD PRO 74 -19.312 -9.976 -3.639 596 H GLU 75 H GLU 75 -22.683 -12.896 -0.715 597 HA GLU 75 HA GLU 75 -23.760 -14.757 -2.595 598 HB2 GLU 75 1HB GLU 75 -23.968 -14.728 0.426 599 HB3 GLU 75 2HB GLU 75 -24.349 -16.093 -0.615 600 HG2 GLU 75 1HG GLU 75 -21.989 -16.107 -1.373 601 HG3 GLU 75 2HG GLU 75 -21.647 -14.836 -0.200 602 H GLN 76 H GLN 76 -25.885 -15.249 -3.017 603 HA GLN 76 HA GLN 76 -27.718 -13.060 -2.581 604 HB2 GLN 76 1HB GLN 76 -28.151 -15.668 -4.050 605 HB3 GLN 76 2HB GLN 76 -29.186 -14.245 -4.124 606 HG2 GLN 76 1HG GLN 76 -27.298 -12.971 -5.083 607 HG3 GLN 76 2HG GLN 76 -26.347 -14.453 -5.100 608 HE21 GLN 76 2HE2 GLN 76 -27.145 -12.746 -7.294 609 HE22 GLN 76 1HE2 GLN 76 -28.036 -13.751 -8.395 610 H ALA 77 H ALA 77 -26.943 -15.944 -1.047 611 HA ALA 77 HA ALA 77 -29.433 -16.543 0.177 612 HB1 ALA 77 3HB ALA 77 -28.107 -17.837 1.762 613 HB2 ALA 77 1HB ALA 77 -26.633 -17.076 1.165 614 HB3 ALA 77 2HB ALA 77 -27.571 -18.131 0.108 615 H LEU 78 H LEU 78 -26.998 -14.157 0.700 616 HA LEU 78 HA LEU 78 -28.401 -13.207 3.103 617 HB2 LEU 78 1HB LEU 78 -25.626 -12.625 2.064 618 HB3 LEU 78 2HB LEU 78 -26.368 -11.731 3.377 619 HG LEU 78 HG LEU 78 -25.778 -14.692 3.408 620 HD11 LEU 78 1HD1 LEU 78 -23.743 -13.346 3.452 621 HD12 LEU 78 2HD1 LEU 78 -24.035 -14.108 5.015 622 HD13 LEU 78 3HD1 LEU 78 -24.393 -12.396 4.788 623 HD21 LEU 78 3HD2 LEU 78 -26.773 -12.843 5.573 624 HD22 LEU 78 1HD2 LEU 78 -26.347 -14.542 5.779 625 HD23 LEU 78 2HD2 LEU 78 -27.717 -14.093 4.764 626 H GLU 79 H GLU 79 -28.758 -10.886 3.252 627 HA GLU 79 HA GLU 79 -29.068 -9.629 0.601 628 HB2 GLU 79 1HB GLU 79 -30.797 -9.286 3.057 629 HB3 GLU 79 2HB GLU 79 -30.986 -8.397 1.555 630 HG2 GLU 79 1HG GLU 79 -31.463 -10.521 0.398 631 HG3 GLU 79 2HG GLU 79 -31.366 -11.354 1.952 632 H HIS 80 H HIS 80 -29.415 -7.158 0.947 633 HA HIS 80 HA HIS 80 -28.780 -5.117 1.688 634 HB2 HIS 80 1HB HIS 80 -28.176 -6.563 4.277 635 HB3 HIS 80 2HB HIS 80 -28.271 -4.815 4.084 636 HD1 HIS 80 HD1 HIS 80 -30.656 -3.794 3.703 637 HD2 HIS 80 HD2 HIS 80 -30.605 -7.880 4.472 638 HE1 HIS 80 HE1 HIS 80 -33.040 -4.424 4.194 639 HE2 HIS 80 HE2 HIS 80 -33.012 -6.938 4.400 640 H HIS 81 H HIS 81 -26.860 -6.787 0.321 641 HA HIS 81 HA HIS 81 -24.280 -6.198 1.445 642 HB2 HIS 81 1HB HIS 81 -24.992 -6.842 -1.432 643 HB3 HIS 81 2HB HIS 81 -23.380 -6.884 -0.726 644 HD1 HIS 81 HD1 HIS 81 -23.045 -8.758 1.203 645 HD2 HIS 81 HD2 HIS 81 -26.371 -9.178 -1.266 646 HE1 HIS 81 HE1 HIS 81 -23.814 -11.140 1.487 647 HE2 HIS 81 HE2 HIS 81 -25.705 -11.417 -0.158 648 H HIS 82 H HIS 82 -26.499 -4.765 -0.828 649 HA HIS 82 HA HIS 82 -25.063 -2.216 -0.502 650 HB2 HIS 82 1HB HIS 82 -26.748 -3.269 -2.764 651 HB3 HIS 82 2HB HIS 82 -26.588 -1.536 -2.508 652 HD1 HIS 82 HD1 HIS 82 -24.904 -0.595 -4.015 653 HD2 HIS 82 HD2 HIS 82 -23.859 -4.416 -2.758 654 HE1 HIS 82 HE1 HIS 82 -22.693 -1.087 -5.109 655 HE2 HIS 82 HE2 HIS 82 -21.964 -3.284 -4.113 656 H HIS 83 H HIS 83 -25.990 -1.063 1.051 657 HA HIS 83 HA HIS 83 -28.503 -1.752 2.152 658 HB2 HIS 83 1HB HIS 83 -26.657 0.586 2.582 659 HB3 HIS 83 2HB HIS 83 -28.207 0.468 3.409 660 HD1 HIS 83 HD1 HIS 83 -24.777 -1.002 3.342 661 HD2 HIS 83 HD2 HIS 83 -28.358 -1.523 5.387 662 HE1 HIS 83 HE1 HIS 83 -24.231 -2.486 5.299 663 HE2 HIS 83 HE2 HIS 83 -26.370 -2.623 6.624 664 H HIS 84 H HIS 84 -27.496 0.751 -0.110 665 HA HIS 84 HA HIS 84 -30.324 1.524 -0.352 666 HB2 HIS 84 1HB HIS 84 -28.573 3.318 0.155 667 HB3 HIS 84 2HB HIS 84 -27.991 3.064 -1.488 668 HD1 HIS 84 HD1 HIS 84 -30.781 4.562 0.464 669 HD2 HIS 84 HD2 HIS 84 -29.735 3.987 -3.524 670 HE1 HIS 84 HE1 HIS 84 -32.360 6.001 -0.872 671 HE2 HIS 84 HE2 HIS 84 -31.641 5.723 -3.270 672 H HIS 85 H HIS 85 -31.058 -0.028 -1.691 673 HA HIS 85 HA HIS 85 -29.685 -0.645 -4.162 674 HB2 HIS 85 1HB HIS 85 -30.818 -2.455 -2.971 675 HB3 HIS 85 2HB HIS 85 -32.344 -1.584 -3.049 676 HD1 HIS 85 HD1 HIS 85 -29.862 -3.335 -5.315 677 HD2 HIS 85 HD2 HIS 85 -33.821 -2.043 -5.316 678 HE1 HIS 85 HE1 HIS 85 -30.890 -4.279 -7.410 679 HE2 HIS 85 HE2 HIS 85 -33.323 -3.638 -7.297 Start of MODEL 17 1 H1 MET 1 1H MET 1 16.598 21.489 -2.139 2 H2 MET 1 2H MET 1 17.335 20.961 -3.570 3 H3 MET 1 3H MET 1 16.362 22.349 -3.583 4 HA MET 1 HA MET 1 18.661 22.980 -3.655 5 HB2 MET 1 1HB MET 1 17.433 23.478 -0.931 6 HB3 MET 1 2HB MET 1 18.730 24.423 -1.653 7 HG2 MET 1 1HG MET 1 17.252 25.142 -3.432 8 HG3 MET 1 2HG MET 1 15.957 24.139 -2.786 9 HE1 MET 1 3HE MET 1 14.272 26.154 -2.740 10 HE2 MET 1 1HE MET 1 15.520 27.173 -3.460 11 HE3 MET 1 2HE MET 1 14.642 27.727 -2.034 12 H ASP 2 H ASP 2 18.094 21.588 -0.412 13 HA ASP 2 HA ASP 2 20.744 20.419 -0.427 14 HB2 ASP 2 1HB ASP 2 20.032 19.440 1.776 15 HB3 ASP 2 2HB ASP 2 19.951 21.196 1.719 16 H PHE 3 H PHE 3 21.178 18.477 -1.260 17 HA PHE 3 HA PHE 3 19.039 17.176 -2.668 18 HB2 PHE 3 1HB PHE 3 20.958 15.686 -3.499 19 HB3 PHE 3 2HB PHE 3 20.970 17.382 -3.960 20 HD1 PHE 3 HD2 PHE 3 22.628 18.902 -3.067 21 HD2 PHE 3 HD1 PHE 3 22.613 14.788 -1.977 22 HE1 PHE 3 HE2 PHE 3 24.912 19.132 -2.186 23 HE2 PHE 3 HE1 PHE 3 24.900 15.012 -1.096 24 HZ PHE 3 HZ PHE 3 26.050 17.186 -1.199 25 H GLY 4 H GLY 4 18.285 16.758 -0.217 26 HA2 GLY 4 1HA GLY 4 19.207 14.215 0.800 27 HA3 GLY 4 2HA GLY 4 17.820 15.134 1.374 28 H LYS 5 H LYS 5 17.570 12.432 1.149 29 HA LYS 5 HA LYS 5 16.212 11.981 -1.416 30 HB2 LYS 5 1HB LYS 5 17.072 10.010 0.707 31 HB3 LYS 5 2HB LYS 5 16.288 9.589 -0.808 32 HG2 LYS 5 1HG LYS 5 18.203 10.528 -2.033 33 HG3 LYS 5 2HG LYS 5 18.994 10.868 -0.492 34 HD2 LYS 5 1HD LYS 5 18.139 8.132 -1.432 35 HD3 LYS 5 2HD LYS 5 19.781 8.769 -1.536 36 HE2 LYS 5 1HE LYS 5 19.893 8.951 0.880 37 HE3 LYS 5 2HE LYS 5 18.218 8.417 1.022 38 HZ1 LYS 5 3HZ LYS 5 20.357 6.769 -0.207 39 HZ2 LYS 5 1HZ LYS 5 18.793 6.277 0.229 40 HZ3 LYS 5 2HZ LYS 5 19.930 6.663 1.430 41 HA PRO 6 HA PRO 6 12.348 12.275 0.862 42 HB2 PRO 6 1HB PRO 6 10.747 11.893 -1.297 43 HB3 PRO 6 2HB PRO 6 11.496 13.449 -0.925 44 HG2 PRO 6 1HG PRO 6 12.325 11.372 -2.907 45 HG3 PRO 6 2HG PRO 6 12.329 13.138 -3.065 46 HD2 PRO 6 1HD PRO 6 14.565 11.671 -2.526 47 HD3 PRO 6 2HD PRO 6 14.345 13.350 -1.996 48 H ASN 7 H ASN 7 12.367 10.422 2.066 49 HA ASN 7 HA ASN 7 12.372 7.812 0.890 50 HB2 ASN 7 1HB ASN 7 11.795 8.665 3.738 51 HB3 ASN 7 2HB ASN 7 12.041 7.005 3.207 52 HD21 ASN 7 2HD2 ASN 7 13.541 10.041 3.905 53 HD22 ASN 7 1HD2 ASN 7 15.174 9.488 3.823 54 H GLN 8 H GLN 8 10.675 7.086 -0.189 55 HA GLN 8 HA GLN 8 8.009 7.606 0.929 56 HB2 GLN 8 1HB GLN 8 7.129 7.590 -1.374 57 HB3 GLN 8 2HB GLN 8 8.280 8.891 -1.106 58 HG2 GLN 8 1HG GLN 8 10.013 7.595 -2.236 59 HG3 GLN 8 2HG GLN 8 8.860 6.286 -2.501 60 HE21 GLN 8 2HE2 GLN 8 9.034 6.405 -4.727 61 HE22 GLN 8 1HE2 GLN 8 8.360 7.712 -5.645 62 H VAL 9 H VAL 9 6.687 5.949 1.189 63 HA VAL 9 HA VAL 9 7.654 3.276 0.476 64 HB VAL 9 HB VAL 9 5.396 4.095 2.321 65 HG11 VAL 9 1HG1 VAL 9 5.019 1.894 1.362 66 HG12 VAL 9 2HG1 VAL 9 5.438 1.758 3.069 67 HG13 VAL 9 3HG1 VAL 9 6.642 1.392 1.834 68 HG21 VAL 9 3HG2 VAL 9 8.177 3.115 2.956 69 HG22 VAL 9 1HG2 VAL 9 6.898 3.411 4.134 70 HG23 VAL 9 2HG2 VAL 9 7.567 4.751 3.205 71 H THR 10 H THR 10 6.637 2.061 -1.033 72 HA THR 10 HA THR 10 4.525 3.396 -2.542 73 HB THR 10 HB THR 10 6.052 0.883 -3.253 74 HG1 THR 10 HG1 THR 10 7.072 3.211 -3.024 75 HG21 THR 10 3HG2 THR 10 5.309 1.388 -5.538 76 HG22 THR 10 1HG2 THR 10 4.399 2.775 -4.937 77 HG23 THR 10 2HG2 THR 10 3.935 1.140 -4.461 78 H VAL 11 H VAL 11 2.575 3.032 -1.692 79 HA VAL 11 HA VAL 11 1.862 0.341 -0.773 80 HB VAL 11 HB VAL 11 0.262 2.908 -0.625 81 HG11 VAL 11 1HG1 VAL 11 -0.161 0.248 0.733 82 HG12 VAL 11 2HG1 VAL 11 -1.136 0.913 -0.577 83 HG13 VAL 11 3HG1 VAL 11 -1.119 1.706 0.998 84 HG21 VAL 11 3HG2 VAL 11 0.878 2.949 1.747 85 HG22 VAL 11 1HG2 VAL 11 2.296 3.070 0.703 86 HG23 VAL 11 2HG2 VAL 11 1.914 1.544 1.499 87 H ASN 12 H ASN 12 0.595 -0.984 -1.955 88 HA ASN 12 HA ASN 12 -0.794 0.176 -4.282 89 HB2 ASN 12 1HB ASN 12 1.337 -1.143 -4.821 90 HB3 ASN 12 2HB ASN 12 0.457 -2.572 -4.292 91 HD21 ASN 12 2HD2 ASN 12 1.536 -1.964 -6.905 92 HD22 ASN 12 1HD2 ASN 12 0.206 -1.997 -8.006 93 H TYR 13 H TYR 13 -2.863 -0.360 -4.473 94 HA TYR 13 HA TYR 13 -4.008 -2.201 -2.512 95 HB2 TYR 13 1HB TYR 13 -5.399 -0.292 -4.409 96 HB3 TYR 13 2HB TYR 13 -6.157 -1.197 -3.106 97 HD1 TYR 13 HD2 TYR 13 -3.645 1.462 -3.783 98 HD2 TYR 13 HD1 TYR 13 -6.285 -0.290 -0.945 99 HE1 TYR 13 HE2 TYR 13 -3.234 3.338 -2.250 100 HE2 TYR 13 HE1 TYR 13 -5.881 1.580 0.595 101 HH TYR 13 HH TYR 13 -4.236 3.286 1.031 102 H LEU 14 H LEU 14 -4.145 -4.248 -3.165 103 HA LEU 14 HA LEU 14 -4.439 -4.778 -6.041 104 HB2 LEU 14 1HB LEU 14 -3.450 -6.595 -3.847 105 HB3 LEU 14 2HB LEU 14 -3.492 -6.971 -5.557 106 HG LEU 14 HG LEU 14 -1.819 -4.810 -4.292 107 HD11 LEU 14 1HD1 LEU 14 0.074 -6.260 -4.830 108 HD12 LEU 14 2HD1 LEU 14 -1.043 -7.501 -5.401 109 HD13 LEU 14 3HD1 LEU 14 -1.037 -7.035 -3.700 110 HD21 LEU 14 3HD2 LEU 14 -1.922 -5.819 -7.128 111 HD22 LEU 14 1HD2 LEU 14 -0.751 -4.663 -6.493 112 HD23 LEU 14 2HD2 LEU 14 -2.461 -4.239 -6.561 113 H ASP 15 H ASP 15 -6.010 -6.060 -6.811 114 HA ASP 15 HA ASP 15 -8.120 -6.870 -4.936 115 HB2 ASP 15 1HB ASP 15 -8.921 -5.431 -6.703 116 HB3 ASP 15 2HB ASP 15 -8.174 -6.450 -7.929 117 H GLU 16 H GLU 16 -7.135 -8.732 -4.199 118 HA GLU 16 HA GLU 16 -6.984 -10.971 -4.014 119 HB2 GLU 16 1HB GLU 16 -9.230 -10.984 -4.964 120 HB3 GLU 16 2HB GLU 16 -8.559 -10.999 -6.589 121 HG2 GLU 16 1HG GLU 16 -7.529 -13.178 -6.121 122 HG3 GLU 16 2HG GLU 16 -8.261 -13.162 -4.518 123 H ASN 17 H ASN 17 -6.798 -10.703 -7.559 124 HA ASN 17 HA ASN 17 -4.614 -12.607 -7.568 125 HB2 ASN 17 1HB ASN 17 -4.901 -12.626 -9.976 126 HB3 ASN 17 2HB ASN 17 -6.478 -12.730 -9.208 127 HD21 ASN 17 2HD2 ASN 17 -4.353 -10.833 -11.138 128 HD22 ASN 17 1HD2 ASN 17 -5.502 -9.614 -11.574 129 H ASN 18 H ASN 18 -4.327 -9.780 -6.584 130 HA ASN 18 HA ASN 18 -2.658 -8.260 -6.453 131 HB2 ASN 18 1HB ASN 18 -1.306 -9.939 -8.577 132 HB3 ASN 18 2HB ASN 18 -0.565 -8.549 -7.791 133 HD21 ASN 18 2HD2 ASN 18 0.270 -11.333 -7.823 134 HD22 ASN 18 1HD2 ASN 18 0.345 -11.829 -6.167 135 H THR 19 H THR 19 -4.926 -8.283 -8.440 136 HA THR 19 HA THR 19 -4.158 -6.663 -10.629 137 HB THR 19 HB THR 19 -6.792 -7.191 -9.257 138 HG1 THR 19 HG1 THR 19 -7.125 -8.486 -10.930 139 HG21 THR 19 3HG2 THR 19 -7.921 -5.948 -11.024 140 HG22 THR 19 1HG2 THR 19 -6.363 -5.419 -11.659 141 HG23 THR 19 2HG2 THR 19 -6.893 -4.886 -10.063 142 H SER 20 H SER 20 -3.312 -4.678 -10.460 143 HA SER 20 HA SER 20 -3.597 -3.105 -8.087 144 HB2 SER 20 1HB SER 20 -2.478 -2.288 -10.779 145 HB3 SER 20 2HB SER 20 -2.212 -1.472 -9.238 146 HG SER 20 HG SER 20 -1.538 -3.990 -8.875 147 H ILE 21 H ILE 21 -5.705 -2.607 -7.759 148 HA ILE 21 HA ILE 21 -7.324 -1.582 -9.934 149 HB ILE 21 HB ILE 21 -8.410 -3.153 -8.521 150 HG12 ILE 21 1HG1 ILE 21 -9.445 -0.414 -7.761 151 HG13 ILE 21 2HG1 ILE 21 -9.799 -1.247 -9.271 152 HG21 ILE 21 1HG2 ILE 21 -7.641 -1.405 -6.192 153 HG22 ILE 21 2HG2 ILE 21 -7.028 -3.019 -6.563 154 HG23 ILE 21 3HG2 ILE 21 -8.716 -2.802 -6.099 155 HD11 ILE 21 3HD1 ILE 21 -10.921 -3.019 -8.035 156 HD12 ILE 21 1HD1 ILE 21 -11.635 -1.444 -7.694 157 HD13 ILE 21 2HD1 ILE 21 -10.556 -2.196 -6.519 158 H ALA 22 H ALA 22 -5.593 -0.375 -7.184 159 HA ALA 22 HA ALA 22 -6.622 2.326 -7.759 160 HB1 ALA 22 3HB ALA 22 -6.065 2.947 -5.492 161 HB2 ALA 22 1HB ALA 22 -5.371 1.355 -5.193 162 HB3 ALA 22 2HB ALA 22 -7.105 1.523 -5.471 163 HA PRO 23 HA PRO 23 -2.597 3.523 -9.144 164 HB2 PRO 23 1HB PRO 23 -2.987 6.085 -7.726 165 HB3 PRO 23 2HB PRO 23 -2.749 5.782 -9.450 166 HG2 PRO 23 1HG PRO 23 -5.132 6.526 -8.482 167 HG3 PRO 23 2HG PRO 23 -4.993 5.377 -9.826 168 HD2 PRO 23 1HD PRO 23 -5.555 4.853 -6.930 169 HD3 PRO 23 2HD PRO 23 -6.273 4.102 -8.371 170 H SER 24 H SER 24 -0.561 3.392 -8.405 171 HA SER 24 HA SER 24 0.053 2.494 -5.876 172 HB2 SER 24 1HB SER 24 2.422 3.117 -6.462 173 HB3 SER 24 2HB SER 24 1.587 2.182 -7.704 174 HG SER 24 HG SER 24 1.425 4.968 -7.847 175 H LEU 25 H LEU 25 0.045 3.424 -3.952 176 HA LEU 25 HA LEU 25 -0.078 6.325 -3.775 177 HB2 LEU 25 1HB LEU 25 -1.712 5.038 -2.516 178 HB3 LEU 25 2HB LEU 25 -0.432 4.167 -1.695 179 HG LEU 25 HG LEU 25 0.289 6.291 -0.633 180 HD11 LEU 25 1HD1 LEU 25 -2.213 7.403 -1.893 181 HD12 LEU 25 2HD1 LEU 25 -0.557 7.846 -2.308 182 HD13 LEU 25 3HD1 LEU 25 -1.197 8.225 -0.709 183 HD21 LEU 25 3HD2 LEU 25 -1.558 6.420 0.950 184 HD22 LEU 25 1HD2 LEU 25 -1.200 4.745 0.530 185 HD23 LEU 25 2HD2 LEU 25 -2.598 5.553 -0.182 186 H TYR 26 H TYR 26 1.790 7.342 -3.753 187 HA TYR 26 HA TYR 26 4.124 6.142 -2.519 188 HB2 TYR 26 1HB TYR 26 3.743 8.776 -3.957 189 HB3 TYR 26 2HB TYR 26 5.279 8.230 -3.291 190 HD1 TYR 26 HD1 TYR 26 6.095 5.886 -4.122 191 HD2 TYR 26 HD2 TYR 26 3.223 8.266 -6.166 192 HE1 TYR 26 HE1 TYR 26 6.578 4.669 -6.201 193 HE2 TYR 26 HE2 TYR 26 3.697 7.051 -8.252 194 HH TYR 26 HH TYR 26 5.502 4.157 -8.332 195 H LEU 27 H LEU 27 3.910 6.099 -0.398 196 HA LEU 27 HA LEU 27 2.862 8.366 1.084 197 HB2 LEU 27 1HB LEU 27 2.215 6.089 1.695 198 HB3 LEU 27 2HB LEU 27 3.894 5.662 1.952 199 HG LEU 27 HG LEU 27 3.991 7.236 3.852 200 HD11 LEU 27 1HD1 LEU 27 2.269 8.802 3.132 201 HD12 LEU 27 2HD1 LEU 27 1.923 8.172 4.743 202 HD13 LEU 27 3HD1 LEU 27 1.038 7.558 3.347 203 HD21 LEU 27 3HD2 LEU 27 2.612 5.905 5.369 204 HD22 LEU 27 1HD2 LEU 27 3.489 4.887 4.226 205 HD23 LEU 27 2HD2 LEU 27 1.770 5.204 3.987 206 H SER 28 H SER 28 4.199 10.007 1.522 207 HA SER 28 HA SER 28 7.059 9.423 1.869 208 HB2 SER 28 1HB SER 28 6.622 10.905 0.001 209 HB3 SER 28 2HB SER 28 5.651 11.966 1.019 210 HG SER 28 HG SER 28 7.451 12.677 2.031 211 H GLY 29 H GLY 29 8.219 10.383 3.551 212 HA2 GLY 29 1HA GLY 29 7.004 12.123 5.466 213 HA3 GLY 29 2HA GLY 29 7.106 10.471 6.061 214 H LEU 30 H LEU 30 8.489 11.787 7.663 215 HA LEU 30 HA LEU 30 11.152 12.419 6.711 216 HB2 LEU 30 1HB LEU 30 10.029 12.330 9.515 217 HB3 LEU 30 2HB LEU 30 11.618 12.930 9.082 218 HG LEU 30 HG LEU 30 8.985 14.138 8.229 219 HD11 LEU 30 1HD1 LEU 30 11.076 15.112 10.169 220 HD12 LEU 30 2HD1 LEU 30 9.480 14.491 10.588 221 HD13 LEU 30 3HD1 LEU 30 9.629 15.993 9.677 222 HD21 LEU 30 3HD2 LEU 30 10.350 15.950 7.314 223 HD22 LEU 30 1HD2 LEU 30 10.695 14.416 6.515 224 HD23 LEU 30 2HD2 LEU 30 11.814 15.054 7.721 225 H PHE 31 H PHE 31 13.073 11.465 7.860 226 HA PHE 31 HA PHE 31 13.020 8.635 7.591 227 HB2 PHE 31 1HB PHE 31 15.037 9.994 7.141 228 HB3 PHE 31 2HB PHE 31 15.140 10.390 8.853 229 HD1 PHE 31 HD1 PHE 31 15.233 7.561 6.461 230 HD2 PHE 31 HD2 PHE 31 16.273 8.983 10.336 231 HE1 PHE 31 HE1 PHE 31 16.587 5.541 6.836 232 HE2 PHE 31 HE2 PHE 31 17.629 6.968 10.716 233 HZ PHE 31 HZ PHE 31 17.788 5.242 8.965 234 H ASN 32 H ASN 32 12.808 7.058 9.066 235 HA ASN 32 HA ASN 32 12.450 5.962 11.023 236 HB2 ASN 32 1HB ASN 32 14.460 7.198 11.845 237 HB3 ASN 32 2HB ASN 32 13.399 8.478 12.421 238 HD21 ASN 32 2HD2 ASN 32 13.859 8.275 14.554 239 HD22 ASN 32 1HD2 ASN 32 13.433 6.892 15.502 240 H GLU 33 H GLU 33 10.623 8.210 9.804 241 HA GLU 33 HA GLU 33 8.907 8.823 12.043 242 HB2 GLU 33 1HB GLU 33 9.133 10.448 10.245 243 HB3 GLU 33 2HB GLU 33 8.551 9.278 9.075 244 HG2 GLU 33 1HG GLU 33 6.397 9.222 10.384 245 HG3 GLU 33 2HG GLU 33 7.011 10.612 11.278 246 H ALA 34 H ALA 34 7.354 7.559 12.791 247 HA ALA 34 HA ALA 34 6.645 5.115 11.445 248 HB1 ALA 34 3HB ALA 34 6.772 5.218 13.889 249 HB2 ALA 34 1HB ALA 34 5.166 4.733 13.347 250 HB3 ALA 34 2HB ALA 34 5.446 6.382 13.908 251 H TYR 35 H TYR 35 5.324 5.139 9.751 252 HA TYR 35 HA TYR 35 3.488 7.375 9.441 253 HB2 TYR 35 1HB TYR 35 3.195 6.487 7.121 254 HB3 TYR 35 2HB TYR 35 4.842 6.949 7.522 255 HD1 TYR 35 HD1 TYR 35 2.603 3.977 7.300 256 HD2 TYR 35 HD2 TYR 35 6.590 5.450 7.158 257 HE1 TYR 35 HE1 TYR 35 3.382 1.776 6.544 258 HE2 TYR 35 HE2 TYR 35 7.383 3.250 6.410 259 HH TYR 35 HH TYR 35 6.821 1.066 6.159 260 H ASN 36 H ASN 36 1.326 7.059 8.694 261 HA ASN 36 HA ASN 36 0.077 4.656 9.829 262 HB2 ASN 36 1HB ASN 36 -1.059 7.401 9.230 263 HB3 ASN 36 2HB ASN 36 -2.032 6.030 9.754 264 HD21 ASN 36 2HD2 ASN 36 -1.493 8.647 11.007 265 HD22 ASN 36 1HD2 ASN 36 -0.872 8.283 12.582 266 H VAL 37 H VAL 37 -0.914 3.242 8.508 267 HA VAL 37 HA VAL 37 -0.694 3.737 5.650 268 HB VAL 37 HB VAL 37 -1.524 1.221 7.107 269 HG11 VAL 37 1HG1 VAL 37 -1.070 0.100 4.969 270 HG12 VAL 37 2HG1 VAL 37 -0.769 1.667 4.218 271 HG13 VAL 37 3HG1 VAL 37 -2.377 1.276 4.830 272 HG21 VAL 37 3HG2 VAL 37 0.738 0.421 6.600 273 HG22 VAL 37 1HG2 VAL 37 0.769 1.849 7.636 274 HG23 VAL 37 2HG2 VAL 37 1.137 1.998 5.918 275 HA PRO 38 HA PRO 38 -5.094 4.658 5.571 276 HB2 PRO 38 1HB PRO 38 -4.714 5.429 2.817 277 HB3 PRO 38 2HB PRO 38 -5.034 6.462 4.210 278 HG2 PRO 38 1HG PRO 38 -2.664 6.441 2.831 279 HG3 PRO 38 2HG PRO 38 -2.823 6.929 4.528 280 HD2 PRO 38 1HD PRO 38 -1.888 4.328 3.379 281 HD3 PRO 38 2HD PRO 38 -1.269 5.231 4.779 282 H MET 39 H MET 39 -6.009 2.632 5.578 283 HA MET 39 HA MET 39 -5.894 1.028 3.142 284 HB2 MET 39 1HB MET 39 -7.303 0.481 5.765 285 HB3 MET 39 2HB MET 39 -7.152 -0.648 4.426 286 HG2 MET 39 1HG MET 39 -4.697 -0.584 4.700 287 HG3 MET 39 2HG MET 39 -4.913 0.454 6.108 288 HE1 MET 39 3HE MET 39 -3.862 -2.843 7.846 289 HE2 MET 39 1HE MET 39 -3.619 -1.099 7.740 290 HE3 MET 39 2HE MET 39 -3.217 -2.130 6.366 291 H LYS 40 H LYS 40 -7.210 1.638 1.570 292 HA LYS 40 HA LYS 40 -9.681 3.042 2.192 293 HB2 LYS 40 1HB LYS 40 -8.495 2.392 -0.508 294 HB3 LYS 40 2HB LYS 40 -9.811 3.509 -0.184 295 HG2 LYS 40 1HG LYS 40 -8.246 4.932 1.083 296 HG3 LYS 40 2HG LYS 40 -6.934 3.835 0.637 297 HD2 LYS 40 1HD LYS 40 -7.522 4.235 -1.756 298 HD3 LYS 40 2HD LYS 40 -8.663 5.464 -1.215 299 HE2 LYS 40 1HE LYS 40 -6.803 6.687 -0.157 300 HE3 LYS 40 2HE LYS 40 -5.679 5.472 -0.767 301 HZ1 LYS 40 3HZ LYS 40 -7.346 7.330 -2.371 302 HZ2 LYS 40 1HZ LYS 40 -6.452 6.054 -3.038 303 HZ3 LYS 40 2HZ LYS 40 -5.657 7.324 -2.246 304 H LYS 41 H LYS 41 -11.670 2.194 1.962 305 HA LYS 41 HA LYS 41 -11.871 -0.599 1.178 306 HB2 LYS 41 1HB LYS 41 -13.067 0.312 3.201 307 HB3 LYS 41 2HB LYS 41 -14.075 1.252 2.110 308 HG2 LYS 41 1HG LYS 41 -14.970 -0.759 1.132 309 HG3 LYS 41 2HG LYS 41 -13.872 -1.753 2.092 310 HD2 LYS 41 1HD LYS 41 -14.939 -0.934 4.144 311 HD3 LYS 41 2HD LYS 41 -16.041 0.045 3.177 312 HE2 LYS 41 1HE LYS 41 -17.119 -2.016 3.894 313 HE3 LYS 41 2HE LYS 41 -16.933 -1.981 2.141 314 HZ1 LYS 41 3HZ LYS 41 -15.220 -3.473 4.058 315 HZ2 LYS 41 1HZ LYS 41 -14.963 -3.398 2.383 316 HZ3 LYS 41 2HZ LYS 41 -16.356 -4.143 2.994 317 H ILE 42 H ILE 42 -11.549 -0.599 -0.997 318 HA ILE 42 HA ILE 42 -12.743 1.381 -2.703 319 HB ILE 42 HB ILE 42 -11.234 -1.130 -3.449 320 HG12 ILE 42 1HG1 ILE 42 -10.248 1.722 -3.191 321 HG13 ILE 42 2HG1 ILE 42 -9.929 0.438 -2.030 322 HG21 ILE 42 1HG2 ILE 42 -11.898 1.335 -5.061 323 HG22 ILE 42 2HG2 ILE 42 -12.584 -0.275 -5.283 324 HG23 ILE 42 3HG2 ILE 42 -10.871 0.004 -5.598 325 HD11 ILE 42 3HD1 ILE 42 -9.033 0.469 -4.901 326 HD12 ILE 42 1HD1 ILE 42 -8.694 -0.797 -3.721 327 HD13 ILE 42 2HD1 ILE 42 -8.028 0.821 -3.496 328 H LYS 43 H LYS 43 -14.751 1.297 -3.395 329 HA LYS 43 HA LYS 43 -16.807 0.562 -4.011 330 HB2 LYS 43 1HB LYS 43 -15.121 -1.678 -5.124 331 HB3 LYS 43 2HB LYS 43 -16.845 -1.529 -5.432 332 HG2 LYS 43 1HG LYS 43 -16.420 0.711 -6.418 333 HG3 LYS 43 2HG LYS 43 -14.690 0.419 -6.224 334 HD2 LYS 43 1HD LYS 43 -14.777 -1.456 -7.715 335 HD3 LYS 43 2HD LYS 43 -16.539 -1.384 -7.781 336 HE2 LYS 43 1HE LYS 43 -15.710 -0.416 -9.791 337 HE3 LYS 43 2HE LYS 43 -16.324 0.895 -8.787 338 HZ1 LYS 43 3HZ LYS 43 -14.241 1.527 -9.753 339 HZ2 LYS 43 1HZ LYS 43 -13.477 0.134 -9.162 340 HZ3 LYS 43 2HZ LYS 43 -14.014 1.333 -8.087 341 H GLY 44 H GLY 44 -15.754 -0.215 -1.387 342 HA2 GLY 44 1HA GLY 44 -16.749 -1.219 0.432 343 HA3 GLY 44 2HA GLY 44 -17.930 -1.930 -0.653 344 H TYR 45 H TYR 45 -14.760 -2.606 -1.659 345 HA TYR 45 HA TYR 45 -15.044 -5.364 -1.359 346 HB2 TYR 45 1HB TYR 45 -12.597 -3.664 -1.796 347 HB3 TYR 45 2HB TYR 45 -12.518 -5.420 -1.730 348 HD1 TYR 45 HD2 TYR 45 -15.577 -5.014 -3.119 349 HD2 TYR 45 HD1 TYR 45 -11.500 -4.289 -4.089 350 HE1 TYR 45 HE2 TYR 45 -16.129 -5.136 -5.511 351 HE2 TYR 45 HE1 TYR 45 -12.041 -4.409 -6.481 352 HH TYR 45 HH TYR 45 -13.801 -5.463 -7.909 353 H THR 46 H THR 46 -13.701 -6.846 -0.139 354 HA THR 46 HA THR 46 -13.431 -5.944 2.653 355 HB THR 46 HB THR 46 -13.761 -8.779 1.636 356 HG1 THR 46 HG1 THR 46 -15.720 -6.885 2.476 357 HG21 THR 46 3HG2 THR 46 -12.816 -8.583 3.887 358 HG22 THR 46 1HG2 THR 46 -14.446 -9.257 3.935 359 HG23 THR 46 2HG2 THR 46 -14.177 -7.570 4.371 360 H LEU 47 H LEU 47 -11.491 -6.473 3.784 361 HA LEU 47 HA LEU 47 -9.178 -6.791 2.138 362 HB2 LEU 47 1HB LEU 47 -9.264 -5.552 4.337 363 HB3 LEU 47 2HB LEU 47 -9.316 -7.115 5.129 364 HG LEU 47 HG LEU 47 -7.121 -7.675 4.158 365 HD11 LEU 47 1HD1 LEU 47 -5.797 -5.927 3.081 366 HD12 LEU 47 2HD1 LEU 47 -7.185 -4.840 3.135 367 HD13 LEU 47 3HD1 LEU 47 -7.248 -6.302 2.150 368 HD21 LEU 47 3HD2 LEU 47 -7.223 -6.699 6.378 369 HD22 LEU 47 1HD2 LEU 47 -7.205 -5.078 5.686 370 HD23 LEU 47 2HD2 LEU 47 -5.794 -6.123 5.518 371 H LEU 48 H LEU 48 -8.619 -8.630 1.225 372 HA LEU 48 HA LEU 48 -9.607 -11.168 1.890 373 HB2 LEU 48 1HB LEU 48 -8.765 -10.699 -0.322 374 HB3 LEU 48 2HB LEU 48 -7.179 -10.319 0.312 375 HG LEU 48 HG LEU 48 -6.889 -12.686 0.967 376 HD11 LEU 48 1HD1 LEU 48 -9.226 -13.286 1.271 377 HD12 LEU 48 2HD1 LEU 48 -8.444 -14.368 0.120 378 HD13 LEU 48 3HD1 LEU 48 -9.514 -13.090 -0.457 379 HD21 LEU 48 3HD2 LEU 48 -6.606 -13.567 -1.297 380 HD22 LEU 48 1HD2 LEU 48 -6.041 -11.900 -1.175 381 HD23 LEU 48 2HD2 LEU 48 -7.595 -12.251 -1.932 382 H LYS 49 H LYS 49 -6.373 -9.808 2.373 383 HA LYS 49 HA LYS 49 -5.938 -10.983 4.893 384 HB2 LYS 49 1HB LYS 49 -5.874 -13.079 3.606 385 HB3 LYS 49 2HB LYS 49 -4.639 -12.404 2.552 386 HG2 LYS 49 1HG LYS 49 -3.116 -12.238 4.473 387 HG3 LYS 49 2HG LYS 49 -4.352 -12.967 5.498 388 HD2 LYS 49 1HD LYS 49 -4.313 -14.978 4.086 389 HD3 LYS 49 2HD LYS 49 -3.046 -14.248 3.098 390 HE2 LYS 49 1HE LYS 49 -2.069 -15.783 4.693 391 HE3 LYS 49 2HE LYS 49 -1.597 -14.130 5.083 392 HZ1 LYS 49 3HZ LYS 49 -3.712 -15.721 6.431 393 HZ2 LYS 49 1HZ LYS 49 -3.356 -14.097 6.774 394 HZ3 LYS 49 2HZ LYS 49 -2.199 -15.296 7.076 395 H TYR 50 H TYR 50 -4.490 -9.713 5.816 396 HA TYR 50 HA TYR 50 -2.846 -8.023 4.126 397 HB2 TYR 50 1HB TYR 50 -4.176 -7.365 6.304 398 HB3 TYR 50 2HB TYR 50 -2.716 -7.940 7.110 399 HD1 TYR 50 HD2 TYR 50 -3.871 -5.635 4.448 400 HD2 TYR 50 HD1 TYR 50 -0.876 -6.515 7.329 401 HE1 TYR 50 HE2 TYR 50 -2.792 -3.479 3.970 402 HE2 TYR 50 HE1 TYR 50 0.218 -4.362 6.860 403 HH TYR 50 HH TYR 50 0.336 -2.698 5.109 404 H ASP 51 H ASP 51 -1.273 -9.293 3.300 405 HA ASP 51 HA ASP 51 0.359 -10.949 5.044 406 HB2 ASP 51 1HB ASP 51 -0.337 -11.755 2.797 407 HB3 ASP 51 2HB ASP 51 0.583 -10.446 2.064 408 H SER 52 H SER 52 0.297 -7.782 3.943 409 HA SER 52 HA SER 52 3.168 -7.389 3.948 410 HB2 SER 52 1HB SER 52 2.286 -4.915 3.652 411 HB3 SER 52 2HB SER 52 2.228 -6.060 2.311 412 HG SER 52 HG SER 52 0.167 -5.702 2.293 413 H GLU 53 H GLU 53 3.477 -4.931 5.123 414 HA GLU 53 HA GLU 53 2.909 -5.575 7.941 415 HB2 GLU 53 1HB GLU 53 5.280 -5.893 7.207 416 HB3 GLU 53 2HB GLU 53 5.352 -4.179 6.831 417 HG2 GLU 53 1HG GLU 53 4.951 -3.642 9.175 418 HG3 GLU 53 2HG GLU 53 4.859 -5.362 9.554 419 H ILE 54 H ILE 54 2.661 -3.806 9.391 420 HA ILE 54 HA ILE 54 2.168 -1.178 8.167 421 HB ILE 54 HB ILE 54 0.311 -0.942 9.944 422 HG12 ILE 54 1HG1 ILE 54 0.383 -3.954 9.676 423 HG13 ILE 54 2HG1 ILE 54 0.812 -3.047 11.123 424 HG21 ILE 54 1HG2 ILE 54 -0.110 -0.895 7.569 425 HG22 ILE 54 2HG2 ILE 54 -1.373 -1.807 8.395 426 HG23 ILE 54 3HG2 ILE 54 -0.108 -2.658 7.510 427 HD11 ILE 54 3HD1 ILE 54 -1.480 -2.222 11.278 428 HD12 ILE 54 1HD1 ILE 54 -1.414 -3.984 11.302 429 HD13 ILE 54 2HD1 ILE 54 -1.905 -3.142 9.834 430 H LEU 55 H LEU 55 1.946 0.537 9.900 431 HA LEU 55 HA LEU 55 2.726 1.719 11.668 432 HB2 LEU 55 1HB LEU 55 3.084 -1.004 12.923 433 HB3 LEU 55 2HB LEU 55 3.155 0.523 13.780 434 HG LEU 55 HG LEU 55 0.717 -0.559 12.366 435 HD11 LEU 55 1HD1 LEU 55 1.358 -0.389 15.307 436 HD12 LEU 55 2HD1 LEU 55 1.292 -1.865 14.346 437 HD13 LEU 55 3HD1 LEU 55 -0.173 -0.919 14.608 438 HD21 LEU 55 3HD2 LEU 55 0.776 1.873 12.391 439 HD22 LEU 55 1HD2 LEU 55 1.081 1.861 14.128 440 HD23 LEU 55 2HD2 LEU 55 -0.456 1.269 13.500 441 H GLY 56 H GLY 56 4.536 0.621 9.569 442 HA2 GLY 56 1HA GLY 56 7.067 0.246 10.921 443 HA3 GLY 56 2HA GLY 56 6.800 0.265 9.183 444 H VAL 57 H VAL 57 8.953 1.550 10.257 445 HA VAL 57 HA VAL 57 8.219 4.392 10.161 446 HB VAL 57 HB VAL 57 10.413 4.861 11.171 447 HG11 VAL 57 1HG1 VAL 57 8.477 4.581 12.615 448 HG12 VAL 57 2HG1 VAL 57 9.935 3.982 13.405 449 HG13 VAL 57 3HG1 VAL 57 8.779 2.846 12.708 450 HG21 VAL 57 3HG2 VAL 57 11.779 3.041 12.080 451 HG22 VAL 57 1HG2 VAL 57 11.659 2.945 10.324 452 HG23 VAL 57 2HG2 VAL 57 10.701 1.861 11.332 453 H PHE 58 H PHE 58 9.229 5.766 8.722 454 HA PHE 58 HA PHE 58 9.971 4.734 6.238 455 HB2 PHE 58 1HB PHE 58 10.407 7.449 7.463 456 HB3 PHE 58 2HB PHE 58 10.889 7.070 5.813 457 HD1 PHE 58 HD2 PHE 58 9.148 6.402 4.161 458 HD2 PHE 58 HD1 PHE 58 8.173 7.941 7.996 459 HE1 PHE 58 HE2 PHE 58 6.879 6.923 3.373 460 HE2 PHE 58 HE1 PHE 58 5.905 8.471 7.220 461 HZ PHE 58 HZ PHE 58 5.254 7.960 4.902 462 H THR 59 H THR 59 11.646 3.514 5.865 463 HA THR 59 HA THR 59 14.216 4.115 7.148 464 HB THR 59 HB THR 59 13.563 1.622 5.571 465 HG1 THR 59 HG1 THR 59 12.198 2.286 7.627 466 HG21 THR 59 3HG2 THR 59 15.296 0.625 6.992 467 HG22 THR 59 1HG2 THR 59 15.507 2.166 7.823 468 HG23 THR 59 2HG2 THR 59 15.923 2.021 6.115 469 H GLU 60 H GLU 60 16.157 3.774 5.657 470 HA GLU 60 HA GLU 60 15.835 5.431 3.373 471 HB2 GLU 60 1HB GLU 60 18.285 4.770 2.965 472 HB3 GLU 60 2HB GLU 60 17.901 5.676 4.417 473 HG2 GLU 60 1HG GLU 60 19.487 3.958 4.942 474 HG3 GLU 60 2HG GLU 60 17.947 3.577 5.708 475 H SER 61 H SER 61 15.321 2.160 3.818 476 HA SER 61 HA SER 61 15.757 1.481 1.018 477 HB2 SER 61 1HB SER 61 14.745 -0.209 3.324 478 HB3 SER 61 2HB SER 61 15.117 -0.799 1.703 479 HG SER 61 HG SER 61 16.996 0.482 3.425 480 HA PRO 62 HA PRO 62 11.557 2.800 0.122 481 HB2 PRO 62 1HB PRO 62 12.077 1.234 -2.344 482 HB3 PRO 62 2HB PRO 62 11.543 2.908 -2.166 483 HG2 PRO 62 1HG PRO 62 14.039 2.335 -2.919 484 HG3 PRO 62 2HG PRO 62 13.695 3.702 -1.841 485 HD2 PRO 62 1HD PRO 62 14.795 0.997 -1.190 486 HD3 PRO 62 2HD PRO 62 15.224 2.583 -0.515 487 H GLN 63 H GLN 63 10.023 1.726 1.183 488 HA GLN 63 HA GLN 63 9.878 -1.174 1.049 489 HB2 GLN 63 1HB GLN 63 8.339 0.844 2.690 490 HB3 GLN 63 2HB GLN 63 8.109 -0.895 2.790 491 HG2 GLN 63 1HG GLN 63 10.374 -1.188 3.578 492 HG3 GLN 63 2HG GLN 63 10.689 0.536 3.382 493 HE21 GLN 63 2HE2 GLN 63 10.802 -1.194 5.766 494 HE22 GLN 63 1HE2 GLN 63 9.746 -0.451 6.923 495 H THR 64 H THR 64 8.039 -2.312 0.395 496 HA THR 64 HA THR 64 6.067 -0.769 -1.157 497 HB THR 64 HB THR 64 6.878 -3.624 -1.739 498 HG1 THR 64 HG1 THR 64 8.685 -2.319 -2.123 499 HG21 THR 64 3HG2 THR 64 4.682 -2.944 -2.581 500 HG22 THR 64 1HG2 THR 64 5.819 -3.184 -3.909 501 HG23 THR 64 2HG2 THR 64 5.413 -1.551 -3.379 502 H ILE 65 H ILE 65 4.097 -0.861 -0.302 503 HA ILE 65 HA ILE 65 3.422 -3.137 1.440 504 HB ILE 65 HB ILE 65 2.169 -0.383 1.359 505 HG12 ILE 65 1HG1 ILE 65 3.911 -1.694 3.457 506 HG13 ILE 65 2HG1 ILE 65 4.428 -0.421 2.356 507 HG21 ILE 65 1HG2 ILE 65 0.943 -1.123 3.360 508 HG22 ILE 65 2HG2 ILE 65 1.619 -2.740 3.159 509 HG23 ILE 65 3HG2 ILE 65 0.534 -2.078 1.936 510 HD11 ILE 65 3HD1 ILE 65 2.298 -0.176 4.467 511 HD12 ILE 65 1HD1 ILE 65 2.806 1.100 3.362 512 HD13 ILE 65 2HD1 ILE 65 3.938 0.467 4.558 513 H ASN 66 H ASN 66 2.566 -4.602 0.054 514 HA ASN 66 HA ASN 66 0.495 -3.760 -1.808 515 HB2 ASN 66 1HB ASN 66 1.866 -6.405 -1.329 516 HB3 ASN 66 2HB ASN 66 0.472 -6.245 -2.392 517 HD21 ASN 66 2HD2 ASN 66 3.161 -7.062 -3.054 518 HD22 ASN 66 1HD2 ASN 66 3.727 -5.954 -4.259 519 H ILE 67 H ILE 67 -1.471 -3.523 -1.073 520 HA ILE 67 HA ILE 67 -2.385 -5.173 1.186 521 HB ILE 67 HB ILE 67 -3.639 -2.643 0.104 522 HG12 ILE 67 1HG1 ILE 67 -1.812 -3.004 2.492 523 HG13 ILE 67 2HG1 ILE 67 -1.368 -2.223 0.980 524 HG21 ILE 67 1HG2 ILE 67 -4.061 -4.149 2.684 525 HG22 ILE 67 2HG2 ILE 67 -5.176 -4.090 1.319 526 HG23 ILE 67 3HG2 ILE 67 -4.835 -2.627 2.244 527 HD11 ILE 67 3HD1 ILE 67 -3.462 -1.267 2.916 528 HD12 ILE 67 1HD1 ILE 67 -3.030 -0.486 1.394 529 HD13 ILE 67 2HD1 ILE 67 -1.846 -0.591 2.698 530 H ILE 68 H ILE 68 -3.599 -6.872 0.622 531 HA ILE 68 HA ILE 68 -4.807 -6.849 -2.044 532 HB ILE 68 HB ILE 68 -4.234 -9.208 -0.250 533 HG12 ILE 68 1HG1 ILE 68 -2.754 -8.173 -2.682 534 HG13 ILE 68 2HG1 ILE 68 -2.189 -8.065 -1.018 535 HG21 ILE 68 1HG2 ILE 68 -5.085 -9.078 -3.142 536 HG22 ILE 68 2HG2 ILE 68 -6.075 -9.623 -1.789 537 HG23 ILE 68 3HG2 ILE 68 -4.648 -10.545 -2.266 538 HD11 ILE 68 3HD1 ILE 68 -1.086 -9.859 -2.220 539 HD12 ILE 68 1HD1 ILE 68 -2.648 -10.605 -2.563 540 HD13 ILE 68 2HD1 ILE 68 -2.069 -10.495 -0.900 541 H TYR 69 H TYR 69 -6.853 -6.416 -2.175 542 HA TYR 69 HA TYR 69 -8.681 -7.097 0.021 543 HB2 TYR 69 1HB TYR 69 -9.124 -5.372 -2.430 544 HB3 TYR 69 2HB TYR 69 -10.272 -5.605 -1.115 545 HD1 TYR 69 HD1 TYR 69 -7.158 -3.980 -2.139 546 HD2 TYR 69 HD2 TYR 69 -9.942 -4.514 1.032 547 HE1 TYR 69 HE1 TYR 69 -6.159 -2.077 -0.953 548 HE2 TYR 69 HE2 TYR 69 -8.949 -2.608 2.231 549 HH TYR 69 HH TYR 69 -6.805 -1.402 2.305 550 H GLN 70 H GLN 70 -10.888 -7.802 -0.749 551 HA GLN 70 HA GLN 70 -10.697 -9.641 -3.039 552 HB2 GLN 70 1HB GLN 70 -10.471 -10.849 -0.866 553 HB3 GLN 70 2HB GLN 70 -12.035 -10.213 -0.382 554 HG2 GLN 70 1HG GLN 70 -13.008 -11.373 -2.382 555 HG3 GLN 70 2HG GLN 70 -11.441 -12.153 -2.596 556 HE21 GLN 70 2HE2 GLN 70 -13.993 -13.390 -2.047 557 HE22 GLN 70 1HE2 GLN 70 -13.805 -14.252 -0.551 558 H LYS 71 H LYS 71 -12.373 -9.443 -4.430 559 HA LYS 71 HA LYS 71 -14.442 -7.564 -3.967 560 HB2 LYS 71 1HB LYS 71 -13.689 -8.103 -6.239 561 HB3 LYS 71 2HB LYS 71 -14.279 -9.750 -6.051 562 HG2 LYS 71 1HG LYS 71 -16.545 -8.991 -5.915 563 HG3 LYS 71 2HG LYS 71 -16.024 -7.305 -5.886 564 HD2 LYS 71 1HD LYS 71 -15.033 -7.657 -8.153 565 HD3 LYS 71 2HD LYS 71 -15.781 -9.256 -8.171 566 HE2 LYS 71 1HE LYS 71 -17.977 -8.274 -7.978 567 HE3 LYS 71 2HE LYS 71 -17.279 -6.664 -7.808 568 HZ1 LYS 71 3HZ LYS 71 -18.046 -6.956 -10.038 569 HZ2 LYS 71 1HZ LYS 71 -17.168 -8.400 -10.218 570 HZ3 LYS 71 2HZ LYS 71 -16.351 -6.921 -10.060 571 H LYS 72 H LYS 72 -16.472 -7.824 -3.250 572 HA LYS 72 HA LYS 72 -16.985 -10.053 -1.571 573 HB2 LYS 72 1HB LYS 72 -18.865 -7.858 -2.459 574 HB3 LYS 72 2HB LYS 72 -19.115 -8.948 -1.102 575 HG2 LYS 72 1HG LYS 72 -17.243 -8.003 0.069 576 HG3 LYS 72 2HG LYS 72 -16.832 -7.002 -1.323 577 HD2 LYS 72 1HD LYS 72 -19.504 -6.800 0.035 578 HD3 LYS 72 2HD LYS 72 -18.096 -5.908 0.615 579 HE2 LYS 72 1HE LYS 72 -19.366 -4.468 -0.818 580 HE3 LYS 72 2HE LYS 72 -17.869 -4.893 -1.637 581 HZ1 LYS 72 3HZ LYS 72 -19.616 -5.008 -3.208 582 HZ2 LYS 72 1HZ LYS 72 -20.590 -5.951 -2.188 583 HZ3 LYS 72 2HZ LYS 72 -19.179 -6.605 -2.864 584 H ALA 73 H ALA 73 -18.326 -11.747 -1.818 585 HA ALA 73 HA ALA 73 -19.204 -12.585 -4.383 586 HB1 ALA 73 3HB ALA 73 -19.999 -13.571 -1.638 587 HB2 ALA 73 1HB ALA 73 -18.641 -14.163 -2.594 588 HB3 ALA 73 2HB ALA 73 -20.293 -14.414 -3.159 589 HA PRO 74 HA PRO 74 -23.284 -10.934 -5.053 590 HB2 PRO 74 1HB PRO 74 -24.387 -13.636 -4.388 591 HB3 PRO 74 2HB PRO 74 -24.776 -12.567 -5.741 592 HG2 PRO 74 1HG PRO 74 -23.177 -14.666 -6.087 593 HG3 PRO 74 2HG PRO 74 -22.857 -13.130 -6.911 594 HD2 PRO 74 1HD PRO 74 -21.448 -14.373 -4.612 595 HD3 PRO 74 2HD PRO 74 -20.823 -13.284 -5.865 596 H GLU 75 H GLU 75 -23.766 -9.546 -3.451 597 HA GLU 75 HA GLU 75 -24.033 -10.321 -0.724 598 HB2 GLU 75 1HB GLU 75 -24.752 -7.733 -2.108 599 HB3 GLU 75 2HB GLU 75 -24.681 -7.960 -0.365 600 HG2 GLU 75 1HG GLU 75 -22.316 -8.434 -0.489 601 HG3 GLU 75 2HG GLU 75 -22.363 -8.318 -2.246 602 H GLN 76 H GLN 76 -26.210 -10.148 -3.358 603 HA GLN 76 HA GLN 76 -28.592 -10.003 -1.759 604 HB2 GLN 76 1HB GLN 76 -28.110 -10.667 -4.662 605 HB3 GLN 76 2HB GLN 76 -29.712 -10.629 -3.933 606 HG2 GLN 76 1HG GLN 76 -29.523 -8.312 -3.446 607 HG3 GLN 76 2HG GLN 76 -27.818 -8.300 -3.890 608 HE21 GLN 76 2HE2 GLN 76 -30.117 -6.756 -4.872 609 HE22 GLN 76 1HE2 GLN 76 -30.123 -6.990 -6.591 610 H ALA 77 H ALA 77 -26.375 -12.418 -2.641 611 HA ALA 77 HA ALA 77 -28.224 -14.600 -2.078 612 HB1 ALA 77 3HB ALA 77 -25.269 -14.664 -2.697 613 HB2 ALA 77 1HB ALA 77 -26.571 -14.902 -3.863 614 HB3 ALA 77 2HB ALA 77 -26.330 -16.066 -2.560 615 H LEU 78 H LEU 78 -26.109 -12.506 -0.477 616 HA LEU 78 HA LEU 78 -25.632 -14.282 1.773 617 HB2 LEU 78 1HB LEU 78 -24.945 -11.362 1.389 618 HB3 LEU 78 2HB LEU 78 -24.438 -12.354 2.742 619 HG LEU 78 HG LEU 78 -23.628 -12.777 -0.136 620 HD11 LEU 78 1HD1 LEU 78 -22.077 -11.699 2.214 621 HD12 LEU 78 2HD1 LEU 78 -22.622 -10.778 0.812 622 HD13 LEU 78 3HD1 LEU 78 -21.415 -12.050 0.617 623 HD21 LEU 78 3HD2 LEU 78 -23.742 -14.866 1.134 624 HD22 LEU 78 1HD2 LEU 78 -22.709 -14.166 2.381 625 HD23 LEU 78 2HD2 LEU 78 -22.077 -14.429 0.756 626 H GLU 79 H GLU 79 -27.196 -14.565 3.210 627 HA GLU 79 HA GLU 79 -29.472 -12.907 3.389 628 HB2 GLU 79 1HB GLU 79 -28.436 -15.013 5.294 629 HB3 GLU 79 2HB GLU 79 -30.019 -14.255 5.411 630 HG2 GLU 79 1HG GLU 79 -30.516 -15.112 3.123 631 HG3 GLU 79 2HG GLU 79 -28.998 -16.003 3.187 632 H HIS 80 H HIS 80 -30.061 -11.363 4.846 633 HA HIS 80 HA HIS 80 -27.876 -9.835 5.922 634 HB2 HIS 80 1HB HIS 80 -30.865 -9.372 5.989 635 HB3 HIS 80 2HB HIS 80 -29.674 -8.234 6.613 636 HD1 HIS 80 HD1 HIS 80 -29.309 -6.393 5.002 637 HD2 HIS 80 HD2 HIS 80 -30.025 -10.014 3.080 638 HE1 HIS 80 HE1 HIS 80 -29.159 -5.901 2.539 639 HE2 HIS 80 HE2 HIS 80 -29.791 -8.064 1.401 640 H HIS 81 H HIS 81 -30.517 -11.784 7.176 641 HA HIS 81 HA HIS 81 -29.434 -11.618 9.874 642 HB2 HIS 81 1HB HIS 81 -31.537 -13.504 8.767 643 HB3 HIS 81 2HB HIS 81 -31.149 -13.262 10.464 644 HD1 HIS 81 HD1 HIS 81 -33.863 -12.664 8.611 645 HD2 HIS 81 HD2 HIS 81 -31.365 -10.013 10.622 646 HE1 HIS 81 HE1 HIS 81 -35.242 -10.596 9.006 647 HE2 HIS 81 HE2 HIS 81 -33.669 -8.953 10.089 648 H HIS 82 H HIS 82 -27.658 -12.742 10.363 649 HA HIS 82 HA HIS 82 -26.337 -14.250 8.425 650 HB2 HIS 82 1HB HIS 82 -25.835 -13.938 11.376 651 HB3 HIS 82 2HB HIS 82 -24.775 -14.882 10.329 652 HD1 HIS 82 HD1 HIS 82 -24.900 -11.657 11.722 653 HD2 HIS 82 HD2 HIS 82 -24.119 -13.101 7.901 654 HE1 HIS 82 HE1 HIS 82 -23.692 -9.804 10.529 655 HE2 HIS 82 HE2 HIS 82 -23.057 -10.780 8.293 656 H HIS 83 H HIS 83 -28.513 -15.306 10.945 657 HA HIS 83 HA HIS 83 -29.803 -17.186 10.970 658 HB2 HIS 83 1HB HIS 83 -29.644 -16.812 8.439 659 HB3 HIS 83 2HB HIS 83 -28.408 -18.061 8.439 660 HD1 HIS 83 HD1 HIS 83 -32.074 -17.562 9.150 661 HD2 HIS 83 HD2 HIS 83 -29.370 -20.641 8.437 662 HE1 HIS 83 HE1 HIS 83 -33.470 -19.628 8.814 663 HE2 HIS 83 HE2 HIS 83 -31.810 -21.503 8.565 664 H HIS 84 H HIS 84 -26.769 -17.061 11.757 665 HA HIS 84 HA HIS 84 -26.406 -19.974 11.997 666 HB2 HIS 84 1HB HIS 84 -24.681 -18.899 10.598 667 HB3 HIS 84 2HB HIS 84 -24.258 -17.840 11.941 668 HD1 HIS 84 HD1 HIS 84 -24.236 -21.524 11.027 669 HD2 HIS 84 HD2 HIS 84 -22.400 -18.877 13.664 670 HE1 HIS 84 HE1 HIS 84 -22.433 -22.848 12.182 671 HE2 HIS 84 HE2 HIS 84 -21.453 -21.278 13.891 672 H HIS 85 H HIS 85 -26.204 -20.839 13.930 673 HA HIS 85 HA HIS 85 -26.109 -19.072 16.273 674 HB2 HIS 85 1HB HIS 85 -26.727 -22.033 16.159 675 HB3 HIS 85 2HB HIS 85 -26.895 -20.983 17.560 676 HD1 HIS 85 HD1 HIS 85 -28.928 -19.342 17.571 677 HD2 HIS 85 HD2 HIS 85 -28.825 -21.980 14.362 678 HE1 HIS 85 HE1 HIS 85 -31.220 -19.253 16.546 679 HE2 HIS 85 HE2 HIS 85 -31.200 -21.059 14.786 Start of MODEL 18 1 H1 MET 1 1H MET 1 21.395 19.354 2.426 2 H2 MET 1 2H MET 1 22.073 20.803 2.980 3 H3 MET 1 3H MET 1 20.768 20.102 3.809 4 HA MET 1 HA MET 1 23.473 18.928 3.540 5 HB2 MET 1 1HB MET 1 22.080 20.226 5.892 6 HB3 MET 1 2HB MET 1 23.589 19.331 6.006 7 HG2 MET 1 1HG MET 1 23.204 21.779 4.301 8 HG3 MET 1 2HG MET 1 23.843 21.802 5.944 9 HE1 MET 1 3HE MET 1 25.637 19.306 6.173 10 HE2 MET 1 1HE MET 1 26.171 20.915 6.657 11 HE3 MET 1 2HE MET 1 27.200 19.916 5.632 12 H ASP 2 H ASP 2 22.628 16.933 2.876 13 HA ASP 2 HA ASP 2 21.675 15.223 4.939 14 HB2 ASP 2 1HB ASP 2 19.528 14.609 3.741 15 HB3 ASP 2 2HB ASP 2 19.521 16.177 4.540 16 H PHE 3 H PHE 3 21.409 13.007 4.173 17 HA PHE 3 HA PHE 3 22.579 12.497 1.535 18 HB2 PHE 3 1HB PHE 3 23.437 11.236 4.145 19 HB3 PHE 3 2HB PHE 3 23.851 10.575 2.568 20 HD1 PHE 3 HD1 PHE 3 25.370 11.783 1.078 21 HD2 PHE 3 HD2 PHE 3 24.531 13.180 5.009 22 HE1 PHE 3 HE1 PHE 3 27.339 13.253 0.974 23 HE2 PHE 3 HE2 PHE 3 26.497 14.650 4.909 24 HZ PHE 3 HZ PHE 3 27.904 14.688 2.891 25 H GLY 4 H GLY 4 20.829 11.721 0.548 26 HA2 GLY 4 1HA GLY 4 19.896 9.199 0.708 27 HA3 GLY 4 2HA GLY 4 18.938 10.028 1.928 28 H LYS 5 H LYS 5 17.431 9.026 0.100 29 HA LYS 5 HA LYS 5 16.769 11.257 -1.704 30 HB2 LYS 5 1HB LYS 5 16.566 8.290 -2.282 31 HB3 LYS 5 2HB LYS 5 15.977 9.563 -3.341 32 HG2 LYS 5 1HG LYS 5 18.234 10.375 -3.668 33 HG3 LYS 5 2HG LYS 5 18.852 9.175 -2.534 34 HD2 LYS 5 1HD LYS 5 17.302 8.357 -4.968 35 HD3 LYS 5 2HD LYS 5 19.028 8.698 -5.062 36 HE2 LYS 5 1HE LYS 5 18.737 6.340 -4.768 37 HE3 LYS 5 2HE LYS 5 19.404 7.006 -3.281 38 HZ1 LYS 5 3HZ LYS 5 16.524 6.409 -3.706 39 HZ2 LYS 5 1HZ LYS 5 17.258 6.888 -2.255 40 HZ3 LYS 5 2HZ LYS 5 17.614 5.370 -2.922 41 HA PRO 6 HA PRO 6 12.549 11.290 -0.304 42 HB2 PRO 6 1HB PRO 6 11.719 10.154 -2.941 43 HB3 PRO 6 2HB PRO 6 11.066 11.540 -2.057 44 HG2 PRO 6 1HG PRO 6 12.680 11.901 -4.139 45 HG3 PRO 6 2HG PRO 6 12.798 12.937 -2.704 46 HD2 PRO 6 1HD PRO 6 14.592 10.747 -3.613 47 HD3 PRO 6 2HD PRO 6 14.978 12.228 -2.717 48 H ASN 7 H ASN 7 12.196 9.805 1.213 49 HA ASN 7 HA ASN 7 12.238 6.982 0.703 50 HB2 ASN 7 1HB ASN 7 12.887 8.134 2.880 51 HB3 ASN 7 2HB ASN 7 11.168 8.386 3.156 52 HD21 ASN 7 2HD2 ASN 7 13.104 6.862 4.674 53 HD22 ASN 7 1HD2 ASN 7 12.520 5.234 4.731 54 H GLN 8 H GLN 8 10.591 5.938 -0.237 55 HA GLN 8 HA GLN 8 7.926 7.163 -0.035 56 HB2 GLN 8 1HB GLN 8 9.083 5.556 -2.315 57 HB3 GLN 8 2HB GLN 8 7.435 6.168 -2.239 58 HG2 GLN 8 1HG GLN 8 8.352 8.465 -2.114 59 HG3 GLN 8 2HG GLN 8 9.964 7.792 -2.341 60 HE21 GLN 8 2HE2 GLN 8 8.928 5.725 -4.197 61 HE22 GLN 8 1HE2 GLN 8 8.658 6.565 -5.686 62 H VAL 9 H VAL 9 6.568 6.064 1.147 63 HA VAL 9 HA VAL 9 6.680 3.141 1.218 64 HB VAL 9 HB VAL 9 4.943 5.098 2.742 65 HG11 VAL 9 1HG1 VAL 9 3.700 3.050 2.308 66 HG12 VAL 9 2HG1 VAL 9 4.148 3.157 4.012 67 HG13 VAL 9 3HG1 VAL 9 5.043 2.089 2.929 68 HG21 VAL 9 3HG2 VAL 9 7.178 3.287 3.645 69 HG22 VAL 9 1HG2 VAL 9 6.198 4.314 4.691 70 HG23 VAL 9 2HG2 VAL 9 7.261 5.041 3.486 71 H THR 10 H THR 10 5.822 2.287 -0.564 72 HA THR 10 HA THR 10 3.684 3.713 -1.944 73 HB THR 10 HB THR 10 5.155 1.252 -2.883 74 HG1 THR 10 HG1 THR 10 6.358 3.384 -2.340 75 HG21 THR 10 3HG2 THR 10 3.672 3.424 -4.378 76 HG22 THR 10 1HG2 THR 10 3.081 1.788 -4.088 77 HG23 THR 10 2HG2 THR 10 4.497 2.046 -5.107 78 H VAL 11 H VAL 11 1.740 3.260 -1.174 79 HA VAL 11 HA VAL 11 1.005 0.575 -0.356 80 HB VAL 11 HB VAL 11 -0.601 3.138 -0.452 81 HG11 VAL 11 1HG1 VAL 11 -1.305 0.477 0.781 82 HG12 VAL 11 2HG1 VAL 11 -2.057 1.199 -0.641 83 HG13 VAL 11 3HG1 VAL 11 -2.239 1.966 0.936 84 HG21 VAL 11 3HG2 VAL 11 0.684 1.700 1.866 85 HG22 VAL 11 1HG2 VAL 11 -0.346 3.127 1.986 86 HG23 VAL 11 2HG2 VAL 11 1.211 3.230 1.163 87 H ASN 12 H ASN 12 0.662 -0.794 -1.982 88 HA ASN 12 HA ASN 12 -0.706 0.122 -4.406 89 HB2 ASN 12 1HB ASN 12 0.728 -2.447 -3.712 90 HB3 ASN 12 2HB ASN 12 -0.188 -2.238 -5.201 91 HD21 ASN 12 2HD2 ASN 12 2.680 -2.707 -4.688 92 HD22 ASN 12 1HD2 ASN 12 3.501 -1.425 -5.515 93 H TYR 13 H TYR 13 -2.738 -0.504 -4.953 94 HA TYR 13 HA TYR 13 -4.192 -2.083 -2.948 95 HB2 TYR 13 1HB TYR 13 -5.194 -0.097 -4.993 96 HB3 TYR 13 2HB TYR 13 -6.233 -1.034 -3.926 97 HD1 TYR 13 HD2 TYR 13 -6.038 -0.684 -1.440 98 HD2 TYR 13 HD1 TYR 13 -4.199 1.927 -4.248 99 HE1 TYR 13 HE2 TYR 13 -5.867 1.050 0.294 100 HE2 TYR 13 HE1 TYR 13 -4.021 3.669 -2.521 101 HH TYR 13 HH TYR 13 -4.566 3.043 0.792 102 H LEU 14 H LEU 14 -4.157 -4.156 -3.545 103 HA LEU 14 HA LEU 14 -4.600 -4.836 -6.376 104 HB2 LEU 14 1HB LEU 14 -3.717 -6.693 -4.172 105 HB3 LEU 14 2HB LEU 14 -3.629 -6.967 -5.900 106 HG LEU 14 HG LEU 14 -2.001 -4.933 -4.383 107 HD11 LEU 14 1HD1 LEU 14 -0.116 -6.426 -4.809 108 HD12 LEU 14 2HD1 LEU 14 -1.209 -7.598 -5.544 109 HD13 LEU 14 3HD1 LEU 14 -1.352 -7.216 -3.828 110 HD21 LEU 14 3HD2 LEU 14 -2.435 -4.261 -6.680 111 HD22 LEU 14 1HD2 LEU 14 -1.858 -5.826 -7.255 112 HD23 LEU 14 2HD2 LEU 14 -0.743 -4.712 -6.461 113 H ASP 15 H ASP 15 -6.064 -6.572 -6.866 114 HA ASP 15 HA ASP 15 -8.355 -6.757 -5.086 115 HB2 ASP 15 1HB ASP 15 -8.744 -6.547 -7.506 116 HB3 ASP 15 2HB ASP 15 -7.830 -8.023 -7.792 117 H GLU 16 H GLU 16 -6.450 -9.130 -6.846 118 HA GLU 16 HA GLU 16 -5.558 -10.608 -4.626 119 HB2 GLU 16 1HB GLU 16 -7.956 -11.289 -4.508 120 HB3 GLU 16 2HB GLU 16 -7.840 -11.890 -6.158 121 HG2 GLU 16 1HG GLU 16 -5.744 -13.124 -4.832 122 HG3 GLU 16 2HG GLU 16 -7.071 -13.143 -3.670 123 H ASN 17 H ASN 17 -6.426 -10.354 -7.938 124 HA ASN 17 HA ASN 17 -4.732 -12.338 -9.041 125 HB2 ASN 17 1HB ASN 17 -5.122 -10.975 -11.165 126 HB3 ASN 17 2HB ASN 17 -6.555 -11.604 -10.359 127 HD21 ASN 17 2HD2 ASN 17 -7.814 -10.021 -11.373 128 HD22 ASN 17 1HD2 ASN 17 -7.814 -8.379 -10.817 129 H ASN 18 H ASN 18 -3.738 -9.834 -7.310 130 HA ASN 18 HA ASN 18 -1.783 -8.718 -7.043 131 HB2 ASN 18 1HB ASN 18 -0.760 -10.914 -7.654 132 HB3 ASN 18 2HB ASN 18 -0.739 -10.401 -9.336 133 HD21 ASN 18 2HD2 ASN 18 1.480 -10.600 -9.453 134 HD22 ASN 18 1HD2 ASN 18 2.555 -9.461 -8.716 135 H THR 19 H THR 19 -3.861 -8.155 -9.297 136 HA THR 19 HA THR 19 -2.289 -6.218 -10.823 137 HB THR 19 HB THR 19 -5.240 -6.849 -11.069 138 HG1 THR 19 HG1 THR 19 -2.942 -7.992 -12.302 139 HG21 THR 19 3HG2 THR 19 -4.568 -4.687 -12.017 140 HG22 THR 19 1HG2 THR 19 -5.019 -5.826 -13.284 141 HG23 THR 19 2HG2 THR 19 -3.318 -5.490 -12.966 142 H SER 20 H SER 20 -2.252 -4.117 -10.289 143 HA SER 20 HA SER 20 -3.542 -3.200 -7.926 144 HB2 SER 20 1HB SER 20 -2.105 -1.605 -10.064 145 HB3 SER 20 2HB SER 20 -2.484 -1.051 -8.432 146 HG SER 20 HG SER 20 -0.907 -3.359 -8.948 147 H ILE 21 H ILE 21 -5.652 -2.838 -7.848 148 HA ILE 21 HA ILE 21 -7.115 -2.102 -10.242 149 HB ILE 21 HB ILE 21 -9.131 -2.306 -8.803 150 HG12 ILE 21 1HG1 ILE 21 -7.132 -3.152 -6.690 151 HG13 ILE 21 2HG1 ILE 21 -8.100 -1.682 -6.656 152 HG21 ILE 21 1HG2 ILE 21 -7.249 -4.661 -8.748 153 HG22 ILE 21 2HG2 ILE 21 -8.308 -4.205 -10.081 154 HG23 ILE 21 3HG2 ILE 21 -8.999 -4.739 -8.550 155 HD11 ILE 21 3HD1 ILE 21 -9.018 -3.390 -5.193 156 HD12 ILE 21 1HD1 ILE 21 -9.168 -4.493 -6.559 157 HD13 ILE 21 2HD1 ILE 21 -10.131 -3.018 -6.508 158 H ALA 22 H ALA 22 -5.628 -0.513 -7.669 159 HA ALA 22 HA ALA 22 -6.974 1.979 -8.427 160 HB1 ALA 22 3HB ALA 22 -6.334 1.196 -5.582 161 HB2 ALA 22 1HB ALA 22 -7.946 1.225 -6.296 162 HB3 ALA 22 2HB ALA 22 -7.034 2.723 -6.113 163 HA PRO 23 HA PRO 23 -2.959 3.688 -8.962 164 HB2 PRO 23 1HB PRO 23 -3.233 6.122 -7.669 165 HB3 PRO 23 2HB PRO 23 -3.759 5.789 -9.322 166 HG2 PRO 23 1HG PRO 23 -5.352 5.803 -6.794 167 HG3 PRO 23 2HG PRO 23 -5.791 6.414 -8.400 168 HD2 PRO 23 1HD PRO 23 -6.740 4.083 -7.513 169 HD3 PRO 23 2HD PRO 23 -6.272 4.291 -9.214 170 H SER 24 H SER 24 -1.033 3.618 -7.978 171 HA SER 24 HA SER 24 -0.755 2.644 -5.369 172 HB2 SER 24 1HB SER 24 1.335 4.060 -7.041 173 HB3 SER 24 2HB SER 24 1.632 2.941 -5.709 174 HG SER 24 HG SER 24 1.135 1.283 -6.951 175 H LEU 25 H LEU 25 -0.844 3.635 -3.473 176 HA LEU 25 HA LEU 25 -0.654 6.564 -3.376 177 HB2 LEU 25 1HB LEU 25 -2.639 5.517 -2.375 178 HB3 LEU 25 2HB LEU 25 -1.613 4.551 -1.333 179 HG LEU 25 HG LEU 25 -0.824 6.633 -0.234 180 HD11 LEU 25 1HD1 LEU 25 -1.210 8.175 -2.076 181 HD12 LEU 25 2HD1 LEU 25 -2.049 8.706 -0.619 182 HD13 LEU 25 3HD1 LEU 25 -2.950 7.935 -1.924 183 HD21 LEU 25 3HD2 LEU 25 -2.639 5.330 0.737 184 HD22 LEU 25 1HD2 LEU 25 -3.811 6.209 -0.247 185 HD23 LEU 25 2HD2 LEU 25 -2.898 7.055 1.003 186 H TYR 26 H TYR 26 1.423 7.222 -3.088 187 HA TYR 26 HA TYR 26 3.044 5.631 -1.217 188 HB2 TYR 26 1HB TYR 26 5.050 6.472 -2.514 189 HB3 TYR 26 2HB TYR 26 4.034 5.296 -3.330 190 HD1 TYR 26 HD2 TYR 26 2.694 5.938 -5.260 191 HD2 TYR 26 HD1 TYR 26 5.212 8.756 -3.304 192 HE1 TYR 26 HE2 TYR 26 2.525 7.428 -7.208 193 HE2 TYR 26 HE1 TYR 26 5.056 10.255 -5.248 194 HH TYR 26 HH TYR 26 2.768 9.869 -7.700 195 H LEU 27 H LEU 27 3.721 6.561 0.522 196 HA LEU 27 HA LEU 27 3.436 9.450 0.834 197 HB2 LEU 27 1HB LEU 27 4.166 7.348 2.878 198 HB3 LEU 27 2HB LEU 27 3.786 9.026 3.215 199 HG LEU 27 HG LEU 27 1.866 6.968 2.132 200 HD11 LEU 27 1HD1 LEU 27 2.052 8.260 4.848 201 HD12 LEU 27 2HD1 LEU 27 2.448 6.585 4.465 202 HD13 LEU 27 3HD1 LEU 27 0.786 7.155 4.312 203 HD21 LEU 27 3HD2 LEU 27 0.157 8.684 2.471 204 HD22 LEU 27 1HD2 LEU 27 1.364 9.204 1.295 205 HD23 LEU 27 2HD2 LEU 27 1.405 9.838 2.940 206 H SER 28 H SER 28 5.179 10.681 1.825 207 HA SER 28 HA SER 28 7.837 9.485 1.562 208 HB2 SER 28 1HB SER 28 7.042 12.201 0.483 209 HB3 SER 28 2HB SER 28 8.682 11.552 0.511 210 HG SER 28 HG SER 28 7.223 9.710 -0.630 211 H GLY 29 H GLY 29 8.883 9.666 3.414 212 HA2 GLY 29 1HA GLY 29 8.507 12.072 5.049 213 HA3 GLY 29 2HA GLY 29 8.197 10.503 5.781 214 H LEU 30 H LEU 30 9.919 11.432 7.239 215 HA LEU 30 HA LEU 30 12.613 11.218 6.110 216 HB2 LEU 30 1HB LEU 30 11.680 12.144 8.826 217 HB3 LEU 30 2HB LEU 30 13.345 12.154 8.273 218 HG LEU 30 HG LEU 30 11.082 13.779 7.102 219 HD11 LEU 30 1HD1 LEU 30 11.828 14.567 9.292 220 HD12 LEU 30 2HD1 LEU 30 12.283 15.689 8.010 221 HD13 LEU 30 3HD1 LEU 30 13.492 14.612 8.711 222 HD21 LEU 30 3HD2 LEU 30 12.806 14.828 5.731 223 HD22 LEU 30 1HD2 LEU 30 12.704 13.098 5.400 224 HD23 LEU 30 2HD2 LEU 30 14.016 13.731 6.395 225 H PHE 31 H PHE 31 14.272 10.173 7.596 226 HA PHE 31 HA PHE 31 13.612 7.439 7.832 227 HB2 PHE 31 1HB PHE 31 15.879 8.072 7.322 228 HB3 PHE 31 2HB PHE 31 16.008 9.004 8.809 229 HD1 PHE 31 HD1 PHE 31 14.975 5.520 7.928 230 HD2 PHE 31 HD2 PHE 31 17.392 8.049 10.351 231 HE1 PHE 31 HE1 PHE 31 15.873 3.544 9.088 232 HE2 PHE 31 HE2 PHE 31 18.295 6.080 11.515 233 HZ PHE 31 HZ PHE 31 17.534 3.822 10.887 234 H ASN 32 H ASN 32 12.895 6.247 9.464 235 HA ASN 32 HA ASN 32 12.234 5.558 11.520 236 HB2 ASN 32 1HB ASN 32 14.579 6.245 12.144 237 HB3 ASN 32 2HB ASN 32 13.928 7.797 12.653 238 HD21 ASN 32 2HD2 ASN 32 14.650 7.440 14.758 239 HD22 ASN 32 1HD2 ASN 32 13.833 6.350 15.826 240 H GLU 33 H GLU 33 11.048 7.972 10.020 241 HA GLU 33 HA GLU 33 9.556 9.248 12.166 242 HB2 GLU 33 1HB GLU 33 10.287 10.613 10.274 243 HB3 GLU 33 2HB GLU 33 9.428 9.565 9.157 244 HG2 GLU 33 1HG GLU 33 7.328 10.309 9.917 245 HG3 GLU 33 2HG GLU 33 8.036 11.094 11.330 246 H ALA 34 H ALA 34 7.358 8.922 12.544 247 HA ALA 34 HA ALA 34 6.501 6.243 11.954 248 HB1 ALA 34 3HB ALA 34 6.178 7.235 14.170 249 HB2 ALA 34 1HB ALA 34 4.653 6.708 13.456 250 HB3 ALA 34 2HB ALA 34 5.074 8.420 13.472 251 H TYR 35 H TYR 35 5.082 5.563 10.500 252 HA TYR 35 HA TYR 35 3.388 7.550 9.137 253 HB2 TYR 35 1HB TYR 35 3.761 6.514 7.012 254 HB3 TYR 35 2HB TYR 35 5.347 6.788 7.725 255 HD1 TYR 35 HD2 TYR 35 6.578 4.848 8.739 256 HD2 TYR 35 HD1 TYR 35 3.025 4.332 6.460 257 HE1 TYR 35 HE2 TYR 35 7.107 2.465 8.461 258 HE2 TYR 35 HE1 TYR 35 3.543 1.945 6.179 259 HH TYR 35 HH TYR 35 5.764 0.530 6.220 260 H ASN 36 H ASN 36 1.403 6.722 8.312 261 HA ASN 36 HA ASN 36 0.631 4.064 9.308 262 HB2 ASN 36 1HB ASN 36 -0.364 5.862 10.726 263 HB3 ASN 36 2HB ASN 36 -1.146 6.522 9.293 264 HD21 ASN 36 2HD2 ASN 36 -3.204 6.225 10.068 265 HD22 ASN 36 1HD2 ASN 36 -3.927 4.657 10.245 266 H VAL 37 H VAL 37 -1.097 3.065 8.054 267 HA VAL 37 HA VAL 37 -0.979 3.939 5.246 268 HB VAL 37 HB VAL 37 -1.510 1.181 6.371 269 HG11 VAL 37 1HG1 VAL 37 -2.764 1.555 4.312 270 HG12 VAL 37 2HG1 VAL 37 -1.444 0.416 4.048 271 HG13 VAL 37 3HG1 VAL 37 -1.291 2.086 3.502 272 HG21 VAL 37 3HG2 VAL 37 0.821 1.854 6.578 273 HG22 VAL 37 1HG2 VAL 37 0.863 2.283 4.868 274 HG23 VAL 37 2HG2 VAL 37 0.644 0.601 5.350 275 HA PRO 38 HA PRO 38 -5.291 5.005 5.911 276 HB2 PRO 38 1HB PRO 38 -5.167 5.570 3.015 277 HB3 PRO 38 2HB PRO 38 -5.614 6.635 4.350 278 HG2 PRO 38 1HG PRO 38 -3.289 6.925 3.055 279 HG3 PRO 38 2HG PRO 38 -3.419 7.211 4.802 280 HD2 PRO 38 1HD PRO 38 -2.334 4.828 3.344 281 HD3 PRO 38 2HD PRO 38 -1.710 5.637 4.797 282 H MET 39 H MET 39 -6.432 3.171 6.168 283 HA MET 39 HA MET 39 -6.635 1.183 4.089 284 HB2 MET 39 1HB MET 39 -6.606 0.510 6.453 285 HB3 MET 39 2HB MET 39 -8.077 1.431 6.741 286 HG2 MET 39 1HG MET 39 -9.236 -0.051 5.101 287 HG3 MET 39 2HG MET 39 -7.770 -1.028 5.031 288 HE1 MET 39 3HE MET 39 -7.526 -2.271 8.773 289 HE2 MET 39 1HE MET 39 -6.820 -0.797 8.108 290 HE3 MET 39 2HE MET 39 -6.758 -2.298 7.186 291 H LYS 40 H LYS 40 -7.859 1.636 2.364 292 HA LYS 40 HA LYS 40 -10.350 3.136 2.717 293 HB2 LYS 40 1HB LYS 40 -9.035 2.168 0.168 294 HB3 LYS 40 2HB LYS 40 -10.445 3.210 0.267 295 HG2 LYS 40 1HG LYS 40 -8.999 4.907 1.403 296 HG3 LYS 40 2HG LYS 40 -7.616 3.871 1.033 297 HD2 LYS 40 1HD LYS 40 -8.283 3.966 -1.371 298 HD3 LYS 40 2HD LYS 40 -9.514 5.148 -0.933 299 HE2 LYS 40 1HE LYS 40 -7.704 6.594 -0.020 300 HE3 LYS 40 2HE LYS 40 -6.528 5.436 -0.643 301 HZ1 LYS 40 3HZ LYS 40 -7.650 5.804 -2.873 302 HZ2 LYS 40 1HZ LYS 40 -6.701 7.081 -2.284 303 HZ3 LYS 40 2HZ LYS 40 -8.389 7.155 -2.174 304 H LYS 41 H LYS 41 -12.341 2.173 2.534 305 HA LYS 41 HA LYS 41 -12.324 -0.684 1.862 306 HB2 LYS 41 1HB LYS 41 -13.439 0.139 4.016 307 HB3 LYS 41 2HB LYS 41 -14.689 0.815 2.977 308 HG2 LYS 41 1HG LYS 41 -15.124 -1.421 2.061 309 HG3 LYS 41 2HG LYS 41 -13.888 -2.088 3.125 310 HD2 LYS 41 1HD LYS 41 -15.224 -1.172 5.055 311 HD3 LYS 41 2HD LYS 41 -16.507 -0.827 3.891 312 HE2 LYS 41 1HE LYS 41 -16.926 -2.952 4.968 313 HE3 LYS 41 2HE LYS 41 -16.559 -3.199 3.263 314 HZ1 LYS 41 3HZ LYS 41 -15.434 -4.822 4.648 315 HZ2 LYS 41 1HZ LYS 41 -14.666 -3.592 5.526 316 HZ3 LYS 41 2HZ LYS 41 -14.297 -3.825 3.888 317 H ILE 42 H ILE 42 -12.501 -0.953 -0.230 318 HA ILE 42 HA ILE 42 -13.817 0.896 -1.953 319 HB ILE 42 HB ILE 42 -13.042 -1.944 -2.639 320 HG12 ILE 42 1HG1 ILE 42 -11.291 0.527 -2.728 321 HG13 ILE 42 2HG1 ILE 42 -11.149 -0.768 -1.544 322 HG21 ILE 42 1HG2 ILE 42 -13.249 0.563 -4.308 323 HG22 ILE 42 2HG2 ILE 42 -14.382 -0.788 -4.313 324 HG23 ILE 42 3HG2 ILE 42 -12.733 -1.021 -4.890 325 HD11 ILE 42 3HD1 ILE 42 -10.738 -1.032 -4.512 326 HD12 ILE 42 1HD1 ILE 42 -10.606 -2.337 -3.334 327 HD13 ILE 42 2HD1 ILE 42 -9.476 -0.984 -3.280 328 H LYS 43 H LYS 43 -15.700 0.513 -3.177 329 HA LYS 43 HA LYS 43 -17.942 -0.303 -1.798 330 HB2 LYS 43 1HB LYS 43 -17.934 1.179 -3.763 331 HB3 LYS 43 2HB LYS 43 -17.539 -0.188 -4.790 332 HG2 LYS 43 1HG LYS 43 -19.683 -1.229 -4.198 333 HG3 LYS 43 2HG LYS 43 -20.079 0.187 -3.222 334 HD2 LYS 43 1HD LYS 43 -19.830 1.586 -5.267 335 HD3 LYS 43 2HD LYS 43 -19.609 0.106 -6.201 336 HE2 LYS 43 1HE LYS 43 -21.895 0.783 -6.402 337 HE3 LYS 43 2HE LYS 43 -21.833 -0.660 -5.391 338 HZ1 LYS 43 3HZ LYS 43 -21.990 0.771 -3.432 339 HZ2 LYS 43 1HZ LYS 43 -23.327 0.970 -4.459 340 HZ3 LYS 43 2HZ LYS 43 -22.098 2.136 -4.428 341 H GLY 44 H GLY 44 -17.929 -2.320 -0.908 342 HA2 GLY 44 1HA GLY 44 -18.564 -4.541 -0.911 343 HA3 GLY 44 2HA GLY 44 -18.629 -4.489 -2.666 344 H TYR 45 H TYR 45 -15.984 -3.923 -0.347 345 HA TYR 45 HA TYR 45 -14.545 -6.193 -1.514 346 HB2 TYR 45 1HB TYR 45 -13.594 -3.347 -1.379 347 HB3 TYR 45 2HB TYR 45 -12.437 -4.671 -1.322 348 HD1 TYR 45 HD1 TYR 45 -15.175 -3.236 -3.401 349 HD2 TYR 45 HD2 TYR 45 -11.705 -5.690 -3.294 350 HE1 TYR 45 HE1 TYR 45 -15.199 -3.367 -5.857 351 HE2 TYR 45 HE2 TYR 45 -11.717 -5.827 -5.745 352 HH TYR 45 HH TYR 45 -13.584 -3.807 -7.698 353 H THR 46 H THR 46 -12.760 -6.949 -0.192 354 HA THR 46 HA THR 46 -12.826 -6.112 2.616 355 HB THR 46 HB THR 46 -13.183 -8.977 1.705 356 HG1 THR 46 HG1 THR 46 -14.959 -7.091 2.002 357 HG21 THR 46 3HG2 THR 46 -11.821 -8.843 3.733 358 HG22 THR 46 1HG2 THR 46 -13.422 -9.488 4.099 359 HG23 THR 46 2HG2 THR 46 -13.036 -7.812 4.491 360 H LEU 47 H LEU 47 -10.897 -6.237 3.624 361 HA LEU 47 HA LEU 47 -8.536 -6.247 2.168 362 HB2 LEU 47 1HB LEU 47 -8.744 -5.141 4.296 363 HB3 LEU 47 2HB LEU 47 -9.001 -6.669 5.113 364 HG LEU 47 HG LEU 47 -6.666 -7.324 4.420 365 HD11 LEU 47 1HD1 LEU 47 -6.497 -4.400 3.709 366 HD12 LEU 47 2HD1 LEU 47 -6.367 -5.757 2.592 367 HD13 LEU 47 3HD1 LEU 47 -5.131 -5.509 3.826 368 HD21 LEU 47 3HD2 LEU 47 -7.192 -6.585 6.674 369 HD22 LEU 47 1HD2 LEU 47 -6.980 -4.903 6.184 370 HD23 LEU 47 2HD2 LEU 47 -5.602 -6.005 6.176 371 H LEU 48 H LEU 48 -10.072 -8.901 3.890 372 HA LEU 48 HA LEU 48 -9.729 -11.147 3.858 373 HB2 LEU 48 1HB LEU 48 -9.346 -11.023 1.473 374 HB3 LEU 48 2HB LEU 48 -7.695 -10.490 1.727 375 HG LEU 48 HG LEU 48 -7.430 -12.776 2.961 376 HD11 LEU 48 1HD1 LEU 48 -9.796 -13.362 2.929 377 HD12 LEU 48 2HD1 LEU 48 -8.825 -14.543 2.049 378 HD13 LEU 48 3HD1 LEU 48 -9.777 -13.349 1.165 379 HD21 LEU 48 3HD2 LEU 48 -7.653 -12.590 -0.038 380 HD22 LEU 48 1HD2 LEU 48 -6.773 -13.827 0.858 381 HD23 LEU 48 2HD2 LEU 48 -6.246 -12.145 0.931 382 H LYS 49 H LYS 49 -6.478 -9.727 3.384 383 HA LYS 49 HA LYS 49 -5.610 -10.744 5.970 384 HB2 LYS 49 1HB LYS 49 -3.841 -12.132 5.072 385 HB3 LYS 49 2HB LYS 49 -5.372 -12.672 4.392 386 HG2 LYS 49 1HG LYS 49 -4.906 -11.487 2.327 387 HG3 LYS 49 2HG LYS 49 -3.406 -10.858 3.006 388 HD2 LYS 49 1HD LYS 49 -2.610 -13.205 3.244 389 HD3 LYS 49 2HD LYS 49 -4.065 -13.735 2.393 390 HE2 LYS 49 1HE LYS 49 -3.421 -12.329 0.474 391 HE3 LYS 49 2HE LYS 49 -1.946 -11.873 1.323 392 HZ1 LYS 49 3HZ LYS 49 -1.375 -14.284 1.363 393 HZ2 LYS 49 1HZ LYS 49 -1.416 -13.598 -0.186 394 HZ3 LYS 49 2HZ LYS 49 -2.699 -14.569 0.346 395 H TYR 50 H TYR 50 -3.465 -9.970 6.540 396 HA TYR 50 HA TYR 50 -2.492 -7.803 4.815 397 HB2 TYR 50 1HB TYR 50 -2.533 -8.161 7.748 398 HB3 TYR 50 2HB TYR 50 -1.040 -7.492 7.091 399 HD1 TYR 50 HD2 TYR 50 -2.056 -5.914 4.840 400 HD2 TYR 50 HD1 TYR 50 -3.579 -6.337 8.787 401 HE1 TYR 50 HE2 TYR 50 -3.105 -3.699 4.661 402 HE2 TYR 50 HE1 TYR 50 -4.637 -4.120 8.622 403 HH TYR 50 HH TYR 50 -4.315 -2.019 7.311 404 H ASP 51 H ASP 51 -1.183 -8.748 3.398 405 HA ASP 51 HA ASP 51 0.620 -10.857 4.166 406 HB2 ASP 51 1HB ASP 51 -0.446 -10.775 1.920 407 HB3 ASP 51 2HB ASP 51 0.471 -9.315 1.565 408 H SER 52 H SER 52 0.639 -7.492 4.182 409 HA SER 52 HA SER 52 3.500 -7.490 4.814 410 HB2 SER 52 1HB SER 52 3.508 -5.128 3.805 411 HB3 SER 52 2HB SER 52 3.438 -6.475 2.670 412 HG SER 52 HG SER 52 1.462 -5.929 2.115 413 H GLU 53 H GLU 53 4.065 -6.253 6.589 414 HA GLU 53 HA GLU 53 1.895 -5.591 8.367 415 HB2 GLU 53 1HB GLU 53 4.884 -5.302 8.710 416 HB3 GLU 53 2HB GLU 53 3.696 -5.029 9.976 417 HG2 GLU 53 1HG GLU 53 2.969 -7.380 9.741 418 HG3 GLU 53 2HG GLU 53 4.265 -7.628 8.571 419 H ILE 54 H ILE 54 1.051 -3.658 8.764 420 HA ILE 54 HA ILE 54 2.245 -1.336 7.415 421 HB ILE 54 HB ILE 54 0.053 -0.289 7.509 422 HG12 ILE 54 1HG1 ILE 54 -0.986 -2.850 8.735 423 HG13 ILE 54 2HG1 ILE 54 -0.602 -1.415 9.680 424 HG21 ILE 54 1HG2 ILE 54 -1.172 -1.794 6.004 425 HG22 ILE 54 2HG2 ILE 54 -0.083 -3.108 6.447 426 HG23 ILE 54 3HG2 ILE 54 0.540 -1.700 5.590 427 HD11 ILE 54 3HD1 ILE 54 -2.277 -0.154 8.432 428 HD12 ILE 54 1HD1 ILE 54 -2.976 -1.561 9.232 429 HD13 ILE 54 2HD1 ILE 54 -2.663 -1.599 7.497 430 H LEU 55 H LEU 55 1.819 0.774 8.514 431 HA LEU 55 HA LEU 55 1.991 2.234 10.222 432 HB2 LEU 55 1HB LEU 55 -0.072 1.205 11.023 433 HB3 LEU 55 2HB LEU 55 0.851 -0.020 11.871 434 HG LEU 55 HG LEU 55 1.784 1.705 13.355 435 HD11 LEU 55 1HD1 LEU 55 0.895 3.977 13.309 436 HD12 LEU 55 2HD1 LEU 55 -0.032 3.591 11.860 437 HD13 LEU 55 3HD1 LEU 55 1.731 3.591 11.805 438 HD21 LEU 55 3HD2 LEU 55 -0.261 0.550 14.004 439 HD22 LEU 55 1HD2 LEU 55 -1.224 1.761 13.156 440 HD23 LEU 55 2HD2 LEU 55 -0.275 2.221 14.570 441 H GLY 56 H GLY 56 4.019 2.732 10.591 442 HA2 GLY 56 1HA GLY 56 5.473 1.659 12.755 443 HA3 GLY 56 2HA GLY 56 6.083 0.976 11.251 444 H VAL 57 H VAL 57 8.036 1.990 11.142 445 HA VAL 57 HA VAL 57 7.932 4.919 10.861 446 HB VAL 57 HB VAL 57 10.309 4.979 11.644 447 HG11 VAL 57 1HG1 VAL 57 9.765 4.801 14.024 448 HG12 VAL 57 2HG1 VAL 57 8.284 3.932 13.617 449 HG13 VAL 57 3HG1 VAL 57 8.486 5.614 13.121 450 HG21 VAL 57 3HG2 VAL 57 10.907 2.651 11.266 451 HG22 VAL 57 1HG2 VAL 57 9.738 2.136 12.481 452 HG23 VAL 57 2HG2 VAL 57 11.149 3.080 12.958 453 H PHE 58 H PHE 58 9.206 5.844 9.249 454 HA PHE 58 HA PHE 58 9.521 4.371 6.884 455 HB2 PHE 58 1HB PHE 58 10.591 7.047 7.754 456 HB3 PHE 58 2HB PHE 58 10.952 6.380 6.169 457 HD1 PHE 58 HD1 PHE 58 9.240 6.210 4.475 458 HD2 PHE 58 HD2 PHE 58 8.374 7.837 8.307 459 HE1 PHE 58 HE1 PHE 58 7.154 7.165 3.592 460 HE2 PHE 58 HE2 PHE 58 6.280 8.791 7.431 461 HZ PHE 58 HZ PHE 58 5.667 8.453 5.068 462 H THR 59 H THR 59 10.861 2.672 6.791 463 HA THR 59 HA THR 59 13.506 2.674 7.924 464 HB THR 59 HB THR 59 12.531 0.792 5.780 465 HG1 THR 59 HG1 THR 59 11.549 1.135 8.350 466 HG21 THR 59 3HG2 THR 59 14.857 0.568 6.486 467 HG22 THR 59 1HG2 THR 59 13.910 -0.829 7.003 468 HG23 THR 59 2HG2 THR 59 14.341 0.424 8.168 469 H GLU 60 H GLU 60 15.482 2.551 6.583 470 HA GLU 60 HA GLU 60 15.628 4.669 4.743 471 HB2 GLU 60 1HB GLU 60 17.527 2.396 5.302 472 HB3 GLU 60 2HB GLU 60 17.911 3.722 4.213 473 HG2 GLU 60 1HG GLU 60 17.868 5.301 5.954 474 HG3 GLU 60 2HG GLU 60 17.095 4.168 7.063 475 H SER 61 H SER 61 14.973 1.297 4.267 476 HA SER 61 HA SER 61 15.351 1.431 1.402 477 HB2 SER 61 1HB SER 61 14.446 -0.929 1.510 478 HB3 SER 61 2HB SER 61 15.911 -0.657 2.452 479 HG SER 61 HG SER 61 13.300 -0.493 3.551 480 HA PRO 62 HA PRO 62 11.247 3.150 0.662 481 HB2 PRO 62 1HB PRO 62 11.826 1.905 -1.987 482 HB3 PRO 62 2HB PRO 62 11.252 3.534 -1.611 483 HG2 PRO 62 1HG PRO 62 13.784 3.117 -2.319 484 HG3 PRO 62 2HG PRO 62 13.371 4.299 -1.062 485 HD2 PRO 62 1HD PRO 62 14.546 1.572 -0.791 486 HD3 PRO 62 2HD PRO 62 14.837 3.030 0.179 487 H GLN 63 H GLN 63 9.414 2.165 1.196 488 HA GLN 63 HA GLN 63 9.319 -0.744 1.093 489 HB2 GLN 63 1HB GLN 63 7.447 1.228 2.409 490 HB3 GLN 63 2HB GLN 63 7.381 -0.519 2.580 491 HG2 GLN 63 1HG GLN 63 9.545 -0.515 3.672 492 HG3 GLN 63 2HG GLN 63 9.660 1.233 3.460 493 HE21 GLN 63 2HE2 GLN 63 9.664 -0.362 5.908 494 HE22 GLN 63 1HE2 GLN 63 8.345 0.238 6.859 495 H THR 64 H THR 64 8.296 -1.770 -0.484 496 HA THR 64 HA THR 64 6.068 -0.429 -1.840 497 HB THR 64 HB THR 64 7.437 -3.012 -2.624 498 HG1 THR 64 HG1 THR 64 8.459 -0.622 -2.710 499 HG21 THR 64 3HG2 THR 64 5.179 -2.753 -3.532 500 HG22 THR 64 1HG2 THR 64 6.387 -2.594 -4.807 501 HG23 THR 64 2HG2 THR 64 5.602 -1.157 -4.151 502 H ILE 65 H ILE 65 4.350 -0.692 -0.518 503 HA ILE 65 HA ILE 65 3.948 -3.263 0.809 504 HB ILE 65 HB ILE 65 2.541 -0.619 1.210 505 HG12 ILE 65 1HG1 ILE 65 4.623 -2.051 2.875 506 HG13 ILE 65 2HG1 ILE 65 4.870 -0.573 1.952 507 HG21 ILE 65 1HG2 ILE 65 1.073 -2.482 1.739 508 HG22 ILE 65 2HG2 ILE 65 1.575 -1.652 3.212 509 HG23 ILE 65 3HG2 ILE 65 2.317 -3.190 2.769 510 HD11 ILE 65 3HD1 ILE 65 4.620 -0.089 4.306 511 HD12 ILE 65 1HD1 ILE 65 3.055 -0.899 4.328 512 HD13 ILE 65 2HD1 ILE 65 3.268 0.580 3.392 513 H ASN 66 H ASN 66 2.776 -4.700 -0.225 514 HA ASN 66 HA ASN 66 0.769 -3.853 -2.152 515 HB2 ASN 66 1HB ASN 66 1.877 -6.580 -1.456 516 HB3 ASN 66 2HB ASN 66 0.616 -6.310 -2.655 517 HD21 ASN 66 2HD2 ASN 66 3.361 -7.384 -2.880 518 HD22 ASN 66 1HD2 ASN 66 4.132 -6.405 -4.082 519 H ILE 67 H ILE 67 -1.093 -3.284 -1.269 520 HA ILE 67 HA ILE 67 -2.214 -4.824 0.956 521 HB ILE 67 HB ILE 67 -3.178 -2.250 -0.318 522 HG12 ILE 67 1HG1 ILE 67 -1.041 -1.980 0.869 523 HG13 ILE 67 2HG1 ILE 67 -2.348 -1.153 1.712 524 HG21 ILE 67 1HG2 ILE 67 -4.999 -3.536 0.683 525 HG22 ILE 67 2HG2 ILE 67 -4.676 -2.061 1.595 526 HG23 ILE 67 3HG2 ILE 67 -4.109 -3.617 2.203 527 HD11 ILE 67 3HD1 ILE 67 -2.488 -2.997 3.303 528 HD12 ILE 67 1HD1 ILE 67 -0.871 -2.294 3.268 529 HD13 ILE 67 2HD1 ILE 67 -1.184 -3.829 2.455 530 H ILE 68 H ILE 68 -4.171 -5.931 0.756 531 HA ILE 68 HA ILE 68 -5.039 -6.331 -2.033 532 HB ILE 68 HB ILE 68 -4.793 -8.379 0.177 533 HG12 ILE 68 1HG1 ILE 68 -3.384 -8.124 -2.491 534 HG13 ILE 68 2HG1 ILE 68 -2.674 -7.765 -0.921 535 HG21 ILE 68 1HG2 ILE 68 -5.562 -10.027 -1.462 536 HG22 ILE 68 2HG2 ILE 68 -5.856 -8.731 -2.624 537 HG23 ILE 68 3HG2 ILE 68 -6.798 -8.812 -1.134 538 HD11 ILE 68 3HD1 ILE 68 -1.955 -9.929 -1.759 539 HD12 ILE 68 1HD1 ILE 68 -3.634 -10.464 -1.839 540 HD13 ILE 68 2HD1 ILE 68 -2.897 -10.102 -0.278 541 H TYR 69 H TYR 69 -7.152 -6.067 -2.437 542 HA TYR 69 HA TYR 69 -9.065 -6.453 -0.237 543 HB2 TYR 69 1HB TYR 69 -9.118 -4.203 -2.267 544 HB3 TYR 69 2HB TYR 69 -10.449 -4.598 -1.190 545 HD1 TYR 69 HD1 TYR 69 -9.510 -4.849 1.401 546 HD2 TYR 69 HD2 TYR 69 -7.936 -2.336 -1.647 547 HE1 TYR 69 HE1 TYR 69 -8.580 -3.358 3.119 548 HE2 TYR 69 HE2 TYR 69 -7.000 -0.839 0.066 549 HH TYR 69 HH TYR 69 -6.705 -1.693 3.290 550 H GLN 70 H GLN 70 -10.302 -8.113 -0.779 551 HA GLN 70 HA GLN 70 -10.620 -8.805 -3.599 552 HB2 GLN 70 1HB GLN 70 -11.458 -10.316 -1.118 553 HB3 GLN 70 2HB GLN 70 -11.568 -10.913 -2.766 554 HG2 GLN 70 1HG GLN 70 -9.106 -10.739 -2.940 555 HG3 GLN 70 2HG GLN 70 -9.062 -10.284 -1.235 556 HE21 GLN 70 2HE2 GLN 70 -7.926 -12.597 -2.604 557 HE22 GLN 70 1HE2 GLN 70 -8.574 -13.987 -1.798 558 H LYS 71 H LYS 71 -12.666 -9.213 -4.522 559 HA LYS 71 HA LYS 71 -14.706 -7.401 -3.844 560 HB2 LYS 71 1HB LYS 71 -15.075 -9.913 -5.478 561 HB3 LYS 71 2HB LYS 71 -15.981 -8.406 -5.593 562 HG2 LYS 71 1HG LYS 71 -13.840 -7.294 -6.264 563 HG3 LYS 71 2HG LYS 71 -13.130 -8.903 -6.387 564 HD2 LYS 71 1HD LYS 71 -14.968 -9.479 -7.995 565 HD3 LYS 71 2HD LYS 71 -15.421 -7.773 -7.980 566 HE2 LYS 71 1HE LYS 71 -12.904 -9.046 -9.000 567 HE3 LYS 71 2HE LYS 71 -14.034 -7.999 -9.855 568 HZ1 LYS 71 3HZ LYS 71 -12.210 -6.651 -9.408 569 HZ2 LYS 71 1HZ LYS 71 -12.002 -7.261 -7.834 570 HZ3 LYS 71 2HZ LYS 71 -13.307 -6.233 -8.184 571 H LYS 72 H LYS 72 -15.987 -7.468 -2.179 572 HA LYS 72 HA LYS 72 -16.139 -9.727 -0.453 573 HB2 LYS 72 1HB LYS 72 -16.226 -7.327 0.272 574 HB3 LYS 72 2HB LYS 72 -17.835 -7.227 -0.427 575 HG2 LYS 72 1HG LYS 72 -18.351 -9.239 1.135 576 HG3 LYS 72 2HG LYS 72 -16.917 -8.688 2.002 577 HD2 LYS 72 1HD LYS 72 -18.909 -7.698 2.967 578 HD3 LYS 72 2HD LYS 72 -17.919 -6.451 2.202 579 HE2 LYS 72 1HE LYS 72 -19.353 -6.475 0.245 580 HE3 LYS 72 2HE LYS 72 -20.302 -7.793 0.929 581 HZ1 LYS 72 3HZ LYS 72 -21.386 -5.643 1.190 582 HZ2 LYS 72 1HZ LYS 72 -20.071 -5.069 2.096 583 HZ3 LYS 72 2HZ LYS 72 -21.028 -6.339 2.692 584 H ALA 73 H ALA 73 -18.073 -8.548 -3.076 585 HA ALA 73 HA ALA 73 -20.114 -10.572 -2.442 586 HB1 ALA 73 3HB ALA 73 -20.659 -7.829 -3.565 587 HB2 ALA 73 1HB ALA 73 -20.967 -8.338 -1.905 588 HB3 ALA 73 2HB ALA 73 -21.856 -9.082 -3.235 589 HA PRO 74 HA PRO 74 -19.111 -11.411 -6.768 590 HB2 PRO 74 1HB PRO 74 -18.748 -14.092 -6.429 591 HB3 PRO 74 2HB PRO 74 -17.465 -12.901 -6.208 592 HG2 PRO 74 1HG PRO 74 -18.830 -14.522 -4.215 593 HG3 PRO 74 2HG PRO 74 -17.362 -13.550 -4.047 594 HD2 PRO 74 1HD PRO 74 -20.091 -12.908 -3.258 595 HD3 PRO 74 2HD PRO 74 -18.583 -12.054 -2.868 596 H GLU 75 H GLU 75 -20.521 -12.156 -8.308 597 HA GLU 75 HA GLU 75 -23.201 -12.718 -7.582 598 HB2 GLU 75 1HB GLU 75 -21.799 -13.088 -10.238 599 HB3 GLU 75 2HB GLU 75 -23.540 -13.116 -9.996 600 HG2 GLU 75 1HG GLU 75 -23.491 -10.792 -9.279 601 HG3 GLU 75 2HG GLU 75 -21.740 -10.759 -9.483 602 H GLN 76 H GLN 76 -24.390 -14.696 -8.312 603 HA GLN 76 HA GLN 76 -22.971 -17.052 -7.410 604 HB2 GLN 76 1HB GLN 76 -25.820 -16.703 -8.362 605 HB3 GLN 76 2HB GLN 76 -25.161 -18.184 -7.687 606 HG2 GLN 76 1HG GLN 76 -24.716 -16.989 -5.576 607 HG3 GLN 76 2HG GLN 76 -25.473 -15.553 -6.262 608 HE21 GLN 76 2HE2 GLN 76 -26.220 -17.121 -3.921 609 HE22 GLN 76 1HE2 GLN 76 -27.851 -17.643 -4.195 610 H ALA 77 H ALA 77 -23.449 -15.476 -10.311 611 HA ALA 77 HA ALA 77 -23.410 -17.805 -12.023 612 HB1 ALA 77 3HB ALA 77 -23.087 -14.882 -12.698 613 HB2 ALA 77 1HB ALA 77 -24.603 -15.782 -12.713 614 HB3 ALA 77 2HB ALA 77 -23.322 -16.193 -13.855 615 H LEU 78 H LEU 78 -21.189 -16.888 -10.055 616 HA LEU 78 HA LEU 78 -19.004 -17.866 -11.629 617 HB2 LEU 78 1HB LEU 78 -19.063 -15.427 -12.212 618 HB3 LEU 78 2HB LEU 78 -18.830 -15.056 -10.515 619 HG LEU 78 HG LEU 78 -16.630 -16.184 -10.587 620 HD11 LEU 78 1HD1 LEU 78 -17.069 -17.761 -12.387 621 HD12 LEU 78 2HD1 LEU 78 -15.654 -16.774 -12.754 622 HD13 LEU 78 3HD1 LEU 78 -17.196 -16.430 -13.538 623 HD21 LEU 78 3HD2 LEU 78 -15.489 -14.472 -11.931 624 HD22 LEU 78 1HD2 LEU 78 -16.758 -13.784 -10.917 625 HD23 LEU 78 2HD2 LEU 78 -17.037 -14.016 -12.643 626 H GLU 79 H GLU 79 -16.988 -17.976 -10.166 627 HA GLU 79 HA GLU 79 -17.749 -18.042 -7.329 628 HB2 GLU 79 1HB GLU 79 -16.233 -20.187 -8.823 629 HB3 GLU 79 2HB GLU 79 -16.383 -20.115 -7.074 630 HG2 GLU 79 1HG GLU 79 -18.848 -20.282 -7.345 631 HG3 GLU 79 2HG GLU 79 -18.590 -20.523 -9.073 632 H HIS 80 H HIS 80 -16.015 -17.782 -5.848 633 HA HIS 80 HA HIS 80 -13.764 -16.282 -6.859 634 HB2 HIS 80 1HB HIS 80 -15.002 -15.999 -4.580 635 HB3 HIS 80 2HB HIS 80 -13.999 -17.341 -4.047 636 HD1 HIS 80 HD1 HIS 80 -14.043 -13.948 -3.595 637 HD2 HIS 80 HD2 HIS 80 -11.093 -16.505 -5.038 638 HE1 HIS 80 HE1 HIS 80 -11.868 -12.717 -3.304 639 HE2 HIS 80 HE2 HIS 80 -10.124 -14.209 -4.359 640 H HIS 81 H HIS 81 -14.561 -19.511 -6.126 641 HA HIS 81 HA HIS 81 -12.119 -20.719 -5.546 642 HB2 HIS 81 1HB HIS 81 -14.535 -21.683 -5.644 643 HB3 HIS 81 2HB HIS 81 -14.177 -21.995 -7.336 644 HD1 HIS 81 HD1 HIS 81 -14.746 -24.175 -5.134 645 HD2 HIS 81 HD2 HIS 81 -10.999 -23.060 -6.555 646 HE1 HIS 81 HE1 HIS 81 -13.238 -26.141 -4.686 647 HE2 HIS 81 HE2 HIS 81 -10.937 -25.338 -5.324 648 H HIS 82 H HIS 82 -13.573 -19.848 -8.632 649 HA HIS 82 HA HIS 82 -10.959 -20.181 -9.912 650 HB2 HIS 82 1HB HIS 82 -12.229 -22.142 -10.569 651 HB3 HIS 82 2HB HIS 82 -13.613 -21.147 -11.008 652 HD1 HIS 82 HD1 HIS 82 -10.161 -22.092 -12.193 653 HD2 HIS 82 HD2 HIS 82 -13.523 -20.041 -13.543 654 HE1 HIS 82 HE1 HIS 82 -9.749 -21.637 -14.634 655 HE2 HIS 82 HE2 HIS 82 -11.665 -20.156 -15.341 656 H HIS 83 H HIS 83 -10.390 -18.186 -10.440 657 HA HIS 83 HA HIS 83 -12.331 -16.126 -11.042 658 HB2 HIS 83 1HB HIS 83 -9.430 -15.755 -11.660 659 HB3 HIS 83 2HB HIS 83 -10.570 -14.625 -10.942 660 HD1 HIS 83 HD1 HIS 83 -8.037 -17.186 -10.124 661 HD2 HIS 83 HD2 HIS 83 -10.854 -14.872 -8.121 662 HE1 HIS 83 HE1 HIS 83 -7.460 -17.377 -7.682 663 HE2 HIS 83 HE2 HIS 83 -8.971 -15.706 -6.553 664 H HIS 84 H HIS 84 -11.322 -14.724 -13.153 665 HA HIS 84 HA HIS 84 -11.672 -16.426 -15.431 666 HB2 HIS 84 1HB HIS 84 -11.017 -13.529 -15.057 667 HB3 HIS 84 2HB HIS 84 -10.718 -14.272 -16.625 668 HD1 HIS 84 HD1 HIS 84 -12.572 -13.082 -17.894 669 HD2 HIS 84 HD2 HIS 84 -13.927 -15.099 -14.516 670 HE1 HIS 84 HE1 HIS 84 -15.084 -13.074 -18.058 671 HE2 HIS 84 HE2 HIS 84 -15.870 -14.461 -16.103 672 H HIS 85 H HIS 85 -9.165 -15.818 -13.346 673 HA HIS 85 HA HIS 85 -7.342 -17.297 -15.101 674 HB2 HIS 85 1HB HIS 85 -6.497 -15.130 -13.156 675 HB3 HIS 85 2HB HIS 85 -5.420 -16.116 -14.136 676 HD1 HIS 85 HD1 HIS 85 -5.493 -15.644 -16.767 677 HD2 HIS 85 HD2 HIS 85 -7.470 -12.886 -14.365 678 HE1 HIS 85 HE1 HIS 85 -5.832 -13.611 -18.209 679 HE2 HIS 85 HE2 HIS 85 -6.847 -11.889 -16.663 Start of MODEL 19 1 H1 MET 1 1H MET 1 22.439 18.890 -1.445 2 H2 MET 1 2H MET 1 23.970 19.488 -1.027 3 H3 MET 1 3H MET 1 23.614 17.851 -0.797 4 HA MET 1 HA MET 1 23.824 19.250 -3.401 5 HB2 MET 1 1HB MET 1 25.539 17.100 -2.131 6 HB3 MET 1 2HB MET 1 25.745 17.730 -3.759 7 HG2 MET 1 1HG MET 1 26.299 19.910 -2.888 8 HG3 MET 1 2HG MET 1 25.987 19.361 -1.243 9 HE1 MET 1 3HE MET 1 27.240 16.413 -1.336 10 HE2 MET 1 1HE MET 1 27.465 17.532 0.009 11 HE3 MET 1 2HE MET 1 28.860 16.738 -0.721 12 H ASP 2 H ASP 2 23.448 16.118 -1.759 13 HA ASP 2 HA ASP 2 22.171 14.938 -4.075 14 HB2 ASP 2 1HB ASP 2 23.097 14.011 -1.425 15 HB3 ASP 2 2HB ASP 2 21.660 13.201 -2.040 16 H PHE 3 H PHE 3 19.995 14.065 -3.987 17 HA PHE 3 HA PHE 3 18.156 15.801 -2.551 18 HB2 PHE 3 1HB PHE 3 17.626 13.484 -4.435 19 HB3 PHE 3 2HB PHE 3 16.398 14.565 -3.783 20 HD1 PHE 3 HD2 PHE 3 16.409 16.968 -4.446 21 HD2 PHE 3 HD1 PHE 3 18.915 14.081 -6.316 22 HE1 PHE 3 HE2 PHE 3 16.744 18.497 -6.342 23 HE2 PHE 3 HE1 PHE 3 19.256 15.607 -8.218 24 HZ PHE 3 HZ PHE 3 18.168 17.815 -8.233 25 H GLY 4 H GLY 4 19.811 12.966 -2.044 26 HA2 GLY 4 1HA GLY 4 19.749 11.757 0.000 27 HA3 GLY 4 2HA GLY 4 18.050 12.193 0.169 28 H LYS 5 H LYS 5 17.599 9.954 0.524 29 HA LYS 5 HA LYS 5 17.381 8.519 -2.036 30 HB2 LYS 5 1HB LYS 5 17.806 7.395 0.736 31 HB3 LYS 5 2HB LYS 5 17.295 6.414 -0.631 32 HG2 LYS 5 1HG LYS 5 19.351 7.025 -1.823 33 HG3 LYS 5 2HG LYS 5 19.867 7.967 -0.423 34 HD2 LYS 5 1HD LYS 5 19.263 5.013 -0.364 35 HD3 LYS 5 2HD LYS 5 20.880 5.695 -0.548 36 HE2 LYS 5 1HE LYS 5 19.049 6.226 1.789 37 HE3 LYS 5 2HE LYS 5 20.338 5.024 1.780 38 HZ1 LYS 5 3HZ LYS 5 21.068 7.073 2.818 39 HZ2 LYS 5 1HZ LYS 5 20.697 7.954 1.416 40 HZ3 LYS 5 2HZ LYS 5 21.936 6.800 1.386 41 HA PRO 6 HA PRO 6 13.052 8.969 -1.281 42 HB2 PRO 6 1HB PRO 6 12.591 6.919 -3.297 43 HB3 PRO 6 2HB PRO 6 12.254 8.649 -3.374 44 HG2 PRO 6 1HG PRO 6 14.196 7.457 -4.848 45 HG3 PRO 6 2HG PRO 6 14.297 9.139 -4.294 46 HD2 PRO 6 1HD PRO 6 15.598 6.687 -3.166 47 HD3 PRO 6 2HD PRO 6 16.269 8.318 -3.386 48 H ASN 7 H ASN 7 13.474 7.829 0.828 49 HA ASN 7 HA ASN 7 12.811 5.028 0.939 50 HB2 ASN 7 1HB ASN 7 12.847 6.997 3.238 51 HB3 ASN 7 2HB ASN 7 12.929 5.242 3.343 52 HD21 ASN 7 2HD2 ASN 7 14.673 8.127 3.058 53 HD22 ASN 7 1HD2 ASN 7 16.246 7.445 2.867 54 H GLN 8 H GLN 8 10.873 5.417 -0.387 55 HA GLN 8 HA GLN 8 8.632 6.577 1.097 56 HB2 GLN 8 1HB GLN 8 7.465 6.635 -1.051 57 HB3 GLN 8 2HB GLN 8 9.013 7.459 -1.157 58 HG2 GLN 8 1HG GLN 8 9.978 5.439 -2.202 59 HG3 GLN 8 2HG GLN 8 8.381 4.694 -2.166 60 HE21 GLN 8 2HE2 GLN 8 8.262 4.506 -4.394 61 HE22 GLN 8 1HE2 GLN 8 8.053 5.877 -5.433 62 H VAL 9 H VAL 9 6.721 5.469 1.392 63 HA VAL 9 HA VAL 9 6.933 2.553 1.239 64 HB VAL 9 HB VAL 9 4.767 4.183 2.577 65 HG11 VAL 9 1HG1 VAL 9 5.649 1.325 2.935 66 HG12 VAL 9 2HG1 VAL 9 4.183 1.867 2.116 67 HG13 VAL 9 3HG1 VAL 9 4.376 2.133 3.849 68 HG21 VAL 9 3HG2 VAL 9 5.961 3.811 4.688 69 HG22 VAL 9 1HG2 VAL 9 6.906 4.788 3.563 70 HG23 VAL 9 2HG2 VAL 9 7.299 3.085 3.795 71 H THR 10 H THR 10 6.076 1.600 -0.492 72 HA THR 10 HA THR 10 4.205 3.084 -2.156 73 HB THR 10 HB THR 10 5.380 0.342 -2.666 74 HG1 THR 10 HG1 THR 10 6.853 2.310 -2.383 75 HG21 THR 10 3HG2 THR 10 4.899 0.865 -5.013 76 HG22 THR 10 1HG2 THR 10 4.201 2.412 -4.528 77 HG23 THR 10 2HG2 THR 10 3.430 0.903 -4.038 78 H VAL 11 H VAL 11 2.165 2.997 -1.461 79 HA VAL 11 HA VAL 11 1.103 0.567 -0.276 80 HB VAL 11 HB VAL 11 -0.257 3.216 -0.806 81 HG11 VAL 11 1HG1 VAL 11 -1.952 2.423 0.777 82 HG12 VAL 11 2HG1 VAL 11 -1.125 0.870 0.877 83 HG13 VAL 11 3HG1 VAL 11 -1.850 1.385 -0.645 84 HG21 VAL 11 3HG2 VAL 11 1.587 3.450 0.769 85 HG22 VAL 11 1HG2 VAL 11 0.945 2.121 1.735 86 HG23 VAL 11 2HG2 VAL 11 0.037 3.628 1.591 87 H ASN 12 H ASN 12 0.566 -0.983 -1.644 88 HA ASN 12 HA ASN 12 -0.617 -0.257 -4.232 89 HB2 ASN 12 1HB ASN 12 0.876 -2.688 -3.277 90 HB3 ASN 12 2HB ASN 12 -0.125 -2.748 -4.723 91 HD21 ASN 12 2HD2 ASN 12 0.444 -0.043 -5.536 92 HD22 ASN 12 1HD2 ASN 12 2.064 -0.042 -6.140 93 H TYR 13 H TYR 13 -2.737 -0.318 -4.292 94 HA TYR 13 HA TYR 13 -4.246 -2.070 -2.530 95 HB2 TYR 13 1HB TYR 13 -5.221 -0.115 -4.631 96 HB3 TYR 13 2HB TYR 13 -6.219 -0.924 -3.430 97 HD1 TYR 13 HD2 TYR 13 -3.714 1.718 -3.976 98 HD2 TYR 13 HD1 TYR 13 -6.280 -0.151 -1.143 99 HE1 TYR 13 HE2 TYR 13 -3.378 3.603 -2.433 100 HE2 TYR 13 HE1 TYR 13 -5.951 1.728 0.404 101 HH TYR 13 HH TYR 13 -4.364 3.511 0.844 102 H LEU 14 H LEU 14 -4.297 -4.150 -3.181 103 HA LEU 14 HA LEU 14 -4.390 -4.671 -6.082 104 HB2 LEU 14 1HB LEU 14 -3.271 -6.402 -3.880 105 HB3 LEU 14 2HB LEU 14 -3.279 -6.801 -5.588 106 HG LEU 14 HG LEU 14 -1.749 -4.546 -4.291 107 HD11 LEU 14 1HD1 LEU 14 0.217 -5.830 -4.963 108 HD12 LEU 14 2HD1 LEU 14 -0.828 -7.110 -5.580 109 HD13 LEU 14 3HD1 LEU 14 -0.804 -6.746 -3.854 110 HD21 LEU 14 3HD2 LEU 14 -0.794 -4.169 -6.501 111 HD22 LEU 14 1HD2 LEU 14 -2.541 -3.927 -6.514 112 HD23 LEU 14 2HD2 LEU 14 -1.852 -5.408 -7.177 113 H ASP 15 H ASP 15 -5.371 -6.706 -6.729 114 HA ASP 15 HA ASP 15 -7.866 -7.229 -5.330 115 HB2 ASP 15 1HB ASP 15 -8.470 -8.499 -7.340 116 HB3 ASP 15 2HB ASP 15 -7.862 -6.911 -7.793 117 H GLU 16 H GLU 16 -5.136 -9.036 -6.609 118 HA GLU 16 HA GLU 16 -4.449 -10.621 -4.501 119 HB2 GLU 16 1HB GLU 16 -6.736 -11.577 -4.551 120 HB3 GLU 16 2HB GLU 16 -6.493 -12.054 -6.226 121 HG2 GLU 16 1HG GLU 16 -4.723 -13.569 -5.569 122 HG3 GLU 16 2HG GLU 16 -4.879 -13.054 -3.891 123 H ASN 17 H ASN 17 -5.151 -10.512 -7.929 124 HA ASN 17 HA ASN 17 -2.784 -12.087 -8.590 125 HB2 ASN 17 1HB ASN 17 -5.051 -10.949 -10.211 126 HB3 ASN 17 2HB ASN 17 -3.588 -11.535 -10.989 127 HD21 ASN 17 2HD2 ASN 17 -4.954 -12.964 -8.098 128 HD22 ASN 17 1HD2 ASN 17 -5.443 -14.446 -8.840 129 H ASN 18 H ASN 18 -2.847 -9.299 -7.384 130 HA ASN 18 HA ASN 18 -1.500 -7.478 -7.404 131 HB2 ASN 18 1HB ASN 18 -0.080 -9.113 -9.502 132 HB3 ASN 18 2HB ASN 18 0.477 -7.509 -9.034 133 HD21 ASN 18 2HD2 ASN 18 -0.005 -10.794 -7.978 134 HD22 ASN 18 1HD2 ASN 18 0.993 -10.698 -6.566 135 H THR 19 H THR 19 -3.927 -7.494 -8.845 136 HA THR 19 HA THR 19 -3.395 -5.665 -11.066 137 HB THR 19 HB THR 19 -6.062 -6.648 -10.024 138 HG1 THR 19 HG1 THR 19 -5.523 -8.474 -10.923 139 HG21 THR 19 3HG2 THR 19 -5.274 -5.410 -12.667 140 HG22 THR 19 1HG2 THR 19 -6.198 -4.622 -11.388 141 HG23 THR 19 2HG2 THR 19 -6.881 -6.001 -12.248 142 H SER 20 H SER 20 -3.176 -3.577 -10.582 143 HA SER 20 HA SER 20 -3.817 -2.493 -8.050 144 HB2 SER 20 1HB SER 20 -3.243 -0.989 -10.614 145 HB3 SER 20 2HB SER 20 -3.073 -0.378 -8.967 146 HG SER 20 HG SER 20 -1.162 -1.338 -10.271 147 H ILE 21 H ILE 21 -5.951 -2.605 -7.525 148 HA ILE 21 HA ILE 21 -8.021 -1.765 -9.331 149 HB ILE 21 HB ILE 21 -9.531 -1.951 -7.375 150 HG12 ILE 21 1HG1 ILE 21 -7.018 -2.755 -5.888 151 HG13 ILE 21 2HG1 ILE 21 -7.922 -1.267 -5.633 152 HG21 ILE 21 1HG2 ILE 21 -7.690 -4.299 -7.806 153 HG22 ILE 21 2HG2 ILE 21 -9.102 -3.884 -8.778 154 HG23 ILE 21 3HG2 ILE 21 -9.303 -4.378 -7.097 155 HD11 ILE 21 3HD1 ILE 21 -8.407 -2.916 -3.916 156 HD12 ILE 21 1HD1 ILE 21 -8.949 -4.054 -5.150 157 HD13 ILE 21 2HD1 ILE 21 -9.842 -2.556 -4.875 158 H ALA 22 H ALA 22 -5.947 -0.277 -7.070 159 HA ALA 22 HA ALA 22 -7.158 2.316 -7.690 160 HB1 ALA 22 3HB ALA 22 -7.859 1.733 -5.415 161 HB2 ALA 22 1HB ALA 22 -6.736 3.094 -5.405 162 HB3 ALA 22 2HB ALA 22 -6.175 1.484 -4.956 163 HA PRO 23 HA PRO 23 -3.095 3.484 -8.924 164 HB2 PRO 23 1HB PRO 23 -2.943 6.030 -7.843 165 HB3 PRO 23 2HB PRO 23 -3.713 5.625 -9.381 166 HG2 PRO 23 1HG PRO 23 -4.948 6.042 -6.691 167 HG3 PRO 23 2HG PRO 23 -5.534 6.548 -8.288 168 HD2 PRO 23 1HD PRO 23 -6.573 4.424 -7.030 169 HD3 PRO 23 2HD PRO 23 -6.353 4.435 -8.793 170 H SER 24 H SER 24 -0.986 3.634 -8.180 171 HA SER 24 HA SER 24 -0.487 2.597 -5.603 172 HB2 SER 24 1HB SER 24 1.945 3.161 -6.258 173 HB3 SER 24 2HB SER 24 1.069 2.008 -7.265 174 HG SER 24 HG SER 24 2.292 3.886 -8.276 175 H LEU 25 H LEU 25 -0.605 3.674 -3.765 176 HA LEU 25 HA LEU 25 -0.288 6.565 -3.737 177 HB2 LEU 25 1HB LEU 25 -2.159 5.611 -2.520 178 HB3 LEU 25 2HB LEU 25 -1.077 4.597 -1.588 179 HG LEU 25 HG LEU 25 -0.104 6.617 -0.548 180 HD11 LEU 25 1HD1 LEU 25 -1.227 8.768 -0.817 181 HD12 LEU 25 2HD1 LEU 25 -2.278 8.072 -2.050 182 HD13 LEU 25 3HD1 LEU 25 -0.544 8.207 -2.343 183 HD21 LEU 25 3HD2 LEU 25 -3.101 6.388 -0.312 184 HD22 LEU 25 1HD2 LEU 25 -2.026 7.143 0.865 185 HD23 LEU 25 2HD2 LEU 25 -1.914 5.411 0.551 186 H TYR 26 H TYR 26 1.658 7.408 -3.474 187 HA TYR 26 HA TYR 26 3.770 5.781 -2.314 188 HB2 TYR 26 1HB TYR 26 3.938 8.481 -3.667 189 HB3 TYR 26 2HB TYR 26 5.304 7.475 -3.189 190 HD1 TYR 26 HD2 TYR 26 5.124 4.965 -4.145 191 HD2 TYR 26 HD1 TYR 26 3.323 8.404 -5.889 192 HE1 TYR 26 HE2 TYR 26 5.027 3.809 -6.311 193 HE2 TYR 26 HE1 TYR 26 3.216 7.253 -8.059 194 HH TYR 26 HH TYR 26 4.480 5.354 -9.200 195 H LEU 27 H LEU 27 3.501 5.794 -0.178 196 HA LEU 27 HA LEU 27 3.004 8.238 1.286 197 HB2 LEU 27 1HB LEU 27 1.936 6.166 1.983 198 HB3 LEU 27 2HB LEU 27 3.496 5.389 2.160 199 HG LEU 27 HG LEU 27 4.027 6.904 4.033 200 HD11 LEU 27 1HD1 LEU 27 2.259 8.269 5.016 201 HD12 LEU 27 2HD1 LEU 27 1.197 7.870 3.665 202 HD13 LEU 27 3HD1 LEU 27 2.663 8.812 3.387 203 HD21 LEU 27 3HD2 LEU 27 1.423 5.409 4.305 204 HD22 LEU 27 1HD2 LEU 27 2.473 5.906 5.634 205 HD23 LEU 27 2HD2 LEU 27 3.040 4.721 4.457 206 H SER 28 H SER 28 4.772 9.543 1.118 207 HA SER 28 HA SER 28 7.321 8.431 2.078 208 HB2 SER 28 1HB SER 28 7.330 9.093 -0.338 209 HB3 SER 28 2HB SER 28 6.965 10.746 0.156 210 HG SER 28 HG SER 28 8.947 10.959 0.988 211 H GLY 29 H GLY 29 8.514 9.655 3.526 212 HA2 GLY 29 1HA GLY 29 7.523 12.243 4.389 213 HA3 GLY 29 2HA GLY 29 7.376 10.948 5.570 214 H LEU 30 H LEU 30 8.876 11.437 7.060 215 HA LEU 30 HA LEU 30 11.560 12.195 6.155 216 HB2 LEU 30 1HB LEU 30 10.318 12.229 8.908 217 HB3 LEU 30 2HB LEU 30 11.964 12.715 8.553 218 HG LEU 30 HG LEU 30 9.475 14.063 7.501 219 HD11 LEU 30 1HD1 LEU 30 9.792 14.431 9.886 220 HD12 LEU 30 2HD1 LEU 30 10.122 15.903 8.973 221 HD13 LEU 30 3HD1 LEU 30 11.458 14.936 9.598 222 HD21 LEU 30 3HD2 LEU 30 11.341 14.206 5.933 223 HD22 LEU 30 1HD2 LEU 30 12.384 14.812 7.220 224 HD23 LEU 30 2HD2 LEU 30 11.011 15.773 6.673 225 H PHE 31 H PHE 31 13.426 11.157 7.148 226 HA PHE 31 HA PHE 31 13.187 8.324 7.148 227 HB2 PHE 31 1HB PHE 31 15.220 9.486 6.362 228 HB3 PHE 31 2HB PHE 31 15.522 10.056 7.999 229 HD1 PHE 31 HD2 PHE 31 15.137 6.953 5.998 230 HD2 PHE 31 HD1 PHE 31 16.788 8.781 9.468 231 HE1 PHE 31 HE2 PHE 31 16.399 4.897 6.476 232 HE2 PHE 31 HE1 PHE 31 18.053 6.728 9.953 233 HZ PHE 31 HZ PHE 31 17.858 4.782 8.456 234 H ASN 32 H ASN 32 13.083 6.903 8.796 235 HA ASN 32 HA ASN 32 12.775 6.043 10.872 236 HB2 ASN 32 1HB ASN 32 15.003 7.164 11.301 237 HB3 ASN 32 2HB ASN 32 14.111 8.530 11.963 238 HD21 ASN 32 2HD2 ASN 32 14.957 8.304 14.014 239 HD22 ASN 32 1HD2 ASN 32 14.533 6.992 15.057 240 H GLU 33 H GLU 33 10.958 8.124 9.606 241 HA GLU 33 HA GLU 33 9.579 9.172 11.958 242 HB2 GLU 33 1HB GLU 33 9.838 10.690 10.072 243 HB3 GLU 33 2HB GLU 33 9.084 9.528 8.992 244 HG2 GLU 33 1HG GLU 33 6.977 9.772 10.218 245 HG3 GLU 33 2HG GLU 33 7.740 10.960 11.274 246 H ALA 34 H ALA 34 7.634 8.396 12.685 247 HA ALA 34 HA ALA 34 6.782 5.826 11.684 248 HB1 ALA 34 3HB ALA 34 5.146 5.881 13.491 249 HB2 ALA 34 1HB ALA 34 5.553 7.564 13.825 250 HB3 ALA 34 2HB ALA 34 6.751 6.299 14.091 251 H TYR 35 H TYR 35 4.962 5.387 10.522 252 HA TYR 35 HA TYR 35 3.484 7.725 9.507 253 HB2 TYR 35 1HB TYR 35 3.458 6.644 7.275 254 HB3 TYR 35 2HB TYR 35 5.089 7.036 7.810 255 HD1 TYR 35 HD2 TYR 35 6.637 5.253 8.481 256 HD2 TYR 35 HD1 TYR 35 2.755 4.357 6.993 257 HE1 TYR 35 HE2 TYR 35 7.311 2.917 8.139 258 HE2 TYR 35 HE1 TYR 35 3.417 2.020 6.649 259 HH TYR 35 HH TYR 35 5.904 0.833 6.269 260 H ASN 36 H ASN 36 1.354 7.312 8.765 261 HA ASN 36 HA ASN 36 0.184 4.823 9.809 262 HB2 ASN 36 1HB ASN 36 -0.631 6.889 10.925 263 HB3 ASN 36 2HB ASN 36 -1.186 7.490 9.365 264 HD21 ASN 36 2HD2 ASN 36 -3.305 7.610 10.153 265 HD22 ASN 36 1HD2 ASN 36 -4.275 6.188 10.354 266 H VAL 37 H VAL 37 -1.224 3.670 8.479 267 HA VAL 37 HA VAL 37 -0.838 4.276 5.635 268 HB VAL 37 HB VAL 37 -1.626 1.661 6.929 269 HG11 VAL 37 1HG1 VAL 37 -2.479 1.866 4.652 270 HG12 VAL 37 2HG1 VAL 37 -1.176 0.680 4.728 271 HG13 VAL 37 3HG1 VAL 37 -0.867 2.289 4.076 272 HG21 VAL 37 3HG2 VAL 37 0.649 0.936 6.367 273 HG22 VAL 37 1HG2 VAL 37 0.656 2.294 7.493 274 HG23 VAL 37 2HG2 VAL 37 1.018 2.560 5.787 275 HA PRO 38 HA PRO 38 -5.220 5.264 5.631 276 HB2 PRO 38 1HB PRO 38 -4.795 6.031 2.858 277 HB3 PRO 38 2HB PRO 38 -5.200 7.051 4.239 278 HG2 PRO 38 1HG PRO 38 -2.789 7.136 2.986 279 HG3 PRO 38 2HG PRO 38 -3.006 7.518 4.704 280 HD2 PRO 38 1HD PRO 38 -2.002 4.999 3.433 281 HD3 PRO 38 2HD PRO 38 -1.420 5.838 4.888 282 H MET 39 H MET 39 -6.361 3.409 5.574 283 HA MET 39 HA MET 39 -6.156 1.639 3.265 284 HB2 MET 39 1HB MET 39 -6.211 0.721 5.581 285 HB3 MET 39 2HB MET 39 -7.842 1.354 5.760 286 HG2 MET 39 1HG MET 39 -8.596 -0.075 3.926 287 HG3 MET 39 2HG MET 39 -6.962 -0.716 3.760 288 HE1 MET 39 3HE MET 39 -6.127 -0.817 6.883 289 HE2 MET 39 1HE MET 39 -5.730 -2.094 5.733 290 HE3 MET 39 2HE MET 39 -6.513 -2.496 7.263 291 H LYS 40 H LYS 40 -7.699 1.404 1.745 292 HA LYS 40 HA LYS 40 -10.004 3.225 1.899 293 HB2 LYS 40 1HB LYS 40 -8.550 2.095 -0.500 294 HB3 LYS 40 2HB LYS 40 -10.032 3.033 -0.600 295 HG2 LYS 40 1HG LYS 40 -8.925 4.975 0.283 296 HG3 LYS 40 2HG LYS 40 -7.451 4.045 0.573 297 HD2 LYS 40 1HD LYS 40 -7.189 3.670 -1.812 298 HD3 LYS 40 2HD LYS 40 -8.708 4.506 -2.133 299 HE2 LYS 40 1HE LYS 40 -6.301 5.779 -0.838 300 HE3 LYS 40 2HE LYS 40 -6.674 5.879 -2.558 301 HZ1 LYS 40 3HZ LYS 40 -8.274 6.963 -0.305 302 HZ2 LYS 40 1HZ LYS 40 -8.841 6.880 -1.903 303 HZ3 LYS 40 2HZ LYS 40 -7.491 7.835 -1.533 304 H LYS 41 H LYS 41 -12.052 2.462 1.332 305 HA LYS 41 HA LYS 41 -12.266 -0.469 1.118 306 HB2 LYS 41 1HB LYS 41 -13.447 0.759 3.020 307 HB3 LYS 41 2HB LYS 41 -14.506 1.439 1.792 308 HG2 LYS 41 1HG LYS 41 -15.316 -0.729 1.195 309 HG3 LYS 41 2HG LYS 41 -14.126 -1.512 2.236 310 HD2 LYS 41 1HD LYS 41 -15.173 -0.418 4.191 311 HD3 LYS 41 2HD LYS 41 -16.400 0.262 3.121 312 HE2 LYS 41 1HE LYS 41 -17.127 -1.974 2.503 313 HE3 LYS 41 2HE LYS 41 -15.867 -2.679 3.514 314 HZ1 LYS 41 3HZ LYS 41 -18.017 -2.687 4.618 315 HZ2 LYS 41 1HZ LYS 41 -18.116 -0.997 4.487 316 HZ3 LYS 41 2HZ LYS 41 -16.915 -1.709 5.456 317 H ILE 42 H ILE 42 -12.261 -0.994 -0.970 318 HA ILE 42 HA ILE 42 -13.148 0.974 -2.909 319 HB ILE 42 HB ILE 42 -11.722 -1.652 -3.345 320 HG12 ILE 42 1HG1 ILE 42 -10.367 -0.050 -2.076 321 HG13 ILE 42 2HG1 ILE 42 -9.722 -0.271 -3.698 322 HG21 ILE 42 1HG2 ILE 42 -12.238 0.631 -5.246 323 HG22 ILE 42 2HG2 ILE 42 -12.974 -0.971 -5.313 324 HG23 ILE 42 3HG2 ILE 42 -11.242 -0.784 -5.587 325 HD11 ILE 42 3HD1 ILE 42 -10.758 1.833 -4.388 326 HD12 ILE 42 1HD1 ILE 42 -9.646 2.057 -3.038 327 HD13 ILE 42 2HD1 ILE 42 -11.387 2.051 -2.755 328 H LYS 43 H LYS 43 -15.339 0.899 -3.005 329 HA LYS 43 HA LYS 43 -17.283 0.352 -4.021 330 HB2 LYS 43 1HB LYS 43 -15.365 -0.096 -5.805 331 HB3 LYS 43 2HB LYS 43 -15.964 -1.743 -5.664 332 HG2 LYS 43 1HG LYS 43 -18.246 -0.874 -6.159 333 HG3 LYS 43 2HG LYS 43 -17.512 0.696 -6.487 334 HD2 LYS 43 1HD LYS 43 -16.082 -0.408 -8.201 335 HD3 LYS 43 2HD LYS 43 -16.995 -1.895 -7.937 336 HE2 LYS 43 1HE LYS 43 -18.016 0.735 -8.988 337 HE3 LYS 43 2HE LYS 43 -17.924 -0.804 -9.843 338 HZ1 LYS 43 3HZ LYS 43 -19.702 -0.143 -7.557 339 HZ2 LYS 43 1HZ LYS 43 -19.554 -1.692 -8.230 340 HZ3 LYS 43 2HZ LYS 43 -20.166 -0.416 -9.163 341 H GLY 44 H GLY 44 -16.691 -1.147 -1.616 342 HA2 GLY 44 1HA GLY 44 -17.954 -2.717 -0.459 343 HA3 GLY 44 2HA GLY 44 -18.709 -3.182 -1.976 344 H TYR 45 H TYR 45 -15.303 -3.153 -1.026 345 HA TYR 45 HA TYR 45 -15.224 -6.048 -1.525 346 HB2 TYR 45 1HB TYR 45 -13.229 -3.867 -1.977 347 HB3 TYR 45 2HB TYR 45 -12.640 -5.484 -1.612 348 HD1 TYR 45 HD2 TYR 45 -15.461 -4.228 -3.736 349 HD2 TYR 45 HD1 TYR 45 -11.858 -6.478 -3.531 350 HE1 TYR 45 HE2 TYR 45 -15.741 -4.878 -6.089 351 HE2 TYR 45 HE1 TYR 45 -12.128 -7.134 -5.884 352 HH TYR 45 HH TYR 45 -14.207 -5.625 -7.990 353 H THR 46 H THR 46 -13.611 -7.241 -0.207 354 HA THR 46 HA THR 46 -13.584 -6.215 2.558 355 HB THR 46 HB THR 46 -13.700 -9.091 1.606 356 HG1 THR 46 HG1 THR 46 -15.818 -8.738 2.919 357 HG21 THR 46 3HG2 THR 46 -14.060 -9.647 3.964 358 HG22 THR 46 1HG2 THR 46 -13.839 -7.952 4.399 359 HG23 THR 46 2HG2 THR 46 -12.494 -8.871 3.721 360 H LEU 47 H LEU 47 -11.623 -6.279 3.668 361 HA LEU 47 HA LEU 47 -9.271 -6.447 2.065 362 HB2 LEU 47 1HB LEU 47 -9.463 -4.953 4.032 363 HB3 LEU 47 2HB LEU 47 -9.495 -6.364 5.073 364 HG LEU 47 HG LEU 47 -7.223 -6.968 4.244 365 HD11 LEU 47 1HD1 LEU 47 -7.351 -4.243 2.964 366 HD12 LEU 47 2HD1 LEU 47 -7.309 -5.790 2.115 367 HD13 LEU 47 3HD1 LEU 47 -5.921 -5.271 3.073 368 HD21 LEU 47 3HD2 LEU 47 -7.485 -5.811 6.357 369 HD22 LEU 47 1HD2 LEU 47 -7.511 -4.256 5.525 370 HD23 LEU 47 2HD2 LEU 47 -6.045 -5.235 5.517 371 H LEU 48 H LEU 48 -8.140 -8.183 1.546 372 HA LEU 48 HA LEU 48 -8.755 -10.725 2.797 373 HB2 LEU 48 1HB LEU 48 -8.500 -10.633 0.378 374 HB3 LEU 48 2HB LEU 48 -6.879 -9.987 0.548 375 HG LEU 48 HG LEU 48 -6.166 -12.115 1.593 376 HD11 LEU 48 1HD1 LEU 48 -8.310 -12.815 2.508 377 HD12 LEU 48 2HD1 LEU 48 -7.632 -14.065 1.464 378 HD13 LEU 48 3HD1 LEU 48 -8.944 -13.042 0.878 379 HD21 LEU 48 3HD2 LEU 48 -5.852 -11.751 -0.794 380 HD22 LEU 48 1HD2 LEU 48 -7.465 -12.393 -1.114 381 HD23 LEU 48 2HD2 LEU 48 -6.210 -13.446 -0.459 382 H LYS 49 H LYS 49 -5.974 -8.582 2.393 383 HA LYS 49 HA LYS 49 -4.749 -9.120 4.830 384 HB2 LYS 49 1HB LYS 49 -4.388 -11.392 4.122 385 HB3 LYS 49 2HB LYS 49 -3.786 -10.868 2.557 386 HG2 LYS 49 1HG LYS 49 -1.820 -9.885 3.660 387 HG3 LYS 49 2HG LYS 49 -2.421 -10.466 5.213 388 HD2 LYS 49 1HD LYS 49 -2.226 -12.749 4.505 389 HD3 LYS 49 2HD LYS 49 -1.842 -12.253 2.857 390 HE2 LYS 49 1HE LYS 49 0.160 -12.966 4.066 391 HE3 LYS 49 2HE LYS 49 0.246 -11.263 3.623 392 HZ1 LYS 49 3HZ LYS 49 0.966 -11.882 5.950 393 HZ2 LYS 49 1HZ LYS 49 -0.672 -12.147 6.298 394 HZ3 LYS 49 2HZ LYS 49 -0.140 -10.609 5.823 395 H TYR 50 H TYR 50 -3.246 -7.566 5.139 396 HA TYR 50 HA TYR 50 -2.026 -6.335 2.789 397 HB2 TYR 50 1HB TYR 50 -1.004 -4.760 4.536 398 HB3 TYR 50 2HB TYR 50 -2.734 -4.638 4.264 399 HD1 TYR 50 HD2 TYR 50 -4.312 -5.508 5.964 400 HD2 TYR 50 HD1 TYR 50 -0.120 -5.405 6.666 401 HE1 TYR 50 HE2 TYR 50 -4.719 -5.752 8.375 402 HE2 TYR 50 HE1 TYR 50 -0.513 -5.645 9.081 403 HH TYR 50 HH TYR 50 -2.244 -5.286 10.719 404 H ASP 51 H ASP 51 -0.207 -7.147 2.064 405 HA ASP 51 HA ASP 51 1.104 -9.235 3.573 406 HB2 ASP 51 1HB ASP 51 0.548 -9.341 1.107 407 HB3 ASP 51 2HB ASP 51 1.850 -8.187 0.841 408 H SER 52 H SER 52 1.453 -6.851 4.838 409 HA SER 52 HA SER 52 4.309 -6.712 5.039 410 HB2 SER 52 1HB SER 52 2.798 -4.197 4.255 411 HB3 SER 52 2HB SER 52 4.512 -4.296 4.652 412 HG SER 52 HG SER 52 4.069 -6.073 2.756 413 H GLU 53 H GLU 53 4.839 -5.012 6.835 414 HA GLU 53 HA GLU 53 2.660 -5.083 8.800 415 HB2 GLU 53 1HB GLU 53 5.647 -4.863 9.203 416 HB3 GLU 53 2HB GLU 53 4.463 -4.724 10.498 417 HG2 GLU 53 1HG GLU 53 3.655 -6.998 9.930 418 HG3 GLU 53 2HG GLU 53 4.967 -7.127 8.762 419 H ILE 54 H ILE 54 1.784 -3.251 9.492 420 HA ILE 54 HA ILE 54 2.739 -0.799 8.199 421 HB ILE 54 HB ILE 54 0.470 0.071 8.557 422 HG12 ILE 54 1HG1 ILE 54 -0.127 -2.680 9.679 423 HG13 ILE 54 2HG1 ILE 54 -0.049 -1.193 10.618 424 HG21 ILE 54 1HG2 ILE 54 0.981 -1.095 6.486 425 HG22 ILE 54 2HG2 ILE 54 -0.687 -1.400 6.967 426 HG23 ILE 54 3HG2 ILE 54 0.544 -2.636 7.226 427 HD11 ILE 54 3HD1 ILE 54 -1.953 -0.310 9.371 428 HD12 ILE 54 1HD1 ILE 54 -2.344 -1.832 10.171 429 HD13 ILE 54 2HD1 ILE 54 -2.029 -1.803 8.436 430 H LEU 55 H LEU 55 2.042 1.239 9.459 431 HA LEU 55 HA LEU 55 2.201 2.629 11.239 432 HB2 LEU 55 1HB LEU 55 0.501 1.016 12.158 433 HB3 LEU 55 2HB LEU 55 1.816 0.180 12.959 434 HG LEU 55 HG LEU 55 2.318 2.235 14.242 435 HD11 LEU 55 1HD1 LEU 55 0.710 4.076 14.235 436 HD12 LEU 55 2HD1 LEU 55 -0.174 3.301 12.920 437 HD13 LEU 55 3HD1 LEU 55 1.472 3.880 12.656 438 HD21 LEU 55 3HD2 LEU 55 -0.535 1.284 14.443 439 HD22 LEU 55 1HD2 LEU 55 0.366 2.124 15.704 440 HD23 LEU 55 2HD2 LEU 55 0.869 0.516 15.183 441 H GLY 56 H GLY 56 4.543 1.184 10.146 442 HA2 GLY 56 1HA GLY 56 6.317 1.097 12.473 443 HA3 GLY 56 2HA GLY 56 6.717 0.558 10.847 444 H VAL 57 H VAL 57 8.648 1.760 10.876 445 HA VAL 57 HA VAL 57 8.240 4.660 10.563 446 HB VAL 57 HB VAL 57 10.595 4.983 11.253 447 HG11 VAL 57 1HG1 VAL 57 8.892 3.544 13.287 448 HG12 VAL 57 2HG1 VAL 57 8.814 5.261 12.888 449 HG13 VAL 57 3HG1 VAL 57 10.260 4.598 13.649 450 HG21 VAL 57 3HG2 VAL 57 10.497 2.049 11.955 451 HG22 VAL 57 1HG2 VAL 57 11.799 3.162 12.372 452 HG23 VAL 57 2HG2 VAL 57 11.472 2.782 10.682 453 H PHE 58 H PHE 58 9.551 5.706 8.963 454 HA PHE 58 HA PHE 58 9.858 4.269 6.562 455 HB2 PHE 58 1HB PHE 58 10.908 6.966 7.418 456 HB3 PHE 58 2HB PHE 58 11.122 6.324 5.793 457 HD1 PHE 58 HD2 PHE 58 9.199 6.013 4.319 458 HD2 PHE 58 HD1 PHE 58 8.793 7.801 8.157 459 HE1 PHE 58 HE2 PHE 58 6.993 6.888 3.676 460 HE2 PHE 58 HE1 PHE 58 6.586 8.680 7.520 461 HZ PHE 58 HZ PHE 58 5.683 8.222 5.276 462 H THR 59 H THR 59 11.277 2.721 6.250 463 HA THR 59 HA THR 59 13.736 2.560 7.728 464 HB THR 59 HB THR 59 14.021 0.461 6.266 465 HG1 THR 59 HG1 THR 59 12.391 1.270 4.700 466 HG21 THR 59 3HG2 THR 59 12.392 -0.799 7.608 467 HG22 THR 59 1HG2 THR 59 11.613 0.714 8.074 468 HG23 THR 59 2HG2 THR 59 13.265 0.378 8.589 469 H GLU 60 H GLU 60 15.646 1.605 6.239 470 HA GLU 60 HA GLU 60 16.518 3.864 4.673 471 HB2 GLU 60 1HB GLU 60 17.871 1.207 5.175 472 HB3 GLU 60 2HB GLU 60 18.631 2.634 4.485 473 HG2 GLU 60 1HG GLU 60 18.279 3.838 6.574 474 HG3 GLU 60 2HG GLU 60 17.509 2.410 7.266 475 H SER 61 H SER 61 14.395 1.751 3.761 476 HA SER 61 HA SER 61 15.304 1.695 1.004 477 HB2 SER 61 1HB SER 61 14.398 -0.831 2.413 478 HB3 SER 61 2HB SER 61 14.904 -0.689 0.729 479 HG SER 61 HG SER 61 16.870 0.314 2.119 480 HA PRO 62 HA PRO 62 11.050 2.716 0.251 481 HB2 PRO 62 1HB PRO 62 11.387 1.175 -2.261 482 HB3 PRO 62 2HB PRO 62 10.896 2.857 -2.029 483 HG2 PRO 62 1HG PRO 62 13.325 2.250 -2.954 484 HG3 PRO 62 2HG PRO 62 13.079 3.608 -1.839 485 HD2 PRO 62 1HD PRO 62 14.161 0.874 -1.290 486 HD3 PRO 62 2HD PRO 62 14.676 2.443 -0.639 487 H GLN 63 H GLN 63 9.422 1.695 1.195 488 HA GLN 63 HA GLN 63 9.386 -1.209 1.313 489 HB2 GLN 63 1HB GLN 63 7.470 0.750 2.585 490 HB3 GLN 63 2HB GLN 63 7.686 -0.944 3.003 491 HG2 GLN 63 1HG GLN 63 9.927 -0.471 3.819 492 HG3 GLN 63 2HG GLN 63 9.745 1.223 3.362 493 HE21 GLN 63 2HE2 GLN 63 10.281 0.129 5.977 494 HE22 GLN 63 1HE2 GLN 63 8.974 0.630 6.997 495 H THR 64 H THR 64 7.499 -2.446 0.767 496 HA THR 64 HA THR 64 5.616 -1.089 -1.041 497 HB THR 64 HB THR 64 6.756 -3.855 -1.505 498 HG1 THR 64 HG1 THR 64 7.632 -1.336 -2.243 499 HG21 THR 64 3HG2 THR 64 5.663 -3.669 -3.691 500 HG22 THR 64 1HG2 THR 64 5.026 -2.086 -3.242 501 HG23 THR 64 2HG2 THR 64 4.488 -3.530 -2.384 502 H ILE 65 H ILE 65 3.849 -1.066 0.272 503 HA ILE 65 HA ILE 65 3.183 -3.470 1.789 504 HB ILE 65 HB ILE 65 1.833 -0.763 1.786 505 HG12 ILE 65 1HG1 ILE 65 3.702 -2.076 3.774 506 HG13 ILE 65 2HG1 ILE 65 4.066 -0.679 2.767 507 HG21 ILE 65 1HG2 ILE 65 0.263 -2.542 2.331 508 HG22 ILE 65 2HG2 ILE 65 0.635 -1.588 3.766 509 HG23 ILE 65 3HG2 ILE 65 1.376 -3.173 3.545 510 HD11 ILE 65 3HD1 ILE 65 2.008 -0.789 4.961 511 HD12 ILE 65 1HD1 ILE 65 2.366 0.613 3.951 512 HD13 ILE 65 2HD1 ILE 65 3.592 -0.018 5.051 513 H ASN 66 H ASN 66 2.252 -4.965 0.593 514 HA ASN 66 HA ASN 66 0.432 -4.271 -1.549 515 HB2 ASN 66 1HB ASN 66 1.348 -6.959 -0.501 516 HB3 ASN 66 2HB ASN 66 0.283 -6.741 -1.885 517 HD21 ASN 66 2HD2 ASN 66 3.522 -6.582 -0.714 518 HD22 ASN 66 1HD2 ASN 66 4.277 -6.276 -2.238 519 H ILE 67 H ILE 67 -1.418 -3.460 -0.714 520 HA ILE 67 HA ILE 67 -2.794 -4.933 1.400 521 HB ILE 67 HB ILE 67 -3.621 -2.353 0.048 522 HG12 ILE 67 1HG1 ILE 67 -2.169 -2.798 2.669 523 HG13 ILE 67 2HG1 ILE 67 -1.472 -2.098 1.213 524 HG21 ILE 67 1HG2 ILE 67 -5.079 -2.092 2.004 525 HG22 ILE 67 2HG2 ILE 67 -4.558 -3.669 2.595 526 HG23 ILE 67 3HG2 ILE 67 -5.467 -3.548 1.089 527 HD11 ILE 67 3HD1 ILE 67 -2.021 -0.389 2.844 528 HD12 ILE 67 1HD1 ILE 67 -3.705 -0.914 2.844 529 HD13 ILE 67 2HD1 ILE 67 -3.001 -0.207 1.389 530 H ILE 68 H ILE 68 -3.887 -6.635 0.691 531 HA ILE 68 HA ILE 68 -4.917 -6.619 -2.053 532 HB ILE 68 HB ILE 68 -4.460 -8.905 -0.125 533 HG12 ILE 68 1HG1 ILE 68 -2.952 -8.077 -2.615 534 HG13 ILE 68 2HG1 ILE 68 -2.400 -7.825 -0.962 535 HG21 ILE 68 1HG2 ILE 68 -4.870 -10.366 -2.049 536 HG22 ILE 68 2HG2 ILE 68 -5.302 -8.957 -3.019 537 HG23 ILE 68 3HG2 ILE 68 -6.294 -9.411 -1.632 538 HD11 ILE 68 3HD1 ILE 68 -2.315 -10.240 -0.627 539 HD12 ILE 68 1HD1 ILE 68 -1.302 -9.731 -1.978 540 HD13 ILE 68 2HD1 ILE 68 -2.865 -10.487 -2.285 541 H TYR 69 H TYR 69 -7.024 -6.524 -2.473 542 HA TYR 69 HA TYR 69 -8.918 -6.865 -0.240 543 HB2 TYR 69 1HB TYR 69 -9.227 -5.263 -2.790 544 HB3 TYR 69 2HB TYR 69 -10.443 -5.413 -1.527 545 HD1 TYR 69 HD1 TYR 69 -10.173 -4.260 0.599 546 HD2 TYR 69 HD2 TYR 69 -7.269 -3.880 -2.484 547 HE1 TYR 69 HE1 TYR 69 -9.213 -2.312 1.749 548 HE2 TYR 69 HE2 TYR 69 -6.301 -1.935 -1.343 549 HH TYR 69 HH TYR 69 -6.890 -0.263 0.260 550 H GLN 70 H GLN 70 -10.286 -8.497 -0.328 551 HA GLN 70 HA GLN 70 -10.375 -10.149 -2.728 552 HB2 GLN 70 1HB GLN 70 -9.971 -11.227 -0.543 553 HB3 GLN 70 2HB GLN 70 -11.511 -10.611 0.041 554 HG2 GLN 70 1HG GLN 70 -12.581 -11.906 -1.856 555 HG3 GLN 70 2HG GLN 70 -11.019 -12.695 -2.060 556 HE21 GLN 70 2HE2 GLN 70 -13.599 -13.808 -1.296 557 HE22 GLN 70 1HE2 GLN 70 -13.363 -14.568 0.243 558 H LYS 71 H LYS 71 -12.156 -10.365 -3.985 559 HA LYS 71 HA LYS 71 -14.313 -8.514 -3.645 560 HB2 LYS 71 1HB LYS 71 -13.548 -9.113 -5.892 561 HB3 LYS 71 2HB LYS 71 -13.985 -10.794 -5.608 562 HG2 LYS 71 1HG LYS 71 -16.344 -10.077 -5.321 563 HG3 LYS 71 2HG LYS 71 -15.858 -8.442 -5.770 564 HD2 LYS 71 1HD LYS 71 -15.132 -9.231 -7.949 565 HD3 LYS 71 2HD LYS 71 -15.523 -10.894 -7.500 566 HE2 LYS 71 1HE LYS 71 -17.305 -9.996 -8.856 567 HE3 LYS 71 2HE LYS 71 -17.884 -10.218 -7.205 568 HZ1 LYS 71 3HZ LYS 71 -17.227 -7.701 -8.605 569 HZ2 LYS 71 1HZ LYS 71 -17.273 -7.775 -6.912 570 HZ3 LYS 71 2HZ LYS 71 -18.660 -8.129 -7.812 571 H LYS 72 H LYS 72 -15.754 -8.866 -2.082 572 HA LYS 72 HA LYS 72 -16.601 -11.462 -1.265 573 HB2 LYS 72 1HB LYS 72 -18.267 -10.298 0.073 574 HB3 LYS 72 2HB LYS 72 -16.711 -9.495 0.233 575 HG2 LYS 72 1HG LYS 72 -17.431 -7.782 -1.355 576 HG3 LYS 72 2HG LYS 72 -18.993 -8.589 -1.510 577 HD2 LYS 72 1HD LYS 72 -19.244 -8.296 0.991 578 HD3 LYS 72 2HD LYS 72 -17.833 -7.235 0.914 579 HE2 LYS 72 1HE LYS 72 -19.924 -5.965 0.836 580 HE3 LYS 72 2HE LYS 72 -18.989 -5.776 -0.646 581 HZ1 LYS 72 3HZ LYS 72 -21.261 -7.665 -0.328 582 HZ2 LYS 72 1HZ LYS 72 -20.425 -7.314 -1.764 583 HZ3 LYS 72 2HZ LYS 72 -21.387 -6.125 -1.028 584 H ALA 73 H ALA 73 -18.509 -12.533 -1.779 585 HA ALA 73 HA ALA 73 -20.079 -13.362 -3.186 586 HB1 ALA 73 3HB ALA 73 -20.552 -10.482 -3.946 587 HB2 ALA 73 1HB ALA 73 -21.317 -11.330 -2.603 588 HB3 ALA 73 2HB ALA 73 -21.635 -11.837 -4.263 589 HA PRO 74 HA PRO 74 -17.094 -13.580 -6.593 590 HB2 PRO 74 1HB PRO 74 -17.794 -16.124 -7.304 591 HB3 PRO 74 2HB PRO 74 -16.647 -15.744 -6.015 592 HG2 PRO 74 1HG PRO 74 -19.547 -16.450 -5.825 593 HG3 PRO 74 2HG PRO 74 -18.193 -16.994 -4.816 594 HD2 PRO 74 1HD PRO 74 -19.892 -15.067 -4.008 595 HD3 PRO 74 2HD PRO 74 -18.170 -15.044 -3.577 596 H GLU 75 H GLU 75 -17.266 -13.719 -8.856 597 HA GLU 75 HA GLU 75 -19.998 -13.600 -9.936 598 HB2 GLU 75 1HB GLU 75 -18.930 -11.328 -9.608 599 HB3 GLU 75 2HB GLU 75 -17.721 -11.804 -10.790 600 HG2 GLU 75 1HG GLU 75 -19.365 -11.956 -12.512 601 HG3 GLU 75 2HG GLU 75 -20.673 -11.718 -11.351 602 H GLN 76 H GLN 76 -20.194 -14.342 -12.108 603 HA GLN 76 HA GLN 76 -18.295 -16.429 -12.698 604 HB2 GLN 76 1HB GLN 76 -20.789 -15.572 -14.176 605 HB3 GLN 76 2HB GLN 76 -19.851 -17.019 -14.518 606 HG2 GLN 76 1HG GLN 76 -20.356 -17.857 -12.268 607 HG3 GLN 76 2HG GLN 76 -21.340 -16.424 -11.973 608 HE21 GLN 76 2HE2 GLN 76 -22.085 -19.252 -12.002 609 HE22 GLN 76 1HE2 GLN 76 -23.352 -19.388 -13.181 610 H ALA 77 H ALA 77 -19.567 -13.631 -14.493 611 HA ALA 77 HA ALA 77 -17.520 -13.958 -16.521 612 HB1 ALA 77 3HB ALA 77 -19.797 -13.344 -17.173 613 HB2 ALA 77 1HB ALA 77 -18.631 -12.110 -17.654 614 HB3 ALA 77 2HB ALA 77 -19.659 -11.849 -16.246 615 H LEU 78 H LEU 78 -15.684 -12.840 -16.676 616 HA LEU 78 HA LEU 78 -14.909 -11.091 -14.522 617 HB2 LEU 78 1HB LEU 78 -13.395 -12.758 -15.640 618 HB3 LEU 78 2HB LEU 78 -13.428 -11.752 -17.074 619 HG LEU 78 HG LEU 78 -12.364 -9.922 -15.809 620 HD11 LEU 78 1HD1 LEU 78 -12.219 -11.943 -13.575 621 HD12 LEU 78 2HD1 LEU 78 -13.196 -10.476 -13.585 622 HD13 LEU 78 3HD1 LEU 78 -11.436 -10.363 -13.591 623 HD21 LEU 78 3HD2 LEU 78 -10.894 -12.551 -15.670 624 HD22 LEU 78 1HD2 LEU 78 -10.156 -10.951 -15.617 625 HD23 LEU 78 2HD2 LEU 78 -10.989 -11.489 -17.074 626 H GLU 79 H GLU 79 -13.725 -8.974 -15.207 627 HA GLU 79 HA GLU 79 -15.625 -7.244 -16.365 628 HB2 GLU 79 1HB GLU 79 -13.105 -6.998 -15.029 629 HB3 GLU 79 2HB GLU 79 -13.071 -6.015 -16.485 630 HG2 GLU 79 1HG GLU 79 -15.127 -5.874 -14.293 631 HG3 GLU 79 2HG GLU 79 -13.826 -4.719 -14.587 632 H HIS 80 H HIS 80 -16.137 -7.109 -18.430 633 HA HIS 80 HA HIS 80 -14.097 -7.777 -20.440 634 HB2 HIS 80 1HB HIS 80 -17.089 -7.518 -20.819 635 HB3 HIS 80 2HB HIS 80 -15.929 -8.120 -22.000 636 HD1 HIS 80 HD1 HIS 80 -18.399 -9.367 -19.899 637 HD2 HIS 80 HD2 HIS 80 -14.453 -10.483 -20.588 638 HE1 HIS 80 HE1 HIS 80 -18.228 -11.758 -19.140 639 HE2 HIS 80 HE2 HIS 80 -15.785 -12.334 -19.363 640 H HIS 81 H HIS 81 -13.049 -6.081 -21.179 641 HA HIS 81 HA HIS 81 -13.905 -3.419 -20.779 642 HB2 HIS 81 1HB HIS 81 -11.723 -4.465 -22.595 643 HB3 HIS 81 2HB HIS 81 -11.936 -2.785 -22.120 644 HD1 HIS 81 HD1 HIS 81 -11.918 -2.531 -19.309 645 HD2 HIS 81 HD2 HIS 81 -9.917 -5.732 -21.057 646 HE1 HIS 81 HE1 HIS 81 -10.263 -3.324 -17.586 647 HE2 HIS 81 HE2 HIS 81 -8.976 -5.176 -18.714 648 H HIS 82 H HIS 82 -14.217 -5.646 -23.451 649 HA HIS 82 HA HIS 82 -15.170 -3.526 -25.215 650 HB2 HIS 82 1HB HIS 82 -14.527 -6.432 -25.622 651 HB3 HIS 82 2HB HIS 82 -15.467 -5.542 -26.817 652 HD1 HIS 82 HD1 HIS 82 -12.060 -6.339 -25.941 653 HD2 HIS 82 HD2 HIS 82 -13.998 -3.123 -27.728 654 HE1 HIS 82 HE1 HIS 82 -10.267 -5.042 -27.133 655 HE2 HIS 82 HE2 HIS 82 -11.431 -2.977 -27.994 656 H HIS 83 H HIS 83 -16.582 -4.567 -22.755 657 HA HIS 83 HA HIS 83 -19.205 -4.596 -24.063 658 HB2 HIS 83 1HB HIS 83 -18.705 -6.916 -23.294 659 HB3 HIS 83 2HB HIS 83 -18.506 -6.303 -21.656 660 HD1 HIS 83 HD1 HIS 83 -21.003 -7.661 -23.920 661 HD2 HIS 83 HD2 HIS 83 -21.009 -5.143 -20.602 662 HE1 HIS 83 HE1 HIS 83 -23.383 -7.607 -23.101 663 HE2 HIS 83 HE2 HIS 83 -23.363 -6.102 -21.079 664 H HIS 84 H HIS 84 -17.560 -4.383 -20.924 665 HA HIS 84 HA HIS 84 -19.301 -2.157 -20.166 666 HB2 HIS 84 1HB HIS 84 -19.007 -3.835 -18.444 667 HB3 HIS 84 2HB HIS 84 -17.258 -3.763 -18.607 668 HD1 HIS 84 HD1 HIS 84 -16.216 -2.579 -16.727 669 HD2 HIS 84 HD2 HIS 84 -19.976 -1.023 -17.630 670 HE1 HIS 84 HE1 HIS 84 -16.592 -0.700 -15.093 671 HE2 HIS 84 HE2 HIS 84 -18.817 0.301 -15.725 672 H HIS 85 H HIS 85 -18.554 -0.534 -21.469 673 HA HIS 85 HA HIS 85 -15.726 0.047 -21.624 674 HB2 HIS 85 1HB HIS 85 -17.394 0.299 -23.545 675 HB3 HIS 85 2HB HIS 85 -17.993 1.726 -22.705 676 HD1 HIS 85 HD1 HIS 85 -16.193 3.714 -22.409 677 HD2 HIS 85 HD2 HIS 85 -15.190 0.705 -25.096 678 HE1 HIS 85 HE1 HIS 85 -14.358 4.664 -23.834 679 HE2 HIS 85 HE2 HIS 85 -13.934 2.912 -25.595 Start of MODEL 20 1 H1 MET 1 1H MET 1 23.816 15.133 5.811 2 H2 MET 1 2H MET 1 22.989 15.564 7.227 3 H3 MET 1 3H MET 1 24.160 16.602 6.586 4 HA MET 1 HA MET 1 21.900 17.369 6.133 5 HB2 MET 1 1HB MET 1 23.554 16.485 3.760 6 HB3 MET 1 2HB MET 1 22.194 17.592 3.644 7 HG2 MET 1 1HG MET 1 23.338 19.192 5.047 8 HG3 MET 1 2HG MET 1 24.681 18.070 5.269 9 HE1 MET 1 3HE MET 1 26.191 20.905 2.998 10 HE2 MET 1 1HE MET 1 26.369 20.007 4.506 11 HE3 MET 1 2HE MET 1 25.000 21.098 4.284 12 H ASP 2 H ASP 2 21.454 14.616 6.848 13 HA ASP 2 HA ASP 2 20.000 13.518 4.541 14 HB2 ASP 2 1HB ASP 2 20.547 12.108 7.157 15 HB3 ASP 2 2HB ASP 2 20.107 11.390 5.611 16 H PHE 3 H PHE 3 18.377 15.239 4.934 17 HA PHE 3 HA PHE 3 16.197 14.254 6.511 18 HB2 PHE 3 1HB PHE 3 15.959 16.309 7.909 19 HB3 PHE 3 2HB PHE 3 17.375 15.345 8.313 20 HD1 PHE 3 HD2 PHE 3 16.216 18.451 6.704 21 HD2 PHE 3 HD1 PHE 3 19.575 16.208 8.047 22 HE1 PHE 3 HE2 PHE 3 17.646 20.435 6.432 23 HE2 PHE 3 HE1 PHE 3 21.008 18.189 7.780 24 HZ PHE 3 HZ PHE 3 20.045 20.304 6.972 25 H GLY 4 H GLY 4 17.248 15.579 3.808 26 HA2 GLY 4 1HA GLY 4 14.940 17.399 3.494 27 HA3 GLY 4 2HA GLY 4 16.458 17.568 2.624 28 H LYS 5 H LYS 5 15.686 14.345 2.884 29 HA LYS 5 HA LYS 5 14.349 14.368 0.266 30 HB2 LYS 5 1HB LYS 5 16.628 13.533 0.057 31 HB3 LYS 5 2HB LYS 5 16.349 12.373 1.348 32 HG2 LYS 5 1HG LYS 5 14.806 11.142 -0.002 33 HG3 LYS 5 2HG LYS 5 14.852 12.378 -1.261 34 HD2 LYS 5 1HD LYS 5 17.161 11.883 -1.733 35 HD3 LYS 5 2HD LYS 5 17.237 10.762 -0.373 36 HE2 LYS 5 1HE LYS 5 15.422 10.430 -2.755 37 HE3 LYS 5 2HE LYS 5 16.996 9.653 -2.586 38 HZ1 LYS 5 3HZ LYS 5 16.220 8.483 -0.660 39 HZ2 LYS 5 1HZ LYS 5 15.123 8.218 -1.927 40 HZ3 LYS 5 2HZ LYS 5 14.740 9.305 -0.686 41 HA PRO 6 HA PRO 6 11.275 12.428 2.956 42 HB2 PRO 6 1HB PRO 6 9.458 13.006 0.745 43 HB3 PRO 6 2HB PRO 6 9.418 13.607 2.404 44 HG2 PRO 6 1HG PRO 6 10.027 15.189 0.297 45 HG3 PRO 6 2HG PRO 6 10.712 15.438 1.914 46 HD2 PRO 6 1HD PRO 6 11.945 14.142 -0.489 47 HD3 PRO 6 2HD PRO 6 12.674 15.254 0.690 48 H ASN 7 H ASN 7 11.719 10.300 2.870 49 HA ASN 7 HA ASN 7 11.547 8.792 0.427 50 HB2 ASN 7 1HB ASN 7 11.877 7.915 3.306 51 HB3 ASN 7 2HB ASN 7 11.910 6.821 1.927 52 HD21 ASN 7 2HD2 ASN 7 13.977 7.434 3.905 53 HD22 ASN 7 1HD2 ASN 7 15.354 7.978 3.004 54 H GLN 8 H GLN 8 9.806 7.813 -0.370 55 HA GLN 8 HA GLN 8 7.354 7.954 1.233 56 HB2 GLN 8 1HB GLN 8 7.768 7.921 -1.755 57 HB3 GLN 8 2HB GLN 8 6.191 7.746 -0.999 58 HG2 GLN 8 1HG GLN 8 6.459 9.946 0.043 59 HG3 GLN 8 2HG GLN 8 8.023 10.118 -0.751 60 HE21 GLN 8 2HE2 GLN 8 5.551 11.700 -0.961 61 HE22 GLN 8 1HE2 GLN 8 5.164 11.724 -2.647 62 H VAL 9 H VAL 9 6.335 6.183 1.817 63 HA VAL 9 HA VAL 9 7.171 3.596 0.791 64 HB VAL 9 HB VAL 9 5.078 4.332 2.856 65 HG11 VAL 9 1HG1 VAL 9 6.061 1.604 2.022 66 HG12 VAL 9 2HG1 VAL 9 4.459 2.270 1.703 67 HG13 VAL 9 3HG1 VAL 9 4.964 1.941 3.360 68 HG21 VAL 9 3HG2 VAL 9 7.801 3.068 3.141 69 HG22 VAL 9 1HG2 VAL 9 6.654 3.349 4.450 70 HG23 VAL 9 2HG2 VAL 9 7.369 4.716 3.596 71 H THR 10 H THR 10 6.136 2.525 -0.771 72 HA THR 10 HA THR 10 3.923 3.895 -2.072 73 HB THR 10 HB THR 10 5.374 1.413 -3.006 74 HG1 THR 10 HG1 THR 10 6.585 3.572 -2.600 75 HG21 THR 10 3HG2 THR 10 3.241 1.887 -4.120 76 HG22 THR 10 1HG2 THR 10 4.599 2.140 -5.216 77 HG23 THR 10 2HG2 THR 10 3.789 3.524 -4.481 78 H VAL 11 H VAL 11 1.942 3.413 -1.437 79 HA VAL 11 HA VAL 11 1.362 0.846 -0.201 80 HB VAL 11 HB VAL 11 -0.501 3.169 -0.711 81 HG11 VAL 11 1HG1 VAL 11 -1.884 2.137 1.029 82 HG12 VAL 11 2HG1 VAL 11 -0.749 0.789 1.118 83 HG13 VAL 11 3HG1 VAL 11 -1.669 1.073 -0.361 84 HG21 VAL 11 3HG2 VAL 11 -0.144 3.753 1.646 85 HG22 VAL 11 1HG2 VAL 11 1.345 3.869 0.709 86 HG23 VAL 11 2HG2 VAL 11 1.075 2.485 1.768 87 H ASN 12 H ASN 12 0.974 -0.808 -1.496 88 HA ASN 12 HA ASN 12 -0.220 -0.321 -4.128 89 HB2 ASN 12 1HB ASN 12 1.468 -2.517 -2.981 90 HB3 ASN 12 2HB ASN 12 0.455 -2.844 -4.382 91 HD21 ASN 12 2HD2 ASN 12 2.348 -3.253 -5.577 92 HD22 ASN 12 1HD2 ASN 12 3.322 -1.953 -6.180 93 H TYR 13 H TYR 13 -2.329 -0.478 -4.214 94 HA TYR 13 HA TYR 13 -3.803 -2.228 -2.428 95 HB2 TYR 13 1HB TYR 13 -4.736 -0.346 -4.616 96 HB3 TYR 13 2HB TYR 13 -5.802 -1.237 -3.533 97 HD1 TYR 13 HD2 TYR 13 -3.278 1.465 -3.701 98 HD2 TYR 13 HD1 TYR 13 -6.211 -0.478 -1.315 99 HE1 TYR 13 HE2 TYR 13 -3.141 3.288 -2.057 100 HE2 TYR 13 HE1 TYR 13 -6.080 1.333 0.337 101 HH TYR 13 HH TYR 13 -4.460 3.063 1.056 102 H LEU 14 H LEU 14 -3.766 -4.329 -2.945 103 HA LEU 14 HA LEU 14 -3.581 -5.059 -5.780 104 HB2 LEU 14 1HB LEU 14 -2.919 -6.632 -3.296 105 HB3 LEU 14 2HB LEU 14 -2.761 -7.234 -4.934 106 HG LEU 14 HG LEU 14 -1.219 -4.921 -3.755 107 HD11 LEU 14 1HD1 LEU 14 -0.533 -7.078 -2.854 108 HD12 LEU 14 2HD1 LEU 14 0.702 -6.416 -3.925 109 HD13 LEU 14 3HD1 LEU 14 -0.353 -7.712 -4.489 110 HD21 LEU 14 3HD2 LEU 14 0.057 -4.978 -5.835 111 HD22 LEU 14 1HD2 LEU 14 -1.644 -4.628 -6.144 112 HD23 LEU 14 2HD2 LEU 14 -1.003 -6.242 -6.459 113 H ASP 15 H ASP 15 -4.329 -7.591 -5.801 114 HA ASP 15 HA ASP 15 -7.208 -7.510 -5.198 115 HB2 ASP 15 1HB ASP 15 -6.734 -6.958 -7.575 116 HB3 ASP 15 2HB ASP 15 -5.858 -8.471 -7.744 117 H GLU 16 H GLU 16 -8.141 -9.798 -5.521 118 HA GLU 16 HA GLU 16 -6.886 -11.663 -3.837 119 HB2 GLU 16 1HB GLU 16 -9.321 -11.632 -4.280 120 HB3 GLU 16 2HB GLU 16 -9.018 -12.144 -5.935 121 HG2 GLU 16 1HG GLU 16 -7.891 -14.185 -4.936 122 HG3 GLU 16 2HG GLU 16 -8.612 -13.697 -3.403 123 H ASN 17 H ASN 17 -7.033 -11.321 -7.344 124 HA ASN 17 HA ASN 17 -5.366 -13.652 -7.815 125 HB2 ASN 17 1HB ASN 17 -7.230 -12.627 -9.349 126 HB3 ASN 17 2HB ASN 17 -5.950 -11.537 -9.870 127 HD21 ASN 17 2HD2 ASN 17 -7.115 -14.797 -9.849 128 HD22 ASN 17 1HD2 ASN 17 -6.054 -15.397 -11.085 129 H ASN 18 H ASN 18 -4.826 -10.823 -6.520 130 HA ASN 18 HA ASN 18 -3.087 -9.521 -6.044 131 HB2 ASN 18 1HB ASN 18 -1.983 -11.725 -5.656 132 HB3 ASN 18 2HB ASN 18 -1.374 -11.673 -7.306 133 HD21 ASN 18 2HD2 ASN 18 0.351 -10.369 -7.796 134 HD22 ASN 18 1HD2 ASN 18 1.259 -9.510 -6.597 135 H THR 19 H THR 19 -3.829 -7.964 -7.491 136 HA THR 19 HA THR 19 -1.827 -7.195 -9.421 137 HB THR 19 HB THR 19 -4.723 -7.457 -10.298 138 HG1 THR 19 HG1 THR 19 -2.690 -9.246 -10.311 139 HG21 THR 19 3HG2 THR 19 -3.866 -6.850 -12.516 140 HG22 THR 19 1HG2 THR 19 -2.251 -6.653 -11.839 141 HG23 THR 19 2HG2 THR 19 -3.553 -5.572 -11.339 142 H SER 20 H SER 20 -1.801 -4.916 -9.671 143 HA SER 20 HA SER 20 -2.997 -3.470 -7.549 144 HB2 SER 20 1HB SER 20 -2.103 -1.462 -8.973 145 HB3 SER 20 2HB SER 20 -0.964 -2.568 -8.204 146 HG SER 20 HG SER 20 -0.407 -3.366 -10.104 147 H ILE 21 H ILE 21 -5.098 -3.180 -7.461 148 HA ILE 21 HA ILE 21 -6.661 -2.731 -9.877 149 HB ILE 21 HB ILE 21 -8.613 -2.795 -8.299 150 HG12 ILE 21 1HG1 ILE 21 -6.471 -3.564 -6.298 151 HG13 ILE 21 2HG1 ILE 21 -7.410 -2.076 -6.275 152 HG21 ILE 21 1HG2 ILE 21 -7.912 -4.761 -9.542 153 HG22 ILE 21 2HG2 ILE 21 -8.488 -5.215 -7.937 154 HG23 ILE 21 3HG2 ILE 21 -6.756 -5.172 -8.273 155 HD11 ILE 21 3HD1 ILE 21 -8.242 -3.667 -4.652 156 HD12 ILE 21 1HD1 ILE 21 -8.498 -4.858 -5.927 157 HD13 ILE 21 2HD1 ILE 21 -9.445 -3.369 -5.907 158 H ALA 22 H ALA 22 -5.376 -0.993 -7.191 159 HA ALA 22 HA ALA 22 -6.705 1.446 -8.157 160 HB1 ALA 22 3HB ALA 22 -6.058 0.760 -5.287 161 HB2 ALA 22 1HB ALA 22 -7.668 0.790 -6.008 162 HB3 ALA 22 2HB ALA 22 -6.742 2.284 -5.855 163 HA PRO 23 HA PRO 23 -2.691 3.149 -8.821 164 HB2 PRO 23 1HB PRO 23 -3.761 5.627 -7.570 165 HB3 PRO 23 2HB PRO 23 -3.008 5.397 -9.153 166 HG2 PRO 23 1HG PRO 23 -5.638 5.755 -8.935 167 HG3 PRO 23 2HG PRO 23 -4.967 4.619 -10.120 168 HD2 PRO 23 1HD PRO 23 -6.273 4.066 -7.490 169 HD3 PRO 23 2HD PRO 23 -6.380 3.165 -9.016 170 H SER 24 H SER 24 -0.841 3.282 -7.716 171 HA SER 24 HA SER 24 -0.685 2.550 -5.035 172 HB2 SER 24 1HB SER 24 1.475 4.011 -6.556 173 HB3 SER 24 2HB SER 24 1.666 2.795 -5.292 174 HG SER 24 HG SER 24 1.963 1.651 -7.110 175 H LEU 25 H LEU 25 -0.764 3.667 -3.181 176 HA LEU 25 HA LEU 25 -1.113 6.556 -3.335 177 HB2 LEU 25 1HB LEU 25 -2.694 5.200 -2.016 178 HB3 LEU 25 2HB LEU 25 -1.379 4.687 -0.982 179 HG LEU 25 HG LEU 25 -1.060 7.003 -0.226 180 HD11 LEU 25 1HD1 LEU 25 -3.488 7.591 -1.915 181 HD12 LEU 25 2HD1 LEU 25 -1.846 8.158 -2.224 182 HD13 LEU 25 3HD1 LEU 25 -2.715 8.707 -0.791 183 HD21 LEU 25 3HD2 LEU 25 -3.886 5.986 0.034 184 HD22 LEU 25 1HD2 LEU 25 -3.116 7.173 1.089 185 HD23 LEU 25 2HD2 LEU 25 -2.512 5.517 1.037 186 H TYR 26 H TYR 26 0.196 8.039 -2.324 187 HA TYR 26 HA TYR 26 2.926 7.099 -1.885 188 HB2 TYR 26 1HB TYR 26 1.986 9.957 -2.134 189 HB3 TYR 26 2HB TYR 26 3.627 9.346 -2.317 190 HD1 TYR 26 HD1 TYR 26 4.260 8.081 -4.352 191 HD2 TYR 26 HD2 TYR 26 0.415 9.855 -3.929 192 HE1 TYR 26 HE1 TYR 26 3.889 7.848 -6.774 193 HE2 TYR 26 HE2 TYR 26 0.037 9.627 -6.343 194 HH TYR 26 HH TYR 26 1.326 9.419 -8.392 195 H LEU 27 H LEU 27 3.392 6.618 0.146 196 HA LEU 27 HA LEU 27 2.278 8.240 2.314 197 HB2 LEU 27 1HB LEU 27 2.130 5.787 2.471 198 HB3 LEU 27 2HB LEU 27 3.875 5.675 2.373 199 HG LEU 27 HG LEU 27 4.075 6.835 4.530 200 HD11 LEU 27 1HD1 LEU 27 2.051 8.184 4.434 201 HD12 LEU 27 2HD1 LEU 27 2.082 7.201 5.899 202 HD13 LEU 27 3HD1 LEU 27 1.063 6.727 4.541 203 HD21 LEU 27 3HD2 LEU 27 2.245 4.442 4.521 204 HD22 LEU 27 1HD2 LEU 27 3.157 5.019 5.915 205 HD23 LEU 27 2HD2 LEU 27 4.008 4.417 4.493 206 H SER 28 H SER 28 3.462 10.104 2.271 207 HA SER 28 HA SER 28 6.291 10.115 1.840 208 HB2 SER 28 1HB SER 28 4.479 12.357 2.760 209 HB3 SER 28 2HB SER 28 6.111 12.531 2.114 210 HG SER 28 HG SER 28 4.228 12.837 0.636 211 H GLY 29 H GLY 29 7.870 10.019 3.285 212 HA2 GLY 29 1HA GLY 29 7.396 10.936 6.023 213 HA3 GLY 29 2HA GLY 29 7.949 9.280 5.802 214 H LEU 30 H LEU 30 9.718 10.286 7.198 215 HA LEU 30 HA LEU 30 11.769 11.370 5.382 216 HB2 LEU 30 1HB LEU 30 10.823 12.987 7.119 217 HB3 LEU 30 2HB LEU 30 11.614 11.993 8.326 218 HG LEU 30 HG LEU 30 13.798 12.466 7.283 219 HD11 LEU 30 1HD1 LEU 30 13.062 12.808 4.994 220 HD12 LEU 30 2HD1 LEU 30 13.958 14.214 5.571 221 HD13 LEU 30 3HD1 LEU 30 12.198 14.269 5.472 222 HD21 LEU 30 3HD2 LEU 30 12.190 14.930 7.945 223 HD22 LEU 30 1HD2 LEU 30 13.949 14.814 7.949 224 HD23 LEU 30 2HD2 LEU 30 13.001 13.878 9.106 225 H PHE 31 H PHE 31 14.032 11.038 6.420 226 HA PHE 31 HA PHE 31 14.556 8.308 6.617 227 HB2 PHE 31 1HB PHE 31 16.306 9.807 5.937 228 HB3 PHE 31 2HB PHE 31 16.201 10.705 7.447 229 HD1 PHE 31 HD1 PHE 31 16.751 7.170 6.350 230 HD2 PHE 31 HD2 PHE 31 17.873 10.334 8.967 231 HE1 PHE 31 HE1 PHE 31 18.499 5.741 7.327 232 HE2 PHE 31 HE2 PHE 31 19.623 8.908 9.946 233 HZ PHE 31 HZ PHE 31 19.936 6.607 9.127 234 H ASN 32 H ASN 32 14.436 6.902 8.199 235 HA ASN 32 HA ASN 32 14.120 5.940 10.228 236 HB2 ASN 32 1HB ASN 32 16.347 6.958 10.635 237 HB3 ASN 32 2HB ASN 32 15.555 8.393 11.270 238 HD21 ASN 32 2HD2 ASN 32 16.529 8.177 13.258 239 HD22 ASN 32 1HD2 ASN 32 16.087 6.945 14.394 240 H GLU 33 H GLU 33 11.831 6.540 9.689 241 HA GLU 33 HA GLU 33 10.654 7.880 11.984 242 HB2 GLU 33 1HB GLU 33 10.823 9.683 10.370 243 HB3 GLU 33 2HB GLU 33 10.110 8.679 9.116 244 HG2 GLU 33 1HG GLU 33 8.007 8.624 10.377 245 HG3 GLU 33 2HG GLU 33 8.728 9.667 11.601 246 H ALA 34 H ALA 34 8.683 7.026 12.556 247 HA ALA 34 HA ALA 34 7.875 4.564 11.298 248 HB1 ALA 34 3HB ALA 34 6.566 6.110 13.538 249 HB2 ALA 34 1HB ALA 34 7.773 4.838 13.733 250 HB3 ALA 34 2HB ALA 34 6.190 4.456 13.057 251 H TYR 35 H TYR 35 5.455 4.240 10.808 252 HA TYR 35 HA TYR 35 4.279 6.596 9.564 253 HB2 TYR 35 1HB TYR 35 4.135 5.516 7.361 254 HB3 TYR 35 2HB TYR 35 5.804 5.751 7.861 255 HD1 TYR 35 HD2 TYR 35 7.205 3.818 8.473 256 HD2 TYR 35 HD1 TYR 35 3.208 3.308 7.111 257 HE1 TYR 35 HE2 TYR 35 7.648 1.431 8.074 258 HE2 TYR 35 HE1 TYR 35 3.639 0.928 6.708 259 HH TYR 35 HH TYR 35 6.378 -0.680 7.902 260 H ASN 36 H ASN 36 2.130 6.318 8.834 261 HA ASN 36 HA ASN 36 0.767 3.872 9.783 262 HB2 ASN 36 1HB ASN 36 -0.386 6.658 9.431 263 HB3 ASN 36 2HB ASN 36 -1.294 5.237 9.925 264 HD21 ASN 36 2HD2 ASN 36 -1.006 7.732 11.290 265 HD22 ASN 36 1HD2 ASN 36 -0.297 7.379 12.834 266 H VAL 37 H VAL 37 -0.244 2.683 8.233 267 HA VAL 37 HA VAL 37 -0.187 3.728 5.511 268 HB VAL 37 HB VAL 37 -0.792 0.937 6.502 269 HG11 VAL 37 1HG1 VAL 37 -0.445 1.958 3.682 270 HG12 VAL 37 2HG1 VAL 37 -1.960 1.417 4.409 271 HG13 VAL 37 3HG1 VAL 37 -0.644 0.270 4.152 272 HG21 VAL 37 3HG2 VAL 37 1.536 1.590 6.822 273 HG22 VAL 37 1HG2 VAL 37 1.643 2.074 5.130 274 HG23 VAL 37 2HG2 VAL 37 1.394 0.379 5.549 275 HA PRO 38 HA PRO 38 -4.538 4.697 5.903 276 HB2 PRO 38 1HB PRO 38 -4.325 5.504 3.100 277 HB3 PRO 38 2HB PRO 38 -4.685 6.488 4.520 278 HG2 PRO 38 1HG PRO 38 -2.353 6.691 3.174 279 HG3 PRO 38 2HG PRO 38 -2.468 6.952 4.925 280 HD2 PRO 38 1HD PRO 38 -1.519 4.537 3.426 281 HD3 PRO 38 2HD PRO 38 -0.843 5.299 4.884 282 H MET 39 H MET 39 -5.633 2.802 5.952 283 HA MET 39 HA MET 39 -5.854 1.071 3.652 284 HB2 MET 39 1HB MET 39 -7.492 1.134 6.202 285 HB3 MET 39 2HB MET 39 -7.479 -0.165 5.016 286 HG2 MET 39 1HG MET 39 -5.145 -0.623 5.521 287 HG3 MET 39 2HG MET 39 -5.126 0.704 6.681 288 HE1 MET 39 3HE MET 39 -4.244 -0.801 8.629 289 HE2 MET 39 1HE MET 39 -4.143 -2.157 7.507 290 HE3 MET 39 2HE MET 39 -4.942 -2.361 9.066 291 H LYS 40 H LYS 40 -7.865 0.705 2.496 292 HA LYS 40 HA LYS 40 -9.742 2.965 2.621 293 HB2 LYS 40 1HB LYS 40 -8.416 1.887 0.130 294 HB3 LYS 40 2HB LYS 40 -9.825 2.931 0.106 295 HG2 LYS 40 1HG LYS 40 -8.499 4.681 1.244 296 HG3 LYS 40 2HG LYS 40 -7.084 3.628 1.137 297 HD2 LYS 40 1HD LYS 40 -7.292 3.595 -1.300 298 HD3 LYS 40 2HD LYS 40 -8.709 4.638 -1.197 299 HE2 LYS 40 1HE LYS 40 -7.319 6.393 -0.182 300 HE3 LYS 40 2HE LYS 40 -5.907 5.347 -0.333 301 HZ1 LYS 40 3HZ LYS 40 -6.188 5.360 -2.732 302 HZ2 LYS 40 1HZ LYS 40 -6.039 6.946 -2.150 303 HZ3 LYS 40 2HZ LYS 40 -7.561 6.347 -2.591 304 H LYS 41 H LYS 41 -11.859 2.440 2.247 305 HA LYS 41 HA LYS 41 -12.464 -0.324 1.521 306 HB2 LYS 41 1HB LYS 41 -13.795 0.638 3.327 307 HB3 LYS 41 2HB LYS 41 -14.277 1.975 2.293 308 HG2 LYS 41 1HG LYS 41 -15.505 0.444 0.849 309 HG3 LYS 41 2HG LYS 41 -14.979 -0.921 1.831 310 HD2 LYS 41 1HD LYS 41 -17.185 -0.417 2.518 311 HD3 LYS 41 2HD LYS 41 -16.124 0.185 3.788 312 HE2 LYS 41 1HE LYS 41 -17.286 1.891 1.587 313 HE3 LYS 41 2HE LYS 41 -18.002 1.717 3.186 314 HZ1 LYS 41 3HZ LYS 41 -16.773 3.628 3.406 315 HZ2 LYS 41 1HZ LYS 41 -15.516 3.088 2.403 316 HZ3 LYS 41 2HZ LYS 41 -15.672 2.478 3.979 317 H ILE 42 H ILE 42 -11.910 -0.473 -0.598 318 HA ILE 42 HA ILE 42 -12.499 1.559 -2.504 319 HB ILE 42 HB ILE 42 -11.797 -1.334 -3.049 320 HG12 ILE 42 1HG1 ILE 42 -9.966 1.053 -2.730 321 HG13 ILE 42 2HG1 ILE 42 -10.147 -0.249 -1.561 322 HG21 ILE 42 1HG2 ILE 42 -11.486 1.137 -4.745 323 HG22 ILE 42 2HG2 ILE 42 -12.661 -0.153 -4.995 324 HG23 ILE 42 3HG2 ILE 42 -10.938 -0.483 -5.176 325 HD11 ILE 42 3HD1 ILE 42 -9.266 -1.837 -3.183 326 HD12 ILE 42 1HD1 ILE 42 -8.133 -0.518 -2.891 327 HD13 ILE 42 2HD1 ILE 42 -9.098 -0.540 -4.367 328 H LYS 43 H LYS 43 -13.996 1.372 -4.271 329 HA LYS 43 HA LYS 43 -16.578 0.989 -3.322 330 HB2 LYS 43 1HB LYS 43 -15.968 2.553 -5.105 331 HB3 LYS 43 2HB LYS 43 -15.648 1.204 -6.184 332 HG2 LYS 43 1HG LYS 43 -17.927 0.617 -6.287 333 HG3 LYS 43 2HG LYS 43 -18.335 1.674 -4.931 334 HD2 LYS 43 1HD LYS 43 -17.677 3.621 -6.294 335 HD3 LYS 43 2HD LYS 43 -17.366 2.540 -7.652 336 HE2 LYS 43 1HE LYS 43 -19.660 1.941 -7.806 337 HE3 LYS 43 2HE LYS 43 -20.034 2.731 -6.273 338 HZ1 LYS 43 3HZ LYS 43 -20.722 4.089 -8.148 339 HZ2 LYS 43 1HZ LYS 43 -19.141 4.104 -8.751 340 HZ3 LYS 43 2HZ LYS 43 -19.488 4.859 -7.277 341 H GLY 44 H GLY 44 -17.172 -0.977 -2.637 342 HA2 GLY 44 1HA GLY 44 -18.280 -2.983 -2.964 343 HA3 GLY 44 2HA GLY 44 -17.826 -2.934 -4.663 344 H TYR 45 H TYR 45 -15.356 -2.468 -2.333 345 HA TYR 45 HA TYR 45 -14.418 -5.221 -2.786 346 HB2 TYR 45 1HB TYR 45 -12.891 -2.641 -2.559 347 HB3 TYR 45 2HB TYR 45 -12.113 -4.199 -2.326 348 HD1 TYR 45 HD2 TYR 45 -14.095 -2.243 -4.798 349 HD2 TYR 45 HD1 TYR 45 -11.327 -5.405 -4.152 350 HE1 TYR 45 HE2 TYR 45 -13.779 -2.452 -7.227 351 HE2 TYR 45 HE1 TYR 45 -11.003 -5.625 -6.575 352 HH TYR 45 HH TYR 45 -12.057 -5.121 -8.625 353 H THR 46 H THR 46 -13.053 -6.086 -1.086 354 HA THR 46 HA THR 46 -13.344 -4.913 1.555 355 HB THR 46 HB THR 46 -14.555 -7.554 0.738 356 HG1 THR 46 HG1 THR 46 -15.505 -5.134 1.080 357 HG21 THR 46 3HG2 THR 46 -13.252 -7.913 2.798 358 HG22 THR 46 1HG2 THR 46 -14.989 -8.031 3.078 359 HG23 THR 46 2HG2 THR 46 -14.113 -6.578 3.563 360 H LEU 47 H LEU 47 -11.613 -5.323 2.806 361 HA LEU 47 HA LEU 47 -9.261 -6.340 1.670 362 HB2 LEU 47 1HB LEU 47 -9.349 -4.739 3.554 363 HB3 LEU 47 2HB LEU 47 -9.932 -6.022 4.599 364 HG LEU 47 HG LEU 47 -7.801 -7.245 4.222 365 HD11 LEU 47 1HD1 LEU 47 -6.970 -4.705 2.830 366 HD12 LEU 47 2HD1 LEU 47 -7.197 -6.281 2.070 367 HD13 LEU 47 3HD1 LEU 47 -5.909 -6.050 3.251 368 HD21 LEU 47 3HD2 LEU 47 -7.534 -4.448 5.314 369 HD22 LEU 47 1HD2 LEU 47 -6.429 -5.786 5.628 370 HD23 LEU 47 2HD2 LEU 47 -8.095 -5.867 6.200 371 H LEU 48 H LEU 48 -8.775 -8.372 1.197 372 HA LEU 48 HA LEU 48 -10.268 -10.574 2.239 373 HB2 LEU 48 1HB LEU 48 -9.364 -10.546 -0.049 374 HB3 LEU 48 2HB LEU 48 -7.734 -10.538 0.594 375 HG LEU 48 HG LEU 48 -8.091 -12.773 1.548 376 HD11 LEU 48 1HD1 LEU 48 -10.781 -12.622 0.194 377 HD12 LEU 48 2HD1 LEU 48 -10.493 -12.629 1.934 378 HD13 LEU 48 3HD1 LEU 48 -10.092 -14.050 0.969 379 HD21 LEU 48 3HD2 LEU 48 -7.158 -12.545 -0.701 380 HD22 LEU 48 1HD2 LEU 48 -8.784 -12.587 -1.382 381 HD23 LEU 48 2HD2 LEU 48 -8.136 -14.005 -0.556 382 H LYS 49 H LYS 49 -6.976 -9.380 2.638 383 HA LYS 49 HA LYS 49 -6.837 -10.028 5.371 384 HB2 LYS 49 1HB LYS 49 -6.613 -12.344 4.340 385 HB3 LYS 49 2HB LYS 49 -5.099 -11.794 3.635 386 HG2 LYS 49 1HG LYS 49 -4.258 -11.317 5.910 387 HG3 LYS 49 2HG LYS 49 -5.749 -11.997 6.566 388 HD2 LYS 49 1HD LYS 49 -5.216 -14.123 5.377 389 HD3 LYS 49 2HD LYS 49 -3.659 -13.424 4.929 390 HE2 LYS 49 1HE LYS 49 -4.677 -13.957 7.716 391 HE3 LYS 49 2HE LYS 49 -3.379 -14.809 6.881 392 HZ1 LYS 49 3HZ LYS 49 -2.127 -12.708 6.839 393 HZ2 LYS 49 1HZ LYS 49 -2.459 -13.233 8.417 394 HZ3 LYS 49 2HZ LYS 49 -3.357 -11.967 7.745 395 H TYR 50 H TYR 50 -4.980 -9.067 6.302 396 HA TYR 50 HA TYR 50 -3.531 -7.353 4.451 397 HB2 TYR 50 1HB TYR 50 -4.536 -6.764 6.869 398 HB3 TYR 50 2HB TYR 50 -2.922 -7.270 7.362 399 HD1 TYR 50 HD2 TYR 50 -0.927 -6.075 6.438 400 HD2 TYR 50 HD1 TYR 50 -4.898 -4.691 5.799 401 HE1 TYR 50 HE2 TYR 50 -0.050 -3.866 5.807 402 HE2 TYR 50 HE1 TYR 50 -4.033 -2.482 5.167 403 HH TYR 50 HH TYR 50 -0.774 -1.911 4.482 404 H ASP 51 H ASP 51 -2.159 -8.752 3.415 405 HA ASP 51 HA ASP 51 -0.372 -10.419 4.987 406 HB2 ASP 51 1HB ASP 51 -1.402 -11.258 2.855 407 HB3 ASP 51 2HB ASP 51 -0.439 -10.071 1.981 408 H SER 52 H SER 52 0.379 -8.344 5.952 409 HA SER 52 HA SER 52 2.992 -7.771 5.165 410 HB2 SER 52 1HB SER 52 1.709 -6.521 3.334 411 HB3 SER 52 2HB SER 52 1.122 -5.452 4.607 412 HG SER 52 HG SER 52 3.754 -5.808 3.658 413 H GLU 53 H GLU 53 3.794 -5.779 6.480 414 HA GLU 53 HA GLU 53 2.198 -5.553 8.935 415 HB2 GLU 53 1HB GLU 53 5.200 -5.899 8.814 416 HB3 GLU 53 2HB GLU 53 4.245 -5.669 10.274 417 HG2 GLU 53 1HG GLU 53 3.049 -7.779 9.762 418 HG3 GLU 53 2HG GLU 53 4.143 -8.022 8.402 419 H ILE 54 H ILE 54 1.831 -3.552 9.527 420 HA ILE 54 HA ILE 54 2.964 -1.442 7.880 421 HB ILE 54 HB ILE 54 1.179 -0.030 8.922 422 HG12 ILE 54 1HG1 ILE 54 0.425 -2.672 10.192 423 HG13 ILE 54 2HG1 ILE 54 0.810 -1.164 11.013 424 HG21 ILE 54 1HG2 ILE 54 -0.644 -1.094 7.668 425 HG22 ILE 54 2HG2 ILE 54 0.320 -2.567 7.546 426 HG23 ILE 54 3HG2 ILE 54 0.872 -1.083 6.767 427 HD11 ILE 54 3HD1 ILE 54 -1.562 -1.557 11.074 428 HD12 ILE 54 1HD1 ILE 54 -1.613 -1.723 9.319 429 HD13 ILE 54 2HD1 ILE 54 -1.225 -0.162 10.047 430 H LEU 55 H LEU 55 4.636 -2.592 9.892 431 HA LEU 55 HA LEU 55 5.015 -0.266 11.653 432 HB2 LEU 55 1HB LEU 55 5.822 -3.141 12.122 433 HB3 LEU 55 2HB LEU 55 6.221 -1.801 13.179 434 HG LEU 55 HG LEU 55 3.439 -2.820 12.596 435 HD11 LEU 55 1HD1 LEU 55 3.456 -3.516 14.936 436 HD12 LEU 55 2HD1 LEU 55 5.129 -2.978 15.086 437 HD13 LEU 55 3HD1 LEU 55 4.728 -4.323 14.017 438 HD21 LEU 55 3HD2 LEU 55 2.719 -1.240 14.314 439 HD22 LEU 55 1HD2 LEU 55 3.463 -0.406 12.949 440 HD23 LEU 55 2HD2 LEU 55 4.367 -0.628 14.447 441 H GLY 56 H GLY 56 7.446 -0.157 12.340 442 HA2 GLY 56 1HA GLY 56 9.723 -0.489 11.622 443 HA3 GLY 56 2HA GLY 56 9.121 -0.716 9.985 444 H VAL 57 H VAL 57 10.873 0.909 9.598 445 HA VAL 57 HA VAL 57 9.737 3.612 9.838 446 HB VAL 57 HB VAL 57 12.034 4.530 10.075 447 HG11 VAL 57 1HG1 VAL 57 11.189 2.618 12.248 448 HG12 VAL 57 2HG1 VAL 57 10.626 4.276 12.035 449 HG13 VAL 57 3HG1 VAL 57 12.312 3.963 12.443 450 HG21 VAL 57 3HG2 VAL 57 13.850 3.038 10.782 451 HG22 VAL 57 1HG2 VAL 57 13.297 2.671 9.148 452 HG23 VAL 57 2HG2 VAL 57 12.806 1.645 10.497 453 H PHE 58 H PHE 58 10.339 5.080 8.166 454 HA PHE 58 HA PHE 58 10.342 4.076 5.581 455 HB2 PHE 58 1HB PHE 58 11.287 6.754 6.608 456 HB3 PHE 58 2HB PHE 58 11.109 6.379 4.900 457 HD1 PHE 58 HD2 PHE 58 9.351 7.026 8.035 458 HD2 PHE 58 HD1 PHE 58 8.938 6.165 3.890 459 HE1 PHE 58 HE2 PHE 58 6.982 7.677 8.141 460 HE2 PHE 58 HE1 PHE 58 6.567 6.813 3.989 461 HZ PHE 58 HZ PHE 58 5.586 7.571 6.115 462 H THR 59 H THR 59 13.021 4.773 7.695 463 HA THR 59 HA THR 59 15.283 4.575 7.496 464 HB THR 59 HB THR 59 14.858 2.539 5.319 465 HG1 THR 59 HG1 THR 59 13.240 2.217 6.997 466 HG21 THR 59 3HG2 THR 59 16.666 2.626 7.743 467 HG22 THR 59 1HG2 THR 59 17.146 3.001 6.088 468 HG23 THR 59 2HG2 THR 59 16.648 1.363 6.512 469 H GLU 60 H GLU 60 16.177 3.536 4.609 470 HA GLU 60 HA GLU 60 15.927 6.122 3.226 471 HB2 GLU 60 1HB GLU 60 18.348 4.374 3.610 472 HB3 GLU 60 2HB GLU 60 18.240 5.493 2.260 473 HG2 GLU 60 1HG GLU 60 17.855 6.397 5.088 474 HG3 GLU 60 2HG GLU 60 19.456 6.260 4.361 475 H SER 61 H SER 61 14.471 3.518 3.113 476 HA SER 61 HA SER 61 15.033 2.813 0.312 477 HB2 SER 61 1HB SER 61 14.053 0.886 2.430 478 HB3 SER 61 2HB SER 61 14.591 0.502 0.795 479 HG SER 61 HG SER 61 16.691 1.197 1.402 480 HA PRO 62 HA PRO 62 10.668 3.886 -0.146 481 HB2 PRO 62 1HB PRO 62 11.104 2.651 -2.799 482 HB3 PRO 62 2HB PRO 62 10.493 4.259 -2.396 483 HG2 PRO 62 1HG PRO 62 12.950 3.914 -3.410 484 HG3 PRO 62 2HG PRO 62 12.613 5.160 -2.193 485 HD2 PRO 62 1HD PRO 62 13.918 2.487 -1.861 486 HD3 PRO 62 2HD PRO 62 14.324 4.041 -1.104 487 H GLN 63 H GLN 63 9.560 2.455 1.066 488 HA GLN 63 HA GLN 63 9.736 -0.395 0.539 489 HB2 GLN 63 1HB GLN 63 8.169 1.117 2.642 490 HB3 GLN 63 2HB GLN 63 8.400 -0.626 2.584 491 HG2 GLN 63 1HG GLN 63 10.743 -0.399 2.988 492 HG3 GLN 63 2HG GLN 63 10.650 1.354 2.836 493 HE21 GLN 63 2HE2 GLN 63 11.627 -0.245 5.054 494 HE22 GLN 63 1HE2 GLN 63 10.676 0.209 6.423 495 H THR 64 H THR 64 7.724 -1.687 0.420 496 HA THR 64 HA THR 64 5.513 -0.232 -0.849 497 HB THR 64 HB THR 64 6.768 -2.801 -1.845 498 HG1 THR 64 HG1 THR 64 7.771 -1.473 -3.150 499 HG21 THR 64 3HG2 THR 64 4.296 -1.373 -2.837 500 HG22 THR 64 1HG2 THR 64 4.329 -2.931 -2.011 501 HG23 THR 64 2HG2 THR 64 5.062 -2.763 -3.606 502 H ILE 65 H ILE 65 3.651 -0.616 0.130 503 HA ILE 65 HA ILE 65 3.441 -2.959 1.892 504 HB ILE 65 HB ILE 65 1.724 -0.472 1.808 505 HG12 ILE 65 1HG1 ILE 65 3.957 0.039 2.622 506 HG13 ILE 65 2HG1 ILE 65 2.820 0.066 3.967 507 HG21 ILE 65 1HG2 ILE 65 1.737 -2.767 3.763 508 HG22 ILE 65 2HG2 ILE 65 0.479 -2.415 2.580 509 HG23 ILE 65 3HG2 ILE 65 0.775 -1.296 3.912 510 HD11 ILE 65 3HD1 ILE 65 4.914 -1.010 4.575 511 HD12 ILE 65 1HD1 ILE 65 4.686 -2.192 3.286 512 HD13 ILE 65 2HD1 ILE 65 3.567 -2.145 4.649 513 H ASN 66 H ASN 66 2.424 -4.647 1.062 514 HA ASN 66 HA ASN 66 0.599 -4.311 -1.172 515 HB2 ASN 66 1HB ASN 66 1.704 -6.783 0.175 516 HB3 ASN 66 2HB ASN 66 0.569 -6.825 -1.169 517 HD21 ASN 66 2HD2 ASN 66 3.235 -7.892 -1.027 518 HD22 ASN 66 1HD2 ASN 66 4.144 -7.131 -2.287 519 H ILE 67 H ILE 67 -1.402 -3.730 -0.655 520 HA ILE 67 HA ILE 67 -2.721 -5.137 1.577 521 HB ILE 67 HB ILE 67 -3.801 -2.668 0.220 522 HG12 ILE 67 1HG1 ILE 67 -2.026 -2.779 2.673 523 HG13 ILE 67 2HG1 ILE 67 -1.561 -2.128 1.103 524 HG21 ILE 67 1HG2 ILE 67 -5.030 -2.431 2.331 525 HG22 ILE 67 2HG2 ILE 67 -4.272 -3.907 2.931 526 HG23 ILE 67 3HG2 ILE 67 -5.365 -3.976 1.549 527 HD11 ILE 67 3HD1 ILE 67 -3.728 -1.049 2.893 528 HD12 ILE 67 1HD1 ILE 67 -3.268 -0.397 1.320 529 HD13 ILE 67 2HD1 ILE 67 -2.122 -0.357 2.659 530 H ILE 68 H ILE 68 -3.884 -6.823 0.879 531 HA ILE 68 HA ILE 68 -4.686 -6.892 -1.925 532 HB ILE 68 HB ILE 68 -4.451 -9.067 0.148 533 HG12 ILE 68 1HG1 ILE 68 -2.901 -8.466 -2.379 534 HG13 ILE 68 2HG1 ILE 68 -2.340 -8.169 -0.738 535 HG21 ILE 68 1HG2 ILE 68 -5.285 -9.307 -2.741 536 HG22 ILE 68 2HG2 ILE 68 -6.314 -9.581 -1.335 537 HG23 ILE 68 3HG2 ILE 68 -4.949 -10.652 -1.652 538 HD11 ILE 68 3HD1 ILE 68 -2.945 -10.857 -1.938 539 HD12 ILE 68 1HD1 ILE 68 -2.378 -10.561 -0.295 540 HD13 ILE 68 2HD1 ILE 68 -1.345 -10.168 -1.668 541 H TYR 69 H TYR 69 -6.669 -6.353 -2.462 542 HA TYR 69 HA TYR 69 -8.815 -6.697 -0.489 543 HB2 TYR 69 1HB TYR 69 -8.630 -4.903 -2.914 544 HB3 TYR 69 2HB TYR 69 -10.077 -5.080 -1.926 545 HD1 TYR 69 HD1 TYR 69 -6.639 -3.791 -2.018 546 HD2 TYR 69 HD2 TYR 69 -10.238 -4.041 0.235 547 HE1 TYR 69 HE1 TYR 69 -5.816 -2.032 -0.518 548 HE2 TYR 69 HE2 TYR 69 -9.424 -2.278 1.741 549 HH TYR 69 HH TYR 69 -6.616 -0.411 1.024 550 H GLN 70 H GLN 70 -10.748 -7.620 -1.058 551 HA GLN 70 HA GLN 70 -10.744 -9.199 -3.546 552 HB2 GLN 70 1HB GLN 70 -10.660 -10.470 -1.363 553 HB3 GLN 70 2HB GLN 70 -12.228 -9.782 -0.975 554 HG2 GLN 70 1HG GLN 70 -13.121 -10.846 -3.046 555 HG3 GLN 70 2HG GLN 70 -11.567 -11.662 -3.224 556 HE21 GLN 70 2HE2 GLN 70 -12.313 -13.717 -2.946 557 HE22 GLN 70 1HE2 GLN 70 -12.955 -14.298 -1.439 558 H LYS 71 H LYS 71 -12.300 -8.616 -4.981 559 HA LYS 71 HA LYS 71 -14.197 -6.587 -4.332 560 HB2 LYS 71 1HB LYS 71 -13.211 -7.027 -6.634 561 HB3 LYS 71 2HB LYS 71 -14.294 -8.410 -6.740 562 HG2 LYS 71 1HG LYS 71 -16.223 -6.938 -6.521 563 HG3 LYS 71 2HG LYS 71 -15.150 -5.544 -6.372 564 HD2 LYS 71 1HD LYS 71 -14.225 -6.137 -8.630 565 HD3 LYS 71 2HD LYS 71 -15.509 -7.340 -8.765 566 HE2 LYS 71 1HE LYS 71 -15.901 -4.371 -8.392 567 HE3 LYS 71 2HE LYS 71 -16.091 -5.252 -9.907 568 HZ1 LYS 71 3HZ LYS 71 -18.235 -4.955 -9.004 569 HZ2 LYS 71 1HZ LYS 71 -17.759 -5.474 -7.460 570 HZ3 LYS 71 2HZ LYS 71 -17.845 -6.584 -8.741 571 H LYS 72 H LYS 72 -16.300 -6.772 -3.727 572 HA LYS 72 HA LYS 72 -17.081 -9.317 -2.652 573 HB2 LYS 72 1HB LYS 72 -18.642 -6.733 -2.790 574 HB3 LYS 72 2HB LYS 72 -19.060 -8.143 -1.826 575 HG2 LYS 72 1HG LYS 72 -16.868 -7.863 -0.644 576 HG3 LYS 72 2HG LYS 72 -16.696 -6.321 -1.486 577 HD2 LYS 72 1HD LYS 72 -18.961 -7.089 0.351 578 HD3 LYS 72 2HD LYS 72 -17.612 -6.030 0.763 579 HE2 LYS 72 1HE LYS 72 -18.319 -4.462 -0.980 580 HE3 LYS 72 2HE LYS 72 -19.674 -5.521 -1.379 581 HZ1 LYS 72 3HZ LYS 72 -20.379 -3.727 0.067 582 HZ2 LYS 72 1HZ LYS 72 -19.226 -4.177 1.233 583 HZ3 LYS 72 2HZ LYS 72 -20.517 -5.218 0.872 584 H ALA 73 H ALA 73 -17.067 -10.391 -4.783 585 HA ALA 73 HA ALA 73 -18.960 -9.801 -6.789 586 HB1 ALA 73 3HB ALA 73 -18.495 -12.049 -7.626 587 HB2 ALA 73 1HB ALA 73 -17.675 -12.450 -6.118 588 HB3 ALA 73 2HB ALA 73 -17.003 -11.219 -7.188 589 HA PRO 74 HA PRO 74 -22.811 -10.848 -4.912 590 HB2 PRO 74 1HB PRO 74 -23.425 -11.941 -7.621 591 HB3 PRO 74 2HB PRO 74 -24.354 -10.812 -6.626 592 HG2 PRO 74 1HG PRO 74 -22.952 -9.934 -8.708 593 HG3 PRO 74 2HG PRO 74 -23.022 -9.003 -7.200 594 HD2 PRO 74 1HD PRO 74 -20.811 -10.681 -8.292 595 HD3 PRO 74 2HD PRO 74 -20.731 -9.177 -7.354 596 H GLU 75 H GLU 75 -22.933 -12.516 -3.581 597 HA GLU 75 HA GLU 75 -21.822 -15.065 -4.180 598 HB2 GLU 75 1HB GLU 75 -23.601 -14.206 -1.892 599 HB3 GLU 75 2HB GLU 75 -22.688 -15.709 -1.969 600 HG2 GLU 75 1HG GLU 75 -20.604 -14.483 -1.995 601 HG3 GLU 75 2HG GLU 75 -21.478 -12.954 -2.019 602 H GLN 76 H GLN 76 -25.123 -13.787 -3.968 603 HA GLN 76 HA GLN 76 -26.305 -16.213 -4.951 604 HB2 GLN 76 1HB GLN 76 -27.364 -13.379 -4.901 605 HB3 GLN 76 2HB GLN 76 -28.304 -14.782 -5.383 606 HG2 GLN 76 1HG GLN 76 -27.947 -15.732 -3.119 607 HG3 GLN 76 2HG GLN 76 -27.150 -14.226 -2.661 608 HE21 GLN 76 2HE2 GLN 76 -29.584 -15.459 -1.612 609 HE22 GLN 76 1HE2 GLN 76 -30.841 -14.283 -1.817 610 H ALA 77 H ALA 77 -25.606 -16.930 -6.862 611 HA ALA 77 HA ALA 77 -25.219 -14.971 -9.033 612 HB1 ALA 77 3HB ALA 77 -23.155 -16.075 -8.323 613 HB2 ALA 77 1HB ALA 77 -23.587 -16.516 -9.976 614 HB3 ALA 77 2HB ALA 77 -23.882 -17.647 -8.655 615 H LEU 78 H LEU 78 -25.140 -16.508 -11.216 616 HA LEU 78 HA LEU 78 -27.891 -17.392 -11.467 617 HB2 LEU 78 1HB LEU 78 -25.683 -17.210 -13.520 618 HB3 LEU 78 2HB LEU 78 -27.363 -17.577 -13.868 619 HG LEU 78 HG LEU 78 -26.324 -14.975 -12.742 620 HD11 LEU 78 1HD1 LEU 78 -27.435 -15.664 -15.458 621 HD12 LEU 78 2HD1 LEU 78 -25.752 -15.286 -15.086 622 HD13 LEU 78 3HD1 LEU 78 -26.996 -14.049 -14.902 623 HD21 LEU 78 3HD2 LEU 78 -28.614 -14.172 -13.054 624 HD22 LEU 78 1HD2 LEU 78 -28.544 -15.496 -11.890 625 HD23 LEU 78 2HD2 LEU 78 -29.116 -15.794 -13.531 626 H GLU 79 H GLU 79 -25.393 -18.858 -10.220 627 HA GLU 79 HA GLU 79 -26.326 -21.493 -11.030 628 HB2 GLU 79 1HB GLU 79 -24.248 -20.841 -12.386 629 HB3 GLU 79 2HB GLU 79 -23.365 -20.906 -10.867 630 HG2 GLU 79 1HG GLU 79 -24.070 -23.259 -10.605 631 HG3 GLU 79 2HG GLU 79 -24.833 -23.172 -12.191 632 H HIS 80 H HIS 80 -25.448 -23.177 -9.447 633 HA HIS 80 HA HIS 80 -25.960 -22.179 -6.813 634 HB2 HIS 80 1HB HIS 80 -25.171 -24.935 -7.775 635 HB3 HIS 80 2HB HIS 80 -25.582 -24.554 -6.106 636 HD1 HIS 80 HD1 HIS 80 -28.113 -23.572 -5.782 637 HD2 HIS 80 HD2 HIS 80 -27.304 -25.591 -9.332 638 HE1 HIS 80 HE1 HIS 80 -30.354 -24.183 -6.747 639 HE2 HIS 80 HE2 HIS 80 -29.844 -25.258 -8.969 640 H HIS 81 H HIS 81 -23.160 -22.580 -8.678 641 HA HIS 81 HA HIS 81 -21.532 -21.834 -6.356 642 HB2 HIS 81 1HB HIS 81 -20.755 -23.881 -8.450 643 HB3 HIS 81 2HB HIS 81 -19.640 -23.186 -7.280 644 HD1 HIS 81 HD1 HIS 81 -22.299 -25.722 -7.677 645 HD2 HIS 81 HD2 HIS 81 -19.999 -24.098 -4.621 646 HE1 HIS 81 HE1 HIS 81 -22.592 -27.269 -5.711 647 HE2 HIS 81 HE2 HIS 81 -20.993 -26.395 -3.964 648 H HIS 82 H HIS 82 -19.443 -20.848 -7.066 649 HA HIS 82 HA HIS 82 -19.808 -19.323 -9.555 650 HB2 HIS 82 1HB HIS 82 -17.834 -18.888 -7.294 651 HB3 HIS 82 2HB HIS 82 -18.039 -17.843 -8.694 652 HD1 HIS 82 HD1 HIS 82 -19.652 -18.809 -5.463 653 HD2 HIS 82 HD2 HIS 82 -20.193 -16.078 -8.552 654 HE1 HIS 82 HE1 HIS 82 -21.353 -17.158 -4.619 655 HE2 HIS 82 HE2 HIS 82 -21.507 -15.405 -6.424 656 H HIS 83 H HIS 83 -18.430 -19.591 -11.253 657 HA HIS 83 HA HIS 83 -16.629 -21.833 -11.190 658 HB2 HIS 83 1HB HIS 83 -17.155 -19.750 -13.325 659 HB3 HIS 83 2HB HIS 83 -16.073 -21.127 -13.533 660 HD1 HIS 83 HD1 HIS 83 -17.126 -23.399 -14.000 661 HD2 HIS 83 HD2 HIS 83 -19.914 -20.428 -13.162 662 HE1 HIS 83 HE1 HIS 83 -19.368 -24.401 -14.532 663 HE2 HIS 83 HE2 HIS 83 -21.039 -22.681 -13.760 664 H HIS 84 H HIS 84 -15.196 -21.366 -9.634 665 HA HIS 84 HA HIS 84 -12.883 -19.913 -9.931 666 HB2 HIS 84 1HB HIS 84 -14.553 -17.954 -10.019 667 HB3 HIS 84 2HB HIS 84 -14.887 -18.296 -8.329 668 HD1 HIS 84 HD1 HIS 84 -12.542 -16.569 -10.556 669 HD2 HIS 84 HD2 HIS 84 -12.645 -17.784 -6.578 670 HE1 HIS 84 HE1 HIS 84 -10.724 -15.270 -9.401 671 HE2 HIS 84 HE2 HIS 84 -10.929 -15.876 -6.963 672 H HIS 85 H HIS 85 -15.564 -20.727 -7.844 673 HA HIS 85 HA HIS 85 -13.898 -22.404 -6.213 674 HB2 HIS 85 1HB HIS 85 -14.820 -19.787 -5.236 675 HB3 HIS 85 2HB HIS 85 -15.239 -21.134 -4.182 676 HD1 HIS 85 HD1 HIS 85 -13.022 -22.790 -3.732 677 HD2 HIS 85 HD2 HIS 85 -12.370 -18.792 -4.688 678 HE1 HIS 85 HE1 HIS 85 -10.685 -22.276 -2.950 679 HE2 HIS 85 HE2 HIS 85 -10.374 -19.816 -3.391
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