NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
568779 | 2lt3 | 15977 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -22.124 -14.981 16.555 2 H2 GLY 1 2H GLY 1 -23.016 -13.750 15.943 3 H3 GLY 1 3H GLY 1 -23.513 -15.298 15.749 4 HA2 GLY 1 1HA GLY 1 -21.930 -15.815 14.164 5 HA3 GLY 1 2HA GLY 1 -22.449 -14.173 13.751 6 H SER 2 H SER 2 -19.932 -16.156 15.205 7 HA SER 2 HA SER 2 -18.023 -13.881 15.443 8 HB2 SER 2 1HB SER 2 -17.775 -16.797 16.283 9 HB3 SER 2 2HB SER 2 -16.606 -15.510 16.619 10 HG SER 2 HG SER 2 -17.889 -14.699 18.134 11 H HIS 3 H HIS 3 -16.178 -13.761 14.243 12 HA HIS 3 HA HIS 3 -15.133 -15.923 12.624 13 HB2 HIS 3 1HB HIS 3 -17.111 -14.254 11.371 14 HB3 HIS 3 2HB HIS 3 -15.572 -13.744 10.715 15 HD1 HIS 3 HD1 HIS 3 -17.579 -17.013 11.216 16 HD2 HIS 3 HD2 HIS 3 -14.545 -15.285 8.835 17 HE1 HIS 3 HE1 HIS 3 -17.098 -18.696 9.295 18 HE2 HIS 3 HE2 HIS 3 -15.234 -17.636 7.867 19 H MET 4 H MET 4 -12.994 -15.670 12.367 20 HA MET 4 HA MET 4 -11.751 -12.995 12.884 21 HB2 MET 4 1HB MET 4 -11.572 -14.851 14.691 22 HB3 MET 4 2HB MET 4 -10.387 -15.595 13.609 23 HG2 MET 4 1HG MET 4 -9.119 -13.417 13.616 24 HG3 MET 4 2HG MET 4 -10.342 -12.745 14.690 25 HE1 MET 4 3HE MET 4 -8.039 -12.654 17.452 26 HE2 MET 4 1HE MET 4 -9.242 -11.913 16.381 27 HE3 MET 4 2HE MET 4 -9.767 -12.990 17.693 28 H GLY 5 H GLY 5 -12.471 -13.411 10.429 29 HA2 GLY 5 1HA GLY 5 -10.147 -14.339 8.784 30 HA3 GLY 5 2HA GLY 5 -11.802 -14.103 8.219 31 H SER 6 H SER 6 -11.270 -12.718 6.579 32 HA SER 6 HA SER 6 -9.734 -10.294 6.783 33 HB2 SER 6 1HB SER 6 -11.932 -10.962 4.790 34 HB3 SER 6 2HB SER 6 -10.557 -9.865 4.554 35 HG SER 6 HG SER 6 -10.458 -12.155 3.685 36 H VAL 7 H VAL 7 -10.782 -8.110 6.233 37 HA VAL 7 HA VAL 7 -12.610 -7.249 8.239 38 HB VAL 7 HB VAL 7 -11.047 -5.738 7.238 39 HG11 VAL 7 1HG1 VAL 7 -11.347 -4.838 4.942 40 HG12 VAL 7 2HG1 VAL 7 -10.904 -6.534 5.005 41 HG13 VAL 7 3HG1 VAL 7 -12.583 -6.071 4.633 42 HG21 VAL 7 3HG2 VAL 7 -12.389 -3.772 6.870 43 HG22 VAL 7 1HG2 VAL 7 -13.829 -4.744 6.523 44 HG23 VAL 7 2HG2 VAL 7 -13.123 -4.741 8.157 45 H GLY 8 H GLY 8 -13.292 -8.495 5.041 46 HA2 GLY 8 1HA GLY 8 -15.567 -9.685 5.102 47 HA3 GLY 8 2HA GLY 8 -16.249 -8.084 5.397 48 H LEU 9 H LEU 9 -15.244 -6.397 3.755 49 HA LEU 9 HA LEU 9 -16.162 -7.080 1.101 50 HB2 LEU 9 1HB LEU 9 -15.518 -4.818 0.515 51 HB3 LEU 9 2HB LEU 9 -16.435 -4.817 1.996 52 HG LEU 9 HG LEU 9 -13.447 -4.944 2.353 53 HD11 LEU 9 1HD1 LEU 9 -13.526 -3.412 0.496 54 HD12 LEU 9 2HD1 LEU 9 -13.274 -2.476 1.992 55 HD13 LEU 9 3HD1 LEU 9 -14.873 -2.517 1.228 56 HD21 LEU 9 3HD2 LEU 9 -15.258 -2.887 3.590 57 HD22 LEU 9 1HD2 LEU 9 -13.842 -3.723 4.260 58 HD23 LEU 9 2HD2 LEU 9 -15.401 -4.563 4.135 59 H ARG 10 H ARG 10 -14.653 -6.183 -0.722 60 HA ARG 10 HA ARG 10 -12.046 -7.697 -0.649 61 HB2 ARG 10 1HB ARG 10 -14.191 -7.750 -2.791 62 HB3 ARG 10 2HB ARG 10 -12.490 -7.990 -3.197 63 HG2 ARG 10 1HG ARG 10 -13.324 -10.152 -2.907 64 HG3 ARG 10 2HG ARG 10 -12.360 -9.810 -1.477 65 HD2 ARG 10 1HD ARG 10 -14.900 -9.020 -0.675 66 HD3 ARG 10 2HD ARG 10 -15.286 -10.336 -1.759 67 HE ARG 10 HE ARG 10 -14.063 -10.460 0.878 68 HH11 ARG 10 1HH1 ARG 10 -14.295 -12.291 -2.093 69 HH12 ARG 10 2HH1 ARG 10 -13.841 -13.786 -1.323 70 HH21 ARG 10 1HH2 ARG 10 -13.472 -12.377 1.800 71 HH22 ARG 10 2HH2 ARG 10 -13.383 -13.823 0.837 72 H GLU 11 H GLU 11 -13.409 -5.676 -3.125 73 HA GLU 11 HA GLU 11 -11.267 -3.597 -2.781 74 HB2 GLU 11 1HB GLU 11 -11.547 -5.626 -4.899 75 HB3 GLU 11 2HB GLU 11 -11.434 -3.986 -5.533 76 HG2 GLU 11 1HG GLU 11 -9.342 -3.599 -4.490 77 HG3 GLU 11 2HG GLU 11 -9.470 -5.049 -3.478 78 H ILE 12 H ILE 12 -14.346 -4.493 -4.318 79 HA ILE 12 HA ILE 12 -14.996 -1.996 -5.433 80 HB ILE 12 HB ILE 12 -16.171 -3.931 -6.098 81 HG12 ILE 12 1HG1 ILE 12 -18.487 -3.184 -6.026 82 HG13 ILE 12 2HG1 ILE 12 -18.165 -2.127 -4.657 83 HG21 ILE 12 1HG2 ILE 12 -17.983 -4.389 -3.845 84 HG22 ILE 12 2HG2 ILE 12 -17.008 -5.536 -4.780 85 HG23 ILE 12 3HG2 ILE 12 -16.318 -4.701 -3.380 86 HD11 ILE 12 3HD1 ILE 12 -18.306 -0.952 -6.873 87 HD12 ILE 12 1HD1 ILE 12 -16.789 -0.655 -6.023 88 HD13 ILE 12 2HD1 ILE 12 -16.831 -1.804 -7.381 89 H ILE 13 H ILE 13 -14.889 -0.191 -4.407 90 HA ILE 13 HA ILE 13 -16.547 0.343 -2.023 91 HB ILE 13 HB ILE 13 -14.701 1.523 -0.943 92 HG12 ILE 13 1HG1 ILE 13 -12.312 0.576 -1.658 93 HG13 ILE 13 2HG1 ILE 13 -13.027 0.537 -3.258 94 HG21 ILE 13 1HG2 ILE 13 -13.743 -0.337 0.113 95 HG22 ILE 13 2HG2 ILE 13 -15.362 -0.814 -0.376 96 HG23 ILE 13 3HG2 ILE 13 -13.948 -1.371 -1.307 97 HD11 ILE 13 3HD1 ILE 13 -11.743 2.595 -2.739 98 HD12 ILE 13 1HD1 ILE 13 -13.421 2.940 -3.203 99 HD13 ILE 13 2HD1 ILE 13 -12.918 3.005 -1.492 100 H SER 14 H SER 14 -16.278 2.755 -1.451 101 HA SER 14 HA SER 14 -16.411 4.490 -3.868 102 HB2 SER 14 1HB SER 14 -18.211 5.705 -2.808 103 HB3 SER 14 2HB SER 14 -18.649 3.987 -2.834 104 HG SER 14 HG SER 14 -19.004 4.945 -0.755 105 H GLU 15 H GLU 15 -16.321 6.897 -2.982 106 HA GLU 15 HA GLU 15 -13.749 7.455 -2.034 107 HB2 GLU 15 1HB GLU 15 -15.240 8.971 -3.275 108 HB3 GLU 15 2HB GLU 15 -16.285 9.146 -1.880 109 HG2 GLU 15 1HG GLU 15 -13.415 9.813 -1.367 110 HG3 GLU 15 2HG GLU 15 -14.161 10.770 -2.628 111 H GLU 16 H GLU 16 -16.523 6.661 -0.105 112 HA GLU 16 HA GLU 16 -15.861 7.694 2.450 113 HB2 GLU 16 1HB GLU 16 -17.238 5.093 1.661 114 HB3 GLU 16 2HB GLU 16 -17.225 5.767 3.293 115 HG2 GLU 16 1HG GLU 16 -18.467 7.722 2.583 116 HG3 GLU 16 2HG GLU 16 -18.333 7.276 0.882 117 H ASP 17 H ASP 17 -15.153 4.370 1.259 118 HA ASP 17 HA ASP 17 -13.357 3.638 3.378 119 HB2 ASP 17 1HB ASP 17 -14.171 1.828 2.262 120 HB3 ASP 17 2HB ASP 17 -14.122 2.631 0.691 121 H VAL 18 H VAL 18 -12.777 5.154 0.157 122 HA VAL 18 HA VAL 18 -9.992 4.975 0.187 123 HB VAL 18 HB VAL 18 -11.599 7.298 -0.941 124 HG11 VAL 18 1HG1 VAL 18 -8.687 6.736 -0.894 125 HG12 VAL 18 2HG1 VAL 18 -9.329 7.177 -2.462 126 HG13 VAL 18 3HG1 VAL 18 -9.568 8.249 -1.072 127 HG21 VAL 18 3HG2 VAL 18 -11.001 5.862 -3.103 128 HG22 VAL 18 1HG2 VAL 18 -10.925 4.546 -1.918 129 HG23 VAL 18 2HG2 VAL 18 -12.398 5.491 -2.108 130 H LYS 19 H LYS 19 -11.942 7.647 1.560 131 HA LYS 19 HA LYS 19 -9.822 9.180 2.672 132 HB2 LYS 19 1HB LYS 19 -12.591 8.777 3.869 133 HB3 LYS 19 2HB LYS 19 -11.517 10.141 4.132 134 HG2 LYS 19 1HG LYS 19 -12.011 9.874 1.254 135 HG3 LYS 19 2HG LYS 19 -13.535 9.765 2.136 136 HD2 LYS 19 1HD LYS 19 -13.260 12.040 1.611 137 HD3 LYS 19 2HD LYS 19 -12.936 11.879 3.334 138 HE2 LYS 19 1HE LYS 19 -11.203 13.275 2.653 139 HE3 LYS 19 2HE LYS 19 -10.417 11.694 2.634 140 HZ1 LYS 19 3HZ LYS 19 -10.769 11.628 0.217 141 HZ2 LYS 19 1HZ LYS 19 -9.983 13.006 0.604 142 HZ3 LYS 19 2HZ LYS 19 -11.572 13.054 0.248 143 H GLN 20 H GLN 20 -11.529 6.378 4.059 144 HA GLN 20 HA GLN 20 -10.143 6.402 6.606 145 HB2 GLN 20 1HB GLN 20 -12.238 5.317 6.507 146 HB3 GLN 20 2HB GLN 20 -11.755 4.276 5.169 147 HG2 GLN 20 1HG GLN 20 -10.128 3.108 6.585 148 HG3 GLN 20 2HG GLN 20 -10.450 4.201 7.926 149 HE21 GLN 20 2HE2 GLN 20 -10.648 1.395 8.205 150 HE22 GLN 20 1HE2 GLN 20 -12.351 1.007 8.423 151 H VAL 21 H VAL 21 -9.605 4.536 3.579 152 HA VAL 21 HA VAL 21 -7.438 2.977 4.387 153 HB VAL 21 HB VAL 21 -8.007 4.188 1.736 154 HG11 VAL 21 1HG1 VAL 21 -6.501 2.234 0.870 155 HG12 VAL 21 2HG1 VAL 21 -5.736 3.714 1.447 156 HG13 VAL 21 3HG1 VAL 21 -5.838 2.293 2.519 157 HG21 VAL 21 3HG2 VAL 21 -8.872 2.148 1.009 158 HG22 VAL 21 1HG2 VAL 21 -8.278 1.271 2.427 159 HG23 VAL 21 2HG2 VAL 21 -9.620 2.432 2.569 160 H TYR 22 H TYR 22 -7.262 6.219 2.846 161 HA TYR 22 HA TYR 22 -4.463 6.566 2.988 162 HB2 TYR 22 1HB TYR 22 -6.820 8.422 2.969 163 HB3 TYR 22 2HB TYR 22 -5.232 9.058 3.345 164 HD1 TYR 22 HD1 TYR 22 -6.837 6.808 0.773 165 HD2 TYR 22 HD2 TYR 22 -3.850 9.811 1.608 166 HE1 TYR 22 HE1 TYR 22 -6.355 6.996 -1.632 167 HE2 TYR 22 HE2 TYR 22 -3.322 9.928 -0.812 168 HH TYR 22 HH TYR 22 -5.178 8.088 -3.244 169 H SER 23 H SER 23 -6.917 7.156 5.533 170 HA SER 23 HA SER 23 -5.214 8.259 7.508 171 HB2 SER 23 1HB SER 23 -7.900 7.746 7.306 172 HB3 SER 23 2HB SER 23 -7.413 6.560 8.523 173 HG SER 23 HG SER 23 -6.403 8.328 9.669 174 H ILE 24 H ILE 24 -5.530 4.916 6.505 175 HA ILE 24 HA ILE 24 -4.380 3.673 8.876 176 HB ILE 24 HB ILE 24 -4.462 2.521 6.057 177 HG12 ILE 24 1HG1 ILE 24 -6.647 2.244 8.154 178 HG13 ILE 24 2HG1 ILE 24 -6.728 3.303 6.748 179 HG21 ILE 24 1HG2 ILE 24 -4.352 1.254 8.827 180 HG22 ILE 24 2HG2 ILE 24 -4.534 0.369 7.307 181 HG23 ILE 24 3HG2 ILE 24 -3.055 1.276 7.613 182 HD11 ILE 24 3HD1 ILE 24 -6.511 1.393 5.209 183 HD12 ILE 24 1HD1 ILE 24 -6.666 0.302 6.618 184 HD13 ILE 24 2HD1 ILE 24 -7.966 1.451 6.223 185 H LEU 25 H LEU 25 -3.134 4.633 5.661 186 HA LEU 25 HA LEU 25 -0.381 3.995 6.471 187 HB2 LEU 25 1HB LEU 25 0.074 4.875 4.120 188 HB3 LEU 25 2HB LEU 25 -0.561 3.268 4.336 189 HG LEU 25 HG LEU 25 -2.515 5.477 3.798 190 HD11 LEU 25 1HD1 LEU 25 -0.459 5.355 2.023 191 HD12 LEU 25 2HD1 LEU 25 -2.147 5.667 1.580 192 HD13 LEU 25 3HD1 LEU 25 -1.442 4.054 1.383 193 HD21 LEU 25 3HD2 LEU 25 -3.643 3.630 2.624 194 HD22 LEU 25 1HD2 LEU 25 -3.211 3.082 4.253 195 HD23 LEU 25 2HD2 LEU 25 -2.216 2.584 2.890 196 H LYS 26 H LYS 26 -2.321 6.782 6.542 197 HA LYS 26 HA LYS 26 -0.544 8.908 6.225 198 HB2 LYS 26 1HB LYS 26 -3.138 8.492 7.360 199 HB3 LYS 26 2HB LYS 26 -2.229 9.331 8.581 200 HG2 LYS 26 1HG LYS 26 -3.354 10.968 7.260 201 HG3 LYS 26 2HG LYS 26 -1.630 11.086 6.876 202 HD2 LYS 26 1HD LYS 26 -2.066 9.692 4.808 203 HD3 LYS 26 2HD LYS 26 -3.783 9.701 5.207 204 HE2 LYS 26 1HE LYS 26 -2.528 12.397 5.134 205 HE3 LYS 26 2HE LYS 26 -2.422 11.521 3.609 206 HZ1 LYS 26 3HZ LYS 26 -4.903 12.261 5.054 207 HZ2 LYS 26 1HZ LYS 26 -4.909 11.170 3.835 208 HZ3 LYS 26 2HZ LYS 26 -4.448 12.704 3.551 209 H GLU 27 H GLU 27 -0.591 6.666 8.864 210 HA GLU 27 HA GLU 27 1.227 8.205 10.562 211 HB2 GLU 27 1HB GLU 27 -0.527 6.585 11.380 212 HB3 GLU 27 2HB GLU 27 0.467 5.261 10.770 213 HG2 GLU 27 1HG GLU 27 2.063 5.508 12.424 214 HG3 GLU 27 2HG GLU 27 1.880 7.255 12.508 215 H LYS 28 H LYS 28 3.360 7.926 10.856 216 HA LYS 28 HA LYS 28 4.908 6.298 8.879 217 HB2 LYS 28 1HB LYS 28 5.539 8.788 10.504 218 HB3 LYS 28 2HB LYS 28 6.743 7.931 9.559 219 HG2 LYS 28 1HG LYS 28 4.149 9.087 8.414 220 HG3 LYS 28 2HG LYS 28 5.691 9.922 8.402 221 HD2 LYS 28 1HD LYS 28 4.969 7.355 6.924 222 HD3 LYS 28 2HD LYS 28 5.300 8.925 6.231 223 HE2 LYS 28 1HE LYS 28 7.307 7.096 7.635 224 HE3 LYS 28 2HE LYS 28 7.206 7.449 5.915 225 HZ1 LYS 28 3HZ LYS 28 8.797 8.933 6.498 226 HZ2 LYS 28 1HZ LYS 28 8.287 9.133 8.037 227 HZ3 LYS 28 2HZ LYS 28 7.517 9.901 6.821 228 H ASP 29 H ASP 29 4.045 6.169 12.087 229 HA ASP 29 HA ASP 29 6.514 4.976 13.148 230 HB2 ASP 29 1HB ASP 29 3.799 5.221 14.477 231 HB3 ASP 29 2HB ASP 29 5.363 4.971 15.256 232 H ILE 30 H ILE 30 4.408 3.724 11.100 233 HA ILE 30 HA ILE 30 3.696 1.179 12.313 234 HB ILE 30 HB ILE 30 2.681 0.635 10.191 235 HG12 ILE 30 1HG1 ILE 30 2.705 2.614 8.447 236 HG13 ILE 30 2HG1 ILE 30 4.233 3.020 9.189 237 HG21 ILE 30 1HG2 ILE 30 2.118 3.478 11.125 238 HG22 ILE 30 2HG2 ILE 30 1.092 2.577 10.019 239 HG23 ILE 30 3HG2 ILE 30 1.347 1.971 11.662 240 HD11 ILE 30 3HD1 ILE 30 5.219 0.922 8.429 241 HD12 ILE 30 1HD1 ILE 30 3.630 0.214 8.119 242 HD13 ILE 30 2HD1 ILE 30 4.258 1.502 7.082 243 H SER 31 H SER 31 6.547 2.291 10.945 244 HA SER 31 HA SER 31 7.691 0.430 9.305 245 HB2 SER 31 1HB SER 31 8.952 2.321 9.812 246 HB3 SER 31 2HB SER 31 8.843 2.057 11.558 247 HG SER 31 HG SER 31 10.392 0.546 9.686 248 H VAL 32 H VAL 32 7.551 -1.673 9.351 249 HA VAL 32 HA VAL 32 7.401 -3.224 11.777 250 HB VAL 32 HB VAL 32 6.268 -3.787 9.605 251 HG11 VAL 32 1HG1 VAL 32 7.420 -5.093 7.934 252 HG12 VAL 32 2HG1 VAL 32 8.145 -3.482 8.062 253 HG13 VAL 32 3HG1 VAL 32 8.966 -4.888 8.784 254 HG21 VAL 32 3HG2 VAL 32 7.844 -6.186 10.456 255 HG22 VAL 32 1HG2 VAL 32 6.747 -5.384 11.610 256 HG23 VAL 32 2HG2 VAL 32 6.115 -5.954 10.067 257 H ASP 33 H ASP 33 8.835 -4.831 12.537 258 HA ASP 33 HA ASP 33 11.631 -4.078 12.568 259 HB2 ASP 33 1HB ASP 33 9.818 -5.831 14.053 260 HB3 ASP 33 2HB ASP 33 11.265 -6.720 13.623 261 H SER 34 H SER 34 13.464 -5.275 11.817 262 HA SER 34 HA SER 34 13.230 -6.458 9.223 263 HB2 SER 34 1HB SER 34 15.671 -6.955 9.562 264 HB3 SER 34 2HB SER 34 15.215 -5.256 9.789 265 HG SER 34 HG SER 34 16.622 -6.321 11.462 266 H THR 35 H THR 35 13.997 -7.968 12.387 267 HA THR 35 HA THR 35 14.262 -10.648 11.499 268 HB THR 35 HB THR 35 13.159 -9.628 14.148 269 HG1 THR 35 HG1 THR 35 15.782 -10.360 13.330 270 HG21 THR 35 3HG2 THR 35 12.713 -12.024 13.992 271 HG22 THR 35 1HG2 THR 35 14.072 -11.750 15.087 272 HG23 THR 35 2HG2 THR 35 14.373 -12.336 13.434 273 H THR 36 H THR 36 11.321 -8.882 12.412 274 HA THR 36 HA THR 36 9.527 -11.119 11.829 275 HB THR 36 HB THR 36 8.954 -8.182 12.380 276 HG1 THR 36 HG1 THR 36 8.790 -10.458 14.069 277 HG21 THR 36 3HG2 THR 36 6.722 -9.317 13.221 278 HG22 THR 36 1HG2 THR 36 7.145 -10.586 12.049 279 HG23 THR 36 2HG2 THR 36 6.937 -8.898 11.522 280 H TRP 37 H TRP 37 10.757 -8.340 9.978 281 HA TRP 37 HA TRP 37 8.938 -8.132 7.980 282 HB2 TRP 37 1HB TRP 37 10.766 -6.621 8.062 283 HB3 TRP 37 2HB TRP 37 11.935 -7.908 7.762 284 HD1 TRP 37 HD1 TRP 37 12.980 -7.230 5.536 285 HE1 TRP 37 HE1 TRP 37 12.107 -6.862 3.125 286 HE3 TRP 37 HE3 TRP 37 7.929 -7.212 6.459 287 HZ2 TRP 37 HZ2 TRP 37 9.545 -6.791 1.782 288 HZ3 TRP 37 HZ3 TRP 37 6.356 -7.177 4.635 289 HH2 TRP 37 HH2 TRP 37 7.100 -6.997 2.274 290 H ASN 38 H ASN 38 11.561 -10.504 8.033 291 HA ASN 38 HA ASN 38 11.225 -11.785 5.586 292 HB2 ASN 38 1HB ASN 38 11.906 -12.929 8.333 293 HB3 ASN 38 2HB ASN 38 12.071 -13.840 6.824 294 HD21 ASN 38 2HD2 ASN 38 14.362 -14.044 7.573 295 HD22 ASN 38 1HD2 ASN 38 15.432 -12.700 7.193 296 H ARG 39 H ARG 39 9.313 -12.395 8.532 297 HA ARG 39 HA ARG 39 7.598 -14.454 7.250 298 HB2 ARG 39 1HB ARG 39 7.570 -13.147 10.007 299 HB3 ARG 39 2HB ARG 39 6.292 -14.210 9.430 300 HG2 ARG 39 1HG ARG 39 7.757 -15.510 10.769 301 HG3 ARG 39 2HG ARG 39 7.922 -16.048 9.092 302 HD2 ARG 39 1HD ARG 39 10.039 -14.970 8.850 303 HD3 ARG 39 2HD ARG 39 9.828 -14.048 10.360 304 HE ARG 39 HE ARG 39 9.730 -16.770 11.064 305 HH11 ARG 39 1HH1 ARG 39 12.135 -14.592 9.793 306 HH12 ARG 39 2HH1 ARG 39 13.466 -15.521 10.431 307 HH21 ARG 39 1HH2 ARG 39 11.446 -17.859 11.949 308 HH22 ARG 39 2HH2 ARG 39 13.069 -17.310 11.649 309 H ARG 40 H ARG 40 7.334 -11.066 8.233 310 HA ARG 40 HA ARG 40 4.614 -10.550 7.598 311 HB2 ARG 40 1HB ARG 40 7.089 -8.883 7.480 312 HB3 ARG 40 2HB ARG 40 5.542 -8.190 7.017 313 HG2 ARG 40 1HG ARG 40 5.946 -9.622 9.653 314 HG3 ARG 40 2HG ARG 40 6.352 -7.915 9.406 315 HD2 ARG 40 1HD ARG 40 4.209 -7.228 9.376 316 HD3 ARG 40 2HD ARG 40 3.650 -8.633 8.476 317 HE ARG 40 HE ARG 40 3.232 -9.814 10.405 318 HH11 ARG 40 1HH1 ARG 40 4.691 -6.776 11.352 319 HH12 ARG 40 2HH1 ARG 40 4.344 -7.013 13.044 320 HH21 ARG 40 1HH2 ARG 40 2.759 -10.031 12.546 321 HH22 ARG 40 2HH2 ARG 40 3.246 -8.820 13.700 322 H TYR 41 H TYR 41 7.408 -10.700 5.442 323 HA TYR 41 HA TYR 41 6.240 -9.862 3.049 324 HB2 TYR 41 1HB TYR 41 8.668 -10.736 3.669 325 HB3 TYR 41 2HB TYR 41 8.070 -12.269 3.053 326 HD1 TYR 41 HD1 TYR 41 6.713 -11.960 0.656 327 HD2 TYR 41 HD2 TYR 41 9.824 -9.405 2.198 328 HE1 TYR 41 HE1 TYR 41 7.020 -10.971 -1.598 329 HE2 TYR 41 HE2 TYR 41 10.150 -8.437 -0.099 330 HH TYR 41 HH TYR 41 8.598 -9.788 -2.915 331 H ARG 42 H ARG 42 6.007 -13.038 4.613 332 HA ARG 42 HA ARG 42 4.591 -14.429 2.504 333 HB2 ARG 42 1HB ARG 42 4.572 -15.068 5.490 334 HB3 ARG 42 2HB ARG 42 4.084 -16.131 4.190 335 HG2 ARG 42 1HG ARG 42 6.921 -15.096 4.633 336 HG3 ARG 42 2HG ARG 42 6.291 -16.678 5.088 337 HD2 ARG 42 1HD ARG 42 5.595 -16.547 2.399 338 HD3 ARG 42 2HD ARG 42 7.126 -15.655 2.430 339 HE ARG 42 HE ARG 42 7.292 -18.140 3.917 340 HH11 ARG 42 1HH1 ARG 42 7.327 -17.011 0.614 341 HH12 ARG 42 2HH1 ARG 42 8.143 -18.439 0.035 342 HH21 ARG 42 1HH2 ARG 42 8.297 -19.934 3.141 343 HH22 ARG 42 2HH2 ARG 42 8.674 -20.060 1.449 344 H GLU 43 H GLU 43 3.313 -13.178 5.610 345 HA GLU 43 HA GLU 43 0.560 -13.606 4.980 346 HB2 GLU 43 1HB GLU 43 0.057 -11.785 6.633 347 HB3 GLU 43 2HB GLU 43 1.044 -13.133 7.228 348 HG2 GLU 43 1HG GLU 43 3.063 -11.752 6.966 349 HG3 GLU 43 2HG GLU 43 2.064 -10.372 6.478 350 H TYR 44 H TYR 44 2.488 -10.607 4.469 351 HA TYR 44 HA TYR 44 0.468 -9.169 3.089 352 HB2 TYR 44 1HB TYR 44 3.470 -9.005 2.936 353 HB3 TYR 44 2HB TYR 44 2.372 -7.823 2.271 354 HD1 TYR 44 HD2 TYR 44 0.471 -8.307 5.031 355 HD2 TYR 44 HD1 TYR 44 4.470 -7.093 4.047 356 HE1 TYR 44 HE2 TYR 44 0.600 -7.068 7.162 357 HE2 TYR 44 HE1 TYR 44 4.686 -6.014 6.390 358 HH TYR 44 HH TYR 44 1.839 -5.528 8.396 359 H MET 45 H MET 45 2.870 -11.470 1.732 360 HA MET 45 HA MET 45 2.269 -11.111 -0.993 361 HB2 MET 45 1HB MET 45 3.506 -13.248 0.653 362 HB3 MET 45 2HB MET 45 2.591 -13.895 -0.682 363 HG2 MET 45 1HG MET 45 3.853 -12.170 -2.143 364 HG3 MET 45 2HG MET 45 4.965 -12.058 -0.774 365 HE1 MET 45 3HE MET 45 7.108 -13.040 -2.253 366 HE2 MET 45 1HE MET 45 6.861 -14.342 -3.427 367 HE3 MET 45 2HE MET 45 5.949 -12.823 -3.592 368 H GLU 46 H GLU 46 0.392 -12.884 1.452 369 HA GLU 46 HA GLU 46 -1.468 -14.004 -0.546 370 HB2 GLU 46 1HB GLU 46 -1.940 -13.829 2.429 371 HB3 GLU 46 2HB GLU 46 -2.687 -14.907 1.220 372 HG2 GLU 46 1HG GLU 46 -0.541 -16.026 0.852 373 HG3 GLU 46 2HG GLU 46 0.249 -14.948 1.984 374 H LYS 47 H LYS 47 -1.408 -11.267 1.734 375 HA LYS 47 HA LYS 47 -4.059 -10.358 1.390 376 HB2 LYS 47 1HB LYS 47 -1.515 -8.882 2.055 377 HB3 LYS 47 2HB LYS 47 -2.968 -7.992 1.684 378 HG2 LYS 47 1HG LYS 47 -3.034 -8.058 3.919 379 HG3 LYS 47 2HG LYS 47 -4.181 -9.329 3.501 380 HD2 LYS 47 1HD LYS 47 -2.542 -11.021 4.222 381 HD3 LYS 47 2HD LYS 47 -1.262 -9.796 4.208 382 HE2 LYS 47 1HE LYS 47 -1.560 -9.737 6.418 383 HE3 LYS 47 2HE LYS 47 -2.782 -8.554 5.958 384 HZ1 LYS 47 3HZ LYS 47 -3.316 -11.418 6.556 385 HZ2 LYS 47 1HZ LYS 47 -4.453 -10.303 6.074 386 HZ3 LYS 47 2HZ LYS 47 -3.705 -10.143 7.502 387 H ILE 48 H ILE 48 -1.565 -10.340 -0.972 388 HA ILE 48 HA ILE 48 -2.626 -8.256 -2.662 389 HB ILE 48 HB ILE 48 -0.911 -10.519 -3.682 390 HG12 ILE 48 1HG1 ILE 48 0.255 -9.992 -1.682 391 HG13 ILE 48 2HG1 ILE 48 1.090 -9.174 -2.982 392 HG21 ILE 48 1HG2 ILE 48 0.115 -8.605 -4.917 393 HG22 ILE 48 2HG2 ILE 48 -1.577 -8.888 -5.342 394 HG23 ILE 48 3HG2 ILE 48 -1.139 -7.536 -4.278 395 HD11 ILE 48 3HD1 ILE 48 -0.687 -7.915 -0.851 396 HD12 ILE 48 1HD1 ILE 48 1.015 -7.600 -1.274 397 HD13 ILE 48 2HD1 ILE 48 -0.278 -7.043 -2.331 398 H LYS 49 H LYS 49 -3.560 -11.474 -2.154 399 HA LYS 49 HA LYS 49 -5.286 -11.624 -4.623 400 HB2 LYS 49 1HB LYS 49 -4.038 -13.849 -2.961 401 HB3 LYS 49 2HB LYS 49 -5.016 -14.073 -4.411 402 HG2 LYS 49 1HG LYS 49 -3.350 -13.215 -5.848 403 HG3 LYS 49 2HG LYS 49 -2.429 -12.471 -4.538 404 HD2 LYS 49 1HD LYS 49 -2.800 -15.480 -4.674 405 HD3 LYS 49 2HD LYS 49 -1.496 -14.638 -5.522 406 HE2 LYS 49 1HE LYS 49 -1.605 -13.571 -2.853 407 HE3 LYS 49 2HE LYS 49 -1.690 -15.317 -2.678 408 HZ1 LYS 49 3HZ LYS 49 0.596 -14.281 -2.768 409 HZ2 LYS 49 1HZ LYS 49 0.371 -13.957 -4.339 410 HZ3 LYS 49 2HZ LYS 49 0.393 -15.519 -3.838 411 H THR 50 H THR 50 -5.097 -12.217 -1.181 412 HA THR 50 HA THR 50 -8.059 -12.748 -1.020 413 HB THR 50 HB THR 50 -6.456 -14.585 -0.380 414 HG1 THR 50 HG1 THR 50 -8.591 -14.759 0.165 415 HG21 THR 50 3HG2 THR 50 -6.442 -13.154 2.265 416 HG22 THR 50 1HG2 THR 50 -5.170 -12.851 1.087 417 HG23 THR 50 2HG2 THR 50 -5.408 -14.502 1.697 418 H GLY 51 H GLY 51 -5.615 -10.550 -0.098 419 HA2 GLY 51 1HA GLY 51 -6.873 -9.547 2.309 420 HA3 GLY 51 2HA GLY 51 -5.528 -8.797 1.459 421 H SER 52 H SER 52 -8.030 -7.794 2.580 422 HA SER 52 HA SER 52 -9.634 -6.757 0.387 423 HB2 SER 52 1HB SER 52 -9.343 -6.057 3.320 424 HB3 SER 52 2HB SER 52 -10.656 -5.441 2.277 425 HG SER 52 HG SER 52 -11.493 -7.492 2.121 426 H VAL 53 H VAL 53 -9.949 -4.407 0.106 427 HA VAL 53 HA VAL 53 -7.846 -2.843 -0.685 428 HB VAL 53 HB VAL 53 -10.030 -2.235 -1.282 429 HG11 VAL 53 1HG1 VAL 53 -10.694 -1.661 1.632 430 HG12 VAL 53 2HG1 VAL 53 -11.757 -1.501 0.228 431 HG13 VAL 53 3HG1 VAL 53 -11.231 -3.098 0.749 432 HG21 VAL 53 3HG2 VAL 53 -10.062 0.083 -1.020 433 HG22 VAL 53 1HG2 VAL 53 -9.494 0.016 0.646 434 HG23 VAL 53 2HG2 VAL 53 -8.357 -0.273 -0.655 435 H PHE 54 H PHE 54 -9.273 -2.594 2.574 436 HA PHE 54 HA PHE 54 -7.476 -0.672 3.629 437 HB2 PHE 54 1HB PHE 54 -9.036 -2.916 4.975 438 HB3 PHE 54 2HB PHE 54 -8.231 -1.617 5.834 439 HD1 PHE 54 HD1 PHE 54 -8.914 0.838 4.490 440 HD2 PHE 54 HD2 PHE 54 -11.395 -2.630 4.967 441 HE1 PHE 54 HE1 PHE 54 -10.923 2.282 4.404 442 HE2 PHE 54 HE2 PHE 54 -13.416 -1.175 4.844 443 HZ PHE 54 HZ PHE 54 -13.176 1.277 4.618 444 H GLU 55 H GLU 55 -6.996 -4.077 3.078 445 HA GLU 55 HA GLU 55 -4.524 -4.246 4.697 446 HB2 GLU 55 1HB GLU 55 -5.853 -6.309 2.886 447 HB3 GLU 55 2HB GLU 55 -4.419 -6.527 3.863 448 HG2 GLU 55 1HG GLU 55 -5.721 -6.049 5.924 449 HG3 GLU 55 2HG GLU 55 -7.184 -5.886 4.945 450 H ILE 56 H ILE 56 -5.370 -4.403 1.159 451 HA ILE 56 HA ILE 56 -2.806 -4.599 0.069 452 HB ILE 56 HB ILE 56 -5.212 -3.042 -0.902 453 HG12 ILE 56 1HG1 ILE 56 -5.364 -5.513 -0.782 454 HG13 ILE 56 2HG1 ILE 56 -5.571 -4.839 -2.398 455 HG21 ILE 56 1HG2 ILE 56 -3.414 -1.884 -1.982 456 HG22 ILE 56 2HG2 ILE 56 -2.550 -3.390 -2.339 457 HG23 ILE 56 3HG2 ILE 56 -4.087 -2.997 -3.151 458 HD11 ILE 56 3HD1 ILE 56 -3.100 -6.249 -1.312 459 HD12 ILE 56 1HD1 ILE 56 -4.268 -6.849 -2.512 460 HD13 ILE 56 2HD1 ILE 56 -3.199 -5.498 -2.920 461 H ALA 57 H ALA 57 -4.465 -1.588 0.995 462 HA ALA 57 HA ALA 57 -2.305 0.131 0.338 463 HB1 ALA 57 3HB ALA 57 -3.575 1.778 1.284 464 HB2 ALA 57 1HB ALA 57 -4.813 0.563 1.000 465 HB3 ALA 57 2HB ALA 57 -4.133 0.754 2.640 466 H GLU 58 H GLU 58 -2.938 -1.592 3.432 467 HA GLU 58 HA GLU 58 -0.709 -0.482 4.898 468 HB2 GLU 58 1HB GLU 58 -2.529 -2.864 5.224 469 HB3 GLU 58 2HB GLU 58 -0.956 -2.960 5.987 470 HG2 GLU 58 1HG GLU 58 -1.703 -0.475 6.793 471 HG3 GLU 58 2HG GLU 58 -3.274 -1.232 6.612 472 H VAL 59 H VAL 59 -1.037 -3.286 2.753 473 HA VAL 59 HA VAL 59 1.475 -4.516 3.232 474 HB VAL 59 HB VAL 59 -0.152 -4.485 0.662 475 HG11 VAL 59 1HG1 VAL 59 1.770 -5.335 -0.184 476 HG12 VAL 59 2HG1 VAL 59 2.415 -5.778 1.410 477 HG13 VAL 59 3HG1 VAL 59 1.228 -6.812 0.634 478 HG21 VAL 59 3HG2 VAL 59 -1.375 -6.223 1.397 479 HG22 VAL 59 1HG2 VAL 59 -0.076 -6.911 2.396 480 HG23 VAL 59 2HG2 VAL 59 -1.021 -5.572 3.006 481 H LEU 60 H LEU 60 0.698 -2.497 0.356 482 HA LEU 60 HA LEU 60 3.397 -2.151 -0.451 483 HB2 LEU 60 1HB LEU 60 2.370 -1.392 -2.181 484 HB3 LEU 60 2HB LEU 60 0.836 -1.348 -1.368 485 HG LEU 60 HG LEU 60 2.779 0.999 -1.200 486 HD11 LEU 60 1HD1 LEU 60 2.323 0.374 -3.522 487 HD12 LEU 60 2HD1 LEU 60 1.729 1.960 -3.075 488 HD13 LEU 60 3HD1 LEU 60 0.587 0.582 -3.226 489 HD21 LEU 60 3HD2 LEU 60 1.062 1.345 0.405 490 HD22 LEU 60 1HD2 LEU 60 -0.150 0.527 -0.569 491 HD23 LEU 60 2HD2 LEU 60 0.433 2.153 -0.986 492 H ARG 61 H ARG 61 1.557 -0.292 1.887 493 HA ARG 61 HA ARG 61 3.355 1.898 2.292 494 HB2 ARG 61 1HB ARG 61 1.061 1.949 3.100 495 HB3 ARG 61 2HB ARG 61 1.311 0.500 4.036 496 HG2 ARG 61 1HG ARG 61 3.172 2.080 5.274 497 HG3 ARG 61 2HG ARG 61 2.089 3.313 4.695 498 HD2 ARG 61 1HD ARG 61 1.337 2.738 6.840 499 HD3 ARG 61 2HD ARG 61 0.180 2.000 5.721 500 HE ARG 61 HE ARG 61 2.021 -0.025 6.239 501 HH11 ARG 61 1HH1 ARG 61 -0.334 1.835 8.159 502 HH12 ARG 61 2HH1 ARG 61 -0.672 0.377 9.076 503 HH21 ARG 61 1HH2 ARG 61 1.661 -1.635 7.769 504 HH22 ARG 61 2HH2 ARG 61 0.305 -1.365 8.868 505 H ASP 62 H ASP 62 3.055 -1.188 4.091 506 HA ASP 62 HA ASP 62 5.274 -0.754 5.837 507 HB2 ASP 62 1HB ASP 62 3.738 -3.157 4.896 508 HB3 ASP 62 2HB ASP 62 5.367 -3.448 5.497 509 H LEU 63 H LEU 63 5.179 -2.412 2.654 510 HA LEU 63 HA LEU 63 7.969 -2.868 2.424 511 HB2 LEU 63 1HB LEU 63 5.771 -2.531 0.356 512 HB3 LEU 63 2HB LEU 63 7.462 -2.694 -0.096 513 HG LEU 63 HG LEU 63 7.435 -4.773 1.538 514 HD11 LEU 63 1HD1 LEU 63 4.517 -4.576 0.695 515 HD12 LEU 63 2HD1 LEU 63 5.141 -4.574 2.366 516 HD13 LEU 63 3HD1 LEU 63 5.264 -6.023 1.373 517 HD21 LEU 63 3HD2 LEU 63 7.538 -4.573 -1.129 518 HD22 LEU 63 1HD2 LEU 63 5.993 -5.416 -0.989 519 HD23 LEU 63 2HD2 LEU 63 7.467 -6.114 -0.274 520 H TYR 64 H TYR 64 6.178 0.086 1.537 521 HA TYR 64 HA TYR 64 8.440 1.454 0.446 522 HB2 TYR 64 1HB TYR 64 5.673 2.122 1.257 523 HB3 TYR 64 2HB TYR 64 6.797 3.432 1.541 524 HD1 TYR 64 HD1 TYR 64 8.486 3.987 -0.353 525 HD2 TYR 64 HD2 TYR 64 4.804 1.847 -0.955 526 HE1 TYR 64 HE1 TYR 64 8.498 4.649 -2.743 527 HE2 TYR 64 HE2 TYR 64 4.812 2.468 -3.342 528 HH TYR 64 HH TYR 64 7.346 4.719 -4.654 529 H LEU 65 H LEU 65 7.106 1.554 3.781 530 HA LEU 65 HA LEU 65 9.231 3.302 4.740 531 HB2 LEU 65 1HB LEU 65 7.285 1.550 6.290 532 HB3 LEU 65 2HB LEU 65 8.336 2.789 6.983 533 HG LEU 65 HG LEU 65 5.966 3.199 5.124 534 HD11 LEU 65 1HD1 LEU 65 6.042 3.005 7.829 535 HD12 LEU 65 2HD1 LEU 65 4.888 4.042 6.953 536 HD13 LEU 65 3HD1 LEU 65 6.364 4.717 7.682 537 HD21 LEU 65 3HD2 LEU 65 6.409 5.622 5.307 538 HD22 LEU 65 1HD2 LEU 65 7.663 4.800 4.376 539 HD23 LEU 65 2HD2 LEU 65 7.995 5.268 6.056 540 H LEU 66 H LEU 66 8.950 -0.166 4.534 541 HA LEU 66 HA LEU 66 11.054 -1.018 6.214 542 HB2 LEU 66 1HB LEU 66 9.626 -2.008 3.766 543 HB3 LEU 66 2HB LEU 66 11.150 -2.788 4.103 544 HG LEU 66 HG LEU 66 9.130 -2.423 6.338 545 HD11 LEU 66 1HD1 LEU 66 9.152 -4.606 4.241 546 HD12 LEU 66 2HD1 LEU 66 7.846 -3.482 4.571 547 HD13 LEU 66 3HD1 LEU 66 8.249 -4.662 5.783 548 HD21 LEU 66 3HD2 LEU 66 11.387 -4.379 5.686 549 HD22 LEU 66 1HD2 LEU 66 10.270 -4.604 7.025 550 HD23 LEU 66 2HD2 LEU 66 11.333 -3.194 7.011 551 H LYS 67 H LYS 67 11.197 0.312 2.976 552 HA LYS 67 HA LYS 67 14.136 -0.011 2.783 553 HB2 LYS 67 1HB LYS 67 12.175 -0.155 0.957 554 HB3 LYS 67 2HB LYS 67 12.507 1.571 0.808 555 HG2 LYS 67 1HG LYS 67 14.631 -0.625 0.597 556 HG3 LYS 67 2HG LYS 67 13.675 -0.071 -0.762 557 HD2 LYS 67 1HD LYS 67 14.532 2.302 -0.244 558 HD3 LYS 67 2HD LYS 67 15.700 1.508 0.839 559 HE2 LYS 67 1HE LYS 67 16.394 0.067 -1.123 560 HE3 LYS 67 2HE LYS 67 15.405 1.098 -2.167 561 HZ1 LYS 67 3HZ LYS 67 17.877 1.672 -1.893 562 HZ2 LYS 67 1HZ LYS 67 17.491 2.275 -0.429 563 HZ3 LYS 67 2HZ LYS 67 16.823 2.910 -1.785 564 H GLY 68 H GLY 68 11.811 2.490 3.593 565 HA2 GLY 68 1HA GLY 68 12.082 4.600 4.529 566 HA3 GLY 68 2HA GLY 68 13.787 4.224 4.786 567 H ASP 69 H ASP 69 12.455 4.052 1.552 568 HA ASP 69 HA ASP 69 13.423 6.674 0.699 569 HB2 ASP 69 1HB ASP 69 15.315 4.642 0.752 570 HB3 ASP 69 2HB ASP 69 14.654 4.463 -0.869 571 H LYS 70 H LYS 70 13.241 6.777 -1.832 572 HA LYS 70 HA LYS 70 10.469 6.075 -2.446 573 HB2 LYS 70 1HB LYS 70 12.128 7.330 -4.575 574 HB3 LYS 70 2HB LYS 70 10.531 7.732 -3.952 575 HG2 LYS 70 1HG LYS 70 11.618 8.866 -2.003 576 HG3 LYS 70 2HG LYS 70 13.201 8.374 -2.620 577 HD2 LYS 70 1HD LYS 70 12.771 10.657 -3.096 578 HD3 LYS 70 2HD LYS 70 13.036 9.708 -4.551 579 HE2 LYS 70 1HE LYS 70 10.215 10.304 -3.560 580 HE3 LYS 70 2HE LYS 70 11.130 11.539 -4.424 581 HZ1 LYS 70 3HZ LYS 70 11.326 9.240 -5.970 582 HZ2 LYS 70 1HZ LYS 70 10.510 10.601 -6.317 583 HZ3 LYS 70 2HZ LYS 70 9.743 9.376 -5.569 584 H ASP 71 H ASP 71 13.510 5.573 -4.166 585 HA ASP 71 HA ASP 71 12.327 3.601 -5.988 586 HB2 ASP 71 1HB ASP 71 14.083 5.206 -6.711 587 HB3 ASP 71 2HB ASP 71 15.240 4.408 -5.645 588 H LEU 72 H LEU 72 11.547 2.049 -4.556 589 HA LEU 72 HA LEU 72 13.033 0.785 -2.538 590 HB2 LEU 72 1HB LEU 72 10.817 -0.533 -4.141 591 HB3 LEU 72 2HB LEU 72 11.361 -0.962 -2.521 592 HG LEU 72 HG LEU 72 9.861 1.536 -3.361 593 HD11 LEU 72 1HD1 LEU 72 8.090 0.707 -2.156 594 HD12 LEU 72 2HD1 LEU 72 9.068 -0.392 -1.162 595 HD13 LEU 72 3HD1 LEU 72 8.757 -0.806 -2.834 596 HD21 LEU 72 3HD2 LEU 72 10.835 0.851 -0.564 597 HD22 LEU 72 1HD2 LEU 72 9.888 2.258 -1.042 598 HD23 LEU 72 2HD2 LEU 72 11.548 2.135 -1.580 599 H SER 73 H SER 73 13.864 -1.430 -2.386 600 HA SER 73 HA SER 73 15.793 -1.964 -4.507 601 HB2 SER 73 1HB SER 73 16.081 -2.467 -1.993 602 HB3 SER 73 2HB SER 73 15.014 -3.861 -2.268 603 HG SER 73 HG SER 73 17.564 -3.310 -3.419 604 H PHE 74 H PHE 74 15.942 -4.139 -5.565 605 HA PHE 74 HA PHE 74 13.666 -4.787 -7.125 606 HB2 PHE 74 1HB PHE 74 16.035 -5.337 -7.671 607 HB3 PHE 74 2HB PHE 74 16.020 -6.583 -6.429 608 HD1 PHE 74 HD2 PHE 74 14.716 -8.683 -6.758 609 HD2 PHE 74 HD1 PHE 74 14.846 -5.618 -9.794 610 HE1 PHE 74 HE2 PHE 74 13.811 -10.286 -8.419 611 HE2 PHE 74 HE1 PHE 74 13.928 -7.225 -11.450 612 HZ PHE 74 HZ PHE 74 13.403 -9.559 -10.765 613 H GLY 75 H GLY 75 14.764 -6.203 -4.041 614 HA2 GLY 75 1HA GLY 75 12.928 -8.390 -3.929 615 HA3 GLY 75 2HA GLY 75 13.694 -7.627 -2.530 616 H GLU 76 H GLU 76 12.595 -5.115 -2.341 617 HA GLU 76 HA GLU 76 9.860 -5.662 -1.528 618 HB2 GLU 76 1HB GLU 76 11.451 -3.083 -1.765 619 HB3 GLU 76 2HB GLU 76 9.771 -3.127 -1.249 620 HG2 GLU 76 1HG GLU 76 11.078 -3.075 0.736 621 HG3 GLU 76 2HG GLU 76 10.375 -4.684 0.607 622 H ARG 77 H ARG 77 11.252 -4.003 -4.362 623 HA ARG 77 HA ARG 77 8.871 -3.086 -5.558 624 HB2 ARG 77 1HB ARG 77 11.210 -2.525 -6.258 625 HB3 ARG 77 2HB ARG 77 11.354 -4.135 -6.963 626 HG2 ARG 77 1HG ARG 77 10.929 -2.503 -8.677 627 HG3 ARG 77 2HG ARG 77 9.536 -3.578 -8.583 628 HD2 ARG 77 1HD ARG 77 8.157 -1.933 -7.627 629 HD3 ARG 77 2HD ARG 77 9.533 -0.994 -7.007 630 HE ARG 77 HE ARG 77 9.783 -0.948 -9.799 631 HH11 ARG 77 1HH1 ARG 77 7.445 0.262 -7.523 632 HH12 ARG 77 2HH1 ARG 77 6.987 1.591 -8.555 633 HH21 ARG 77 1HH2 ARG 77 9.275 0.832 -11.006 634 HH22 ARG 77 2HH2 ARG 77 8.076 1.951 -10.440 635 H LYS 78 H LYS 78 10.171 -6.386 -5.624 636 HA LYS 78 HA LYS 78 8.557 -7.469 -7.660 637 HB2 LYS 78 1HB LYS 78 9.575 -8.704 -5.080 638 HB3 LYS 78 2HB LYS 78 8.657 -9.639 -6.224 639 HG2 LYS 78 1HG LYS 78 10.915 -8.208 -7.521 640 HG3 LYS 78 2HG LYS 78 11.414 -9.247 -6.191 641 HD2 LYS 78 1HD LYS 78 11.548 -10.737 -7.886 642 HD3 LYS 78 2HD LYS 78 9.923 -11.088 -7.357 643 HE2 LYS 78 1HE LYS 78 10.746 -9.329 -9.726 644 HE3 LYS 78 2HE LYS 78 10.193 -10.998 -9.815 645 HZ1 LYS 78 3HZ LYS 78 8.191 -10.084 -10.128 646 HZ2 LYS 78 1HZ LYS 78 8.608 -8.619 -9.574 647 HZ3 LYS 78 2HZ LYS 78 8.137 -9.802 -8.528 648 H MET 79 H MET 79 7.674 -7.453 -4.199 649 HA MET 79 HA MET 79 4.925 -8.332 -4.817 650 HB2 MET 79 1HB MET 79 6.183 -9.018 -2.761 651 HB3 MET 79 2HB MET 79 6.050 -7.360 -2.175 652 HG2 MET 79 1HG MET 79 3.415 -8.099 -2.895 653 HG3 MET 79 2HG MET 79 4.098 -9.564 -2.215 654 HE1 MET 79 3HE MET 79 5.003 -9.754 0.306 655 HE2 MET 79 1HE MET 79 6.113 -8.384 0.036 656 HE3 MET 79 2HE MET 79 5.037 -8.387 1.441 657 H LEU 80 H LEU 80 6.520 -5.278 -3.845 658 HA LEU 80 HA LEU 80 4.238 -3.659 -3.505 659 HB2 LEU 80 1HB LEU 80 6.593 -3.019 -2.944 660 HB3 LEU 80 2HB LEU 80 6.932 -2.934 -4.669 661 HG LEU 80 HG LEU 80 4.735 -1.272 -4.473 662 HD11 LEU 80 1HD1 LEU 80 6.224 -0.322 -2.100 663 HD12 LEU 80 2HD1 LEU 80 5.052 -1.619 -1.890 664 HD13 LEU 80 3HD1 LEU 80 4.553 -0.081 -2.605 665 HD21 LEU 80 3HD2 LEU 80 6.384 -0.485 -5.774 666 HD22 LEU 80 1HD2 LEU 80 7.666 -0.800 -4.621 667 HD23 LEU 80 2HD2 LEU 80 6.600 0.583 -4.353 668 H ASP 81 H ASP 81 6.001 -4.389 -6.585 669 HA ASP 81 HA ASP 81 4.607 -2.773 -8.386 670 HB2 ASP 81 1HB ASP 81 6.511 -4.057 -9.060 671 HB3 ASP 81 2HB ASP 81 5.739 -5.579 -8.612 672 H THR 82 H THR 82 3.547 -5.894 -7.027 673 HA THR 82 HA THR 82 1.077 -5.978 -8.557 674 HB THR 82 HB THR 82 1.539 -7.489 -5.988 675 HG1 THR 82 HG1 THR 82 2.538 -8.235 -8.532 676 HG21 THR 82 3HG2 THR 82 0.247 -8.220 -8.673 677 HG22 THR 82 1HG2 THR 82 -0.643 -7.684 -7.238 678 HG23 THR 82 2HG2 THR 82 0.251 -9.220 -7.207 679 H ALA 83 H ALA 83 1.816 -5.301 -5.076 680 HA ALA 83 HA ALA 83 -0.813 -4.541 -4.313 681 HB1 ALA 83 3HB ALA 83 0.893 -5.063 -2.678 682 HB2 ALA 83 1HB ALA 83 1.864 -3.659 -3.181 683 HB3 ALA 83 2HB ALA 83 0.274 -3.432 -2.405 684 H ARG 84 H ARG 84 1.651 -2.592 -5.927 685 HA ARG 84 HA ARG 84 0.448 0.009 -5.744 686 HB2 ARG 84 1HB ARG 84 2.343 -1.326 -7.710 687 HB3 ARG 84 2HB ARG 84 1.730 0.288 -8.051 688 HG2 ARG 84 1HG ARG 84 2.971 -0.386 -5.393 689 HG3 ARG 84 2HG ARG 84 3.980 0.014 -6.775 690 HD2 ARG 84 1HD ARG 84 1.664 1.854 -6.085 691 HD3 ARG 84 2HD ARG 84 3.088 1.899 -5.071 692 HE ARG 84 HE ARG 84 2.847 2.980 -7.741 693 HH11 ARG 84 1HH1 ARG 84 5.150 1.575 -5.600 694 HH12 ARG 84 2HH1 ARG 84 6.390 2.702 -6.014 695 HH21 ARG 84 1HH2 ARG 84 4.601 4.169 -8.538 696 HH22 ARG 84 2HH2 ARG 84 6.161 3.966 -7.806 697 H SER 85 H SER 85 0.223 -2.404 -8.357 698 HA SER 85 HA SER 85 -1.641 -0.976 -9.953 699 HB2 SER 85 1HB SER 85 -0.232 -3.096 -10.500 700 HB3 SER 85 2HB SER 85 -1.623 -3.994 -9.861 701 HG SER 85 HG SER 85 -2.908 -2.654 -11.385 702 H LEU 86 H LEU 86 -2.157 -2.826 -7.061 703 HA LEU 86 HA LEU 86 -5.096 -2.826 -7.343 704 HB2 LEU 86 1HB LEU 86 -3.218 -3.839 -5.167 705 HB3 LEU 86 2HB LEU 86 -4.958 -4.082 -5.145 706 HG LEU 86 HG LEU 86 -3.353 -5.102 -7.525 707 HD11 LEU 86 1HD1 LEU 86 -2.189 -5.881 -5.484 708 HD12 LEU 86 2HD1 LEU 86 -2.935 -7.184 -6.414 709 HD13 LEU 86 3HD1 LEU 86 -3.710 -6.615 -4.923 710 HD21 LEU 86 3HD2 LEU 86 -5.787 -5.262 -7.663 711 HD22 LEU 86 1HD2 LEU 86 -5.849 -6.039 -6.065 712 HD23 LEU 86 2HD2 LEU 86 -5.099 -6.882 -7.436 713 H LEU 87 H LEU 87 -2.610 -1.202 -5.399 714 HA LEU 87 HA LEU 87 -4.148 0.211 -3.549 715 HB2 LEU 87 1HB LEU 87 -1.681 0.241 -3.572 716 HB3 LEU 87 2HB LEU 87 -1.684 1.099 -5.121 717 HG LEU 87 HG LEU 87 -2.976 2.980 -3.948 718 HD11 LEU 87 1HD1 LEU 87 -2.569 3.171 -1.518 719 HD12 LEU 87 2HD1 LEU 87 -1.867 1.543 -1.513 720 HD13 LEU 87 3HD1 LEU 87 -3.580 1.756 -1.879 721 HD21 LEU 87 3HD2 LEU 87 -0.259 2.768 -2.870 722 HD22 LEU 87 1HD2 LEU 87 -1.100 4.115 -3.597 723 HD23 LEU 87 2HD2 LEU 87 -0.470 2.832 -4.629 724 H ILE 88 H ILE 88 -3.114 1.398 -6.785 725 HA ILE 88 HA ILE 88 -4.920 3.615 -6.545 726 HB ILE 88 HB ILE 88 -4.239 4.422 -8.564 727 HG12 ILE 88 1HG1 ILE 88 -4.796 2.515 -10.034 728 HG13 ILE 88 2HG1 ILE 88 -3.211 3.207 -10.393 729 HG21 ILE 88 1HG2 ILE 88 -2.399 4.221 -6.895 730 HG22 ILE 88 2HG2 ILE 88 -1.793 2.823 -7.766 731 HG23 ILE 88 3HG2 ILE 88 -1.903 4.406 -8.581 732 HD11 ILE 88 3HD1 ILE 88 -3.340 0.730 -10.516 733 HD12 ILE 88 1HD1 ILE 88 -2.096 1.336 -9.414 734 HD13 ILE 88 2HD1 ILE 88 -3.635 0.698 -8.770 735 H LYS 89 H LYS 89 -5.495 0.424 -7.527 736 HA LYS 89 HA LYS 89 -7.643 0.782 -9.438 737 HB2 LYS 89 1HB LYS 89 -6.434 -1.262 -9.392 738 HB3 LYS 89 2HB LYS 89 -6.796 -1.542 -7.689 739 HG2 LYS 89 1HG LYS 89 -9.118 -1.957 -8.129 740 HG3 LYS 89 2HG LYS 89 -8.908 -1.576 -9.849 741 HD2 LYS 89 1HD LYS 89 -7.472 -3.832 -8.362 742 HD3 LYS 89 2HD LYS 89 -8.968 -4.017 -9.289 743 HE2 LYS 89 1HE LYS 89 -7.582 -2.872 -11.220 744 HE3 LYS 89 2HE LYS 89 -6.172 -3.398 -10.293 745 HZ1 LYS 89 3HZ LYS 89 -7.120 -4.990 -12.047 746 HZ2 LYS 89 1HZ LYS 89 -8.343 -5.286 -11.013 747 HZ3 LYS 89 2HZ LYS 89 -6.809 -5.653 -10.585 748 H GLU 90 H GLU 90 -7.739 -0.000 -5.972 749 HA GLU 90 HA GLU 90 -10.644 0.305 -5.766 750 HB2 GLU 90 1HB GLU 90 -10.232 0.158 -3.340 751 HB3 GLU 90 2HB GLU 90 -9.533 -1.156 -4.270 752 HG2 GLU 90 1HG GLU 90 -7.443 0.709 -4.133 753 HG3 GLU 90 2HG GLU 90 -8.234 0.945 -2.607 754 H LEU 91 H LEU 91 -7.851 2.363 -4.865 755 HA LEU 91 HA LEU 91 -9.434 4.561 -3.958 756 HB2 LEU 91 1HB LEU 91 -6.548 4.476 -4.902 757 HB3 LEU 91 2HB LEU 91 -7.298 5.770 -3.936 758 HG LEU 91 HG LEU 91 -6.922 2.890 -3.008 759 HD11 LEU 91 1HD1 LEU 91 -5.234 4.042 -1.425 760 HD12 LEU 91 2HD1 LEU 91 -5.262 5.379 -2.599 761 HD13 LEU 91 3HD1 LEU 91 -4.781 3.765 -3.102 762 HD21 LEU 91 3HD2 LEU 91 -8.767 4.467 -1.917 763 HD22 LEU 91 1HD2 LEU 91 -7.353 5.027 -1.004 764 HD23 LEU 91 2HD2 LEU 91 -7.798 3.321 -1.005 765 H SER 92 H SER 92 -8.618 3.610 -7.159 766 HA SER 92 HA SER 92 -8.680 5.752 -8.790 767 HB2 SER 92 1HB SER 92 -8.574 3.498 -9.668 768 HB3 SER 92 2HB SER 92 -10.229 3.175 -9.128 769 HG SER 92 HG SER 92 -10.213 3.604 -11.315 770 H LEU 93 H LEU 93 -11.503 4.532 -7.104 771 HA LEU 93 HA LEU 93 -13.493 6.053 -8.385 772 HB2 LEU 93 1HB LEU 93 -13.487 4.079 -6.545 773 HB3 LEU 93 2HB LEU 93 -13.714 5.423 -5.442 774 HG LEU 93 HG LEU 93 -15.818 4.394 -6.064 775 HD11 LEU 93 1HD1 LEU 93 -15.685 7.096 -7.446 776 HD12 LEU 93 2HD1 LEU 93 -15.770 6.865 -5.684 777 HD13 LEU 93 3HD1 LEU 93 -17.102 6.319 -6.724 778 HD21 LEU 93 3HD2 LEU 93 -16.712 4.274 -8.271 779 HD22 LEU 93 1HD2 LEU 93 -15.091 3.562 -8.324 780 HD23 LEU 93 2HD2 LEU 93 -15.371 5.197 -8.962 781 H ALA 94 H ALA 94 -11.801 6.856 -5.355 782 HA ALA 94 HA ALA 94 -12.837 9.605 -5.267 783 HB1 ALA 94 3HB ALA 94 -10.846 8.006 -3.676 784 HB2 ALA 94 1HB ALA 94 -11.121 9.722 -3.343 785 HB3 ALA 94 2HB ALA 94 -12.453 8.569 -3.185 786 H LYS 95 H LYS 95 -10.002 8.088 -6.659 787 HA LYS 95 HA LYS 95 -8.222 10.275 -6.807 788 HB2 LYS 95 1HB LYS 95 -6.976 8.808 -7.842 789 HB3 LYS 95 2HB LYS 95 -8.329 7.682 -7.806 790 HG2 LYS 95 1HG LYS 95 -9.011 8.466 -10.060 791 HG3 LYS 95 2HG LYS 95 -7.572 9.499 -10.096 792 HD2 LYS 95 1HD LYS 95 -6.235 7.780 -10.699 793 HD3 LYS 95 2HD LYS 95 -6.893 6.703 -9.477 794 HE2 LYS 95 1HE LYS 95 -8.898 6.322 -10.892 795 HE3 LYS 95 2HE LYS 95 -8.189 7.294 -12.167 796 HZ1 LYS 95 3HZ LYS 95 -6.841 4.880 -11.077 797 HZ2 LYS 95 1HZ LYS 95 -6.458 5.703 -12.450 798 HZ3 LYS 95 2HZ LYS 95 -7.840 4.839 -12.363 799 H ASP 96 H ASP 96 -10.864 9.485 -8.976 800 HA ASP 96 HA ASP 96 -11.796 10.519 -10.793 801 HB2 ASP 96 1HB ASP 96 -12.546 11.702 -8.616 802 HB3 ASP 96 2HB ASP 96 -11.612 13.071 -9.186 803 H CYS 97 H CYS 97 -9.084 10.190 -11.264 804 HA CYS 97 HA CYS 97 -8.395 12.089 -13.305 805 HB2 CYS 97 1HB CYS 97 -7.799 13.075 -10.797 806 HB3 CYS 97 2HB CYS 97 -6.321 12.179 -11.139 807 HG CYS 97 HG CYS 97 -5.859 14.606 -11.820 808 H SER 98 H SER 98 -5.628 11.737 -13.373 809 HA SER 98 HA SER 98 -5.237 9.061 -14.439 810 HB2 SER 98 1HB SER 98 -3.533 11.497 -13.908 811 HB3 SER 98 2HB SER 98 -2.714 9.952 -14.170 812 HG SER 98 HG SER 98 -3.029 11.031 -16.141 813 H GLU 99 H GLU 99 -3.609 7.483 -13.665 814 HA GLU 99 HA GLU 99 -3.941 6.678 -10.952 815 HB2 GLU 99 1HB GLU 99 -1.744 5.972 -12.930 816 HB3 GLU 99 2HB GLU 99 -1.946 5.210 -11.336 817 HG2 GLU 99 1HG GLU 99 -4.275 4.560 -11.977 818 HG3 GLU 99 2HG GLU 99 -4.011 5.214 -13.590 819 H ASP 100 H ASP 100 -1.608 8.879 -12.305 820 HA ASP 100 HA ASP 100 0.340 9.111 -10.302 821 HB2 ASP 100 1HB ASP 100 -0.840 10.940 -12.368 822 HB3 ASP 100 2HB ASP 100 -0.024 11.723 -11.032 823 H GLU 101 H GLU 101 -3.085 10.154 -10.087 824 HA GLU 101 HA GLU 101 -2.783 12.019 -7.989 825 HB2 GLU 101 1HB GLU 101 -4.884 11.065 -9.468 826 HB3 GLU 101 2HB GLU 101 -5.159 10.188 -7.972 827 HG2 GLU 101 1HG GLU 101 -6.384 12.268 -8.056 828 HG3 GLU 101 2HG GLU 101 -5.225 12.299 -6.725 829 H ILE 102 H ILE 102 -3.372 8.492 -7.781 830 HA ILE 102 HA ILE 102 -2.891 8.426 -4.879 831 HB ILE 102 HB ILE 102 -3.392 6.254 -6.882 832 HG12 ILE 102 1HG1 ILE 102 -5.432 6.711 -4.810 833 HG13 ILE 102 2HG1 ILE 102 -5.204 8.167 -5.749 834 HG21 ILE 102 1HG2 ILE 102 -3.277 6.156 -3.830 835 HG22 ILE 102 2HG2 ILE 102 -3.870 4.849 -4.886 836 HG23 ILE 102 3HG2 ILE 102 -2.181 5.353 -4.965 837 HD11 ILE 102 3HD1 ILE 102 -5.669 5.432 -6.988 838 HD12 ILE 102 1HD1 ILE 102 -6.897 6.634 -6.685 839 HD13 ILE 102 2HD1 ILE 102 -5.549 6.989 -7.817 840 H GLU 103 H GLU 103 -1.200 7.268 -7.841 841 HA GLU 103 HA GLU 103 0.909 5.886 -6.578 842 HB2 GLU 103 1HB GLU 103 0.426 7.100 -9.252 843 HB3 GLU 103 2HB GLU 103 2.119 6.926 -8.842 844 HG2 GLU 103 1HG GLU 103 2.001 4.603 -8.573 845 HG3 GLU 103 2HG GLU 103 0.252 4.597 -8.449 846 H SER 104 H SER 104 0.724 9.344 -7.558 847 HA SER 104 HA SER 104 3.348 10.019 -6.486 848 HB2 SER 104 1HB SER 104 2.010 11.131 -8.441 849 HB3 SER 104 2HB SER 104 1.190 12.029 -7.142 850 HG SER 104 HG SER 104 3.025 13.082 -8.044 851 H ASP 105 H ASP 105 -0.043 10.245 -5.288 852 HA ASP 105 HA ASP 105 0.515 11.775 -2.955 853 HB2 ASP 105 1HB ASP 105 -1.635 9.795 -3.674 854 HB3 ASP 105 2HB ASP 105 -1.407 10.175 -1.994 855 H LEU 106 H LEU 106 1.444 8.474 -3.632 856 HA LEU 106 HA LEU 106 1.832 7.527 -0.988 857 HB2 LEU 106 1HB LEU 106 3.607 7.113 -3.448 858 HB3 LEU 106 2HB LEU 106 3.692 6.157 -1.985 859 HG LEU 106 HG LEU 106 1.314 6.305 -3.859 860 HD11 LEU 106 1HD1 LEU 106 1.845 4.064 -4.531 861 HD12 LEU 106 2HD1 LEU 106 3.176 3.975 -3.353 862 HD13 LEU 106 3HD1 LEU 106 3.289 5.064 -4.747 863 HD21 LEU 106 3HD2 LEU 106 0.046 5.339 -2.291 864 HD22 LEU 106 1HD2 LEU 106 1.307 5.571 -1.109 865 HD23 LEU 106 2HD2 LEU 106 1.272 4.074 -1.999 866 H LYS 107 H LYS 107 3.790 9.769 -2.868 867 HA LYS 107 HA LYS 107 5.983 9.915 -1.024 868 HB2 LYS 107 1HB LYS 107 6.829 11.545 -2.377 869 HB3 LYS 107 2HB LYS 107 5.739 10.756 -3.497 870 HG2 LYS 107 1HG LYS 107 4.023 12.595 -2.898 871 HG3 LYS 107 2HG LYS 107 5.277 13.362 -1.946 872 HD2 LYS 107 1HD LYS 107 4.984 14.398 -4.144 873 HD3 LYS 107 2HD LYS 107 6.625 13.796 -3.899 874 HE2 LYS 107 1HE LYS 107 6.242 11.863 -5.254 875 HE3 LYS 107 2HE LYS 107 4.502 12.222 -5.359 876 HZ1 LYS 107 3HZ LYS 107 5.405 12.995 -7.346 877 HZ2 LYS 107 1HZ LYS 107 6.711 13.718 -6.651 878 HZ3 LYS 107 2HZ LYS 107 5.206 14.353 -6.483 879 H LYS 108 H LYS 108 2.901 11.456 -1.019 880 HA LYS 108 HA LYS 108 3.511 13.389 1.134 881 HB2 LYS 108 1HB LYS 108 1.415 12.930 -0.887 882 HB3 LYS 108 2HB LYS 108 0.694 13.173 0.698 883 HG2 LYS 108 1HG LYS 108 1.611 15.304 0.959 884 HG3 LYS 108 2HG LYS 108 2.887 15.053 -0.235 885 HD2 LYS 108 1HD LYS 108 -0.019 15.043 -1.105 886 HD3 LYS 108 2HD LYS 108 0.830 16.559 -0.809 887 HE2 LYS 108 1HE LYS 108 2.612 14.985 -2.394 888 HE3 LYS 108 2HE LYS 108 1.011 14.726 -3.086 889 HZ1 LYS 108 3HZ LYS 108 0.924 17.342 -2.864 890 HZ2 LYS 108 1HZ LYS 108 1.649 16.656 -4.152 891 HZ3 LYS 108 2HZ LYS 108 2.551 17.220 -2.913 892 H ILE 109 H ILE 109 2.208 10.193 0.829 893 HA ILE 109 HA ILE 109 1.183 10.113 3.581 894 HB ILE 109 HB ILE 109 1.494 7.876 1.561 895 HG12 ILE 109 1HG1 ILE 109 -1.191 9.121 2.219 896 HG13 ILE 109 2HG1 ILE 109 -0.206 9.932 1.033 897 HG21 ILE 109 1HG2 ILE 109 0.409 8.136 4.339 898 HG22 ILE 109 2HG2 ILE 109 -0.552 7.169 3.245 899 HG23 ILE 109 3HG2 ILE 109 1.157 6.757 3.523 900 HD11 ILE 109 3HD1 ILE 109 -0.588 8.367 -0.574 901 HD12 ILE 109 1HD1 ILE 109 -0.373 7.013 0.521 902 HD13 ILE 109 2HD1 ILE 109 -1.925 7.857 0.458 903 H PHE 110 H PHE 110 3.696 8.169 1.824 904 HA PHE 110 HA PHE 110 4.905 7.266 4.308 905 HB2 PHE 110 1HB PHE 110 5.992 6.911 1.534 906 HB3 PHE 110 2HB PHE 110 6.263 5.892 2.922 907 HD1 PHE 110 HD2 PHE 110 3.331 5.495 3.804 908 HD2 PHE 110 HD1 PHE 110 5.231 5.427 -0.070 909 HE1 PHE 110 HE2 PHE 110 1.453 4.162 2.833 910 HE2 PHE 110 HE1 PHE 110 3.415 4.043 -0.949 911 HZ PHE 110 HZ PHE 110 1.455 3.512 0.495 912 H ASN 111 H ASN 111 5.116 10.188 2.851 913 HA ASN 111 HA ASN 111 6.525 11.954 2.753 914 HB2 ASN 111 1HB ASN 111 6.278 11.433 5.226 915 HB3 ASN 111 2HB ASN 111 7.934 10.804 5.136 916 HD21 ASN 111 2HD2 ASN 111 9.668 12.310 4.940 917 HD22 ASN 111 1HD2 ASN 111 9.369 14.037 5.129 918 H LEU 112 H LEU 112 7.171 10.489 0.820 919 HA LEU 112 HA LEU 112 10.031 9.666 0.738 920 HB2 LEU 112 1HB LEU 112 8.012 9.607 -1.525 921 HB3 LEU 112 2HB LEU 112 9.506 8.722 -1.439 922 HG LEU 112 HG LEU 112 7.328 8.204 0.584 923 HD11 LEU 112 1HD1 LEU 112 6.020 7.687 -1.182 924 HD12 LEU 112 2HD1 LEU 112 6.918 6.198 -1.135 925 HD13 LEU 112 3HD1 LEU 112 7.371 7.442 -2.305 926 HD21 LEU 112 3HD2 LEU 112 9.676 7.244 0.879 927 HD22 LEU 112 1HD2 LEU 112 9.335 6.270 -0.569 928 HD23 LEU 112 2HD2 LEU 112 8.328 6.095 0.881 929 H ALA 113 H ALA 113 7.943 12.175 -0.550 930 HA ALA 113 HA ALA 113 10.144 13.898 -1.347 931 HB1 ALA 113 3HB ALA 113 10.217 12.972 -3.391 932 HB2 ALA 113 1HB ALA 113 8.512 12.503 -3.433 933 HB3 ALA 113 2HB ALA 113 8.999 14.193 -3.703 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -12.806 -12.501 18.632 2 H2 GLY 1 2H GLY 1 -12.606 -11.938 20.156 3 H3 GLY 1 3H GLY 1 -13.552 -11.122 19.101 4 HA2 GLY 1 1HA GLY 1 -11.873 -9.971 18.243 5 HA3 GLY 1 2HA GLY 1 -10.952 -10.582 19.624 6 H SER 2 H SER 2 -11.633 -10.941 16.200 7 HA SER 2 HA SER 2 -9.078 -12.312 15.732 8 HB2 SER 2 1HB SER 2 -10.182 -14.098 14.351 9 HB3 SER 2 2HB SER 2 -10.345 -14.262 16.101 10 HG SER 2 HG SER 2 -12.311 -14.625 14.841 11 H HIS 3 H HIS 3 -8.251 -10.847 14.399 12 HA HIS 3 HA HIS 3 -9.824 -9.850 12.037 13 HB2 HIS 3 1HB HIS 3 -7.417 -8.654 13.455 14 HB3 HIS 3 2HB HIS 3 -8.059 -8.080 11.923 15 HD1 HIS 3 HD1 HIS 3 -9.178 -8.337 15.623 16 HD2 HIS 3 HD2 HIS 3 -10.102 -6.451 11.954 17 HE1 HIS 3 HE1 HIS 3 -10.986 -6.570 16.143 18 HE2 HIS 3 HE2 HIS 3 -11.533 -5.417 13.908 19 H MET 4 H MET 4 -9.551 -11.864 10.987 20 HA MET 4 HA MET 4 -7.029 -12.074 9.454 21 HB2 MET 4 1HB MET 4 -7.636 -13.832 11.644 22 HB3 MET 4 2HB MET 4 -7.924 -14.758 10.175 23 HG2 MET 4 1HG MET 4 -5.659 -14.151 9.361 24 HG3 MET 4 2HG MET 4 -5.376 -13.229 10.844 25 HE1 MET 4 3HE MET 4 -3.149 -16.566 10.713 26 HE2 MET 4 1HE MET 4 -3.448 -15.106 9.747 27 HE3 MET 4 2HE MET 4 -2.972 -14.961 11.455 28 H GLY 5 H GLY 5 -7.233 -13.634 7.613 29 HA2 GLY 5 1HA GLY 5 -8.334 -14.518 5.761 30 HA3 GLY 5 2HA GLY 5 -9.892 -14.263 6.543 31 H SER 6 H SER 6 -10.525 -11.898 6.769 32 HA SER 6 HA SER 6 -9.460 -9.930 4.925 33 HB2 SER 6 1HB SER 6 -11.458 -9.617 3.553 34 HB3 SER 6 2HB SER 6 -10.804 -11.236 3.308 35 HG SER 6 HG SER 6 -12.413 -12.035 4.731 36 H VAL 7 H VAL 7 -10.535 -7.872 5.118 37 HA VAL 7 HA VAL 7 -11.442 -7.148 7.743 38 HB VAL 7 HB VAL 7 -10.262 -5.621 6.262 39 HG11 VAL 7 1HG1 VAL 7 -11.326 -6.339 4.112 40 HG12 VAL 7 2HG1 VAL 7 -12.793 -5.475 4.584 41 HG13 VAL 7 3HG1 VAL 7 -11.280 -4.592 4.318 42 HG21 VAL 7 3HG2 VAL 7 -13.020 -4.444 6.780 43 HG22 VAL 7 1HG2 VAL 7 -11.776 -4.666 8.031 44 HG23 VAL 7 2HG2 VAL 7 -11.474 -3.591 6.657 45 H GLY 8 H GLY 8 -13.211 -8.303 5.006 46 HA2 GLY 8 1HA GLY 8 -15.517 -9.164 5.695 47 HA3 GLY 8 2HA GLY 8 -15.872 -7.495 6.138 48 H LEU 9 H LEU 9 -14.039 -6.993 3.528 49 HA LEU 9 HA LEU 9 -16.129 -7.440 1.463 50 HB2 LEU 9 1HB LEU 9 -15.557 -5.202 0.514 51 HB3 LEU 9 2HB LEU 9 -16.433 -5.162 2.015 52 HG LEU 9 HG LEU 9 -13.454 -5.030 2.334 53 HD11 LEU 9 1HD1 LEU 9 -13.611 -3.633 0.360 54 HD12 LEU 9 2HD1 LEU 9 -13.434 -2.591 1.787 55 HD13 LEU 9 3HD1 LEU 9 -15.027 -2.783 1.024 56 HD21 LEU 9 3HD2 LEU 9 -15.713 -3.287 3.367 57 HD22 LEU 9 1HD2 LEU 9 -14.043 -3.370 3.985 58 HD23 LEU 9 2HD2 LEU 9 -15.136 -4.757 4.173 59 H ARG 10 H ARG 10 -15.173 -6.792 -0.667 60 HA ARG 10 HA ARG 10 -12.893 -8.661 -1.211 61 HB2 ARG 10 1HB ARG 10 -15.119 -7.504 -2.922 62 HB3 ARG 10 2HB ARG 10 -13.701 -8.234 -3.674 63 HG2 ARG 10 1HG ARG 10 -15.199 -9.758 -1.527 64 HG3 ARG 10 2HG ARG 10 -15.833 -9.695 -3.176 65 HD2 ARG 10 1HD ARG 10 -13.952 -10.807 -4.100 66 HD3 ARG 10 2HD ARG 10 -12.940 -10.457 -2.702 67 HE ARG 10 HE ARG 10 -13.620 -12.395 -1.730 68 HH11 ARG 10 1HH1 ARG 10 -16.155 -11.673 -4.034 69 HH12 ARG 10 2HH1 ARG 10 -17.044 -13.118 -3.633 70 HH21 ARG 10 1HH2 ARG 10 -14.771 -14.204 -1.287 71 HH22 ARG 10 2HH2 ARG 10 -16.261 -14.519 -2.125 72 H GLU 11 H GLU 11 -13.849 -5.608 -2.707 73 HA GLU 11 HA GLU 11 -11.351 -4.235 -2.255 74 HB2 GLU 11 1HB GLU 11 -11.397 -6.154 -4.407 75 HB3 GLU 11 2HB GLU 11 -11.356 -4.580 -5.154 76 HG2 GLU 11 1HG GLU 11 -9.311 -4.016 -4.332 77 HG3 GLU 11 2HG GLU 11 -9.427 -4.996 -2.872 78 H ILE 12 H ILE 12 -14.243 -4.525 -4.341 79 HA ILE 12 HA ILE 12 -14.283 -1.831 -5.213 80 HB ILE 12 HB ILE 12 -15.643 -3.972 -5.946 81 HG12 ILE 12 1HG1 ILE 12 -15.588 -2.137 -7.362 82 HG13 ILE 12 2HG1 ILE 12 -17.281 -2.537 -7.137 83 HG21 ILE 12 1HG2 ILE 12 -17.980 -3.996 -5.359 84 HG22 ILE 12 2HG2 ILE 12 -17.001 -4.199 -3.898 85 HG23 ILE 12 3HG2 ILE 12 -17.775 -2.637 -4.244 86 HD11 ILE 12 3HD1 ILE 12 -17.140 -0.166 -7.136 87 HD12 ILE 12 1HD1 ILE 12 -17.374 -0.604 -5.432 88 HD13 ILE 12 2HD1 ILE 12 -15.758 -0.155 -6.043 89 H ILE 13 H ILE 13 -14.778 0.002 -4.261 90 HA ILE 13 HA ILE 13 -16.461 0.234 -1.860 91 HB ILE 13 HB ILE 13 -14.707 1.661 -0.791 92 HG12 ILE 13 1HG1 ILE 13 -12.278 0.818 -1.405 93 HG13 ILE 13 2HG1 ILE 13 -12.919 0.577 -3.002 94 HG21 ILE 13 1HG2 ILE 13 -15.282 -0.683 -0.137 95 HG22 ILE 13 2HG2 ILE 13 -13.802 -1.193 -0.984 96 HG23 ILE 13 3HG2 ILE 13 -13.720 -0.068 0.393 97 HD11 ILE 13 3HD1 ILE 13 -12.915 3.217 -1.471 98 HD12 ILE 13 1HD1 ILE 13 -11.780 2.753 -2.722 99 HD13 ILE 13 2HD1 ILE 13 -13.491 2.995 -3.140 100 H SER 14 H SER 14 -16.510 2.634 -1.198 101 HA SER 14 HA SER 14 -16.868 4.391 -3.580 102 HB2 SER 14 1HB SER 14 -18.600 5.513 -2.334 103 HB3 SER 14 2HB SER 14 -18.945 3.775 -2.306 104 HG SER 14 HG SER 14 -19.158 4.723 -0.225 105 H GLU 15 H GLU 15 -16.761 6.799 -2.771 106 HA GLU 15 HA GLU 15 -14.136 7.487 -2.020 107 HB2 GLU 15 1HB GLU 15 -15.691 8.862 -3.277 108 HB3 GLU 15 2HB GLU 15 -16.729 9.075 -1.884 109 HG2 GLU 15 1HG GLU 15 -13.887 9.931 -1.455 110 HG3 GLU 15 2HG GLU 15 -14.711 10.764 -2.757 111 H GLU 16 H GLU 16 -16.724 6.599 0.141 112 HA GLU 16 HA GLU 16 -15.864 7.797 2.592 113 HB2 GLU 16 1HB GLU 16 -17.282 5.190 1.938 114 HB3 GLU 16 2HB GLU 16 -17.007 5.703 3.592 115 HG2 GLU 16 1HG GLU 16 -18.369 7.630 1.689 116 HG3 GLU 16 2HG GLU 16 -19.264 6.249 2.304 117 H ASP 17 H ASP 17 -15.031 4.565 1.252 118 HA ASP 17 HA ASP 17 -13.093 3.860 3.302 119 HB2 ASP 17 1HB ASP 17 -13.821 2.039 2.052 120 HB3 ASP 17 2HB ASP 17 -13.764 2.944 0.538 121 H VAL 18 H VAL 18 -12.832 5.478 0.111 122 HA VAL 18 HA VAL 18 -10.070 5.543 -0.050 123 HB VAL 18 HB VAL 18 -11.882 7.718 -1.123 124 HG11 VAL 18 1HG1 VAL 18 -9.759 7.466 -2.880 125 HG12 VAL 18 2HG1 VAL 18 -9.922 8.708 -1.619 126 HG13 VAL 18 3HG1 VAL 18 -8.953 7.259 -1.339 127 HG21 VAL 18 3HG2 VAL 18 -11.030 5.005 -2.196 128 HG22 VAL 18 1HG2 VAL 18 -12.657 5.648 -2.001 129 HG23 VAL 18 2HG2 VAL 18 -11.615 6.296 -3.260 130 H LYS 19 H LYS 19 -12.106 7.554 1.960 131 HA LYS 19 HA LYS 19 -9.907 9.338 2.805 132 HB2 LYS 19 1HB LYS 19 -12.693 8.876 3.984 133 HB3 LYS 19 2HB LYS 19 -11.589 10.145 4.486 134 HG2 LYS 19 1HG LYS 19 -12.883 9.845 1.739 135 HG3 LYS 19 2HG LYS 19 -13.333 10.999 2.978 136 HD2 LYS 19 1HD LYS 19 -10.706 10.948 1.421 137 HD3 LYS 19 2HD LYS 19 -12.057 12.064 1.198 138 HE2 LYS 19 1HE LYS 19 -11.778 12.813 3.585 139 HE3 LYS 19 2HE LYS 19 -10.334 11.797 3.699 140 HZ1 LYS 19 3HZ LYS 19 -9.362 13.128 1.879 141 HZ2 LYS 19 1HZ LYS 19 -9.731 14.071 3.162 142 HZ3 LYS 19 2HZ LYS 19 -10.687 14.088 1.840 143 H GLN 20 H GLN 20 -11.626 6.563 4.290 144 HA GLN 20 HA GLN 20 -10.135 6.585 6.745 145 HB2 GLN 20 1HB GLN 20 -12.251 5.505 6.659 146 HB3 GLN 20 2HB GLN 20 -11.742 4.395 5.381 147 HG2 GLN 20 1HG GLN 20 -10.230 3.235 6.832 148 HG3 GLN 20 2HG GLN 20 -10.320 4.490 8.075 149 HE21 GLN 20 2HE2 GLN 20 -10.816 1.542 8.306 150 HE22 GLN 20 1HE2 GLN 20 -12.437 1.472 8.988 151 H VAL 21 H VAL 21 -9.645 4.629 3.767 152 HA VAL 21 HA VAL 21 -7.411 3.145 4.656 153 HB VAL 21 HB VAL 21 -8.748 2.638 2.684 154 HG11 VAL 21 1HG1 VAL 21 -8.719 3.776 0.730 155 HG12 VAL 21 2HG1 VAL 21 -8.630 5.131 1.837 156 HG13 VAL 21 3HG1 VAL 21 -7.155 4.590 1.032 157 HG21 VAL 21 3HG2 VAL 21 -5.824 2.950 1.947 158 HG22 VAL 21 1HG2 VAL 21 -6.475 1.645 2.961 159 HG23 VAL 21 2HG2 VAL 21 -6.986 1.802 1.267 160 H TYR 22 H TYR 22 -7.381 6.325 2.979 161 HA TYR 22 HA TYR 22 -4.567 6.702 2.981 162 HB2 TYR 22 1HB TYR 22 -6.976 8.464 2.828 163 HB3 TYR 22 2HB TYR 22 -5.491 9.233 3.341 164 HD1 TYR 22 HD1 TYR 22 -6.882 7.064 0.633 165 HD2 TYR 22 HD2 TYR 22 -3.813 9.849 1.797 166 HE1 TYR 22 HE1 TYR 22 -6.218 7.314 -1.745 167 HE2 TYR 22 HE2 TYR 22 -3.065 10.002 -0.573 168 HH TYR 22 HH TYR 22 -4.881 8.483 -3.222 169 H SER 23 H SER 23 -6.963 7.332 5.539 170 HA SER 23 HA SER 23 -5.191 8.504 7.447 171 HB2 SER 23 1HB SER 23 -7.821 8.358 7.317 172 HB3 SER 23 2HB SER 23 -7.598 6.903 8.301 173 HG SER 23 HG SER 23 -7.006 8.126 9.953 174 H ILE 24 H ILE 24 -5.816 5.098 6.674 175 HA ILE 24 HA ILE 24 -4.566 3.965 9.036 176 HB ILE 24 HB ILE 24 -4.840 2.704 6.274 177 HG12 ILE 24 1HG1 ILE 24 -6.633 2.306 8.714 178 HG13 ILE 24 2HG1 ILE 24 -7.030 3.367 7.373 179 HG21 ILE 24 1HG2 ILE 24 -4.191 1.533 9.015 180 HG22 ILE 24 2HG2 ILE 24 -4.596 0.568 7.589 181 HG23 ILE 24 3HG2 ILE 24 -3.142 1.558 7.579 182 HD11 ILE 24 3HD1 ILE 24 -6.815 0.355 7.285 183 HD12 ILE 24 1HD1 ILE 24 -8.195 1.401 6.897 184 HD13 ILE 24 2HD1 ILE 24 -6.784 1.351 5.817 185 H LEU 25 H LEU 25 -3.337 4.449 5.689 186 HA LEU 25 HA LEU 25 -0.627 3.803 6.493 187 HB2 LEU 25 1HB LEU 25 -0.126 4.774 4.152 188 HB3 LEU 25 2HB LEU 25 -0.796 3.192 4.356 189 HG LEU 25 HG LEU 25 -2.837 5.343 3.966 190 HD11 LEU 25 1HD1 LEU 25 -2.382 4.997 1.377 191 HD12 LEU 25 2HD1 LEU 25 -0.704 4.796 1.911 192 HD13 LEU 25 3HD1 LEU 25 -1.621 6.276 2.300 193 HD21 LEU 25 3HD2 LEU 25 -3.774 3.604 2.546 194 HD22 LEU 25 1HD2 LEU 25 -3.292 2.872 4.086 195 HD23 LEU 25 2HD2 LEU 25 -2.255 2.672 2.655 196 H LYS 26 H LYS 26 -2.377 6.750 6.629 197 HA LYS 26 HA LYS 26 -0.410 8.689 6.302 198 HB2 LYS 26 1HB LYS 26 -3.053 8.607 7.278 199 HB3 LYS 26 2HB LYS 26 -2.151 9.191 8.652 200 HG2 LYS 26 1HG LYS 26 -2.862 11.101 7.414 201 HG3 LYS 26 2HG LYS 26 -1.123 10.936 7.136 202 HD2 LYS 26 1HD LYS 26 -1.986 9.535 4.985 203 HD3 LYS 26 2HD LYS 26 -3.445 10.480 5.238 204 HE2 LYS 26 1HE LYS 26 -0.612 11.585 4.894 205 HE3 LYS 26 2HE LYS 26 -1.821 11.483 3.611 206 HZ1 LYS 26 3HZ LYS 26 -3.229 13.003 4.930 207 HZ2 LYS 26 1HZ LYS 26 -1.798 13.696 4.562 208 HZ3 LYS 26 2HZ LYS 26 -2.062 13.139 6.071 209 H GLU 27 H GLU 27 -0.614 6.471 8.951 210 HA GLU 27 HA GLU 27 1.200 7.931 10.709 211 HB2 GLU 27 1HB GLU 27 -0.575 6.377 11.494 212 HB3 GLU 27 2HB GLU 27 0.321 5.013 10.814 213 HG2 GLU 27 1HG GLU 27 2.008 5.144 12.428 214 HG3 GLU 27 2HG GLU 27 1.798 6.875 12.670 215 H LYS 28 H LYS 28 3.332 7.705 10.994 216 HA LYS 28 HA LYS 28 4.878 6.143 8.992 217 HB2 LYS 28 1HB LYS 28 5.606 8.514 10.738 218 HB3 LYS 28 2HB LYS 28 6.723 7.724 9.637 219 HG2 LYS 28 1HG LYS 28 4.081 8.869 8.626 220 HG3 LYS 28 2HG LYS 28 5.468 9.904 8.897 221 HD2 LYS 28 1HD LYS 28 5.467 7.518 6.984 222 HD3 LYS 28 2HD LYS 28 5.206 9.186 6.548 223 HE2 LYS 28 1HE LYS 28 7.370 9.515 6.332 224 HE3 LYS 28 2HE LYS 28 7.541 9.363 8.074 225 HZ1 LYS 28 3HZ LYS 28 9.038 7.869 6.941 226 HZ2 LYS 28 1HZ LYS 28 7.851 7.217 6.048 227 HZ3 LYS 28 2HZ LYS 28 7.926 6.935 7.685 228 H ASP 29 H ASP 29 4.047 5.833 12.188 229 HA ASP 29 HA ASP 29 6.552 4.610 13.161 230 HB2 ASP 29 1HB ASP 29 3.839 4.974 14.483 231 HB3 ASP 29 2HB ASP 29 5.317 4.441 15.288 232 H ILE 30 H ILE 30 4.286 3.443 11.171 233 HA ILE 30 HA ILE 30 3.601 0.876 12.287 234 HB ILE 30 HB ILE 30 2.676 0.359 10.109 235 HG12 ILE 30 1HG1 ILE 30 2.778 2.358 8.389 236 HG13 ILE 30 2HG1 ILE 30 4.271 2.762 9.215 237 HG21 ILE 30 1HG2 ILE 30 2.094 3.235 10.935 238 HG22 ILE 30 2HG2 ILE 30 1.068 2.223 9.926 239 HG23 ILE 30 3HG2 ILE 30 1.358 1.763 11.611 240 HD11 ILE 30 3HD1 ILE 30 3.753 -0.024 8.073 241 HD12 ILE 30 1HD1 ILE 30 4.380 1.287 7.072 242 HD13 ILE 30 2HD1 ILE 30 5.322 0.728 8.429 243 H SER 31 H SER 31 6.546 1.950 10.989 244 HA SER 31 HA SER 31 7.436 -0.010 9.237 245 HB2 SER 31 1HB SER 31 9.763 0.747 10.121 246 HB3 SER 31 2HB SER 31 8.711 1.891 9.282 247 HG SER 31 HG SER 31 9.593 2.799 11.191 248 H VAL 32 H VAL 32 7.253 -2.130 9.579 249 HA VAL 32 HA VAL 32 7.611 -3.400 12.119 250 HB VAL 32 HB VAL 32 7.464 -4.645 9.339 251 HG11 VAL 32 1HG1 VAL 32 6.580 -6.576 10.983 252 HG12 VAL 32 2HG1 VAL 32 8.318 -6.407 10.640 253 HG13 VAL 32 3HG1 VAL 32 7.600 -5.794 12.152 254 HG21 VAL 32 3HG2 VAL 32 5.436 -3.315 10.165 255 HG22 VAL 32 1HG2 VAL 32 5.164 -5.011 9.803 256 HG23 VAL 32 2HG2 VAL 32 5.316 -4.472 11.494 257 H ASP 33 H ASP 33 9.248 -4.642 12.962 258 HA ASP 33 HA ASP 33 11.969 -3.972 12.458 259 HB2 ASP 33 1HB ASP 33 10.431 -5.832 14.215 260 HB3 ASP 33 2HB ASP 33 12.045 -6.394 13.828 261 H SER 34 H SER 34 13.721 -5.139 11.618 262 HA SER 34 HA SER 34 13.281 -6.463 9.154 263 HB2 SER 34 1HB SER 34 15.739 -6.863 9.210 264 HB3 SER 34 2HB SER 34 15.263 -5.184 9.516 265 HG SER 34 HG SER 34 16.856 -5.921 11.009 266 H THR 35 H THR 35 14.082 -7.873 12.337 267 HA THR 35 HA THR 35 14.427 -10.577 11.531 268 HB THR 35 HB THR 35 13.236 -9.520 14.127 269 HG1 THR 35 HG1 THR 35 15.410 -9.747 14.814 270 HG21 THR 35 3HG2 THR 35 14.566 -12.197 13.494 271 HG22 THR 35 1HG2 THR 35 12.868 -11.948 13.965 272 HG23 THR 35 2HG2 THR 35 14.158 -11.611 15.123 273 H THR 36 H THR 36 11.436 -8.839 12.387 274 HA THR 36 HA THR 36 9.695 -11.127 11.812 275 HB THR 36 HB THR 36 9.061 -8.218 12.431 276 HG1 THR 36 HG1 THR 36 8.657 -9.089 14.482 277 HG21 THR 36 3HG2 THR 36 7.295 -10.683 12.180 278 HG22 THR 36 1HG2 THR 36 7.080 -9.062 11.476 279 HG23 THR 36 2HG2 THR 36 6.838 -9.301 13.204 280 H TRP 37 H TRP 37 10.881 -8.332 10.005 281 HA TRP 37 HA TRP 37 9.035 -8.115 8.011 282 HB2 TRP 37 1HB TRP 37 10.853 -6.565 8.158 283 HB3 TRP 37 2HB TRP 37 12.030 -7.831 7.797 284 HD1 TRP 37 HD1 TRP 37 13.038 -7.072 5.581 285 HE1 TRP 37 HE1 TRP 37 12.138 -6.722 3.192 286 HE3 TRP 37 HE3 TRP 37 8.017 -7.052 6.575 287 HZ2 TRP 37 HZ2 TRP 37 9.547 -6.722 1.871 288 HZ3 TRP 37 HZ3 TRP 37 6.391 -7.102 4.761 289 HH2 TRP 37 HH2 TRP 37 7.102 -6.924 2.398 290 H ASN 38 H ASN 38 11.690 -10.485 8.005 291 HA ASN 38 HA ASN 38 11.282 -11.738 5.535 292 HB2 ASN 38 1HB ASN 38 12.205 -12.715 8.263 293 HB3 ASN 38 2HB ASN 38 11.973 -13.871 6.956 294 HD21 ASN 38 2HD2 ASN 38 14.155 -14.430 6.724 295 HD22 ASN 38 1HD2 ASN 38 15.317 -13.269 6.095 296 H ARG 39 H ARG 39 9.391 -12.292 8.502 297 HA ARG 39 HA ARG 39 7.692 -14.381 7.250 298 HB2 ARG 39 1HB ARG 39 7.710 -13.070 10.005 299 HB3 ARG 39 2HB ARG 39 6.417 -14.132 9.455 300 HG2 ARG 39 1HG ARG 39 7.907 -15.456 10.739 301 HG3 ARG 39 2HG ARG 39 8.037 -15.960 9.053 302 HD2 ARG 39 1HD ARG 39 10.169 -14.747 8.828 303 HD3 ARG 39 2HD ARG 39 9.988 -14.082 10.454 304 HE ARG 39 HE ARG 39 10.691 -16.094 11.370 305 HH11 ARG 39 1HH1 ARG 39 10.128 -16.703 7.966 306 HH12 ARG 39 2HH1 ARG 39 10.889 -18.268 8.032 307 HH21 ARG 39 1HH2 ARG 39 11.630 -18.089 11.387 308 HH22 ARG 39 2HH2 ARG 39 11.710 -19.028 9.926 309 H ARG 40 H ARG 40 7.399 -10.995 8.206 310 HA ARG 40 HA ARG 40 4.666 -10.497 7.571 311 HB2 ARG 40 1HB ARG 40 7.136 -8.811 7.434 312 HB3 ARG 40 2HB ARG 40 5.584 -8.138 6.955 313 HG2 ARG 40 1HG ARG 40 5.978 -9.497 9.626 314 HG3 ARG 40 2HG ARG 40 6.393 -7.792 9.318 315 HD2 ARG 40 1HD ARG 40 4.296 -7.084 9.279 316 HD3 ARG 40 2HD ARG 40 3.681 -8.515 8.422 317 HE ARG 40 HE ARG 40 4.122 -9.555 10.872 318 HH11 ARG 40 1HH1 ARG 40 2.289 -6.762 9.846 319 HH12 ARG 40 2HH1 ARG 40 1.127 -6.944 11.138 320 HH21 ARG 40 1HH2 ARG 40 2.619 -9.756 12.458 321 HH22 ARG 40 2HH2 ARG 40 1.314 -8.615 12.580 322 H TYR 41 H TYR 41 7.482 -10.584 5.422 323 HA TYR 41 HA TYR 41 6.317 -9.734 3.036 324 HB2 TYR 41 1HB TYR 41 8.753 -10.566 3.639 325 HB3 TYR 41 2HB TYR 41 8.189 -12.113 3.027 326 HD1 TYR 41 HD1 TYR 41 6.808 -11.786 0.620 327 HD2 TYR 41 HD2 TYR 41 9.966 -9.290 2.150 328 HE1 TYR 41 HE1 TYR 41 7.087 -10.750 -1.622 329 HE2 TYR 41 HE2 TYR 41 10.281 -8.301 -0.128 330 HH TYR 41 HH TYR 41 9.628 -8.483 -2.451 331 H ARG 42 H ARG 42 6.080 -12.931 4.581 332 HA ARG 42 HA ARG 42 4.677 -14.231 2.422 333 HB2 ARG 42 1HB ARG 42 6.012 -15.257 4.478 334 HB3 ARG 42 2HB ARG 42 4.455 -15.157 5.296 335 HG2 ARG 42 1HG ARG 42 4.400 -17.311 4.364 336 HG3 ARG 42 2HG ARG 42 3.487 -16.367 3.190 337 HD2 ARG 42 1HD ARG 42 4.960 -17.716 1.909 338 HD3 ARG 42 2HD ARG 42 5.687 -16.103 1.880 339 HE ARG 42 HE ARG 42 6.708 -17.669 4.087 340 HH11 ARG 42 1HH1 ARG 42 7.138 -17.363 0.633 341 HH12 ARG 42 2HH1 ARG 42 8.727 -18.080 0.676 342 HH21 ARG 42 1HH2 ARG 42 8.706 -18.587 4.086 343 HH22 ARG 42 2HH2 ARG 42 9.586 -18.755 2.597 344 H GLU 43 H GLU 43 3.375 -13.044 5.569 345 HA GLU 43 HA GLU 43 0.631 -13.526 4.902 346 HB2 GLU 43 1HB GLU 43 0.089 -11.751 6.594 347 HB3 GLU 43 2HB GLU 43 1.069 -13.116 7.159 348 HG2 GLU 43 1HG GLU 43 3.090 -11.707 6.976 349 HG3 GLU 43 2HG GLU 43 2.081 -10.316 6.541 350 H TYR 44 H TYR 44 2.549 -10.524 4.459 351 HA TYR 44 HA TYR 44 0.508 -9.057 3.117 352 HB2 TYR 44 1HB TYR 44 3.522 -8.889 3.034 353 HB3 TYR 44 2HB TYR 44 2.456 -7.705 2.341 354 HD1 TYR 44 HD1 TYR 44 0.481 -8.242 5.033 355 HD2 TYR 44 HD2 TYR 44 4.473 -6.920 4.166 356 HE1 TYR 44 HE1 TYR 44 0.537 -7.026 7.200 357 HE2 TYR 44 HE2 TYR 44 4.608 -5.837 6.493 358 HH TYR 44 HH TYR 44 2.930 -4.788 8.082 359 H MET 45 H MET 45 2.911 -11.341 1.753 360 HA MET 45 HA MET 45 2.336 -10.932 -0.981 361 HB2 MET 45 1HB MET 45 3.535 -13.125 0.617 362 HB3 MET 45 2HB MET 45 2.604 -13.727 -0.724 363 HG2 MET 45 1HG MET 45 3.971 -11.902 -2.095 364 HG3 MET 45 2HG MET 45 5.096 -12.099 -0.746 365 HE1 MET 45 3HE MET 45 7.204 -14.102 -1.416 366 HE2 MET 45 1HE MET 45 7.025 -14.270 -3.177 367 HE3 MET 45 2HE MET 45 6.805 -12.685 -2.419 368 H GLU 46 H GLU 46 0.426 -12.722 1.431 369 HA GLU 46 HA GLU 46 -1.390 -13.855 -0.591 370 HB2 GLU 46 1HB GLU 46 -1.837 -13.690 2.398 371 HB3 GLU 46 2HB GLU 46 -2.677 -14.695 1.187 372 HG2 GLU 46 1HG GLU 46 -0.637 -15.943 0.733 373 HG3 GLU 46 2HG GLU 46 0.292 -14.895 1.791 374 H LYS 47 H LYS 47 -1.417 -11.097 1.649 375 HA LYS 47 HA LYS 47 -4.066 -10.212 1.252 376 HB2 LYS 47 1HB LYS 47 -1.494 -8.908 2.036 377 HB3 LYS 47 2HB LYS 47 -2.716 -7.828 1.393 378 HG2 LYS 47 1HG LYS 47 -2.864 -7.768 3.703 379 HG3 LYS 47 2HG LYS 47 -4.322 -8.587 3.122 380 HD2 LYS 47 1HD LYS 47 -3.607 -10.683 3.958 381 HD3 LYS 47 2HD LYS 47 -1.913 -10.162 4.065 382 HE2 LYS 47 1HE LYS 47 -2.103 -9.293 6.078 383 HE3 LYS 47 2HE LYS 47 -3.538 -8.371 5.648 384 HZ1 LYS 47 3HZ LYS 47 -3.980 -11.219 6.056 385 HZ2 LYS 47 1HZ LYS 47 -4.913 -9.936 6.465 386 HZ3 LYS 47 2HZ LYS 47 -3.630 -10.356 7.400 387 H ILE 48 H ILE 48 -1.442 -10.103 -1.004 388 HA ILE 48 HA ILE 48 -2.428 -8.118 -2.814 389 HB ILE 48 HB ILE 48 -0.752 -10.482 -3.643 390 HG12 ILE 48 1HG1 ILE 48 0.390 -9.829 -1.691 391 HG13 ILE 48 2HG1 ILE 48 1.245 -9.063 -3.008 392 HG21 ILE 48 1HG2 ILE 48 -0.757 -7.554 -4.495 393 HG22 ILE 48 2HG2 ILE 48 0.335 -8.818 -5.082 394 HG23 ILE 48 3HG2 ILE 48 -1.388 -8.917 -5.442 395 HD11 ILE 48 3HD1 ILE 48 1.126 -7.397 -1.373 396 HD12 ILE 48 1HD1 ILE 48 -0.180 -6.923 -2.459 397 HD13 ILE 48 2HD1 ILE 48 -0.557 -7.744 -0.936 398 H LYS 49 H LYS 49 -3.467 -11.305 -2.221 399 HA LYS 49 HA LYS 49 -5.190 -11.441 -4.690 400 HB2 LYS 49 1HB LYS 49 -3.997 -13.681 -3.013 401 HB3 LYS 49 2HB LYS 49 -4.973 -13.888 -4.465 402 HG2 LYS 49 1HG LYS 49 -3.274 -13.048 -5.899 403 HG3 LYS 49 2HG LYS 49 -2.318 -12.382 -4.568 404 HD2 LYS 49 1HD LYS 49 -2.876 -15.355 -4.777 405 HD3 LYS 49 2HD LYS 49 -1.500 -14.597 -5.583 406 HE2 LYS 49 1HE LYS 49 -1.806 -13.777 -2.738 407 HE3 LYS 49 2HE LYS 49 -1.558 -15.507 -2.919 408 HZ1 LYS 49 3HZ LYS 49 0.204 -13.493 -4.212 409 HZ2 LYS 49 1HZ LYS 49 0.496 -15.102 -4.067 410 HZ3 LYS 49 2HZ LYS 49 0.514 -14.112 -2.751 411 H THR 50 H THR 50 -5.024 -11.968 -1.214 412 HA THR 50 HA THR 50 -7.964 -12.618 -1.107 413 HB THR 50 HB THR 50 -7.619 -13.768 0.901 414 HG1 THR 50 HG1 THR 50 -6.284 -12.818 2.200 415 HG21 THR 50 3HG2 THR 50 -6.023 -15.477 0.426 416 HG22 THR 50 1HG2 THR 50 -5.048 -14.397 -0.587 417 HG23 THR 50 2HG2 THR 50 -6.656 -14.940 -1.146 418 H GLY 51 H GLY 51 -5.600 -10.319 -0.113 419 HA2 GLY 51 1HA GLY 51 -7.020 -9.161 2.125 420 HA3 GLY 51 2HA GLY 51 -5.586 -8.509 1.323 421 H SER 52 H SER 52 -8.122 -7.345 2.213 422 HA SER 52 HA SER 52 -9.437 -6.398 -0.222 423 HB2 SER 52 1HB SER 52 -10.345 -6.876 2.210 424 HB3 SER 52 2HB SER 52 -9.821 -5.204 2.509 425 HG SER 52 HG SER 52 -11.690 -6.233 0.649 426 H VAL 53 H VAL 53 -10.018 -3.939 0.003 427 HA VAL 53 HA VAL 53 -7.903 -2.329 -0.907 428 HB VAL 53 HB VAL 53 -10.158 -1.752 -1.333 429 HG11 VAL 53 1HG1 VAL 53 -11.734 -0.980 0.264 430 HG12 VAL 53 2HG1 VAL 53 -11.272 -2.635 0.639 431 HG13 VAL 53 3HG1 VAL 53 -10.634 -1.282 1.602 432 HG21 VAL 53 3HG2 VAL 53 -9.159 0.438 0.507 433 HG22 VAL 53 1HG2 VAL 53 -8.405 0.074 -1.056 434 HG23 VAL 53 2HG2 VAL 53 -10.093 0.579 -0.991 435 H PHE 54 H PHE 54 -9.259 -2.261 2.381 436 HA PHE 54 HA PHE 54 -7.426 -0.442 3.524 437 HB2 PHE 54 1HB PHE 54 -9.009 -2.745 4.743 438 HB3 PHE 54 2HB PHE 54 -8.171 -1.517 5.685 439 HD1 PHE 54 HD2 PHE 54 -8.790 1.049 4.695 440 HD2 PHE 54 HD1 PHE 54 -11.343 -2.421 4.578 441 HE1 PHE 54 HE2 PHE 54 -10.774 2.506 4.592 442 HE2 PHE 54 HE1 PHE 54 -13.330 -0.935 4.451 443 HZ PHE 54 HZ PHE 54 -13.054 1.520 4.570 444 H GLU 55 H GLU 55 -7.019 -3.817 2.784 445 HA GLU 55 HA GLU 55 -4.627 -4.158 4.484 446 HB2 GLU 55 1HB GLU 55 -5.964 -6.109 2.572 447 HB3 GLU 55 2HB GLU 55 -4.653 -6.435 3.704 448 HG2 GLU 55 1HG GLU 55 -6.079 -5.900 5.618 449 HG3 GLU 55 2HG GLU 55 -7.420 -5.485 4.546 450 H ILE 56 H ILE 56 -5.339 -4.279 0.918 451 HA ILE 56 HA ILE 56 -2.736 -4.500 -0.084 452 HB ILE 56 HB ILE 56 -5.161 -3.004 -1.103 453 HG12 ILE 56 1HG1 ILE 56 -5.238 -5.469 -1.005 454 HG13 ILE 56 2HG1 ILE 56 -5.419 -4.805 -2.623 455 HG21 ILE 56 1HG2 ILE 56 -3.358 -1.764 -2.104 456 HG22 ILE 56 2HG2 ILE 56 -2.507 -3.250 -2.561 457 HG23 ILE 56 3HG2 ILE 56 -4.073 -2.819 -3.295 458 HD11 ILE 56 3HD1 ILE 56 -4.081 -6.769 -2.693 459 HD12 ILE 56 1HD1 ILE 56 -3.029 -5.400 -3.083 460 HD13 ILE 56 2HD1 ILE 56 -2.953 -6.148 -1.469 461 H ALA 57 H ALA 57 -4.457 -1.495 0.784 462 HA ALA 57 HA ALA 57 -2.233 0.192 0.218 463 HB1 ALA 57 3HB ALA 57 -4.773 0.712 0.601 464 HB2 ALA 57 1HB ALA 57 -4.278 0.896 2.308 465 HB3 ALA 57 2HB ALA 57 -3.552 1.898 1.018 466 H GLU 58 H GLU 58 -2.959 -1.686 3.164 467 HA GLU 58 HA GLU 58 -0.848 -0.438 4.768 468 HB2 GLU 58 1HB GLU 58 -2.703 -2.809 5.101 469 HB3 GLU 58 2HB GLU 58 -1.244 -2.723 6.064 470 HG2 GLU 58 1HG GLU 58 -2.016 -0.283 6.604 471 HG3 GLU 58 2HG GLU 58 -3.581 -0.818 6.045 472 H VAL 59 H VAL 59 -1.110 -3.244 2.632 473 HA VAL 59 HA VAL 59 1.383 -4.478 3.252 474 HB VAL 59 HB VAL 59 -0.124 -4.512 0.590 475 HG11 VAL 59 1HG1 VAL 59 1.330 -6.780 0.637 476 HG12 VAL 59 2HG1 VAL 59 1.902 -5.277 -0.095 477 HG13 VAL 59 3HG1 VAL 59 2.423 -5.739 1.534 478 HG21 VAL 59 3HG2 VAL 59 -1.601 -5.650 1.865 479 HG22 VAL 59 1HG2 VAL 59 -0.490 -6.965 1.635 480 HG23 VAL 59 2HG2 VAL 59 -0.430 -6.038 3.145 481 H LEU 60 H LEU 60 0.660 -2.380 0.423 482 HA LEU 60 HA LEU 60 3.399 -2.205 -0.337 483 HB2 LEU 60 1HB LEU 60 2.607 -1.268 -2.121 484 HB3 LEU 60 2HB LEU 60 1.000 -1.485 -1.503 485 HG LEU 60 HG LEU 60 2.622 1.077 -1.071 486 HD11 LEU 60 1HD1 LEU 60 0.507 0.581 -3.161 487 HD12 LEU 60 2HD1 LEU 60 2.243 0.439 -3.459 488 HD13 LEU 60 3HD1 LEU 60 1.591 1.992 -2.958 489 HD21 LEU 60 3HD2 LEU 60 0.786 1.081 0.471 490 HD22 LEU 60 1HD2 LEU 60 -0.285 0.292 -0.692 491 HD23 LEU 60 2HD2 LEU 60 0.210 1.991 -0.889 492 H ARG 61 H ARG 61 1.544 -0.282 1.890 493 HA ARG 61 HA ARG 61 3.310 1.904 2.402 494 HB2 ARG 61 1HB ARG 61 1.008 1.898 3.197 495 HB3 ARG 61 2HB ARG 61 1.259 0.398 4.050 496 HG2 ARG 61 1HG ARG 61 3.039 1.838 5.438 497 HG3 ARG 61 2HG ARG 61 2.059 3.175 4.867 498 HD2 ARG 61 1HD ARG 61 1.153 2.553 6.934 499 HD3 ARG 61 2HD ARG 61 0.058 1.825 5.743 500 HE ARG 61 HE ARG 61 1.947 -0.173 6.309 501 HH11 ARG 61 1HH1 ARG 61 -0.519 1.519 8.171 502 HH12 ARG 61 2HH1 ARG 61 -0.939 0.008 8.967 503 HH21 ARG 61 1HH2 ARG 61 1.600 -1.873 7.763 504 HH22 ARG 61 2HH2 ARG 61 0.082 -1.746 8.665 505 H ASP 62 H ASP 62 3.010 -1.236 4.090 506 HA ASP 62 HA ASP 62 5.158 -0.804 5.896 507 HB2 ASP 62 1HB ASP 62 3.466 -3.048 5.090 508 HB3 ASP 62 2HB ASP 62 5.135 -3.578 5.239 509 H LEU 63 H LEU 63 5.201 -2.394 2.718 510 HA LEU 63 HA LEU 63 7.996 -2.853 2.447 511 HB2 LEU 63 1HB LEU 63 5.686 -2.382 0.564 512 HB3 LEU 63 2HB LEU 63 7.305 -2.520 -0.086 513 HG LEU 63 HG LEU 63 6.447 -4.659 1.855 514 HD11 LEU 63 1HD1 LEU 63 5.514 -5.888 -0.188 515 HD12 LEU 63 2HD1 LEU 63 5.330 -4.293 -0.941 516 HD13 LEU 63 3HD1 LEU 63 4.483 -4.681 0.577 517 HD21 LEU 63 3HD2 LEU 63 7.991 -4.647 -0.767 518 HD22 LEU 63 1HD2 LEU 63 7.797 -6.042 0.305 519 HD23 LEU 63 2HD2 LEU 63 8.713 -4.622 0.856 520 H TYR 64 H TYR 64 6.136 0.072 1.470 521 HA TYR 64 HA TYR 64 8.366 1.544 0.529 522 HB2 TYR 64 1HB TYR 64 5.557 2.139 1.269 523 HB3 TYR 64 2HB TYR 64 6.656 3.480 1.485 524 HD1 TYR 64 HD1 TYR 64 8.269 4.083 -0.430 525 HD2 TYR 64 HD2 TYR 64 4.756 1.663 -0.947 526 HE1 TYR 64 HE1 TYR 64 8.211 4.678 -2.827 527 HE2 TYR 64 HE2 TYR 64 4.733 2.212 -3.374 528 HH TYR 64 HH TYR 64 7.173 4.449 -4.776 529 H LEU 65 H LEU 65 6.922 1.628 3.815 530 HA LEU 65 HA LEU 65 8.906 3.512 4.795 531 HB2 LEU 65 1HB LEU 65 6.808 1.757 6.124 532 HB3 LEU 65 2HB LEU 65 8.036 2.590 7.061 533 HG LEU 65 HG LEU 65 7.262 4.722 5.583 534 HD11 LEU 65 1HD1 LEU 65 4.804 2.996 5.714 535 HD12 LEU 65 2HD1 LEU 65 5.572 3.638 4.252 536 HD13 LEU 65 3HD1 LEU 65 4.804 4.738 5.426 537 HD21 LEU 65 3HD2 LEU 65 6.045 5.447 7.418 538 HD22 LEU 65 1HD2 LEU 65 7.210 4.326 8.135 539 HD23 LEU 65 2HD2 LEU 65 5.528 3.823 7.874 540 H LEU 66 H LEU 66 8.843 -0.011 4.683 541 HA LEU 66 HA LEU 66 11.024 -0.578 6.404 542 HB2 LEU 66 1HB LEU 66 9.788 -1.904 3.994 543 HB3 LEU 66 2HB LEU 66 11.270 -2.564 4.644 544 HG LEU 66 HG LEU 66 8.894 -2.049 6.486 545 HD11 LEU 66 1HD1 LEU 66 9.458 -4.485 4.775 546 HD12 LEU 66 2HD1 LEU 66 8.043 -3.457 4.660 547 HD13 LEU 66 3HD1 LEU 66 8.270 -4.421 6.112 548 HD21 LEU 66 3HD2 LEU 66 11.275 -3.963 6.520 549 HD22 LEU 66 1HD2 LEU 66 9.948 -3.978 7.695 550 HD23 LEU 66 2HD2 LEU 66 11.009 -2.568 7.593 551 H LYS 67 H LYS 67 11.054 0.754 3.166 552 HA LYS 67 HA LYS 67 14.050 0.795 3.195 553 HB2 LYS 67 1HB LYS 67 12.497 -0.075 1.164 554 HB3 LYS 67 2HB LYS 67 12.475 1.643 0.783 555 HG2 LYS 67 1HG LYS 67 14.297 0.721 -0.451 556 HG3 LYS 67 2HG LYS 67 15.011 1.610 0.888 557 HD2 LYS 67 1HD LYS 67 14.940 -0.786 2.094 558 HD3 LYS 67 2HD LYS 67 14.830 -1.397 0.456 559 HE2 LYS 67 1HE LYS 67 16.938 0.639 1.255 560 HE3 LYS 67 2HE LYS 67 17.169 -1.060 1.651 561 HZ1 LYS 67 3HZ LYS 67 17.999 -0.053 -0.631 562 HZ2 LYS 67 1HZ LYS 67 16.503 -0.458 -1.135 563 HZ3 LYS 67 2HZ LYS 67 17.513 -1.599 -0.520 564 H GLY 68 H GLY 68 11.269 2.937 3.123 565 HA2 GLY 68 1HA GLY 68 11.086 5.188 3.616 566 HA3 GLY 68 2HA GLY 68 12.787 5.223 4.081 567 H ASP 69 H ASP 69 11.821 4.094 0.879 568 HA ASP 69 HA ASP 69 12.754 6.608 -0.409 569 HB2 ASP 69 1HB ASP 69 14.307 4.178 -0.156 570 HB3 ASP 69 2HB ASP 69 13.819 4.328 -1.831 571 H LYS 70 H LYS 70 12.268 6.797 -2.623 572 HA LYS 70 HA LYS 70 9.609 6.104 -3.398 573 HB2 LYS 70 1HB LYS 70 10.155 7.245 -5.499 574 HB3 LYS 70 2HB LYS 70 10.625 8.145 -4.062 575 HG2 LYS 70 1HG LYS 70 12.996 6.928 -4.501 576 HG3 LYS 70 2HG LYS 70 12.377 6.787 -6.134 577 HD2 LYS 70 1HD LYS 70 12.272 9.480 -4.714 578 HD3 LYS 70 2HD LYS 70 13.824 8.856 -5.283 579 HE2 LYS 70 1HE LYS 70 12.945 8.590 -7.566 580 HE3 LYS 70 2HE LYS 70 11.371 9.218 -7.055 581 HZ1 LYS 70 3HZ LYS 70 12.833 10.935 -8.060 582 HZ2 LYS 70 1HZ LYS 70 13.921 10.739 -6.861 583 HZ3 LYS 70 2HZ LYS 70 12.433 11.324 -6.525 584 H ASP 71 H ASP 71 12.670 4.620 -4.290 585 HA ASP 71 HA ASP 71 11.266 2.441 -5.763 586 HB2 ASP 71 1HB ASP 71 13.755 4.029 -6.388 587 HB3 ASP 71 2HB ASP 71 13.763 2.314 -6.735 588 H LEU 72 H LEU 72 11.182 0.793 -4.442 589 HA LEU 72 HA LEU 72 13.011 0.389 -2.238 590 HB2 LEU 72 1HB LEU 72 11.062 -1.655 -3.329 591 HB3 LEU 72 2HB LEU 72 11.711 -1.510 -1.691 592 HG LEU 72 HG LEU 72 9.699 0.330 -3.021 593 HD11 LEU 72 1HD1 LEU 72 8.263 -0.518 -1.178 594 HD12 LEU 72 2HD1 LEU 72 9.576 -1.567 -0.641 595 HD13 LEU 72 3HD1 LEU 72 8.837 -1.840 -2.226 596 HD21 LEU 72 3HD2 LEU 72 11.300 1.568 -1.425 597 HD22 LEU 72 1HD2 LEU 72 10.564 0.577 -0.140 598 HD23 LEU 72 2HD2 LEU 72 9.581 1.675 -1.141 599 H SER 73 H SER 73 13.897 -1.930 -1.896 600 HA SER 73 HA SER 73 16.053 -2.389 -3.754 601 HB2 SER 73 1HB SER 73 15.779 -3.065 -1.204 602 HB3 SER 73 2HB SER 73 15.079 -4.549 -1.875 603 HG SER 73 HG SER 73 17.392 -4.652 -1.601 604 H PHE 74 H PHE 74 16.456 -4.486 -4.888 605 HA PHE 74 HA PHE 74 14.566 -5.069 -6.884 606 HB2 PHE 74 1HB PHE 74 16.920 -5.654 -7.093 607 HB3 PHE 74 2HB PHE 74 16.794 -6.822 -5.782 608 HD1 PHE 74 HD2 PHE 74 15.921 -6.133 -9.325 609 HD2 PHE 74 HD1 PHE 74 15.743 -9.021 -6.122 610 HE1 PHE 74 HE2 PHE 74 15.255 -7.897 -10.944 611 HE2 PHE 74 HE1 PHE 74 15.060 -10.772 -7.739 612 HZ PHE 74 HZ PHE 74 14.819 -10.216 -10.154 613 H GLY 75 H GLY 75 15.061 -6.852 -3.832 614 HA2 GLY 75 1HA GLY 75 13.056 -8.868 -4.289 615 HA3 GLY 75 2HA GLY 75 13.763 -8.436 -2.730 616 H GLU 76 H GLU 76 12.935 -5.910 -2.238 617 HA GLU 76 HA GLU 76 10.204 -6.191 -1.410 618 HB2 GLU 76 1HB GLU 76 12.049 -3.802 -1.661 619 HB3 GLU 76 2HB GLU 76 10.448 -3.714 -0.908 620 HG2 GLU 76 1HG GLU 76 11.066 -5.057 0.918 621 HG3 GLU 76 2HG GLU 76 12.417 -5.795 0.067 622 H ARG 77 H ARG 77 11.599 -4.537 -4.234 623 HA ARG 77 HA ARG 77 9.250 -3.319 -5.256 624 HB2 ARG 77 1HB ARG 77 11.670 -3.023 -6.030 625 HB3 ARG 77 2HB ARG 77 11.489 -4.533 -6.906 626 HG2 ARG 77 1HG ARG 77 11.024 -3.102 -8.582 627 HG3 ARG 77 2HG ARG 77 9.389 -3.313 -8.014 628 HD2 ARG 77 1HD ARG 77 9.186 -1.130 -7.495 629 HD3 ARG 77 2HD ARG 77 10.662 -1.116 -6.538 630 HE ARG 77 HE ARG 77 10.332 -0.250 -9.289 631 HH11 ARG 77 1HH1 ARG 77 12.829 -1.337 -7.063 632 HH12 ARG 77 2HH1 ARG 77 14.097 -0.871 -8.150 633 HH21 ARG 77 1HH2 ARG 77 12.005 0.431 -10.539 634 HH22 ARG 77 2HH2 ARG 77 13.645 0.114 -10.060 635 H LYS 78 H LYS 78 10.181 -6.722 -5.379 636 HA LYS 78 HA LYS 78 8.549 -7.609 -7.542 637 HB2 LYS 78 1HB LYS 78 9.228 -9.123 -4.990 638 HB3 LYS 78 2HB LYS 78 8.587 -9.851 -6.439 639 HG2 LYS 78 1HG LYS 78 11.074 -8.246 -6.831 640 HG3 LYS 78 2HG LYS 78 11.251 -9.628 -5.774 641 HD2 LYS 78 1HD LYS 78 11.457 -10.987 -7.488 642 HD3 LYS 78 2HD LYS 78 9.869 -10.577 -8.121 643 HE2 LYS 78 1HE LYS 78 12.215 -8.706 -8.585 644 HE3 LYS 78 2HE LYS 78 12.118 -10.197 -9.520 645 HZ1 LYS 78 3HZ LYS 78 10.009 -9.533 -10.402 646 HZ2 LYS 78 1HZ LYS 78 11.027 -8.281 -10.619 647 HZ3 LYS 78 2HZ LYS 78 9.907 -8.218 -9.434 648 H MET 79 H MET 79 7.686 -7.614 -4.073 649 HA MET 79 HA MET 79 4.881 -8.230 -4.674 650 HB2 MET 79 1HB MET 79 6.200 -8.880 -2.570 651 HB3 MET 79 2HB MET 79 5.949 -7.215 -2.032 652 HG2 MET 79 1HG MET 79 3.397 -8.009 -2.800 653 HG3 MET 79 2HG MET 79 4.086 -9.531 -2.257 654 HE1 MET 79 3HE MET 79 5.074 -8.371 1.515 655 HE2 MET 79 1HE MET 79 5.145 -9.746 0.387 656 HE3 MET 79 2HE MET 79 6.091 -8.271 0.074 657 H LEU 80 H LEU 80 6.715 -5.277 -3.776 658 HA LEU 80 HA LEU 80 4.543 -3.508 -3.449 659 HB2 LEU 80 1HB LEU 80 6.961 -2.990 -2.963 660 HB3 LEU 80 2HB LEU 80 7.239 -2.918 -4.704 661 HG LEU 80 HG LEU 80 5.227 -1.145 -4.603 662 HD11 LEU 80 1HD1 LEU 80 5.389 -1.620 -1.906 663 HD12 LEU 80 2HD1 LEU 80 4.720 -0.181 -2.681 664 HD13 LEU 80 3HD1 LEU 80 6.383 -0.167 -2.106 665 HD21 LEU 80 3HD2 LEU 80 7.171 -0.490 -5.617 666 HD22 LEU 80 1HD2 LEU 80 8.144 -0.705 -4.160 667 HD23 LEU 80 2HD2 LEU 80 7.005 0.658 -4.277 668 H ASP 81 H ASP 81 6.270 -4.290 -6.528 669 HA ASP 81 HA ASP 81 4.876 -2.617 -8.285 670 HB2 ASP 81 1HB ASP 81 6.837 -3.906 -8.907 671 HB3 ASP 81 2HB ASP 81 5.979 -5.426 -8.652 672 H THR 82 H THR 82 3.866 -5.799 -7.045 673 HA THR 82 HA THR 82 1.416 -5.899 -8.603 674 HB THR 82 HB THR 82 1.859 -7.502 -6.080 675 HG1 THR 82 HG1 THR 82 3.007 -8.986 -7.341 676 HG21 THR 82 3HG2 THR 82 -0.274 -7.730 -7.424 677 HG22 THR 82 1HG2 THR 82 0.681 -9.228 -7.399 678 HG23 THR 82 2HG2 THR 82 0.704 -8.188 -8.834 679 H ALA 83 H ALA 83 2.144 -5.186 -5.140 680 HA ALA 83 HA ALA 83 -0.534 -4.592 -4.375 681 HB1 ALA 83 3HB ALA 83 0.411 -3.761 -2.348 682 HB2 ALA 83 1HB ALA 83 1.394 -5.144 -2.853 683 HB3 ALA 83 2HB ALA 83 2.002 -3.498 -3.114 684 H ARG 84 H ARG 84 1.929 -2.491 -5.774 685 HA ARG 84 HA ARG 84 0.691 0.085 -5.546 686 HB2 ARG 84 1HB ARG 84 2.600 -1.202 -7.540 687 HB3 ARG 84 2HB ARG 84 2.013 0.425 -7.819 688 HG2 ARG 84 1HG ARG 84 3.277 -0.288 -5.173 689 HG3 ARG 84 2HG ARG 84 4.284 0.001 -6.578 690 HD2 ARG 84 1HD ARG 84 2.372 2.173 -6.464 691 HD3 ARG 84 2HD ARG 84 3.007 1.944 -4.850 692 HE ARG 84 HE ARG 84 5.027 2.829 -5.512 693 HH11 ARG 84 1HH1 ARG 84 3.397 1.947 -8.482 694 HH12 ARG 84 2HH1 ARG 84 4.720 2.508 -9.460 695 HH21 ARG 84 1HH2 ARG 84 6.625 3.476 -6.752 696 HH22 ARG 84 2HH2 ARG 84 6.527 3.385 -8.494 697 H SER 85 H SER 85 0.538 -2.270 -8.191 698 HA SER 85 HA SER 85 -1.336 -0.878 -9.824 699 HB2 SER 85 1HB SER 85 0.164 -2.851 -10.435 700 HB3 SER 85 2HB SER 85 -1.062 -3.896 -9.684 701 HG SER 85 HG SER 85 -1.406 -3.617 -11.951 702 H LEU 86 H LEU 86 -1.845 -2.728 -6.921 703 HA LEU 86 HA LEU 86 -4.778 -2.820 -7.302 704 HB2 LEU 86 1HB LEU 86 -2.943 -3.916 -5.138 705 HB3 LEU 86 2HB LEU 86 -4.699 -4.114 -5.140 706 HG LEU 86 HG LEU 86 -2.982 -5.073 -7.476 707 HD11 LEU 86 1HD1 LEU 86 -3.020 -7.287 -6.486 708 HD12 LEU 86 2HD1 LEU 86 -3.875 -6.672 -5.058 709 HD13 LEU 86 3HD1 LEU 86 -2.210 -6.144 -5.399 710 HD21 LEU 86 3HD2 LEU 86 -4.879 -6.448 -7.996 711 HD22 LEU 86 1HD2 LEU 86 -5.513 -4.810 -7.728 712 HD23 LEU 86 2HD2 LEU 86 -5.662 -6.032 -6.452 713 H LEU 87 H LEU 87 -2.435 -1.148 -5.182 714 HA LEU 87 HA LEU 87 -4.123 0.198 -3.445 715 HB2 LEU 87 1HB LEU 87 -1.698 0.422 -3.369 716 HB3 LEU 87 2HB LEU 87 -1.672 1.215 -4.946 717 HG LEU 87 HG LEU 87 -3.101 3.092 -3.894 718 HD11 LEU 87 1HD1 LEU 87 -3.786 1.968 -1.819 719 HD12 LEU 87 2HD1 LEU 87 -2.753 3.359 -1.432 720 HD13 LEU 87 3HD1 LEU 87 -2.088 1.718 -1.378 721 HD21 LEU 87 3HD2 LEU 87 -0.692 3.219 -4.501 722 HD22 LEU 87 1HD2 LEU 87 -0.365 2.856 -2.792 723 HD23 LEU 87 2HD2 LEU 87 -1.285 4.295 -3.229 724 H ILE 88 H ILE 88 -3.143 1.463 -6.662 725 HA ILE 88 HA ILE 88 -5.107 3.562 -6.493 726 HB ILE 88 HB ILE 88 -4.486 4.364 -8.486 727 HG12 ILE 88 1HG1 ILE 88 -4.841 2.450 -9.991 728 HG13 ILE 88 2HG1 ILE 88 -3.302 3.246 -10.312 729 HG21 ILE 88 1HG2 ILE 88 -1.835 3.131 -7.955 730 HG22 ILE 88 2HG2 ILE 88 -2.349 4.810 -8.309 731 HG23 ILE 88 3HG2 ILE 88 -2.633 4.082 -6.717 732 HD11 ILE 88 3HD1 ILE 88 -3.591 0.700 -8.692 733 HD12 ILE 88 1HD1 ILE 88 -3.250 0.754 -10.430 734 HD13 ILE 88 2HD1 ILE 88 -2.080 1.426 -9.291 735 H LYS 89 H LYS 89 -5.491 0.342 -7.304 736 HA LYS 89 HA LYS 89 -7.606 0.464 -9.292 737 HB2 LYS 89 1HB LYS 89 -6.083 -1.495 -8.745 738 HB3 LYS 89 2HB LYS 89 -7.082 -1.817 -7.342 739 HG2 LYS 89 1HG LYS 89 -8.268 -1.704 -10.118 740 HG3 LYS 89 2HG LYS 89 -7.429 -3.137 -9.540 741 HD2 LYS 89 1HD LYS 89 -9.848 -1.919 -8.143 742 HD3 LYS 89 2HD LYS 89 -9.922 -3.255 -9.275 743 HE2 LYS 89 1HE LYS 89 -8.163 -3.378 -6.791 744 HE3 LYS 89 2HE LYS 89 -9.879 -3.753 -6.714 745 HZ1 LYS 89 3HZ LYS 89 -9.572 -5.590 -8.160 746 HZ2 LYS 89 1HZ LYS 89 -8.338 -5.651 -7.070 747 HZ3 LYS 89 2HZ LYS 89 -8.055 -5.139 -8.602 748 H GLU 90 H GLU 90 -7.715 -0.092 -5.748 749 HA GLU 90 HA GLU 90 -10.616 0.020 -5.646 750 HB2 GLU 90 1HB GLU 90 -8.877 0.635 -3.275 751 HB3 GLU 90 2HB GLU 90 -10.460 -0.097 -3.354 752 HG2 GLU 90 1HG GLU 90 -9.531 -2.106 -3.265 753 HG3 GLU 90 2HG GLU 90 -8.941 -1.888 -4.871 754 H LEU 91 H LEU 91 -8.004 2.282 -4.769 755 HA LEU 91 HA LEU 91 -9.625 4.509 -4.057 756 HB2 LEU 91 1HB LEU 91 -6.708 4.347 -4.969 757 HB3 LEU 91 2HB LEU 91 -7.455 5.751 -4.199 758 HG LEU 91 HG LEU 91 -7.189 3.000 -2.896 759 HD11 LEU 91 1HD1 LEU 91 -5.011 3.868 -3.075 760 HD12 LEU 91 2HD1 LEU 91 -5.523 4.239 -1.431 761 HD13 LEU 91 3HD1 LEU 91 -5.520 5.513 -2.677 762 HD21 LEU 91 3HD2 LEU 91 -8.559 3.750 -1.355 763 HD22 LEU 91 1HD2 LEU 91 -8.842 5.225 -2.261 764 HD23 LEU 91 2HD2 LEU 91 -7.559 5.213 -1.078 765 H SER 92 H SER 92 -8.834 3.331 -7.139 766 HA SER 92 HA SER 92 -8.849 5.489 -8.796 767 HB2 SER 92 1HB SER 92 -9.207 2.692 -9.130 768 HB3 SER 92 2HB SER 92 -10.495 3.454 -10.055 769 HG SER 92 HG SER 92 -8.579 3.182 -11.264 770 H LEU 93 H LEU 93 -11.574 4.386 -7.017 771 HA LEU 93 HA LEU 93 -13.673 5.584 -8.504 772 HB2 LEU 93 1HB LEU 93 -13.368 4.128 -6.052 773 HB3 LEU 93 2HB LEU 93 -14.227 5.592 -5.636 774 HG LEU 93 HG LEU 93 -15.840 3.968 -6.092 775 HD11 LEU 93 1HD1 LEU 93 -17.188 4.972 -7.740 776 HD12 LEU 93 2HD1 LEU 93 -15.801 5.554 -8.673 777 HD13 LEU 93 3HD1 LEU 93 -16.162 6.275 -7.089 778 HD21 LEU 93 3HD2 LEU 93 -14.484 3.420 -8.771 779 HD22 LEU 93 1HD2 LEU 93 -15.986 2.672 -8.183 780 HD23 LEU 93 2HD2 LEU 93 -14.456 2.364 -7.344 781 H ALA 94 H ALA 94 -12.385 6.804 -5.441 782 HA ALA 94 HA ALA 94 -13.327 9.505 -5.870 783 HB1 ALA 94 3HB ALA 94 -11.264 8.650 -3.842 784 HB2 ALA 94 1HB ALA 94 -12.431 9.970 -3.718 785 HB3 ALA 94 2HB ALA 94 -12.996 8.290 -3.645 786 H LYS 95 H LYS 95 -10.438 7.978 -6.963 787 HA LYS 95 HA LYS 95 -8.485 9.957 -6.908 788 HB2 LYS 95 1HB LYS 95 -7.335 8.634 -8.247 789 HB3 LYS 95 2HB LYS 95 -8.677 7.506 -8.091 790 HG2 LYS 95 1HG LYS 95 -9.611 8.552 -10.245 791 HG3 LYS 95 2HG LYS 95 -8.061 9.408 -10.359 792 HD2 LYS 95 1HD LYS 95 -8.598 6.443 -10.565 793 HD3 LYS 95 2HD LYS 95 -8.087 7.497 -11.831 794 HE2 LYS 95 1HE LYS 95 -5.967 7.201 -11.422 795 HE3 LYS 95 2HE LYS 95 -6.122 7.663 -9.730 796 HZ1 LYS 95 3HZ LYS 95 -6.778 5.343 -9.231 797 HZ2 LYS 95 1HZ LYS 95 -5.365 5.297 -10.063 798 HZ3 LYS 95 2HZ LYS 95 -6.801 4.948 -10.783 799 H ASP 96 H ASP 96 -11.192 9.810 -9.098 800 HA ASP 96 HA ASP 96 -11.951 11.123 -10.807 801 HB2 ASP 96 1HB ASP 96 -12.658 12.021 -8.541 802 HB3 ASP 96 2HB ASP 96 -11.482 13.310 -8.770 803 H CYS 97 H CYS 97 -9.209 10.666 -11.208 804 HA CYS 97 HA CYS 97 -8.248 12.751 -12.977 805 HB2 CYS 97 1HB CYS 97 -7.823 13.401 -10.405 806 HB3 CYS 97 2HB CYS 97 -6.462 12.294 -10.588 807 HG CYS 97 HG CYS 97 -5.926 14.961 -10.889 808 H SER 98 H SER 98 -5.532 12.103 -12.965 809 HA SER 98 HA SER 98 -5.380 9.486 -14.275 810 HB2 SER 98 1HB SER 98 -3.302 11.574 -13.503 811 HB3 SER 98 2HB SER 98 -2.919 10.084 -14.388 812 HG SER 98 HG SER 98 -3.300 11.789 -15.840 813 H GLU 99 H GLU 99 -3.680 7.827 -13.668 814 HA GLU 99 HA GLU 99 -3.933 6.904 -10.963 815 HB2 GLU 99 1HB GLU 99 -1.891 6.163 -13.080 816 HB3 GLU 99 2HB GLU 99 -2.012 5.395 -11.477 817 HG2 GLU 99 1HG GLU 99 -4.407 4.850 -11.975 818 HG3 GLU 99 2HG GLU 99 -4.180 5.440 -13.623 819 H ASP 100 H ASP 100 -1.624 9.082 -12.362 820 HA ASP 100 HA ASP 100 0.381 9.171 -10.389 821 HB2 ASP 100 1HB ASP 100 -0.737 11.107 -12.402 822 HB3 ASP 100 2HB ASP 100 0.167 11.804 -11.073 823 H GLU 101 H GLU 101 -3.008 10.280 -9.999 824 HA GLU 101 HA GLU 101 -2.491 12.075 -7.807 825 HB2 GLU 101 1HB GLU 101 -4.632 12.134 -8.861 826 HB3 GLU 101 2HB GLU 101 -4.937 10.421 -8.555 827 HG2 GLU 101 1HG GLU 101 -5.416 10.689 -6.358 828 HG3 GLU 101 2HG GLU 101 -4.327 12.062 -6.126 829 H ILE 102 H ILE 102 -3.450 8.604 -7.764 830 HA ILE 102 HA ILE 102 -2.885 8.400 -4.895 831 HB ILE 102 HB ILE 102 -3.618 6.297 -6.893 832 HG12 ILE 102 1HG1 ILE 102 -5.515 7.068 -4.715 833 HG13 ILE 102 2HG1 ILE 102 -5.241 8.350 -5.871 834 HG21 ILE 102 1HG2 ILE 102 -3.481 6.207 -3.834 835 HG22 ILE 102 2HG2 ILE 102 -4.160 4.936 -4.880 836 HG23 ILE 102 3HG2 ILE 102 -2.437 5.318 -4.941 837 HD11 ILE 102 3HD1 ILE 102 -6.039 5.527 -6.668 838 HD12 ILE 102 1HD1 ILE 102 -7.133 6.909 -6.490 839 HD13 ILE 102 2HD1 ILE 102 -5.851 6.933 -7.726 840 H GLU 103 H GLU 103 -1.219 7.381 -7.906 841 HA GLU 103 HA GLU 103 0.845 5.862 -6.688 842 HB2 GLU 103 1HB GLU 103 0.479 7.299 -9.308 843 HB3 GLU 103 2HB GLU 103 2.098 6.816 -8.898 844 HG2 GLU 103 1HG GLU 103 1.367 4.485 -8.543 845 HG3 GLU 103 2HG GLU 103 -0.282 4.942 -8.929 846 H SER 104 H SER 104 0.778 9.384 -7.572 847 HA SER 104 HA SER 104 3.423 9.800 -6.412 848 HB2 SER 104 1HB SER 104 3.349 11.980 -7.092 849 HB3 SER 104 2HB SER 104 2.482 11.126 -8.366 850 HG SER 104 HG SER 104 0.576 11.850 -7.544 851 H ASP 105 H ASP 105 0.071 10.181 -5.192 852 HA ASP 105 HA ASP 105 0.666 11.711 -2.908 853 HB2 ASP 105 1HB ASP 105 -1.476 9.689 -3.532 854 HB3 ASP 105 2HB ASP 105 -1.242 10.164 -1.871 855 H LEU 106 H LEU 106 1.624 8.423 -3.492 856 HA LEU 106 HA LEU 106 2.115 7.551 -0.850 857 HB2 LEU 106 1HB LEU 106 3.841 7.099 -3.329 858 HB3 LEU 106 2HB LEU 106 3.856 6.116 -1.875 859 HG LEU 106 HG LEU 106 1.549 6.397 -3.850 860 HD11 LEU 106 1HD1 LEU 106 3.213 3.971 -3.190 861 HD12 LEU 106 2HD1 LEU 106 3.492 5.035 -4.583 862 HD13 LEU 106 3HD1 LEU 106 1.966 4.143 -4.450 863 HD21 LEU 106 3HD2 LEU 106 1.375 5.648 -1.072 864 HD22 LEU 106 1HD2 LEU 106 1.165 4.206 -2.028 865 HD23 LEU 106 2HD2 LEU 106 0.140 5.637 -2.310 866 H LYS 107 H LYS 107 3.966 9.853 -2.788 867 HA LYS 107 HA LYS 107 6.185 10.070 -0.954 868 HB2 LYS 107 1HB LYS 107 7.021 11.723 -2.315 869 HB3 LYS 107 2HB LYS 107 6.008 10.830 -3.441 870 HG2 LYS 107 1HG LYS 107 4.175 12.586 -2.954 871 HG3 LYS 107 2HG LYS 107 5.379 13.472 -2.038 872 HD2 LYS 107 1HD LYS 107 5.091 14.414 -4.234 873 HD3 LYS 107 2HD LYS 107 6.745 13.820 -4.026 874 HE2 LYS 107 1HE LYS 107 6.399 11.970 -5.459 875 HE3 LYS 107 2HE LYS 107 4.639 12.072 -5.323 876 HZ1 LYS 107 3HZ LYS 107 6.295 14.138 -6.674 877 HZ2 LYS 107 1HZ LYS 107 4.664 14.081 -6.642 878 HZ3 LYS 107 2HZ LYS 107 5.510 12.953 -7.467 879 H LYS 108 H LYS 108 2.988 11.426 -0.882 880 HA LYS 108 HA LYS 108 3.606 13.397 1.272 881 HB2 LYS 108 1HB LYS 108 1.154 12.763 -0.409 882 HB3 LYS 108 2HB LYS 108 0.934 13.461 1.178 883 HG2 LYS 108 1HG LYS 108 1.138 15.453 0.219 884 HG3 LYS 108 2HG LYS 108 2.864 15.154 0.232 885 HD2 LYS 108 1HD LYS 108 2.416 15.850 -1.979 886 HD3 LYS 108 2HD LYS 108 2.560 14.097 -2.098 887 HE2 LYS 108 1HE LYS 108 0.649 14.568 -3.380 888 HE3 LYS 108 2HE LYS 108 -0.008 14.017 -1.841 889 HZ1 LYS 108 3HZ LYS 108 -1.155 15.983 -2.556 890 HZ2 LYS 108 1HZ LYS 108 0.219 16.840 -2.741 891 HZ3 LYS 108 2HZ LYS 108 -0.285 16.411 -1.244 892 H ILE 109 H ILE 109 2.314 10.156 0.922 893 HA ILE 109 HA ILE 109 1.387 10.044 3.708 894 HB ILE 109 HB ILE 109 1.680 7.809 1.715 895 HG12 ILE 109 1HG1 ILE 109 -1.039 9.007 2.304 896 HG13 ILE 109 2HG1 ILE 109 -0.040 9.863 1.172 897 HG21 ILE 109 1HG2 ILE 109 1.076 7.800 4.497 898 HG22 ILE 109 2HG2 ILE 109 -0.447 7.473 3.708 899 HG23 ILE 109 3HG2 ILE 109 0.968 6.476 3.344 900 HD11 ILE 109 3HD1 ILE 109 -0.206 6.928 0.641 901 HD12 ILE 109 1HD1 ILE 109 -1.702 7.855 0.432 902 HD13 ILE 109 2HD1 ILE 109 -0.253 8.287 -0.472 903 H PHE 110 H PHE 110 3.780 7.982 1.910 904 HA PHE 110 HA PHE 110 4.966 7.061 4.401 905 HB2 PHE 110 1HB PHE 110 6.128 6.622 1.664 906 HB3 PHE 110 2HB PHE 110 6.243 5.594 3.069 907 HD1 PHE 110 HD2 PHE 110 3.378 5.324 3.885 908 HD2 PHE 110 HD1 PHE 110 5.198 5.303 -0.012 909 HE1 PHE 110 HE2 PHE 110 1.436 4.062 2.956 910 HE2 PHE 110 HE1 PHE 110 3.331 3.943 -0.883 911 HZ PHE 110 HZ PHE 110 1.406 3.383 0.586 912 H ASN 111 H ASN 111 5.506 9.768 2.496 913 HA ASN 111 HA ASN 111 7.005 11.436 2.356 914 HB2 ASN 111 1HB ASN 111 6.521 11.220 4.885 915 HB3 ASN 111 2HB ASN 111 8.203 10.687 4.988 916 HD21 ASN 111 2HD2 ASN 111 6.050 13.406 4.353 917 HD22 ASN 111 1HD2 ASN 111 7.342 14.596 4.298 918 H LEU 112 H LEU 112 7.827 10.181 0.535 919 HA LEU 112 HA LEU 112 10.544 9.017 0.862 920 HB2 LEU 112 1HB LEU 112 8.826 9.201 -1.641 921 HB3 LEU 112 2HB LEU 112 10.323 8.318 -1.445 922 HG LEU 112 HG LEU 112 8.888 6.581 -1.287 923 HD11 LEU 112 1HD1 LEU 112 8.544 5.789 0.951 924 HD12 LEU 112 2HD1 LEU 112 8.663 7.415 1.624 925 HD13 LEU 112 3HD1 LEU 112 10.086 6.653 0.896 926 HD21 LEU 112 3HD2 LEU 112 6.679 6.586 -0.591 927 HD22 LEU 112 1HD2 LEU 112 6.903 7.976 -1.626 928 HD23 LEU 112 2HD2 LEU 112 6.802 8.197 0.148 929 H ALA 113 H ALA 113 9.063 11.850 -0.546 930 HA ALA 113 HA ALA 113 11.066 12.823 -2.252 931 HB1 ALA 113 3HB ALA 113 9.930 14.987 -1.985 932 HB2 ALA 113 1HB ALA 113 8.747 13.676 -2.144 933 HB3 ALA 113 2HB ALA 113 9.081 14.389 -0.547 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -19.946 -18.660 10.164 2 H2 GLY 1 2H GLY 1 -20.849 -17.402 9.625 3 H3 GLY 1 3H GLY 1 -20.516 -18.658 8.630 4 HA2 GLY 1 1HA GLY 1 -18.267 -18.105 8.400 5 HA3 GLY 1 2HA GLY 1 -19.188 -16.609 8.188 6 H SER 2 H SER 2 -17.006 -18.407 10.246 7 HA SER 2 HA SER 2 -16.290 -15.967 11.774 8 HB2 SER 2 1HB SER 2 -16.285 -17.317 13.888 9 HB3 SER 2 2HB SER 2 -17.873 -16.906 13.236 10 HG SER 2 HG SER 2 -16.951 -19.318 13.823 11 H HIS 3 H HIS 3 -14.394 -15.843 10.661 12 HA HIS 3 HA HIS 3 -12.201 -17.565 11.564 13 HB2 HIS 3 1HB HIS 3 -11.398 -18.130 9.301 14 HB3 HIS 3 2HB HIS 3 -12.979 -18.809 9.597 15 HD1 HIS 3 HD1 HIS 3 -14.962 -17.977 8.026 16 HD2 HIS 3 HD2 HIS 3 -11.230 -16.078 7.475 17 HE1 HIS 3 HE1 HIS 3 -15.166 -16.565 5.873 18 HE2 HIS 3 HE2 HIS 3 -12.888 -15.419 5.545 19 H MET 4 H MET 4 -10.115 -16.771 10.339 20 HA MET 4 HA MET 4 -10.001 -13.769 10.315 21 HB2 MET 4 1HB MET 4 -8.042 -15.864 11.324 22 HB3 MET 4 2HB MET 4 -7.555 -14.201 10.993 23 HG2 MET 4 1HG MET 4 -8.794 -13.302 12.722 24 HG3 MET 4 2HG MET 4 -9.931 -14.645 12.793 25 HE1 MET 4 3HE MET 4 -9.851 -16.398 14.779 26 HE2 MET 4 1HE MET 4 -9.139 -17.094 13.306 27 HE3 MET 4 2HE MET 4 -8.352 -17.346 14.880 28 H GLY 5 H GLY 5 -8.609 -12.819 8.801 29 HA2 GLY 5 1HA GLY 5 -6.839 -13.895 6.977 30 HA3 GLY 5 2HA GLY 5 -8.411 -14.169 6.217 31 H SER 6 H SER 6 -9.681 -12.427 5.605 32 HA SER 6 HA SER 6 -8.414 -9.741 5.409 33 HB2 SER 6 1HB SER 6 -9.702 -9.700 3.144 34 HB3 SER 6 2HB SER 6 -8.204 -10.628 3.269 35 HG SER 6 HG SER 6 -10.866 -11.568 3.115 36 H VAL 7 H VAL 7 -10.007 -8.051 4.722 37 HA VAL 7 HA VAL 7 -12.109 -7.760 6.669 38 HB VAL 7 HB VAL 7 -11.902 -6.120 4.133 39 HG11 VAL 7 1HG1 VAL 7 -13.801 -5.525 5.567 40 HG12 VAL 7 2HG1 VAL 7 -12.733 -5.447 6.989 41 HG13 VAL 7 3HG1 VAL 7 -12.585 -4.271 5.674 42 HG21 VAL 7 3HG2 VAL 7 -10.335 -4.606 5.376 43 HG22 VAL 7 1HG2 VAL 7 -10.197 -5.830 6.649 44 HG23 VAL 7 2HG2 VAL 7 -9.600 -6.154 5.008 45 H GLY 8 H GLY 8 -14.458 -7.399 6.112 46 HA2 GLY 8 1HA GLY 8 -15.629 -9.635 4.805 47 HA3 GLY 8 2HA GLY 8 -16.481 -8.182 5.320 48 H LEU 9 H LEU 9 -14.537 -6.705 3.410 49 HA LEU 9 HA LEU 9 -16.038 -7.095 0.855 50 HB2 LEU 9 1HB LEU 9 -15.469 -4.785 0.334 51 HB3 LEU 9 2HB LEU 9 -16.397 -4.897 1.802 52 HG LEU 9 HG LEU 9 -13.474 -4.930 2.364 53 HD11 LEU 9 1HD1 LEU 9 -14.712 -2.538 0.971 54 HD12 LEU 9 2HD1 LEU 9 -13.352 -3.520 0.377 55 HD13 LEU 9 3HD1 LEU 9 -13.166 -2.526 1.839 56 HD21 LEU 9 3HD2 LEU 9 -14.068 -3.258 3.972 57 HD22 LEU 9 1HD2 LEU 9 -15.314 -4.522 4.020 58 HD23 LEU 9 2HD2 LEU 9 -15.646 -2.984 3.199 59 H ARG 10 H ARG 10 -14.536 -6.054 -0.957 60 HA ARG 10 HA ARG 10 -11.906 -7.531 -0.943 61 HB2 ARG 10 1HB ARG 10 -13.616 -8.773 -2.210 62 HB3 ARG 10 2HB ARG 10 -13.918 -7.376 -3.227 63 HG2 ARG 10 1HG ARG 10 -12.533 -8.948 -4.404 64 HG3 ARG 10 2HG ARG 10 -11.580 -7.507 -4.108 65 HD2 ARG 10 1HD ARG 10 -10.111 -8.566 -2.706 66 HD3 ARG 10 2HD ARG 10 -11.343 -9.589 -1.976 67 HE ARG 10 HE ARG 10 -9.604 -10.287 -4.163 68 HH11 ARG 10 1HH1 ARG 10 -12.820 -10.969 -2.960 69 HH12 ARG 10 2HH1 ARG 10 -12.915 -12.496 -3.788 70 HH21 ARG 10 1HH2 ARG 10 -9.757 -12.268 -5.143 71 HH22 ARG 10 2HH2 ARG 10 -11.219 -13.202 -5.003 72 H GLU 11 H GLU 11 -13.334 -5.447 -3.355 73 HA GLU 11 HA GLU 11 -11.178 -3.401 -2.981 74 HB2 GLU 11 1HB GLU 11 -11.622 -5.202 -5.314 75 HB3 GLU 11 2HB GLU 11 -11.116 -3.551 -5.654 76 HG2 GLU 11 1HG GLU 11 -9.021 -3.840 -4.890 77 HG3 GLU 11 2HG GLU 11 -9.483 -4.866 -3.554 78 H ILE 12 H ILE 12 -14.282 -4.251 -4.456 79 HA ILE 12 HA ILE 12 -14.948 -1.693 -5.452 80 HB ILE 12 HB ILE 12 -16.072 -3.626 -6.227 81 HG12 ILE 12 1HG1 ILE 12 -18.386 -2.908 -6.190 82 HG13 ILE 12 2HG1 ILE 12 -18.128 -1.924 -4.752 83 HG21 ILE 12 1HG2 ILE 12 -16.200 -4.610 -3.637 84 HG22 ILE 12 2HG2 ILE 12 -17.866 -4.131 -3.924 85 HG23 ILE 12 3HG2 ILE 12 -17.068 -5.258 -5.036 86 HD11 ILE 12 3HD1 ILE 12 -18.219 -0.661 -6.949 87 HD12 ILE 12 1HD1 ILE 12 -16.791 -0.329 -5.966 88 HD13 ILE 12 2HD1 ILE 12 -16.664 -1.411 -7.374 89 H ILE 13 H ILE 13 -14.917 0.055 -4.336 90 HA ILE 13 HA ILE 13 -16.529 0.379 -1.879 91 HB ILE 13 HB ILE 13 -14.713 1.648 -0.819 92 HG12 ILE 13 1HG1 ILE 13 -12.305 0.812 -1.619 93 HG13 ILE 13 2HG1 ILE 13 -13.055 0.785 -3.199 94 HG21 ILE 13 1HG2 ILE 13 -13.644 -0.172 0.170 95 HG22 ILE 13 2HG2 ILE 13 -15.256 -0.715 -0.294 96 HG23 ILE 13 3HG2 ILE 13 -13.845 -1.195 -1.269 97 HD11 ILE 13 3HD1 ILE 13 -11.840 2.882 -2.687 98 HD12 ILE 13 1HD1 ILE 13 -13.557 3.189 -3.031 99 HD13 ILE 13 2HD1 ILE 13 -12.940 3.210 -1.359 100 H SER 14 H SER 14 -16.361 2.751 -1.192 101 HA SER 14 HA SER 14 -16.704 4.595 -3.514 102 HB2 SER 14 1HB SER 14 -18.744 3.764 -1.822 103 HB3 SER 14 2HB SER 14 -18.183 5.244 -1.033 104 HG SER 14 HG SER 14 -19.179 4.869 -3.665 105 H GLU 15 H GLU 15 -16.663 6.944 -2.573 106 HA GLU 15 HA GLU 15 -14.056 7.636 -1.839 107 HB2 GLU 15 1HB GLU 15 -15.961 9.075 -2.758 108 HB3 GLU 15 2HB GLU 15 -16.543 9.215 -1.092 109 HG2 GLU 15 1HG GLU 15 -14.202 10.143 -0.525 110 HG3 GLU 15 2HG GLU 15 -13.917 10.201 -2.262 111 H GLU 16 H GLU 16 -16.628 6.700 0.351 112 HA GLU 16 HA GLU 16 -15.673 7.632 2.857 113 HB2 GLU 16 1HB GLU 16 -17.121 5.036 2.185 114 HB3 GLU 16 2HB GLU 16 -16.808 5.636 3.823 115 HG2 GLU 16 1HG GLU 16 -18.057 7.749 3.207 116 HG3 GLU 16 2HG GLU 16 -18.494 6.978 1.677 117 H ASP 17 H ASP 17 -14.963 4.413 1.408 118 HA ASP 17 HA ASP 17 -13.012 3.617 3.399 119 HB2 ASP 17 1HB ASP 17 -13.772 1.830 2.153 120 HB3 ASP 17 2HB ASP 17 -13.767 2.754 0.648 121 H VAL 18 H VAL 18 -12.738 5.313 0.243 122 HA VAL 18 HA VAL 18 -9.961 5.358 0.096 123 HB VAL 18 HB VAL 18 -11.755 7.595 -0.888 124 HG11 VAL 18 1HG1 VAL 18 -9.581 7.354 -2.615 125 HG12 VAL 18 2HG1 VAL 18 -9.843 8.612 -1.393 126 HG13 VAL 18 3HG1 VAL 18 -8.841 7.196 -1.039 127 HG21 VAL 18 3HG2 VAL 18 -10.964 4.915 -2.046 128 HG22 VAL 18 1HG2 VAL 18 -12.571 5.624 -1.885 129 HG23 VAL 18 2HG2 VAL 18 -11.459 6.257 -3.091 130 H LYS 19 H LYS 19 -12.048 7.400 2.098 131 HA LYS 19 HA LYS 19 -9.846 9.091 3.019 132 HB2 LYS 19 1HB LYS 19 -12.463 8.658 4.520 133 HB3 LYS 19 2HB LYS 19 -11.413 10.064 4.518 134 HG2 LYS 19 1HG LYS 19 -12.163 9.860 1.807 135 HG3 LYS 19 2HG LYS 19 -13.584 9.252 2.674 136 HD2 LYS 19 1HD LYS 19 -13.887 11.585 2.287 137 HD3 LYS 19 2HD LYS 19 -13.594 11.348 4.021 138 HE2 LYS 19 1HE LYS 19 -11.019 11.632 2.967 139 HE3 LYS 19 2HE LYS 19 -11.935 12.714 1.926 140 HZ1 LYS 19 3HZ LYS 19 -10.958 13.473 4.269 141 HZ2 LYS 19 1HZ LYS 19 -12.401 12.941 4.812 142 HZ3 LYS 19 2HZ LYS 19 -12.338 14.124 3.685 143 H GLN 20 H GLN 20 -11.573 6.318 4.454 144 HA GLN 20 HA GLN 20 -10.097 6.201 6.906 145 HB2 GLN 20 1HB GLN 20 -12.207 5.101 6.718 146 HB3 GLN 20 2HB GLN 20 -11.653 4.069 5.397 147 HG2 GLN 20 1HG GLN 20 -10.078 2.919 6.867 148 HG3 GLN 20 2HG GLN 20 -10.418 4.043 8.190 149 HE21 GLN 20 2HE2 GLN 20 -10.618 1.106 8.242 150 HE22 GLN 20 1HE2 GLN 20 -12.304 0.788 8.630 151 H VAL 21 H VAL 21 -9.572 4.338 3.871 152 HA VAL 21 HA VAL 21 -7.300 2.894 4.751 153 HB VAL 21 HB VAL 21 -8.650 2.336 2.789 154 HG11 VAL 21 1HG1 VAL 21 -8.683 3.445 0.840 155 HG12 VAL 21 2HG1 VAL 21 -8.564 4.823 1.916 156 HG13 VAL 21 3HG1 VAL 21 -7.111 4.271 1.085 157 HG21 VAL 21 3HG2 VAL 21 -5.730 2.702 2.071 158 HG22 VAL 21 1HG2 VAL 21 -6.373 1.374 3.054 159 HG23 VAL 21 2HG2 VAL 21 -6.866 1.548 1.356 160 H TYR 22 H TYR 22 -7.404 6.092 3.098 161 HA TYR 22 HA TYR 22 -4.597 6.528 3.027 162 HB2 TYR 22 1HB TYR 22 -7.034 8.254 2.952 163 HB3 TYR 22 2HB TYR 22 -5.555 9.034 3.453 164 HD1 TYR 22 HD1 TYR 22 -6.844 6.783 0.744 165 HD2 TYR 22 HD2 TYR 22 -4.045 9.857 1.858 166 HE1 TYR 22 HE1 TYR 22 -6.204 7.055 -1.636 167 HE2 TYR 22 HE2 TYR 22 -3.329 10.053 -0.518 168 HH TYR 22 HH TYR 22 -4.862 8.117 -3.116 169 H SER 23 H SER 23 -6.945 7.182 5.652 170 HA SER 23 HA SER 23 -5.103 8.273 7.548 171 HB2 SER 23 1HB SER 23 -7.861 7.156 7.654 172 HB3 SER 23 2HB SER 23 -6.946 7.139 9.165 173 HG SER 23 HG SER 23 -7.403 9.398 7.475 174 H ILE 24 H ILE 24 -5.586 4.894 6.639 175 HA ILE 24 HA ILE 24 -4.293 3.771 9.000 176 HB ILE 24 HB ILE 24 -4.563 2.509 6.240 177 HG12 ILE 24 1HG1 ILE 24 -6.369 2.087 8.665 178 HG13 ILE 24 2HG1 ILE 24 -6.768 3.145 7.325 179 HG21 ILE 24 1HG2 ILE 24 -2.868 1.392 7.547 180 HG22 ILE 24 2HG2 ILE 24 -3.899 1.382 8.995 181 HG23 ILE 24 3HG2 ILE 24 -4.315 0.389 7.591 182 HD11 ILE 24 3HD1 ILE 24 -6.466 1.114 5.772 183 HD12 ILE 24 1HD1 ILE 24 -6.564 0.141 7.254 184 HD13 ILE 24 2HD1 ILE 24 -7.913 1.206 6.796 185 H LEU 25 H LEU 25 -3.166 4.376 5.646 186 HA LEU 25 HA LEU 25 -0.400 3.845 6.382 187 HB2 LEU 25 1HB LEU 25 -0.004 4.823 4.030 188 HB3 LEU 25 2HB LEU 25 -0.589 3.206 4.252 189 HG LEU 25 HG LEU 25 -2.708 5.286 3.883 190 HD11 LEU 25 1HD1 LEU 25 -2.198 4.653 1.250 191 HD12 LEU 25 2HD1 LEU 25 -0.562 4.912 1.868 192 HD13 LEU 25 3HD1 LEU 25 -1.820 6.161 2.056 193 HD21 LEU 25 3HD2 LEU 25 -3.670 3.481 2.575 194 HD22 LEU 25 1HD2 LEU 25 -3.119 2.816 4.121 195 HD23 LEU 25 2HD2 LEU 25 -2.132 2.574 2.664 196 H LYS 26 H LYS 26 -2.287 6.705 6.499 197 HA LYS 26 HA LYS 26 -0.434 8.747 6.128 198 HB2 LYS 26 1HB LYS 26 -3.041 8.499 7.222 199 HB3 LYS 26 2HB LYS 26 -2.118 9.228 8.502 200 HG2 LYS 26 1HG LYS 26 -3.082 10.990 7.210 201 HG3 LYS 26 2HG LYS 26 -1.346 10.988 6.876 202 HD2 LYS 26 1HD LYS 26 -1.887 9.615 4.767 203 HD3 LYS 26 2HD LYS 26 -3.590 9.924 5.078 204 HE2 LYS 26 1HE LYS 26 -1.604 12.221 4.990 205 HE3 LYS 26 2HE LYS 26 -2.109 11.471 3.480 206 HZ1 LYS 26 3HZ LYS 26 -3.951 12.702 3.564 207 HZ2 LYS 26 1HZ LYS 26 -3.530 13.362 4.989 208 HZ3 LYS 26 2HZ LYS 26 -4.434 12.003 4.958 209 H GLU 27 H GLU 27 -0.484 6.558 8.804 210 HA GLU 27 HA GLU 27 1.359 8.113 10.466 211 HB2 GLU 27 1HB GLU 27 -0.402 6.587 11.358 212 HB3 GLU 27 2HB GLU 27 0.496 5.201 10.727 213 HG2 GLU 27 1HG GLU 27 2.211 5.427 12.302 214 HG3 GLU 27 2HG GLU 27 1.983 7.165 12.464 215 H LYS 28 H LYS 28 3.488 7.840 10.737 216 HA LYS 28 HA LYS 28 4.999 6.267 8.705 217 HB2 LYS 28 1HB LYS 28 5.745 8.612 10.489 218 HB3 LYS 28 2HB LYS 28 6.844 7.849 9.353 219 HG2 LYS 28 1HG LYS 28 4.166 9.057 8.501 220 HG3 LYS 28 2HG LYS 28 5.630 10.009 8.615 221 HD2 LYS 28 1HD LYS 28 5.300 7.592 6.753 222 HD3 LYS 28 2HD LYS 28 5.081 9.279 6.327 223 HE2 LYS 28 1HE LYS 28 7.238 9.259 5.750 224 HE3 LYS 28 2HE LYS 28 7.497 9.552 7.465 225 HZ1 LYS 28 3HZ LYS 28 7.563 6.924 7.493 226 HZ2 LYS 28 1HZ LYS 28 8.885 7.772 7.044 227 HZ3 LYS 28 2HZ LYS 28 7.933 7.123 5.895 228 H ASP 29 H ASP 29 4.281 6.136 11.996 229 HA ASP 29 HA ASP 29 6.738 4.843 12.937 230 HB2 ASP 29 1HB ASP 29 4.063 5.262 14.320 231 HB3 ASP 29 2HB ASP 29 5.582 4.806 15.094 232 H ILE 30 H ILE 30 4.391 3.645 11.045 233 HA ILE 30 HA ILE 30 3.706 1.128 12.264 234 HB ILE 30 HB ILE 30 2.741 0.533 10.121 235 HG12 ILE 30 1HG1 ILE 30 2.807 2.487 8.350 236 HG13 ILE 30 2HG1 ILE 30 4.316 2.910 9.121 237 HG21 ILE 30 1HG2 ILE 30 2.168 3.431 10.860 238 HG22 ILE 30 2HG2 ILE 30 1.122 2.374 9.910 239 HG23 ILE 30 3HG2 ILE 30 1.453 1.985 11.607 240 HD11 ILE 30 3HD1 ILE 30 5.321 0.795 8.401 241 HD12 ILE 30 1HD1 ILE 30 3.731 0.099 8.056 242 HD13 ILE 30 2HD1 ILE 30 4.398 1.373 7.029 243 H SER 31 H SER 31 6.592 2.127 10.850 244 HA SER 31 HA SER 31 7.632 0.148 9.261 245 HB2 SER 31 1HB SER 31 8.821 2.157 9.675 246 HB3 SER 31 2HB SER 31 8.989 1.795 11.405 247 HG SER 31 HG SER 31 10.716 0.707 10.948 248 H VAL 32 H VAL 32 7.407 -1.950 9.503 249 HA VAL 32 HA VAL 32 7.318 -3.291 12.029 250 HB VAL 32 HB VAL 32 6.158 -4.009 9.905 251 HG11 VAL 32 1HG1 VAL 32 8.789 -5.365 9.223 252 HG12 VAL 32 2HG1 VAL 32 7.240 -5.479 8.356 253 HG13 VAL 32 3HG1 VAL 32 8.114 -3.942 8.395 254 HG21 VAL 32 3HG2 VAL 32 6.594 -5.381 12.114 255 HG22 VAL 32 1HG2 VAL 32 5.863 -6.100 10.699 256 HG23 VAL 32 2HG2 VAL 32 7.592 -6.386 11.035 257 H ASP 33 H ASP 33 8.693 -4.987 12.837 258 HA ASP 33 HA ASP 33 11.447 -4.221 13.007 259 HB2 ASP 33 1HB ASP 33 9.635 -5.953 14.394 260 HB3 ASP 33 2HB ASP 33 10.955 -6.978 13.861 261 H SER 34 H SER 34 13.373 -5.332 12.314 262 HA SER 34 HA SER 34 13.263 -6.334 9.622 263 HB2 SER 34 1HB SER 34 15.702 -6.704 9.926 264 HB3 SER 34 2HB SER 34 15.171 -5.076 10.383 265 HG SER 34 HG SER 34 16.603 -6.036 11.936 266 H THR 35 H THR 35 13.768 -8.025 12.726 267 HA THR 35 HA THR 35 14.145 -10.654 11.639 268 HB THR 35 HB THR 35 12.925 -9.865 14.318 269 HG1 THR 35 HG1 THR 35 15.605 -10.435 13.563 270 HG21 THR 35 3HG2 THR 35 14.275 -12.454 13.419 271 HG22 THR 35 1HG2 THR 35 12.577 -12.255 13.911 272 HG23 THR 35 2HG2 THR 35 13.868 -12.037 15.100 273 H THR 36 H THR 36 11.169 -8.991 12.719 274 HA THR 36 HA THR 36 9.382 -11.147 11.977 275 HB THR 36 HB THR 36 8.814 -8.217 12.569 276 HG1 THR 36 HG1 THR 36 8.288 -9.111 14.606 277 HG21 THR 36 3HG2 THR 36 6.535 -9.261 13.272 278 HG22 THR 36 1HG2 THR 36 6.993 -10.629 12.231 279 HG23 THR 36 2HG2 THR 36 6.838 -8.990 11.555 280 H TRP 37 H TRP 37 10.672 -8.367 10.189 281 HA TRP 37 HA TRP 37 8.901 -8.144 8.138 282 HB2 TRP 37 1HB TRP 37 10.744 -6.645 8.282 283 HB3 TRP 37 2HB TRP 37 11.906 -7.948 8.030 284 HD1 TRP 37 HD1 TRP 37 13.027 -7.290 5.828 285 HE1 TRP 37 HE1 TRP 37 12.220 -6.905 3.398 286 HE3 TRP 37 HE3 TRP 37 7.956 -7.201 6.589 287 HZ2 TRP 37 HZ2 TRP 37 9.720 -6.923 1.964 288 HZ3 TRP 37 HZ3 TRP 37 6.421 -7.266 4.709 289 HH2 TRP 37 HH2 TRP 37 7.244 -7.108 2.381 290 H ASN 38 H ASN 38 11.448 -10.596 8.338 291 HA ASN 38 HA ASN 38 11.154 -11.762 5.800 292 HB2 ASN 38 1HB ASN 38 12.781 -12.180 7.949 293 HB3 ASN 38 2HB ASN 38 11.706 -13.554 8.170 294 HD21 ASN 38 2HD2 ASN 38 13.870 -11.917 5.842 295 HD22 ASN 38 1HD2 ASN 38 14.256 -13.385 4.954 296 H ARG 39 H ARG 39 9.189 -12.321 8.684 297 HA ARG 39 HA ARG 39 7.490 -14.418 7.441 298 HB2 ARG 39 1HB ARG 39 7.411 -12.973 10.132 299 HB3 ARG 39 2HB ARG 39 6.111 -14.013 9.562 300 HG2 ARG 39 1HG ARG 39 7.500 -15.294 11.010 301 HG3 ARG 39 2HG ARG 39 7.652 -15.923 9.368 302 HD2 ARG 39 1HD ARG 39 9.853 -14.902 9.116 303 HD3 ARG 39 2HD ARG 39 9.650 -13.995 10.620 304 HE ARG 39 HE ARG 39 10.268 -15.851 11.838 305 HH11 ARG 39 1HH1 ARG 39 9.633 -17.015 8.592 306 HH12 ARG 39 2HH1 ARG 39 10.245 -18.606 8.954 307 HH21 ARG 39 1HH2 ARG 39 11.030 -17.873 12.225 308 HH22 ARG 39 2HH2 ARG 39 11.020 -19.071 10.963 309 H ARG 40 H ARG 40 7.176 -11.003 8.370 310 HA ARG 40 HA ARG 40 4.526 -10.466 7.526 311 HB2 ARG 40 1HB ARG 40 7.044 -8.858 7.562 312 HB3 ARG 40 2HB ARG 40 5.578 -8.136 6.918 313 HG2 ARG 40 1HG ARG 40 5.744 -9.394 9.680 314 HG3 ARG 40 2HG ARG 40 6.113 -7.695 9.312 315 HD2 ARG 40 1HD ARG 40 3.999 -7.142 9.433 316 HD3 ARG 40 2HD ARG 40 3.611 -8.234 8.089 317 HE ARG 40 HE ARG 40 3.532 -10.018 10.063 318 HH11 ARG 40 1HH1 ARG 40 1.943 -6.965 9.665 319 HH12 ARG 40 2HH1 ARG 40 0.611 -7.400 10.712 320 HH21 ARG 40 1HH2 ARG 40 1.975 -10.475 11.516 321 HH22 ARG 40 2HH2 ARG 40 0.653 -9.367 11.781 322 H TYR 41 H TYR 41 7.397 -10.816 5.495 323 HA TYR 41 HA TYR 41 6.318 -9.933 3.064 324 HB2 TYR 41 1HB TYR 41 8.699 -10.895 3.723 325 HB3 TYR 41 2HB TYR 41 8.050 -12.407 3.106 326 HD1 TYR 41 HD2 TYR 41 6.834 -12.167 0.674 327 HD2 TYR 41 HD1 TYR 41 9.822 -9.506 2.269 328 HE1 TYR 41 HE2 TYR 41 7.180 -11.189 -1.590 329 HE2 TYR 41 HE1 TYR 41 10.162 -8.522 -0.014 330 HH TYR 41 HH TYR 41 9.535 -8.631 -2.292 331 H ARG 42 H ARG 42 5.784 -13.036 4.711 332 HA ARG 42 HA ARG 42 4.392 -14.385 2.559 333 HB2 ARG 42 1HB ARG 42 5.513 -15.548 4.518 334 HB3 ARG 42 2HB ARG 42 4.237 -14.927 5.560 335 HG2 ARG 42 1HG ARG 42 3.432 -17.046 5.113 336 HG3 ARG 42 2HG ARG 42 2.575 -16.104 3.909 337 HD2 ARG 42 1HD ARG 42 3.330 -17.930 2.684 338 HD3 ARG 42 2HD ARG 42 4.559 -16.708 2.313 339 HE ARG 42 HE ARG 42 5.320 -18.238 4.638 340 HH11 ARG 42 1HH1 ARG 42 5.189 -18.641 1.174 341 HH12 ARG 42 2HH1 ARG 42 6.355 -19.938 1.187 342 HH21 ARG 42 1HH2 ARG 42 6.770 -19.893 4.609 343 HH22 ARG 42 2HH2 ARG 42 7.225 -20.624 3.100 344 H GLU 43 H GLU 43 2.977 -13.112 5.670 345 HA GLU 43 HA GLU 43 0.297 -13.319 4.822 346 HB2 GLU 43 1HB GLU 43 -0.086 -11.459 6.553 347 HB3 GLU 43 2HB GLU 43 0.510 -13.022 7.063 348 HG2 GLU 43 1HG GLU 43 2.665 -11.079 6.515 349 HG3 GLU 43 2HG GLU 43 1.561 -10.556 7.747 350 H TYR 44 H TYR 44 2.537 -10.574 4.356 351 HA TYR 44 HA TYR 44 0.568 -8.951 2.996 352 HB2 TYR 44 1HB TYR 44 3.587 -8.872 2.934 353 HB3 TYR 44 2HB TYR 44 2.550 -7.674 2.201 354 HD1 TYR 44 HD2 TYR 44 0.566 -8.099 4.872 355 HD2 TYR 44 HD1 TYR 44 4.562 -6.851 4.014 356 HE1 TYR 44 HE2 TYR 44 0.593 -6.834 7.006 357 HE2 TYR 44 HE1 TYR 44 4.684 -5.725 6.334 358 HH TYR 44 HH TYR 44 1.844 -5.041 8.136 359 H MET 45 H MET 45 2.927 -11.337 1.692 360 HA MET 45 HA MET 45 2.329 -10.952 -1.037 361 HB2 MET 45 1HB MET 45 3.506 -13.180 0.573 362 HB3 MET 45 2HB MET 45 2.676 -13.698 -0.877 363 HG2 MET 45 1HG MET 45 3.938 -12.001 -2.183 364 HG3 MET 45 2HG MET 45 4.937 -11.702 -0.760 365 HE1 MET 45 3HE MET 45 7.173 -13.238 -3.226 366 HE2 MET 45 1HE MET 45 5.786 -13.923 -4.101 367 HE3 MET 45 2HE MET 45 5.722 -12.250 -3.512 368 H GLU 46 H GLU 46 0.500 -12.786 1.414 369 HA GLU 46 HA GLU 46 -1.385 -13.777 -0.606 370 HB2 GLU 46 1HB GLU 46 -2.029 -13.811 2.330 371 HB3 GLU 46 2HB GLU 46 -2.565 -14.864 1.004 372 HG2 GLU 46 1HG GLU 46 0.123 -15.287 0.875 373 HG3 GLU 46 2HG GLU 46 -0.049 -14.896 2.590 374 H LYS 47 H LYS 47 -1.310 -11.035 1.637 375 HA LYS 47 HA LYS 47 -3.960 -10.113 1.248 376 HB2 LYS 47 1HB LYS 47 -1.397 -8.754 1.995 377 HB3 LYS 47 2HB LYS 47 -2.839 -7.776 1.695 378 HG2 LYS 47 1HG LYS 47 -4.106 -8.898 3.375 379 HG3 LYS 47 2HG LYS 47 -2.875 -10.152 3.566 380 HD2 LYS 47 1HD LYS 47 -1.447 -7.794 4.087 381 HD3 LYS 47 2HD LYS 47 -3.000 -7.449 4.798 382 HE2 LYS 47 1HE LYS 47 -1.259 -9.848 5.419 383 HE3 LYS 47 2HE LYS 47 -1.535 -8.426 6.441 384 HZ1 LYS 47 3HZ LYS 47 -3.963 -9.069 6.387 385 HZ2 LYS 47 1HZ LYS 47 -3.001 -10.124 7.215 386 HZ3 LYS 47 2HZ LYS 47 -3.541 -10.485 5.713 387 H ILE 48 H ILE 48 -1.488 -10.208 -1.082 388 HA ILE 48 HA ILE 48 -2.382 -8.073 -2.799 389 HB ILE 48 HB ILE 48 -0.874 -10.537 -3.682 390 HG12 ILE 48 1HG1 ILE 48 0.402 -9.869 -1.810 391 HG13 ILE 48 2HG1 ILE 48 1.210 -9.184 -3.202 392 HG21 ILE 48 1HG2 ILE 48 -1.600 -8.976 -5.464 393 HG22 ILE 48 2HG2 ILE 48 -0.798 -7.637 -4.608 394 HG23 ILE 48 3HG2 ILE 48 0.149 -9.008 -5.245 395 HD11 ILE 48 3HD1 ILE 48 -0.469 -7.729 -1.110 396 HD12 ILE 48 1HD1 ILE 48 1.233 -7.506 -1.562 397 HD13 ILE 48 2HD1 ILE 48 -0.046 -6.974 -2.656 398 H LYS 49 H LYS 49 -3.302 -11.451 -2.544 399 HA LYS 49 HA LYS 49 -5.331 -11.091 -4.739 400 HB2 LYS 49 1HB LYS 49 -5.056 -13.241 -5.464 401 HB3 LYS 49 2HB LYS 49 -3.398 -12.759 -5.121 402 HG2 LYS 49 1HG LYS 49 -5.106 -14.455 -3.249 403 HG3 LYS 49 2HG LYS 49 -4.041 -15.088 -4.482 404 HD2 LYS 49 1HD LYS 49 -2.570 -13.188 -2.821 405 HD3 LYS 49 2HD LYS 49 -3.382 -14.383 -1.806 406 HE2 LYS 49 1HE LYS 49 -1.558 -14.967 -4.164 407 HE3 LYS 49 2HE LYS 49 -1.048 -14.934 -2.461 408 HZ1 LYS 49 3HZ LYS 49 -2.887 -16.891 -3.713 409 HZ2 LYS 49 1HZ LYS 49 -2.803 -16.710 -2.090 410 HZ3 LYS 49 2HZ LYS 49 -1.491 -17.190 -2.928 411 H THR 50 H THR 50 -4.850 -12.046 -1.479 412 HA THR 50 HA THR 50 -7.704 -12.881 -1.088 413 HB THR 50 HB THR 50 -5.451 -14.146 -0.299 414 HG1 THR 50 HG1 THR 50 -7.390 -15.128 -0.276 415 HG21 THR 50 3HG2 THR 50 -6.559 -12.757 2.139 416 HG22 THR 50 1HG2 THR 50 -4.972 -12.394 1.423 417 HG23 THR 50 2HG2 THR 50 -5.275 -14.001 2.099 418 H GLY 51 H GLY 51 -5.381 -10.424 -0.220 419 HA2 GLY 51 1HA GLY 51 -6.850 -9.396 2.014 420 HA3 GLY 51 2HA GLY 51 -5.507 -8.587 1.223 421 H SER 52 H SER 52 -7.708 -7.393 2.255 422 HA SER 52 HA SER 52 -9.486 -6.558 0.054 423 HB2 SER 52 1HB SER 52 -10.010 -6.991 2.612 424 HB3 SER 52 2HB SER 52 -9.411 -5.334 2.806 425 HG SER 52 HG SER 52 -11.625 -6.316 1.354 426 H VAL 53 H VAL 53 -9.914 -4.136 -0.010 427 HA VAL 53 HA VAL 53 -7.818 -2.554 -0.945 428 HB VAL 53 HB VAL 53 -10.062 -1.958 -1.373 429 HG11 VAL 53 1HG1 VAL 53 -11.644 -1.157 0.216 430 HG12 VAL 53 2HG1 VAL 53 -11.140 -2.788 0.653 431 HG13 VAL 53 3HG1 VAL 53 -10.512 -1.393 1.551 432 HG21 VAL 53 3HG2 VAL 53 -8.366 -0.083 -1.143 433 HG22 VAL 53 1HG2 VAL 53 -10.066 0.384 -1.030 434 HG23 VAL 53 2HG2 VAL 53 -9.083 0.272 0.437 435 H PHE 54 H PHE 54 -9.114 -2.445 2.354 436 HA PHE 54 HA PHE 54 -7.293 -0.605 3.485 437 HB2 PHE 54 1HB PHE 54 -8.827 -2.944 4.689 438 HB3 PHE 54 2HB PHE 54 -7.974 -1.733 5.647 439 HD1 PHE 54 HD2 PHE 54 -8.591 0.835 4.656 440 HD2 PHE 54 HD1 PHE 54 -11.181 -2.612 4.658 441 HE1 PHE 54 HE2 PHE 54 -10.557 2.304 4.550 442 HE2 PHE 54 HE1 PHE 54 -13.161 -1.087 4.603 443 HZ PHE 54 HZ PHE 54 -12.848 1.353 4.632 444 H GLU 55 H GLU 55 -6.858 -4.008 2.770 445 HA GLU 55 HA GLU 55 -4.392 -4.254 4.378 446 HB2 GLU 55 1HB GLU 55 -5.752 -6.236 2.505 447 HB3 GLU 55 2HB GLU 55 -4.350 -6.524 3.505 448 HG2 GLU 55 1HG GLU 55 -5.921 -5.654 5.479 449 HG3 GLU 55 2HG GLU 55 -7.217 -6.058 4.344 450 H ILE 56 H ILE 56 -5.225 -4.344 0.852 451 HA ILE 56 HA ILE 56 -2.672 -4.527 -0.250 452 HB ILE 56 HB ILE 56 -5.107 -2.952 -1.101 453 HG12 ILE 56 1HG1 ILE 56 -5.258 -5.436 -1.061 454 HG13 ILE 56 2HG1 ILE 56 -5.486 -4.734 -2.658 455 HG21 ILE 56 1HG2 ILE 56 -3.301 -1.765 -2.179 456 HG22 ILE 56 2HG2 ILE 56 -2.529 -3.277 -2.685 457 HG23 ILE 56 3HG2 ILE 56 -4.105 -2.776 -3.353 458 HD11 ILE 56 3HD1 ILE 56 -2.978 -6.119 -1.641 459 HD12 ILE 56 1HD1 ILE 56 -4.179 -6.744 -2.791 460 HD13 ILE 56 2HD1 ILE 56 -3.147 -5.376 -3.243 461 H ALA 57 H ALA 57 -4.348 -1.518 0.734 462 HA ALA 57 HA ALA 57 -2.121 0.150 0.119 463 HB1 ALA 57 3HB ALA 57 -4.647 0.692 0.574 464 HB2 ALA 57 1HB ALA 57 -4.099 0.858 2.266 465 HB3 ALA 57 2HB ALA 57 -3.399 1.865 0.967 466 H GLU 58 H GLU 58 -2.820 -1.721 3.083 467 HA GLU 58 HA GLU 58 -0.686 -0.498 4.655 468 HB2 GLU 58 1HB GLU 58 -2.470 -2.928 4.967 469 HB3 GLU 58 2HB GLU 58 -1.008 -2.786 5.927 470 HG2 GLU 58 1HG GLU 58 -1.862 -0.387 6.475 471 HG3 GLU 58 2HG GLU 58 -3.415 -0.963 5.921 472 H VAL 59 H VAL 59 -0.926 -3.276 2.484 473 HA VAL 59 HA VAL 59 1.574 -4.511 3.050 474 HB VAL 59 HB VAL 59 -0.002 -4.462 0.428 475 HG11 VAL 59 1HG1 VAL 59 2.602 -5.706 1.185 476 HG12 VAL 59 2HG1 VAL 59 1.446 -6.735 0.360 477 HG13 VAL 59 3HG1 VAL 59 1.974 -5.224 -0.400 478 HG21 VAL 59 3HG2 VAL 59 -0.898 -5.584 2.713 479 HG22 VAL 59 1HG2 VAL 59 -1.119 -6.298 1.107 480 HG23 VAL 59 2HG2 VAL 59 0.169 -6.870 2.191 481 H LEU 60 H LEU 60 0.839 -2.382 0.255 482 HA LEU 60 HA LEU 60 3.567 -2.091 -0.515 483 HB2 LEU 60 1HB LEU 60 2.734 -1.169 -2.265 484 HB3 LEU 60 2HB LEU 60 1.137 -1.422 -1.635 485 HG LEU 60 HG LEU 60 2.708 1.166 -1.173 486 HD11 LEU 60 1HD1 LEU 60 1.646 2.076 -3.035 487 HD12 LEU 60 2HD1 LEU 60 0.612 0.630 -3.276 488 HD13 LEU 60 3HD1 LEU 60 2.367 0.568 -3.551 489 HD21 LEU 60 3HD2 LEU 60 0.243 1.993 -0.996 490 HD22 LEU 60 1HD2 LEU 60 0.881 1.122 0.367 491 HD23 LEU 60 2HD2 LEU 60 -0.169 0.277 -0.775 492 H ARG 61 H ARG 61 1.677 -0.251 1.772 493 HA ARG 61 HA ARG 61 3.458 1.935 2.285 494 HB2 ARG 61 1HB ARG 61 1.144 1.925 3.073 495 HB3 ARG 61 2HB ARG 61 1.409 0.445 3.953 496 HG2 ARG 61 1HG ARG 61 3.234 1.994 5.269 497 HG3 ARG 61 2HG ARG 61 2.153 3.247 4.715 498 HD2 ARG 61 1HD ARG 61 1.356 2.604 6.817 499 HD3 ARG 61 2HD ARG 61 0.237 1.875 5.655 500 HE ARG 61 HE ARG 61 2.151 -0.117 6.184 501 HH11 ARG 61 1HH1 ARG 61 -0.365 1.534 8.039 502 HH12 ARG 61 2HH1 ARG 61 -0.783 -0.001 8.795 503 HH21 ARG 61 1HH2 ARG 61 1.805 -1.802 7.655 504 HH22 ARG 61 2HH2 ARG 61 0.245 -1.736 8.492 505 H ASP 62 H ASP 62 3.109 -1.198 3.992 506 HA ASP 62 HA ASP 62 5.272 -0.746 5.782 507 HB2 ASP 62 1HB ASP 62 3.508 -2.954 5.145 508 HB3 ASP 62 2HB ASP 62 5.158 -3.553 5.181 509 H LEU 63 H LEU 63 5.255 -2.413 2.627 510 HA LEU 63 HA LEU 63 8.036 -2.947 2.374 511 HB2 LEU 63 1HB LEU 63 5.820 -2.385 0.401 512 HB3 LEU 63 2HB LEU 63 7.454 -2.703 -0.156 513 HG LEU 63 HG LEU 63 6.272 -4.658 1.823 514 HD11 LEU 63 1HD1 LEU 63 5.625 -4.781 -1.144 515 HD12 LEU 63 2HD1 LEU 63 4.480 -4.238 0.101 516 HD13 LEU 63 3HD1 LEU 63 5.114 -5.877 0.162 517 HD21 LEU 63 3HD2 LEU 63 8.008 -4.904 -0.668 518 HD22 LEU 63 1HD2 LEU 63 7.557 -6.250 0.373 519 HD23 LEU 63 2HD2 LEU 63 8.588 -4.946 1.012 520 H TYR 64 H TYR 64 6.262 0.045 1.421 521 HA TYR 64 HA TYR 64 8.514 1.435 0.438 522 HB2 TYR 64 1HB TYR 64 5.765 2.142 1.213 523 HB3 TYR 64 2HB TYR 64 6.917 3.434 1.467 524 HD1 TYR 64 HD1 TYR 64 8.735 3.721 -0.488 525 HD2 TYR 64 HD2 TYR 64 4.805 2.020 -0.957 526 HE1 TYR 64 HE1 TYR 64 8.734 4.371 -2.886 527 HE2 TYR 64 HE2 TYR 64 4.795 2.642 -3.336 528 HH TYR 64 HH TYR 64 7.490 4.641 -4.734 529 H LEU 65 H LEU 65 7.169 1.495 3.747 530 HA LEU 65 HA LEU 65 9.243 3.299 4.714 531 HB2 LEU 65 1HB LEU 65 7.324 1.538 6.289 532 HB3 LEU 65 2HB LEU 65 8.301 2.864 6.928 533 HG LEU 65 HG LEU 65 5.911 3.037 5.060 534 HD11 LEU 65 1HD1 LEU 65 4.847 4.059 6.809 535 HD12 LEU 65 2HD1 LEU 65 6.343 4.753 7.483 536 HD13 LEU 65 3HD1 LEU 65 5.994 3.056 7.733 537 HD21 LEU 65 3HD2 LEU 65 7.443 4.601 4.080 538 HD22 LEU 65 1HD2 LEU 65 7.972 5.166 5.668 539 HD23 LEU 65 2HD2 LEU 65 6.312 5.525 5.078 540 H LEU 66 H LEU 66 8.975 -0.194 4.613 541 HA LEU 66 HA LEU 66 11.093 -0.944 6.334 542 HB2 LEU 66 1HB LEU 66 9.701 -2.098 3.926 543 HB3 LEU 66 2HB LEU 66 11.202 -2.845 4.410 544 HG LEU 66 HG LEU 66 9.067 -2.353 6.511 545 HD11 LEU 66 1HD1 LEU 66 8.206 -4.619 6.049 546 HD12 LEU 66 2HD1 LEU 66 9.229 -4.688 4.584 547 HD13 LEU 66 3HD1 LEU 66 7.909 -3.545 4.699 548 HD21 LEU 66 3HD2 LEU 66 11.288 -4.412 6.089 549 HD22 LEU 66 1HD2 LEU 66 10.171 -4.409 7.456 550 HD23 LEU 66 2HD2 LEU 66 11.307 -3.069 7.253 551 H LYS 67 H LYS 67 11.201 0.108 2.945 552 HA LYS 67 HA LYS 67 14.115 -0.127 2.826 553 HB2 LYS 67 1HB LYS 67 12.049 -0.036 0.950 554 HB3 LYS 67 2HB LYS 67 12.836 1.507 0.700 555 HG2 LYS 67 1HG LYS 67 14.457 -1.073 0.915 556 HG3 LYS 67 2HG LYS 67 13.601 -0.693 -0.543 557 HD2 LYS 67 1HD LYS 67 15.242 0.587 -1.268 558 HD3 LYS 67 2HD LYS 67 15.102 1.683 0.099 559 HE2 LYS 67 1HE LYS 67 16.556 -0.975 0.357 560 HE3 LYS 67 2HE LYS 67 17.357 0.373 -0.449 561 HZ1 LYS 67 3HZ LYS 67 17.400 1.613 1.495 562 HZ2 LYS 67 1HZ LYS 67 17.674 0.115 2.083 563 HZ3 LYS 67 2HZ LYS 67 16.195 0.821 2.227 564 H GLY 68 H GLY 68 11.878 2.431 3.570 565 HA2 GLY 68 1HA GLY 68 12.221 4.534 4.488 566 HA3 GLY 68 2HA GLY 68 13.931 4.144 4.667 567 H ASP 69 H ASP 69 12.621 3.913 1.436 568 HA ASP 69 HA ASP 69 13.275 6.628 0.627 569 HB2 ASP 69 1HB ASP 69 15.488 5.105 0.822 570 HB3 ASP 69 2HB ASP 69 14.910 4.480 -0.714 571 H LYS 70 H LYS 70 12.817 7.003 -1.649 572 HA LYS 70 HA LYS 70 10.523 5.661 -2.734 573 HB2 LYS 70 1HB LYS 70 10.843 7.148 -4.669 574 HB3 LYS 70 2HB LYS 70 10.994 8.002 -3.137 575 HG2 LYS 70 1HG LYS 70 13.568 7.627 -3.406 576 HG3 LYS 70 2HG LYS 70 13.202 7.274 -5.088 577 HD2 LYS 70 1HD LYS 70 12.113 9.830 -3.863 578 HD3 LYS 70 2HD LYS 70 13.847 9.695 -4.154 579 HE2 LYS 70 1HE LYS 70 13.357 9.032 -6.530 580 HE3 LYS 70 2HE LYS 70 11.653 9.419 -6.249 581 HZ1 LYS 70 3HZ LYS 70 13.817 11.380 -5.724 582 HZ2 LYS 70 1HZ LYS 70 12.220 11.687 -5.886 583 HZ3 LYS 70 2HZ LYS 70 13.116 11.263 -7.191 584 H ASP 71 H ASP 71 13.934 5.316 -3.487 585 HA ASP 71 HA ASP 71 13.459 3.481 -5.730 586 HB2 ASP 71 1HB ASP 71 15.314 5.172 -5.657 587 HB3 ASP 71 2HB ASP 71 16.080 4.235 -4.380 588 H LEU 72 H LEU 72 12.153 2.011 -4.455 589 HA LEU 72 HA LEU 72 13.116 0.523 -2.278 590 HB2 LEU 72 1HB LEU 72 10.766 0.478 -3.964 591 HB3 LEU 72 2HB LEU 72 11.369 -1.174 -3.824 592 HG LEU 72 HG LEU 72 11.436 -0.896 -1.326 593 HD11 LEU 72 1HD1 LEU 72 11.482 1.678 -1.406 594 HD12 LEU 72 2HD1 LEU 72 10.356 0.953 -0.275 595 HD13 LEU 72 3HD1 LEU 72 9.769 1.609 -1.824 596 HD21 LEU 72 3HD2 LEU 72 9.037 -1.116 -1.006 597 HD22 LEU 72 1HD2 LEU 72 9.488 -1.940 -2.510 598 HD23 LEU 72 2HD2 LEU 72 8.739 -0.328 -2.558 599 H SER 73 H SER 73 13.792 -1.668 -2.040 600 HA SER 73 HA SER 73 16.015 -2.344 -3.773 601 HB2 SER 73 1HB SER 73 15.632 -2.886 -1.209 602 HB3 SER 73 2HB SER 73 14.761 -4.299 -1.834 603 HG SER 73 HG SER 73 17.479 -3.556 -2.248 604 H PHE 74 H PHE 74 16.221 -4.307 -5.046 605 HA PHE 74 HA PHE 74 14.158 -4.826 -6.878 606 HB2 PHE 74 1HB PHE 74 16.469 -5.384 -7.332 607 HB3 PHE 74 2HB PHE 74 16.502 -6.559 -6.023 608 HD1 PHE 74 HD1 PHE 74 14.953 -5.830 -9.361 609 HD2 PHE 74 HD2 PHE 74 15.786 -8.825 -6.366 610 HE1 PHE 74 HE1 PHE 74 14.179 -7.614 -10.917 611 HE2 PHE 74 HE2 PHE 74 14.999 -10.595 -7.930 612 HZ PHE 74 HZ PHE 74 14.229 -9.992 -10.208 613 H GLY 75 H GLY 75 14.883 -6.631 -3.897 614 HA2 GLY 75 1HA GLY 75 12.896 -8.674 -4.142 615 HA3 GLY 75 2HA GLY 75 13.627 -8.122 -2.633 616 H GLU 76 H GLU 76 12.748 -5.557 -2.332 617 HA GLU 76 HA GLU 76 10.039 -5.975 -1.436 618 HB2 GLU 76 1HB GLU 76 11.496 -3.315 -1.659 619 HB3 GLU 76 2HB GLU 76 10.132 -3.728 -0.609 620 HG2 GLU 76 1HG GLU 76 11.851 -5.666 0.185 621 HG3 GLU 76 2HG GLU 76 13.034 -4.495 -0.392 622 H ARG 77 H ARG 77 11.405 -4.294 -4.231 623 HA ARG 77 HA ARG 77 9.045 -3.146 -5.306 624 HB2 ARG 77 1HB ARG 77 11.610 -3.001 -6.024 625 HB3 ARG 77 2HB ARG 77 11.175 -4.328 -7.083 626 HG2 ARG 77 1HG ARG 77 10.945 -2.438 -8.411 627 HG3 ARG 77 2HG ARG 77 9.271 -2.743 -7.949 628 HD2 ARG 77 1HD ARG 77 9.164 -0.854 -6.587 629 HD3 ARG 77 2HD ARG 77 10.891 -0.913 -6.186 630 HE ARG 77 HE ARG 77 10.730 -0.323 -8.932 631 HH11 ARG 77 1HH1 ARG 77 9.861 1.333 -5.984 632 HH12 ARG 77 2HH1 ARG 77 10.339 2.891 -6.598 633 HH21 ARG 77 1HH2 ARG 77 11.256 1.670 -9.698 634 HH22 ARG 77 2HH2 ARG 77 11.042 3.072 -8.699 635 H LYS 78 H LYS 78 10.095 -6.521 -5.407 636 HA LYS 78 HA LYS 78 8.483 -7.429 -7.572 637 HB2 LYS 78 1HB LYS 78 9.118 -9.063 -5.079 638 HB3 LYS 78 2HB LYS 78 8.612 -9.653 -6.652 639 HG2 LYS 78 1HG LYS 78 10.918 -8.179 -7.266 640 HG3 LYS 78 2HG LYS 78 11.272 -8.857 -5.676 641 HD2 LYS 78 1HD LYS 78 12.071 -10.554 -7.020 642 HD3 LYS 78 2HD LYS 78 10.418 -11.120 -6.749 643 HE2 LYS 78 1HE LYS 78 10.053 -9.465 -8.916 644 HE3 LYS 78 2HE LYS 78 11.731 -9.942 -9.197 645 HZ1 LYS 78 3HZ LYS 78 9.573 -11.937 -8.726 646 HZ2 LYS 78 1HZ LYS 78 11.051 -12.210 -9.373 647 HZ3 LYS 78 2HZ LYS 78 9.921 -11.389 -10.219 648 H MET 79 H MET 79 7.638 -7.504 -4.109 649 HA MET 79 HA MET 79 4.854 -8.254 -4.677 650 HB2 MET 79 1HB MET 79 6.259 -8.852 -2.580 651 HB3 MET 79 2HB MET 79 5.887 -7.214 -2.027 652 HG2 MET 79 1HG MET 79 3.395 -8.130 -2.773 653 HG3 MET 79 2HG MET 79 4.168 -9.640 -2.316 654 HE1 MET 79 3HE MET 79 5.241 -9.927 0.358 655 HE2 MET 79 1HE MET 79 6.167 -8.452 -0.017 656 HE3 MET 79 2HE MET 79 5.215 -8.545 1.471 657 H LEU 80 H LEU 80 6.572 -5.258 -3.759 658 HA LEU 80 HA LEU 80 4.353 -3.560 -3.367 659 HB2 LEU 80 1HB LEU 80 6.726 -3.004 -2.821 660 HB3 LEU 80 2HB LEU 80 7.073 -2.949 -4.545 661 HG LEU 80 HG LEU 80 4.941 -1.169 -4.328 662 HD11 LEU 80 1HD1 LEU 80 5.262 -1.456 -1.786 663 HD12 LEU 80 2HD1 LEU 80 5.029 0.142 -2.492 664 HD13 LEU 80 3HD1 LEU 80 6.646 -0.381 -2.001 665 HD21 LEU 80 3HD2 LEU 80 6.852 0.592 -4.361 666 HD22 LEU 80 1HD2 LEU 80 6.682 -0.572 -5.709 667 HD23 LEU 80 2HD2 LEU 80 7.915 -0.819 -4.477 668 H ASP 81 H ASP 81 6.089 -4.254 -6.476 669 HA ASP 81 HA ASP 81 4.675 -2.579 -8.210 670 HB2 ASP 81 1HB ASP 81 6.608 -3.858 -8.894 671 HB3 ASP 81 2HB ASP 81 5.778 -5.385 -8.584 672 H THR 82 H THR 82 3.653 -5.778 -6.983 673 HA THR 82 HA THR 82 1.206 -5.858 -8.516 674 HB THR 82 HB THR 82 1.400 -7.390 -5.958 675 HG1 THR 82 HG1 THR 82 2.854 -8.830 -6.786 676 HG21 THR 82 3HG2 THR 82 0.799 -8.118 -8.872 677 HG22 THR 82 1HG2 THR 82 -0.421 -7.761 -7.627 678 HG23 THR 82 2HG2 THR 82 0.605 -9.206 -7.491 679 H ALA 83 H ALA 83 1.896 -5.173 -5.041 680 HA ALA 83 HA ALA 83 -0.751 -4.441 -4.311 681 HB1 ALA 83 3HB ALA 83 1.090 -5.013 -2.747 682 HB2 ALA 83 1HB ALA 83 1.861 -3.457 -3.112 683 HB3 ALA 83 2HB ALA 83 0.259 -3.507 -2.333 684 H ARG 84 H ARG 84 1.729 -2.507 -5.900 685 HA ARG 84 HA ARG 84 0.574 0.121 -5.693 686 HB2 ARG 84 1HB ARG 84 2.439 -1.241 -7.668 687 HB3 ARG 84 2HB ARG 84 1.868 0.393 -7.984 688 HG2 ARG 84 1HG ARG 84 3.104 -0.347 -5.333 689 HG3 ARG 84 2HG ARG 84 4.113 0.037 -6.717 690 HD2 ARG 84 1HD ARG 84 1.848 1.924 -5.962 691 HD3 ARG 84 2HD ARG 84 3.304 1.935 -5.000 692 HE ARG 84 HE ARG 84 2.984 3.090 -7.609 693 HH11 ARG 84 1HH1 ARG 84 5.396 1.489 -5.694 694 HH12 ARG 84 2HH1 ARG 84 6.683 2.459 -6.326 695 HH21 ARG 84 1HH2 ARG 84 4.721 4.185 -8.527 696 HH22 ARG 84 2HH2 ARG 84 6.334 3.786 -8.019 697 H SER 85 H SER 85 0.373 -2.242 -8.342 698 HA SER 85 HA SER 85 -1.534 -0.833 -9.916 699 HB2 SER 85 1HB SER 85 -0.006 -2.898 -10.471 700 HB3 SER 85 2HB SER 85 -1.403 -3.845 -9.928 701 HG SER 85 HG SER 85 -1.308 -1.875 -12.004 702 H LEU 86 H LEU 86 -1.977 -2.714 -7.052 703 HA LEU 86 HA LEU 86 -4.912 -2.862 -7.362 704 HB2 LEU 86 1HB LEU 86 -2.967 -3.867 -5.254 705 HB3 LEU 86 2HB LEU 86 -4.714 -4.072 -5.124 706 HG LEU 86 HG LEU 86 -3.259 -5.063 -7.601 707 HD11 LEU 86 1HD1 LEU 86 -3.656 -6.668 -5.078 708 HD12 LEU 86 2HD1 LEU 86 -2.102 -5.997 -5.615 709 HD13 LEU 86 3HD1 LEU 86 -2.931 -7.212 -6.601 710 HD21 LEU 86 3HD2 LEU 86 -5.747 -5.021 -7.618 711 HD22 LEU 86 1HD2 LEU 86 -5.771 -5.965 -6.114 712 HD23 LEU 86 2HD2 LEU 86 -5.137 -6.687 -7.605 713 H LEU 87 H LEU 87 -2.558 -1.177 -5.245 714 HA LEU 87 HA LEU 87 -4.209 0.162 -3.484 715 HB2 LEU 87 1HB LEU 87 -1.766 0.369 -3.433 716 HB3 LEU 87 2HB LEU 87 -1.761 1.160 -5.011 717 HG LEU 87 HG LEU 87 -3.164 3.036 -3.936 718 HD11 LEU 87 1HD1 LEU 87 -2.039 1.719 -1.437 719 HD12 LEU 87 2HD1 LEU 87 -3.759 1.903 -1.824 720 HD13 LEU 87 3HD1 LEU 87 -2.761 3.336 -1.503 721 HD21 LEU 87 3HD2 LEU 87 -0.382 2.781 -2.962 722 HD22 LEU 87 1HD2 LEU 87 -1.310 4.236 -3.340 723 HD23 LEU 87 2HD2 LEU 87 -0.798 3.163 -4.647 724 H ILE 88 H ILE 88 -3.212 1.454 -6.675 725 HA ILE 88 HA ILE 88 -5.119 3.575 -6.476 726 HB ILE 88 HB ILE 88 -4.477 4.379 -8.498 727 HG12 ILE 88 1HG1 ILE 88 -4.935 2.492 -9.981 728 HG13 ILE 88 2HG1 ILE 88 -3.356 3.207 -10.307 729 HG21 ILE 88 1HG2 ILE 88 -2.610 4.038 -6.721 730 HG22 ILE 88 2HG2 ILE 88 -1.890 2.968 -7.907 731 HG23 ILE 88 3HG2 ILE 88 -2.249 4.662 -8.336 732 HD11 ILE 88 3HD1 ILE 88 -3.742 0.681 -8.693 733 HD12 ILE 88 1HD1 ILE 88 -3.461 0.721 -10.443 734 HD13 ILE 88 2HD1 ILE 88 -2.221 1.343 -9.349 735 H LYS 89 H LYS 89 -5.584 0.361 -7.355 736 HA LYS 89 HA LYS 89 -7.690 0.529 -9.323 737 HB2 LYS 89 1HB LYS 89 -6.247 -1.533 -8.572 738 HB3 LYS 89 2HB LYS 89 -7.435 -1.708 -7.283 739 HG2 LYS 89 1HG LYS 89 -8.264 -3.150 -8.835 740 HG3 LYS 89 2HG LYS 89 -9.221 -1.710 -9.136 741 HD2 LYS 89 1HD LYS 89 -8.619 -2.469 -11.266 742 HD3 LYS 89 2HD LYS 89 -7.469 -1.150 -10.992 743 HE2 LYS 89 1HE LYS 89 -5.672 -2.662 -10.542 744 HE3 LYS 89 2HE LYS 89 -6.774 -4.004 -10.219 745 HZ1 LYS 89 3HZ LYS 89 -7.380 -3.953 -12.605 746 HZ2 LYS 89 1HZ LYS 89 -5.807 -4.311 -12.375 747 HZ3 LYS 89 2HZ LYS 89 -6.234 -2.818 -12.884 748 H GLU 90 H GLU 90 -7.762 0.234 -5.794 749 HA GLU 90 HA GLU 90 -10.697 0.203 -5.667 750 HB2 GLU 90 1HB GLU 90 -8.871 0.734 -3.320 751 HB3 GLU 90 2HB GLU 90 -10.471 0.033 -3.352 752 HG2 GLU 90 1HG GLU 90 -9.613 -2.001 -3.421 753 HG3 GLU 90 2HG GLU 90 -8.984 -1.699 -4.998 754 H LEU 91 H LEU 91 -8.107 2.384 -4.688 755 HA LEU 91 HA LEU 91 -9.629 4.634 -3.905 756 HB2 LEU 91 1HB LEU 91 -6.764 4.413 -4.937 757 HB3 LEU 91 2HB LEU 91 -7.436 5.794 -4.035 758 HG LEU 91 HG LEU 91 -7.207 2.958 -2.930 759 HD11 LEU 91 1HD1 LEU 91 -5.012 3.712 -3.158 760 HD12 LEU 91 2HD1 LEU 91 -5.414 3.983 -1.469 761 HD13 LEU 91 3HD1 LEU 91 -5.373 5.346 -2.616 762 HD21 LEU 91 3HD2 LEU 91 -7.387 5.116 -0.988 763 HD22 LEU 91 1HD2 LEU 91 -8.343 3.620 -1.203 764 HD23 LEU 91 2HD2 LEU 91 -8.782 5.092 -2.046 765 H SER 92 H SER 92 -8.821 3.554 -7.053 766 HA SER 92 HA SER 92 -8.912 5.604 -8.791 767 HB2 SER 92 1HB SER 92 -8.820 3.293 -9.534 768 HB3 SER 92 2HB SER 92 -10.463 3.005 -8.941 769 HG SER 92 HG SER 92 -10.582 3.321 -11.119 770 H LEU 93 H LEU 93 -11.715 4.429 -7.025 771 HA LEU 93 HA LEU 93 -13.751 5.836 -8.336 772 HB2 LEU 93 1HB LEU 93 -13.608 4.044 -6.249 773 HB3 LEU 93 2HB LEU 93 -13.993 5.501 -5.363 774 HG LEU 93 HG LEU 93 -16.024 4.399 -5.841 775 HD11 LEU 93 1HD1 LEU 93 -15.912 6.570 -7.961 776 HD12 LEU 93 2HD1 LEU 93 -16.063 6.874 -6.215 777 HD13 LEU 93 3HD1 LEU 93 -17.327 5.976 -7.076 778 HD21 LEU 93 3HD2 LEU 93 -15.317 4.326 -8.806 779 HD22 LEU 93 1HD2 LEU 93 -16.759 3.651 -8.023 780 HD23 LEU 93 2HD2 LEU 93 -15.166 2.955 -7.688 781 H ALA 94 H ALA 94 -12.082 6.871 -5.356 782 HA ALA 94 HA ALA 94 -13.233 9.567 -5.451 783 HB1 ALA 94 3HB ALA 94 -11.942 9.941 -3.435 784 HB2 ALA 94 1HB ALA 94 -12.683 8.326 -3.338 785 HB3 ALA 94 2HB ALA 94 -10.963 8.510 -3.763 786 H LYS 95 H LYS 95 -10.255 8.089 -6.585 787 HA LYS 95 HA LYS 95 -8.515 10.261 -6.888 788 HB2 LYS 95 1HB LYS 95 -7.287 8.725 -7.846 789 HB3 LYS 95 2HB LYS 95 -8.659 7.620 -7.828 790 HG2 LYS 95 1HG LYS 95 -9.288 8.423 -10.103 791 HG3 LYS 95 2HG LYS 95 -7.820 9.413 -10.109 792 HD2 LYS 95 1HD LYS 95 -6.568 7.661 -10.767 793 HD3 LYS 95 2HD LYS 95 -7.172 6.631 -9.480 794 HE2 LYS 95 1HE LYS 95 -9.236 6.193 -10.807 795 HE3 LYS 95 2HE LYS 95 -8.596 7.164 -12.123 796 HZ1 LYS 95 3HZ LYS 95 -7.201 4.755 -11.079 797 HZ2 LYS 95 1HZ LYS 95 -6.853 5.585 -12.458 798 HZ3 LYS 95 2HZ LYS 95 -8.235 4.723 -12.337 799 H ASP 96 H ASP 96 -11.164 9.353 -8.991 800 HA ASP 96 HA ASP 96 -12.195 10.298 -10.782 801 HB2 ASP 96 1HB ASP 96 -12.992 11.494 -8.711 802 HB3 ASP 96 2HB ASP 96 -11.936 12.833 -9.148 803 H CYS 97 H CYS 97 -9.383 10.141 -11.176 804 HA CYS 97 HA CYS 97 -8.788 11.995 -13.336 805 HB2 CYS 97 1HB CYS 97 -8.222 12.869 -10.742 806 HB3 CYS 97 2HB CYS 97 -6.683 12.166 -11.225 807 HG CYS 97 HG CYS 97 -6.111 13.735 -13.075 808 H SER 98 H SER 98 -6.025 11.611 -13.474 809 HA SER 98 HA SER 98 -5.684 8.912 -14.462 810 HB2 SER 98 1HB SER 98 -3.766 11.197 -13.860 811 HB3 SER 98 2HB SER 98 -3.248 9.666 -14.591 812 HG SER 98 HG SER 98 -3.764 11.294 -16.160 813 H GLU 99 H GLU 99 -4.009 7.350 -13.706 814 HA GLU 99 HA GLU 99 -4.261 6.586 -10.976 815 HB2 GLU 99 1HB GLU 99 -2.111 5.885 -13.008 816 HB3 GLU 99 2HB GLU 99 -2.225 5.160 -11.391 817 HG2 GLU 99 1HG GLU 99 -4.549 4.428 -11.905 818 HG3 GLU 99 2HG GLU 99 -4.374 5.036 -13.555 819 H ASP 100 H ASP 100 -1.993 8.792 -12.416 820 HA ASP 100 HA ASP 100 0.020 9.072 -10.485 821 HB2 ASP 100 1HB ASP 100 -1.294 10.903 -12.485 822 HB3 ASP 100 2HB ASP 100 -0.361 11.662 -11.210 823 H GLU 101 H GLU 101 -3.400 10.142 -10.189 824 HA GLU 101 HA GLU 101 -3.077 12.007 -8.114 825 HB2 GLU 101 1HB GLU 101 -5.199 10.986 -9.543 826 HB3 GLU 101 2HB GLU 101 -5.442 10.168 -8.012 827 HG2 GLU 101 1HG GLU 101 -6.691 12.212 -8.117 828 HG3 GLU 101 2HG GLU 101 -5.469 12.338 -6.848 829 H ILE 102 H ILE 102 -3.643 8.485 -7.843 830 HA ILE 102 HA ILE 102 -3.105 8.463 -4.948 831 HB ILE 102 HB ILE 102 -3.654 6.247 -6.898 832 HG12 ILE 102 1HG1 ILE 102 -5.636 6.806 -4.778 833 HG13 ILE 102 2HG1 ILE 102 -5.445 8.194 -5.816 834 HG21 ILE 102 1HG2 ILE 102 -3.476 6.211 -3.846 835 HG22 ILE 102 2HG2 ILE 102 -4.087 4.886 -4.867 836 HG23 ILE 102 3HG2 ILE 102 -2.398 5.384 -4.973 837 HD11 ILE 102 3HD1 ILE 102 -5.828 6.874 -7.802 838 HD12 ILE 102 1HD1 ILE 102 -5.971 5.388 -6.855 839 HD13 ILE 102 2HD1 ILE 102 -7.163 6.654 -6.632 840 H GLU 103 H GLU 103 -1.467 7.270 -7.934 841 HA GLU 103 HA GLU 103 0.666 5.913 -6.693 842 HB2 GLU 103 1HB GLU 103 0.191 7.165 -9.368 843 HB3 GLU 103 2HB GLU 103 1.871 6.955 -8.933 844 HG2 GLU 103 1HG GLU 103 1.495 4.562 -8.469 845 HG3 GLU 103 2HG GLU 103 -0.195 4.735 -8.924 846 H SER 104 H SER 104 0.434 9.382 -7.626 847 HA SER 104 HA SER 104 3.044 10.057 -6.501 848 HB2 SER 104 1HB SER 104 0.803 11.971 -7.258 849 HB3 SER 104 2HB SER 104 2.497 12.352 -6.968 850 HG SER 104 HG SER 104 1.349 10.936 -9.105 851 H ASP 105 H ASP 105 -0.336 10.192 -5.262 852 HA ASP 105 HA ASP 105 0.260 11.795 -2.977 853 HB2 ASP 105 1HB ASP 105 -1.890 9.818 -3.657 854 HB3 ASP 105 2HB ASP 105 -1.627 10.173 -1.968 855 H LEU 106 H LEU 106 1.194 8.491 -3.629 856 HA LEU 106 HA LEU 106 1.749 7.621 -0.982 857 HB2 LEU 106 1HB LEU 106 3.366 7.121 -3.528 858 HB3 LEU 106 2HB LEU 106 3.517 6.209 -2.042 859 HG LEU 106 HG LEU 106 1.046 6.311 -3.801 860 HD11 LEU 106 1HD1 LEU 106 3.016 4.059 -3.310 861 HD12 LEU 106 2HD1 LEU 106 2.944 5.069 -4.766 862 HD13 LEU 106 3HD1 LEU 106 1.581 4.018 -4.368 863 HD21 LEU 106 3HD2 LEU 106 1.263 5.603 -1.009 864 HD22 LEU 106 1HD2 LEU 106 0.981 4.142 -1.923 865 HD23 LEU 106 2HD2 LEU 106 -0.129 5.530 -2.064 866 H LYS 107 H LYS 107 3.548 9.838 -3.047 867 HA LYS 107 HA LYS 107 5.889 9.987 -1.405 868 HB2 LYS 107 1HB LYS 107 6.666 11.539 -2.904 869 HB3 LYS 107 2HB LYS 107 5.416 10.780 -3.878 870 HG2 LYS 107 1HG LYS 107 3.867 12.666 -3.052 871 HG3 LYS 107 2HG LYS 107 5.310 13.470 -2.457 872 HD2 LYS 107 1HD LYS 107 6.013 14.068 -4.551 873 HD3 LYS 107 2HD LYS 107 5.525 12.527 -5.283 874 HE2 LYS 107 1HE LYS 107 3.162 13.187 -5.161 875 HE3 LYS 107 2HE LYS 107 3.615 14.755 -4.482 876 HZ1 LYS 107 3HZ LYS 107 4.851 15.209 -6.547 877 HZ2 LYS 107 1HZ LYS 107 3.283 14.923 -6.886 878 HZ3 LYS 107 2HZ LYS 107 4.405 13.773 -7.183 879 H LYS 108 H LYS 108 2.802 11.540 -1.127 880 HA LYS 108 HA LYS 108 3.645 13.391 1.044 881 HB2 LYS 108 1HB LYS 108 1.015 12.847 -0.407 882 HB3 LYS 108 2HB LYS 108 1.004 13.572 1.185 883 HG2 LYS 108 1HG LYS 108 1.085 15.490 0.056 884 HG3 LYS 108 2HG LYS 108 2.812 15.228 0.158 885 HD2 LYS 108 1HD LYS 108 2.908 15.425 -2.090 886 HD3 LYS 108 2HD LYS 108 2.061 13.887 -2.217 887 HE2 LYS 108 1HE LYS 108 0.799 15.401 -3.530 888 HE3 LYS 108 2HE LYS 108 -0.134 15.160 -2.054 889 HZ1 LYS 108 3HZ LYS 108 1.648 17.494 -2.572 890 HZ2 LYS 108 1HZ LYS 108 0.720 17.297 -1.242 891 HZ3 LYS 108 2HZ LYS 108 0.023 17.519 -2.697 892 H ILE 109 H ILE 109 2.043 10.267 0.709 893 HA ILE 109 HA ILE 109 1.296 10.086 3.510 894 HB ILE 109 HB ILE 109 1.561 7.867 1.480 895 HG12 ILE 109 1HG1 ILE 109 -1.134 9.027 2.244 896 HG13 ILE 109 2HG1 ILE 109 -0.210 9.901 1.059 897 HG21 ILE 109 1HG2 ILE 109 0.845 7.952 4.321 898 HG22 ILE 109 2HG2 ILE 109 -0.456 7.257 3.384 899 HG23 ILE 109 3HG2 ILE 109 1.173 6.578 3.266 900 HD11 ILE 109 3HD1 ILE 109 -0.360 6.977 0.496 901 HD12 ILE 109 1HD1 ILE 109 -1.899 7.855 0.428 902 HD13 ILE 109 2HD1 ILE 109 -0.550 8.349 -0.585 903 H PHE 110 H PHE 110 3.745 8.158 1.639 904 HA PHE 110 HA PHE 110 4.998 7.203 4.090 905 HB2 PHE 110 1HB PHE 110 5.931 6.890 1.245 906 HB3 PHE 110 2HB PHE 110 6.348 5.866 2.592 907 HD1 PHE 110 HD1 PHE 110 3.428 5.448 3.679 908 HD2 PHE 110 HD2 PHE 110 5.158 5.332 -0.277 909 HE1 PHE 110 HE1 PHE 110 1.526 4.091 2.831 910 HE2 PHE 110 HE2 PHE 110 3.308 3.907 -1.046 911 HZ PHE 110 HZ PHE 110 1.451 3.339 0.504 912 H ASN 111 H ASN 111 5.267 10.094 2.574 913 HA ASN 111 HA ASN 111 6.681 11.829 2.438 914 HB2 ASN 111 1HB ASN 111 6.567 11.359 4.949 915 HB3 ASN 111 2HB ASN 111 8.204 10.700 4.784 916 HD21 ASN 111 2HD2 ASN 111 6.248 13.659 4.084 917 HD22 ASN 111 1HD2 ASN 111 7.611 14.735 4.358 918 H LEU 112 H LEU 112 7.186 10.371 0.490 919 HA LEU 112 HA LEU 112 10.013 9.481 0.253 920 HB2 LEU 112 1HB LEU 112 7.864 9.505 -1.889 921 HB3 LEU 112 2HB LEU 112 9.349 8.605 -1.907 922 HG LEU 112 HG LEU 112 7.257 8.091 0.204 923 HD11 LEU 112 1HD1 LEU 112 6.788 6.069 -1.478 924 HD12 LEU 112 2HD1 LEU 112 7.251 7.284 -2.675 925 HD13 LEU 112 3HD1 LEU 112 5.915 7.590 -1.551 926 HD21 LEU 112 3HD2 LEU 112 9.581 7.150 0.509 927 HD22 LEU 112 1HD2 LEU 112 9.310 6.205 -0.974 928 HD23 LEU 112 2HD2 LEU 112 8.275 5.956 0.449 929 H ALA 113 H ALA 113 7.930 12.022 -0.935 930 HA ALA 113 HA ALA 113 8.065 13.624 -2.526 931 HB1 ALA 113 3HB ALA 113 8.904 15.297 -1.355 932 HB2 ALA 113 1HB ALA 113 9.794 14.166 -0.327 933 HB3 ALA 113 2HB ALA 113 10.564 14.843 -1.763 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -20.468 -9.489 14.120 2 H2 GLY 1 2H GLY 1 -21.652 -10.475 14.683 3 H3 GLY 1 3H GLY 1 -20.564 -9.819 15.720 4 HA2 GLY 1 1HA GLY 1 -19.891 -12.045 15.462 5 HA3 GLY 1 2HA GLY 1 -20.103 -11.909 13.707 6 H SER 2 H SER 2 -17.842 -12.896 14.141 7 HA SER 2 HA SER 2 -15.817 -10.740 13.697 8 HB2 SER 2 1HB SER 2 -15.596 -13.070 15.617 9 HB3 SER 2 2HB SER 2 -14.169 -12.313 14.885 10 HG SER 2 HG SER 2 -14.601 -11.295 16.831 11 H HIS 3 H HIS 3 -15.995 -11.070 11.498 12 HA HIS 3 HA HIS 3 -15.557 -13.665 10.213 13 HB2 HIS 3 1HB HIS 3 -15.552 -10.784 9.211 14 HB3 HIS 3 2HB HIS 3 -15.107 -12.128 8.174 15 HD1 HIS 3 HD1 HIS 3 -17.040 -13.548 7.127 16 HD2 HIS 3 HD2 HIS 3 -18.211 -10.860 10.178 17 HE1 HIS 3 HE1 HIS 3 -19.616 -13.560 7.164 18 HE2 HIS 3 HE2 HIS 3 -20.323 -11.925 9.021 19 H MET 4 H MET 4 -13.716 -14.323 9.076 20 HA MET 4 HA MET 4 -11.100 -13.097 9.860 21 HB2 MET 4 1HB MET 4 -10.136 -15.351 9.942 22 HB3 MET 4 2HB MET 4 -11.371 -15.098 11.167 23 HG2 MET 4 1HG MET 4 -12.982 -16.413 9.962 24 HG3 MET 4 2HG MET 4 -11.945 -16.522 8.536 25 HE1 MET 4 3HE MET 4 -10.313 -18.653 8.135 26 HE2 MET 4 1HE MET 4 -9.374 -17.344 8.885 27 HE3 MET 4 2HE MET 4 -9.194 -19.013 9.466 28 H GLY 5 H GLY 5 -9.331 -13.523 8.406 29 HA2 GLY 5 1HA GLY 5 -8.356 -14.007 6.304 30 HA3 GLY 5 2HA GLY 5 -9.948 -14.244 5.588 31 H SER 6 H SER 6 -11.339 -12.155 5.633 32 HA SER 6 HA SER 6 -9.728 -9.755 4.839 33 HB2 SER 6 1HB SER 6 -11.810 -9.208 3.420 34 HB3 SER 6 2HB SER 6 -10.676 -10.418 2.824 35 HG SER 6 HG SER 6 -12.079 -12.017 3.294 36 H VAL 7 H VAL 7 -10.735 -7.714 5.144 37 HA VAL 7 HA VAL 7 -11.798 -7.196 7.728 38 HB VAL 7 HB VAL 7 -10.509 -5.569 6.570 39 HG11 VAL 7 1HG1 VAL 7 -11.698 -4.320 4.573 40 HG12 VAL 7 2HG1 VAL 7 -10.769 -5.793 4.332 41 HG13 VAL 7 3HG1 VAL 7 -12.547 -5.841 4.367 42 HG21 VAL 7 3HG2 VAL 7 -13.259 -4.307 6.676 43 HG22 VAL 7 1HG2 VAL 7 -12.279 -4.679 8.117 44 HG23 VAL 7 2HG2 VAL 7 -11.674 -3.546 6.900 45 H GLY 8 H GLY 8 -13.510 -8.110 4.883 46 HA2 GLY 8 1HA GLY 8 -15.881 -8.889 5.528 47 HA3 GLY 8 2HA GLY 8 -16.165 -7.201 5.946 48 H LEU 9 H LEU 9 -14.231 -6.761 3.403 49 HA LEU 9 HA LEU 9 -16.263 -7.153 1.270 50 HB2 LEU 9 1HB LEU 9 -15.622 -4.938 0.386 51 HB3 LEU 9 2HB LEU 9 -16.448 -4.862 1.917 52 HG LEU 9 HG LEU 9 -13.464 -4.907 2.174 53 HD11 LEU 9 1HD1 LEU 9 -13.523 -3.543 0.206 54 HD12 LEU 9 2HD1 LEU 9 -13.372 -2.448 1.599 55 HD13 LEU 9 3HD1 LEU 9 -14.942 -2.648 0.799 56 HD21 LEU 9 3HD2 LEU 9 -15.599 -3.082 3.279 57 HD22 LEU 9 1HD2 LEU 9 -13.890 -3.158 3.776 58 HD23 LEU 9 2HD2 LEU 9 -14.958 -4.537 4.078 59 H ARG 10 H ARG 10 -15.175 -6.495 -0.826 60 HA ARG 10 HA ARG 10 -12.946 -8.460 -1.286 61 HB2 ARG 10 1HB ARG 10 -15.081 -7.250 -3.085 62 HB3 ARG 10 2HB ARG 10 -13.670 -8.045 -3.766 63 HG2 ARG 10 1HG ARG 10 -15.612 -9.405 -1.848 64 HG3 ARG 10 2HG ARG 10 -15.677 -9.481 -3.612 65 HD2 ARG 10 1HD ARG 10 -13.118 -10.242 -3.327 66 HD3 ARG 10 2HD ARG 10 -13.699 -10.730 -1.725 67 HE ARG 10 HE ARG 10 -15.413 -11.634 -3.918 68 HH11 ARG 10 1HH1 ARG 10 -12.533 -12.552 -2.165 69 HH12 ARG 10 2HH1 ARG 10 -12.627 -14.208 -2.702 70 HH21 ARG 10 1HH2 ARG 10 -15.468 -13.728 -4.590 71 HH22 ARG 10 2HH2 ARG 10 -14.255 -14.847 -4.048 72 H GLU 11 H GLU 11 -13.822 -5.375 -2.759 73 HA GLU 11 HA GLU 11 -11.251 -4.101 -2.442 74 HB2 GLU 11 1HB GLU 11 -11.430 -6.054 -4.514 75 HB3 GLU 11 2HB GLU 11 -11.480 -4.513 -5.338 76 HG2 GLU 11 1HG GLU 11 -9.345 -3.923 -4.731 77 HG3 GLU 11 2HG GLU 11 -9.359 -4.824 -3.224 78 H ILE 12 H ILE 12 -14.211 -4.296 -4.503 79 HA ILE 12 HA ILE 12 -14.187 -1.570 -5.273 80 HB ILE 12 HB ILE 12 -15.649 -3.648 -6.059 81 HG12 ILE 12 1HG1 ILE 12 -15.478 -1.776 -7.429 82 HG13 ILE 12 2HG1 ILE 12 -17.191 -2.089 -7.226 83 HG21 ILE 12 1HG2 ILE 12 -17.039 -3.827 -4.021 84 HG22 ILE 12 2HG2 ILE 12 -17.704 -2.211 -4.339 85 HG23 ILE 12 3HG2 ILE 12 -17.992 -3.529 -5.482 86 HD11 ILE 12 3HD1 ILE 12 -16.926 0.274 -7.162 87 HD12 ILE 12 1HD1 ILE 12 -17.195 -0.188 -5.470 88 HD13 ILE 12 2HD1 ILE 12 -15.554 0.185 -6.060 89 H ILE 13 H ILE 13 -14.674 0.245 -4.269 90 HA ILE 13 HA ILE 13 -16.333 0.361 -1.838 91 HB ILE 13 HB ILE 13 -14.597 1.775 -0.755 92 HG12 ILE 13 1HG1 ILE 13 -12.173 1.115 -1.403 93 HG13 ILE 13 2HG1 ILE 13 -12.791 0.794 -3.004 94 HG21 ILE 13 1HG2 ILE 13 -13.665 -1.053 -1.155 95 HG22 ILE 13 2HG2 ILE 13 -13.431 0.002 0.255 96 HG23 ILE 13 3HG2 ILE 13 -15.050 -0.566 -0.145 97 HD11 ILE 13 3HD1 ILE 13 -11.810 3.026 -2.803 98 HD12 ILE 13 1HD1 ILE 13 -13.539 3.191 -3.135 99 HD13 ILE 13 2HD1 ILE 13 -12.912 3.422 -1.475 100 H SER 14 H SER 14 -16.390 2.728 -1.098 101 HA SER 14 HA SER 14 -16.895 4.566 -3.410 102 HB2 SER 14 1HB SER 14 -18.205 4.589 -0.672 103 HB3 SER 14 2HB SER 14 -18.607 5.608 -2.068 104 HG SER 14 HG SER 14 -19.521 3.157 -1.446 105 H GLU 15 H GLU 15 -16.740 6.919 -2.705 106 HA GLU 15 HA GLU 15 -14.163 7.663 -1.971 107 HB2 GLU 15 1HB GLU 15 -16.109 8.997 -3.054 108 HB3 GLU 15 2HB GLU 15 -16.603 9.363 -1.400 109 HG2 GLU 15 1HG GLU 15 -13.998 10.113 -1.225 110 HG3 GLU 15 2HG GLU 15 -14.188 10.240 -2.968 111 H GLU 16 H GLU 16 -16.824 7.016 0.222 112 HA GLU 16 HA GLU 16 -15.887 8.129 2.671 113 HB2 GLU 16 1HB GLU 16 -17.577 5.735 1.909 114 HB3 GLU 16 2HB GLU 16 -17.129 5.947 3.594 115 HG2 GLU 16 1HG GLU 16 -18.400 8.235 2.061 116 HG3 GLU 16 2HG GLU 16 -19.375 6.919 2.709 117 H ASP 17 H ASP 17 -15.245 4.846 1.364 118 HA ASP 17 HA ASP 17 -13.466 4.066 3.498 119 HB2 ASP 17 1HB ASP 17 -13.953 3.040 0.712 120 HB3 ASP 17 2HB ASP 17 -12.869 2.253 1.842 121 H VAL 18 H VAL 18 -13.023 5.680 0.366 122 HA VAL 18 HA VAL 18 -10.166 5.498 0.215 123 HB VAL 18 HB VAL 18 -11.884 7.747 -0.878 124 HG11 VAL 18 1HG1 VAL 18 -9.591 7.196 -2.514 125 HG12 VAL 18 2HG1 VAL 18 -10.037 8.674 -1.654 126 HG13 VAL 18 3HG1 VAL 18 -9.026 7.457 -0.867 127 HG21 VAL 18 3HG2 VAL 18 -11.546 6.277 -3.035 128 HG22 VAL 18 1HG2 VAL 18 -11.190 4.993 -1.880 129 HG23 VAL 18 2HG2 VAL 18 -12.759 5.803 -1.851 130 H LYS 19 H LYS 19 -12.299 7.917 1.792 131 HA LYS 19 HA LYS 19 -10.110 9.499 2.883 132 HB2 LYS 19 1HB LYS 19 -12.991 9.191 3.828 133 HB3 LYS 19 2HB LYS 19 -11.875 10.420 4.402 134 HG2 LYS 19 1HG LYS 19 -12.845 10.110 1.520 135 HG3 LYS 19 2HG LYS 19 -13.458 11.268 2.683 136 HD2 LYS 19 1HD LYS 19 -10.611 11.211 1.565 137 HD3 LYS 19 2HD LYS 19 -11.924 12.275 1.054 138 HE2 LYS 19 1HE LYS 19 -12.102 13.114 3.426 139 HE3 LYS 19 2HE LYS 19 -10.651 12.176 3.820 140 HZ1 LYS 19 3HZ LYS 19 -10.238 14.562 3.228 141 HZ2 LYS 19 1HZ LYS 19 -10.718 14.260 1.700 142 HZ3 LYS 19 2HZ LYS 19 -9.386 13.522 2.299 143 H GLN 20 H GLN 20 -11.602 6.538 4.025 144 HA GLN 20 HA GLN 20 -10.330 6.669 6.668 145 HB2 GLN 20 1HB GLN 20 -12.408 5.547 6.516 146 HB3 GLN 20 2HB GLN 20 -11.847 4.451 5.252 147 HG2 GLN 20 1HG GLN 20 -10.379 3.281 6.745 148 HG3 GLN 20 2HG GLN 20 -10.491 4.547 7.976 149 HE21 GLN 20 2HE2 GLN 20 -10.897 1.842 8.667 150 HE22 GLN 20 1HE2 GLN 20 -12.596 1.698 9.106 151 H VAL 21 H VAL 21 -9.744 4.583 3.775 152 HA VAL 21 HA VAL 21 -7.433 3.288 4.783 153 HB VAL 21 HB VAL 21 -8.661 2.513 2.847 154 HG11 VAL 21 1HG1 VAL 21 -8.764 4.935 1.845 155 HG12 VAL 21 2HG1 VAL 21 -7.311 4.413 0.993 156 HG13 VAL 21 3HG1 VAL 21 -8.848 3.482 0.877 157 HG21 VAL 21 3HG2 VAL 21 -5.765 3.056 2.116 158 HG22 VAL 21 1HG2 VAL 21 -6.327 1.744 3.172 159 HG23 VAL 21 2HG2 VAL 21 -6.819 1.787 1.464 160 H TYR 22 H TYR 22 -7.640 6.439 3.092 161 HA TYR 22 HA TYR 22 -4.864 6.943 2.961 162 HB2 TYR 22 1HB TYR 22 -7.309 8.619 2.887 163 HB3 TYR 22 2HB TYR 22 -5.824 9.424 3.359 164 HD1 TYR 22 HD1 TYR 22 -7.171 7.157 0.686 165 HD2 TYR 22 HD2 TYR 22 -4.185 10.051 1.800 166 HE1 TYR 22 HE1 TYR 22 -6.520 7.384 -1.700 167 HE2 TYR 22 HE2 TYR 22 -3.468 10.208 -0.581 168 HH TYR 22 HH TYR 22 -5.190 8.467 -3.193 169 H SER 23 H SER 23 -6.993 7.099 5.761 170 HA SER 23 HA SER 23 -5.057 8.496 7.467 171 HB2 SER 23 1HB SER 23 -7.537 8.700 7.684 172 HB3 SER 23 2HB SER 23 -7.587 7.021 8.258 173 HG SER 23 HG SER 23 -7.466 8.597 9.963 174 H ILE 24 H ILE 24 -5.862 5.157 6.682 175 HA ILE 24 HA ILE 24 -4.593 3.885 8.948 176 HB ILE 24 HB ILE 24 -5.020 2.706 6.172 177 HG12 ILE 24 1HG1 ILE 24 -6.813 2.547 8.645 178 HG13 ILE 24 2HG1 ILE 24 -7.150 3.489 7.196 179 HG21 ILE 24 1HG2 ILE 24 -4.886 0.540 7.396 180 HG22 ILE 24 2HG2 ILE 24 -3.387 1.443 7.518 181 HG23 ILE 24 3HG2 ILE 24 -4.510 1.408 8.892 182 HD11 ILE 24 3HD1 ILE 24 -8.428 1.557 6.910 183 HD12 ILE 24 1HD1 ILE 24 -7.000 1.286 5.880 184 HD13 ILE 24 2HD1 ILE 24 -7.135 0.480 7.455 185 H LEU 25 H LEU 25 -3.387 4.434 5.568 186 HA LEU 25 HA LEU 25 -0.694 3.692 6.424 187 HB2 LEU 25 1HB LEU 25 -0.241 4.536 3.991 188 HB3 LEU 25 2HB LEU 25 -0.812 2.937 4.330 189 HG LEU 25 HG LEU 25 -3.080 3.566 3.621 190 HD11 LEU 25 1HD1 LEU 25 -3.190 5.829 2.353 191 HD12 LEU 25 2HD1 LEU 25 -1.799 6.299 3.326 192 HD13 LEU 25 3HD1 LEU 25 -3.280 5.853 4.131 193 HD21 LEU 25 3HD2 LEU 25 -2.579 3.864 1.252 194 HD22 LEU 25 1HD2 LEU 25 -1.427 2.733 1.979 195 HD23 LEU 25 2HD2 LEU 25 -0.928 4.399 1.633 196 H LYS 26 H LYS 26 -2.355 6.601 6.642 197 HA LYS 26 HA LYS 26 -0.372 8.528 6.102 198 HB2 LYS 26 1HB LYS 26 -2.958 8.556 7.144 199 HB3 LYS 26 2HB LYS 26 -2.034 9.033 8.534 200 HG2 LYS 26 1HG LYS 26 -2.720 11.023 7.386 201 HG3 LYS 26 2HG LYS 26 -0.981 10.836 7.169 202 HD2 LYS 26 1HD LYS 26 -1.678 9.665 4.867 203 HD3 LYS 26 2HD LYS 26 -3.243 10.386 5.163 204 HE2 LYS 26 1HE LYS 26 -1.796 11.671 3.638 205 HE3 LYS 26 2HE LYS 26 -2.354 12.615 5.029 206 HZ1 LYS 26 3HZ LYS 26 0.090 12.870 4.470 207 HZ2 LYS 26 1HZ LYS 26 0.336 11.337 4.953 208 HZ3 LYS 26 2HZ LYS 26 -0.199 12.456 6.013 209 H GLU 27 H GLU 27 -0.461 6.354 8.770 210 HA GLU 27 HA GLU 27 1.378 7.839 10.470 211 HB2 GLU 27 1HB GLU 27 -0.357 6.211 11.252 212 HB3 GLU 27 2HB GLU 27 0.606 4.891 10.582 213 HG2 GLU 27 1HG GLU 27 2.235 5.065 12.234 214 HG3 GLU 27 2HG GLU 27 2.024 6.801 12.418 215 H LYS 28 H LYS 28 3.524 7.523 10.837 216 HA LYS 28 HA LYS 28 5.073 5.962 8.827 217 HB2 LYS 28 1HB LYS 28 5.779 8.454 10.375 218 HB3 LYS 28 2HB LYS 28 6.912 7.554 9.374 219 HG2 LYS 28 1HG LYS 28 4.293 8.728 8.329 220 HG3 LYS 28 2HG LYS 28 5.832 9.566 8.267 221 HD2 LYS 28 1HD LYS 28 5.100 6.976 6.833 222 HD3 LYS 28 2HD LYS 28 5.343 8.558 6.125 223 HE2 LYS 28 1HE LYS 28 7.493 6.820 7.425 224 HE3 LYS 28 2HE LYS 28 7.268 7.115 5.701 225 HZ1 LYS 28 3HZ LYS 28 8.907 8.625 6.284 226 HZ2 LYS 28 1HZ LYS 28 8.266 8.997 7.742 227 HZ3 LYS 28 2HZ LYS 28 7.579 9.572 6.373 228 H ASP 29 H ASP 29 4.204 5.644 11.974 229 HA ASP 29 HA ASP 29 6.768 4.522 12.928 230 HB2 ASP 29 1HB ASP 29 4.930 6.044 14.180 231 HB3 ASP 29 2HB ASP 29 4.285 4.465 14.606 232 H ILE 30 H ILE 30 4.518 3.312 10.989 233 HA ILE 30 HA ILE 30 3.891 0.744 12.154 234 HB ILE 30 HB ILE 30 2.841 0.215 10.063 235 HG12 ILE 30 1HG1 ILE 30 2.869 2.169 8.285 236 HG13 ILE 30 2HG1 ILE 30 4.407 2.582 9.013 237 HG21 ILE 30 1HG2 ILE 30 1.565 1.613 11.555 238 HG22 ILE 30 2HG2 ILE 30 2.287 3.089 10.876 239 HG23 ILE 30 3HG2 ILE 30 1.238 2.084 9.880 240 HD11 ILE 30 3HD1 ILE 30 3.964 -0.305 8.236 241 HD12 ILE 30 1HD1 ILE 30 4.135 0.844 6.932 242 HD13 ILE 30 2HD1 ILE 30 5.440 0.678 8.096 243 H SER 31 H SER 31 6.697 1.865 10.603 244 HA SER 31 HA SER 31 7.650 -0.094 8.927 245 HB2 SER 31 1HB SER 31 8.823 2.012 9.357 246 HB3 SER 31 2HB SER 31 9.252 1.456 10.986 247 HG SER 31 HG SER 31 10.992 0.913 9.803 248 H VAL 32 H VAL 32 7.898 -2.230 9.092 249 HA VAL 32 HA VAL 32 8.159 -3.541 11.719 250 HB VAL 32 HB VAL 32 7.810 -4.729 8.942 251 HG11 VAL 32 1HG1 VAL 32 7.085 -6.611 10.894 252 HG12 VAL 32 2HG1 VAL 32 8.605 -6.620 9.959 253 HG13 VAL 32 3HG1 VAL 32 8.511 -5.925 11.591 254 HG21 VAL 32 3HG2 VAL 32 5.852 -4.647 11.275 255 HG22 VAL 32 1HG2 VAL 32 5.853 -3.444 9.986 256 HG23 VAL 32 2HG2 VAL 32 5.566 -5.129 9.582 257 H ASP 33 H ASP 33 9.974 -4.398 12.553 258 HA ASP 33 HA ASP 33 12.616 -3.857 11.672 259 HB2 ASP 33 1HB ASP 33 11.406 -5.885 13.574 260 HB3 ASP 33 2HB ASP 33 13.137 -5.857 13.272 261 H SER 34 H SER 34 14.236 -5.065 10.670 262 HA SER 34 HA SER 34 13.590 -6.523 8.441 263 HB2 SER 34 1HB SER 34 16.245 -6.835 9.854 264 HB3 SER 34 2HB SER 34 15.900 -6.884 8.115 265 HG SER 34 HG SER 34 16.801 -4.869 8.812 266 H THR 35 H THR 35 14.479 -7.896 11.604 267 HA THR 35 HA THR 35 14.682 -10.647 10.898 268 HB THR 35 HB THR 35 13.704 -9.401 13.501 269 HG1 THR 35 HG1 THR 35 15.873 -9.557 14.071 270 HG21 THR 35 3HG2 THR 35 13.245 -11.799 13.538 271 HG22 THR 35 1HG2 THR 35 14.666 -11.476 14.537 272 HG23 THR 35 2HG2 THR 35 14.871 -12.160 12.909 273 H THR 36 H THR 36 11.851 -8.735 11.919 274 HA THR 36 HA THR 36 9.952 -10.942 11.579 275 HB THR 36 HB THR 36 9.479 -7.969 12.011 276 HG1 THR 36 HG1 THR 36 9.365 -8.518 14.160 277 HG21 THR 36 3HG2 THR 36 7.425 -9.055 11.281 278 HG22 THR 36 1HG2 THR 36 7.317 -8.781 13.022 279 HG23 THR 36 2HG2 THR 36 7.683 -10.408 12.403 280 H TRP 37 H TRP 37 11.126 -8.238 9.625 281 HA TRP 37 HA TRP 37 9.150 -8.005 7.739 282 HB2 TRP 37 1HB TRP 37 11.003 -6.485 7.838 283 HB3 TRP 37 2HB TRP 37 12.130 -7.753 7.364 284 HD1 TRP 37 HD1 TRP 37 13.023 -7.000 5.114 285 HE1 TRP 37 HE1 TRP 37 12.005 -6.607 2.785 286 HE3 TRP 37 HE3 TRP 37 8.048 -6.918 6.383 287 HZ2 TRP 37 HZ2 TRP 37 9.353 -6.670 1.597 288 HZ3 TRP 37 HZ3 TRP 37 6.347 -7.025 4.637 289 HH2 TRP 37 HH2 TRP 37 6.944 -6.896 2.251 290 H ASN 38 H ASN 38 11.898 -10.259 7.512 291 HA ASN 38 HA ASN 38 11.321 -11.486 5.051 292 HB2 ASN 38 1HB ASN 38 13.321 -11.773 6.602 293 HB3 ASN 38 2HB ASN 38 12.352 -12.882 7.564 294 HD21 ASN 38 2HD2 ASN 38 11.161 -14.603 5.697 295 HD22 ASN 38 1HD2 ASN 38 12.476 -15.360 4.812 296 H ARG 39 H ARG 39 9.693 -11.932 8.130 297 HA ARG 39 HA ARG 39 8.069 -14.248 7.219 298 HB2 ARG 39 1HB ARG 39 7.639 -12.772 9.820 299 HB3 ARG 39 2HB ARG 39 7.311 -14.449 9.418 300 HG2 ARG 39 1HG ARG 39 9.984 -13.139 10.025 301 HG3 ARG 39 2HG ARG 39 9.160 -14.380 10.948 302 HD2 ARG 39 1HD ARG 39 10.480 -14.728 8.225 303 HD3 ARG 39 2HD ARG 39 11.103 -15.285 9.775 304 HE ARG 39 HE ARG 39 8.676 -16.538 9.666 305 HH11 ARG 39 1HH1 ARG 39 11.377 -16.535 7.432 306 HH12 ARG 39 2HH1 ARG 39 10.909 -18.059 6.733 307 HH21 ARG 39 1HH2 ARG 39 8.190 -18.506 8.789 308 HH22 ARG 39 2HH2 ARG 39 9.179 -19.160 7.518 309 H ARG 40 H ARG 40 7.593 -10.857 8.096 310 HA ARG 40 HA ARG 40 4.815 -10.530 7.608 311 HB2 ARG 40 1HB ARG 40 7.186 -8.709 7.399 312 HB3 ARG 40 2HB ARG 40 5.614 -8.114 6.894 313 HG2 ARG 40 1HG ARG 40 5.958 -9.425 9.596 314 HG3 ARG 40 2HG ARG 40 6.413 -7.732 9.282 315 HD2 ARG 40 1HD ARG 40 4.358 -6.963 9.115 316 HD3 ARG 40 2HD ARG 40 3.703 -8.434 8.361 317 HE ARG 40 HE ARG 40 4.071 -9.351 10.837 318 HH11 ARG 40 1HH1 ARG 40 2.429 -6.454 9.762 319 HH12 ARG 40 2HH1 ARG 40 1.301 -6.506 11.093 320 HH21 ARG 40 1HH2 ARG 40 2.615 -9.372 12.471 321 HH22 ARG 40 2HH2 ARG 40 1.399 -8.135 12.579 322 H TYR 41 H TYR 41 7.490 -10.554 5.311 323 HA TYR 41 HA TYR 41 6.216 -9.730 2.986 324 HB2 TYR 41 1HB TYR 41 8.671 -10.576 3.470 325 HB3 TYR 41 2HB TYR 41 8.065 -12.133 2.932 326 HD1 TYR 41 HD1 TYR 41 6.694 -12.007 0.582 327 HD2 TYR 41 HD2 TYR 41 9.666 -9.193 1.912 328 HE1 TYR 41 HE1 TYR 41 6.906 -11.125 -1.740 329 HE2 TYR 41 HE2 TYR 41 9.903 -8.341 -0.417 330 HH TYR 41 HH TYR 41 9.304 -8.720 -2.675 331 H ARG 42 H ARG 42 6.002 -12.887 4.606 332 HA ARG 42 HA ARG 42 4.535 -14.239 2.527 333 HB2 ARG 42 1HB ARG 42 5.979 -15.233 4.477 334 HB3 ARG 42 2HB ARG 42 4.525 -15.059 5.456 335 HG2 ARG 42 1HG ARG 42 4.629 -17.296 4.584 336 HG3 ARG 42 2HG ARG 42 3.278 -16.479 3.794 337 HD2 ARG 42 1HD ARG 42 4.235 -16.581 1.728 338 HD3 ARG 42 2HD ARG 42 5.853 -16.193 2.338 339 HE ARG 42 HE ARG 42 5.402 -18.783 3.223 340 HH11 ARG 42 1HH1 ARG 42 5.541 -17.302 0.059 341 HH12 ARG 42 2HH1 ARG 42 6.213 -18.728 -0.681 342 HH21 ARG 42 1HH2 ARG 42 6.281 -20.552 2.242 343 HH22 ARG 42 2HH2 ARG 42 6.623 -20.522 0.538 344 H GLU 43 H GLU 43 3.356 -13.005 5.700 345 HA GLU 43 HA GLU 43 0.585 -13.490 5.173 346 HB2 GLU 43 1HB GLU 43 0.142 -11.638 6.821 347 HB3 GLU 43 2HB GLU 43 1.123 -13.000 7.393 348 HG2 GLU 43 1HG GLU 43 3.157 -11.650 7.082 349 HG3 GLU 43 2HG GLU 43 2.167 -10.253 6.618 350 H TYR 44 H TYR 44 2.496 -10.510 4.551 351 HA TYR 44 HA TYR 44 0.393 -9.092 3.251 352 HB2 TYR 44 1HB TYR 44 3.401 -8.899 3.035 353 HB3 TYR 44 2HB TYR 44 2.283 -7.737 2.377 354 HD1 TYR 44 HD1 TYR 44 0.417 -8.176 5.135 355 HD2 TYR 44 HD2 TYR 44 4.412 -6.993 4.128 356 HE1 TYR 44 HE1 TYR 44 0.547 -6.857 7.239 357 HE2 TYR 44 HE2 TYR 44 4.635 -5.819 6.405 358 HH TYR 44 HH TYR 44 2.884 -4.574 7.900 359 H MET 45 H MET 45 2.739 -11.405 1.869 360 HA MET 45 HA MET 45 2.114 -11.054 -0.867 361 HB2 MET 45 1HB MET 45 3.346 -13.178 0.781 362 HB3 MET 45 2HB MET 45 2.421 -13.848 -0.519 363 HG2 MET 45 1HG MET 45 4.027 -11.687 -1.585 364 HG3 MET 45 2HG MET 45 5.019 -12.736 -0.579 365 HE1 MET 45 3HE MET 45 6.595 -13.666 -2.280 366 HE2 MET 45 1HE MET 45 6.136 -14.245 -3.895 367 HE3 MET 45 2HE MET 45 5.929 -12.529 -3.479 368 H GLU 46 H GLU 46 0.254 -12.785 1.616 369 HA GLU 46 HA GLU 46 -1.649 -13.915 -0.323 370 HB2 GLU 46 1HB GLU 46 -2.065 -13.628 2.652 371 HB3 GLU 46 2HB GLU 46 -2.871 -14.723 1.493 372 HG2 GLU 46 1HG GLU 46 -0.774 -15.913 1.109 373 HG3 GLU 46 2HG GLU 46 0.086 -14.817 2.171 374 H LYS 47 H LYS 47 -1.491 -11.040 1.759 375 HA LYS 47 HA LYS 47 -4.184 -10.175 1.382 376 HB2 LYS 47 1HB LYS 47 -1.606 -8.843 2.148 377 HB3 LYS 47 2HB LYS 47 -2.851 -7.789 1.510 378 HG2 LYS 47 1HG LYS 47 -2.990 -7.710 3.810 379 HG3 LYS 47 2HG LYS 47 -4.431 -8.581 3.256 380 HD2 LYS 47 1HD LYS 47 -3.655 -10.633 4.162 381 HD3 LYS 47 2HD LYS 47 -1.969 -10.092 4.148 382 HE2 LYS 47 1HE LYS 47 -2.085 -9.462 6.253 383 HE3 LYS 47 2HE LYS 47 -3.227 -8.209 5.788 384 HZ1 LYS 47 3HZ LYS 47 -4.107 -9.691 7.534 385 HZ2 LYS 47 1HZ LYS 47 -4.052 -10.966 6.517 386 HZ3 LYS 47 2HZ LYS 47 -5.049 -9.682 6.192 387 H ILE 48 H ILE 48 -1.565 -10.201 -0.877 388 HA ILE 48 HA ILE 48 -2.537 -8.202 -2.697 389 HB ILE 48 HB ILE 48 -0.857 -10.562 -3.543 390 HG12 ILE 48 1HG1 ILE 48 0.264 -9.915 -1.565 391 HG13 ILE 48 2HG1 ILE 48 1.144 -9.186 -2.889 392 HG21 ILE 48 1HG2 ILE 48 0.236 -8.823 -4.953 393 HG22 ILE 48 2HG2 ILE 48 -1.472 -9.021 -5.341 394 HG23 ILE 48 3HG2 ILE 48 -0.939 -7.631 -4.378 395 HD11 ILE 48 3HD1 ILE 48 -0.186 -7.000 -2.400 396 HD12 ILE 48 1HD1 ILE 48 -0.682 -7.780 -0.888 397 HD13 ILE 48 2HD1 ILE 48 1.034 -7.518 -1.243 398 H LYS 49 H LYS 49 -3.567 -11.379 -2.083 399 HA LYS 49 HA LYS 49 -5.254 -11.561 -4.577 400 HB2 LYS 49 1HB LYS 49 -4.131 -13.770 -2.813 401 HB3 LYS 49 2HB LYS 49 -5.055 -14.000 -4.297 402 HG2 LYS 49 1HG LYS 49 -3.296 -13.200 -5.679 403 HG3 LYS 49 2HG LYS 49 -2.392 -12.510 -4.326 404 HD2 LYS 49 1HD LYS 49 -2.917 -15.491 -4.527 405 HD3 LYS 49 2HD LYS 49 -1.511 -14.705 -5.255 406 HE2 LYS 49 1HE LYS 49 -1.820 -13.723 -2.542 407 HE3 LYS 49 2HE LYS 49 -1.904 -15.476 -2.478 408 HZ1 LYS 49 3HZ LYS 49 0.382 -14.451 -2.344 409 HZ2 LYS 49 1HZ LYS 49 0.263 -14.011 -3.896 410 HZ3 LYS 49 2HZ LYS 49 0.253 -15.607 -3.509 411 H THR 50 H THR 50 -5.161 -11.959 -1.115 412 HA THR 50 HA THR 50 -8.105 -12.595 -0.996 413 HB THR 50 HB THR 50 -7.774 -13.707 1.037 414 HG1 THR 50 HG1 THR 50 -5.063 -12.879 1.054 415 HG21 THR 50 3HG2 THR 50 -6.804 -14.916 -1.013 416 HG22 THR 50 1HG2 THR 50 -6.244 -15.466 0.584 417 HG23 THR 50 2HG2 THR 50 -5.200 -14.424 -0.404 418 H GLY 51 H GLY 51 -5.714 -10.291 -0.056 419 HA2 GLY 51 1HA GLY 51 -7.130 -9.097 2.157 420 HA3 GLY 51 2HA GLY 51 -5.710 -8.441 1.340 421 H SER 52 H SER 52 -8.115 -7.177 2.213 422 HA SER 52 HA SER 52 -9.539 -6.352 -0.228 423 HB2 SER 52 1HB SER 52 -10.302 -6.726 2.335 424 HB3 SER 52 2HB SER 52 -9.954 -4.983 2.387 425 HG SER 52 HG SER 52 -11.843 -6.438 0.928 426 H VAL 53 H VAL 53 -10.136 -3.851 -0.090 427 HA VAL 53 HA VAL 53 -8.006 -2.291 -1.048 428 HB VAL 53 HB VAL 53 -10.226 -1.626 -1.448 429 HG11 VAL 53 1HG1 VAL 53 -11.831 -1.813 -0.014 430 HG12 VAL 53 2HG1 VAL 53 -10.756 -2.101 1.333 431 HG13 VAL 53 3HG1 VAL 53 -11.206 -0.438 0.928 432 HG21 VAL 53 3HG2 VAL 53 -10.072 0.707 -1.143 433 HG22 VAL 53 1HG2 VAL 53 -9.125 0.556 0.352 434 HG23 VAL 53 2HG2 VAL 53 -8.414 0.119 -1.216 435 H PHE 54 H PHE 54 -9.287 -2.160 2.267 436 HA PHE 54 HA PHE 54 -7.422 -0.340 3.357 437 HB2 PHE 54 1HB PHE 54 -9.004 -2.622 4.619 438 HB3 PHE 54 2HB PHE 54 -8.168 -1.364 5.532 439 HD1 PHE 54 HD2 PHE 54 -8.807 1.167 4.592 440 HD2 PHE 54 HD1 PHE 54 -11.318 -2.313 4.398 441 HE1 PHE 54 HE2 PHE 54 -10.793 2.608 4.427 442 HE2 PHE 54 HE1 PHE 54 -13.322 -0.862 4.292 443 HZ PHE 54 HZ PHE 54 -13.065 1.607 4.364 444 H GLU 55 H GLU 55 -7.141 -3.799 2.774 445 HA GLU 55 HA GLU 55 -4.720 -4.101 4.406 446 HB2 GLU 55 1HB GLU 55 -6.012 -6.097 2.518 447 HB3 GLU 55 2HB GLU 55 -4.736 -6.375 3.703 448 HG2 GLU 55 1HG GLU 55 -6.270 -5.700 5.541 449 HG3 GLU 55 2HG GLU 55 -7.571 -5.501 4.361 450 H ILE 56 H ILE 56 -5.424 -4.244 0.844 451 HA ILE 56 HA ILE 56 -2.821 -4.507 -0.149 452 HB ILE 56 HB ILE 56 -5.217 -2.986 -1.187 453 HG12 ILE 56 1HG1 ILE 56 -5.349 -5.465 -1.016 454 HG13 ILE 56 2HG1 ILE 56 -5.557 -4.830 -2.641 455 HG21 ILE 56 1HG2 ILE 56 -2.569 -3.366 -2.631 456 HG22 ILE 56 2HG2 ILE 56 -4.116 -2.920 -3.396 457 HG23 ILE 56 3HG2 ILE 56 -3.381 -1.840 -2.236 458 HD11 ILE 56 3HD1 ILE 56 -3.199 -5.474 -3.161 459 HD12 ILE 56 1HD1 ILE 56 -3.072 -6.176 -1.532 460 HD13 ILE 56 2HD1 ILE 56 -4.243 -6.827 -2.702 461 H ALA 57 H ALA 57 -4.502 -1.457 0.644 462 HA ALA 57 HA ALA 57 -2.274 0.265 0.176 463 HB1 ALA 57 3HB ALA 57 -3.590 1.697 1.951 464 HB2 ALA 57 1HB ALA 57 -4.358 1.318 0.397 465 HB3 ALA 57 2HB ALA 57 -4.782 0.393 1.855 466 H GLU 58 H GLU 58 -3.169 -1.469 3.230 467 HA GLU 58 HA GLU 58 -0.952 -0.424 4.756 468 HB2 GLU 58 1HB GLU 58 -2.834 -2.777 5.053 469 HB3 GLU 58 2HB GLU 58 -1.393 -2.667 6.054 470 HG2 GLU 58 1HG GLU 58 -2.116 -0.279 6.606 471 HG3 GLU 58 2HG GLU 58 -3.667 -0.680 5.894 472 H VAL 59 H VAL 59 -1.221 -3.197 2.571 473 HA VAL 59 HA VAL 59 1.276 -4.411 3.260 474 HB VAL 59 HB VAL 59 -0.189 -4.526 0.579 475 HG11 VAL 59 1HG1 VAL 59 1.337 -6.725 0.652 476 HG12 VAL 59 2HG1 VAL 59 1.934 -5.201 -0.011 477 HG13 VAL 59 3HG1 VAL 59 2.362 -5.704 1.639 478 HG21 VAL 59 3HG2 VAL 59 -1.628 -5.661 1.961 479 HG22 VAL 59 1HG2 VAL 59 -0.535 -6.956 1.579 480 HG23 VAL 59 2HG2 VAL 59 -0.373 -6.116 3.136 481 H LEU 60 H LEU 60 0.608 -2.389 0.352 482 HA LEU 60 HA LEU 60 3.337 -2.173 -0.357 483 HB2 LEU 60 1HB LEU 60 2.560 -1.255 -2.143 484 HB3 LEU 60 2HB LEU 60 0.945 -1.418 -1.522 485 HG LEU 60 HG LEU 60 2.659 1.092 -1.142 486 HD11 LEU 60 1HD1 LEU 60 2.237 0.468 -3.500 487 HD12 LEU 60 2HD1 LEU 60 1.572 2.019 -3.013 488 HD13 LEU 60 3HD1 LEU 60 0.500 0.595 -3.192 489 HD21 LEU 60 3HD2 LEU 60 -0.269 0.423 -0.689 490 HD22 LEU 60 1HD2 LEU 60 0.276 2.099 -0.940 491 HD23 LEU 60 2HD2 LEU 60 0.846 1.208 0.431 492 H ARG 61 H ARG 61 1.499 -0.252 1.873 493 HA ARG 61 HA ARG 61 3.268 1.916 2.403 494 HB2 ARG 61 1HB ARG 61 0.969 1.864 3.212 495 HB3 ARG 61 2HB ARG 61 1.253 0.360 4.054 496 HG2 ARG 61 1HG ARG 61 3.026 1.835 5.421 497 HG3 ARG 61 2HG ARG 61 2.007 3.143 4.894 498 HD2 ARG 61 1HD ARG 61 1.169 2.508 6.957 499 HD3 ARG 61 2HD ARG 61 0.045 1.784 5.791 500 HE ARG 61 HE ARG 61 1.935 -0.223 6.329 501 HH11 ARG 61 1HH1 ARG 61 -0.578 1.432 8.150 502 HH12 ARG 61 2HH1 ARG 61 -0.953 -0.040 9.012 503 HH21 ARG 61 1HH2 ARG 61 1.654 -1.883 7.778 504 HH22 ARG 61 2HH2 ARG 61 0.295 -1.771 8.877 505 H ASP 62 H ASP 62 3.019 -1.242 4.078 506 HA ASP 62 HA ASP 62 5.261 -0.854 5.790 507 HB2 ASP 62 1HB ASP 62 3.562 -3.122 4.948 508 HB3 ASP 62 2HB ASP 62 5.239 -3.591 5.218 509 H LEU 63 H LEU 63 5.161 -2.431 2.591 510 HA LEU 63 HA LEU 63 7.939 -2.933 2.307 511 HB2 LEU 63 1HB LEU 63 5.782 -2.311 0.273 512 HB3 LEU 63 2HB LEU 63 7.411 -2.747 -0.196 513 HG LEU 63 HG LEU 63 6.356 -4.644 1.787 514 HD11 LEU 63 1HD1 LEU 63 4.641 -5.660 0.626 515 HD12 LEU 63 2HD1 LEU 63 4.939 -4.765 -0.889 516 HD13 LEU 63 3HD1 LEU 63 4.231 -3.961 0.516 517 HD21 LEU 63 3HD2 LEU 63 7.276 -4.969 -1.093 518 HD22 LEU 63 1HD2 LEU 63 7.066 -6.283 0.069 519 HD23 LEU 63 2HD2 LEU 63 8.321 -5.054 0.340 520 H TYR 64 H TYR 64 6.183 0.118 1.462 521 HA TYR 64 HA TYR 64 8.519 1.493 0.539 522 HB2 TYR 64 1HB TYR 64 5.762 2.270 1.370 523 HB3 TYR 64 2HB TYR 64 6.982 3.525 1.452 524 HD1 TYR 64 HD2 TYR 64 8.647 3.648 -0.635 525 HD2 TYR 64 HD1 TYR 64 4.661 2.016 -0.702 526 HE1 TYR 64 HE2 TYR 64 8.491 4.075 -3.101 527 HE2 TYR 64 HE1 TYR 64 4.521 2.463 -3.138 528 HH TYR 64 HH TYR 64 6.164 4.573 -4.693 529 H LEU 65 H LEU 65 7.033 1.513 3.826 530 HA LEU 65 HA LEU 65 9.088 3.277 4.883 531 HB2 LEU 65 1HB LEU 65 7.091 1.461 6.279 532 HB3 LEU 65 2HB LEU 65 8.294 2.434 7.104 533 HG LEU 65 HG LEU 65 7.239 4.474 5.737 534 HD11 LEU 65 1HD1 LEU 65 5.041 2.442 5.768 535 HD12 LEU 65 2HD1 LEU 65 5.657 3.362 4.377 536 HD13 LEU 65 3HD1 LEU 65 4.740 4.185 5.643 537 HD21 LEU 65 3HD2 LEU 65 7.069 4.787 7.967 538 HD22 LEU 65 1HD2 LEU 65 6.579 3.127 8.318 539 HD23 LEU 65 2HD2 LEU 65 5.379 4.273 7.736 540 H LEU 66 H LEU 66 9.032 -0.237 4.441 541 HA LEU 66 HA LEU 66 10.925 -1.043 6.254 542 HB2 LEU 66 1HB LEU 66 9.894 -2.006 3.670 543 HB3 LEU 66 2HB LEU 66 11.583 -2.396 3.834 544 HG LEU 66 HG LEU 66 10.368 -4.219 4.538 545 HD11 LEU 66 1HD1 LEU 66 11.238 -2.886 7.125 546 HD12 LEU 66 2HD1 LEU 66 12.331 -3.664 5.950 547 HD13 LEU 66 3HD1 LEU 66 11.095 -4.596 6.805 548 HD21 LEU 66 3HD2 LEU 66 8.735 -4.239 6.411 549 HD22 LEU 66 1HD2 LEU 66 8.205 -3.439 4.938 550 HD23 LEU 66 2HD2 LEU 66 8.714 -2.460 6.339 551 H LYS 67 H LYS 67 11.592 0.493 3.146 552 HA LYS 67 HA LYS 67 14.492 0.705 3.821 553 HB2 LYS 67 1HB LYS 67 13.372 0.096 1.429 554 HB3 LYS 67 2HB LYS 67 13.362 1.857 1.282 555 HG2 LYS 67 1HG LYS 67 15.437 1.137 0.349 556 HG3 LYS 67 2HG LYS 67 15.840 1.802 1.929 557 HD2 LYS 67 1HD LYS 67 15.452 -0.846 2.608 558 HD3 LYS 67 2HD LYS 67 15.933 -1.024 0.919 559 HE2 LYS 67 1HE LYS 67 17.973 0.327 1.368 560 HE3 LYS 67 2HE LYS 67 17.486 0.519 3.057 561 HZ1 LYS 67 3HZ LYS 67 17.882 -1.735 3.481 562 HZ2 LYS 67 1HZ LYS 67 19.112 -1.366 2.474 563 HZ3 LYS 67 2HZ LYS 67 17.817 -2.180 1.907 564 H GLY 68 H GLY 68 11.641 2.683 3.714 565 HA2 GLY 68 1HA GLY 68 11.287 4.749 4.753 566 HA3 GLY 68 2HA GLY 68 13.011 4.888 5.089 567 H ASP 69 H ASP 69 12.247 4.190 1.802 568 HA ASP 69 HA ASP 69 12.248 6.972 0.852 569 HB2 ASP 69 1HB ASP 69 14.671 5.246 0.921 570 HB3 ASP 69 2HB ASP 69 14.286 5.798 -0.694 571 H LYS 70 H LYS 70 12.093 7.079 -1.508 572 HA LYS 70 HA LYS 70 10.107 5.331 -2.623 573 HB2 LYS 70 1HB LYS 70 10.476 6.591 -4.729 574 HB3 LYS 70 2HB LYS 70 10.200 7.596 -3.327 575 HG2 LYS 70 1HG LYS 70 12.807 7.804 -3.179 576 HG3 LYS 70 2HG LYS 70 12.814 7.161 -4.819 577 HD2 LYS 70 1HD LYS 70 11.067 9.542 -4.071 578 HD3 LYS 70 2HD LYS 70 12.782 9.778 -4.346 579 HE2 LYS 70 1HE LYS 70 11.230 8.228 -6.411 580 HE3 LYS 70 2HE LYS 70 10.951 9.968 -6.320 581 HZ1 LYS 70 3HZ LYS 70 13.745 9.105 -6.372 582 HZ2 LYS 70 1HZ LYS 70 13.055 10.427 -7.033 583 HZ3 LYS 70 2HZ LYS 70 12.911 8.980 -7.771 584 H ASP 71 H ASP 71 13.569 5.276 -2.844 585 HA ASP 71 HA ASP 71 13.680 3.239 -4.953 586 HB2 ASP 71 1HB ASP 71 15.391 5.010 -4.730 587 HB3 ASP 71 2HB ASP 71 15.879 4.350 -3.170 588 H LEU 72 H LEU 72 12.512 1.520 -4.161 589 HA LEU 72 HA LEU 72 13.346 0.105 -1.706 590 HB2 LEU 72 1HB LEU 72 10.994 0.196 -3.466 591 HB3 LEU 72 2HB LEU 72 11.548 -1.463 -3.269 592 HG LEU 72 HG LEU 72 11.454 -1.268 -0.841 593 HD11 LEU 72 1HD1 LEU 72 11.937 1.176 -0.560 594 HD12 LEU 72 2HD1 LEU 72 10.476 0.698 0.265 595 HD13 LEU 72 3HD1 LEU 72 10.375 1.559 -1.290 596 HD21 LEU 72 3HD2 LEU 72 8.838 -0.149 -1.855 597 HD22 LEU 72 1HD2 LEU 72 9.147 -1.463 -0.703 598 HD23 LEU 72 2HD2 LEU 72 9.403 -1.745 -2.414 599 H SER 73 H SER 73 14.088 -2.023 -1.598 600 HA SER 73 HA SER 73 16.130 -2.758 -3.498 601 HB2 SER 73 1HB SER 73 14.742 -4.351 -1.300 602 HB3 SER 73 2HB SER 73 16.151 -4.915 -2.213 603 HG SER 73 HG SER 73 16.784 -3.947 -0.261 604 H PHE 74 H PHE 74 16.184 -4.607 -4.891 605 HA PHE 74 HA PHE 74 14.058 -4.991 -6.654 606 HB2 PHE 74 1HB PHE 74 16.395 -5.600 -7.101 607 HB3 PHE 74 2HB PHE 74 16.304 -6.914 -5.937 608 HD1 PHE 74 HD2 PHE 74 15.279 -5.757 -9.301 609 HD2 PHE 74 HD1 PHE 74 15.101 -9.007 -6.464 610 HE1 PHE 74 HE2 PHE 74 14.476 -7.282 -11.089 611 HE2 PHE 74 HE1 PHE 74 14.301 -10.524 -8.255 612 HZ PHE 74 HZ PHE 74 13.981 -9.665 -10.569 613 H GLY 75 H GLY 75 14.856 -7.047 -3.844 614 HA2 GLY 75 1HA GLY 75 12.829 -9.000 -4.115 615 HA3 GLY 75 2HA GLY 75 13.579 -8.523 -2.585 616 H GLU 76 H GLU 76 12.677 -5.973 -2.134 617 HA GLU 76 HA GLU 76 9.894 -6.298 -1.382 618 HB2 GLU 76 1HB GLU 76 11.693 -3.853 -1.548 619 HB3 GLU 76 2HB GLU 76 10.042 -3.813 -0.932 620 HG2 GLU 76 1HG GLU 76 10.643 -4.552 1.084 621 HG3 GLU 76 2HG GLU 76 11.417 -5.971 0.404 622 H ARG 77 H ARG 77 11.445 -4.622 -4.117 623 HA ARG 77 HA ARG 77 9.156 -3.408 -5.223 624 HB2 ARG 77 1HB ARG 77 11.729 -3.333 -5.925 625 HB3 ARG 77 2HB ARG 77 11.244 -4.595 -7.039 626 HG2 ARG 77 1HG ARG 77 10.856 -2.821 -8.394 627 HG3 ARG 77 2HG ARG 77 9.278 -2.847 -7.630 628 HD2 ARG 77 1HD ARG 77 9.582 -0.784 -6.783 629 HD3 ARG 77 2HD ARG 77 11.069 -1.246 -5.972 630 HE ARG 77 HE ARG 77 10.790 0.191 -8.481 631 HH11 ARG 77 1HH1 ARG 77 13.094 -1.793 -6.746 632 HH12 ARG 77 2HH1 ARG 77 14.400 -1.351 -7.804 633 HH21 ARG 77 1HH2 ARG 77 12.526 0.808 -9.706 634 HH22 ARG 77 2HH2 ARG 77 14.086 0.104 -9.410 635 H LYS 78 H LYS 78 10.087 -6.792 -5.426 636 HA LYS 78 HA LYS 78 8.444 -7.600 -7.595 637 HB2 LYS 78 1HB LYS 78 9.105 -9.247 -5.116 638 HB3 LYS 78 2HB LYS 78 8.515 -9.876 -6.635 639 HG2 LYS 78 1HG LYS 78 10.874 -8.311 -7.230 640 HG3 LYS 78 2HG LYS 78 11.211 -9.267 -5.794 641 HD2 LYS 78 1HD LYS 78 11.933 -10.659 -7.443 642 HD3 LYS 78 2HD LYS 78 10.320 -11.305 -7.191 643 HE2 LYS 78 1HE LYS 78 11.065 -9.242 -9.335 644 HE3 LYS 78 2HE LYS 78 11.122 -10.982 -9.608 645 HZ1 LYS 78 3HZ LYS 78 8.662 -9.453 -8.955 646 HZ2 LYS 78 1HZ LYS 78 8.729 -11.081 -9.139 647 HZ3 LYS 78 2HZ LYS 78 9.041 -10.097 -10.400 648 H MET 79 H MET 79 7.550 -7.727 -4.131 649 HA MET 79 HA MET 79 4.739 -8.313 -4.767 650 HB2 MET 79 1HB MET 79 5.930 -9.127 -2.705 651 HB3 MET 79 2HB MET 79 5.910 -7.459 -2.101 652 HG2 MET 79 1HG MET 79 3.250 -7.936 -2.806 653 HG3 MET 79 2HG MET 79 3.782 -9.523 -2.287 654 HE1 MET 79 3HE MET 79 4.996 -8.491 1.468 655 HE2 MET 79 1HE MET 79 4.933 -9.849 0.314 656 HE3 MET 79 2HE MET 79 6.001 -8.458 0.013 657 H LEU 80 H LEU 80 6.599 -5.416 -3.735 658 HA LEU 80 HA LEU 80 4.445 -3.627 -3.373 659 HB2 LEU 80 1HB LEU 80 6.833 -3.128 -2.813 660 HB3 LEU 80 2HB LEU 80 7.184 -3.060 -4.538 661 HG LEU 80 HG LEU 80 5.107 -1.268 -4.390 662 HD11 LEU 80 1HD1 LEU 80 5.147 -1.580 -1.859 663 HD12 LEU 80 2HD1 LEU 80 5.103 0.050 -2.532 664 HD13 LEU 80 3HD1 LEU 80 6.628 -0.600 -1.899 665 HD21 LEU 80 3HD2 LEU 80 6.815 0.518 -4.438 666 HD22 LEU 80 1HD2 LEU 80 7.099 -0.806 -5.582 667 HD23 LEU 80 2HD2 LEU 80 8.053 -0.707 -4.088 668 H ASP 81 H ASP 81 6.184 -4.353 -6.474 669 HA ASP 81 HA ASP 81 4.805 -2.665 -8.217 670 HB2 ASP 81 1HB ASP 81 6.707 -3.962 -8.911 671 HB3 ASP 81 2HB ASP 81 5.882 -5.482 -8.561 672 H THR 82 H THR 82 3.713 -5.833 -6.990 673 HA THR 82 HA THR 82 1.261 -5.836 -8.561 674 HB THR 82 HB THR 82 1.636 -7.494 -6.064 675 HG1 THR 82 HG1 THR 82 2.925 -7.810 -8.561 676 HG21 THR 82 3HG2 THR 82 0.489 -9.187 -7.512 677 HG22 THR 82 1HG2 THR 82 0.408 -7.994 -8.823 678 HG23 THR 82 2HG2 THR 82 -0.484 -7.716 -7.313 679 H ALA 83 H ALA 83 1.988 -5.249 -5.074 680 HA ALA 83 HA ALA 83 -0.656 -4.547 -4.303 681 HB1 ALA 83 3HB ALA 83 1.901 -3.498 -3.046 682 HB2 ALA 83 1HB ALA 83 0.314 -3.771 -2.278 683 HB3 ALA 83 2HB ALA 83 1.295 -5.150 -2.801 684 H ARG 84 H ARG 84 1.838 -2.560 -5.801 685 HA ARG 84 HA ARG 84 0.665 0.063 -5.560 686 HB2 ARG 84 1HB ARG 84 2.543 -1.247 -7.566 687 HB3 ARG 84 2HB ARG 84 2.022 0.405 -7.787 688 HG2 ARG 84 1HG ARG 84 3.238 -0.404 -5.151 689 HG3 ARG 84 2HG ARG 84 4.281 -0.246 -6.548 690 HD2 ARG 84 1HD ARG 84 2.571 2.098 -6.470 691 HD3 ARG 84 2HD ARG 84 3.217 1.840 -4.866 692 HE ARG 84 HE ARG 84 5.302 2.455 -5.578 693 HH11 ARG 84 1HH1 ARG 84 3.514 1.802 -8.512 694 HH12 ARG 84 2HH1 ARG 84 4.856 2.241 -9.520 695 HH21 ARG 84 1HH2 ARG 84 6.918 3.002 -6.856 696 HH22 ARG 84 2HH2 ARG 84 6.774 2.900 -8.593 697 H SER 85 H SER 85 0.551 -2.253 -8.262 698 HA SER 85 HA SER 85 -1.304 -0.805 -9.862 699 HB2 SER 85 1HB SER 85 0.230 -2.965 -10.315 700 HB3 SER 85 2HB SER 85 -1.298 -3.801 -9.999 701 HG SER 85 HG SER 85 -0.753 -1.771 -11.944 702 H LEU 86 H LEU 86 -1.842 -2.755 -7.062 703 HA LEU 86 HA LEU 86 -4.767 -2.876 -7.454 704 HB2 LEU 86 1HB LEU 86 -2.902 -3.911 -5.283 705 HB3 LEU 86 2HB LEU 86 -4.647 -4.144 -5.254 706 HG LEU 86 HG LEU 86 -2.978 -5.132 -7.609 707 HD11 LEU 86 1HD1 LEU 86 -2.823 -7.288 -6.552 708 HD12 LEU 86 2HD1 LEU 86 -3.693 -6.707 -5.119 709 HD13 LEU 86 3HD1 LEU 86 -2.074 -6.071 -5.507 710 HD21 LEU 86 3HD2 LEU 86 -4.882 -6.811 -7.677 711 HD22 LEU 86 1HD2 LEU 86 -5.328 -5.144 -8.062 712 HD23 LEU 86 2HD2 LEU 86 -5.706 -5.820 -6.453 713 H LEU 87 H LEU 87 -2.463 -1.217 -5.244 714 HA LEU 87 HA LEU 87 -4.151 0.083 -3.489 715 HB2 LEU 87 1HB LEU 87 -1.740 0.356 -3.383 716 HB3 LEU 87 2HB LEU 87 -1.698 1.125 -4.975 717 HG LEU 87 HG LEU 87 -3.154 3.017 -3.971 718 HD11 LEU 87 1HD1 LEU 87 -2.054 1.793 -1.418 719 HD12 LEU 87 2HD1 LEU 87 -3.767 1.878 -1.869 720 HD13 LEU 87 3HD1 LEU 87 -2.853 3.369 -1.557 721 HD21 LEU 87 3HD2 LEU 87 -0.677 3.044 -4.590 722 HD22 LEU 87 1HD2 LEU 87 -0.414 2.875 -2.845 723 HD23 LEU 87 2HD2 LEU 87 -1.313 4.255 -3.476 724 H ILE 88 H ILE 88 -3.182 1.370 -6.671 725 HA ILE 88 HA ILE 88 -5.067 3.518 -6.439 726 HB ILE 88 HB ILE 88 -4.378 4.365 -8.438 727 HG12 ILE 88 1HG1 ILE 88 -4.734 2.536 -9.972 728 HG13 ILE 88 2HG1 ILE 88 -3.144 3.269 -10.201 729 HG21 ILE 88 1HG2 ILE 88 -2.187 4.729 -8.074 730 HG22 ILE 88 2HG2 ILE 88 -2.598 3.966 -6.535 731 HG23 ILE 88 3HG2 ILE 88 -1.782 3.019 -7.768 732 HD11 ILE 88 3HD1 ILE 88 -2.058 1.378 -9.215 733 HD12 ILE 88 1HD1 ILE 88 -3.621 0.696 -8.686 734 HD13 ILE 88 2HD1 ILE 88 -3.218 0.792 -10.410 735 H LYS 89 H LYS 89 -5.544 0.363 -7.316 736 HA LYS 89 HA LYS 89 -7.588 0.547 -9.373 737 HB2 LYS 89 1HB LYS 89 -6.092 -1.463 -8.680 738 HB3 LYS 89 2HB LYS 89 -7.289 -1.750 -7.407 739 HG2 LYS 89 1HG LYS 89 -9.061 -1.951 -9.158 740 HG3 LYS 89 2HG LYS 89 -7.804 -1.722 -10.392 741 HD2 LYS 89 1HD LYS 89 -8.039 -4.061 -10.255 742 HD3 LYS 89 2HD LYS 89 -6.585 -3.717 -9.330 743 HE2 LYS 89 1HE LYS 89 -7.459 -4.713 -7.509 744 HE3 LYS 89 2HE LYS 89 -8.786 -3.558 -7.482 745 HZ1 LYS 89 3HZ LYS 89 -10.059 -5.015 -8.902 746 HZ2 LYS 89 1HZ LYS 89 -9.463 -5.916 -7.658 747 HZ3 LYS 89 2HZ LYS 89 -8.786 -6.026 -9.139 748 H GLU 90 H GLU 90 -7.742 0.090 -5.845 749 HA GLU 90 HA GLU 90 -10.673 0.121 -5.776 750 HB2 GLU 90 1HB GLU 90 -8.903 0.649 -3.389 751 HB3 GLU 90 2HB GLU 90 -10.489 -0.069 -3.460 752 HG2 GLU 90 1HG GLU 90 -9.566 -2.086 -3.425 753 HG3 GLU 90 2HG GLU 90 -8.973 -1.817 -5.037 754 H LEU 91 H LEU 91 -8.095 2.312 -4.723 755 HA LEU 91 HA LEU 91 -9.709 4.541 -3.999 756 HB2 LEU 91 1HB LEU 91 -6.775 4.256 -4.819 757 HB3 LEU 91 2HB LEU 91 -7.459 5.739 -4.114 758 HG LEU 91 HG LEU 91 -7.274 3.008 -2.774 759 HD11 LEU 91 1HD1 LEU 91 -5.618 5.532 -2.500 760 HD12 LEU 91 2HD1 LEU 91 -5.083 3.885 -2.867 761 HD13 LEU 91 3HD1 LEU 91 -5.666 4.277 -1.245 762 HD21 LEU 91 3HD2 LEU 91 -9.058 5.049 -2.154 763 HD22 LEU 91 1HD2 LEU 91 -7.744 5.334 -1.043 764 HD23 LEU 91 2HD2 LEU 91 -8.535 3.727 -1.146 765 H SER 92 H SER 92 -8.795 3.453 -7.073 766 HA SER 92 HA SER 92 -8.690 5.581 -8.723 767 HB2 SER 92 1HB SER 92 -8.727 4.049 -10.324 768 HB3 SER 92 2HB SER 92 -9.075 2.852 -9.090 769 HG SER 92 HG SER 92 -10.565 2.715 -10.756 770 H LEU 93 H LEU 93 -11.597 4.397 -7.269 771 HA LEU 93 HA LEU 93 -13.538 5.836 -8.665 772 HB2 LEU 93 1HB LEU 93 -13.640 3.922 -6.817 773 HB3 LEU 93 2HB LEU 93 -13.773 5.256 -5.692 774 HG LEU 93 HG LEU 93 -15.941 4.383 -6.176 775 HD11 LEU 93 1HD1 LEU 93 -15.784 6.978 -7.741 776 HD12 LEU 93 2HD1 LEU 93 -15.764 6.871 -5.963 777 HD13 LEU 93 3HD1 LEU 93 -17.175 6.307 -6.878 778 HD21 LEU 93 3HD2 LEU 93 -16.931 4.237 -8.375 779 HD22 LEU 93 1HD2 LEU 93 -15.391 3.362 -8.387 780 HD23 LEU 93 2HD2 LEU 93 -15.507 4.970 -9.134 781 H ALA 94 H ALA 94 -12.173 6.773 -5.503 782 HA ALA 94 HA ALA 94 -13.285 9.451 -5.561 783 HB1 ALA 94 3HB ALA 94 -10.975 8.339 -3.942 784 HB2 ALA 94 1HB ALA 94 -11.895 9.810 -3.578 785 HB3 ALA 94 2HB ALA 94 -12.700 8.232 -3.487 786 H LYS 95 H LYS 95 -10.297 8.053 -6.774 787 HA LYS 95 HA LYS 95 -8.721 10.390 -7.146 788 HB2 LYS 95 1HB LYS 95 -7.417 8.691 -7.586 789 HB3 LYS 95 2HB LYS 95 -8.723 7.635 -8.118 790 HG2 LYS 95 1HG LYS 95 -8.647 8.483 -10.351 791 HG3 LYS 95 2HG LYS 95 -7.538 9.792 -9.860 792 HD2 LYS 95 1HD LYS 95 -6.105 8.404 -10.878 793 HD3 LYS 95 2HD LYS 95 -5.890 7.879 -9.247 794 HE2 LYS 95 1HE LYS 95 -6.332 5.755 -9.989 795 HE3 LYS 95 2HE LYS 95 -7.995 6.272 -10.311 796 HZ1 LYS 95 3HZ LYS 95 -5.807 6.570 -12.289 797 HZ2 LYS 95 1HZ LYS 95 -7.376 6.891 -12.538 798 HZ3 LYS 95 2HZ LYS 95 -6.884 5.340 -12.297 799 H ASP 96 H ASP 96 -10.995 8.876 -9.437 800 HA ASP 96 HA ASP 96 -11.869 9.567 -11.433 801 HB2 ASP 96 1HB ASP 96 -13.199 10.710 -9.639 802 HB3 ASP 96 2HB ASP 96 -12.275 12.176 -9.953 803 H CYS 97 H CYS 97 -9.044 9.816 -11.456 804 HA CYS 97 HA CYS 97 -8.476 11.742 -13.587 805 HB2 CYS 97 1HB CYS 97 -8.267 12.733 -11.057 806 HB3 CYS 97 2HB CYS 97 -6.666 12.010 -11.214 807 HG CYS 97 HG CYS 97 -7.957 14.659 -12.332 808 H SER 98 H SER 98 -5.746 11.702 -13.605 809 HA SER 98 HA SER 98 -4.973 9.132 -14.647 810 HB2 SER 98 1HB SER 98 -3.358 11.547 -13.709 811 HB3 SER 98 2HB SER 98 -2.633 10.127 -14.480 812 HG SER 98 HG SER 98 -3.056 11.695 -16.040 813 H GLU 99 H GLU 99 -3.554 7.510 -13.743 814 HA GLU 99 HA GLU 99 -3.868 6.783 -11.021 815 HB2 GLU 99 1HB GLU 99 -1.705 6.022 -13.011 816 HB3 GLU 99 2HB GLU 99 -1.814 5.356 -11.367 817 HG2 GLU 99 1HG GLU 99 -4.151 4.629 -11.845 818 HG3 GLU 99 2HG GLU 99 -3.941 5.130 -13.526 819 H ASP 100 H ASP 100 -1.490 8.958 -12.344 820 HA ASP 100 HA ASP 100 0.381 9.213 -10.277 821 HB2 ASP 100 1HB ASP 100 -0.694 10.944 -12.462 822 HB3 ASP 100 2HB ASP 100 -0.061 11.836 -11.096 823 H GLU 101 H GLU 101 -3.056 10.200 -10.156 824 HA GLU 101 HA GLU 101 -2.844 12.066 -7.996 825 HB2 GLU 101 1HB GLU 101 -4.861 11.888 -9.295 826 HB3 GLU 101 2HB GLU 101 -5.091 10.198 -8.867 827 HG2 GLU 101 1HG GLU 101 -5.809 10.606 -6.760 828 HG3 GLU 101 2HG GLU 101 -4.816 12.040 -6.531 829 H ILE 102 H ILE 102 -3.556 8.538 -7.882 830 HA ILE 102 HA ILE 102 -3.191 8.467 -4.957 831 HB ILE 102 HB ILE 102 -3.674 6.243 -6.920 832 HG12 ILE 102 1HG1 ILE 102 -5.816 7.198 -5.017 833 HG13 ILE 102 2HG1 ILE 102 -5.534 8.192 -6.429 834 HG21 ILE 102 1HG2 ILE 102 -2.704 5.387 -4.841 835 HG22 ILE 102 2HG2 ILE 102 -3.827 6.337 -3.869 836 HG23 ILE 102 3HG2 ILE 102 -4.420 4.987 -4.862 837 HD11 ILE 102 3HD1 ILE 102 -5.802 6.219 -7.910 838 HD12 ILE 102 1HD1 ILE 102 -6.139 5.224 -6.524 839 HD13 ILE 102 2HD1 ILE 102 -7.236 6.526 -6.907 840 H GLU 103 H GLU 103 -1.342 7.399 -7.849 841 HA GLU 103 HA GLU 103 0.729 5.968 -6.504 842 HB2 GLU 103 1HB GLU 103 0.451 7.385 -9.157 843 HB3 GLU 103 2HB GLU 103 2.050 6.938 -8.641 844 HG2 GLU 103 1HG GLU 103 1.259 4.578 -8.296 845 HG3 GLU 103 2HG GLU 103 -0.290 5.051 -8.983 846 H SER 104 H SER 104 0.590 9.482 -7.517 847 HA SER 104 HA SER 104 3.120 10.041 -6.192 848 HB2 SER 104 1HB SER 104 1.043 12.045 -7.124 849 HB3 SER 104 2HB SER 104 2.719 12.360 -6.687 850 HG SER 104 HG SER 104 1.907 11.819 -9.057 851 H ASP 105 H ASP 105 -0.309 10.117 -5.118 852 HA ASP 105 HA ASP 105 0.094 11.714 -2.810 853 HB2 ASP 105 1HB ASP 105 -1.928 9.754 -3.683 854 HB3 ASP 105 2HB ASP 105 -1.655 9.699 -1.965 855 H LEU 106 H LEU 106 1.201 8.445 -3.434 856 HA LEU 106 HA LEU 106 1.820 7.588 -0.809 857 HB2 LEU 106 1HB LEU 106 3.453 7.144 -3.343 858 HB3 LEU 106 2HB LEU 106 3.554 6.196 -1.876 859 HG LEU 106 HG LEU 106 1.142 6.334 -3.735 860 HD11 LEU 106 1HD1 LEU 106 3.055 4.061 -3.171 861 HD12 LEU 106 2HD1 LEU 106 3.085 5.086 -4.619 862 HD13 LEU 106 3HD1 LEU 106 1.686 4.052 -4.308 863 HD21 LEU 106 3HD2 LEU 106 -0.112 5.439 -2.102 864 HD22 LEU 106 1HD2 LEU 106 1.185 5.638 -0.947 865 HD23 LEU 106 2HD2 LEU 106 1.079 4.141 -1.837 866 H LYS 107 H LYS 107 3.491 9.948 -2.811 867 HA LYS 107 HA LYS 107 5.862 10.112 -1.230 868 HB2 LYS 107 1HB LYS 107 6.480 11.873 -2.630 869 HB3 LYS 107 2HB LYS 107 5.285 11.058 -3.632 870 HG2 LYS 107 1HG LYS 107 3.570 12.713 -2.644 871 HG3 LYS 107 2HG LYS 107 4.919 13.610 -2.001 872 HD2 LYS 107 1HD LYS 107 5.476 14.508 -4.016 873 HD3 LYS 107 2HD LYS 107 5.269 12.981 -4.868 874 HE2 LYS 107 1HE LYS 107 3.708 14.643 -5.672 875 HE3 LYS 107 2HE LYS 107 2.894 13.240 -4.956 876 HZ1 LYS 107 3HZ LYS 107 2.029 15.565 -4.349 877 HZ2 LYS 107 1HZ LYS 107 3.317 15.686 -3.354 878 HZ3 LYS 107 2HZ LYS 107 2.205 14.499 -3.131 879 H LYS 108 H LYS 108 2.720 11.531 -0.768 880 HA LYS 108 HA LYS 108 3.529 13.309 1.453 881 HB2 LYS 108 1HB LYS 108 1.937 13.955 -0.386 882 HB3 LYS 108 2HB LYS 108 0.840 12.686 0.141 883 HG2 LYS 108 1HG LYS 108 1.570 14.404 2.390 884 HG3 LYS 108 2HG LYS 108 1.033 15.386 1.039 885 HD2 LYS 108 1HD LYS 108 -0.562 13.023 2.124 886 HD3 LYS 108 2HD LYS 108 -0.796 14.707 2.648 887 HE2 LYS 108 1HE LYS 108 -1.265 15.362 0.286 888 HE3 LYS 108 2HE LYS 108 -1.066 13.680 -0.206 889 HZ1 LYS 108 3HZ LYS 108 -2.963 13.110 1.221 890 HZ2 LYS 108 1HZ LYS 108 -3.379 14.176 0.076 891 HZ3 LYS 108 2HZ LYS 108 -3.181 14.692 1.618 892 H ILE 109 H ILE 109 2.072 10.187 0.905 893 HA ILE 109 HA ILE 109 1.134 9.779 3.645 894 HB ILE 109 HB ILE 109 1.615 7.761 1.431 895 HG12 ILE 109 1HG1 ILE 109 -1.093 8.849 2.387 896 HG13 ILE 109 2HG1 ILE 109 -0.246 9.677 1.110 897 HG21 ILE 109 1HG2 ILE 109 -0.059 7.564 3.962 898 HG22 ILE 109 2HG2 ILE 109 0.240 6.296 2.735 899 HG23 ILE 109 3HG2 ILE 109 1.541 6.832 3.771 900 HD11 ILE 109 3HD1 ILE 109 -0.357 7.753 -0.356 901 HD12 ILE 109 1HD1 ILE 109 -1.037 6.741 0.931 902 HD13 ILE 109 2HD1 ILE 109 -1.967 8.096 0.282 903 H PHE 110 H PHE 110 3.750 8.103 1.798 904 HA PHE 110 HA PHE 110 5.015 7.249 4.292 905 HB2 PHE 110 1HB PHE 110 6.082 6.718 1.553 906 HB3 PHE 110 2HB PHE 110 6.283 5.766 3.009 907 HD1 PHE 110 HD1 PHE 110 3.491 5.359 3.949 908 HD2 PHE 110 HD2 PHE 110 5.108 5.372 -0.059 909 HE1 PHE 110 HE1 PHE 110 1.508 4.110 3.098 910 HE2 PHE 110 HE2 PHE 110 3.212 4.012 -0.825 911 HZ PHE 110 HZ PHE 110 1.360 3.448 0.737 912 H ASN 111 H ASN 111 5.162 10.121 2.872 913 HA ASN 111 HA ASN 111 6.557 11.884 2.649 914 HB2 ASN 111 1HB ASN 111 6.529 11.404 5.132 915 HB3 ASN 111 2HB ASN 111 8.167 10.740 4.911 916 HD21 ASN 111 2HD2 ASN 111 8.319 12.640 6.647 917 HD22 ASN 111 1HD2 ASN 111 8.764 14.174 5.917 918 H LEU 112 H LEU 112 7.035 10.317 0.695 919 HA LEU 112 HA LEU 112 9.894 9.607 0.341 920 HB2 LEU 112 1HB LEU 112 7.761 9.511 -1.798 921 HB3 LEU 112 2HB LEU 112 9.248 8.613 -1.714 922 HG LEU 112 HG LEU 112 7.034 8.153 0.293 923 HD11 LEU 112 1HD1 LEU 112 6.875 7.569 -2.521 924 HD12 LEU 112 2HD1 LEU 112 5.745 7.208 -1.217 925 HD13 LEU 112 3HD1 LEU 112 7.001 6.053 -1.621 926 HD21 LEU 112 3HD2 LEU 112 8.099 6.028 0.674 927 HD22 LEU 112 1HD2 LEU 112 9.375 7.256 0.736 928 HD23 LEU 112 2HD2 LEU 112 9.162 6.248 -0.716 929 H ALA 113 H ALA 113 7.818 12.267 -0.372 930 HA ALA 113 HA ALA 113 8.901 13.346 -2.755 931 HB1 ALA 113 3HB ALA 113 7.093 14.584 -2.420 932 HB2 ALA 113 1HB ALA 113 6.983 14.144 -0.702 933 HB3 ALA 113 2HB ALA 113 7.976 15.519 -1.218 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -23.517 -16.122 18.875 2 H2 GLY 1 2H GLY 1 -23.991 -17.679 19.072 3 H3 GLY 1 3H GLY 1 -22.881 -17.024 20.086 4 HA2 GLY 1 1HA GLY 1 -21.494 -18.215 18.731 5 HA3 GLY 1 2HA GLY 1 -22.559 -17.946 17.339 6 H SER 2 H SER 2 -19.654 -17.495 17.609 7 HA SER 2 HA SER 2 -19.552 -14.749 16.485 8 HB2 SER 2 1HB SER 2 -17.704 -15.761 18.692 9 HB3 SER 2 2HB SER 2 -17.456 -14.278 17.754 10 HG SER 2 HG SER 2 -18.480 -13.881 19.771 11 H HIS 3 H HIS 3 -17.675 -14.370 15.200 12 HA HIS 3 HA HIS 3 -15.727 -16.464 14.661 13 HB2 HIS 3 1HB HIS 3 -16.222 -16.785 12.312 14 HB3 HIS 3 2HB HIS 3 -17.647 -17.205 13.236 15 HD1 HIS 3 HD1 HIS 3 -16.515 -14.897 10.481 16 HD2 HIS 3 HD2 HIS 3 -19.756 -15.369 13.159 17 HE1 HIS 3 HE1 HIS 3 -18.419 -13.405 9.595 18 HE2 HIS 3 HE2 HIS 3 -20.391 -13.700 11.223 19 H MET 4 H MET 4 -13.919 -15.690 13.567 20 HA MET 4 HA MET 4 -13.810 -12.766 12.903 21 HB2 MET 4 1HB MET 4 -11.706 -14.457 14.320 22 HB3 MET 4 2HB MET 4 -11.364 -12.919 13.521 23 HG2 MET 4 1HG MET 4 -13.200 -11.881 14.937 24 HG3 MET 4 2HG MET 4 -13.169 -13.357 15.911 25 HE1 MET 4 3HE MET 4 -12.864 -10.976 17.586 26 HE2 MET 4 1HE MET 4 -11.314 -10.107 17.657 27 HE3 MET 4 2HE MET 4 -12.365 -9.930 16.237 28 H GLY 5 H GLY 5 -12.423 -12.188 11.206 29 HA2 GLY 5 1HA GLY 5 -11.063 -13.990 9.449 30 HA3 GLY 5 2HA GLY 5 -12.729 -13.750 8.891 31 H SER 6 H SER 6 -11.994 -12.712 7.008 32 HA SER 6 HA SER 6 -10.344 -10.390 6.872 33 HB2 SER 6 1HB SER 6 -12.446 -10.447 4.840 34 HB3 SER 6 2HB SER 6 -10.699 -10.590 4.659 35 HG SER 6 HG SER 6 -10.870 -12.813 5.009 36 H VAL 7 H VAL 7 -11.125 -8.192 6.223 37 HA VAL 7 HA VAL 7 -12.816 -6.986 8.118 38 HB VAL 7 HB VAL 7 -11.087 -5.849 6.831 39 HG11 VAL 7 1HG1 VAL 7 -13.025 -5.724 4.498 40 HG12 VAL 7 2HG1 VAL 7 -11.365 -5.103 4.582 41 HG13 VAL 7 3HG1 VAL 7 -11.666 -6.846 4.594 42 HG21 VAL 7 3HG2 VAL 7 -12.824 -4.515 7.991 43 HG22 VAL 7 1HG2 VAL 7 -12.163 -3.706 6.566 44 HG23 VAL 7 2HG2 VAL 7 -13.768 -4.452 6.485 45 H GLY 8 H GLY 8 -13.777 -8.491 5.130 46 HA2 GLY 8 1HA GLY 8 -16.093 -9.433 5.251 47 HA3 GLY 8 2HA GLY 8 -16.669 -7.806 5.608 48 H LEU 9 H LEU 9 -15.193 -6.311 3.789 49 HA LEU 9 HA LEU 9 -16.532 -6.890 1.245 50 HB2 LEU 9 1HB LEU 9 -15.671 -4.701 0.572 51 HB3 LEU 9 2HB LEU 9 -16.609 -4.629 2.029 52 HG LEU 9 HG LEU 9 -13.629 -4.869 2.416 53 HD11 LEU 9 1HD1 LEU 9 -13.735 -3.305 0.557 54 HD12 LEU 9 2HD1 LEU 9 -13.356 -2.431 2.055 55 HD13 LEU 9 3HD1 LEU 9 -14.998 -2.369 1.388 56 HD21 LEU 9 3HD2 LEU 9 -14.117 -3.146 4.164 57 HD22 LEU 9 1HD2 LEU 9 -15.138 -4.570 4.388 58 HD23 LEU 9 2HD2 LEU 9 -15.813 -3.110 3.648 59 H ARG 10 H ARG 10 -14.813 -5.951 -0.573 60 HA ARG 10 HA ARG 10 -12.362 -7.681 -0.617 61 HB2 ARG 10 1HB ARG 10 -14.624 -7.491 -2.636 62 HB3 ARG 10 2HB ARG 10 -13.004 -7.893 -3.180 63 HG2 ARG 10 1HG ARG 10 -14.323 -9.495 -0.950 64 HG3 ARG 10 2HG ARG 10 -14.701 -9.773 -2.641 65 HD2 ARG 10 1HD ARG 10 -11.990 -9.819 -2.849 66 HD3 ARG 10 2HD ARG 10 -12.134 -10.280 -1.159 67 HE ARG 10 HE ARG 10 -12.848 -12.375 -1.852 68 HH11 ARG 10 1HH1 ARG 10 -13.408 -10.237 -4.572 69 HH12 ARG 10 2HH1 ARG 10 -13.940 -11.535 -5.603 70 HH21 ARG 10 1HH2 ARG 10 -13.509 -13.989 -3.233 71 HH22 ARG 10 2HH2 ARG 10 -13.976 -13.595 -4.861 72 H GLU 11 H GLU 11 -13.688 -5.590 -3.081 73 HA GLU 11 HA GLU 11 -11.448 -3.622 -2.709 74 HB2 GLU 11 1HB GLU 11 -11.767 -5.624 -4.827 75 HB3 GLU 11 2HB GLU 11 -11.709 -3.989 -5.480 76 HG2 GLU 11 1HG GLU 11 -9.611 -3.564 -4.262 77 HG3 GLU 11 2HG GLU 11 -9.654 -5.181 -3.568 78 H ILE 12 H ILE 12 -14.542 -4.310 -4.331 79 HA ILE 12 HA ILE 12 -15.080 -1.722 -5.288 80 HB ILE 12 HB ILE 12 -16.282 -3.606 -6.086 81 HG12 ILE 12 1HG1 ILE 12 -18.561 -2.777 -6.094 82 HG13 ILE 12 2HG1 ILE 12 -18.279 -1.790 -4.664 83 HG21 ILE 12 1HG2 ILE 12 -17.364 -5.186 -4.902 84 HG22 ILE 12 2HG2 ILE 12 -16.518 -4.553 -3.482 85 HG23 ILE 12 3HG2 ILE 12 -18.154 -4.014 -3.831 86 HD11 ILE 12 3HD1 ILE 12 -18.248 -0.649 -6.998 87 HD12 ILE 12 1HD1 ILE 12 -16.978 -0.215 -5.846 88 HD13 ILE 12 2HD1 ILE 12 -16.625 -1.348 -7.171 89 H ILE 13 H ILE 13 -15.081 0.044 -4.214 90 HA ILE 13 HA ILE 13 -16.710 0.439 -1.784 91 HB ILE 13 HB ILE 13 -14.851 1.641 -0.709 92 HG12 ILE 13 1HG1 ILE 13 -12.473 0.704 -1.455 93 HG13 ILE 13 2HG1 ILE 13 -13.198 0.638 -3.044 94 HG21 ILE 13 1HG2 ILE 13 -13.911 -0.214 0.331 95 HG22 ILE 13 2HG2 ILE 13 -15.518 -0.712 -0.186 96 HG23 ILE 13 3HG2 ILE 13 -14.088 -1.238 -1.107 97 HD11 ILE 13 3HD1 ILE 13 -13.633 3.066 -2.969 98 HD12 ILE 13 1HD1 ILE 13 -12.973 3.125 -1.313 99 HD13 ILE 13 2HD1 ILE 13 -11.927 2.693 -2.662 100 H SER 14 H SER 14 -16.443 2.852 -1.120 101 HA SER 14 HA SER 14 -16.688 4.634 -3.497 102 HB2 SER 14 1HB SER 14 -18.460 5.785 -2.428 103 HB3 SER 14 2HB SER 14 -18.844 4.066 -2.250 104 HG SER 14 HG SER 14 -19.113 5.130 -0.268 105 H GLU 15 H GLU 15 -16.534 7.032 -2.566 106 HA GLU 15 HA GLU 15 -13.910 7.626 -1.789 107 HB2 GLU 15 1HB GLU 15 -15.889 9.095 -2.702 108 HB3 GLU 15 2HB GLU 15 -16.277 9.342 -0.995 109 HG2 GLU 15 1HG GLU 15 -13.784 10.072 -0.760 110 HG3 GLU 15 2HG GLU 15 -13.770 10.109 -2.523 111 H GLU 16 H GLU 16 -16.578 6.725 0.316 112 HA GLU 16 HA GLU 16 -15.774 7.701 2.847 113 HB2 GLU 16 1HB GLU 16 -17.164 5.108 2.068 114 HB3 GLU 16 2HB GLU 16 -17.039 5.692 3.722 115 HG2 GLU 16 1HG GLU 16 -18.331 7.338 1.505 116 HG3 GLU 16 2HG GLU 16 -19.219 6.154 2.457 117 H ASP 17 H ASP 17 -15.060 4.492 1.454 118 HA ASP 17 HA ASP 17 -13.198 3.617 3.501 119 HB2 ASP 17 1HB ASP 17 -14.123 1.904 2.236 120 HB3 ASP 17 2HB ASP 17 -13.962 2.812 0.728 121 H VAL 18 H VAL 18 -12.765 5.224 0.308 122 HA VAL 18 HA VAL 18 -9.978 5.075 0.251 123 HB VAL 18 HB VAL 18 -11.647 7.360 -0.851 124 HG11 VAL 18 1HG1 VAL 18 -9.348 6.994 -2.447 125 HG12 VAL 18 2HG1 VAL 18 -9.719 8.333 -1.340 126 HG13 VAL 18 3HG1 VAL 18 -8.753 6.952 -0.805 127 HG21 VAL 18 3HG2 VAL 18 -11.186 5.932 -3.033 128 HG22 VAL 18 1HG2 VAL 18 -10.981 4.610 -1.870 129 HG23 VAL 18 2HG2 VAL 18 -12.496 5.508 -1.937 130 H LYS 19 H LYS 19 -11.962 7.712 1.587 131 HA LYS 19 HA LYS 19 -9.909 9.364 2.695 132 HB2 LYS 19 1HB LYS 19 -12.757 8.795 3.612 133 HB3 LYS 19 2HB LYS 19 -11.756 10.058 4.306 134 HG2 LYS 19 1HG LYS 19 -12.568 9.887 1.364 135 HG3 LYS 19 2HG LYS 19 -13.371 10.869 2.578 136 HD2 LYS 19 1HD LYS 19 -10.510 11.203 1.561 137 HD3 LYS 19 2HD LYS 19 -11.916 12.196 1.165 138 HE2 LYS 19 1HE LYS 19 -12.154 12.664 3.666 139 HE3 LYS 19 2HE LYS 19 -10.566 11.908 3.880 140 HZ1 LYS 19 3HZ LYS 19 -10.518 14.381 3.605 141 HZ2 LYS 19 1HZ LYS 19 -11.052 14.218 2.073 142 HZ3 LYS 19 2HZ LYS 19 -9.595 13.611 2.498 143 H GLN 20 H GLN 20 -11.489 6.489 4.118 144 HA GLN 20 HA GLN 20 -10.027 6.653 6.613 145 HB2 GLN 20 1HB GLN 20 -12.075 5.493 6.609 146 HB3 GLN 20 2HB GLN 20 -11.569 4.377 5.341 147 HG2 GLN 20 1HG GLN 20 -10.012 3.266 6.743 148 HG3 GLN 20 2HG GLN 20 -9.982 4.581 7.926 149 HE21 GLN 20 2HE2 GLN 20 -10.548 1.613 8.276 150 HE22 GLN 20 1HE2 GLN 20 -12.084 1.644 9.136 151 H VAL 21 H VAL 21 -9.493 4.633 3.681 152 HA VAL 21 HA VAL 21 -7.166 3.300 4.408 153 HB VAL 21 HB VAL 21 -8.114 4.339 1.799 154 HG11 VAL 21 1HG1 VAL 21 -6.386 2.725 0.755 155 HG12 VAL 21 2HG1 VAL 21 -5.768 4.268 1.353 156 HG13 VAL 21 3HG1 VAL 21 -5.583 2.807 2.343 157 HG21 VAL 21 3HG2 VAL 21 -9.311 2.420 2.820 158 HG22 VAL 21 1HG2 VAL 21 -8.623 2.103 1.241 159 HG23 VAL 21 2HG2 VAL 21 -7.803 1.472 2.682 160 H TYR 22 H TYR 22 -7.341 6.537 2.862 161 HA TYR 22 HA TYR 22 -4.580 7.135 2.850 162 HB2 TYR 22 1HB TYR 22 -7.093 8.735 2.807 163 HB3 TYR 22 2HB TYR 22 -5.602 9.564 3.218 164 HD1 TYR 22 HD1 TYR 22 -6.940 7.159 0.641 165 HD2 TYR 22 HD2 TYR 22 -4.137 10.305 1.554 166 HE1 TYR 22 HE1 TYR 22 -6.346 7.300 -1.754 167 HE2 TYR 22 HE2 TYR 22 -3.488 10.392 -0.847 168 HH TYR 22 HH TYR 22 -5.157 8.435 -3.328 169 H SER 23 H SER 23 -6.842 7.314 5.560 170 HA SER 23 HA SER 23 -4.984 8.610 7.383 171 HB2 SER 23 1HB SER 23 -7.610 8.528 7.351 172 HB3 SER 23 2HB SER 23 -7.383 7.037 8.281 173 HG SER 23 HG SER 23 -7.137 9.628 9.051 174 H ILE 24 H ILE 24 -5.571 5.280 6.441 175 HA ILE 24 HA ILE 24 -4.483 3.944 8.780 176 HB ILE 24 HB ILE 24 -4.689 2.918 5.912 177 HG12 ILE 24 1HG1 ILE 24 -6.643 2.550 8.228 178 HG13 ILE 24 2HG1 ILE 24 -6.853 3.643 6.864 179 HG21 ILE 24 1HG2 ILE 24 -4.702 0.672 7.039 180 HG22 ILE 24 2HG2 ILE 24 -3.164 1.524 7.111 181 HG23 ILE 24 3HG2 ILE 24 -4.219 1.472 8.544 182 HD11 ILE 24 3HD1 ILE 24 -6.568 1.525 5.362 183 HD12 ILE 24 1HD1 ILE 24 -7.118 0.691 6.847 184 HD13 ILE 24 2HD1 ILE 24 -8.088 2.002 6.126 185 H LEU 25 H LEU 25 -3.155 4.708 5.563 186 HA LEU 25 HA LEU 25 -0.454 3.982 6.455 187 HB2 LEU 25 1HB LEU 25 -0.090 4.931 3.958 188 HB3 LEU 25 2HB LEU 25 -0.387 3.274 4.400 189 HG LEU 25 HG LEU 25 -2.799 3.564 3.804 190 HD11 LEU 25 1HD1 LEU 25 -3.343 5.461 2.354 191 HD12 LEU 25 2HD1 LEU 25 -1.726 6.138 2.594 192 HD13 LEU 25 3HD1 LEU 25 -2.838 6.051 3.957 193 HD21 LEU 25 3HD2 LEU 25 -2.306 3.581 1.350 194 HD22 LEU 25 1HD2 LEU 25 -1.221 2.532 2.275 195 HD23 LEU 25 2HD2 LEU 25 -0.650 4.109 1.707 196 H LYS 26 H LYS 26 -2.201 6.864 6.540 197 HA LYS 26 HA LYS 26 -0.193 8.828 6.222 198 HB2 LYS 26 1HB LYS 26 -2.889 8.725 7.131 199 HB3 LYS 26 2HB LYS 26 -2.015 9.404 8.463 200 HG2 LYS 26 1HG LYS 26 -2.825 11.196 7.074 201 HG3 LYS 26 2HG LYS 26 -1.069 11.133 6.996 202 HD2 LYS 26 1HD LYS 26 -1.544 9.704 4.758 203 HD3 LYS 26 2HD LYS 26 -3.138 10.421 4.875 204 HE2 LYS 26 1HE LYS 26 -1.656 11.638 3.360 205 HE3 LYS 26 2HE LYS 26 -2.243 12.660 4.674 206 HZ1 LYS 26 3HZ LYS 26 -0.141 12.713 5.644 207 HZ2 LYS 26 1HZ LYS 26 0.298 12.674 4.068 208 HZ3 LYS 26 2HZ LYS 26 0.369 11.322 4.969 209 H GLU 27 H GLU 27 -0.494 6.563 8.792 210 HA GLU 27 HA GLU 27 1.307 7.998 10.621 211 HB2 GLU 27 1HB GLU 27 -0.572 6.590 11.415 212 HB3 GLU 27 2HB GLU 27 0.215 5.156 10.751 213 HG2 GLU 27 1HG GLU 27 1.743 5.039 12.434 214 HG3 GLU 27 2HG GLU 27 1.988 6.778 12.502 215 H LYS 28 H LYS 28 3.408 7.679 10.901 216 HA LYS 28 HA LYS 28 4.911 5.890 9.061 217 HB2 LYS 28 1HB LYS 28 5.717 8.361 10.624 218 HB3 LYS 28 2HB LYS 28 6.820 7.418 9.634 219 HG2 LYS 28 1HG LYS 28 4.269 8.704 8.543 220 HG3 LYS 28 2HG LYS 28 5.821 9.515 8.560 221 HD2 LYS 28 1HD LYS 28 5.147 6.946 7.059 222 HD3 LYS 28 2HD LYS 28 5.315 8.536 6.358 223 HE2 LYS 28 1HE LYS 28 7.541 6.895 7.678 224 HE3 LYS 28 2HE LYS 28 7.321 7.207 5.957 225 HZ1 LYS 28 3HZ LYS 28 7.566 9.631 6.544 226 HZ2 LYS 28 1HZ LYS 28 8.921 8.735 6.642 227 HZ3 LYS 28 2HZ LYS 28 8.136 9.167 8.010 228 H ASP 29 H ASP 29 3.719 5.425 11.931 229 HA ASP 29 HA ASP 29 6.116 4.409 13.375 230 HB2 ASP 29 1HB ASP 29 3.243 4.728 14.308 231 HB3 ASP 29 2HB ASP 29 4.628 4.311 15.315 232 H ILE 30 H ILE 30 4.453 3.105 11.072 233 HA ILE 30 HA ILE 30 3.709 0.495 12.235 234 HB ILE 30 HB ILE 30 2.742 0.024 10.039 235 HG12 ILE 30 1HG1 ILE 30 2.593 2.183 8.512 236 HG13 ILE 30 2HG1 ILE 30 4.092 2.614 9.280 237 HG21 ILE 30 1HG2 ILE 30 1.207 0.984 11.496 238 HG22 ILE 30 2HG2 ILE 30 1.954 2.592 11.454 239 HG23 ILE 30 3HG2 ILE 30 1.063 2.010 10.062 240 HD11 ILE 30 3HD1 ILE 30 4.294 1.357 7.065 241 HD12 ILE 30 1HD1 ILE 30 5.165 0.570 8.361 242 HD13 ILE 30 2HD1 ILE 30 3.581 -0.044 7.851 243 H SER 31 H SER 31 6.539 1.793 11.047 244 HA SER 31 HA SER 31 7.636 0.147 9.134 245 HB2 SER 31 1HB SER 31 9.861 0.791 10.187 246 HB3 SER 31 2HB SER 31 8.774 2.097 9.699 247 HG SER 31 HG SER 31 9.208 2.744 11.683 248 H VAL 32 H VAL 32 7.481 -1.988 9.087 249 HA VAL 32 HA VAL 32 7.636 -3.720 11.370 250 HB VAL 32 HB VAL 32 7.795 -4.328 8.385 251 HG11 VAL 32 1HG1 VAL 32 7.431 -6.257 10.727 252 HG12 VAL 32 2HG1 VAL 32 7.277 -6.649 8.994 253 HG13 VAL 32 3HG1 VAL 32 8.842 -6.198 9.648 254 HG21 VAL 32 3HG2 VAL 32 5.535 -4.791 8.477 255 HG22 VAL 32 1HG2 VAL 32 5.496 -4.991 10.244 256 HG23 VAL 32 2HG2 VAL 32 5.638 -3.388 9.539 257 H ASP 33 H ASP 33 9.294 -4.718 12.324 258 HA ASP 33 HA ASP 33 12.021 -3.981 11.945 259 HB2 ASP 33 1HB ASP 33 10.447 -5.863 13.631 260 HB3 ASP 33 2HB ASP 33 12.056 -6.448 13.262 261 H SER 34 H SER 34 13.787 -5.003 10.988 262 HA SER 34 HA SER 34 13.336 -6.422 8.581 263 HB2 SER 34 1HB SER 34 15.595 -5.292 9.959 264 HB3 SER 34 2HB SER 34 16.028 -6.931 9.468 265 HG SER 34 HG SER 34 15.061 -4.806 7.830 266 H THR 35 H THR 35 14.245 -7.742 11.762 267 HA THR 35 HA THR 35 14.747 -10.440 11.014 268 HB THR 35 HB THR 35 13.509 -9.364 13.580 269 HG1 THR 35 HG1 THR 35 15.487 -8.879 14.138 270 HG21 THR 35 3HG2 THR 35 15.009 -11.968 13.033 271 HG22 THR 35 1HG2 THR 35 13.305 -11.812 13.519 272 HG23 THR 35 2HG2 THR 35 14.585 -11.347 14.645 273 H THR 36 H THR 36 11.693 -8.828 11.848 274 HA THR 36 HA THR 36 10.078 -11.240 11.340 275 HB THR 36 HB THR 36 9.283 -8.395 12.055 276 HG1 THR 36 HG1 THR 36 9.381 -9.088 14.062 277 HG21 THR 36 3HG2 THR 36 7.162 -9.667 12.839 278 HG22 THR 36 1HG2 THR 36 7.691 -10.970 11.756 279 HG23 THR 36 2HG2 THR 36 7.356 -9.354 11.097 280 H TRP 37 H TRP 37 11.044 -8.369 9.521 281 HA TRP 37 HA TRP 37 9.101 -8.186 7.622 282 HB2 TRP 37 1HB TRP 37 10.913 -6.630 7.650 283 HB3 TRP 37 2HB TRP 37 12.089 -7.892 7.299 284 HD1 TRP 37 HD1 TRP 37 13.056 -7.206 5.054 285 HE1 TRP 37 HE1 TRP 37 12.115 -6.876 2.675 286 HE3 TRP 37 HE3 TRP 37 8.062 -7.286 6.133 287 HZ2 TRP 37 HZ2 TRP 37 9.500 -6.814 1.402 288 HZ3 TRP 37 HZ3 TRP 37 6.390 -7.265 4.335 289 HH2 TRP 37 HH2 TRP 37 7.083 -7.061 1.963 290 H ASN 38 H ASN 38 11.820 -10.454 7.441 291 HA ASN 38 HA ASN 38 11.292 -11.780 5.039 292 HB2 ASN 38 1HB ASN 38 12.399 -12.675 7.720 293 HB3 ASN 38 2HB ASN 38 12.209 -13.833 6.397 294 HD21 ASN 38 2HD2 ASN 38 14.527 -14.153 6.407 295 HD22 ASN 38 1HD2 ASN 38 15.543 -12.932 5.650 296 H ARG 39 H ARG 39 9.524 -12.183 8.077 297 HA ARG 39 HA ARG 39 7.806 -14.364 7.011 298 HB2 ARG 39 1HB ARG 39 7.902 -12.978 9.727 299 HB3 ARG 39 2HB ARG 39 6.658 -14.124 9.248 300 HG2 ARG 39 1HG ARG 39 8.258 -15.310 10.537 301 HG3 ARG 39 2HG ARG 39 8.383 -15.872 8.864 302 HD2 ARG 39 1HD ARG 39 10.391 -14.611 8.506 303 HD3 ARG 39 2HD ARG 39 10.222 -13.765 10.067 304 HE ARG 39 HE ARG 39 10.348 -16.500 10.671 305 HH11 ARG 39 1HH1 ARG 39 12.520 -14.151 9.290 306 HH12 ARG 39 2HH1 ARG 39 13.939 -15.107 9.624 307 HH21 ARG 39 1HH2 ARG 39 12.193 -17.611 11.214 308 HH22 ARG 39 2HH2 ARG 39 13.747 -16.993 10.739 309 H ARG 40 H ARG 40 7.557 -10.944 7.951 310 HA ARG 40 HA ARG 40 4.796 -10.554 7.445 311 HB2 ARG 40 1HB ARG 40 7.002 -8.816 7.994 312 HB3 ARG 40 2HB ARG 40 6.211 -8.231 6.527 313 HG2 ARG 40 1HG ARG 40 5.016 -7.115 8.115 314 HG3 ARG 40 2HG ARG 40 3.978 -8.517 7.819 315 HD2 ARG 40 1HD ARG 40 5.605 -9.470 9.799 316 HD3 ARG 40 2HD ARG 40 5.635 -7.724 10.162 317 HE ARG 40 HE ARG 40 2.950 -8.862 9.770 318 HH11 ARG 40 1HH1 ARG 40 5.405 -8.486 12.236 319 HH12 ARG 40 2HH1 ARG 40 4.298 -8.895 13.516 320 HH21 ARG 40 1HH2 ARG 40 1.625 -9.297 11.370 321 HH22 ARG 40 2HH2 ARG 40 2.158 -9.301 13.039 322 H TYR 41 H TYR 41 7.451 -10.706 5.162 323 HA TYR 41 HA TYR 41 6.209 -9.873 2.808 324 HB2 TYR 41 1HB TYR 41 8.629 -10.828 3.359 325 HB3 TYR 41 2HB TYR 41 7.956 -12.341 2.779 326 HD1 TYR 41 HD2 TYR 41 6.604 -12.068 0.398 327 HD2 TYR 41 HD1 TYR 41 9.720 -9.473 1.871 328 HE1 TYR 41 HE2 TYR 41 6.925 -11.139 -1.889 329 HE2 TYR 41 HE1 TYR 41 10.058 -8.577 -0.423 330 HH TYR 41 HH TYR 41 9.514 -8.819 -2.613 331 H ARG 42 H ARG 42 5.908 -12.985 4.464 332 HA ARG 42 HA ARG 42 4.453 -14.373 2.375 333 HB2 ARG 42 1HB ARG 42 4.507 -15.070 5.344 334 HB3 ARG 42 2HB ARG 42 4.129 -16.147 4.014 335 HG2 ARG 42 1HG ARG 42 6.841 -14.864 4.568 336 HG3 ARG 42 2HG ARG 42 6.396 -16.514 4.943 337 HD2 ARG 42 1HD ARG 42 6.134 -15.637 2.054 338 HD3 ARG 42 2HD ARG 42 7.741 -15.806 2.728 339 HE ARG 42 HE ARG 42 7.518 -18.089 2.918 340 HH11 ARG 42 1HH1 ARG 42 4.369 -16.921 1.901 341 HH12 ARG 42 2HH1 ARG 42 3.791 -18.535 1.601 342 HH21 ARG 42 1HH2 ARG 42 6.741 -20.069 2.464 343 HH22 ARG 42 2HH2 ARG 42 5.112 -20.266 1.893 344 H GLU 43 H GLU 43 3.288 -13.097 5.502 345 HA GLU 43 HA GLU 43 0.506 -13.487 4.998 346 HB2 GLU 43 1HB GLU 43 0.107 -11.635 6.641 347 HB3 GLU 43 2HB GLU 43 1.138 -12.953 7.211 348 HG2 GLU 43 1HG GLU 43 3.126 -11.532 6.690 349 HG3 GLU 43 2HG GLU 43 2.038 -10.178 6.358 350 H TYR 44 H TYR 44 2.474 -10.549 4.312 351 HA TYR 44 HA TYR 44 0.409 -9.115 2.996 352 HB2 TYR 44 1HB TYR 44 3.413 -9.014 2.768 353 HB3 TYR 44 2HB TYR 44 2.346 -7.839 2.043 354 HD1 TYR 44 HD1 TYR 44 0.508 -8.244 4.905 355 HD2 TYR 44 HD2 TYR 44 4.441 -6.941 3.705 356 HE1 TYR 44 HE1 TYR 44 0.723 -6.984 7.010 357 HE2 TYR 44 HE2 TYR 44 4.701 -5.744 5.912 358 HH TYR 44 HH TYR 44 3.604 -5.117 7.892 359 H MET 45 H MET 45 2.739 -11.447 1.584 360 HA MET 45 HA MET 45 2.072 -11.112 -1.129 361 HB2 MET 45 1HB MET 45 3.292 -13.272 0.505 362 HB3 MET 45 2HB MET 45 2.366 -13.883 -0.845 363 HG2 MET 45 1HG MET 45 3.647 -12.160 -2.283 364 HG3 MET 45 2HG MET 45 4.764 -12.064 -0.920 365 HE1 MET 45 3HE MET 45 6.153 -14.302 -4.028 366 HE2 MET 45 1HE MET 45 5.443 -12.692 -3.788 367 HE3 MET 45 2HE MET 45 6.861 -13.197 -2.833 368 H GLU 46 H GLU 46 0.244 -12.837 1.377 369 HA GLU 46 HA GLU 46 -1.722 -13.929 -0.517 370 HB2 GLU 46 1HB GLU 46 -2.094 -13.692 2.477 371 HB3 GLU 46 2HB GLU 46 -2.889 -14.780 1.316 372 HG2 GLU 46 1HG GLU 46 -0.634 -15.797 0.835 373 HG3 GLU 46 2HG GLU 46 0.029 -14.810 2.124 374 H LYS 47 H LYS 47 -1.540 -11.144 1.699 375 HA LYS 47 HA LYS 47 -4.170 -10.196 1.318 376 HB2 LYS 47 1HB LYS 47 -1.590 -8.886 2.103 377 HB3 LYS 47 2HB LYS 47 -2.880 -7.844 1.545 378 HG2 LYS 47 1HG LYS 47 -2.964 -7.842 3.842 379 HG3 LYS 47 2HG LYS 47 -4.405 -8.698 3.275 380 HD2 LYS 47 1HD LYS 47 -3.579 -10.787 4.074 381 HD3 LYS 47 2HD LYS 47 -1.915 -10.185 4.127 382 HE2 LYS 47 1HE LYS 47 -2.071 -9.595 6.224 383 HE3 LYS 47 2HE LYS 47 -3.331 -8.437 5.819 384 HZ1 LYS 47 3HZ LYS 47 -4.986 -9.872 6.401 385 HZ2 LYS 47 1HZ LYS 47 -3.847 -10.324 7.506 386 HZ3 LYS 47 2HZ LYS 47 -4.107 -11.247 6.185 387 H ILE 48 H ILE 48 -1.661 -10.242 -1.033 388 HA ILE 48 HA ILE 48 -2.609 -8.101 -2.722 389 HB ILE 48 HB ILE 48 -1.040 -10.477 -3.726 390 HG12 ILE 48 1HG1 ILE 48 0.169 -9.922 -1.772 391 HG13 ILE 48 2HG1 ILE 48 1.028 -9.182 -3.105 392 HG21 ILE 48 1HG2 ILE 48 0.052 -8.741 -5.130 393 HG22 ILE 48 2HG2 ILE 48 -1.683 -8.840 -5.442 394 HG23 ILE 48 3HG2 ILE 48 -1.027 -7.518 -4.454 395 HD11 ILE 48 3HD1 ILE 48 0.995 -7.607 -1.341 396 HD12 ILE 48 1HD1 ILE 48 -0.123 -6.958 -2.535 397 HD13 ILE 48 2HD1 ILE 48 -0.763 -7.731 -1.081 398 H LYS 49 H LYS 49 -3.648 -11.362 -2.302 399 HA LYS 49 HA LYS 49 -5.586 -11.129 -4.592 400 HB2 LYS 49 1HB LYS 49 -5.260 -13.379 -5.149 401 HB3 LYS 49 2HB LYS 49 -3.643 -12.746 -4.852 402 HG2 LYS 49 1HG LYS 49 -4.152 -13.691 -2.370 403 HG3 LYS 49 2HG LYS 49 -5.291 -14.702 -3.252 404 HD2 LYS 49 1HD LYS 49 -3.324 -15.983 -3.086 405 HD3 LYS 49 2HD LYS 49 -3.254 -15.337 -4.734 406 HE2 LYS 49 1HE LYS 49 -2.070 -13.362 -3.028 407 HE3 LYS 49 2HE LYS 49 -1.484 -14.888 -2.396 408 HZ1 LYS 49 3HZ LYS 49 -1.317 -14.637 -5.292 409 HZ2 LYS 49 1HZ LYS 49 -0.196 -15.186 -4.239 410 HZ3 LYS 49 2HZ LYS 49 -0.378 -13.582 -4.470 411 H THR 50 H THR 50 -5.182 -11.988 -1.238 412 HA THR 50 HA THR 50 -8.100 -12.690 -0.996 413 HB THR 50 HB THR 50 -7.674 -13.877 0.946 414 HG1 THR 50 HG1 THR 50 -6.268 -13.234 2.312 415 HG21 THR 50 3HG2 THR 50 -5.066 -14.426 -0.479 416 HG22 THR 50 1HG2 THR 50 -6.638 -14.958 -1.145 417 HG23 THR 50 2HG2 THR 50 -6.079 -15.550 0.436 418 H GLY 51 H GLY 51 -5.655 -10.450 -0.022 419 HA2 GLY 51 1HA GLY 51 -6.986 -9.281 2.226 420 HA3 GLY 51 2HA GLY 51 -5.644 -8.561 1.342 421 H SER 52 H SER 52 -8.121 -7.491 2.399 422 HA SER 52 HA SER 52 -9.647 -6.557 0.076 423 HB2 SER 52 1HB SER 52 -9.650 -5.899 3.039 424 HB3 SER 52 2HB SER 52 -10.813 -5.198 1.880 425 HG SER 52 HG SER 52 -10.423 -7.959 2.464 426 H VAL 53 H VAL 53 -10.099 -4.163 -0.036 427 HA VAL 53 HA VAL 53 -7.970 -2.566 -0.777 428 HB VAL 53 HB VAL 53 -10.155 -1.981 -1.417 429 HG11 VAL 53 1HG1 VAL 53 -11.421 -2.876 0.528 430 HG12 VAL 53 2HG1 VAL 53 -10.837 -1.528 1.520 431 HG13 VAL 53 3HG1 VAL 53 -11.890 -1.225 0.139 432 HG21 VAL 53 3HG2 VAL 53 -9.620 0.251 0.529 433 HG22 VAL 53 1HG2 VAL 53 -8.482 -0.044 -0.774 434 HG23 VAL 53 2HG2 VAL 53 -10.176 0.336 -1.147 435 H PHE 54 H PHE 54 -9.431 -2.509 2.476 436 HA PHE 54 HA PHE 54 -7.642 -0.608 3.619 437 HB2 PHE 54 1HB PHE 54 -9.243 -2.897 4.839 438 HB3 PHE 54 2HB PHE 54 -8.382 -1.695 5.781 439 HD1 PHE 54 HD1 PHE 54 -8.909 0.849 4.638 440 HD2 PHE 54 HD2 PHE 54 -11.602 -2.482 4.779 441 HE1 PHE 54 HE1 PHE 54 -10.793 2.426 4.602 442 HE2 PHE 54 HE2 PHE 54 -13.530 -0.881 4.772 443 HZ PHE 54 HZ PHE 54 -13.131 1.533 4.721 444 H GLU 55 H GLU 55 -7.122 -3.923 2.835 445 HA GLU 55 HA GLU 55 -4.716 -4.203 4.541 446 HB2 GLU 55 1HB GLU 55 -5.995 -6.213 2.646 447 HB3 GLU 55 2HB GLU 55 -4.659 -6.470 3.758 448 HG2 GLU 55 1HG GLU 55 -6.110 -5.948 5.688 449 HG3 GLU 55 2HG GLU 55 -7.481 -5.698 4.602 450 H ILE 56 H ILE 56 -5.451 -4.340 0.971 451 HA ILE 56 HA ILE 56 -2.875 -4.469 -0.059 452 HB ILE 56 HB ILE 56 -5.306 -2.947 -0.987 453 HG12 ILE 56 1HG1 ILE 56 -5.408 -5.410 -0.934 454 HG13 ILE 56 2HG1 ILE 56 -5.631 -4.713 -2.537 455 HG21 ILE 56 1HG2 ILE 56 -2.656 -3.213 -2.485 456 HG22 ILE 56 2HG2 ILE 56 -4.216 -2.783 -3.235 457 HG23 ILE 56 3HG2 ILE 56 -3.509 -1.723 -2.048 458 HD11 ILE 56 3HD1 ILE 56 -3.263 -5.331 -3.079 459 HD12 ILE 56 1HD1 ILE 56 -3.129 -6.083 -1.475 460 HD13 ILE 56 2HD1 ILE 56 -4.297 -6.707 -2.659 461 H ALA 57 H ALA 57 -4.582 -1.430 0.809 462 HA ALA 57 HA ALA 57 -2.367 0.287 0.310 463 HB1 ALA 57 3HB ALA 57 -4.519 1.219 0.644 464 HB2 ALA 57 1HB ALA 57 -4.716 0.445 2.236 465 HB3 ALA 57 2HB ALA 57 -3.548 1.762 2.028 466 H GLU 58 H GLU 58 -3.149 -1.471 3.372 467 HA GLU 58 HA GLU 58 -0.879 -0.466 4.839 468 HB2 GLU 58 1HB GLU 58 -2.748 -2.821 5.133 469 HB3 GLU 58 2HB GLU 58 -1.209 -2.883 5.961 470 HG2 GLU 58 1HG GLU 58 -1.973 -0.388 6.668 471 HG3 GLU 58 2HG GLU 58 -3.553 -1.099 6.408 472 H VAL 59 H VAL 59 -1.263 -3.289 2.682 473 HA VAL 59 HA VAL 59 1.218 -4.534 3.180 474 HB VAL 59 HB VAL 59 -0.358 -4.445 0.580 475 HG11 VAL 59 1HG1 VAL 59 1.525 -5.365 -0.253 476 HG12 VAL 59 2HG1 VAL 59 2.171 -5.782 1.346 477 HG13 VAL 59 3HG1 VAL 59 0.964 -6.819 0.597 478 HG21 VAL 59 3HG2 VAL 59 -1.660 -6.086 1.316 479 HG22 VAL 59 1HG2 VAL 59 -0.388 -6.884 2.280 480 HG23 VAL 59 2HG2 VAL 59 -1.255 -5.521 2.942 481 H LEU 60 H LEU 60 0.501 -2.372 0.379 482 HA LEU 60 HA LEU 60 3.238 -2.203 -0.385 483 HB2 LEU 60 1HB LEU 60 2.399 -1.260 -2.138 484 HB3 LEU 60 2HB LEU 60 0.804 -1.331 -1.460 485 HG LEU 60 HG LEU 60 2.675 1.063 -1.075 486 HD11 LEU 60 1HD1 LEU 60 1.685 2.082 -2.925 487 HD12 LEU 60 2HD1 LEU 60 0.464 0.787 -3.090 488 HD13 LEU 60 3HD1 LEU 60 2.157 0.470 -3.446 489 HD21 LEU 60 3HD2 LEU 60 0.912 1.311 0.516 490 HD22 LEU 60 1HD2 LEU 60 -0.252 0.513 -0.530 491 HD23 LEU 60 2HD2 LEU 60 0.308 2.175 -0.858 492 H ARG 61 H ARG 61 1.442 -0.334 1.959 493 HA ARG 61 HA ARG 61 3.281 1.823 2.392 494 HB2 ARG 61 1HB ARG 61 1.009 1.955 3.189 495 HB3 ARG 61 2HB ARG 61 1.166 0.480 4.089 496 HG2 ARG 61 1HG ARG 61 3.075 1.885 5.411 497 HG3 ARG 61 2HG ARG 61 2.105 3.211 4.850 498 HD2 ARG 61 1HD ARG 61 1.242 2.663 6.935 499 HD3 ARG 61 2HD ARG 61 0.080 1.966 5.797 500 HE ARG 61 HE ARG 61 1.840 -0.128 6.378 501 HH11 ARG 61 1HH1 ARG 61 -0.604 1.782 8.122 502 HH12 ARG 61 2HH1 ARG 61 -1.084 0.309 8.955 503 HH21 ARG 61 1HH2 ARG 61 1.287 -1.728 7.758 504 HH22 ARG 61 2HH2 ARG 61 -0.020 -1.437 8.916 505 H ASP 62 H ASP 62 2.907 -1.275 4.170 506 HA ASP 62 HA ASP 62 5.117 -0.912 5.926 507 HB2 ASP 62 1HB ASP 62 3.846 -3.421 4.774 508 HB3 ASP 62 2HB ASP 62 5.221 -3.470 5.878 509 H LEU 63 H LEU 63 5.072 -2.472 2.686 510 HA LEU 63 HA LEU 63 7.867 -2.879 2.429 511 HB2 LEU 63 1HB LEU 63 5.632 -2.483 0.411 512 HB3 LEU 63 2HB LEU 63 7.313 -2.573 -0.086 513 HG LEU 63 HG LEU 63 7.367 -4.745 1.439 514 HD11 LEU 63 1HD1 LEU 63 5.047 -4.655 2.260 515 HD12 LEU 63 2HD1 LEU 63 5.249 -6.051 1.201 516 HD13 LEU 63 3HD1 LEU 63 4.443 -4.609 0.583 517 HD21 LEU 63 3HD2 LEU 63 5.992 -4.908 -1.248 518 HD22 LEU 63 1HD2 LEU 63 7.095 -6.078 -0.478 519 HD23 LEU 63 2HD2 LEU 63 7.712 -4.527 -1.041 520 H TYR 64 H TYR 64 6.028 0.080 1.546 521 HA TYR 64 HA TYR 64 8.291 1.508 0.568 522 HB2 TYR 64 1HB TYR 64 5.515 2.160 1.347 523 HB3 TYR 64 2HB TYR 64 6.646 3.466 1.625 524 HD1 TYR 64 HD1 TYR 64 8.192 4.213 -0.258 525 HD2 TYR 64 HD2 TYR 64 4.787 1.677 -0.895 526 HE1 TYR 64 HE1 TYR 64 8.124 4.895 -2.643 527 HE2 TYR 64 HE2 TYR 64 4.812 2.243 -3.308 528 HH TYR 64 HH TYR 64 7.056 4.715 -4.615 529 H LEU 65 H LEU 65 6.900 1.513 3.864 530 HA LEU 65 HA LEU 65 8.925 3.335 4.891 531 HB2 LEU 65 1HB LEU 65 7.069 1.474 6.426 532 HB3 LEU 65 2HB LEU 65 7.998 2.824 7.084 533 HG LEU 65 HG LEU 65 5.564 2.926 5.280 534 HD11 LEU 65 1HD1 LEU 65 4.545 3.932 7.074 535 HD12 LEU 65 2HD1 LEU 65 6.056 4.676 7.666 536 HD13 LEU 65 3HD1 LEU 65 5.768 2.978 7.957 537 HD21 LEU 65 3HD2 LEU 65 5.861 5.397 5.220 538 HD22 LEU 65 1HD2 LEU 65 7.070 4.526 4.264 539 HD23 LEU 65 2HD2 LEU 65 7.523 5.167 5.850 540 H LEU 66 H LEU 66 8.794 -0.143 4.632 541 HA LEU 66 HA LEU 66 10.868 -0.912 6.401 542 HB2 LEU 66 1HB LEU 66 9.553 -1.971 3.926 543 HB3 LEU 66 2HB LEU 66 11.102 -2.671 4.330 544 HG LEU 66 HG LEU 66 9.013 -2.451 6.506 545 HD11 LEU 66 1HD1 LEU 66 7.807 -3.548 4.653 546 HD12 LEU 66 2HD1 LEU 66 8.203 -4.704 5.913 547 HD13 LEU 66 3HD1 LEU 66 9.153 -4.628 4.398 548 HD21 LEU 66 3HD2 LEU 66 11.362 -3.170 6.992 549 HD22 LEU 66 1HD2 LEU 66 11.189 -4.478 5.807 550 HD23 LEU 66 2HD2 LEU 66 10.195 -4.473 7.278 551 H LYS 67 H LYS 67 11.064 0.646 3.293 552 HA LYS 67 HA LYS 67 14.055 0.585 3.384 553 HB2 LYS 67 1HB LYS 67 12.266 -0.012 1.314 554 HB3 LYS 67 2HB LYS 67 12.828 1.604 0.904 555 HG2 LYS 67 1HG LYS 67 14.806 -0.554 1.723 556 HG3 LYS 67 2HG LYS 67 14.093 -0.589 0.127 557 HD2 LYS 67 1HD LYS 67 15.153 1.287 -0.625 558 HD3 LYS 67 2HD LYS 67 15.273 2.037 0.971 559 HE2 LYS 67 1HE LYS 67 17.173 0.936 1.559 560 HE3 LYS 67 2HE LYS 67 16.822 -0.491 0.580 561 HZ1 LYS 67 3HZ LYS 67 18.655 1.089 -0.235 562 HZ2 LYS 67 1HZ LYS 67 17.452 2.087 -0.722 563 HZ3 LYS 67 2HZ LYS 67 17.573 0.584 -1.348 564 H GLY 68 H GLY 68 11.325 2.809 3.344 565 HA2 GLY 68 1HA GLY 68 11.238 4.970 4.199 566 HA3 GLY 68 2HA GLY 68 12.944 4.861 4.625 567 H ASP 69 H ASP 69 11.949 4.285 1.304 568 HA ASP 69 HA ASP 69 12.403 7.012 0.404 569 HB2 ASP 69 1HB ASP 69 14.302 6.698 -0.890 570 HB3 ASP 69 2HB ASP 69 14.715 5.970 0.652 571 H LYS 70 H LYS 70 12.436 6.938 -2.148 572 HA LYS 70 HA LYS 70 9.959 5.664 -3.035 573 HB2 LYS 70 1HB LYS 70 10.340 6.880 -5.137 574 HB3 LYS 70 2HB LYS 70 10.418 7.908 -3.712 575 HG2 LYS 70 1HG LYS 70 13.060 7.395 -3.916 576 HG3 LYS 70 2HG LYS 70 12.643 7.066 -5.588 577 HD2 LYS 70 1HD LYS 70 11.831 9.647 -4.163 578 HD3 LYS 70 2HD LYS 70 13.428 9.429 -4.854 579 HE2 LYS 70 1HE LYS 70 12.737 10.023 -6.845 580 HE3 LYS 70 2HE LYS 70 11.673 8.620 -6.925 581 HZ1 LYS 70 3HZ LYS 70 10.584 10.864 -7.210 582 HZ2 LYS 70 1HZ LYS 70 10.862 11.173 -5.636 583 HZ3 LYS 70 2HZ LYS 70 9.882 9.932 -6.070 584 H ASP 71 H ASP 71 13.373 5.145 -3.710 585 HA ASP 71 HA ASP 71 12.745 2.990 -5.643 586 HB2 ASP 71 1HB ASP 71 14.336 4.809 -6.234 587 HB3 ASP 71 2HB ASP 71 15.411 4.266 -4.948 588 H LEU 72 H LEU 72 11.851 1.736 -3.861 589 HA LEU 72 HA LEU 72 13.260 0.713 -1.683 590 HB2 LEU 72 1HB LEU 72 11.243 -0.932 -3.223 591 HB3 LEU 72 2HB LEU 72 11.626 -1.013 -1.505 592 HG LEU 72 HG LEU 72 10.142 1.230 -2.926 593 HD11 LEU 72 1HD1 LEU 72 8.250 0.447 -1.650 594 HD12 LEU 72 2HD1 LEU 72 9.249 -0.756 -0.799 595 HD13 LEU 72 3HD1 LEU 72 8.949 -0.949 -2.513 596 HD21 LEU 72 3HD2 LEU 72 11.516 2.074 -0.968 597 HD22 LEU 72 1HD2 LEU 72 10.597 0.954 0.071 598 HD23 LEU 72 2HD2 LEU 72 9.779 2.260 -0.802 599 H SER 73 H SER 73 13.817 -1.680 -1.326 600 HA SER 73 HA SER 73 16.060 -2.421 -3.024 601 HB2 SER 73 1HB SER 73 14.814 -3.412 -0.528 602 HB3 SER 73 2HB SER 73 15.331 -4.721 -1.596 603 HG SER 73 HG SER 73 16.905 -2.622 -0.512 604 H PHE 74 H PHE 74 16.243 -4.145 -4.478 605 HA PHE 74 HA PHE 74 14.128 -4.682 -6.240 606 HB2 PHE 74 1HB PHE 74 16.431 -5.033 -6.863 607 HB3 PHE 74 2HB PHE 74 16.650 -6.242 -5.604 608 HD1 PHE 74 HD2 PHE 74 13.986 -5.810 -8.274 609 HD2 PHE 74 HD1 PHE 74 17.083 -8.314 -6.602 610 HE1 PHE 74 HE2 PHE 74 13.344 -7.639 -9.812 611 HE2 PHE 74 HE1 PHE 74 16.457 -10.125 -8.174 612 HZ PHE 74 HZ PHE 74 14.588 -9.795 -9.782 613 H GLY 75 H GLY 75 15.078 -6.548 -3.367 614 HA2 GLY 75 1HA GLY 75 13.303 -8.754 -3.629 615 HA3 GLY 75 2HA GLY 75 13.938 -8.124 -2.104 616 H GLU 76 H GLU 76 12.734 -5.570 -2.068 617 HA GLU 76 HA GLU 76 10.008 -6.223 -1.226 618 HB2 GLU 76 1HB GLU 76 11.318 -3.479 -1.448 619 HB3 GLU 76 2HB GLU 76 9.896 -3.932 -0.518 620 HG2 GLU 76 1HG GLU 76 11.558 -5.679 0.624 621 HG3 GLU 76 2HG GLU 76 12.802 -4.606 -0.019 622 H ARG 77 H ARG 77 11.461 -4.301 -3.830 623 HA ARG 77 HA ARG 77 9.221 -3.237 -5.092 624 HB2 ARG 77 1HB ARG 77 11.694 -2.882 -5.620 625 HB3 ARG 77 2HB ARG 77 11.625 -4.385 -6.530 626 HG2 ARG 77 1HG ARG 77 11.377 -2.781 -8.158 627 HG3 ARG 77 2HG ARG 77 9.706 -3.255 -7.905 628 HD2 ARG 77 1HD ARG 77 9.112 -1.203 -7.029 629 HD3 ARG 77 2HD ARG 77 10.674 -0.974 -6.222 630 HE ARG 77 HE ARG 77 10.988 -0.869 -9.084 631 HH11 ARG 77 1HH1 ARG 77 9.901 1.188 -6.477 632 HH12 ARG 77 2HH1 ARG 77 10.443 2.637 -7.276 633 HH21 ARG 77 1HH2 ARG 77 11.664 0.979 -10.043 634 HH22 ARG 77 2HH2 ARG 77 11.413 2.509 -9.266 635 H LYS 78 H LYS 78 10.359 -6.556 -5.343 636 HA LYS 78 HA LYS 78 8.812 -7.616 -7.452 637 HB2 LYS 78 1HB LYS 78 9.613 -8.747 -4.769 638 HB3 LYS 78 2HB LYS 78 8.798 -9.737 -5.950 639 HG2 LYS 78 1HG LYS 78 11.318 -8.284 -6.786 640 HG3 LYS 78 2HG LYS 78 11.461 -9.628 -5.661 641 HD2 LYS 78 1HD LYS 78 9.906 -10.855 -7.511 642 HD3 LYS 78 2HD LYS 78 10.612 -9.607 -8.538 643 HE2 LYS 78 1HE LYS 78 12.132 -11.345 -8.782 644 HE3 LYS 78 2HE LYS 78 12.906 -10.382 -7.518 645 HZ1 LYS 78 3HZ LYS 78 12.154 -11.951 -5.880 646 HZ2 LYS 78 1HZ LYS 78 12.747 -12.860 -7.097 647 HZ3 LYS 78 2HZ LYS 78 11.139 -12.700 -6.919 648 H MET 79 H MET 79 7.736 -7.586 -4.012 649 HA MET 79 HA MET 79 4.979 -8.277 -4.775 650 HB2 MET 79 1HB MET 79 6.100 -8.998 -2.625 651 HB3 MET 79 2HB MET 79 5.969 -7.324 -2.079 652 HG2 MET 79 1HG MET 79 3.371 -7.890 -2.884 653 HG3 MET 79 2HG MET 79 3.923 -9.466 -2.338 654 HE1 MET 79 3HE MET 79 6.026 -8.543 -0.051 655 HE2 MET 79 1HE MET 79 5.010 -8.565 1.392 656 HE3 MET 79 2HE MET 79 4.871 -9.878 0.194 657 H LEU 80 H LEU 80 6.706 -5.335 -3.698 658 HA LEU 80 HA LEU 80 4.504 -3.603 -3.397 659 HB2 LEU 80 1HB LEU 80 6.909 -3.055 -2.827 660 HB3 LEU 80 2HB LEU 80 7.220 -2.933 -4.559 661 HG LEU 80 HG LEU 80 5.117 -1.239 -4.390 662 HD11 LEU 80 1HD1 LEU 80 4.987 -0.001 -2.446 663 HD12 LEU 80 2HD1 LEU 80 6.398 -0.795 -1.713 664 HD13 LEU 80 3HD1 LEU 80 4.892 -1.688 -1.960 665 HD21 LEU 80 3HD2 LEU 80 7.052 0.565 -3.833 666 HD22 LEU 80 1HD2 LEU 80 6.721 -0.147 -5.418 667 HD23 LEU 80 2HD2 LEU 80 8.009 -0.811 -4.426 668 H ASP 81 H ASP 81 6.314 -4.352 -6.426 669 HA ASP 81 HA ASP 81 4.960 -2.678 -8.208 670 HB2 ASP 81 1HB ASP 81 6.964 -3.979 -8.738 671 HB3 ASP 81 2HB ASP 81 6.070 -5.490 -8.580 672 H THR 82 H THR 82 3.925 -5.867 -7.004 673 HA THR 82 HA THR 82 1.521 -5.978 -8.616 674 HB THR 82 HB THR 82 1.877 -7.579 -6.078 675 HG1 THR 82 HG1 THR 82 3.101 -9.053 -7.308 676 HG21 THR 82 3HG2 THR 82 -0.174 -7.884 -7.477 677 HG22 THR 82 1HG2 THR 82 0.844 -9.338 -7.501 678 HG23 THR 82 2HG2 THR 82 0.849 -8.230 -8.886 679 H ALA 83 H ALA 83 2.163 -5.215 -5.153 680 HA ALA 83 HA ALA 83 -0.561 -4.662 -4.471 681 HB1 ALA 83 3HB ALA 83 1.817 -3.452 -3.050 682 HB2 ALA 83 1HB ALA 83 0.249 -3.990 -2.381 683 HB3 ALA 83 2HB ALA 83 1.445 -5.182 -2.926 684 H ARG 84 H ARG 84 1.974 -2.524 -5.691 685 HA ARG 84 HA ARG 84 0.740 0.045 -5.471 686 HB2 ARG 84 1HB ARG 84 2.684 -1.201 -7.458 687 HB3 ARG 84 2HB ARG 84 2.112 0.436 -7.699 688 HG2 ARG 84 1HG ARG 84 3.283 -0.332 -5.038 689 HG3 ARG 84 2HG ARG 84 4.356 -0.090 -6.402 690 HD2 ARG 84 1HD ARG 84 2.523 2.160 -6.345 691 HD3 ARG 84 2HD ARG 84 3.124 1.912 -4.722 692 HE ARG 84 HE ARG 84 5.175 2.732 -5.349 693 HH11 ARG 84 1HH1 ARG 84 3.582 1.871 -8.334 694 HH12 ARG 84 2HH1 ARG 84 4.929 2.405 -9.297 695 HH21 ARG 84 1HH2 ARG 84 6.800 3.358 -6.557 696 HH22 ARG 84 2HH2 ARG 84 6.739 3.249 -8.302 697 H SER 85 H SER 85 0.608 -2.298 -8.132 698 HA SER 85 HA SER 85 -1.235 -0.873 -9.749 699 HB2 SER 85 1HB SER 85 0.180 -3.257 -9.980 700 HB3 SER 85 2HB SER 85 -1.502 -3.801 -9.959 701 HG SER 85 HG SER 85 -1.898 -2.194 -11.629 702 H LEU 86 H LEU 86 -1.841 -2.676 -6.835 703 HA LEU 86 HA LEU 86 -4.758 -2.747 -7.309 704 HB2 LEU 86 1HB LEU 86 -2.999 -3.856 -5.097 705 HB3 LEU 86 2HB LEU 86 -4.760 -3.954 -5.069 706 HG LEU 86 HG LEU 86 -3.252 -5.013 -7.475 707 HD11 LEU 86 1HD1 LEU 86 -2.252 -6.015 -5.449 708 HD12 LEU 86 2HD1 LEU 86 -3.117 -7.189 -6.461 709 HD13 LEU 86 3HD1 LEU 86 -3.862 -6.594 -4.967 710 HD21 LEU 86 3HD2 LEU 86 -5.857 -4.719 -7.216 711 HD22 LEU 86 1HD2 LEU 86 -5.754 -6.134 -6.185 712 HD23 LEU 86 2HD2 LEU 86 -5.206 -6.248 -7.869 713 H LEU 87 H LEU 87 -2.420 -1.086 -5.240 714 HA LEU 87 HA LEU 87 -4.068 0.313 -3.478 715 HB2 LEU 87 1HB LEU 87 -1.623 0.409 -3.441 716 HB3 LEU 87 2HB LEU 87 -1.594 1.243 -4.994 717 HG LEU 87 HG LEU 87 -2.992 3.116 -3.839 718 HD11 LEU 87 1HD1 LEU 87 -2.416 3.288 -1.374 719 HD12 LEU 87 2HD1 LEU 87 -1.898 1.597 -1.459 720 HD13 LEU 87 3HD1 LEU 87 -3.580 2.002 -1.772 721 HD21 LEU 87 3HD2 LEU 87 -0.469 3.081 -4.520 722 HD22 LEU 87 1HD2 LEU 87 -0.259 3.044 -2.757 723 HD23 LEU 87 2HD2 LEU 87 -1.162 4.346 -3.500 724 H ILE 88 H ILE 88 -2.988 1.497 -6.681 725 HA ILE 88 HA ILE 88 -4.858 3.672 -6.594 726 HB ILE 88 HB ILE 88 -4.114 4.416 -8.607 727 HG12 ILE 88 1HG1 ILE 88 -4.504 2.490 -10.060 728 HG13 ILE 88 2HG1 ILE 88 -2.916 3.211 -10.329 729 HG21 ILE 88 1HG2 ILE 88 -2.370 4.377 -6.847 730 HG22 ILE 88 2HG2 ILE 88 -1.669 2.951 -7.593 731 HG23 ILE 88 3HG2 ILE 88 -1.777 4.479 -8.510 732 HD11 ILE 88 3HD1 ILE 88 -1.826 1.407 -9.206 733 HD12 ILE 88 1HD1 ILE 88 -3.386 0.746 -8.643 734 HD13 ILE 88 2HD1 ILE 88 -2.969 0.723 -10.369 735 H LYS 89 H LYS 89 -5.321 0.450 -7.480 736 HA LYS 89 HA LYS 89 -7.418 0.724 -9.491 737 HB2 LYS 89 1HB LYS 89 -6.054 -1.246 -9.477 738 HB3 LYS 89 2HB LYS 89 -6.500 -1.638 -7.816 739 HG2 LYS 89 1HG LYS 89 -8.518 -2.504 -8.346 740 HG3 LYS 89 2HG LYS 89 -8.775 -1.408 -9.701 741 HD2 LYS 89 1HD LYS 89 -8.609 -3.576 -10.600 742 HD3 LYS 89 2HD LYS 89 -7.145 -2.696 -11.066 743 HE2 LYS 89 1HE LYS 89 -5.827 -3.880 -9.418 744 HE3 LYS 89 2HE LYS 89 -7.276 -4.606 -8.696 745 HZ1 LYS 89 3HZ LYS 89 -5.921 -6.004 -10.375 746 HZ2 LYS 89 1HZ LYS 89 -6.653 -5.118 -11.533 747 HZ3 LYS 89 2HZ LYS 89 -7.546 -6.019 -10.506 748 H GLU 90 H GLU 90 -7.498 -0.155 -6.052 749 HA GLU 90 HA GLU 90 -10.414 -0.022 -5.851 750 HB2 GLU 90 1HB GLU 90 -9.996 -0.377 -3.462 751 HB3 GLU 90 2HB GLU 90 -9.106 -1.492 -4.498 752 HG2 GLU 90 1HG GLU 90 -7.195 0.404 -4.232 753 HG3 GLU 90 2HG GLU 90 -8.093 0.768 -2.788 754 H LEU 91 H LEU 91 -7.748 2.117 -4.713 755 HA LEU 91 HA LEU 91 -9.477 4.208 -3.805 756 HB2 LEU 91 1HB LEU 91 -6.528 4.161 -4.577 757 HB3 LEU 91 2HB LEU 91 -7.327 5.543 -3.811 758 HG LEU 91 HG LEU 91 -6.962 2.766 -2.600 759 HD11 LEU 91 1HD1 LEU 91 -4.852 3.753 -2.681 760 HD12 LEU 91 2HD1 LEU 91 -5.408 4.140 -1.053 761 HD13 LEU 91 3HD1 LEU 91 -5.447 5.372 -2.330 762 HD21 LEU 91 3HD2 LEU 91 -7.532 4.910 -0.696 763 HD22 LEU 91 1HD2 LEU 91 -8.293 3.316 -0.905 764 HD23 LEU 91 2HD2 LEU 91 -8.837 4.692 -1.850 765 H SER 92 H SER 92 -8.563 3.339 -6.997 766 HA SER 92 HA SER 92 -8.541 5.552 -8.509 767 HB2 SER 92 1HB SER 92 -8.842 4.217 -10.288 768 HB3 SER 92 2HB SER 92 -8.839 2.914 -9.119 769 HG SER 92 HG SER 92 -10.581 2.820 -10.598 770 H LEU 93 H LEU 93 -11.413 4.353 -7.003 771 HA LEU 93 HA LEU 93 -13.380 5.849 -8.289 772 HB2 LEU 93 1HB LEU 93 -13.476 3.905 -6.516 773 HB3 LEU 93 2HB LEU 93 -13.442 5.182 -5.317 774 HG LEU 93 HG LEU 93 -15.686 4.411 -5.713 775 HD11 LEU 93 1HD1 LEU 93 -15.290 6.881 -5.281 776 HD12 LEU 93 2HD1 LEU 93 -16.848 6.449 -6.013 777 HD13 LEU 93 3HD1 LEU 93 -15.568 7.141 -7.020 778 HD21 LEU 93 3HD2 LEU 93 -15.475 5.324 -8.608 779 HD22 LEU 93 1HD2 LEU 93 -16.839 4.515 -7.816 780 HD23 LEU 93 2HD2 LEU 93 -15.320 3.638 -8.072 781 H ALA 94 H ALA 94 -11.863 6.717 -5.176 782 HA ALA 94 HA ALA 94 -12.968 9.396 -5.127 783 HB1 ALA 94 3HB ALA 94 -12.234 8.087 -3.126 784 HB2 ALA 94 1HB ALA 94 -10.550 8.314 -3.676 785 HB3 ALA 94 2HB ALA 94 -11.526 9.712 -3.197 786 H LYS 95 H LYS 95 -10.082 8.016 -6.547 787 HA LYS 95 HA LYS 95 -8.519 10.374 -6.964 788 HB2 LYS 95 1HB LYS 95 -7.221 8.672 -7.477 789 HB3 LYS 95 2HB LYS 95 -8.546 7.607 -7.919 790 HG2 LYS 95 1HG LYS 95 -8.599 8.484 -10.169 791 HG3 LYS 95 2HG LYS 95 -7.386 9.718 -9.742 792 HD2 LYS 95 1HD LYS 95 -6.032 8.238 -10.746 793 HD3 LYS 95 2HD LYS 95 -5.907 7.582 -9.156 794 HE2 LYS 95 1HE LYS 95 -8.156 6.279 -10.336 795 HE3 LYS 95 2HE LYS 95 -7.098 6.584 -11.698 796 HZ1 LYS 95 3HZ LYS 95 -6.502 4.858 -9.350 797 HZ2 LYS 95 1HZ LYS 95 -5.300 5.449 -10.301 798 HZ3 LYS 95 2HZ LYS 95 -6.455 4.486 -10.928 799 H ASP 96 H ASP 96 -10.885 8.834 -9.136 800 HA ASP 96 HA ASP 96 -11.895 9.549 -11.065 801 HB2 ASP 96 1HB ASP 96 -13.010 10.761 -9.095 802 HB3 ASP 96 2HB ASP 96 -12.209 12.213 -9.667 803 H CYS 97 H CYS 97 -9.109 9.683 -11.329 804 HA CYS 97 HA CYS 97 -8.637 11.578 -13.469 805 HB2 CYS 97 1HB CYS 97 -8.237 12.604 -10.915 806 HB3 CYS 97 2HB CYS 97 -6.622 12.021 -11.320 807 HG CYS 97 HG CYS 97 -8.684 13.994 -13.010 808 H SER 98 H SER 98 -5.923 11.592 -13.641 809 HA SER 98 HA SER 98 -5.140 9.022 -14.655 810 HB2 SER 98 1HB SER 98 -3.600 11.518 -13.831 811 HB3 SER 98 2HB SER 98 -2.787 10.082 -14.472 812 HG SER 98 HG SER 98 -3.248 11.515 -16.152 813 H GLU 99 H GLU 99 -3.740 7.415 -13.794 814 HA GLU 99 HA GLU 99 -3.945 6.714 -11.077 815 HB2 GLU 99 1HB GLU 99 -1.827 5.927 -13.109 816 HB3 GLU 99 2HB GLU 99 -1.939 5.236 -11.474 817 HG2 GLU 99 1HG GLU 99 -4.250 4.515 -11.923 818 HG3 GLU 99 2HG GLU 99 -4.148 5.127 -13.576 819 H ASP 100 H ASP 100 -1.564 8.824 -12.481 820 HA ASP 100 HA ASP 100 0.369 9.063 -10.475 821 HB2 ASP 100 1HB ASP 100 -0.840 10.987 -12.468 822 HB3 ASP 100 2HB ASP 100 0.253 11.602 -11.242 823 H GLU 101 H GLU 101 -3.032 10.126 -10.260 824 HA GLU 101 HA GLU 101 -2.743 12.008 -8.134 825 HB2 GLU 101 1HB GLU 101 -4.792 11.797 -9.378 826 HB3 GLU 101 2HB GLU 101 -4.995 10.115 -8.928 827 HG2 GLU 101 1HG GLU 101 -5.816 10.539 -6.896 828 HG3 GLU 101 2HG GLU 101 -4.708 11.857 -6.558 829 H ILE 102 H ILE 102 -3.471 8.486 -7.940 830 HA ILE 102 HA ILE 102 -3.004 8.458 -5.031 831 HB ILE 102 HB ILE 102 -3.627 6.229 -6.932 832 HG12 ILE 102 1HG1 ILE 102 -5.563 7.275 -4.851 833 HG13 ILE 102 2HG1 ILE 102 -5.379 8.198 -6.333 834 HG21 ILE 102 1HG2 ILE 102 -3.589 6.317 -3.870 835 HG22 ILE 102 2HG2 ILE 102 -4.238 4.973 -4.831 836 HG23 ILE 102 3HG2 ILE 102 -2.524 5.362 -4.903 837 HD11 ILE 102 3HD1 ILE 102 -7.171 6.580 -6.550 838 HD12 ILE 102 1HD1 ILE 102 -5.852 6.153 -7.667 839 HD13 ILE 102 2HD1 ILE 102 -6.083 5.254 -6.207 840 H GLU 103 H GLU 103 -1.267 7.376 -7.967 841 HA GLU 103 HA GLU 103 0.837 5.936 -6.680 842 HB2 GLU 103 1HB GLU 103 0.338 7.082 -9.363 843 HB3 GLU 103 2HB GLU 103 2.037 7.023 -8.940 844 HG2 GLU 103 1HG GLU 103 2.112 4.721 -8.752 845 HG3 GLU 103 2HG GLU 103 0.401 4.563 -8.418 846 H SER 104 H SER 104 0.723 9.443 -7.687 847 HA SER 104 HA SER 104 3.262 9.994 -6.358 848 HB2 SER 104 1HB SER 104 1.189 11.958 -7.379 849 HB3 SER 104 2HB SER 104 2.815 12.337 -6.812 850 HG SER 104 HG SER 104 2.590 12.075 -9.154 851 H ASP 105 H ASP 105 -0.144 9.958 -5.267 852 HA ASP 105 HA ASP 105 0.220 11.627 -3.000 853 HB2 ASP 105 1HB ASP 105 -1.752 9.597 -3.820 854 HB3 ASP 105 2HB ASP 105 -1.514 9.644 -2.096 855 H LEU 106 H LEU 106 1.507 8.421 -3.540 856 HA LEU 106 HA LEU 106 2.084 7.631 -0.893 857 HB2 LEU 106 1HB LEU 106 3.850 7.278 -3.354 858 HB3 LEU 106 2HB LEU 106 3.930 6.319 -1.882 859 HG LEU 106 HG LEU 106 1.598 6.412 -3.828 860 HD11 LEU 106 1HD1 LEU 106 2.267 4.328 -4.632 861 HD12 LEU 106 2HD1 LEU 106 3.353 4.028 -3.251 862 HD13 LEU 106 3HD1 LEU 106 3.788 5.218 -4.488 863 HD21 LEU 106 3HD2 LEU 106 1.515 5.657 -1.081 864 HD22 LEU 106 1HD2 LEU 106 1.480 4.174 -2.007 865 HD23 LEU 106 2HD2 LEU 106 0.294 5.464 -2.314 866 H LYS 107 H LYS 107 3.961 9.927 -2.939 867 HA LYS 107 HA LYS 107 6.058 10.283 -1.004 868 HB2 LYS 107 1HB LYS 107 6.788 12.076 -2.323 869 HB3 LYS 107 2HB LYS 107 6.208 10.841 -3.426 870 HG2 LYS 107 1HG LYS 107 4.780 12.285 -4.398 871 HG3 LYS 107 2HG LYS 107 4.000 12.658 -2.861 872 HD2 LYS 107 1HD LYS 107 4.787 14.714 -3.752 873 HD3 LYS 107 2HD LYS 107 5.841 14.297 -2.387 874 HE2 LYS 107 1HE LYS 107 7.010 12.972 -4.556 875 HE3 LYS 107 2HE LYS 107 6.403 14.438 -5.322 876 HZ1 LYS 107 3HZ LYS 107 8.074 15.601 -4.374 877 HZ2 LYS 107 1HZ LYS 107 8.732 14.205 -3.846 878 HZ3 LYS 107 2HZ LYS 107 7.728 15.065 -2.876 879 H LYS 108 H LYS 108 2.784 11.497 -1.030 880 HA LYS 108 HA LYS 108 3.291 13.604 0.968 881 HB2 LYS 108 1HB LYS 108 1.729 13.774 -1.086 882 HB3 LYS 108 2HB LYS 108 0.665 12.644 -0.253 883 HG2 LYS 108 1HG LYS 108 1.426 14.783 1.568 884 HG3 LYS 108 2HG LYS 108 0.892 15.491 0.055 885 HD2 LYS 108 1HD LYS 108 -0.745 13.329 1.432 886 HD3 LYS 108 2HD LYS 108 -0.867 15.033 1.925 887 HE2 LYS 108 1HE LYS 108 -1.416 15.690 -0.401 888 HE3 LYS 108 2HE LYS 108 -1.281 14.011 -0.906 889 HZ1 LYS 108 3HZ LYS 108 -3.300 15.067 1.000 890 HZ2 LYS 108 1HZ LYS 108 -3.148 13.485 0.579 891 HZ3 LYS 108 2HZ LYS 108 -3.580 14.581 -0.537 892 H ILE 109 H ILE 109 2.423 10.267 0.854 893 HA ILE 109 HA ILE 109 1.259 10.276 3.591 894 HB ILE 109 HB ILE 109 1.573 8.014 1.622 895 HG12 ILE 109 1HG1 ILE 109 -1.119 9.241 2.345 896 HG13 ILE 109 2HG1 ILE 109 -0.188 9.987 1.077 897 HG21 ILE 109 1HG2 ILE 109 -0.477 7.612 3.649 898 HG22 ILE 109 2HG2 ILE 109 0.987 6.680 3.282 899 HG23 ILE 109 3HG2 ILE 109 1.036 8.016 4.426 900 HD11 ILE 109 3HD1 ILE 109 -1.903 8.175 0.393 901 HD12 ILE 109 1HD1 ILE 109 -0.293 8.101 -0.341 902 HD13 ILE 109 2HD1 ILE 109 -0.699 7.000 0.962 903 H PHE 110 H PHE 110 3.659 8.214 1.877 904 HA PHE 110 HA PHE 110 4.942 7.416 4.348 905 HB2 PHE 110 1HB PHE 110 5.990 7.065 1.554 906 HB3 PHE 110 2HB PHE 110 6.346 6.081 2.932 907 HD1 PHE 110 HD1 PHE 110 3.394 5.614 3.924 908 HD2 PHE 110 HD2 PHE 110 5.256 5.500 0.024 909 HE1 PHE 110 HE1 PHE 110 1.582 4.177 3.043 910 HE2 PHE 110 HE2 PHE 110 3.475 4.012 -0.784 911 HZ PHE 110 HZ PHE 110 1.582 3.416 0.715 912 H ASN 111 H ASN 111 5.272 10.164 2.398 913 HA ASN 111 HA ASN 111 6.763 11.879 2.205 914 HB2 ASN 111 1HB ASN 111 6.095 11.918 4.612 915 HB3 ASN 111 2HB ASN 111 7.615 11.109 4.998 916 HD21 ASN 111 2HD2 ASN 111 9.570 12.337 4.866 917 HD22 ASN 111 1HD2 ASN 111 9.521 14.084 4.646 918 H LEU 112 H LEU 112 7.644 10.197 0.595 919 HA LEU 112 HA LEU 112 10.327 9.161 1.095 920 HB2 LEU 112 1HB LEU 112 8.800 9.496 -1.526 921 HB3 LEU 112 2HB LEU 112 10.295 8.600 -1.304 922 HG LEU 112 HG LEU 112 8.877 6.850 -1.290 923 HD11 LEU 112 1HD1 LEU 112 8.490 7.604 1.633 924 HD12 LEU 112 2HD1 LEU 112 9.928 6.813 0.967 925 HD13 LEU 112 3HD1 LEU 112 8.361 6.001 0.918 926 HD21 LEU 112 3HD2 LEU 112 6.605 6.842 -0.721 927 HD22 LEU 112 1HD2 LEU 112 6.912 8.237 -1.725 928 HD23 LEU 112 2HD2 LEU 112 6.700 8.449 0.034 929 H ALA 113 H ALA 113 9.121 12.182 -0.003 930 HA ALA 113 HA ALA 113 11.271 13.123 -1.611 931 HB1 ALA 113 3HB ALA 113 10.120 15.138 -1.627 932 HB2 ALA 113 1HB ALA 113 8.803 14.019 -1.191 933 HB3 ALA 113 2HB ALA 113 9.590 14.995 0.058 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -15.889 -5.728 21.673 2 H2 GLY 1 2H GLY 1 -17.517 -5.787 21.853 3 H3 GLY 1 3H GLY 1 -16.571 -6.945 22.528 4 HA2 GLY 1 1HA GLY 1 -17.624 -7.850 20.583 5 HA3 GLY 1 2HA GLY 1 -16.976 -6.493 19.644 6 H SER 2 H SER 2 -16.146 -8.326 18.338 7 HA SER 2 HA SER 2 -13.347 -8.976 19.105 8 HB2 SER 2 1HB SER 2 -15.319 -11.021 17.991 9 HB3 SER 2 2HB SER 2 -13.585 -11.271 18.230 10 HG SER 2 HG SER 2 -15.632 -11.387 20.047 11 H HIS 3 H HIS 3 -12.000 -9.462 17.300 12 HA HIS 3 HA HIS 3 -13.016 -8.858 14.552 13 HB2 HIS 3 1HB HIS 3 -10.570 -7.649 15.899 14 HB3 HIS 3 2HB HIS 3 -10.783 -7.698 14.155 15 HD1 HIS 3 HD1 HIS 3 -11.664 -5.538 17.045 16 HD2 HIS 3 HD2 HIS 3 -13.085 -6.423 13.162 17 HE1 HIS 3 HE1 HIS 3 -13.203 -3.581 16.363 18 HE2 HIS 3 HE2 HIS 3 -14.067 -4.129 14.000 19 H MET 4 H MET 4 -12.899 -10.751 13.599 20 HA MET 4 HA MET 4 -10.307 -12.202 13.472 21 HB2 MET 4 1HB MET 4 -12.593 -13.195 14.879 22 HB3 MET 4 2HB MET 4 -12.581 -14.042 13.342 23 HG2 MET 4 1HG MET 4 -11.301 -15.404 14.701 24 HG3 MET 4 2HG MET 4 -10.072 -14.506 13.813 25 HE1 MET 4 3HE MET 4 -8.570 -15.224 17.419 26 HE2 MET 4 1HE MET 4 -9.654 -16.248 16.454 27 HE3 MET 4 2HE MET 4 -8.299 -15.401 15.671 28 H GLY 5 H GLY 5 -10.064 -13.519 11.555 29 HA2 GLY 5 1HA GLY 5 -10.162 -13.889 9.272 30 HA3 GLY 5 2HA GLY 5 -11.895 -13.560 9.346 31 H SER 6 H SER 6 -11.436 -12.628 7.186 32 HA SER 6 HA SER 6 -9.998 -10.123 6.872 33 HB2 SER 6 1HB SER 6 -12.173 -11.477 5.221 34 HB3 SER 6 2HB SER 6 -11.344 -9.993 4.725 35 HG SER 6 HG SER 6 -9.410 -11.085 4.647 36 H VAL 7 H VAL 7 -10.992 -8.070 6.335 37 HA VAL 7 HA VAL 7 -12.845 -7.043 8.205 38 HB VAL 7 HB VAL 7 -11.194 -5.700 7.054 39 HG11 VAL 7 1HG1 VAL 7 -11.451 -4.927 4.776 40 HG12 VAL 7 2HG1 VAL 7 -11.325 -6.690 4.798 41 HG13 VAL 7 3HG1 VAL 7 -12.908 -5.921 4.550 42 HG21 VAL 7 3HG2 VAL 7 -13.969 -4.618 6.439 43 HG22 VAL 7 1HG2 VAL 7 -13.161 -4.552 8.023 44 HG23 VAL 7 2HG2 VAL 7 -12.472 -3.691 6.638 45 H GLY 8 H GLY 8 -13.508 -8.489 5.088 46 HA2 GLY 8 1HA GLY 8 -15.756 -9.657 5.109 47 HA3 GLY 8 2HA GLY 8 -16.468 -8.075 5.420 48 H LEU 9 H LEU 9 -15.206 -6.405 3.731 49 HA LEU 9 HA LEU 9 -16.233 -7.110 1.089 50 HB2 LEU 9 1HB LEU 9 -15.649 -4.825 0.504 51 HB3 LEU 9 2HB LEU 9 -16.595 -4.873 1.967 52 HG LEU 9 HG LEU 9 -13.657 -4.902 2.460 53 HD11 LEU 9 1HD1 LEU 9 -13.659 -3.439 0.519 54 HD12 LEU 9 2HD1 LEU 9 -13.417 -2.474 1.994 55 HD13 LEU 9 3HD1 LEU 9 -15.004 -2.499 1.197 56 HD21 LEU 9 3HD2 LEU 9 -15.524 -4.541 4.193 57 HD22 LEU 9 1HD2 LEU 9 -15.697 -2.923 3.487 58 HD23 LEU 9 2HD2 LEU 9 -14.151 -3.418 4.207 59 H ARG 10 H ARG 10 -14.646 -6.085 -0.688 60 HA ARG 10 HA ARG 10 -12.079 -7.663 -0.664 61 HB2 ARG 10 1HB ARG 10 -14.157 -7.484 -2.891 62 HB3 ARG 10 2HB ARG 10 -12.542 -8.150 -3.101 63 HG2 ARG 10 1HG ARG 10 -14.665 -9.274 -1.216 64 HG3 ARG 10 2HG ARG 10 -14.280 -9.857 -2.834 65 HD2 ARG 10 1HD ARG 10 -11.787 -9.885 -1.695 66 HD3 ARG 10 2HD ARG 10 -12.792 -10.225 -0.276 67 HE ARG 10 HE ARG 10 -13.799 -11.962 -2.151 68 HH11 ARG 10 1HH1 ARG 10 -10.538 -11.481 -1.019 69 HH12 ARG 10 2HH1 ARG 10 -10.002 -13.028 -1.633 70 HH21 ARG 10 1HH2 ARG 10 -13.078 -13.947 -2.838 71 HH22 ARG 10 2HH2 ARG 10 -11.428 -14.410 -2.555 72 H GLU 11 H GLU 11 -13.553 -5.498 -3.020 73 HA GLU 11 HA GLU 11 -11.317 -3.537 -2.744 74 HB2 GLU 11 1HB GLU 11 -11.524 -5.558 -4.866 75 HB3 GLU 11 2HB GLU 11 -11.453 -3.923 -5.516 76 HG2 GLU 11 1HG GLU 11 -9.386 -3.455 -4.436 77 HG3 GLU 11 2HG GLU 11 -9.467 -4.909 -3.436 78 H ILE 12 H ILE 12 -14.378 -4.393 -4.325 79 HA ILE 12 HA ILE 12 -15.011 -1.858 -5.367 80 HB ILE 12 HB ILE 12 -16.163 -3.777 -6.127 81 HG12 ILE 12 1HG1 ILE 12 -18.512 -3.057 -6.028 82 HG13 ILE 12 2HG1 ILE 12 -18.168 -2.003 -4.661 83 HG21 ILE 12 1HG2 ILE 12 -16.317 -4.716 -3.506 84 HG22 ILE 12 2HG2 ILE 12 -17.980 -4.265 -3.849 85 HG23 ILE 12 3HG2 ILE 12 -17.138 -5.402 -4.916 86 HD11 ILE 12 3HD1 ILE 12 -18.324 -0.747 -6.773 87 HD12 ILE 12 1HD1 ILE 12 -16.703 -0.597 -6.093 88 HD13 ILE 12 2HD1 ILE 12 -16.991 -1.700 -7.460 89 H ILE 13 H ILE 13 -15.016 -0.070 -4.308 90 HA ILE 13 HA ILE 13 -16.684 0.335 -1.904 91 HB ILE 13 HB ILE 13 -14.888 1.625 -0.836 92 HG12 ILE 13 1HG1 ILE 13 -12.461 0.747 -1.538 93 HG13 ILE 13 2HG1 ILE 13 -13.170 0.662 -3.134 94 HG21 ILE 13 1HG2 ILE 13 -15.462 -0.710 -0.233 95 HG22 ILE 13 2HG2 ILE 13 -14.046 -1.244 -1.173 96 HG23 ILE 13 3HG2 ILE 13 -13.847 -0.181 0.233 97 HD11 ILE 13 3HD1 ILE 13 -11.953 2.758 -2.733 98 HD12 ILE 13 1HD1 ILE 13 -13.668 3.083 -3.056 99 HD13 ILE 13 2HD1 ILE 13 -13.018 3.159 -1.398 100 H SER 14 H SER 14 -16.529 2.744 -1.288 101 HA SER 14 HA SER 14 -16.790 4.515 -3.672 102 HB2 SER 14 1HB SER 14 -18.574 5.672 -2.498 103 HB3 SER 14 2HB SER 14 -18.981 3.955 -2.625 104 HG SER 14 HG SER 14 -19.078 3.929 -0.523 105 H GLU 15 H GLU 15 -16.753 6.902 -2.761 106 HA GLU 15 HA GLU 15 -14.194 7.603 -1.915 107 HB2 GLU 15 1HB GLU 15 -15.831 9.047 -3.014 108 HB3 GLU 15 2HB GLU 15 -16.819 9.089 -1.563 109 HG2 GLU 15 1HG GLU 15 -14.044 9.966 -1.027 110 HG3 GLU 15 2HG GLU 15 -14.764 10.861 -2.345 111 H GLU 16 H GLU 16 -16.843 6.585 0.167 112 HA GLU 16 HA GLU 16 -16.030 7.578 2.706 113 HB2 GLU 16 1HB GLU 16 -17.365 4.954 1.926 114 HB3 GLU 16 2HB GLU 16 -17.131 5.490 3.595 115 HG2 GLU 16 1HG GLU 16 -18.467 7.512 3.172 116 HG3 GLU 16 2HG GLU 16 -18.681 7.041 1.481 117 H ASP 17 H ASP 17 -15.157 4.399 1.265 118 HA ASP 17 HA ASP 17 -13.214 3.711 3.306 119 HB2 ASP 17 1HB ASP 17 -13.999 1.891 2.118 120 HB3 ASP 17 2HB ASP 17 -13.918 2.749 0.577 121 H VAL 18 H VAL 18 -12.974 5.316 0.090 122 HA VAL 18 HA VAL 18 -10.186 5.463 0.005 123 HB VAL 18 HB VAL 18 -12.036 7.566 -1.144 124 HG11 VAL 18 1HG1 VAL 18 -10.016 8.617 -1.362 125 HG12 VAL 18 2HG1 VAL 18 -9.072 7.132 -1.266 126 HG13 VAL 18 3HG1 VAL 18 -9.868 7.549 -2.774 127 HG21 VAL 18 3HG2 VAL 18 -11.550 6.192 -3.278 128 HG22 VAL 18 1HG2 VAL 18 -10.999 4.908 -2.182 129 HG23 VAL 18 2HG2 VAL 18 -12.665 5.496 -2.109 130 H LYS 19 H LYS 19 -12.408 7.591 1.799 131 HA LYS 19 HA LYS 19 -10.277 9.374 2.743 132 HB2 LYS 19 1HB LYS 19 -13.093 8.833 3.782 133 HB3 LYS 19 2HB LYS 19 -12.044 10.104 4.395 134 HG2 LYS 19 1HG LYS 19 -12.988 9.872 1.497 135 HG3 LYS 19 2HG LYS 19 -13.748 10.873 2.710 136 HD2 LYS 19 1HD LYS 19 -10.924 11.168 1.585 137 HD3 LYS 19 2HD LYS 19 -12.313 12.169 1.203 138 HE2 LYS 19 1HE LYS 19 -10.871 11.982 3.878 139 HE3 LYS 19 2HE LYS 19 -10.857 13.335 2.743 140 HZ1 LYS 19 3HZ LYS 19 -13.129 12.443 4.420 141 HZ2 LYS 19 1HZ LYS 19 -13.367 13.406 3.121 142 HZ3 LYS 19 2HZ LYS 19 -12.443 13.921 4.364 143 H GLN 20 H GLN 20 -11.784 6.459 4.135 144 HA GLN 20 HA GLN 20 -10.317 6.616 6.637 145 HB2 GLN 20 1HB GLN 20 -12.372 5.456 6.633 146 HB3 GLN 20 2HB GLN 20 -11.865 4.352 5.347 147 HG2 GLN 20 1HG GLN 20 -10.330 3.201 6.765 148 HG3 GLN 20 2HG GLN 20 -10.296 4.521 7.941 149 HE21 GLN 20 2HE2 GLN 20 -10.612 2.690 9.505 150 HE22 GLN 20 1HE2 GLN 20 -12.281 2.223 9.808 151 H VAL 21 H VAL 21 -9.788 4.564 3.730 152 HA VAL 21 HA VAL 21 -7.461 3.249 4.652 153 HB VAL 21 HB VAL 21 -8.848 2.619 2.714 154 HG11 VAL 21 1HG1 VAL 21 -7.250 4.531 1.019 155 HG12 VAL 21 2HG1 VAL 21 -8.784 3.650 0.692 156 HG13 VAL 21 3HG1 VAL 21 -8.772 5.041 1.756 157 HG21 VAL 21 3HG2 VAL 21 -5.895 2.890 2.052 158 HG22 VAL 21 1HG2 VAL 21 -6.634 1.587 3.013 159 HG23 VAL 21 2HG2 VAL 21 -7.059 1.777 1.300 160 H TYR 22 H TYR 22 -7.702 6.440 3.028 161 HA TYR 22 HA TYR 22 -4.905 6.969 2.892 162 HB2 TYR 22 1HB TYR 22 -7.378 8.605 2.772 163 HB3 TYR 22 2HB TYR 22 -5.915 9.437 3.260 164 HD1 TYR 22 HD1 TYR 22 -7.203 7.151 0.582 165 HD2 TYR 22 HD2 TYR 22 -4.262 10.083 1.703 166 HE1 TYR 22 HE1 TYR 22 -6.558 7.396 -1.804 167 HE2 TYR 22 HE2 TYR 22 -3.497 10.199 -0.664 168 HH TYR 22 HH TYR 22 -5.143 8.376 -3.281 169 H SER 23 H SER 23 -7.148 7.271 5.611 170 HA SER 23 HA SER 23 -5.249 8.595 7.398 171 HB2 SER 23 1HB SER 23 -7.536 9.019 7.749 172 HB3 SER 23 2HB SER 23 -7.960 7.306 7.775 173 HG SER 23 HG SER 23 -7.886 8.093 9.874 174 H ILE 24 H ILE 24 -6.142 5.221 6.720 175 HA ILE 24 HA ILE 24 -4.811 3.966 8.926 176 HB ILE 24 HB ILE 24 -5.291 2.885 6.120 177 HG12 ILE 24 1HG1 ILE 24 -6.816 2.455 8.735 178 HG13 ILE 24 2HG1 ILE 24 -7.336 3.486 7.410 179 HG21 ILE 24 1HG2 ILE 24 -3.492 1.586 7.117 180 HG22 ILE 24 2HG2 ILE 24 -4.402 1.419 8.639 181 HG23 ILE 24 3HG2 ILE 24 -4.959 0.636 7.150 182 HD11 ILE 24 3HD1 ILE 24 -7.176 1.358 5.926 183 HD12 ILE 24 1HD1 ILE 24 -7.217 0.478 7.467 184 HD13 ILE 24 2HD1 ILE 24 -8.556 1.552 7.034 185 H LEU 25 H LEU 25 -3.539 4.613 5.618 186 HA LEU 25 HA LEU 25 -0.866 3.842 6.531 187 HB2 LEU 25 1HB LEU 25 -0.439 4.812 4.057 188 HB3 LEU 25 2HB LEU 25 -0.750 3.157 4.476 189 HG LEU 25 HG LEU 25 -3.162 3.494 3.845 190 HD11 LEU 25 1HD1 LEU 25 -1.971 6.081 2.748 191 HD12 LEU 25 2HD1 LEU 25 -3.197 5.954 4.003 192 HD13 LEU 25 3HD1 LEU 25 -3.572 5.433 2.342 193 HD21 LEU 25 3HD2 LEU 25 -0.952 3.978 1.803 194 HD22 LEU 25 1HD2 LEU 25 -2.618 3.545 1.397 195 HD23 LEU 25 2HD2 LEU 25 -1.618 2.421 2.335 196 H LYS 26 H LYS 26 -2.475 6.795 6.669 197 HA LYS 26 HA LYS 26 -0.366 8.671 6.342 198 HB2 LYS 26 1HB LYS 26 -3.083 8.706 7.179 199 HB3 LYS 26 2HB LYS 26 -2.207 9.333 8.548 200 HG2 LYS 26 1HG LYS 26 -2.853 11.190 7.195 201 HG3 LYS 26 2HG LYS 26 -1.108 10.993 7.031 202 HD2 LYS 26 1HD LYS 26 -1.712 9.626 4.853 203 HD3 LYS 26 2HD LYS 26 -3.324 10.284 5.043 204 HE2 LYS 26 1HE LYS 26 -1.935 11.511 3.414 205 HE3 LYS 26 2HE LYS 26 -2.560 12.541 4.702 206 HZ1 LYS 26 3HZ LYS 26 -0.037 12.669 4.017 207 HZ2 LYS 26 1HZ LYS 26 0.137 11.393 5.011 208 HZ3 LYS 26 2HZ LYS 26 -0.451 12.798 5.595 209 H GLU 27 H GLU 27 -0.728 6.376 8.864 210 HA GLU 27 HA GLU 27 1.143 7.746 10.698 211 HB2 GLU 27 1HB GLU 27 -0.762 6.566 11.613 212 HB3 GLU 27 2HB GLU 27 -0.239 5.042 10.880 213 HG2 GLU 27 1HG GLU 27 1.558 4.788 12.361 214 HG3 GLU 27 2HG GLU 27 1.698 6.519 12.657 215 H LYS 28 H LYS 28 3.243 7.589 10.515 216 HA LYS 28 HA LYS 28 4.575 5.549 8.841 217 HB2 LYS 28 1HB LYS 28 5.544 8.121 10.166 218 HB3 LYS 28 2HB LYS 28 6.632 6.965 9.428 219 HG2 LYS 28 1HG LYS 28 6.342 8.447 7.719 220 HG3 LYS 28 2HG LYS 28 5.280 7.121 7.293 221 HD2 LYS 28 1HD LYS 28 4.246 9.150 6.743 222 HD3 LYS 28 2HD LYS 28 3.309 8.485 8.051 223 HE2 LYS 28 1HE LYS 28 5.522 10.378 8.814 224 HE3 LYS 28 2HE LYS 28 4.265 11.074 7.791 225 HZ1 LYS 28 3HZ LYS 28 3.868 9.916 10.483 226 HZ2 LYS 28 1HZ LYS 28 2.613 10.253 9.459 227 HZ3 LYS 28 2HZ LYS 28 3.596 11.437 10.002 228 H ASP 29 H ASP 29 3.557 5.478 11.908 229 HA ASP 29 HA ASP 29 5.932 4.447 13.269 230 HB2 ASP 29 1HB ASP 29 3.780 5.861 14.110 231 HB3 ASP 29 2HB ASP 29 3.206 4.249 14.506 232 H ILE 30 H ILE 30 4.200 3.001 11.046 233 HA ILE 30 HA ILE 30 3.637 0.387 12.256 234 HB ILE 30 HB ILE 30 2.635 -0.146 10.107 235 HG12 ILE 30 1HG1 ILE 30 2.467 1.931 8.483 236 HG13 ILE 30 2HG1 ILE 30 3.951 2.440 9.236 237 HG21 ILE 30 1HG2 ILE 30 1.152 0.913 11.604 238 HG22 ILE 30 2HG2 ILE 30 1.811 2.534 11.289 239 HG23 ILE 30 3HG2 ILE 30 0.897 1.705 10.044 240 HD11 ILE 30 3HD1 ILE 30 4.032 0.965 7.049 241 HD12 ILE 30 1HD1 ILE 30 5.148 0.552 8.336 242 HD13 ILE 30 2HD1 ILE 30 3.665 -0.366 8.152 243 H SER 31 H SER 31 6.419 1.773 11.002 244 HA SER 31 HA SER 31 7.410 0.103 9.046 245 HB2 SER 31 1HB SER 31 9.636 0.925 9.589 246 HB3 SER 31 2HB SER 31 8.429 2.213 9.594 247 HG SER 31 HG SER 31 9.600 0.937 11.857 248 H VAL 32 H VAL 32 7.854 -1.980 8.893 249 HA VAL 32 HA VAL 32 8.015 -3.651 11.291 250 HB VAL 32 HB VAL 32 7.986 -4.345 8.316 251 HG11 VAL 32 1HG1 VAL 32 7.633 -6.632 8.999 252 HG12 VAL 32 2HG1 VAL 32 9.185 -6.114 9.638 253 HG13 VAL 32 3HG1 VAL 32 7.781 -6.207 10.724 254 HG21 VAL 32 3HG2 VAL 32 5.889 -4.658 10.494 255 HG22 VAL 32 1HG2 VAL 32 5.925 -3.372 9.282 256 HG23 VAL 32 2HG2 VAL 32 5.734 -5.033 8.758 257 H ASP 33 H ASP 33 9.789 -4.396 12.234 258 HA ASP 33 HA ASP 33 12.449 -3.602 11.620 259 HB2 ASP 33 1HB ASP 33 11.140 -5.665 13.383 260 HB3 ASP 33 2HB ASP 33 12.848 -5.876 13.041 261 H SER 34 H SER 34 14.019 -4.386 10.289 262 HA SER 34 HA SER 34 13.607 -6.019 8.106 263 HB2 SER 34 1HB SER 34 16.154 -5.464 9.658 264 HB3 SER 34 2HB SER 34 16.137 -6.296 8.095 265 HG SER 34 HG SER 34 15.400 -4.488 7.103 266 H THR 35 H THR 35 14.348 -7.166 11.342 267 HA THR 35 HA THR 35 15.061 -9.872 10.684 268 HB THR 35 HB THR 35 13.757 -8.873 13.248 269 HG1 THR 35 HG1 THR 35 15.712 -8.278 13.906 270 HG21 THR 35 3HG2 THR 35 15.051 -11.422 12.413 271 HG22 THR 35 1HG2 THR 35 13.938 -11.083 13.751 272 HG23 THR 35 2HG2 THR 35 15.670 -10.751 13.930 273 H THR 36 H THR 36 11.964 -8.587 12.007 274 HA THR 36 HA THR 36 10.493 -11.034 11.412 275 HB THR 36 HB THR 36 9.476 -8.281 12.223 276 HG1 THR 36 HG1 THR 36 10.479 -9.002 13.962 277 HG21 THR 36 3HG2 THR 36 7.639 -9.487 11.259 278 HG22 THR 36 1HG2 THR 36 7.490 -9.650 13.020 279 HG23 THR 36 2HG2 THR 36 8.116 -11.003 12.052 280 H TRP 37 H TRP 37 11.181 -8.120 9.596 281 HA TRP 37 HA TRP 37 9.165 -8.030 7.745 282 HB2 TRP 37 1HB TRP 37 10.932 -6.427 7.791 283 HB3 TRP 37 2HB TRP 37 12.129 -7.649 7.368 284 HD1 TRP 37 HD1 TRP 37 12.993 -6.915 5.102 285 HE1 TRP 37 HE1 TRP 37 11.987 -6.414 2.814 286 HE3 TRP 37 HE3 TRP 37 8.042 -7.017 6.370 287 HZ2 TRP 37 HZ2 TRP 37 9.309 -6.587 1.577 288 HZ3 TRP 37 HZ3 TRP 37 6.304 -7.053 4.602 289 HH2 TRP 37 HH2 TRP 37 6.920 -6.855 2.219 290 H ASN 38 H ASN 38 11.925 -10.247 7.599 291 HA ASN 38 HA ASN 38 11.432 -11.520 5.146 292 HB2 ASN 38 1HB ASN 38 12.465 -12.703 7.762 293 HB3 ASN 38 2HB ASN 38 12.614 -13.471 6.177 294 HD21 ASN 38 2HD2 ASN 38 14.893 -13.067 7.649 295 HD22 ASN 38 1HD2 ASN 38 15.821 -11.779 6.889 296 H ARG 39 H ARG 39 9.710 -11.961 8.181 297 HA ARG 39 HA ARG 39 8.046 -14.223 7.200 298 HB2 ARG 39 1HB ARG 39 8.137 -12.739 9.869 299 HB3 ARG 39 2HB ARG 39 6.908 -13.921 9.444 300 HG2 ARG 39 1HG ARG 39 8.551 -15.027 10.752 301 HG3 ARG 39 2HG ARG 39 8.635 -15.650 9.101 302 HD2 ARG 39 1HD ARG 39 10.650 -14.310 8.667 303 HD3 ARG 39 2HD ARG 39 10.507 -13.535 10.252 304 HE ARG 39 HE ARG 39 11.440 -15.415 11.245 305 HH11 ARG 39 1HH1 ARG 39 10.653 -16.307 7.952 306 HH12 ARG 39 2HH1 ARG 39 11.463 -17.847 8.082 307 HH21 ARG 39 1HH2 ARG 39 12.450 -17.375 11.342 308 HH22 ARG 39 2HH2 ARG 39 12.448 -18.428 9.959 309 H ARG 40 H ARG 40 7.683 -10.809 8.110 310 HA ARG 40 HA ARG 40 4.921 -10.460 7.664 311 HB2 ARG 40 1HB ARG 40 7.151 -8.712 8.017 312 HB3 ARG 40 2HB ARG 40 6.230 -8.168 6.627 313 HG2 ARG 40 1HG ARG 40 5.139 -7.027 8.147 314 HG3 ARG 40 2HG ARG 40 4.116 -8.452 8.187 315 HD2 ARG 40 1HD ARG 40 6.477 -8.269 10.044 316 HD3 ARG 40 2HD ARG 40 5.098 -7.205 10.352 317 HE ARG 40 HE ARG 40 4.241 -9.962 10.027 318 HH11 ARG 40 1HH1 ARG 40 5.501 -7.744 12.437 319 HH12 ARG 40 2HH1 ARG 40 4.810 -8.667 13.741 320 HH21 ARG 40 1HH2 ARG 40 3.429 -11.010 11.590 321 HH22 ARG 40 2HH2 ARG 40 3.648 -10.552 13.280 322 H TYR 41 H TYR 41 7.538 -10.522 5.293 323 HA TYR 41 HA TYR 41 6.224 -9.761 2.962 324 HB2 TYR 41 1HB TYR 41 8.694 -10.598 3.465 325 HB3 TYR 41 2HB TYR 41 8.086 -12.150 2.923 326 HD1 TYR 41 HD1 TYR 41 6.687 -12.001 0.561 327 HD2 TYR 41 HD2 TYR 41 9.688 -9.214 1.929 328 HE1 TYR 41 HE1 TYR 41 6.938 -11.148 -1.747 329 HE2 TYR 41 HE2 TYR 41 9.969 -8.391 -0.405 330 HH TYR 41 HH TYR 41 8.239 -9.848 -3.143 331 H ARG 42 H ARG 42 6.140 -12.902 4.600 332 HA ARG 42 HA ARG 42 4.707 -14.369 2.581 333 HB2 ARG 42 1HB ARG 42 6.119 -15.146 4.737 334 HB3 ARG 42 2HB ARG 42 4.536 -15.154 5.492 335 HG2 ARG 42 1HG ARG 42 4.347 -17.263 4.659 336 HG3 ARG 42 2HG ARG 42 3.956 -16.480 3.132 337 HD2 ARG 42 1HD ARG 42 5.683 -18.101 2.698 338 HD3 ARG 42 2HD ARG 42 6.430 -16.495 2.576 339 HE ARG 42 HE ARG 42 6.647 -17.499 5.265 340 HH11 ARG 42 1HH1 ARG 42 8.144 -18.064 2.166 341 HH12 ARG 42 2HH1 ARG 42 9.639 -18.607 2.883 342 HH21 ARG 42 1HH2 ARG 42 8.527 -18.200 6.125 343 HH22 ARG 42 2HH2 ARG 42 9.840 -18.679 5.088 344 H GLU 43 H GLU 43 3.536 -13.045 5.703 345 HA GLU 43 HA GLU 43 0.762 -13.602 5.251 346 HB2 GLU 43 1HB GLU 43 0.294 -11.793 6.910 347 HB3 GLU 43 2HB GLU 43 1.383 -13.072 7.460 348 HG2 GLU 43 1HG GLU 43 3.309 -11.601 7.027 349 HG3 GLU 43 2HG GLU 43 2.209 -10.278 6.600 350 H TYR 44 H TYR 44 2.599 -10.587 4.512 351 HA TYR 44 HA TYR 44 0.421 -9.268 3.236 352 HB2 TYR 44 1HB TYR 44 3.407 -8.971 2.912 353 HB3 TYR 44 2HB TYR 44 2.216 -7.872 2.255 354 HD1 TYR 44 HD2 TYR 44 0.511 -8.413 5.138 355 HD2 TYR 44 HD1 TYR 44 4.332 -6.874 3.893 356 HE1 TYR 44 HE2 TYR 44 0.703 -7.216 7.273 357 HE2 TYR 44 HE1 TYR 44 4.580 -5.706 6.141 358 HH TYR 44 HH TYR 44 1.968 -5.920 8.601 359 H MET 45 H MET 45 2.781 -11.544 1.809 360 HA MET 45 HA MET 45 2.042 -11.220 -0.891 361 HB2 MET 45 1HB MET 45 3.343 -13.369 0.706 362 HB3 MET 45 2HB MET 45 2.466 -13.955 -0.695 363 HG2 MET 45 1HG MET 45 3.666 -12.244 -2.090 364 HG3 MET 45 2HG MET 45 4.689 -11.892 -0.709 365 HE1 MET 45 3HE MET 45 4.484 -13.812 -3.921 366 HE2 MET 45 1HE MET 45 5.734 -12.627 -3.481 367 HE3 MET 45 2HE MET 45 6.181 -14.323 -3.801 368 H GLU 46 H GLU 46 0.270 -12.864 1.681 369 HA GLU 46 HA GLU 46 -1.729 -14.076 -0.098 370 HB2 GLU 46 1HB GLU 46 -2.027 -13.579 2.885 371 HB3 GLU 46 2HB GLU 46 -2.869 -14.764 1.875 372 HG2 GLU 46 1HG GLU 46 -0.686 -15.881 1.424 373 HG3 GLU 46 2HG GLU 46 0.091 -14.747 2.519 374 H LYS 47 H LYS 47 -1.483 -11.148 1.915 375 HA LYS 47 HA LYS 47 -4.133 -10.193 1.551 376 HB2 LYS 47 1HB LYS 47 -1.536 -8.871 2.216 377 HB3 LYS 47 2HB LYS 47 -2.868 -7.856 1.690 378 HG2 LYS 47 1HG LYS 47 -2.874 -7.849 3.998 379 HG3 LYS 47 2HG LYS 47 -4.300 -8.767 3.497 380 HD2 LYS 47 1HD LYS 47 -3.443 -10.783 4.345 381 HD3 LYS 47 2HD LYS 47 -1.765 -10.230 4.213 382 HE2 LYS 47 1HE LYS 47 -1.706 -9.381 6.262 383 HE3 LYS 47 2HE LYS 47 -3.156 -8.428 5.967 384 HZ1 LYS 47 3HZ LYS 47 -3.140 -11.239 6.917 385 HZ2 LYS 47 1HZ LYS 47 -4.493 -10.379 6.522 386 HZ3 LYS 47 2HZ LYS 47 -3.571 -9.914 7.774 387 H ILE 48 H ILE 48 -1.652 -10.422 -0.825 388 HA ILE 48 HA ILE 48 -2.716 -8.414 -2.624 389 HB ILE 48 HB ILE 48 -0.983 -10.685 -3.571 390 HG12 ILE 48 1HG1 ILE 48 0.152 -10.087 -1.563 391 HG13 ILE 48 2HG1 ILE 48 1.018 -9.364 -2.901 392 HG21 ILE 48 1HG2 ILE 48 -1.661 -9.099 -5.287 393 HG22 ILE 48 2HG2 ILE 48 -1.219 -7.721 -4.263 394 HG23 ILE 48 3HG2 ILE 48 0.037 -8.793 -4.888 395 HD11 ILE 48 3HD1 ILE 48 0.922 -7.777 -1.126 396 HD12 ILE 48 1HD1 ILE 48 -0.108 -7.141 -2.406 397 HD13 ILE 48 2HD1 ILE 48 -0.840 -7.871 -0.968 398 H LYS 49 H LYS 49 -3.593 -11.675 -1.978 399 HA LYS 49 HA LYS 49 -5.497 -11.720 -4.307 400 HB2 LYS 49 1HB LYS 49 -5.285 -14.029 -4.479 401 HB3 LYS 49 2HB LYS 49 -3.632 -13.459 -4.245 402 HG2 LYS 49 1HG LYS 49 -3.868 -14.080 -1.784 403 HG3 LYS 49 2HG LYS 49 -5.453 -14.752 -2.157 404 HD2 LYS 49 1HD LYS 49 -4.383 -16.690 -2.464 405 HD3 LYS 49 2HD LYS 49 -3.883 -16.030 -4.027 406 HE2 LYS 49 1HE LYS 49 -1.847 -15.042 -2.793 407 HE3 LYS 49 2HE LYS 49 -2.353 -15.986 -1.385 408 HZ1 LYS 49 3HZ LYS 49 -2.123 -18.003 -2.731 409 HZ2 LYS 49 1HZ LYS 49 -0.709 -17.185 -2.723 410 HZ3 LYS 49 2HZ LYS 49 -1.672 -17.134 -4.040 411 H THR 50 H THR 50 -5.223 -12.103 -0.868 412 HA THR 50 HA THR 50 -8.177 -12.605 -0.618 413 HB THR 50 HB THR 50 -6.559 -14.403 0.100 414 HG1 THR 50 HG1 THR 50 -7.993 -14.725 1.974 415 HG21 THR 50 3HG2 THR 50 -5.304 -12.622 1.531 416 HG22 THR 50 1HG2 THR 50 -5.580 -14.235 2.216 417 HG23 THR 50 2HG2 THR 50 -6.622 -12.847 2.677 418 H GLY 51 H GLY 51 -5.692 -10.417 0.163 419 HA2 GLY 51 1HA GLY 51 -6.885 -9.181 2.480 420 HA3 GLY 51 2HA GLY 51 -5.570 -8.523 1.513 421 H SER 52 H SER 52 -8.286 -7.642 2.588 422 HA SER 52 HA SER 52 -9.758 -6.667 0.302 423 HB2 SER 52 1HB SER 52 -10.685 -7.031 2.565 424 HB3 SER 52 2HB SER 52 -9.662 -5.711 3.176 425 HG SER 52 HG SER 52 -11.772 -4.986 2.693 426 H VAL 53 H VAL 53 -10.136 -4.214 0.226 427 HA VAL 53 HA VAL 53 -7.986 -2.724 -0.791 428 HB VAL 53 HB VAL 53 -10.116 -1.985 -1.359 429 HG11 VAL 53 1HG1 VAL 53 -11.413 -2.935 0.536 430 HG12 VAL 53 2HG1 VAL 53 -10.834 -1.623 1.579 431 HG13 VAL 53 3HG1 VAL 53 -11.854 -1.274 0.181 432 HG21 VAL 53 3HG2 VAL 53 -9.428 0.116 0.726 433 HG22 VAL 53 1HG2 VAL 53 -8.439 -0.115 -0.698 434 HG23 VAL 53 2HG2 VAL 53 -10.150 0.326 -0.872 435 H PHE 54 H PHE 54 -9.390 -2.429 2.471 436 HA PHE 54 HA PHE 54 -7.517 -0.599 3.553 437 HB2 PHE 54 1HB PHE 54 -9.125 -2.815 4.885 438 HB3 PHE 54 2HB PHE 54 -8.263 -1.554 5.754 439 HD1 PHE 54 HD2 PHE 54 -8.916 0.990 4.604 440 HD2 PHE 54 HD1 PHE 54 -11.442 -2.499 4.842 441 HE1 PHE 54 HE2 PHE 54 -10.932 2.433 4.496 442 HE2 PHE 54 HE1 PHE 54 -13.447 -1.021 4.769 443 HZ PHE 54 HZ PHE 54 -13.181 1.433 4.680 444 H GLU 55 H GLU 55 -7.202 -4.056 2.989 445 HA GLU 55 HA GLU 55 -4.745 -4.298 4.588 446 HB2 GLU 55 1HB GLU 55 -5.958 -6.384 2.756 447 HB3 GLU 55 2HB GLU 55 -4.677 -6.557 3.951 448 HG2 GLU 55 1HG GLU 55 -6.368 -5.772 5.714 449 HG3 GLU 55 2HG GLU 55 -7.608 -5.999 4.476 450 H ILE 56 H ILE 56 -5.502 -4.427 1.018 451 HA ILE 56 HA ILE 56 -2.896 -4.629 0.017 452 HB ILE 56 HB ILE 56 -5.300 -3.110 -1.001 453 HG12 ILE 56 1HG1 ILE 56 -5.369 -5.594 -0.941 454 HG13 ILE 56 2HG1 ILE 56 -5.581 -4.886 -2.540 455 HG21 ILE 56 1HG2 ILE 56 -2.608 -3.340 -2.405 456 HG22 ILE 56 2HG2 ILE 56 -4.147 -2.978 -3.229 457 HG23 ILE 56 3HG2 ILE 56 -3.527 -1.872 -2.028 458 HD11 ILE 56 3HD1 ILE 56 -3.058 -6.217 -1.470 459 HD12 ILE 56 1HD1 ILE 56 -4.199 -6.852 -2.677 460 HD13 ILE 56 2HD1 ILE 56 -3.194 -5.448 -3.067 461 H ALA 57 H ALA 57 -4.619 -1.597 0.820 462 HA ALA 57 HA ALA 57 -2.418 0.118 0.273 463 HB1 ALA 57 3HB ALA 57 -3.807 1.756 1.032 464 HB2 ALA 57 1HB ALA 57 -5.022 0.490 0.978 465 HB3 ALA 57 2HB ALA 57 -4.230 0.883 2.524 466 H GLU 58 H GLU 58 -3.302 -1.548 3.359 467 HA GLU 58 HA GLU 58 -1.086 -0.559 4.900 468 HB2 GLU 58 1HB GLU 58 -2.907 -2.970 5.144 469 HB3 GLU 58 2HB GLU 58 -1.433 -2.875 6.083 470 HG2 GLU 58 1HG GLU 58 -2.346 -0.461 6.688 471 HG3 GLU 58 2HG GLU 58 -3.883 -1.164 6.267 472 H VAL 59 H VAL 59 -1.320 -3.368 2.632 473 HA VAL 59 HA VAL 59 1.199 -4.488 3.350 474 HB VAL 59 HB VAL 59 -0.230 -4.608 0.652 475 HG11 VAL 59 1HG1 VAL 59 2.350 -5.765 1.709 476 HG12 VAL 59 2HG1 VAL 59 1.388 -6.672 0.551 477 HG13 VAL 59 3HG1 VAL 59 1.993 -5.082 0.104 478 HG21 VAL 59 3HG2 VAL 59 -0.502 -7.038 1.503 479 HG22 VAL 59 1HG2 VAL 59 -0.183 -6.373 3.122 480 HG23 VAL 59 2HG2 VAL 59 -1.564 -5.815 2.156 481 H LEU 60 H LEU 60 0.572 -2.473 0.444 482 HA LEU 60 HA LEU 60 3.317 -2.169 -0.203 483 HB2 LEU 60 1HB LEU 60 2.378 -1.508 -2.020 484 HB3 LEU 60 2HB LEU 60 0.814 -1.340 -1.285 485 HG LEU 60 HG LEU 60 2.883 0.900 -1.153 486 HD11 LEU 60 1HD1 LEU 60 2.607 0.302 -3.422 487 HD12 LEU 60 2HD1 LEU 60 1.834 1.850 -3.102 488 HD13 LEU 60 3HD1 LEU 60 0.832 0.377 -3.298 489 HD21 LEU 60 3HD2 LEU 60 1.140 1.404 0.361 490 HD22 LEU 60 1HD2 LEU 60 -0.084 0.626 -0.624 491 HD23 LEU 60 2HD2 LEU 60 0.614 2.197 -1.086 492 H ARG 61 H ARG 61 1.391 -0.290 2.032 493 HA ARG 61 HA ARG 61 3.085 1.951 2.498 494 HB2 ARG 61 1HB ARG 61 0.808 1.823 3.333 495 HB3 ARG 61 2HB ARG 61 1.162 0.356 4.211 496 HG2 ARG 61 1HG ARG 61 2.873 1.916 5.556 497 HG3 ARG 61 2HG ARG 61 1.843 3.184 4.952 498 HD2 ARG 61 1HD ARG 61 0.960 2.591 7.049 499 HD3 ARG 61 2HD ARG 61 -0.142 1.886 5.858 500 HE ARG 61 HE ARG 61 1.683 -0.170 6.493 501 HH11 ARG 61 1HH1 ARG 61 -0.928 1.582 8.172 502 HH12 ARG 61 2HH1 ARG 61 -1.401 0.044 8.895 503 HH21 ARG 61 1HH2 ARG 61 1.167 -1.761 7.687 504 HH22 ARG 61 2HH2 ARG 61 -0.256 -1.702 8.776 505 H ASP 62 H ASP 62 3.017 -1.207 4.164 506 HA ASP 62 HA ASP 62 5.293 -0.761 5.814 507 HB2 ASP 62 1HB ASP 62 4.063 -3.326 4.744 508 HB3 ASP 62 2HB ASP 62 5.441 -3.275 5.837 509 H LEU 63 H LEU 63 5.138 -2.397 2.593 510 HA LEU 63 HA LEU 63 7.930 -2.781 2.280 511 HB2 LEU 63 1HB LEU 63 5.820 -2.277 0.155 512 HB3 LEU 63 2HB LEU 63 7.485 -2.702 -0.196 513 HG LEU 63 HG LEU 63 6.607 -4.601 1.746 514 HD11 LEU 63 1HD1 LEU 63 4.700 -4.691 -0.609 515 HD12 LEU 63 2HD1 LEU 63 4.299 -3.857 0.885 516 HD13 LEU 63 3HD1 LEU 63 4.661 -5.575 0.940 517 HD21 LEU 63 3HD2 LEU 63 6.913 -4.947 -1.255 518 HD22 LEU 63 1HD2 LEU 63 6.938 -6.243 -0.049 519 HD23 LEU 63 2HD2 LEU 63 8.237 -5.038 -0.073 520 H TYR 64 H TYR 64 6.076 0.205 1.476 521 HA TYR 64 HA TYR 64 8.363 1.648 0.506 522 HB2 TYR 64 1HB TYR 64 5.604 2.342 1.342 523 HB3 TYR 64 2HB TYR 64 6.786 3.620 1.541 524 HD1 TYR 64 HD2 TYR 64 8.228 4.343 -0.433 525 HD2 TYR 64 HD1 TYR 64 4.840 1.744 -0.858 526 HE1 TYR 64 HE2 TYR 64 8.044 4.990 -2.823 527 HE2 TYR 64 HE1 TYR 64 4.725 2.284 -3.279 528 HH TYR 64 HH TYR 64 6.797 4.783 -4.757 529 H LEU 65 H LEU 65 6.999 1.524 3.818 530 HA LEU 65 HA LEU 65 9.075 3.252 4.899 531 HB2 LEU 65 1HB LEU 65 7.180 1.334 6.301 532 HB3 LEU 65 2HB LEU 65 8.230 2.505 7.101 533 HG LEU 65 HG LEU 65 5.839 3.097 5.325 534 HD11 LEU 65 1HD1 LEU 65 6.233 4.294 8.030 535 HD12 LEU 65 2HD1 LEU 65 5.953 2.570 7.998 536 HD13 LEU 65 3HD1 LEU 65 4.761 3.657 7.250 537 HD21 LEU 65 3HD2 LEU 65 7.853 5.069 6.482 538 HD22 LEU 65 1HD2 LEU 65 6.264 5.501 5.809 539 HD23 LEU 65 2HD2 LEU 65 7.498 4.801 4.760 540 H LEU 66 H LEU 66 9.035 -0.231 4.324 541 HA LEU 66 HA LEU 66 11.049 -1.020 6.084 542 HB2 LEU 66 1HB LEU 66 9.954 -1.998 3.484 543 HB3 LEU 66 2HB LEU 66 11.618 -2.442 3.744 544 HG LEU 66 HG LEU 66 10.298 -4.208 4.424 545 HD11 LEU 66 1HD1 LEU 66 12.274 -3.758 5.819 546 HD12 LEU 66 2HD1 LEU 66 10.982 -4.556 6.726 547 HD13 LEU 66 3HD1 LEU 66 11.259 -2.851 6.968 548 HD21 LEU 66 3HD2 LEU 66 8.728 -2.394 6.244 549 HD22 LEU 66 1HD2 LEU 66 8.660 -4.179 6.231 550 HD23 LEU 66 2HD2 LEU 66 8.173 -3.293 4.803 551 H LYS 67 H LYS 67 11.475 0.301 2.837 552 HA LYS 67 HA LYS 67 14.399 0.646 3.258 553 HB2 LYS 67 1HB LYS 67 12.670 0.292 0.961 554 HB3 LYS 67 2HB LYS 67 13.481 1.849 0.794 555 HG2 LYS 67 1HG LYS 67 14.784 0.079 -0.243 556 HG3 LYS 67 2HG LYS 67 15.673 0.761 1.117 557 HD2 LYS 67 1HD LYS 67 14.088 -1.485 2.064 558 HD3 LYS 67 2HD LYS 67 14.902 -1.989 0.600 559 HE2 LYS 67 1HE LYS 67 16.368 -0.572 2.852 560 HE3 LYS 67 2HE LYS 67 16.080 -2.312 2.906 561 HZ1 LYS 67 3HZ LYS 67 17.425 -1.070 0.576 562 HZ2 LYS 67 1HZ LYS 67 17.427 -2.646 1.024 563 HZ3 LYS 67 2HZ LYS 67 18.264 -1.551 1.891 564 H GLY 68 H GLY 68 11.551 2.560 3.547 565 HA2 GLY 68 1HA GLY 68 11.242 4.683 4.427 566 HA3 GLY 68 2HA GLY 68 12.966 4.762 4.794 567 H ASP 69 H ASP 69 12.115 4.082 1.500 568 HA ASP 69 HA ASP 69 12.336 6.813 0.512 569 HB2 ASP 69 1HB ASP 69 14.745 5.531 1.117 570 HB3 ASP 69 2HB ASP 69 14.523 5.104 -0.571 571 H LYS 70 H LYS 70 12.711 6.669 -1.973 572 HA LYS 70 HA LYS 70 10.612 4.992 -3.167 573 HB2 LYS 70 1HB LYS 70 11.065 6.240 -5.187 574 HB3 LYS 70 2HB LYS 70 11.064 7.347 -3.816 575 HG2 LYS 70 1HG LYS 70 13.735 6.740 -3.902 576 HG3 LYS 70 2HG LYS 70 13.337 6.472 -5.593 577 HD2 LYS 70 1HD LYS 70 12.749 9.017 -4.018 578 HD3 LYS 70 2HD LYS 70 14.209 8.753 -4.976 579 HE2 LYS 70 1HE LYS 70 12.786 8.442 -7.021 580 HE3 LYS 70 2HE LYS 70 11.355 8.795 -6.038 581 HZ1 LYS 70 3HZ LYS 70 13.483 10.626 -6.892 582 HZ2 LYS 70 1HZ LYS 70 12.762 10.923 -5.452 583 HZ3 LYS 70 2HZ LYS 70 11.873 10.887 -6.821 584 H ASP 71 H ASP 71 14.060 4.733 -2.926 585 HA ASP 71 HA ASP 71 14.430 2.764 -5.056 586 HB2 ASP 71 1HB ASP 71 16.165 4.264 -3.137 587 HB3 ASP 71 2HB ASP 71 16.747 2.678 -3.600 588 H LEU 72 H LEU 72 12.602 1.520 -4.116 589 HA LEU 72 HA LEU 72 12.900 -0.212 -1.861 590 HB2 LEU 72 1HB LEU 72 11.145 0.055 -4.239 591 HB3 LEU 72 2HB LEU 72 11.349 -1.615 -3.731 592 HG LEU 72 HG LEU 72 9.386 -0.515 -2.742 593 HD11 LEU 72 1HD1 LEU 72 10.752 -0.964 -0.245 594 HD12 LEU 72 2HD1 LEU 72 11.319 -2.102 -1.446 595 HD13 LEU 72 3HD1 LEU 72 9.587 -1.987 -1.112 596 HD21 LEU 72 3HD2 LEU 72 10.438 1.779 -2.512 597 HD22 LEU 72 1HD2 LEU 72 11.236 1.174 -1.044 598 HD23 LEU 72 2HD2 LEU 72 9.469 1.200 -1.159 599 H SER 73 H SER 73 13.680 -2.267 -1.599 600 HA SER 73 HA SER 73 16.057 -3.005 -3.008 601 HB2 SER 73 1HB SER 73 15.156 -3.726 -0.624 602 HB3 SER 73 2HB SER 73 14.397 -5.049 -1.520 603 HG SER 73 HG SER 73 16.555 -5.512 -0.747 604 H PHE 74 H PHE 74 16.453 -4.928 -4.370 605 HA PHE 74 HA PHE 74 14.739 -5.241 -6.575 606 HB2 PHE 74 1HB PHE 74 17.048 -5.973 -6.660 607 HB3 PHE 74 2HB PHE 74 16.760 -7.205 -5.435 608 HD1 PHE 74 HD2 PHE 74 15.477 -9.273 -5.966 609 HD2 PHE 74 HD1 PHE 74 16.301 -6.310 -8.995 610 HE1 PHE 74 HE2 PHE 74 14.754 -10.865 -7.718 611 HE2 PHE 74 HE1 PHE 74 15.626 -7.933 -10.752 612 HZ PHE 74 HZ PHE 74 14.852 -10.211 -10.118 613 H GLY 75 H GLY 75 14.858 -7.347 -3.676 614 HA2 GLY 75 1HA GLY 75 12.700 -9.077 -4.548 615 HA3 GLY 75 2HA GLY 75 13.333 -8.955 -2.902 616 H GLU 76 H GLU 76 12.781 -6.445 -2.094 617 HA GLU 76 HA GLU 76 10.030 -6.463 -1.421 618 HB2 GLU 76 1HB GLU 76 11.973 -4.142 -1.440 619 HB3 GLU 76 2HB GLU 76 10.424 -4.202 -0.560 620 HG2 GLU 76 1HG GLU 76 11.291 -6.105 0.774 621 HG3 GLU 76 2HG GLU 76 12.824 -6.010 -0.086 622 H ARG 77 H ARG 77 11.603 -4.745 -4.095 623 HA ARG 77 HA ARG 77 9.367 -3.233 -5.006 624 HB2 ARG 77 1HB ARG 77 11.831 -3.040 -5.680 625 HB3 ARG 77 2HB ARG 77 11.585 -4.451 -6.693 626 HG2 ARG 77 1HG ARG 77 11.496 -2.585 -8.105 627 HG3 ARG 77 2HG ARG 77 9.808 -3.077 -7.960 628 HD2 ARG 77 1HD ARG 77 9.283 -1.225 -6.558 629 HD3 ARG 77 2HD ARG 77 10.988 -0.982 -6.124 630 HE ARG 77 HE ARG 77 10.729 -0.568 -8.918 631 HH11 ARG 77 1HH1 ARG 77 9.808 1.105 -5.987 632 HH12 ARG 77 2HH1 ARG 77 10.260 2.657 -6.622 633 HH21 ARG 77 1HH2 ARG 77 11.148 1.448 -9.724 634 HH22 ARG 77 2HH2 ARG 77 10.851 2.850 -8.743 635 H LYS 78 H LYS 78 10.021 -6.663 -5.379 636 HA LYS 78 HA LYS 78 8.369 -7.186 -7.681 637 HB2 LYS 78 1HB LYS 78 9.073 -9.059 -5.380 638 HB3 LYS 78 2HB LYS 78 8.398 -9.552 -6.908 639 HG2 LYS 78 1HG LYS 78 10.884 -7.950 -7.205 640 HG3 LYS 78 2HG LYS 78 11.111 -9.386 -6.237 641 HD2 LYS 78 1HD LYS 78 11.051 -10.758 -7.990 642 HD3 LYS 78 2HD LYS 78 9.624 -10.013 -8.709 643 HE2 LYS 78 1HE LYS 78 12.360 -8.685 -8.808 644 HE3 LYS 78 2HE LYS 78 11.875 -9.891 -10.006 645 HZ1 LYS 78 3HZ LYS 78 10.054 -8.509 -10.679 646 HZ2 LYS 78 1HZ LYS 78 11.382 -7.562 -10.682 647 HZ3 LYS 78 2HZ LYS 78 10.296 -7.434 -9.471 648 H MET 79 H MET 79 7.633 -7.566 -4.200 649 HA MET 79 HA MET 79 4.811 -8.140 -4.755 650 HB2 MET 79 1HB MET 79 6.068 -8.915 -2.691 651 HB3 MET 79 2HB MET 79 5.955 -7.249 -2.095 652 HG2 MET 79 1HG MET 79 3.332 -7.841 -2.846 653 HG3 MET 79 2HG MET 79 3.921 -9.409 -2.317 654 HE1 MET 79 3HE MET 79 4.995 -8.490 1.433 655 HE2 MET 79 1HE MET 79 4.839 -9.830 0.272 656 HE3 MET 79 2HE MET 79 6.012 -8.516 -0.013 657 H LEU 80 H LEU 80 6.674 -5.234 -3.787 658 HA LEU 80 HA LEU 80 4.553 -3.417 -3.452 659 HB2 LEU 80 1HB LEU 80 6.984 -2.937 -3.004 660 HB3 LEU 80 2HB LEU 80 7.251 -2.907 -4.746 661 HG LEU 80 HG LEU 80 5.183 -1.108 -4.549 662 HD11 LEU 80 1HD1 LEU 80 6.808 -0.341 -2.160 663 HD12 LEU 80 2HD1 LEU 80 5.404 -1.430 -1.986 664 HD13 LEU 80 3HD1 LEU 80 5.181 0.155 -2.699 665 HD21 LEU 80 3HD2 LEU 80 6.970 0.677 -4.596 666 HD22 LEU 80 1HD2 LEU 80 7.052 -0.588 -5.839 667 HD23 LEU 80 2HD2 LEU 80 8.150 -0.646 -4.454 668 H ASP 81 H ASP 81 6.304 -4.103 -6.554 669 HA ASP 81 HA ASP 81 4.799 -2.477 -8.269 670 HB2 ASP 81 1HB ASP 81 6.860 -3.568 -8.914 671 HB3 ASP 81 2HB ASP 81 6.144 -5.166 -8.711 672 H THR 82 H THR 82 3.968 -5.686 -7.045 673 HA THR 82 HA THR 82 1.576 -5.953 -8.711 674 HB THR 82 HB THR 82 1.950 -7.522 -6.157 675 HG1 THR 82 HG1 THR 82 3.928 -7.713 -7.275 676 HG21 THR 82 3HG2 THR 82 0.065 -7.590 -8.292 677 HG22 THR 82 1HG2 THR 82 0.309 -8.821 -7.052 678 HG23 THR 82 2HG2 THR 82 1.143 -8.957 -8.595 679 H ALA 83 H ALA 83 2.129 -5.186 -5.225 680 HA ALA 83 HA ALA 83 -0.608 -4.643 -4.610 681 HB1 ALA 83 3HB ALA 83 0.211 -3.798 -2.510 682 HB2 ALA 83 1HB ALA 83 1.184 -5.209 -2.953 683 HB3 ALA 83 2HB ALA 83 1.851 -3.579 -3.179 684 H ARG 84 H ARG 84 1.876 -2.532 -5.960 685 HA ARG 84 HA ARG 84 0.620 0.037 -5.703 686 HB2 ARG 84 1HB ARG 84 2.516 -1.168 -7.752 687 HB3 ARG 84 2HB ARG 84 1.933 0.470 -7.934 688 HG2 ARG 84 1HG ARG 84 3.207 -0.352 -5.336 689 HG3 ARG 84 2HG ARG 84 4.232 -0.122 -6.731 690 HD2 ARG 84 1HD ARG 84 2.442 2.166 -6.538 691 HD3 ARG 84 2HD ARG 84 3.157 1.879 -4.973 692 HE ARG 84 HE ARG 84 5.139 2.724 -5.737 693 HH11 ARG 84 1HH1 ARG 84 3.377 1.830 -8.625 694 HH12 ARG 84 2HH1 ARG 84 4.686 2.275 -9.669 695 HH21 ARG 84 1HH2 ARG 84 6.765 3.229 -7.092 696 HH22 ARG 84 2HH2 ARG 84 6.577 3.034 -8.814 697 H SER 85 H SER 85 0.423 -2.295 -8.387 698 HA SER 85 HA SER 85 -1.479 -0.884 -9.965 699 HB2 SER 85 1HB SER 85 -0.060 -2.792 -10.735 700 HB3 SER 85 2HB SER 85 -1.093 -3.887 -9.788 701 HG SER 85 HG SER 85 -1.972 -2.164 -11.903 702 H LEU 86 H LEU 86 -1.952 -2.765 -7.074 703 HA LEU 86 HA LEU 86 -4.908 -2.779 -7.367 704 HB2 LEU 86 1HB LEU 86 -3.016 -3.881 -5.249 705 HB3 LEU 86 2HB LEU 86 -4.764 -4.062 -5.183 706 HG LEU 86 HG LEU 86 -3.200 -5.084 -7.598 707 HD11 LEU 86 1HD1 LEU 86 -2.981 -7.235 -6.572 708 HD12 LEU 86 2HD1 LEU 86 -3.777 -6.676 -5.086 709 HD13 LEU 86 3HD1 LEU 86 -2.180 -6.036 -5.554 710 HD21 LEU 86 3HD2 LEU 86 -5.857 -5.802 -6.296 711 HD22 LEU 86 1HD2 LEU 86 -5.112 -6.718 -7.621 712 HD23 LEU 86 2HD2 LEU 86 -5.610 -5.037 -7.881 713 H LEU 87 H LEU 87 -2.435 -1.194 -5.340 714 HA LEU 87 HA LEU 87 -4.000 0.203 -3.503 715 HB2 LEU 87 1HB LEU 87 -1.549 0.304 -3.505 716 HB3 LEU 87 2HB LEU 87 -1.554 1.108 -5.079 717 HG LEU 87 HG LEU 87 -2.902 3.035 -3.953 718 HD11 LEU 87 1HD1 LEU 87 -3.481 1.908 -1.862 719 HD12 LEU 87 2HD1 LEU 87 -2.417 3.292 -1.537 720 HD13 LEU 87 3HD1 LEU 87 -1.774 1.642 -1.506 721 HD21 LEU 87 3HD2 LEU 87 -0.454 2.940 -4.730 722 HD22 LEU 87 1HD2 LEU 87 -0.119 2.824 -2.997 723 HD23 LEU 87 2HD2 LEU 87 -1.033 4.200 -3.649 724 H ILE 88 H ILE 88 -3.038 1.382 -6.764 725 HA ILE 88 HA ILE 88 -4.842 3.612 -6.497 726 HB ILE 88 HB ILE 88 -4.244 4.397 -8.533 727 HG12 ILE 88 1HG1 ILE 88 -4.739 2.555 -10.001 728 HG13 ILE 88 2HG1 ILE 88 -3.162 3.271 -10.354 729 HG21 ILE 88 1HG2 ILE 88 -2.364 4.007 -6.730 730 HG22 ILE 88 2HG2 ILE 88 -1.640 3.020 -7.988 731 HG23 ILE 88 3HG2 ILE 88 -2.030 4.731 -8.308 732 HD11 ILE 88 3HD1 ILE 88 -3.550 0.734 -8.764 733 HD12 ILE 88 1HD1 ILE 88 -3.277 0.788 -10.517 734 HD13 ILE 88 2HD1 ILE 88 -2.023 1.383 -9.421 735 H LYS 89 H LYS 89 -5.395 0.422 -7.412 736 HA LYS 89 HA LYS 89 -7.518 0.672 -9.318 737 HB2 LYS 89 1HB LYS 89 -6.154 -1.438 -8.588 738 HB3 LYS 89 2HB LYS 89 -7.340 -1.600 -7.299 739 HG2 LYS 89 1HG LYS 89 -8.216 -2.969 -8.931 740 HG3 LYS 89 2HG LYS 89 -9.121 -1.481 -9.175 741 HD2 LYS 89 1HD LYS 89 -8.534 -1.875 -11.353 742 HD3 LYS 89 2HD LYS 89 -7.075 -0.979 -10.898 743 HE2 LYS 89 1HE LYS 89 -5.893 -3.112 -10.439 744 HE3 LYS 89 2HE LYS 89 -7.382 -4.012 -10.758 745 HZ1 LYS 89 3HZ LYS 89 -7.297 -3.026 -13.057 746 HZ2 LYS 89 1HZ LYS 89 -6.103 -4.091 -12.736 747 HZ3 LYS 89 2HZ LYS 89 -5.785 -2.489 -12.733 748 H GLU 90 H GLU 90 -7.756 0.047 -5.845 749 HA GLU 90 HA GLU 90 -10.618 0.485 -5.623 750 HB2 GLU 90 1HB GLU 90 -10.141 0.549 -3.184 751 HB3 GLU 90 2HB GLU 90 -9.571 -0.883 -4.013 752 HG2 GLU 90 1HG GLU 90 -7.387 0.955 -4.068 753 HG3 GLU 90 2HG GLU 90 -8.090 1.171 -2.501 754 H LEU 91 H LEU 91 -7.802 2.548 -4.837 755 HA LEU 91 HA LEU 91 -9.363 4.807 -4.042 756 HB2 LEU 91 1HB LEU 91 -6.460 4.533 -4.930 757 HB3 LEU 91 2HB LEU 91 -7.139 5.980 -4.142 758 HG LEU 91 HG LEU 91 -6.853 3.197 -2.944 759 HD11 LEU 91 1HD1 LEU 91 -5.295 4.452 -1.355 760 HD12 LEU 91 2HD1 LEU 91 -5.309 5.765 -2.551 761 HD13 LEU 91 3HD1 LEU 91 -4.710 4.158 -2.992 762 HD21 LEU 91 3HD2 LEU 91 -8.730 5.117 -2.159 763 HD22 LEU 91 1HD2 LEU 91 -7.399 5.341 -1.048 764 HD23 LEU 91 2HD2 LEU 91 -8.130 3.728 -1.279 765 H SER 92 H SER 92 -8.594 3.728 -7.193 766 HA SER 92 HA SER 92 -8.612 5.957 -8.760 767 HB2 SER 92 1HB SER 92 -8.366 3.680 -9.643 768 HB3 SER 92 2HB SER 92 -10.084 3.371 -9.347 769 HG SER 92 HG SER 92 -9.730 3.941 -11.499 770 H LEU 93 H LEU 93 -11.337 4.703 -7.032 771 HA LEU 93 HA LEU 93 -13.435 6.012 -8.315 772 HB2 LEU 93 1HB LEU 93 -13.013 4.480 -5.900 773 HB3 LEU 93 2HB LEU 93 -13.940 5.884 -5.442 774 HG LEU 93 HG LEU 93 -15.484 4.213 -5.884 775 HD11 LEU 93 1HD1 LEU 93 -16.910 5.218 -7.425 776 HD12 LEU 93 2HD1 LEU 93 -15.593 5.703 -8.509 777 HD13 LEU 93 3HD1 LEU 93 -15.815 6.544 -6.958 778 HD21 LEU 93 3HD2 LEU 93 -14.080 2.649 -7.127 779 HD22 LEU 93 1HD2 LEU 93 -14.110 3.701 -8.557 780 HD23 LEU 93 2HD2 LEU 93 -15.604 2.920 -7.988 781 H ALA 94 H ALA 94 -12.115 7.152 -5.228 782 HA ALA 94 HA ALA 94 -13.203 9.806 -5.538 783 HB1 ALA 94 3HB ALA 94 -10.915 9.207 -3.677 784 HB2 ALA 94 1HB ALA 94 -12.291 10.290 -3.446 785 HB3 ALA 94 2HB ALA 94 -12.541 8.538 -3.355 786 H LYS 95 H LYS 95 -10.224 8.409 -6.655 787 HA LYS 95 HA LYS 95 -8.529 10.640 -7.009 788 HB2 LYS 95 1HB LYS 95 -7.344 8.909 -7.557 789 HB3 LYS 95 2HB LYS 95 -8.724 7.937 -8.047 790 HG2 LYS 95 1HG LYS 95 -8.698 8.788 -10.270 791 HG3 LYS 95 2HG LYS 95 -7.534 10.065 -9.817 792 HD2 LYS 95 1HD LYS 95 -6.141 8.699 -10.874 793 HD3 LYS 95 2HD LYS 95 -5.927 8.086 -9.280 794 HE2 LYS 95 1HE LYS 95 -6.440 6.011 -10.106 795 HE3 LYS 95 2HE LYS 95 -8.086 6.586 -10.412 796 HZ1 LYS 95 3HZ LYS 95 -5.904 6.931 -12.377 797 HZ2 LYS 95 1HZ LYS 95 -7.480 7.248 -12.597 798 HZ3 LYS 95 2HZ LYS 95 -6.980 5.695 -12.410 799 H ASP 96 H ASP 96 -10.961 9.402 -9.300 800 HA ASP 96 HA ASP 96 -11.864 10.240 -11.224 801 HB2 ASP 96 1HB ASP 96 -12.956 11.473 -9.301 802 HB3 ASP 96 2HB ASP 96 -11.954 12.859 -9.711 803 H CYS 97 H CYS 97 -8.995 10.256 -11.319 804 HA CYS 97 HA CYS 97 -8.375 12.131 -13.475 805 HB2 CYS 97 1HB CYS 97 -8.001 13.085 -10.919 806 HB3 CYS 97 2HB CYS 97 -6.430 12.343 -11.223 807 HG CYS 97 HG CYS 97 -8.155 14.523 -13.034 808 H SER 98 H SER 98 -5.642 11.952 -13.544 809 HA SER 98 HA SER 98 -5.079 9.325 -14.615 810 HB2 SER 98 1HB SER 98 -3.393 11.753 -13.888 811 HB3 SER 98 2HB SER 98 -2.637 10.263 -14.466 812 HG SER 98 HG SER 98 -3.728 10.432 -16.392 813 H GLU 99 H GLU 99 -3.672 7.661 -13.765 814 HA GLU 99 HA GLU 99 -3.932 6.953 -11.035 815 HB2 GLU 99 1HB GLU 99 -1.851 6.125 -13.089 816 HB3 GLU 99 2HB GLU 99 -1.937 5.448 -11.446 817 HG2 GLU 99 1HG GLU 99 -4.294 4.771 -11.873 818 HG3 GLU 99 2HG GLU 99 -4.140 5.319 -13.543 819 H ASP 100 H ASP 100 -1.528 9.034 -12.450 820 HA ASP 100 HA ASP 100 0.441 9.125 -10.463 821 HB2 ASP 100 1HB ASP 100 0.176 10.359 -12.794 822 HB3 ASP 100 2HB ASP 100 -0.536 11.644 -11.821 823 H GLU 101 H GLU 101 -2.892 10.287 -10.193 824 HA GLU 101 HA GLU 101 -2.540 12.173 -8.054 825 HB2 GLU 101 1HB GLU 101 -4.620 12.064 -9.282 826 HB3 GLU 101 2HB GLU 101 -4.880 10.381 -8.864 827 HG2 GLU 101 1HG GLU 101 -5.546 10.781 -6.743 828 HG3 GLU 101 2HG GLU 101 -4.484 12.164 -6.505 829 H ILE 102 H ILE 102 -3.374 8.694 -7.969 830 HA ILE 102 HA ILE 102 -2.992 8.484 -5.070 831 HB ILE 102 HB ILE 102 -3.432 6.326 -7.114 832 HG12 ILE 102 1HG1 ILE 102 -5.658 7.282 -5.304 833 HG13 ILE 102 2HG1 ILE 102 -5.315 8.274 -6.699 834 HG21 ILE 102 1HG2 ILE 102 -4.261 5.073 -5.062 835 HG22 ILE 102 2HG2 ILE 102 -2.540 5.426 -5.026 836 HG23 ILE 102 3HG2 ILE 102 -3.648 6.410 -4.071 837 HD11 ILE 102 3HD1 ILE 102 -5.976 5.319 -6.803 838 HD12 ILE 102 1HD1 ILE 102 -6.972 6.660 -7.327 839 HD13 ILE 102 2HD1 ILE 102 -5.472 6.272 -8.184 840 H GLU 103 H GLU 103 -1.182 7.414 -7.993 841 HA GLU 103 HA GLU 103 0.860 5.932 -6.669 842 HB2 GLU 103 1HB GLU 103 0.537 7.280 -9.325 843 HB3 GLU 103 2HB GLU 103 2.186 6.985 -8.822 844 HG2 GLU 103 1HG GLU 103 1.673 4.598 -8.430 845 HG3 GLU 103 2HG GLU 103 0.024 4.865 -8.973 846 H SER 104 H SER 104 0.712 9.458 -7.535 847 HA SER 104 HA SER 104 3.265 10.019 -6.234 848 HB2 SER 104 1HB SER 104 2.238 11.351 -8.170 849 HB3 SER 104 2HB SER 104 1.170 12.081 -6.949 850 HG SER 104 HG SER 104 4.011 12.173 -7.141 851 H ASP 105 H ASP 105 -0.184 10.101 -5.166 852 HA ASP 105 HA ASP 105 0.194 11.577 -2.816 853 HB2 ASP 105 1HB ASP 105 -1.824 9.668 -3.754 854 HB3 ASP 105 2HB ASP 105 -1.584 9.561 -2.032 855 H LEU 106 H LEU 106 1.437 8.378 -3.454 856 HA LEU 106 HA LEU 106 1.959 7.522 -0.801 857 HB2 LEU 106 1HB LEU 106 3.730 7.131 -3.259 858 HB3 LEU 106 2HB LEU 106 3.746 6.148 -1.805 859 HG LEU 106 HG LEU 106 1.443 6.347 -3.800 860 HD11 LEU 106 1HD1 LEU 106 3.257 4.012 -3.177 861 HD12 LEU 106 2HD1 LEU 106 3.455 5.088 -4.572 862 HD13 LEU 106 3HD1 LEU 106 1.997 4.094 -4.426 863 HD21 LEU 106 3HD2 LEU 106 0.090 5.378 -2.305 864 HD22 LEU 106 1HD2 LEU 106 1.269 5.622 -1.047 865 HD23 LEU 106 2HD2 LEU 106 1.299 4.121 -1.933 866 H LYS 107 H LYS 107 3.798 9.833 -2.791 867 HA LYS 107 HA LYS 107 5.953 10.152 -0.870 868 HB2 LYS 107 1HB LYS 107 6.747 11.918 -2.170 869 HB3 LYS 107 2HB LYS 107 6.069 10.770 -3.304 870 HG2 LYS 107 1HG LYS 107 5.013 12.459 -4.264 871 HG3 LYS 107 2HG LYS 107 3.948 12.573 -2.874 872 HD2 LYS 107 1HD LYS 107 6.583 14.085 -2.907 873 HD3 LYS 107 2HD LYS 107 5.172 14.666 -3.777 874 HE2 LYS 107 1HE LYS 107 4.424 15.636 -1.950 875 HE3 LYS 107 2HE LYS 107 4.075 14.030 -1.317 876 HZ1 LYS 107 3HZ LYS 107 6.636 15.487 -0.893 877 HZ2 LYS 107 1HZ LYS 107 6.236 14.029 -0.230 878 HZ3 LYS 107 2HZ LYS 107 5.439 15.378 0.206 879 H LYS 108 H LYS 108 2.735 11.346 -0.975 880 HA LYS 108 HA LYS 108 3.105 13.496 1.043 881 HB2 LYS 108 1HB LYS 108 1.324 12.929 -1.176 882 HB3 LYS 108 2HB LYS 108 0.350 12.952 0.281 883 HG2 LYS 108 1HG LYS 108 0.973 15.178 0.814 884 HG3 LYS 108 2HG LYS 108 2.322 15.191 -0.328 885 HD2 LYS 108 1HD LYS 108 -0.515 14.751 -1.309 886 HD3 LYS 108 2HD LYS 108 0.098 16.385 -0.982 887 HE2 LYS 108 1HE LYS 108 1.975 16.033 -2.527 888 HE3 LYS 108 2HE LYS 108 1.416 14.396 -2.893 889 HZ1 LYS 108 3HZ LYS 108 -0.508 16.562 -3.295 890 HZ2 LYS 108 1HZ LYS 108 -0.273 15.216 -4.189 891 HZ3 LYS 108 2HZ LYS 108 0.727 16.494 -4.355 892 H ILE 109 H ILE 109 2.131 10.175 0.882 893 HA ILE 109 HA ILE 109 0.980 10.217 3.617 894 HB ILE 109 HB ILE 109 1.341 7.941 1.679 895 HG12 ILE 109 1HG1 ILE 109 -1.368 9.166 2.361 896 HG13 ILE 109 2HG1 ILE 109 -0.427 9.876 1.084 897 HG21 ILE 109 1HG2 ILE 109 0.967 7.705 4.393 898 HG22 ILE 109 2HG2 ILE 109 -0.702 7.735 3.849 899 HG23 ILE 109 3HG2 ILE 109 0.432 6.557 3.175 900 HD11 ILE 109 3HD1 ILE 109 -0.503 7.942 -0.278 901 HD12 ILE 109 1HD1 ILE 109 -0.966 6.889 1.054 902 HD13 ILE 109 2HD1 ILE 109 -2.129 8.065 0.418 903 H PHE 110 H PHE 110 3.479 8.136 1.985 904 HA PHE 110 HA PHE 110 4.600 7.382 4.552 905 HB2 PHE 110 1HB PHE 110 5.888 6.864 1.872 906 HB3 PHE 110 2HB PHE 110 5.984 5.907 3.331 907 HD1 PHE 110 HD2 PHE 110 3.081 5.564 4.074 908 HD2 PHE 110 HD1 PHE 110 5.068 5.397 0.233 909 HE1 PHE 110 HE2 PHE 110 1.254 4.190 3.133 910 HE2 PHE 110 HE1 PHE 110 3.254 4.000 -0.642 911 HZ PHE 110 HZ PHE 110 1.263 3.512 0.783 912 H ASN 111 H ASN 111 5.154 10.019 2.541 913 HA ASN 111 HA ASN 111 6.671 11.689 2.355 914 HB2 ASN 111 1HB ASN 111 6.007 11.724 4.809 915 HB3 ASN 111 2HB ASN 111 7.583 11.023 5.155 916 HD21 ASN 111 2HD2 ASN 111 5.856 13.945 4.565 917 HD22 ASN 111 1HD2 ASN 111 7.281 14.969 4.425 918 H LEU 112 H LEU 112 7.557 10.187 0.714 919 HA LEU 112 HA LEU 112 10.200 8.995 1.238 920 HB2 LEU 112 1HB LEU 112 8.670 9.296 -1.382 921 HB3 LEU 112 2HB LEU 112 10.155 8.392 -1.139 922 HG LEU 112 HG LEU 112 8.695 6.673 -1.103 923 HD11 LEU 112 1HD1 LEU 112 8.446 7.464 1.822 924 HD12 LEU 112 2HD1 LEU 112 9.762 6.518 1.091 925 HD13 LEU 112 3HD1 LEU 112 8.111 5.879 1.139 926 HD21 LEU 112 3HD2 LEU 112 6.745 8.101 -1.506 927 HD22 LEU 112 1HD2 LEU 112 6.558 8.295 0.264 928 HD23 LEU 112 2HD2 LEU 112 6.434 6.704 -0.514 929 H ALA 113 H ALA 113 8.999 11.559 -0.893 930 HA ALA 113 HA ALA 113 9.917 13.311 -1.988 931 HB1 ALA 113 3HB ALA 113 11.673 13.535 0.483 932 HB2 ALA 113 1HB ALA 113 11.239 14.839 -0.640 933 HB3 ALA 113 2HB ALA 113 9.990 14.092 0.371 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -14.501 -15.251 18.523 2 H2 GLY 1 2H GLY 1 -13.635 -16.598 18.216 3 H3 GLY 1 3H GLY 1 -13.202 -15.185 17.521 4 HA2 GLY 1 1HA GLY 1 -14.368 -16.806 16.034 5 HA3 GLY 1 2HA GLY 1 -15.808 -16.479 17.003 6 H SER 2 H SER 2 -15.928 -13.766 17.299 7 HA SER 2 HA SER 2 -15.924 -12.667 14.532 8 HB2 SER 2 1HB SER 2 -17.889 -11.384 15.289 9 HB3 SER 2 2HB SER 2 -18.104 -13.133 15.385 10 HG SER 2 HG SER 2 -17.772 -11.265 17.480 11 H HIS 3 H HIS 3 -13.692 -12.460 16.422 12 HA HIS 3 HA HIS 3 -13.452 -9.474 16.694 13 HB2 HIS 3 1HB HIS 3 -13.612 -11.038 18.823 14 HB3 HIS 3 2HB HIS 3 -11.917 -11.353 18.500 15 HD1 HIS 3 HD1 HIS 3 -13.896 -9.208 20.555 16 HD2 HIS 3 HD2 HIS 3 -10.579 -8.638 17.989 17 HE1 HIS 3 HE1 HIS 3 -12.786 -6.994 21.270 18 HE2 HIS 3 HE2 HIS 3 -10.773 -6.654 19.700 19 H MET 4 H MET 4 -11.505 -12.439 16.286 20 HA MET 4 HA MET 4 -9.187 -11.067 15.164 21 HB2 MET 4 1HB MET 4 -9.933 -14.027 15.223 22 HB3 MET 4 2HB MET 4 -8.370 -13.375 14.749 23 HG2 MET 4 1HG MET 4 -8.864 -12.213 17.272 24 HG3 MET 4 2HG MET 4 -9.440 -13.868 17.415 25 HE1 MET 4 3HE MET 4 -5.118 -12.443 16.616 26 HE2 MET 4 1HE MET 4 -6.150 -12.663 15.190 27 HE3 MET 4 2HE MET 4 -6.611 -11.495 16.452 28 H GLY 5 H GLY 5 -8.314 -12.172 13.039 29 HA2 GLY 5 1HA GLY 5 -8.527 -12.568 10.743 30 HA3 GLY 5 2HA GLY 5 -10.282 -12.425 10.861 31 H SER 6 H SER 6 -9.262 -11.298 8.769 32 HA SER 6 HA SER 6 -8.581 -8.463 9.121 33 HB2 SER 6 1HB SER 6 -9.206 -10.072 6.611 34 HB3 SER 6 2HB SER 6 -8.515 -8.441 6.678 35 HG SER 6 HG SER 6 -6.786 -9.638 6.531 36 H VAL 7 H VAL 7 -9.802 -6.873 7.648 37 HA VAL 7 HA VAL 7 -12.537 -6.634 8.526 38 HB VAL 7 HB VAL 7 -11.513 -5.060 6.167 39 HG11 VAL 7 1HG1 VAL 7 -12.850 -3.317 7.089 40 HG12 VAL 7 2HG1 VAL 7 -13.837 -4.771 7.309 41 HG13 VAL 7 3HG1 VAL 7 -12.951 -4.105 8.678 42 HG21 VAL 7 3HG2 VAL 7 -9.557 -4.879 7.568 43 HG22 VAL 7 1HG2 VAL 7 -10.500 -3.410 7.813 44 HG23 VAL 7 2HG2 VAL 7 -10.552 -4.696 9.034 45 H GLY 8 H GLY 8 -14.477 -6.981 7.398 46 HA2 GLY 8 1HA GLY 8 -14.474 -9.055 5.358 47 HA3 GLY 8 2HA GLY 8 -15.877 -8.306 6.113 48 H LEU 9 H LEU 9 -13.238 -7.296 3.958 49 HA LEU 9 HA LEU 9 -15.132 -5.810 2.151 50 HB2 LEU 9 1HB LEU 9 -12.458 -5.161 3.374 51 HB3 LEU 9 2HB LEU 9 -12.760 -4.559 1.765 52 HG LEU 9 HG LEU 9 -13.134 -2.955 3.477 53 HD11 LEU 9 1HD1 LEU 9 -15.901 -3.115 2.484 54 HD12 LEU 9 2HD1 LEU 9 -14.627 -3.206 1.247 55 HD13 LEU 9 3HD1 LEU 9 -14.660 -1.845 2.375 56 HD21 LEU 9 3HD2 LEU 9 -15.629 -4.415 4.364 57 HD22 LEU 9 1HD2 LEU 9 -14.853 -2.992 5.097 58 HD23 LEU 9 2HD2 LEU 9 -14.062 -4.582 5.163 59 H ARG 10 H ARG 10 -13.860 -5.313 0.033 60 HA ARG 10 HA ARG 10 -12.301 -7.640 -0.979 61 HB2 ARG 10 1HB ARG 10 -14.641 -8.117 -1.515 62 HB3 ARG 10 2HB ARG 10 -14.839 -6.548 -2.276 63 HG2 ARG 10 1HG ARG 10 -14.620 -8.348 -3.918 64 HG3 ARG 10 2HG ARG 10 -13.297 -7.195 -4.091 65 HD2 ARG 10 1HD ARG 10 -11.764 -8.693 -2.925 66 HD3 ARG 10 2HD ARG 10 -13.089 -9.818 -2.555 67 HE ARG 10 HE ARG 10 -13.075 -9.555 -5.344 68 HH11 ARG 10 1HH1 ARG 10 -10.779 -10.720 -2.986 69 HH12 ARG 10 2HH1 ARG 10 -10.039 -11.834 -4.101 70 HH21 ARG 10 1HH2 ARG 10 -12.136 -11.011 -6.719 71 HH22 ARG 10 2HH2 ARG 10 -10.822 -12.007 -6.165 72 H GLU 11 H GLU 11 -13.664 -4.937 -2.727 73 HA GLU 11 HA GLU 11 -11.169 -3.426 -2.975 74 HB2 GLU 11 1HB GLU 11 -11.768 -5.551 -4.903 75 HB3 GLU 11 2HB GLU 11 -11.687 -3.978 -5.690 76 HG2 GLU 11 1HG GLU 11 -9.493 -3.557 -4.645 77 HG3 GLU 11 2HG GLU 11 -9.513 -5.172 -3.928 78 H ILE 12 H ILE 12 -14.279 -4.122 -4.612 79 HA ILE 12 HA ILE 12 -14.758 -1.522 -5.586 80 HB ILE 12 HB ILE 12 -15.863 -3.409 -6.512 81 HG12 ILE 12 1HG1 ILE 12 -18.140 -2.595 -6.724 82 HG13 ILE 12 2HG1 ILE 12 -17.994 -1.609 -5.272 83 HG21 ILE 12 1HG2 ILE 12 -17.056 -4.998 -5.452 84 HG22 ILE 12 2HG2 ILE 12 -16.340 -4.382 -3.955 85 HG23 ILE 12 3HG2 ILE 12 -17.940 -3.836 -4.445 86 HD11 ILE 12 3HD1 ILE 12 -16.061 -1.117 -7.546 87 HD12 ILE 12 1HD1 ILE 12 -17.732 -0.534 -7.669 88 HD13 ILE 12 2HD1 ILE 12 -16.708 0.017 -6.335 89 H ILE 13 H ILE 13 -14.914 0.236 -4.530 90 HA ILE 13 HA ILE 13 -16.723 0.594 -2.226 91 HB ILE 13 HB ILE 13 -14.958 1.813 -1.016 92 HG12 ILE 13 1HG1 ILE 13 -12.519 0.908 -1.582 93 HG13 ILE 13 2HG1 ILE 13 -13.125 0.789 -3.210 94 HG21 ILE 13 1HG2 ILE 13 -14.191 -1.085 -1.378 95 HG22 ILE 13 2HG2 ILE 13 -13.991 -0.071 0.055 96 HG23 ILE 13 3HG2 ILE 13 -15.613 -0.523 -0.467 97 HD11 ILE 13 3HD1 ILE 13 -13.571 3.217 -3.254 98 HD12 ILE 13 1HD1 ILE 13 -13.017 3.339 -1.563 99 HD13 ILE 13 2HD1 ILE 13 -11.891 2.856 -2.822 100 H SER 14 H SER 14 -16.583 2.999 -1.558 101 HA SER 14 HA SER 14 -16.658 4.787 -3.957 102 HB2 SER 14 1HB SER 14 -18.896 4.235 -2.857 103 HB3 SER 14 2HB SER 14 -18.308 5.137 -1.444 104 HG SER 14 HG SER 14 -19.506 6.450 -2.939 105 H GLU 15 H GLU 15 -16.641 7.159 -2.986 106 HA GLU 15 HA GLU 15 -14.009 7.794 -2.219 107 HB2 GLU 15 1HB GLU 15 -15.949 9.274 -3.168 108 HB3 GLU 15 2HB GLU 15 -16.386 9.510 -1.477 109 HG2 GLU 15 1HG GLU 15 -13.627 10.053 -1.524 110 HG3 GLU 15 2HG GLU 15 -14.166 10.622 -3.095 111 H GLU 16 H GLU 16 -16.660 6.937 -0.128 112 HA GLU 16 HA GLU 16 -15.792 7.833 2.421 113 HB2 GLU 16 1HB GLU 16 -17.417 5.465 1.451 114 HB3 GLU 16 2HB GLU 16 -16.977 5.570 3.150 115 HG2 GLU 16 1HG GLU 16 -18.498 7.712 1.616 116 HG3 GLU 16 2HG GLU 16 -19.216 6.509 2.687 117 H ASP 17 H ASP 17 -15.131 4.546 1.082 118 HA ASP 17 HA ASP 17 -13.232 3.820 3.132 119 HB2 ASP 17 1HB ASP 17 -14.076 2.028 1.968 120 HB3 ASP 17 2HB ASP 17 -13.936 2.851 0.411 121 H VAL 18 H VAL 18 -12.848 5.415 -0.067 122 HA VAL 18 HA VAL 18 -10.056 5.456 -0.114 123 HB VAL 18 HB VAL 18 -11.796 7.675 -1.216 124 HG11 VAL 18 1HG1 VAL 18 -8.872 7.211 -1.256 125 HG12 VAL 18 2HG1 VAL 18 -9.565 7.447 -2.841 126 HG13 VAL 18 3HG1 VAL 18 -9.821 8.665 -1.576 127 HG21 VAL 18 3HG2 VAL 18 -12.584 5.728 -2.250 128 HG22 VAL 18 1HG2 VAL 18 -11.366 6.292 -3.385 129 HG23 VAL 18 2HG2 VAL 18 -10.996 4.959 -2.278 130 H LYS 19 H LYS 19 -12.204 7.506 1.832 131 HA LYS 19 HA LYS 19 -10.022 9.235 2.746 132 HB2 LYS 19 1HB LYS 19 -12.637 8.785 4.238 133 HB3 LYS 19 2HB LYS 19 -11.583 10.192 4.242 134 HG2 LYS 19 1HG LYS 19 -12.296 10.016 1.537 135 HG3 LYS 19 2HG LYS 19 -13.725 9.366 2.367 136 HD2 LYS 19 1HD LYS 19 -14.101 11.676 2.076 137 HD3 LYS 19 2HD LYS 19 -13.735 11.437 3.794 138 HE2 LYS 19 1HE LYS 19 -11.211 11.823 2.560 139 HE3 LYS 19 2HE LYS 19 -12.271 12.918 1.673 140 HZ1 LYS 19 3HZ LYS 19 -11.390 14.074 3.569 141 HZ2 LYS 19 1HZ LYS 19 -11.818 12.894 4.611 142 HZ3 LYS 19 2HZ LYS 19 -12.969 13.809 3.894 143 H GLN 20 H GLN 20 -11.763 6.488 4.204 144 HA GLN 20 HA GLN 20 -10.263 6.430 6.651 145 HB2 GLN 20 1HB GLN 20 -12.380 5.380 6.584 146 HB3 GLN 20 2HB GLN 20 -11.915 4.285 5.272 147 HG2 GLN 20 1HG GLN 20 -10.495 2.996 6.660 148 HG3 GLN 20 2HG GLN 20 -10.349 4.275 7.870 149 HE21 GLN 20 2HE2 GLN 20 -10.761 2.086 9.131 150 HE22 GLN 20 1HE2 GLN 20 -12.452 1.895 9.579 151 H VAL 21 H VAL 21 -9.798 4.452 3.672 152 HA VAL 21 HA VAL 21 -7.497 3.050 4.569 153 HB VAL 21 HB VAL 21 -8.846 2.497 2.584 154 HG11 VAL 21 1HG1 VAL 21 -8.818 3.626 0.635 155 HG12 VAL 21 2HG1 VAL 21 -8.743 4.983 1.739 156 HG13 VAL 21 3HG1 VAL 21 -7.259 4.460 0.950 157 HG21 VAL 21 3HG2 VAL 21 -7.053 1.694 1.191 158 HG22 VAL 21 1HG2 VAL 21 -5.911 2.854 1.902 159 HG23 VAL 21 2HG2 VAL 21 -6.570 1.532 2.892 160 H TYR 22 H TYR 22 -7.706 6.293 3.027 161 HA TYR 22 HA TYR 22 -4.909 6.775 2.945 162 HB2 TYR 22 1HB TYR 22 -7.329 8.451 2.716 163 HB3 TYR 22 2HB TYR 22 -5.887 9.264 3.277 164 HD1 TYR 22 HD2 TYR 22 -6.975 6.906 0.563 165 HD2 TYR 22 HD1 TYR 22 -4.261 10.018 1.779 166 HE1 TYR 22 HE2 TYR 22 -6.249 7.187 -1.801 167 HE2 TYR 22 HE1 TYR 22 -3.473 10.235 -0.577 168 HH TYR 22 HH TYR 22 -4.085 9.784 -2.765 169 H SER 23 H SER 23 -7.155 6.965 5.633 170 HA SER 23 HA SER 23 -5.314 8.364 7.443 171 HB2 SER 23 1HB SER 23 -7.630 8.734 7.766 172 HB3 SER 23 2HB SER 23 -8.002 7.010 7.786 173 HG SER 23 HG SER 23 -7.984 7.697 9.882 174 H ILE 24 H ILE 24 -6.080 5.008 6.669 175 HA ILE 24 HA ILE 24 -4.842 3.763 8.953 176 HB ILE 24 HB ILE 24 -5.238 2.640 6.150 177 HG12 ILE 24 1HG1 ILE 24 -6.905 2.165 8.670 178 HG13 ILE 24 2HG1 ILE 24 -7.340 3.309 7.420 179 HG21 ILE 24 1HG2 ILE 24 -3.537 1.344 7.306 180 HG22 ILE 24 2HG2 ILE 24 -4.526 1.260 8.779 181 HG23 ILE 24 3HG2 ILE 24 -5.033 0.419 7.306 182 HD11 ILE 24 3HD1 ILE 24 -7.343 0.312 7.260 183 HD12 ILE 24 1HD1 ILE 24 -8.581 1.483 6.771 184 HD13 ILE 24 2HD1 ILE 24 -7.125 1.259 5.778 185 H LEU 25 H LEU 25 -3.500 4.306 5.630 186 HA LEU 25 HA LEU 25 -0.829 3.581 6.579 187 HB2 LEU 25 1HB LEU 25 -0.316 4.427 4.166 188 HB3 LEU 25 2HB LEU 25 -0.904 2.822 4.463 189 HG LEU 25 HG LEU 25 -3.151 3.481 3.709 190 HD11 LEU 25 1HD1 LEU 25 -1.857 6.214 3.574 191 HD12 LEU 25 2HD1 LEU 25 -3.393 5.734 4.226 192 HD13 LEU 25 3HD1 LEU 25 -3.156 5.794 2.463 193 HD21 LEU 25 3HD2 LEU 25 -0.917 4.263 1.795 194 HD22 LEU 25 1HD2 LEU 25 -2.595 3.900 1.343 195 HD23 LEU 25 2HD2 LEU 25 -1.584 2.639 2.057 196 H LYS 26 H LYS 26 -2.554 6.469 6.743 197 HA LYS 26 HA LYS 26 -0.603 8.433 6.212 198 HB2 LYS 26 1HB LYS 26 -3.202 8.432 7.190 199 HB3 LYS 26 2HB LYS 26 -2.324 8.914 8.608 200 HG2 LYS 26 1HG LYS 26 -2.995 10.903 7.459 201 HG3 LYS 26 2HG LYS 26 -1.252 10.738 7.269 202 HD2 LYS 26 1HD LYS 26 -1.984 9.528 4.953 203 HD3 LYS 26 2HD LYS 26 -3.487 10.370 5.232 204 HE2 LYS 26 1HE LYS 26 -2.006 11.612 3.731 205 HE3 LYS 26 2HE LYS 26 -2.354 12.544 5.188 206 HZ1 LYS 26 3HZ LYS 26 -0.184 12.228 5.966 207 HZ2 LYS 26 1HZ LYS 26 0.096 12.385 4.366 208 HZ3 LYS 26 2HZ LYS 26 0.105 10.909 5.055 209 H GLU 27 H GLU 27 -0.729 6.287 8.905 210 HA GLU 27 HA GLU 27 1.179 7.744 10.574 211 HB2 GLU 27 1HB GLU 27 -0.577 6.204 11.451 212 HB3 GLU 27 2HB GLU 27 0.267 4.836 10.720 213 HG2 GLU 27 1HG GLU 27 1.907 4.811 12.316 214 HG3 GLU 27 2HG GLU 27 2.010 6.562 12.409 215 H LYS 28 H LYS 28 3.327 7.461 10.767 216 HA LYS 28 HA LYS 28 4.727 5.723 8.781 217 HB2 LYS 28 1HB LYS 28 5.820 8.201 10.130 218 HB3 LYS 28 2HB LYS 28 6.491 7.288 8.779 219 HG2 LYS 28 1HG LYS 28 3.901 8.013 7.884 220 HG3 LYS 28 2HG LYS 28 4.447 9.417 8.800 221 HD2 LYS 28 1HD LYS 28 5.759 8.073 6.421 222 HD3 LYS 28 2HD LYS 28 5.012 9.659 6.462 223 HE2 LYS 28 1HE LYS 28 6.953 10.614 6.973 224 HE3 LYS 28 2HE LYS 28 6.982 9.761 8.505 225 HZ1 LYS 28 3HZ LYS 28 8.208 7.963 7.482 226 HZ2 LYS 28 1HZ LYS 28 8.972 9.335 7.055 227 HZ3 LYS 28 2HZ LYS 28 8.007 8.561 5.971 228 H ASP 29 H ASP 29 3.930 5.425 11.823 229 HA ASP 29 HA ASP 29 6.517 4.473 12.959 230 HB2 ASP 29 1HB ASP 29 3.778 5.029 14.155 231 HB3 ASP 29 2HB ASP 29 5.105 4.318 15.070 232 H ILE 30 H ILE 30 4.301 3.103 11.043 233 HA ILE 30 HA ILE 30 3.846 0.536 12.331 234 HB ILE 30 HB ILE 30 2.864 -0.148 10.216 235 HG12 ILE 30 1HG1 ILE 30 2.719 1.861 8.472 236 HG13 ILE 30 2HG1 ILE 30 4.233 2.320 9.183 237 HG21 ILE 30 1HG2 ILE 30 2.044 2.627 11.169 238 HG22 ILE 30 2HG2 ILE 30 1.125 1.694 10.003 239 HG23 ILE 30 3HG2 ILE 30 1.379 1.045 11.628 240 HD11 ILE 30 3HD1 ILE 30 5.297 0.274 8.387 241 HD12 ILE 30 1HD1 ILE 30 3.727 -0.490 8.080 242 HD13 ILE 30 2HD1 ILE 30 4.287 0.839 7.060 243 H SER 31 H SER 31 6.668 1.807 11.034 244 HA SER 31 HA SER 31 7.698 -0.057 9.248 245 HB2 SER 31 1HB SER 31 9.946 0.778 9.948 246 HB3 SER 31 2HB SER 31 8.773 2.024 9.514 247 HG SER 31 HG SER 31 9.786 1.354 12.061 248 H VAL 32 H VAL 32 7.619 -2.189 9.512 249 HA VAL 32 HA VAL 32 7.965 -3.477 12.068 250 HB VAL 32 HB VAL 32 7.781 -4.732 9.289 251 HG11 VAL 32 1HG1 VAL 32 6.829 -6.582 11.070 252 HG12 VAL 32 2HG1 VAL 32 8.527 -6.536 10.529 253 HG13 VAL 32 3HG1 VAL 32 8.027 -5.840 12.088 254 HG21 VAL 32 3HG2 VAL 32 5.766 -3.409 9.921 255 HG22 VAL 32 1HG2 VAL 32 5.457 -5.127 9.839 256 HG23 VAL 32 2HG2 VAL 32 5.639 -4.343 11.426 257 H ASP 33 H ASP 33 9.660 -4.566 12.926 258 HA ASP 33 HA ASP 33 12.358 -3.970 12.252 259 HB2 ASP 33 1HB ASP 33 10.991 -6.024 14.005 260 HB3 ASP 33 2HB ASP 33 12.728 -6.108 13.757 261 H SER 34 H SER 34 14.039 -5.153 11.327 262 HA SER 34 HA SER 34 13.518 -6.551 8.991 263 HB2 SER 34 1HB SER 34 16.166 -7.166 10.056 264 HB3 SER 34 2HB SER 34 15.694 -6.256 8.621 265 HG SER 34 HG SER 34 16.753 -5.298 10.804 266 H THR 35 H THR 35 14.301 -7.904 12.184 267 HA THR 35 HA THR 35 14.667 -10.632 11.463 268 HB THR 35 HB THR 35 13.515 -9.469 14.032 269 HG1 THR 35 HG1 THR 35 15.707 -9.678 14.690 270 HG21 THR 35 3HG2 THR 35 14.460 -11.512 15.101 271 HG22 THR 35 1HG2 THR 35 14.844 -12.164 13.492 272 HG23 THR 35 2HG2 THR 35 13.153 -11.901 13.980 273 H THR 36 H THR 36 11.700 -8.841 12.247 274 HA THR 36 HA THR 36 9.966 -11.194 11.753 275 HB THR 36 HB THR 36 9.287 -8.323 12.487 276 HG1 THR 36 HG1 THR 36 10.333 -9.550 14.097 277 HG21 THR 36 3HG2 THR 36 7.308 -9.086 11.507 278 HG22 THR 36 1HG2 THR 36 7.079 -9.519 13.203 279 HG23 THR 36 2HG2 THR 36 7.549 -10.771 12.032 280 H TRP 37 H TRP 37 11.085 -8.349 9.977 281 HA TRP 37 HA TRP 37 9.237 -8.124 8.003 282 HB2 TRP 37 1HB TRP 37 11.064 -6.599 8.102 283 HB3 TRP 37 2HB TRP 37 12.226 -7.883 7.755 284 HD1 TRP 37 HD1 TRP 37 13.234 -7.157 5.525 285 HE1 TRP 37 HE1 TRP 37 12.313 -6.706 3.154 286 HE3 TRP 37 HE3 TRP 37 8.216 -7.133 6.536 287 HZ2 TRP 37 HZ2 TRP 37 9.723 -6.739 1.832 288 HZ3 TRP 37 HZ3 TRP 37 6.587 -7.142 4.741 289 HH2 TRP 37 HH2 TRP 37 7.284 -6.957 2.368 290 H ASN 38 H ASN 38 11.849 -10.511 7.996 291 HA ASN 38 HA ASN 38 11.430 -11.765 5.510 292 HB2 ASN 38 1HB ASN 38 12.549 -12.578 8.182 293 HB3 ASN 38 2HB ASN 38 12.062 -13.898 7.128 294 HD21 ASN 38 2HD2 ASN 38 14.319 -11.129 7.388 295 HD22 ASN 38 1HD2 ASN 38 15.330 -11.738 6.083 296 H ARG 39 H ARG 39 9.581 -12.323 8.498 297 HA ARG 39 HA ARG 39 7.852 -14.391 7.251 298 HB2 ARG 39 1HB ARG 39 7.847 -13.099 10.015 299 HB3 ARG 39 2HB ARG 39 6.586 -14.189 9.445 300 HG2 ARG 39 1HG ARG 39 8.090 -15.480 10.748 301 HG3 ARG 39 2HG ARG 39 8.273 -15.980 9.062 302 HD2 ARG 39 1HD ARG 39 10.339 -14.758 8.847 303 HD3 ARG 39 2HD ARG 39 10.108 -13.972 10.430 304 HE ARG 39 HE ARG 39 10.154 -16.799 10.799 305 HH11 ARG 39 1HH1 ARG 39 12.391 -14.217 10.047 306 HH12 ARG 39 2HH1 ARG 39 13.783 -15.158 10.506 307 HH21 ARG 39 1HH2 ARG 39 11.950 -17.894 11.509 308 HH22 ARG 39 2HH2 ARG 39 13.522 -17.166 11.373 309 H ARG 40 H ARG 40 7.612 -11.004 8.231 310 HA ARG 40 HA ARG 40 4.881 -10.479 7.629 311 HB2 ARG 40 1HB ARG 40 7.365 -8.830 7.505 312 HB3 ARG 40 2HB ARG 40 5.829 -8.122 7.022 313 HG2 ARG 40 1HG ARG 40 6.174 -9.536 9.676 314 HG3 ARG 40 2HG ARG 40 6.630 -7.836 9.409 315 HD2 ARG 40 1HD ARG 40 4.540 -7.083 9.313 316 HD3 ARG 40 2HD ARG 40 3.906 -8.517 8.487 317 HE ARG 40 HE ARG 40 4.310 -9.537 10.933 318 HH11 ARG 40 1HH1 ARG 40 2.558 -6.706 9.889 319 HH12 ARG 40 2HH1 ARG 40 1.387 -6.849 11.177 320 HH21 ARG 40 1HH2 ARG 40 2.816 -9.678 12.531 321 HH22 ARG 40 2HH2 ARG 40 1.534 -8.510 12.638 322 H TYR 41 H TYR 41 7.647 -10.657 5.432 323 HA TYR 41 HA TYR 41 6.462 -9.783 3.064 324 HB2 TYR 41 1HB TYR 41 8.882 -10.702 3.629 325 HB3 TYR 41 2HB TYR 41 8.250 -12.224 3.019 326 HD1 TYR 41 HD1 TYR 41 6.903 -11.932 0.636 327 HD2 TYR 41 HD2 TYR 41 9.998 -9.343 2.143 328 HE1 TYR 41 HE1 TYR 41 7.120 -10.881 -1.602 329 HE2 TYR 41 HE2 TYR 41 10.234 -8.309 -0.128 330 HH TYR 41 HH TYR 41 9.475 -8.348 -2.366 331 H ARG 42 H ARG 42 6.156 -12.952 4.616 332 HA ARG 42 HA ARG 42 4.698 -14.308 2.504 333 HB2 ARG 42 1HB ARG 42 4.841 -14.931 5.487 334 HB3 ARG 42 2HB ARG 42 4.150 -15.981 4.277 335 HG2 ARG 42 1HG ARG 42 6.962 -15.045 3.752 336 HG3 ARG 42 2HG ARG 42 6.734 -16.110 5.129 337 HD2 ARG 42 1HD ARG 42 5.566 -16.772 2.395 338 HD3 ARG 42 2HD ARG 42 7.234 -17.170 2.789 339 HE ARG 42 HE ARG 42 4.841 -18.526 3.750 340 HH11 ARG 42 1HH1 ARG 42 8.178 -17.926 4.585 341 HH12 ARG 42 2HH1 ARG 42 8.261 -19.287 5.668 342 HH21 ARG 42 1HH2 ARG 42 4.996 -20.256 5.143 343 HH22 ARG 42 2HH2 ARG 42 6.498 -20.571 5.960 344 H GLU 43 H GLU 43 3.501 -13.105 5.645 345 HA GLU 43 HA GLU 43 0.723 -13.458 5.078 346 HB2 GLU 43 1HB GLU 43 0.300 -11.643 6.749 347 HB3 GLU 43 2HB GLU 43 1.267 -13.018 7.313 348 HG2 GLU 43 1HG GLU 43 3.309 -11.667 7.026 349 HG3 GLU 43 2HG GLU 43 2.320 -10.264 6.575 350 H TYR 44 H TYR 44 2.686 -10.491 4.524 351 HA TYR 44 HA TYR 44 0.620 -9.026 3.215 352 HB2 TYR 44 1HB TYR 44 3.631 -8.891 3.040 353 HB3 TYR 44 2HB TYR 44 2.560 -7.687 2.380 354 HD1 TYR 44 HD2 TYR 44 0.633 -8.159 5.104 355 HD2 TYR 44 HD1 TYR 44 4.670 -7.008 4.181 356 HE1 TYR 44 HE2 TYR 44 0.769 -6.950 7.265 357 HE2 TYR 44 HE1 TYR 44 4.880 -5.952 6.508 358 HH TYR 44 HH TYR 44 3.218 -4.787 8.057 359 H MET 45 H MET 45 2.991 -11.333 1.809 360 HA MET 45 HA MET 45 2.295 -10.943 -0.901 361 HB2 MET 45 1HB MET 45 3.612 -13.107 0.671 362 HB3 MET 45 2HB MET 45 2.721 -13.694 -0.712 363 HG2 MET 45 1HG MET 45 3.904 -11.904 -2.085 364 HG3 MET 45 2HG MET 45 5.007 -11.730 -0.714 365 HE1 MET 45 3HE MET 45 6.372 -13.953 -3.954 366 HE2 MET 45 1HE MET 45 5.337 -12.515 -3.829 367 HE3 MET 45 2HE MET 45 6.913 -12.558 -3.002 368 H GLU 46 H GLU 46 0.546 -12.754 1.600 369 HA GLU 46 HA GLU 46 -1.353 -13.963 -0.292 370 HB2 GLU 46 1HB GLU 46 -1.662 -13.673 2.700 371 HB3 GLU 46 2HB GLU 46 -2.537 -14.761 1.595 372 HG2 GLU 46 1HG GLU 46 -0.518 -15.987 1.085 373 HG3 GLU 46 2HG GLU 46 0.461 -14.889 2.025 374 H LYS 47 H LYS 47 -1.325 -11.136 1.871 375 HA LYS 47 HA LYS 47 -4.007 -10.325 1.532 376 HB2 LYS 47 1HB LYS 47 -1.454 -8.889 2.198 377 HB3 LYS 47 2HB LYS 47 -2.787 -7.898 1.639 378 HG2 LYS 47 1HG LYS 47 -2.854 -7.803 3.916 379 HG3 LYS 47 2HG LYS 47 -4.232 -8.806 3.455 380 HD2 LYS 47 1HD LYS 47 -3.126 -10.794 4.288 381 HD3 LYS 47 2HD LYS 47 -1.552 -9.951 4.324 382 HE2 LYS 47 1HE LYS 47 -2.472 -8.345 5.984 383 HE3 LYS 47 2HE LYS 47 -3.930 -9.351 6.092 384 HZ1 LYS 47 3HZ LYS 47 -1.174 -10.116 6.878 385 HZ2 LYS 47 1HZ LYS 47 -2.397 -11.209 6.759 386 HZ3 LYS 47 2HZ LYS 47 -2.476 -9.992 7.845 387 H ILE 48 H ILE 48 -1.534 -10.302 -0.848 388 HA ILE 48 HA ILE 48 -2.638 -8.267 -2.572 389 HB ILE 48 HB ILE 48 -0.888 -10.516 -3.551 390 HG12 ILE 48 1HG1 ILE 48 0.277 -9.918 -1.571 391 HG13 ILE 48 2HG1 ILE 48 1.092 -9.123 -2.900 392 HG21 ILE 48 1HG2 ILE 48 -1.161 -7.554 -4.229 393 HG22 ILE 48 2HG2 ILE 48 0.076 -8.645 -4.872 394 HG23 ILE 48 3HG2 ILE 48 -1.625 -8.932 -5.246 395 HD11 ILE 48 3HD1 ILE 48 -0.243 -6.986 -2.287 396 HD12 ILE 48 1HD1 ILE 48 -0.707 -7.829 -0.803 397 HD13 ILE 48 2HD1 ILE 48 1.005 -7.539 -1.166 398 H LYS 49 H LYS 49 -3.494 -11.489 -1.975 399 HA LYS 49 HA LYS 49 -5.241 -11.752 -4.416 400 HB2 LYS 49 1HB LYS 49 -3.955 -13.914 -2.704 401 HB3 LYS 49 2HB LYS 49 -4.876 -14.168 -4.185 402 HG2 LYS 49 1HG LYS 49 -3.172 -13.216 -5.560 403 HG3 LYS 49 2HG LYS 49 -2.282 -12.545 -4.189 404 HD2 LYS 49 1HD LYS 49 -2.669 -15.524 -4.608 405 HD3 LYS 49 2HD LYS 49 -1.274 -14.610 -5.184 406 HE2 LYS 49 1HE LYS 49 -1.746 -13.985 -2.366 407 HE3 LYS 49 2HE LYS 49 -1.731 -15.730 -2.569 408 HZ1 LYS 49 3HZ LYS 49 0.501 -15.103 -2.232 409 HZ2 LYS 49 1HZ LYS 49 0.422 -13.814 -3.218 410 HZ3 LYS 49 2HZ LYS 49 0.440 -15.338 -3.847 411 H THR 50 H THR 50 -4.994 -12.215 -0.946 412 HA THR 50 HA THR 50 -7.905 -12.949 -0.747 413 HB THR 50 HB THR 50 -7.475 -14.135 1.203 414 HG1 THR 50 HG1 THR 50 -5.545 -14.028 2.338 415 HG21 THR 50 3HG2 THR 50 -4.855 -14.588 -0.263 416 HG22 THR 50 1HG2 THR 50 -6.417 -15.205 -0.871 417 HG23 THR 50 2HG2 THR 50 -5.786 -15.754 0.699 418 H GLY 51 H GLY 51 -5.505 -10.683 0.286 419 HA2 GLY 51 1HA GLY 51 -6.907 -9.455 2.468 420 HA3 GLY 51 2HA GLY 51 -5.556 -8.752 1.581 421 H SER 52 H SER 52 -7.994 -7.629 2.569 422 HA SER 52 HA SER 52 -9.652 -6.826 0.302 423 HB2 SER 52 1HB SER 52 -9.439 -5.881 3.190 424 HB3 SER 52 2HB SER 52 -10.760 -5.503 2.063 425 HG SER 52 HG SER 52 -11.135 -7.831 1.958 426 H VAL 53 H VAL 53 -10.107 -4.440 0.025 427 HA VAL 53 HA VAL 53 -8.051 -2.839 -0.821 428 HB VAL 53 HB VAL 53 -10.228 -2.236 -1.398 429 HG11 VAL 53 1HG1 VAL 53 -11.958 -1.471 0.127 430 HG12 VAL 53 2HG1 VAL 53 -11.454 -3.095 0.587 431 HG13 VAL 53 3HG1 VAL 53 -10.890 -1.690 1.520 432 HG21 VAL 53 3HG2 VAL 53 -9.626 0.026 0.521 433 HG22 VAL 53 1HG2 VAL 53 -8.561 -0.293 -0.827 434 HG23 VAL 53 2HG2 VAL 53 -10.272 0.084 -1.126 435 H PHE 54 H PHE 54 -9.445 -2.553 2.454 436 HA PHE 54 HA PHE 54 -7.631 -0.600 3.427 437 HB2 PHE 54 1HB PHE 54 -9.201 -2.782 4.858 438 HB3 PHE 54 2HB PHE 54 -8.338 -1.499 5.678 439 HD1 PHE 54 HD1 PHE 54 -8.950 0.985 4.388 440 HD2 PHE 54 HD2 PHE 54 -11.559 -2.422 4.848 441 HE1 PHE 54 HE1 PHE 54 -10.932 2.457 4.208 442 HE2 PHE 54 HE2 PHE 54 -13.520 -0.900 4.770 443 HZ PHE 54 HZ PHE 54 -13.205 1.526 4.472 444 H GLU 55 H GLU 55 -7.147 -4.000 2.920 445 HA GLU 55 HA GLU 55 -4.695 -4.121 4.565 446 HB2 GLU 55 1HB GLU 55 -5.827 -6.276 2.743 447 HB3 GLU 55 2HB GLU 55 -4.502 -6.378 3.893 448 HG2 GLU 55 1HG GLU 55 -6.394 -5.470 5.586 449 HG3 GLU 55 2HG GLU 55 -7.448 -6.276 4.416 450 H ILE 56 H ILE 56 -5.489 -4.366 1.025 451 HA ILE 56 HA ILE 56 -2.914 -4.554 -0.024 452 HB ILE 56 HB ILE 56 -5.342 -3.080 -1.043 453 HG12 ILE 56 1HG1 ILE 56 -5.418 -5.565 -0.885 454 HG13 ILE 56 2HG1 ILE 56 -5.645 -4.910 -2.507 455 HG21 ILE 56 1HG2 ILE 56 -2.664 -3.350 -2.454 456 HG22 ILE 56 2HG2 ILE 56 -4.211 -3.021 -3.277 457 HG23 ILE 56 3HG2 ILE 56 -3.587 -1.874 -2.118 458 HD11 ILE 56 3HD1 ILE 56 -3.116 -6.204 -1.416 459 HD12 ILE 56 1HD1 ILE 56 -4.266 -6.874 -2.596 460 HD13 ILE 56 2HD1 ILE 56 -3.262 -5.483 -3.033 461 H ALA 57 H ALA 57 -4.614 -1.504 0.775 462 HA ALA 57 HA ALA 57 -2.354 0.134 0.179 463 HB1 ALA 57 3HB ALA 57 -4.906 0.675 0.731 464 HB2 ALA 57 1HB ALA 57 -4.229 0.995 2.350 465 HB3 ALA 57 2HB ALA 57 -3.637 1.877 0.923 466 H GLU 58 H GLU 58 -3.142 -1.584 3.225 467 HA GLU 58 HA GLU 58 -0.949 -0.431 4.758 468 HB2 GLU 58 1HB GLU 58 -2.831 -2.773 5.102 469 HB3 GLU 58 2HB GLU 58 -1.326 -2.772 6.001 470 HG2 GLU 58 1HG GLU 58 -2.085 -0.281 6.581 471 HG3 GLU 58 2HG GLU 58 -3.672 -0.939 6.212 472 H VAL 59 H VAL 59 -1.249 -3.216 2.599 473 HA VAL 59 HA VAL 59 1.225 -4.471 3.242 474 HB VAL 59 HB VAL 59 -0.189 -4.493 0.532 475 HG11 VAL 59 1HG1 VAL 59 1.778 -5.412 -0.106 476 HG12 VAL 59 2HG1 VAL 59 2.342 -5.660 1.556 477 HG13 VAL 59 3HG1 VAL 59 1.267 -6.829 0.825 478 HG21 VAL 59 3HG2 VAL 59 -0.704 -6.903 1.489 479 HG22 VAL 59 1HG2 VAL 59 -0.584 -6.073 3.058 480 HG23 VAL 59 2HG2 VAL 59 -1.742 -5.556 1.810 481 H LEU 60 H LEU 60 0.595 -2.403 0.365 482 HA LEU 60 HA LEU 60 3.321 -2.208 -0.341 483 HB2 LEU 60 1HB LEU 60 2.538 -1.233 -2.095 484 HB3 LEU 60 2HB LEU 60 0.934 -1.403 -1.464 485 HG LEU 60 HG LEU 60 2.626 1.098 -0.987 486 HD11 LEU 60 1HD1 LEU 60 1.609 2.061 -2.857 487 HD12 LEU 60 2HD1 LEU 60 0.512 0.659 -3.093 488 HD13 LEU 60 3HD1 LEU 60 2.255 0.515 -3.372 489 HD21 LEU 60 3HD2 LEU 60 0.178 2.023 -0.832 490 HD22 LEU 60 1HD2 LEU 60 0.830 1.198 0.546 491 HD23 LEU 60 2HD2 LEU 60 -0.263 0.325 -0.529 492 H ARG 61 H ARG 61 1.528 -0.237 1.899 493 HA ARG 61 HA ARG 61 3.346 1.895 2.421 494 HB2 ARG 61 1HB ARG 61 1.021 1.872 3.198 495 HB3 ARG 61 2HB ARG 61 1.295 0.405 4.080 496 HG2 ARG 61 1HG ARG 61 3.123 2.012 5.384 497 HG3 ARG 61 2HG ARG 61 1.965 3.212 4.866 498 HD2 ARG 61 1HD ARG 61 1.299 2.473 6.998 499 HD3 ARG 61 2HD ARG 61 0.144 1.792 5.852 500 HE ARG 61 HE ARG 61 2.099 -0.199 6.189 501 HH11 ARG 61 1HH1 ARG 61 -0.398 1.326 8.072 502 HH12 ARG 61 2HH1 ARG 61 -0.872 -0.182 8.806 503 HH21 ARG 61 1HH2 ARG 61 1.815 -1.977 7.566 504 HH22 ARG 61 2HH2 ARG 61 0.502 -1.892 8.707 505 H ASP 62 H ASP 62 3.070 -1.323 3.901 506 HA ASP 62 HA ASP 62 5.111 -1.020 5.861 507 HB2 ASP 62 1HB ASP 62 3.353 -3.064 5.051 508 HB3 ASP 62 2HB ASP 62 4.946 -3.726 4.715 509 H LEU 63 H LEU 63 5.309 -2.395 2.562 510 HA LEU 63 HA LEU 63 8.161 -2.737 2.542 511 HB2 LEU 63 1HB LEU 63 6.160 -2.440 0.279 512 HB3 LEU 63 2HB LEU 63 7.872 -2.741 0.062 513 HG LEU 63 HG LEU 63 7.285 -4.708 1.876 514 HD11 LEU 63 1HD1 LEU 63 4.892 -4.530 0.007 515 HD12 LEU 63 2HD1 LEU 63 4.890 -4.252 1.770 516 HD13 LEU 63 3HD1 LEU 63 5.264 -5.844 1.152 517 HD21 LEU 63 3HD2 LEU 63 8.518 -5.467 0.124 518 HD22 LEU 63 1HD2 LEU 63 7.537 -4.613 -1.089 519 HD23 LEU 63 2HD2 LEU 63 6.968 -6.128 -0.387 520 H TYR 64 H TYR 64 6.182 0.044 1.443 521 HA TYR 64 HA TYR 64 8.288 1.651 0.475 522 HB2 TYR 64 1HB TYR 64 5.512 2.069 1.331 523 HB3 TYR 64 2HB TYR 64 6.536 3.448 1.655 524 HD1 TYR 64 HD1 TYR 64 8.086 4.301 -0.231 525 HD2 TYR 64 HD2 TYR 64 4.738 1.695 -0.890 526 HE1 TYR 64 HE1 TYR 64 7.830 5.207 -2.539 527 HE2 TYR 64 HE2 TYR 64 4.593 2.451 -3.232 528 HH TYR 64 HH TYR 64 6.582 5.243 -4.405 529 H LEU 65 H LEU 65 7.022 1.554 3.823 530 HA LEU 65 HA LEU 65 9.049 3.405 4.812 531 HB2 LEU 65 1HB LEU 65 7.118 1.517 6.201 532 HB3 LEU 65 2HB LEU 65 8.176 2.643 7.055 533 HG LEU 65 HG LEU 65 5.935 3.396 5.123 534 HD11 LEU 65 1HD1 LEU 65 5.656 2.593 7.611 535 HD12 LEU 65 2HD1 LEU 65 4.730 3.987 7.022 536 HD13 LEU 65 3HD1 LEU 65 6.204 4.204 8.019 537 HD21 LEU 65 3HD2 LEU 65 7.636 5.112 4.863 538 HD22 LEU 65 1HD2 LEU 65 7.949 5.138 6.612 539 HD23 LEU 65 2HD2 LEU 65 6.406 5.745 5.964 540 H LEU 66 H LEU 66 8.892 -0.125 4.608 541 HA LEU 66 HA LEU 66 11.112 -0.782 6.268 542 HB2 LEU 66 1HB LEU 66 9.758 -2.025 3.877 543 HB3 LEU 66 2HB LEU 66 11.256 -2.724 4.440 544 HG LEU 66 HG LEU 66 9.022 -2.222 6.436 545 HD11 LEU 66 1HD1 LEU 66 7.954 -3.501 4.641 546 HD12 LEU 66 2HD1 LEU 66 8.270 -4.546 6.009 547 HD13 LEU 66 3HD1 LEU 66 9.328 -4.587 4.563 548 HD21 LEU 66 3HD2 LEU 66 10.082 -4.196 7.512 549 HD22 LEU 66 1HD2 LEU 66 11.257 -2.891 7.277 550 HD23 LEU 66 2HD2 LEU 66 11.255 -4.293 6.186 551 H LYS 67 H LYS 67 11.013 0.338 2.923 552 HA LYS 67 HA LYS 67 13.964 0.336 2.722 553 HB2 LYS 67 1HB LYS 67 11.789 0.101 0.891 554 HB3 LYS 67 2HB LYS 67 12.615 1.584 0.451 555 HG2 LYS 67 1HG LYS 67 14.128 -1.005 1.013 556 HG3 LYS 67 2HG LYS 67 13.435 -0.696 -0.562 557 HD2 LYS 67 1HD LYS 67 14.890 1.032 -1.077 558 HD3 LYS 67 2HD LYS 67 15.139 1.470 0.615 559 HE2 LYS 67 1HE LYS 67 16.254 -0.974 0.689 560 HE3 LYS 67 2HE LYS 67 16.467 -0.652 -1.032 561 HZ1 LYS 67 3HZ LYS 67 17.472 0.984 1.234 562 HZ2 LYS 67 1HZ LYS 67 17.507 1.520 -0.310 563 HZ3 LYS 67 2HZ LYS 67 18.374 0.199 0.122 564 H GLY 68 H GLY 68 11.409 2.718 3.161 565 HA2 GLY 68 1HA GLY 68 11.566 4.852 4.076 566 HA3 GLY 68 2HA GLY 68 13.299 4.617 4.302 567 H ASP 69 H ASP 69 12.078 4.140 1.086 568 HA ASP 69 HA ASP 69 12.395 6.866 0.166 569 HB2 ASP 69 1HB ASP 69 14.246 6.619 -1.237 570 HB3 ASP 69 2HB ASP 69 14.765 5.984 0.313 571 H LYS 70 H LYS 70 12.253 6.857 -2.321 572 HA LYS 70 HA LYS 70 9.866 5.392 -3.178 573 HB2 LYS 70 1HB LYS 70 10.062 6.787 -5.211 574 HB3 LYS 70 2HB LYS 70 10.097 7.714 -3.717 575 HG2 LYS 70 1HG LYS 70 12.724 7.609 -3.974 576 HG3 LYS 70 2HG LYS 70 12.392 7.141 -5.634 577 HD2 LYS 70 1HD LYS 70 10.976 9.582 -4.563 578 HD3 LYS 70 2HD LYS 70 12.711 9.709 -4.756 579 HE2 LYS 70 1HE LYS 70 11.142 8.557 -7.056 580 HE3 LYS 70 2HE LYS 70 10.965 10.281 -6.729 581 HZ1 LYS 70 3HZ LYS 70 13.711 9.609 -6.662 582 HZ2 LYS 70 1HZ LYS 70 12.946 10.647 -7.659 583 HZ3 LYS 70 2HZ LYS 70 13.082 9.071 -8.065 584 H ASP 71 H ASP 71 13.279 5.255 -4.002 585 HA ASP 71 HA ASP 71 12.939 3.202 -6.072 586 HB2 ASP 71 1HB ASP 71 15.162 4.922 -5.031 587 HB3 ASP 71 2HB ASP 71 15.621 3.367 -5.704 588 H LEU 72 H LEU 72 11.738 1.874 -4.500 589 HA LEU 72 HA LEU 72 12.877 0.515 -2.361 590 HB2 LEU 72 1HB LEU 72 10.498 0.190 -4.042 591 HB3 LEU 72 2HB LEU 72 11.213 -1.383 -3.695 592 HG LEU 72 HG LEU 72 11.362 -0.676 -1.272 593 HD11 LEU 72 1HD1 LEU 72 10.038 1.112 -0.449 594 HD12 LEU 72 2HD1 LEU 72 9.293 1.426 -2.039 595 HD13 LEU 72 3HD1 LEU 72 10.999 1.804 -1.744 596 HD21 LEU 72 3HD2 LEU 72 9.355 -2.004 -2.539 597 HD22 LEU 72 1HD2 LEU 72 8.471 -0.688 -1.728 598 HD23 LEU 72 2HD2 LEU 72 9.532 -1.739 -0.796 599 H SER 73 H SER 73 13.698 -1.642 -2.028 600 HA SER 73 HA SER 73 15.927 -2.346 -3.605 601 HB2 SER 73 1HB SER 73 14.374 -4.328 -1.915 602 HB3 SER 73 2HB SER 73 16.118 -4.262 -2.209 603 HG SER 73 HG SER 73 15.458 -3.507 -0.114 604 H PHE 74 H PHE 74 16.291 -4.238 -4.960 605 HA PHE 74 HA PHE 74 14.381 -4.816 -6.929 606 HB2 PHE 74 1HB PHE 74 16.778 -5.291 -7.147 607 HB3 PHE 74 2HB PHE 74 16.661 -6.571 -5.944 608 HD1 PHE 74 HD1 PHE 74 15.496 -8.717 -6.474 609 HD2 PHE 74 HD2 PHE 74 15.952 -5.609 -9.436 610 HE1 PHE 74 HE1 PHE 74 14.844 -10.316 -8.257 611 HE2 PHE 74 HE2 PHE 74 15.339 -7.229 -11.218 612 HZ PHE 74 HZ PHE 74 14.783 -9.581 -10.631 613 H GLY 75 H GLY 75 14.947 -6.616 -3.895 614 HA2 GLY 75 1HA GLY 75 13.004 -8.691 -4.373 615 HA3 GLY 75 2HA GLY 75 13.696 -8.260 -2.809 616 H GLU 76 H GLU 76 12.793 -5.749 -2.272 617 HA GLU 76 HA GLU 76 10.081 -6.220 -1.493 618 HB2 GLU 76 1HB GLU 76 11.517 -3.539 -1.614 619 HB3 GLU 76 2HB GLU 76 10.078 -3.962 -0.668 620 HG2 GLU 76 1HG GLU 76 11.513 -5.793 0.430 621 HG3 GLU 76 2HG GLU 76 12.909 -4.990 -0.293 622 H ARG 77 H ARG 77 11.406 -4.327 -4.202 623 HA ARG 77 HA ARG 77 9.011 -3.213 -5.174 624 HB2 ARG 77 1HB ARG 77 11.386 -2.728 -5.911 625 HB3 ARG 77 2HB ARG 77 11.340 -4.217 -6.855 626 HG2 ARG 77 1HG ARG 77 10.947 -2.287 -8.261 627 HG3 ARG 77 2HG ARG 77 9.469 -3.251 -8.215 628 HD2 ARG 77 1HD ARG 77 8.369 -1.692 -6.778 629 HD3 ARG 77 2HD ARG 77 9.906 -0.940 -6.301 630 HE ARG 77 HE ARG 77 9.139 -0.724 -9.144 631 HH11 ARG 77 1HH1 ARG 77 9.062 0.914 -6.078 632 HH12 ARG 77 2HH1 ARG 77 9.158 2.501 -6.788 633 HH21 ARG 77 1HH2 ARG 77 9.134 1.307 -10.031 634 HH22 ARG 77 2HH2 ARG 77 8.996 2.706 -9.013 635 H LYS 78 H LYS 78 10.032 -6.557 -5.417 636 HA LYS 78 HA LYS 78 8.401 -7.424 -7.593 637 HB2 LYS 78 1HB LYS 78 9.075 -9.048 -5.110 638 HB3 LYS 78 2HB LYS 78 8.571 -9.674 -6.665 639 HG2 LYS 78 1HG LYS 78 10.964 -7.996 -6.949 640 HG3 LYS 78 2HG LYS 78 11.190 -9.217 -5.703 641 HD2 LYS 78 1HD LYS 78 11.973 -10.352 -7.487 642 HD3 LYS 78 2HD LYS 78 10.297 -10.885 -7.539 643 HE2 LYS 78 1HE LYS 78 10.533 -8.396 -9.027 644 HE3 LYS 78 2HE LYS 78 11.907 -9.405 -9.464 645 HZ1 LYS 78 3HZ LYS 78 10.455 -10.368 -10.876 646 HZ2 LYS 78 1HZ LYS 78 9.132 -9.759 -10.145 647 HZ3 LYS 78 2HZ LYS 78 9.811 -11.139 -9.593 648 H MET 79 H MET 79 7.603 -7.582 -4.106 649 HA MET 79 HA MET 79 4.799 -8.278 -4.653 650 HB2 MET 79 1HB MET 79 6.111 -9.053 -2.649 651 HB3 MET 79 2HB MET 79 6.049 -7.396 -2.037 652 HG2 MET 79 1HG MET 79 3.372 -8.030 -2.667 653 HG3 MET 79 2HG MET 79 4.025 -9.533 -2.041 654 HE1 MET 79 3HE MET 79 5.123 -9.745 0.416 655 HE2 MET 79 1HE MET 79 6.206 -8.365 0.114 656 HE3 MET 79 2HE MET 79 5.213 -8.398 1.576 657 H LEU 80 H LEU 80 6.567 -5.329 -3.618 658 HA LEU 80 HA LEU 80 4.355 -3.628 -3.194 659 HB2 LEU 80 1HB LEU 80 6.754 -3.063 -2.687 660 HB3 LEU 80 2HB LEU 80 7.035 -2.920 -4.421 661 HG LEU 80 HG LEU 80 4.931 -1.207 -4.188 662 HD11 LEU 80 1HD1 LEU 80 5.005 -1.725 -1.646 663 HD12 LEU 80 2HD1 LEU 80 4.732 -0.087 -2.247 664 HD13 LEU 80 3HD1 LEU 80 6.324 -0.545 -1.629 665 HD21 LEU 80 3HD2 LEU 80 6.786 -0.436 -5.288 666 HD22 LEU 80 1HD2 LEU 80 7.872 -0.707 -3.921 667 HD23 LEU 80 2HD2 LEU 80 6.708 0.625 -3.851 668 H ASP 81 H ASP 81 6.037 -4.319 -6.337 669 HA ASP 81 HA ASP 81 4.592 -2.606 -8.016 670 HB2 ASP 81 1HB ASP 81 5.873 -5.327 -8.388 671 HB3 ASP 81 2HB ASP 81 4.896 -4.669 -9.678 672 H THR 82 H THR 82 3.560 -5.796 -6.803 673 HA THR 82 HA THR 82 1.109 -5.816 -8.380 674 HB THR 82 HB THR 82 1.517 -7.439 -5.869 675 HG1 THR 82 HG1 THR 82 2.625 -7.984 -8.423 676 HG21 THR 82 3HG2 THR 82 -0.641 -7.585 -7.153 677 HG22 THR 82 1HG2 THR 82 0.256 -9.117 -7.196 678 HG23 THR 82 2HG2 THR 82 0.268 -8.039 -8.606 679 H ALA 83 H ALA 83 1.857 -5.176 -4.894 680 HA ALA 83 HA ALA 83 -0.817 -4.462 -4.167 681 HB1 ALA 83 3HB ALA 83 0.181 -3.466 -2.201 682 HB2 ALA 83 1HB ALA 83 0.967 -5.011 -2.553 683 HB3 ALA 83 2HB ALA 83 1.799 -3.493 -2.958 684 H ARG 84 H ARG 84 1.712 -2.536 -5.711 685 HA ARG 84 HA ARG 84 0.521 0.075 -5.593 686 HB2 ARG 84 1HB ARG 84 2.481 -1.269 -7.480 687 HB3 ARG 84 2HB ARG 84 1.901 0.353 -7.824 688 HG2 ARG 84 1HG ARG 84 3.058 -0.361 -5.131 689 HG3 ARG 84 2HG ARG 84 4.105 0.027 -6.484 690 HD2 ARG 84 1HD ARG 84 1.808 1.905 -5.859 691 HD3 ARG 84 2HD ARG 84 3.183 1.919 -4.792 692 HE ARG 84 HE ARG 84 3.061 3.082 -7.406 693 HH11 ARG 84 1HH1 ARG 84 5.334 1.464 -5.337 694 HH12 ARG 84 2HH1 ARG 84 6.674 2.418 -5.891 695 HH21 ARG 84 1HH2 ARG 84 4.847 4.183 -8.191 696 HH22 ARG 84 2HH2 ARG 84 6.415 3.828 -7.540 697 H SER 85 H SER 85 0.359 -2.374 -8.223 698 HA SER 85 HA SER 85 -1.412 -0.858 -9.855 699 HB2 SER 85 1HB SER 85 -1.589 -2.673 -11.253 700 HB3 SER 85 2HB SER 85 0.003 -2.892 -10.514 701 HG SER 85 HG SER 85 -1.451 -4.791 -10.636 702 H LEU 86 H LEU 86 -2.075 -2.796 -7.087 703 HA LEU 86 HA LEU 86 -5.003 -2.747 -7.432 704 HB2 LEU 86 1HB LEU 86 -3.152 -3.805 -5.249 705 HB3 LEU 86 2HB LEU 86 -4.904 -4.002 -5.220 706 HG LEU 86 HG LEU 86 -3.217 -5.073 -7.523 707 HD11 LEU 86 1HD1 LEU 86 -2.436 -6.009 -5.348 708 HD12 LEU 86 2HD1 LEU 86 -3.135 -7.205 -6.447 709 HD13 LEU 86 3HD1 LEU 86 -4.083 -6.622 -5.063 710 HD21 LEU 86 3HD2 LEU 86 -5.978 -5.732 -6.410 711 HD22 LEU 86 1HD2 LEU 86 -5.174 -6.623 -7.723 712 HD23 LEU 86 2HD2 LEU 86 -5.631 -4.924 -7.953 713 H LEU 87 H LEU 87 -2.570 -1.128 -5.380 714 HA LEU 87 HA LEU 87 -4.186 0.230 -3.555 715 HB2 LEU 87 1HB LEU 87 -1.737 0.306 -3.490 716 HB3 LEU 87 2HB LEU 87 -1.692 1.153 -5.041 717 HG LEU 87 HG LEU 87 -3.057 3.031 -3.901 718 HD11 LEU 87 1HD1 LEU 87 -2.009 1.535 -1.479 719 HD12 LEU 87 2HD1 LEU 87 -3.704 1.874 -1.846 720 HD13 LEU 87 3HD1 LEU 87 -2.601 3.206 -1.438 721 HD21 LEU 87 3HD2 LEU 87 -0.534 2.945 -4.521 722 HD22 LEU 87 1HD2 LEU 87 -0.359 2.863 -2.753 723 HD23 LEU 87 2HD2 LEU 87 -1.208 4.205 -3.486 724 H ILE 88 H ILE 88 -3.100 1.484 -6.740 725 HA ILE 88 HA ILE 88 -4.966 3.666 -6.572 726 HB ILE 88 HB ILE 88 -4.252 4.470 -8.560 727 HG12 ILE 88 1HG1 ILE 88 -4.717 2.562 -10.049 728 HG13 ILE 88 2HG1 ILE 88 -3.149 3.301 -10.365 729 HG21 ILE 88 1HG2 ILE 88 -2.426 4.348 -6.879 730 HG22 ILE 88 2HG2 ILE 88 -1.797 2.919 -7.678 731 HG23 ILE 88 3HG2 ILE 88 -1.894 4.465 -8.560 732 HD11 ILE 88 3HD1 ILE 88 -1.988 1.461 -9.358 733 HD12 ILE 88 1HD1 ILE 88 -3.519 0.770 -8.758 734 HD13 ILE 88 2HD1 ILE 88 -3.177 0.820 -10.497 735 H LYS 89 H LYS 89 -5.444 0.436 -7.499 736 HA LYS 89 HA LYS 89 -7.506 0.690 -9.497 737 HB2 LYS 89 1HB LYS 89 -6.203 -1.417 -9.014 738 HB3 LYS 89 2HB LYS 89 -7.095 -1.590 -7.513 739 HG2 LYS 89 1HG LYS 89 -8.130 -3.063 -8.959 740 HG3 LYS 89 2HG LYS 89 -9.233 -1.705 -8.832 741 HD2 LYS 89 1HD LYS 89 -9.188 -2.279 -11.119 742 HD3 LYS 89 2HD LYS 89 -8.159 -0.848 -11.037 743 HE2 LYS 89 1HE LYS 89 -6.571 -3.244 -10.502 744 HE3 LYS 89 2HE LYS 89 -7.549 -3.524 -11.946 745 HZ1 LYS 89 3HZ LYS 89 -5.568 -1.356 -11.528 746 HZ2 LYS 89 1HZ LYS 89 -6.622 -1.353 -12.790 747 HZ3 LYS 89 2HZ LYS 89 -5.520 -2.544 -12.644 748 H GLU 90 H GLU 90 -7.783 0.016 -6.038 749 HA GLU 90 HA GLU 90 -10.686 0.340 -5.930 750 HB2 GLU 90 1HB GLU 90 -10.330 0.228 -3.483 751 HB3 GLU 90 2HB GLU 90 -9.638 -1.106 -4.389 752 HG2 GLU 90 1HG GLU 90 -7.525 0.755 -4.215 753 HG3 GLU 90 2HG GLU 90 -8.338 0.961 -2.699 754 H LEU 91 H LEU 91 -7.927 2.402 -4.968 755 HA LEU 91 HA LEU 91 -9.525 4.613 -4.134 756 HB2 LEU 91 1HB LEU 91 -6.607 4.436 -5.007 757 HB3 LEU 91 2HB LEU 91 -7.340 5.827 -4.177 758 HG LEU 91 HG LEU 91 -7.138 3.022 -3.007 759 HD11 LEU 91 1HD1 LEU 91 -5.364 5.442 -2.661 760 HD12 LEU 91 2HD1 LEU 91 -4.934 3.775 -3.040 761 HD13 LEU 91 3HD1 LEU 91 -5.487 4.172 -1.421 762 HD21 LEU 91 3HD2 LEU 91 -7.502 5.197 -1.122 763 HD22 LEU 91 1HD2 LEU 91 -8.445 3.699 -1.405 764 HD23 LEU 91 2HD2 LEU 91 -8.800 5.170 -2.286 765 H SER 92 H SER 92 -8.613 3.642 -7.285 766 HA SER 92 HA SER 92 -8.616 5.769 -8.933 767 HB2 SER 92 1HB SER 92 -8.482 3.518 -9.804 768 HB3 SER 92 2HB SER 92 -10.136 3.176 -9.269 769 HG SER 92 HG SER 92 -10.384 3.610 -11.348 770 H LEU 93 H LEU 93 -11.467 4.568 -7.308 771 HA LEU 93 HA LEU 93 -13.481 5.989 -8.635 772 HB2 LEU 93 1HB LEU 93 -13.525 4.096 -6.819 773 HB3 LEU 93 2HB LEU 93 -13.530 5.404 -5.657 774 HG LEU 93 HG LEU 93 -15.758 4.592 -6.057 775 HD11 LEU 93 1HD1 LEU 93 -16.954 6.592 -6.471 776 HD12 LEU 93 2HD1 LEU 93 -15.661 7.268 -7.473 777 HD13 LEU 93 3HD1 LEU 93 -15.424 7.078 -5.719 778 HD21 LEU 93 3HD2 LEU 93 -15.525 5.373 -8.987 779 HD22 LEU 93 1HD2 LEU 93 -16.885 4.585 -8.171 780 HD23 LEU 93 2HD2 LEU 93 -15.352 3.718 -8.368 781 H ALA 94 H ALA 94 -12.003 6.979 -5.532 782 HA ALA 94 HA ALA 94 -13.103 9.674 -5.692 783 HB1 ALA 94 3HB ALA 94 -12.536 8.382 -3.571 784 HB2 ALA 94 1HB ALA 94 -10.833 8.753 -3.938 785 HB3 ALA 94 2HB ALA 94 -11.966 10.065 -3.629 786 H LYS 95 H LYS 95 -10.096 8.201 -6.745 787 HA LYS 95 HA LYS 95 -8.346 10.365 -6.967 788 HB2 LYS 95 1HB LYS 95 -7.087 8.836 -7.881 789 HB3 LYS 95 2HB LYS 95 -8.462 7.739 -7.968 790 HG2 LYS 95 1HG LYS 95 -8.957 8.622 -10.254 791 HG3 LYS 95 2HG LYS 95 -7.488 9.605 -10.141 792 HD2 LYS 95 1HD LYS 95 -6.225 7.880 -10.828 793 HD3 LYS 95 2HD LYS 95 -6.843 6.827 -9.566 794 HE2 LYS 95 1HE LYS 95 -8.881 6.406 -10.948 795 HE3 LYS 95 2HE LYS 95 -8.195 7.369 -12.246 796 HZ1 LYS 95 3HZ LYS 95 -6.754 5.014 -11.160 797 HZ2 LYS 95 1HZ LYS 95 -6.528 5.767 -12.607 798 HZ3 LYS 95 2HZ LYS 95 -7.868 4.870 -12.340 799 H ASP 96 H ASP 96 -10.952 9.525 -9.162 800 HA ASP 96 HA ASP 96 -11.868 10.514 -11.008 801 HB2 ASP 96 1HB ASP 96 -12.666 11.703 -8.878 802 HB3 ASP 96 2HB ASP 96 -11.681 13.062 -9.394 803 H CYS 97 H CYS 97 -9.052 10.304 -11.323 804 HA CYS 97 HA CYS 97 -8.316 12.269 -13.343 805 HB2 CYS 97 1HB CYS 97 -7.895 13.079 -10.733 806 HB3 CYS 97 2HB CYS 97 -6.382 12.235 -11.053 807 HG CYS 97 HG CYS 97 -7.776 14.919 -12.239 808 H SER 98 H SER 98 -5.578 11.904 -13.356 809 HA SER 98 HA SER 98 -5.150 9.256 -14.463 810 HB2 SER 98 1HB SER 98 -3.430 11.639 -13.741 811 HB3 SER 98 2HB SER 98 -2.633 10.096 -14.066 812 HG SER 98 HG SER 98 -3.125 10.231 -16.114 813 H GLU 99 H GLU 99 -3.682 7.588 -13.646 814 HA GLU 99 HA GLU 99 -4.032 6.794 -10.933 815 HB2 GLU 99 1HB GLU 99 -1.879 6.010 -12.928 816 HB3 GLU 99 2HB GLU 99 -2.078 5.268 -11.323 817 HG2 GLU 99 1HG GLU 99 -4.409 4.650 -11.905 818 HG3 GLU 99 2HG GLU 99 -4.201 5.320 -13.523 819 H ASP 100 H ASP 100 -1.619 8.907 -12.306 820 HA ASP 100 HA ASP 100 0.317 9.093 -10.304 821 HB2 ASP 100 1HB ASP 100 -0.850 11.081 -12.256 822 HB3 ASP 100 2HB ASP 100 0.233 11.648 -10.997 823 H GLU 101 H GLU 101 -3.088 10.206 -10.050 824 HA GLU 101 HA GLU 101 -2.759 12.053 -7.903 825 HB2 GLU 101 1HB GLU 101 -4.876 11.816 -9.093 826 HB3 GLU 101 2HB GLU 101 -5.005 10.131 -8.629 827 HG2 GLU 101 1HG GLU 101 -5.949 10.582 -6.704 828 HG3 GLU 101 2HG GLU 101 -4.672 11.659 -6.190 829 H ILE 102 H ILE 102 -3.466 8.522 -7.767 830 HA ILE 102 HA ILE 102 -2.934 8.454 -4.880 831 HB ILE 102 HB ILE 102 -3.572 6.287 -6.847 832 HG12 ILE 102 1HG1 ILE 102 -5.539 6.976 -4.728 833 HG13 ILE 102 2HG1 ILE 102 -5.269 8.317 -5.814 834 HG21 ILE 102 1HG2 ILE 102 -4.112 4.924 -4.839 835 HG22 ILE 102 2HG2 ILE 102 -2.400 5.332 -4.914 836 HG23 ILE 102 3HG2 ILE 102 -3.450 6.210 -3.797 837 HD11 ILE 102 3HD1 ILE 102 -5.695 6.969 -7.758 838 HD12 ILE 102 1HD1 ILE 102 -5.906 5.509 -6.789 839 HD13 ILE 102 2HD1 ILE 102 -7.048 6.837 -6.599 840 H GLU 103 H GLU 103 -1.250 7.331 -7.840 841 HA GLU 103 HA GLU 103 0.840 5.884 -6.577 842 HB2 GLU 103 1HB GLU 103 0.376 7.118 -9.237 843 HB3 GLU 103 2HB GLU 103 2.070 6.937 -8.812 844 HG2 GLU 103 1HG GLU 103 1.992 4.632 -8.663 845 HG3 GLU 103 2HG GLU 103 0.270 4.581 -8.361 846 H SER 104 H SER 104 0.727 9.397 -7.515 847 HA SER 104 HA SER 104 3.295 9.958 -6.255 848 HB2 SER 104 1HB SER 104 1.140 11.910 -7.149 849 HB3 SER 104 2HB SER 104 2.777 12.309 -6.680 850 HG SER 104 HG SER 104 3.527 10.969 -8.451 851 H ASP 105 H ASP 105 -0.135 10.162 -5.145 852 HA ASP 105 HA ASP 105 0.312 11.706 -2.826 853 HB2 ASP 105 1HB ASP 105 -1.651 9.522 -3.498 854 HB3 ASP 105 2HB ASP 105 -1.532 10.085 -1.852 855 H LEU 106 H LEU 106 1.412 8.443 -3.419 856 HA LEU 106 HA LEU 106 1.882 7.591 -0.752 857 HB2 LEU 106 1HB LEU 106 3.604 7.098 -3.226 858 HB3 LEU 106 2HB LEU 106 3.638 6.143 -1.756 859 HG LEU 106 HG LEU 106 1.303 6.404 -3.674 860 HD11 LEU 106 1HD1 LEU 106 3.226 5.057 -4.496 861 HD12 LEU 106 2HD1 LEU 106 1.725 4.136 -4.322 862 HD13 LEU 106 3HD1 LEU 106 3.010 3.983 -3.103 863 HD21 LEU 106 3HD2 LEU 106 1.081 4.192 -1.790 864 HD22 LEU 106 1HD2 LEU 106 -0.079 5.485 -2.183 865 HD23 LEU 106 2HD2 LEU 106 1.121 5.710 -0.932 866 H LYS 107 H LYS 107 3.727 9.855 -2.727 867 HA LYS 107 HA LYS 107 5.978 10.087 -0.941 868 HB2 LYS 107 1HB LYS 107 6.755 11.745 -2.321 869 HB3 LYS 107 2HB LYS 107 5.673 10.901 -3.421 870 HG2 LYS 107 1HG LYS 107 3.897 12.669 -2.806 871 HG3 LYS 107 2HG LYS 107 5.142 13.505 -1.901 872 HD2 LYS 107 1HD LYS 107 4.769 14.518 -4.065 873 HD3 LYS 107 2HD LYS 107 6.433 13.937 -3.904 874 HE2 LYS 107 1HE LYS 107 6.052 12.084 -5.346 875 HE3 LYS 107 2HE LYS 107 4.294 12.245 -5.231 876 HZ1 LYS 107 3HZ LYS 107 6.057 14.256 -6.534 877 HZ2 LYS 107 1HZ LYS 107 4.427 14.295 -6.506 878 HZ3 LYS 107 2HZ LYS 107 5.204 13.132 -7.349 879 H LYS 108 H LYS 108 2.762 11.330 -0.751 880 HA LYS 108 HA LYS 108 3.369 13.297 1.407 881 HB2 LYS 108 1HB LYS 108 0.654 12.667 0.171 882 HB3 LYS 108 2HB LYS 108 1.121 14.056 1.158 883 HG2 LYS 108 1HG LYS 108 2.812 14.628 -0.695 884 HG3 LYS 108 2HG LYS 108 1.983 13.430 -1.694 885 HD2 LYS 108 1HD LYS 108 0.504 15.772 -0.415 886 HD3 LYS 108 2HD LYS 108 1.333 15.877 -1.979 887 HE2 LYS 108 1HE LYS 108 0.023 13.813 -2.688 888 HE3 LYS 108 2HE LYS 108 -0.991 14.037 -1.262 889 HZ1 LYS 108 3HZ LYS 108 -0.586 16.204 -3.248 890 HZ2 LYS 108 1HZ LYS 108 -1.800 16.060 -2.156 891 HZ3 LYS 108 2HZ LYS 108 -1.731 15.052 -3.443 892 H ILE 109 H ILE 109 2.285 10.066 1.034 893 HA ILE 109 HA ILE 109 1.118 9.865 3.750 894 HB ILE 109 HB ILE 109 1.542 7.767 1.619 895 HG12 ILE 109 1HG1 ILE 109 -1.125 9.003 2.491 896 HG13 ILE 109 2HG1 ILE 109 -0.229 9.669 1.148 897 HG21 ILE 109 1HG2 ILE 109 0.173 6.326 2.959 898 HG22 ILE 109 2HG2 ILE 109 1.409 6.928 4.028 899 HG23 ILE 109 3HG2 ILE 109 -0.209 7.627 4.111 900 HD11 ILE 109 3HD1 ILE 109 -0.437 7.656 -0.155 901 HD12 ILE 109 1HD1 ILE 109 -1.133 6.763 1.211 902 HD13 ILE 109 2HD1 ILE 109 -2.036 8.084 0.473 903 H PHE 110 H PHE 110 3.631 7.964 1.987 904 HA PHE 110 HA PHE 110 4.796 7.078 4.507 905 HB2 PHE 110 1HB PHE 110 5.996 6.593 1.808 906 HB3 PHE 110 2HB PHE 110 6.050 5.576 3.226 907 HD1 PHE 110 HD2 PHE 110 3.187 5.298 3.985 908 HD2 PHE 110 HD1 PHE 110 5.038 5.336 0.089 909 HE1 PHE 110 HE2 PHE 110 1.272 4.063 3.019 910 HE2 PHE 110 HE1 PHE 110 3.193 3.985 -0.801 911 HZ PHE 110 HZ PHE 110 1.242 3.433 0.642 912 H ASN 111 H ASN 111 5.267 9.750 2.522 913 HA ASN 111 HA ASN 111 6.698 11.489 2.388 914 HB2 ASN 111 1HB ASN 111 6.178 11.445 4.832 915 HB3 ASN 111 2HB ASN 111 7.760 10.674 5.055 916 HD21 ASN 111 2HD2 ASN 111 8.929 12.324 6.096 917 HD22 ASN 111 1HD2 ASN 111 9.087 13.918 5.380 918 H LEU 112 H LEU 112 7.589 10.260 0.588 919 HA LEU 112 HA LEU 112 10.345 9.191 0.971 920 HB2 LEU 112 1HB LEU 112 8.646 9.212 -1.549 921 HB3 LEU 112 2HB LEU 112 10.163 8.374 -1.290 922 HG LEU 112 HG LEU 112 8.754 6.634 -1.099 923 HD11 LEU 112 1HD1 LEU 112 8.566 7.551 1.793 924 HD12 LEU 112 2HD1 LEU 112 9.962 6.731 1.066 925 HD13 LEU 112 3HD1 LEU 112 8.402 5.911 1.186 926 HD21 LEU 112 3HD2 LEU 112 6.735 7.991 -1.461 927 HD22 LEU 112 1HD2 LEU 112 6.639 8.269 0.304 928 HD23 LEU 112 2HD2 LEU 112 6.529 6.639 -0.381 929 H ALA 113 H ALA 113 8.779 11.997 -0.322 930 HA ALA 113 HA ALA 113 10.724 13.018 -2.131 931 HB1 ALA 113 3HB ALA 113 8.438 14.146 -0.516 932 HB2 ALA 113 1HB ALA 113 9.590 15.263 -1.268 933 HB3 ALA 113 2HB ALA 113 8.698 14.110 -2.276 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -22.485 -19.134 9.185 2 H2 GLY 1 2H GLY 1 -23.750 -19.119 10.225 3 H3 GLY 1 3H GLY 1 -22.685 -17.878 10.221 4 HA2 GLY 1 1HA GLY 1 -21.741 -18.912 11.966 5 HA3 GLY 1 2HA GLY 1 -22.519 -20.434 11.511 6 H SER 2 H SER 2 -19.973 -18.224 10.201 7 HA SER 2 HA SER 2 -18.133 -20.507 9.814 8 HB2 SER 2 1HB SER 2 -17.654 -19.725 7.474 9 HB3 SER 2 2HB SER 2 -19.252 -20.436 7.697 10 HG SER 2 HG SER 2 -18.606 -17.667 7.467 11 H HIS 3 H HIS 3 -15.947 -19.673 9.089 12 HA HIS 3 HA HIS 3 -15.257 -17.094 10.471 13 HB2 HIS 3 1HB HIS 3 -13.841 -19.751 10.242 14 HB3 HIS 3 2HB HIS 3 -12.869 -18.295 10.298 15 HD1 HIS 3 HD1 HIS 3 -16.059 -18.884 12.450 16 HD2 HIS 3 HD2 HIS 3 -11.874 -18.331 12.669 17 HE1 HIS 3 HE1 HIS 3 -15.485 -18.637 14.951 18 HE2 HIS 3 HE2 HIS 3 -12.935 -18.302 15.078 19 H MET 4 H MET 4 -13.360 -16.001 9.634 20 HA MET 4 HA MET 4 -12.894 -16.078 6.725 21 HB2 MET 4 1HB MET 4 -13.497 -13.706 6.426 22 HB3 MET 4 2HB MET 4 -14.873 -14.688 6.910 23 HG2 MET 4 1HG MET 4 -14.404 -13.878 9.328 24 HG3 MET 4 2HG MET 4 -13.300 -12.717 8.600 25 HE1 MET 4 3HE MET 4 -16.897 -13.948 9.159 26 HE2 MET 4 1HE MET 4 -17.923 -12.773 8.311 27 HE3 MET 4 2HE MET 4 -17.000 -13.969 7.383 28 H GLY 5 H GLY 5 -11.144 -14.675 6.062 29 HA2 GLY 5 1HA GLY 5 -9.066 -14.219 8.190 30 HA3 GLY 5 2HA GLY 5 -8.737 -14.857 6.584 31 H SER 6 H SER 6 -11.048 -12.377 6.523 32 HA SER 6 HA SER 6 -9.158 -10.154 5.962 33 HB2 SER 6 1HB SER 6 -10.577 -9.671 3.900 34 HB3 SER 6 2HB SER 6 -9.506 -11.075 3.800 35 HG SER 6 HG SER 6 -11.473 -11.736 3.042 36 H VAL 7 H VAL 7 -10.413 -8.101 5.620 37 HA VAL 7 HA VAL 7 -11.971 -7.414 7.877 38 HB VAL 7 HB VAL 7 -10.633 -5.840 6.601 39 HG11 VAL 7 1HG1 VAL 7 -11.133 -6.659 4.325 40 HG12 VAL 7 2HG1 VAL 7 -12.763 -5.983 4.437 41 HG13 VAL 7 3HG1 VAL 7 -11.352 -4.914 4.464 42 HG21 VAL 7 3HG2 VAL 7 -12.068 -3.903 6.625 43 HG22 VAL 7 1HG2 VAL 7 -13.528 -4.902 6.563 44 HG23 VAL 7 2HG2 VAL 7 -12.482 -4.937 8.002 45 H GLY 8 H GLY 8 -13.085 -8.663 4.814 46 HA2 GLY 8 1HA GLY 8 -15.254 -9.930 5.118 47 HA3 GLY 8 2HA GLY 8 -15.967 -8.403 5.628 48 H LEU 9 H LEU 9 -14.566 -6.789 3.652 49 HA LEU 9 HA LEU 9 -16.188 -7.344 1.239 50 HB2 LEU 9 1HB LEU 9 -15.576 -5.071 0.564 51 HB3 LEU 9 2HB LEU 9 -16.393 -5.128 2.095 52 HG LEU 9 HG LEU 9 -13.427 -5.159 2.369 53 HD11 LEU 9 1HD1 LEU 9 -14.861 -2.769 1.151 54 HD12 LEU 9 2HD1 LEU 9 -13.515 -3.695 0.442 55 HD13 LEU 9 3HD1 LEU 9 -13.252 -2.713 1.897 56 HD21 LEU 9 3HD2 LEU 9 -15.051 -4.829 4.261 57 HD22 LEU 9 1HD2 LEU 9 -15.523 -3.286 3.521 58 HD23 LEU 9 2HD2 LEU 9 -13.857 -3.533 4.087 59 H ARG 10 H ARG 10 -14.754 -6.270 -0.743 60 HA ARG 10 HA ARG 10 -12.313 -7.998 -1.055 61 HB2 ARG 10 1HB ARG 10 -14.248 -8.969 -2.248 62 HB3 ARG 10 2HB ARG 10 -14.463 -7.480 -3.150 63 HG2 ARG 10 1HG ARG 10 -13.349 -9.053 -4.558 64 HG3 ARG 10 2HG ARG 10 -12.180 -7.803 -4.181 65 HD2 ARG 10 1HD ARG 10 -10.782 -9.232 -3.112 66 HD3 ARG 10 2HD ARG 10 -12.078 -10.043 -2.242 67 HE ARG 10 HE ARG 10 -10.818 -10.918 -4.697 68 HH11 ARG 10 1HH1 ARG 10 -13.865 -11.133 -2.991 69 HH12 ARG 10 2HH1 ARG 10 -14.342 -12.585 -3.824 70 HH21 ARG 10 1HH2 ARG 10 -11.470 -12.788 -5.711 71 HH22 ARG 10 2HH2 ARG 10 -13.007 -13.497 -5.312 72 H GLU 11 H GLU 11 -13.645 -5.647 -3.282 73 HA GLU 11 HA GLU 11 -11.400 -3.730 -2.782 74 HB2 GLU 11 1HB GLU 11 -11.734 -5.486 -5.158 75 HB3 GLU 11 2HB GLU 11 -11.278 -3.825 -5.492 76 HG2 GLU 11 1HG GLU 11 -9.197 -4.033 -4.667 77 HG3 GLU 11 2HG GLU 11 -9.653 -5.069 -3.341 78 H ILE 12 H ILE 12 -14.489 -4.407 -4.371 79 HA ILE 12 HA ILE 12 -14.998 -1.814 -5.363 80 HB ILE 12 HB ILE 12 -16.192 -3.698 -6.183 81 HG12 ILE 12 1HG1 ILE 12 -18.509 -2.871 -6.150 82 HG13 ILE 12 2HG1 ILE 12 -18.155 -1.834 -4.772 83 HG21 ILE 12 1HG2 ILE 12 -17.909 -3.990 -3.718 84 HG22 ILE 12 2HG2 ILE 12 -17.615 -5.128 -5.049 85 HG23 ILE 12 3HG2 ILE 12 -16.378 -4.866 -3.812 86 HD11 ILE 12 3HD1 ILE 12 -18.198 -0.589 -6.908 87 HD12 ILE 12 1HD1 ILE 12 -16.607 -0.484 -6.150 88 HD13 ILE 12 2HD1 ILE 12 -16.862 -1.586 -7.526 89 H ILE 13 H ILE 13 -15.020 -0.041 -4.286 90 HA ILE 13 HA ILE 13 -16.634 0.335 -1.841 91 HB ILE 13 HB ILE 13 -14.792 1.585 -0.787 92 HG12 ILE 13 1HG1 ILE 13 -12.403 0.683 -1.550 93 HG13 ILE 13 2HG1 ILE 13 -13.138 0.621 -3.135 94 HG21 ILE 13 1HG2 ILE 13 -13.996 -1.293 -1.172 95 HG22 ILE 13 2HG2 ILE 13 -13.758 -0.243 0.241 96 HG23 ILE 13 3HG2 ILE 13 -15.386 -0.758 -0.196 97 HD11 ILE 13 3HD1 ILE 13 -11.876 2.711 -2.656 98 HD12 ILE 13 1HD1 ILE 13 -13.576 3.041 -3.056 99 HD13 ILE 13 2HD1 ILE 13 -13.001 3.106 -1.372 100 H SER 14 H SER 14 -16.520 2.725 -1.191 101 HA SER 14 HA SER 14 -16.760 4.519 -3.564 102 HB2 SER 14 1HB SER 14 -18.527 5.669 -2.467 103 HB3 SER 14 2HB SER 14 -18.921 3.945 -2.362 104 HG SER 14 HG SER 14 -19.194 5.056 -0.353 105 H GLU 15 H GLU 15 -16.639 6.896 -2.697 106 HA GLU 15 HA GLU 15 -14.042 7.565 -1.916 107 HB2 GLU 15 1HB GLU 15 -15.873 8.989 -2.971 108 HB3 GLU 15 2HB GLU 15 -16.574 9.150 -1.366 109 HG2 GLU 15 1HG GLU 15 -13.948 9.981 -0.924 110 HG3 GLU 15 2HG GLU 15 -14.195 10.453 -2.593 111 H GLU 16 H GLU 16 -16.662 6.635 0.258 112 HA GLU 16 HA GLU 16 -15.681 7.747 2.714 113 HB2 GLU 16 1HB GLU 16 -17.308 5.235 2.147 114 HB3 GLU 16 2HB GLU 16 -16.849 5.751 3.771 115 HG2 GLU 16 1HG GLU 16 -17.923 8.012 3.248 116 HG3 GLU 16 2HG GLU 16 -18.609 7.254 1.807 117 H ASP 17 H ASP 17 -15.062 4.456 1.384 118 HA ASP 17 HA ASP 17 -13.126 3.683 3.393 119 HB2 ASP 17 1HB ASP 17 -13.911 1.886 2.173 120 HB3 ASP 17 2HB ASP 17 -13.880 2.781 0.649 121 H VAL 18 H VAL 18 -12.823 5.307 0.206 122 HA VAL 18 HA VAL 18 -10.052 5.316 0.082 123 HB VAL 18 HB VAL 18 -11.769 7.562 -1.006 124 HG11 VAL 18 1HG1 VAL 18 -8.872 6.924 -1.181 125 HG12 VAL 18 2HG1 VAL 18 -9.641 7.226 -2.725 126 HG13 VAL 18 3HG1 VAL 18 -9.744 8.439 -1.437 127 HG21 VAL 18 3HG2 VAL 18 -12.658 5.584 -1.937 128 HG22 VAL 18 1HG2 VAL 18 -11.522 6.141 -3.156 129 HG23 VAL 18 2HG2 VAL 18 -11.084 4.811 -2.069 130 H LYS 19 H LYS 19 -12.122 7.477 2.001 131 HA LYS 19 HA LYS 19 -9.906 9.176 2.867 132 HB2 LYS 19 1HB LYS 19 -12.509 8.793 4.397 133 HB3 LYS 19 2HB LYS 19 -11.437 10.187 4.358 134 HG2 LYS 19 1HG LYS 19 -12.216 9.946 1.663 135 HG3 LYS 19 2HG LYS 19 -13.637 9.375 2.556 136 HD2 LYS 19 1HD LYS 19 -13.991 11.673 2.243 137 HD3 LYS 19 2HD LYS 19 -13.486 11.505 3.927 138 HE2 LYS 19 1HE LYS 19 -11.971 13.141 3.424 139 HE3 LYS 19 2HE LYS 19 -11.039 11.807 2.727 140 HZ1 LYS 19 3HZ LYS 19 -12.092 12.346 0.562 141 HZ2 LYS 19 1HZ LYS 19 -11.260 13.627 1.143 142 HZ3 LYS 19 2HZ LYS 19 -12.887 13.604 1.238 143 H GLN 20 H GLN 20 -11.615 6.403 4.359 144 HA GLN 20 HA GLN 20 -10.161 6.402 6.836 145 HB2 GLN 20 1HB GLN 20 -12.269 5.303 6.707 146 HB3 GLN 20 2HB GLN 20 -11.739 4.227 5.407 147 HG2 GLN 20 1HG GLN 20 -10.193 3.073 6.867 148 HG3 GLN 20 2HG GLN 20 -10.417 4.265 8.158 149 HE21 GLN 20 2HE2 GLN 20 -10.733 1.350 8.361 150 HE22 GLN 20 1HE2 GLN 20 -12.407 1.129 8.858 151 H VAL 21 H VAL 21 -9.658 4.430 3.872 152 HA VAL 21 HA VAL 21 -7.405 2.993 4.799 153 HB VAL 21 HB VAL 21 -8.762 2.399 2.860 154 HG11 VAL 21 1HG1 VAL 21 -8.633 4.866 1.925 155 HG12 VAL 21 2HG1 VAL 21 -7.207 4.259 1.087 156 HG13 VAL 21 3HG1 VAL 21 -8.807 3.468 0.890 157 HG21 VAL 21 3HG2 VAL 21 -6.483 1.429 3.176 158 HG22 VAL 21 1HG2 VAL 21 -7.002 1.503 1.479 159 HG23 VAL 21 2HG2 VAL 21 -5.843 2.689 2.106 160 H TYR 22 H TYR 22 -7.450 6.154 3.078 161 HA TYR 22 HA TYR 22 -4.630 6.530 3.000 162 HB2 TYR 22 1HB TYR 22 -7.039 8.300 2.876 163 HB3 TYR 22 2HB TYR 22 -5.547 9.069 3.372 164 HD1 TYR 22 HD1 TYR 22 -6.884 6.804 0.706 165 HD2 TYR 22 HD2 TYR 22 -3.988 9.804 1.778 166 HE1 TYR 22 HE1 TYR 22 -6.155 6.958 -1.675 167 HE2 TYR 22 HE2 TYR 22 -3.197 9.879 -0.575 168 HH TYR 22 HH TYR 22 -3.356 8.937 -2.643 169 H SER 23 H SER 23 -6.966 7.249 5.602 170 HA SER 23 HA SER 23 -5.158 8.421 7.457 171 HB2 SER 23 1HB SER 23 -7.715 8.358 7.499 172 HB3 SER 23 2HB SER 23 -7.555 6.759 8.255 173 HG SER 23 HG SER 23 -7.687 8.468 9.794 174 H ILE 24 H ILE 24 -5.797 4.988 6.764 175 HA ILE 24 HA ILE 24 -4.410 3.887 9.043 176 HB ILE 24 HB ILE 24 -4.721 2.583 6.307 177 HG12 ILE 24 1HG1 ILE 24 -6.555 2.264 8.729 178 HG13 ILE 24 2HG1 ILE 24 -6.922 3.280 7.348 179 HG21 ILE 24 1HG2 ILE 24 -4.506 0.478 7.661 180 HG22 ILE 24 2HG2 ILE 24 -3.053 1.462 7.683 181 HG23 ILE 24 3HG2 ILE 24 -4.143 1.462 9.087 182 HD11 ILE 24 3HD1 ILE 24 -8.096 1.328 6.894 183 HD12 ILE 24 1HD1 ILE 24 -6.652 1.199 5.869 184 HD13 ILE 24 2HD1 ILE 24 -6.753 0.271 7.378 185 H LEU 25 H LEU 25 -3.288 4.512 5.681 186 HA LEU 25 HA LEU 25 -0.541 3.863 6.419 187 HB2 LEU 25 1HB LEU 25 -0.118 4.865 4.053 188 HB3 LEU 25 2HB LEU 25 -0.664 3.242 4.297 189 HG LEU 25 HG LEU 25 -2.824 5.274 3.894 190 HD11 LEU 25 1HD1 LEU 25 -2.397 4.738 1.297 191 HD12 LEU 25 2HD1 LEU 25 -0.709 4.751 1.836 192 HD13 LEU 25 3HD1 LEU 25 -1.776 6.155 2.116 193 HD21 LEU 25 3HD2 LEU 25 -3.190 2.801 4.171 194 HD22 LEU 25 1HD2 LEU 25 -2.196 2.555 2.717 195 HD23 LEU 25 2HD2 LEU 25 -3.753 3.431 2.615 196 H LYS 26 H LYS 26 -2.332 6.791 6.515 197 HA LYS 26 HA LYS 26 -0.401 8.751 6.111 198 HB2 LYS 26 1HB LYS 26 -3.031 8.638 7.164 199 HB3 LYS 26 2HB LYS 26 -2.098 9.363 8.443 200 HG2 LYS 26 1HG LYS 26 -2.941 11.136 7.111 201 HG3 LYS 26 2HG LYS 26 -1.213 11.032 6.737 202 HD2 LYS 26 1HD LYS 26 -1.863 9.624 4.692 203 HD3 LYS 26 2HD LYS 26 -3.547 9.988 5.051 204 HE2 LYS 26 1HE LYS 26 -1.377 12.071 4.496 205 HE3 LYS 26 2HE LYS 26 -2.481 11.419 3.284 206 HZ1 LYS 26 3HZ LYS 26 -3.479 13.397 3.999 207 HZ2 LYS 26 1HZ LYS 26 -3.173 13.149 5.581 208 HZ3 LYS 26 2HZ LYS 26 -4.325 12.267 4.818 209 H GLU 27 H GLU 27 -0.523 6.624 8.826 210 HA GLU 27 HA GLU 27 1.258 8.179 10.538 211 HB2 GLU 27 1HB GLU 27 -0.494 6.618 11.361 212 HB3 GLU 27 2HB GLU 27 0.429 5.251 10.728 213 HG2 GLU 27 1HG GLU 27 2.117 5.479 12.345 214 HG3 GLU 27 2HG GLU 27 1.829 7.202 12.557 215 H LYS 28 H LYS 28 3.403 8.005 10.826 216 HA LYS 28 HA LYS 28 4.988 6.417 8.867 217 HB2 LYS 28 1HB LYS 28 5.641 8.828 10.594 218 HB3 LYS 28 2HB LYS 28 6.822 8.012 9.578 219 HG2 LYS 28 1HG LYS 28 4.218 9.211 8.519 220 HG3 LYS 28 2HG LYS 28 5.740 10.086 8.582 221 HD2 LYS 28 1HD LYS 28 5.239 7.549 6.939 222 HD3 LYS 28 2HD LYS 28 5.261 9.195 6.352 223 HE2 LYS 28 1HE LYS 28 7.424 9.040 5.970 224 HE3 LYS 28 2HE LYS 28 7.690 9.080 7.710 225 HZ1 LYS 28 3HZ LYS 28 7.333 6.627 6.074 226 HZ2 LYS 28 1HZ LYS 28 7.693 6.650 7.691 227 HZ3 LYS 28 2HZ LYS 28 8.766 7.193 6.581 228 H ASP 29 H ASP 29 4.244 6.292 12.176 229 HA ASP 29 HA ASP 29 6.698 5.015 13.087 230 HB2 ASP 29 1HB ASP 29 5.066 6.460 14.430 231 HB3 ASP 29 2HB ASP 29 3.989 5.064 14.461 232 H ILE 30 H ILE 30 4.301 3.818 11.143 233 HA ILE 30 HA ILE 30 3.769 1.231 12.226 234 HB ILE 30 HB ILE 30 2.815 0.658 10.079 235 HG12 ILE 30 1HG1 ILE 30 2.770 2.659 8.355 236 HG13 ILE 30 2HG1 ILE 30 4.284 3.109 9.117 237 HG21 ILE 30 1HG2 ILE 30 1.134 2.465 9.933 238 HG22 ILE 30 2HG2 ILE 30 1.470 1.981 11.603 239 HG23 ILE 30 3HG2 ILE 30 2.140 3.494 10.949 240 HD11 ILE 30 3HD1 ILE 30 4.500 1.668 7.041 241 HD12 ILE 30 1HD1 ILE 30 5.269 0.922 8.411 242 HD13 ILE 30 2HD1 ILE 30 3.671 0.365 7.886 243 H SER 31 H SER 31 6.609 2.352 10.791 244 HA SER 31 HA SER 31 7.719 0.547 9.130 245 HB2 SER 31 1HB SER 31 8.871 2.524 9.800 246 HB3 SER 31 2HB SER 31 9.063 1.923 11.460 247 HG SER 31 HG SER 31 10.937 1.321 10.627 248 H VAL 32 H VAL 32 7.511 -1.542 9.130 249 HA VAL 32 HA VAL 32 7.386 -3.274 11.397 250 HB VAL 32 HB VAL 32 6.299 -3.719 9.198 251 HG11 VAL 32 1HG1 VAL 32 8.887 -4.806 8.141 252 HG12 VAL 32 2HG1 VAL 32 7.362 -4.446 7.300 253 HG13 VAL 32 3HG1 VAL 32 8.403 -3.122 7.843 254 HG21 VAL 32 3HG2 VAL 32 6.649 -6.097 9.126 255 HG22 VAL 32 1HG2 VAL 32 8.111 -5.966 10.123 256 HG23 VAL 32 2HG2 VAL 32 6.522 -5.530 10.807 257 H ASP 33 H ASP 33 8.858 -4.560 12.412 258 HA ASP 33 HA ASP 33 11.663 -3.916 12.345 259 HB2 ASP 33 1HB ASP 33 9.923 -5.966 13.715 260 HB3 ASP 33 2HB ASP 33 11.658 -6.241 13.694 261 H SER 34 H SER 34 13.457 -5.104 11.639 262 HA SER 34 HA SER 34 13.259 -6.411 9.124 263 HB2 SER 34 1HB SER 34 15.277 -5.237 9.878 264 HB3 SER 34 2HB SER 34 15.515 -6.425 11.174 265 HG SER 34 HG SER 34 16.817 -7.062 9.507 266 H THR 35 H THR 35 13.857 -7.914 12.351 267 HA THR 35 HA THR 35 14.032 -10.614 11.490 268 HB THR 35 HB THR 35 12.863 -9.550 14.095 269 HG1 THR 35 HG1 THR 35 15.518 -10.271 13.385 270 HG21 THR 35 3HG2 THR 35 14.114 -12.252 13.420 271 HG22 THR 35 1HG2 THR 35 12.425 -11.949 13.892 272 HG23 THR 35 2HG2 THR 35 13.724 -11.679 15.059 273 H THR 36 H THR 36 11.173 -8.727 12.471 274 HA THR 36 HA THR 36 9.226 -10.783 11.965 275 HB THR 36 HB THR 36 8.811 -7.769 12.053 276 HG1 THR 36 HG1 THR 36 8.461 -8.139 14.270 277 HG21 THR 36 3HG2 THR 36 6.574 -8.395 12.923 278 HG22 THR 36 1HG2 THR 36 6.977 -10.120 12.723 279 HG23 THR 36 2HG2 THR 36 6.848 -9.061 11.307 280 H TRP 37 H TRP 37 10.601 -8.208 9.909 281 HA TRP 37 HA TRP 37 8.735 -8.086 7.908 282 HB2 TRP 37 1HB TRP 37 10.609 -6.561 7.944 283 HB3 TRP 37 2HB TRP 37 11.749 -7.875 7.730 284 HD1 TRP 37 HD1 TRP 37 12.864 -7.272 5.541 285 HE1 TRP 37 HE1 TRP 37 12.097 -6.997 3.098 286 HE3 TRP 37 HE3 TRP 37 7.782 -7.400 6.247 287 HZ2 TRP 37 HZ2 TRP 37 9.599 -7.069 1.628 288 HZ3 TRP 37 HZ3 TRP 37 6.280 -7.512 4.339 289 HH2 TRP 37 HH2 TRP 37 7.138 -7.333 2.016 290 H ASN 38 H ASN 38 11.458 -10.360 7.997 291 HA ASN 38 HA ASN 38 10.997 -11.800 5.625 292 HB2 ASN 38 1HB ASN 38 11.904 -12.923 8.311 293 HB3 ASN 38 2HB ASN 38 12.208 -13.641 6.726 294 HD21 ASN 38 2HD2 ASN 38 13.835 -12.141 9.075 295 HD22 ASN 38 1HD2 ASN 38 14.954 -11.198 8.098 296 H ARG 39 H ARG 39 9.201 -11.965 8.609 297 HA ARG 39 HA ARG 39 7.606 -14.358 7.887 298 HB2 ARG 39 1HB ARG 39 7.036 -12.517 10.230 299 HB3 ARG 39 2HB ARG 39 6.644 -14.211 10.032 300 HG2 ARG 39 1HG ARG 39 9.360 -12.970 10.623 301 HG3 ARG 39 2HG ARG 39 8.395 -13.986 11.679 302 HD2 ARG 39 1HD ARG 39 9.793 -14.861 9.118 303 HD3 ARG 39 2HD ARG 39 10.315 -15.205 10.768 304 HE ARG 39 HE ARG 39 7.771 -16.251 10.713 305 HH11 ARG 39 1HH1 ARG 39 10.572 -16.832 8.706 306 HH12 ARG 39 2HH1 ARG 39 10.082 -18.460 8.327 307 HH21 ARG 39 1HH2 ARG 39 7.194 -18.323 10.201 308 HH22 ARG 39 2HH2 ARG 39 8.216 -19.280 9.170 309 H ARG 40 H ARG 40 7.029 -10.895 8.452 310 HA ARG 40 HA ARG 40 4.312 -10.754 7.648 311 HB2 ARG 40 1HB ARG 40 6.423 -8.822 8.221 312 HB3 ARG 40 2HB ARG 40 5.566 -8.342 6.775 313 HG2 ARG 40 1HG ARG 40 4.169 -7.333 8.154 314 HG3 ARG 40 2HG ARG 40 3.395 -8.903 8.341 315 HD2 ARG 40 1HD ARG 40 4.731 -9.262 10.412 316 HD3 ARG 40 2HD ARG 40 5.597 -7.748 10.072 317 HE ARG 40 HE ARG 40 3.840 -6.473 10.814 318 HH11 ARG 40 1HH1 ARG 40 2.542 -9.761 10.650 319 HH12 ARG 40 2HH1 ARG 40 1.329 -9.380 11.826 320 HH21 ARG 40 1HH2 ARG 40 2.155 -6.067 12.144 321 HH22 ARG 40 2HH2 ARG 40 1.057 -7.340 12.577 322 H TYR 41 H TYR 41 7.169 -10.850 5.623 323 HA TYR 41 HA TYR 41 6.200 -10.065 3.148 324 HB2 TYR 41 1HB TYR 41 8.532 -11.009 3.986 325 HB3 TYR 41 2HB TYR 41 7.937 -12.536 3.376 326 HD1 TYR 41 HD1 TYR 41 6.801 -12.182 0.809 327 HD2 TYR 41 HD2 TYR 41 9.963 -9.860 2.614 328 HE1 TYR 41 HE1 TYR 41 7.493 -11.362 -1.435 329 HE2 TYR 41 HE2 TYR 41 10.699 -9.125 0.347 330 HH TYR 41 HH TYR 41 9.027 -10.207 -2.623 331 H ARG 42 H ARG 42 5.740 -13.188 4.734 332 HA ARG 42 HA ARG 42 4.489 -14.598 2.516 333 HB2 ARG 42 1HB ARG 42 4.371 -15.084 5.541 334 HB3 ARG 42 2HB ARG 42 3.741 -16.210 4.349 335 HG2 ARG 42 1HG ARG 42 6.640 -15.313 4.267 336 HG3 ARG 42 2HG ARG 42 6.119 -16.591 5.353 337 HD2 ARG 42 1HD ARG 42 5.266 -16.826 2.477 338 HD3 ARG 42 2HD ARG 42 6.984 -17.058 2.836 339 HE ARG 42 HE ARG 42 5.655 -18.632 4.715 340 HH11 ARG 42 1HH1 ARG 42 5.763 -18.648 1.224 341 HH12 ARG 42 2HH1 ARG 42 5.638 -20.385 1.136 342 HH21 ARG 42 1HH2 ARG 42 5.535 -20.831 4.551 343 HH22 ARG 42 2HH2 ARG 42 5.515 -21.580 2.983 344 H GLU 43 H GLU 43 3.011 -13.289 5.467 345 HA GLU 43 HA GLU 43 0.296 -13.593 4.567 346 HB2 GLU 43 1HB GLU 43 -0.315 -11.892 6.249 347 HB3 GLU 43 2HB GLU 43 0.610 -13.259 6.880 348 HG2 GLU 43 1HG GLU 43 2.640 -11.878 6.930 349 HG3 GLU 43 2HG GLU 43 1.728 -10.486 6.319 350 H TYR 44 H TYR 44 2.483 -10.732 4.280 351 HA TYR 44 HA TYR 44 0.657 -9.101 2.861 352 HB2 TYR 44 1HB TYR 44 3.672 -9.236 2.893 353 HB3 TYR 44 2HB TYR 44 2.791 -8.048 1.982 354 HD1 TYR 44 HD1 TYR 44 0.820 -8.482 4.928 355 HD2 TYR 44 HD2 TYR 44 4.519 -6.786 3.502 356 HE1 TYR 44 HE1 TYR 44 0.877 -6.974 6.880 357 HE2 TYR 44 HE2 TYR 44 4.670 -5.402 5.623 358 HH TYR 44 HH TYR 44 1.991 -5.305 7.966 359 H MET 45 H MET 45 2.991 -11.469 1.478 360 HA MET 45 HA MET 45 2.333 -11.095 -1.251 361 HB2 MET 45 1HB MET 45 3.563 -13.284 0.360 362 HB3 MET 45 2HB MET 45 2.735 -13.833 -1.068 363 HG2 MET 45 1HG MET 45 4.252 -11.645 -1.989 364 HG3 MET 45 2HG MET 45 5.292 -12.495 -0.850 365 HE1 MET 45 3HE MET 45 6.423 -12.294 -3.596 366 HE2 MET 45 1HE MET 45 7.129 -13.482 -2.468 367 HE3 MET 45 2HE MET 45 6.746 -13.959 -4.134 368 H GLU 46 H GLU 46 0.519 -12.813 1.234 369 HA GLU 46 HA GLU 46 -1.416 -13.973 -0.638 370 HB2 GLU 46 1HB GLU 46 -1.142 -15.396 1.102 371 HB3 GLU 46 2HB GLU 46 -0.743 -14.131 2.266 372 HG2 GLU 46 1HG GLU 46 -3.019 -13.458 2.464 373 HG3 GLU 46 2HG GLU 46 -3.497 -14.562 1.154 374 H LYS 47 H LYS 47 -1.281 -11.156 1.563 375 HA LYS 47 HA LYS 47 -3.999 -10.371 1.285 376 HB2 LYS 47 1HB LYS 47 -1.444 -8.933 1.989 377 HB3 LYS 47 2HB LYS 47 -2.793 -7.948 1.449 378 HG2 LYS 47 1HG LYS 47 -2.800 -7.934 3.764 379 HG3 LYS 47 2HG LYS 47 -4.233 -8.812 3.221 380 HD2 LYS 47 1HD LYS 47 -3.301 -10.914 3.934 381 HD3 LYS 47 2HD LYS 47 -1.688 -10.177 4.178 382 HE2 LYS 47 1HE LYS 47 -2.351 -8.867 5.985 383 HE3 LYS 47 2HE LYS 47 -4.069 -9.098 5.647 384 HZ1 LYS 47 3HZ LYS 47 -3.260 -11.631 6.101 385 HZ2 LYS 47 1HZ LYS 47 -3.937 -10.670 7.226 386 HZ3 LYS 47 2HZ LYS 47 -2.311 -10.812 7.167 387 H ILE 48 H ILE 48 -1.519 -10.248 -1.069 388 HA ILE 48 HA ILE 48 -2.542 -8.216 -2.810 389 HB ILE 48 HB ILE 48 -0.930 -10.583 -3.746 390 HG12 ILE 48 1HG1 ILE 48 0.172 -9.987 -1.763 391 HG13 ILE 48 2HG1 ILE 48 1.117 -9.330 -3.093 392 HG21 ILE 48 1HG2 ILE 48 -0.907 -7.640 -4.528 393 HG22 ILE 48 2HG2 ILE 48 0.149 -8.914 -5.164 394 HG23 ILE 48 3HG2 ILE 48 -1.586 -8.977 -5.486 395 HD11 ILE 48 3HD1 ILE 48 -0.030 -7.052 -2.641 396 HD12 ILE 48 1HD1 ILE 48 -0.657 -7.767 -1.150 397 HD13 ILE 48 2HD1 ILE 48 1.098 -7.643 -1.426 398 H LYS 49 H LYS 49 -3.468 -11.526 -2.362 399 HA LYS 49 HA LYS 49 -5.411 -11.348 -4.657 400 HB2 LYS 49 1HB LYS 49 -5.061 -13.589 -5.180 401 HB3 LYS 49 2HB LYS 49 -3.442 -12.970 -4.846 402 HG2 LYS 49 1HG LYS 49 -3.815 -13.879 -2.431 403 HG3 LYS 49 2HG LYS 49 -5.210 -14.721 -3.107 404 HD2 LYS 49 1HD LYS 49 -3.754 -16.402 -3.418 405 HD3 LYS 49 2HD LYS 49 -3.274 -15.515 -4.875 406 HE2 LYS 49 1HE LYS 49 -1.469 -14.382 -3.559 407 HE3 LYS 49 2HE LYS 49 -2.014 -15.232 -2.105 408 HZ1 LYS 49 3HZ LYS 49 -0.926 -16.564 -4.522 409 HZ2 LYS 49 1HZ LYS 49 -1.441 -17.335 -3.177 410 HZ3 LYS 49 2HZ LYS 49 -0.128 -16.368 -3.112 411 H THR 50 H THR 50 -5.064 -11.993 -1.299 412 HA THR 50 HA THR 50 -7.984 -12.750 -1.049 413 HB THR 50 HB THR 50 -7.521 -13.791 1.021 414 HG1 THR 50 HG1 THR 50 -4.824 -12.968 0.785 415 HG21 THR 50 3HG2 THR 50 -5.983 -15.548 0.513 416 HG22 THR 50 1HG2 THR 50 -5.111 -14.546 -0.653 417 HG23 THR 50 2HG2 THR 50 -6.768 -15.102 -1.020 418 H GLY 51 H GLY 51 -5.599 -10.413 -0.103 419 HA2 GLY 51 1HA GLY 51 -7.011 -9.345 2.195 420 HA3 GLY 51 2HA GLY 51 -5.557 -8.684 1.436 421 H SER 52 H SER 52 -8.076 -7.503 2.334 422 HA SER 52 HA SER 52 -9.423 -6.579 -0.065 423 HB2 SER 52 1HB SER 52 -10.323 -7.045 2.323 424 HB3 SER 52 2HB SER 52 -9.675 -5.432 2.728 425 HG SER 52 HG SER 52 -11.386 -5.990 0.517 426 H VAL 53 H VAL 53 -9.968 -4.137 0.011 427 HA VAL 53 HA VAL 53 -7.900 -2.507 -0.896 428 HB VAL 53 HB VAL 53 -10.174 -1.990 -1.295 429 HG11 VAL 53 1HG1 VAL 53 -10.613 -1.413 1.628 430 HG12 VAL 53 2HG1 VAL 53 -11.763 -1.247 0.298 431 HG13 VAL 53 3HG1 VAL 53 -11.200 -2.845 0.763 432 HG21 VAL 53 3HG2 VAL 53 -8.493 -0.114 -1.110 433 HG22 VAL 53 1HG2 VAL 53 -10.193 0.348 -0.974 434 HG23 VAL 53 2HG2 VAL 53 -9.186 0.260 0.482 435 H PHE 54 H PHE 54 -9.215 -2.423 2.411 436 HA PHE 54 HA PHE 54 -7.397 -0.582 3.538 437 HB2 PHE 54 1HB PHE 54 -8.942 -2.904 4.765 438 HB3 PHE 54 2HB PHE 54 -8.099 -1.674 5.707 439 HD1 PHE 54 HD2 PHE 54 -8.737 0.887 4.731 440 HD2 PHE 54 HD1 PHE 54 -11.281 -2.593 4.672 441 HE1 PHE 54 HE2 PHE 54 -10.724 2.340 4.603 442 HE2 PHE 54 HE1 PHE 54 -13.278 -1.095 4.573 443 HZ PHE 54 HZ PHE 54 -13.000 1.353 4.628 444 H GLU 55 H GLU 55 -6.979 -3.995 2.883 445 HA GLU 55 HA GLU 55 -4.542 -4.281 4.522 446 HB2 GLU 55 1HB GLU 55 -5.934 -6.231 2.641 447 HB3 GLU 55 2HB GLU 55 -4.571 -6.576 3.693 448 HG2 GLU 55 1HG GLU 55 -5.881 -6.136 5.688 449 HG3 GLU 55 2HG GLU 55 -7.262 -5.595 4.733 450 H ILE 56 H ILE 56 -5.310 -4.396 0.967 451 HA ILE 56 HA ILE 56 -2.740 -4.586 -0.092 452 HB ILE 56 HB ILE 56 -5.188 -3.054 -1.003 453 HG12 ILE 56 1HG1 ILE 56 -5.286 -5.518 -0.950 454 HG13 ILE 56 2HG1 ILE 56 -5.491 -4.841 -2.560 455 HG21 ILE 56 1HG2 ILE 56 -3.405 -1.814 -2.054 456 HG22 ILE 56 2HG2 ILE 56 -2.589 -3.302 -2.569 457 HG23 ILE 56 3HG2 ILE 56 -4.175 -2.838 -3.238 458 HD11 ILE 56 3HD1 ILE 56 -3.004 -6.209 -1.465 459 HD12 ILE 56 1HD1 ILE 56 -4.167 -6.824 -2.655 460 HD13 ILE 56 2HD1 ILE 56 -3.119 -5.455 -3.073 461 H ALA 57 H ALA 57 -4.439 -1.580 0.836 462 HA ALA 57 HA ALA 57 -2.231 0.107 0.218 463 HB1 ALA 57 3HB ALA 57 -4.239 0.800 2.346 464 HB2 ALA 57 1HB ALA 57 -3.522 1.813 1.057 465 HB3 ALA 57 2HB ALA 57 -4.754 0.634 0.640 466 H GLU 58 H GLU 58 -2.921 -1.747 3.195 467 HA GLU 58 HA GLU 58 -0.778 -0.507 4.754 468 HB2 GLU 58 1HB GLU 58 -2.599 -2.906 5.099 469 HB3 GLU 58 2HB GLU 58 -1.145 -2.777 6.066 470 HG2 GLU 58 1HG GLU 58 -1.937 -0.382 6.634 471 HG3 GLU 58 2HG GLU 58 -3.494 -0.871 6.000 472 H VAL 59 H VAL 59 -1.074 -3.365 2.657 473 HA VAL 59 HA VAL 59 1.436 -4.563 3.227 474 HB VAL 59 HB VAL 59 -0.162 -4.636 0.621 475 HG11 VAL 59 1HG1 VAL 59 2.343 -5.995 1.538 476 HG12 VAL 59 2HG1 VAL 59 1.172 -6.927 0.600 477 HG13 VAL 59 3HG1 VAL 59 1.878 -5.445 -0.085 478 HG21 VAL 59 3HG2 VAL 59 -0.037 -6.967 2.489 479 HG22 VAL 59 1HG2 VAL 59 -1.022 -5.624 3.025 480 HG23 VAL 59 2HG2 VAL 59 -1.341 -6.349 1.444 481 H LEU 60 H LEU 60 0.664 -2.475 0.394 482 HA LEU 60 HA LEU 60 3.405 -2.224 -0.405 483 HB2 LEU 60 1HB LEU 60 2.564 -1.347 -2.175 484 HB3 LEU 60 2HB LEU 60 0.965 -1.542 -1.528 485 HG LEU 60 HG LEU 60 2.604 1.018 -1.159 486 HD11 LEU 60 1HD1 LEU 60 1.522 1.903 -3.048 487 HD12 LEU 60 2HD1 LEU 60 0.500 0.447 -3.250 488 HD13 LEU 60 3HD1 LEU 60 2.249 0.386 -3.530 489 HD21 LEU 60 3HD2 LEU 60 -0.320 0.261 -0.799 490 HD22 LEU 60 1HD2 LEU 60 0.218 1.950 -0.945 491 HD23 LEU 60 2HD2 LEU 60 0.763 0.980 0.400 492 H ARG 61 H ARG 61 1.566 -0.422 1.938 493 HA ARG 61 HA ARG 61 3.304 1.816 2.352 494 HB2 ARG 61 1HB ARG 61 1.045 1.833 3.197 495 HB3 ARG 61 2HB ARG 61 1.286 0.329 4.049 496 HG2 ARG 61 1HG ARG 61 3.052 1.692 5.456 497 HG3 ARG 61 2HG ARG 61 2.166 3.081 4.842 498 HD2 ARG 61 1HD ARG 61 1.138 2.607 6.856 499 HD3 ARG 61 2HD ARG 61 0.050 1.837 5.680 500 HE ARG 61 HE ARG 61 1.809 -0.207 6.483 501 HH11 ARG 61 1HH1 ARG 61 -0.584 1.811 8.158 502 HH12 ARG 61 2HH1 ARG 61 -0.973 0.458 9.195 503 HH21 ARG 61 1HH2 ARG 61 1.379 -1.634 7.930 504 HH22 ARG 61 2HH2 ARG 61 -0.004 -1.445 9.034 505 H ASP 62 H ASP 62 3.122 -1.261 4.219 506 HA ASP 62 HA ASP 62 5.430 -0.704 5.791 507 HB2 ASP 62 1HB ASP 62 4.041 -3.273 5.008 508 HB3 ASP 62 2HB ASP 62 5.536 -3.297 5.956 509 H LEU 63 H LEU 63 5.202 -2.393 2.654 510 HA LEU 63 HA LEU 63 7.973 -2.945 2.256 511 HB2 LEU 63 1HB LEU 63 5.633 -2.427 0.415 512 HB3 LEU 63 2HB LEU 63 7.240 -2.689 -0.241 513 HG LEU 63 HG LEU 63 6.252 -4.697 1.787 514 HD11 LEU 63 1HD1 LEU 63 4.327 -4.375 0.221 515 HD12 LEU 63 2HD1 LEU 63 5.064 -5.969 0.159 516 HD13 LEU 63 3HD1 LEU 63 5.399 -4.790 -1.133 517 HD21 LEU 63 3HD2 LEU 63 8.501 -4.942 0.870 518 HD22 LEU 63 1HD2 LEU 63 7.876 -4.787 -0.786 519 HD23 LEU 63 2HD2 LEU 63 7.480 -6.215 0.160 520 H TYR 64 H TYR 64 6.138 0.052 1.374 521 HA TYR 64 HA TYR 64 8.401 1.412 0.338 522 HB2 TYR 64 1HB TYR 64 5.656 2.151 1.111 523 HB3 TYR 64 2HB TYR 64 6.830 3.448 1.272 524 HD1 TYR 64 HD2 TYR 64 8.592 3.661 -0.721 525 HD2 TYR 64 HD1 TYR 64 4.705 1.844 -1.023 526 HE1 TYR 64 HE2 TYR 64 8.563 4.146 -3.150 527 HE2 TYR 64 HE1 TYR 64 4.668 2.322 -3.450 528 HH TYR 64 HH TYR 64 7.359 4.079 -5.072 529 H LEU 65 H LEU 65 7.023 1.598 3.634 530 HA LEU 65 HA LEU 65 9.044 3.449 4.567 531 HB2 LEU 65 1HB LEU 65 7.037 1.676 6.007 532 HB3 LEU 65 2HB LEU 65 8.257 2.619 6.857 533 HG LEU 65 HG LEU 65 7.330 4.684 5.486 534 HD11 LEU 65 1HD1 LEU 65 4.972 2.828 5.331 535 HD12 LEU 65 2HD1 LEU 65 5.811 3.606 3.985 536 HD13 LEU 65 3HD1 LEU 65 4.911 4.582 5.162 537 HD21 LEU 65 3HD2 LEU 65 7.218 4.547 7.881 538 HD22 LEU 65 1HD2 LEU 65 6.024 3.274 7.814 539 HD23 LEU 65 2HD2 LEU 65 5.558 4.913 7.326 540 H LEU 66 H LEU 66 9.030 -0.065 4.355 541 HA LEU 66 HA LEU 66 11.204 -0.701 6.047 542 HB2 LEU 66 1HB LEU 66 9.951 -1.876 3.587 543 HB3 LEU 66 2HB LEU 66 11.550 -2.446 3.977 544 HG LEU 66 HG LEU 66 9.449 -2.358 6.125 545 HD11 LEU 66 1HD1 LEU 66 9.765 -4.492 3.986 546 HD12 LEU 66 2HD1 LEU 66 8.308 -3.571 4.377 547 HD13 LEU 66 3HD1 LEU 66 8.916 -4.744 5.526 548 HD21 LEU 66 3HD2 LEU 66 11.763 -4.267 5.562 549 HD22 LEU 66 1HD2 LEU 66 10.769 -4.230 7.025 550 HD23 LEU 66 2HD2 LEU 66 11.853 -2.879 6.668 551 H LYS 67 H LYS 67 11.252 0.604 2.743 552 HA LYS 67 HA LYS 67 14.214 0.711 2.730 553 HB2 LYS 67 1HB LYS 67 12.679 0.222 0.686 554 HB3 LYS 67 2HB LYS 67 12.309 1.934 0.723 555 HG2 LYS 67 1HG LYS 67 13.979 1.931 -0.804 556 HG3 LYS 67 2HG LYS 67 14.941 2.268 0.603 557 HD2 LYS 67 1HD LYS 67 14.650 -0.655 0.028 558 HD3 LYS 67 2HD LYS 67 15.348 0.277 -1.284 559 HE2 LYS 67 1HE LYS 67 17.163 -0.540 -0.111 560 HE3 LYS 67 2HE LYS 67 17.083 1.182 0.258 561 HZ1 LYS 67 3HZ LYS 67 16.033 -0.954 2.051 562 HZ2 LYS 67 1HZ LYS 67 16.192 0.644 2.422 563 HZ3 LYS 67 2HZ LYS 67 17.509 -0.283 2.208 564 H GLY 68 H GLY 68 11.495 2.898 3.166 565 HA2 GLY 68 1HA GLY 68 11.376 5.069 4.001 566 HA3 GLY 68 2HA GLY 68 13.101 5.010 4.369 567 H ASP 69 H ASP 69 12.162 4.306 1.062 568 HA ASP 69 HA ASP 69 12.565 7.029 0.092 569 HB2 ASP 69 1HB ASP 69 14.878 5.557 0.530 570 HB3 ASP 69 2HB ASP 69 14.513 5.134 -1.136 571 H LYS 70 H LYS 70 12.532 7.112 -2.288 572 HA LYS 70 HA LYS 70 10.235 5.718 -3.381 573 HB2 LYS 70 1HB LYS 70 10.687 7.017 -5.411 574 HB3 LYS 70 2HB LYS 70 10.734 8.005 -3.957 575 HG2 LYS 70 1HG LYS 70 13.393 7.457 -4.148 576 HG3 LYS 70 2HG LYS 70 12.976 7.250 -5.840 577 HD2 LYS 70 1HD LYS 70 12.248 9.715 -4.189 578 HD3 LYS 70 2HD LYS 70 13.761 9.570 -5.088 579 HE2 LYS 70 1HE LYS 70 12.690 9.493 -7.193 580 HE3 LYS 70 2HE LYS 70 11.105 9.146 -6.491 581 HZ1 LYS 70 3HZ LYS 70 11.350 11.487 -7.198 582 HZ2 LYS 70 1HZ LYS 70 12.549 11.717 -6.112 583 HZ3 LYS 70 2HZ LYS 70 11.033 11.377 -5.602 584 H ASP 71 H ASP 71 13.678 5.271 -3.844 585 HA ASP 71 HA ASP 71 13.353 3.143 -5.873 586 HB2 ASP 71 1HB ASP 71 15.601 4.793 -4.798 587 HB3 ASP 71 2HB ASP 71 16.010 3.138 -5.215 588 H LEU 72 H LEU 72 12.082 1.709 -4.635 589 HA LEU 72 HA LEU 72 13.029 0.497 -2.222 590 HB2 LEU 72 1HB LEU 72 10.689 0.239 -3.909 591 HB3 LEU 72 2HB LEU 72 11.367 -1.372 -3.644 592 HG LEU 72 HG LEU 72 11.492 -0.844 -1.183 593 HD11 LEU 72 1HD1 LEU 72 10.304 1.027 -0.284 594 HD12 LEU 72 2HD1 LEU 72 9.650 1.484 -1.883 595 HD13 LEU 72 3HD1 LEU 72 11.356 1.698 -1.516 596 HD21 LEU 72 3HD2 LEU 72 9.393 -1.630 -0.779 597 HD22 LEU 72 1HD2 LEU 72 9.463 -1.983 -2.499 598 HD23 LEU 72 2HD2 LEU 72 8.609 -0.535 -1.912 599 H SER 73 H SER 73 13.657 -1.666 -1.819 600 HA SER 73 HA SER 73 16.038 -2.401 -3.289 601 HB2 SER 73 1HB SER 73 14.904 -2.986 -0.748 602 HB3 SER 73 2HB SER 73 14.974 -4.541 -1.588 603 HG SER 73 HG SER 73 16.933 -3.898 -0.430 604 H PHE 74 H PHE 74 16.398 -4.292 -4.589 605 HA PHE 74 HA PHE 74 14.456 -4.810 -6.521 606 HB2 PHE 74 1HB PHE 74 16.829 -5.274 -6.842 607 HB3 PHE 74 2HB PHE 74 16.767 -6.594 -5.676 608 HD1 PHE 74 HD2 PHE 74 15.687 -5.484 -9.066 609 HD2 PHE 74 HD1 PHE 74 15.844 -8.777 -6.281 610 HE1 PHE 74 HE2 PHE 74 15.017 -7.052 -10.873 611 HE2 PHE 74 HE1 PHE 74 15.167 -10.337 -8.089 612 HZ PHE 74 HZ PHE 74 14.750 -9.477 -10.386 613 H GLY 75 H GLY 75 15.044 -6.775 -3.592 614 HA2 GLY 75 1HA GLY 75 13.093 -8.816 -4.128 615 HA3 GLY 75 2HA GLY 75 13.709 -8.366 -2.538 616 H GLU 76 H GLU 76 12.832 -5.861 -2.093 617 HA GLU 76 HA GLU 76 10.100 -6.263 -1.352 618 HB2 GLU 76 1HB GLU 76 11.692 -3.660 -1.449 619 HB3 GLU 76 2HB GLU 76 10.202 -3.946 -0.532 620 HG2 GLU 76 1HG GLU 76 11.358 -5.770 0.732 621 HG3 GLU 76 2HG GLU 76 12.859 -5.393 -0.115 622 H ARG 77 H ARG 77 11.545 -4.369 -3.971 623 HA ARG 77 HA ARG 77 9.271 -3.115 -5.081 624 HB2 ARG 77 1HB ARG 77 11.759 -2.803 -5.619 625 HB3 ARG 77 2HB ARG 77 11.626 -4.231 -6.629 626 HG2 ARG 77 1HG ARG 77 11.466 -2.454 -8.099 627 HG3 ARG 77 2HG ARG 77 9.781 -2.940 -7.930 628 HD2 ARG 77 1HD ARG 77 9.241 -1.017 -6.648 629 HD3 ARG 77 2HD ARG 77 10.931 -0.759 -6.165 630 HE ARG 77 HE ARG 77 10.744 -0.509 -8.999 631 HH11 ARG 77 1HH1 ARG 77 9.761 1.362 -6.220 632 HH12 ARG 77 2HH1 ARG 77 10.238 2.870 -6.937 633 HH21 ARG 77 1HH2 ARG 77 11.231 1.429 -9.923 634 HH22 ARG 77 2HH2 ARG 77 10.940 2.902 -9.051 635 H LYS 78 H LYS 78 10.277 -6.485 -5.385 636 HA LYS 78 HA LYS 78 8.699 -7.298 -7.626 637 HB2 LYS 78 1HB LYS 78 9.453 -8.955 -5.191 638 HB3 LYS 78 2HB LYS 78 8.794 -9.570 -6.688 639 HG2 LYS 78 1HG LYS 78 11.076 -7.894 -7.315 640 HG3 LYS 78 2HG LYS 78 11.550 -9.025 -6.054 641 HD2 LYS 78 1HD LYS 78 10.107 -10.030 -8.535 642 HD3 LYS 78 2HD LYS 78 11.801 -9.576 -8.610 643 HE2 LYS 78 1HE LYS 78 11.749 -11.900 -8.259 644 HE3 LYS 78 2HE LYS 78 12.364 -11.146 -6.787 645 HZ1 LYS 78 3HZ LYS 78 10.170 -11.489 -5.780 646 HZ2 LYS 78 1HZ LYS 78 10.753 -12.910 -6.321 647 HZ3 LYS 78 2HZ LYS 78 9.587 -12.150 -7.167 648 H MET 79 H MET 79 7.841 -7.497 -4.156 649 HA MET 79 HA MET 79 5.060 -8.222 -4.786 650 HB2 MET 79 1HB MET 79 6.382 -8.897 -2.646 651 HB3 MET 79 2HB MET 79 6.036 -7.247 -2.088 652 HG2 MET 79 1HG MET 79 3.540 -7.935 -2.859 653 HG3 MET 79 2HG MET 79 4.169 -9.554 -2.629 654 HE1 MET 79 3HE MET 79 5.320 -10.228 -0.052 655 HE2 MET 79 1HE MET 79 6.253 -8.711 -0.132 656 HE3 MET 79 2HE MET 79 5.258 -9.064 1.287 657 H LEU 80 H LEU 80 6.793 -5.241 -3.825 658 HA LEU 80 HA LEU 80 4.593 -3.536 -3.435 659 HB2 LEU 80 1HB LEU 80 7.036 -2.950 -3.047 660 HB3 LEU 80 2HB LEU 80 7.203 -2.830 -4.805 661 HG LEU 80 HG LEU 80 5.167 -1.145 -4.591 662 HD11 LEU 80 1HD1 LEU 80 5.043 -1.700 -2.059 663 HD12 LEU 80 2HD1 LEU 80 4.844 -0.042 -2.624 664 HD13 LEU 80 3HD1 LEU 80 6.387 -0.556 -1.915 665 HD21 LEU 80 3HD2 LEU 80 8.047 -0.498 -4.019 666 HD22 LEU 80 1HD2 LEU 80 6.789 0.719 -4.303 667 HD23 LEU 80 2HD2 LEU 80 7.176 -0.461 -5.559 668 H ASP 81 H ASP 81 6.243 -4.259 -6.570 669 HA ASP 81 HA ASP 81 4.745 -2.634 -8.272 670 HB2 ASP 81 1HB ASP 81 6.727 -3.913 -8.926 671 HB3 ASP 81 2HB ASP 81 5.847 -5.429 -8.736 672 H THR 82 H THR 82 3.798 -5.821 -6.978 673 HA THR 82 HA THR 82 1.313 -5.947 -8.495 674 HB THR 82 HB THR 82 1.694 -7.553 -5.989 675 HG1 THR 82 HG1 THR 82 3.106 -8.048 -8.397 676 HG21 THR 82 3HG2 THR 82 -0.285 -7.860 -7.499 677 HG22 THR 82 1HG2 THR 82 0.728 -9.318 -7.428 678 HG23 THR 82 2HG2 THR 82 0.813 -8.247 -8.839 679 H ALA 83 H ALA 83 2.149 -5.118 -5.080 680 HA ALA 83 HA ALA 83 -0.584 -4.584 -4.325 681 HB1 ALA 83 3HB ALA 83 1.960 -3.523 -3.057 682 HB2 ALA 83 1HB ALA 83 0.337 -3.672 -2.313 683 HB3 ALA 83 2HB ALA 83 1.251 -5.124 -2.745 684 H ARG 84 H ARG 84 1.871 -2.548 -5.821 685 HA ARG 84 HA ARG 84 0.634 0.035 -5.669 686 HB2 ARG 84 1HB ARG 84 2.539 -1.291 -7.637 687 HB3 ARG 84 2HB ARG 84 1.954 0.332 -7.943 688 HG2 ARG 84 1HG ARG 84 3.214 -0.333 -5.286 689 HG3 ARG 84 2HG ARG 84 4.233 -0.085 -6.691 690 HD2 ARG 84 1HD ARG 84 2.221 2.047 -6.458 691 HD3 ARG 84 2HD ARG 84 3.176 1.908 -4.990 692 HE ARG 84 HE ARG 84 5.183 1.891 -6.728 693 HH11 ARG 84 1HH1 ARG 84 2.516 4.106 -6.640 694 HH12 ARG 84 2HH1 ARG 84 3.470 5.417 -7.288 695 HH21 ARG 84 1HH2 ARG 84 6.289 3.517 -7.687 696 HH22 ARG 84 2HH2 ARG 84 5.508 5.034 -8.010 697 H SER 85 H SER 85 0.385 -2.440 -8.258 698 HA SER 85 HA SER 85 -1.490 -0.949 -9.817 699 HB2 SER 85 1HB SER 85 -1.770 -2.856 -11.160 700 HB3 SER 85 2HB SER 85 -0.070 -2.838 -10.661 701 HG SER 85 HG SER 85 -1.161 -4.921 -10.501 702 H LEU 86 H LEU 86 -1.967 -2.845 -6.977 703 HA LEU 86 HA LEU 86 -4.906 -2.921 -7.314 704 HB2 LEU 86 1HB LEU 86 -2.999 -3.980 -5.188 705 HB3 LEU 86 2HB LEU 86 -4.744 -4.109 -5.045 706 HG LEU 86 HG LEU 86 -3.256 -5.223 -7.454 707 HD11 LEU 86 1HD1 LEU 86 -2.377 -6.215 -5.386 708 HD12 LEU 86 2HD1 LEU 86 -3.247 -7.376 -6.403 709 HD13 LEU 86 3HD1 LEU 86 -4.028 -6.724 -4.948 710 HD21 LEU 86 3HD2 LEU 86 -5.564 -6.754 -6.812 711 HD22 LEU 86 1HD2 LEU 86 -5.357 -5.637 -8.166 712 HD23 LEU 86 2HD2 LEU 86 -6.071 -5.077 -6.633 713 H LEU 87 H LEU 87 -2.528 -1.224 -5.232 714 HA LEU 87 HA LEU 87 -4.182 0.136 -3.491 715 HB2 LEU 87 1HB LEU 87 -1.750 0.355 -3.480 716 HB3 LEU 87 2HB LEU 87 -1.771 1.162 -5.052 717 HG LEU 87 HG LEU 87 -3.155 3.028 -3.958 718 HD11 LEU 87 1HD1 LEU 87 -2.790 3.270 -1.495 719 HD12 LEU 87 2HD1 LEU 87 -2.116 1.632 -1.457 720 HD13 LEU 87 3HD1 LEU 87 -3.818 1.874 -1.877 721 HD21 LEU 87 3HD2 LEU 87 -0.415 2.762 -2.880 722 HD22 LEU 87 1HD2 LEU 87 -1.321 4.220 -3.306 723 HD23 LEU 87 2HD2 LEU 87 -0.752 3.137 -4.586 724 H ILE 88 H ILE 88 -3.262 1.434 -6.719 725 HA ILE 88 HA ILE 88 -5.238 3.502 -6.517 726 HB ILE 88 HB ILE 88 -4.668 4.312 -8.537 727 HG12 ILE 88 1HG1 ILE 88 -5.033 2.371 -10.018 728 HG13 ILE 88 2HG1 ILE 88 -3.502 3.178 -10.365 729 HG21 ILE 88 1HG2 ILE 88 -2.021 3.042 -7.982 730 HG22 ILE 88 2HG2 ILE 88 -2.500 4.718 -8.404 731 HG23 ILE 88 3HG2 ILE 88 -2.806 4.055 -6.789 732 HD11 ILE 88 3HD1 ILE 88 -3.443 0.684 -10.473 733 HD12 ILE 88 1HD1 ILE 88 -2.263 1.363 -9.350 734 HD13 ILE 88 2HD1 ILE 88 -3.763 0.631 -8.731 735 H LYS 89 H LYS 89 -5.669 0.291 -7.279 736 HA LYS 89 HA LYS 89 -7.786 0.413 -9.276 737 HB2 LYS 89 1HB LYS 89 -6.241 -1.522 -8.747 738 HB3 LYS 89 2HB LYS 89 -7.225 -1.847 -7.319 739 HG2 LYS 89 1HG LYS 89 -9.100 -2.487 -8.521 740 HG3 LYS 89 2HG LYS 89 -8.501 -1.810 -10.052 741 HD2 LYS 89 1HD LYS 89 -6.998 -3.983 -8.545 742 HD3 LYS 89 2HD LYS 89 -8.285 -4.407 -9.662 743 HE2 LYS 89 1HE LYS 89 -6.098 -2.524 -10.592 744 HE3 LYS 89 2HE LYS 89 -5.715 -4.238 -10.443 745 HZ1 LYS 89 3HZ LYS 89 -7.514 -4.753 -11.959 746 HZ2 LYS 89 1HZ LYS 89 -6.543 -3.653 -12.674 747 HZ3 LYS 89 2HZ LYS 89 -7.983 -3.189 -12.056 748 H GLU 90 H GLU 90 -7.819 0.029 -5.743 749 HA GLU 90 HA GLU 90 -10.760 -0.002 -5.602 750 HB2 GLU 90 1HB GLU 90 -8.923 0.536 -3.272 751 HB3 GLU 90 2HB GLU 90 -10.534 -0.147 -3.289 752 HG2 GLU 90 1HG GLU 90 -9.692 -2.193 -3.320 753 HG3 GLU 90 2HG GLU 90 -9.094 -1.916 -4.918 754 H LEU 91 H LEU 91 -8.147 2.207 -4.673 755 HA LEU 91 HA LEU 91 -9.701 4.473 -3.932 756 HB2 LEU 91 1HB LEU 91 -6.822 4.290 -4.937 757 HB3 LEU 91 2HB LEU 91 -7.518 5.644 -4.032 758 HG LEU 91 HG LEU 91 -7.222 2.792 -2.976 759 HD11 LEU 91 1HD1 LEU 91 -5.446 3.846 -1.501 760 HD12 LEU 91 2HD1 LEU 91 -5.447 5.218 -2.638 761 HD13 LEU 91 3HD1 LEU 91 -5.046 3.604 -3.200 762 HD21 LEU 91 3HD2 LEU 91 -7.998 3.399 -1.027 763 HD22 LEU 91 1HD2 LEU 91 -8.971 4.516 -1.959 764 HD23 LEU 91 2HD2 LEU 91 -7.521 5.113 -1.142 765 H SER 92 H SER 92 -9.020 3.212 -7.028 766 HA SER 92 HA SER 92 -8.944 5.274 -8.719 767 HB2 SER 92 1HB SER 92 -9.488 3.849 -10.432 768 HB3 SER 92 2HB SER 92 -9.143 2.669 -9.172 769 HG SER 92 HG SER 92 -11.034 2.089 -10.125 770 H LEU 93 H LEU 93 -11.766 4.331 -6.972 771 HA LEU 93 HA LEU 93 -13.738 5.726 -8.437 772 HB2 LEU 93 1HB LEU 93 -13.659 4.080 -6.143 773 HB3 LEU 93 2HB LEU 93 -14.263 5.601 -5.520 774 HG LEU 93 HG LEU 93 -16.149 4.331 -6.099 775 HD11 LEU 93 1HD1 LEU 93 -16.122 6.734 -6.898 776 HD12 LEU 93 2HD1 LEU 93 -17.320 5.662 -7.663 777 HD13 LEU 93 3HD1 LEU 93 -15.848 6.109 -8.541 778 HD21 LEU 93 3HD2 LEU 93 -16.473 3.375 -8.428 779 HD22 LEU 93 1HD2 LEU 93 -15.212 2.596 -7.454 780 HD23 LEU 93 2HD2 LEU 93 -14.760 3.725 -8.745 781 H ALA 94 H ALA 94 -12.259 6.764 -5.389 782 HA ALA 94 HA ALA 94 -13.137 9.530 -5.661 783 HB1 ALA 94 3HB ALA 94 -12.826 8.239 -3.495 784 HB2 ALA 94 1HB ALA 94 -11.076 8.458 -3.741 785 HB3 ALA 94 2HB ALA 94 -12.116 9.866 -3.531 786 H LYS 95 H LYS 95 -10.377 7.890 -6.909 787 HA LYS 95 HA LYS 95 -8.315 9.728 -6.838 788 HB2 LYS 95 1HB LYS 95 -7.300 8.536 -8.488 789 HB3 LYS 95 2HB LYS 95 -8.574 7.381 -8.072 790 HG2 LYS 95 1HG LYS 95 -9.930 8.370 -9.979 791 HG3 LYS 95 2HG LYS 95 -8.493 9.285 -10.411 792 HD2 LYS 95 1HD LYS 95 -8.611 6.250 -10.420 793 HD3 LYS 95 2HD LYS 95 -8.935 7.300 -11.785 794 HE2 LYS 95 1HE LYS 95 -6.588 8.284 -11.309 795 HE3 LYS 95 2HE LYS 95 -6.324 6.832 -10.331 796 HZ1 LYS 95 3HZ LYS 95 -6.861 5.490 -12.301 797 HZ2 LYS 95 1HZ LYS 95 -5.680 6.547 -12.724 798 HZ3 LYS 95 2HZ LYS 95 -7.215 6.824 -13.179 799 H ASP 96 H ASP 96 -11.100 9.903 -8.874 800 HA ASP 96 HA ASP 96 -11.919 11.311 -10.443 801 HB2 ASP 96 1HB ASP 96 -12.279 12.237 -8.068 802 HB3 ASP 96 2HB ASP 96 -11.128 13.491 -8.511 803 H CYS 97 H CYS 97 -9.114 10.762 -10.972 804 HA CYS 97 HA CYS 97 -8.255 12.826 -12.833 805 HB2 CYS 97 1HB CYS 97 -7.738 13.463 -10.264 806 HB3 CYS 97 2HB CYS 97 -6.382 12.360 -10.507 807 HG CYS 97 HG CYS 97 -5.857 15.022 -10.789 808 H SER 98 H SER 98 -5.534 12.168 -12.904 809 HA SER 98 HA SER 98 -5.454 9.548 -14.232 810 HB2 SER 98 1HB SER 98 -3.664 11.892 -13.893 811 HB3 SER 98 2HB SER 98 -2.810 10.348 -13.878 812 HG SER 98 HG SER 98 -4.641 11.239 -15.883 813 H GLU 99 H GLU 99 -3.700 7.891 -13.681 814 HA GLU 99 HA GLU 99 -4.017 6.858 -10.998 815 HB2 GLU 99 1HB GLU 99 -1.897 6.258 -13.100 816 HB3 GLU 99 2HB GLU 99 -2.052 5.411 -11.546 817 HG2 GLU 99 1HG GLU 99 -4.385 4.791 -12.140 818 HG3 GLU 99 2HG GLU 99 -4.162 5.504 -13.741 819 H ASP 100 H ASP 100 -1.686 9.054 -12.373 820 HA ASP 100 HA ASP 100 0.299 9.192 -10.404 821 HB2 ASP 100 1HB ASP 100 -0.892 11.153 -12.366 822 HB3 ASP 100 2HB ASP 100 0.129 11.793 -11.092 823 H GLU 101 H GLU 101 -3.104 10.267 -9.982 824 HA GLU 101 HA GLU 101 -2.625 12.091 -7.802 825 HB2 GLU 101 1HB GLU 101 -4.780 11.970 -8.945 826 HB3 GLU 101 2HB GLU 101 -4.952 10.275 -8.544 827 HG2 GLU 101 1HG GLU 101 -6.023 10.744 -6.713 828 HG3 GLU 101 2HG GLU 101 -4.622 11.527 -6.021 829 H ILE 102 H ILE 102 -3.542 8.606 -7.783 830 HA ILE 102 HA ILE 102 -3.016 8.349 -4.923 831 HB ILE 102 HB ILE 102 -3.702 6.285 -6.979 832 HG12 ILE 102 1HG1 ILE 102 -5.595 7.112 -4.790 833 HG13 ILE 102 2HG1 ILE 102 -5.368 8.292 -6.064 834 HG21 ILE 102 1HG2 ILE 102 -2.551 5.270 -5.012 835 HG22 ILE 102 2HG2 ILE 102 -3.620 6.140 -3.918 836 HG23 ILE 102 3HG2 ILE 102 -4.275 4.884 -4.984 837 HD11 ILE 102 3HD1 ILE 102 -7.238 6.745 -6.477 838 HD12 ILE 102 1HD1 ILE 102 -6.017 6.726 -7.782 839 HD13 ILE 102 2HD1 ILE 102 -6.104 5.402 -6.620 840 H GLU 103 H GLU 103 -1.348 7.351 -7.932 841 HA GLU 103 HA GLU 103 0.729 5.843 -6.741 842 HB2 GLU 103 1HB GLU 103 0.340 7.286 -9.352 843 HB3 GLU 103 2HB GLU 103 1.959 6.780 -8.958 844 HG2 GLU 103 1HG GLU 103 1.184 4.451 -8.629 845 HG3 GLU 103 2HG GLU 103 -0.456 4.951 -8.966 846 H SER 104 H SER 104 0.655 9.377 -7.573 847 HA SER 104 HA SER 104 3.279 9.819 -6.396 848 HB2 SER 104 1HB SER 104 1.214 11.902 -7.167 849 HB3 SER 104 2HB SER 104 2.871 12.197 -6.669 850 HG SER 104 HG SER 104 1.955 10.951 -9.022 851 H ASP 105 H ASP 105 -0.088 10.140 -5.184 852 HA ASP 105 HA ASP 105 0.506 11.671 -2.906 853 HB2 ASP 105 1HB ASP 105 -1.611 9.649 -3.564 854 HB3 ASP 105 2HB ASP 105 -1.338 9.955 -1.869 855 H LEU 106 H LEU 106 1.403 8.357 -3.503 856 HA LEU 106 HA LEU 106 1.965 7.486 -0.868 857 HB2 LEU 106 1HB LEU 106 3.574 6.996 -3.415 858 HB3 LEU 106 2HB LEU 106 3.690 6.064 -1.932 859 HG LEU 106 HG LEU 106 1.289 6.218 -3.805 860 HD11 LEU 106 1HD1 LEU 106 3.274 4.885 -4.505 861 HD12 LEU 106 2HD1 LEU 106 1.765 3.953 -4.332 862 HD13 LEU 106 3HD1 LEU 106 3.035 3.860 -3.091 863 HD21 LEU 106 3HD2 LEU 106 -0.021 5.546 -2.101 864 HD22 LEU 106 1HD2 LEU 106 1.321 5.528 -0.970 865 HD23 LEU 106 2HD2 LEU 106 0.994 4.095 -1.904 866 H LYS 107 H LYS 107 3.821 9.713 -2.899 867 HA LYS 107 HA LYS 107 6.132 9.822 -1.200 868 HB2 LYS 107 1HB LYS 107 6.903 11.523 -2.512 869 HB3 LYS 107 2HB LYS 107 5.835 10.687 -3.622 870 HG2 LYS 107 1HG LYS 107 4.065 12.481 -3.019 871 HG3 LYS 107 2HG LYS 107 5.309 13.298 -2.111 872 HD2 LYS 107 1HD LYS 107 4.917 14.275 -4.326 873 HD3 LYS 107 2HD LYS 107 6.595 13.776 -4.090 874 HE2 LYS 107 1HE LYS 107 6.394 11.913 -5.514 875 HE3 LYS 107 2HE LYS 107 4.626 11.901 -5.414 876 HZ1 LYS 107 3HZ LYS 107 5.332 12.794 -7.549 877 HZ2 LYS 107 1HZ LYS 107 6.244 13.950 -6.842 878 HZ3 LYS 107 2HZ LYS 107 4.619 13.993 -6.706 879 H LYS 108 H LYS 108 3.097 11.503 -1.083 880 HA LYS 108 HA LYS 108 3.823 13.305 1.133 881 HB2 LYS 108 1HB LYS 108 1.480 12.899 -0.665 882 HB3 LYS 108 2HB LYS 108 1.012 13.141 1.002 883 HG2 LYS 108 1HG LYS 108 1.108 15.325 0.551 884 HG3 LYS 108 2HG LYS 108 2.831 15.161 0.798 885 HD2 LYS 108 1HD LYS 108 2.596 16.377 -1.193 886 HD3 LYS 108 2HD LYS 108 3.022 14.751 -1.751 887 HE2 LYS 108 1HE LYS 108 0.723 14.280 -2.366 888 HE3 LYS 108 2HE LYS 108 0.128 15.669 -1.455 889 HZ1 LYS 108 3HZ LYS 108 1.207 17.136 -3.052 890 HZ2 LYS 108 1HZ LYS 108 0.172 16.144 -3.823 891 HZ3 LYS 108 2HZ LYS 108 1.780 15.871 -3.915 892 H ILE 109 H ILE 109 2.215 10.189 0.791 893 HA ILE 109 HA ILE 109 1.396 10.034 3.575 894 HB ILE 109 HB ILE 109 1.675 7.806 1.557 895 HG12 ILE 109 1HG1 ILE 109 -1.018 9.031 2.229 896 HG13 ILE 109 2HG1 ILE 109 -0.045 9.844 1.040 897 HG21 ILE 109 1HG2 ILE 109 1.170 6.514 3.305 898 HG22 ILE 109 2HG2 ILE 109 0.902 7.890 4.373 899 HG23 ILE 109 3HG2 ILE 109 -0.425 7.268 3.417 900 HD11 ILE 109 3HD1 ILE 109 -1.761 7.845 0.396 901 HD12 ILE 109 1HD1 ILE 109 -0.324 8.203 -0.552 902 HD13 ILE 109 2HD1 ILE 109 -0.283 6.890 0.606 903 H PHE 110 H PHE 110 3.848 8.069 1.766 904 HA PHE 110 HA PHE 110 5.017 7.070 4.245 905 HB2 PHE 110 1HB PHE 110 6.050 6.679 1.443 906 HB3 PHE 110 2HB PHE 110 6.331 5.655 2.834 907 HD1 PHE 110 HD2 PHE 110 3.434 5.360 3.799 908 HD2 PHE 110 HD1 PHE 110 5.209 5.151 -0.135 909 HE1 PHE 110 HE2 PHE 110 1.495 4.030 2.950 910 HE2 PHE 110 HE1 PHE 110 3.322 3.780 -0.904 911 HZ PHE 110 HZ PHE 110 1.439 3.256 0.620 912 H ASN 111 H ASN 111 5.437 9.957 2.749 913 HA ASN 111 HA ASN 111 6.932 11.624 2.666 914 HB2 ASN 111 1HB ASN 111 6.752 11.049 5.186 915 HB3 ASN 111 2HB ASN 111 8.418 10.481 5.014 916 HD21 ASN 111 2HD2 ASN 111 6.274 13.299 4.956 917 HD22 ASN 111 1HD2 ASN 111 7.592 14.463 5.000 918 H LEU 112 H LEU 112 7.418 10.221 0.695 919 HA LEU 112 HA LEU 112 10.206 9.175 0.526 920 HB2 LEU 112 1HB LEU 112 8.133 9.301 -1.684 921 HB3 LEU 112 2HB LEU 112 9.582 8.324 -1.653 922 HG LEU 112 HG LEU 112 7.373 7.913 0.377 923 HD11 LEU 112 1HD1 LEU 112 7.358 7.221 -2.508 924 HD12 LEU 112 2HD1 LEU 112 6.038 7.374 -1.335 925 HD13 LEU 112 3HD1 LEU 112 6.963 5.894 -1.404 926 HD21 LEU 112 3HD2 LEU 112 8.282 5.708 0.621 927 HD22 LEU 112 1HD2 LEU 112 9.623 6.854 0.779 928 HD23 LEU 112 2HD2 LEU 112 9.388 5.959 -0.744 929 H ALA 113 H ALA 113 8.254 11.826 -0.776 930 HA ALA 113 HA ALA 113 10.541 13.368 -1.695 931 HB1 ALA 113 3HB ALA 113 10.189 11.853 -3.598 932 HB2 ALA 113 1HB ALA 113 8.500 12.376 -3.729 933 HB3 ALA 113 2HB ALA 113 9.805 13.534 -4.021 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -21.687 -7.450 5.418 2 H2 GLY 1 2H GLY 1 -23.294 -7.677 5.188 3 H3 GLY 1 3H GLY 1 -22.767 -6.509 6.211 4 HA2 GLY 1 1HA GLY 1 -23.518 -8.276 7.572 5 HA3 GLY 1 2HA GLY 1 -22.602 -9.424 6.582 6 H SER 2 H SER 2 -22.332 -9.290 9.374 7 HA SER 2 HA SER 2 -19.692 -8.067 9.931 8 HB2 SER 2 1HB SER 2 -20.320 -9.254 12.243 9 HB3 SER 2 2HB SER 2 -20.934 -7.664 11.785 10 HG SER 2 HG SER 2 -22.635 -8.923 12.524 11 H HIS 3 H HIS 3 -18.027 -9.314 10.928 12 HA HIS 3 HA HIS 3 -18.024 -12.224 10.900 13 HB2 HIS 3 1HB HIS 3 -16.842 -10.728 8.629 14 HB3 HIS 3 2HB HIS 3 -15.663 -11.741 9.434 15 HD1 HIS 3 HD1 HIS 3 -18.554 -12.019 7.057 16 HD2 HIS 3 HD2 HIS 3 -16.303 -14.451 9.681 17 HE1 HIS 3 HE1 HIS 3 -19.011 -14.463 6.364 18 HE2 HIS 3 HE2 HIS 3 -17.649 -15.938 7.977 19 H MET 4 H MET 4 -16.642 -13.030 12.364 20 HA MET 4 HA MET 4 -14.980 -11.196 14.005 21 HB2 MET 4 1HB MET 4 -15.798 -14.102 14.376 22 HB3 MET 4 2HB MET 4 -14.755 -13.195 15.483 23 HG2 MET 4 1HG MET 4 -16.505 -11.569 15.913 24 HG3 MET 4 2HG MET 4 -17.580 -12.337 14.747 25 HE1 MET 4 3HE MET 4 -18.962 -15.436 16.455 26 HE2 MET 4 1HE MET 4 -18.975 -14.335 15.062 27 HE3 MET 4 2HE MET 4 -17.614 -15.458 15.298 28 H GLY 5 H GLY 5 -13.269 -10.730 12.639 29 HA2 GLY 5 1HA GLY 5 -10.869 -11.926 12.923 30 HA3 GLY 5 2HA GLY 5 -11.510 -12.864 11.572 31 H SER 6 H SER 6 -11.808 -11.883 9.547 32 HA SER 6 HA SER 6 -10.068 -9.689 8.880 33 HB2 SER 6 1HB SER 6 -12.165 -10.626 6.949 34 HB3 SER 6 2HB SER 6 -10.451 -10.268 6.696 35 HG SER 6 HG SER 6 -10.389 -12.408 6.646 36 H VAL 7 H VAL 7 -10.798 -7.771 7.596 37 HA VAL 7 HA VAL 7 -12.844 -6.253 8.934 38 HB VAL 7 HB VAL 7 -11.704 -5.573 6.219 39 HG11 VAL 7 1HG1 VAL 7 -11.974 -3.402 8.210 40 HG12 VAL 7 2HG1 VAL 7 -12.530 -3.496 6.539 41 HG13 VAL 7 3HG1 VAL 7 -13.519 -4.154 7.843 42 HG21 VAL 7 3HG2 VAL 7 -9.902 -4.324 7.448 43 HG22 VAL 7 1HG2 VAL 7 -10.409 -5.142 8.943 44 HG23 VAL 7 2HG2 VAL 7 -9.743 -6.073 7.580 45 H GLY 8 H GLY 8 -13.006 -8.416 6.208 46 HA2 GLY 8 1HA GLY 8 -14.905 -9.385 5.243 47 HA3 GLY 8 2HA GLY 8 -15.937 -8.280 6.146 48 H LEU 9 H LEU 9 -13.304 -7.378 3.999 49 HA LEU 9 HA LEU 9 -15.150 -5.895 2.159 50 HB2 LEU 9 1HB LEU 9 -12.521 -5.258 3.491 51 HB3 LEU 9 2HB LEU 9 -12.776 -4.613 1.889 52 HG LEU 9 HG LEU 9 -13.241 -3.061 3.646 53 HD11 LEU 9 1HD1 LEU 9 -14.788 -3.442 1.365 54 HD12 LEU 9 2HD1 LEU 9 -14.606 -1.984 2.351 55 HD13 LEU 9 3HD1 LEU 9 -15.960 -3.093 2.652 56 HD21 LEU 9 3HD2 LEU 9 -14.170 -4.690 5.296 57 HD22 LEU 9 1HD2 LEU 9 -15.703 -4.640 4.411 58 HD23 LEU 9 2HD2 LEU 9 -15.057 -3.163 5.163 59 H ARG 10 H ARG 10 -13.986 -5.390 0.062 60 HA ARG 10 HA ARG 10 -12.374 -7.672 -1.031 61 HB2 ARG 10 1HB ARG 10 -14.893 -6.463 -2.259 62 HB3 ARG 10 2HB ARG 10 -13.775 -7.508 -3.134 63 HG2 ARG 10 1HG ARG 10 -15.359 -8.316 -0.653 64 HG3 ARG 10 2HG ARG 10 -15.787 -8.661 -2.325 65 HD2 ARG 10 1HD ARG 10 -13.203 -9.631 -2.239 66 HD3 ARG 10 2HD ARG 10 -13.731 -9.959 -0.593 67 HE ARG 10 HE ARG 10 -14.563 -11.276 -3.041 68 HH11 ARG 10 1HH1 ARG 10 -15.782 -10.579 0.156 69 HH12 ARG 10 2HH1 ARG 10 -17.022 -11.801 0.052 70 HH21 ARG 10 1HH2 ARG 10 -16.140 -12.800 -3.128 71 HH22 ARG 10 2HH2 ARG 10 -17.203 -13.038 -1.774 72 H GLU 11 H GLU 11 -13.718 -4.937 -2.722 73 HA GLU 11 HA GLU 11 -11.216 -3.418 -2.886 74 HB2 GLU 11 1HB GLU 11 -11.746 -5.531 -4.825 75 HB3 GLU 11 2HB GLU 11 -11.771 -3.961 -5.620 76 HG2 GLU 11 1HG GLU 11 -9.546 -3.430 -4.643 77 HG3 GLU 11 2HG GLU 11 -9.515 -5.019 -3.870 78 H ILE 12 H ILE 12 -14.283 -4.039 -4.644 79 HA ILE 12 HA ILE 12 -14.713 -1.418 -5.563 80 HB ILE 12 HB ILE 12 -15.807 -3.265 -6.559 81 HG12 ILE 12 1HG1 ILE 12 -18.073 -2.447 -6.819 82 HG13 ILE 12 2HG1 ILE 12 -17.974 -1.497 -5.341 83 HG21 ILE 12 1HG2 ILE 12 -17.050 -4.868 -5.582 84 HG22 ILE 12 2HG2 ILE 12 -16.352 -4.313 -4.053 85 HG23 ILE 12 3HG2 ILE 12 -17.936 -3.732 -4.550 86 HD11 ILE 12 3HD1 ILE 12 -16.006 -0.962 -7.581 87 HD12 ILE 12 1HD1 ILE 12 -17.662 -0.332 -7.665 88 HD13 ILE 12 2HD1 ILE 12 -16.613 0.139 -6.320 89 H ILE 13 H ILE 13 -14.842 0.316 -4.461 90 HA ILE 13 HA ILE 13 -16.716 0.676 -2.212 91 HB ILE 13 HB ILE 13 -14.968 1.853 -0.930 92 HG12 ILE 13 1HG1 ILE 13 -12.534 0.908 -1.429 93 HG13 ILE 13 2HG1 ILE 13 -13.091 0.810 -3.077 94 HG21 ILE 13 1HG2 ILE 13 -14.233 -1.052 -1.299 95 HG22 ILE 13 2HG2 ILE 13 -14.091 -0.057 0.158 96 HG23 ILE 13 3HG2 ILE 13 -15.691 -0.489 -0.451 97 HD11 ILE 13 3HD1 ILE 13 -11.822 2.839 -2.662 98 HD12 ILE 13 1HD1 ILE 13 -13.483 3.249 -3.120 99 HD13 ILE 13 2HD1 ILE 13 -12.950 3.349 -1.420 100 H SER 14 H SER 14 -16.561 3.072 -1.502 101 HA SER 14 HA SER 14 -16.541 4.909 -3.852 102 HB2 SER 14 1HB SER 14 -18.331 6.128 -2.746 103 HB3 SER 14 2HB SER 14 -18.799 4.430 -2.938 104 HG SER 14 HG SER 14 -19.204 4.686 -0.848 105 H GLU 15 H GLU 15 -16.502 7.293 -2.816 106 HA GLU 15 HA GLU 15 -13.934 7.849 -1.912 107 HB2 GLU 15 1HB GLU 15 -15.825 9.377 -2.859 108 HB3 GLU 15 2HB GLU 15 -16.314 9.560 -1.176 109 HG2 GLU 15 1HG GLU 15 -13.543 10.069 -1.109 110 HG3 GLU 15 2HG GLU 15 -14.024 10.681 -2.679 111 H GLU 16 H GLU 16 -16.628 6.824 0.062 112 HA GLU 16 HA GLU 16 -15.906 7.659 2.677 113 HB2 GLU 16 1HB GLU 16 -17.250 5.146 1.607 114 HB3 GLU 16 2HB GLU 16 -17.051 5.435 3.331 115 HG2 GLU 16 1HG GLU 16 -18.486 7.364 1.454 116 HG3 GLU 16 2HG GLU 16 -19.291 6.096 2.372 117 H ASP 17 H ASP 17 -15.065 4.497 1.181 118 HA ASP 17 HA ASP 17 -13.152 3.770 3.234 119 HB2 ASP 17 1HB ASP 17 -13.982 1.978 2.059 120 HB3 ASP 17 2HB ASP 17 -13.849 2.805 0.507 121 H VAL 18 H VAL 18 -12.837 5.437 0.049 122 HA VAL 18 HA VAL 18 -10.037 5.531 0.026 123 HB VAL 18 HB VAL 18 -11.816 7.694 -1.113 124 HG11 VAL 18 1HG1 VAL 18 -9.554 7.538 -2.704 125 HG12 VAL 18 2HG1 VAL 18 -9.824 8.726 -1.409 126 HG13 VAL 18 3HG1 VAL 18 -8.874 7.273 -1.114 127 HG21 VAL 18 3HG2 VAL 18 -11.267 6.294 -3.269 128 HG22 VAL 18 1HG2 VAL 18 -10.919 4.985 -2.122 129 HG23 VAL 18 2HG2 VAL 18 -12.522 5.732 -2.176 130 H LYS 19 H LYS 19 -12.260 7.693 1.796 131 HA LYS 19 HA LYS 19 -10.074 9.372 2.815 132 HB2 LYS 19 1HB LYS 19 -12.967 9.017 3.706 133 HB3 LYS 19 2HB LYS 19 -11.875 10.214 4.388 134 HG2 LYS 19 1HG LYS 19 -12.733 10.066 1.459 135 HG3 LYS 19 2HG LYS 19 -13.400 11.150 2.665 136 HD2 LYS 19 1HD LYS 19 -10.564 11.177 1.542 137 HD3 LYS 19 2HD LYS 19 -11.873 12.310 1.197 138 HE2 LYS 19 1HE LYS 19 -11.908 12.786 3.751 139 HE3 LYS 19 2HE LYS 19 -10.365 11.922 3.807 140 HZ1 LYS 19 3HZ LYS 19 -10.978 14.474 2.455 141 HZ2 LYS 19 1HZ LYS 19 -9.696 13.588 1.964 142 HZ3 LYS 19 2HZ LYS 19 -9.767 14.149 3.496 143 H GLN 20 H GLN 20 -11.653 6.458 4.031 144 HA GLN 20 HA GLN 20 -10.369 6.531 6.652 145 HB2 GLN 20 1HB GLN 20 -12.445 5.400 6.414 146 HB3 GLN 20 2HB GLN 20 -11.837 4.350 5.132 147 HG2 GLN 20 1HG GLN 20 -10.348 3.191 6.668 148 HG3 GLN 20 2HG GLN 20 -10.681 4.359 7.955 149 HE21 GLN 20 2HE2 GLN 20 -10.975 1.551 8.341 150 HE22 GLN 20 1HE2 GLN 20 -12.695 1.261 8.573 151 H VAL 21 H VAL 21 -9.705 4.635 3.677 152 HA VAL 21 HA VAL 21 -7.505 3.173 4.662 153 HB VAL 21 HB VAL 21 -8.775 2.634 2.650 154 HG11 VAL 21 1HG1 VAL 21 -7.125 4.652 1.105 155 HG12 VAL 21 2HG1 VAL 21 -8.563 3.704 0.620 156 HG13 VAL 21 3HG1 VAL 21 -8.716 5.047 1.744 157 HG21 VAL 21 3HG2 VAL 21 -6.422 1.743 3.054 158 HG22 VAL 21 1HG2 VAL 21 -7.023 1.702 1.381 159 HG23 VAL 21 2HG2 VAL 21 -5.868 2.949 1.873 160 H TYR 22 H TYR 22 -7.440 6.374 2.997 161 HA TYR 22 HA TYR 22 -4.625 6.715 3.030 162 HB2 TYR 22 1HB TYR 22 -7.004 8.536 2.952 163 HB3 TYR 22 2HB TYR 22 -5.472 9.246 3.414 164 HD1 TYR 22 HD2 TYR 22 -7.019 7.128 0.730 165 HD2 TYR 22 HD1 TYR 22 -3.844 9.832 1.805 166 HE1 TYR 22 HE2 TYR 22 -6.379 7.303 -1.654 167 HE2 TYR 22 HE1 TYR 22 -3.121 9.897 -0.565 168 HH TYR 22 HH TYR 22 -3.416 8.089 -2.625 169 H SER 23 H SER 23 -6.969 7.122 5.651 170 HA SER 23 HA SER 23 -5.199 8.326 7.572 171 HB2 SER 23 1HB SER 23 -7.801 8.199 7.510 172 HB3 SER 23 2HB SER 23 -7.579 6.641 8.324 173 HG SER 23 HG SER 23 -6.730 9.223 9.185 174 H ILE 24 H ILE 24 -5.756 4.969 6.607 175 HA ILE 24 HA ILE 24 -4.560 3.697 8.929 176 HB ILE 24 HB ILE 24 -4.895 2.613 6.098 177 HG12 ILE 24 1HG1 ILE 24 -6.659 2.151 8.542 178 HG13 ILE 24 2HG1 ILE 24 -7.041 3.264 7.231 179 HG21 ILE 24 1HG2 ILE 24 -3.259 1.279 7.085 180 HG22 ILE 24 2HG2 ILE 24 -3.990 1.361 8.705 181 HG23 ILE 24 3HG2 ILE 24 -4.736 0.384 7.434 182 HD11 ILE 24 3HD1 ILE 24 -8.264 1.346 6.720 183 HD12 ILE 24 1HD1 ILE 24 -6.871 1.287 5.619 184 HD13 ILE 24 2HD1 ILE 24 -6.913 0.249 7.056 185 H LEU 25 H LEU 25 -3.319 4.509 5.666 186 HA LEU 25 HA LEU 25 -0.599 3.791 6.481 187 HB2 LEU 25 1HB LEU 25 -0.099 4.753 4.153 188 HB3 LEU 25 2HB LEU 25 -0.747 3.149 4.346 189 HG LEU 25 HG LEU 25 -2.695 5.379 3.844 190 HD11 LEU 25 1HD1 LEU 25 -0.610 5.244 2.081 191 HD12 LEU 25 2HD1 LEU 25 -2.287 5.639 1.645 192 HD13 LEU 25 3HD1 LEU 25 -1.642 4.011 1.392 193 HD21 LEU 25 3HD2 LEU 25 -3.406 2.971 4.234 194 HD22 LEU 25 1HD2 LEU 25 -2.410 2.506 2.853 195 HD23 LEU 25 2HD2 LEU 25 -3.824 3.565 2.616 196 H LYS 26 H LYS 26 -2.398 6.647 6.715 197 HA LYS 26 HA LYS 26 -0.457 8.649 6.439 198 HB2 LYS 26 1HB LYS 26 -3.113 8.513 7.349 199 HB3 LYS 26 2HB LYS 26 -2.256 9.063 8.762 200 HG2 LYS 26 1HG LYS 26 -2.987 10.997 7.550 201 HG3 LYS 26 2HG LYS 26 -1.239 10.884 7.369 202 HD2 LYS 26 1HD LYS 26 -1.934 9.560 5.095 203 HD3 LYS 26 2HD LYS 26 -3.452 10.389 5.347 204 HE2 LYS 26 1HE LYS 26 -2.045 11.629 3.811 205 HE3 LYS 26 2HE LYS 26 -2.308 12.582 5.272 206 HZ1 LYS 26 3HZ LYS 26 -0.105 12.241 5.942 207 HZ2 LYS 26 1HZ LYS 26 0.090 12.385 4.327 208 HZ3 LYS 26 2HZ LYS 26 0.118 10.910 5.015 209 H GLU 27 H GLU 27 -0.630 6.337 8.985 210 HA GLU 27 HA GLU 27 1.208 7.782 10.765 211 HB2 GLU 27 1HB GLU 27 -0.625 6.352 11.608 212 HB3 GLU 27 2HB GLU 27 0.163 4.924 10.931 213 HG2 GLU 27 1HG GLU 27 1.821 4.903 12.544 214 HG3 GLU 27 2HG GLU 27 1.891 6.654 12.664 215 H LYS 28 H LYS 28 3.351 7.734 10.640 216 HA LYS 28 HA LYS 28 4.736 5.826 8.866 217 HB2 LYS 28 1HB LYS 28 5.582 8.375 10.286 218 HB3 LYS 28 2HB LYS 28 6.766 7.273 9.611 219 HG2 LYS 28 1HG LYS 28 6.396 8.967 8.012 220 HG3 LYS 28 2HG LYS 28 5.798 7.445 7.376 221 HD2 LYS 28 1HD LYS 28 4.430 9.380 6.785 222 HD3 LYS 28 2HD LYS 28 3.483 8.168 7.641 223 HE2 LYS 28 1HE LYS 28 3.455 9.490 9.655 224 HE3 LYS 28 2HE LYS 28 4.787 10.513 9.098 225 HZ1 LYS 28 3HZ LYS 28 3.261 11.377 7.375 226 HZ2 LYS 28 1HZ LYS 28 2.683 11.665 8.881 227 HZ3 LYS 28 2HZ LYS 28 2.041 10.448 7.999 228 H ASP 29 H ASP 29 3.889 5.797 12.069 229 HA ASP 29 HA ASP 29 6.290 4.556 13.159 230 HB2 ASP 29 1HB ASP 29 4.367 6.058 14.267 231 HB3 ASP 29 2HB ASP 29 3.635 4.489 14.578 232 H ILE 30 H ILE 30 4.331 3.285 11.026 233 HA ILE 30 HA ILE 30 3.676 0.677 12.168 234 HB ILE 30 HB ILE 30 2.631 0.217 10.037 235 HG12 ILE 30 1HG1 ILE 30 2.543 2.299 8.413 236 HG13 ILE 30 2HG1 ILE 30 4.078 2.721 9.142 237 HG21 ILE 30 1HG2 ILE 30 1.974 2.965 11.163 238 HG22 ILE 30 2HG2 ILE 30 0.981 2.121 9.988 239 HG23 ILE 30 3HG2 ILE 30 1.254 1.395 11.582 240 HD11 ILE 30 3HD1 ILE 30 4.024 1.269 6.978 241 HD12 ILE 30 1HD1 ILE 30 5.125 0.746 8.230 242 HD13 ILE 30 2HD1 ILE 30 3.539 -0.041 8.008 243 H SER 31 H SER 31 6.477 1.949 10.789 244 HA SER 31 HA SER 31 7.554 0.226 8.966 245 HB2 SER 31 1HB SER 31 9.802 0.840 10.031 246 HB3 SER 31 2HB SER 31 8.767 2.152 9.459 247 HG SER 31 HG SER 31 8.855 1.242 12.161 248 H VAL 32 H VAL 32 7.812 -1.911 8.857 249 HA VAL 32 HA VAL 32 7.855 -3.585 11.254 250 HB VAL 32 HB VAL 32 7.883 -4.197 8.274 251 HG11 VAL 32 1HG1 VAL 32 7.798 -6.161 10.602 252 HG12 VAL 32 2HG1 VAL 32 7.504 -6.542 8.885 253 HG13 VAL 32 3HG1 VAL 32 9.104 -6.023 9.404 254 HG21 VAL 32 3HG2 VAL 32 5.652 -4.885 8.583 255 HG22 VAL 32 1HG2 VAL 32 5.774 -4.825 10.361 256 HG23 VAL 32 2HG2 VAL 32 5.787 -3.338 9.417 257 H ASP 33 H ASP 33 9.554 -4.495 12.216 258 HA ASP 33 HA ASP 33 12.265 -3.733 11.806 259 HB2 ASP 33 1HB ASP 33 10.771 -5.780 13.428 260 HB3 ASP 33 2HB ASP 33 12.477 -6.090 13.172 261 H SER 34 H SER 34 14.068 -4.786 10.903 262 HA SER 34 HA SER 34 13.621 -6.055 8.442 263 HB2 SER 34 1HB SER 34 15.717 -4.796 9.415 264 HB3 SER 34 2HB SER 34 16.265 -6.418 9.860 265 HG SER 34 HG SER 34 16.116 -7.008 7.655 266 H THR 35 H THR 35 14.637 -7.651 11.496 267 HA THR 35 HA THR 35 14.843 -10.330 10.523 268 HB THR 35 HB THR 35 14.016 -9.308 13.270 269 HG1 THR 35 HG1 THR 35 16.165 -9.337 13.685 270 HG21 THR 35 3HG2 THR 35 13.538 -11.704 13.147 271 HG22 THR 35 1HG2 THR 35 15.008 -11.453 14.095 272 HG23 THR 35 2HG2 THR 35 15.130 -12.019 12.414 273 H THR 36 H THR 36 12.046 -8.600 11.868 274 HA THR 36 HA THR 36 10.150 -10.761 11.539 275 HB THR 36 HB THR 36 9.750 -7.783 12.024 276 HG1 THR 36 HG1 THR 36 9.634 -8.465 14.185 277 HG21 THR 36 3HG2 THR 36 7.844 -10.083 11.942 278 HG22 THR 36 1HG2 THR 36 7.600 -8.333 11.701 279 HG23 THR 36 2HG2 THR 36 7.688 -8.992 13.332 280 H TRP 37 H TRP 37 11.217 -8.128 9.463 281 HA TRP 37 HA TRP 37 9.099 -7.983 7.675 282 HB2 TRP 37 1HB TRP 37 10.862 -6.356 7.692 283 HB3 TRP 37 2HB TRP 37 12.058 -7.554 7.229 284 HD1 TRP 37 HD1 TRP 37 12.852 -6.902 4.930 285 HE1 TRP 37 HE1 TRP 37 11.758 -6.671 2.610 286 HE3 TRP 37 HE3 TRP 37 7.921 -6.946 6.346 287 HZ2 TRP 37 HZ2 TRP 37 9.094 -6.826 1.514 288 HZ3 TRP 37 HZ3 TRP 37 6.164 -7.121 4.642 289 HH2 TRP 37 HH2 TRP 37 6.707 -7.055 2.230 290 H ASN 38 H ASN 38 11.932 -10.097 7.448 291 HA ASN 38 HA ASN 38 11.414 -11.414 5.026 292 HB2 ASN 38 1HB ASN 38 12.376 -12.851 7.533 293 HB3 ASN 38 2HB ASN 38 12.763 -13.228 5.857 294 HD21 ASN 38 2HD2 ASN 38 13.824 -11.654 8.659 295 HD22 ASN 38 1HD2 ASN 38 15.054 -10.656 7.892 296 H ARG 39 H ARG 39 9.796 -11.808 8.083 297 HA ARG 39 HA ARG 39 8.139 -14.125 7.261 298 HB2 ARG 39 1HB ARG 39 7.734 -12.562 9.816 299 HB3 ARG 39 2HB ARG 39 7.431 -14.260 9.483 300 HG2 ARG 39 1HG ARG 39 10.067 -12.868 10.062 301 HG3 ARG 39 2HG ARG 39 9.249 -14.102 11.006 302 HD2 ARG 39 1HD ARG 39 9.680 -15.289 8.462 303 HD3 ARG 39 2HD ARG 39 11.152 -14.354 8.798 304 HE ARG 39 HE ARG 39 10.504 -15.841 11.128 305 HH11 ARG 39 1HH1 ARG 39 11.583 -16.514 7.872 306 HH12 ARG 39 2HH1 ARG 39 12.323 -18.025 8.323 307 HH21 ARG 39 1HH2 ARG 39 11.444 -17.778 11.649 308 HH22 ARG 39 2HH2 ARG 39 12.239 -18.718 10.420 309 H ARG 40 H ARG 40 7.691 -10.679 7.992 310 HA ARG 40 HA ARG 40 4.830 -10.553 7.596 311 HB2 ARG 40 1HB ARG 40 6.999 -8.562 7.801 312 HB3 ARG 40 2HB ARG 40 5.787 -8.117 6.628 313 HG2 ARG 40 1HG ARG 40 4.846 -7.146 8.394 314 HG3 ARG 40 2HG ARG 40 4.032 -8.699 8.514 315 HD2 ARG 40 1HD ARG 40 6.573 -8.760 9.938 316 HD3 ARG 40 2HD ARG 40 5.697 -7.301 10.385 317 HE ARG 40 HE ARG 40 4.088 -8.547 11.497 318 HH11 ARG 40 1HH1 ARG 40 6.111 -10.778 9.776 319 HH12 ARG 40 2HH1 ARG 40 5.492 -12.165 10.650 320 HH21 ARG 40 1HH2 ARG 40 3.427 -10.319 12.664 321 HH22 ARG 40 2HH2 ARG 40 4.036 -11.890 12.246 322 H TYR 41 H TYR 41 7.479 -10.515 5.296 323 HA TYR 41 HA TYR 41 6.171 -9.791 2.959 324 HB2 TYR 41 1HB TYR 41 8.651 -10.520 3.466 325 HB3 TYR 41 2HB TYR 41 8.113 -12.127 3.013 326 HD1 TYR 41 HD1 TYR 41 6.739 -12.178 0.644 327 HD2 TYR 41 HD2 TYR 41 9.626 -9.208 1.842 328 HE1 TYR 41 HE1 TYR 41 6.995 -11.460 -1.707 329 HE2 TYR 41 HE2 TYR 41 9.874 -8.499 -0.547 330 HH TYR 41 HH TYR 41 8.189 -10.233 -3.180 331 H ARG 42 H ARG 42 6.085 -12.940 4.625 332 HA ARG 42 HA ARG 42 4.643 -14.386 2.586 333 HB2 ARG 42 1HB ARG 42 6.005 -15.415 4.509 334 HB3 ARG 42 2HB ARG 42 4.655 -15.012 5.570 335 HG2 ARG 42 1HG ARG 42 4.226 -17.242 4.958 336 HG3 ARG 42 2HG ARG 42 3.154 -16.319 3.924 337 HD2 ARG 42 1HD ARG 42 4.010 -17.536 2.235 338 HD3 ARG 42 2HD ARG 42 5.405 -16.451 2.324 339 HE ARG 42 HE ARG 42 5.821 -18.521 4.214 340 HH11 ARG 42 1HH1 ARG 42 5.666 -18.272 0.734 341 HH12 ARG 42 2HH1 ARG 42 6.591 -19.730 0.492 342 HH21 ARG 42 1HH2 ARG 42 6.973 -20.371 3.858 343 HH22 ARG 42 2HH2 ARG 42 7.315 -20.882 2.233 344 H GLU 43 H GLU 43 3.399 -13.139 5.712 345 HA GLU 43 HA GLU 43 0.649 -13.618 5.120 346 HB2 GLU 43 1HB GLU 43 0.136 -11.895 6.852 347 HB3 GLU 43 2HB GLU 43 1.207 -13.197 7.365 348 HG2 GLU 43 1HG GLU 43 3.157 -11.699 7.070 349 HG3 GLU 43 2HG GLU 43 2.069 -10.365 6.659 350 H TYR 44 H TYR 44 2.560 -10.628 4.532 351 HA TYR 44 HA TYR 44 0.453 -9.186 3.266 352 HB2 TYR 44 1HB TYR 44 3.462 -9.014 3.051 353 HB3 TYR 44 2HB TYR 44 2.373 -7.865 2.329 354 HD1 TYR 44 HD1 TYR 44 0.617 -8.513 5.265 355 HD2 TYR 44 HD2 TYR 44 4.274 -6.737 3.885 356 HE1 TYR 44 HE1 TYR 44 0.780 -7.238 7.385 357 HE2 TYR 44 HE2 TYR 44 4.503 -5.509 6.101 358 HH TYR 44 HH TYR 44 2.624 -4.616 7.827 359 H MET 45 H MET 45 2.827 -11.454 1.788 360 HA MET 45 HA MET 45 2.109 -11.052 -0.906 361 HB2 MET 45 1HB MET 45 3.335 -13.292 0.657 362 HB3 MET 45 2HB MET 45 2.524 -13.774 -0.819 363 HG2 MET 45 1HG MET 45 3.806 -12.116 -2.092 364 HG3 MET 45 2HG MET 45 4.704 -11.694 -0.636 365 HE1 MET 45 3HE MET 45 6.836 -13.849 -3.353 366 HE2 MET 45 1HE MET 45 5.132 -13.927 -3.856 367 HE3 MET 45 2HE MET 45 5.829 -12.385 -3.324 368 H GLU 46 H GLU 46 0.410 -12.899 1.605 369 HA GLU 46 HA GLU 46 -1.543 -14.083 -0.226 370 HB2 GLU 46 1HB GLU 46 -1.783 -13.751 2.777 371 HB3 GLU 46 2HB GLU 46 -2.707 -14.822 1.699 372 HG2 GLU 46 1HG GLU 46 -0.743 -16.126 1.185 373 HG3 GLU 46 2HG GLU 46 0.303 -14.995 2.015 374 H LYS 47 H LYS 47 -1.460 -11.231 1.899 375 HA LYS 47 HA LYS 47 -4.134 -10.394 1.521 376 HB2 LYS 47 1HB LYS 47 -1.591 -8.967 2.270 377 HB3 LYS 47 2HB LYS 47 -2.907 -7.979 1.661 378 HG2 LYS 47 1HG LYS 47 -2.980 -7.900 3.952 379 HG3 LYS 47 2HG LYS 47 -4.413 -8.799 3.426 380 HD2 LYS 47 1HD LYS 47 -3.621 -10.803 4.365 381 HD3 LYS 47 2HD LYS 47 -1.929 -10.294 4.256 382 HE2 LYS 47 1HE LYS 47 -1.882 -9.440 6.285 383 HE3 LYS 47 2HE LYS 47 -3.266 -8.406 5.945 384 HZ1 LYS 47 3HZ LYS 47 -3.581 -11.241 6.744 385 HZ2 LYS 47 1HZ LYS 47 -4.753 -10.082 6.611 386 HZ3 LYS 47 2HZ LYS 47 -3.633 -9.995 7.801 387 H ILE 48 H ILE 48 -1.603 -10.393 -0.827 388 HA ILE 48 HA ILE 48 -2.691 -8.358 -2.565 389 HB ILE 48 HB ILE 48 -0.935 -10.604 -3.549 390 HG12 ILE 48 1HG1 ILE 48 0.204 -9.985 -1.552 391 HG13 ILE 48 2HG1 ILE 48 1.028 -9.197 -2.884 392 HG21 ILE 48 1HG2 ILE 48 -1.278 -7.655 -4.253 393 HG22 ILE 48 2HG2 ILE 48 0.043 -8.660 -4.858 394 HG23 ILE 48 3HG2 ILE 48 -1.625 -9.058 -5.280 395 HD11 ILE 48 3HD1 ILE 48 0.921 -7.533 -1.274 396 HD12 ILE 48 1HD1 ILE 48 -0.446 -7.089 -2.292 397 HD13 ILE 48 2HD1 ILE 48 -0.740 -7.924 -0.764 398 H LYS 49 H LYS 49 -3.600 -11.553 -1.956 399 HA LYS 49 HA LYS 49 -5.323 -11.798 -4.416 400 HB2 LYS 49 1HB LYS 49 -4.130 -13.986 -2.676 401 HB3 LYS 49 2HB LYS 49 -5.011 -14.208 -4.185 402 HG2 LYS 49 1HG LYS 49 -3.230 -13.284 -5.497 403 HG3 LYS 49 2HG LYS 49 -2.348 -12.697 -4.083 404 HD2 LYS 49 1HD LYS 49 -2.926 -15.636 -4.562 405 HD3 LYS 49 2HD LYS 49 -1.458 -14.834 -5.112 406 HE2 LYS 49 1HE LYS 49 -2.103 -14.373 -2.221 407 HE3 LYS 49 2HE LYS 49 -1.822 -16.059 -2.637 408 HZ1 LYS 49 3HZ LYS 49 0.270 -15.120 -2.094 409 HZ2 LYS 49 1HZ LYS 49 0.055 -13.802 -3.019 410 HZ3 LYS 49 2HZ LYS 49 0.306 -15.278 -3.717 411 H THR 50 H THR 50 -5.130 -12.246 -0.938 412 HA THR 50 HA THR 50 -8.064 -12.915 -0.783 413 HB THR 50 HB THR 50 -7.699 -14.102 1.178 414 HG1 THR 50 HG1 THR 50 -5.789 -14.037 2.349 415 HG21 THR 50 3HG2 THR 50 -5.066 -14.642 -0.233 416 HG22 THR 50 1HG2 THR 50 -6.633 -15.208 -0.875 417 HG23 THR 50 2HG2 THR 50 -6.058 -15.773 0.709 418 H GLY 51 H GLY 51 -5.643 -10.669 0.206 419 HA2 GLY 51 1HA GLY 51 -6.964 -9.479 2.438 420 HA3 GLY 51 2HA GLY 51 -5.635 -8.763 1.530 421 H SER 52 H SER 52 -8.125 -7.719 2.622 422 HA SER 52 HA SER 52 -9.758 -6.826 0.391 423 HB2 SER 52 1HB SER 52 -11.126 -6.155 1.999 424 HB3 SER 52 2HB SER 52 -10.120 -7.153 3.053 425 HG SER 52 HG SER 52 -9.302 -5.409 3.973 426 H VAL 53 H VAL 53 -10.228 -4.391 0.241 427 HA VAL 53 HA VAL 53 -8.114 -2.884 -0.798 428 HB VAL 53 HB VAL 53 -10.270 -2.210 -1.362 429 HG11 VAL 53 1HG1 VAL 53 -10.922 -1.744 1.566 430 HG12 VAL 53 2HG1 VAL 53 -11.988 -1.429 0.189 431 HG13 VAL 53 3HG1 VAL 53 -11.539 -3.087 0.578 432 HG21 VAL 53 3HG2 VAL 53 -10.302 0.114 -1.002 433 HG22 VAL 53 1HG2 VAL 53 -9.578 -0.014 0.610 434 HG23 VAL 53 2HG2 VAL 53 -8.589 -0.312 -0.801 435 H PHE 54 H PHE 54 -9.410 -2.708 2.524 436 HA PHE 54 HA PHE 54 -7.599 -0.676 3.457 437 HB2 PHE 54 1HB PHE 54 -9.174 -2.836 4.916 438 HB3 PHE 54 2HB PHE 54 -8.295 -1.550 5.716 439 HD1 PHE 54 HD1 PHE 54 -8.908 0.949 4.544 440 HD2 PHE 54 HD2 PHE 54 -11.513 -2.480 4.791 441 HE1 PHE 54 HE1 PHE 54 -10.863 2.423 4.412 442 HE2 PHE 54 HE2 PHE 54 -13.484 -0.952 4.737 443 HZ PHE 54 HZ PHE 54 -13.162 1.482 4.580 444 H GLU 55 H GLU 55 -7.219 -4.100 2.979 445 HA GLU 55 HA GLU 55 -4.758 -4.295 4.607 446 HB2 GLU 55 1HB GLU 55 -6.033 -6.384 2.805 447 HB3 GLU 55 2HB GLU 55 -4.692 -6.583 3.927 448 HG2 GLU 55 1HG GLU 55 -6.159 -5.987 5.835 449 HG3 GLU 55 2HG GLU 55 -7.525 -5.851 4.726 450 H ILE 56 H ILE 56 -5.556 -4.432 1.059 451 HA ILE 56 HA ILE 56 -2.948 -4.684 0.045 452 HB ILE 56 HB ILE 56 -5.352 -3.158 -0.996 453 HG12 ILE 56 1HG1 ILE 56 -5.457 -5.636 -0.878 454 HG13 ILE 56 2HG1 ILE 56 -5.653 -4.962 -2.494 455 HG21 ILE 56 1HG2 ILE 56 -3.558 -1.967 -2.045 456 HG22 ILE 56 2HG2 ILE 56 -2.654 -3.455 -2.379 457 HG23 ILE 56 3HG2 ILE 56 -4.181 -3.097 -3.224 458 HD11 ILE 56 3HD1 ILE 56 -3.267 -5.572 -2.988 459 HD12 ILE 56 1HD1 ILE 56 -3.167 -6.316 -1.376 460 HD13 ILE 56 2HD1 ILE 56 -4.308 -6.947 -2.586 461 H ALA 57 H ALA 57 -4.674 -1.656 0.858 462 HA ALA 57 HA ALA 57 -2.476 0.050 0.286 463 HB1 ALA 57 3HB ALA 57 -4.224 0.899 2.522 464 HB2 ALA 57 1HB ALA 57 -3.862 1.692 0.968 465 HB3 ALA 57 2HB ALA 57 -5.082 0.413 1.041 466 H GLU 58 H GLU 58 -3.147 -1.803 3.277 467 HA GLU 58 HA GLU 58 -1.013 -0.595 4.840 468 HB2 GLU 58 1HB GLU 58 -2.761 -3.051 5.115 469 HB3 GLU 58 2HB GLU 58 -1.250 -2.997 6.000 470 HG2 GLU 58 1HG GLU 58 -2.063 -0.631 6.753 471 HG3 GLU 58 2HG GLU 58 -3.649 -1.211 6.270 472 H VAL 59 H VAL 59 -1.239 -3.491 2.765 473 HA VAL 59 HA VAL 59 1.301 -4.602 3.322 474 HB VAL 59 HB VAL 59 -0.310 -4.674 0.736 475 HG11 VAL 59 1HG1 VAL 59 1.722 -5.381 -0.096 476 HG12 VAL 59 2HG1 VAL 59 2.347 -5.837 1.502 477 HG13 VAL 59 3HG1 VAL 59 1.223 -6.901 0.679 478 HG21 VAL 59 3HG2 VAL 59 0.054 -6.898 2.760 479 HG22 VAL 59 1HG2 VAL 59 -1.284 -5.760 2.868 480 HG23 VAL 59 2HG2 VAL 59 -1.103 -6.739 1.410 481 H LEU 60 H LEU 60 0.519 -2.616 0.429 482 HA LEU 60 HA LEU 60 3.216 -2.325 -0.389 483 HB2 LEU 60 1HB LEU 60 2.273 -1.506 -2.137 484 HB3 LEU 60 2HB LEU 60 0.707 -1.554 -1.388 485 HG LEU 60 HG LEU 60 2.553 0.878 -1.146 486 HD11 LEU 60 1HD1 LEU 60 0.347 0.493 -3.148 487 HD12 LEU 60 2HD1 LEU 60 2.051 0.191 -3.489 488 HD13 LEU 60 3HD1 LEU 60 1.555 1.811 -3.022 489 HD21 LEU 60 3HD2 LEU 60 0.163 1.950 -0.960 490 HD22 LEU 60 1HD2 LEU 60 0.795 1.161 0.446 491 HD23 LEU 60 2HD2 LEU 60 -0.368 0.299 -0.556 492 H ARG 61 H ARG 61 1.382 -0.451 1.905 493 HA ARG 61 HA ARG 61 3.140 1.770 2.291 494 HB2 ARG 61 1HB ARG 61 0.870 1.838 3.100 495 HB3 ARG 61 2HB ARG 61 1.067 0.365 3.987 496 HG2 ARG 61 1HG ARG 61 2.910 1.818 5.312 497 HG3 ARG 61 2HG ARG 61 1.892 3.120 4.772 498 HD2 ARG 61 1HD ARG 61 1.064 2.500 6.869 499 HD3 ARG 61 2HD ARG 61 -0.079 1.800 5.707 500 HE ARG 61 HE ARG 61 1.714 -0.263 6.218 501 HH11 ARG 61 1HH1 ARG 61 -0.604 1.601 8.142 502 HH12 ARG 61 2HH1 ARG 61 -0.953 0.184 9.102 503 HH21 ARG 61 1HH2 ARG 61 1.258 -1.911 7.602 504 HH22 ARG 61 2HH2 ARG 61 -0.130 -1.692 8.677 505 H ASP 62 H ASP 62 2.901 -1.295 4.145 506 HA ASP 62 HA ASP 62 5.163 -0.860 5.815 507 HB2 ASP 62 1HB ASP 62 3.910 -3.402 4.722 508 HB3 ASP 62 2HB ASP 62 5.339 -3.414 5.753 509 H LEU 63 H LEU 63 5.074 -2.508 2.627 510 HA LEU 63 HA LEU 63 7.856 -2.941 2.298 511 HB2 LEU 63 1HB LEU 63 5.649 -2.393 0.295 512 HB3 LEU 63 2HB LEU 63 7.281 -2.774 -0.202 513 HG LEU 63 HG LEU 63 6.264 -4.699 1.793 514 HD11 LEU 63 1HD1 LEU 63 4.953 -4.893 -0.936 515 HD12 LEU 63 2HD1 LEU 63 4.155 -4.116 0.431 516 HD13 LEU 63 3HD1 LEU 63 4.634 -5.795 0.569 517 HD21 LEU 63 3HD2 LEU 63 7.289 -4.997 -1.057 518 HD22 LEU 63 1HD2 LEU 63 7.091 -6.316 0.099 519 HD23 LEU 63 2HD2 LEU 63 8.286 -5.036 0.409 520 H TYR 64 H TYR 64 6.019 0.047 1.441 521 HA TYR 64 HA TYR 64 8.266 1.488 0.418 522 HB2 TYR 64 1HB TYR 64 5.508 2.125 1.252 523 HB3 TYR 64 2HB TYR 64 6.644 3.434 1.498 524 HD1 TYR 64 HD1 TYR 64 8.120 4.211 -0.437 525 HD2 TYR 64 HD2 TYR 64 4.752 1.589 -0.935 526 HE1 TYR 64 HE1 TYR 64 7.980 4.848 -2.847 527 HE2 TYR 64 HE2 TYR 64 4.660 2.150 -3.349 528 HH TYR 64 HH TYR 64 6.746 4.675 -4.769 529 H LEU 65 H LEU 65 6.905 1.490 3.744 530 HA LEU 65 HA LEU 65 8.977 3.275 4.746 531 HB2 LEU 65 1HB LEU 65 6.971 1.491 6.176 532 HB3 LEU 65 2HB LEU 65 8.169 2.470 6.994 533 HG LEU 65 HG LEU 65 7.151 4.454 5.440 534 HD11 LEU 65 1HD1 LEU 65 5.405 3.495 4.278 535 HD12 LEU 65 2HD1 LEU 65 4.554 4.069 5.730 536 HD13 LEU 65 3HD1 LEU 65 5.028 2.375 5.576 537 HD21 LEU 65 3HD2 LEU 65 5.914 3.429 8.015 538 HD22 LEU 65 1HD2 LEU 65 5.843 5.082 7.340 539 HD23 LEU 65 2HD2 LEU 65 7.382 4.425 7.891 540 H LEU 66 H LEU 66 8.948 -0.219 4.283 541 HA LEU 66 HA LEU 66 10.870 -0.999 6.098 542 HB2 LEU 66 1HB LEU 66 9.793 -1.992 3.544 543 HB3 LEU 66 2HB LEU 66 11.488 -2.369 3.668 544 HG LEU 66 HG LEU 66 10.309 -4.194 4.418 545 HD11 LEU 66 1HD1 LEU 66 11.085 -4.531 6.672 546 HD12 LEU 66 2HD1 LEU 66 11.197 -2.820 6.981 547 HD13 LEU 66 3HD1 LEU 66 12.289 -3.584 5.794 548 HD21 LEU 66 3HD2 LEU 66 8.674 -2.459 6.256 549 HD22 LEU 66 1HD2 LEU 66 8.694 -4.246 6.246 550 HD23 LEU 66 2HD2 LEU 66 8.146 -3.385 4.823 551 H LYS 67 H LYS 67 11.485 0.351 2.894 552 HA LYS 67 HA LYS 67 14.398 0.606 3.408 553 HB2 LYS 67 1HB LYS 67 12.909 0.175 1.123 554 HB3 LYS 67 2HB LYS 67 13.215 1.901 0.992 555 HG2 LYS 67 1HG LYS 67 15.362 -0.247 1.404 556 HG3 LYS 67 2HG LYS 67 14.852 0.388 -0.160 557 HD2 LYS 67 1HD LYS 67 15.487 2.708 0.674 558 HD3 LYS 67 2HD LYS 67 16.275 1.927 2.050 559 HE2 LYS 67 1HE LYS 67 16.935 0.916 -0.714 560 HE3 LYS 67 2HE LYS 67 17.497 2.531 -0.298 561 HZ1 LYS 67 3HZ LYS 67 19.199 1.538 0.713 562 HZ2 LYS 67 1HZ LYS 67 18.561 0.044 0.577 563 HZ3 LYS 67 2HZ LYS 67 18.197 0.980 1.869 564 H GLY 68 H GLY 68 11.537 2.600 3.552 565 HA2 GLY 68 1HA GLY 68 11.203 4.682 4.537 566 HA3 GLY 68 2HA GLY 68 12.914 4.750 4.961 567 H ASP 69 H ASP 69 12.161 4.167 1.622 568 HA ASP 69 HA ASP 69 12.406 6.969 0.781 569 HB2 ASP 69 1HB ASP 69 14.750 5.448 1.090 570 HB3 ASP 69 2HB ASP 69 14.362 5.224 -0.608 571 H LYS 70 H LYS 70 12.261 7.129 -1.631 572 HA LYS 70 HA LYS 70 10.053 5.541 -2.676 573 HB2 LYS 70 1HB LYS 70 10.292 6.906 -4.691 574 HB3 LYS 70 2HB LYS 70 10.349 7.910 -3.255 575 HG2 LYS 70 1HG LYS 70 13.039 7.425 -3.599 576 HG3 LYS 70 2HG LYS 70 12.496 7.309 -5.266 577 HD2 LYS 70 1HD LYS 70 11.987 9.654 -3.376 578 HD3 LYS 70 2HD LYS 70 13.321 9.547 -4.521 579 HE2 LYS 70 1HE LYS 70 11.088 9.036 -6.133 580 HE3 LYS 70 2HE LYS 70 10.470 10.217 -4.968 581 HZ1 LYS 70 3HZ LYS 70 12.419 11.614 -5.522 582 HZ2 LYS 70 1HZ LYS 70 11.448 11.384 -6.820 583 HZ3 LYS 70 2HZ LYS 70 12.854 10.561 -6.704 584 H ASP 71 H ASP 71 13.492 5.342 -3.009 585 HA ASP 71 HA ASP 71 13.414 3.366 -5.195 586 HB2 ASP 71 1HB ASP 71 15.140 5.121 -5.150 587 HB3 ASP 71 2HB ASP 71 15.748 4.500 -3.614 588 H LEU 72 H LEU 72 12.159 1.811 -4.110 589 HA LEU 72 HA LEU 72 13.126 0.359 -1.790 590 HB2 LEU 72 1HB LEU 72 10.767 0.381 -3.526 591 HB3 LEU 72 2HB LEU 72 11.371 -1.265 -3.372 592 HG LEU 72 HG LEU 72 11.337 -1.077 -0.918 593 HD11 LEU 72 1HD1 LEU 72 11.625 1.446 -0.747 594 HD12 LEU 72 2HD1 LEU 72 10.310 0.810 0.215 595 HD13 LEU 72 3HD1 LEU 72 9.975 1.633 -1.329 596 HD21 LEU 72 3HD2 LEU 72 9.284 -1.680 -2.488 597 HD22 LEU 72 1HD2 LEU 72 8.620 -0.158 -1.848 598 HD23 LEU 72 2HD2 LEU 72 9.065 -1.485 -0.761 599 H SER 73 H SER 73 13.864 -1.790 -1.673 600 HA SER 73 HA SER 73 15.979 -2.457 -3.565 601 HB2 SER 73 1HB SER 73 14.745 -3.771 -1.140 602 HB3 SER 73 2HB SER 73 15.772 -4.729 -2.215 603 HG SER 73 HG SER 73 17.036 -3.781 -0.609 604 H PHE 74 H PHE 74 16.063 -4.255 -4.983 605 HA PHE 74 HA PHE 74 13.853 -4.772 -6.622 606 HB2 PHE 74 1HB PHE 74 16.136 -5.216 -7.308 607 HB3 PHE 74 2HB PHE 74 16.322 -6.451 -6.067 608 HD1 PHE 74 HD2 PHE 74 13.969 -5.667 -8.933 609 HD2 PHE 74 HD1 PHE 74 16.201 -8.678 -6.792 610 HE1 PHE 74 HE2 PHE 74 13.194 -7.392 -10.541 611 HE2 PHE 74 HE1 PHE 74 15.436 -10.392 -8.411 612 HZ PHE 74 HZ PHE 74 13.942 -9.751 -10.295 613 H GLY 75 H GLY 75 14.883 -6.622 -3.754 614 HA2 GLY 75 1HA GLY 75 13.018 -8.757 -3.922 615 HA3 GLY 75 2HA GLY 75 13.738 -8.150 -2.423 616 H GLU 76 H GLU 76 12.634 -5.664 -2.032 617 HA GLU 76 HA GLU 76 9.864 -6.200 -1.390 618 HB2 GLU 76 1HB GLU 76 11.441 -3.587 -1.458 619 HB3 GLU 76 2HB GLU 76 9.775 -3.730 -0.929 620 HG2 GLU 76 1HG GLU 76 10.654 -3.993 1.124 621 HG3 GLU 76 2HG GLU 76 10.813 -5.671 0.632 622 H ARG 77 H ARG 77 11.363 -4.449 -4.095 623 HA ARG 77 HA ARG 77 9.053 -3.324 -5.241 624 HB2 ARG 77 1HB ARG 77 11.580 -3.052 -5.865 625 HB3 ARG 77 2HB ARG 77 11.312 -4.437 -6.915 626 HG2 ARG 77 1HG ARG 77 11.061 -2.548 -8.288 627 HG3 ARG 77 2HG ARG 77 9.394 -3.049 -7.988 628 HD2 ARG 77 1HD ARG 77 9.065 -1.269 -6.393 629 HD3 ARG 77 2HD ARG 77 10.804 -0.930 -6.311 630 HE ARG 77 HE ARG 77 10.078 -0.549 -8.992 631 HH11 ARG 77 1HH1 ARG 77 9.262 1.018 -5.979 632 HH12 ARG 77 2HH1 ARG 77 9.295 2.606 -6.690 633 HH21 ARG 77 1HH2 ARG 77 9.962 1.465 -9.873 634 HH22 ARG 77 2HH2 ARG 77 9.563 2.831 -8.883 635 H LYS 78 H LYS 78 10.151 -6.658 -5.503 636 HA LYS 78 HA LYS 78 8.516 -7.636 -7.607 637 HB2 LYS 78 1HB LYS 78 9.424 -8.924 -5.019 638 HB3 LYS 78 2HB LYS 78 8.540 -9.819 -6.226 639 HG2 LYS 78 1HG LYS 78 11.094 -8.368 -7.000 640 HG3 LYS 78 2HG LYS 78 11.149 -9.892 -6.120 641 HD2 LYS 78 1HD LYS 78 9.439 -10.621 -8.108 642 HD3 LYS 78 2HD LYS 78 10.333 -9.338 -8.951 643 HE2 LYS 78 1HE LYS 78 12.475 -10.462 -8.309 644 HE3 LYS 78 2HE LYS 78 11.557 -11.704 -7.453 645 HZ1 LYS 78 3HZ LYS 78 12.145 -12.499 -9.642 646 HZ2 LYS 78 1HZ LYS 78 11.451 -11.218 -10.381 647 HZ3 LYS 78 2HZ LYS 78 10.527 -12.312 -9.593 648 H MET 79 H MET 79 7.619 -7.684 -4.127 649 HA MET 79 HA MET 79 4.840 -8.404 -4.776 650 HB2 MET 79 1HB MET 79 6.078 -9.122 -2.676 651 HB3 MET 79 2HB MET 79 5.898 -7.460 -2.095 652 HG2 MET 79 1HG MET 79 3.308 -8.171 -2.879 653 HG3 MET 79 2HG MET 79 3.959 -9.699 -2.313 654 HE1 MET 79 3HE MET 79 5.020 -9.903 0.331 655 HE2 MET 79 1HE MET 79 6.011 -8.470 -0.014 656 HE3 MET 79 2HE MET 79 4.987 -8.513 1.432 657 H LEU 80 H LEU 80 6.557 -5.444 -3.743 658 HA LEU 80 HA LEU 80 4.340 -3.742 -3.358 659 HB2 LEU 80 1HB LEU 80 6.690 -3.158 -2.780 660 HB3 LEU 80 2HB LEU 80 7.075 -3.102 -4.497 661 HG LEU 80 HG LEU 80 4.926 -1.372 -4.382 662 HD11 LEU 80 1HD1 LEU 80 5.041 -1.655 -1.839 663 HD12 LEU 80 2HD1 LEU 80 4.862 -0.061 -2.554 664 HD13 LEU 80 3HD1 LEU 80 6.447 -0.575 -1.942 665 HD21 LEU 80 3HD2 LEU 80 6.591 0.459 -4.489 666 HD22 LEU 80 1HD2 LEU 80 6.864 -0.877 -5.622 667 HD23 LEU 80 2HD2 LEU 80 7.861 -0.740 -4.154 668 H ASP 81 H ASP 81 6.132 -4.338 -6.459 669 HA ASP 81 HA ASP 81 4.672 -2.666 -8.157 670 HB2 ASP 81 1HB ASP 81 6.692 -3.836 -8.809 671 HB3 ASP 81 2HB ASP 81 5.894 -5.404 -8.649 672 H THR 82 H THR 82 3.742 -5.916 -7.005 673 HA THR 82 HA THR 82 1.325 -6.091 -8.578 674 HB THR 82 HB THR 82 1.655 -7.554 -5.962 675 HG1 THR 82 HG1 THR 82 2.902 -9.098 -7.066 676 HG21 THR 82 3HG2 THR 82 0.812 -8.588 -8.702 677 HG22 THR 82 1HG2 THR 82 -0.345 -7.808 -7.603 678 HG23 THR 82 2HG2 THR 82 0.483 -9.299 -7.111 679 H ALA 83 H ALA 83 1.910 -5.355 -5.088 680 HA ALA 83 HA ALA 83 -0.784 -4.719 -4.419 681 HB1 ALA 83 3HB ALA 83 0.950 -5.252 -2.763 682 HB2 ALA 83 1HB ALA 83 1.790 -3.733 -3.136 683 HB3 ALA 83 2HB ALA 83 0.160 -3.710 -2.409 684 H ARG 84 H ARG 84 1.732 -2.645 -5.787 685 HA ARG 84 HA ARG 84 0.478 -0.071 -5.613 686 HB2 ARG 84 1HB ARG 84 2.387 -1.315 -7.636 687 HB3 ARG 84 2HB ARG 84 1.860 0.348 -7.778 688 HG2 ARG 84 1HG ARG 84 3.068 -0.583 -5.183 689 HG3 ARG 84 2HG ARG 84 4.121 -0.345 -6.559 690 HD2 ARG 84 1HD ARG 84 2.376 1.981 -6.328 691 HD3 ARG 84 2HD ARG 84 3.062 1.625 -4.759 692 HE ARG 84 HE ARG 84 5.084 2.430 -5.470 693 HH11 ARG 84 1HH1 ARG 84 3.329 1.677 -8.394 694 HH12 ARG 84 2HH1 ARG 84 4.655 2.162 -9.412 695 HH21 ARG 84 1HH2 ARG 84 6.680 3.007 -6.750 696 HH22 ARG 84 2HH2 ARG 84 6.537 2.901 -8.492 697 H SER 85 H SER 85 0.340 -2.482 -8.235 698 HA SER 85 HA SER 85 -1.457 -1.040 -9.902 699 HB2 SER 85 1HB SER 85 -0.010 -3.219 -10.328 700 HB3 SER 85 2HB SER 85 -1.513 -4.048 -9.886 701 HG SER 85 HG SER 85 -2.540 -2.625 -11.509 702 H LEU 86 H LEU 86 -2.089 -2.860 -7.025 703 HA LEU 86 HA LEU 86 -5.023 -2.903 -7.427 704 HB2 LEU 86 1HB LEU 86 -3.209 -3.954 -5.220 705 HB3 LEU 86 2HB LEU 86 -4.955 -4.151 -5.222 706 HG LEU 86 HG LEU 86 -3.370 -5.180 -7.604 707 HD11 LEU 86 1HD1 LEU 86 -3.006 -7.301 -6.512 708 HD12 LEU 86 2HD1 LEU 86 -3.725 -6.702 -5.005 709 HD13 LEU 86 3HD1 LEU 86 -2.195 -6.019 -5.610 710 HD21 LEU 86 3HD2 LEU 86 -5.146 -6.922 -7.552 711 HD22 LEU 86 1HD2 LEU 86 -5.813 -5.291 -7.723 712 HD23 LEU 86 2HD2 LEU 86 -5.880 -6.114 -6.154 713 H LEU 87 H LEU 87 -2.610 -1.267 -5.383 714 HA LEU 87 HA LEU 87 -4.202 0.148 -3.594 715 HB2 LEU 87 1HB LEU 87 -1.760 0.203 -3.569 716 HB3 LEU 87 2HB LEU 87 -1.724 1.060 -5.118 717 HG LEU 87 HG LEU 87 -3.072 2.947 -3.971 718 HD11 LEU 87 1HD1 LEU 87 -3.730 1.867 -1.912 719 HD12 LEU 87 2HD1 LEU 87 -2.524 3.103 -1.494 720 HD13 LEU 87 3HD1 LEU 87 -2.066 1.390 -1.567 721 HD21 LEU 87 3HD2 LEU 87 -1.232 4.130 -3.633 722 HD22 LEU 87 1HD2 LEU 87 -0.552 2.840 -4.623 723 HD23 LEU 87 2HD2 LEU 87 -0.357 2.818 -2.859 724 H ILE 88 H ILE 88 -3.152 1.317 -6.822 725 HA ILE 88 HA ILE 88 -4.927 3.560 -6.636 726 HB ILE 88 HB ILE 88 -4.278 4.296 -8.685 727 HG12 ILE 88 1HG1 ILE 88 -4.793 2.378 -10.105 728 HG13 ILE 88 2HG1 ILE 88 -3.219 3.084 -10.469 729 HG21 ILE 88 1HG2 ILE 88 -1.946 4.336 -8.665 730 HG22 ILE 88 2HG2 ILE 88 -2.451 4.183 -6.979 731 HG23 ILE 88 3HG2 ILE 88 -1.812 2.774 -7.809 732 HD11 ILE 88 3HD1 ILE 88 -3.284 0.603 -10.549 733 HD12 ILE 88 1HD1 ILE 88 -2.079 1.241 -9.423 734 HD13 ILE 88 2HD1 ILE 88 -3.622 0.586 -8.807 735 H LYS 89 H LYS 89 -5.532 0.363 -7.503 736 HA LYS 89 HA LYS 89 -7.613 0.637 -9.474 737 HB2 LYS 89 1HB LYS 89 -6.174 -1.387 -8.847 738 HB3 LYS 89 2HB LYS 89 -7.295 -1.657 -7.511 739 HG2 LYS 89 1HG LYS 89 -9.145 -1.955 -9.052 740 HG3 LYS 89 2HG LYS 89 -8.089 -1.633 -10.446 741 HD2 LYS 89 1HD LYS 89 -7.468 -3.797 -8.398 742 HD3 LYS 89 2HD LYS 89 -8.538 -4.128 -9.746 743 HE2 LYS 89 1HE LYS 89 -5.839 -2.912 -10.355 744 HE3 LYS 89 2HE LYS 89 -5.877 -4.582 -9.791 745 HZ1 LYS 89 3HZ LYS 89 -7.272 -3.543 -12.190 746 HZ2 LYS 89 1HZ LYS 89 -7.505 -5.046 -11.591 747 HZ3 LYS 89 2HZ LYS 89 -6.038 -4.615 -12.154 748 H GLU 90 H GLU 90 -7.806 0.075 -5.986 749 HA GLU 90 HA GLU 90 -10.717 0.414 -5.822 750 HB2 GLU 90 1HB GLU 90 -10.313 0.347 -3.377 751 HB3 GLU 90 2HB GLU 90 -9.689 -1.030 -4.263 752 HG2 GLU 90 1HG GLU 90 -7.523 0.802 -4.156 753 HG3 GLU 90 2HG GLU 90 -8.292 0.995 -2.616 754 H LEU 91 H LEU 91 -7.898 2.423 -4.922 755 HA LEU 91 HA LEU 91 -9.423 4.681 -4.069 756 HB2 LEU 91 1HB LEU 91 -6.527 4.317 -4.949 757 HB3 LEU 91 2HB LEU 91 -7.151 5.818 -4.235 758 HG LEU 91 HG LEU 91 -7.015 3.088 -2.881 759 HD11 LEU 91 1HD1 LEU 91 -5.373 5.619 -2.579 760 HD12 LEU 91 2HD1 LEU 91 -4.825 3.992 -2.994 761 HD13 LEU 91 3HD1 LEU 91 -5.403 4.323 -1.363 762 HD21 LEU 91 3HD2 LEU 91 -8.590 3.859 -1.529 763 HD22 LEU 91 1HD2 LEU 91 -8.609 5.434 -2.310 764 HD23 LEU 91 2HD2 LEU 91 -7.478 5.165 -1.013 765 H SER 92 H SER 92 -8.649 3.662 -7.210 766 HA SER 92 HA SER 92 -8.601 5.853 -8.826 767 HB2 SER 92 1HB SER 92 -8.411 3.715 -9.841 768 HB3 SER 92 2HB SER 92 -10.001 3.213 -9.242 769 HG SER 92 HG SER 92 -10.447 3.744 -11.257 770 H LEU 93 H LEU 93 -11.409 4.679 -7.152 771 HA LEU 93 HA LEU 93 -13.426 6.105 -8.467 772 HB2 LEU 93 1HB LEU 93 -13.441 4.222 -6.602 773 HB3 LEU 93 2HB LEU 93 -13.467 5.562 -5.474 774 HG LEU 93 HG LEU 93 -15.668 4.677 -5.879 775 HD11 LEU 93 1HD1 LEU 93 -15.426 7.129 -5.465 776 HD12 LEU 93 2HD1 LEU 93 -16.914 6.661 -6.314 777 HD13 LEU 93 3HD1 LEU 93 -15.579 7.392 -7.217 778 HD21 LEU 93 3HD2 LEU 93 -15.845 5.603 -8.719 779 HD22 LEU 93 1HD2 LEU 93 -16.675 4.276 -7.875 780 HD23 LEU 93 2HD2 LEU 93 -14.997 4.079 -8.396 781 H ALA 94 H ALA 94 -11.954 7.103 -5.364 782 HA ALA 94 HA ALA 94 -13.081 9.773 -5.521 783 HB1 ALA 94 3HB ALA 94 -10.745 8.927 -3.813 784 HB2 ALA 94 1HB ALA 94 -11.925 10.192 -3.482 785 HB3 ALA 94 2HB ALA 94 -12.429 8.491 -3.410 786 H LYS 95 H LYS 95 -10.130 8.354 -6.706 787 HA LYS 95 HA LYS 95 -8.428 10.584 -7.072 788 HB2 LYS 95 1HB LYS 95 -7.283 8.792 -7.594 789 HB3 LYS 95 2HB LYS 95 -8.677 7.867 -8.121 790 HG2 LYS 95 1HG LYS 95 -8.589 8.750 -10.331 791 HG3 LYS 95 2HG LYS 95 -7.393 9.982 -9.840 792 HD2 LYS 95 1HD LYS 95 -6.049 8.571 -10.908 793 HD3 LYS 95 2HD LYS 95 -5.858 7.944 -9.313 794 HE2 LYS 95 1HE LYS 95 -6.426 5.896 -10.148 795 HE3 LYS 95 2HE LYS 95 -8.055 6.511 -10.469 796 HZ1 LYS 95 3HZ LYS 95 -7.477 7.073 -12.653 797 HZ2 LYS 95 1HZ LYS 95 -6.820 5.585 -12.445 798 HZ3 LYS 95 2HZ LYS 95 -5.880 6.929 -12.421 799 H ASP 96 H ASP 96 -10.855 9.312 -9.332 800 HA ASP 96 HA ASP 96 -11.732 10.099 -11.283 801 HB2 ASP 96 1HB ASP 96 -12.892 11.297 -9.373 802 HB3 ASP 96 2HB ASP 96 -11.936 12.716 -9.780 803 H CYS 97 H CYS 97 -8.899 10.188 -11.380 804 HA CYS 97 HA CYS 97 -8.284 12.117 -13.495 805 HB2 CYS 97 1HB CYS 97 -7.901 12.930 -10.856 806 HB3 CYS 97 2HB CYS 97 -6.305 12.319 -11.273 807 HG CYS 97 HG CYS 97 -5.806 13.894 -13.227 808 H SER 98 H SER 98 -5.527 11.911 -13.550 809 HA SER 98 HA SER 98 -4.936 9.342 -14.691 810 HB2 SER 98 1HB SER 98 -2.546 10.277 -14.532 811 HB3 SER 98 2HB SER 98 -3.707 11.238 -15.458 812 HG SER 98 HG SER 98 -3.073 11.715 -12.713 813 H GLU 99 H GLU 99 -3.570 7.625 -13.851 814 HA GLU 99 HA GLU 99 -3.898 6.860 -11.139 815 HB2 GLU 99 1HB GLU 99 -1.770 6.023 -13.131 816 HB3 GLU 99 2HB GLU 99 -1.961 5.308 -11.512 817 HG2 GLU 99 1HG GLU 99 -4.307 4.711 -12.058 818 HG3 GLU 99 2HG GLU 99 -4.098 5.337 -13.692 819 H ASP 100 H ASP 100 -1.444 8.943 -12.464 820 HA ASP 100 HA ASP 100 0.480 9.082 -10.444 821 HB2 ASP 100 1HB ASP 100 -0.701 11.171 -12.305 822 HB3 ASP 100 2HB ASP 100 0.522 11.600 -11.121 823 H GLU 101 H GLU 101 -2.902 10.145 -10.181 824 HA GLU 101 HA GLU 101 -2.603 12.039 -8.037 825 HB2 GLU 101 1HB GLU 101 -4.686 11.831 -9.309 826 HB3 GLU 101 2HB GLU 101 -4.850 10.153 -8.855 827 HG2 GLU 101 1HG GLU 101 -5.887 10.605 -6.983 828 HG3 GLU 101 2HG GLU 101 -4.614 11.650 -6.397 829 H ILE 102 H ILE 102 -3.373 8.542 -7.995 830 HA ILE 102 HA ILE 102 -3.039 8.353 -5.090 831 HB ILE 102 HB ILE 102 -3.486 6.193 -7.132 832 HG12 ILE 102 1HG1 ILE 102 -5.692 7.191 -5.317 833 HG13 ILE 102 2HG1 ILE 102 -5.328 8.151 -6.729 834 HG21 ILE 102 1HG2 ILE 102 -4.340 4.929 -5.097 835 HG22 ILE 102 2HG2 ILE 102 -2.619 5.277 -5.027 836 HG23 ILE 102 3HG2 ILE 102 -3.747 6.256 -4.088 837 HD11 ILE 102 3HD1 ILE 102 -6.084 5.220 -6.776 838 HD12 ILE 102 1HD1 ILE 102 -7.019 6.573 -7.346 839 HD13 ILE 102 2HD1 ILE 102 -5.526 6.114 -8.179 840 H GLU 103 H GLU 103 -1.214 7.333 -7.988 841 HA GLU 103 HA GLU 103 0.815 5.822 -6.681 842 HB2 GLU 103 1HB GLU 103 0.465 7.157 -9.325 843 HB3 GLU 103 2HB GLU 103 2.132 6.894 -8.848 844 HG2 GLU 103 1HG GLU 103 1.925 4.574 -8.717 845 HG3 GLU 103 2HG GLU 103 0.178 4.622 -8.606 846 H SER 104 H SER 104 0.702 9.381 -7.529 847 HA SER 104 HA SER 104 3.275 9.841 -6.232 848 HB2 SER 104 1HB SER 104 3.226 11.976 -6.941 849 HB3 SER 104 2HB SER 104 2.213 11.244 -8.175 850 HG SER 104 HG SER 104 0.716 12.579 -7.561 851 H ASP 105 H ASP 105 -0.146 10.036 -5.186 852 HA ASP 105 HA ASP 105 0.218 11.485 -2.845 853 HB2 ASP 105 1HB ASP 105 -1.764 9.552 -3.796 854 HB3 ASP 105 2HB ASP 105 -1.534 9.431 -2.079 855 H LEU 106 H LEU 106 1.425 8.263 -3.428 856 HA LEU 106 HA LEU 106 1.985 7.416 -0.786 857 HB2 LEU 106 1HB LEU 106 3.695 7.024 -3.282 858 HB3 LEU 106 2HB LEU 106 3.762 6.040 -1.832 859 HG LEU 106 HG LEU 106 1.420 6.265 -3.759 860 HD11 LEU 106 1HD1 LEU 106 1.930 4.083 -4.510 861 HD12 LEU 106 2HD1 LEU 106 3.098 3.819 -3.200 862 HD13 LEU 106 3HD1 LEU 106 3.470 4.959 -4.503 863 HD21 LEU 106 3HD2 LEU 106 0.057 5.283 -2.297 864 HD22 LEU 106 1HD2 LEU 106 1.241 5.530 -1.032 865 HD23 LEU 106 2HD2 LEU 106 1.247 4.018 -1.907 866 H LYS 107 H LYS 107 3.802 9.742 -2.780 867 HA LYS 107 HA LYS 107 6.010 10.050 -0.952 868 HB2 LYS 107 1HB LYS 107 6.755 11.700 -2.398 869 HB3 LYS 107 2HB LYS 107 5.792 10.681 -3.457 870 HG2 LYS 107 1HG LYS 107 3.875 12.481 -2.715 871 HG3 LYS 107 2HG LYS 107 5.288 13.484 -2.467 872 HD2 LYS 107 1HD LYS 107 4.551 12.041 -5.051 873 HD3 LYS 107 2HD LYS 107 4.225 13.742 -4.688 874 HE2 LYS 107 1HE LYS 107 6.808 13.906 -4.338 875 HE3 LYS 107 2HE LYS 107 6.862 12.327 -5.145 876 HZ1 LYS 107 3HZ LYS 107 5.620 13.413 -7.023 877 HZ2 LYS 107 1HZ LYS 107 7.101 14.061 -6.799 878 HZ3 LYS 107 2HZ LYS 107 5.778 14.858 -6.279 879 H LYS 108 H LYS 108 2.794 11.278 -0.899 880 HA LYS 108 HA LYS 108 3.300 13.300 1.247 881 HB2 LYS 108 1HB LYS 108 0.849 12.590 -0.421 882 HB3 LYS 108 2HB LYS 108 0.820 13.755 0.892 883 HG2 LYS 108 1HG LYS 108 1.854 15.383 -0.307 884 HG3 LYS 108 2HG LYS 108 3.016 14.282 -1.020 885 HD2 LYS 108 1HD LYS 108 1.786 15.078 -2.858 886 HD3 LYS 108 2HD LYS 108 1.212 13.447 -2.578 887 HE2 LYS 108 1HE LYS 108 -0.740 14.696 -2.999 888 HE3 LYS 108 2HE LYS 108 -0.735 14.474 -1.250 889 HZ1 LYS 108 3HZ LYS 108 0.167 16.923 -2.690 890 HZ2 LYS 108 1HZ LYS 108 0.196 16.748 -1.065 891 HZ3 LYS 108 2HZ LYS 108 -1.228 16.778 -1.861 892 H ILE 109 H ILE 109 2.259 10.027 0.888 893 HA ILE 109 HA ILE 109 1.091 9.957 3.597 894 HB ILE 109 HB ILE 109 1.424 7.696 1.638 895 HG12 ILE 109 1HG1 ILE 109 -1.291 8.877 2.277 896 HG13 ILE 109 2HG1 ILE 109 -0.325 9.756 1.122 897 HG21 ILE 109 1HG2 ILE 109 -0.611 7.024 3.364 898 HG22 ILE 109 2HG2 ILE 109 1.099 6.603 3.602 899 HG23 ILE 109 3HG2 ILE 109 0.386 7.993 4.425 900 HD11 ILE 109 3HD1 ILE 109 -1.960 7.698 0.422 901 HD12 ILE 109 1HD1 ILE 109 -0.531 8.155 -0.507 902 HD13 ILE 109 2HD1 ILE 109 -0.433 6.818 0.603 903 H PHE 110 H PHE 110 3.599 7.923 1.944 904 HA PHE 110 HA PHE 110 4.682 7.068 4.512 905 HB2 PHE 110 1HB PHE 110 6.013 6.640 1.846 906 HB3 PHE 110 2HB PHE 110 6.069 5.629 3.271 907 HD1 PHE 110 HD2 PHE 110 3.213 5.242 3.941 908 HD2 PHE 110 HD1 PHE 110 5.161 5.315 0.103 909 HE1 PHE 110 HE2 PHE 110 1.306 3.982 2.884 910 HE2 PHE 110 HE1 PHE 110 3.373 3.940 -0.848 911 HZ PHE 110 HZ PHE 110 1.387 3.351 0.527 912 H ASN 111 H ASN 111 5.206 9.737 2.533 913 HA ASN 111 HA ASN 111 6.609 11.491 2.452 914 HB2 ASN 111 1HB ASN 111 5.953 11.424 4.901 915 HB3 ASN 111 2HB ASN 111 7.557 10.767 5.223 916 HD21 ASN 111 2HD2 ASN 111 5.866 13.531 3.631 917 HD22 ASN 111 1HD2 ASN 111 7.158 14.670 3.980 918 H LEU 112 H LEU 112 7.609 10.274 0.720 919 HA LEU 112 HA LEU 112 10.265 9.091 1.258 920 HB2 LEU 112 1HB LEU 112 8.749 9.308 -1.372 921 HB3 LEU 112 2HB LEU 112 10.264 8.474 -1.080 922 HG LEU 112 HG LEU 112 8.843 6.696 -1.070 923 HD11 LEU 112 1HD1 LEU 112 8.514 7.439 1.854 924 HD12 LEU 112 2HD1 LEU 112 9.964 6.694 1.158 925 HD13 LEU 112 3HD1 LEU 112 8.423 5.830 1.130 926 HD21 LEU 112 3HD2 LEU 112 6.675 8.251 0.317 927 HD22 LEU 112 1HD2 LEU 112 6.610 6.637 -0.418 928 HD23 LEU 112 2HD2 LEU 112 6.842 8.024 -1.452 929 H ALA 113 H ALA 113 9.106 11.536 -1.086 930 HA ALA 113 HA ALA 113 10.073 13.251 -2.175 931 HB1 ALA 113 3HB ALA 113 11.271 13.723 0.571 932 HB2 ALA 113 1HB ALA 113 11.172 14.924 -0.731 933 HB3 ALA 113 2HB ALA 113 9.685 14.266 -0.020 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -17.026 -12.327 20.089 2 H2 GLY 1 2H GLY 1 -15.753 -12.529 21.101 3 H3 GLY 1 3H GLY 1 -15.687 -11.395 19.923 4 HA2 GLY 1 1HA GLY 1 -15.835 -14.304 19.467 5 HA3 GLY 1 2HA GLY 1 -15.725 -13.068 18.201 6 H SER 2 H SER 2 -13.901 -14.842 17.931 7 HA SER 2 HA SER 2 -11.342 -13.538 18.468 8 HB2 SER 2 1HB SER 2 -11.490 -14.696 20.562 9 HB3 SER 2 2HB SER 2 -12.025 -16.189 19.780 10 HG SER 2 HG SER 2 -9.447 -14.950 19.549 11 H HIS 3 H HIS 3 -10.937 -13.447 16.328 12 HA HIS 3 HA HIS 3 -9.865 -15.772 15.016 13 HB2 HIS 3 1HB HIS 3 -12.636 -15.041 14.354 14 HB3 HIS 3 2HB HIS 3 -11.616 -14.839 12.950 15 HD1 HIS 3 HD1 HIS 3 -10.158 -17.161 12.202 16 HD2 HIS 3 HD2 HIS 3 -13.317 -17.494 14.998 17 HE1 HIS 3 HE1 HIS 3 -10.710 -19.657 12.377 18 HE2 HIS 3 HE2 HIS 3 -12.655 -19.863 14.053 19 H MET 4 H MET 4 -8.861 -15.251 12.951 20 HA MET 4 HA MET 4 -8.498 -12.404 12.265 21 HB2 MET 4 1HB MET 4 -6.675 -13.012 13.884 22 HB3 MET 4 2HB MET 4 -6.132 -14.270 12.767 23 HG2 MET 4 1HG MET 4 -4.790 -12.237 12.489 24 HG3 MET 4 2HG MET 4 -5.729 -12.554 11.034 25 HE1 MET 4 3HE MET 4 -5.876 -10.625 9.839 26 HE2 MET 4 1HE MET 4 -6.553 -9.055 10.312 27 HE3 MET 4 2HE MET 4 -4.883 -9.468 10.763 28 H GLY 5 H GLY 5 -9.209 -12.370 10.242 29 HA2 GLY 5 1HA GLY 5 -8.162 -14.325 8.217 30 HA3 GLY 5 2HA GLY 5 -9.886 -13.978 8.319 31 H SER 6 H SER 6 -10.610 -11.814 7.823 32 HA SER 6 HA SER 6 -8.757 -9.910 6.537 33 HB2 SER 6 1HB SER 6 -9.921 -9.813 4.465 34 HB3 SER 6 2HB SER 6 -9.589 -11.524 4.758 35 HG SER 6 HG SER 6 -11.754 -11.206 4.095 36 H VAL 7 H VAL 7 -10.195 -7.954 5.726 37 HA VAL 7 HA VAL 7 -11.592 -6.882 8.025 38 HB VAL 7 HB VAL 7 -11.639 -5.737 5.223 39 HG11 VAL 7 1HG1 VAL 7 -11.970 -4.512 7.997 40 HG12 VAL 7 2HG1 VAL 7 -11.787 -3.568 6.513 41 HG13 VAL 7 3HG1 VAL 7 -13.195 -4.599 6.709 42 HG21 VAL 7 3HG2 VAL 7 -9.507 -5.569 7.386 43 HG22 VAL 7 1HG2 VAL 7 -9.323 -6.021 5.676 44 HG23 VAL 7 2HG2 VAL 7 -9.666 -4.351 6.107 45 H GLY 8 H GLY 8 -12.721 -8.552 5.167 46 HA2 GLY 8 1HA GLY 8 -14.919 -9.681 5.406 47 HA3 GLY 8 2HA GLY 8 -15.596 -8.162 5.972 48 H LEU 9 H LEU 9 -13.666 -7.104 3.629 49 HA LEU 9 HA LEU 9 -15.587 -7.501 1.377 50 HB2 LEU 9 1HB LEU 9 -15.197 -5.229 0.658 51 HB3 LEU 9 2HB LEU 9 -15.902 -5.267 2.250 52 HG LEU 9 HG LEU 9 -12.891 -5.005 2.045 53 HD11 LEU 9 1HD1 LEU 9 -14.920 -2.830 1.438 54 HD12 LEU 9 2HD1 LEU 9 -13.560 -3.375 0.432 55 HD13 LEU 9 3HD1 LEU 9 -13.260 -2.498 1.949 56 HD21 LEU 9 3HD2 LEU 9 -14.726 -3.416 3.839 57 HD22 LEU 9 1HD2 LEU 9 -13.040 -3.907 4.088 58 HD23 LEU 9 2HD2 LEU 9 -14.351 -5.090 4.256 59 H ARG 10 H ARG 10 -14.392 -6.503 -0.668 60 HA ARG 10 HA ARG 10 -11.816 -8.042 -1.043 61 HB2 ARG 10 1HB ARG 10 -14.289 -7.887 -2.773 62 HB3 ARG 10 2HB ARG 10 -12.714 -7.946 -3.560 63 HG2 ARG 10 1HG ARG 10 -13.470 -10.181 -3.418 64 HG3 ARG 10 2HG ARG 10 -12.119 -9.982 -2.312 65 HD2 ARG 10 1HD ARG 10 -14.023 -9.636 -0.489 66 HD3 ARG 10 2HD ARG 10 -15.068 -10.352 -1.705 67 HE ARG 10 HE ARG 10 -14.056 -12.422 -1.330 68 HH11 ARG 10 1HH1 ARG 10 -12.135 -10.022 0.403 69 HH12 ARG 10 2HH1 ARG 10 -10.971 -11.211 0.909 70 HH21 ARG 10 1HH2 ARG 10 -12.706 -13.894 -0.395 71 HH22 ARG 10 2HH2 ARG 10 -11.420 -13.364 0.648 72 H GLU 11 H GLU 11 -13.408 -5.617 -3.017 73 HA GLU 11 HA GLU 11 -11.182 -3.674 -2.627 74 HB2 GLU 11 1HB GLU 11 -11.523 -5.416 -5.005 75 HB3 GLU 11 2HB GLU 11 -11.197 -3.724 -5.349 76 HG2 GLU 11 1HG GLU 11 -9.059 -3.842 -4.763 77 HG3 GLU 11 2HG GLU 11 -9.354 -4.752 -3.300 78 H ILE 12 H ILE 12 -14.253 -4.455 -4.214 79 HA ILE 12 HA ILE 12 -14.945 -1.910 -5.146 80 HB ILE 12 HB ILE 12 -16.069 -3.873 -5.868 81 HG12 ILE 12 1HG1 ILE 12 -18.381 -3.152 -5.853 82 HG13 ILE 12 2HG1 ILE 12 -18.119 -2.114 -4.453 83 HG21 ILE 12 1HG2 ILE 12 -17.828 -4.261 -3.496 84 HG22 ILE 12 2HG2 ILE 12 -17.152 -5.435 -4.639 85 HG23 ILE 12 3HG2 ILE 12 -16.173 -4.823 -3.297 86 HD11 ILE 12 3HD1 ILE 12 -16.569 -1.678 -7.032 87 HD12 ILE 12 1HD1 ILE 12 -18.196 -1.007 -6.782 88 HD13 ILE 12 2HD1 ILE 12 -16.874 -0.529 -5.707 89 H ILE 13 H ILE 13 -14.988 -0.124 -4.107 90 HA ILE 13 HA ILE 13 -16.554 0.259 -1.631 91 HB ILE 13 HB ILE 13 -14.733 1.580 -0.648 92 HG12 ILE 13 1HG1 ILE 13 -12.329 0.760 -1.459 93 HG13 ILE 13 2HG1 ILE 13 -13.102 0.636 -3.021 94 HG21 ILE 13 1HG2 ILE 13 -13.651 -0.173 0.406 95 HG22 ILE 13 2HG2 ILE 13 -15.230 -0.801 -0.049 96 HG23 ILE 13 3HG2 ILE 13 -13.795 -1.250 -1.003 97 HD11 ILE 13 3HD1 ILE 13 -11.898 2.770 -2.659 98 HD12 ILE 13 1HD1 ILE 13 -13.623 3.045 -2.982 99 HD13 ILE 13 2HD1 ILE 13 -12.962 3.167 -1.332 100 H SER 14 H SER 14 -16.390 2.707 -1.035 101 HA SER 14 HA SER 14 -16.753 4.407 -3.458 102 HB2 SER 14 1HB SER 14 -18.584 5.470 -2.512 103 HB3 SER 14 2HB SER 14 -18.871 3.778 -2.084 104 HG SER 14 HG SER 14 -19.122 5.377 -0.346 105 H GLU 15 H GLU 15 -16.723 6.830 -2.598 106 HA GLU 15 HA GLU 15 -14.119 7.557 -1.871 107 HB2 GLU 15 1HB GLU 15 -15.814 8.946 -2.991 108 HB3 GLU 15 2HB GLU 15 -16.726 9.070 -1.495 109 HG2 GLU 15 1HG GLU 15 -13.929 9.947 -1.127 110 HG3 GLU 15 2HG GLU 15 -14.683 10.770 -2.473 111 H GLU 16 H GLU 16 -16.694 6.562 0.325 112 HA GLU 16 HA GLU 16 -15.734 7.710 2.774 113 HB2 GLU 16 1HB GLU 16 -17.174 5.065 2.283 114 HB3 GLU 16 2HB GLU 16 -16.806 5.742 3.871 115 HG2 GLU 16 1HG GLU 16 -18.044 7.895 2.730 116 HG3 GLU 16 2HG GLU 16 -18.864 6.585 1.881 117 H ASP 17 H ASP 17 -15.006 4.465 1.404 118 HA ASP 17 HA ASP 17 -13.003 3.775 3.372 119 HB2 ASP 17 1HB ASP 17 -13.764 1.946 2.186 120 HB3 ASP 17 2HB ASP 17 -13.755 2.826 0.656 121 H VAL 18 H VAL 18 -12.825 5.381 0.148 122 HA VAL 18 HA VAL 18 -10.049 5.474 -0.017 123 HB VAL 18 HB VAL 18 -11.939 7.600 -1.064 124 HG11 VAL 18 1HG1 VAL 18 -8.988 7.418 -1.143 125 HG12 VAL 18 2HG1 VAL 18 -9.718 7.555 -2.735 126 HG13 VAL 18 3HG1 VAL 18 -10.064 8.766 -1.479 127 HG21 VAL 18 3HG2 VAL 18 -11.466 6.261 -3.237 128 HG22 VAL 18 1HG2 VAL 18 -10.894 4.976 -2.155 129 HG23 VAL 18 2HG2 VAL 18 -12.557 5.552 -2.051 130 H LYS 19 H LYS 19 -12.169 7.837 1.639 131 HA LYS 19 HA LYS 19 -9.949 9.449 2.642 132 HB2 LYS 19 1HB LYS 19 -12.824 9.186 3.618 133 HB3 LYS 19 2HB LYS 19 -11.697 10.436 4.133 134 HG2 LYS 19 1HG LYS 19 -12.711 10.017 1.280 135 HG3 LYS 19 2HG LYS 19 -13.295 11.225 2.408 136 HD2 LYS 19 1HD LYS 19 -10.476 11.111 1.230 137 HD3 LYS 19 2HD LYS 19 -11.803 12.146 0.699 138 HE2 LYS 19 1HE LYS 19 -11.921 13.018 3.112 139 HE3 LYS 19 2HE LYS 19 -10.374 12.199 3.386 140 HZ1 LYS 19 3HZ LYS 19 -10.836 14.262 1.288 141 HZ2 LYS 19 1HZ LYS 19 -9.393 13.586 1.660 142 HZ3 LYS 19 2HZ LYS 19 -10.141 14.569 2.729 143 H GLN 20 H GLN 20 -11.518 6.543 3.931 144 HA GLN 20 HA GLN 20 -10.262 6.764 6.560 145 HB2 GLN 20 1HB GLN 20 -12.344 5.629 6.393 146 HB3 GLN 20 2HB GLN 20 -11.736 4.496 5.182 147 HG2 GLN 20 1HG GLN 20 -10.271 3.417 6.767 148 HG3 GLN 20 2HG GLN 20 -10.496 4.707 7.956 149 HE21 GLN 20 2HE2 GLN 20 -10.829 2.149 8.867 150 HE22 GLN 20 1HE2 GLN 20 -12.548 1.877 9.131 151 H VAL 21 H VAL 21 -9.633 4.611 3.736 152 HA VAL 21 HA VAL 21 -7.353 3.330 4.807 153 HB VAL 21 HB VAL 21 -8.662 2.566 2.854 154 HG11 VAL 21 1HG1 VAL 21 -6.957 4.415 1.166 155 HG12 VAL 21 2HG1 VAL 21 -8.304 3.351 0.683 156 HG13 VAL 21 3HG1 VAL 21 -8.619 4.802 1.632 157 HG21 VAL 21 3HG2 VAL 21 -5.695 2.794 2.256 158 HG22 VAL 21 1HG2 VAL 21 -6.385 1.658 3.430 159 HG23 VAL 21 2HG2 VAL 21 -6.821 1.532 1.712 160 H TYR 22 H TYR 22 -7.547 6.406 3.002 161 HA TYR 22 HA TYR 22 -4.758 6.916 2.882 162 HB2 TYR 22 1HB TYR 22 -7.217 8.557 2.671 163 HB3 TYR 22 2HB TYR 22 -5.768 9.408 3.145 164 HD1 TYR 22 HD2 TYR 22 -6.997 7.020 0.527 165 HD2 TYR 22 HD1 TYR 22 -4.086 9.996 1.611 166 HE1 TYR 22 HE2 TYR 22 -6.374 7.288 -1.874 167 HE2 TYR 22 HE1 TYR 22 -3.393 10.185 -0.758 168 HH TYR 22 HH TYR 22 -4.071 9.759 -2.931 169 H SER 23 H SER 23 -6.965 7.188 5.615 170 HA SER 23 HA SER 23 -5.105 8.696 7.311 171 HB2 SER 23 1HB SER 23 -7.566 8.926 7.435 172 HB3 SER 23 2HB SER 23 -7.685 7.269 8.042 173 HG SER 23 HG SER 23 -6.550 7.877 9.876 174 H ILE 24 H ILE 24 -5.771 5.301 6.631 175 HA ILE 24 HA ILE 24 -4.600 4.165 9.022 176 HB ILE 24 HB ILE 24 -4.897 2.919 6.252 177 HG12 ILE 24 1HG1 ILE 24 -6.694 2.774 8.721 178 HG13 ILE 24 2HG1 ILE 24 -7.048 3.626 7.224 179 HG21 ILE 24 1HG2 ILE 24 -4.362 1.600 8.950 180 HG22 ILE 24 2HG2 ILE 24 -4.671 0.752 7.422 181 HG23 ILE 24 3HG2 ILE 24 -3.217 1.707 7.592 182 HD11 ILE 24 3HD1 ILE 24 -6.950 0.640 7.641 183 HD12 ILE 24 1HD1 ILE 24 -8.280 1.654 7.054 184 HD13 ILE 24 2HD1 ILE 24 -6.855 1.371 6.024 185 H LEU 25 H LEU 25 -3.240 4.610 5.717 186 HA LEU 25 HA LEU 25 -0.554 3.985 6.697 187 HB2 LEU 25 1HB LEU 25 -0.052 4.732 4.240 188 HB3 LEU 25 2HB LEU 25 -0.610 3.148 4.641 189 HG LEU 25 HG LEU 25 -2.860 3.656 3.861 190 HD11 LEU 25 1HD1 LEU 25 -1.685 6.419 3.515 191 HD12 LEU 25 2HD1 LEU 25 -3.215 5.922 4.183 192 HD13 LEU 25 3HD1 LEU 25 -2.957 5.856 2.425 193 HD21 LEU 25 3HD2 LEU 25 -0.696 4.416 1.861 194 HD22 LEU 25 1HD2 LEU 25 -2.320 3.809 1.488 195 HD23 LEU 25 2HD2 LEU 25 -1.157 2.762 2.314 196 H LYS 26 H LYS 26 -2.320 6.889 6.645 197 HA LYS 26 HA LYS 26 -0.333 8.820 6.090 198 HB2 LYS 26 1HB LYS 26 -2.979 8.888 7.016 199 HB3 LYS 26 2HB LYS 26 -2.103 9.502 8.386 200 HG2 LYS 26 1HG LYS 26 -2.664 11.406 7.084 201 HG3 LYS 26 2HG LYS 26 -0.943 11.127 6.794 202 HD2 LYS 26 1HD LYS 26 -1.850 9.719 4.707 203 HD3 LYS 26 2HD LYS 26 -3.321 10.644 4.966 204 HE2 LYS 26 1HE LYS 26 -0.990 12.418 5.019 205 HE3 LYS 26 2HE LYS 26 -0.893 11.363 3.613 206 HZ1 LYS 26 3HZ LYS 26 -3.376 12.112 3.313 207 HZ2 LYS 26 1HZ LYS 26 -2.169 13.087 2.808 208 HZ3 LYS 26 2HZ LYS 26 -2.923 13.395 4.220 209 H GLU 27 H GLU 27 -0.726 6.925 8.962 210 HA GLU 27 HA GLU 27 1.221 8.436 10.556 211 HB2 GLU 27 1HB GLU 27 -0.789 7.297 11.508 212 HB3 GLU 27 2HB GLU 27 -0.085 5.734 11.101 213 HG2 GLU 27 1HG GLU 27 1.392 5.794 12.829 214 HG3 GLU 27 2HG GLU 27 1.779 7.493 12.603 215 H LYS 28 H LYS 28 3.359 8.122 10.538 216 HA LYS 28 HA LYS 28 4.596 5.937 8.980 217 HB2 LYS 28 1HB LYS 28 5.605 8.497 10.261 218 HB3 LYS 28 2HB LYS 28 6.724 7.238 9.779 219 HG2 LYS 28 1HG LYS 28 6.626 8.795 8.012 220 HG3 LYS 28 2HG LYS 28 5.929 7.277 7.473 221 HD2 LYS 28 1HD LYS 28 4.812 9.243 6.591 222 HD3 LYS 28 2HD LYS 28 3.683 8.229 7.482 223 HE2 LYS 28 1HE LYS 28 3.466 9.792 9.225 224 HE3 LYS 28 2HE LYS 28 5.057 10.509 8.927 225 HZ1 LYS 28 3HZ LYS 28 4.137 11.500 6.895 226 HZ2 LYS 28 1HZ LYS 28 3.275 11.979 8.196 227 HZ3 LYS 28 2HZ LYS 28 2.667 10.832 7.198 228 H ASP 29 H ASP 29 3.497 6.047 12.060 229 HA ASP 29 HA ASP 29 5.710 4.851 13.507 230 HB2 ASP 29 1HB ASP 29 3.752 6.377 14.339 231 HB3 ASP 29 2HB ASP 29 2.829 4.879 14.437 232 H ILE 30 H ILE 30 4.309 3.432 11.157 233 HA ILE 30 HA ILE 30 3.532 0.823 12.323 234 HB ILE 30 HB ILE 30 2.649 0.363 10.014 235 HG12 ILE 30 1HG1 ILE 30 2.112 2.476 8.699 236 HG13 ILE 30 2HG1 ILE 30 3.342 3.297 9.618 237 HG21 ILE 30 1HG2 ILE 30 0.660 1.813 10.351 238 HG22 ILE 30 2HG2 ILE 30 1.199 1.020 11.840 239 HG23 ILE 30 3HG2 ILE 30 1.546 2.745 11.559 240 HD11 ILE 30 3HD1 ILE 30 5.074 1.851 8.658 241 HD12 ILE 30 1HD1 ILE 30 3.854 0.858 7.844 242 HD13 ILE 30 2HD1 ILE 30 4.070 2.562 7.395 243 H SER 31 H SER 31 6.391 2.080 11.405 244 HA SER 31 HA SER 31 7.580 0.564 9.425 245 HB2 SER 31 1HB SER 31 9.701 0.913 10.969 246 HB3 SER 31 2HB SER 31 8.916 2.250 10.123 247 HG SER 31 HG SER 31 9.267 2.850 12.258 248 H VAL 32 H VAL 32 7.279 -1.544 9.182 249 HA VAL 32 HA VAL 32 7.121 -3.496 11.210 250 HB VAL 32 HB VAL 32 6.232 -3.794 8.944 251 HG11 VAL 32 1HG1 VAL 32 7.494 -4.330 7.044 252 HG12 VAL 32 2HG1 VAL 32 8.251 -2.878 7.708 253 HG13 VAL 32 3HG1 VAL 32 9.011 -4.467 7.963 254 HG21 VAL 32 3HG2 VAL 32 6.735 -6.127 8.641 255 HG22 VAL 32 1HG2 VAL 32 8.144 -6.011 9.708 256 HG23 VAL 32 2HG2 VAL 32 6.504 -5.740 10.356 257 H ASP 33 H ASP 33 8.540 -4.815 12.215 258 HA ASP 33 HA ASP 33 11.269 -4.001 12.488 259 HB2 ASP 33 1HB ASP 33 9.692 -5.264 14.134 260 HB3 ASP 33 2HB ASP 33 10.187 -6.718 13.270 261 H SER 34 H SER 34 13.208 -4.839 11.596 262 HA SER 34 HA SER 34 13.115 -6.071 9.030 263 HB2 SER 34 1HB SER 34 15.641 -6.372 9.482 264 HB3 SER 34 2HB SER 34 14.972 -4.739 9.416 265 HG SER 34 HG SER 34 15.569 -6.222 11.790 266 H THR 35 H THR 35 13.499 -7.567 12.247 267 HA THR 35 HA THR 35 14.221 -10.205 11.212 268 HB THR 35 HB THR 35 12.988 -9.397 13.880 269 HG1 THR 35 HG1 THR 35 15.675 -9.869 13.064 270 HG21 THR 35 3HG2 THR 35 12.722 -11.811 13.543 271 HG22 THR 35 1HG2 THR 35 14.005 -11.508 14.718 272 HG23 THR 35 2HG2 THR 35 14.424 -11.960 13.049 273 H THR 36 H THR 36 11.174 -8.662 12.231 274 HA THR 36 HA THR 36 9.507 -10.958 11.609 275 HB THR 36 HB THR 36 8.790 -8.053 12.129 276 HG1 THR 36 HG1 THR 36 8.317 -8.918 14.193 277 HG21 THR 36 3HG2 THR 36 6.574 -9.175 12.858 278 HG22 THR 36 1HG2 THR 36 7.094 -10.552 11.860 279 HG23 THR 36 2HG2 THR 36 6.898 -8.942 11.129 280 H TRP 37 H TRP 37 10.635 -8.213 9.685 281 HA TRP 37 HA TRP 37 8.802 -8.128 7.654 282 HB2 TRP 37 1HB TRP 37 10.637 -6.598 7.679 283 HB3 TRP 37 2HB TRP 37 11.812 -7.896 7.516 284 HD1 TRP 37 HD1 TRP 37 12.927 -7.399 5.278 285 HE1 TRP 37 HE1 TRP 37 12.156 -7.179 2.828 286 HE3 TRP 37 HE3 TRP 37 7.848 -7.415 6.006 287 HZ2 TRP 37 HZ2 TRP 37 9.642 -7.027 1.382 288 HZ3 TRP 37 HZ3 TRP 37 6.328 -7.405 4.105 289 HH2 TRP 37 HH2 TRP 37 7.178 -7.211 1.783 290 H ASN 38 H ASN 38 11.476 -10.460 7.847 291 HA ASN 38 HA ASN 38 11.081 -11.821 5.425 292 HB2 ASN 38 1HB ASN 38 12.991 -12.076 7.045 293 HB3 ASN 38 2HB ASN 38 11.925 -12.992 8.116 294 HD21 ASN 38 2HD2 ASN 38 13.105 -12.959 4.688 295 HD22 ASN 38 1HD2 ASN 38 13.156 -14.713 4.579 296 H ARG 39 H ARG 39 9.198 -12.094 8.374 297 HA ARG 39 HA ARG 39 7.541 -14.360 7.397 298 HB2 ARG 39 1HB ARG 39 7.511 -12.731 9.981 299 HB3 ARG 39 2HB ARG 39 6.247 -13.870 9.537 300 HG2 ARG 39 1HG ARG 39 7.731 -15.008 10.992 301 HG3 ARG 39 2HG ARG 39 7.908 -15.696 9.375 302 HD2 ARG 39 1HD ARG 39 10.008 -14.408 9.061 303 HD3 ARG 39 2HD ARG 39 9.795 -13.663 10.649 304 HE ARG 39 HE ARG 39 10.560 -15.620 11.652 305 HH11 ARG 39 1HH1 ARG 39 10.020 -16.346 8.271 306 HH12 ARG 39 2HH1 ARG 39 10.729 -17.930 8.400 307 HH21 ARG 39 1HH2 ARG 39 11.498 -17.621 11.740 308 HH22 ARG 39 2HH2 ARG 39 11.556 -18.621 10.318 309 H ARG 40 H ARG 40 7.182 -10.878 8.078 310 HA ARG 40 HA ARG 40 4.467 -10.574 7.311 311 HB2 ARG 40 1HB ARG 40 6.684 -8.729 7.755 312 HB3 ARG 40 2HB ARG 40 5.777 -8.261 6.318 313 HG2 ARG 40 1HG ARG 40 4.669 -7.136 8.004 314 HG3 ARG 40 2HG ARG 40 3.638 -8.544 7.717 315 HD2 ARG 40 1HD ARG 40 5.469 -9.426 9.629 316 HD3 ARG 40 2HD ARG 40 5.231 -7.713 10.051 317 HE ARG 40 HE ARG 40 2.923 -9.607 9.693 318 HH11 ARG 40 1HH1 ARG 40 4.780 -7.815 12.052 319 HH12 ARG 40 2HH1 ARG 40 3.642 -8.182 13.318 320 HH21 ARG 40 1HH2 ARG 40 1.495 -9.869 11.205 321 HH22 ARG 40 2HH2 ARG 40 1.769 -9.303 12.838 322 H TYR 41 H TYR 41 7.305 -10.749 5.220 323 HA TYR 41 HA TYR 41 6.193 -10.051 2.778 324 HB2 TYR 41 1HB TYR 41 8.601 -10.862 3.441 325 HB3 TYR 41 2HB TYR 41 8.032 -12.450 2.966 326 HD1 TYR 41 HD2 TYR 41 6.727 -12.381 0.487 327 HD2 TYR 41 HD1 TYR 41 9.775 -9.662 1.871 328 HE1 TYR 41 HE2 TYR 41 7.132 -11.638 -1.845 329 HE2 TYR 41 HE1 TYR 41 10.207 -8.962 -0.492 330 HH TYR 41 HH TYR 41 8.323 -10.329 -3.222 331 H ARG 42 H ARG 42 5.861 -13.129 4.484 332 HA ARG 42 HA ARG 42 4.504 -14.605 2.375 333 HB2 ARG 42 1HB ARG 42 4.407 -15.045 5.409 334 HB3 ARG 42 2HB ARG 42 3.822 -16.171 4.199 335 HG2 ARG 42 1HG ARG 42 6.728 -15.310 4.531 336 HG3 ARG 42 2HG ARG 42 5.999 -16.800 5.125 337 HD2 ARG 42 1HD ARG 42 5.291 -16.770 2.402 338 HD3 ARG 42 2HD ARG 42 6.929 -16.127 2.399 339 HE ARG 42 HE ARG 42 6.061 -18.847 2.930 340 HH11 ARG 42 1HH1 ARG 42 8.684 -16.678 3.729 341 HH12 ARG 42 2HH1 ARG 42 9.762 -17.987 4.133 342 HH21 ARG 42 1HH2 ARG 42 7.449 -20.456 3.472 343 HH22 ARG 42 2HH2 ARG 42 9.064 -20.083 3.993 344 H GLU 43 H GLU 43 3.089 -13.308 5.384 345 HA GLU 43 HA GLU 43 0.374 -13.638 4.571 346 HB2 GLU 43 1HB GLU 43 -0.196 -11.937 6.284 347 HB3 GLU 43 2HB GLU 43 0.816 -13.254 6.877 348 HG2 GLU 43 1HG GLU 43 2.803 -11.825 6.763 349 HG3 GLU 43 2HG GLU 43 1.834 -10.476 6.155 350 H TYR 44 H TYR 44 2.503 -10.778 4.137 351 HA TYR 44 HA TYR 44 0.603 -9.145 2.806 352 HB2 TYR 44 1HB TYR 44 3.619 -9.262 2.710 353 HB3 TYR 44 2HB TYR 44 2.686 -8.071 1.858 354 HD1 TYR 44 HD2 TYR 44 0.855 -8.560 4.877 355 HD2 TYR 44 HD1 TYR 44 4.468 -6.808 3.304 356 HE1 TYR 44 HE2 TYR 44 0.981 -7.083 6.842 357 HE2 TYR 44 HE1 TYR 44 4.653 -5.391 5.378 358 HH TYR 44 HH TYR 44 2.117 -5.405 7.894 359 H MET 45 H MET 45 2.862 -11.569 1.399 360 HA MET 45 HA MET 45 2.205 -11.141 -1.314 361 HB2 MET 45 1HB MET 45 3.467 -13.314 0.230 362 HB3 MET 45 2HB MET 45 2.449 -13.944 -1.030 363 HG2 MET 45 1HG MET 45 3.866 -11.919 -2.347 364 HG3 MET 45 2HG MET 45 5.032 -12.607 -1.219 365 HE1 MET 45 3HE MET 45 6.157 -14.407 -4.458 366 HE2 MET 45 1HE MET 45 5.958 -12.724 -3.917 367 HE3 MET 45 2HE MET 45 6.736 -13.922 -2.849 368 H GLU 46 H GLU 46 0.347 -12.854 1.166 369 HA GLU 46 HA GLU 46 -1.624 -13.901 -0.748 370 HB2 GLU 46 1HB GLU 46 -1.960 -13.732 2.246 371 HB3 GLU 46 2HB GLU 46 -2.804 -14.768 1.073 372 HG2 GLU 46 1HG GLU 46 -0.709 -15.955 0.584 373 HG3 GLU 46 2HG GLU 46 0.171 -14.918 1.687 374 H LYS 47 H LYS 47 -1.421 -11.178 1.544 375 HA LYS 47 HA LYS 47 -4.071 -10.232 1.298 376 HB2 LYS 47 1HB LYS 47 -1.440 -8.918 1.945 377 HB3 LYS 47 2HB LYS 47 -2.756 -7.881 1.430 378 HG2 LYS 47 1HG LYS 47 -2.768 -7.818 3.706 379 HG3 LYS 47 2HG LYS 47 -4.200 -8.745 3.247 380 HD2 LYS 47 1HD LYS 47 -3.151 -10.807 4.028 381 HD3 LYS 47 2HD LYS 47 -1.577 -9.988 4.171 382 HE2 LYS 47 1HE LYS 47 -1.985 -9.312 6.238 383 HE3 LYS 47 2HE LYS 47 -3.374 -8.404 5.655 384 HZ1 LYS 47 3HZ LYS 47 -4.637 -10.576 5.831 385 HZ2 LYS 47 1HZ LYS 47 -4.279 -9.825 7.211 386 HZ3 LYS 47 2HZ LYS 47 -3.396 -11.137 6.772 387 H ILE 48 H ILE 48 -1.556 -10.132 -1.090 388 HA ILE 48 HA ILE 48 -2.666 -8.121 -2.815 389 HB ILE 48 HB ILE 48 -0.988 -10.397 -3.848 390 HG12 ILE 48 1HG1 ILE 48 0.225 -9.901 -1.891 391 HG13 ILE 48 2HG1 ILE 48 1.051 -9.091 -3.196 392 HG21 ILE 48 1HG2 ILE 48 0.052 -8.589 -5.148 393 HG22 ILE 48 2HG2 ILE 48 -1.670 -8.704 -5.491 394 HG23 ILE 48 3HG2 ILE 48 -1.047 -7.405 -4.449 395 HD11 ILE 48 3HD1 ILE 48 -0.188 -6.920 -2.516 396 HD12 ILE 48 1HD1 ILE 48 -0.685 -7.769 -1.054 397 HD13 ILE 48 2HD1 ILE 48 1.044 -7.550 -1.426 398 H LYS 49 H LYS 49 -3.671 -11.352 -2.237 399 HA LYS 49 HA LYS 49 -5.475 -11.303 -4.649 400 HB2 LYS 49 1HB LYS 49 -4.652 -13.866 -3.312 401 HB3 LYS 49 2HB LYS 49 -5.263 -13.587 -4.935 402 HG2 LYS 49 1HG LYS 49 -3.103 -13.938 -5.541 403 HG3 LYS 49 2HG LYS 49 -2.899 -12.236 -5.131 404 HD2 LYS 49 1HD LYS 49 -1.121 -13.336 -4.026 405 HD3 LYS 49 2HD LYS 49 -2.312 -13.045 -2.764 406 HE2 LYS 49 1HE LYS 49 -1.944 -15.277 -2.311 407 HE3 LYS 49 2HE LYS 49 -3.198 -15.462 -3.535 408 HZ1 LYS 49 3HZ LYS 49 -1.477 -16.864 -4.240 409 HZ2 LYS 49 1HZ LYS 49 -0.282 -15.823 -3.845 410 HZ3 LYS 49 2HZ LYS 49 -1.211 -15.542 -5.161 411 H THR 50 H THR 50 -5.215 -11.887 -1.226 412 HA THR 50 HA THR 50 -8.159 -12.504 -1.047 413 HB THR 50 HB THR 50 -7.795 -13.854 0.794 414 HG1 THR 50 HG1 THR 50 -6.508 -12.820 2.156 415 HG21 THR 50 3HG2 THR 50 -5.168 -14.318 -0.654 416 HG22 THR 50 1HG2 THR 50 -6.743 -14.829 -1.320 417 HG23 THR 50 2HG2 THR 50 -6.162 -15.494 0.224 418 H GLY 51 H GLY 51 -5.686 -10.349 0.000 419 HA2 GLY 51 1HA GLY 51 -6.911 -9.277 2.367 420 HA3 GLY 51 2HA GLY 51 -5.582 -8.562 1.448 421 H SER 52 H SER 52 -8.071 -7.510 2.647 422 HA SER 52 HA SER 52 -9.679 -6.478 0.492 423 HB2 SER 52 1HB SER 52 -11.031 -6.172 2.190 424 HB3 SER 52 2HB SER 52 -9.763 -6.632 3.324 425 HG SER 52 HG SER 52 -10.800 -4.484 3.580 426 H VAL 53 H VAL 53 -10.025 -4.070 0.348 427 HA VAL 53 HA VAL 53 -7.930 -2.608 -0.789 428 HB VAL 53 HB VAL 53 -10.183 -1.967 -1.142 429 HG11 VAL 53 1HG1 VAL 53 -10.532 -1.338 1.778 430 HG12 VAL 53 2HG1 VAL 53 -11.696 -1.131 0.470 431 HG13 VAL 53 3HG1 VAL 53 -11.199 -2.751 0.935 432 HG21 VAL 53 3HG2 VAL 53 -8.441 -0.089 -0.964 433 HG22 VAL 53 1HG2 VAL 53 -10.139 0.384 -0.839 434 HG23 VAL 53 2HG2 VAL 53 -9.138 0.281 0.614 435 H PHE 54 H PHE 54 -9.074 -2.464 2.563 436 HA PHE 54 HA PHE 54 -7.263 -0.441 3.492 437 HB2 PHE 54 1HB PHE 54 -8.757 -2.657 4.929 438 HB3 PHE 54 2HB PHE 54 -7.914 -1.347 5.746 439 HD1 PHE 54 HD2 PHE 54 -8.702 1.156 4.752 440 HD2 PHE 54 HD1 PHE 54 -11.075 -2.439 4.743 441 HE1 PHE 54 HE2 PHE 54 -10.770 2.510 4.617 442 HE2 PHE 54 HE1 PHE 54 -13.145 -1.048 4.714 443 HZ PHE 54 HZ PHE 54 -12.984 1.420 4.723 444 H GLU 55 H GLU 55 -7.009 -3.946 3.166 445 HA GLU 55 HA GLU 55 -4.469 -4.193 4.587 446 HB2 GLU 55 1HB GLU 55 -5.843 -6.187 2.739 447 HB3 GLU 55 2HB GLU 55 -4.482 -6.474 3.809 448 HG2 GLU 55 1HG GLU 55 -5.849 -5.948 5.781 449 HG3 GLU 55 2HG GLU 55 -7.239 -5.608 4.746 450 H ILE 56 H ILE 56 -5.331 -4.256 1.049 451 HA ILE 56 HA ILE 56 -2.781 -4.485 -0.044 452 HB ILE 56 HB ILE 56 -5.172 -2.881 -0.956 453 HG12 ILE 56 1HG1 ILE 56 -5.391 -5.340 -0.822 454 HG13 ILE 56 2HG1 ILE 56 -5.595 -4.698 -2.446 455 HG21 ILE 56 1HG2 ILE 56 -4.159 -2.803 -3.193 456 HG22 ILE 56 2HG2 ILE 56 -3.319 -1.785 -2.053 457 HG23 ILE 56 3HG2 ILE 56 -2.598 -3.336 -2.515 458 HD11 ILE 56 3HD1 ILE 56 -3.162 -6.159 -1.349 459 HD12 ILE 56 1HD1 ILE 56 -4.369 -6.752 -2.505 460 HD13 ILE 56 2HD1 ILE 56 -3.264 -5.451 -2.977 461 H ALA 57 H ALA 57 -4.380 -1.407 0.831 462 HA ALA 57 HA ALA 57 -2.153 0.286 0.278 463 HB1 ALA 57 3HB ALA 57 -4.253 1.319 0.617 464 HB2 ALA 57 1HB ALA 57 -4.548 0.429 2.130 465 HB3 ALA 57 2HB ALA 57 -3.358 1.737 2.092 466 H GLU 58 H GLU 58 -2.939 -1.467 3.344 467 HA GLU 58 HA GLU 58 -0.651 -0.507 4.788 468 HB2 GLU 58 1HB GLU 58 -2.500 -2.887 5.113 469 HB3 GLU 58 2HB GLU 58 -1.075 -2.692 6.107 470 HG2 GLU 58 1HG GLU 58 -1.995 -0.272 6.538 471 HG3 GLU 58 2HG GLU 58 -3.505 -0.894 5.948 472 H VAL 59 H VAL 59 -1.031 -3.314 2.614 473 HA VAL 59 HA VAL 59 1.458 -4.571 3.194 474 HB VAL 59 HB VAL 59 -0.110 -4.544 0.583 475 HG11 VAL 59 1HG1 VAL 59 1.233 -6.882 0.554 476 HG12 VAL 59 2HG1 VAL 59 1.888 -5.404 -0.179 477 HG13 VAL 59 3HG1 VAL 59 2.409 -5.921 1.439 478 HG21 VAL 59 3HG2 VAL 59 -0.028 -6.928 2.395 479 HG22 VAL 59 1HG2 VAL 59 -1.043 -5.594 2.893 480 HG23 VAL 59 2HG2 VAL 59 -1.287 -6.309 1.293 481 H LEU 60 H LEU 60 0.740 -2.420 0.405 482 HA LEU 60 HA LEU 60 3.488 -2.216 -0.382 483 HB2 LEU 60 1HB LEU 60 2.560 -1.426 -2.166 484 HB3 LEU 60 2HB LEU 60 0.989 -1.392 -1.430 485 HG LEU 60 HG LEU 60 2.936 0.954 -1.207 486 HD11 LEU 60 1HD1 LEU 60 2.652 0.417 -3.486 487 HD12 LEU 60 2HD1 LEU 60 1.824 1.911 -3.100 488 HD13 LEU 60 3HD1 LEU 60 0.873 0.411 -3.334 489 HD21 LEU 60 3HD2 LEU 60 1.218 1.371 0.340 490 HD22 LEU 60 1HD2 LEU 60 0.006 0.510 -0.610 491 HD23 LEU 60 2HD2 LEU 60 0.579 2.120 -1.085 492 H ARG 61 H ARG 61 1.611 -0.354 1.920 493 HA ARG 61 HA ARG 61 3.359 1.866 2.343 494 HB2 ARG 61 1HB ARG 61 1.139 1.886 3.265 495 HB3 ARG 61 2HB ARG 61 1.378 0.342 4.047 496 HG2 ARG 61 1HG ARG 61 3.180 1.581 5.504 497 HG3 ARG 61 2HG ARG 61 2.374 3.031 4.943 498 HD2 ARG 61 1HD ARG 61 1.184 2.597 6.830 499 HD3 ARG 61 2HD ARG 61 0.193 1.687 5.678 500 HE ARG 61 HE ARG 61 2.035 -0.199 6.626 501 HH11 ARG 61 1HH1 ARG 61 -0.666 1.646 7.980 502 HH12 ARG 61 2HH1 ARG 61 -1.060 0.278 9.001 503 HH21 ARG 61 1HH2 ARG 61 1.484 -1.670 7.934 504 HH22 ARG 61 2HH2 ARG 61 -0.090 -1.599 8.757 505 H ASP 62 H ASP 62 3.195 -1.216 4.171 506 HA ASP 62 HA ASP 62 5.507 -0.700 5.726 507 HB2 ASP 62 1HB ASP 62 4.070 -3.229 4.913 508 HB3 ASP 62 2HB ASP 62 5.575 -3.305 5.844 509 H LEU 63 H LEU 63 5.259 -2.356 2.550 510 HA LEU 63 HA LEU 63 7.996 -2.951 2.107 511 HB2 LEU 63 1HB LEU 63 5.700 -2.271 0.283 512 HB3 LEU 63 2HB LEU 63 7.299 -2.565 -0.367 513 HG LEU 63 HG LEU 63 6.182 -4.657 1.498 514 HD11 LEU 63 1HD1 LEU 63 5.323 -5.641 -0.857 515 HD12 LEU 63 2HD1 LEU 63 5.047 -3.926 -1.183 516 HD13 LEU 63 3HD1 LEU 63 4.296 -4.710 0.226 517 HD21 LEU 63 3HD2 LEU 63 7.425 -6.112 -0.111 518 HD22 LEU 63 1HD2 LEU 63 8.458 -4.862 0.605 519 HD23 LEU 63 2HD2 LEU 63 7.839 -4.682 -1.056 520 H TYR 64 H TYR 64 6.292 0.174 1.534 521 HA TYR 64 HA TYR 64 8.629 1.513 0.460 522 HB2 TYR 64 1HB TYR 64 5.894 2.342 1.290 523 HB3 TYR 64 2HB TYR 64 7.139 3.572 1.319 524 HD1 TYR 64 HD1 TYR 64 8.708 3.732 -0.817 525 HD2 TYR 64 HD2 TYR 64 4.778 1.982 -0.765 526 HE1 TYR 64 HE1 TYR 64 8.450 4.195 -3.263 527 HE2 TYR 64 HE2 TYR 64 4.571 2.378 -3.199 528 HH TYR 64 HH TYR 64 6.856 4.368 -4.984 529 H LEU 65 H LEU 65 7.149 1.609 3.753 530 HA LEU 65 HA LEU 65 9.236 3.341 4.791 531 HB2 LEU 65 1HB LEU 65 7.175 1.606 6.204 532 HB3 LEU 65 2HB LEU 65 8.399 2.543 7.040 533 HG LEU 65 HG LEU 65 7.456 4.596 5.622 534 HD11 LEU 65 1HD1 LEU 65 5.895 3.530 4.213 535 HD12 LEU 65 2HD1 LEU 65 4.947 4.365 5.448 536 HD13 LEU 65 3HD1 LEU 65 5.195 2.611 5.551 537 HD21 LEU 65 3HD2 LEU 65 7.277 4.951 7.855 538 HD22 LEU 65 1HD2 LEU 65 6.612 3.358 8.205 539 HD23 LEU 65 2HD2 LEU 65 5.564 4.626 7.556 540 H LEU 66 H LEU 66 9.133 -0.111 4.346 541 HA LEU 66 HA LEU 66 11.109 -1.034 6.096 542 HB2 LEU 66 1HB LEU 66 9.824 -1.867 3.573 543 HB3 LEU 66 2HB LEU 66 11.473 -2.430 3.626 544 HG LEU 66 HG LEU 66 9.768 -2.753 6.086 545 HD11 LEU 66 1HD1 LEU 66 8.954 -4.892 5.281 546 HD12 LEU 66 2HD1 LEU 66 9.634 -4.569 3.660 547 HD13 LEU 66 3HD1 LEU 66 8.315 -3.585 4.314 548 HD21 LEU 66 3HD2 LEU 66 11.880 -4.521 4.790 549 HD22 LEU 66 1HD2 LEU 66 11.183 -4.697 6.416 550 HD23 LEU 66 2HD2 LEU 66 12.221 -3.313 6.047 551 H LYS 67 H LYS 67 11.633 0.275 2.846 552 HA LYS 67 HA LYS 67 14.563 0.256 3.044 553 HB2 LYS 67 1HB LYS 67 13.005 0.129 0.955 554 HB3 LYS 67 2HB LYS 67 12.836 1.868 1.145 555 HG2 LYS 67 1HG LYS 67 14.489 1.695 -0.435 556 HG3 LYS 67 2HG LYS 67 15.455 1.937 1.006 557 HD2 LYS 67 1HD LYS 67 14.877 -0.929 0.414 558 HD3 LYS 67 2HD LYS 67 15.712 -0.128 -0.894 559 HE2 LYS 67 1HE LYS 67 16.773 0.246 1.906 560 HE3 LYS 67 2HE LYS 67 16.968 -1.335 1.138 561 HZ1 LYS 67 3HZ LYS 67 18.865 0.078 0.654 562 HZ2 LYS 67 1HZ LYS 67 17.919 1.218 -0.042 563 HZ3 LYS 67 2HZ LYS 67 18.066 -0.261 -0.726 564 H GLY 68 H GLY 68 11.985 2.477 3.748 565 HA2 GLY 68 1HA GLY 68 11.948 4.458 4.975 566 HA3 GLY 68 2HA GLY 68 13.708 4.457 5.061 567 H ASP 69 H ASP 69 12.562 4.064 1.839 568 HA ASP 69 HA ASP 69 12.272 6.857 1.145 569 HB2 ASP 69 1HB ASP 69 14.885 6.140 1.397 570 HB3 ASP 69 2HB ASP 69 14.606 5.573 -0.244 571 H LYS 70 H LYS 70 12.130 7.058 -1.340 572 HA LYS 70 HA LYS 70 10.364 4.957 -2.411 573 HB2 LYS 70 1HB LYS 70 10.237 6.334 -4.461 574 HB3 LYS 70 2HB LYS 70 9.738 7.127 -3.021 575 HG2 LYS 70 1HG LYS 70 10.952 8.791 -3.994 576 HG3 LYS 70 2HG LYS 70 12.178 8.129 -2.945 577 HD2 LYS 70 1HD LYS 70 13.190 8.599 -5.031 578 HD3 LYS 70 2HD LYS 70 13.125 6.852 -4.924 579 HE2 LYS 70 1HE LYS 70 10.767 8.214 -6.192 580 HE3 LYS 70 2HE LYS 70 12.283 8.375 -7.072 581 HZ1 LYS 70 3HZ LYS 70 12.430 6.060 -7.363 582 HZ2 LYS 70 1HZ LYS 70 10.861 6.384 -7.653 583 HZ3 LYS 70 2HZ LYS 70 11.300 5.700 -6.234 584 H ASP 71 H ASP 71 13.680 5.400 -2.416 585 HA ASP 71 HA ASP 71 14.290 3.999 -4.911 586 HB2 ASP 71 1HB ASP 71 15.669 5.842 -3.917 587 HB3 ASP 71 2HB ASP 71 16.118 4.760 -2.600 588 H LEU 72 H LEU 72 12.638 2.341 -3.912 589 HA LEU 72 HA LEU 72 13.484 0.365 -2.032 590 HB2 LEU 72 1HB LEU 72 11.574 0.112 -4.393 591 HB3 LEU 72 2HB LEU 72 11.775 -1.085 -3.117 592 HG LEU 72 HG LEU 72 10.610 1.705 -2.846 593 HD11 LEU 72 1HD1 LEU 72 9.375 -0.880 -1.883 594 HD12 LEU 72 2HD1 LEU 72 9.337 -0.468 -3.599 595 HD13 LEU 72 3HD1 LEU 72 8.611 0.639 -2.415 596 HD21 LEU 72 3HD2 LEU 72 10.294 0.967 -0.411 597 HD22 LEU 72 1HD2 LEU 72 11.901 1.474 -0.875 598 HD23 LEU 72 2HD2 LEU 72 11.506 -0.271 -0.713 599 H SER 73 H SER 73 14.108 -1.786 -2.331 600 HA SER 73 HA SER 73 16.145 -2.233 -4.430 601 HB2 SER 73 1HB SER 73 15.201 -3.926 -2.075 602 HB3 SER 73 2HB SER 73 16.568 -4.322 -3.134 603 HG SER 73 HG SER 73 17.623 -2.453 -2.451 604 H PHE 74 H PHE 74 16.156 -4.312 -5.620 605 HA PHE 74 HA PHE 74 13.870 -4.859 -7.156 606 HB2 PHE 74 1HB PHE 74 16.196 -5.464 -7.733 607 HB3 PHE 74 2HB PHE 74 16.199 -6.698 -6.482 608 HD1 PHE 74 HD1 PHE 74 14.763 -5.710 -9.774 609 HD2 PHE 74 HD2 PHE 74 15.158 -8.870 -6.861 610 HE1 PHE 74 HE1 PHE 74 13.872 -7.343 -11.419 611 HE2 PHE 74 HE2 PHE 74 14.270 -10.498 -8.512 612 HZ PHE 74 HZ PHE 74 13.621 -9.737 -10.790 613 H GLY 75 H GLY 75 14.914 -6.455 -4.151 614 HA2 GLY 75 1HA GLY 75 13.017 -8.552 -4.050 615 HA3 GLY 75 2HA GLY 75 13.811 -7.830 -2.644 616 H GLU 76 H GLU 76 12.737 -5.306 -2.398 617 HA GLU 76 HA GLU 76 9.981 -5.818 -1.640 618 HB2 GLU 76 1HB GLU 76 11.586 -3.233 -1.788 619 HB3 GLU 76 2HB GLU 76 9.908 -3.312 -1.291 620 HG2 GLU 76 1HG GLU 76 10.645 -3.619 0.798 621 HG3 GLU 76 2HG GLU 76 10.966 -5.277 0.324 622 H ARG 77 H ARG 77 11.436 -4.118 -4.431 623 HA ARG 77 HA ARG 77 9.106 -3.055 -5.588 624 HB2 ARG 77 1HB ARG 77 11.512 -2.698 -6.321 625 HB3 ARG 77 2HB ARG 77 11.423 -4.256 -7.130 626 HG2 ARG 77 1HG ARG 77 10.930 -2.913 -8.887 627 HG3 ARG 77 2HG ARG 77 9.297 -3.200 -8.346 628 HD2 ARG 77 1HD ARG 77 8.950 -1.012 -7.966 629 HD3 ARG 77 2HD ARG 77 10.360 -0.873 -6.927 630 HE ARG 77 HE ARG 77 10.145 -0.150 -9.738 631 HH11 ARG 77 1HH1 ARG 77 12.545 -1.085 -7.369 632 HH12 ARG 77 2HH1 ARG 77 13.862 -0.487 -8.335 633 HH21 ARG 77 1HH2 ARG 77 11.861 0.625 -10.902 634 HH22 ARG 77 2HH2 ARG 77 13.474 0.450 -10.285 635 H LYS 78 H LYS 78 10.296 -6.377 -5.868 636 HA LYS 78 HA LYS 78 8.584 -7.440 -7.830 637 HB2 LYS 78 1HB LYS 78 9.680 -8.657 -5.273 638 HB3 LYS 78 2HB LYS 78 8.715 -9.584 -6.402 639 HG2 LYS 78 1HG LYS 78 10.912 -8.097 -7.724 640 HG3 LYS 78 2HG LYS 78 11.497 -9.228 -6.511 641 HD2 LYS 78 1HD LYS 78 9.447 -10.166 -8.545 642 HD3 LYS 78 2HD LYS 78 11.119 -9.946 -9.031 643 HE2 LYS 78 1HE LYS 78 10.687 -12.271 -8.420 644 HE3 LYS 78 2HE LYS 78 11.943 -11.535 -7.427 645 HZ1 LYS 78 3HZ LYS 78 10.348 -11.326 -5.624 646 HZ2 LYS 78 1HZ LYS 78 10.373 -12.874 -6.124 647 HZ3 LYS 78 2HZ LYS 78 9.126 -11.918 -6.553 648 H MET 79 H MET 79 7.797 -7.424 -4.332 649 HA MET 79 HA MET 79 5.014 -8.219 -4.910 650 HB2 MET 79 1HB MET 79 6.294 -8.941 -2.825 651 HB3 MET 79 2HB MET 79 6.123 -7.275 -2.254 652 HG2 MET 79 1HG MET 79 3.523 -7.802 -2.913 653 HG3 MET 79 2HG MET 79 4.066 -9.443 -2.616 654 HE1 MET 79 3HE MET 79 6.222 -8.926 -0.276 655 HE2 MET 79 1HE MET 79 5.219 -9.099 1.169 656 HE3 MET 79 2HE MET 79 5.016 -10.236 -0.181 657 H LEU 80 H LEU 80 6.718 -5.210 -3.979 658 HA LEU 80 HA LEU 80 4.520 -3.526 -3.521 659 HB2 LEU 80 1HB LEU 80 6.924 -2.895 -3.184 660 HB3 LEU 80 2HB LEU 80 7.114 -2.871 -4.936 661 HG LEU 80 HG LEU 80 4.963 -1.184 -4.649 662 HD11 LEU 80 1HD1 LEU 80 5.151 -1.463 -2.164 663 HD12 LEU 80 2HD1 LEU 80 5.056 0.161 -2.823 664 HD13 LEU 80 3HD1 LEU 80 6.622 -0.475 -2.262 665 HD21 LEU 80 3HD2 LEU 80 6.481 -0.290 -6.011 666 HD22 LEU 80 1HD2 LEU 80 7.855 -0.751 -5.029 667 HD23 LEU 80 2HD2 LEU 80 6.882 0.666 -4.571 668 H ASP 81 H ASP 81 6.099 -4.176 -6.712 669 HA ASP 81 HA ASP 81 4.495 -2.576 -8.360 670 HB2 ASP 81 1HB ASP 81 6.519 -3.725 -9.085 671 HB3 ASP 81 2HB ASP 81 5.757 -5.299 -8.846 672 H THR 82 H THR 82 3.730 -5.776 -7.024 673 HA THR 82 HA THR 82 1.246 -6.088 -8.510 674 HB THR 82 HB THR 82 1.762 -7.589 -5.960 675 HG1 THR 82 HG1 THR 82 3.253 -7.860 -8.341 676 HG21 THR 82 3HG2 THR 82 0.840 -9.436 -7.289 677 HG22 THR 82 1HG2 THR 82 0.900 -8.456 -8.768 678 HG23 THR 82 2HG2 THR 82 -0.227 -8.026 -7.469 679 H ALA 83 H ALA 83 2.037 -5.244 -5.084 680 HA ALA 83 HA ALA 83 -0.674 -4.718 -4.304 681 HB1 ALA 83 3HB ALA 83 1.851 -3.520 -3.111 682 HB2 ALA 83 1HB ALA 83 0.259 -3.736 -2.329 683 HB3 ALA 83 2HB ALA 83 1.247 -5.147 -2.747 684 H ARG 84 H ARG 84 1.721 -2.624 -5.841 685 HA ARG 84 HA ARG 84 0.458 -0.061 -5.681 686 HB2 ARG 84 1HB ARG 84 2.280 -1.380 -7.728 687 HB3 ARG 84 2HB ARG 84 1.697 0.251 -7.977 688 HG2 ARG 84 1HG ARG 84 3.036 -0.425 -5.375 689 HG3 ARG 84 2HG ARG 84 4.028 -0.298 -6.808 690 HD2 ARG 84 1HD ARG 84 2.299 2.026 -6.747 691 HD3 ARG 84 2HD ARG 84 2.986 1.829 -5.155 692 HE ARG 84 HE ARG 84 5.023 2.523 -5.940 693 HH11 ARG 84 1HH1 ARG 84 3.202 1.591 -8.789 694 HH12 ARG 84 2HH1 ARG 84 4.528 1.924 -9.854 695 HH21 ARG 84 1HH2 ARG 84 6.649 2.939 -7.333 696 HH22 ARG 84 2HH2 ARG 84 6.435 2.693 -9.046 697 H SER 85 H SER 85 0.221 -2.515 -8.242 698 HA SER 85 HA SER 85 -1.713 -1.221 -9.870 699 HB2 SER 85 1HB SER 85 -0.318 -3.217 -10.491 700 HB3 SER 85 2HB SER 85 -1.390 -4.217 -9.485 701 HG SER 85 HG SER 85 -2.060 -4.223 -11.676 702 H LEU 86 H LEU 86 -2.152 -2.956 -6.864 703 HA LEU 86 HA LEU 86 -5.103 -2.933 -7.136 704 HB2 LEU 86 1HB LEU 86 -3.199 -4.039 -5.053 705 HB3 LEU 86 2HB LEU 86 -4.955 -4.104 -4.886 706 HG LEU 86 HG LEU 86 -3.496 -5.296 -7.285 707 HD11 LEU 86 1HD1 LEU 86 -2.744 -6.278 -5.155 708 HD12 LEU 86 2HD1 LEU 86 -3.581 -7.408 -6.229 709 HD13 LEU 86 3HD1 LEU 86 -4.428 -6.747 -4.811 710 HD21 LEU 86 3HD2 LEU 86 -6.333 -5.092 -6.424 711 HD22 LEU 86 1HD2 LEU 86 -5.832 -6.737 -6.820 712 HD23 LEU 86 2HD2 LEU 86 -5.632 -5.457 -8.021 713 H LEU 87 H LEU 87 -2.587 -1.333 -5.150 714 HA LEU 87 HA LEU 87 -4.104 0.092 -3.332 715 HB2 LEU 87 1HB LEU 87 -1.642 0.244 -3.421 716 HB3 LEU 87 2HB LEU 87 -1.721 1.035 -5.000 717 HG LEU 87 HG LEU 87 -3.060 2.924 -3.860 718 HD11 LEU 87 1HD1 LEU 87 -1.758 1.714 -1.401 719 HD12 LEU 87 2HD1 LEU 87 -3.501 1.712 -1.715 720 HD13 LEU 87 3HD1 LEU 87 -2.641 3.247 -1.484 721 HD21 LEU 87 3HD2 LEU 87 -0.752 3.038 -4.720 722 HD22 LEU 87 1HD2 LEU 87 -0.210 2.594 -3.092 723 HD23 LEU 87 2HD2 LEU 87 -1.132 4.086 -3.351 724 H ILE 88 H ILE 88 -3.271 1.225 -6.619 725 HA ILE 88 HA ILE 88 -5.113 3.419 -6.373 726 HB ILE 88 HB ILE 88 -4.501 4.205 -8.387 727 HG12 ILE 88 1HG1 ILE 88 -5.076 2.311 -9.854 728 HG13 ILE 88 2HG1 ILE 88 -3.525 3.034 -10.265 729 HG21 ILE 88 1HG2 ILE 88 -1.998 2.643 -7.701 730 HG22 ILE 88 2HG2 ILE 88 -2.174 4.244 -8.469 731 HG23 ILE 88 3HG2 ILE 88 -2.599 4.005 -6.771 732 HD11 ILE 88 3HD1 ILE 88 -3.791 0.505 -8.627 733 HD12 ILE 88 1HD1 ILE 88 -3.617 0.533 -10.390 734 HD13 ILE 88 2HD1 ILE 88 -2.318 1.170 -9.376 735 H LYS 89 H LYS 89 -5.665 0.190 -7.152 736 HA LYS 89 HA LYS 89 -7.776 0.375 -9.113 737 HB2 LYS 89 1HB LYS 89 -6.397 -1.648 -8.495 738 HB3 LYS 89 2HB LYS 89 -7.395 -1.850 -7.055 739 HG2 LYS 89 1HG LYS 89 -9.274 -2.476 -8.190 740 HG3 LYS 89 2HG LYS 89 -8.798 -1.681 -9.698 741 HD2 LYS 89 1HD LYS 89 -7.411 -4.144 -8.552 742 HD3 LYS 89 2HD LYS 89 -8.685 -4.181 -9.777 743 HE2 LYS 89 1HE LYS 89 -7.014 -2.332 -10.900 744 HE3 LYS 89 2HE LYS 89 -5.821 -3.273 -10.010 745 HZ1 LYS 89 3HZ LYS 89 -6.567 -5.249 -11.199 746 HZ2 LYS 89 1HZ LYS 89 -6.207 -4.088 -12.292 747 HZ3 LYS 89 2HZ LYS 89 -7.766 -4.418 -11.946 748 H GLU 90 H GLU 90 -7.861 0.157 -5.589 749 HA GLU 90 HA GLU 90 -10.799 0.210 -5.487 750 HB2 GLU 90 1HB GLU 90 -9.033 0.759 -3.110 751 HB3 GLU 90 2HB GLU 90 -10.629 0.055 -3.189 752 HG2 GLU 90 1HG GLU 90 -9.729 -1.980 -3.147 753 HG3 GLU 90 2HG GLU 90 -9.165 -1.726 -4.748 754 H LEU 91 H LEU 91 -8.130 2.345 -4.588 755 HA LEU 91 HA LEU 91 -9.572 4.671 -3.900 756 HB2 LEU 91 1HB LEU 91 -6.716 4.275 -4.902 757 HB3 LEU 91 2HB LEU 91 -7.341 5.756 -4.165 758 HG LEU 91 HG LEU 91 -7.190 3.048 -2.748 759 HD11 LEU 91 1HD1 LEU 91 -5.432 5.516 -2.632 760 HD12 LEU 91 2HD1 LEU 91 -4.972 3.849 -3.003 761 HD13 LEU 91 3HD1 LEU 91 -5.451 4.267 -1.364 762 HD21 LEU 91 3HD2 LEU 91 -7.470 5.110 -0.890 763 HD22 LEU 91 1HD2 LEU 91 -8.748 3.998 -1.446 764 HD23 LEU 91 2HD2 LEU 91 -8.535 5.584 -2.187 765 H SER 92 H SER 92 -8.806 3.478 -7.029 766 HA SER 92 HA SER 92 -8.889 5.611 -8.747 767 HB2 SER 92 1HB SER 92 -9.902 2.810 -8.999 768 HB3 SER 92 2HB SER 92 -10.337 3.970 -10.260 769 HG SER 92 HG SER 92 -7.741 3.320 -9.340 770 H LEU 93 H LEU 93 -11.586 4.498 -6.877 771 HA LEU 93 HA LEU 93 -13.711 5.748 -8.270 772 HB2 LEU 93 1HB LEU 93 -13.299 4.334 -5.786 773 HB3 LEU 93 2HB LEU 93 -14.210 5.778 -5.418 774 HG LEU 93 HG LEU 93 -15.746 4.063 -5.797 775 HD11 LEU 93 1HD1 LEU 93 -17.188 5.072 -7.319 776 HD12 LEU 93 2HD1 LEU 93 -15.888 5.525 -8.438 777 HD13 LEU 93 3HD1 LEU 93 -16.068 6.392 -6.899 778 HD21 LEU 93 3HD2 LEU 93 -14.570 3.540 -8.562 779 HD22 LEU 93 1HD2 LEU 93 -15.878 2.652 -7.745 780 HD23 LEU 93 2HD2 LEU 93 -14.221 2.563 -7.122 781 H ALA 94 H ALA 94 -12.323 6.936 -5.239 782 HA ALA 94 HA ALA 94 -13.250 9.640 -5.632 783 HB1 ALA 94 3HB ALA 94 -12.721 8.331 -3.417 784 HB2 ALA 94 1HB ALA 94 -11.071 8.951 -3.689 785 HB3 ALA 94 2HB ALA 94 -12.419 10.078 -3.501 786 H LYS 95 H LYS 95 -10.293 8.076 -6.620 787 HA LYS 95 HA LYS 95 -8.451 10.172 -6.873 788 HB2 LYS 95 1HB LYS 95 -7.285 8.563 -7.747 789 HB3 LYS 95 2HB LYS 95 -8.713 7.545 -7.883 790 HG2 LYS 95 1HG LYS 95 -9.103 8.455 -10.171 791 HG3 LYS 95 2HG LYS 95 -7.607 9.395 -10.009 792 HD2 LYS 95 1HD LYS 95 -6.376 7.660 -10.667 793 HD3 LYS 95 2HD LYS 95 -7.058 6.588 -9.456 794 HE2 LYS 95 1HE LYS 95 -8.924 6.008 -10.876 795 HE3 LYS 95 2HE LYS 95 -8.490 7.239 -12.059 796 HZ1 LYS 95 3HZ LYS 95 -6.836 4.868 -11.397 797 HZ2 LYS 95 1HZ LYS 95 -6.473 5.999 -12.552 798 HZ3 LYS 95 2HZ LYS 95 -7.764 5.010 -12.718 799 H ASP 96 H ASP 96 -11.090 9.406 -9.070 800 HA ASP 96 HA ASP 96 -11.963 10.397 -10.927 801 HB2 ASP 96 1HB ASP 96 -12.829 11.622 -8.913 802 HB3 ASP 96 2HB ASP 96 -11.672 12.905 -9.256 803 H CYS 97 H CYS 97 -9.140 10.091 -11.199 804 HA CYS 97 HA CYS 97 -8.436 11.938 -13.327 805 HB2 CYS 97 1HB CYS 97 -7.919 12.977 -10.903 806 HB3 CYS 97 2HB CYS 97 -6.485 11.948 -11.023 807 HG CYS 97 HG CYS 97 -7.646 13.912 -13.435 808 H SER 98 H SER 98 -5.656 11.494 -13.320 809 HA SER 98 HA SER 98 -5.426 8.793 -14.417 810 HB2 SER 98 1HB SER 98 -4.185 10.965 -15.119 811 HB3 SER 98 2HB SER 98 -3.100 10.620 -13.757 812 HG SER 98 HG SER 98 -2.658 9.694 -15.997 813 H GLU 99 H GLU 99 -3.657 7.264 -13.678 814 HA GLU 99 HA GLU 99 -4.011 6.449 -10.940 815 HB2 GLU 99 1HB GLU 99 -1.791 5.744 -12.893 816 HB3 GLU 99 2HB GLU 99 -2.023 4.987 -11.303 817 HG2 GLU 99 1HG GLU 99 -4.340 4.321 -12.014 818 HG3 GLU 99 2HG GLU 99 -4.001 4.937 -13.629 819 H ASP 100 H ASP 100 -1.734 8.659 -12.348 820 HA ASP 100 HA ASP 100 0.267 8.920 -10.367 821 HB2 ASP 100 1HB ASP 100 -0.993 10.776 -12.394 822 HB3 ASP 100 2HB ASP 100 -0.024 11.490 -11.123 823 H GLU 101 H GLU 101 -3.158 9.944 -10.124 824 HA GLU 101 HA GLU 101 -2.868 11.870 -8.080 825 HB2 GLU 101 1HB GLU 101 -4.954 10.871 -9.518 826 HB3 GLU 101 2HB GLU 101 -5.200 9.956 -8.045 827 HG2 GLU 101 1HG GLU 101 -6.499 11.978 -8.076 828 HG3 GLU 101 2HG GLU 101 -5.330 12.041 -6.754 829 H ILE 102 H ILE 102 -3.447 8.368 -7.800 830 HA ILE 102 HA ILE 102 -2.951 8.326 -4.906 831 HB ILE 102 HB ILE 102 -3.533 6.134 -6.857 832 HG12 ILE 102 1HG1 ILE 102 -5.517 6.821 -4.747 833 HG13 ILE 102 2HG1 ILE 102 -5.295 8.135 -5.873 834 HG21 ILE 102 1HG2 ILE 102 -4.035 4.795 -4.820 835 HG22 ILE 102 2HG2 ILE 102 -2.331 5.248 -4.902 836 HG23 ILE 102 3HG2 ILE 102 -3.411 6.117 -3.803 837 HD11 ILE 102 3HD1 ILE 102 -7.053 6.599 -6.616 838 HD12 ILE 102 1HD1 ILE 102 -5.698 6.702 -7.776 839 HD13 ILE 102 2HD1 ILE 102 -5.891 5.286 -6.736 840 H GLU 103 H GLU 103 -1.261 7.165 -7.882 841 HA GLU 103 HA GLU 103 0.838 5.793 -6.585 842 HB2 GLU 103 1HB GLU 103 0.426 7.014 -9.293 843 HB3 GLU 103 2HB GLU 103 2.084 6.722 -8.835 844 HG2 GLU 103 1HG GLU 103 1.516 4.355 -8.278 845 HG3 GLU 103 2HG GLU 103 -0.125 4.642 -8.848 846 H SER 104 H SER 104 0.674 9.263 -7.628 847 HA SER 104 HA SER 104 3.269 9.927 -6.464 848 HB2 SER 104 1HB SER 104 2.135 11.059 -8.478 849 HB3 SER 104 2HB SER 104 1.156 11.930 -7.276 850 HG SER 104 HG SER 104 3.135 13.002 -7.957 851 H ASP 105 H ASP 105 0.006 9.679 -5.160 852 HA ASP 105 HA ASP 105 0.505 11.519 -2.950 853 HB2 ASP 105 1HB ASP 105 -1.603 9.502 -3.637 854 HB3 ASP 105 2HB ASP 105 -1.335 9.752 -1.933 855 H LEU 106 H LEU 106 1.542 8.262 -3.620 856 HA LEU 106 HA LEU 106 2.033 7.354 -0.985 857 HB2 LEU 106 1HB LEU 106 3.714 6.847 -3.484 858 HB3 LEU 106 2HB LEU 106 3.748 5.883 -2.019 859 HG LEU 106 HG LEU 106 1.337 6.211 -3.845 860 HD11 LEU 106 1HD1 LEU 106 3.225 4.889 -4.786 861 HD12 LEU 106 2HD1 LEU 106 1.746 3.945 -4.528 862 HD13 LEU 106 3HD1 LEU 106 3.099 3.822 -3.374 863 HD21 LEU 106 3HD2 LEU 106 1.438 5.395 -1.080 864 HD22 LEU 106 1HD2 LEU 106 1.159 3.973 -2.044 865 HD23 LEU 106 2HD2 LEU 106 0.081 5.389 -2.180 866 H LYS 107 H LYS 107 4.082 9.437 -3.013 867 HA LYS 107 HA LYS 107 6.245 9.551 -1.116 868 HB2 LYS 107 1HB LYS 107 7.101 11.274 -2.406 869 HB3 LYS 107 2HB LYS 107 6.419 10.131 -3.540 870 HG2 LYS 107 1HG LYS 107 4.987 11.661 -4.387 871 HG3 LYS 107 2HG LYS 107 4.471 12.243 -2.817 872 HD2 LYS 107 1HD LYS 107 5.526 14.159 -3.408 873 HD3 LYS 107 2HD LYS 107 7.002 13.329 -2.899 874 HE2 LYS 107 1HE LYS 107 6.703 12.333 -5.442 875 HE3 LYS 107 2HE LYS 107 5.909 13.895 -5.648 876 HZ1 LYS 107 3HZ LYS 107 7.956 14.957 -4.821 877 HZ2 LYS 107 1HZ LYS 107 8.299 14.024 -6.118 878 HZ3 LYS 107 2HZ LYS 107 8.672 13.497 -4.618 879 H LYS 108 H LYS 108 3.194 11.038 -1.075 880 HA LYS 108 HA LYS 108 3.868 13.118 0.949 881 HB2 LYS 108 1HB LYS 108 1.723 12.579 -1.026 882 HB3 LYS 108 2HB LYS 108 1.071 13.021 0.539 883 HG2 LYS 108 1HG LYS 108 1.962 15.143 0.502 884 HG3 LYS 108 2HG LYS 108 3.323 14.716 -0.542 885 HD2 LYS 108 1HD LYS 108 0.477 14.647 -1.606 886 HD3 LYS 108 2HD LYS 108 1.401 16.158 -1.541 887 HE2 LYS 108 1HE LYS 108 3.187 15.232 -2.899 888 HE3 LYS 108 2HE LYS 108 2.448 13.626 -2.889 889 HZ1 LYS 108 3HZ LYS 108 1.976 14.859 -4.945 890 HZ2 LYS 108 1HZ LYS 108 1.202 16.031 -4.111 891 HZ3 LYS 108 2HZ LYS 108 0.589 14.513 -4.149 892 H ILE 109 H ILE 109 2.351 9.980 0.710 893 HA ILE 109 HA ILE 109 1.390 9.926 3.478 894 HB ILE 109 HB ILE 109 1.749 7.705 1.444 895 HG12 ILE 109 1HG1 ILE 109 -0.906 8.940 2.343 896 HG13 ILE 109 2HG1 ILE 109 -0.035 9.679 1.028 897 HG21 ILE 109 1HG2 ILE 109 0.094 7.718 3.999 898 HG22 ILE 109 2HG2 ILE 109 0.323 6.384 2.835 899 HG23 ILE 109 3HG2 ILE 109 1.657 6.910 3.834 900 HD11 ILE 109 3HD1 ILE 109 -0.893 6.757 0.980 901 HD12 ILE 109 1HD1 ILE 109 -1.813 8.099 0.292 902 HD13 ILE 109 2HD1 ILE 109 -0.211 7.709 -0.354 903 H PHE 110 H PHE 110 4.060 8.218 1.744 904 HA PHE 110 HA PHE 110 5.219 7.330 4.307 905 HB2 PHE 110 1HB PHE 110 6.236 6.713 1.549 906 HB3 PHE 110 2HB PHE 110 6.461 5.778 3.017 907 HD1 PHE 110 HD2 PHE 110 3.650 5.511 4.020 908 HD2 PHE 110 HD1 PHE 110 5.223 5.205 -0.003 909 HE1 PHE 110 HE2 PHE 110 1.657 4.236 3.285 910 HE2 PHE 110 HE1 PHE 110 3.269 3.911 -0.667 911 HZ PHE 110 HZ PHE 110 1.421 3.499 0.947 912 H ASN 111 H ASN 111 5.572 10.094 2.617 913 HA ASN 111 HA ASN 111 7.067 11.768 2.343 914 HB2 ASN 111 1HB ASN 111 6.885 11.775 4.758 915 HB3 ASN 111 2HB ASN 111 8.255 10.659 4.885 916 HD21 ASN 111 2HD2 ASN 111 9.601 12.137 6.045 917 HD22 ASN 111 1HD2 ASN 111 10.211 13.592 5.262 918 H LEU 112 H LEU 112 7.790 10.953 0.346 919 HA LEU 112 HA LEU 112 10.552 9.789 0.319 920 HB2 LEU 112 1HB LEU 112 8.584 9.186 -1.825 921 HB3 LEU 112 2HB LEU 112 10.039 8.340 -1.318 922 HG LEU 112 HG LEU 112 7.593 8.365 0.473 923 HD11 LEU 112 1HD1 LEU 112 7.867 6.156 -1.526 924 HD12 LEU 112 2HD1 LEU 112 7.095 7.653 -2.040 925 HD13 LEU 112 3HD1 LEU 112 6.448 6.785 -0.672 926 HD21 LEU 112 3HD2 LEU 112 8.446 6.317 1.337 927 HD22 LEU 112 1HD2 LEU 112 9.861 7.369 1.182 928 HD23 LEU 112 2HD2 LEU 112 9.535 6.099 -0.023 929 H ALA 113 H ALA 113 11.765 11.475 -0.213 930 HA ALA 113 HA ALA 113 11.445 12.741 -2.870 931 HB1 ALA 113 3HB ALA 113 12.097 14.795 -0.863 932 HB2 ALA 113 1HB ALA 113 10.915 14.815 -2.185 933 HB3 ALA 113 2HB ALA 113 10.482 14.101 -0.624 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -21.157 -15.567 12.409 2 H2 GLY 1 2H GLY 1 -21.797 -17.064 12.568 3 H3 GLY 1 3H GLY 1 -21.448 -16.180 13.901 4 HA2 GLY 1 1HA GLY 1 -19.702 -17.714 13.796 5 HA3 GLY 1 2HA GLY 1 -19.597 -17.497 12.041 6 H SER 2 H SER 2 -18.090 -16.688 14.899 7 HA SER 2 HA SER 2 -17.078 -14.039 14.038 8 HB2 SER 2 1HB SER 2 -17.595 -14.458 16.408 9 HB3 SER 2 2HB SER 2 -16.343 -15.711 16.468 10 HG SER 2 HG SER 2 -14.824 -14.196 16.432 11 H HIS 3 H HIS 3 -15.683 -14.109 12.406 12 HA HIS 3 HA HIS 3 -13.312 -15.945 12.540 13 HB2 HIS 3 1HB HIS 3 -14.903 -14.968 10.143 14 HB3 HIS 3 2HB HIS 3 -13.216 -15.422 9.977 15 HD1 HIS 3 HD1 HIS 3 -15.937 -17.014 8.823 16 HD2 HIS 3 HD2 HIS 3 -13.120 -18.065 11.799 17 HE1 HIS 3 HE1 HIS 3 -15.924 -19.590 8.954 18 HE2 HIS 3 HE2 HIS 3 -14.220 -20.214 10.779 19 H MET 4 H MET 4 -11.342 -15.139 12.225 20 HA MET 4 HA MET 4 -10.961 -12.182 11.936 21 HB2 MET 4 1HB MET 4 -9.506 -14.103 13.807 22 HB3 MET 4 2HB MET 4 -8.930 -12.494 13.379 23 HG2 MET 4 1HG MET 4 -11.354 -11.756 14.226 24 HG3 MET 4 2HG MET 4 -11.233 -13.275 15.123 25 HE1 MET 4 3HE MET 4 -10.466 -13.253 17.440 26 HE2 MET 4 1HE MET 4 -9.730 -11.857 18.253 27 HE3 MET 4 2HE MET 4 -11.350 -11.707 17.534 28 H GLY 5 H GLY 5 -9.356 -11.542 10.616 29 HA2 GLY 5 1HA GLY 5 -7.010 -12.470 9.782 30 HA3 GLY 5 2HA GLY 5 -8.051 -13.530 8.827 31 H SER 6 H SER 6 -10.078 -11.911 8.045 32 HA SER 6 HA SER 6 -8.851 -9.756 6.376 33 HB2 SER 6 1HB SER 6 -10.703 -10.303 4.759 34 HB3 SER 6 2HB SER 6 -9.500 -11.575 4.985 35 HG SER 6 HG SER 6 -12.202 -11.532 5.715 36 H VAL 7 H VAL 7 -10.474 -8.127 5.611 37 HA VAL 7 HA VAL 7 -11.698 -6.863 7.927 38 HB VAL 7 HB VAL 7 -11.900 -5.931 5.049 39 HG11 VAL 7 1HG1 VAL 7 -12.066 -3.689 6.184 40 HG12 VAL 7 2HG1 VAL 7 -13.411 -4.752 6.582 41 HG13 VAL 7 3HG1 VAL 7 -12.092 -4.512 7.749 42 HG21 VAL 7 3HG2 VAL 7 -9.711 -5.375 7.099 43 HG22 VAL 7 1HG2 VAL 7 -9.516 -6.218 5.544 44 HG23 VAL 7 2HG2 VAL 7 -9.930 -4.507 5.566 45 H GLY 8 H GLY 8 -13.005 -8.213 4.905 46 HA2 GLY 8 1HA GLY 8 -15.148 -9.564 5.377 47 HA3 GLY 8 2HA GLY 8 -15.813 -8.036 5.950 48 H LEU 9 H LEU 9 -14.213 -6.661 3.668 49 HA LEU 9 HA LEU 9 -16.177 -7.141 1.483 50 HB2 LEU 9 1HB LEU 9 -15.454 -4.924 0.658 51 HB3 LEU 9 2HB LEU 9 -16.231 -4.896 2.208 52 HG LEU 9 HG LEU 9 -13.298 -5.074 2.504 53 HD11 LEU 9 1HD1 LEU 9 -14.521 -2.811 0.905 54 HD12 LEU 9 2HD1 LEU 9 -13.066 -3.765 0.536 55 HD13 LEU 9 3HD1 LEU 9 -13.065 -2.592 1.875 56 HD21 LEU 9 3HD2 LEU 9 -13.556 -3.540 4.167 57 HD22 LEU 9 1HD2 LEU 9 -15.078 -4.441 4.239 58 HD23 LEU 9 2HD2 LEU 9 -15.031 -2.836 3.471 59 H ARG 10 H ARG 10 -14.838 -6.175 -0.621 60 HA ARG 10 HA ARG 10 -12.509 -8.016 -1.102 61 HB2 ARG 10 1HB ARG 10 -14.550 -8.768 -2.298 62 HB3 ARG 10 2HB ARG 10 -14.673 -7.215 -3.101 63 HG2 ARG 10 1HG ARG 10 -13.302 -7.956 -4.737 64 HG3 ARG 10 2HG ARG 10 -11.992 -8.118 -3.566 65 HD2 ARG 10 1HD ARG 10 -12.984 -10.400 -2.962 66 HD3 ARG 10 2HD ARG 10 -14.008 -10.219 -4.404 67 HE ARG 10 HE ARG 10 -11.247 -9.748 -5.073 68 HH11 ARG 10 1HH1 ARG 10 -13.342 -12.429 -4.291 69 HH12 ARG 10 2HH1 ARG 10 -12.317 -13.597 -5.082 70 HH21 ARG 10 1HH2 ARG 10 -9.964 -11.270 -6.053 71 HH22 ARG 10 2HH2 ARG 10 -10.446 -12.940 -6.057 72 H GLU 11 H GLU 11 -13.772 -5.455 -3.113 73 HA GLU 11 HA GLU 11 -11.463 -3.647 -2.579 74 HB2 GLU 11 1HB GLU 11 -11.776 -5.357 -4.991 75 HB3 GLU 11 2HB GLU 11 -11.329 -3.680 -5.283 76 HG2 GLU 11 1HG GLU 11 -9.255 -3.904 -4.542 77 HG3 GLU 11 2HG GLU 11 -9.672 -4.891 -3.163 78 H ILE 12 H ILE 12 -14.475 -4.264 -4.369 79 HA ILE 12 HA ILE 12 -14.944 -1.666 -5.305 80 HB ILE 12 HB ILE 12 -16.202 -3.493 -6.149 81 HG12 ILE 12 1HG1 ILE 12 -18.489 -2.589 -6.094 82 HG13 ILE 12 2HG1 ILE 12 -18.105 -1.599 -4.693 83 HG21 ILE 12 1HG2 ILE 12 -17.320 -5.067 -4.987 84 HG22 ILE 12 2HG2 ILE 12 -16.497 -4.457 -3.544 85 HG23 ILE 12 3HG2 ILE 12 -18.112 -3.885 -3.930 86 HD11 ILE 12 3HD1 ILE 12 -16.512 -0.263 -6.036 87 HD12 ILE 12 1HD1 ILE 12 -16.806 -1.318 -7.439 88 HD13 ILE 12 2HD1 ILE 12 -18.106 -0.295 -6.790 89 H ILE 13 H ILE 13 -14.897 0.089 -4.201 90 HA ILE 13 HA ILE 13 -16.595 0.493 -1.818 91 HB ILE 13 HB ILE 13 -14.762 1.655 -0.680 92 HG12 ILE 13 1HG1 ILE 13 -12.365 0.746 -1.363 93 HG13 ILE 13 2HG1 ILE 13 -13.039 0.683 -2.980 94 HG21 ILE 13 1HG2 ILE 13 -14.022 -1.231 -1.146 95 HG22 ILE 13 2HG2 ILE 13 -13.782 -0.238 0.305 96 HG23 ILE 13 3HG2 ILE 13 -15.413 -0.691 -0.172 97 HD11 ILE 13 3HD1 ILE 13 -13.504 3.117 -2.872 98 HD12 ILE 13 1HD1 ILE 13 -12.863 3.140 -1.208 99 HD13 ILE 13 2HD1 ILE 13 -11.803 2.739 -2.568 100 H SER 14 H SER 14 -16.367 2.884 -1.153 101 HA SER 14 HA SER 14 -16.466 4.687 -3.535 102 HB2 SER 14 1HB SER 14 -18.730 4.094 -2.531 103 HB3 SER 14 2HB SER 14 -18.210 4.969 -1.075 104 HG SER 14 HG SER 14 -19.386 6.257 -2.658 105 H GLU 15 H GLU 15 -16.472 7.031 -2.596 106 HA GLU 15 HA GLU 15 -13.849 7.618 -1.773 107 HB2 GLU 15 1HB GLU 15 -15.602 9.123 -2.887 108 HB3 GLU 15 2HB GLU 15 -16.241 9.407 -1.277 109 HG2 GLU 15 1HG GLU 15 -13.431 9.884 -1.060 110 HG3 GLU 15 2HG GLU 15 -13.860 10.475 -2.651 111 H GLU 16 H GLU 16 -16.602 6.950 0.238 112 HA GLU 16 HA GLU 16 -15.837 7.861 2.814 113 HB2 GLU 16 1HB GLU 16 -17.409 5.490 1.772 114 HB3 GLU 16 2HB GLU 16 -17.093 5.623 3.495 115 HG2 GLU 16 1HG GLU 16 -18.297 7.968 1.998 116 HG3 GLU 16 2HG GLU 16 -19.300 6.604 2.481 117 H ASP 17 H ASP 17 -15.210 4.550 1.523 118 HA ASP 17 HA ASP 17 -13.406 3.789 3.624 119 HB2 ASP 17 1HB ASP 17 -13.942 2.758 0.848 120 HB3 ASP 17 2HB ASP 17 -12.787 1.995 1.922 121 H VAL 18 H VAL 18 -12.928 5.362 0.451 122 HA VAL 18 HA VAL 18 -10.081 5.173 0.333 123 HB VAL 18 HB VAL 18 -11.777 7.415 -0.784 124 HG11 VAL 18 1HG1 VAL 18 -9.816 8.442 -1.138 125 HG12 VAL 18 2HG1 VAL 18 -8.880 7.022 -0.669 126 HG13 VAL 18 3HG1 VAL 18 -9.443 7.161 -2.311 127 HG21 VAL 18 3HG2 VAL 18 -12.481 5.438 -1.841 128 HG22 VAL 18 1HG2 VAL 18 -11.252 6.048 -2.939 129 HG23 VAL 18 2HG2 VAL 18 -10.854 4.728 -1.828 130 H LYS 19 H LYS 19 -12.121 7.789 1.755 131 HA LYS 19 HA LYS 19 -9.980 9.318 2.831 132 HB2 LYS 19 1HB LYS 19 -12.739 8.995 4.081 133 HB3 LYS 19 2HB LYS 19 -11.638 10.349 4.268 134 HG2 LYS 19 1HG LYS 19 -12.131 10.084 1.431 135 HG3 LYS 19 2HG LYS 19 -13.677 9.868 2.269 136 HD2 LYS 19 1HD LYS 19 -13.488 12.164 1.756 137 HD3 LYS 19 2HD LYS 19 -13.264 11.988 3.502 138 HE2 LYS 19 1HE LYS 19 -10.662 11.772 2.601 139 HE3 LYS 19 2HE LYS 19 -11.340 12.799 1.337 140 HZ1 LYS 19 3HZ LYS 19 -10.471 14.141 3.153 141 HZ2 LYS 19 1HZ LYS 19 -11.394 13.373 4.256 142 HZ3 LYS 19 2HZ LYS 19 -12.095 14.320 3.123 143 H GLN 20 H GLN 20 -11.474 6.415 4.114 144 HA GLN 20 HA GLN 20 -10.149 6.576 6.725 145 HB2 GLN 20 1HB GLN 20 -12.249 5.471 6.598 146 HB3 GLN 20 2HB GLN 20 -11.703 4.363 5.338 147 HG2 GLN 20 1HG GLN 20 -10.200 3.223 6.845 148 HG3 GLN 20 2HG GLN 20 -10.407 4.463 8.091 149 HE21 GLN 20 2HE2 GLN 20 -10.748 1.794 8.799 150 HE22 GLN 20 1HE2 GLN 20 -12.466 1.544 9.097 151 H VAL 21 H VAL 21 -9.623 4.431 3.841 152 HA VAL 21 HA VAL 21 -7.296 3.180 4.899 153 HB VAL 21 HB VAL 21 -8.554 2.264 3.020 154 HG11 VAL 21 1HG1 VAL 21 -7.204 4.342 1.310 155 HG12 VAL 21 2HG1 VAL 21 -8.286 3.010 0.793 156 HG13 VAL 21 3HG1 VAL 21 -8.909 4.327 1.776 157 HG21 VAL 21 3HG2 VAL 21 -6.745 1.354 1.792 158 HG22 VAL 21 1HG2 VAL 21 -5.691 2.736 2.152 159 HG23 VAL 21 2HG2 VAL 21 -6.137 1.600 3.444 160 H TYR 22 H TYR 22 -7.561 6.219 3.041 161 HA TYR 22 HA TYR 22 -4.791 6.744 2.780 162 HB2 TYR 22 1HB TYR 22 -7.255 8.398 2.742 163 HB3 TYR 22 2HB TYR 22 -5.762 9.231 3.118 164 HD1 TYR 22 HD1 TYR 22 -7.175 6.826 0.640 165 HD2 TYR 22 HD2 TYR 22 -4.227 9.852 1.433 166 HE1 TYR 22 HE1 TYR 22 -6.678 6.977 -1.805 167 HE2 TYR 22 HE2 TYR 22 -3.644 9.905 -0.993 168 HH TYR 22 HH TYR 22 -5.042 9.376 -3.247 169 H SER 23 H SER 23 -6.855 7.020 5.622 170 HA SER 23 HA SER 23 -4.854 8.480 7.181 171 HB2 SER 23 1HB SER 23 -7.543 8.388 7.326 172 HB3 SER 23 2HB SER 23 -7.150 7.154 8.533 173 HG SER 23 HG SER 23 -6.200 9.856 8.403 174 H ILE 24 H ILE 24 -5.586 5.132 6.547 175 HA ILE 24 HA ILE 24 -4.367 3.952 8.914 176 HB ILE 24 HB ILE 24 -4.771 2.719 6.151 177 HG12 ILE 24 1HG1 ILE 24 -6.502 2.586 8.667 178 HG13 ILE 24 2HG1 ILE 24 -6.884 3.454 7.188 179 HG21 ILE 24 1HG2 ILE 24 -4.568 0.549 7.363 180 HG22 ILE 24 2HG2 ILE 24 -3.082 1.471 7.402 181 HG23 ILE 24 3HG2 ILE 24 -4.131 1.428 8.839 182 HD11 ILE 24 3HD1 ILE 24 -6.839 0.469 7.596 183 HD12 ILE 24 1HD1 ILE 24 -8.144 1.512 7.008 184 HD13 ILE 24 2HD1 ILE 24 -6.731 1.187 5.973 185 H LEU 25 H LEU 25 -3.193 4.564 5.591 186 HA LEU 25 HA LEU 25 -0.466 3.863 6.402 187 HB2 LEU 25 1HB LEU 25 -0.193 4.814 3.891 188 HB3 LEU 25 2HB LEU 25 -0.413 3.158 4.345 189 HG LEU 25 HG LEU 25 -2.878 3.402 3.827 190 HD11 LEU 25 1HD1 LEU 25 -1.812 6.013 2.669 191 HD12 LEU 25 2HD1 LEU 25 -3.036 5.827 3.922 192 HD13 LEU 25 3HD1 LEU 25 -3.376 5.283 2.263 193 HD21 LEU 25 3HD2 LEU 25 -0.706 3.859 1.736 194 HD22 LEU 25 1HD2 LEU 25 -2.378 3.450 1.343 195 HD23 LEU 25 2HD2 LEU 25 -1.395 2.323 2.298 196 H LYS 26 H LYS 26 -2.190 6.817 6.338 197 HA LYS 26 HA LYS 26 -0.135 8.717 5.965 198 HB2 LYS 26 1HB LYS 26 -2.829 8.754 6.789 199 HB3 LYS 26 2HB LYS 26 -1.994 9.395 8.167 200 HG2 LYS 26 1HG LYS 26 -2.612 11.249 6.821 201 HG3 LYS 26 2HG LYS 26 -0.866 11.047 6.619 202 HD2 LYS 26 1HD LYS 26 -1.391 9.771 4.450 203 HD3 LYS 26 2HD LYS 26 -3.083 10.186 4.685 204 HE2 LYS 26 1HE LYS 26 -1.998 11.664 3.065 205 HE3 LYS 26 2HE LYS 26 -2.651 12.542 4.446 206 HZ1 LYS 26 3HZ LYS 26 -0.435 12.757 5.345 207 HZ2 LYS 26 1HZ LYS 26 -0.396 13.286 3.809 208 HZ3 LYS 26 2HZ LYS 26 0.228 11.822 4.181 209 H GLU 27 H GLU 27 -0.570 6.618 8.663 210 HA GLU 27 HA GLU 27 1.189 8.095 10.479 211 HB2 GLU 27 1HB GLU 27 -0.698 6.778 11.302 212 HB3 GLU 27 2HB GLU 27 0.029 5.286 10.683 213 HG2 GLU 27 1HG GLU 27 1.648 5.222 12.337 214 HG3 GLU 27 2HG GLU 27 1.767 6.974 12.454 215 H LYS 28 H LYS 28 3.290 8.018 10.538 216 HA LYS 28 HA LYS 28 4.865 6.099 8.949 217 HB2 LYS 28 1HB LYS 28 5.596 8.616 10.477 218 HB3 LYS 28 2HB LYS 28 6.753 7.657 9.572 219 HG2 LYS 28 1HG LYS 28 4.249 8.896 8.335 220 HG3 LYS 28 2HG LYS 28 5.811 9.688 8.369 221 HD2 LYS 28 1HD LYS 28 5.134 7.073 6.944 222 HD3 LYS 28 2HD LYS 28 5.375 8.642 6.208 223 HE2 LYS 28 1HE LYS 28 7.505 6.985 7.651 224 HE3 LYS 28 2HE LYS 28 7.342 7.208 5.909 225 HZ1 LYS 28 3HZ LYS 28 8.429 9.053 7.876 226 HZ2 LYS 28 1HZ LYS 28 7.506 9.743 6.718 227 HZ3 LYS 28 2HZ LYS 28 8.816 8.860 6.298 228 H ASP 29 H ASP 29 3.598 5.741 11.841 229 HA ASP 29 HA ASP 29 5.968 4.720 13.299 230 HB2 ASP 29 1HB ASP 29 4.077 6.330 14.187 231 HB3 ASP 29 2HB ASP 29 3.178 4.840 14.442 232 H ILE 30 H ILE 30 4.506 3.371 11.004 233 HA ILE 30 HA ILE 30 3.684 0.782 12.204 234 HB ILE 30 HB ILE 30 2.743 0.262 10.025 235 HG12 ILE 30 1HG1 ILE 30 2.571 2.331 8.428 236 HG13 ILE 30 2HG1 ILE 30 4.032 2.879 9.214 237 HG21 ILE 30 1HG2 ILE 30 1.245 1.258 11.536 238 HG22 ILE 30 2HG2 ILE 30 1.911 2.889 11.310 239 HG23 ILE 30 3HG2 ILE 30 0.999 2.130 10.016 240 HD11 ILE 30 3HD1 ILE 30 5.278 0.965 8.372 241 HD12 ILE 30 1HD1 ILE 30 3.772 0.107 7.964 242 HD13 ILE 30 2HD1 ILE 30 4.282 1.519 7.059 243 H SER 31 H SER 31 6.487 2.107 11.030 244 HA SER 31 HA SER 31 7.757 0.459 9.250 245 HB2 SER 31 1HB SER 31 8.858 2.388 9.996 246 HB3 SER 31 2HB SER 31 8.809 1.876 11.695 247 HG SER 31 HG SER 31 10.832 1.403 11.092 248 H VAL 32 H VAL 32 7.569 -1.628 9.152 249 HA VAL 32 HA VAL 32 7.406 -3.431 11.378 250 HB VAL 32 HB VAL 32 6.342 -3.827 9.174 251 HG11 VAL 32 1HG1 VAL 32 7.388 -4.130 7.227 252 HG12 VAL 32 2HG1 VAL 32 8.707 -3.238 8.006 253 HG13 VAL 32 3HG1 VAL 32 8.758 -5.004 7.948 254 HG21 VAL 32 3HG2 VAL 32 8.211 -6.061 10.027 255 HG22 VAL 32 1HG2 VAL 32 6.592 -5.706 10.686 256 HG23 VAL 32 2HG2 VAL 32 6.786 -6.198 8.984 257 H ASP 33 H ASP 33 8.890 -4.813 12.278 258 HA ASP 33 HA ASP 33 11.677 -4.044 12.301 259 HB2 ASP 33 1HB ASP 33 9.924 -6.088 13.618 260 HB3 ASP 33 2HB ASP 33 11.606 -6.553 13.438 261 H SER 34 H SER 34 13.544 -5.165 11.518 262 HA SER 34 HA SER 34 13.309 -6.309 8.953 263 HB2 SER 34 1HB SER 34 15.804 -6.967 10.411 264 HB3 SER 34 2HB SER 34 15.570 -6.115 8.886 265 HG SER 34 HG SER 34 15.714 -4.273 9.930 266 H THR 35 H THR 35 13.916 -7.907 12.092 267 HA THR 35 HA THR 35 14.204 -10.592 11.132 268 HB THR 35 HB THR 35 13.100 -9.608 13.798 269 HG1 THR 35 HG1 THR 35 15.734 -10.266 12.957 270 HG21 THR 35 3HG2 THR 35 14.349 -12.286 13.032 271 HG22 THR 35 1HG2 THR 35 12.674 -12.006 13.561 272 HG23 THR 35 2HG2 THR 35 14.005 -11.748 14.693 273 H THR 36 H THR 36 11.322 -8.775 12.196 274 HA THR 36 HA THR 36 9.461 -10.936 11.650 275 HB THR 36 HB THR 36 8.947 -7.972 12.096 276 HG1 THR 36 HG1 THR 36 8.394 -8.864 14.211 277 HG21 THR 36 3HG2 THR 36 6.688 -8.755 12.807 278 HG22 THR 36 1HG2 THR 36 7.108 -10.406 12.277 279 HG23 THR 36 2HG2 THR 36 7.018 -9.077 11.103 280 H TRP 37 H TRP 37 10.703 -8.227 9.702 281 HA TRP 37 HA TRP 37 8.812 -8.039 7.739 282 HB2 TRP 37 1HB TRP 37 10.687 -6.543 7.759 283 HB3 TRP 37 2HB TRP 37 11.825 -7.857 7.535 284 HD1 TRP 37 HD1 TRP 37 12.938 -7.258 5.336 285 HE1 TRP 37 HE1 TRP 37 12.163 -7.038 2.890 286 HE3 TRP 37 HE3 TRP 37 7.850 -7.371 6.066 287 HZ2 TRP 37 HZ2 TRP 37 9.653 -6.995 1.442 288 HZ3 TRP 37 HZ3 TRP 37 6.349 -7.436 4.168 289 HH2 TRP 37 HH2 TRP 37 7.195 -7.244 1.842 290 H ASN 38 H ASN 38 11.562 -10.307 7.618 291 HA ASN 38 HA ASN 38 10.936 -11.630 5.223 292 HB2 ASN 38 1HB ASN 38 13.021 -11.822 6.638 293 HB3 ASN 38 2HB ASN 38 12.112 -12.855 7.752 294 HD21 ASN 38 2HD2 ASN 38 12.757 -14.990 7.390 295 HD22 ASN 38 1HD2 ASN 38 12.998 -15.651 5.776 296 H ARG 39 H ARG 39 9.403 -11.982 8.320 297 HA ARG 39 HA ARG 39 7.808 -14.388 7.659 298 HB2 ARG 39 1HB ARG 39 7.279 -12.546 10.014 299 HB3 ARG 39 2HB ARG 39 6.917 -14.246 9.839 300 HG2 ARG 39 1HG ARG 39 9.636 -12.952 10.290 301 HG3 ARG 39 2HG ARG 39 8.735 -13.955 11.415 302 HD2 ARG 39 1HD ARG 39 9.999 -14.882 8.798 303 HD3 ARG 39 2HD ARG 39 10.628 -15.160 10.426 304 HE ARG 39 HE ARG 39 7.973 -16.182 10.325 305 HH11 ARG 39 1HH1 ARG 39 11.099 -16.999 9.001 306 HH12 ARG 39 2HH1 ARG 39 10.706 -18.690 8.858 307 HH21 ARG 39 1HH2 ARG 39 7.520 -18.335 10.126 308 HH22 ARG 39 2HH2 ARG 39 8.722 -19.420 9.494 309 H ARG 40 H ARG 40 7.133 -10.949 8.269 310 HA ARG 40 HA ARG 40 4.386 -10.927 7.519 311 HB2 ARG 40 1HB ARG 40 6.424 -8.905 8.108 312 HB3 ARG 40 2HB ARG 40 5.479 -8.413 6.727 313 HG2 ARG 40 1HG ARG 40 3.950 -7.635 8.106 314 HG3 ARG 40 2HG ARG 40 3.472 -9.279 8.484 315 HD2 ARG 40 1HD ARG 40 4.979 -9.298 10.402 316 HD3 ARG 40 2HD ARG 40 5.655 -7.742 9.900 317 HE ARG 40 HE ARG 40 3.812 -6.595 10.710 318 HH11 ARG 40 1HH1 ARG 40 3.030 -9.998 10.900 319 HH12 ARG 40 2HH1 ARG 40 1.765 -9.735 12.058 320 HH21 ARG 40 1HH2 ARG 40 2.144 -6.312 12.121 321 HH22 ARG 40 2HH2 ARG 40 1.260 -7.688 12.708 322 H TYR 41 H TYR 41 7.211 -10.856 5.474 323 HA TYR 41 HA TYR 41 6.193 -10.056 3.032 324 HB2 TYR 41 1HB TYR 41 8.555 -10.929 3.750 325 HB3 TYR 41 2HB TYR 41 7.973 -12.505 3.246 326 HD1 TYR 41 HD1 TYR 41 6.822 -12.474 0.749 327 HD2 TYR 41 HD2 TYR 41 9.748 -9.675 2.226 328 HE1 TYR 41 HE1 TYR 41 7.286 -11.698 -1.573 329 HE2 TYR 41 HE2 TYR 41 10.247 -8.963 -0.116 330 HH TYR 41 HH TYR 41 9.723 -9.260 -2.372 331 H ARG 42 H ARG 42 5.738 -13.172 4.629 332 HA ARG 42 HA ARG 42 4.478 -14.579 2.445 333 HB2 ARG 42 1HB ARG 42 5.560 -15.502 4.676 334 HB3 ARG 42 2HB ARG 42 4.021 -15.130 5.426 335 HG2 ARG 42 1HG ARG 42 3.764 -17.355 4.859 336 HG3 ARG 42 2HG ARG 42 2.946 -16.566 3.516 337 HD2 ARG 42 1HD ARG 42 4.422 -17.426 2.004 338 HD3 ARG 42 2HD ARG 42 5.801 -16.848 2.923 339 HE ARG 42 HE ARG 42 6.062 -18.906 3.941 340 HH11 ARG 42 1HH1 ARG 42 2.981 -18.989 2.297 341 HH12 ARG 42 2HH1 ARG 42 2.739 -20.683 2.629 342 HH21 ARG 42 1HH2 ARG 42 5.704 -21.043 4.352 343 HH22 ARG 42 2HH2 ARG 42 4.259 -21.813 3.769 344 H GLU 43 H GLU 43 2.949 -13.237 5.388 345 HA GLU 43 HA GLU 43 0.244 -13.560 4.481 346 HB2 GLU 43 1HB GLU 43 -0.348 -11.837 6.181 347 HB3 GLU 43 2HB GLU 43 0.550 -13.223 6.792 348 HG2 GLU 43 1HG GLU 43 2.631 -11.876 6.779 349 HG3 GLU 43 2HG GLU 43 1.715 -10.464 6.234 350 H TYR 44 H TYR 44 2.453 -10.714 4.217 351 HA TYR 44 HA TYR 44 0.648 -9.062 2.797 352 HB2 TYR 44 1HB TYR 44 3.663 -9.211 2.818 353 HB3 TYR 44 2HB TYR 44 2.769 -7.983 1.958 354 HD1 TYR 44 HD1 TYR 44 0.816 -8.542 4.882 355 HD2 TYR 44 HD2 TYR 44 4.515 -6.784 3.519 356 HE1 TYR 44 HE1 TYR 44 0.870 -7.128 6.897 357 HE2 TYR 44 HE2 TYR 44 4.620 -5.444 5.663 358 HH TYR 44 HH TYR 44 2.645 -4.451 7.289 359 H MET 45 H MET 45 2.929 -11.490 1.438 360 HA MET 45 HA MET 45 2.278 -11.087 -1.291 361 HB2 MET 45 1HB MET 45 3.503 -13.292 0.303 362 HB3 MET 45 2HB MET 45 2.639 -13.837 -1.108 363 HG2 MET 45 1HG MET 45 4.090 -11.711 -2.139 364 HG3 MET 45 2HG MET 45 5.184 -12.405 -0.942 365 HE1 MET 45 3HE MET 45 6.299 -13.665 -4.563 366 HE2 MET 45 1HE MET 45 5.919 -12.101 -3.805 367 HE3 MET 45 2HE MET 45 7.020 -13.250 -3.000 368 H GLU 46 H GLU 46 0.434 -12.765 1.209 369 HA GLU 46 HA GLU 46 -1.498 -13.910 -0.673 370 HB2 GLU 46 1HB GLU 46 -1.316 -15.314 1.076 371 HB3 GLU 46 2HB GLU 46 -0.913 -14.067 2.254 372 HG2 GLU 46 1HG GLU 46 -3.146 -13.308 2.400 373 HG3 GLU 46 2HG GLU 46 -3.652 -14.347 1.049 374 H LYS 47 H LYS 47 -1.378 -11.112 1.565 375 HA LYS 47 HA LYS 47 -4.055 -10.268 1.220 376 HB2 LYS 47 1HB LYS 47 -1.511 -8.845 1.978 377 HB3 LYS 47 2HB LYS 47 -2.874 -7.860 1.484 378 HG2 LYS 47 1HG LYS 47 -2.922 -7.916 3.781 379 HG3 LYS 47 2HG LYS 47 -4.300 -8.892 3.249 380 HD2 LYS 47 1HD LYS 47 -3.196 -10.920 3.981 381 HD3 LYS 47 2HD LYS 47 -1.634 -10.087 3.977 382 HE2 LYS 47 1HE LYS 47 -1.848 -10.078 6.164 383 HE3 LYS 47 2HE LYS 47 -2.653 -8.555 5.813 384 HZ1 LYS 47 3HZ LYS 47 -4.735 -9.502 6.204 385 HZ2 LYS 47 1HZ LYS 47 -3.829 -10.167 7.379 386 HZ3 LYS 47 2HZ LYS 47 -4.214 -11.069 6.069 387 H ILE 48 H ILE 48 -1.582 -10.178 -1.126 388 HA ILE 48 HA ILE 48 -2.571 -8.115 -2.868 389 HB ILE 48 HB ILE 48 -1.007 -10.508 -3.811 390 HG12 ILE 48 1HG1 ILE 48 0.129 -9.960 -1.833 391 HG13 ILE 48 2HG1 ILE 48 1.075 -9.300 -3.159 392 HG21 ILE 48 1HG2 ILE 48 0.098 -8.870 -5.215 393 HG22 ILE 48 2HG2 ILE 48 -1.637 -8.852 -5.526 394 HG23 ILE 48 3HG2 ILE 48 -0.894 -7.558 -4.561 395 HD11 ILE 48 3HD1 ILE 48 -0.675 -7.726 -1.200 396 HD12 ILE 48 1HD1 ILE 48 1.090 -7.675 -1.433 397 HD13 ILE 48 2HD1 ILE 48 0.017 -7.010 -2.663 398 H LYS 49 H LYS 49 -3.552 -11.406 -2.379 399 HA LYS 49 HA LYS 49 -5.485 -11.216 -4.680 400 HB2 LYS 49 1HB LYS 49 -5.182 -13.463 -5.190 401 HB3 LYS 49 2HB LYS 49 -3.549 -12.882 -4.852 402 HG2 LYS 49 1HG LYS 49 -3.982 -13.762 -2.430 403 HG3 LYS 49 2HG LYS 49 -5.361 -14.600 -3.129 404 HD2 LYS 49 1HD LYS 49 -3.951 -16.297 -3.500 405 HD3 LYS 49 2HD LYS 49 -3.288 -15.340 -4.838 406 HE2 LYS 49 1HE LYS 49 -1.641 -14.320 -3.232 407 HE3 LYS 49 2HE LYS 49 -2.336 -15.303 -1.934 408 HZ1 LYS 49 3HZ LYS 49 -1.633 -17.295 -3.119 409 HZ2 LYS 49 1HZ LYS 49 -0.338 -16.333 -2.867 410 HZ3 LYS 49 2HZ LYS 49 -1.015 -16.413 -4.349 411 H THR 50 H THR 50 -5.130 -11.936 -1.291 412 HA THR 50 HA THR 50 -8.084 -12.543 -1.090 413 HB THR 50 HB THR 50 -7.733 -13.675 0.923 414 HG1 THR 50 HG1 THR 50 -6.336 -12.542 2.092 415 HG21 THR 50 3HG2 THR 50 -6.187 -15.437 0.447 416 HG22 THR 50 1HG2 THR 50 -5.238 -14.404 -0.628 417 HG23 THR 50 2HG2 THR 50 -6.877 -14.922 -1.111 418 H GLY 51 H GLY 51 -5.639 -10.280 -0.159 419 HA2 GLY 51 1HA GLY 51 -6.988 -9.157 2.129 420 HA3 GLY 51 2HA GLY 51 -5.592 -8.469 1.298 421 H SER 52 H SER 52 -7.905 -7.211 2.312 422 HA SER 52 HA SER 52 -9.491 -6.374 0.006 423 HB2 SER 52 1HB SER 52 -9.922 -6.632 2.790 424 HB3 SER 52 2HB SER 52 -9.947 -4.888 2.509 425 HG SER 52 HG SER 52 -11.295 -5.881 0.506 426 H VAL 53 H VAL 53 -10.057 -3.886 0.024 427 HA VAL 53 HA VAL 53 -7.983 -2.316 -0.902 428 HB VAL 53 HB VAL 53 -10.268 -1.691 -1.185 429 HG11 VAL 53 1HG1 VAL 53 -10.577 -0.654 1.615 430 HG12 VAL 53 2HG1 VAL 53 -11.777 -1.063 0.370 431 HG13 VAL 53 3HG1 VAL 53 -10.951 -2.348 1.245 432 HG21 VAL 53 3HG2 VAL 53 -9.034 0.554 0.458 433 HG22 VAL 53 1HG2 VAL 53 -8.439 0.081 -1.135 434 HG23 VAL 53 2HG2 VAL 53 -10.103 0.664 -0.957 435 H PHE 54 H PHE 54 -9.155 -2.236 2.441 436 HA PHE 54 HA PHE 54 -7.239 -0.462 3.527 437 HB2 PHE 54 1HB PHE 54 -8.764 -2.772 4.790 438 HB3 PHE 54 2HB PHE 54 -7.948 -1.490 5.689 439 HD1 PHE 54 HD1 PHE 54 -8.661 1.000 4.805 440 HD2 PHE 54 HD2 PHE 54 -11.099 -2.536 4.553 441 HE1 PHE 54 HE1 PHE 54 -10.672 2.409 4.649 442 HE2 PHE 54 HE2 PHE 54 -13.135 -1.111 4.508 443 HZ PHE 54 HZ PHE 54 -12.926 1.367 4.563 444 H GLU 55 H GLU 55 -6.993 -3.915 2.864 445 HA GLU 55 HA GLU 55 -4.531 -4.269 4.427 446 HB2 GLU 55 1HB GLU 55 -5.846 -6.205 2.492 447 HB3 GLU 55 2HB GLU 55 -4.535 -6.507 3.618 448 HG2 GLU 55 1HG GLU 55 -6.285 -5.572 5.411 449 HG3 GLU 55 2HG GLU 55 -7.454 -6.099 4.190 450 H ILE 56 H ILE 56 -5.319 -4.333 0.883 451 HA ILE 56 HA ILE 56 -2.759 -4.577 -0.175 452 HB ILE 56 HB ILE 56 -5.143 -2.959 -1.081 453 HG12 ILE 56 1HG1 ILE 56 -5.353 -5.437 -0.994 454 HG13 ILE 56 2HG1 ILE 56 -5.555 -4.768 -2.608 455 HG21 ILE 56 1HG2 ILE 56 -3.288 -1.845 -2.161 456 HG22 ILE 56 2HG2 ILE 56 -2.563 -3.387 -2.643 457 HG23 ILE 56 3HG2 ILE 56 -4.121 -2.842 -3.321 458 HD11 ILE 56 3HD1 ILE 56 -4.312 -6.802 -2.697 459 HD12 ILE 56 1HD1 ILE 56 -3.217 -5.483 -3.140 460 HD13 ILE 56 2HD1 ILE 56 -3.115 -6.215 -1.525 461 H ALA 57 H ALA 57 -4.378 -1.518 0.722 462 HA ALA 57 HA ALA 57 -2.164 0.139 0.107 463 HB1 ALA 57 3HB ALA 57 -4.757 0.513 0.973 464 HB2 ALA 57 1HB ALA 57 -3.808 1.048 2.385 465 HB3 ALA 57 2HB ALA 57 -3.560 1.767 0.776 466 H GLU 58 H GLU 58 -2.980 -1.511 3.199 467 HA GLU 58 HA GLU 58 -0.715 -0.578 4.691 468 HB2 GLU 58 1HB GLU 58 -2.673 -2.855 4.961 469 HB3 GLU 58 2HB GLU 58 -1.161 -2.972 5.835 470 HG2 GLU 58 1HG GLU 58 -1.785 -0.477 6.548 471 HG3 GLU 58 2HG GLU 58 -3.406 -1.009 6.172 472 H VAL 59 H VAL 59 -1.051 -3.361 2.500 473 HA VAL 59 HA VAL 59 1.442 -4.616 3.073 474 HB VAL 59 HB VAL 59 -0.068 -4.564 0.430 475 HG11 VAL 59 1HG1 VAL 59 1.318 -6.936 0.535 476 HG12 VAL 59 2HG1 VAL 59 1.855 -5.493 -0.344 477 HG13 VAL 59 3HG1 VAL 59 2.473 -5.846 1.281 478 HG21 VAL 59 3HG2 VAL 59 -1.115 -5.629 2.663 479 HG22 VAL 59 1HG2 VAL 59 -1.259 -6.371 1.061 480 HG23 VAL 59 2HG2 VAL 59 -0.058 -6.951 2.245 481 H LEU 60 H LEU 60 0.737 -2.498 0.243 482 HA LEU 60 HA LEU 60 3.483 -2.199 -0.483 483 HB2 LEU 60 1HB LEU 60 2.596 -1.362 -2.243 484 HB3 LEU 60 2HB LEU 60 0.998 -1.392 -1.548 485 HG LEU 60 HG LEU 60 2.894 0.989 -1.268 486 HD11 LEU 60 1HD1 LEU 60 1.831 1.955 -3.138 487 HD12 LEU 60 2HD1 LEU 60 0.667 0.598 -3.264 488 HD13 LEU 60 3HD1 LEU 60 2.386 0.355 -3.598 489 HD21 LEU 60 3HD2 LEU 60 -0.043 0.524 -0.680 490 HD22 LEU 60 1HD2 LEU 60 0.577 2.157 -1.031 491 HD23 LEU 60 2HD2 LEU 60 1.164 1.297 0.345 492 H ARG 61 H ARG 61 1.561 -0.409 1.837 493 HA ARG 61 HA ARG 61 3.312 1.793 2.319 494 HB2 ARG 61 1HB ARG 61 1.040 1.819 3.123 495 HB3 ARG 61 2HB ARG 61 1.266 0.318 3.992 496 HG2 ARG 61 1HG ARG 61 3.069 1.707 5.365 497 HG3 ARG 61 2HG ARG 61 2.155 3.073 4.796 498 HD2 ARG 61 1HD ARG 61 1.200 2.562 6.824 499 HD3 ARG 61 2HD ARG 61 0.090 1.773 5.690 500 HE ARG 61 HE ARG 61 1.943 -0.213 6.367 501 HH11 ARG 61 1HH1 ARG 61 -0.543 1.645 8.091 502 HH12 ARG 61 2HH1 ARG 61 -1.004 0.162 8.916 503 HH21 ARG 61 1HH2 ARG 61 1.461 -1.813 7.775 504 HH22 ARG 61 2HH2 ARG 61 0.094 -1.567 8.871 505 H ASP 62 H ASP 62 3.083 -1.316 4.126 506 HA ASP 62 HA ASP 62 5.303 -0.793 5.843 507 HB2 ASP 62 1HB ASP 62 4.020 -3.336 4.835 508 HB3 ASP 62 2HB ASP 62 5.513 -3.394 5.780 509 H LEU 63 H LEU 63 5.269 -2.441 2.656 510 HA LEU 63 HA LEU 63 8.084 -2.823 2.393 511 HB2 LEU 63 1HB LEU 63 5.814 -2.527 0.403 512 HB3 LEU 63 2HB LEU 63 7.486 -2.588 -0.120 513 HG LEU 63 HG LEU 63 7.607 -4.741 1.444 514 HD11 LEU 63 1HD1 LEU 63 5.292 -4.680 2.277 515 HD12 LEU 63 2HD1 LEU 63 5.486 -6.078 1.212 516 HD13 LEU 63 3HD1 LEU 63 4.675 -4.641 0.605 517 HD21 LEU 63 3HD2 LEU 63 6.204 -5.005 -1.224 518 HD22 LEU 63 1HD2 LEU 63 7.372 -6.106 -0.451 519 HD23 LEU 63 2HD2 LEU 63 7.907 -4.542 -1.066 520 H TYR 64 H TYR 64 6.146 0.094 1.546 521 HA TYR 64 HA TYR 64 8.393 1.543 0.556 522 HB2 TYR 64 1HB TYR 64 5.603 2.149 1.270 523 HB3 TYR 64 2HB TYR 64 6.703 3.481 1.564 524 HD1 TYR 64 HD1 TYR 64 8.500 3.954 -0.284 525 HD2 TYR 64 HD2 TYR 64 4.840 1.815 -0.942 526 HE1 TYR 64 HE1 TYR 64 8.555 4.598 -2.670 527 HE2 TYR 64 HE2 TYR 64 4.917 2.399 -3.359 528 HH TYR 64 HH TYR 64 7.500 4.589 -4.650 529 H LEU 65 H LEU 65 6.990 1.579 3.859 530 HA LEU 65 HA LEU 65 8.987 3.441 4.853 531 HB2 LEU 65 1HB LEU 65 7.018 1.610 6.265 532 HB3 LEU 65 2HB LEU 65 8.215 2.575 7.112 533 HG LEU 65 HG LEU 65 7.210 4.639 5.816 534 HD11 LEU 65 1HD1 LEU 65 5.748 3.677 4.258 535 HD12 LEU 65 2HD1 LEU 65 4.705 4.341 5.527 536 HD13 LEU 65 3HD1 LEU 65 5.046 2.609 5.466 537 HD21 LEU 65 3HD2 LEU 65 6.805 4.932 8.002 538 HD22 LEU 65 1HD2 LEU 65 6.439 3.235 8.303 539 HD23 LEU 65 2HD2 LEU 65 5.177 4.301 7.683 540 H LEU 66 H LEU 66 8.995 -0.065 4.556 541 HA LEU 66 HA LEU 66 11.121 -0.792 6.260 542 HB2 LEU 66 1HB LEU 66 9.918 -1.809 3.711 543 HB3 LEU 66 2HB LEU 66 11.514 -2.419 4.114 544 HG LEU 66 HG LEU 66 9.388 -2.440 6.207 545 HD11 LEU 66 1HD1 LEU 66 8.822 -4.781 5.454 546 HD12 LEU 66 2HD1 LEU 66 9.632 -4.413 3.911 547 HD13 LEU 66 3HD1 LEU 66 8.199 -3.513 4.433 548 HD21 LEU 66 3HD2 LEU 66 10.693 -4.441 6.924 549 HD22 LEU 66 1HD2 LEU 66 11.758 -3.047 6.745 550 HD23 LEU 66 2HD2 LEU 66 11.708 -4.302 5.484 551 H LYS 67 H LYS 67 11.262 0.614 3.043 552 HA LYS 67 HA LYS 67 14.242 0.748 3.115 553 HB2 LYS 67 1HB LYS 67 12.373 0.195 1.103 554 HB3 LYS 67 2HB LYS 67 12.889 1.831 0.726 555 HG2 LYS 67 1HG LYS 67 14.850 -0.455 1.269 556 HG3 LYS 67 2HG LYS 67 14.143 -0.155 -0.308 557 HD2 LYS 67 1HD LYS 67 15.037 2.237 -0.150 558 HD3 LYS 67 2HD LYS 67 15.974 1.699 1.250 559 HE2 LYS 67 1HE LYS 67 16.250 -0.155 -1.031 560 HE3 LYS 67 2HE LYS 67 16.583 1.498 -1.529 561 HZ1 LYS 67 3HZ LYS 67 18.107 1.536 0.534 562 HZ2 LYS 67 1HZ LYS 67 18.630 0.741 -0.786 563 HZ3 LYS 67 2HZ LYS 67 18.033 -0.098 0.481 564 H GLY 68 H GLY 68 11.437 2.857 3.271 565 HA2 GLY 68 1HA GLY 68 11.233 5.024 4.047 566 HA3 GLY 68 2HA GLY 68 12.931 4.987 4.527 567 H ASP 69 H ASP 69 12.111 4.345 1.187 568 HA ASP 69 HA ASP 69 12.674 7.063 0.232 569 HB2 ASP 69 1HB ASP 69 14.829 5.236 0.598 570 HB3 ASP 69 2HB ASP 69 14.433 5.101 -1.102 571 H LYS 70 H LYS 70 12.334 7.259 -2.070 572 HA LYS 70 HA LYS 70 10.138 5.781 -3.149 573 HB2 LYS 70 1HB LYS 70 10.567 7.032 -5.224 574 HB3 LYS 70 2HB LYS 70 10.513 8.040 -3.787 575 HG2 LYS 70 1HG LYS 70 13.246 7.464 -3.979 576 HG3 LYS 70 2HG LYS 70 12.778 7.495 -5.666 577 HD2 LYS 70 1HD LYS 70 11.981 9.733 -3.749 578 HD3 LYS 70 2HD LYS 70 13.602 9.660 -4.444 579 HE2 LYS 70 1HE LYS 70 12.738 9.703 -6.707 580 HE3 LYS 70 2HE LYS 70 11.065 9.642 -6.134 581 HZ1 LYS 70 3HZ LYS 70 11.938 11.926 -6.699 582 HZ2 LYS 70 1HZ LYS 70 12.929 11.838 -5.405 583 HZ3 LYS 70 2HZ LYS 70 11.308 11.812 -5.197 584 H ASP 71 H ASP 71 13.587 5.405 -3.652 585 HA ASP 71 HA ASP 71 13.244 3.292 -5.679 586 HB2 ASP 71 1HB ASP 71 15.014 5.079 -5.812 587 HB3 ASP 71 2HB ASP 71 15.815 4.332 -4.433 588 H LEU 72 H LEU 72 12.061 1.829 -4.363 589 HA LEU 72 HA LEU 72 13.124 0.640 -1.997 590 HB2 LEU 72 1HB LEU 72 10.743 0.360 -3.647 591 HB3 LEU 72 2HB LEU 72 11.415 -1.240 -3.343 592 HG LEU 72 HG LEU 72 11.511 -0.719 -0.911 593 HD11 LEU 72 1HD1 LEU 72 9.825 1.734 -1.600 594 HD12 LEU 72 2HD1 LEU 72 11.527 1.816 -1.158 595 HD13 LEU 72 3HD1 LEU 72 10.376 1.195 0.010 596 HD21 LEU 72 3HD2 LEU 72 9.290 -1.487 -2.434 597 HD22 LEU 72 1HD2 LEU 72 8.667 -0.228 -1.342 598 HD23 LEU 72 2HD2 LEU 72 9.502 -1.639 -0.692 599 H SER 73 H SER 73 13.758 -1.626 -1.664 600 HA SER 73 HA SER 73 16.024 -2.368 -3.314 601 HB2 SER 73 1HB SER 73 15.768 -2.904 -0.858 602 HB3 SER 73 2HB SER 73 14.519 -4.091 -1.307 603 HG SER 73 HG SER 73 16.699 -4.956 -1.108 604 H PHE 74 H PHE 74 16.220 -4.299 -4.597 605 HA PHE 74 HA PHE 74 14.161 -4.792 -6.485 606 HB2 PHE 74 1HB PHE 74 16.486 -5.266 -6.962 607 HB3 PHE 74 2HB PHE 74 16.568 -6.452 -5.665 608 HD1 PHE 74 HD2 PHE 74 14.574 -5.752 -8.801 609 HD2 PHE 74 HD1 PHE 74 16.358 -8.726 -6.230 610 HE1 PHE 74 HE2 PHE 74 13.881 -7.538 -10.379 611 HE2 PHE 74 HE1 PHE 74 15.669 -10.505 -7.816 612 HZ PHE 74 HZ PHE 74 14.429 -9.918 -9.891 613 H GLY 75 H GLY 75 15.015 -6.690 -3.577 614 HA2 GLY 75 1HA GLY 75 13.159 -8.822 -3.939 615 HA3 GLY 75 2HA GLY 75 13.850 -8.319 -2.393 616 H GLU 76 H GLU 76 12.755 -5.700 -2.292 617 HA GLU 76 HA GLU 76 10.037 -6.220 -1.336 618 HB2 GLU 76 1HB GLU 76 11.529 -3.583 -1.659 619 HB3 GLU 76 2HB GLU 76 10.059 -3.872 -0.720 620 HG2 GLU 76 1HG GLU 76 11.257 -5.369 0.801 621 HG3 GLU 76 2HG GLU 76 12.739 -5.222 -0.146 622 H ARG 77 H ARG 77 11.446 -4.277 -3.975 623 HA ARG 77 HA ARG 77 9.167 -3.224 -5.171 624 HB2 ARG 77 1HB ARG 77 11.501 -2.645 -5.721 625 HB3 ARG 77 2HB ARG 77 11.692 -4.190 -6.546 626 HG2 ARG 77 1HG ARG 77 11.357 -2.412 -8.136 627 HG3 ARG 77 2HG ARG 77 9.987 -3.515 -8.222 628 HD2 ARG 77 1HD ARG 77 8.500 -1.948 -7.262 629 HD3 ARG 77 2HD ARG 77 9.796 -1.086 -6.433 630 HE ARG 77 HE ARG 77 10.152 0.238 -8.258 631 HH11 ARG 77 1HH1 ARG 77 8.217 -2.420 -9.442 632 HH12 ARG 77 2HH1 ARG 77 8.056 -1.727 -11.024 633 HH21 ARG 77 1HH2 ARG 77 9.967 1.056 -10.293 634 HH22 ARG 77 2HH2 ARG 77 9.072 0.185 -11.500 635 H LYS 78 H LYS 78 10.391 -6.504 -5.530 636 HA LYS 78 HA LYS 78 8.796 -7.490 -7.637 637 HB2 LYS 78 1HB LYS 78 9.620 -8.886 -5.057 638 HB3 LYS 78 2HB LYS 78 8.931 -9.721 -6.431 639 HG2 LYS 78 1HG LYS 78 11.262 -8.078 -7.218 640 HG3 LYS 78 2HG LYS 78 11.634 -9.187 -5.906 641 HD2 LYS 78 1HD LYS 78 12.192 -10.402 -7.751 642 HD3 LYS 78 2HD LYS 78 10.603 -11.053 -7.390 643 HE2 LYS 78 1HE LYS 78 10.983 -8.757 -9.368 644 HE3 LYS 78 2HE LYS 78 11.340 -10.414 -9.847 645 HZ1 LYS 78 3HZ LYS 78 8.680 -9.446 -8.951 646 HZ2 LYS 78 1HZ LYS 78 9.038 -11.015 -9.256 647 HZ3 LYS 78 2HZ LYS 78 9.100 -9.916 -10.453 648 H MET 79 H MET 79 7.876 -7.606 -4.168 649 HA MET 79 HA MET 79 5.115 -8.390 -4.806 650 HB2 MET 79 1HB MET 79 6.358 -9.121 -2.724 651 HB3 MET 79 2HB MET 79 6.255 -7.450 -2.155 652 HG2 MET 79 1HG MET 79 3.619 -7.929 -2.781 653 HG3 MET 79 2HG MET 79 4.142 -9.554 -2.396 654 HE1 MET 79 3HE MET 79 5.352 -9.059 1.343 655 HE2 MET 79 1HE MET 79 5.203 -10.202 -0.007 656 HE3 MET 79 2HE MET 79 6.381 -8.868 -0.083 657 H LEU 80 H LEU 80 6.768 -5.396 -3.759 658 HA LEU 80 HA LEU 80 4.529 -3.739 -3.324 659 HB2 LEU 80 1HB LEU 80 6.895 -3.131 -2.800 660 HB3 LEU 80 2HB LEU 80 7.216 -3.053 -4.525 661 HG LEU 80 HG LEU 80 5.109 -1.295 -4.351 662 HD11 LEU 80 1HD1 LEU 80 6.637 -0.497 -1.926 663 HD12 LEU 80 2HD1 LEU 80 5.300 -1.646 -1.770 664 HD13 LEU 80 3HD1 LEU 80 5.020 -0.052 -2.477 665 HD21 LEU 80 3HD2 LEU 80 8.082 -0.878 -4.228 666 HD22 LEU 80 1HD2 LEU 80 6.966 0.491 -4.223 667 HD23 LEU 80 2HD2 LEU 80 6.957 -0.671 -5.578 668 H ASP 81 H ASP 81 6.240 -4.343 -6.452 669 HA ASP 81 HA ASP 81 4.803 -2.655 -8.160 670 HB2 ASP 81 1HB ASP 81 6.783 -3.952 -8.778 671 HB3 ASP 81 2HB ASP 81 5.885 -5.461 -8.629 672 H THR 82 H THR 82 3.831 -5.876 -6.966 673 HA THR 82 HA THR 82 1.377 -6.021 -8.464 674 HB THR 82 HB THR 82 1.627 -7.510 -5.888 675 HG1 THR 82 HG1 THR 82 3.207 -8.801 -6.528 676 HG21 THR 82 3HG2 THR 82 0.848 -9.360 -7.329 677 HG22 THR 82 1HG2 THR 82 1.120 -8.379 -8.779 678 HG23 THR 82 2HG2 THR 82 -0.159 -7.925 -7.630 679 H ALA 83 H ALA 83 2.099 -5.233 -5.018 680 HA ALA 83 HA ALA 83 -0.599 -4.591 -4.305 681 HB1 ALA 83 3HB ALA 83 1.919 -3.490 -3.016 682 HB2 ALA 83 1HB ALA 83 0.311 -3.726 -2.281 683 HB3 ALA 83 2HB ALA 83 1.301 -5.125 -2.727 684 H ARG 84 H ARG 84 1.869 -2.632 -5.868 685 HA ARG 84 HA ARG 84 0.708 -0.011 -5.671 686 HB2 ARG 84 1HB ARG 84 2.552 -1.365 -7.669 687 HB3 ARG 84 2HB ARG 84 1.981 0.269 -7.968 688 HG2 ARG 84 1HG ARG 84 3.264 -0.484 -5.343 689 HG3 ARG 84 2HG ARG 84 4.246 -0.104 -6.746 690 HD2 ARG 84 1HD ARG 84 2.013 1.807 -5.995 691 HD3 ARG 84 2HD ARG 84 3.441 1.785 -4.991 692 HE ARG 84 HE ARG 84 3.224 2.958 -7.613 693 HH11 ARG 84 1HH1 ARG 84 5.543 1.331 -5.604 694 HH12 ARG 84 2HH1 ARG 84 6.877 2.242 -6.233 695 HH21 ARG 84 1HH2 ARG 84 4.991 3.980 -8.508 696 HH22 ARG 84 2HH2 ARG 84 6.585 3.601 -7.916 697 H SER 85 H SER 85 0.485 -2.360 -8.331 698 HA SER 85 HA SER 85 -1.431 -0.978 -9.900 699 HB2 SER 85 1HB SER 85 0.056 -3.104 -10.397 700 HB3 SER 85 2HB SER 85 -1.377 -3.987 -9.840 701 HG SER 85 HG SER 85 -1.004 -2.344 -12.102 702 H LEU 86 H LEU 86 -1.877 -2.808 -7.000 703 HA LEU 86 HA LEU 86 -4.816 -2.897 -7.272 704 HB2 LEU 86 1HB LEU 86 -2.888 -3.991 -5.213 705 HB3 LEU 86 2HB LEU 86 -4.647 -4.109 -5.060 706 HG LEU 86 HG LEU 86 -3.138 -5.222 -7.468 707 HD11 LEU 86 1HD1 LEU 86 -3.283 -7.370 -6.413 708 HD12 LEU 86 2HD1 LEU 86 -4.156 -6.690 -5.025 709 HD13 LEU 86 3HD1 LEU 86 -2.455 -6.252 -5.313 710 HD21 LEU 86 3HD2 LEU 86 -5.968 -5.560 -6.375 711 HD22 LEU 86 1HD2 LEU 86 -5.261 -6.617 -7.612 712 HD23 LEU 86 2HD2 LEU 86 -5.500 -4.897 -7.954 713 H LEU 87 H LEU 87 -2.394 -1.245 -5.209 714 HA LEU 87 HA LEU 87 -4.017 0.077 -3.397 715 HB2 LEU 87 1HB LEU 87 -1.584 0.288 -3.363 716 HB3 LEU 87 2HB LEU 87 -1.580 1.082 -4.946 717 HG LEU 87 HG LEU 87 -3.004 2.945 -3.865 718 HD11 LEU 87 1HD1 LEU 87 -1.786 1.743 -1.363 719 HD12 LEU 87 2HD1 LEU 87 -3.517 1.744 -1.740 720 HD13 LEU 87 3HD1 LEU 87 -2.660 3.276 -1.466 721 HD21 LEU 87 3HD2 LEU 87 -1.172 4.175 -3.295 722 HD22 LEU 87 1HD2 LEU 87 -0.655 3.117 -4.615 723 HD23 LEU 87 2HD2 LEU 87 -0.202 2.747 -2.941 724 H ILE 88 H ILE 88 -3.086 1.332 -6.610 725 HA ILE 88 HA ILE 88 -4.980 3.469 -6.385 726 HB ILE 88 HB ILE 88 -4.328 4.277 -8.404 727 HG12 ILE 88 1HG1 ILE 88 -4.821 2.413 -9.896 728 HG13 ILE 88 2HG1 ILE 88 -3.235 3.110 -10.218 729 HG21 ILE 88 1HG2 ILE 88 -2.004 4.382 -8.390 730 HG22 ILE 88 2HG2 ILE 88 -2.459 4.078 -6.713 731 HG23 ILE 88 3HG2 ILE 88 -1.808 2.762 -7.668 732 HD11 ILE 88 3HD1 ILE 88 -3.350 0.626 -10.371 733 HD12 ILE 88 1HD1 ILE 88 -2.110 1.240 -9.273 734 HD13 ILE 88 2HD1 ILE 88 -3.632 0.578 -8.621 735 H LYS 89 H LYS 89 -5.462 0.249 -7.210 736 HA LYS 89 HA LYS 89 -7.546 0.376 -9.200 737 HB2 LYS 89 1HB LYS 89 -6.124 -1.667 -8.392 738 HB3 LYS 89 2HB LYS 89 -7.323 -1.818 -7.107 739 HG2 LYS 89 1HG LYS 89 -8.226 -3.253 -8.598 740 HG3 LYS 89 2HG LYS 89 -9.058 -1.782 -9.083 741 HD2 LYS 89 1HD LYS 89 -8.342 -2.514 -11.151 742 HD3 LYS 89 2HD LYS 89 -6.931 -1.530 -10.719 743 HE2 LYS 89 1HE LYS 89 -5.786 -3.563 -9.851 744 HE3 LYS 89 2HE LYS 89 -7.217 -4.536 -10.226 745 HZ1 LYS 89 3HZ LYS 89 -5.515 -4.687 -11.969 746 HZ2 LYS 89 1HZ LYS 89 -5.601 -3.081 -12.249 747 HZ3 LYS 89 2HZ LYS 89 -6.888 -4.043 -12.569 748 H GLU 90 H GLU 90 -7.688 0.074 -5.659 749 HA GLU 90 HA GLU 90 -10.620 0.189 -5.605 750 HB2 GLU 90 1HB GLU 90 -8.896 0.681 -3.196 751 HB3 GLU 90 2HB GLU 90 -10.497 -0.010 -3.310 752 HG2 GLU 90 1HG GLU 90 -9.589 -2.028 -3.194 753 HG3 GLU 90 2HG GLU 90 -9.042 -1.803 -4.831 754 H LEU 91 H LEU 91 -7.940 2.296 -4.605 755 HA LEU 91 HA LEU 91 -9.444 4.561 -3.805 756 HB2 LEU 91 1HB LEU 91 -6.574 4.340 -4.832 757 HB3 LEU 91 2HB LEU 91 -7.263 5.718 -3.946 758 HG LEU 91 HG LEU 91 -6.915 2.902 -2.820 759 HD11 LEU 91 1HD1 LEU 91 -5.292 5.441 -2.528 760 HD12 LEU 91 2HD1 LEU 91 -4.778 3.806 -2.936 761 HD13 LEU 91 3HD1 LEU 91 -5.274 4.162 -1.291 762 HD21 LEU 91 3HD2 LEU 91 -7.336 4.767 -0.770 763 HD22 LEU 91 1HD2 LEU 91 -8.446 3.492 -1.350 764 HD23 LEU 91 2HD2 LEU 91 -8.545 5.137 -1.967 765 H SER 92 H SER 92 -8.633 3.485 -6.933 766 HA SER 92 HA SER 92 -8.696 5.528 -8.690 767 HB2 SER 92 1HB SER 92 -8.613 3.266 -9.498 768 HB3 SER 92 2HB SER 92 -10.210 2.914 -8.818 769 HG SER 92 HG SER 92 -10.570 3.249 -10.924 770 H LEU 93 H LEU 93 -11.523 4.378 -6.937 771 HA LEU 93 HA LEU 93 -13.505 5.875 -8.258 772 HB2 LEU 93 1HB LEU 93 -13.568 3.949 -6.421 773 HB3 LEU 93 2HB LEU 93 -13.657 5.285 -5.291 774 HG LEU 93 HG LEU 93 -15.853 4.417 -5.809 775 HD11 LEU 93 1HD1 LEU 93 -15.636 6.881 -5.446 776 HD12 LEU 93 2HD1 LEU 93 -17.048 6.406 -6.410 777 HD13 LEU 93 3HD1 LEU 93 -15.633 7.098 -7.214 778 HD21 LEU 93 3HD2 LEU 93 -16.844 4.323 -7.969 779 HD22 LEU 93 1HD2 LEU 93 -15.258 3.546 -8.105 780 HD23 LEU 93 2HD2 LEU 93 -15.500 5.192 -8.727 781 H ALA 94 H ALA 94 -11.889 6.750 -5.195 782 HA ALA 94 HA ALA 94 -12.933 9.473 -5.204 783 HB1 ALA 94 3HB ALA 94 -10.629 8.345 -3.619 784 HB2 ALA 94 1HB ALA 94 -11.627 9.743 -3.195 785 HB3 ALA 94 2HB ALA 94 -12.339 8.119 -3.166 786 H LYS 95 H LYS 95 -10.055 7.979 -6.523 787 HA LYS 95 HA LYS 95 -8.299 10.170 -6.805 788 HB2 LYS 95 1HB LYS 95 -7.080 8.626 -7.776 789 HB3 LYS 95 2HB LYS 95 -8.454 7.526 -7.747 790 HG2 LYS 95 1HG LYS 95 -9.097 8.315 -10.020 791 HG3 LYS 95 2HG LYS 95 -7.633 9.309 -10.040 792 HD2 LYS 95 1HD LYS 95 -6.383 7.558 -10.707 793 HD3 LYS 95 2HD LYS 95 -6.964 6.539 -9.404 794 HE2 LYS 95 1HE LYS 95 -9.042 6.073 -10.704 795 HE3 LYS 95 2HE LYS 95 -8.404 7.009 -12.046 796 HZ1 LYS 95 3HZ LYS 95 -8.044 4.541 -12.153 797 HZ2 LYS 95 1HZ LYS 95 -6.963 4.657 -10.940 798 HZ3 LYS 95 2HZ LYS 95 -6.686 5.420 -12.370 799 H ASP 96 H ASP 96 -10.967 9.244 -8.875 800 HA ASP 96 HA ASP 96 -11.945 10.158 -10.715 801 HB2 ASP 96 1HB ASP 96 -12.797 11.363 -8.651 802 HB3 ASP 96 2HB ASP 96 -11.782 12.723 -9.118 803 H CYS 97 H CYS 97 -9.236 9.929 -11.202 804 HA CYS 97 HA CYS 97 -8.591 11.792 -13.298 805 HB2 CYS 97 1HB CYS 97 -8.031 12.752 -10.745 806 HB3 CYS 97 2HB CYS 97 -6.495 12.011 -11.182 807 HG CYS 97 HG CYS 97 -6.882 14.722 -11.667 808 H SER 98 H SER 98 -5.814 11.463 -13.374 809 HA SER 98 HA SER 98 -5.431 8.755 -14.376 810 HB2 SER 98 1HB SER 98 -3.759 11.230 -14.006 811 HB3 SER 98 2HB SER 98 -2.903 9.690 -14.164 812 HG SER 98 HG SER 98 -3.265 10.646 -16.202 813 H GLU 99 H GLU 99 -3.757 7.217 -13.601 814 HA GLU 99 HA GLU 99 -4.032 6.475 -10.865 815 HB2 GLU 99 1HB GLU 99 -1.842 5.759 -12.853 816 HB3 GLU 99 2HB GLU 99 -2.002 5.057 -11.229 817 HG2 GLU 99 1HG GLU 99 -4.332 4.321 -11.839 818 HG3 GLU 99 2HG GLU 99 -4.047 4.883 -13.483 819 H ASP 100 H ASP 100 -1.755 8.681 -12.305 820 HA ASP 100 HA ASP 100 0.221 8.983 -10.328 821 HB2 ASP 100 1HB ASP 100 -0.999 10.739 -12.437 822 HB3 ASP 100 2HB ASP 100 -0.158 11.568 -11.145 823 H GLU 101 H GLU 101 -3.202 10.007 -10.100 824 HA GLU 101 HA GLU 101 -2.909 11.909 -8.032 825 HB2 GLU 101 1HB GLU 101 -5.022 10.841 -9.458 826 HB3 GLU 101 2HB GLU 101 -5.255 10.052 -7.911 827 HG2 GLU 101 1HG GLU 101 -6.516 12.106 -8.106 828 HG3 GLU 101 2HG GLU 101 -5.347 12.222 -6.788 829 H ILE 102 H ILE 102 -3.467 8.391 -7.759 830 HA ILE 102 HA ILE 102 -2.941 8.356 -4.871 831 HB ILE 102 HB ILE 102 -3.457 6.137 -6.818 832 HG12 ILE 102 1HG1 ILE 102 -5.485 6.686 -4.747 833 HG13 ILE 102 2HG1 ILE 102 -5.269 8.083 -5.770 834 HG21 ILE 102 1HG2 ILE 102 -3.944 4.804 -4.773 835 HG22 ILE 102 2HG2 ILE 102 -2.250 5.293 -4.857 836 HG23 ILE 102 3HG2 ILE 102 -3.349 6.145 -3.764 837 HD11 ILE 102 3HD1 ILE 102 -5.764 5.280 -6.827 838 HD12 ILE 102 1HD1 ILE 102 -6.968 6.527 -6.616 839 HD13 ILE 102 2HD1 ILE 102 -5.614 6.772 -7.766 840 H GLU 103 H GLU 103 -1.248 7.211 -7.846 841 HA GLU 103 HA GLU 103 0.882 5.869 -6.550 842 HB2 GLU 103 1HB GLU 103 0.431 7.061 -9.264 843 HB3 GLU 103 2HB GLU 103 2.104 6.881 -8.798 844 HG2 GLU 103 1HG GLU 103 1.638 4.467 -8.218 845 HG3 GLU 103 2HG GLU 103 0.043 4.661 -8.942 846 H SER 104 H SER 104 0.629 9.333 -7.588 847 HA SER 104 HA SER 104 3.208 10.046 -6.417 848 HB2 SER 104 1HB SER 104 2.063 11.190 -8.417 849 HB3 SER 104 2HB SER 104 1.044 12.002 -7.205 850 HG SER 104 HG SER 104 2.923 13.211 -7.762 851 H ASP 105 H ASP 105 -0.102 9.756 -5.164 852 HA ASP 105 HA ASP 105 0.352 11.547 -2.923 853 HB2 ASP 105 1HB ASP 105 -1.737 9.573 -3.672 854 HB3 ASP 105 2HB ASP 105 -1.453 9.678 -1.959 855 H LEU 106 H LEU 106 1.501 8.311 -3.613 856 HA LEU 106 HA LEU 106 2.020 7.420 -0.983 857 HB2 LEU 106 1HB LEU 106 3.805 7.041 -3.433 858 HB3 LEU 106 2HB LEU 106 3.844 6.083 -1.966 859 HG LEU 106 HG LEU 106 1.486 6.246 -3.879 860 HD11 LEU 106 1HD1 LEU 106 3.357 3.931 -3.396 861 HD12 LEU 106 2HD1 LEU 106 3.504 5.050 -4.762 862 HD13 LEU 106 3HD1 LEU 106 2.055 4.042 -4.602 863 HD21 LEU 106 3HD2 LEU 106 1.396 3.985 -2.102 864 HD22 LEU 106 1HD2 LEU 106 0.246 5.344 -2.270 865 HD23 LEU 106 2HD2 LEU 106 1.552 5.423 -1.127 866 H LYS 107 H LYS 107 4.011 9.614 -2.974 867 HA LYS 107 HA LYS 107 6.119 9.808 -1.022 868 HB2 LYS 107 1HB LYS 107 6.921 11.699 -2.242 869 HB3 LYS 107 2HB LYS 107 6.490 10.418 -3.364 870 HG2 LYS 107 1HG LYS 107 4.887 11.639 -4.381 871 HG3 LYS 107 2HG LYS 107 4.259 12.301 -2.873 872 HD2 LYS 107 1HD LYS 107 4.984 14.248 -3.679 873 HD3 LYS 107 2HD LYS 107 6.524 13.736 -2.997 874 HE2 LYS 107 1HE LYS 107 6.796 12.540 -5.368 875 HE3 LYS 107 2HE LYS 107 5.529 13.662 -5.859 876 HZ1 LYS 107 3HZ LYS 107 7.479 15.128 -4.458 877 HZ2 LYS 107 1HZ LYS 107 7.105 15.243 -6.042 878 HZ3 LYS 107 2HZ LYS 107 8.270 14.213 -5.562 879 H LYS 108 H LYS 108 3.018 11.419 -1.187 880 HA LYS 108 HA LYS 108 3.603 13.409 0.873 881 HB2 LYS 108 1HB LYS 108 1.970 13.743 -0.984 882 HB3 LYS 108 2HB LYS 108 1.010 12.392 -0.384 883 HG2 LYS 108 1HG LYS 108 0.755 13.640 1.803 884 HG3 LYS 108 2HG LYS 108 1.488 15.041 1.011 885 HD2 LYS 108 1HD LYS 108 -0.990 13.555 0.020 886 HD3 LYS 108 2HD LYS 108 -1.041 14.959 1.098 887 HE2 LYS 108 1HE LYS 108 0.358 16.177 -0.709 888 HE3 LYS 108 2HE LYS 108 -0.093 14.848 -1.791 889 HZ1 LYS 108 3HZ LYS 108 -1.611 16.860 -1.791 890 HZ2 LYS 108 1HZ LYS 108 -2.114 16.431 -0.302 891 HZ3 LYS 108 2HZ LYS 108 -2.370 15.427 -1.571 892 H ILE 109 H ILE 109 2.145 10.174 0.701 893 HA ILE 109 HA ILE 109 1.240 10.162 3.481 894 HB ILE 109 HB ILE 109 1.594 7.875 1.541 895 HG12 ILE 109 1HG1 ILE 109 -1.100 9.138 2.257 896 HG13 ILE 109 2HG1 ILE 109 -0.180 9.815 0.957 897 HG21 ILE 109 1HG2 ILE 109 -0.474 7.602 3.647 898 HG22 ILE 109 2HG2 ILE 109 0.784 6.501 3.073 899 HG23 ILE 109 3HG2 ILE 109 1.154 7.714 4.288 900 HD11 ILE 109 3HD1 ILE 109 -0.777 6.839 0.984 901 HD12 ILE 109 1HD1 ILE 109 -1.939 8.028 0.366 902 HD13 ILE 109 2HD1 ILE 109 -0.338 7.861 -0.380 903 H PHE 110 H PHE 110 3.841 8.257 1.802 904 HA PHE 110 HA PHE 110 4.967 7.452 4.367 905 HB2 PHE 110 1HB PHE 110 6.135 6.899 1.665 906 HB3 PHE 110 2HB PHE 110 6.327 5.976 3.141 907 HD1 PHE 110 HD2 PHE 110 3.478 5.600 3.997 908 HD2 PHE 110 HD1 PHE 110 5.283 5.426 0.077 909 HE1 PHE 110 HE2 PHE 110 1.602 4.200 3.130 910 HE2 PHE 110 HE1 PHE 110 3.463 3.990 -0.711 911 HZ PHE 110 HZ PHE 110 1.561 3.448 0.797 912 H ASN 111 H ASN 111 5.191 10.343 3.010 913 HA ASN 111 HA ASN 111 6.652 12.040 2.627 914 HB2 ASN 111 1HB ASN 111 7.593 10.928 5.258 915 HB3 ASN 111 2HB ASN 111 8.175 12.435 4.579 916 HD21 ASN 111 2HD2 ASN 111 7.009 14.306 4.916 917 HD22 ASN 111 1HD2 ASN 111 5.417 14.285 5.664 918 H LEU 112 H LEU 112 7.307 10.469 0.807 919 HA LEU 112 HA LEU 112 10.147 9.578 0.876 920 HB2 LEU 112 1HB LEU 112 8.206 9.477 -1.453 921 HB3 LEU 112 2HB LEU 112 9.707 8.590 -1.302 922 HG LEU 112 HG LEU 112 7.489 8.153 0.704 923 HD11 LEU 112 1HD1 LEU 112 7.560 7.250 -2.150 924 HD12 LEU 112 2HD1 LEU 112 6.192 7.634 -1.084 925 HD13 LEU 112 3HD1 LEU 112 7.019 6.113 -0.911 926 HD21 LEU 112 3HD2 LEU 112 9.483 6.173 -0.385 927 HD22 LEU 112 1HD2 LEU 112 8.449 6.026 1.050 928 HD23 LEU 112 2HD2 LEU 112 9.804 7.167 1.062 929 H ALA 113 H ALA 113 8.246 12.226 -0.394 930 HA ALA 113 HA ALA 113 10.530 13.798 -1.191 931 HB1 ALA 113 3HB ALA 113 9.824 14.039 -3.575 932 HB2 ALA 113 1HB ALA 113 10.367 12.397 -3.187 933 HB3 ALA 113 2HB ALA 113 8.638 12.732 -3.342 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -20.320 -18.177 10.874 2 H2 GLY 1 2H GLY 1 -21.668 -17.582 10.160 3 H3 GLY 1 3H GLY 1 -20.441 -18.152 9.239 4 HA2 GLY 1 1HA GLY 1 -20.106 -15.888 9.057 5 HA3 GLY 1 2HA GLY 1 -20.622 -15.649 10.733 6 H SER 2 H SER 2 -17.937 -15.563 8.823 7 HA SER 2 HA SER 2 -15.886 -16.733 10.485 8 HB2 SER 2 1HB SER 2 -15.857 -14.600 8.330 9 HB3 SER 2 2HB SER 2 -14.403 -15.050 9.237 10 HG SER 2 HG SER 2 -16.052 -16.879 7.783 11 H HIS 3 H HIS 3 -15.835 -16.211 12.574 12 HA HIS 3 HA HIS 3 -16.302 -13.654 13.787 13 HB2 HIS 3 1HB HIS 3 -15.162 -16.288 14.638 14 HB3 HIS 3 2HB HIS 3 -14.580 -14.905 15.540 15 HD1 HIS 3 HD1 HIS 3 -18.052 -16.401 14.603 16 HD2 HIS 3 HD2 HIS 3 -16.045 -13.972 17.426 17 HE1 HIS 3 HE1 HIS 3 -19.755 -15.889 16.477 18 HE2 HIS 3 HE2 HIS 3 -18.526 -14.408 18.190 19 H MET 4 H MET 4 -13.339 -15.021 12.474 20 HA MET 4 HA MET 4 -12.010 -12.372 12.631 21 HB2 MET 4 1HB MET 4 -11.408 -14.427 14.457 22 HB3 MET 4 2HB MET 4 -10.171 -14.620 13.216 23 HG2 MET 4 1HG MET 4 -9.579 -12.218 13.462 24 HG3 MET 4 2HG MET 4 -10.846 -12.038 14.680 25 HE1 MET 4 3HE MET 4 -10.665 -12.606 17.122 26 HE2 MET 4 1HE MET 4 -9.051 -12.563 17.862 27 HE3 MET 4 2HE MET 4 -9.567 -11.247 16.784 28 H GLY 5 H GLY 5 -10.739 -11.917 10.875 29 HA2 GLY 5 1HA GLY 5 -9.397 -13.406 9.026 30 HA3 GLY 5 2HA GLY 5 -11.076 -13.618 8.515 31 H SER 6 H SER 6 -10.968 -12.482 6.618 32 HA SER 6 HA SER 6 -9.819 -9.958 6.112 33 HB2 SER 6 1HB SER 6 -12.343 -10.762 4.697 34 HB3 SER 6 2HB SER 6 -10.840 -10.102 4.043 35 HG SER 6 HG SER 6 -11.625 -12.621 4.087 36 H VAL 7 H VAL 7 -11.025 -7.948 5.500 37 HA VAL 7 HA VAL 7 -12.557 -6.903 7.664 38 HB VAL 7 HB VAL 7 -12.450 -5.730 4.870 39 HG11 VAL 7 1HG1 VAL 7 -12.706 -3.580 6.039 40 HG12 VAL 7 2HG1 VAL 7 -14.069 -4.625 6.409 41 HG13 VAL 7 3HG1 VAL 7 -12.772 -4.414 7.606 42 HG21 VAL 7 3HG2 VAL 7 -10.405 -5.724 7.107 43 HG22 VAL 7 1HG2 VAL 7 -10.164 -5.978 5.363 44 HG23 VAL 7 2HG2 VAL 7 -10.513 -4.361 5.981 45 H GLY 8 H GLY 8 -13.640 -8.269 4.603 46 HA2 GLY 8 1HA GLY 8 -15.867 -9.469 4.822 47 HA3 GLY 8 2HA GLY 8 -16.531 -7.938 5.378 48 H LEU 9 H LEU 9 -14.502 -6.860 3.170 49 HA LEU 9 HA LEU 9 -16.280 -7.166 0.799 50 HB2 LEU 9 1HB LEU 9 -15.576 -4.910 0.127 51 HB3 LEU 9 2HB LEU 9 -16.527 -4.938 1.580 52 HG LEU 9 HG LEU 9 -13.521 -4.825 1.843 53 HD11 LEU 9 1HD1 LEU 9 -13.615 -2.365 1.731 54 HD12 LEU 9 2HD1 LEU 9 -15.308 -2.464 1.199 55 HD13 LEU 9 3HD1 LEU 9 -14.001 -3.118 0.181 56 HD21 LEU 9 3HD2 LEU 9 -14.649 -5.013 3.932 57 HD22 LEU 9 1HD2 LEU 9 -15.825 -3.760 3.483 58 HD23 LEU 9 2HD2 LEU 9 -14.122 -3.346 3.774 59 H ARG 10 H ARG 10 -14.801 -6.176 -1.115 60 HA ARG 10 HA ARG 10 -12.314 -7.861 -1.346 61 HB2 ARG 10 1HB ARG 10 -14.668 -7.594 -3.199 62 HB3 ARG 10 2HB ARG 10 -13.080 -7.673 -3.951 63 HG2 ARG 10 1HG ARG 10 -14.057 -9.739 -1.950 64 HG3 ARG 10 2HG ARG 10 -14.262 -9.865 -3.698 65 HD2 ARG 10 1HD ARG 10 -12.222 -10.758 -3.909 66 HD3 ARG 10 2HD ARG 10 -11.517 -9.248 -3.369 67 HE ARG 10 HE ARG 10 -10.963 -10.241 -1.362 68 HH11 ARG 10 1HH1 ARG 10 -13.472 -12.238 -2.747 69 HH12 ARG 10 2HH1 ARG 10 -13.318 -13.457 -1.514 70 HH21 ARG 10 1HH2 ARG 10 -10.778 -11.798 0.157 71 HH22 ARG 10 2HH2 ARG 10 -11.828 -13.194 0.112 72 H GLU 11 H GLU 11 -13.592 -5.501 -3.556 73 HA GLU 11 HA GLU 11 -11.374 -3.565 -2.990 74 HB2 GLU 11 1HB GLU 11 -11.726 -5.297 -5.379 75 HB3 GLU 11 2HB GLU 11 -11.282 -3.618 -5.693 76 HG2 GLU 11 1HG GLU 11 -9.229 -3.785 -4.714 77 HG3 GLU 11 2HG GLU 11 -9.676 -5.079 -3.622 78 H ILE 12 H ILE 12 -14.453 -4.233 -4.633 79 HA ILE 12 HA ILE 12 -14.973 -1.636 -5.584 80 HB ILE 12 HB ILE 12 -16.208 -3.505 -6.396 81 HG12 ILE 12 1HG1 ILE 12 -18.515 -2.628 -6.310 82 HG13 ILE 12 2HG1 ILE 12 -18.105 -1.600 -4.943 83 HG21 ILE 12 1HG2 ILE 12 -17.970 -3.796 -3.983 84 HG22 ILE 12 2HG2 ILE 12 -17.520 -4.975 -5.229 85 HG23 ILE 12 3HG2 ILE 12 -16.396 -4.583 -3.922 86 HD11 ILE 12 3HD1 ILE 12 -18.171 -0.339 -7.056 87 HD12 ILE 12 1HD1 ILE 12 -16.549 -0.291 -6.365 88 HD13 ILE 12 2HD1 ILE 12 -16.896 -1.375 -7.735 89 H ILE 13 H ILE 13 -15.122 0.145 -4.570 90 HA ILE 13 HA ILE 13 -16.607 0.518 -2.048 91 HB ILE 13 HB ILE 13 -14.733 1.792 -1.089 92 HG12 ILE 13 1HG1 ILE 13 -12.383 0.840 -2.113 93 HG13 ILE 13 2HG1 ILE 13 -13.272 1.026 -3.603 94 HG21 ILE 13 1HG2 ILE 13 -13.823 -1.038 -1.482 95 HG22 ILE 13 2HG2 ILE 13 -13.679 0.034 -0.068 96 HG23 ILE 13 3HG2 ILE 13 -15.255 -0.599 -0.522 97 HD11 ILE 13 3HD1 ILE 13 -13.012 3.268 -1.549 98 HD12 ILE 13 1HD1 ILE 13 -11.872 3.007 -2.854 99 HD13 ILE 13 2HD1 ILE 13 -13.569 3.397 -3.231 100 H SER 14 H SER 14 -16.357 2.960 -1.439 101 HA SER 14 HA SER 14 -16.649 4.699 -3.836 102 HB2 SER 14 1HB SER 14 -18.526 5.731 -3.005 103 HB3 SER 14 2HB SER 14 -18.827 4.059 -2.515 104 HG SER 14 HG SER 14 -19.108 5.809 -0.885 105 H GLU 15 H GLU 15 -16.598 7.105 -2.927 106 HA GLU 15 HA GLU 15 -14.012 7.755 -2.058 107 HB2 GLU 15 1HB GLU 15 -15.756 9.185 -3.206 108 HB3 GLU 15 2HB GLU 15 -16.550 9.371 -1.650 109 HG2 GLU 15 1HG GLU 15 -13.735 10.085 -1.379 110 HG3 GLU 15 2HG GLU 15 -14.375 10.857 -2.815 111 H GLU 16 H GLU 16 -16.684 6.757 -0.026 112 HA GLU 16 HA GLU 16 -15.889 7.827 2.501 113 HB2 GLU 16 1HB GLU 16 -17.268 5.199 1.819 114 HB3 GLU 16 2HB GLU 16 -17.099 5.873 3.450 115 HG2 GLU 16 1HG GLU 16 -18.368 7.881 2.766 116 HG3 GLU 16 2HG GLU 16 -18.553 7.223 1.138 117 H ASP 17 H ASP 17 -15.132 4.542 1.194 118 HA ASP 17 HA ASP 17 -13.222 3.852 3.258 119 HB2 ASP 17 1HB ASP 17 -13.921 1.985 2.063 120 HB3 ASP 17 2HB ASP 17 -13.909 2.848 0.531 121 H VAL 18 H VAL 18 -12.850 5.411 0.022 122 HA VAL 18 HA VAL 18 -10.080 5.509 -0.009 123 HB VAL 18 HB VAL 18 -11.835 7.728 -1.088 124 HG11 VAL 18 1HG1 VAL 18 -9.602 7.579 -2.708 125 HG12 VAL 18 2HG1 VAL 18 -9.843 8.740 -1.390 126 HG13 VAL 18 3HG1 VAL 18 -8.898 7.272 -1.138 127 HG21 VAL 18 3HG2 VAL 18 -11.344 6.352 -3.268 128 HG22 VAL 18 1HG2 VAL 18 -11.004 5.024 -2.145 129 HG23 VAL 18 2HG2 VAL 18 -12.586 5.791 -2.158 130 H LYS 19 H LYS 19 -12.232 7.610 1.897 131 HA LYS 19 HA LYS 19 -10.020 9.289 2.880 132 HB2 LYS 19 1HB LYS 19 -12.855 8.868 3.933 133 HB3 LYS 19 2HB LYS 19 -11.741 10.083 4.535 134 HG2 LYS 19 1HG LYS 19 -12.790 9.925 1.672 135 HG3 LYS 19 2HG LYS 19 -13.435 10.966 2.924 136 HD2 LYS 19 1HD LYS 19 -10.637 11.131 1.706 137 HD3 LYS 19 2HD LYS 19 -12.018 12.184 1.370 138 HE2 LYS 19 1HE LYS 19 -12.069 12.664 3.907 139 HE3 LYS 19 2HE LYS 19 -10.475 11.902 3.977 140 HZ1 LYS 19 3HZ LYS 19 -10.468 13.806 1.899 141 HZ2 LYS 19 1HZ LYS 19 -9.614 13.854 3.291 142 HZ3 LYS 19 2HZ LYS 19 -11.096 14.532 3.218 143 H GLN 20 H GLN 20 -11.694 6.390 4.167 144 HA GLN 20 HA GLN 20 -10.338 6.498 6.731 145 HB2 GLN 20 1HB GLN 20 -12.468 5.436 6.589 146 HB3 GLN 20 2HB GLN 20 -11.920 4.290 5.354 147 HG2 GLN 20 1HG GLN 20 -10.473 3.159 6.885 148 HG3 GLN 20 2HG GLN 20 -10.577 4.455 8.083 149 HE21 GLN 20 2HE2 GLN 20 -10.953 1.883 8.970 150 HE22 GLN 20 1HE2 GLN 20 -12.657 1.687 9.359 151 H VAL 21 H VAL 21 -9.812 4.442 3.801 152 HA VAL 21 HA VAL 21 -7.496 3.106 4.772 153 HB VAL 21 HB VAL 21 -8.782 2.430 2.817 154 HG11 VAL 21 1HG1 VAL 21 -7.287 4.341 1.050 155 HG12 VAL 21 2HG1 VAL 21 -8.855 3.496 0.829 156 HG13 VAL 21 3HG1 VAL 21 -8.744 4.917 1.854 157 HG21 VAL 21 3HG2 VAL 21 -6.929 1.696 1.424 158 HG22 VAL 21 1HG2 VAL 21 -5.848 2.880 2.187 159 HG23 VAL 21 2HG2 VAL 21 -6.522 1.541 3.145 160 H TYR 22 H TYR 22 -7.740 6.303 3.130 161 HA TYR 22 HA TYR 22 -4.966 6.826 3.019 162 HB2 TYR 22 1HB TYR 22 -7.400 8.485 2.848 163 HB3 TYR 22 2HB TYR 22 -5.958 9.307 3.386 164 HD1 TYR 22 HD1 TYR 22 -7.026 6.912 0.690 165 HD2 TYR 22 HD2 TYR 22 -4.365 10.092 1.847 166 HE1 TYR 22 HE1 TYR 22 -6.256 7.125 -1.663 167 HE2 TYR 22 HE2 TYR 22 -3.508 10.211 -0.481 168 HH TYR 22 HH TYR 22 -3.630 9.342 -2.581 169 H SER 23 H SER 23 -7.133 6.980 5.774 170 HA SER 23 HA SER 23 -5.246 8.377 7.532 171 HB2 SER 23 1HB SER 23 -7.488 8.781 8.002 172 HB3 SER 23 2HB SER 23 -7.949 7.087 7.879 173 HG SER 23 HG SER 23 -7.878 7.643 10.029 174 H ILE 24 H ILE 24 -5.986 5.009 6.749 175 HA ILE 24 HA ILE 24 -4.633 3.795 8.996 176 HB ILE 24 HB ILE 24 -5.074 2.594 6.226 177 HG12 ILE 24 1HG1 ILE 24 -6.787 2.366 8.749 178 HG13 ILE 24 2HG1 ILE 24 -7.193 3.298 7.316 179 HG21 ILE 24 1HG2 ILE 24 -4.413 1.315 8.922 180 HG22 ILE 24 2HG2 ILE 24 -4.842 0.426 7.454 181 HG23 ILE 24 3HG2 ILE 24 -3.364 1.367 7.487 182 HD11 ILE 24 3HD1 ILE 24 -8.430 1.333 7.087 183 HD12 ILE 24 1HD1 ILE 24 -7.054 1.132 5.974 184 HD13 ILE 24 2HD1 ILE 24 -7.073 0.291 7.540 185 H LEU 25 H LEU 25 -3.471 4.356 5.611 186 HA LEU 25 HA LEU 25 -0.759 3.690 6.462 187 HB2 LEU 25 1HB LEU 25 -0.334 4.555 4.025 188 HB3 LEU 25 2HB LEU 25 -0.842 2.937 4.374 189 HG LEU 25 HG LEU 25 -3.134 3.474 3.675 190 HD11 LEU 25 1HD1 LEU 25 -3.331 5.710 2.381 191 HD12 LEU 25 2HD1 LEU 25 -1.948 6.247 3.331 192 HD13 LEU 25 3HD1 LEU 25 -3.398 5.762 4.163 193 HD21 LEU 25 3HD2 LEU 25 -1.031 4.366 1.659 194 HD22 LEU 25 1HD2 LEU 25 -2.659 3.756 1.302 195 HD23 LEU 25 2HD2 LEU 25 -1.454 2.682 2.032 196 H LYS 26 H LYS 26 -2.494 6.560 6.683 197 HA LYS 26 HA LYS 26 -0.559 8.523 6.138 198 HB2 LYS 26 1HB LYS 26 -3.139 8.509 7.204 199 HB3 LYS 26 2HB LYS 26 -2.208 9.012 8.581 200 HG2 LYS 26 1HG LYS 26 -2.921 10.989 7.426 201 HG3 LYS 26 2HG LYS 26 -1.186 10.820 7.174 202 HD2 LYS 26 1HD LYS 26 -2.030 9.535 4.925 203 HD3 LYS 26 2HD LYS 26 -3.496 10.430 5.244 204 HE2 LYS 26 1HE LYS 26 -2.050 11.561 3.633 205 HE3 LYS 26 2HE LYS 26 -2.304 12.563 5.067 206 HZ1 LYS 26 3HZ LYS 26 0.080 12.344 4.166 207 HZ2 LYS 26 1HZ LYS 26 0.101 10.851 4.833 208 HZ3 LYS 26 2HZ LYS 26 -0.111 12.168 5.772 209 H GLU 27 H GLU 27 -0.472 6.302 8.748 210 HA GLU 27 HA GLU 27 1.383 7.896 10.383 211 HB2 GLU 27 1HB GLU 27 -0.335 6.375 11.344 212 HB3 GLU 27 2HB GLU 27 0.512 4.987 10.671 213 HG2 GLU 27 1HG GLU 27 2.194 5.069 12.227 214 HG3 GLU 27 2HG GLU 27 2.266 6.824 12.233 215 H LYS 28 H LYS 28 3.487 8.046 9.977 216 HA LYS 28 HA LYS 28 4.874 6.048 8.331 217 HB2 LYS 28 1HB LYS 28 5.880 8.715 9.311 218 HB3 LYS 28 2HB LYS 28 6.770 7.556 8.324 219 HG2 LYS 28 1HG LYS 28 6.019 8.834 6.635 220 HG3 LYS 28 2HG LYS 28 4.733 7.645 6.698 221 HD2 LYS 28 1HD LYS 28 3.805 9.854 6.403 222 HD3 LYS 28 2HD LYS 28 3.341 9.284 8.005 223 HE2 LYS 28 1HE LYS 28 4.815 10.787 9.091 224 HE3 LYS 28 2HE LYS 28 5.880 10.879 7.684 225 HZ1 LYS 28 3HZ LYS 28 4.761 12.908 7.668 226 HZ2 LYS 28 1HZ LYS 28 3.312 12.278 8.077 227 HZ3 LYS 28 2HZ LYS 28 3.904 12.056 6.569 228 H ASP 29 H ASP 29 4.109 5.747 11.303 229 HA ASP 29 HA ASP 29 6.778 4.981 12.414 230 HB2 ASP 29 1HB ASP 29 5.146 6.634 13.558 231 HB3 ASP 29 2HB ASP 29 4.213 5.204 13.994 232 H ILE 30 H ILE 30 4.582 3.459 10.663 233 HA ILE 30 HA ILE 30 4.115 1.008 12.157 234 HB ILE 30 HB ILE 30 2.999 0.216 10.156 235 HG12 ILE 30 1HG1 ILE 30 2.799 2.059 8.266 236 HG13 ILE 30 2HG1 ILE 30 4.341 2.593 8.866 237 HG21 ILE 30 1HG2 ILE 30 1.277 2.005 9.922 238 HG22 ILE 30 2HG2 ILE 30 1.677 1.602 11.599 239 HG23 ILE 30 3HG2 ILE 30 2.297 3.094 10.851 240 HD11 ILE 30 3HD1 ILE 30 3.855 -0.319 8.137 241 HD12 ILE 30 1HD1 ILE 30 4.250 0.857 6.896 242 HD13 ILE 30 2HD1 ILE 30 5.408 0.548 8.175 243 H SER 31 H SER 31 6.896 2.081 10.651 244 HA SER 31 HA SER 31 7.791 0.154 8.890 245 HB2 SER 31 1HB SER 31 10.089 0.886 9.444 246 HB3 SER 31 2HB SER 31 8.962 2.214 9.160 247 HG SER 31 HG SER 31 10.009 1.315 11.639 248 H VAL 32 H VAL 32 8.129 -2.001 8.983 249 HA VAL 32 HA VAL 32 8.197 -3.272 11.619 250 HB VAL 32 HB VAL 32 6.820 -4.082 9.683 251 HG11 VAL 32 1HG1 VAL 32 7.722 -5.337 7.938 252 HG12 VAL 32 2HG1 VAL 32 8.703 -3.863 8.016 253 HG13 VAL 32 3HG1 VAL 32 9.357 -5.373 8.656 254 HG21 VAL 32 3HG2 VAL 32 8.376 -6.478 10.421 255 HG22 VAL 32 1HG2 VAL 32 7.915 -5.469 11.803 256 HG23 VAL 32 2HG2 VAL 32 6.671 -6.032 10.714 257 H ASP 33 H ASP 33 9.808 -4.770 12.317 258 HA ASP 33 HA ASP 33 12.505 -3.843 12.023 259 HB2 ASP 33 1HB ASP 33 11.085 -5.355 13.871 260 HB3 ASP 33 2HB ASP 33 12.057 -6.597 13.097 261 H SER 34 H SER 34 14.257 -4.678 10.804 262 HA SER 34 HA SER 34 13.776 -6.008 8.377 263 HB2 SER 34 1HB SER 34 16.362 -5.784 9.957 264 HB3 SER 34 2HB SER 34 16.247 -6.347 8.278 265 HG SER 34 HG SER 34 16.689 -4.144 8.280 266 H THR 35 H THR 35 14.369 -7.484 11.494 267 HA THR 35 HA THR 35 14.938 -10.166 10.487 268 HB THR 35 HB THR 35 14.016 -9.258 13.244 269 HG1 THR 35 HG1 THR 35 16.001 -8.706 13.432 270 HG21 THR 35 3HG2 THR 35 14.984 -11.935 12.170 271 HG22 THR 35 1HG2 THR 35 13.567 -11.589 13.190 272 HG23 THR 35 2HG2 THR 35 15.196 -11.482 13.874 273 H THR 36 H THR 36 12.022 -8.848 12.171 274 HA THR 36 HA THR 36 10.298 -11.020 11.475 275 HB THR 36 HB THR 36 9.622 -8.146 12.219 276 HG1 THR 36 HG1 THR 36 9.735 -10.513 13.786 277 HG21 THR 36 3HG2 THR 36 7.499 -9.290 13.133 278 HG22 THR 36 1HG2 THR 36 7.906 -10.654 12.064 279 HG23 THR 36 2HG2 THR 36 7.598 -9.039 11.387 280 H TRP 37 H TRP 37 11.217 -8.152 9.644 281 HA TRP 37 HA TRP 37 9.258 -7.958 7.767 282 HB2 TRP 37 1HB TRP 37 11.174 -6.484 7.783 283 HB3 TRP 37 2HB TRP 37 12.241 -7.804 7.328 284 HD1 TRP 37 HD1 TRP 37 13.079 -7.019 5.043 285 HE1 TRP 37 HE1 TRP 37 12.001 -6.605 2.743 286 HE3 TRP 37 HE3 TRP 37 8.123 -6.979 6.417 287 HZ2 TRP 37 HZ2 TRP 37 9.321 -6.677 1.615 288 HZ3 TRP 37 HZ3 TRP 37 6.385 -6.984 4.722 289 HH2 TRP 37 HH2 TRP 37 6.925 -6.838 2.326 290 H ASN 38 H ASN 38 11.867 -10.365 7.712 291 HA ASN 38 HA ASN 38 11.335 -11.510 5.198 292 HB2 ASN 38 1HB ASN 38 13.323 -11.816 6.799 293 HB3 ASN 38 2HB ASN 38 12.335 -13.004 7.655 294 HD21 ASN 38 2HD2 ASN 38 13.735 -14.782 7.125 295 HD22 ASN 38 1HD2 ASN 38 13.918 -15.310 5.455 296 H ARG 39 H ARG 39 9.671 -12.062 8.247 297 HA ARG 39 HA ARG 39 7.959 -14.252 7.184 298 HB2 ARG 39 1HB ARG 39 8.087 -12.867 9.897 299 HB3 ARG 39 2HB ARG 39 6.801 -13.976 9.434 300 HG2 ARG 39 1HG ARG 39 8.340 -15.260 10.640 301 HG3 ARG 39 2HG ARG 39 8.502 -15.750 8.955 302 HD2 ARG 39 1HD ARG 39 10.549 -14.576 8.682 303 HD3 ARG 39 2HD ARG 39 10.357 -13.675 10.192 304 HE ARG 39 HE ARG 39 11.501 -16.310 9.859 305 HH11 ARG 39 1HH1 ARG 39 9.713 -14.453 12.232 306 HH12 ARG 39 2HH1 ARG 39 10.280 -15.430 13.556 307 HH21 ARG 39 1HH2 ARG 39 12.203 -17.496 11.586 308 HH22 ARG 39 2HH2 ARG 39 11.661 -17.099 13.190 309 H ARG 40 H ARG 40 7.648 -10.860 8.168 310 HA ARG 40 HA ARG 40 4.876 -10.422 7.687 311 HB2 ARG 40 1HB ARG 40 7.311 -8.689 7.532 312 HB3 ARG 40 2HB ARG 40 5.761 -8.025 7.034 313 HG2 ARG 40 1HG ARG 40 6.070 -9.426 9.700 314 HG3 ARG 40 2HG ARG 40 6.552 -7.738 9.453 315 HD2 ARG 40 1HD ARG 40 4.485 -6.938 9.296 316 HD3 ARG 40 2HD ARG 40 3.835 -8.381 8.485 317 HE ARG 40 HE ARG 40 4.208 -9.382 10.939 318 HH11 ARG 40 1HH1 ARG 40 2.493 -6.541 9.900 319 HH12 ARG 40 2HH1 ARG 40 1.325 -6.653 11.195 320 HH21 ARG 40 1HH2 ARG 40 2.725 -9.492 12.555 321 HH22 ARG 40 2HH2 ARG 40 1.463 -8.302 12.662 322 H TYR 41 H TYR 41 7.554 -10.501 5.391 323 HA TYR 41 HA TYR 41 6.254 -9.677 3.066 324 HB2 TYR 41 1HB TYR 41 8.724 -10.465 3.540 325 HB3 TYR 41 2HB TYR 41 8.151 -12.046 3.036 326 HD1 TYR 41 HD2 TYR 41 6.689 -11.918 0.702 327 HD2 TYR 41 HD1 TYR 41 9.778 -9.186 1.934 328 HE1 TYR 41 HE2 TYR 41 6.897 -11.093 -1.637 329 HE2 TYR 41 HE1 TYR 41 10.019 -8.397 -0.418 330 HH TYR 41 HH TYR 41 9.326 -8.752 -2.678 331 H ARG 42 H ARG 42 6.137 -12.870 4.660 332 HA ARG 42 HA ARG 42 4.685 -14.245 2.588 333 HB2 ARG 42 1HB ARG 42 6.068 -15.201 4.666 334 HB3 ARG 42 2HB ARG 42 4.509 -15.115 5.479 335 HG2 ARG 42 1HG ARG 42 4.242 -17.215 4.570 336 HG3 ARG 42 2HG ARG 42 3.676 -16.298 3.182 337 HD2 ARG 42 1HD ARG 42 5.213 -17.658 2.149 338 HD3 ARG 42 2HD ARG 42 6.260 -16.276 2.515 339 HE ARG 42 HE ARG 42 6.377 -17.984 4.757 340 HH11 ARG 42 1HH1 ARG 42 7.335 -18.251 1.413 341 HH12 ARG 42 2HH1 ARG 42 8.444 -19.557 1.735 342 HH21 ARG 42 1HH2 ARG 42 7.769 -19.652 5.116 343 HH22 ARG 42 2HH2 ARG 42 8.682 -20.321 3.797 344 H GLU 43 H GLU 43 3.480 -13.007 5.744 345 HA GLU 43 HA GLU 43 0.702 -13.520 5.237 346 HB2 GLU 43 1HB GLU 43 0.256 -11.682 6.878 347 HB3 GLU 43 2HB GLU 43 1.262 -13.027 7.450 348 HG2 GLU 43 1HG GLU 43 3.270 -11.630 7.124 349 HG3 GLU 43 2HG GLU 43 2.239 -10.259 6.668 350 H TYR 44 H TYR 44 2.583 -10.531 4.590 351 HA TYR 44 HA TYR 44 0.433 -9.155 3.322 352 HB2 TYR 44 1HB TYR 44 3.435 -8.886 3.090 353 HB3 TYR 44 2HB TYR 44 2.287 -7.741 2.456 354 HD1 TYR 44 HD2 TYR 44 0.413 -8.197 5.181 355 HD2 TYR 44 HD1 TYR 44 4.445 -7.056 4.262 356 HE1 TYR 44 HE2 TYR 44 0.520 -6.905 7.296 357 HE2 TYR 44 HE1 TYR 44 4.637 -5.924 6.574 358 HH TYR 44 HH TYR 44 1.946 -4.926 8.230 359 H MET 45 H MET 45 2.834 -11.383 1.892 360 HA MET 45 HA MET 45 2.219 -11.036 -0.830 361 HB2 MET 45 1HB MET 45 3.436 -13.157 0.821 362 HB3 MET 45 2HB MET 45 2.504 -13.839 -0.474 363 HG2 MET 45 1HG MET 45 4.077 -11.716 -1.603 364 HG3 MET 45 2HG MET 45 5.100 -12.661 -0.529 365 HE1 MET 45 3HE MET 45 5.869 -12.497 -3.578 366 HE2 MET 45 1HE MET 45 6.711 -13.412 -2.303 367 HE3 MET 45 2HE MET 45 6.281 -14.209 -3.830 368 H GLU 46 H GLU 46 0.364 -12.823 1.604 369 HA GLU 46 HA GLU 46 -1.534 -13.950 -0.315 370 HB2 GLU 46 1HB GLU 46 -1.935 -13.626 2.672 371 HB3 GLU 46 2HB GLU 46 -2.765 -14.732 1.548 372 HG2 GLU 46 1HG GLU 46 -0.636 -15.889 1.106 373 HG3 GLU 46 2HG GLU 46 0.199 -14.798 2.198 374 H LYS 47 H LYS 47 -1.492 -11.119 1.854 375 HA LYS 47 HA LYS 47 -4.145 -10.229 1.405 376 HB2 LYS 47 1HB LYS 47 -1.585 -8.833 2.180 377 HB3 LYS 47 2HB LYS 47 -2.921 -7.854 1.619 378 HG2 LYS 47 1HG LYS 47 -3.020 -7.809 3.897 379 HG3 LYS 47 2HG LYS 47 -4.393 -8.794 3.371 380 HD2 LYS 47 1HD LYS 47 -3.428 -10.773 4.267 381 HD3 LYS 47 2HD LYS 47 -1.787 -10.074 4.239 382 HE2 LYS 47 1HE LYS 47 -2.419 -8.425 5.944 383 HE3 LYS 47 2HE LYS 47 -4.039 -9.141 6.044 384 HZ1 LYS 47 3HZ LYS 47 -1.472 -10.391 6.849 385 HZ2 LYS 47 1HZ LYS 47 -2.856 -11.261 6.694 386 HZ3 LYS 47 2HZ LYS 47 -2.753 -10.063 7.798 387 H ILE 48 H ILE 48 -1.492 -10.191 -0.821 388 HA ILE 48 HA ILE 48 -2.500 -8.156 -2.600 389 HB ILE 48 HB ILE 48 -0.717 -10.432 -3.481 390 HG12 ILE 48 1HG1 ILE 48 0.357 -9.806 -1.466 391 HG13 ILE 48 2HG1 ILE 48 1.214 -9.000 -2.759 392 HG21 ILE 48 1HG2 ILE 48 -1.342 -8.881 -5.242 393 HG22 ILE 48 2HG2 ILE 48 -0.939 -7.482 -4.230 394 HG23 ILE 48 3HG2 ILE 48 0.335 -8.577 -4.780 395 HD11 ILE 48 3HD1 ILE 48 -0.499 -7.786 -0.606 396 HD12 ILE 48 1HD1 ILE 48 1.028 -7.217 -1.344 397 HD13 ILE 48 2HD1 ILE 48 -0.504 -6.967 -2.163 398 H LYS 49 H LYS 49 -3.420 -11.387 -2.090 399 HA LYS 49 HA LYS 49 -4.999 -11.553 -4.651 400 HB2 LYS 49 1HB LYS 49 -4.076 -13.857 -2.930 401 HB3 LYS 49 2HB LYS 49 -4.674 -13.917 -4.584 402 HG2 LYS 49 1HG LYS 49 -2.631 -12.857 -5.429 403 HG3 LYS 49 2HG LYS 49 -2.000 -12.637 -3.792 404 HD2 LYS 49 1HD LYS 49 -2.571 -15.321 -5.086 405 HD3 LYS 49 2HD LYS 49 -0.980 -14.578 -4.910 406 HE2 LYS 49 1HE LYS 49 -0.752 -15.244 -2.761 407 HE3 LYS 49 2HE LYS 49 -2.319 -14.596 -2.316 408 HZ1 LYS 49 3HZ LYS 49 -1.736 -17.304 -3.344 409 HZ2 LYS 49 1HZ LYS 49 -3.253 -16.703 -3.421 410 HZ3 LYS 49 2HZ LYS 49 -2.523 -16.892 -1.975 411 H THR 50 H THR 50 -5.051 -12.013 -1.177 412 HA THR 50 HA THR 50 -7.986 -12.696 -1.235 413 HB THR 50 HB THR 50 -7.781 -13.830 0.775 414 HG1 THR 50 HG1 THR 50 -6.135 -13.654 2.178 415 HG21 THR 50 3HG2 THR 50 -6.137 -15.528 0.463 416 HG22 THR 50 1HG2 THR 50 -5.049 -14.428 -0.405 417 HG23 THR 50 2HG2 THR 50 -6.562 -14.979 -1.173 418 H GLY 51 H GLY 51 -5.617 -10.532 0.077 419 HA2 GLY 51 1HA GLY 51 -7.112 -9.311 2.146 420 HA3 GLY 51 2HA GLY 51 -5.682 -8.626 1.377 421 H SER 52 H SER 52 -8.199 -7.491 2.283 422 HA SER 52 HA SER 52 -9.587 -6.567 -0.090 423 HB2 SER 52 1HB SER 52 -10.431 -7.012 2.360 424 HB3 SER 52 2HB SER 52 -9.850 -5.361 2.674 425 HG SER 52 HG SER 52 -11.474 -6.014 0.432 426 H VAL 53 H VAL 53 -10.140 -4.100 -0.064 427 HA VAL 53 HA VAL 53 -8.023 -2.509 -0.943 428 HB VAL 53 HB VAL 53 -10.257 -1.905 -1.402 429 HG11 VAL 53 1HG1 VAL 53 -10.737 -1.249 1.505 430 HG12 VAL 53 2HG1 VAL 53 -11.827 -1.022 0.143 431 HG13 VAL 53 3HG1 VAL 53 -11.396 -2.662 0.627 432 HG21 VAL 53 3HG2 VAL 53 -9.331 0.333 0.419 433 HG22 VAL 53 1HG2 VAL 53 -8.453 -0.088 -1.071 434 HG23 VAL 53 2HG2 VAL 53 -10.143 0.408 -1.160 435 H PHE 54 H PHE 54 -9.377 -2.423 2.329 436 HA PHE 54 HA PHE 54 -7.595 -0.559 3.490 437 HB2 PHE 54 1HB PHE 54 -9.131 -2.911 4.671 438 HB3 PHE 54 2HB PHE 54 -8.332 -1.671 5.636 439 HD1 PHE 54 HD1 PHE 54 -9.000 0.861 4.910 440 HD2 PHE 54 HD2 PHE 54 -11.441 -2.605 4.155 441 HE1 PHE 54 HE1 PHE 54 -10.998 2.299 4.761 442 HE2 PHE 54 HE2 PHE 54 -13.439 -1.112 3.977 443 HZ PHE 54 HZ PHE 54 -13.232 1.311 4.428 444 H GLU 55 H GLU 55 -7.131 -3.944 2.767 445 HA GLU 55 HA GLU 55 -4.754 -4.259 4.481 446 HB2 GLU 55 1HB GLU 55 -6.030 -6.229 2.546 447 HB3 GLU 55 2HB GLU 55 -4.787 -6.539 3.748 448 HG2 GLU 55 1HG GLU 55 -6.346 -5.903 5.566 449 HG3 GLU 55 2HG GLU 55 -7.623 -5.633 4.373 450 H ILE 56 H ILE 56 -5.483 -4.243 0.948 451 HA ILE 56 HA ILE 56 -2.875 -4.549 -0.078 452 HB ILE 56 HB ILE 56 -5.279 -3.005 -1.048 453 HG12 ILE 56 1HG1 ILE 56 -5.419 -5.479 -0.958 454 HG13 ILE 56 2HG1 ILE 56 -5.604 -4.818 -2.578 455 HG21 ILE 56 1HG2 ILE 56 -3.460 -1.826 -2.104 456 HG22 ILE 56 2HG2 ILE 56 -2.662 -3.341 -2.563 457 HG23 ILE 56 3HG2 ILE 56 -4.226 -2.867 -3.275 458 HD11 ILE 56 3HD1 ILE 56 -3.139 -6.196 -1.447 459 HD12 ILE 56 1HD1 ILE 56 -4.288 -6.825 -2.645 460 HD13 ILE 56 2HD1 ILE 56 -3.231 -5.465 -3.062 461 H ALA 57 H ALA 57 -4.555 -1.500 0.729 462 HA ALA 57 HA ALA 57 -2.363 0.246 0.264 463 HB1 ALA 57 3HB ALA 57 -4.805 0.319 2.034 464 HB2 ALA 57 1HB ALA 57 -3.647 1.659 2.020 465 HB3 ALA 57 2HB ALA 57 -4.487 1.205 0.524 466 H GLU 58 H GLU 58 -3.209 -1.521 3.300 467 HA GLU 58 HA GLU 58 -1.011 -0.507 4.854 468 HB2 GLU 58 1HB GLU 58 -2.893 -2.857 5.065 469 HB3 GLU 58 2HB GLU 58 -1.398 -2.922 5.979 470 HG2 GLU 58 1HG GLU 58 -2.088 -0.466 6.706 471 HG3 GLU 58 2HG GLU 58 -3.686 -1.001 6.223 472 H VAL 59 H VAL 59 -1.215 -3.270 2.646 473 HA VAL 59 HA VAL 59 1.309 -4.431 3.326 474 HB VAL 59 HB VAL 59 -0.261 -4.562 0.720 475 HG11 VAL 59 1HG1 VAL 59 1.806 -5.278 -0.003 476 HG12 VAL 59 2HG1 VAL 59 2.335 -5.762 1.620 477 HG13 VAL 59 3HG1 VAL 59 1.228 -6.794 0.723 478 HG21 VAL 59 3HG2 VAL 59 -0.091 -6.948 2.478 479 HG22 VAL 59 1HG2 VAL 59 -1.012 -5.619 3.163 480 HG23 VAL 59 2HG2 VAL 59 -1.443 -6.239 1.564 481 H LEU 60 H LEU 60 0.518 -2.428 0.437 482 HA LEU 60 HA LEU 60 3.233 -2.134 -0.384 483 HB2 LEU 60 1HB LEU 60 2.284 -1.355 -2.135 484 HB3 LEU 60 2HB LEU 60 0.710 -1.344 -1.377 485 HG LEU 60 HG LEU 60 2.648 1.017 -1.230 486 HD11 LEU 60 1HD1 LEU 60 2.042 0.337 -3.535 487 HD12 LEU 60 2HD1 LEU 60 1.535 1.957 -3.081 488 HD13 LEU 60 3HD1 LEU 60 0.349 0.618 -3.138 489 HD21 LEU 60 3HD2 LEU 60 0.358 2.219 -0.947 490 HD22 LEU 60 1HD2 LEU 60 0.951 1.362 0.432 491 HD23 LEU 60 2HD2 LEU 60 -0.290 0.609 -0.567 492 H ARG 61 H ARG 61 1.377 -0.297 1.936 493 HA ARG 61 HA ARG 61 3.163 1.874 2.423 494 HB2 ARG 61 1HB ARG 61 0.898 1.891 3.259 495 HB3 ARG 61 2HB ARG 61 1.134 0.384 4.105 496 HG2 ARG 61 1HG ARG 61 2.964 1.772 5.461 497 HG3 ARG 61 2HG ARG 61 2.019 3.134 4.926 498 HD2 ARG 61 1HD ARG 61 1.121 2.573 6.975 499 HD3 ARG 61 2HD ARG 61 -0.006 1.814 5.832 500 HE ARG 61 HE ARG 61 1.885 -0.174 6.445 501 HH11 ARG 61 1HH1 ARG 61 -0.648 1.561 8.191 502 HH12 ARG 61 2HH1 ARG 61 -0.925 0.164 9.200 503 HH21 ARG 61 1HH2 ARG 61 1.514 -1.786 7.846 504 HH22 ARG 61 2HH2 ARG 61 -0.029 -1.730 8.708 505 H ASP 62 H ASP 62 2.923 -1.265 4.161 506 HA ASP 62 HA ASP 62 5.226 -0.925 5.793 507 HB2 ASP 62 1HB ASP 62 3.621 -3.257 4.836 508 HB3 ASP 62 2HB ASP 62 5.284 -3.605 5.297 509 H LEU 63 H LEU 63 5.068 -2.501 2.586 510 HA LEU 63 HA LEU 63 7.835 -2.966 2.211 511 HB2 LEU 63 1HB LEU 63 5.593 -2.350 0.282 512 HB3 LEU 63 2HB LEU 63 7.212 -2.733 -0.281 513 HG LEU 63 HG LEU 63 6.141 -4.655 1.734 514 HD11 LEU 63 1HD1 LEU 63 4.590 -5.747 0.422 515 HD12 LEU 63 2HD1 LEU 63 4.989 -4.844 -1.062 516 HD13 LEU 63 3HD1 LEU 63 4.117 -4.069 0.269 517 HD21 LEU 63 3HD2 LEU 63 7.106 -6.283 0.140 518 HD22 LEU 63 1HD2 LEU 63 8.266 -4.976 0.482 519 HD23 LEU 63 2HD2 LEU 63 7.350 -4.989 -1.036 520 H TYR 64 H TYR 64 6.042 0.080 1.535 521 HA TYR 64 HA TYR 64 8.341 1.421 0.477 522 HB2 TYR 64 1HB TYR 64 5.598 2.209 1.292 523 HB3 TYR 64 2HB TYR 64 6.807 3.472 1.424 524 HD1 TYR 64 HD2 TYR 64 8.564 3.541 -0.631 525 HD2 TYR 64 HD1 TYR 64 4.527 2.062 -0.792 526 HE1 TYR 64 HE2 TYR 64 8.514 3.972 -3.076 527 HE2 TYR 64 HE1 TYR 64 4.456 2.528 -3.230 528 HH TYR 64 HH TYR 64 7.132 4.216 -4.884 529 H LEU 65 H LEU 65 6.929 1.483 3.763 530 HA LEU 65 HA LEU 65 8.981 3.242 4.818 531 HB2 LEU 65 1HB LEU 65 6.945 1.417 6.144 532 HB3 LEU 65 2HB LEU 65 8.174 2.307 7.028 533 HG LEU 65 HG LEU 65 7.228 4.441 5.737 534 HD11 LEU 65 1HD1 LEU 65 4.742 4.287 5.567 535 HD12 LEU 65 2HD1 LEU 65 4.919 2.530 5.676 536 HD13 LEU 65 3HD1 LEU 65 5.616 3.409 4.303 537 HD21 LEU 65 3HD2 LEU 65 6.488 3.002 8.241 538 HD22 LEU 65 1HD2 LEU 65 5.337 4.211 7.702 539 HD23 LEU 65 2HD2 LEU 65 7.044 4.659 7.958 540 H LEU 66 H LEU 66 8.996 -0.255 4.290 541 HA LEU 66 HA LEU 66 10.931 -1.045 6.103 542 HB2 LEU 66 1HB LEU 66 10.019 -1.956 3.422 543 HB3 LEU 66 2HB LEU 66 11.684 -2.358 3.738 544 HG LEU 66 HG LEU 66 10.440 -4.192 4.336 545 HD11 LEU 66 1HD1 LEU 66 10.941 -4.600 6.634 546 HD12 LEU 66 2HD1 LEU 66 10.994 -2.896 7.022 547 HD13 LEU 66 3HD1 LEU 66 12.234 -3.604 5.953 548 HD21 LEU 66 3HD2 LEU 66 8.255 -3.318 4.462 549 HD22 LEU 66 1HD2 LEU 66 8.605 -2.525 6.026 550 HD23 LEU 66 2HD2 LEU 66 8.589 -4.302 5.857 551 H LYS 67 H LYS 67 11.555 0.440 2.942 552 HA LYS 67 HA LYS 67 14.439 0.757 3.563 553 HB2 LYS 67 1HB LYS 67 13.264 0.312 1.196 554 HB3 LYS 67 2HB LYS 67 13.094 2.068 1.203 555 HG2 LYS 67 1HG LYS 67 15.160 1.879 0.190 556 HG3 LYS 67 2HG LYS 67 15.695 1.990 1.863 557 HD2 LYS 67 1HD LYS 67 15.623 -0.573 1.939 558 HD3 LYS 67 2HD LYS 67 15.360 -0.550 0.196 559 HE2 LYS 67 1HE LYS 67 17.768 0.664 1.638 560 HE3 LYS 67 2HE LYS 67 17.724 -0.938 0.901 561 HZ1 LYS 67 3HZ LYS 67 18.540 0.233 -0.851 562 HZ2 LYS 67 1HZ LYS 67 17.869 1.655 -0.419 563 HZ3 LYS 67 2HZ LYS 67 16.962 0.533 -1.179 564 H GLY 68 H GLY 68 11.514 2.648 3.660 565 HA2 GLY 68 1HA GLY 68 11.048 4.727 4.607 566 HA3 GLY 68 2HA GLY 68 12.730 4.863 5.127 567 H ASP 69 H ASP 69 12.107 4.199 1.756 568 HA ASP 69 HA ASP 69 12.394 6.967 0.854 569 HB2 ASP 69 1HB ASP 69 14.745 5.761 1.492 570 HB3 ASP 69 2HB ASP 69 14.517 5.071 -0.109 571 H LYS 70 H LYS 70 12.636 6.962 -1.652 572 HA LYS 70 HA LYS 70 10.476 5.392 -2.771 573 HB2 LYS 70 1HB LYS 70 10.901 6.662 -4.790 574 HB3 LYS 70 2HB LYS 70 10.870 7.705 -3.384 575 HG2 LYS 70 1HG LYS 70 13.631 7.005 -3.761 576 HG3 LYS 70 2HG LYS 70 12.968 7.270 -5.354 577 HD2 LYS 70 1HD LYS 70 13.635 9.399 -4.880 578 HD3 LYS 70 2HD LYS 70 11.988 9.511 -4.240 579 HE2 LYS 70 1HE LYS 70 12.859 9.039 -1.955 580 HE3 LYS 70 2HE LYS 70 14.488 8.835 -2.621 581 HZ1 LYS 70 3HZ LYS 70 12.901 11.336 -2.579 582 HZ2 LYS 70 1HZ LYS 70 14.346 11.189 -3.352 583 HZ3 LYS 70 2HZ LYS 70 14.267 11.027 -1.729 584 H ASP 71 H ASP 71 13.911 4.901 -2.722 585 HA ASP 71 HA ASP 71 13.840 2.912 -4.917 586 HB2 ASP 71 1HB ASP 71 15.607 4.615 -4.870 587 HB3 ASP 71 2HB ASP 71 16.163 4.013 -3.306 588 H LEU 72 H LEU 72 12.500 1.414 -3.805 589 HA LEU 72 HA LEU 72 13.308 0.033 -1.391 590 HB2 LEU 72 1HB LEU 72 11.412 -0.890 -3.587 591 HB3 LEU 72 2HB LEU 72 11.496 -1.510 -1.940 592 HG LEU 72 HG LEU 72 10.557 1.237 -2.832 593 HD11 LEU 72 1HD1 LEU 72 9.112 -0.931 -2.877 594 HD12 LEU 72 2HD1 LEU 72 8.445 0.559 -2.161 595 HD13 LEU 72 3HD1 LEU 72 9.057 -0.758 -1.131 596 HD21 LEU 72 3HD2 LEU 72 10.937 0.223 0.020 597 HD22 LEU 72 1HD2 LEU 72 10.129 1.739 -0.461 598 HD23 LEU 72 2HD2 LEU 72 11.835 1.554 -0.750 599 H SER 73 H SER 73 13.703 -2.314 -1.249 600 HA SER 73 HA SER 73 16.037 -3.092 -2.782 601 HB2 SER 73 1HB SER 73 14.183 -4.726 -1.010 602 HB3 SER 73 2HB SER 73 15.738 -5.289 -1.642 603 HG SER 73 HG SER 73 15.639 -4.256 0.567 604 H PHE 74 H PHE 74 16.265 -4.775 -4.312 605 HA PHE 74 HA PHE 74 14.427 -5.010 -6.409 606 HB2 PHE 74 1HB PHE 74 16.776 -5.631 -6.593 607 HB3 PHE 74 2HB PHE 74 16.564 -6.960 -5.462 608 HD1 PHE 74 HD2 PHE 74 15.346 -9.029 -6.127 609 HD2 PHE 74 HD1 PHE 74 16.038 -5.821 -8.931 610 HE1 PHE 74 HE2 PHE 74 14.697 -10.523 -8.004 611 HE2 PHE 74 HE1 PHE 74 15.441 -7.339 -10.804 612 HZ PHE 74 HZ PHE 74 14.771 -9.690 -10.341 613 H GLY 75 H GLY 75 14.764 -7.172 -3.598 614 HA2 GLY 75 1HA GLY 75 12.704 -9.042 -4.245 615 HA3 GLY 75 2HA GLY 75 13.323 -8.710 -2.628 616 H GLU 76 H GLU 76 12.553 -6.158 -2.091 617 HA GLU 76 HA GLU 76 9.797 -6.299 -1.375 618 HB2 GLU 76 1HB GLU 76 11.618 -3.902 -1.755 619 HB3 GLU 76 2HB GLU 76 10.042 -3.830 -0.956 620 HG2 GLU 76 1HG GLU 76 10.754 -5.122 0.883 621 HG3 GLU 76 2HG GLU 76 12.166 -5.748 0.045 622 H ARG 77 H ARG 77 11.338 -4.667 -4.132 623 HA ARG 77 HA ARG 77 9.057 -3.446 -5.247 624 HB2 ARG 77 1HB ARG 77 11.587 -3.249 -5.857 625 HB3 ARG 77 2HB ARG 77 11.298 -4.618 -6.924 626 HG2 ARG 77 1HG ARG 77 11.182 -2.578 -8.179 627 HG3 ARG 77 2HG ARG 77 9.553 -3.253 -8.130 628 HD2 ARG 77 1HD ARG 77 8.746 -1.544 -6.733 629 HD3 ARG 77 2HD ARG 77 10.318 -1.281 -5.984 630 HE ARG 77 HE ARG 77 10.905 0.239 -7.592 631 HH11 ARG 77 1HH1 ARG 77 8.044 -1.345 -8.832 632 HH12 ARG 77 2HH1 ARG 77 7.927 -0.255 -10.186 633 HH21 ARG 77 1HH2 ARG 77 10.712 1.574 -9.313 634 HH22 ARG 77 2HH2 ARG 77 9.413 1.361 -10.446 635 H LYS 78 H LYS 78 9.934 -6.842 -5.417 636 HA LYS 78 HA LYS 78 8.319 -7.637 -7.645 637 HB2 LYS 78 1HB LYS 78 8.870 -9.329 -5.182 638 HB3 LYS 78 2HB LYS 78 8.431 -9.894 -6.773 639 HG2 LYS 78 1HG LYS 78 10.921 -8.308 -6.864 640 HG3 LYS 78 2HG LYS 78 10.997 -9.580 -5.653 641 HD2 LYS 78 1HD LYS 78 11.852 -10.668 -7.459 642 HD3 LYS 78 2HD LYS 78 10.167 -11.169 -7.550 643 HE2 LYS 78 1HE LYS 78 10.384 -8.691 -8.988 644 HE3 LYS 78 2HE LYS 78 11.831 -9.613 -9.403 645 HZ1 LYS 78 3HZ LYS 78 9.974 -10.099 -10.912 646 HZ2 LYS 78 1HZ LYS 78 9.039 -10.615 -9.680 647 HZ3 LYS 78 2HZ LYS 78 10.383 -11.450 -10.094 648 H MET 79 H MET 79 7.498 -7.743 -4.156 649 HA MET 79 HA MET 79 4.689 -8.368 -4.699 650 HB2 MET 79 1HB MET 79 6.025 -9.045 -2.625 651 HB3 MET 79 2HB MET 79 5.825 -7.375 -2.066 652 HG2 MET 79 1HG MET 79 3.250 -8.135 -2.799 653 HG3 MET 79 2HG MET 79 3.925 -9.653 -2.244 654 HE1 MET 79 3HE MET 79 5.965 -8.332 0.050 655 HE2 MET 79 1HE MET 79 4.972 -8.338 1.514 656 HE3 MET 79 2HE MET 79 5.028 -9.783 0.474 657 H LEU 80 H LEU 80 6.502 -5.422 -3.738 658 HA LEU 80 HA LEU 80 4.304 -3.686 -3.374 659 HB2 LEU 80 1HB LEU 80 6.675 -3.130 -2.805 660 HB3 LEU 80 2HB LEU 80 7.033 -3.031 -4.528 661 HG LEU 80 HG LEU 80 4.819 -1.348 -4.261 662 HD11 LEU 80 1HD1 LEU 80 5.038 -1.602 -1.792 663 HD12 LEU 80 2HD1 LEU 80 4.948 0.026 -2.450 664 HD13 LEU 80 3HD1 LEU 80 6.510 -0.618 -1.910 665 HD21 LEU 80 3HD2 LEU 80 6.480 -0.657 -5.685 666 HD22 LEU 80 1HD2 LEU 80 7.751 -0.792 -4.476 667 HD23 LEU 80 2HD2 LEU 80 6.569 0.525 -4.364 668 H ASP 81 H ASP 81 6.067 -4.385 -6.466 669 HA ASP 81 HA ASP 81 4.699 -2.703 -8.216 670 HB2 ASP 81 1HB ASP 81 6.579 -4.012 -8.918 671 HB3 ASP 81 2HB ASP 81 5.759 -5.528 -8.539 672 H THR 82 H THR 82 3.578 -5.861 -7.001 673 HA THR 82 HA THR 82 1.100 -5.832 -8.528 674 HB THR 82 HB THR 82 1.606 -7.459 -6.032 675 HG1 THR 82 HG1 THR 82 2.562 -7.925 -8.657 676 HG21 THR 82 3HG2 THR 82 -0.649 -7.559 -7.166 677 HG22 THR 82 1HG2 THR 82 0.214 -9.110 -7.215 678 HG23 THR 82 2HG2 THR 82 0.154 -8.079 -8.658 679 H ALA 83 H ALA 83 1.881 -5.247 -5.041 680 HA ALA 83 HA ALA 83 -0.753 -4.543 -4.237 681 HB1 ALA 83 3HB ALA 83 1.189 -5.146 -2.749 682 HB2 ALA 83 1HB ALA 83 1.830 -3.514 -3.020 683 HB3 ALA 83 2HB ALA 83 0.247 -3.739 -2.229 684 H ARG 84 H ARG 84 1.708 -2.550 -5.782 685 HA ARG 84 HA ARG 84 0.515 0.068 -5.518 686 HB2 ARG 84 1HB ARG 84 2.339 -1.198 -7.605 687 HB3 ARG 84 2HB ARG 84 1.836 0.471 -7.724 688 HG2 ARG 84 1HG ARG 84 3.099 -0.470 -5.167 689 HG3 ARG 84 2HG ARG 84 4.121 -0.317 -6.577 690 HD2 ARG 84 1HD ARG 84 2.501 2.095 -6.378 691 HD3 ARG 84 2HD ARG 84 3.190 1.748 -4.807 692 HE ARG 84 HE ARG 84 5.258 2.368 -5.570 693 HH11 ARG 84 1HH1 ARG 84 3.359 1.824 -8.451 694 HH12 ARG 84 2HH1 ARG 84 4.683 2.210 -9.500 695 HH21 ARG 84 1HH2 ARG 84 6.885 2.787 -6.904 696 HH22 ARG 84 2HH2 ARG 84 6.662 2.761 -8.634 697 H SER 85 H SER 85 0.370 -2.268 -8.200 698 HA SER 85 HA SER 85 -1.502 -0.849 -9.800 699 HB2 SER 85 1HB SER 85 0.003 -2.957 -10.313 700 HB3 SER 85 2HB SER 85 -1.453 -3.858 -9.836 701 HG SER 85 HG SER 85 -1.386 -3.340 -12.106 702 H LEU 86 H LEU 86 -2.006 -2.747 -6.956 703 HA LEU 86 HA LEU 86 -4.940 -2.855 -7.302 704 HB2 LEU 86 1HB LEU 86 -3.054 -3.876 -5.144 705 HB3 LEU 86 2HB LEU 86 -4.801 -4.106 -5.100 706 HG LEU 86 HG LEU 86 -3.156 -5.116 -7.459 707 HD11 LEU 86 1HD1 LEU 86 -2.233 -6.024 -5.336 708 HD12 LEU 86 2HD1 LEU 86 -2.945 -7.248 -6.396 709 HD13 LEU 86 3HD1 LEU 86 -3.842 -6.699 -4.971 710 HD21 LEU 86 3HD2 LEU 86 -5.535 -5.127 -7.851 711 HD22 LEU 86 1HD2 LEU 86 -5.859 -5.850 -6.259 712 HD23 LEU 86 2HD2 LEU 86 -5.041 -6.793 -7.521 713 H LEU 87 H LEU 87 -2.574 -1.203 -5.142 714 HA LEU 87 HA LEU 87 -4.245 0.149 -3.404 715 HB2 LEU 87 1HB LEU 87 -1.828 0.365 -3.298 716 HB3 LEU 87 2HB LEU 87 -1.765 1.160 -4.882 717 HG LEU 87 HG LEU 87 -3.212 3.032 -3.861 718 HD11 LEU 87 1HD1 LEU 87 -3.777 1.822 -1.731 719 HD12 LEU 87 2HD1 LEU 87 -2.956 3.372 -1.453 720 HD13 LEU 87 3HD1 LEU 87 -2.056 1.856 -1.303 721 HD21 LEU 87 3HD2 LEU 87 -1.382 4.253 -3.223 722 HD22 LEU 87 1HD2 LEU 87 -0.858 3.198 -4.541 723 HD23 LEU 87 2HD2 LEU 87 -0.434 2.818 -2.859 724 H ILE 88 H ILE 88 -3.214 1.431 -6.580 725 HA ILE 88 HA ILE 88 -5.093 3.579 -6.379 726 HB ILE 88 HB ILE 88 -4.395 4.404 -8.379 727 HG12 ILE 88 1HG1 ILE 88 -4.872 2.512 -9.882 728 HG13 ILE 88 2HG1 ILE 88 -3.293 3.229 -10.189 729 HG21 ILE 88 1HG2 ILE 88 -2.577 4.202 -6.661 730 HG22 ILE 88 2HG2 ILE 88 -1.910 2.866 -7.584 731 HG23 ILE 88 3HG2 ILE 88 -2.079 4.479 -8.331 732 HD11 ILE 88 3HD1 ILE 88 -3.378 0.751 -10.349 733 HD12 ILE 88 1HD1 ILE 88 -2.160 1.367 -9.227 734 HD13 ILE 88 2HD1 ILE 88 -3.688 0.689 -8.605 735 H LYS 89 H LYS 89 -5.582 0.376 -7.300 736 HA LYS 89 HA LYS 89 -7.639 0.597 -9.321 737 HB2 LYS 89 1HB LYS 89 -6.223 -1.433 -8.721 738 HB3 LYS 89 2HB LYS 89 -7.278 -1.670 -7.324 739 HG2 LYS 89 1HG LYS 89 -9.194 -2.053 -8.678 740 HG3 LYS 89 2HG LYS 89 -8.303 -1.670 -10.164 741 HD2 LYS 89 1HD LYS 89 -7.400 -3.858 -8.241 742 HD3 LYS 89 2HD LYS 89 -8.602 -4.198 -9.474 743 HE2 LYS 89 1HE LYS 89 -5.857 -3.020 -10.106 744 HE3 LYS 89 2HE LYS 89 -6.171 -4.755 -10.067 745 HZ1 LYS 89 3HZ LYS 89 -8.105 -3.409 -11.678 746 HZ2 LYS 89 1HZ LYS 89 -7.125 -4.647 -12.077 747 HZ3 LYS 89 2HZ LYS 89 -6.593 -3.110 -12.224 748 H GLU 90 H GLU 90 -7.782 0.223 -5.794 749 HA GLU 90 HA GLU 90 -10.716 0.255 -5.730 750 HB2 GLU 90 1HB GLU 90 -8.960 0.774 -3.330 751 HB3 GLU 90 2HB GLU 90 -10.559 0.073 -3.431 752 HG2 GLU 90 1HG GLU 90 -9.703 -1.956 -3.432 753 HG3 GLU 90 2HG GLU 90 -9.030 -1.674 -5.000 754 H LEU 91 H LEU 91 -8.101 2.414 -4.705 755 HA LEU 91 HA LEU 91 -9.640 4.667 -3.960 756 HB2 LEU 91 1HB LEU 91 -6.746 4.444 -4.905 757 HB3 LEU 91 2HB LEU 91 -7.445 5.841 -4.056 758 HG LEU 91 HG LEU 91 -7.252 3.032 -2.881 759 HD11 LEU 91 1HD1 LEU 91 -5.423 5.426 -2.600 760 HD12 LEU 91 2HD1 LEU 91 -5.045 3.764 -3.032 761 HD13 LEU 91 3HD1 LEU 91 -5.512 4.134 -1.377 762 HD21 LEU 91 3HD2 LEU 91 -7.498 5.227 -0.992 763 HD22 LEU 91 1HD2 LEU 91 -8.479 3.749 -1.224 764 HD23 LEU 91 2HD2 LEU 91 -8.837 5.219 -2.113 765 H SER 92 H SER 92 -8.757 3.607 -7.083 766 HA SER 92 HA SER 92 -8.804 5.660 -8.820 767 HB2 SER 92 1HB SER 92 -8.683 3.374 -9.595 768 HB3 SER 92 2HB SER 92 -10.317 3.043 -9.000 769 HG SER 92 HG SER 92 -10.653 3.417 -11.082 770 H LEU 93 H LEU 93 -11.642 4.488 -7.123 771 HA LEU 93 HA LEU 93 -13.650 5.881 -8.483 772 HB2 LEU 93 1HB LEU 93 -13.502 4.137 -6.312 773 HB3 LEU 93 2HB LEU 93 -14.019 5.613 -5.531 774 HG LEU 93 HG LEU 93 -15.951 4.377 -6.082 775 HD11 LEU 93 1HD1 LEU 93 -16.001 6.862 -6.598 776 HD12 LEU 93 2HD1 LEU 93 -17.253 5.868 -7.372 777 HD13 LEU 93 3HD1 LEU 93 -15.858 6.426 -8.314 778 HD21 LEU 93 3HD2 LEU 93 -16.511 3.496 -8.260 779 HD22 LEU 93 1HD2 LEU 93 -14.905 2.907 -7.804 780 HD23 LEU 93 2HD2 LEU 93 -15.062 4.217 -8.992 781 H ALA 94 H ALA 94 -12.058 6.950 -5.475 782 HA ALA 94 HA ALA 94 -13.195 9.649 -5.669 783 HB1 ALA 94 3HB ALA 94 -12.673 8.356 -3.524 784 HB2 ALA 94 1HB ALA 94 -10.972 8.776 -3.833 785 HB3 ALA 94 2HB ALA 94 -12.162 10.056 -3.577 786 H LYS 95 H LYS 95 -10.188 8.143 -6.667 787 HA LYS 95 HA LYS 95 -8.425 10.306 -6.930 788 HB2 LYS 95 1HB LYS 95 -7.166 8.752 -7.825 789 HB3 LYS 95 2HB LYS 95 -8.541 7.652 -7.835 790 HG2 LYS 95 1HG LYS 95 -9.091 8.411 -10.142 791 HG3 LYS 95 2HG LYS 95 -7.627 9.407 -10.121 792 HD2 LYS 95 1HD LYS 95 -6.338 7.650 -10.693 793 HD3 LYS 95 2HD LYS 95 -7.005 6.629 -9.429 794 HE2 LYS 95 1HE LYS 95 -9.010 6.193 -10.846 795 HE3 LYS 95 2HE LYS 95 -8.299 7.139 -12.141 796 HZ1 LYS 95 3HZ LYS 95 -6.562 5.542 -12.379 797 HZ2 LYS 95 1HZ LYS 95 -7.950 4.686 -12.291 798 HZ3 LYS 95 2HZ LYS 95 -6.963 4.743 -10.997 799 H ASP 96 H ASP 96 -11.004 9.375 -9.105 800 HA ASP 96 HA ASP 96 -11.971 10.296 -10.945 801 HB2 ASP 96 1HB ASP 96 -12.777 11.559 -8.889 802 HB3 ASP 96 2HB ASP 96 -11.748 12.889 -9.405 803 H CYS 97 H CYS 97 -9.127 10.114 -11.236 804 HA CYS 97 HA CYS 97 -8.495 11.907 -13.438 805 HB2 CYS 97 1HB CYS 97 -8.035 13.036 -11.023 806 HB3 CYS 97 2HB CYS 97 -6.557 12.078 -11.140 807 HG CYS 97 HG CYS 97 -5.985 14.462 -11.930 808 H SER 98 H SER 98 -5.706 11.579 -13.383 809 HA SER 98 HA SER 98 -5.286 8.861 -14.383 810 HB2 SER 98 1HB SER 98 -3.487 11.244 -13.804 811 HB3 SER 98 2HB SER 98 -2.815 9.682 -14.292 812 HG SER 98 HG SER 98 -4.846 11.049 -15.761 813 H GLU 99 H GLU 99 -3.632 7.352 -13.540 814 HA GLU 99 HA GLU 99 -4.004 6.605 -10.821 815 HB2 GLU 99 1HB GLU 99 -1.737 5.912 -12.730 816 HB3 GLU 99 2HB GLU 99 -1.969 5.186 -11.125 817 HG2 GLU 99 1HG GLU 99 -4.265 4.452 -11.840 818 HG3 GLU 99 2HG GLU 99 -3.942 5.081 -13.450 819 H ASP 100 H ASP 100 -1.689 8.832 -12.168 820 HA ASP 100 HA ASP 100 0.213 9.146 -10.125 821 HB2 ASP 100 1HB ASP 100 -0.966 10.915 -12.249 822 HB3 ASP 100 2HB ASP 100 -0.137 11.721 -10.935 823 H GLU 101 H GLU 101 -3.228 10.146 -10.006 824 HA GLU 101 HA GLU 101 -2.990 12.064 -7.942 825 HB2 GLU 101 1HB GLU 101 -5.049 11.046 -9.458 826 HB3 GLU 101 2HB GLU 101 -5.359 10.224 -7.939 827 HG2 GLU 101 1HG GLU 101 -6.590 12.288 -8.116 828 HG3 GLU 101 2HG GLU 101 -5.450 12.385 -6.772 829 H ILE 102 H ILE 102 -3.525 8.537 -7.703 830 HA ILE 102 HA ILE 102 -3.106 8.508 -4.785 831 HB ILE 102 HB ILE 102 -3.565 6.310 -6.766 832 HG12 ILE 102 1HG1 ILE 102 -5.610 6.866 -4.694 833 HG13 ILE 102 2HG1 ILE 102 -5.401 8.242 -5.742 834 HG21 ILE 102 1HG2 ILE 102 -3.486 6.262 -3.712 835 HG22 ILE 102 2HG2 ILE 102 -4.058 4.935 -4.752 836 HG23 ILE 102 3HG2 ILE 102 -2.368 5.445 -4.811 837 HD11 ILE 102 3HD1 ILE 102 -5.714 6.904 -7.724 838 HD12 ILE 102 1HD1 ILE 102 -5.870 5.424 -6.773 839 HD13 ILE 102 2HD1 ILE 102 -7.084 6.680 -6.595 840 H GLU 103 H GLU 103 -1.338 7.324 -7.700 841 HA GLU 103 HA GLU 103 0.751 6.006 -6.355 842 HB2 GLU 103 1HB GLU 103 0.372 7.211 -9.068 843 HB3 GLU 103 2HB GLU 103 2.036 7.020 -8.576 844 HG2 GLU 103 1HG GLU 103 1.665 4.634 -8.086 845 HG3 GLU 103 2HG GLU 103 -0.002 4.781 -8.631 846 H SER 104 H SER 104 0.535 9.467 -7.387 847 HA SER 104 HA SER 104 3.146 10.151 -6.287 848 HB2 SER 104 1HB SER 104 1.803 11.302 -8.249 849 HB3 SER 104 2HB SER 104 1.035 12.208 -6.928 850 HG SER 104 HG SER 104 3.709 12.146 -7.827 851 H ASP 105 H ASP 105 -0.223 10.273 -5.059 852 HA ASP 105 HA ASP 105 0.351 11.888 -2.757 853 HB2 ASP 105 1HB ASP 105 -1.790 9.887 -3.446 854 HB3 ASP 105 2HB ASP 105 -1.559 10.306 -1.765 855 H LEU 106 H LEU 106 1.256 8.576 -3.449 856 HA LEU 106 HA LEU 106 1.770 7.676 -0.796 857 HB2 LEU 106 1HB LEU 106 3.381 7.091 -3.316 858 HB3 LEU 106 2HB LEU 106 3.438 6.169 -1.831 859 HG LEU 106 HG LEU 106 1.016 6.433 -3.632 860 HD11 LEU 106 1HD1 LEU 106 2.817 4.048 -3.166 861 HD12 LEU 106 2HD1 LEU 106 2.844 5.086 -4.601 862 HD13 LEU 106 3HD1 LEU 106 1.409 4.121 -4.248 863 HD21 LEU 106 3HD2 LEU 106 1.091 5.725 -0.860 864 HD22 LEU 106 1HD2 LEU 106 0.860 4.244 -1.754 865 HD23 LEU 106 2HD2 LEU 106 -0.250 5.617 -1.980 866 H LYS 107 H LYS 107 3.563 9.927 -2.804 867 HA LYS 107 HA LYS 107 5.941 9.978 -1.230 868 HB2 LYS 107 1HB LYS 107 6.629 11.699 -2.620 869 HB3 LYS 107 2HB LYS 107 5.354 11.001 -3.609 870 HG2 LYS 107 1HG LYS 107 3.792 12.735 -2.603 871 HG3 LYS 107 2HG LYS 107 5.202 13.527 -1.910 872 HD2 LYS 107 1HD LYS 107 5.919 14.342 -3.932 873 HD3 LYS 107 2HD LYS 107 5.408 12.898 -4.831 874 HE2 LYS 107 1HE LYS 107 3.033 13.567 -4.496 875 HE3 LYS 107 2HE LYS 107 3.587 15.094 -3.777 876 HZ1 LYS 107 3HZ LYS 107 3.250 15.583 -6.046 877 HZ2 LYS 107 1HZ LYS 107 3.835 14.149 -6.556 878 HZ3 LYS 107 2HZ LYS 107 4.866 15.312 -6.012 879 H LYS 108 H LYS 108 2.854 11.429 -0.681 880 HA LYS 108 HA LYS 108 3.784 13.085 1.619 881 HB2 LYS 108 1HB LYS 108 0.975 12.782 0.442 882 HB3 LYS 108 2HB LYS 108 1.516 13.962 1.646 883 HG2 LYS 108 1HG LYS 108 3.208 14.780 -0.078 884 HG3 LYS 108 2HG LYS 108 2.369 13.791 -1.272 885 HD2 LYS 108 1HD LYS 108 0.833 15.859 0.330 886 HD3 LYS 108 2HD LYS 108 1.850 16.323 -1.037 887 HE2 LYS 108 1HE LYS 108 0.566 14.448 -2.350 888 HE3 LYS 108 2HE LYS 108 -0.634 14.584 -1.063 889 HZ1 LYS 108 3HZ LYS 108 -0.842 16.954 -1.613 890 HZ2 LYS 108 1HZ LYS 108 -1.110 16.053 -2.952 891 HZ3 LYS 108 2HZ LYS 108 0.310 16.838 -2.766 892 H ILE 109 H ILE 109 2.198 10.063 0.980 893 HA ILE 109 HA ILE 109 1.248 9.637 3.721 894 HB ILE 109 HB ILE 109 1.554 7.676 1.446 895 HG12 ILE 109 1HG1 ILE 109 -1.081 8.932 2.391 896 HG13 ILE 109 2HG1 ILE 109 -0.151 9.738 1.157 897 HG21 ILE 109 1HG2 ILE 109 -0.201 7.519 3.931 898 HG22 ILE 109 2HG2 ILE 109 0.043 6.278 2.661 899 HG23 ILE 109 3HG2 ILE 109 1.336 6.669 3.754 900 HD11 ILE 109 3HD1 ILE 109 -0.383 7.918 -0.387 901 HD12 ILE 109 1HD1 ILE 109 -1.068 6.848 0.849 902 HD13 ILE 109 2HD1 ILE 109 -1.979 8.255 0.294 903 H PHE 110 H PHE 110 3.986 8.335 1.788 904 HA PHE 110 HA PHE 110 5.140 7.163 4.281 905 HB2 PHE 110 1HB PHE 110 6.093 6.586 1.506 906 HB3 PHE 110 2HB PHE 110 6.285 5.620 2.954 907 HD1 PHE 110 HD2 PHE 110 3.497 5.375 3.977 908 HD2 PHE 110 HD1 PHE 110 5.006 5.280 -0.070 909 HE1 PHE 110 HE2 PHE 110 1.453 4.189 3.197 910 HE2 PHE 110 HE1 PHE 110 3.023 4.011 -0.778 911 HZ PHE 110 HZ PHE 110 1.191 3.549 0.844 912 H ASN 111 H ASN 111 5.431 10.015 2.845 913 HA ASN 111 HA ASN 111 6.940 11.691 2.625 914 HB2 ASN 111 1HB ASN 111 6.945 11.129 5.117 915 HB3 ASN 111 2HB ASN 111 8.520 10.391 4.848 916 HD21 ASN 111 2HD2 ASN 111 6.673 13.467 4.688 917 HD22 ASN 111 1HD2 ASN 111 8.117 14.463 4.781 918 H LEU 112 H LEU 112 7.246 10.167 0.608 919 HA LEU 112 HA LEU 112 10.008 9.163 0.215 920 HB2 LEU 112 1HB LEU 112 7.816 9.341 -1.869 921 HB3 LEU 112 2HB LEU 112 9.238 8.336 -1.920 922 HG LEU 112 HG LEU 112 7.123 7.962 0.214 923 HD11 LEU 112 1HD1 LEU 112 5.699 7.082 -1.208 924 HD12 LEU 112 2HD1 LEU 112 6.889 5.932 -1.782 925 HD13 LEU 112 3HD1 LEU 112 6.728 7.501 -2.579 926 HD21 LEU 112 3HD2 LEU 112 9.126 5.998 -0.946 927 HD22 LEU 112 1HD2 LEU 112 8.074 5.758 0.462 928 HD23 LEU 112 2HD2 LEU 112 9.400 6.925 0.545 929 H ALA 113 H ALA 113 8.065 11.865 -0.826 930 HA ALA 113 HA ALA 113 8.243 13.513 -2.380 931 HB1 ALA 113 3HB ALA 113 10.599 14.780 -1.915 932 HB2 ALA 113 1HB ALA 113 9.173 14.880 -0.875 933 HB3 ALA 113 2HB ALA 113 10.490 13.763 -0.466 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -17.341 -15.370 14.041 2 H2 GLY 1 2H GLY 1 -17.197 -16.905 13.485 3 H3 GLY 1 3H GLY 1 -18.394 -16.523 14.537 4 HA2 GLY 1 1HA GLY 1 -16.951 -16.228 16.336 5 HA3 GLY 1 2HA GLY 1 -16.479 -17.746 15.552 6 H SER 2 H SER 2 -14.270 -17.833 15.720 7 HA SER 2 HA SER 2 -12.638 -15.457 14.913 8 HB2 SER 2 1HB SER 2 -11.677 -17.073 17.250 9 HB3 SER 2 2HB SER 2 -11.388 -15.392 16.807 10 HG SER 2 HG SER 2 -13.671 -16.561 18.028 11 H HIS 3 H HIS 3 -11.996 -16.329 12.969 12 HA HIS 3 HA HIS 3 -9.823 -18.256 13.108 13 HB2 HIS 3 1HB HIS 3 -12.154 -19.551 12.919 14 HB3 HIS 3 2HB HIS 3 -12.003 -19.195 11.218 15 HD1 HIS 3 HD1 HIS 3 -11.979 -22.129 12.140 16 HD2 HIS 3 HD2 HIS 3 -8.505 -19.734 11.814 17 HE1 HIS 3 HE1 HIS 3 -9.984 -23.749 11.946 18 HE2 HIS 3 HE2 HIS 3 -7.878 -22.281 11.748 19 H MET 4 H MET 4 -12.041 -17.095 10.552 20 HA MET 4 HA MET 4 -9.895 -16.448 8.672 21 HB2 MET 4 1HB MET 4 -12.902 -16.205 8.753 22 HB3 MET 4 2HB MET 4 -12.033 -15.203 7.601 23 HG2 MET 4 1HG MET 4 -11.229 -18.082 7.637 24 HG3 MET 4 2HG MET 4 -12.872 -17.741 7.123 25 HE1 MET 4 3HE MET 4 -9.507 -15.555 6.370 26 HE2 MET 4 1HE MET 4 -9.063 -17.283 6.318 27 HE3 MET 4 2HE MET 4 -9.089 -16.318 4.827 28 H GLY 5 H GLY 5 -9.017 -14.522 8.194 29 HA2 GLY 5 1HA GLY 5 -9.560 -12.148 9.947 30 HA3 GLY 5 2HA GLY 5 -8.008 -12.568 9.227 31 H SER 6 H SER 6 -11.326 -11.564 8.452 32 HA SER 6 HA SER 6 -10.349 -9.969 6.133 33 HB2 SER 6 1HB SER 6 -12.963 -11.382 5.767 34 HB3 SER 6 2HB SER 6 -11.766 -10.866 4.577 35 HG SER 6 HG SER 6 -11.949 -13.170 4.837 36 H VAL 7 H VAL 7 -11.328 -7.987 5.965 37 HA VAL 7 HA VAL 7 -12.927 -6.975 8.110 38 HB VAL 7 HB VAL 7 -12.659 -5.700 5.372 39 HG11 VAL 7 1HG1 VAL 7 -13.071 -4.514 8.158 40 HG12 VAL 7 2HG1 VAL 7 -12.838 -3.581 6.664 41 HG13 VAL 7 3HG1 VAL 7 -14.282 -4.567 6.859 42 HG21 VAL 7 3HG2 VAL 7 -10.697 -4.470 6.417 43 HG22 VAL 7 1HG2 VAL 7 -10.738 -5.659 7.735 44 HG23 VAL 7 2HG2 VAL 7 -10.393 -6.168 6.065 45 H GLY 8 H GLY 8 -13.856 -8.324 5.022 46 HA2 GLY 8 1HA GLY 8 -16.089 -9.467 5.044 47 HA3 GLY 8 2HA GLY 8 -16.785 -7.954 5.615 48 H LEU 9 H LEU 9 -14.621 -6.801 3.564 49 HA LEU 9 HA LEU 9 -16.310 -6.969 1.117 50 HB2 LEU 9 1HB LEU 9 -15.463 -4.736 0.553 51 HB3 LEU 9 2HB LEU 9 -16.441 -4.762 1.991 52 HG LEU 9 HG LEU 9 -13.464 -4.896 2.409 53 HD11 LEU 9 1HD1 LEU 9 -13.278 -2.452 2.246 54 HD12 LEU 9 2HD1 LEU 9 -14.937 -2.362 1.619 55 HD13 LEU 9 3HD1 LEU 9 -13.672 -3.175 0.673 56 HD21 LEU 9 3HD2 LEU 9 -15.174 -4.840 4.311 57 HD22 LEU 9 1HD2 LEU 9 -15.514 -3.174 3.815 58 HD23 LEU 9 2HD2 LEU 9 -13.882 -3.629 4.345 59 H ARG 10 H ARG 10 -14.620 -5.949 -0.675 60 HA ARG 10 HA ARG 10 -12.179 -7.686 -0.842 61 HB2 ARG 10 1HB ARG 10 -14.528 -7.584 -2.722 62 HB3 ARG 10 2HB ARG 10 -12.945 -7.636 -3.469 63 HG2 ARG 10 1HG ARG 10 -13.385 -9.663 -1.317 64 HG3 ARG 10 2HG ARG 10 -14.367 -9.837 -2.773 65 HD2 ARG 10 1HD ARG 10 -12.389 -9.801 -4.206 66 HD3 ARG 10 2HD ARG 10 -11.329 -9.553 -2.821 67 HE ARG 10 HE ARG 10 -12.557 -12.050 -3.724 68 HH11 ARG 10 1HH1 ARG 10 -11.117 -10.543 -0.931 69 HH12 ARG 10 2HH1 ARG 10 -10.744 -12.051 -0.162 70 HH21 ARG 10 1HH2 ARG 10 -12.043 -13.964 -2.742 71 HH22 ARG 10 2HH2 ARG 10 -11.265 -13.964 -1.189 72 H GLU 11 H GLU 11 -13.444 -5.554 -3.253 73 HA GLU 11 HA GLU 11 -11.266 -3.538 -2.783 74 HB2 GLU 11 1HB GLU 11 -11.707 -5.399 -5.048 75 HB3 GLU 11 2HB GLU 11 -11.331 -3.740 -5.509 76 HG2 GLU 11 1HG GLU 11 -9.219 -3.796 -4.703 77 HG3 GLU 11 2HG GLU 11 -9.574 -4.930 -3.404 78 H ILE 12 H ILE 12 -14.362 -4.256 -4.401 79 HA ILE 12 HA ILE 12 -14.899 -1.639 -5.309 80 HB ILE 12 HB ILE 12 -16.096 -3.496 -6.198 81 HG12 ILE 12 1HG1 ILE 12 -18.408 -2.666 -6.133 82 HG13 ILE 12 2HG1 ILE 12 -18.051 -1.675 -4.722 83 HG21 ILE 12 1HG2 ILE 12 -17.772 -4.790 -5.046 84 HG22 ILE 12 2HG2 ILE 12 -16.264 -4.921 -4.134 85 HG23 ILE 12 3HG2 ILE 12 -17.565 -3.863 -3.556 86 HD11 ILE 12 3HD1 ILE 12 -16.717 -1.353 -7.450 87 HD12 ILE 12 1HD1 ILE 12 -18.088 -0.390 -6.859 88 HD13 ILE 12 2HD1 ILE 12 -16.523 -0.270 -6.050 89 H ILE 13 H ILE 13 -15.050 0.123 -4.232 90 HA ILE 13 HA ILE 13 -16.627 0.380 -1.752 91 HB ILE 13 HB ILE 13 -14.812 1.697 -0.720 92 HG12 ILE 13 1HG1 ILE 13 -12.407 0.875 -1.511 93 HG13 ILE 13 2HG1 ILE 13 -13.154 0.761 -3.082 94 HG21 ILE 13 1HG2 ILE 13 -13.740 -0.094 0.308 95 HG22 ILE 13 2HG2 ILE 13 -15.337 -0.677 -0.150 96 HG23 ILE 13 3HG2 ILE 13 -13.917 -1.145 -1.113 97 HD11 ILE 13 3HD1 ILE 13 -13.691 3.178 -3.017 98 HD12 ILE 13 1HD1 ILE 13 -13.001 3.283 -1.379 99 HD13 ILE 13 2HD1 ILE 13 -11.963 2.885 -2.732 100 H SER 14 H SER 14 -16.516 2.773 -1.057 101 HA SER 14 HA SER 14 -16.960 4.569 -3.404 102 HB2 SER 14 1HB SER 14 -18.686 5.673 -2.228 103 HB3 SER 14 2HB SER 14 -19.037 3.949 -2.070 104 HG SER 14 HG SER 14 -18.356 3.998 0.038 105 H GLU 15 H GLU 15 -16.881 6.961 -2.492 106 HA GLU 15 HA GLU 15 -14.226 7.622 -1.859 107 HB2 GLU 15 1HB GLU 15 -16.070 9.016 -2.892 108 HB3 GLU 15 2HB GLU 15 -16.684 9.314 -1.262 109 HG2 GLU 15 1HG GLU 15 -14.714 10.541 -0.657 110 HG3 GLU 15 2HG GLU 15 -13.803 9.891 -2.019 111 H GLU 16 H GLU 16 -16.741 6.658 0.399 112 HA GLU 16 HA GLU 16 -15.718 7.755 2.840 113 HB2 GLU 16 1HB GLU 16 -17.182 5.123 2.335 114 HB3 GLU 16 2HB GLU 16 -16.793 5.782 3.923 115 HG2 GLU 16 1HG GLU 16 -18.040 7.948 2.968 116 HG3 GLU 16 2HG GLU 16 -18.797 6.761 1.905 117 H ASP 17 H ASP 17 -15.052 4.520 1.413 118 HA ASP 17 HA ASP 17 -13.031 3.771 3.340 119 HB2 ASP 17 1HB ASP 17 -13.835 1.976 2.134 120 HB3 ASP 17 2HB ASP 17 -13.803 2.876 0.613 121 H VAL 18 H VAL 18 -12.866 5.431 0.151 122 HA VAL 18 HA VAL 18 -10.080 5.521 -0.037 123 HB VAL 18 HB VAL 18 -11.971 7.686 -1.001 124 HG11 VAL 18 1HG1 VAL 18 -9.675 7.473 -2.674 125 HG12 VAL 18 2HG1 VAL 18 -10.179 8.828 -1.641 126 HG13 VAL 18 3HG1 VAL 18 -9.071 7.602 -1.028 127 HG21 VAL 18 3HG2 VAL 18 -11.571 6.398 -3.219 128 HG22 VAL 18 1HG2 VAL 18 -10.993 5.077 -2.193 129 HG23 VAL 18 2HG2 VAL 18 -12.650 5.676 -2.031 130 H LYS 19 H LYS 19 -12.204 7.973 1.557 131 HA LYS 19 HA LYS 19 -10.009 9.516 2.592 132 HB2 LYS 19 1HB LYS 19 -12.779 9.305 3.829 133 HB3 LYS 19 2HB LYS 19 -11.655 10.649 3.939 134 HG2 LYS 19 1HG LYS 19 -12.221 10.222 1.115 135 HG3 LYS 19 2HG LYS 19 -13.738 10.132 2.013 136 HD2 LYS 19 1HD LYS 19 -13.510 12.367 1.338 137 HD3 LYS 19 2HD LYS 19 -13.181 12.329 3.069 138 HE2 LYS 19 1HE LYS 19 -11.325 13.540 2.529 139 HE3 LYS 19 2HE LYS 19 -10.647 11.964 2.127 140 HZ1 LYS 19 3HZ LYS 19 -11.287 14.142 0.384 141 HZ2 LYS 19 1HZ LYS 19 -11.954 12.760 -0.165 142 HZ3 LYS 19 2HZ LYS 19 -10.341 12.851 0.085 143 H GLN 20 H GLN 20 -11.509 6.578 3.846 144 HA GLN 20 HA GLN 20 -10.311 6.774 6.507 145 HB2 GLN 20 1HB GLN 20 -12.373 5.623 6.303 146 HB3 GLN 20 2HB GLN 20 -11.756 4.545 5.050 147 HG2 GLN 20 1HG GLN 20 -10.280 3.414 6.603 148 HG3 GLN 20 2HG GLN 20 -10.579 4.633 7.854 149 HE21 GLN 20 2HE2 GLN 20 -10.938 2.291 8.909 150 HE22 GLN 20 1HE2 GLN 20 -12.638 1.832 8.931 151 H VAL 21 H VAL 21 -9.633 4.650 3.674 152 HA VAL 21 HA VAL 21 -7.381 3.353 4.782 153 HB VAL 21 HB VAL 21 -8.631 2.572 2.797 154 HG11 VAL 21 1HG1 VAL 21 -8.658 4.740 1.535 155 HG12 VAL 21 2HG1 VAL 21 -6.932 4.514 1.204 156 HG13 VAL 21 3HG1 VAL 21 -8.132 3.343 0.602 157 HG21 VAL 21 3HG2 VAL 21 -5.642 2.852 2.319 158 HG22 VAL 21 1HG2 VAL 21 -6.385 1.656 3.401 159 HG23 VAL 21 2HG2 VAL 21 -6.725 1.610 1.658 160 H TYR 22 H TYR 22 -7.535 6.411 2.949 161 HA TYR 22 HA TYR 22 -4.760 6.939 2.842 162 HB2 TYR 22 1HB TYR 22 -7.228 8.579 2.689 163 HB3 TYR 22 2HB TYR 22 -5.770 9.421 3.148 164 HD1 TYR 22 HD2 TYR 22 -7.042 7.060 0.525 165 HD2 TYR 22 HD1 TYR 22 -4.143 10.061 1.580 166 HE1 TYR 22 HE2 TYR 22 -6.411 7.315 -1.886 167 HE2 TYR 22 HE1 TYR 22 -3.494 10.275 -0.795 168 HH TYR 22 HH TYR 22 -4.125 9.802 -2.974 169 H SER 23 H SER 23 -6.990 7.261 5.575 170 HA SER 23 HA SER 23 -5.076 8.667 7.274 171 HB2 SER 23 1HB SER 23 -7.797 8.471 7.263 172 HB3 SER 23 2HB SER 23 -7.386 7.318 8.545 173 HG SER 23 HG SER 23 -7.626 9.627 9.153 174 H ILE 24 H ILE 24 -5.803 5.306 6.573 175 HA ILE 24 HA ILE 24 -4.671 4.126 8.975 176 HB ILE 24 HB ILE 24 -5.029 2.886 6.211 177 HG12 ILE 24 1HG1 ILE 24 -6.809 2.781 8.696 178 HG13 ILE 24 2HG1 ILE 24 -7.152 3.659 7.212 179 HG21 ILE 24 1HG2 ILE 24 -3.376 1.631 7.542 180 HG22 ILE 24 2HG2 ILE 24 -4.509 1.563 8.911 181 HG23 ILE 24 3HG2 ILE 24 -4.858 0.716 7.391 182 HD11 ILE 24 3HD1 ILE 24 -6.993 1.385 5.999 183 HD12 ILE 24 1HD1 ILE 24 -7.162 0.674 7.620 184 HD13 ILE 24 2HD1 ILE 24 -8.431 1.735 6.989 185 H LEU 25 H LEU 25 -3.333 4.555 5.642 186 HA LEU 25 HA LEU 25 -0.659 3.882 6.617 187 HB2 LEU 25 1HB LEU 25 -0.152 4.602 4.156 188 HB3 LEU 25 2HB LEU 25 -0.729 3.021 4.588 189 HG LEU 25 HG LEU 25 -2.968 3.562 3.768 190 HD11 LEU 25 1HD1 LEU 25 -3.239 5.854 4.111 191 HD12 LEU 25 2HD1 LEU 25 -3.067 5.745 2.345 192 HD13 LEU 25 3HD1 LEU 25 -1.734 6.297 3.363 193 HD21 LEU 25 3HD2 LEU 25 -0.781 4.306 1.783 194 HD22 LEU 25 1HD2 LEU 25 -2.411 3.714 1.399 195 HD23 LEU 25 2HD2 LEU 25 -1.259 2.654 2.227 196 H LYS 26 H LYS 26 -2.362 6.796 6.601 197 HA LYS 26 HA LYS 26 -0.316 8.690 6.070 198 HB2 LYS 26 1HB LYS 26 -2.988 8.785 6.997 199 HB3 LYS 26 2HB LYS 26 -2.089 9.449 8.322 200 HG2 LYS 26 1HG LYS 26 -2.735 11.273 6.917 201 HG3 LYS 26 2HG LYS 26 -0.993 11.050 6.754 202 HD2 LYS 26 1HD LYS 26 -1.649 9.609 4.614 203 HD3 LYS 26 2HD LYS 26 -3.225 10.356 4.801 204 HE2 LYS 26 1HE LYS 26 -1.809 11.459 3.122 205 HE3 LYS 26 2HE LYS 26 -2.364 12.554 4.389 206 HZ1 LYS 26 3HZ LYS 26 0.309 11.282 4.563 207 HZ2 LYS 26 1HZ LYS 26 -0.222 12.627 5.323 208 HZ3 LYS 26 2HZ LYS 26 0.104 12.663 3.729 209 H GLU 27 H GLU 27 -0.723 6.740 8.896 210 HA GLU 27 HA GLU 27 1.148 8.243 10.582 211 HB2 GLU 27 1HB GLU 27 -0.796 6.793 11.369 212 HB3 GLU 27 2HB GLU 27 0.139 5.384 10.887 213 HG2 GLU 27 1HG GLU 27 1.186 5.406 12.865 214 HG3 GLU 27 2HG GLU 27 1.892 6.974 12.502 215 H LYS 28 H LYS 28 3.368 7.968 10.665 216 HA LYS 28 HA LYS 28 4.635 5.920 8.962 217 HB2 LYS 28 1HB LYS 28 5.580 8.475 10.267 218 HB3 LYS 28 2HB LYS 28 6.739 7.251 9.787 219 HG2 LYS 28 1HG LYS 28 6.590 8.828 8.036 220 HG3 LYS 28 2HG LYS 28 5.975 7.281 7.482 221 HD2 LYS 28 1HD LYS 28 4.783 9.188 6.562 222 HD3 LYS 28 2HD LYS 28 3.697 8.115 7.436 223 HE2 LYS 28 1HE LYS 28 3.467 9.622 9.250 224 HE3 LYS 28 2HE LYS 28 4.931 10.523 8.836 225 HZ1 LYS 28 3HZ LYS 28 3.761 11.799 7.390 226 HZ2 LYS 28 1HZ LYS 28 2.420 11.249 8.157 227 HZ3 LYS 28 2HZ LYS 28 2.905 10.534 6.778 228 H ASP 29 H ASP 29 3.574 5.870 12.043 229 HA ASP 29 HA ASP 29 5.841 4.537 13.350 230 HB2 ASP 29 1HB ASP 29 3.001 5.049 14.296 231 HB3 ASP 29 2HB ASP 29 4.314 4.435 15.297 232 H ILE 30 H ILE 30 4.392 3.266 11.026 233 HA ILE 30 HA ILE 30 3.547 0.637 12.129 234 HB ILE 30 HB ILE 30 2.607 0.326 9.769 235 HG12 ILE 30 1HG1 ILE 30 1.915 2.508 8.705 236 HG13 ILE 30 2HG1 ILE 30 3.061 3.334 9.718 237 HG21 ILE 30 1HG2 ILE 30 1.175 0.686 11.671 238 HG22 ILE 30 2HG2 ILE 30 1.488 2.440 11.641 239 HG23 ILE 30 3HG2 ILE 30 0.585 1.675 10.321 240 HD11 ILE 30 3HD1 ILE 30 3.875 2.904 7.433 241 HD12 ILE 30 1HD1 ILE 30 4.926 2.165 8.658 242 HD13 ILE 30 2HD1 ILE 30 3.820 1.151 7.725 243 H SER 31 H SER 31 6.377 1.817 11.338 244 HA SER 31 HA SER 31 7.534 0.343 9.259 245 HB2 SER 31 1HB SER 31 9.692 0.673 10.410 246 HB3 SER 31 2HB SER 31 8.725 2.148 10.293 247 HG SER 31 HG SER 31 9.736 1.047 12.482 248 H VAL 32 H VAL 32 8.053 -1.676 8.894 249 HA VAL 32 HA VAL 32 7.622 -3.758 10.960 250 HB VAL 32 HB VAL 32 7.940 -3.874 7.935 251 HG11 VAL 32 1HG1 VAL 32 7.415 -6.276 8.153 252 HG12 VAL 32 2HG1 VAL 32 9.005 -5.884 8.805 253 HG13 VAL 32 3HG1 VAL 32 7.649 -6.152 9.921 254 HG21 VAL 32 3HG2 VAL 32 5.753 -3.102 8.727 255 HG22 VAL 32 1HG2 VAL 32 5.628 -4.731 8.064 256 HG23 VAL 32 2HG2 VAL 32 5.631 -4.492 9.822 257 H ASP 33 H ASP 33 9.227 -4.737 12.015 258 HA ASP 33 HA ASP 33 11.987 -3.958 11.797 259 HB2 ASP 33 1HB ASP 33 10.455 -6.104 13.278 260 HB3 ASP 33 2HB ASP 33 12.208 -6.196 13.219 261 H SER 34 H SER 34 13.753 -4.908 10.852 262 HA SER 34 HA SER 34 13.394 -6.377 8.473 263 HB2 SER 34 1HB SER 34 15.398 -4.879 9.426 264 HB3 SER 34 2HB SER 34 16.065 -6.464 9.841 265 HG SER 34 HG SER 34 15.446 -5.349 7.318 266 H THR 35 H THR 35 14.196 -7.600 11.688 267 HA THR 35 HA THR 35 14.904 -10.314 10.947 268 HB THR 35 HB THR 35 13.755 -9.220 13.548 269 HG1 THR 35 HG1 THR 35 15.792 -8.385 12.963 270 HG21 THR 35 3HG2 THR 35 14.806 -11.221 14.597 271 HG22 THR 35 1HG2 THR 35 15.124 -11.887 12.980 272 HG23 THR 35 2HG2 THR 35 13.451 -11.651 13.547 273 H THR 36 H THR 36 11.813 -8.804 11.844 274 HA THR 36 HA THR 36 10.257 -11.251 11.366 275 HB THR 36 HB THR 36 9.397 -8.409 12.020 276 HG1 THR 36 HG1 THR 36 9.162 -9.302 14.083 277 HG21 THR 36 3HG2 THR 36 7.850 -11.023 11.835 278 HG22 THR 36 1HG2 THR 36 7.480 -9.435 11.125 279 HG23 THR 36 2HG2 THR 36 7.305 -9.677 12.864 280 H TRP 37 H TRP 37 11.224 -8.458 9.467 281 HA TRP 37 HA TRP 37 9.289 -8.292 7.582 282 HB2 TRP 37 1HB TRP 37 11.122 -6.759 7.586 283 HB3 TRP 37 2HB TRP 37 12.263 -8.037 7.169 284 HD1 TRP 37 HD1 TRP 37 13.138 -7.247 4.907 285 HE1 TRP 37 HE1 TRP 37 12.109 -6.918 2.569 286 HE3 TRP 37 HE3 TRP 37 8.164 -7.391 6.156 287 HZ2 TRP 37 HZ2 TRP 37 9.442 -6.952 1.383 288 HZ3 TRP 37 HZ3 TRP 37 6.466 -7.424 4.442 289 HH2 TRP 37 HH2 TRP 37 7.057 -7.238 2.036 290 H ASN 38 H ASN 38 11.942 -10.641 7.464 291 HA ASN 38 HA ASN 38 11.348 -11.957 5.049 292 HB2 ASN 38 1HB ASN 38 12.494 -12.908 7.704 293 HB3 ASN 38 2HB ASN 38 12.337 -14.010 6.339 294 HD21 ASN 38 2HD2 ASN 38 13.220 -12.917 4.129 295 HD22 ASN 38 1HD2 ASN 38 14.820 -12.227 4.361 296 H ARG 39 H ARG 39 9.642 -12.307 8.113 297 HA ARG 39 HA ARG 39 7.943 -14.539 7.117 298 HB2 ARG 39 1HB ARG 39 8.042 -13.090 9.799 299 HB3 ARG 39 2HB ARG 39 6.813 -14.270 9.362 300 HG2 ARG 39 1HG ARG 39 8.450 -15.415 10.639 301 HG3 ARG 39 2HG ARG 39 8.574 -15.987 8.970 302 HD2 ARG 39 1HD ARG 39 10.554 -14.650 8.594 303 HD3 ARG 39 2HD ARG 39 10.371 -13.844 10.174 304 HE ARG 39 HE ARG 39 10.613 -16.729 10.402 305 HH11 ARG 39 1HH1 ARG 39 12.584 -13.820 10.122 306 HH12 ARG 39 2HH1 ARG 39 14.032 -14.681 10.540 307 HH21 ARG 39 1HH2 ARG 39 12.480 -17.702 11.060 308 HH22 ARG 39 2HH2 ARG 39 13.962 -16.797 11.123 309 H ARG 40 H ARG 40 7.650 -11.136 7.995 310 HA ARG 40 HA ARG 40 4.892 -10.670 7.499 311 HB2 ARG 40 1HB ARG 40 7.345 -8.981 7.336 312 HB3 ARG 40 2HB ARG 40 5.793 -8.290 6.872 313 HG2 ARG 40 1HG ARG 40 6.084 -9.771 9.487 314 HG3 ARG 40 2HG ARG 40 6.651 -8.094 9.322 315 HD2 ARG 40 1HD ARG 40 4.620 -7.201 9.183 316 HD3 ARG 40 2HD ARG 40 3.899 -8.603 8.376 317 HE ARG 40 HE ARG 40 3.305 -9.510 10.379 318 HH11 ARG 40 1HH1 ARG 40 5.584 -6.965 11.167 319 HH12 ARG 40 2HH1 ARG 40 5.334 -7.141 12.883 320 HH21 ARG 40 1HH2 ARG 40 2.952 -9.606 12.540 321 HH22 ARG 40 2HH2 ARG 40 3.851 -8.599 13.641 322 H TYR 41 H TYR 41 7.559 -10.843 5.189 323 HA TYR 41 HA TYR 41 6.257 -10.019 2.858 324 HB2 TYR 41 1HB TYR 41 8.708 -10.915 3.348 325 HB3 TYR 41 2HB TYR 41 8.062 -12.442 2.777 326 HD1 TYR 41 HD2 TYR 41 6.634 -12.162 0.419 327 HD2 TYR 41 HD1 TYR 41 9.779 -9.573 1.827 328 HE1 TYR 41 HE2 TYR 41 6.913 -11.259 -1.875 329 HE2 TYR 41 HE1 TYR 41 10.083 -8.689 -0.478 330 HH TYR 41 HH TYR 41 9.463 -8.862 -2.658 331 H ARG 42 H ARG 42 6.046 -13.155 4.512 332 HA ARG 42 HA ARG 42 4.545 -14.540 2.480 333 HB2 ARG 42 1HB ARG 42 5.967 -15.524 4.447 334 HB3 ARG 42 2HB ARG 42 4.534 -15.262 5.436 335 HG2 ARG 42 1HG ARG 42 4.484 -17.505 4.700 336 HG3 ARG 42 2HG ARG 42 3.225 -16.677 3.772 337 HD2 ARG 42 1HD ARG 42 4.490 -16.729 1.772 338 HD3 ARG 42 2HD ARG 42 6.026 -16.884 2.649 339 HE ARG 42 HE ARG 42 4.258 -19.156 3.040 340 HH11 ARG 42 1HH1 ARG 42 6.746 -17.902 0.933 341 HH12 ARG 42 2HH1 ARG 42 7.293 -19.487 0.458 342 HH21 ARG 42 1HH2 ARG 42 4.971 -21.163 2.377 343 HH22 ARG 42 2HH2 ARG 42 6.295 -21.285 1.255 344 H GLU 43 H GLU 43 3.430 -13.204 5.632 345 HA GLU 43 HA GLU 43 0.644 -13.645 5.152 346 HB2 GLU 43 1HB GLU 43 0.236 -11.775 6.777 347 HB3 GLU 43 2HB GLU 43 1.227 -13.127 7.360 348 HG2 GLU 43 1HG GLU 43 3.251 -11.776 6.968 349 HG3 GLU 43 2HG GLU 43 2.241 -10.388 6.530 350 H TYR 44 H TYR 44 2.576 -10.670 4.475 351 HA TYR 44 HA TYR 44 0.460 -9.290 3.179 352 HB2 TYR 44 1HB TYR 44 3.452 -9.077 2.860 353 HB3 TYR 44 2HB TYR 44 2.308 -7.908 2.243 354 HD1 TYR 44 HD2 TYR 44 0.533 -8.341 5.042 355 HD2 TYR 44 HD1 TYR 44 4.538 -7.227 3.981 356 HE1 TYR 44 HE2 TYR 44 0.742 -7.145 7.189 357 HE2 TYR 44 HE1 TYR 44 4.845 -6.199 6.322 358 HH TYR 44 HH TYR 44 2.045 -5.820 8.491 359 H MET 45 H MET 45 2.791 -11.603 1.727 360 HA MET 45 HA MET 45 2.083 -11.263 -0.970 361 HB2 MET 45 1HB MET 45 3.285 -13.452 0.642 362 HB3 MET 45 2HB MET 45 2.354 -14.035 -0.722 363 HG2 MET 45 1HG MET 45 3.621 -12.348 -2.159 364 HG3 MET 45 2HG MET 45 4.710 -12.144 -0.795 365 HE1 MET 45 3HE MET 45 5.989 -14.556 -3.978 366 HE2 MET 45 1HE MET 45 4.407 -13.756 -4.099 367 HE3 MET 45 2HE MET 45 5.821 -12.844 -3.520 368 H GLU 46 H GLU 46 0.204 -12.894 1.545 369 HA GLU 46 HA GLU 46 -1.760 -14.008 -0.335 370 HB2 GLU 46 1HB GLU 46 -2.092 -13.647 2.657 371 HB3 GLU 46 2HB GLU 46 -2.968 -14.741 1.567 372 HG2 GLU 46 1HG GLU 46 -0.873 -15.959 1.098 373 HG3 GLU 46 2HG GLU 46 0.005 -14.890 2.177 374 H LYS 47 H LYS 47 -1.518 -11.165 1.781 375 HA LYS 47 HA LYS 47 -4.164 -10.209 1.427 376 HB2 LYS 47 1HB LYS 47 -1.566 -8.840 2.148 377 HB3 LYS 47 2HB LYS 47 -2.933 -7.853 1.681 378 HG2 LYS 47 1HG LYS 47 -2.981 -7.881 3.966 379 HG3 LYS 47 2HG LYS 47 -4.325 -8.902 3.458 380 HD2 LYS 47 1HD LYS 47 -3.509 -10.634 4.699 381 HD3 LYS 47 2HD LYS 47 -1.956 -10.504 3.893 382 HE2 LYS 47 1HE LYS 47 -1.243 -10.042 6.022 383 HE3 LYS 47 2HE LYS 47 -1.597 -8.407 5.460 384 HZ1 LYS 47 3HZ LYS 47 -3.341 -10.099 7.158 385 HZ2 LYS 47 1HZ LYS 47 -3.853 -8.693 6.505 386 HZ3 LYS 47 2HZ LYS 47 -2.616 -8.703 7.592 387 H ILE 48 H ILE 48 -1.598 -10.246 -0.870 388 HA ILE 48 HA ILE 48 -2.605 -8.198 -2.642 389 HB ILE 48 HB ILE 48 -0.920 -10.517 -3.588 390 HG12 ILE 48 1HG1 ILE 48 0.232 -9.983 -1.586 391 HG13 ILE 48 2HG1 ILE 48 1.101 -9.201 -2.888 392 HG21 ILE 48 1HG2 ILE 48 0.180 -8.654 -4.847 393 HG22 ILE 48 2HG2 ILE 48 -1.509 -8.900 -5.304 394 HG23 ILE 48 3HG2 ILE 48 -1.049 -7.541 -4.257 395 HD11 ILE 48 3HD1 ILE 48 1.043 -7.415 -1.500 396 HD12 ILE 48 1HD1 ILE 48 -0.543 -7.105 -2.198 397 HD13 ILE 48 2HD1 ILE 48 -0.457 -7.937 -0.663 398 H LYS 49 H LYS 49 -3.635 -11.373 -2.046 399 HA LYS 49 HA LYS 49 -5.286 -11.523 -4.565 400 HB2 LYS 49 1HB LYS 49 -4.370 -13.841 -2.859 401 HB3 LYS 49 2HB LYS 49 -5.031 -13.897 -4.489 402 HG2 LYS 49 1HG LYS 49 -2.991 -12.912 -5.420 403 HG3 LYS 49 2HG LYS 49 -2.294 -12.691 -3.809 404 HD2 LYS 49 1HD LYS 49 -2.998 -15.374 -5.038 405 HD3 LYS 49 2HD LYS 49 -1.380 -14.676 -4.946 406 HE2 LYS 49 1HE LYS 49 -1.068 -15.314 -2.807 407 HE3 LYS 49 2HE LYS 49 -2.598 -14.625 -2.294 408 HZ1 LYS 49 3HZ LYS 49 -3.691 -16.678 -3.178 409 HZ2 LYS 49 1HZ LYS 49 -2.683 -16.981 -1.931 410 HZ3 LYS 49 2HZ LYS 49 -2.219 -17.329 -3.456 411 H THR 50 H THR 50 -5.227 -11.943 -1.099 412 HA THR 50 HA THR 50 -8.184 -12.507 -1.025 413 HB THR 50 HB THR 50 -7.925 -13.760 0.907 414 HG1 THR 50 HG1 THR 50 -6.104 -13.771 2.178 415 HG21 THR 50 3HG2 THR 50 -6.308 -15.476 0.476 416 HG22 THR 50 1HG2 THR 50 -5.267 -14.363 -0.434 417 HG23 THR 50 2HG2 THR 50 -6.835 -14.883 -1.116 418 H GLY 51 H GLY 51 -5.660 -10.439 0.127 419 HA2 GLY 51 1HA GLY 51 -6.969 -9.243 2.352 420 HA3 GLY 51 2HA GLY 51 -5.598 -8.552 1.481 421 H SER 52 H SER 52 -8.145 -7.505 2.563 422 HA SER 52 HA SER 52 -9.667 -6.553 0.293 423 HB2 SER 52 1HB SER 52 -9.998 -6.702 3.097 424 HB3 SER 52 2HB SER 52 -9.948 -4.967 2.762 425 HG SER 52 HG SER 52 -11.451 -5.685 0.901 426 H VAL 53 H VAL 53 -10.067 -4.141 0.056 427 HA VAL 53 HA VAL 53 -7.997 -2.604 -0.853 428 HB VAL 53 HB VAL 53 -10.229 -1.979 -1.262 429 HG11 VAL 53 1HG1 VAL 53 -11.794 -1.153 0.320 430 HG12 VAL 53 2HG1 VAL 53 -11.316 -2.785 0.764 431 HG13 VAL 53 3HG1 VAL 53 -10.666 -1.391 1.655 432 HG21 VAL 53 3HG2 VAL 53 -9.228 0.258 0.535 433 HG22 VAL 53 1HG2 VAL 53 -8.512 -0.102 -1.043 434 HG23 VAL 53 2HG2 VAL 53 -10.212 0.374 -0.929 435 H PHE 54 H PHE 54 -9.265 -2.308 2.458 436 HA PHE 54 HA PHE 54 -7.381 -0.469 3.475 437 HB2 PHE 54 1HB PHE 54 -8.937 -2.709 4.834 438 HB3 PHE 54 2HB PHE 54 -8.050 -1.455 5.701 439 HD1 PHE 54 HD2 PHE 54 -8.747 1.104 4.599 440 HD2 PHE 54 HD1 PHE 54 -11.248 -2.405 4.916 441 HE1 PHE 54 HE2 PHE 54 -10.778 2.528 4.452 442 HE2 PHE 54 HE1 PHE 54 -13.261 -0.937 4.862 443 HZ PHE 54 HZ PHE 54 -13.010 1.513 4.686 444 H GLU 55 H GLU 55 -7.063 -3.954 2.953 445 HA GLU 55 HA GLU 55 -4.561 -4.164 4.480 446 HB2 GLU 55 1HB GLU 55 -5.879 -6.230 2.677 447 HB3 GLU 55 2HB GLU 55 -4.518 -6.433 3.764 448 HG2 GLU 55 1HG GLU 55 -6.131 -5.588 5.639 449 HG3 GLU 55 2HG GLU 55 -7.419 -5.959 4.485 450 H ILE 56 H ILE 56 -5.425 -4.266 0.950 451 HA ILE 56 HA ILE 56 -2.857 -4.559 -0.128 452 HB ILE 56 HB ILE 56 -5.234 -2.962 -1.080 453 HG12 ILE 56 1HG1 ILE 56 -5.451 -5.423 -0.936 454 HG13 ILE 56 2HG1 ILE 56 -5.649 -4.780 -2.561 455 HG21 ILE 56 1HG2 ILE 56 -2.654 -3.413 -2.622 456 HG22 ILE 56 2HG2 ILE 56 -4.214 -2.873 -3.300 457 HG23 ILE 56 3HG2 ILE 56 -3.373 -1.863 -2.154 458 HD11 ILE 56 3HD1 ILE 56 -3.194 -6.205 -1.473 459 HD12 ILE 56 1HD1 ILE 56 -4.399 -6.836 -2.615 460 HD13 ILE 56 2HD1 ILE 56 -3.326 -5.517 -3.105 461 H ALA 57 H ALA 57 -4.460 -1.484 0.738 462 HA ALA 57 HA ALA 57 -2.196 0.187 0.220 463 HB1 ALA 57 3HB ALA 57 -4.238 1.301 0.472 464 HB2 ALA 57 1HB ALA 57 -4.681 0.368 1.922 465 HB3 ALA 57 2HB ALA 57 -3.456 1.639 2.030 466 H GLU 58 H GLU 58 -3.063 -1.570 3.277 467 HA GLU 58 HA GLU 58 -0.815 -0.551 4.761 468 HB2 GLU 58 1HB GLU 58 -2.619 -2.965 5.080 469 HB3 GLU 58 2HB GLU 58 -1.218 -2.705 6.104 470 HG2 GLU 58 1HG GLU 58 -2.195 -0.323 6.486 471 HG3 GLU 58 2HG GLU 58 -3.690 -0.971 5.897 472 H VAL 59 H VAL 59 -1.131 -3.357 2.590 473 HA VAL 59 HA VAL 59 1.360 -4.599 3.191 474 HB VAL 59 HB VAL 59 -0.152 -4.537 0.546 475 HG11 VAL 59 1HG1 VAL 59 1.905 -5.266 -0.206 476 HG12 VAL 59 2HG1 VAL 59 2.433 -5.803 1.401 477 HG13 VAL 59 3HG1 VAL 59 1.340 -6.802 0.478 478 HG21 VAL 59 3HG2 VAL 59 -1.144 -5.694 2.731 479 HG22 VAL 59 1HG2 VAL 59 -1.205 -6.458 1.137 480 HG23 VAL 59 2HG2 VAL 59 0.018 -6.949 2.334 481 H LEU 60 H LEU 60 0.711 -2.496 0.345 482 HA LEU 60 HA LEU 60 3.453 -2.240 -0.346 483 HB2 LEU 60 1HB LEU 60 2.628 -1.365 -2.127 484 HB3 LEU 60 2HB LEU 60 1.023 -1.504 -1.488 485 HG LEU 60 HG LEU 60 2.738 1.003 -1.104 486 HD11 LEU 60 1HD1 LEU 60 1.690 1.904 -3.014 487 HD12 LEU 60 2HD1 LEU 60 0.659 0.455 -3.226 488 HD13 LEU 60 3HD1 LEU 60 2.420 0.374 -3.460 489 HD21 LEU 60 3HD2 LEU 60 0.888 1.105 0.425 490 HD22 LEU 60 1HD2 LEU 60 -0.204 0.338 -0.732 491 HD23 LEU 60 2HD2 LEU 60 0.365 2.011 -0.951 492 H ARG 61 H ARG 61 1.558 -0.351 1.899 493 HA ARG 61 HA ARG 61 3.320 1.833 2.436 494 HB2 ARG 61 1HB ARG 61 1.043 1.820 3.286 495 HB3 ARG 61 2HB ARG 61 1.291 0.276 4.065 496 HG2 ARG 61 1HG ARG 61 3.054 1.521 5.565 497 HG3 ARG 61 2HG ARG 61 2.258 2.972 4.993 498 HD2 ARG 61 1HD ARG 61 1.005 2.546 6.837 499 HD3 ARG 61 2HD ARG 61 0.070 1.576 5.685 500 HE ARG 61 HE ARG 61 2.083 -0.109 6.839 501 HH11 ARG 61 1HH1 ARG 61 -0.856 1.479 7.929 502 HH12 ARG 61 2HH1 ARG 61 -1.358 0.005 8.739 503 HH21 ARG 61 1HH2 ARG 61 1.530 -1.691 8.041 504 HH22 ARG 61 2HH2 ARG 61 0.082 -1.635 9.066 505 H ASP 62 H ASP 62 3.025 -1.293 4.133 506 HA ASP 62 HA ASP 62 5.201 -0.811 5.893 507 HB2 ASP 62 1HB ASP 62 4.026 -3.435 4.887 508 HB3 ASP 62 2HB ASP 62 5.208 -3.295 6.191 509 H LEU 63 H LEU 63 5.178 -2.425 2.694 510 HA LEU 63 HA LEU 63 7.983 -2.918 2.488 511 HB2 LEU 63 1HB LEU 63 5.776 -2.530 0.440 512 HB3 LEU 63 2HB LEU 63 7.462 -2.666 -0.036 513 HG LEU 63 HG LEU 63 7.535 -4.819 1.409 514 HD11 LEU 63 1HD1 LEU 63 5.311 -4.654 2.493 515 HD12 LEU 63 2HD1 LEU 63 5.354 -6.063 1.433 516 HD13 LEU 63 3HD1 LEU 63 4.540 -4.606 0.886 517 HD21 LEU 63 3HD2 LEU 63 7.002 -6.145 -0.457 518 HD22 LEU 63 1HD2 LEU 63 7.577 -4.605 -1.103 519 HD23 LEU 63 2HD2 LEU 63 5.839 -4.954 -1.100 520 H TYR 64 H TYR 64 6.186 0.078 1.694 521 HA TYR 64 HA TYR 64 8.485 1.443 0.619 522 HB2 TYR 64 1HB TYR 64 5.699 2.141 1.359 523 HB3 TYR 64 2HB TYR 64 6.844 3.445 1.567 524 HD1 TYR 64 HD1 TYR 64 8.524 3.901 -0.374 525 HD2 TYR 64 HD2 TYR 64 4.821 1.767 -0.816 526 HE1 TYR 64 HE1 TYR 64 8.429 4.577 -2.764 527 HE2 TYR 64 HE2 TYR 64 4.744 2.386 -3.220 528 HH TYR 64 HH TYR 64 7.037 4.784 -4.575 529 H LEU 65 H LEU 65 7.006 1.603 3.893 530 HA LEU 65 HA LEU 65 9.107 3.357 4.886 531 HB2 LEU 65 1HB LEU 65 6.997 1.711 6.328 532 HB3 LEU 65 2HB LEU 65 8.223 2.677 7.140 533 HG LEU 65 HG LEU 65 7.339 4.658 5.573 534 HD11 LEU 65 1HD1 LEU 65 5.781 3.539 4.201 535 HD12 LEU 65 2HD1 LEU 65 4.844 4.472 5.368 536 HD13 LEU 65 3HD1 LEU 65 5.031 2.722 5.581 537 HD21 LEU 65 3HD2 LEU 65 5.404 4.783 7.461 538 HD22 LEU 65 1HD2 LEU 65 7.108 5.183 7.749 539 HD23 LEU 65 2HD2 LEU 65 6.484 3.607 8.219 540 H LEU 66 H LEU 66 8.865 -0.130 4.626 541 HA LEU 66 HA LEU 66 10.891 -0.959 6.391 542 HB2 LEU 66 1HB LEU 66 9.648 -1.978 3.873 543 HB3 LEU 66 2HB LEU 66 11.220 -2.650 4.233 544 HG LEU 66 HG LEU 66 9.129 -2.539 6.423 545 HD11 LEU 66 1HD1 LEU 66 7.965 -3.662 4.589 546 HD12 LEU 66 2HD1 LEU 66 8.454 -4.833 5.792 547 HD13 LEU 66 3HD1 LEU 66 9.376 -4.663 4.268 548 HD21 LEU 66 3HD2 LEU 66 10.375 -4.536 7.181 549 HD22 LEU 66 1HD2 LEU 66 11.474 -3.164 6.971 550 HD23 LEU 66 2HD2 LEU 66 11.415 -4.451 5.748 551 H LYS 67 H LYS 67 11.233 0.491 3.175 552 HA LYS 67 HA LYS 67 14.211 0.420 3.411 553 HB2 LYS 67 1HB LYS 67 12.586 0.171 1.216 554 HB3 LYS 67 2HB LYS 67 12.857 1.914 1.191 555 HG2 LYS 67 1HG LYS 67 14.648 1.089 -0.104 556 HG3 LYS 67 2HG LYS 67 15.393 1.289 1.483 557 HD2 LYS 67 1HD LYS 67 14.325 -1.270 1.681 558 HD3 LYS 67 2HD LYS 67 14.720 -1.197 -0.030 559 HE2 LYS 67 1HE LYS 67 17.052 -0.763 0.467 560 HE3 LYS 67 2HE LYS 67 16.686 -0.510 2.186 561 HZ1 LYS 67 3HZ LYS 67 15.985 -2.847 2.306 562 HZ2 LYS 67 1HZ LYS 67 17.536 -2.757 1.771 563 HZ3 LYS 67 2HZ LYS 67 16.335 -3.057 0.712 564 H GLY 68 H GLY 68 11.540 2.712 3.599 565 HA2 GLY 68 1HA GLY 68 11.437 4.883 4.421 566 HA3 GLY 68 2HA GLY 68 13.117 4.769 4.940 567 H ASP 69 H ASP 69 12.612 4.025 1.597 568 HA ASP 69 HA ASP 69 13.423 6.747 0.679 569 HB2 ASP 69 1HB ASP 69 14.609 4.179 -0.389 570 HB3 ASP 69 2HB ASP 69 15.066 5.822 -0.800 571 H LYS 70 H LYS 70 12.932 7.172 -1.525 572 HA LYS 70 HA LYS 70 10.494 6.085 -2.610 573 HB2 LYS 70 1HB LYS 70 10.988 7.539 -4.550 574 HB3 LYS 70 2HB LYS 70 11.148 8.362 -3.007 575 HG2 LYS 70 1HG LYS 70 13.723 7.787 -3.243 576 HG3 LYS 70 2HG LYS 70 13.343 7.552 -4.944 577 HD2 LYS 70 1HD LYS 70 12.485 10.082 -3.482 578 HD3 LYS 70 2HD LYS 70 14.160 9.884 -3.992 579 HE2 LYS 70 1HE LYS 70 13.593 9.742 -6.295 580 HE3 LYS 70 2HE LYS 70 11.868 9.544 -5.953 581 HZ1 LYS 70 3HZ LYS 70 12.402 11.833 -6.610 582 HZ2 LYS 70 1HZ LYS 70 13.433 12.001 -5.356 583 HZ3 LYS 70 2HZ LYS 70 11.839 11.823 -5.067 584 H ASP 71 H ASP 71 13.855 5.417 -3.335 585 HA ASP 71 HA ASP 71 13.177 3.457 -5.459 586 HB2 ASP 71 1HB ASP 71 14.977 5.238 -5.673 587 HB3 ASP 71 2HB ASP 71 15.937 4.320 -4.522 588 H LEU 72 H LEU 72 12.149 1.915 -4.155 589 HA LEU 72 HA LEU 72 13.348 0.651 -1.862 590 HB2 LEU 72 1HB LEU 72 11.258 -0.502 -3.743 591 HB3 LEU 72 2HB LEU 72 11.607 -1.040 -2.102 592 HG LEU 72 HG LEU 72 10.418 1.647 -2.896 593 HD11 LEU 72 1HD1 LEU 72 8.788 0.057 -1.099 594 HD12 LEU 72 2HD1 LEU 72 9.185 -0.892 -2.529 595 HD13 LEU 72 3HD1 LEU 72 8.441 0.722 -2.690 596 HD21 LEU 72 3HD2 LEU 72 10.824 0.552 -0.092 597 HD22 LEU 72 1HD2 LEU 72 10.126 2.119 -0.561 598 HD23 LEU 72 2HD2 LEU 72 11.826 1.827 -0.846 599 H SER 73 H SER 73 13.966 -1.604 -1.699 600 HA SER 73 HA SER 73 16.108 -2.369 -3.527 601 HB2 SER 73 1HB SER 73 14.765 -3.536 -1.100 602 HB3 SER 73 2HB SER 73 15.705 -4.630 -2.120 603 HG SER 73 HG SER 73 17.525 -3.408 -1.788 604 H PHE 74 H PHE 74 16.160 -4.179 -4.911 605 HA PHE 74 HA PHE 74 13.999 -4.747 -6.577 606 HB2 PHE 74 1HB PHE 74 16.309 -5.249 -7.131 607 HB3 PHE 74 2HB PHE 74 16.412 -6.445 -5.848 608 HD1 PHE 74 HD1 PHE 74 14.565 -5.660 -9.032 609 HD2 PHE 74 HD2 PHE 74 15.912 -8.722 -6.304 610 HE1 PHE 74 HE1 PHE 74 13.801 -7.414 -10.616 611 HE2 PHE 74 HE2 PHE 74 15.154 -10.469 -7.892 612 HZ PHE 74 HZ PHE 74 14.091 -9.820 -10.049 613 H GLY 75 H GLY 75 14.961 -6.582 -3.668 614 HA2 GLY 75 1HA GLY 75 13.075 -8.673 -3.785 615 HA3 GLY 75 2HA GLY 75 13.804 -8.052 -2.299 616 H GLU 76 H GLU 76 12.682 -5.518 -2.064 617 HA GLU 76 HA GLU 76 9.903 -6.087 -1.325 618 HB2 GLU 76 1HB GLU 76 11.615 -3.575 -1.283 619 HB3 GLU 76 2HB GLU 76 9.920 -3.570 -0.818 620 HG2 GLU 76 1HG GLU 76 10.343 -4.432 1.210 621 HG3 GLU 76 2HG GLU 76 11.241 -5.781 0.536 622 H ARG 77 H ARG 77 11.433 -4.159 -3.915 623 HA ARG 77 HA ARG 77 9.180 -3.020 -5.109 624 HB2 ARG 77 1HB ARG 77 11.644 -2.655 -5.645 625 HB3 ARG 77 2HB ARG 77 11.585 -4.144 -6.580 626 HG2 ARG 77 1HG ARG 77 11.371 -2.495 -8.181 627 HG3 ARG 77 2HG ARG 77 9.687 -2.966 -7.955 628 HD2 ARG 77 1HD ARG 77 9.238 -0.981 -6.640 629 HD3 ARG 77 2HD ARG 77 10.973 -0.626 -6.483 630 HE ARG 77 HE ARG 77 10.302 -0.686 -9.254 631 HH11 ARG 77 1HH1 ARG 77 9.772 1.438 -6.530 632 HH12 ARG 77 2HH1 ARG 77 9.838 2.870 -7.521 633 HH21 ARG 77 1HH2 ARG 77 10.364 1.156 -10.460 634 HH22 ARG 77 2HH2 ARG 77 10.127 2.699 -9.701 635 H LYS 78 H LYS 78 10.349 -6.309 -5.556 636 HA LYS 78 HA LYS 78 8.702 -7.276 -7.624 637 HB2 LYS 78 1HB LYS 78 9.773 -8.612 -5.121 638 HB3 LYS 78 2HB LYS 78 8.885 -9.508 -6.335 639 HG2 LYS 78 1HG LYS 78 11.045 -7.820 -7.492 640 HG3 LYS 78 2HG LYS 78 11.646 -8.996 -6.333 641 HD2 LYS 78 1HD LYS 78 9.692 -10.001 -8.390 642 HD3 LYS 78 2HD LYS 78 11.291 -9.528 -8.969 643 HE2 LYS 78 1HE LYS 78 12.433 -11.105 -7.707 644 HE3 LYS 78 2HE LYS 78 11.144 -11.267 -6.512 645 HZ1 LYS 78 3HZ LYS 78 9.829 -12.480 -8.118 646 HZ2 LYS 78 1HZ LYS 78 11.289 -13.197 -8.015 647 HZ3 LYS 78 2HZ LYS 78 10.934 -12.262 -9.305 648 H MET 79 H MET 79 7.781 -7.439 -4.140 649 HA MET 79 HA MET 79 5.018 -8.185 -4.855 650 HB2 MET 79 1HB MET 79 6.142 -9.020 -2.796 651 HB3 MET 79 2HB MET 79 6.161 -7.371 -2.166 652 HG2 MET 79 1HG MET 79 3.474 -7.780 -2.836 653 HG3 MET 79 2HG MET 79 3.989 -9.375 -2.331 654 HE1 MET 79 3HE MET 79 4.884 -9.918 0.161 655 HE2 MET 79 1HE MET 79 6.151 -8.670 0.002 656 HE3 MET 79 2HE MET 79 5.080 -8.673 1.414 657 H LEU 80 H LEU 80 6.733 -5.210 -3.870 658 HA LEU 80 HA LEU 80 4.528 -3.528 -3.422 659 HB2 LEU 80 1HB LEU 80 6.992 -2.926 -3.120 660 HB3 LEU 80 2HB LEU 80 7.075 -2.777 -4.875 661 HG LEU 80 HG LEU 80 4.936 -1.159 -4.423 662 HD11 LEU 80 1HD1 LEU 80 5.448 -1.657 -1.853 663 HD12 LEU 80 2HD1 LEU 80 4.811 -0.122 -2.453 664 HD13 LEU 80 3HD1 LEU 80 6.528 -0.279 -2.088 665 HD21 LEU 80 3HD2 LEU 80 6.672 -0.427 -5.767 666 HD22 LEU 80 1HD2 LEU 80 7.869 -0.537 -4.478 667 HD23 LEU 80 2HD2 LEU 80 6.635 0.740 -4.419 668 H ASP 81 H ASP 81 6.104 -4.207 -6.598 669 HA ASP 81 HA ASP 81 4.523 -2.588 -8.242 670 HB2 ASP 81 1HB ASP 81 6.591 -4.039 -8.733 671 HB3 ASP 81 2HB ASP 81 5.477 -5.381 -8.971 672 H THR 82 H THR 82 3.764 -5.835 -6.988 673 HA THR 82 HA THR 82 1.270 -6.163 -8.399 674 HB THR 82 HB THR 82 1.802 -7.532 -5.771 675 HG1 THR 82 HG1 THR 82 3.137 -8.995 -6.805 676 HG21 THR 82 3HG2 THR 82 0.795 -9.429 -6.968 677 HG22 THR 82 1HG2 THR 82 0.855 -8.543 -8.504 678 HG23 THR 82 2HG2 THR 82 -0.238 -8.005 -7.215 679 H ALA 83 H ALA 83 2.034 -5.220 -4.997 680 HA ALA 83 HA ALA 83 -0.690 -4.652 -4.284 681 HB1 ALA 83 3HB ALA 83 1.835 -3.551 -3.007 682 HB2 ALA 83 1HB ALA 83 0.214 -3.718 -2.273 683 HB3 ALA 83 2HB ALA 83 1.155 -5.161 -2.684 684 H ARG 84 H ARG 84 1.720 -2.650 -5.888 685 HA ARG 84 HA ARG 84 0.484 -0.061 -5.678 686 HB2 ARG 84 1HB ARG 84 2.392 -1.344 -7.655 687 HB3 ARG 84 2HB ARG 84 1.742 0.256 -7.983 688 HG2 ARG 84 1HG ARG 84 3.040 -0.418 -5.345 689 HG3 ARG 84 2HG ARG 84 4.005 0.048 -6.739 690 HD2 ARG 84 1HD ARG 84 1.646 1.767 -5.864 691 HD3 ARG 84 2HD ARG 84 3.162 1.875 -5.007 692 HE ARG 84 HE ARG 84 2.561 2.990 -7.596 693 HH11 ARG 84 1HH1 ARG 84 5.245 1.673 -5.825 694 HH12 ARG 84 2HH1 ARG 84 6.399 2.709 -6.594 695 HH21 ARG 84 1HH2 ARG 84 4.111 4.234 -8.641 696 HH22 ARG 84 2HH2 ARG 84 5.784 4.006 -8.242 697 H SER 85 H SER 85 0.307 -2.458 -8.311 698 HA SER 85 HA SER 85 -1.624 -1.116 -9.902 699 HB2 SER 85 1HB SER 85 -0.150 -3.152 -10.464 700 HB3 SER 85 2HB SER 85 -1.439 -4.133 -9.734 701 HG SER 85 HG SER 85 -1.640 -3.769 -12.056 702 H LEU 86 H LEU 86 -2.046 -2.914 -6.970 703 HA LEU 86 HA LEU 86 -4.986 -2.970 -7.216 704 HB2 LEU 86 1HB LEU 86 -3.067 -4.065 -5.140 705 HB3 LEU 86 2HB LEU 86 -4.828 -4.201 -5.013 706 HG LEU 86 HG LEU 86 -3.320 -5.236 -7.442 707 HD11 LEU 86 1HD1 LEU 86 -3.308 -7.428 -6.457 708 HD12 LEU 86 2HD1 LEU 86 -4.086 -6.817 -4.982 709 HD13 LEU 86 3HD1 LEU 86 -2.443 -6.290 -5.411 710 HD21 LEU 86 3HD2 LEU 86 -5.795 -6.584 -6.546 711 HD22 LEU 86 1HD2 LEU 86 -5.322 -6.007 -8.158 712 HD23 LEU 86 2HD2 LEU 86 -6.063 -4.902 -6.979 713 H LEU 87 H LEU 87 -2.533 -1.324 -5.187 714 HA LEU 87 HA LEU 87 -4.106 0.074 -3.393 715 HB2 LEU 87 1HB LEU 87 -1.668 0.252 -3.391 716 HB3 LEU 87 2HB LEU 87 -1.677 0.988 -4.997 717 HG LEU 87 HG LEU 87 -3.011 2.940 -3.988 718 HD11 LEU 87 1HD1 LEU 87 -3.668 1.922 -1.862 719 HD12 LEU 87 2HD1 LEU 87 -2.613 3.319 -1.567 720 HD13 LEU 87 3HD1 LEU 87 -1.967 1.674 -1.433 721 HD21 LEU 87 3HD2 LEU 87 -1.121 4.123 -3.552 722 HD22 LEU 87 1HD2 LEU 87 -0.534 2.855 -4.630 723 HD23 LEU 87 2HD2 LEU 87 -0.272 2.740 -2.878 724 H ILE 88 H ILE 88 -3.206 1.237 -6.658 725 HA ILE 88 HA ILE 88 -5.067 3.419 -6.436 726 HB ILE 88 HB ILE 88 -4.462 4.209 -8.447 727 HG12 ILE 88 1HG1 ILE 88 -5.002 2.294 -9.903 728 HG13 ILE 88 2HG1 ILE 88 -3.466 3.051 -10.316 729 HG21 ILE 88 1HG2 ILE 88 -2.561 4.070 -6.841 730 HG22 ILE 88 2HG2 ILE 88 -1.942 2.687 -7.726 731 HG23 ILE 88 3HG2 ILE 88 -2.126 4.264 -8.542 732 HD11 ILE 88 3HD1 ILE 88 -3.689 0.518 -8.680 733 HD12 ILE 88 1HD1 ILE 88 -3.486 0.558 -10.442 734 HD13 ILE 88 2HD1 ILE 88 -2.219 1.221 -9.403 735 H LYS 89 H LYS 89 -5.552 0.156 -7.313 736 HA LYS 89 HA LYS 89 -7.692 0.304 -9.195 737 HB2 LYS 89 1HB LYS 89 -6.356 -1.775 -8.333 738 HB3 LYS 89 2HB LYS 89 -7.545 -1.826 -7.032 739 HG2 LYS 89 1HG LYS 89 -8.462 -3.289 -8.537 740 HG3 LYS 89 2HG LYS 89 -9.327 -1.811 -8.929 741 HD2 LYS 89 1HD LYS 89 -8.667 -2.210 -11.084 742 HD3 LYS 89 2HD LYS 89 -7.104 -1.580 -10.580 743 HE2 LYS 89 1HE LYS 89 -6.290 -3.571 -11.296 744 HE3 LYS 89 2HE LYS 89 -6.824 -4.151 -9.719 745 HZ1 LYS 89 3HZ LYS 89 -8.346 -4.340 -12.267 746 HZ2 LYS 89 1HZ LYS 89 -8.971 -4.769 -10.818 747 HZ3 LYS 89 2HZ LYS 89 -7.700 -5.587 -11.439 748 H GLU 90 H GLU 90 -7.804 0.224 -5.660 749 HA GLU 90 HA GLU 90 -10.738 0.296 -5.597 750 HB2 GLU 90 1HB GLU 90 -8.980 0.810 -3.203 751 HB3 GLU 90 2HB GLU 90 -10.592 0.144 -3.292 752 HG2 GLU 90 1HG GLU 90 -9.752 -1.909 -3.272 753 HG3 GLU 90 2HG GLU 90 -9.141 -1.658 -4.860 754 H LEU 91 H LEU 91 -8.088 2.412 -4.635 755 HA LEU 91 HA LEU 91 -9.490 4.766 -3.930 756 HB2 LEU 91 1HB LEU 91 -6.651 4.260 -4.933 757 HB3 LEU 91 2HB LEU 91 -7.216 5.792 -4.262 758 HG LEU 91 HG LEU 91 -7.190 3.141 -2.728 759 HD11 LEU 91 1HD1 LEU 91 -4.929 3.865 -3.053 760 HD12 LEU 91 2HD1 LEU 91 -5.385 4.280 -1.405 761 HD13 LEU 91 3HD1 LEU 91 -5.330 5.546 -2.653 762 HD21 LEU 91 3HD2 LEU 91 -7.423 5.059 -0.872 763 HD22 LEU 91 1HD2 LEU 91 -8.839 4.358 -1.676 764 HD23 LEU 91 2HD2 LEU 91 -8.163 5.919 -2.196 765 H SER 92 H SER 92 -8.647 3.589 -7.077 766 HA SER 92 HA SER 92 -8.747 5.675 -8.814 767 HB2 SER 92 1HB SER 92 -9.558 2.850 -8.968 768 HB3 SER 92 2HB SER 92 -10.311 3.880 -10.182 769 HG SER 92 HG SER 92 -7.947 2.886 -10.309 770 H LEU 93 H LEU 93 -11.486 4.525 -6.992 771 HA LEU 93 HA LEU 93 -13.585 5.779 -8.435 772 HB2 LEU 93 1HB LEU 93 -13.546 4.028 -6.425 773 HB3 LEU 93 2HB LEU 93 -13.642 5.462 -5.422 774 HG LEU 93 HG LEU 93 -15.841 4.640 -5.703 775 HD11 LEU 93 1HD1 LEU 93 -15.618 7.120 -5.957 776 HD12 LEU 93 2HD1 LEU 93 -17.066 6.429 -6.709 777 HD13 LEU 93 3HD1 LEU 93 -15.696 6.900 -7.725 778 HD21 LEU 93 3HD2 LEU 93 -15.272 4.471 -8.689 779 HD22 LEU 93 1HD2 LEU 93 -16.888 4.326 -7.979 780 HD23 LEU 93 2HD2 LEU 93 -15.629 3.156 -7.553 781 H ALA 94 H ALA 94 -12.124 6.962 -5.400 782 HA ALA 94 HA ALA 94 -13.208 9.636 -5.726 783 HB1 ALA 94 3HB ALA 94 -12.746 8.466 -3.538 784 HB2 ALA 94 1HB ALA 94 -11.011 8.713 -3.877 785 HB3 ALA 94 2HB ALA 94 -12.073 10.107 -3.655 786 H LYS 95 H LYS 95 -10.217 8.142 -6.738 787 HA LYS 95 HA LYS 95 -8.440 10.276 -7.021 788 HB2 LYS 95 1HB LYS 95 -7.234 8.660 -7.848 789 HB3 LYS 95 2HB LYS 95 -8.651 7.631 -8.008 790 HG2 LYS 95 1HG LYS 95 -9.023 8.540 -10.295 791 HG3 LYS 95 2HG LYS 95 -7.541 9.499 -10.115 792 HD2 LYS 95 1HD LYS 95 -6.279 7.775 -10.754 793 HD3 LYS 95 2HD LYS 95 -6.981 6.692 -9.562 794 HE2 LYS 95 1HE LYS 95 -8.833 6.133 -11.009 795 HE3 LYS 95 2HE LYS 95 -8.359 7.353 -12.190 796 HZ1 LYS 95 3HZ LYS 95 -7.633 5.139 -12.841 797 HZ2 LYS 95 1HZ LYS 95 -6.796 4.946 -11.469 798 HZ3 LYS 95 2HZ LYS 95 -6.318 6.081 -12.587 799 H ASP 96 H ASP 96 -11.063 9.442 -9.226 800 HA ASP 96 HA ASP 96 -11.937 10.413 -11.096 801 HB2 ASP 96 1HB ASP 96 -12.764 11.660 -9.038 802 HB3 ASP 96 2HB ASP 96 -11.684 12.970 -9.499 803 H CYS 97 H CYS 97 -9.066 10.190 -11.322 804 HA CYS 97 HA CYS 97 -8.346 12.067 -13.440 805 HB2 CYS 97 1HB CYS 97 -7.893 12.916 -10.844 806 HB3 CYS 97 2HB CYS 97 -6.364 12.123 -11.199 807 HG CYS 97 HG CYS 97 -5.461 13.798 -12.721 808 H SER 98 H SER 98 -5.599 11.655 -13.503 809 HA SER 98 HA SER 98 -5.269 8.959 -14.522 810 HB2 SER 98 1HB SER 98 -3.587 11.401 -14.137 811 HB3 SER 98 2HB SER 98 -2.694 9.882 -14.105 812 HG SER 98 HG SER 98 -3.372 9.398 -16.140 813 H GLU 99 H GLU 99 -3.733 7.320 -13.719 814 HA GLU 99 HA GLU 99 -4.042 6.582 -10.977 815 HB2 GLU 99 1HB GLU 99 -1.924 5.738 -12.989 816 HB3 GLU 99 2HB GLU 99 -2.118 5.025 -11.371 817 HG2 GLU 99 1HG GLU 99 -4.473 4.434 -11.939 818 HG3 GLU 99 2HG GLU 99 -4.236 5.048 -13.574 819 H ASP 100 H ASP 100 -1.642 8.643 -12.451 820 HA ASP 100 HA ASP 100 0.338 8.882 -10.498 821 HB2 ASP 100 1HB ASP 100 -0.894 10.820 -12.471 822 HB3 ASP 100 2HB ASP 100 0.211 11.427 -11.253 823 H GLU 101 H GLU 101 -3.052 9.992 -10.189 824 HA GLU 101 HA GLU 101 -2.694 11.927 -8.114 825 HB2 GLU 101 1HB GLU 101 -4.829 11.668 -9.247 826 HB3 GLU 101 2HB GLU 101 -4.948 9.988 -8.765 827 HG2 GLU 101 1HG GLU 101 -5.871 10.446 -6.833 828 HG3 GLU 101 2HG GLU 101 -4.602 11.551 -6.348 829 H ILE 102 H ILE 102 -3.386 8.430 -7.889 830 HA ILE 102 HA ILE 102 -2.913 8.355 -4.997 831 HB ILE 102 HB ILE 102 -3.513 6.180 -6.958 832 HG12 ILE 102 1HG1 ILE 102 -5.510 7.024 -4.883 833 HG13 ILE 102 2HG1 ILE 102 -5.254 8.217 -6.134 834 HG21 ILE 102 1HG2 ILE 102 -2.404 5.263 -4.965 835 HG22 ILE 102 2HG2 ILE 102 -3.463 6.195 -3.901 836 HG23 ILE 102 3HG2 ILE 102 -4.123 4.879 -4.908 837 HD11 ILE 102 3HD1 ILE 102 -5.652 6.609 -7.893 838 HD12 ILE 102 1HD1 ILE 102 -5.892 5.310 -6.721 839 HD13 ILE 102 2HD1 ILE 102 -7.029 6.655 -6.757 840 H GLU 103 H GLU 103 -1.238 7.143 -7.934 841 HA GLU 103 HA GLU 103 0.847 5.692 -6.688 842 HB2 GLU 103 1HB GLU 103 0.405 6.993 -9.337 843 HB3 GLU 103 2HB GLU 103 2.081 6.700 -8.922 844 HG2 GLU 103 1HG GLU 103 1.736 4.361 -8.602 845 HG3 GLU 103 2HG GLU 103 -0.007 4.525 -8.661 846 H SER 104 H SER 104 0.790 9.195 -7.661 847 HA SER 104 HA SER 104 3.339 9.736 -6.365 848 HB2 SER 104 1HB SER 104 1.226 11.684 -7.348 849 HB3 SER 104 2HB SER 104 2.861 12.076 -6.844 850 HG SER 104 HG SER 104 2.452 11.751 -9.199 851 H ASP 105 H ASP 105 -0.072 9.902 -5.245 852 HA ASP 105 HA ASP 105 0.385 11.549 -2.993 853 HB2 ASP 105 1HB ASP 105 -1.690 9.654 -3.819 854 HB3 ASP 105 2HB ASP 105 -1.403 9.529 -2.110 855 H LEU 106 H LEU 106 1.440 8.257 -3.501 856 HA LEU 106 HA LEU 106 1.975 7.463 -0.833 857 HB2 LEU 106 1HB LEU 106 3.647 6.919 -3.322 858 HB3 LEU 106 2HB LEU 106 3.713 6.005 -1.826 859 HG LEU 106 HG LEU 106 1.299 6.202 -3.663 860 HD11 LEU 106 1HD1 LEU 106 1.774 3.946 -4.328 861 HD12 LEU 106 2HD1 LEU 106 3.124 3.848 -3.171 862 HD13 LEU 106 3HD1 LEU 106 3.233 4.915 -4.581 863 HD21 LEU 106 3HD2 LEU 106 1.311 5.506 -0.911 864 HD22 LEU 106 1HD2 LEU 106 1.264 3.982 -1.767 865 HD23 LEU 106 2HD2 LEU 106 0.040 5.233 -2.082 866 H LYS 107 H LYS 107 3.753 9.701 -2.888 867 HA LYS 107 HA LYS 107 6.050 9.945 -1.185 868 HB2 LYS 107 1HB LYS 107 6.808 11.507 -2.681 869 HB3 LYS 107 2HB LYS 107 5.613 10.701 -3.682 870 HG2 LYS 107 1HG LYS 107 3.977 12.554 -2.946 871 HG3 LYS 107 2HG LYS 107 5.364 13.393 -2.270 872 HD2 LYS 107 1HD LYS 107 6.137 14.053 -4.307 873 HD3 LYS 107 2HD LYS 107 5.819 12.481 -5.060 874 HE2 LYS 107 1HE LYS 107 3.384 13.011 -5.082 875 HE3 LYS 107 2HE LYS 107 3.747 14.635 -4.482 876 HZ1 LYS 107 3HZ LYS 107 4.766 13.512 -7.049 877 HZ2 LYS 107 1HZ LYS 107 5.071 15.016 -6.497 878 HZ3 LYS 107 2HZ LYS 107 3.554 14.601 -6.924 879 H LYS 108 H LYS 108 2.922 11.404 -1.047 880 HA LYS 108 HA LYS 108 3.603 13.250 1.189 881 HB2 LYS 108 1HB LYS 108 1.358 12.944 -0.776 882 HB3 LYS 108 2HB LYS 108 0.821 13.268 0.854 883 HG2 LYS 108 1HG LYS 108 1.192 15.431 0.545 884 HG3 LYS 108 2HG LYS 108 2.911 15.117 0.528 885 HD2 LYS 108 1HD LYS 108 2.563 16.324 -1.416 886 HD3 LYS 108 2HD LYS 108 2.639 14.661 -2.023 887 HE2 LYS 108 1HE LYS 108 0.185 14.563 -2.169 888 HE3 LYS 108 2HE LYS 108 0.040 16.084 -1.282 889 HZ1 LYS 108 3HZ LYS 108 1.080 15.772 -4.040 890 HZ2 LYS 108 1HZ LYS 108 1.221 17.163 -3.187 891 HZ3 LYS 108 2HZ LYS 108 -0.253 16.585 -3.568 892 H ILE 109 H ILE 109 2.141 10.118 0.719 893 HA ILE 109 HA ILE 109 1.103 9.900 3.442 894 HB ILE 109 HB ILE 109 1.675 7.745 1.401 895 HG12 ILE 109 1HG1 ILE 109 -1.068 8.838 2.235 896 HG13 ILE 109 2HG1 ILE 109 -0.205 9.606 0.932 897 HG21 ILE 109 1HG2 ILE 109 1.567 6.943 3.790 898 HG22 ILE 109 2HG2 ILE 109 -0.051 7.639 3.904 899 HG23 ILE 109 3HG2 ILE 109 0.306 6.320 2.754 900 HD11 ILE 109 3HD1 ILE 109 -0.942 6.653 0.895 901 HD12 ILE 109 1HD1 ILE 109 -1.898 7.955 0.171 902 HD13 ILE 109 2HD1 ILE 109 -0.269 7.616 -0.435 903 H PHE 110 H PHE 110 3.812 8.121 1.852 904 HA PHE 110 HA PHE 110 4.923 7.361 4.441 905 HB2 PHE 110 1HB PHE 110 6.066 6.803 1.708 906 HB3 PHE 110 2HB PHE 110 6.287 5.873 3.177 907 HD1 PHE 110 HD1 PHE 110 3.437 5.499 4.073 908 HD2 PHE 110 HD2 PHE 110 5.183 5.301 0.138 909 HE1 PHE 110 HE1 PHE 110 1.564 4.089 3.267 910 HE2 PHE 110 HE2 PHE 110 3.349 3.864 -0.616 911 HZ PHE 110 HZ PHE 110 1.483 3.302 0.934 912 H ASN 111 H ASN 111 5.208 10.169 2.835 913 HA ASN 111 HA ASN 111 6.650 11.899 2.628 914 HB2 ASN 111 1HB ASN 111 6.382 11.655 5.092 915 HB3 ASN 111 2HB ASN 111 7.930 10.813 5.148 916 HD21 ASN 111 2HD2 ASN 111 9.854 12.074 4.843 917 HD22 ASN 111 1HD2 ASN 111 9.790 13.837 4.874 918 H LEU 112 H LEU 112 7.250 10.431 0.737 919 HA LEU 112 HA LEU 112 10.087 9.504 0.695 920 HB2 LEU 112 1HB LEU 112 8.047 9.393 -1.547 921 HB3 LEU 112 2HB LEU 112 9.549 8.514 -1.450 922 HG LEU 112 HG LEU 112 7.367 8.054 0.593 923 HD11 LEU 112 1HD1 LEU 112 7.646 6.930 -2.206 924 HD12 LEU 112 2HD1 LEU 112 6.228 7.655 -1.429 925 HD13 LEU 112 3HD1 LEU 112 6.795 6.076 -0.912 926 HD21 LEU 112 3HD2 LEU 112 9.474 6.155 -0.480 927 HD22 LEU 112 1HD2 LEU 112 8.417 5.940 0.933 928 HD23 LEU 112 2HD2 LEU 112 9.714 7.144 0.978 929 H ALA 113 H ALA 113 8.071 11.984 -0.711 930 HA ALA 113 HA ALA 113 8.270 13.494 -2.375 931 HB1 ALA 113 3HB ALA 113 10.826 14.628 -1.515 932 HB2 ALA 113 1HB ALA 113 9.176 15.266 -1.403 933 HB3 ALA 113 2HB ALA 113 9.799 14.193 -0.147 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -25.280 -18.113 7.400 2 H2 GLY 1 2H GLY 1 -26.202 -17.070 6.537 3 H3 GLY 1 3H GLY 1 -25.414 -18.286 5.775 4 HA2 GLY 1 1HA GLY 1 -24.165 -16.353 5.317 5 HA3 GLY 1 2HA GLY 1 -24.257 -15.887 7.025 6 H SER 2 H SER 2 -22.011 -16.754 4.961 7 HA SER 2 HA SER 2 -20.291 -18.007 7.002 8 HB2 SER 2 1HB SER 2 -19.657 -19.911 5.557 9 HB3 SER 2 2HB SER 2 -21.332 -19.974 6.099 10 HG SER 2 HG SER 2 -20.957 -20.439 3.808 11 H HIS 3 H HIS 3 -20.131 -15.429 5.778 12 HA HIS 3 HA HIS 3 -18.094 -15.403 3.705 13 HB2 HIS 3 1HB HIS 3 -19.043 -13.282 5.676 14 HB3 HIS 3 2HB HIS 3 -17.773 -12.983 4.502 15 HD1 HIS 3 HD1 HIS 3 -20.620 -11.461 4.452 16 HD2 HIS 3 HD2 HIS 3 -19.313 -14.681 2.038 17 HE1 HIS 3 HE1 HIS 3 -21.966 -11.338 2.255 18 HE2 HIS 3 HE2 HIS 3 -21.167 -13.309 0.804 19 H MET 4 H MET 4 -15.986 -14.860 3.772 20 HA MET 4 HA MET 4 -14.428 -15.207 6.279 21 HB2 MET 4 1HB MET 4 -12.958 -16.805 5.269 22 HB3 MET 4 2HB MET 4 -14.603 -17.379 5.030 23 HG2 MET 4 1HG MET 4 -14.283 -15.996 2.706 24 HG3 MET 4 2HG MET 4 -12.598 -16.389 3.039 25 HE1 MET 4 3HE MET 4 -13.621 -18.853 0.168 26 HE2 MET 4 1HE MET 4 -14.305 -17.230 0.401 27 HE3 MET 4 2HE MET 4 -12.569 -17.510 0.666 28 H GLY 5 H GLY 5 -12.086 -14.603 5.890 29 HA2 GLY 5 1HA GLY 5 -10.590 -13.208 4.348 30 HA3 GLY 5 2HA GLY 5 -11.939 -12.070 4.291 31 H SER 6 H SER 6 -9.886 -10.847 5.055 32 HA SER 6 HA SER 6 -9.292 -10.942 7.920 33 HB2 SER 6 1HB SER 6 -8.586 -8.881 5.821 34 HB3 SER 6 2HB SER 6 -7.886 -8.985 7.444 35 HG SER 6 HG SER 6 -6.846 -9.892 5.465 36 H VAL 7 H VAL 7 -10.312 -8.093 6.006 37 HA VAL 7 HA VAL 7 -11.555 -6.844 8.329 38 HB VAL 7 HB VAL 7 -11.690 -5.859 5.465 39 HG11 VAL 7 1HG1 VAL 7 -13.152 -4.663 7.067 40 HG12 VAL 7 2HG1 VAL 7 -11.772 -4.431 8.164 41 HG13 VAL 7 3HG1 VAL 7 -11.810 -3.636 6.585 42 HG21 VAL 7 3HG2 VAL 7 -9.310 -6.201 5.929 43 HG22 VAL 7 1HG2 VAL 7 -9.675 -4.482 6.007 44 HG23 VAL 7 2HG2 VAL 7 -9.474 -5.402 7.511 45 H GLY 8 H GLY 8 -12.707 -8.502 5.457 46 HA2 GLY 8 1HA GLY 8 -14.881 -9.716 5.763 47 HA3 GLY 8 2HA GLY 8 -15.581 -8.188 6.288 48 H LEU 9 H LEU 9 -13.692 -7.019 3.971 49 HA LEU 9 HA LEU 9 -15.467 -7.657 1.669 50 HB2 LEU 9 1HB LEU 9 -15.109 -5.367 0.881 51 HB3 LEU 9 2HB LEU 9 -15.958 -5.402 2.407 52 HG LEU 9 HG LEU 9 -12.971 -5.097 2.524 53 HD11 LEU 9 1HD1 LEU 9 -13.185 -2.631 2.228 54 HD12 LEU 9 2HD1 LEU 9 -14.837 -2.880 1.633 55 HD13 LEU 9 3HD1 LEU 9 -13.461 -3.550 0.733 56 HD21 LEU 9 3HD2 LEU 9 -13.353 -3.899 4.470 57 HD22 LEU 9 1HD2 LEU 9 -14.662 -5.093 4.526 58 HD23 LEU 9 2HD2 LEU 9 -15.007 -3.443 4.001 59 H ARG 10 H ARG 10 -14.309 -6.826 -0.317 60 HA ARG 10 HA ARG 10 -11.662 -8.270 -0.562 61 HB2 ARG 10 1HB ARG 10 -14.211 -8.782 -1.782 62 HB3 ARG 10 2HB ARG 10 -13.180 -8.192 -3.065 63 HG2 ARG 10 1HG ARG 10 -12.311 -10.423 -1.179 64 HG3 ARG 10 2HG ARG 10 -13.302 -10.699 -2.607 65 HD2 ARG 10 1HD ARG 10 -11.219 -9.189 -3.662 66 HD3 ARG 10 2HD ARG 10 -10.388 -10.137 -2.434 67 HE ARG 10 HE ARG 10 -11.540 -11.060 -4.944 68 HH11 ARG 10 1HH1 ARG 10 -10.736 -12.259 -1.769 69 HH12 ARG 10 2HH1 ARG 10 -10.852 -13.928 -2.266 70 HH21 ARG 10 1HH2 ARG 10 -11.713 -13.181 -5.515 71 HH22 ARG 10 2HH2 ARG 10 -11.386 -14.425 -4.348 72 H GLU 11 H GLU 11 -13.611 -5.843 -2.202 73 HA GLU 11 HA GLU 11 -11.478 -3.893 -2.264 74 HB2 GLU 11 1HB GLU 11 -11.667 -5.735 -4.491 75 HB3 GLU 11 2HB GLU 11 -12.070 -4.125 -5.056 76 HG2 GLU 11 1HG GLU 11 -9.932 -3.228 -4.164 77 HG3 GLU 11 2HG GLU 11 -9.569 -4.771 -3.423 78 H ILE 12 H ILE 12 -14.636 -4.849 -3.705 79 HA ILE 12 HA ILE 12 -15.675 -2.517 -4.530 80 HB ILE 12 HB ILE 12 -16.834 -4.546 -4.805 81 HG12 ILE 12 1HG1 ILE 12 -19.142 -3.930 -4.385 82 HG13 ILE 12 2HG1 ILE 12 -18.674 -2.732 -3.186 83 HG21 ILE 12 1HG2 ILE 12 -17.315 -6.054 -3.221 84 HG22 ILE 12 2HG2 ILE 12 -16.464 -5.045 -2.041 85 HG23 ILE 12 3HG2 ILE 12 -18.201 -4.875 -2.240 86 HD11 ILE 12 3HD1 ILE 12 -17.667 -1.317 -4.900 87 HD12 ILE 12 1HD1 ILE 12 -17.884 -2.586 -6.129 88 HD13 ILE 12 2HD1 ILE 12 -19.293 -1.772 -5.413 89 H ILE 13 H ILE 13 -15.554 -0.595 -3.754 90 HA ILE 13 HA ILE 13 -16.844 0.168 -1.210 91 HB ILE 13 HB ILE 13 -14.870 1.550 -0.610 92 HG12 ILE 13 1HG1 ILE 13 -12.619 0.487 -1.515 93 HG13 ILE 13 2HG1 ILE 13 -13.577 0.186 -2.950 94 HG21 ILE 13 1HG2 ILE 13 -14.214 -1.380 -0.570 95 HG22 ILE 13 2HG2 ILE 13 -13.825 -0.147 0.616 96 HG23 ILE 13 3HG2 ILE 13 -15.491 -0.639 0.415 97 HD11 ILE 13 3HD1 ILE 13 -13.555 2.384 -3.584 98 HD12 ILE 13 1HD1 ILE 13 -13.701 2.961 -1.901 99 HD13 ILE 13 2HD1 ILE 13 -12.139 2.450 -2.500 100 H SER 14 H SER 14 -16.534 2.621 -0.907 101 HA SER 14 HA SER 14 -17.156 4.116 -3.410 102 HB2 SER 14 1HB SER 14 -18.892 5.307 -2.288 103 HB3 SER 14 2HB SER 14 -19.204 3.589 -2.008 104 HG SER 14 HG SER 14 -18.474 3.792 0.078 105 H GLU 15 H GLU 15 -17.114 6.573 -2.833 106 HA GLU 15 HA GLU 15 -14.521 7.444 -2.218 107 HB2 GLU 15 1HB GLU 15 -16.211 8.654 -3.490 108 HB3 GLU 15 2HB GLU 15 -17.184 8.897 -2.049 109 HG2 GLU 15 1HG GLU 15 -14.407 9.931 -1.776 110 HG3 GLU 15 2HG GLU 15 -15.268 10.621 -3.133 111 H GLU 16 H GLU 16 -17.075 6.671 0.100 112 HA GLU 16 HA GLU 16 -16.039 8.085 2.384 113 HB2 GLU 16 1HB GLU 16 -17.637 5.491 2.264 114 HB3 GLU 16 2HB GLU 16 -17.280 6.421 3.722 115 HG2 GLU 16 1HG GLU 16 -18.406 8.422 2.560 116 HG3 GLU 16 2HG GLU 16 -18.995 7.268 1.360 117 H ASP 17 H ASP 17 -15.570 4.591 1.525 118 HA ASP 17 HA ASP 17 -13.606 3.993 3.483 119 HB2 ASP 17 1HB ASP 17 -14.286 2.073 2.526 120 HB3 ASP 17 2HB ASP 17 -14.620 2.835 0.978 121 H VAL 18 H VAL 18 -13.289 5.421 0.221 122 HA VAL 18 HA VAL 18 -10.544 5.162 -0.076 123 HB VAL 18 HB VAL 18 -12.304 7.376 -1.105 124 HG11 VAL 18 1HG1 VAL 18 -10.104 7.204 -2.802 125 HG12 VAL 18 2HG1 VAL 18 -10.413 8.486 -1.597 126 HG13 VAL 18 3HG1 VAL 18 -9.370 7.128 -1.208 127 HG21 VAL 18 3HG2 VAL 18 -11.077 5.033 -2.599 128 HG22 VAL 18 1HG2 VAL 18 -12.649 4.930 -1.811 129 HG23 VAL 18 2HG2 VAL 18 -12.408 6.094 -3.105 130 H LYS 19 H LYS 19 -12.336 7.740 1.613 131 HA LYS 19 HA LYS 19 -10.040 9.267 2.486 132 HB2 LYS 19 1HB LYS 19 -12.727 9.134 3.900 133 HB3 LYS 19 2HB LYS 19 -11.549 10.437 3.904 134 HG2 LYS 19 1HG LYS 19 -12.146 10.169 1.162 135 HG3 LYS 19 2HG LYS 19 -13.671 9.756 1.959 136 HD2 LYS 19 1HD LYS 19 -13.731 12.086 1.487 137 HD3 LYS 19 2HD LYS 19 -13.520 11.906 3.236 138 HE2 LYS 19 1HE LYS 19 -10.892 11.942 2.349 139 HE3 LYS 19 2HE LYS 19 -11.654 12.954 1.125 140 HZ1 LYS 19 3HZ LYS 19 -11.830 13.405 4.061 141 HZ2 LYS 19 1HZ LYS 19 -12.501 14.370 2.924 142 HZ3 LYS 19 2HZ LYS 19 -10.876 14.250 3.044 143 H GLN 20 H GLN 20 -11.698 6.490 3.889 144 HA GLN 20 HA GLN 20 -10.284 6.520 6.434 145 HB2 GLN 20 1HB GLN 20 -12.414 5.464 6.327 146 HB3 GLN 20 2HB GLN 20 -11.901 4.339 5.068 147 HG2 GLN 20 1HG GLN 20 -10.371 3.202 6.545 148 HG3 GLN 20 2HG GLN 20 -10.554 4.442 7.795 149 HE21 GLN 20 2HE2 GLN 20 -11.004 1.504 8.033 150 HE22 GLN 20 1HE2 GLN 20 -12.676 1.395 8.578 151 H VAL 21 H VAL 21 -9.821 4.486 3.463 152 HA VAL 21 HA VAL 21 -7.518 3.136 4.440 153 HB VAL 21 HB VAL 21 -8.728 2.335 2.492 154 HG11 VAL 21 1HG1 VAL 21 -7.550 4.671 1.019 155 HG12 VAL 21 2HG1 VAL 21 -8.414 3.277 0.296 156 HG13 VAL 21 3HG1 VAL 21 -9.259 4.371 1.380 157 HG21 VAL 21 3HG2 VAL 21 -6.322 1.707 2.855 158 HG22 VAL 21 1HG2 VAL 21 -6.874 1.612 1.169 159 HG23 VAL 21 2HG2 VAL 21 -5.873 2.978 1.698 160 H TYR 22 H TYR 22 -7.712 6.284 2.794 161 HA TYR 22 HA TYR 22 -4.920 6.780 2.688 162 HB2 TYR 22 1HB TYR 22 -7.368 8.437 2.522 163 HB3 TYR 22 2HB TYR 22 -5.901 9.262 3.026 164 HD1 TYR 22 HD2 TYR 22 -7.204 7.002 0.311 165 HD2 TYR 22 HD1 TYR 22 -4.197 9.844 1.523 166 HE1 TYR 22 HE2 TYR 22 -6.522 7.323 -2.077 167 HE2 TYR 22 HE1 TYR 22 -3.463 10.072 -0.836 168 HH TYR 22 HH TYR 22 -4.132 9.751 -3.022 169 H SER 23 H SER 23 -7.093 6.940 5.451 170 HA SER 23 HA SER 23 -5.234 8.389 7.193 171 HB2 SER 23 1HB SER 23 -7.697 8.517 7.433 172 HB3 SER 23 2HB SER 23 -7.731 6.802 7.882 173 HG SER 23 HG SER 23 -7.687 8.110 9.729 174 H ILE 24 H ILE 24 -5.936 5.017 6.428 175 HA ILE 24 HA ILE 24 -4.646 3.808 8.708 176 HB ILE 24 HB ILE 24 -5.024 2.584 5.945 177 HG12 ILE 24 1HG1 ILE 24 -6.840 2.440 8.405 178 HG13 ILE 24 2HG1 ILE 24 -7.164 3.374 6.952 179 HG21 ILE 24 1HG2 ILE 24 -3.396 1.358 7.355 180 HG22 ILE 24 2HG2 ILE 24 -4.565 1.309 8.687 181 HG23 ILE 24 3HG2 ILE 24 -4.876 0.432 7.179 182 HD11 ILE 24 3HD1 ILE 24 -7.149 0.375 7.211 183 HD12 ILE 24 1HD1 ILE 24 -8.440 1.460 6.659 184 HD13 ILE 24 2HD1 ILE 24 -7.007 1.189 5.636 185 H LEU 25 H LEU 25 -3.404 4.352 5.335 186 HA LEU 25 HA LEU 25 -0.720 3.667 6.241 187 HB2 LEU 25 1HB LEU 25 -0.255 4.569 3.806 188 HB3 LEU 25 2HB LEU 25 -0.726 2.935 4.140 189 HG LEU 25 HG LEU 25 -3.033 3.454 3.420 190 HD11 LEU 25 1HD1 LEU 25 -1.823 6.204 2.957 191 HD12 LEU 25 2HD1 LEU 25 -3.245 5.781 3.899 192 HD13 LEU 25 3HD1 LEU 25 -3.277 5.635 2.126 193 HD21 LEU 25 3HD2 LEU 25 -0.874 4.326 1.448 194 HD22 LEU 25 1HD2 LEU 25 -2.492 3.712 1.045 195 HD23 LEU 25 2HD2 LEU 25 -1.308 2.646 1.818 196 H LYS 26 H LYS 26 -2.462 6.554 6.422 197 HA LYS 26 HA LYS 26 -0.502 8.516 5.944 198 HB2 LYS 26 1HB LYS 26 -3.118 8.492 6.903 199 HB3 LYS 26 2HB LYS 26 -2.241 8.999 8.316 200 HG2 LYS 26 1HG LYS 26 -2.928 10.970 7.147 201 HG3 LYS 26 2HG LYS 26 -1.185 10.815 6.948 202 HD2 LYS 26 1HD LYS 26 -1.891 9.583 4.656 203 HD3 LYS 26 2HD LYS 26 -3.430 10.362 4.932 204 HE2 LYS 26 1HE LYS 26 -1.986 11.628 3.399 205 HE3 LYS 26 2HE LYS 26 -2.415 12.578 4.820 206 HZ1 LYS 26 3HZ LYS 26 -0.252 12.472 5.614 207 HZ2 LYS 26 1HZ LYS 26 0.065 12.499 4.017 208 HZ3 LYS 26 2HZ LYS 26 0.130 11.091 4.842 209 H GLU 27 H GLU 27 -0.635 6.348 8.626 210 HA GLU 27 HA GLU 27 1.158 7.864 10.349 211 HB2 GLU 27 1HB GLU 27 -0.560 6.251 11.148 212 HB3 GLU 27 2HB GLU 27 0.383 4.917 10.471 213 HG2 GLU 27 1HG GLU 27 2.063 5.110 12.083 214 HG3 GLU 27 2HG GLU 27 1.794 6.833 12.319 215 H LYS 28 H LYS 28 3.282 7.562 10.776 216 HA LYS 28 HA LYS 28 4.911 6.130 8.726 217 HB2 LYS 28 1HB LYS 28 5.520 8.561 10.412 218 HB3 LYS 28 2HB LYS 28 6.623 7.807 9.266 219 HG2 LYS 28 1HG LYS 28 3.925 8.546 8.148 220 HG3 LYS 28 2HG LYS 28 4.891 9.890 8.689 221 HD2 LYS 28 1HD LYS 28 5.723 7.782 6.643 222 HD3 LYS 28 2HD LYS 28 5.192 9.416 6.289 223 HE2 LYS 28 1HE LYS 28 7.763 8.586 7.703 224 HE3 LYS 28 2HE LYS 28 7.598 9.340 6.127 225 HZ1 LYS 28 3HZ LYS 28 8.202 11.028 7.725 226 HZ2 LYS 28 1HZ LYS 28 7.031 10.605 8.762 227 HZ3 LYS 28 2HZ LYS 28 6.628 11.319 7.357 228 H ASP 29 H ASP 29 4.043 5.761 11.866 229 HA ASP 29 HA ASP 29 6.603 4.726 12.933 230 HB2 ASP 29 1HB ASP 29 3.858 5.008 14.210 231 HB3 ASP 29 2HB ASP 29 5.365 4.624 15.046 232 H ILE 30 H ILE 30 4.488 3.430 10.916 233 HA ILE 30 HA ILE 30 3.785 0.888 12.092 234 HB ILE 30 HB ILE 30 2.861 0.343 9.940 235 HG12 ILE 30 1HG1 ILE 30 3.037 2.296 8.151 236 HG13 ILE 30 2HG1 ILE 30 4.547 2.652 8.964 237 HG21 ILE 30 1HG2 ILE 30 1.523 1.781 11.347 238 HG22 ILE 30 2HG2 ILE 30 2.313 3.239 10.703 239 HG23 ILE 30 3HG2 ILE 30 1.304 2.255 9.658 240 HD11 ILE 30 3HD1 ILE 30 3.921 -0.175 8.003 241 HD12 ILE 30 1HD1 ILE 30 4.518 1.042 6.883 242 HD13 ILE 30 2HD1 ILE 30 5.513 0.582 8.245 243 H SER 31 H SER 31 6.719 1.969 10.872 244 HA SER 31 HA SER 31 7.775 0.099 9.148 245 HB2 SER 31 1HB SER 31 10.012 0.779 10.185 246 HB3 SER 31 2HB SER 31 8.995 2.049 9.490 247 HG SER 31 HG SER 31 9.922 2.523 11.614 248 H VAL 32 H VAL 32 7.555 -2.055 9.344 249 HA VAL 32 HA VAL 32 7.688 -3.407 11.849 250 HB VAL 32 HB VAL 32 6.409 -4.118 9.796 251 HG11 VAL 32 1HG1 VAL 32 8.216 -3.993 8.145 252 HG12 VAL 32 2HG1 VAL 32 9.033 -5.369 8.924 253 HG13 VAL 32 3HG1 VAL 32 7.432 -5.576 8.174 254 HG21 VAL 32 3HG2 VAL 32 6.991 -5.511 11.942 255 HG22 VAL 32 1HG2 VAL 32 6.221 -6.235 10.553 256 HG23 VAL 32 2HG2 VAL 32 7.974 -6.469 10.806 257 H ASP 33 H ASP 33 9.133 -5.147 12.483 258 HA ASP 33 HA ASP 33 11.870 -4.256 12.568 259 HB2 ASP 33 1HB ASP 33 10.498 -5.449 14.382 260 HB3 ASP 33 2HB ASP 33 10.750 -6.931 13.460 261 H SER 34 H SER 34 13.806 -5.334 11.779 262 HA SER 34 HA SER 34 13.480 -6.309 9.114 263 HB2 SER 34 1HB SER 34 15.767 -6.222 8.878 264 HB3 SER 34 2HB SER 34 15.446 -4.989 10.104 265 HG SER 34 HG SER 34 17.233 -6.613 10.442 266 H THR 35 H THR 35 14.202 -8.098 12.104 267 HA THR 35 HA THR 35 14.609 -10.675 10.891 268 HB THR 35 HB THR 35 13.543 -10.012 13.670 269 HG1 THR 35 HG1 THR 35 16.180 -10.474 12.705 270 HG21 THR 35 3HG2 THR 35 14.891 -12.530 12.589 271 HG22 THR 35 1HG2 THR 35 13.221 -12.392 13.188 272 HG23 THR 35 2HG2 THR 35 14.576 -12.188 14.305 273 H THR 36 H THR 36 11.681 -9.158 12.281 274 HA THR 36 HA THR 36 9.868 -11.270 11.541 275 HB THR 36 HB THR 36 9.306 -8.350 12.195 276 HG1 THR 36 HG1 THR 36 9.401 -10.698 13.796 277 HG21 THR 36 3HG2 THR 36 7.277 -9.143 11.353 278 HG22 THR 36 1HG2 THR 36 7.119 -9.429 13.087 279 HG23 THR 36 2HG2 THR 36 7.504 -10.786 12.001 280 H TRP 37 H TRP 37 11.030 -8.433 9.741 281 HA TRP 37 HA TRP 37 9.122 -8.194 7.816 282 HB2 TRP 37 1HB TRP 37 10.942 -6.673 7.868 283 HB3 TRP 37 2HB TRP 37 12.111 -7.947 7.504 284 HD1 TRP 37 HD1 TRP 37 13.062 -7.237 5.232 285 HE1 TRP 37 HE1 TRP 37 12.095 -6.886 2.869 286 HE3 TRP 37 HE3 TRP 37 8.074 -7.214 6.372 287 HZ2 TRP 37 HZ2 TRP 37 9.457 -6.831 1.629 288 HZ3 TRP 37 HZ3 TRP 37 6.394 -7.205 4.619 289 HH2 TRP 37 HH2 TRP 37 7.027 -6.992 2.239 290 H ASN 38 H ASN 38 11.690 -10.602 7.778 291 HA ASN 38 HA ASN 38 11.246 -11.846 5.284 292 HB2 ASN 38 1HB ASN 38 12.197 -12.892 7.989 293 HB3 ASN 38 2HB ASN 38 12.116 -13.931 6.568 294 HD21 ASN 38 2HD2 ASN 38 13.818 -11.034 7.930 295 HD22 ASN 38 1HD2 ASN 38 15.088 -11.165 6.732 296 H ARG 39 H ARG 39 9.436 -12.370 8.311 297 HA ARG 39 HA ARG 39 7.696 -14.462 7.112 298 HB2 ARG 39 1HB ARG 39 7.769 -13.167 9.873 299 HB3 ARG 39 2HB ARG 39 6.491 -14.255 9.340 300 HG2 ARG 39 1HG ARG 39 8.035 -15.543 10.604 301 HG3 ARG 39 2HG ARG 39 8.151 -16.050 8.914 302 HD2 ARG 39 1HD ARG 39 10.217 -14.824 8.624 303 HD3 ARG 39 2HD ARG 39 10.067 -14.087 10.240 304 HE ARG 39 HE ARG 39 10.076 -16.888 10.592 305 HH11 ARG 39 1HH1 ARG 39 12.349 -14.460 9.534 306 HH12 ARG 39 2HH1 ARG 39 13.732 -15.482 9.824 307 HH21 ARG 39 1HH2 ARG 39 11.875 -18.102 11.065 308 HH22 ARG 39 2HH2 ARG 39 13.459 -17.470 10.729 309 H ARG 40 H ARG 40 7.473 -11.074 8.077 310 HA ARG 40 HA ARG 40 4.723 -10.552 7.542 311 HB2 ARG 40 1HB ARG 40 7.213 -8.905 7.358 312 HB3 ARG 40 2HB ARG 40 5.669 -8.196 6.900 313 HG2 ARG 40 1HG ARG 40 6.053 -9.593 9.555 314 HG3 ARG 40 2HG ARG 40 6.523 -7.899 9.277 315 HD2 ARG 40 1HD ARG 40 4.427 -7.129 9.205 316 HD3 ARG 40 2HD ARG 40 3.775 -8.566 8.394 317 HE ARG 40 HE ARG 40 4.231 -9.567 10.850 318 HH11 ARG 40 1HH1 ARG 40 2.437 -6.754 9.812 319 HH12 ARG 40 2HH1 ARG 40 1.288 -6.901 11.119 320 HH21 ARG 40 1HH2 ARG 40 2.749 -9.718 12.458 321 HH22 ARG 40 2HH2 ARG 40 1.464 -8.555 12.579 322 H TYR 41 H TYR 41 7.452 -10.733 5.305 323 HA TYR 41 HA TYR 41 6.231 -9.868 2.953 324 HB2 TYR 41 1HB TYR 41 8.671 -10.718 3.483 325 HB3 TYR 41 2HB TYR 41 8.072 -12.269 2.916 326 HD1 TYR 41 HD2 TYR 41 6.635 -12.021 0.565 327 HD2 TYR 41 HD1 TYR 41 9.781 -9.416 1.933 328 HE1 TYR 41 HE2 TYR 41 6.873 -11.106 -1.730 329 HE2 TYR 41 HE1 TYR 41 10.039 -8.518 -0.396 330 HH TYR 41 HH TYR 41 9.492 -9.062 -2.698 331 H ARG 42 H ARG 42 6.041 -13.091 4.472 332 HA ARG 42 HA ARG 42 4.494 -14.412 2.428 333 HB2 ARG 42 1HB ARG 42 5.761 -15.596 4.272 334 HB3 ARG 42 2HB ARG 42 4.530 -15.047 5.405 335 HG2 ARG 42 1HG ARG 42 3.620 -17.085 4.946 336 HG3 ARG 42 2HG ARG 42 2.847 -16.192 3.655 337 HD2 ARG 42 1HD ARG 42 3.650 -18.108 2.598 338 HD3 ARG 42 2HD ARG 42 4.861 -16.879 2.180 339 HE ARG 42 HE ARG 42 5.622 -18.190 4.615 340 HH11 ARG 42 1HH1 ARG 42 5.484 -18.978 1.218 341 HH12 ARG 42 2HH1 ARG 42 6.677 -20.242 1.368 342 HH21 ARG 42 1HH2 ARG 42 7.106 -19.797 4.763 343 HH22 ARG 42 2HH2 ARG 42 7.573 -20.688 3.346 344 H GLU 43 H GLU 43 3.325 -13.127 5.589 345 HA GLU 43 HA GLU 43 0.566 -13.531 5.014 346 HB2 GLU 43 1HB GLU 43 0.105 -11.727 6.702 347 HB3 GLU 43 2HB GLU 43 1.079 -13.103 7.251 348 HG2 GLU 43 1HG GLU 43 3.117 -11.734 6.985 349 HG3 GLU 43 2HG GLU 43 2.118 -10.329 6.570 350 H TYR 44 H TYR 44 2.494 -10.540 4.474 351 HA TYR 44 HA TYR 44 0.408 -9.098 3.188 352 HB2 TYR 44 1HB TYR 44 3.413 -8.913 2.953 353 HB3 TYR 44 2HB TYR 44 2.293 -7.727 2.333 354 HD1 TYR 44 HD1 TYR 44 0.459 -8.237 5.093 355 HD2 TYR 44 HD2 TYR 44 4.455 -7.023 4.092 356 HE1 TYR 44 HE1 TYR 44 0.618 -7.026 7.254 357 HE2 TYR 44 HE2 TYR 44 4.687 -5.947 6.423 358 HH TYR 44 HH TYR 44 3.150 -4.853 8.030 359 H MET 45 H MET 45 2.730 -11.410 1.757 360 HA MET 45 HA MET 45 2.070 -11.015 -0.968 361 HB2 MET 45 1HB MET 45 3.386 -13.120 0.621 362 HB3 MET 45 2HB MET 45 2.424 -13.821 -0.637 363 HG2 MET 45 1HG MET 45 3.979 -11.578 -1.677 364 HG3 MET 45 2HG MET 45 5.000 -12.736 -0.842 365 HE1 MET 45 3HE MET 45 6.319 -13.120 -3.225 366 HE2 MET 45 1HE MET 45 5.426 -13.433 -4.729 367 HE3 MET 45 2HE MET 45 5.201 -11.893 -3.871 368 H GLU 46 H GLU 46 0.241 -12.718 1.521 369 HA GLU 46 HA GLU 46 -1.714 -13.860 -0.362 370 HB2 GLU 46 1HB GLU 46 -2.000 -13.584 2.644 371 HB3 GLU 46 2HB GLU 46 -2.897 -14.635 1.523 372 HG2 GLU 46 1HG GLU 46 -0.838 -15.872 1.004 373 HG3 GLU 46 2HG GLU 46 0.082 -14.812 2.058 374 H LYS 47 H LYS 47 -1.513 -11.024 1.776 375 HA LYS 47 HA LYS 47 -4.202 -10.136 1.442 376 HB2 LYS 47 1HB LYS 47 -1.615 -8.763 2.173 377 HB3 LYS 47 2HB LYS 47 -2.959 -7.759 1.669 378 HG2 LYS 47 1HG LYS 47 -2.993 -7.801 3.970 379 HG3 LYS 47 2HG LYS 47 -4.396 -8.718 3.405 380 HD2 LYS 47 1HD LYS 47 -3.476 -10.770 4.221 381 HD3 LYS 47 2HD LYS 47 -1.836 -10.118 4.136 382 HE2 LYS 47 1HE LYS 47 -1.951 -9.896 6.334 383 HE3 LYS 47 2HE LYS 47 -2.756 -8.387 5.934 384 HZ1 LYS 47 3HZ LYS 47 -4.646 -9.114 6.825 385 HZ2 LYS 47 1HZ LYS 47 -3.819 -10.391 7.474 386 HZ3 LYS 47 2HZ LYS 47 -4.629 -10.549 6.058 387 H ILE 48 H ILE 48 -1.660 -10.142 -0.864 388 HA ILE 48 HA ILE 48 -2.597 -8.051 -2.585 389 HB ILE 48 HB ILE 48 -1.045 -10.472 -3.528 390 HG12 ILE 48 1HG1 ILE 48 0.186 -9.861 -1.605 391 HG13 ILE 48 2HG1 ILE 48 1.020 -9.130 -2.959 392 HG21 ILE 48 1HG2 ILE 48 -1.664 -8.933 -5.309 393 HG22 ILE 48 2HG2 ILE 48 -1.116 -7.539 -4.354 394 HG23 ILE 48 3HG2 ILE 48 0.052 -8.728 -4.939 395 HD11 ILE 48 3HD1 ILE 48 1.022 -7.375 -1.478 396 HD12 ILE 48 1HD1 ILE 48 -0.453 -6.967 -2.347 397 HD13 ILE 48 2HD1 ILE 48 -0.573 -7.766 -0.779 398 H LYS 49 H LYS 49 -3.635 -11.328 -2.211 399 HA LYS 49 HA LYS 49 -5.588 -11.033 -4.487 400 HB2 LYS 49 1HB LYS 49 -5.273 -13.272 -5.088 401 HB3 LYS 49 2HB LYS 49 -3.652 -12.661 -4.768 402 HG2 LYS 49 1HG LYS 49 -4.180 -13.627 -2.309 403 HG3 LYS 49 2HG LYS 49 -5.341 -14.604 -3.200 404 HD2 LYS 49 1HD LYS 49 -3.485 -15.976 -3.119 405 HD3 LYS 49 2HD LYS 49 -3.253 -15.222 -4.700 406 HE2 LYS 49 1HE LYS 49 -2.101 -13.565 -2.559 407 HE3 LYS 49 2HE LYS 49 -1.539 -15.214 -2.365 408 HZ1 LYS 49 3HZ LYS 49 -0.648 -15.159 -4.598 409 HZ2 LYS 49 1HZ LYS 49 -0.106 -13.831 -3.811 410 HZ3 LYS 49 2HZ LYS 49 -1.304 -13.694 -4.916 411 H THR 50 H THR 50 -5.203 -11.846 -1.162 412 HA THR 50 HA THR 50 -8.107 -12.599 -0.891 413 HB THR 50 HB THR 50 -7.625 -13.721 1.111 414 HG1 THR 50 HG1 THR 50 -4.955 -12.788 0.953 415 HG21 THR 50 3HG2 THR 50 -5.130 -14.366 -0.469 416 HG22 THR 50 1HG2 THR 50 -6.752 -14.882 -1.011 417 HG23 THR 50 2HG2 THR 50 -6.098 -15.437 0.548 418 H GLY 51 H GLY 51 -5.758 -10.216 0.004 419 HA2 GLY 51 1HA GLY 51 -7.098 -9.212 2.366 420 HA3 GLY 51 2HA GLY 51 -5.731 -8.467 1.527 421 H SER 52 H SER 52 -7.889 -7.130 2.595 422 HA SER 52 HA SER 52 -9.697 -6.366 0.426 423 HB2 SER 52 1HB SER 52 -11.035 -5.685 2.026 424 HB3 SER 52 2HB SER 52 -9.958 -6.568 3.124 425 HG SER 52 HG SER 52 -10.490 -4.332 3.698 426 H VAL 53 H VAL 53 -10.130 -3.913 0.286 427 HA VAL 53 HA VAL 53 -8.050 -2.496 -0.995 428 HB VAL 53 HB VAL 53 -10.326 -1.930 -1.349 429 HG11 VAL 53 1HG1 VAL 53 -11.821 -1.036 0.287 430 HG12 VAL 53 2HG1 VAL 53 -11.214 -2.550 0.943 431 HG13 VAL 53 3HG1 VAL 53 -10.571 -1.011 1.536 432 HG21 VAL 53 3HG2 VAL 53 -9.230 0.455 0.195 433 HG22 VAL 53 1HG2 VAL 53 -8.636 -0.024 -1.417 434 HG23 VAL 53 2HG2 VAL 53 -10.329 0.460 -1.182 435 H PHE 54 H PHE 54 -9.123 -2.336 2.387 436 HA PHE 54 HA PHE 54 -7.323 -0.297 3.309 437 HB2 PHE 54 1HB PHE 54 -8.713 -2.582 4.771 438 HB3 PHE 54 2HB PHE 54 -7.904 -1.248 5.555 439 HD1 PHE 54 HD2 PHE 54 -8.778 1.175 4.299 440 HD2 PHE 54 HD1 PHE 54 -11.066 -2.398 4.948 441 HE1 PHE 54 HE2 PHE 54 -10.860 2.477 4.110 442 HE2 PHE 54 HE1 PHE 54 -13.163 -1.040 4.903 443 HZ PHE 54 HZ PHE 54 -13.040 1.416 4.482 444 H GLU 55 H GLU 55 -7.076 -3.822 3.069 445 HA GLU 55 HA GLU 55 -4.496 -3.970 4.413 446 HB2 GLU 55 1HB GLU 55 -5.834 -6.062 2.662 447 HB3 GLU 55 2HB GLU 55 -4.446 -6.248 3.726 448 HG2 GLU 55 1HG GLU 55 -6.129 -5.281 5.570 449 HG3 GLU 55 2HG GLU 55 -7.343 -5.912 4.448 450 H ILE 56 H ILE 56 -5.407 -4.150 0.909 451 HA ILE 56 HA ILE 56 -2.867 -4.435 -0.217 452 HB ILE 56 HB ILE 56 -5.287 -2.870 -1.137 453 HG12 ILE 56 1HG1 ILE 56 -5.432 -5.345 -0.995 454 HG13 ILE 56 2HG1 ILE 56 -5.721 -4.665 -2.595 455 HG21 ILE 56 1HG2 ILE 56 -4.299 -2.771 -3.391 456 HG22 ILE 56 2HG2 ILE 56 -3.489 -1.720 -2.243 457 HG23 ILE 56 3HG2 ILE 56 -2.720 -3.244 -2.714 458 HD11 ILE 56 3HD1 ILE 56 -3.183 -6.045 -1.641 459 HD12 ILE 56 1HD1 ILE 56 -4.423 -6.706 -2.728 460 HD13 ILE 56 2HD1 ILE 56 -3.414 -5.352 -3.260 461 H ALA 57 H ALA 57 -4.406 -1.394 0.746 462 HA ALA 57 HA ALA 57 -2.173 0.302 0.190 463 HB1 ALA 57 3HB ALA 57 -3.935 1.654 0.603 464 HB2 ALA 57 1HB ALA 57 -4.750 0.443 1.613 465 HB3 ALA 57 2HB ALA 57 -3.517 1.487 2.321 466 H GLU 58 H GLU 58 -2.979 -1.443 3.266 467 HA GLU 58 HA GLU 58 -0.709 -0.450 4.740 468 HB2 GLU 58 1HB GLU 58 -2.528 -2.851 5.044 469 HB3 GLU 58 2HB GLU 58 -1.064 -2.699 5.999 470 HG2 GLU 58 1HG GLU 58 -1.983 -0.275 6.499 471 HG3 GLU 58 2HG GLU 58 -3.525 -0.991 6.055 472 H VAL 59 H VAL 59 -1.069 -3.193 2.547 473 HA VAL 59 HA VAL 59 1.380 -4.520 3.149 474 HB VAL 59 HB VAL 59 -0.214 -4.454 0.551 475 HG11 VAL 59 1HG1 VAL 59 1.752 -5.341 -0.244 476 HG12 VAL 59 2HG1 VAL 59 2.327 -5.806 1.368 477 HG13 VAL 59 3HG1 VAL 59 1.147 -6.812 0.557 478 HG21 VAL 59 3HG2 VAL 59 -1.414 -6.212 1.266 479 HG22 VAL 59 1HG2 VAL 59 -0.146 -6.860 2.336 480 HG23 VAL 59 2HG2 VAL 59 -1.130 -5.516 2.870 481 H LEU 60 H LEU 60 0.705 -2.404 0.321 482 HA LEU 60 HA LEU 60 3.447 -2.170 -0.436 483 HB2 LEU 60 1HB LEU 60 2.529 -1.360 -2.211 484 HB3 LEU 60 2HB LEU 60 0.952 -1.356 -1.482 485 HG LEU 60 HG LEU 60 2.864 1.021 -1.270 486 HD11 LEU 60 1HD1 LEU 60 1.773 1.959 -3.149 487 HD12 LEU 60 2HD1 LEU 60 0.639 0.579 -3.264 488 HD13 LEU 60 3HD1 LEU 60 2.363 0.364 -3.595 489 HD21 LEU 60 3HD2 LEU 60 -0.090 0.568 -0.718 490 HD22 LEU 60 1HD2 LEU 60 0.552 2.192 -1.050 491 HD23 LEU 60 2HD2 LEU 60 1.105 1.316 0.340 492 H ARG 61 H ARG 61 1.551 -0.297 1.845 493 HA ARG 61 HA ARG 61 3.361 1.851 2.362 494 HB2 ARG 61 1HB ARG 61 1.081 1.898 3.163 495 HB3 ARG 61 2HB ARG 61 1.300 0.395 4.034 496 HG2 ARG 61 1HG ARG 61 3.123 1.787 5.397 497 HG3 ARG 61 2HG ARG 61 2.205 3.154 4.824 498 HD2 ARG 61 1HD ARG 61 1.251 2.639 6.862 499 HD3 ARG 61 2HD ARG 61 0.148 1.857 5.707 500 HE ARG 61 HE ARG 61 2.054 -0.094 6.392 501 HH11 ARG 61 1HH1 ARG 61 -0.542 1.634 8.024 502 HH12 ARG 61 2HH1 ARG 61 -1.027 0.156 8.828 503 HH21 ARG 61 1HH2 ARG 61 1.634 -1.736 7.877 504 HH22 ARG 61 2HH2 ARG 61 0.289 -1.508 8.967 505 H ASP 62 H ASP 62 3.050 -1.298 4.069 506 HA ASP 62 HA ASP 62 5.243 -0.855 5.815 507 HB2 ASP 62 1HB ASP 62 3.466 -3.007 5.288 508 HB3 ASP 62 2HB ASP 62 5.077 -3.665 5.046 509 H LEU 63 H LEU 63 5.220 -2.452 2.635 510 HA LEU 63 HA LEU 63 7.982 -2.958 2.292 511 HB2 LEU 63 1HB LEU 63 5.747 -2.285 0.385 512 HB3 LEU 63 2HB LEU 63 7.372 -2.607 -0.189 513 HG LEU 63 HG LEU 63 6.219 -4.658 1.688 514 HD11 LEU 63 1HD1 LEU 63 5.284 -5.700 -0.591 515 HD12 LEU 63 2HD1 LEU 63 5.034 -3.997 -0.996 516 HD13 LEU 63 3HD1 LEU 63 4.295 -4.699 0.462 517 HD21 LEU 63 3HD2 LEU 63 8.471 -4.853 0.705 518 HD22 LEU 63 1HD2 LEU 63 7.762 -4.791 -0.924 519 HD23 LEU 63 2HD2 LEU 63 7.417 -6.163 0.139 520 H TYR 64 H TYR 64 6.226 0.112 1.572 521 HA TYR 64 HA TYR 64 8.535 1.511 0.599 522 HB2 TYR 64 1HB TYR 64 5.750 2.191 1.392 523 HB3 TYR 64 2HB TYR 64 6.900 3.483 1.635 524 HD1 TYR 64 HD1 TYR 64 8.501 4.099 -0.294 525 HD2 TYR 64 HD2 TYR 64 4.884 1.823 -0.802 526 HE1 TYR 64 HE1 TYR 64 8.383 4.778 -2.692 527 HE2 TYR 64 HE2 TYR 64 4.797 2.484 -3.191 528 HH TYR 64 HH TYR 64 7.130 4.854 -4.557 529 H LEU 65 H LEU 65 7.059 1.571 3.891 530 HA LEU 65 HA LEU 65 9.112 3.375 4.893 531 HB2 LEU 65 1HB LEU 65 7.055 1.666 6.337 532 HB3 LEU 65 2HB LEU 65 8.259 2.664 7.141 533 HG LEU 65 HG LEU 65 7.315 4.643 5.652 534 HD11 LEU 65 1HD1 LEU 65 5.810 3.507 4.205 535 HD12 LEU 65 2HD1 LEU 65 4.835 4.417 5.366 536 HD13 LEU 65 3HD1 LEU 65 5.053 2.678 5.577 537 HD21 LEU 65 3HD2 LEU 65 5.241 4.387 7.550 538 HD22 LEU 65 1HD2 LEU 65 6.799 5.227 7.725 539 HD23 LEU 65 2HD2 LEU 65 6.618 3.558 8.273 540 H LEU 66 H LEU 66 8.939 -0.108 4.643 541 HA LEU 66 HA LEU 66 11.025 -0.897 6.381 542 HB2 LEU 66 1HB LEU 66 9.742 -1.937 3.873 543 HB3 LEU 66 2HB LEU 66 11.261 -2.668 4.319 544 HG LEU 66 HG LEU 66 9.024 -2.378 6.372 545 HD11 LEU 66 1HD1 LEU 66 8.061 -3.550 4.445 546 HD12 LEU 66 2HD1 LEU 66 8.326 -4.647 5.778 547 HD13 LEU 66 3HD1 LEU 66 9.451 -4.619 4.382 548 HD21 LEU 66 3HD2 LEU 66 10.250 -4.565 7.117 549 HD22 LEU 66 1HD2 LEU 66 11.053 -3.020 7.418 550 HD23 LEU 66 2HD2 LEU 66 11.552 -4.051 6.055 551 H LYS 67 H LYS 67 11.218 0.515 3.142 552 HA LYS 67 HA LYS 67 14.195 0.364 3.153 553 HB2 LYS 67 1HB LYS 67 12.542 0.087 1.087 554 HB3 LYS 67 2HB LYS 67 12.540 1.854 1.104 555 HG2 LYS 67 1HG LYS 67 14.298 1.345 -0.364 556 HG3 LYS 67 2HG LYS 67 15.137 1.650 1.149 557 HD2 LYS 67 1HD LYS 67 14.625 -1.084 1.314 558 HD3 LYS 67 2HD LYS 67 14.840 -0.860 -0.413 559 HE2 LYS 67 1HE LYS 67 16.785 -0.109 1.800 560 HE3 LYS 67 2HE LYS 67 16.933 -1.484 0.703 561 HZ1 LYS 67 3HZ LYS 67 17.018 1.375 -0.123 562 HZ2 LYS 67 1HZ LYS 67 17.160 0.105 -1.146 563 HZ3 LYS 67 2HZ LYS 67 18.309 0.381 -0.019 564 H GLY 68 H GLY 68 11.635 2.748 3.601 565 HA2 GLY 68 1HA GLY 68 11.706 4.864 4.593 566 HA3 GLY 68 2HA GLY 68 13.435 4.676 4.869 567 H ASP 69 H ASP 69 12.254 4.244 1.596 568 HA ASP 69 HA ASP 69 12.650 6.986 0.745 569 HB2 ASP 69 1HB ASP 69 14.511 6.598 -0.766 570 HB3 ASP 69 2HB ASP 69 14.987 6.280 0.890 571 H LYS 70 H LYS 70 12.664 6.990 -1.823 572 HA LYS 70 HA LYS 70 10.148 5.781 -2.618 573 HB2 LYS 70 1HB LYS 70 10.399 7.080 -4.668 574 HB3 LYS 70 2HB LYS 70 10.569 8.056 -3.233 575 HG2 LYS 70 1HG LYS 70 13.232 7.201 -4.022 576 HG3 LYS 70 2HG LYS 70 12.370 7.735 -5.450 577 HD2 LYS 70 1HD LYS 70 13.518 9.615 -4.630 578 HD3 LYS 70 2HD LYS 70 11.816 9.897 -4.222 579 HE2 LYS 70 1HE LYS 70 12.181 9.366 -1.917 580 HE3 LYS 70 2HE LYS 70 13.796 8.695 -2.239 581 HZ1 LYS 70 3HZ LYS 70 14.672 10.818 -2.542 582 HZ2 LYS 70 1HZ LYS 70 13.608 11.081 -1.326 583 HZ3 LYS 70 2HZ LYS 70 13.221 11.521 -2.841 584 H ASP 71 H ASP 71 13.481 5.047 -3.317 585 HA ASP 71 HA ASP 71 12.789 3.210 -5.559 586 HB2 ASP 71 1HB ASP 71 15.130 4.932 -4.885 587 HB3 ASP 71 2HB ASP 71 15.530 3.342 -5.502 588 H LEU 72 H LEU 72 11.844 1.712 -4.093 589 HA LEU 72 HA LEU 72 13.250 0.424 -2.003 590 HB2 LEU 72 1HB LEU 72 11.119 -0.925 -3.672 591 HB3 LEU 72 2HB LEU 72 11.563 -1.246 -1.998 592 HG LEU 72 HG LEU 72 10.047 1.133 -3.114 593 HD11 LEU 72 1HD1 LEU 72 8.912 -1.075 -2.533 594 HD12 LEU 72 2HD1 LEU 72 8.297 0.358 -1.664 595 HD13 LEU 72 3HD1 LEU 72 9.378 -0.815 -0.871 596 HD21 LEU 72 3HD2 LEU 72 9.943 2.145 -0.953 597 HD22 LEU 72 1HD2 LEU 72 11.650 1.947 -1.299 598 HD23 LEU 72 2HD2 LEU 72 10.831 0.814 -0.196 599 H SER 73 H SER 73 13.943 -1.799 -1.843 600 HA SER 73 HA SER 73 16.042 -2.503 -3.722 601 HB2 SER 73 1HB SER 73 16.188 -3.089 -1.344 602 HB3 SER 73 2HB SER 73 14.708 -4.062 -1.466 603 HG SER 73 HG SER 73 16.630 -5.335 -1.594 604 H PHE 74 H PHE 74 16.126 -4.359 -5.093 605 HA PHE 74 HA PHE 74 13.904 -4.954 -6.733 606 HB2 PHE 74 1HB PHE 74 16.187 -5.397 -7.424 607 HB3 PHE 74 2HB PHE 74 16.408 -6.560 -6.120 608 HD1 PHE 74 HD2 PHE 74 14.117 -5.936 -9.063 609 HD2 PHE 74 HD1 PHE 74 16.162 -8.850 -6.620 610 HE1 PHE 74 HE2 PHE 74 13.276 -7.759 -10.525 611 HE2 PHE 74 HE1 PHE 74 15.327 -10.664 -8.091 612 HZ PHE 74 HZ PHE 74 13.879 -10.123 -10.043 613 H GLY 75 H GLY 75 14.994 -6.610 -3.782 614 HA2 GLY 75 1HA GLY 75 13.257 -8.858 -3.793 615 HA3 GLY 75 2HA GLY 75 13.923 -8.094 -2.346 616 H GLU 76 H GLU 76 12.736 -5.674 -2.232 617 HA GLU 76 HA GLU 76 10.002 -6.241 -1.359 618 HB2 GLU 76 1HB GLU 76 11.648 -3.703 -1.621 619 HB3 GLU 76 2HB GLU 76 10.025 -3.725 -0.937 620 HG2 GLU 76 1HG GLU 76 10.693 -4.657 1.045 621 HG3 GLU 76 2HG GLU 76 11.859 -5.726 0.289 622 H ARG 77 H ARG 77 11.433 -4.462 -4.084 623 HA ARG 77 HA ARG 77 9.172 -3.322 -5.264 624 HB2 ARG 77 1HB ARG 77 11.613 -3.003 -5.881 625 HB3 ARG 77 2HB ARG 77 11.528 -4.540 -6.732 626 HG2 ARG 77 1HG ARG 77 11.313 -2.954 -8.390 627 HG3 ARG 77 2HG ARG 77 9.653 -3.481 -8.164 628 HD2 ARG 77 1HD ARG 77 8.970 -1.397 -7.438 629 HD3 ARG 77 2HD ARG 77 10.417 -1.159 -6.465 630 HE ARG 77 HE ARG 77 11.406 0.010 -8.162 631 HH11 ARG 77 1HH1 ARG 77 8.792 -1.733 -9.699 632 HH12 ARG 77 2HH1 ARG 77 9.176 -1.092 -11.273 633 HH21 ARG 77 1HH2 ARG 77 11.853 0.775 -10.179 634 HH22 ARG 77 2HH2 ARG 77 10.863 0.297 -11.524 635 H LYS 78 H LYS 78 10.210 -6.664 -5.489 636 HA LYS 78 HA LYS 78 8.578 -7.669 -7.563 637 HB2 LYS 78 1HB LYS 78 9.502 -8.924 -4.960 638 HB3 LYS 78 2HB LYS 78 8.660 -9.844 -6.185 639 HG2 LYS 78 1HG LYS 78 10.976 -8.256 -7.212 640 HG3 LYS 78 2HG LYS 78 11.411 -9.472 -6.024 641 HD2 LYS 78 1HD LYS 78 9.550 -10.491 -8.107 642 HD3 LYS 78 2HD LYS 78 11.047 -9.851 -8.772 643 HE2 LYS 78 1HE LYS 78 12.352 -11.480 -7.927 644 HE3 LYS 78 2HE LYS 78 11.499 -11.541 -6.385 645 HZ1 LYS 78 3HZ LYS 78 11.240 -13.581 -7.751 646 HZ2 LYS 78 1HZ LYS 78 10.409 -12.735 -8.874 647 HZ3 LYS 78 2HZ LYS 78 9.809 -12.906 -7.361 648 H MET 79 H MET 79 7.634 -7.661 -4.092 649 HA MET 79 HA MET 79 4.845 -8.329 -4.782 650 HB2 MET 79 1HB MET 79 6.009 -9.105 -2.688 651 HB3 MET 79 2HB MET 79 5.925 -7.440 -2.095 652 HG2 MET 79 1HG MET 79 3.294 -8.009 -2.885 653 HG3 MET 79 2HG MET 79 3.864 -9.561 -2.320 654 HE1 MET 79 3HE MET 79 4.916 -9.822 0.322 655 HE2 MET 79 1HE MET 79 5.970 -8.421 -0.003 656 HE3 MET 79 2HE MET 79 4.943 -8.433 1.434 657 H LEU 80 H LEU 80 6.642 -5.416 -3.788 658 HA LEU 80 HA LEU 80 4.509 -3.625 -3.400 659 HB2 LEU 80 1HB LEU 80 6.955 -3.172 -2.981 660 HB3 LEU 80 2HB LEU 80 7.176 -3.112 -4.726 661 HG LEU 80 HG LEU 80 5.204 -1.247 -4.499 662 HD11 LEU 80 1HD1 LEU 80 4.904 -1.370 -2.161 663 HD12 LEU 80 2HD1 LEU 80 5.708 0.157 -2.529 664 HD13 LEU 80 3HD1 LEU 80 6.629 -1.189 -1.847 665 HD21 LEU 80 3HD2 LEU 80 7.199 0.431 -4.295 666 HD22 LEU 80 1HD2 LEU 80 6.991 -0.613 -5.725 667 HD23 LEU 80 2HD2 LEU 80 8.179 -1.031 -4.505 668 H ASP 81 H ASP 81 6.162 -4.389 -6.528 669 HA ASP 81 HA ASP 81 4.739 -2.684 -8.232 670 HB2 ASP 81 1HB ASP 81 6.690 -4.010 -8.879 671 HB3 ASP 81 2HB ASP 81 5.773 -5.507 -8.695 672 H THR 82 H THR 82 3.724 -5.864 -6.989 673 HA THR 82 HA THR 82 1.258 -5.999 -8.486 674 HB THR 82 HB THR 82 1.625 -7.429 -5.857 675 HG1 THR 82 HG1 THR 82 2.888 -8.957 -6.845 676 HG21 THR 82 3HG2 THR 82 0.520 -9.244 -7.132 677 HG22 THR 82 1HG2 THR 82 0.602 -8.280 -8.615 678 HG23 THR 82 2HG2 THR 82 -0.431 -7.750 -7.272 679 H ALA 83 H ALA 83 1.984 -5.194 -5.040 680 HA ALA 83 HA ALA 83 -0.687 -4.429 -4.374 681 HB1 ALA 83 3HB ALA 83 1.892 -3.526 -3.051 682 HB2 ALA 83 1HB ALA 83 0.253 -3.561 -2.342 683 HB3 ALA 83 2HB ALA 83 1.074 -5.074 -2.747 684 H ARG 84 H ARG 84 1.872 -2.548 -5.891 685 HA ARG 84 HA ARG 84 0.783 0.114 -5.689 686 HB2 ARG 84 1HB ARG 84 2.639 -1.271 -7.655 687 HB3 ARG 84 2HB ARG 84 2.108 0.376 -7.956 688 HG2 ARG 84 1HG ARG 84 3.330 -0.424 -5.320 689 HG3 ARG 84 2HG ARG 84 4.345 -0.041 -6.702 690 HD2 ARG 84 1HD ARG 84 2.142 1.890 -5.917 691 HD3 ARG 84 2HD ARG 84 3.580 1.830 -4.936 692 HE ARG 84 HE ARG 84 3.317 3.049 -7.532 693 HH11 ARG 84 1HH1 ARG 84 5.713 1.448 -5.585 694 HH12 ARG 84 2HH1 ARG 84 7.030 2.304 -6.322 695 HH21 ARG 84 1HH2 ARG 84 5.056 4.103 -8.463 696 HH22 ARG 84 2HH2 ARG 84 6.665 3.696 -7.950 697 H SER 85 H SER 85 0.588 -2.244 -8.346 698 HA SER 85 HA SER 85 -1.277 -0.826 -9.948 699 HB2 SER 85 1HB SER 85 0.221 -2.874 -10.504 700 HB3 SER 85 2HB SER 85 -1.141 -3.845 -9.917 701 HG SER 85 HG SER 85 -2.453 -2.608 -11.462 702 H LEU 86 H LEU 86 -1.811 -2.759 -7.110 703 HA LEU 86 HA LEU 86 -4.743 -2.806 -7.436 704 HB2 LEU 86 1HB LEU 86 -2.846 -3.941 -5.359 705 HB3 LEU 86 2HB LEU 86 -4.600 -4.088 -5.241 706 HG LEU 86 HG LEU 86 -3.098 -5.101 -7.694 707 HD11 LEU 86 1HD1 LEU 86 -3.838 -6.641 -5.190 708 HD12 LEU 86 2HD1 LEU 86 -2.193 -6.166 -5.681 709 HD13 LEU 86 3HD1 LEU 86 -3.120 -7.307 -6.672 710 HD21 LEU 86 3HD2 LEU 86 -5.803 -5.723 -6.433 711 HD22 LEU 86 1HD2 LEU 86 -5.124 -6.564 -7.844 712 HD23 LEU 86 2HD2 LEU 86 -5.540 -4.844 -7.951 713 H LEU 87 H LEU 87 -2.367 -1.091 -5.436 714 HA LEU 87 HA LEU 87 -4.055 0.147 -3.561 715 HB2 LEU 87 1HB LEU 87 -1.628 0.363 -3.452 716 HB3 LEU 87 2HB LEU 87 -1.576 1.141 -5.031 717 HG LEU 87 HG LEU 87 -3.030 3.025 -3.963 718 HD11 LEU 87 1HD1 LEU 87 -3.569 1.830 -1.859 719 HD12 LEU 87 2HD1 LEU 87 -2.664 3.327 -1.549 720 HD13 LEU 87 3HD1 LEU 87 -1.840 1.762 -1.473 721 HD21 LEU 87 3HD2 LEU 87 -1.167 4.251 -3.367 722 HD22 LEU 87 1HD2 LEU 87 -0.655 3.193 -4.686 723 HD23 LEU 87 2HD2 LEU 87 -0.218 2.811 -3.008 724 H ILE 88 H ILE 88 -2.979 1.503 -6.686 725 HA ILE 88 HA ILE 88 -4.927 3.581 -6.566 726 HB ILE 88 HB ILE 88 -4.223 4.423 -8.531 727 HG12 ILE 88 1HG1 ILE 88 -4.648 2.514 -10.040 728 HG13 ILE 88 2HG1 ILE 88 -3.121 3.323 -10.370 729 HG21 ILE 88 1HG2 ILE 88 -2.397 4.278 -6.825 730 HG22 ILE 88 2HG2 ILE 88 -1.699 2.952 -7.739 731 HG23 ILE 88 3HG2 ILE 88 -1.906 4.552 -8.501 732 HD11 ILE 88 3HD1 ILE 88 -1.862 1.507 -9.443 733 HD12 ILE 88 1HD1 ILE 88 -3.338 0.754 -8.787 734 HD13 ILE 88 2HD1 ILE 88 -3.073 0.830 -10.539 735 H LYS 89 H LYS 89 -5.236 0.334 -7.608 736 HA LYS 89 HA LYS 89 -7.238 0.432 -9.597 737 HB2 LYS 89 1HB LYS 89 -5.981 -1.614 -8.674 738 HB3 LYS 89 2HB LYS 89 -7.154 -1.646 -7.368 739 HG2 LYS 89 1HG LYS 89 -8.145 -3.136 -8.766 740 HG3 LYS 89 2HG LYS 89 -8.936 -1.664 -9.318 741 HD2 LYS 89 1HD LYS 89 -8.257 -2.738 -11.310 742 HD3 LYS 89 2HD LYS 89 -7.005 -1.505 -11.064 743 HE2 LYS 89 1HE LYS 89 -5.625 -3.302 -9.874 744 HE3 LYS 89 2HE LYS 89 -6.860 -4.475 -10.347 745 HZ1 LYS 89 3HZ LYS 89 -5.038 -4.452 -11.938 746 HZ2 LYS 89 1HZ LYS 89 -5.214 -2.851 -12.214 747 HZ3 LYS 89 2HZ LYS 89 -6.380 -3.899 -12.683 748 H GLU 90 H GLU 90 -7.712 0.055 -6.105 749 HA GLU 90 HA GLU 90 -10.571 0.516 -6.394 750 HB2 GLU 90 1HB GLU 90 -9.015 -0.924 -4.603 751 HB3 GLU 90 2HB GLU 90 -9.455 0.497 -3.653 752 HG2 GLU 90 1HG GLU 90 -11.088 -1.328 -3.456 753 HG3 GLU 90 2HG GLU 90 -11.776 0.169 -4.108 754 H LEU 91 H LEU 91 -7.876 2.359 -5.061 755 HA LEU 91 HA LEU 91 -9.398 4.604 -4.160 756 HB2 LEU 91 1HB LEU 91 -6.496 4.254 -5.047 757 HB3 LEU 91 2HB LEU 91 -7.135 5.749 -4.371 758 HG LEU 91 HG LEU 91 -7.165 3.059 -2.909 759 HD11 LEU 91 1HD1 LEU 91 -5.373 5.498 -2.636 760 HD12 LEU 91 2HD1 LEU 91 -4.900 3.854 -3.115 761 HD13 LEU 91 3HD1 LEU 91 -5.449 4.157 -1.468 762 HD21 LEU 91 3HD2 LEU 91 -7.502 4.989 -1.055 763 HD22 LEU 91 1HD2 LEU 91 -8.875 4.237 -1.901 764 HD23 LEU 91 2HD2 LEU 91 -8.221 5.808 -2.417 765 H SER 92 H SER 92 -8.522 3.650 -7.330 766 HA SER 92 HA SER 92 -8.573 5.785 -8.982 767 HB2 SER 92 1HB SER 92 -8.462 3.422 -9.730 768 HB3 SER 92 2HB SER 92 -10.190 3.246 -9.383 769 HG SER 92 HG SER 92 -9.933 3.648 -11.552 770 H LEU 93 H LEU 93 -11.376 4.520 -7.305 771 HA LEU 93 HA LEU 93 -13.452 5.846 -8.599 772 HB2 LEU 93 1HB LEU 93 -13.074 4.301 -6.195 773 HB3 LEU 93 2HB LEU 93 -14.074 5.674 -5.789 774 HG LEU 93 HG LEU 93 -15.493 3.889 -6.343 775 HD11 LEU 93 1HD1 LEU 93 -15.951 6.254 -7.238 776 HD12 LEU 93 2HD1 LEU 93 -16.914 4.914 -7.917 777 HD13 LEU 93 3HD1 LEU 93 -15.573 5.604 -8.845 778 HD21 LEU 93 3HD2 LEU 93 -15.480 2.644 -8.409 779 HD22 LEU 93 1HD2 LEU 93 -13.852 2.575 -7.716 780 HD23 LEU 93 2HD2 LEU 93 -14.184 3.650 -9.088 781 H ALA 94 H ALA 94 -12.237 6.915 -5.457 782 HA ALA 94 HA ALA 94 -13.251 9.604 -5.735 783 HB1 ALA 94 3HB ALA 94 -12.767 8.294 -3.561 784 HB2 ALA 94 1HB ALA 94 -11.072 8.809 -3.821 785 HB3 ALA 94 2HB ALA 94 -12.343 10.014 -3.594 786 H LYS 95 H LYS 95 -10.194 8.201 -6.719 787 HA LYS 95 HA LYS 95 -8.452 10.390 -6.834 788 HB2 LYS 95 1HB LYS 95 -7.191 8.856 -7.726 789 HB3 LYS 95 2HB LYS 95 -8.574 7.801 -7.991 790 HG2 LYS 95 1HG LYS 95 -8.907 8.868 -10.229 791 HG3 LYS 95 2HG LYS 95 -7.433 9.815 -9.942 792 HD2 LYS 95 1HD LYS 95 -6.210 8.129 -10.763 793 HD3 LYS 95 2HD LYS 95 -6.791 7.058 -9.501 794 HE2 LYS 95 1HE LYS 95 -8.823 6.585 -10.885 795 HE3 LYS 95 2HE LYS 95 -8.132 7.544 -12.187 796 HZ1 LYS 95 3HZ LYS 95 -6.750 5.183 -11.020 797 HZ2 LYS 95 1HZ LYS 95 -6.349 5.988 -12.403 798 HZ3 LYS 95 2HZ LYS 95 -7.723 5.100 -12.319 799 H ASP 96 H ASP 96 -11.019 9.606 -9.101 800 HA ASP 96 HA ASP 96 -11.920 10.645 -10.919 801 HB2 ASP 96 1HB ASP 96 -12.802 11.769 -8.831 802 HB3 ASP 96 2HB ASP 96 -11.718 13.112 -9.177 803 H CYS 97 H CYS 97 -9.069 10.477 -11.143 804 HA CYS 97 HA CYS 97 -8.349 12.457 -13.162 805 HB2 CYS 97 1HB CYS 97 -7.933 13.290 -10.614 806 HB3 CYS 97 2HB CYS 97 -6.453 12.349 -10.832 807 HG CYS 97 HG CYS 97 -7.761 14.760 -12.702 808 H SER 98 H SER 98 -5.602 12.054 -13.216 809 HA SER 98 HA SER 98 -5.256 9.416 -14.383 810 HB2 SER 98 1HB SER 98 -3.262 11.559 -13.514 811 HB3 SER 98 2HB SER 98 -2.828 10.118 -14.445 812 HG SER 98 HG SER 98 -4.154 10.828 -16.129 813 H GLU 99 H GLU 99 -3.780 7.713 -13.622 814 HA GLU 99 HA GLU 99 -4.036 6.898 -10.912 815 HB2 GLU 99 1HB GLU 99 -1.935 6.152 -12.982 816 HB3 GLU 99 2HB GLU 99 -2.078 5.381 -11.388 817 HG2 GLU 99 1HG GLU 99 -4.396 4.733 -11.886 818 HG3 GLU 99 2HG GLU 99 -4.287 5.458 -13.494 819 H ASP 100 H ASP 100 -1.674 8.996 -12.339 820 HA ASP 100 HA ASP 100 0.360 9.140 -10.453 821 HB2 ASP 100 1HB ASP 100 -0.447 10.571 -12.747 822 HB3 ASP 100 2HB ASP 100 -0.502 11.778 -11.478 823 H GLU 101 H GLU 101 -2.979 10.273 -10.017 824 HA GLU 101 HA GLU 101 -2.575 12.133 -7.877 825 HB2 GLU 101 1HB GLU 101 -4.725 11.963 -8.998 826 HB3 GLU 101 2HB GLU 101 -4.872 10.264 -8.606 827 HG2 GLU 101 1HG GLU 101 -5.703 10.607 -6.595 828 HG3 GLU 101 2HG GLU 101 -4.481 11.778 -6.134 829 H ILE 102 H ILE 102 -3.330 8.633 -7.779 830 HA ILE 102 HA ILE 102 -2.844 8.446 -4.894 831 HB ILE 102 HB ILE 102 -3.432 6.324 -6.912 832 HG12 ILE 102 1HG1 ILE 102 -5.492 7.112 -4.882 833 HG13 ILE 102 2HG1 ILE 102 -5.202 8.339 -6.093 834 HG21 ILE 102 1HG2 ILE 102 -3.485 6.276 -3.856 835 HG22 ILE 102 2HG2 ILE 102 -4.082 4.977 -4.918 836 HG23 ILE 102 3HG2 ILE 102 -2.369 5.386 -4.894 837 HD11 ILE 102 3HD1 ILE 102 -6.935 6.791 -6.833 838 HD12 ILE 102 1HD1 ILE 102 -5.499 6.746 -7.897 839 HD13 ILE 102 2HD1 ILE 102 -5.810 5.441 -6.755 840 H GLU 103 H GLU 103 -1.207 7.315 -7.879 841 HA GLU 103 HA GLU 103 0.889 5.828 -6.674 842 HB2 GLU 103 1HB GLU 103 0.376 7.077 -9.317 843 HB3 GLU 103 2HB GLU 103 2.077 6.923 -8.933 844 HG2 GLU 103 1HG GLU 103 2.008 4.594 -8.739 845 HG3 GLU 103 2HG GLU 103 0.274 4.549 -8.503 846 H SER 104 H SER 104 0.820 9.331 -7.589 847 HA SER 104 HA SER 104 3.408 9.818 -6.323 848 HB2 SER 104 1HB SER 104 1.431 11.956 -7.139 849 HB3 SER 104 2HB SER 104 3.168 12.086 -6.846 850 HG SER 104 HG SER 104 1.824 10.888 -8.985 851 H ASP 105 H ASP 105 0.002 10.055 -5.193 852 HA ASP 105 HA ASP 105 0.473 11.652 -2.912 853 HB2 ASP 105 1HB ASP 105 -1.538 9.561 -3.623 854 HB3 ASP 105 2HB ASP 105 -1.300 9.799 -1.917 855 H LEU 106 H LEU 106 1.520 8.366 -3.473 856 HA LEU 106 HA LEU 106 2.092 7.552 -0.828 857 HB2 LEU 106 1HB LEU 106 3.765 7.076 -3.337 858 HB3 LEU 106 2HB LEU 106 3.841 6.136 -1.856 859 HG LEU 106 HG LEU 106 1.454 6.333 -3.732 860 HD11 LEU 106 1HD1 LEU 106 3.391 5.012 -4.592 861 HD12 LEU 106 2HD1 LEU 106 1.913 4.064 -4.367 862 HD13 LEU 106 3HD1 LEU 106 3.228 3.957 -3.176 863 HD21 LEU 106 3HD2 LEU 106 1.272 4.119 -1.894 864 HD22 LEU 106 1HD2 LEU 106 0.149 5.476 -2.146 865 HD23 LEU 106 2HD2 LEU 106 1.439 5.592 -0.967 866 H LYS 107 H LYS 107 3.791 9.897 -2.828 867 HA LYS 107 HA LYS 107 6.077 10.162 -1.092 868 HB2 LYS 107 1HB LYS 107 6.823 11.766 -2.563 869 HB3 LYS 107 2HB LYS 107 5.685 10.924 -3.598 870 HG2 LYS 107 1HG LYS 107 3.965 12.720 -2.893 871 HG3 LYS 107 2HG LYS 107 5.303 13.593 -2.165 872 HD2 LYS 107 1HD LYS 107 6.065 14.354 -4.156 873 HD3 LYS 107 2HD LYS 107 5.917 12.769 -4.933 874 HE2 LYS 107 1HE LYS 107 3.443 13.112 -5.081 875 HE3 LYS 107 2HE LYS 107 3.647 14.750 -4.457 876 HZ1 LYS 107 3HZ LYS 107 4.924 13.745 -6.956 877 HZ2 LYS 107 1HZ LYS 107 5.008 15.275 -6.394 878 HZ3 LYS 107 2HZ LYS 107 3.585 14.679 -6.917 879 H LYS 108 H LYS 108 2.894 11.512 -0.973 880 HA LYS 108 HA LYS 108 3.521 13.431 1.214 881 HB2 LYS 108 1HB LYS 108 0.861 12.805 -0.160 882 HB3 LYS 108 2HB LYS 108 1.191 14.103 0.988 883 HG2 LYS 108 1HG LYS 108 3.115 14.681 -0.821 884 HG3 LYS 108 2HG LYS 108 1.992 13.860 -1.909 885 HD2 LYS 108 1HD LYS 108 1.216 16.159 -0.061 886 HD3 LYS 108 2HD LYS 108 1.810 16.392 -1.707 887 HE2 LYS 108 1HE LYS 108 -0.072 15.136 -2.635 888 HE3 LYS 108 2HE LYS 108 -0.678 14.768 -1.016 889 HZ1 LYS 108 3HZ LYS 108 -0.405 17.523 -2.110 890 HZ2 LYS 108 1HZ LYS 108 -1.059 17.132 -0.664 891 HZ3 LYS 108 2HZ LYS 108 -1.809 16.692 -2.046 892 H ILE 109 H ILE 109 2.245 10.230 0.818 893 HA ILE 109 HA ILE 109 1.186 10.052 3.562 894 HB ILE 109 HB ILE 109 1.663 7.882 1.518 895 HG12 ILE 109 1HG1 ILE 109 -1.041 9.140 2.262 896 HG13 ILE 109 2HG1 ILE 109 -0.126 9.768 0.927 897 HG21 ILE 109 1HG2 ILE 109 0.369 6.462 2.867 898 HG22 ILE 109 2HG2 ILE 109 1.414 7.254 4.024 899 HG23 ILE 109 3HG2 ILE 109 -0.269 7.776 3.865 900 HD11 ILE 109 3HD1 ILE 109 -0.898 6.830 1.017 901 HD12 ILE 109 1HD1 ILE 109 -1.939 8.090 0.347 902 HD13 ILE 109 2HD1 ILE 109 -0.344 7.784 -0.365 903 H PHE 110 H PHE 110 3.824 8.287 1.825 904 HA PHE 110 HA PHE 110 5.045 7.480 4.353 905 HB2 PHE 110 1HB PHE 110 6.111 6.997 1.586 906 HB3 PHE 110 2HB PHE 110 6.396 6.044 3.035 907 HD1 PHE 110 HD1 PHE 110 3.519 5.649 3.993 908 HD2 PHE 110 HD2 PHE 110 5.293 5.429 0.072 909 HE1 PHE 110 HE1 PHE 110 1.615 4.287 3.162 910 HE2 PHE 110 HE2 PHE 110 3.443 3.992 -0.693 911 HZ PHE 110 HZ PHE 110 1.552 3.482 0.839 912 H ASN 111 H ASN 111 5.232 10.324 2.795 913 HA ASN 111 HA ASN 111 6.607 12.107 2.635 914 HB2 ASN 111 1HB ASN 111 6.388 11.741 5.098 915 HB3 ASN 111 2HB ASN 111 8.014 11.018 5.055 916 HD21 ASN 111 2HD2 ASN 111 9.530 12.526 5.778 917 HD22 ASN 111 1HD2 ASN 111 9.378 14.244 5.450 918 H LEU 112 H LEU 112 7.264 10.699 0.726 919 HA LEU 112 HA LEU 112 10.123 9.882 0.625 920 HB2 LEU 112 1HB LEU 112 8.154 9.854 -1.671 921 HB3 LEU 112 2HB LEU 112 9.603 8.901 -1.484 922 HG LEU 112 HG LEU 112 7.210 8.525 0.355 923 HD11 LEU 112 1HD1 LEU 112 6.611 8.244 -2.105 924 HD12 LEU 112 2HD1 LEU 112 6.346 6.861 -1.057 925 HD13 LEU 112 3HD1 LEU 112 7.753 6.904 -2.139 926 HD21 LEU 112 3HD2 LEU 112 8.192 6.369 0.813 927 HD22 LEU 112 1HD2 LEU 112 9.491 7.561 0.990 928 HD23 LEU 112 2HD2 LEU 112 9.375 6.573 -0.482 929 H ALA 113 H ALA 113 8.009 12.306 -0.671 930 HA ALA 113 HA ALA 113 8.071 14.002 -2.115 931 HB1 ALA 113 3HB ALA 113 9.195 15.768 -1.273 932 HB2 ALA 113 1HB ALA 113 9.578 14.645 0.041 933 HB3 ALA 113 2HB ALA 113 10.761 14.931 -1.249 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -22.725 -17.961 8.256 2 H2 GLY 1 2H GLY 1 -24.071 -17.095 7.915 3 H3 GLY 1 3H GLY 1 -22.948 -17.350 6.752 4 HA2 GLY 1 1HA GLY 1 -22.930 -15.073 7.744 5 HA3 GLY 1 2HA GLY 1 -22.377 -15.859 9.232 6 H SER 2 H SER 2 -21.214 -13.967 7.028 7 HA SER 2 HA SER 2 -18.916 -15.414 5.942 8 HB2 SER 2 1HB SER 2 -18.560 -13.198 4.791 9 HB3 SER 2 2HB SER 2 -20.090 -14.014 4.456 10 HG SER 2 HG SER 2 -20.379 -11.772 4.889 11 H HIS 3 H HIS 3 -18.549 -15.571 8.549 12 HA HIS 3 HA HIS 3 -16.943 -13.492 9.777 13 HB2 HIS 3 1HB HIS 3 -16.305 -15.237 11.390 14 HB3 HIS 3 2HB HIS 3 -18.039 -15.202 11.121 15 HD1 HIS 3 HD1 HIS 3 -19.134 -17.475 10.295 16 HD2 HIS 3 HD2 HIS 3 -14.905 -17.345 10.179 17 HE1 HIS 3 HE1 HIS 3 -18.346 -19.848 9.695 18 HE2 HIS 3 HE2 HIS 3 -15.775 -19.768 9.630 19 H MET 4 H MET 4 -16.166 -15.893 7.427 20 HA MET 4 HA MET 4 -13.301 -15.985 7.781 21 HB2 MET 4 1HB MET 4 -15.217 -17.394 6.266 22 HB3 MET 4 2HB MET 4 -14.324 -16.504 5.050 23 HG2 MET 4 1HG MET 4 -12.292 -17.553 6.688 24 HG3 MET 4 2HG MET 4 -13.544 -18.788 6.732 25 HE1 MET 4 3HE MET 4 -12.843 -20.599 5.769 26 HE2 MET 4 1HE MET 4 -12.837 -20.869 4.018 27 HE3 MET 4 2HE MET 4 -11.312 -20.543 4.867 28 H GLY 5 H GLY 5 -11.915 -15.440 5.676 29 HA2 GLY 5 1HA GLY 5 -10.956 -13.751 4.369 30 HA3 GLY 5 2HA GLY 5 -12.456 -12.819 4.470 31 H SER 6 H SER 6 -10.969 -11.032 4.757 32 HA SER 6 HA SER 6 -9.552 -10.876 7.380 33 HB2 SER 6 1HB SER 6 -9.101 -9.345 4.811 34 HB3 SER 6 2HB SER 6 -8.128 -9.243 6.296 35 HG SER 6 HG SER 6 -7.399 -11.283 5.980 36 H VAL 7 H VAL 7 -10.991 -8.355 5.247 37 HA VAL 7 HA VAL 7 -12.002 -6.964 7.687 38 HB VAL 7 HB VAL 7 -12.110 -5.887 4.864 39 HG11 VAL 7 1HG1 VAL 7 -12.195 -3.711 6.119 40 HG12 VAL 7 2HG1 VAL 7 -13.575 -4.741 6.474 41 HG13 VAL 7 3HG1 VAL 7 -12.238 -4.614 7.639 42 HG21 VAL 7 3HG2 VAL 7 -9.895 -5.620 6.942 43 HG22 VAL 7 1HG2 VAL 7 -9.752 -6.264 5.290 44 HG23 VAL 7 2HG2 VAL 7 -10.080 -4.551 5.539 45 H GLY 8 H GLY 8 -13.210 -8.478 4.729 46 HA2 GLY 8 1HA GLY 8 -15.407 -9.683 5.080 47 HA3 GLY 8 2HA GLY 8 -16.057 -8.144 5.635 48 H LEU 9 H LEU 9 -14.163 -7.056 3.313 49 HA LEU 9 HA LEU 9 -16.063 -7.459 1.047 50 HB2 LEU 9 1HB LEU 9 -15.515 -5.169 0.325 51 HB3 LEU 9 2HB LEU 9 -16.387 -5.238 1.829 52 HG LEU 9 HG LEU 9 -13.406 -5.080 2.100 53 HD11 LEU 9 1HD1 LEU 9 -13.447 -2.616 1.773 54 HD12 LEU 9 2HD1 LEU 9 -15.091 -2.753 1.114 55 HD13 LEU 9 3HD1 LEU 9 -13.723 -3.507 0.264 56 HD21 LEU 9 3HD2 LEU 9 -15.521 -3.420 3.446 57 HD22 LEU 9 1HD2 LEU 9 -13.851 -3.760 3.964 58 HD23 LEU 9 2HD2 LEU 9 -15.075 -5.042 4.008 59 H ARG 10 H ARG 10 -14.804 -6.493 -0.976 60 HA ARG 10 HA ARG 10 -12.364 -8.250 -1.360 61 HB2 ARG 10 1HB ARG 10 -14.673 -7.648 -3.232 62 HB3 ARG 10 2HB ARG 10 -13.083 -8.047 -3.866 63 HG2 ARG 10 1HG ARG 10 -14.411 -10.015 -3.841 64 HG3 ARG 10 2HG ARG 10 -13.077 -10.201 -2.700 65 HD2 ARG 10 1HD ARG 10 -14.530 -9.919 -0.813 66 HD3 ARG 10 2HD ARG 10 -15.866 -9.349 -1.842 67 HE ARG 10 HE ARG 10 -15.200 -11.935 -2.742 68 HH11 ARG 10 1HH1 ARG 10 -16.508 -10.593 0.208 69 HH12 ARG 10 2HH1 ARG 10 -17.455 -12.013 0.547 70 HH21 ARG 10 1HH2 ARG 10 -16.432 -13.711 -2.273 71 HH22 ARG 10 2HH2 ARG 10 -17.403 -13.737 -0.832 72 H GLU 11 H GLU 11 -13.733 -5.518 -3.108 73 HA GLU 11 HA GLU 11 -11.371 -3.800 -2.771 74 HB2 GLU 11 1HB GLU 11 -11.597 -5.638 -5.060 75 HB3 GLU 11 2HB GLU 11 -11.406 -3.969 -5.566 76 HG2 GLU 11 1HG GLU 11 -9.293 -3.763 -4.731 77 HG3 GLU 11 2HG GLU 11 -9.513 -4.912 -3.434 78 H ILE 12 H ILE 12 -14.415 -4.429 -4.514 79 HA ILE 12 HA ILE 12 -14.905 -1.829 -5.457 80 HB ILE 12 HB ILE 12 -16.163 -3.646 -6.294 81 HG12 ILE 12 1HG1 ILE 12 -18.463 -2.793 -6.199 82 HG13 ILE 12 2HG1 ILE 12 -18.080 -1.805 -4.794 83 HG21 ILE 12 1HG2 ILE 12 -18.050 -4.101 -4.073 84 HG22 ILE 12 2HG2 ILE 12 -17.240 -5.250 -5.151 85 HG23 ILE 12 3HG2 ILE 12 -16.422 -4.649 -3.699 86 HD11 ILE 12 3HD1 ILE 12 -16.536 -0.427 -6.154 87 HD12 ILE 12 1HD1 ILE 12 -16.835 -1.478 -7.561 88 HD13 ILE 12 2HD1 ILE 12 -18.144 -0.488 -6.880 89 H ILE 13 H ILE 13 -14.914 -0.048 -4.386 90 HA ILE 13 HA ILE 13 -16.519 0.292 -1.924 91 HB ILE 13 HB ILE 13 -14.733 1.609 -0.899 92 HG12 ILE 13 1HG1 ILE 13 -12.311 0.851 -1.701 93 HG13 ILE 13 2HG1 ILE 13 -13.059 0.768 -3.280 94 HG21 ILE 13 1HG2 ILE 13 -13.702 -0.149 0.146 95 HG22 ILE 13 2HG2 ILE 13 -15.220 -0.824 -0.420 96 HG23 ILE 13 3HG2 ILE 13 -13.720 -1.184 -1.305 97 HD11 ILE 13 3HD1 ILE 13 -13.628 3.171 -3.151 98 HD12 ILE 13 1HD1 ILE 13 -13.011 3.239 -1.483 99 HD13 ILE 13 2HD1 ILE 13 -11.903 2.928 -2.795 100 H SER 14 H SER 14 -16.423 2.668 -1.266 101 HA SER 14 HA SER 14 -16.905 4.465 -3.598 102 HB2 SER 14 1HB SER 14 -18.627 5.563 -2.273 103 HB3 SER 14 2HB SER 14 -19.012 3.847 -2.455 104 HG SER 14 HG SER 14 -18.559 3.496 -0.361 105 H GLU 15 H GLU 15 -16.837 6.832 -2.768 106 HA GLU 15 HA GLU 15 -14.238 7.564 -2.028 107 HB2 GLU 15 1HB GLU 15 -15.876 8.972 -3.175 108 HB3 GLU 15 2HB GLU 15 -16.853 9.082 -1.704 109 HG2 GLU 15 1HG GLU 15 -15.109 10.347 -0.575 110 HG3 GLU 15 2HG GLU 15 -13.975 10.039 -1.895 111 H GLU 16 H GLU 16 -16.821 6.630 0.192 112 HA GLU 16 HA GLU 16 -15.806 7.786 2.622 113 HB2 GLU 16 1HB GLU 16 -17.488 5.337 2.001 114 HB3 GLU 16 2HB GLU 16 -16.815 5.554 3.607 115 HG2 GLU 16 1HG GLU 16 -17.902 8.048 3.203 116 HG3 GLU 16 2HG GLU 16 -19.025 7.034 2.299 117 H ASP 17 H ASP 17 -15.137 4.523 1.266 118 HA ASP 17 HA ASP 17 -13.179 3.772 3.251 119 HB2 ASP 17 1HB ASP 17 -13.923 1.978 2.009 120 HB3 ASP 17 2HB ASP 17 -13.880 2.886 0.497 121 H VAL 18 H VAL 18 -12.914 5.455 0.094 122 HA VAL 18 HA VAL 18 -10.133 5.556 -0.009 123 HB VAL 18 HB VAL 18 -12.001 7.712 -1.043 124 HG11 VAL 18 1HG1 VAL 18 -10.145 8.858 -1.483 125 HG12 VAL 18 2HG1 VAL 18 -9.068 7.520 -1.076 126 HG13 VAL 18 3HG1 VAL 18 -9.752 7.615 -2.689 127 HG21 VAL 18 3HG2 VAL 18 -12.637 5.667 -2.051 128 HG22 VAL 18 1HG2 VAL 18 -11.569 6.423 -3.231 129 HG23 VAL 18 2HG2 VAL 18 -10.968 5.109 -2.198 130 H LYS 19 H LYS 19 -12.339 7.805 1.704 131 HA LYS 19 HA LYS 19 -10.186 9.478 2.712 132 HB2 LYS 19 1HB LYS 19 -12.889 9.218 4.057 133 HB3 LYS 19 2HB LYS 19 -11.813 10.608 4.001 134 HG2 LYS 19 1HG LYS 19 -12.470 10.044 1.267 135 HG3 LYS 19 2HG LYS 19 -13.949 9.785 2.192 136 HD2 LYS 19 1HD LYS 19 -13.924 11.969 1.306 137 HD3 LYS 19 2HD LYS 19 -13.752 12.117 3.065 138 HE2 LYS 19 1HE LYS 19 -11.549 12.845 2.928 139 HE3 LYS 19 2HE LYS 19 -11.214 11.920 1.464 140 HZ1 LYS 19 3HZ LYS 19 -13.135 13.957 0.931 141 HZ2 LYS 19 1HZ LYS 19 -11.691 13.702 0.218 142 HZ3 LYS 19 2HZ LYS 19 -11.784 14.616 1.566 143 H GLN 20 H GLN 20 -11.613 6.503 3.911 144 HA GLN 20 HA GLN 20 -10.410 6.660 6.579 145 HB2 GLN 20 1HB GLN 20 -12.494 5.538 6.348 146 HB3 GLN 20 2HB GLN 20 -11.871 4.434 5.120 147 HG2 GLN 20 1HG GLN 20 -10.431 3.313 6.703 148 HG3 GLN 20 2HG GLN 20 -10.685 4.570 7.922 149 HE21 GLN 20 2HE2 GLN 20 -11.033 1.918 8.668 150 HE22 GLN 20 1HE2 GLN 20 -12.756 1.665 8.923 151 H VAL 21 H VAL 21 -9.734 4.584 3.700 152 HA VAL 21 HA VAL 21 -7.463 3.278 4.790 153 HB VAL 21 HB VAL 21 -8.700 2.542 2.804 154 HG11 VAL 21 1HG1 VAL 21 -7.080 4.461 1.130 155 HG12 VAL 21 2HG1 VAL 21 -8.488 3.448 0.703 156 HG13 VAL 21 3HG1 VAL 21 -8.701 4.884 1.700 157 HG21 VAL 21 3HG2 VAL 21 -6.795 1.705 1.546 158 HG22 VAL 21 1HG2 VAL 21 -5.730 2.920 2.283 159 HG23 VAL 21 2HG2 VAL 21 -6.444 1.642 3.287 160 H TYR 22 H TYR 22 -7.658 6.427 3.100 161 HA TYR 22 HA TYR 22 -4.881 6.976 3.020 162 HB2 TYR 22 1HB TYR 22 -7.350 8.614 2.887 163 HB3 TYR 22 2HB TYR 22 -5.886 9.440 3.378 164 HD1 TYR 22 HD2 TYR 22 -7.134 7.116 0.700 165 HD2 TYR 22 HD1 TYR 22 -4.267 10.131 1.808 166 HE1 TYR 22 HE2 TYR 22 -6.466 7.345 -1.678 167 HE2 TYR 22 HE1 TYR 22 -3.490 10.239 -0.556 168 HH TYR 22 HH TYR 22 -3.534 8.598 -2.596 169 H SER 23 H SER 23 -7.093 7.105 5.751 170 HA SER 23 HA SER 23 -5.212 8.490 7.537 171 HB2 SER 23 1HB SER 23 -7.384 9.023 8.016 172 HB3 SER 23 2HB SER 23 -8.008 7.407 7.745 173 HG SER 23 HG SER 23 -7.452 6.804 9.723 174 H ILE 24 H ILE 24 -6.018 5.151 6.729 175 HA ILE 24 HA ILE 24 -4.734 3.896 8.998 176 HB ILE 24 HB ILE 24 -5.143 2.696 6.229 177 HG12 ILE 24 1HG1 ILE 24 -6.929 2.551 8.710 178 HG13 ILE 24 2HG1 ILE 24 -7.280 3.455 7.241 179 HG21 ILE 24 1HG2 ILE 24 -4.640 1.394 8.951 180 HG22 ILE 24 2HG2 ILE 24 -4.964 0.533 7.437 181 HG23 ILE 24 3HG2 ILE 24 -3.487 1.459 7.602 182 HD11 ILE 24 3HD1 ILE 24 -7.122 1.236 5.970 183 HD12 ILE 24 1HD1 ILE 24 -7.222 0.453 7.561 184 HD13 ILE 24 2HD1 ILE 24 -8.540 1.500 7.013 185 H LEU 25 H LEU 25 -3.492 4.478 5.617 186 HA LEU 25 HA LEU 25 -0.823 3.722 6.532 187 HB2 LEU 25 1HB LEU 25 -0.315 4.571 4.101 188 HB3 LEU 25 2HB LEU 25 -0.861 2.961 4.459 189 HG LEU 25 HG LEU 25 -3.129 3.550 3.691 190 HD11 LEU 25 1HD1 LEU 25 -1.832 6.264 3.218 191 HD12 LEU 25 2HD1 LEU 25 -3.241 5.908 4.195 192 HD13 LEU 25 3HD1 LEU 25 -3.324 5.745 2.425 193 HD21 LEU 25 3HD2 LEU 25 -0.945 4.391 1.735 194 HD22 LEU 25 1HD2 LEU 25 -2.572 3.805 1.328 195 HD23 LEU 25 2HD2 LEU 25 -1.405 2.718 2.098 196 H LYS 26 H LYS 26 -2.476 6.655 6.694 197 HA LYS 26 HA LYS 26 -0.478 8.567 6.183 198 HB2 LYS 26 1HB LYS 26 -3.064 8.622 7.257 199 HB3 LYS 26 2HB LYS 26 -2.092 9.143 8.603 200 HG2 LYS 26 1HG LYS 26 -2.728 11.113 7.415 201 HG3 LYS 26 2HG LYS 26 -1.015 10.851 7.087 202 HD2 LYS 26 1HD LYS 26 -2.080 9.533 4.939 203 HD3 LYS 26 2HD LYS 26 -3.407 10.633 5.246 204 HE2 LYS 26 1HE LYS 26 -0.866 12.082 5.376 205 HE3 LYS 26 2HE LYS 26 -0.877 11.076 3.931 206 HZ1 LYS 26 3HZ LYS 26 -2.861 13.165 4.633 207 HZ2 LYS 26 1HZ LYS 26 -3.077 12.124 3.389 208 HZ3 LYS 26 2HZ LYS 26 -1.827 13.173 3.372 209 H GLU 27 H GLU 27 -0.605 6.412 8.892 210 HA GLU 27 HA GLU 27 1.324 7.878 10.510 211 HB2 GLU 27 1HB GLU 27 -0.434 6.321 11.396 212 HB3 GLU 27 2HB GLU 27 0.486 4.956 10.753 213 HG2 GLU 27 1HG GLU 27 2.238 5.233 12.280 214 HG3 GLU 27 2HG GLU 27 1.943 6.954 12.489 215 H LYS 28 H LYS 28 3.468 7.597 10.735 216 HA LYS 28 HA LYS 28 4.889 5.910 8.722 217 HB2 LYS 28 1HB LYS 28 5.908 8.344 10.207 218 HB3 LYS 28 2HB LYS 28 6.687 7.480 8.889 219 HG2 LYS 28 1HG LYS 28 4.066 8.263 7.946 220 HG3 LYS 28 2HG LYS 28 4.749 9.648 8.789 221 HD2 LYS 28 1HD LYS 28 5.918 8.113 6.450 222 HD3 LYS 28 2HD LYS 28 5.272 9.744 6.425 223 HE2 LYS 28 1HE LYS 28 7.266 10.623 6.959 224 HE3 LYS 28 2HE LYS 28 7.295 9.722 8.462 225 HZ1 LYS 28 3HZ LYS 28 9.215 9.188 7.028 226 HZ2 LYS 28 1HZ LYS 28 8.214 8.631 5.845 227 HZ3 LYS 28 2HZ LYS 28 8.315 7.856 7.285 228 H ASP 29 H ASP 29 4.273 5.876 11.984 229 HA ASP 29 HA ASP 29 6.833 4.707 12.888 230 HB2 ASP 29 1HB ASP 29 4.192 5.290 14.274 231 HB3 ASP 29 2HB ASP 29 5.589 4.581 15.084 232 H ILE 30 H ILE 30 4.554 3.430 11.039 233 HA ILE 30 HA ILE 30 3.949 0.901 12.302 234 HB ILE 30 HB ILE 30 2.970 0.272 10.162 235 HG12 ILE 30 1HG1 ILE 30 2.902 2.282 8.421 236 HG13 ILE 30 2HG1 ILE 30 4.422 2.707 9.164 237 HG21 ILE 30 1HG2 ILE 30 1.589 1.578 11.636 238 HG22 ILE 30 2HG2 ILE 30 2.300 3.105 11.068 239 HG23 ILE 30 3HG2 ILE 30 1.306 2.149 9.983 240 HD11 ILE 30 3HD1 ILE 30 3.756 0.006 7.893 241 HD12 ILE 30 1HD1 ILE 30 4.639 1.298 7.077 242 HD13 ILE 30 2HD1 ILE 30 5.365 0.495 8.452 243 H SER 31 H SER 31 6.825 1.996 10.914 244 HA SER 31 HA SER 31 7.767 0.094 9.170 245 HB2 SER 31 1HB SER 31 10.059 0.778 9.919 246 HB3 SER 31 2HB SER 31 8.972 2.106 9.497 247 HG SER 31 HG SER 31 9.493 1.183 12.144 248 H VAL 32 H VAL 32 7.548 -2.049 9.409 249 HA VAL 32 HA VAL 32 7.774 -3.413 11.884 250 HB VAL 32 HB VAL 32 6.434 -4.148 9.921 251 HG11 VAL 32 1HG1 VAL 32 8.133 -3.892 8.162 252 HG12 VAL 32 2HG1 VAL 32 9.027 -5.278 8.833 253 HG13 VAL 32 3HG1 VAL 32 7.386 -5.494 8.181 254 HG21 VAL 32 3HG2 VAL 32 8.093 -6.514 10.653 255 HG22 VAL 32 1HG2 VAL 32 7.350 -5.597 11.984 256 HG23 VAL 32 2HG2 VAL 32 6.328 -6.225 10.718 257 H ASP 33 H ASP 33 9.303 -4.948 12.653 258 HA ASP 33 HA ASP 33 12.031 -4.063 12.473 259 HB2 ASP 33 1HB ASP 33 10.609 -5.304 14.378 260 HB3 ASP 33 2HB ASP 33 11.287 -6.746 13.628 261 H SER 34 H SER 34 13.897 -5.307 11.779 262 HA SER 34 HA SER 34 13.596 -6.406 9.140 263 HB2 SER 34 1HB SER 34 15.992 -6.910 9.225 264 HB3 SER 34 2HB SER 34 15.638 -5.259 9.746 265 HG SER 34 HG SER 34 16.018 -5.838 11.863 266 H THR 35 H THR 35 14.388 -8.105 12.189 267 HA THR 35 HA THR 35 14.489 -10.760 11.098 268 HB THR 35 HB THR 35 13.664 -9.876 13.895 269 HG1 THR 35 HG1 THR 35 15.765 -9.277 13.376 270 HG21 THR 35 3HG2 THR 35 14.427 -12.143 14.594 271 HG22 THR 35 1HG2 THR 35 14.560 -12.612 12.884 272 HG23 THR 35 2HG2 THR 35 12.975 -12.207 13.590 273 H THR 36 H THR 36 11.723 -8.861 12.199 274 HA THR 36 HA THR 36 9.777 -11.034 11.767 275 HB THR 36 HB THR 36 9.298 -8.063 12.257 276 HG1 THR 36 HG1 THR 36 10.393 -9.082 13.977 277 HG21 THR 36 3HG2 THR 36 7.467 -10.492 12.520 278 HG22 THR 36 1HG2 THR 36 7.263 -9.112 11.416 279 HG23 THR 36 2HG2 THR 36 7.102 -8.873 13.156 280 H TRP 37 H TRP 37 11.056 -8.324 9.860 281 HA TRP 37 HA TRP 37 9.119 -8.105 7.933 282 HB2 TRP 37 1HB TRP 37 10.946 -6.531 8.030 283 HB3 TRP 37 2HB TRP 37 12.107 -7.785 7.617 284 HD1 TRP 37 HD1 TRP 37 13.016 -6.976 5.379 285 HE1 TRP 37 HE1 TRP 37 12.012 -6.571 3.033 286 HE3 TRP 37 HE3 TRP 37 8.018 -7.134 6.527 287 HZ2 TRP 37 HZ2 TRP 37 9.401 -6.663 1.796 288 HZ3 TRP 37 HZ3 TRP 37 6.348 -7.159 4.782 289 HH2 TRP 37 HH2 TRP 37 6.972 -6.917 2.399 290 H ASN 38 H ASN 38 11.890 -10.349 7.788 291 HA ASN 38 HA ASN 38 11.407 -11.603 5.332 292 HB2 ASN 38 1HB ASN 38 12.358 -12.834 7.960 293 HB3 ASN 38 2HB ASN 38 12.487 -13.620 6.387 294 HD21 ASN 38 2HD2 ASN 38 14.284 -13.113 5.052 295 HD22 ASN 38 1HD2 ASN 38 15.449 -11.892 5.558 296 H ARG 39 H ARG 39 9.609 -12.028 8.311 297 HA ARG 39 HA ARG 39 8.006 -14.316 7.297 298 HB2 ARG 39 1HB ARG 39 7.506 -12.859 9.904 299 HB3 ARG 39 2HB ARG 39 7.106 -14.507 9.456 300 HG2 ARG 39 1HG ARG 39 9.781 -13.346 10.273 301 HG3 ARG 39 2HG ARG 39 8.871 -14.644 11.027 302 HD2 ARG 39 1HD ARG 39 10.492 -14.733 8.467 303 HD3 ARG 39 2HD ARG 39 10.803 -15.584 9.972 304 HE ARG 39 HE ARG 39 8.362 -16.595 9.288 305 HH11 ARG 39 1HH1 ARG 39 11.307 -16.381 7.416 306 HH12 ARG 39 2HH1 ARG 39 10.868 -17.720 6.394 307 HH21 ARG 39 1HH2 ARG 39 7.862 -18.302 7.965 308 HH22 ARG 39 2HH2 ARG 39 8.976 -18.789 6.724 309 H ARG 40 H ARG 40 7.505 -10.943 8.234 310 HA ARG 40 HA ARG 40 4.750 -10.595 7.642 311 HB2 ARG 40 1HB ARG 40 7.142 -8.802 7.569 312 HB3 ARG 40 2HB ARG 40 5.592 -8.172 7.021 313 HG2 ARG 40 1HG ARG 40 5.821 -9.584 9.686 314 HG3 ARG 40 2HG ARG 40 6.330 -7.899 9.468 315 HD2 ARG 40 1HD ARG 40 4.272 -7.075 9.246 316 HD3 ARG 40 2HD ARG 40 3.634 -8.515 8.416 317 HE ARG 40 HE ARG 40 3.936 -9.513 10.884 318 HH11 ARG 40 1HH1 ARG 40 2.250 -6.650 9.800 319 HH12 ARG 40 2HH1 ARG 40 1.068 -6.763 11.080 320 HH21 ARG 40 1HH2 ARG 40 2.418 -9.613 12.459 321 HH22 ARG 40 2HH2 ARG 40 1.160 -8.415 12.539 322 H TYR 41 H TYR 41 7.491 -10.624 5.426 323 HA TYR 41 HA TYR 41 6.280 -9.796 3.063 324 HB2 TYR 41 1HB TYR 41 8.718 -10.652 3.652 325 HB3 TYR 41 2HB TYR 41 8.131 -12.192 3.049 326 HD1 TYR 41 HD2 TYR 41 6.842 -11.979 0.636 327 HD2 TYR 41 HD1 TYR 41 9.789 -9.244 2.193 328 HE1 TYR 41 HE2 TYR 41 7.144 -11.008 -1.630 329 HE2 TYR 41 HE1 TYR 41 10.104 -8.291 -0.096 330 HH TYR 41 HH TYR 41 8.548 -9.660 -2.929 331 H ARG 42 H ARG 42 6.039 -12.954 4.643 332 HA ARG 42 HA ARG 42 4.670 -14.365 2.498 333 HB2 ARG 42 1HB ARG 42 4.774 -15.040 5.472 334 HB3 ARG 42 2HB ARG 42 4.275 -16.123 4.187 335 HG2 ARG 42 1HG ARG 42 7.063 -14.891 4.340 336 HG3 ARG 42 2HG ARG 42 6.648 -16.425 5.083 337 HD2 ARG 42 1HD ARG 42 6.175 -15.928 2.116 338 HD3 ARG 42 2HD ARG 42 7.736 -16.465 2.753 339 HE ARG 42 HE ARG 42 5.626 -18.150 3.758 340 HH11 ARG 42 1HH1 ARG 42 7.427 -17.654 0.809 341 HH12 ARG 42 2HH1 ARG 42 7.355 -19.339 0.368 342 HH21 ARG 42 1HH2 ARG 42 5.571 -20.280 3.162 343 HH22 ARG 42 2HH2 ARG 42 6.318 -20.781 1.675 344 H GLU 43 H GLU 43 3.415 -13.157 5.627 345 HA GLU 43 HA GLU 43 0.647 -13.618 5.021 346 HB2 GLU 43 1HB GLU 43 0.157 -11.822 6.687 347 HB3 GLU 43 2HB GLU 43 1.134 -13.186 7.262 348 HG2 GLU 43 1HG GLU 43 3.159 -11.799 7.059 349 HG3 GLU 43 2HG GLU 43 2.162 -10.409 6.585 350 H TYR 44 H TYR 44 2.560 -10.607 4.514 351 HA TYR 44 HA TYR 44 0.453 -9.203 3.204 352 HB2 TYR 44 1HB TYR 44 3.456 -8.917 3.058 353 HB3 TYR 44 2HB TYR 44 2.315 -7.767 2.408 354 HD1 TYR 44 HD2 TYR 44 0.397 -8.298 5.086 355 HD2 TYR 44 HD1 TYR 44 4.418 -7.059 4.259 356 HE1 TYR 44 HE2 TYR 44 0.429 -7.014 7.216 357 HE2 TYR 44 HE1 TYR 44 4.535 -5.937 6.586 358 HH TYR 44 HH TYR 44 2.487 -4.699 7.997 359 H MET 45 H MET 45 2.886 -11.422 1.798 360 HA MET 45 HA MET 45 2.326 -11.000 -0.919 361 HB2 MET 45 1HB MET 45 3.477 -13.214 0.680 362 HB3 MET 45 2HB MET 45 2.552 -13.804 -0.675 363 HG2 MET 45 1HG MET 45 3.895 -12.053 -2.072 364 HG3 MET 45 2HG MET 45 5.010 -12.088 -0.701 365 HE1 MET 45 3HE MET 45 6.680 -14.243 -3.571 366 HE2 MET 45 1HE MET 45 6.190 -12.577 -3.200 367 HE3 MET 45 2HE MET 45 7.247 -13.471 -2.075 368 H GLU 46 H GLU 46 0.370 -12.798 1.443 369 HA GLU 46 HA GLU 46 -1.469 -13.879 -0.576 370 HB2 GLU 46 1HB GLU 46 -1.964 -13.671 2.398 371 HB3 GLU 46 2HB GLU 46 -2.743 -14.733 1.193 372 HG2 GLU 46 1HG GLU 46 -0.612 -15.886 0.807 373 HG3 GLU 46 2HG GLU 46 0.192 -14.829 1.953 374 H LYS 47 H LYS 47 -1.446 -11.126 1.670 375 HA LYS 47 HA LYS 47 -4.089 -10.215 1.282 376 HB2 LYS 47 1HB LYS 47 -1.499 -8.848 2.004 377 HB3 LYS 47 2HB LYS 47 -2.823 -7.838 1.466 378 HG2 LYS 47 1HG LYS 47 -2.864 -7.821 3.765 379 HG3 LYS 47 2HG LYS 47 -4.279 -8.725 3.221 380 HD2 LYS 47 1HD LYS 47 -3.390 -10.786 4.040 381 HD3 LYS 47 2HD LYS 47 -1.734 -10.128 4.064 382 HE2 LYS 47 1HE LYS 47 -2.448 -8.474 5.794 383 HE3 LYS 47 2HE LYS 47 -4.006 -9.312 5.900 384 HZ1 LYS 47 3HZ LYS 47 -2.515 -10.107 7.612 385 HZ2 LYS 47 1HZ LYS 47 -1.344 -10.469 6.541 386 HZ3 LYS 47 2HZ LYS 47 -2.743 -11.329 6.552 387 H ILE 48 H ILE 48 -1.451 -10.073 -0.961 388 HA ILE 48 HA ILE 48 -2.457 -8.073 -2.748 389 HB ILE 48 HB ILE 48 -0.766 -10.420 -3.600 390 HG12 ILE 48 1HG1 ILE 48 0.400 -9.799 -1.651 391 HG13 ILE 48 2HG1 ILE 48 1.225 -8.981 -2.964 392 HG21 ILE 48 1HG2 ILE 48 -0.679 -7.480 -4.419 393 HG22 ILE 48 2HG2 ILE 48 0.268 -8.839 -5.068 394 HG23 ILE 48 3HG2 ILE 48 -1.469 -8.765 -5.348 395 HD11 ILE 48 3HD1 ILE 48 -0.453 -7.786 -0.758 396 HD12 ILE 48 1HD1 ILE 48 1.104 -7.260 -1.446 397 HD13 ILE 48 2HD1 ILE 48 -0.406 -6.931 -2.299 398 H LYS 49 H LYS 49 -3.419 -11.315 -2.228 399 HA LYS 49 HA LYS 49 -5.077 -11.453 -4.740 400 HB2 LYS 49 1HB LYS 49 -3.890 -13.676 -3.036 401 HB3 LYS 49 2HB LYS 49 -4.811 -13.899 -4.524 402 HG2 LYS 49 1HG LYS 49 -3.092 -12.980 -5.888 403 HG3 LYS 49 2HG LYS 49 -2.206 -12.306 -4.520 404 HD2 LYS 49 1HD LYS 49 -2.599 -15.294 -4.883 405 HD3 LYS 49 2HD LYS 49 -1.216 -14.391 -5.512 406 HE2 LYS 49 1HE LYS 49 -1.537 -13.570 -2.787 407 HE3 LYS 49 2HE LYS 49 -1.732 -15.317 -2.770 408 HZ1 LYS 49 3HZ LYS 49 0.431 -15.500 -3.894 409 HZ2 LYS 49 1HZ LYS 49 0.603 -14.599 -2.535 410 HZ3 LYS 49 2HZ LYS 49 0.568 -13.867 -3.983 411 H THR 50 H THR 50 -5.039 -11.937 -1.273 412 HA THR 50 HA THR 50 -7.977 -12.604 -1.255 413 HB THR 50 HB THR 50 -7.691 -13.857 0.686 414 HG1 THR 50 HG1 THR 50 -6.438 -12.761 2.034 415 HG21 THR 50 3HG2 THR 50 -5.027 -14.372 -0.674 416 HG22 THR 50 1HG2 THR 50 -6.586 -14.920 -1.352 417 HG23 THR 50 2HG2 THR 50 -6.037 -15.515 0.232 418 H GLY 51 H GLY 51 -5.603 -10.365 -0.125 419 HA2 GLY 51 1HA GLY 51 -7.061 -9.291 2.124 420 HA3 GLY 51 2HA GLY 51 -5.628 -8.588 1.363 421 H SER 52 H SER 52 -7.903 -7.281 2.301 422 HA SER 52 HA SER 52 -9.473 -6.469 -0.048 423 HB2 SER 52 1HB SER 52 -10.106 -6.826 2.597 424 HB3 SER 52 2HB SER 52 -9.874 -5.065 2.544 425 HG SER 52 HG SER 52 -11.583 -6.717 0.994 426 H VAL 53 H VAL 53 -10.040 -4.030 -0.028 427 HA VAL 53 HA VAL 53 -7.948 -2.432 -0.965 428 HB VAL 53 HB VAL 53 -10.185 -1.836 -1.404 429 HG11 VAL 53 1HG1 VAL 53 -11.763 -1.048 0.194 430 HG12 VAL 53 2HG1 VAL 53 -11.312 -2.706 0.566 431 HG13 VAL 53 3HG1 VAL 53 -10.665 -1.354 1.530 432 HG21 VAL 53 3HG2 VAL 53 -8.474 0.025 -1.115 433 HG22 VAL 53 1HG2 VAL 53 -10.173 0.499 -1.031 434 HG23 VAL 53 2HG2 VAL 53 -9.230 0.365 0.456 435 H PHE 54 H PHE 54 -9.280 -2.281 2.322 436 HA PHE 54 HA PHE 54 -7.474 -0.425 3.442 437 HB2 PHE 54 1HB PHE 54 -9.023 -2.742 4.658 438 HB3 PHE 54 2HB PHE 54 -8.204 -1.507 5.612 439 HD1 PHE 54 HD2 PHE 54 -8.905 1.071 4.647 440 HD2 PHE 54 HD1 PHE 54 -11.335 -2.489 4.502 441 HE1 PHE 54 HE2 PHE 54 -10.941 2.459 4.502 442 HE2 PHE 54 HE1 PHE 54 -13.380 -1.061 4.464 443 HZ PHE 54 HZ PHE 54 -13.175 1.400 4.523 444 H GLU 55 H GLU 55 -7.028 -3.840 2.762 445 HA GLU 55 HA GLU 55 -4.600 -4.062 4.424 446 HB2 GLU 55 1HB GLU 55 -5.819 -6.129 2.565 447 HB3 GLU 55 2HB GLU 55 -4.513 -6.326 3.730 448 HG2 GLU 55 1HG GLU 55 -6.363 -5.359 5.435 449 HG3 GLU 55 2HG GLU 55 -7.460 -6.032 4.218 450 H ILE 56 H ILE 56 -5.373 -4.188 0.886 451 HA ILE 56 HA ILE 56 -2.784 -4.458 -0.148 452 HB ILE 56 HB ILE 56 -5.202 -2.935 -1.130 453 HG12 ILE 56 1HG1 ILE 56 -5.338 -5.398 -1.017 454 HG13 ILE 56 2HG1 ILE 56 -5.505 -4.756 -2.646 455 HG21 ILE 56 1HG2 ILE 56 -3.371 -1.744 -2.157 456 HG22 ILE 56 2HG2 ILE 56 -2.590 -3.259 -2.647 457 HG23 ILE 56 3HG2 ILE 56 -4.162 -2.761 -3.330 458 HD11 ILE 56 3HD1 ILE 56 -3.118 -5.410 -3.078 459 HD12 ILE 56 1HD1 ILE 56 -3.075 -6.142 -1.458 460 HD13 ILE 56 2HD1 ILE 56 -4.204 -6.755 -2.681 461 H ALA 57 H ALA 57 -4.447 -1.429 0.728 462 HA ALA 57 HA ALA 57 -2.223 0.308 0.282 463 HB1 ALA 57 3HB ALA 57 -3.552 1.704 2.058 464 HB2 ALA 57 1HB ALA 57 -4.351 1.300 0.526 465 HB3 ALA 57 2HB ALA 57 -4.715 0.377 2.001 466 H GLU 58 H GLU 58 -3.109 -1.506 3.303 467 HA GLU 58 HA GLU 58 -0.888 -0.466 4.837 468 HB2 GLU 58 1HB GLU 58 -2.805 -2.782 5.140 469 HB3 GLU 58 2HB GLU 58 -1.356 -2.709 6.135 470 HG2 GLU 58 1HG GLU 58 -2.019 -0.309 6.717 471 HG3 GLU 58 2HG GLU 58 -3.582 -0.662 5.998 472 H VAL 59 H VAL 59 -1.136 -3.185 2.602 473 HA VAL 59 HA VAL 59 1.315 -4.487 3.322 474 HB VAL 59 HB VAL 59 -0.171 -4.450 0.659 475 HG11 VAL 59 1HG1 VAL 59 2.352 -5.778 1.571 476 HG12 VAL 59 2HG1 VAL 59 1.230 -6.749 0.629 477 HG13 VAL 59 3HG1 VAL 59 1.871 -5.237 -0.047 478 HG21 VAL 59 3HG2 VAL 59 -1.078 -5.572 2.997 479 HG22 VAL 59 1HG2 VAL 59 -1.419 -6.150 1.360 480 HG23 VAL 59 2HG2 VAL 59 -0.141 -6.902 2.343 481 H LEU 60 H LEU 60 0.690 -2.390 0.471 482 HA LEU 60 HA LEU 60 3.440 -2.092 -0.209 483 HB2 LEU 60 1HB LEU 60 2.620 -1.263 -2.001 484 HB3 LEU 60 2HB LEU 60 1.011 -1.422 -1.378 485 HG LEU 60 HG LEU 60 2.687 1.110 -1.013 486 HD11 LEU 60 1HD1 LEU 60 2.331 0.449 -3.384 487 HD12 LEU 60 2HD1 LEU 60 1.622 1.990 -2.930 488 HD13 LEU 60 3HD1 LEU 60 0.583 0.545 -3.113 489 HD21 LEU 60 3HD2 LEU 60 0.827 1.103 0.526 490 HD22 LEU 60 1HD2 LEU 60 -0.263 0.437 -0.697 491 HD23 LEU 60 2HD2 LEU 60 0.354 2.105 -0.815 492 H ARG 61 H ARG 61 1.517 -0.293 2.082 493 HA ARG 61 HA ARG 61 3.229 1.922 2.630 494 HB2 ARG 61 1HB ARG 61 0.951 1.801 3.477 495 HB3 ARG 61 2HB ARG 61 1.293 0.301 4.314 496 HG2 ARG 61 1HG ARG 61 3.005 1.724 5.724 497 HG3 ARG 61 2HG ARG 61 2.123 3.095 5.094 498 HD2 ARG 61 1HD ARG 61 1.057 2.644 7.089 499 HD3 ARG 61 2HD ARG 61 0.002 1.814 5.923 500 HE ARG 61 HE ARG 61 1.843 -0.128 6.771 501 HH11 ARG 61 1HH1 ARG 61 -0.745 1.732 8.272 502 HH12 ARG 61 2HH1 ARG 61 -1.056 0.453 9.408 503 HH21 ARG 61 1HH2 ARG 61 1.539 -1.567 8.340 504 HH22 ARG 61 2HH2 ARG 61 0.204 -1.342 9.466 505 H ASP 62 H ASP 62 3.091 -1.236 4.266 506 HA ASP 62 HA ASP 62 5.330 -0.797 5.987 507 HB2 ASP 62 1HB ASP 62 3.701 -3.137 5.104 508 HB3 ASP 62 2HB ASP 62 5.353 -3.506 5.580 509 H LEU 63 H LEU 63 5.204 -2.390 2.790 510 HA LEU 63 HA LEU 63 7.972 -2.842 2.388 511 HB2 LEU 63 1HB LEU 63 5.645 -2.297 0.541 512 HB3 LEU 63 2HB LEU 63 7.240 -2.596 -0.104 513 HG LEU 63 HG LEU 63 6.303 -4.578 1.938 514 HD11 LEU 63 1HD1 LEU 63 5.208 -4.792 -0.883 515 HD12 LEU 63 2HD1 LEU 63 4.269 -4.116 0.459 516 HD13 LEU 63 3HD1 LEU 63 4.850 -5.765 0.565 517 HD21 LEU 63 3HD2 LEU 63 8.455 -4.827 0.755 518 HD22 LEU 63 1HD2 LEU 63 7.611 -4.804 -0.805 519 HD23 LEU 63 2HD2 LEU 63 7.353 -6.150 0.307 520 H TYR 64 H TYR 64 6.136 0.136 1.558 521 HA TYR 64 HA TYR 64 8.315 1.599 0.452 522 HB2 TYR 64 1HB TYR 64 5.573 2.168 1.346 523 HB3 TYR 64 2HB TYR 64 6.658 3.493 1.659 524 HD1 TYR 64 HD2 TYR 64 8.133 4.398 -0.207 525 HD2 TYR 64 HD1 TYR 64 4.855 1.711 -0.903 526 HE1 TYR 64 HE2 TYR 64 7.906 5.279 -2.531 527 HE2 TYR 64 HE1 TYR 64 4.723 2.462 -3.248 528 HH TYR 64 HH TYR 64 6.703 5.247 -4.437 529 H LEU 65 H LEU 65 7.093 1.660 3.835 530 HA LEU 65 HA LEU 65 9.191 3.506 4.675 531 HB2 LEU 65 1HB LEU 65 7.324 1.732 6.283 532 HB3 LEU 65 2HB LEU 65 8.405 2.948 6.974 533 HG LEU 65 HG LEU 65 6.036 3.464 5.123 534 HD11 LEU 65 1HD1 LEU 65 5.966 2.981 7.720 535 HD12 LEU 65 2HD1 LEU 65 4.981 4.293 7.026 536 HD13 LEU 65 3HD1 LEU 65 6.530 4.627 7.860 537 HD21 LEU 65 3HD2 LEU 65 7.750 5.136 4.559 538 HD22 LEU 65 1HD2 LEU 65 8.076 5.425 6.280 539 HD23 LEU 65 2HD2 LEU 65 6.509 5.888 5.572 540 H LEU 66 H LEU 66 8.969 0.004 4.590 541 HA LEU 66 HA LEU 66 11.218 -0.668 6.190 542 HB2 LEU 66 1HB LEU 66 9.754 -1.887 3.852 543 HB3 LEU 66 2HB LEU 66 11.275 -2.596 4.334 544 HG LEU 66 HG LEU 66 9.075 -2.139 6.389 545 HD11 LEU 66 1HD1 LEU 66 9.503 -4.462 4.503 546 HD12 LEU 66 2HD1 LEU 66 8.071 -3.456 4.610 547 HD13 LEU 66 3HD1 LEU 66 8.456 -4.516 5.949 548 HD21 LEU 66 3HD2 LEU 66 11.105 -2.669 7.472 549 HD22 LEU 66 1HD2 LEU 66 11.633 -3.776 6.183 550 HD23 LEU 66 2HD2 LEU 66 10.349 -4.253 7.283 551 H LYS 67 H LYS 67 11.050 0.363 2.787 552 HA LYS 67 HA LYS 67 13.937 0.166 2.353 553 HB2 LYS 67 1HB LYS 67 12.202 0.036 0.528 554 HB3 LYS 67 2HB LYS 67 11.801 1.729 0.818 555 HG2 LYS 67 1HG LYS 67 13.248 1.662 -1.076 556 HG3 LYS 67 2HG LYS 67 14.164 2.362 0.219 557 HD2 LYS 67 1HD LYS 67 14.652 -0.468 0.398 558 HD3 LYS 67 2HD LYS 67 14.685 -0.077 -1.312 559 HE2 LYS 67 1HE LYS 67 16.334 1.705 -0.919 560 HE3 LYS 67 2HE LYS 67 16.298 1.361 0.820 561 HZ1 LYS 67 3HZ LYS 67 18.157 0.225 -0.220 562 HZ2 LYS 67 1HZ LYS 67 17.192 -0.528 -1.298 563 HZ3 LYS 67 2HZ LYS 67 17.098 -0.904 0.294 564 H GLY 68 H GLY 68 11.773 2.697 3.473 565 HA2 GLY 68 1HA GLY 68 12.197 4.776 4.443 566 HA3 GLY 68 2HA GLY 68 13.923 4.423 4.420 567 H ASP 69 H ASP 69 12.386 4.124 1.328 568 HA ASP 69 HA ASP 69 12.834 6.845 0.415 569 HB2 ASP 69 1HB ASP 69 15.133 5.350 0.533 570 HB3 ASP 69 2HB ASP 69 14.549 4.883 -1.057 571 H LYS 70 H LYS 70 12.737 6.785 -2.125 572 HA LYS 70 HA LYS 70 10.208 5.485 -2.897 573 HB2 LYS 70 1HB LYS 70 10.347 6.838 -4.886 574 HB3 LYS 70 2HB LYS 70 10.771 7.820 -3.485 575 HG2 LYS 70 1HG LYS 70 13.268 7.089 -4.194 576 HG3 LYS 70 2HG LYS 70 12.512 6.858 -5.758 577 HD2 LYS 70 1HD LYS 70 12.514 9.446 -4.116 578 HD3 LYS 70 2HD LYS 70 13.591 9.060 -5.452 579 HE2 LYS 70 1HE LYS 70 12.134 10.205 -6.701 580 HE3 LYS 70 2HE LYS 70 11.266 8.672 -6.760 581 HZ1 LYS 70 3HZ LYS 70 9.856 9.487 -4.938 582 HZ2 LYS 70 1HZ LYS 70 9.840 10.578 -6.152 583 HZ3 LYS 70 2HZ LYS 70 10.732 10.870 -4.821 584 H ASP 71 H ASP 71 13.589 4.889 -3.541 585 HA ASP 71 HA ASP 71 13.041 3.008 -5.747 586 HB2 ASP 71 1HB ASP 71 14.941 4.574 -5.863 587 HB3 ASP 71 2HB ASP 71 15.661 3.826 -4.437 588 H LEU 72 H LEU 72 11.797 1.434 -4.615 589 HA LEU 72 HA LEU 72 12.721 0.041 -2.330 590 HB2 LEU 72 1HB LEU 72 10.419 -0.130 -4.063 591 HB3 LEU 72 2HB LEU 72 11.107 -1.744 -3.877 592 HG LEU 72 HG LEU 72 11.260 -1.250 -1.361 593 HD11 LEU 72 1HD1 LEU 72 9.182 0.884 -2.054 594 HD12 LEU 72 2HD1 LEU 72 10.857 1.255 -1.628 595 HD13 LEU 72 3HD1 LEU 72 9.822 0.445 -0.455 596 HD21 LEU 72 3HD2 LEU 72 8.371 -1.255 -2.045 597 HD22 LEU 72 1HD2 LEU 72 9.289 -2.237 -0.925 598 HD23 LEU 72 2HD2 LEU 72 9.359 -2.578 -2.666 599 H SER 73 H SER 73 13.534 -2.053 -1.978 600 HA SER 73 HA SER 73 15.894 -2.605 -3.516 601 HB2 SER 73 1HB SER 73 15.285 -3.185 -1.014 602 HB3 SER 73 2HB SER 73 14.617 -4.671 -1.721 603 HG SER 73 HG SER 73 16.882 -4.790 -1.111 604 H PHE 74 H PHE 74 16.393 -4.685 -4.639 605 HA PHE 74 HA PHE 74 14.615 -5.230 -6.758 606 HB2 PHE 74 1HB PHE 74 17.007 -5.792 -6.818 607 HB3 PHE 74 2HB PHE 74 16.762 -7.064 -5.624 608 HD1 PHE 74 HD1 PHE 74 15.499 -9.149 -6.222 609 HD2 PHE 74 HD2 PHE 74 16.324 -6.091 -9.155 610 HE1 PHE 74 HE1 PHE 74 14.832 -10.704 -8.032 611 HE2 PHE 74 HE2 PHE 74 15.700 -7.673 -10.968 612 HZ PHE 74 HZ PHE 74 14.949 -9.978 -10.410 613 H GLY 75 H GLY 75 14.984 -7.093 -3.716 614 HA2 GLY 75 1HA GLY 75 12.931 -9.039 -4.358 615 HA3 GLY 75 2HA GLY 75 13.580 -8.707 -2.749 616 H GLU 76 H GLU 76 12.874 -6.180 -2.147 617 HA GLU 76 HA GLU 76 10.160 -6.431 -1.398 618 HB2 GLU 76 1HB GLU 76 11.711 -3.819 -1.583 619 HB3 GLU 76 2HB GLU 76 10.313 -4.184 -0.562 620 HG2 GLU 76 1HG GLU 76 11.677 -5.938 0.611 621 HG3 GLU 76 2HG GLU 76 13.085 -5.400 -0.301 622 H ARG 77 H ARG 77 11.524 -4.664 -4.157 623 HA ARG 77 HA ARG 77 9.156 -3.383 -5.045 624 HB2 ARG 77 1HB ARG 77 11.413 -2.832 -5.897 625 HB3 ARG 77 2HB ARG 77 11.516 -4.416 -6.661 626 HG2 ARG 77 1HG ARG 77 11.018 -2.736 -8.327 627 HG3 ARG 77 2HG ARG 77 9.671 -3.847 -8.177 628 HD2 ARG 77 1HD ARG 77 8.707 -1.987 -6.522 629 HD3 ARG 77 2HD ARG 77 9.855 -0.938 -7.338 630 HE ARG 77 HE ARG 77 7.402 -2.176 -8.404 631 HH11 ARG 77 1HH1 ARG 77 10.316 -0.527 -9.408 632 HH12 ARG 77 2HH1 ARG 77 9.676 -0.187 -10.994 633 HH21 ARG 77 1HH2 ARG 77 6.700 -1.833 -10.510 634 HH22 ARG 77 2HH2 ARG 77 7.656 -0.814 -11.534 635 H LYS 78 H LYS 78 10.075 -6.761 -5.350 636 HA LYS 78 HA LYS 78 8.414 -7.522 -7.549 637 HB2 LYS 78 1HB LYS 78 9.214 -9.212 -5.155 638 HB3 LYS 78 2HB LYS 78 8.549 -9.804 -6.661 639 HG2 LYS 78 1HG LYS 78 10.851 -8.101 -7.238 640 HG3 LYS 78 2HG LYS 78 11.305 -9.284 -6.028 641 HD2 LYS 78 1HD LYS 78 9.842 -10.241 -8.498 642 HD3 LYS 78 2HD LYS 78 11.501 -9.688 -8.650 643 HE2 LYS 78 1HE LYS 78 11.528 -12.049 -8.362 644 HE3 LYS 78 2HE LYS 78 12.285 -11.276 -6.967 645 HZ1 LYS 78 3HZ LYS 78 10.783 -13.098 -6.340 646 HZ2 LYS 78 1HZ LYS 78 9.506 -12.342 -7.013 647 HZ3 LYS 78 2HZ LYS 78 10.256 -11.694 -5.703 648 H MET 79 H MET 79 7.644 -7.611 -4.044 649 HA MET 79 HA MET 79 4.834 -8.286 -4.580 650 HB2 MET 79 1HB MET 79 6.181 -8.913 -2.482 651 HB3 MET 79 2HB MET 79 5.904 -7.247 -1.948 652 HG2 MET 79 1HG MET 79 3.368 -8.058 -2.722 653 HG3 MET 79 2HG MET 79 4.063 -9.583 -2.196 654 HE1 MET 79 3HE MET 79 6.063 -8.303 0.135 655 HE2 MET 79 1HE MET 79 5.051 -8.451 1.578 656 HE3 MET 79 2HE MET 79 5.152 -9.805 0.426 657 H LEU 80 H LEU 80 6.617 -5.314 -3.625 658 HA LEU 80 HA LEU 80 4.416 -3.591 -3.263 659 HB2 LEU 80 1HB LEU 80 6.801 -3.046 -2.723 660 HB3 LEU 80 2HB LEU 80 7.127 -2.931 -4.451 661 HG LEU 80 HG LEU 80 5.022 -1.191 -4.261 662 HD11 LEU 80 1HD1 LEU 80 5.176 -1.610 -1.680 663 HD12 LEU 80 2HD1 LEU 80 4.814 -0.030 -2.375 664 HD13 LEU 80 3HD1 LEU 80 6.441 -0.367 -1.781 665 HD21 LEU 80 3HD2 LEU 80 6.850 -0.485 -5.442 666 HD22 LEU 80 1HD2 LEU 80 7.975 -0.714 -4.109 667 HD23 LEU 80 2HD2 LEU 80 6.830 0.629 -4.045 668 H ASP 81 H ASP 81 6.143 -4.312 -6.346 669 HA ASP 81 HA ASP 81 4.795 -2.590 -8.094 670 HB2 ASP 81 1HB ASP 81 6.726 -4.017 -8.677 671 HB3 ASP 81 2HB ASP 81 5.721 -5.463 -8.543 672 H THR 82 H THR 82 3.721 -5.750 -6.904 673 HA THR 82 HA THR 82 1.271 -5.799 -8.461 674 HB THR 82 HB THR 82 1.606 -7.422 -5.948 675 HG1 THR 82 HG1 THR 82 3.433 -8.120 -6.680 676 HG21 THR 82 3HG2 THR 82 0.545 -9.142 -7.396 677 HG22 THR 82 1HG2 THR 82 0.638 -8.050 -8.787 678 HG23 THR 82 2HG2 THR 82 -0.427 -7.653 -7.419 679 H ALA 83 H ALA 83 1.997 -5.137 -4.984 680 HA ALA 83 HA ALA 83 -0.670 -4.444 -4.242 681 HB1 ALA 83 3HB ALA 83 0.321 -3.540 -2.238 682 HB2 ALA 83 1HB ALA 83 1.169 -5.032 -2.669 683 HB3 ALA 83 2HB ALA 83 1.930 -3.463 -3.005 684 H ARG 84 H ARG 84 1.818 -2.482 -5.786 685 HA ARG 84 HA ARG 84 0.644 0.136 -5.563 686 HB2 ARG 84 1HB ARG 84 2.538 -1.182 -7.543 687 HB3 ARG 84 2HB ARG 84 1.956 0.452 -7.838 688 HG2 ARG 84 1HG ARG 84 3.200 -0.312 -5.200 689 HG3 ARG 84 2HG ARG 84 4.202 0.105 -6.583 690 HD2 ARG 84 1HD ARG 84 1.930 1.970 -5.842 691 HD3 ARG 84 2HD ARG 84 3.332 1.948 -4.805 692 HE ARG 84 HE ARG 84 3.141 3.201 -7.370 693 HH11 ARG 84 1HH1 ARG 84 5.513 1.509 -5.460 694 HH12 ARG 84 2HH1 ARG 84 6.832 2.442 -6.099 695 HH21 ARG 84 1HH2 ARG 84 4.891 4.332 -8.187 696 HH22 ARG 84 2HH2 ARG 84 6.489 3.917 -7.648 697 H SER 85 H SER 85 0.492 -2.193 -8.240 698 HA SER 85 HA SER 85 -1.392 -0.791 -9.833 699 HB2 SER 85 1HB SER 85 0.134 -2.844 -10.366 700 HB3 SER 85 2HB SER 85 -1.270 -3.804 -9.854 701 HG SER 85 HG SER 85 -1.149 -3.209 -12.163 702 H LEU 86 H LEU 86 -1.890 -2.652 -6.971 703 HA LEU 86 HA LEU 86 -4.825 -2.756 -7.310 704 HB2 LEU 86 1HB LEU 86 -2.939 -3.832 -5.173 705 HB3 LEU 86 2HB LEU 86 -4.697 -4.002 -5.113 706 HG LEU 86 HG LEU 86 -2.979 -5.106 -7.385 707 HD11 LEU 86 1HD1 LEU 86 -3.302 -7.278 -6.366 708 HD12 LEU 86 2HD1 LEU 86 -4.234 -6.562 -5.037 709 HD13 LEU 86 3HD1 LEU 86 -2.497 -6.203 -5.215 710 HD21 LEU 86 3HD2 LEU 86 -5.903 -5.393 -6.594 711 HD22 LEU 86 1HD2 LEU 86 -5.088 -6.479 -7.746 712 HD23 LEU 86 2HD2 LEU 86 -5.231 -4.758 -8.118 713 H LEU 87 H LEU 87 -2.471 -1.104 -5.160 714 HA LEU 87 HA LEU 87 -4.164 0.223 -3.427 715 HB2 LEU 87 1HB LEU 87 -1.730 0.413 -3.298 716 HB3 LEU 87 2HB LEU 87 -1.671 1.216 -4.868 717 HG LEU 87 HG LEU 87 -3.115 3.090 -3.790 718 HD11 LEU 87 1HD1 LEU 87 -3.311 3.254 -1.502 719 HD12 LEU 87 2HD1 LEU 87 -1.869 2.302 -1.176 720 HD13 LEU 87 3HD1 LEU 87 -3.367 1.489 -1.643 721 HD21 LEU 87 3HD2 LEU 87 -0.708 3.198 -4.469 722 HD22 LEU 87 1HD2 LEU 87 -0.336 2.880 -2.767 723 HD23 LEU 87 2HD2 LEU 87 -1.276 4.308 -3.217 724 H ILE 88 H ILE 88 -3.157 1.498 -6.620 725 HA ILE 88 HA ILE 88 -5.037 3.664 -6.442 726 HB ILE 88 HB ILE 88 -4.346 4.457 -8.451 727 HG12 ILE 88 1HG1 ILE 88 -4.790 2.553 -9.935 728 HG13 ILE 88 2HG1 ILE 88 -3.216 3.277 -10.241 729 HG21 ILE 88 1HG2 ILE 88 -2.525 4.322 -6.739 730 HG22 ILE 88 2HG2 ILE 88 -1.865 2.942 -7.597 731 HG23 ILE 88 3HG2 ILE 88 -2.007 4.518 -8.421 732 HD11 ILE 88 3HD1 ILE 88 -3.276 0.794 -10.363 733 HD12 ILE 88 1HD1 ILE 88 -2.071 1.439 -9.245 734 HD13 ILE 88 2HD1 ILE 88 -3.596 0.757 -8.619 735 H LYS 89 H LYS 89 -5.546 0.457 -7.263 736 HA LYS 89 HA LYS 89 -7.621 0.661 -9.296 737 HB2 LYS 89 1HB LYS 89 -6.185 -1.389 -8.751 738 HB3 LYS 89 2HB LYS 89 -7.202 -1.602 -7.317 739 HG2 LYS 89 1HG LYS 89 -9.198 -1.825 -8.732 740 HG3 LYS 89 2HG LYS 89 -8.176 -1.719 -10.176 741 HD2 LYS 89 1HD LYS 89 -7.424 -3.725 -8.039 742 HD3 LYS 89 2HD LYS 89 -8.875 -4.072 -8.961 743 HE2 LYS 89 1HE LYS 89 -6.259 -3.363 -10.334 744 HE3 LYS 89 2HE LYS 89 -6.598 -5.015 -9.805 745 HZ1 LYS 89 3HZ LYS 89 -7.307 -4.277 -12.186 746 HZ2 LYS 89 1HZ LYS 89 -8.623 -3.658 -11.440 747 HZ3 LYS 89 2HZ LYS 89 -8.291 -5.250 -11.320 748 H GLU 90 H GLU 90 -7.716 0.251 -5.758 749 HA GLU 90 HA GLU 90 -10.654 0.288 -5.671 750 HB2 GLU 90 1HB GLU 90 -8.872 0.784 -3.289 751 HB3 GLU 90 2HB GLU 90 -10.469 0.075 -3.368 752 HG2 GLU 90 1HG GLU 90 -9.594 -1.954 -3.404 753 HG3 GLU 90 2HG GLU 90 -8.946 -1.654 -4.977 754 H LEU 91 H LEU 91 -8.049 2.450 -4.642 755 HA LEU 91 HA LEU 91 -9.588 4.707 -3.907 756 HB2 LEU 91 1HB LEU 91 -6.694 4.393 -4.842 757 HB3 LEU 91 2HB LEU 91 -7.357 5.867 -4.112 758 HG LEU 91 HG LEU 91 -7.236 3.148 -2.721 759 HD11 LEU 91 1HD1 LEU 91 -5.488 5.617 -2.504 760 HD12 LEU 91 2HD1 LEU 91 -5.025 3.967 -2.942 761 HD13 LEU 91 3HD1 LEU 91 -5.530 4.316 -1.289 762 HD21 LEU 91 3HD2 LEU 91 -8.663 5.628 -2.179 763 HD22 LEU 91 1HD2 LEU 91 -7.561 5.260 -0.877 764 HD23 LEU 91 2HD2 LEU 91 -8.780 4.059 -1.389 765 H SER 92 H SER 92 -8.720 3.615 -7.005 766 HA SER 92 HA SER 92 -8.736 5.687 -8.732 767 HB2 SER 92 1HB SER 92 -8.674 3.982 -10.123 768 HB3 SER 92 2HB SER 92 -9.263 2.904 -8.886 769 HG SER 92 HG SER 92 -10.626 2.801 -10.644 770 H LEU 93 H LEU 93 -11.559 4.523 -7.082 771 HA LEU 93 HA LEU 93 -13.589 5.861 -8.433 772 HB2 LEU 93 1HB LEU 93 -13.292 4.377 -5.986 773 HB3 LEU 93 2HB LEU 93 -14.198 5.822 -5.587 774 HG LEU 93 HG LEU 93 -15.777 4.173 -6.101 775 HD11 LEU 93 1HD1 LEU 93 -16.000 6.502 -7.186 776 HD12 LEU 93 2HD1 LEU 93 -17.084 5.198 -7.738 777 HD13 LEU 93 3HD1 LEU 93 -15.692 5.668 -8.726 778 HD21 LEU 93 3HD2 LEU 93 -14.191 3.588 -8.638 779 HD22 LEU 93 1HD2 LEU 93 -15.808 2.935 -8.287 780 HD23 LEU 93 2HD2 LEU 93 -14.439 2.527 -7.238 781 H ALA 94 H ALA 94 -12.316 7.035 -5.350 782 HA ALA 94 HA ALA 94 -13.276 9.735 -5.714 783 HB1 ALA 94 3HB ALA 94 -11.093 8.882 -3.815 784 HB2 ALA 94 1HB ALA 94 -12.238 10.213 -3.628 785 HB3 ALA 94 2HB ALA 94 -12.816 8.539 -3.505 786 H LYS 95 H LYS 95 -10.299 8.203 -6.734 787 HA LYS 95 HA LYS 95 -8.521 10.360 -7.004 788 HB2 LYS 95 1HB LYS 95 -7.277 8.781 -7.845 789 HB3 LYS 95 2HB LYS 95 -8.661 7.700 -7.927 790 HG2 LYS 95 1HG LYS 95 -9.110 8.533 -10.246 791 HG3 LYS 95 2HG LYS 95 -7.639 9.511 -10.127 792 HD2 LYS 95 1HD LYS 95 -6.378 7.781 -10.756 793 HD3 LYS 95 2HD LYS 95 -7.004 6.749 -9.482 794 HE2 LYS 95 1HE LYS 95 -8.949 6.143 -10.863 795 HE3 LYS 95 2HE LYS 95 -8.422 7.239 -12.132 796 HZ1 LYS 95 3HZ LYS 95 -6.489 5.897 -12.509 797 HZ2 LYS 95 1HZ LYS 95 -7.778 4.906 -12.548 798 HZ3 LYS 95 2HZ LYS 95 -6.804 4.910 -11.233 799 H ASP 96 H ASP 96 -11.135 9.453 -9.164 800 HA ASP 96 HA ASP 96 -11.983 10.333 -11.099 801 HB2 ASP 96 1HB ASP 96 -12.896 11.555 -9.030 802 HB3 ASP 96 2HB ASP 96 -11.969 12.944 -9.578 803 H CYS 97 H CYS 97 -9.262 10.121 -11.417 804 HA CYS 97 HA CYS 97 -8.498 12.009 -13.466 805 HB2 CYS 97 1HB CYS 97 -8.093 13.061 -11.013 806 HB3 CYS 97 2HB CYS 97 -6.623 12.085 -11.114 807 HG CYS 97 HG CYS 97 -7.865 14.286 -13.275 808 H SER 98 H SER 98 -5.770 11.652 -13.483 809 HA SER 98 HA SER 98 -5.353 8.956 -14.470 810 HB2 SER 98 1HB SER 98 -3.517 11.296 -13.820 811 HB3 SER 98 2HB SER 98 -2.900 9.750 -14.435 812 HG SER 98 HG SER 98 -3.317 11.219 -16.138 813 H GLU 99 H GLU 99 -3.797 7.381 -13.625 814 HA GLU 99 HA GLU 99 -4.128 6.672 -10.887 815 HB2 GLU 99 1HB GLU 99 -1.972 5.852 -12.865 816 HB3 GLU 99 2HB GLU 99 -2.173 5.141 -11.247 817 HG2 GLU 99 1HG GLU 99 -4.492 4.492 -11.817 818 HG3 GLU 99 2HG GLU 99 -4.311 5.164 -13.439 819 H ASP 100 H ASP 100 -1.765 8.780 -12.324 820 HA ASP 100 HA ASP 100 0.197 9.009 -10.329 821 HB2 ASP 100 1HB ASP 100 -0.941 10.866 -12.406 822 HB3 ASP 100 2HB ASP 100 0.082 11.556 -11.157 823 H GLU 101 H GLU 101 -3.189 10.121 -10.094 824 HA GLU 101 HA GLU 101 -2.884 12.058 -8.021 825 HB2 GLU 101 1HB GLU 101 -5.006 11.721 -9.204 826 HB3 GLU 101 2HB GLU 101 -5.095 10.063 -8.663 827 HG2 GLU 101 1HG GLU 101 -6.095 10.594 -6.796 828 HG3 GLU 101 2HG GLU 101 -4.803 11.651 -6.279 829 H ILE 102 H ILE 102 -3.515 8.538 -7.768 830 HA ILE 102 HA ILE 102 -3.008 8.514 -4.873 831 HB ILE 102 HB ILE 102 -3.636 6.316 -6.801 832 HG12 ILE 102 1HG1 ILE 102 -5.626 7.113 -4.719 833 HG13 ILE 102 2HG1 ILE 102 -5.363 8.363 -5.913 834 HG21 ILE 102 1HG2 ILE 102 -3.581 6.312 -3.745 835 HG22 ILE 102 2HG2 ILE 102 -4.204 5.000 -4.772 836 HG23 ILE 102 3HG2 ILE 102 -2.493 5.414 -4.805 837 HD11 ILE 102 3HD1 ILE 102 -6.000 5.485 -6.636 838 HD12 ILE 102 1HD1 ILE 102 -7.135 6.828 -6.592 839 HD13 ILE 102 2HD1 ILE 102 -5.768 6.844 -7.740 840 H GLU 103 H GLU 103 -1.332 7.332 -7.822 841 HA GLU 103 HA GLU 103 0.766 5.927 -6.535 842 HB2 GLU 103 1HB GLU 103 0.293 7.080 -9.225 843 HB3 GLU 103 2HB GLU 103 1.990 6.933 -8.794 844 HG2 GLU 103 1HG GLU 103 1.913 4.622 -8.531 845 HG3 GLU 103 2HG GLU 103 0.177 4.583 -8.306 846 H SER 104 H SER 104 0.625 9.444 -7.497 847 HA SER 104 HA SER 104 3.190 10.008 -6.228 848 HB2 SER 104 1HB SER 104 1.020 11.946 -7.100 849 HB3 SER 104 2HB SER 104 2.647 12.366 -6.570 850 HG SER 104 HG SER 104 3.468 11.098 -8.341 851 H ASP 105 H ASP 105 -0.225 10.080 -5.066 852 HA ASP 105 HA ASP 105 0.273 11.641 -2.757 853 HB2 ASP 105 1HB ASP 105 -1.839 9.791 -3.609 854 HB3 ASP 105 2HB ASP 105 -1.550 9.701 -1.890 855 H LEU 106 H LEU 106 1.426 8.409 -3.394 856 HA LEU 106 HA LEU 106 1.970 7.579 -0.735 857 HB2 LEU 106 1HB LEU 106 3.646 7.099 -3.239 858 HB3 LEU 106 2HB LEU 106 3.727 6.165 -1.749 859 HG LEU 106 HG LEU 106 1.312 6.359 -3.593 860 HD11 LEU 106 1HD1 LEU 106 1.776 4.118 -4.268 861 HD12 LEU 106 2HD1 LEU 106 3.103 3.984 -3.090 862 HD13 LEU 106 3HD1 LEU 106 3.255 5.067 -4.489 863 HD21 LEU 106 3HD2 LEU 106 0.051 5.465 -1.983 864 HD22 LEU 106 1HD2 LEU 106 1.354 5.612 -0.831 865 HD23 LEU 106 2HD2 LEU 106 1.203 4.129 -1.745 866 H LYS 107 H LYS 107 3.777 9.858 -2.777 867 HA LYS 107 HA LYS 107 5.987 10.165 -0.907 868 HB2 LYS 107 1HB LYS 107 6.782 11.909 -2.222 869 HB3 LYS 107 2HB LYS 107 6.079 10.755 -3.332 870 HG2 LYS 107 1HG LYS 107 4.978 12.423 -4.289 871 HG3 LYS 107 2HG LYS 107 3.973 12.572 -2.855 872 HD2 LYS 107 1HD LYS 107 6.573 14.103 -3.223 873 HD3 LYS 107 2HD LYS 107 4.979 14.680 -3.723 874 HE2 LYS 107 1HE LYS 107 4.257 14.169 -1.264 875 HE3 LYS 107 2HE LYS 107 5.985 14.158 -0.908 876 HZ1 LYS 107 3HZ LYS 107 6.114 16.423 -1.746 877 HZ2 LYS 107 1HZ LYS 107 4.964 16.361 -0.592 878 HZ3 LYS 107 2HZ LYS 107 4.531 16.433 -2.167 879 H LYS 108 H LYS 108 2.745 11.431 -0.944 880 HA LYS 108 HA LYS 108 3.278 13.525 1.115 881 HB2 LYS 108 1HB LYS 108 0.765 12.669 -0.400 882 HB3 LYS 108 2HB LYS 108 0.727 13.760 0.988 883 HG2 LYS 108 1HG LYS 108 2.328 15.267 -0.202 884 HG3 LYS 108 2HG LYS 108 2.220 14.205 -1.615 885 HD2 LYS 108 1HD LYS 108 -0.478 14.873 -0.770 886 HD3 LYS 108 2HD LYS 108 0.479 16.361 -0.813 887 HE2 LYS 108 1HE LYS 108 1.269 15.669 -3.130 888 HE3 LYS 108 2HE LYS 108 0.122 14.320 -3.042 889 HZ1 LYS 108 3HZ LYS 108 -0.815 16.281 -4.191 890 HZ2 LYS 108 1HZ LYS 108 -0.616 17.203 -2.863 891 HZ3 LYS 108 2HZ LYS 108 -1.674 15.957 -2.841 892 H ILE 109 H ILE 109 2.072 10.240 0.939 893 HA ILE 109 HA ILE 109 1.140 10.210 3.735 894 HB ILE 109 HB ILE 109 1.545 7.953 1.764 895 HG12 ILE 109 1HG1 ILE 109 -1.180 9.134 2.500 896 HG13 ILE 109 2HG1 ILE 109 -0.277 9.823 1.184 897 HG21 ILE 109 1HG2 ILE 109 1.345 7.439 4.330 898 HG22 ILE 109 2HG2 ILE 109 -0.357 7.859 4.121 899 HG23 ILE 109 3HG2 ILE 109 0.365 6.541 3.189 900 HD11 ILE 109 3HD1 ILE 109 -0.299 7.755 -0.075 901 HD12 ILE 109 1HD1 ILE 109 -1.004 6.869 1.279 902 HD13 ILE 109 2HD1 ILE 109 -1.949 8.118 0.458 903 H PHE 110 H PHE 110 3.609 8.207 2.008 904 HA PHE 110 HA PHE 110 4.850 7.425 4.510 905 HB2 PHE 110 1HB PHE 110 5.940 6.931 1.762 906 HB3 PHE 110 2HB PHE 110 6.175 5.966 3.186 907 HD1 PHE 110 HD2 PHE 110 3.298 5.573 4.133 908 HD2 PHE 110 HD1 PHE 110 5.102 5.444 0.203 909 HE1 PHE 110 HE2 PHE 110 1.480 4.131 3.306 910 HE2 PHE 110 HE1 PHE 110 3.306 3.932 -0.563 911 HZ PHE 110 HZ PHE 110 1.445 3.324 0.978 912 H ASN 111 H ASN 111 5.260 10.108 2.528 913 HA ASN 111 HA ASN 111 6.724 11.820 2.324 914 HB2 ASN 111 1HB ASN 111 6.104 11.794 4.770 915 HB3 ASN 111 2HB ASN 111 7.709 11.103 5.063 916 HD21 ASN 111 2HD2 ASN 111 9.114 12.726 5.749 917 HD22 ASN 111 1HD2 ASN 111 9.051 14.365 5.117 918 H LEU 112 H LEU 112 7.623 10.149 0.705 919 HA LEU 112 HA LEU 112 10.341 9.187 1.193 920 HB2 LEU 112 1HB LEU 112 8.750 9.358 -1.401 921 HB3 LEU 112 2HB LEU 112 10.263 8.489 -1.158 922 HG LEU 112 HG LEU 112 8.834 6.734 -1.040 923 HD11 LEU 112 1HD1 LEU 112 8.324 6.010 1.241 924 HD12 LEU 112 2HD1 LEU 112 8.620 7.627 1.860 925 HD13 LEU 112 3HD1 LEU 112 9.952 6.696 1.140 926 HD21 LEU 112 3HD2 LEU 112 6.699 8.396 0.277 927 HD22 LEU 112 1HD2 LEU 112 6.579 6.760 -0.399 928 HD23 LEU 112 2HD2 LEU 112 6.863 8.103 -1.479 929 H ALA 113 H ALA 113 8.955 11.978 -0.449 930 HA ALA 113 HA ALA 113 11.549 13.344 -0.589 931 HB1 ALA 113 3HB ALA 113 9.827 12.824 -3.057 932 HB2 ALA 113 1HB ALA 113 11.231 13.910 -2.989 933 HB3 ALA 113 2HB ALA 113 11.458 12.168 -2.744 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -18.841 -15.907 10.354 2 H2 GLY 1 2H GLY 1 -20.311 -15.620 11.014 3 H3 GLY 1 3H GLY 1 -19.302 -14.371 10.701 4 HA2 GLY 1 1HA GLY 1 -19.056 -14.614 12.985 5 HA3 GLY 1 2HA GLY 1 -19.152 -16.373 12.828 6 H SER 2 H SER 2 -17.019 -13.571 12.070 7 HA SER 2 HA SER 2 -14.701 -15.227 12.808 8 HB2 SER 2 1HB SER 2 -13.397 -14.696 10.868 9 HB3 SER 2 2HB SER 2 -14.900 -15.444 10.316 10 HG SER 2 HG SER 2 -14.165 -13.453 9.198 11 H HIS 3 H HIS 3 -12.837 -14.010 13.285 12 HA HIS 3 HA HIS 3 -13.057 -11.048 13.591 13 HB2 HIS 3 1HB HIS 3 -12.194 -11.281 15.959 14 HB3 HIS 3 2HB HIS 3 -13.847 -11.776 15.676 15 HD1 HIS 3 HD1 HIS 3 -14.451 -13.962 16.864 16 HD2 HIS 3 HD2 HIS 3 -10.372 -13.645 15.789 17 HE1 HIS 3 HE1 HIS 3 -13.301 -16.103 17.721 18 HE2 HIS 3 HE2 HIS 3 -10.822 -15.910 17.060 19 H MET 4 H MET 4 -11.388 -13.207 12.063 20 HA MET 4 HA MET 4 -8.926 -11.676 11.975 21 HB2 MET 4 1HB MET 4 -7.416 -13.566 12.456 22 HB3 MET 4 2HB MET 4 -8.358 -13.081 13.849 23 HG2 MET 4 1HG MET 4 -8.944 -15.174 14.172 24 HG3 MET 4 2HG MET 4 -9.896 -15.150 12.699 25 HE1 MET 4 3HE MET 4 -8.117 -18.579 13.065 26 HE2 MET 4 1HE MET 4 -7.191 -17.654 14.266 27 HE3 MET 4 2HE MET 4 -8.955 -17.465 14.164 28 H GLY 5 H GLY 5 -7.942 -11.840 10.017 29 HA2 GLY 5 1HA GLY 5 -7.328 -13.417 8.133 30 HA3 GLY 5 2HA GLY 5 -9.052 -13.727 7.953 31 H SER 6 H SER 6 -10.435 -11.947 7.318 32 HA SER 6 HA SER 6 -9.131 -9.677 5.877 33 HB2 SER 6 1HB SER 6 -11.158 -9.982 4.249 34 HB3 SER 6 2HB SER 6 -9.694 -10.940 4.036 35 HG SER 6 HG SER 6 -10.699 -12.704 4.915 36 H VAL 7 H VAL 7 -10.366 -7.810 5.652 37 HA VAL 7 HA VAL 7 -11.882 -6.966 7.908 38 HB VAL 7 HB VAL 7 -10.593 -5.455 6.504 39 HG11 VAL 7 1HG1 VAL 7 -12.766 -5.728 4.394 40 HG12 VAL 7 2HG1 VAL 7 -11.318 -4.714 4.323 41 HG13 VAL 7 3HG1 VAL 7 -11.167 -6.474 4.301 42 HG21 VAL 7 3HG2 VAL 7 -12.432 -4.490 7.869 43 HG22 VAL 7 1HG2 VAL 7 -12.100 -3.558 6.402 44 HG23 VAL 7 2HG2 VAL 7 -13.521 -4.609 6.467 45 H GLY 8 H GLY 8 -13.001 -8.282 4.850 46 HA2 GLY 8 1HA GLY 8 -15.153 -9.607 5.195 47 HA3 GLY 8 2HA GLY 8 -15.879 -8.076 5.680 48 H LEU 9 H LEU 9 -14.577 -6.413 3.690 49 HA LEU 9 HA LEU 9 -16.202 -7.062 1.320 50 HB2 LEU 9 1HB LEU 9 -15.602 -4.831 0.555 51 HB3 LEU 9 2HB LEU 9 -16.331 -4.810 2.134 52 HG LEU 9 HG LEU 9 -13.384 -4.927 2.310 53 HD11 LEU 9 1HD1 LEU 9 -14.716 -2.686 0.767 54 HD12 LEU 9 2HD1 LEU 9 -13.266 -3.625 0.339 55 HD13 LEU 9 3HD1 LEU 9 -13.217 -2.447 1.672 56 HD21 LEU 9 3HD2 LEU 9 -15.252 -2.798 3.339 57 HD22 LEU 9 1HD2 LEU 9 -13.638 -3.256 3.929 58 HD23 LEU 9 2HD2 LEU 9 -15.003 -4.356 4.160 59 H ARG 10 H ARG 10 -14.894 -6.143 -0.740 60 HA ARG 10 HA ARG 10 -12.635 -8.095 -1.196 61 HB2 ARG 10 1HB ARG 10 -14.957 -7.215 -2.947 62 HB3 ARG 10 2HB ARG 10 -13.517 -7.954 -3.639 63 HG2 ARG 10 1HG ARG 10 -14.660 -9.422 -1.298 64 HG3 ARG 10 2HG ARG 10 -15.720 -9.345 -2.700 65 HD2 ARG 10 1HD ARG 10 -12.825 -10.069 -3.127 66 HD3 ARG 10 2HD ARG 10 -13.903 -11.278 -2.404 67 HE ARG 10 HE ARG 10 -15.341 -10.418 -4.586 68 HH11 ARG 10 1HH1 ARG 10 -12.139 -11.799 -4.340 69 HH12 ARG 10 2HH1 ARG 10 -12.275 -12.608 -5.879 70 HH21 ARG 10 1HH2 ARG 10 -15.468 -11.481 -6.507 71 HH22 ARG 10 2HH2 ARG 10 -14.124 -12.426 -7.068 72 H GLU 11 H GLU 11 -13.821 -5.328 -2.957 73 HA GLU 11 HA GLU 11 -11.377 -3.724 -2.607 74 HB2 GLU 11 1HB GLU 11 -11.741 -5.443 -4.984 75 HB3 GLU 11 2HB GLU 11 -11.405 -3.764 -5.374 76 HG2 GLU 11 1HG GLU 11 -9.278 -3.830 -4.684 77 HG3 GLU 11 2HG GLU 11 -9.576 -4.858 -3.306 78 H ILE 12 H ILE 12 -14.437 -4.173 -4.382 79 HA ILE 12 HA ILE 12 -14.827 -1.543 -5.244 80 HB ILE 12 HB ILE 12 -16.190 -3.326 -6.067 81 HG12 ILE 12 1HG1 ILE 12 -18.412 -2.297 -5.999 82 HG13 ILE 12 2HG1 ILE 12 -17.970 -1.318 -4.606 83 HG21 ILE 12 1HG2 ILE 12 -16.438 -4.660 -3.939 84 HG22 ILE 12 2HG2 ILE 12 -17.643 -3.479 -3.395 85 HG23 ILE 12 3HG2 ILE 12 -17.940 -4.442 -4.845 86 HD11 ILE 12 3HD1 ILE 12 -16.568 -1.131 -7.311 87 HD12 ILE 12 1HD1 ILE 12 -17.933 -0.107 -6.816 88 HD13 ILE 12 2HD1 ILE 12 -16.404 -0.010 -5.939 89 H ILE 13 H ILE 13 -14.917 0.256 -4.242 90 HA ILE 13 HA ILE 13 -16.420 0.666 -1.745 91 HB ILE 13 HB ILE 13 -14.518 1.924 -0.815 92 HG12 ILE 13 1HG1 ILE 13 -12.184 0.820 -1.610 93 HG13 ILE 13 2HG1 ILE 13 -12.990 0.864 -3.162 94 HG21 ILE 13 1HG2 ILE 13 -15.219 -0.397 -0.124 95 HG22 ILE 13 2HG2 ILE 13 -13.795 -0.983 -1.014 96 HG23 ILE 13 3HG2 ILE 13 -13.619 0.139 0.362 97 HD11 ILE 13 3HD1 ILE 13 -12.098 3.109 -1.395 98 HD12 ILE 13 1HD1 ILE 13 -11.949 2.924 -3.150 99 HD13 ILE 13 2HD1 ILE 13 -13.493 3.396 -2.463 100 H SER 14 H SER 14 -16.433 2.999 -1.133 101 HA SER 14 HA SER 14 -16.584 4.812 -3.504 102 HB2 SER 14 1HB SER 14 -18.328 6.027 -2.220 103 HB3 SER 14 2HB SER 14 -18.790 4.378 -2.658 104 HG SER 14 HG SER 14 -19.320 4.575 -0.541 105 H GLU 15 H GLU 15 -16.520 7.183 -2.695 106 HA GLU 15 HA GLU 15 -13.916 7.799 -1.953 107 HB2 GLU 15 1HB GLU 15 -15.778 9.266 -2.996 108 HB3 GLU 15 2HB GLU 15 -16.281 9.586 -1.336 109 HG2 GLU 15 1HG GLU 15 -13.633 10.207 -1.113 110 HG3 GLU 15 2HG GLU 15 -13.828 10.449 -2.841 111 H GLU 16 H GLU 16 -16.598 7.163 0.221 112 HA GLU 16 HA GLU 16 -15.580 8.197 2.693 113 HB2 GLU 16 1HB GLU 16 -17.348 5.802 2.050 114 HB3 GLU 16 2HB GLU 16 -16.833 6.191 3.698 115 HG2 GLU 16 1HG GLU 16 -17.774 8.532 3.322 116 HG3 GLU 16 2HG GLU 16 -18.541 7.895 1.862 117 H ASP 17 H ASP 17 -15.173 4.854 1.369 118 HA ASP 17 HA ASP 17 -13.391 3.985 3.415 119 HB2 ASP 17 1HB ASP 17 -13.543 3.028 0.576 120 HB3 ASP 17 2HB ASP 17 -12.982 2.114 1.957 121 H VAL 18 H VAL 18 -12.834 5.548 0.244 122 HA VAL 18 HA VAL 18 -9.993 5.292 0.095 123 HB VAL 18 HB VAL 18 -11.702 7.569 -0.934 124 HG11 VAL 18 1HG1 VAL 18 -9.353 7.255 -2.512 125 HG12 VAL 18 2HG1 VAL 18 -9.853 8.638 -1.525 126 HG13 VAL 18 3HG1 VAL 18 -8.816 7.390 -0.839 127 HG21 VAL 18 3HG2 VAL 18 -11.312 6.291 -3.130 128 HG22 VAL 18 1HG2 VAL 18 -10.743 4.957 -2.129 129 HG23 VAL 18 2HG2 VAL 18 -12.402 5.555 -1.966 130 H LYS 19 H LYS 19 -11.957 7.898 1.600 131 HA LYS 19 HA LYS 19 -9.710 9.328 2.667 132 HB2 LYS 19 1HB LYS 19 -12.505 9.251 3.871 133 HB3 LYS 19 2HB LYS 19 -11.316 10.535 4.008 134 HG2 LYS 19 1HG LYS 19 -11.820 10.144 1.177 135 HG3 LYS 19 2HG LYS 19 -13.372 10.110 2.022 136 HD2 LYS 19 1HD LYS 19 -12.955 12.312 1.273 137 HD3 LYS 19 2HD LYS 19 -12.869 12.300 3.036 138 HE2 LYS 19 1HE LYS 19 -10.226 11.760 1.945 139 HE3 LYS 19 2HE LYS 19 -10.901 13.130 1.065 140 HZ1 LYS 19 3HZ LYS 19 -9.726 13.888 3.033 141 HZ2 LYS 19 1HZ LYS 19 -10.638 12.965 4.023 142 HZ3 LYS 19 2HZ LYS 19 -11.313 14.217 3.218 143 H GLN 20 H GLN 20 -11.488 6.568 3.965 144 HA GLN 20 HA GLN 20 -10.257 6.590 6.598 145 HB2 GLN 20 1HB GLN 20 -12.371 5.532 6.314 146 HB3 GLN 20 2HB GLN 20 -11.772 4.466 5.044 147 HG2 GLN 20 1HG GLN 20 -10.302 3.300 6.630 148 HG3 GLN 20 2HG GLN 20 -10.759 4.424 7.919 149 HE21 GLN 20 2HE2 GLN 20 -11.015 1.589 8.157 150 HE22 GLN 20 1HE2 GLN 20 -12.741 1.248 8.234 151 H VAL 21 H VAL 21 -9.633 4.546 3.677 152 HA VAL 21 HA VAL 21 -7.450 3.143 4.817 153 HB VAL 21 HB VAL 21 -8.599 2.333 2.844 154 HG11 VAL 21 1HG1 VAL 21 -8.174 3.153 0.637 155 HG12 VAL 21 2HG1 VAL 21 -8.907 4.404 1.629 156 HG13 VAL 21 3HG1 VAL 21 -7.179 4.492 1.291 157 HG21 VAL 21 3HG2 VAL 21 -5.728 2.800 2.060 158 HG22 VAL 21 1HG2 VAL 21 -6.181 1.663 3.350 159 HG23 VAL 21 2HG2 VAL 21 -6.758 1.416 1.685 160 H TYR 22 H TYR 22 -7.370 6.218 2.958 161 HA TYR 22 HA TYR 22 -4.566 6.589 2.943 162 HB2 TYR 22 1HB TYR 22 -6.960 8.370 2.833 163 HB3 TYR 22 2HB TYR 22 -5.460 9.126 3.312 164 HD1 TYR 22 HD2 TYR 22 -6.768 6.801 0.651 165 HD2 TYR 22 HD1 TYR 22 -3.995 9.936 1.687 166 HE1 TYR 22 HE2 TYR 22 -6.077 7.006 -1.735 167 HE2 TYR 22 HE1 TYR 22 -3.317 10.118 -0.697 168 HH TYR 22 HH TYR 22 -3.966 9.578 -2.867 169 H SER 23 H SER 23 -6.848 7.104 5.613 170 HA SER 23 HA SER 23 -5.006 8.350 7.449 171 HB2 SER 23 1HB SER 23 -7.782 7.684 7.397 172 HB3 SER 23 2HB SER 23 -7.091 6.897 8.819 173 HG SER 23 HG SER 23 -7.005 9.653 8.090 174 H ILE 24 H ILE 24 -5.574 4.984 6.594 175 HA ILE 24 HA ILE 24 -4.396 3.806 8.985 176 HB ILE 24 HB ILE 24 -4.719 2.527 6.238 177 HG12 ILE 24 1HG1 ILE 24 -6.674 2.481 8.586 178 HG13 ILE 24 2HG1 ILE 24 -6.897 3.392 7.098 179 HG21 ILE 24 1HG2 ILE 24 -3.196 1.313 7.740 180 HG22 ILE 24 2HG2 ILE 24 -4.410 1.339 9.033 181 HG23 ILE 24 3HG2 ILE 24 -4.697 0.419 7.547 182 HD11 ILE 24 3HD1 ILE 24 -8.205 1.500 6.780 183 HD12 ILE 24 1HD1 ILE 24 -6.736 1.170 5.833 184 HD13 ILE 24 2HD1 ILE 24 -6.973 0.394 7.415 185 H LEU 25 H LEU 25 -3.195 4.477 5.670 186 HA LEU 25 HA LEU 25 -0.471 3.735 6.440 187 HB2 LEU 25 1HB LEU 25 -0.007 4.674 4.089 188 HB3 LEU 25 2HB LEU 25 -0.665 3.075 4.305 189 HG LEU 25 HG LEU 25 -2.566 5.354 3.808 190 HD11 LEU 25 1HD1 LEU 25 -2.314 5.355 1.516 191 HD12 LEU 25 2HD1 LEU 25 -1.447 3.806 1.455 192 HD13 LEU 25 3HD1 LEU 25 -0.615 5.248 2.002 193 HD21 LEU 25 3HD2 LEU 25 -3.371 2.996 4.312 194 HD22 LEU 25 1HD2 LEU 25 -2.419 2.427 2.956 195 HD23 LEU 25 2HD2 LEU 25 -3.786 3.538 2.675 196 H LYS 26 H LYS 26 -2.234 6.625 6.636 197 HA LYS 26 HA LYS 26 -0.220 8.587 6.317 198 HB2 LYS 26 1HB LYS 26 -2.911 8.535 7.174 199 HB3 LYS 26 2HB LYS 26 -2.054 9.141 8.567 200 HG2 LYS 26 1HG LYS 26 -2.694 11.030 7.258 201 HG3 LYS 26 2HG LYS 26 -0.947 10.840 7.048 202 HD2 LYS 26 1HD LYS 26 -1.682 9.429 4.892 203 HD3 LYS 26 2HD LYS 26 -3.203 10.276 5.082 204 HE2 LYS 26 1HE LYS 26 -0.439 11.553 4.754 205 HE3 LYS 26 2HE LYS 26 -1.654 11.368 3.487 206 HZ1 LYS 26 3HZ LYS 26 -1.669 13.225 5.761 207 HZ2 LYS 26 1HZ LYS 26 -3.112 12.717 5.181 208 HZ3 LYS 26 2HZ LYS 26 -2.067 13.501 4.205 209 H GLU 27 H GLU 27 -0.454 6.274 8.849 210 HA GLU 27 HA GLU 27 1.363 7.755 10.644 211 HB2 GLU 27 1HB GLU 27 -0.498 6.371 11.502 212 HB3 GLU 27 2HB GLU 27 0.271 4.917 10.869 213 HG2 GLU 27 1HG GLU 27 1.961 4.936 12.451 214 HG3 GLU 27 2HG GLU 27 1.991 6.690 12.582 215 H LYS 28 H LYS 28 3.488 7.744 10.391 216 HA LYS 28 HA LYS 28 4.874 5.765 8.700 217 HB2 LYS 28 1HB LYS 28 5.675 8.356 10.058 218 HB3 LYS 28 2HB LYS 28 6.899 7.229 9.502 219 HG2 LYS 28 1HG LYS 28 6.582 8.843 7.794 220 HG3 LYS 28 2HG LYS 28 6.051 7.269 7.227 221 HD2 LYS 28 1HD LYS 28 4.672 9.105 6.431 222 HD3 LYS 28 2HD LYS 28 3.713 7.937 7.336 223 HE2 LYS 28 1HE LYS 28 3.382 9.390 9.132 224 HE3 LYS 28 2HE LYS 28 4.827 10.350 8.796 225 HZ1 LYS 28 3HZ LYS 28 3.676 11.614 7.291 226 HZ2 LYS 28 1HZ LYS 28 2.372 11.131 8.152 227 HZ3 LYS 28 2HZ LYS 28 2.740 10.372 6.754 228 H ASP 29 H ASP 29 4.022 5.875 11.921 229 HA ASP 29 HA ASP 29 6.360 4.611 13.089 230 HB2 ASP 29 1HB ASP 29 4.241 6.123 14.045 231 HB3 ASP 29 2HB ASP 29 3.789 4.516 14.585 232 H ILE 30 H ILE 30 4.328 3.284 10.999 233 HA ILE 30 HA ILE 30 3.718 0.706 12.225 234 HB ILE 30 HB ILE 30 2.773 0.110 10.070 235 HG12 ILE 30 1HG1 ILE 30 2.684 2.159 8.379 236 HG13 ILE 30 2HG1 ILE 30 4.197 2.595 9.132 237 HG21 ILE 30 1HG2 ILE 30 1.033 1.871 9.916 238 HG22 ILE 30 2HG2 ILE 30 1.365 1.371 11.583 239 HG23 ILE 30 3HG2 ILE 30 1.991 2.916 10.962 240 HD11 ILE 30 3HD1 ILE 30 5.250 0.544 8.325 241 HD12 ILE 30 1HD1 ILE 30 3.674 -0.169 7.950 242 HD13 ILE 30 2HD1 ILE 30 4.300 1.169 6.985 243 H SER 31 H SER 31 6.555 1.965 10.932 244 HA SER 31 HA SER 31 7.652 0.173 9.157 245 HB2 SER 31 1HB SER 31 9.883 0.908 10.160 246 HB3 SER 31 2HB SER 31 8.804 2.158 9.523 247 HG SER 31 HG SER 31 9.680 2.728 11.573 248 H VAL 32 H VAL 32 7.514 -1.984 9.305 249 HA VAL 32 HA VAL 32 7.694 -3.409 11.748 250 HB VAL 32 HB VAL 32 6.463 -4.134 9.721 251 HG11 VAL 32 1HG1 VAL 32 8.634 -3.779 8.209 252 HG12 VAL 32 2HG1 VAL 32 8.864 -5.495 8.568 253 HG13 VAL 32 3HG1 VAL 32 7.359 -4.932 7.810 254 HG21 VAL 32 3HG2 VAL 32 6.479 -6.292 10.346 255 HG22 VAL 32 1HG2 VAL 32 8.251 -6.408 10.537 256 HG23 VAL 32 2HG2 VAL 32 7.235 -5.595 11.750 257 H ASP 33 H ASP 33 9.206 -4.908 12.526 258 HA ASP 33 HA ASP 33 11.965 -4.109 12.499 259 HB2 ASP 33 1HB ASP 33 10.262 -6.182 13.795 260 HB3 ASP 33 2HB ASP 33 11.893 -6.734 13.469 261 H SER 34 H SER 34 13.820 -5.136 11.622 262 HA SER 34 HA SER 34 13.539 -6.222 8.990 263 HB2 SER 34 1HB SER 34 16.134 -6.832 9.725 264 HB3 SER 34 2HB SER 34 15.588 -5.344 8.960 265 HG SER 34 HG SER 34 15.742 -4.282 10.820 266 H THR 35 H THR 35 14.180 -7.812 12.094 267 HA THR 35 HA THR 35 14.645 -10.471 10.990 268 HB THR 35 HB THR 35 13.686 -9.654 13.763 269 HG1 THR 35 HG1 THR 35 15.775 -8.908 13.142 270 HG21 THR 35 3HG2 THR 35 13.193 -12.039 13.411 271 HG22 THR 35 1HG2 THR 35 14.596 -11.864 14.470 272 HG23 THR 35 2HG2 THR 35 14.831 -12.303 12.764 273 H THR 36 H THR 36 11.736 -8.839 12.267 274 HA THR 36 HA THR 36 9.933 -11.028 11.696 275 HB THR 36 HB THR 36 9.341 -8.095 12.243 276 HG1 THR 36 HG1 THR 36 9.025 -8.932 14.366 277 HG21 THR 36 3HG2 THR 36 7.372 -9.153 11.372 278 HG22 THR 36 1HG2 THR 36 7.174 -9.042 13.125 279 HG23 THR 36 2HG2 THR 36 7.611 -10.603 12.382 280 H TRP 37 H TRP 37 11.043 -8.257 9.787 281 HA TRP 37 HA TRP 37 9.068 -7.986 7.944 282 HB2 TRP 37 1HB TRP 37 10.931 -6.499 7.900 283 HB3 TRP 37 2HB TRP 37 12.067 -7.805 7.599 284 HD1 TRP 37 HD1 TRP 37 13.066 -7.183 5.341 285 HE1 TRP 37 HE1 TRP 37 12.151 -6.918 2.945 286 HE3 TRP 37 HE3 TRP 37 8.028 -7.159 6.376 287 HZ2 TRP 37 HZ2 TRP 37 9.559 -6.915 1.642 288 HZ3 TRP 37 HZ3 TRP 37 6.420 -7.271 4.564 289 HH2 TRP 37 HH2 TRP 37 7.136 -7.169 2.185 290 H ASN 38 H ASN 38 11.785 -10.266 7.503 291 HA ASN 38 HA ASN 38 10.960 -11.399 5.067 292 HB2 ASN 38 1HB ASN 38 13.147 -11.696 6.280 293 HB3 ASN 38 2HB ASN 38 12.329 -12.803 7.396 294 HD21 ASN 38 2HD2 ASN 38 13.249 -14.802 6.836 295 HD22 ASN 38 1HD2 ASN 38 13.245 -15.406 5.182 296 H ARG 39 H ARG 39 9.678 -11.975 8.241 297 HA ARG 39 HA ARG 39 8.029 -14.330 7.585 298 HB2 ARG 39 1HB ARG 39 7.550 -12.527 9.977 299 HB3 ARG 39 2HB ARG 39 7.245 -14.235 9.804 300 HG2 ARG 39 1HG ARG 39 9.937 -12.855 10.169 301 HG3 ARG 39 2HG ARG 39 9.107 -13.887 11.320 302 HD2 ARG 39 1HD ARG 39 10.311 -14.764 8.656 303 HD3 ARG 39 2HD ARG 39 10.998 -15.027 10.264 304 HE ARG 39 HE ARG 39 8.338 -16.115 10.148 305 HH11 ARG 39 1HH1 ARG 39 11.556 -16.873 9.029 306 HH12 ARG 39 2HH1 ARG 39 11.239 -18.585 8.972 307 HH21 ARG 39 1HH2 ARG 39 7.977 -18.289 10.054 308 HH22 ARG 39 2HH2 ARG 39 9.248 -19.360 9.545 309 H ARG 40 H ARG 40 7.489 -10.870 8.074 310 HA ARG 40 HA ARG 40 4.670 -10.766 7.601 311 HB2 ARG 40 1HB ARG 40 6.704 -8.647 6.971 312 HB3 ARG 40 2HB ARG 40 4.976 -8.397 7.112 313 HG2 ARG 40 1HG ARG 40 6.367 -9.605 9.462 314 HG3 ARG 40 2HG ARG 40 6.705 -7.917 9.051 315 HD2 ARG 40 1HD ARG 40 4.593 -7.212 9.524 316 HD3 ARG 40 2HD ARG 40 3.837 -8.767 9.143 317 HE ARG 40 HE ARG 40 5.177 -9.514 11.315 318 HH11 ARG 40 1HH1 ARG 40 3.144 -6.709 10.982 319 HH12 ARG 40 2HH1 ARG 40 2.705 -6.712 12.672 320 HH21 ARG 40 1HH2 ARG 40 4.626 -9.469 13.442 321 HH22 ARG 40 2HH2 ARG 40 3.543 -8.248 14.025 322 H TYR 41 H TYR 41 7.382 -10.718 5.366 323 HA TYR 41 HA TYR 41 6.180 -9.956 2.983 324 HB2 TYR 41 1HB TYR 41 8.618 -10.743 3.558 325 HB3 TYR 41 2HB TYR 41 8.063 -12.323 3.031 326 HD1 TYR 41 HD1 TYR 41 6.710 -12.190 0.601 327 HD2 TYR 41 HD2 TYR 41 9.746 -9.472 2.010 328 HE1 TYR 41 HE1 TYR 41 7.108 -11.404 -1.723 329 HE2 TYR 41 HE2 TYR 41 10.156 -8.712 -0.330 330 HH TYR 41 HH TYR 41 9.574 -8.943 -2.519 331 H ARG 42 H ARG 42 5.929 -13.065 4.630 332 HA ARG 42 HA ARG 42 4.433 -14.496 2.604 333 HB2 ARG 42 1HB ARG 42 4.556 -14.964 5.621 334 HB3 ARG 42 2HB ARG 42 3.870 -16.077 4.457 335 HG2 ARG 42 1HG ARG 42 6.785 -15.167 4.463 336 HG3 ARG 42 2HG ARG 42 6.199 -16.647 5.213 337 HD2 ARG 42 1HD ARG 42 5.942 -15.994 2.244 338 HD3 ARG 42 2HD ARG 42 7.198 -17.013 2.953 339 HE ARG 42 HE ARG 42 4.948 -18.239 3.873 340 HH11 ARG 42 1HH1 ARG 42 5.809 -17.353 0.604 341 HH12 ARG 42 2HH1 ARG 42 4.907 -18.675 -0.086 342 HH21 ARG 42 1HH2 ARG 42 3.824 -19.889 2.950 343 HH22 ARG 42 2HH2 ARG 42 3.817 -20.077 1.223 344 H GLU 43 H GLU 43 3.191 -13.203 5.701 345 HA GLU 43 HA GLU 43 0.436 -13.514 5.073 346 HB2 GLU 43 1HB GLU 43 -0.016 -11.652 6.700 347 HB3 GLU 43 2HB GLU 43 0.926 -13.019 7.315 348 HG2 GLU 43 1HG GLU 43 2.983 -11.710 7.012 349 HG3 GLU 43 2HG GLU 43 2.029 -10.299 6.519 350 H TYR 44 H TYR 44 2.456 -10.599 4.484 351 HA TYR 44 HA TYR 44 0.453 -9.116 3.119 352 HB2 TYR 44 1HB TYR 44 3.469 -9.054 2.951 353 HB3 TYR 44 2HB TYR 44 2.423 -7.858 2.239 354 HD1 TYR 44 HD2 TYR 44 0.519 -8.236 5.028 355 HD2 TYR 44 HD1 TYR 44 4.509 -7.051 3.959 356 HE1 TYR 44 HE2 TYR 44 0.728 -7.065 7.188 357 HE2 TYR 44 HE1 TYR 44 4.788 -5.985 6.297 358 HH TYR 44 HH TYR 44 2.048 -5.804 8.541 359 H MET 45 H MET 45 2.794 -11.497 1.754 360 HA MET 45 HA MET 45 2.118 -11.128 -0.966 361 HB2 MET 45 1HB MET 45 3.331 -13.346 0.637 362 HB3 MET 45 2HB MET 45 2.510 -13.852 -0.822 363 HG2 MET 45 1HG MET 45 3.780 -12.175 -2.121 364 HG3 MET 45 2HG MET 45 4.728 -11.800 -0.686 365 HE1 MET 45 3HE MET 45 6.509 -14.181 -3.638 366 HE2 MET 45 1HE MET 45 4.826 -13.681 -3.917 367 HE3 MET 45 2HE MET 45 6.019 -12.495 -3.348 368 H GLU 46 H GLU 46 0.287 -12.821 1.559 369 HA GLU 46 HA GLU 46 -1.633 -13.960 -0.363 370 HB2 GLU 46 1HB GLU 46 -2.008 -13.709 2.621 371 HB3 GLU 46 2HB GLU 46 -2.845 -14.765 1.458 372 HG2 GLU 46 1HG GLU 46 -0.821 -16.050 1.075 373 HG3 GLU 46 2HG GLU 46 0.133 -14.929 2.023 374 H LYS 47 H LYS 47 -1.440 -11.100 1.718 375 HA LYS 47 HA LYS 47 -4.145 -10.237 1.417 376 HB2 LYS 47 1HB LYS 47 -1.546 -8.850 2.061 377 HB3 LYS 47 2HB LYS 47 -2.880 -7.855 1.505 378 HG2 LYS 47 1HG LYS 47 -2.893 -7.773 3.811 379 HG3 LYS 47 2HG LYS 47 -4.323 -8.680 3.296 380 HD2 LYS 47 1HD LYS 47 -3.414 -10.739 4.097 381 HD3 LYS 47 2HD LYS 47 -1.778 -10.034 4.258 382 HE2 LYS 47 1HE LYS 47 -2.370 -8.621 6.025 383 HE3 LYS 47 2HE LYS 47 -4.103 -8.843 5.749 384 HZ1 LYS 47 3HZ LYS 47 -2.257 -10.864 6.898 385 HZ2 LYS 47 1HZ LYS 47 -3.789 -11.211 6.424 386 HZ3 LYS 47 2HZ LYS 47 -3.532 -10.153 7.632 387 H ILE 48 H ILE 48 -1.601 -10.281 -0.913 388 HA ILE 48 HA ILE 48 -2.610 -8.273 -2.698 389 HB ILE 48 HB ILE 48 -0.979 -10.643 -3.606 390 HG12 ILE 48 1HG1 ILE 48 0.205 -10.032 -1.647 391 HG13 ILE 48 2HG1 ILE 48 1.066 -9.321 -2.991 392 HG21 ILE 48 1HG2 ILE 48 -1.061 -7.696 -4.389 393 HG22 ILE 48 2HG2 ILE 48 0.096 -8.890 -4.990 394 HG23 ILE 48 3HG2 ILE 48 -1.619 -9.074 -5.363 395 HD11 ILE 48 3HD1 ILE 48 -0.172 -7.104 -2.464 396 HD12 ILE 48 1HD1 ILE 48 -0.686 -7.870 -0.956 397 HD13 ILE 48 2HD1 ILE 48 1.046 -7.674 -1.319 398 H LYS 49 H LYS 49 -3.627 -11.498 -2.110 399 HA LYS 49 HA LYS 49 -5.432 -11.512 -4.518 400 HB2 LYS 49 1HB LYS 49 -4.663 -14.038 -3.072 401 HB3 LYS 49 2HB LYS 49 -5.200 -13.798 -4.727 402 HG2 LYS 49 1HG LYS 49 -3.016 -14.214 -5.197 403 HG3 LYS 49 2HG LYS 49 -2.834 -12.491 -4.885 404 HD2 LYS 49 1HD LYS 49 -1.103 -13.461 -3.651 405 HD3 LYS 49 2HD LYS 49 -2.346 -13.156 -2.446 406 HE2 LYS 49 1HE LYS 49 -1.580 -15.315 -1.938 407 HE3 LYS 49 2HE LYS 49 -3.100 -15.602 -2.787 408 HZ1 LYS 49 3HZ LYS 49 -0.448 -15.659 -4.134 409 HZ2 LYS 49 1HZ LYS 49 -1.865 -16.196 -4.750 410 HZ3 LYS 49 2HZ LYS 49 -1.152 -16.996 -3.521 411 H THR 50 H THR 50 -5.184 -12.038 -1.095 412 HA THR 50 HA THR 50 -8.119 -12.671 -0.866 413 HB THR 50 HB THR 50 -7.714 -13.782 1.146 414 HG1 THR 50 HG1 THR 50 -5.023 -12.887 1.090 415 HG21 THR 50 3HG2 THR 50 -6.224 -15.537 0.637 416 HG22 THR 50 1HG2 THR 50 -5.155 -14.489 -0.317 417 HG23 THR 50 2HG2 THR 50 -6.753 -14.951 -0.955 418 H GLY 51 H GLY 51 -5.708 -10.353 -0.014 419 HA2 GLY 51 1HA GLY 51 -7.091 -9.146 2.231 420 HA3 GLY 51 2HA GLY 51 -5.649 -8.529 1.422 421 H SER 52 H SER 52 -8.131 -7.302 2.277 422 HA SER 52 HA SER 52 -9.512 -6.434 -0.124 423 HB2 SER 52 1HB SER 52 -10.170 -6.791 2.474 424 HB3 SER 52 2HB SER 52 -9.872 -5.040 2.489 425 HG SER 52 HG SER 52 -11.715 -6.581 1.018 426 H VAL 53 H VAL 53 -10.101 -3.935 -0.025 427 HA VAL 53 HA VAL 53 -7.998 -2.358 -0.987 428 HB VAL 53 HB VAL 53 -10.267 -1.705 -1.316 429 HG11 VAL 53 1HG1 VAL 53 -11.138 -2.422 0.940 430 HG12 VAL 53 2HG1 VAL 53 -10.551 -0.863 1.575 431 HG13 VAL 53 3HG1 VAL 53 -11.747 -0.905 0.283 432 HG21 VAL 53 3HG2 VAL 53 -8.422 0.061 -1.192 433 HG22 VAL 53 1HG2 VAL 53 -10.078 0.650 -1.053 434 HG23 VAL 53 2HG2 VAL 53 -9.061 0.508 0.393 435 H PHE 54 H PHE 54 -9.222 -2.281 2.332 436 HA PHE 54 HA PHE 54 -7.355 -0.439 3.400 437 HB2 PHE 54 1HB PHE 54 -8.899 -2.719 4.714 438 HB3 PHE 54 2HB PHE 54 -8.078 -1.425 5.588 439 HD1 PHE 54 HD2 PHE 54 -8.739 1.054 4.623 440 HD2 PHE 54 HD1 PHE 54 -11.247 -2.439 4.502 441 HE1 PHE 54 HE2 PHE 54 -10.714 2.500 4.408 442 HE2 PHE 54 HE1 PHE 54 -13.252 -0.974 4.351 443 HZ PHE 54 HZ PHE 54 -12.995 1.493 4.291 444 H GLU 55 H GLU 55 -7.087 -3.898 2.857 445 HA GLU 55 HA GLU 55 -4.650 -4.232 4.453 446 HB2 GLU 55 1HB GLU 55 -6.033 -6.140 2.533 447 HB3 GLU 55 2HB GLU 55 -4.730 -6.511 3.655 448 HG2 GLU 55 1HG GLU 55 -6.137 -5.941 5.580 449 HG3 GLU 55 2HG GLU 55 -7.472 -5.494 4.510 450 H ILE 56 H ILE 56 -5.385 -4.317 0.897 451 HA ILE 56 HA ILE 56 -2.805 -4.597 -0.126 452 HB ILE 56 HB ILE 56 -5.184 -2.995 -1.091 453 HG12 ILE 56 1HG1 ILE 56 -5.399 -5.454 -0.984 454 HG13 ILE 56 2HG1 ILE 56 -5.546 -4.806 -2.613 455 HG21 ILE 56 1HG2 ILE 56 -2.572 -3.424 -2.594 456 HG22 ILE 56 2HG2 ILE 56 -4.117 -2.888 -3.306 457 HG23 ILE 56 3HG2 ILE 56 -3.309 -1.878 -2.136 458 HD11 ILE 56 3HD1 ILE 56 -4.308 -6.861 -2.633 459 HD12 ILE 56 1HD1 ILE 56 -3.199 -5.550 -3.072 460 HD13 ILE 56 2HD1 ILE 56 -3.142 -6.257 -1.442 461 H ALA 57 H ALA 57 -4.441 -1.534 0.747 462 HA ALA 57 HA ALA 57 -2.181 0.089 0.164 463 HB1 ALA 57 3HB ALA 57 -4.677 0.720 0.528 464 HB2 ALA 57 1HB ALA 57 -4.204 0.827 2.249 465 HB3 ALA 57 2HB ALA 57 -3.413 1.848 1.021 466 H GLU 58 H GLU 58 -2.984 -1.726 3.136 467 HA GLU 58 HA GLU 58 -0.862 -0.520 4.742 468 HB2 GLU 58 1HB GLU 58 -2.703 -2.915 5.034 469 HB3 GLU 58 2HB GLU 58 -1.295 -2.763 6.058 470 HG2 GLU 58 1HG GLU 58 -2.173 -0.318 6.468 471 HG3 GLU 58 2HG GLU 58 -3.698 -0.946 5.909 472 H VAL 59 H VAL 59 -1.116 -3.311 2.607 473 HA VAL 59 HA VAL 59 1.361 -4.581 3.249 474 HB VAL 59 HB VAL 59 -0.182 -4.556 0.619 475 HG11 VAL 59 1HG1 VAL 59 2.352 -5.859 1.450 476 HG12 VAL 59 2HG1 VAL 59 1.179 -6.883 0.627 477 HG13 VAL 59 3HG1 VAL 59 1.772 -5.407 -0.163 478 HG21 VAL 59 3HG2 VAL 59 -1.408 -6.267 1.332 479 HG22 VAL 59 1HG2 VAL 59 -0.136 -6.967 2.368 480 HG23 VAL 59 2HG2 VAL 59 -1.097 -5.629 2.955 481 H LEU 60 H LEU 60 0.676 -2.548 0.353 482 HA LEU 60 HA LEU 60 3.401 -2.369 -0.368 483 HB2 LEU 60 1HB LEU 60 2.644 -1.385 -2.165 484 HB3 LEU 60 2HB LEU 60 1.040 -1.663 -1.570 485 HG LEU 60 HG LEU 60 2.570 0.948 -1.119 486 HD11 LEU 60 1HD1 LEU 60 2.119 0.260 -3.505 487 HD12 LEU 60 2HD1 LEU 60 1.506 1.820 -2.986 488 HD13 LEU 60 3HD1 LEU 60 0.403 0.418 -3.140 489 HD21 LEU 60 3HD2 LEU 60 0.822 1.036 0.443 490 HD22 LEU 60 1HD2 LEU 60 -0.210 -0.037 -0.513 491 HD23 LEU 60 2HD2 LEU 60 0.019 1.670 -0.946 492 H ARG 61 H ARG 61 1.582 -0.386 1.832 493 HA ARG 61 HA ARG 61 3.343 1.815 2.273 494 HB2 ARG 61 1HB ARG 61 1.042 1.781 3.078 495 HB3 ARG 61 2HB ARG 61 1.335 0.323 3.984 496 HG2 ARG 61 1HG ARG 61 3.129 1.951 5.267 497 HG3 ARG 61 2HG ARG 61 2.003 3.153 4.688 498 HD2 ARG 61 1HD ARG 61 1.261 2.510 6.815 499 HD3 ARG 61 2HD ARG 61 0.135 1.765 5.672 500 HE ARG 61 HE ARG 61 2.112 -0.182 6.223 501 HH11 ARG 61 1HH1 ARG 61 -0.554 1.375 7.926 502 HH12 ARG 61 2HH1 ARG 61 -1.016 -0.181 8.606 503 HH21 ARG 61 1HH2 ARG 61 1.726 -1.902 7.620 504 HH22 ARG 61 2HH2 ARG 61 0.257 -1.835 8.574 505 H ASP 62 H ASP 62 3.087 -1.301 3.999 506 HA ASP 62 HA ASP 62 5.204 -0.808 5.840 507 HB2 ASP 62 1HB ASP 62 3.531 -3.071 5.086 508 HB3 ASP 62 2HB ASP 62 5.205 -3.598 5.210 509 H LEU 63 H LEU 63 5.282 -2.429 2.664 510 HA LEU 63 HA LEU 63 8.101 -2.772 2.479 511 HB2 LEU 63 1HB LEU 63 5.916 -2.519 0.379 512 HB3 LEU 63 2HB LEU 63 7.616 -2.681 -0.031 513 HG LEU 63 HG LEU 63 7.618 -4.744 1.570 514 HD11 LEU 63 1HD1 LEU 63 5.443 -5.997 1.509 515 HD12 LEU 63 2HD1 LEU 63 4.658 -4.568 0.851 516 HD13 LEU 63 3HD1 LEU 63 5.340 -4.548 2.498 517 HD21 LEU 63 3HD2 LEU 63 6.137 -4.978 -1.066 518 HD22 LEU 63 1HD2 LEU 63 7.161 -6.194 -0.256 519 HD23 LEU 63 2HD2 LEU 63 7.889 -4.729 -0.913 520 H TYR 64 H TYR 64 6.145 0.042 1.338 521 HA TYR 64 HA TYR 64 8.312 1.544 0.359 522 HB2 TYR 64 1HB TYR 64 5.544 2.128 1.176 523 HB3 TYR 64 2HB TYR 64 6.646 3.479 1.329 524 HD1 TYR 64 HD2 TYR 64 8.228 3.987 -0.666 525 HD2 TYR 64 HD1 TYR 64 4.671 1.615 -0.983 526 HE1 TYR 64 HE2 TYR 64 7.992 4.643 -3.074 527 HE2 TYR 64 HE1 TYR 64 4.527 2.141 -3.406 528 HH TYR 64 HH TYR 64 6.605 4.648 -4.857 529 H LEU 65 H LEU 65 7.050 1.503 3.703 530 HA LEU 65 HA LEU 65 9.083 3.377 4.663 531 HB2 LEU 65 1HB LEU 65 7.190 1.520 6.150 532 HB3 LEU 65 2HB LEU 65 8.217 2.743 6.906 533 HG LEU 65 HG LEU 65 5.879 3.232 5.017 534 HD11 LEU 65 1HD1 LEU 65 4.755 3.956 6.900 535 HD12 LEU 65 2HD1 LEU 65 6.258 4.457 7.732 536 HD13 LEU 65 3HD1 LEU 65 5.844 2.768 7.658 537 HD21 LEU 65 3HD2 LEU 65 6.294 5.656 5.464 538 HD22 LEU 65 1HD2 LEU 65 7.559 4.930 4.467 539 HD23 LEU 65 2HD2 LEU 65 7.859 5.239 6.190 540 H LEU 66 H LEU 66 8.979 -0.127 4.427 541 HA LEU 66 HA LEU 66 11.104 -0.816 6.158 542 HB2 LEU 66 1HB LEU 66 9.766 -1.970 3.755 543 HB3 LEU 66 2HB LEU 66 11.367 -2.594 4.079 544 HG LEU 66 HG LEU 66 9.435 -2.411 6.391 545 HD11 LEU 66 1HD1 LEU 66 9.358 -4.508 4.194 546 HD12 LEU 66 2HD1 LEU 66 8.044 -3.450 4.697 547 HD13 LEU 66 3HD1 LEU 66 8.608 -4.669 5.808 548 HD21 LEU 66 3HD2 LEU 66 11.823 -3.116 6.671 549 HD22 LEU 66 1HD2 LEU 66 11.550 -4.428 5.508 550 HD23 LEU 66 2HD2 LEU 66 10.692 -4.420 7.062 551 H LYS 67 H LYS 67 11.257 0.483 2.875 552 HA LYS 67 HA LYS 67 14.188 0.410 2.752 553 HB2 LYS 67 1HB LYS 67 12.588 0.315 0.764 554 HB3 LYS 67 2HB LYS 67 12.204 2.006 1.080 555 HG2 LYS 67 1HG LYS 67 13.788 2.039 -0.671 556 HG3 LYS 67 2HG LYS 67 14.683 2.531 0.749 557 HD2 LYS 67 1HD LYS 67 15.423 0.071 0.983 558 HD3 LYS 67 2HD LYS 67 14.718 -0.196 -0.612 559 HE2 LYS 67 1HE LYS 67 16.432 0.791 -1.695 560 HE3 LYS 67 2HE LYS 67 16.417 2.174 -0.606 561 HZ1 LYS 67 3HZ LYS 67 18.350 1.326 0.140 562 HZ2 LYS 67 1HZ LYS 67 18.112 -0.156 -0.502 563 HZ3 LYS 67 2HZ LYS 67 17.472 0.221 0.953 564 H GLY 68 H GLY 68 11.774 2.740 3.722 565 HA2 GLY 68 1HA GLY 68 11.996 4.701 4.998 566 HA3 GLY 68 2HA GLY 68 13.745 4.651 4.802 567 H ASP 69 H ASP 69 12.576 4.279 1.729 568 HA ASP 69 HA ASP 69 12.133 7.097 1.010 569 HB2 ASP 69 1HB ASP 69 14.693 5.600 0.549 570 HB3 ASP 69 2HB ASP 69 14.045 6.454 -0.833 571 H LYS 70 H LYS 70 11.782 7.260 -1.448 572 HA LYS 70 HA LYS 70 9.789 5.265 -2.142 573 HB2 LYS 70 1HB LYS 70 9.288 6.762 -4.043 574 HB3 LYS 70 2HB LYS 70 9.241 7.518 -2.481 575 HG2 LYS 70 1HG LYS 70 10.304 9.159 -3.541 576 HG3 LYS 70 2HG LYS 70 11.724 8.282 -3.012 577 HD2 LYS 70 1HD LYS 70 12.062 8.930 -5.253 578 HD3 LYS 70 2HD LYS 70 11.823 7.176 -5.269 579 HE2 LYS 70 1HE LYS 70 9.680 7.344 -6.247 580 HE3 LYS 70 2HE LYS 70 9.422 8.985 -5.645 581 HZ1 LYS 70 3HZ LYS 70 11.392 8.369 -7.774 582 HZ2 LYS 70 1HZ LYS 70 10.886 9.849 -7.293 583 HZ3 LYS 70 2HZ LYS 70 9.862 8.853 -8.079 584 H ASP 71 H ASP 71 13.049 5.458 -2.743 585 HA ASP 71 HA ASP 71 13.062 3.888 -5.237 586 HB2 ASP 71 1HB ASP 71 15.584 4.228 -4.907 587 HB3 ASP 71 2HB ASP 71 14.580 5.571 -5.406 588 H LEU 72 H LEU 72 11.858 2.240 -3.968 589 HA LEU 72 HA LEU 72 13.133 0.488 -2.106 590 HB2 LEU 72 1HB LEU 72 10.694 0.453 -3.829 591 HB3 LEU 72 2HB LEU 72 11.377 -1.128 -3.473 592 HG LEU 72 HG LEU 72 11.376 -0.634 -1.063 593 HD11 LEU 72 1HD1 LEU 72 10.272 1.263 -0.129 594 HD12 LEU 72 2HD1 LEU 72 9.741 1.856 -1.728 595 HD13 LEU 72 3HD1 LEU 72 11.442 1.900 -1.258 596 HD21 LEU 72 3HD2 LEU 72 9.129 -1.090 -0.710 597 HD22 LEU 72 1HD2 LEU 72 9.363 -1.657 -2.362 598 HD23 LEU 72 2HD2 LEU 72 8.577 -0.089 -2.053 599 H SER 73 H SER 73 14.018 -1.578 -2.330 600 HA SER 73 HA SER 73 15.845 -1.910 -4.615 601 HB2 SER 73 1HB SER 73 16.406 -2.495 -2.186 602 HB3 SER 73 2HB SER 73 15.314 -3.887 -2.368 603 HG SER 73 HG SER 73 17.434 -4.506 -2.899 604 H PHE 74 H PHE 74 15.972 -4.195 -5.561 605 HA PHE 74 HA PHE 74 13.698 -4.838 -7.124 606 HB2 PHE 74 1HB PHE 74 16.064 -5.455 -7.616 607 HB3 PHE 74 2HB PHE 74 16.001 -6.667 -6.346 608 HD1 PHE 74 HD1 PHE 74 14.785 -5.714 -9.711 609 HD2 PHE 74 HD2 PHE 74 14.755 -8.781 -6.675 610 HE1 PHE 74 HE1 PHE 74 13.891 -7.342 -11.360 611 HE2 PHE 74 HE2 PHE 74 13.869 -10.405 -8.328 612 HZ PHE 74 HZ PHE 74 13.450 -9.692 -10.678 613 H GLY 75 H GLY 75 14.856 -6.532 -4.165 614 HA2 GLY 75 1HA GLY 75 12.877 -8.553 -4.087 615 HA3 GLY 75 2HA GLY 75 13.760 -7.955 -2.676 616 H GLU 76 H GLU 76 12.764 -5.281 -2.698 617 HA GLU 76 HA GLU 76 10.146 -5.643 -1.454 618 HB2 GLU 76 1HB GLU 76 11.582 -3.035 -2.050 619 HB3 GLU 76 2HB GLU 76 10.289 -3.345 -0.875 620 HG2 GLU 76 1HG GLU 76 11.837 -4.925 0.333 621 HG3 GLU 76 2HG GLU 76 13.126 -4.464 -0.786 622 H ARG 77 H ARG 77 11.362 -4.012 -4.395 623 HA ARG 77 HA ARG 77 8.944 -3.115 -5.511 624 HB2 ARG 77 1HB ARG 77 11.305 -2.605 -6.281 625 HB3 ARG 77 2HB ARG 77 11.314 -4.183 -7.062 626 HG2 ARG 77 1HG ARG 77 10.822 -2.639 -8.746 627 HG3 ARG 77 2HG ARG 77 9.271 -3.389 -8.414 628 HD2 ARG 77 1HD ARG 77 8.338 -1.423 -7.726 629 HD3 ARG 77 2HD ARG 77 9.750 -0.989 -6.752 630 HE ARG 77 HE ARG 77 10.156 -0.742 -9.650 631 HH11 ARG 77 1HH1 ARG 77 9.130 1.065 -6.839 632 HH12 ARG 77 2HH1 ARG 77 9.620 2.586 -7.532 633 HH21 ARG 77 1HH2 ARG 77 10.740 1.209 -10.481 634 HH22 ARG 77 2HH2 ARG 77 10.468 2.659 -9.566 635 H LYS 78 H LYS 78 10.294 -6.383 -5.667 636 HA LYS 78 HA LYS 78 8.640 -7.600 -7.566 637 HB2 LYS 78 1HB LYS 78 9.766 -8.632 -4.958 638 HB3 LYS 78 2HB LYS 78 8.825 -9.685 -5.983 639 HG2 LYS 78 1HG LYS 78 11.138 -8.201 -7.247 640 HG3 LYS 78 2HG LYS 78 11.488 -9.487 -6.106 641 HD2 LYS 78 1HD LYS 78 11.399 -10.875 -7.807 642 HD3 LYS 78 2HD LYS 78 9.656 -10.772 -7.748 643 HE2 LYS 78 1HE LYS 78 11.318 -8.788 -9.365 644 HE3 LYS 78 2HE LYS 78 11.011 -10.407 -9.979 645 HZ1 LYS 78 3HZ LYS 78 8.527 -9.473 -9.233 646 HZ2 LYS 78 1HZ LYS 78 9.098 -9.635 -10.746 647 HZ3 LYS 78 2HZ LYS 78 9.239 -8.201 -9.996 648 H MET 79 H MET 79 7.789 -7.474 -4.086 649 HA MET 79 HA MET 79 5.020 -8.321 -4.659 650 HB2 MET 79 1HB MET 79 6.229 -8.954 -2.552 651 HB3 MET 79 2HB MET 79 6.184 -7.256 -2.070 652 HG2 MET 79 1HG MET 79 3.529 -7.697 -2.648 653 HG3 MET 79 2HG MET 79 4.016 -9.314 -2.171 654 HE1 MET 79 3HE MET 79 6.225 -8.694 0.100 655 HE2 MET 79 1HE MET 79 5.200 -8.663 1.546 656 HE3 MET 79 2HE MET 79 4.925 -9.895 0.296 657 H LEU 80 H LEU 80 6.684 -5.270 -3.755 658 HA LEU 80 HA LEU 80 4.455 -3.623 -3.389 659 HB2 LEU 80 1HB LEU 80 6.871 -3.023 -2.950 660 HB3 LEU 80 2HB LEU 80 7.083 -2.891 -4.697 661 HG LEU 80 HG LEU 80 5.058 -1.182 -4.492 662 HD11 LEU 80 1HD1 LEU 80 4.729 -0.124 -2.523 663 HD12 LEU 80 2HD1 LEU 80 6.289 -0.622 -1.820 664 HD13 LEU 80 3HD1 LEU 80 4.959 -1.781 -1.960 665 HD21 LEU 80 3HD2 LEU 80 6.886 -0.251 -5.433 666 HD22 LEU 80 1HD2 LEU 80 7.981 -0.748 -4.135 667 HD23 LEU 80 2HD2 LEU 80 6.882 0.623 -3.893 668 H ASP 81 H ASP 81 6.088 -4.356 -6.514 669 HA ASP 81 HA ASP 81 4.638 -2.766 -8.290 670 HB2 ASP 81 1HB ASP 81 6.556 -4.053 -8.963 671 HB3 ASP 81 2HB ASP 81 5.777 -5.572 -8.518 672 H THR 82 H THR 82 3.659 -5.922 -6.929 673 HA THR 82 HA THR 82 1.196 -6.072 -8.451 674 HB THR 82 HB THR 82 1.622 -7.593 -5.885 675 HG1 THR 82 HG1 THR 82 2.969 -8.996 -6.862 676 HG21 THR 82 3HG2 THR 82 0.540 -9.383 -7.227 677 HG22 THR 82 1HG2 THR 82 0.585 -8.352 -8.668 678 HG23 THR 82 2HG2 THR 82 -0.444 -7.904 -7.294 679 H ALA 83 H ALA 83 1.962 -5.301 -5.015 680 HA ALA 83 HA ALA 83 -0.719 -4.651 -4.253 681 HB1 ALA 83 3HB ALA 83 0.276 -3.716 -2.271 682 HB2 ALA 83 1HB ALA 83 1.134 -5.203 -2.690 683 HB3 ALA 83 2HB ALA 83 1.881 -3.634 -3.055 684 H ARG 84 H ARG 84 1.748 -2.663 -5.792 685 HA ARG 84 HA ARG 84 0.542 -0.059 -5.615 686 HB2 ARG 84 1HB ARG 84 2.465 -1.402 -7.550 687 HB3 ARG 84 2HB ARG 84 1.887 0.215 -7.882 688 HG2 ARG 84 1HG ARG 84 3.132 -0.460 -5.214 689 HG3 ARG 84 2HG ARG 84 4.142 -0.156 -6.613 690 HD2 ARG 84 1HD ARG 84 2.165 1.966 -6.463 691 HD3 ARG 84 2HD ARG 84 2.855 1.757 -4.879 692 HE ARG 84 HE ARG 84 4.814 2.703 -5.588 693 HH11 ARG 84 1HH1 ARG 84 3.180 1.742 -8.531 694 HH12 ARG 84 2HH1 ARG 84 4.472 2.345 -9.527 695 HH21 ARG 84 1HH2 ARG 84 6.349 3.424 -6.840 696 HH22 ARG 84 2HH2 ARG 84 6.245 3.318 -8.583 697 H SER 85 H SER 85 0.434 -2.412 -8.267 698 HA SER 85 HA SER 85 -1.502 -1.163 -9.926 699 HB2 SER 85 1HB SER 85 -0.186 -2.923 -10.793 700 HB3 SER 85 2HB SER 85 -0.671 -4.043 -9.510 701 HG SER 85 HG SER 85 -1.811 -4.554 -11.362 702 H LEU 86 H LEU 86 -1.981 -2.951 -6.949 703 HA LEU 86 HA LEU 86 -4.915 -2.975 -7.306 704 HB2 LEU 86 1HB LEU 86 -3.056 -4.046 -5.161 705 HB3 LEU 86 2HB LEU 86 -4.815 -4.154 -5.046 706 HG LEU 86 HG LEU 86 -3.315 -5.253 -7.450 707 HD11 LEU 86 1HD1 LEU 86 -3.284 -7.418 -6.423 708 HD12 LEU 86 2HD1 LEU 86 -4.066 -6.789 -4.959 709 HD13 LEU 86 3HD1 LEU 86 -2.423 -6.258 -5.398 710 HD21 LEU 86 3HD2 LEU 86 -6.100 -4.989 -6.805 711 HD22 LEU 86 1HD2 LEU 86 -5.707 -6.701 -6.665 712 HD23 LEU 86 2HD2 LEU 86 -5.359 -5.843 -8.175 713 H LEU 87 H LEU 87 -2.544 -1.312 -5.202 714 HA LEU 87 HA LEU 87 -4.190 0.088 -3.472 715 HB2 LEU 87 1HB LEU 87 -1.760 0.231 -3.396 716 HB3 LEU 87 2HB LEU 87 -1.699 1.008 -4.986 717 HG LEU 87 HG LEU 87 -3.043 2.928 -4.007 718 HD11 LEU 87 1HD1 LEU 87 -3.835 1.913 -1.922 719 HD12 LEU 87 2HD1 LEU 87 -2.713 3.234 -1.523 720 HD13 LEU 87 3HD1 LEU 87 -2.175 1.548 -1.440 721 HD21 LEU 87 3HD2 LEU 87 -1.215 4.100 -3.471 722 HD22 LEU 87 1HD2 LEU 87 -0.526 2.826 -4.484 723 HD23 LEU 87 2HD2 LEU 87 -0.408 2.744 -2.711 724 H ILE 88 H ILE 88 -3.101 1.333 -6.647 725 HA ILE 88 HA ILE 88 -4.973 3.485 -6.524 726 HB ILE 88 HB ILE 88 -4.271 4.254 -8.534 727 HG12 ILE 88 1HG1 ILE 88 -4.764 2.324 -9.988 728 HG13 ILE 88 2HG1 ILE 88 -3.190 3.043 -10.329 729 HG21 ILE 88 1HG2 ILE 88 -1.939 4.287 -8.524 730 HG22 ILE 88 2HG2 ILE 88 -2.438 4.100 -6.839 731 HG23 ILE 88 3HG2 ILE 88 -1.800 2.712 -7.697 732 HD11 ILE 88 3HD1 ILE 88 -3.552 0.545 -8.673 733 HD12 ILE 88 1HD1 ILE 88 -3.267 0.556 -10.424 734 HD13 ILE 88 2HD1 ILE 88 -2.035 1.210 -9.338 735 H LYS 89 H LYS 89 -5.471 0.244 -7.375 736 HA LYS 89 HA LYS 89 -7.554 0.419 -9.347 737 HB2 LYS 89 1HB LYS 89 -6.159 -1.653 -8.437 738 HB3 LYS 89 2HB LYS 89 -7.469 -1.795 -7.278 739 HG2 LYS 89 1HG LYS 89 -8.464 -3.071 -8.807 740 HG3 LYS 89 2HG LYS 89 -8.912 -1.560 -9.588 741 HD2 LYS 89 1HD LYS 89 -7.890 -2.512 -11.414 742 HD3 LYS 89 2HD LYS 89 -6.425 -1.880 -10.676 743 HE2 LYS 89 1HE LYS 89 -5.653 -4.015 -10.727 744 HE3 LYS 89 2HE LYS 89 -6.691 -4.275 -9.324 745 HZ1 LYS 89 3HZ LYS 89 -7.210 -5.934 -10.968 746 HZ2 LYS 89 1HZ LYS 89 -7.385 -4.834 -12.158 747 HZ3 LYS 89 2HZ LYS 89 -8.482 -4.911 -10.948 748 H GLU 90 H GLU 90 -7.692 0.136 -5.799 749 HA GLU 90 HA GLU 90 -10.629 0.233 -5.754 750 HB2 GLU 90 1HB GLU 90 -8.874 0.747 -3.351 751 HB3 GLU 90 2HB GLU 90 -10.485 0.083 -3.438 752 HG2 GLU 90 1HG GLU 90 -9.644 -1.959 -3.356 753 HG3 GLU 90 2HG GLU 90 -9.033 -1.736 -4.968 754 H LEU 91 H LEU 91 -7.984 2.350 -4.736 755 HA LEU 91 HA LEU 91 -9.440 4.645 -3.952 756 HB2 LEU 91 1HB LEU 91 -6.602 4.307 -5.004 757 HB3 LEU 91 2HB LEU 91 -7.218 5.742 -4.175 758 HG LEU 91 HG LEU 91 -7.112 2.964 -2.887 759 HD11 LEU 91 1HD1 LEU 91 -5.194 5.315 -2.722 760 HD12 LEU 91 2HD1 LEU 91 -4.889 3.674 -3.294 761 HD13 LEU 91 3HD1 LEU 91 -5.206 3.944 -1.589 762 HD21 LEU 91 3HD2 LEU 91 -7.831 5.729 -1.952 763 HD22 LEU 91 1HD2 LEU 91 -7.190 4.542 -0.843 764 HD23 LEU 91 2HD2 LEU 91 -8.702 4.194 -1.695 765 H SER 92 H SER 92 -8.621 3.538 -7.089 766 HA SER 92 HA SER 92 -8.658 5.564 -8.866 767 HB2 SER 92 1HB SER 92 -8.573 3.278 -9.633 768 HB3 SER 92 2HB SER 92 -10.202 2.965 -9.013 769 HG SER 92 HG SER 92 -10.345 3.269 -11.192 770 H LEU 93 H LEU 93 -11.507 4.438 -7.134 771 HA LEU 93 HA LEU 93 -13.477 5.903 -8.492 772 HB2 LEU 93 1HB LEU 93 -13.564 4.037 -6.599 773 HB3 LEU 93 2HB LEU 93 -13.691 5.414 -5.523 774 HG LEU 93 HG LEU 93 -15.879 4.589 -6.031 775 HD11 LEU 93 1HD1 LEU 93 -17.029 6.516 -6.861 776 HD12 LEU 93 2HD1 LEU 93 -15.599 7.093 -7.726 777 HD13 LEU 93 3HD1 LEU 93 -15.620 7.085 -5.946 778 HD21 LEU 93 3HD2 LEU 93 -15.290 3.449 -8.184 779 HD22 LEU 93 1HD2 LEU 93 -15.370 5.022 -9.006 780 HD23 LEU 93 2HD2 LEU 93 -16.815 4.349 -8.238 781 H ALA 94 H ALA 94 -11.944 6.852 -5.413 782 HA ALA 94 HA ALA 94 -12.957 9.578 -5.515 783 HB1 ALA 94 3HB ALA 94 -11.630 9.894 -3.502 784 HB2 ALA 94 1HB ALA 94 -12.440 8.317 -3.423 785 HB3 ALA 94 2HB ALA 94 -10.710 8.423 -3.851 786 H LYS 95 H LYS 95 -10.055 8.043 -6.741 787 HA LYS 95 HA LYS 95 -8.286 10.208 -7.020 788 HB2 LYS 95 1HB LYS 95 -7.049 8.665 -7.957 789 HB3 LYS 95 2HB LYS 95 -8.423 7.563 -7.945 790 HG2 LYS 95 1HG LYS 95 -9.025 8.368 -10.236 791 HG3 LYS 95 2HG LYS 95 -7.549 9.344 -10.224 792 HD2 LYS 95 1HD LYS 95 -6.316 7.588 -10.885 793 HD3 LYS 95 2HD LYS 95 -6.907 6.574 -9.579 794 HE2 LYS 95 1HE LYS 95 -8.981 6.121 -10.891 795 HE3 LYS 95 2HE LYS 95 -8.338 7.060 -12.228 796 HZ1 LYS 95 3HZ LYS 95 -7.992 4.595 -12.358 797 HZ2 LYS 95 1HZ LYS 95 -6.923 4.686 -11.133 798 HZ3 LYS 95 2HZ LYS 95 -6.623 5.463 -12.553 799 H ASP 96 H ASP 96 -10.960 9.342 -9.110 800 HA ASP 96 HA ASP 96 -11.861 10.252 -11.000 801 HB2 ASP 96 1HB ASP 96 -12.727 11.468 -8.942 802 HB3 ASP 96 2HB ASP 96 -11.696 12.818 -9.404 803 H CYS 97 H CYS 97 -9.121 10.017 -11.398 804 HA CYS 97 HA CYS 97 -8.397 11.898 -13.473 805 HB2 CYS 97 1HB CYS 97 -7.928 12.926 -11.017 806 HB3 CYS 97 2HB CYS 97 -6.463 11.952 -11.168 807 HG CYS 97 HG CYS 97 -6.169 14.560 -11.853 808 H SER 98 H SER 98 -5.645 11.482 -13.512 809 HA SER 98 HA SER 98 -5.333 8.751 -14.489 810 HB2 SER 98 1HB SER 98 -3.552 11.159 -14.084 811 HB3 SER 98 2HB SER 98 -2.781 9.584 -14.301 812 HG SER 98 HG SER 98 -3.786 9.343 -16.274 813 H GLU 99 H GLU 99 -3.769 7.167 -13.676 814 HA GLU 99 HA GLU 99 -4.032 6.478 -10.928 815 HB2 GLU 99 1HB GLU 99 -1.918 5.643 -12.949 816 HB3 GLU 99 2HB GLU 99 -2.099 4.934 -11.329 817 HG2 GLU 99 1HG GLU 99 -4.454 4.328 -11.884 818 HG3 GLU 99 2HG GLU 99 -4.231 4.945 -13.523 819 H ASP 100 H ASP 100 -1.686 8.551 -12.452 820 HA ASP 100 HA ASP 100 0.324 8.801 -10.531 821 HB2 ASP 100 1HB ASP 100 -0.655 10.332 -12.817 822 HB3 ASP 100 2HB ASP 100 -0.242 11.423 -11.513 823 H GLU 101 H GLU 101 -3.039 9.945 -10.212 824 HA GLU 101 HA GLU 101 -2.653 11.891 -8.157 825 HB2 GLU 101 1HB GLU 101 -4.797 11.626 -9.290 826 HB3 GLU 101 2HB GLU 101 -4.924 9.958 -8.779 827 HG2 GLU 101 1HG GLU 101 -5.821 10.451 -6.839 828 HG3 GLU 101 2HG GLU 101 -4.551 11.570 -6.395 829 H ILE 102 H ILE 102 -3.381 8.391 -7.886 830 HA ILE 102 HA ILE 102 -2.847 8.356 -5.003 831 HB ILE 102 HB ILE 102 -3.457 6.161 -6.944 832 HG12 ILE 102 1HG1 ILE 102 -5.437 6.862 -4.836 833 HG13 ILE 102 2HG1 ILE 102 -5.185 8.182 -5.955 834 HG21 ILE 102 1HG2 ILE 102 -3.980 4.831 -4.928 835 HG22 ILE 102 2HG2 ILE 102 -2.276 5.270 -4.976 836 HG23 ILE 102 3HG2 ILE 102 -3.361 6.146 -3.891 837 HD11 ILE 102 3HD1 ILE 102 -5.777 5.341 -6.859 838 HD12 ILE 102 1HD1 ILE 102 -6.955 6.632 -6.684 839 HD13 ILE 102 2HD1 ILE 102 -5.619 6.787 -7.863 840 H GLU 103 H GLU 103 -1.195 7.120 -7.946 841 HA GLU 103 HA GLU 103 0.902 5.707 -6.672 842 HB2 GLU 103 1HB GLU 103 0.424 6.897 -9.353 843 HB3 GLU 103 2HB GLU 103 2.117 6.708 -8.943 844 HG2 GLU 103 1HG GLU 103 1.957 4.383 -8.625 845 HG3 GLU 103 2HG GLU 103 0.210 4.411 -8.519 846 H SER 104 H SER 104 0.730 9.201 -7.631 847 HA SER 104 HA SER 104 3.342 9.764 -6.464 848 HB2 SER 104 1HB SER 104 3.181 11.896 -7.241 849 HB3 SER 104 2HB SER 104 2.242 11.019 -8.438 850 HG SER 104 HG SER 104 0.378 11.739 -7.502 851 H ASP 105 H ASP 105 -0.045 10.067 -5.293 852 HA ASP 105 HA ASP 105 0.470 11.593 -2.984 853 HB2 ASP 105 1HB ASP 105 -1.575 9.480 -3.646 854 HB3 ASP 105 2HB ASP 105 -1.419 10.015 -1.993 855 H LEU 106 H LEU 106 1.496 8.318 -3.570 856 HA LEU 106 HA LEU 106 1.906 7.401 -0.933 857 HB2 LEU 106 1HB LEU 106 3.719 7.034 -3.369 858 HB3 LEU 106 2HB LEU 106 3.754 6.043 -1.918 859 HG LEU 106 HG LEU 106 1.441 6.283 -3.867 860 HD11 LEU 106 1HD1 LEU 106 1.947 4.137 -4.663 861 HD12 LEU 106 2HD1 LEU 106 3.098 3.830 -3.345 862 HD13 LEU 106 3HD1 LEU 106 3.495 4.997 -4.620 863 HD21 LEU 106 3HD2 LEU 106 1.224 4.011 -2.087 864 HD22 LEU 106 1HD2 LEU 106 0.090 5.368 -2.354 865 HD23 LEU 106 2HD2 LEU 106 1.331 5.462 -1.130 866 H LYS 107 H LYS 107 3.979 9.566 -2.832 867 HA LYS 107 HA LYS 107 6.078 9.790 -0.882 868 HB2 LYS 107 1HB LYS 107 7.009 11.417 -2.247 869 HB3 LYS 107 2HB LYS 107 6.045 10.476 -3.382 870 HG2 LYS 107 1HG LYS 107 4.193 12.241 -2.932 871 HG3 LYS 107 2HG LYS 107 5.447 13.214 -2.198 872 HD2 LYS 107 1HD LYS 107 6.298 13.860 -4.187 873 HD3 LYS 107 2HD LYS 107 6.239 12.227 -4.879 874 HE2 LYS 107 1HE LYS 107 3.941 12.397 -5.425 875 HE3 LYS 107 2HE LYS 107 3.713 13.855 -4.466 876 HZ1 LYS 107 3HZ LYS 107 5.060 15.082 -6.044 877 HZ2 LYS 107 1HZ LYS 107 3.866 14.333 -6.861 878 HZ3 LYS 107 2HZ LYS 107 5.390 13.741 -6.918 879 H LYS 108 H LYS 108 2.975 11.339 -1.072 880 HA LYS 108 HA LYS 108 3.484 13.275 1.124 881 HB2 LYS 108 1HB LYS 108 1.049 12.643 -0.618 882 HB3 LYS 108 2HB LYS 108 0.910 13.563 0.861 883 HG2 LYS 108 1HG LYS 108 1.238 15.338 -0.433 884 HG3 LYS 108 2HG LYS 108 2.933 14.969 -0.206 885 HD2 LYS 108 1HD LYS 108 3.125 14.962 -2.452 886 HD3 LYS 108 2HD LYS 108 2.267 13.425 -2.449 887 HE2 LYS 108 1HE LYS 108 1.176 14.851 -4.026 888 HE3 LYS 108 2HE LYS 108 0.091 14.662 -2.652 889 HZ1 LYS 108 3HZ LYS 108 1.818 16.952 -2.371 890 HZ2 LYS 108 1HZ LYS 108 0.189 16.878 -2.276 891 HZ3 LYS 108 2HZ LYS 108 0.913 17.046 -3.724 892 H ILE 109 H ILE 109 2.020 10.093 0.746 893 HA ILE 109 HA ILE 109 0.884 10.083 3.445 894 HB ILE 109 HB ILE 109 1.299 7.800 1.496 895 HG12 ILE 109 1HG1 ILE 109 -1.401 9.035 2.120 896 HG13 ILE 109 2HG1 ILE 109 -0.402 9.794 0.912 897 HG21 ILE 109 1HG2 ILE 109 0.218 8.009 4.272 898 HG22 ILE 109 2HG2 ILE 109 -0.779 7.086 3.174 899 HG23 ILE 109 3HG2 ILE 109 0.923 6.635 3.417 900 HD11 ILE 109 3HD1 ILE 109 -0.889 8.216 -0.637 901 HD12 ILE 109 1HD1 ILE 109 -0.490 6.890 0.447 902 HD13 ILE 109 2HD1 ILE 109 -2.108 7.605 0.496 903 H PHE 110 H PHE 110 3.432 8.017 1.953 904 HA PHE 110 HA PHE 110 4.435 7.071 4.494 905 HB2 PHE 110 1HB PHE 110 5.695 6.893 1.770 906 HB3 PHE 110 2HB PHE 110 5.964 5.802 3.106 907 HD1 PHE 110 HD2 PHE 110 2.958 5.334 3.793 908 HD2 PHE 110 HD1 PHE 110 5.164 5.335 0.071 909 HE1 PHE 110 HE2 PHE 110 1.255 3.882 2.717 910 HE2 PHE 110 HE1 PHE 110 3.459 3.904 -0.939 911 HZ PHE 110 HZ PHE 110 1.471 3.207 0.363 912 H ASN 111 H ASN 111 4.918 9.967 2.889 913 HA ASN 111 HA ASN 111 6.346 11.713 2.976 914 HB2 ASN 111 1HB ASN 111 5.634 11.345 5.395 915 HB3 ASN 111 2HB ASN 111 7.240 10.675 5.672 916 HD21 ASN 111 2HD2 ASN 111 5.405 13.611 4.791 917 HD22 ASN 111 1HD2 ASN 111 6.739 14.699 5.147 918 H LEU 112 H LEU 112 7.319 10.374 1.207 919 HA LEU 112 HA LEU 112 10.040 9.285 1.756 920 HB2 LEU 112 1HB LEU 112 8.534 9.186 -0.858 921 HB3 LEU 112 2HB LEU 112 9.902 8.212 -0.365 922 HG LEU 112 HG LEU 112 7.426 7.968 1.284 923 HD11 LEU 112 1HD1 LEU 112 7.036 6.116 -0.818 924 HD12 LEU 112 2HD1 LEU 112 7.253 7.667 -1.606 925 HD13 LEU 112 3HD1 LEU 112 6.035 7.482 -0.364 926 HD21 LEU 112 3HD2 LEU 112 9.204 5.814 0.168 927 HD22 LEU 112 1HD2 LEU 112 7.966 5.656 1.420 928 HD23 LEU 112 2HD2 LEU 112 9.439 6.587 1.751 929 H ALA 113 H ALA 113 8.664 11.103 -0.942 930 HA ALA 113 HA ALA 113 9.402 12.603 -2.438 931 HB1 ALA 113 3HB ALA 113 8.774 14.200 -0.887 932 HB2 ALA 113 1HB ALA 113 10.135 13.857 0.202 933 HB3 ALA 113 2HB ALA 113 10.415 14.707 -1.329 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -26.027 -16.208 1.623 2 H2 GLY 1 2H GLY 1 -26.191 -16.221 3.253 3 H3 GLY 1 3H GLY 1 -27.037 -15.147 2.351 4 HA2 GLY 1 1HA GLY 1 -25.070 -13.969 1.712 5 HA3 GLY 1 2HA GLY 1 -25.176 -14.077 3.478 6 H SER 2 H SER 2 -23.046 -14.290 1.019 7 HA SER 2 HA SER 2 -21.169 -16.100 2.457 8 HB2 SER 2 1HB SER 2 -20.460 -16.931 0.130 9 HB3 SER 2 2HB SER 2 -21.885 -17.630 0.899 10 HG SER 2 HG SER 2 -23.212 -16.466 -0.440 11 H HIS 3 H HIS 3 -19.709 -14.740 3.103 12 HA HIS 3 HA HIS 3 -17.945 -13.344 1.207 13 HB2 HIS 3 1HB HIS 3 -18.241 -11.107 2.308 14 HB3 HIS 3 2HB HIS 3 -19.619 -11.646 1.377 15 HD1 HIS 3 HD1 HIS 3 -18.567 -11.627 5.110 16 HD2 HIS 3 HD2 HIS 3 -21.929 -11.572 2.556 17 HE1 HIS 3 HE1 HIS 3 -20.650 -11.363 6.641 18 HE2 HIS 3 HE2 HIS 3 -22.689 -11.319 5.070 19 H MET 4 H MET 4 -17.344 -15.499 2.813 20 HA MET 4 HA MET 4 -15.999 -14.751 5.284 21 HB2 MET 4 1HB MET 4 -16.016 -17.212 3.539 22 HB3 MET 4 2HB MET 4 -14.768 -17.022 4.773 23 HG2 MET 4 1HG MET 4 -16.166 -17.433 6.473 24 HG3 MET 4 2HG MET 4 -17.387 -16.333 5.863 25 HE1 MET 4 3HE MET 4 -17.257 -20.892 5.285 26 HE2 MET 4 1HE MET 4 -15.821 -19.882 4.999 27 HE3 MET 4 2HE MET 4 -16.542 -19.974 6.625 28 H GLY 5 H GLY 5 -14.654 -13.180 5.184 29 HA2 GLY 5 1HA GLY 5 -12.059 -13.410 3.785 30 HA3 GLY 5 2HA GLY 5 -13.047 -11.972 3.473 31 H SER 6 H SER 6 -10.977 -11.042 4.401 32 HA SER 6 HA SER 6 -10.519 -11.194 7.280 33 HB2 SER 6 1HB SER 6 -9.407 -9.476 5.071 34 HB3 SER 6 2HB SER 6 -8.894 -9.318 6.768 35 HG SER 6 HG SER 6 -7.545 -10.708 5.554 36 H VAL 7 H VAL 7 -11.073 -8.162 5.412 37 HA VAL 7 HA VAL 7 -12.280 -6.896 7.745 38 HB VAL 7 HB VAL 7 -12.301 -5.746 4.944 39 HG11 VAL 7 1HG1 VAL 7 -12.183 -3.598 6.186 40 HG12 VAL 7 2HG1 VAL 7 -13.609 -4.507 6.659 41 HG13 VAL 7 3HG1 VAL 7 -12.186 -4.476 7.722 42 HG21 VAL 7 3HG2 VAL 7 -10.030 -5.732 6.977 43 HG22 VAL 7 1HG2 VAL 7 -9.981 -6.331 5.303 44 HG23 VAL 7 2HG2 VAL 7 -10.145 -4.606 5.609 45 H GLY 8 H GLY 8 -13.549 -8.394 4.844 46 HA2 GLY 8 1HA GLY 8 -15.834 -9.377 5.067 47 HA3 GLY 8 2HA GLY 8 -16.386 -7.822 5.676 48 H LEU 9 H LEU 9 -14.321 -6.931 3.341 49 HA LEU 9 HA LEU 9 -16.220 -7.117 1.054 50 HB2 LEU 9 1HB LEU 9 -15.591 -4.841 0.401 51 HB3 LEU 9 2HB LEU 9 -16.454 -4.892 1.913 52 HG LEU 9 HG LEU 9 -13.466 -4.875 2.136 53 HD11 LEU 9 1HD1 LEU 9 -13.395 -2.412 1.868 54 HD12 LEU 9 2HD1 LEU 9 -15.064 -2.448 1.262 55 HD13 LEU 9 3HD1 LEU 9 -13.765 -3.246 0.347 56 HD21 LEU 9 3HD2 LEU 9 -15.080 -4.802 4.099 57 HD22 LEU 9 1HD2 LEU 9 -15.467 -3.151 3.579 58 HD23 LEU 9 2HD2 LEU 9 -13.803 -3.576 4.042 59 H ARG 10 H ARG 10 -14.786 -6.100 -0.906 60 HA ARG 10 HA ARG 10 -12.428 -7.964 -1.205 61 HB2 ARG 10 1HB ARG 10 -14.618 -7.313 -3.221 62 HB3 ARG 10 2HB ARG 10 -13.108 -8.107 -3.661 63 HG2 ARG 10 1HG ARG 10 -15.042 -9.209 -1.582 64 HG3 ARG 10 2HG ARG 10 -15.087 -9.637 -3.287 65 HD2 ARG 10 1HD ARG 10 -12.382 -9.918 -2.131 66 HD3 ARG 10 2HD ARG 10 -13.591 -10.896 -1.285 67 HE ARG 10 HE ARG 10 -14.024 -11.354 -4.020 68 HH11 ARG 10 1HH1 ARG 10 -11.375 -11.945 -1.821 69 HH12 ARG 10 2HH1 ARG 10 -10.820 -13.335 -2.718 70 HH21 ARG 10 1HH2 ARG 10 -13.297 -13.147 -5.097 71 HH22 ARG 10 2HH2 ARG 10 -11.903 -14.002 -4.511 72 H GLU 11 H GLU 11 -13.716 -5.362 -3.141 73 HA GLU 11 HA GLU 11 -11.325 -3.648 -2.808 74 HB2 GLU 11 1HB GLU 11 -11.713 -5.419 -5.146 75 HB3 GLU 11 2HB GLU 11 -11.346 -3.752 -5.565 76 HG2 GLU 11 1HG GLU 11 -9.218 -3.830 -4.781 77 HG3 GLU 11 2HG GLU 11 -9.563 -4.920 -3.474 78 H ILE 12 H ILE 12 -14.414 -4.207 -4.492 79 HA ILE 12 HA ILE 12 -14.866 -1.574 -5.373 80 HB ILE 12 HB ILE 12 -16.110 -3.405 -6.257 81 HG12 ILE 12 1HG1 ILE 12 -18.380 -2.502 -6.261 82 HG13 ILE 12 2HG1 ILE 12 -18.043 -1.517 -4.840 83 HG21 ILE 12 1HG2 ILE 12 -16.365 -4.804 -4.193 84 HG22 ILE 12 2HG2 ILE 12 -17.617 -3.682 -3.626 85 HG23 ILE 12 3HG2 ILE 12 -17.862 -4.610 -5.111 86 HD11 ILE 12 3HD1 ILE 12 -17.989 -0.269 -7.022 87 HD12 ILE 12 1HD1 ILE 12 -16.483 -0.126 -6.109 88 HD13 ILE 12 2HD1 ILE 12 -16.575 -1.230 -7.502 89 H ILE 13 H ILE 13 -15.010 0.209 -4.324 90 HA ILE 13 HA ILE 13 -16.555 0.529 -1.833 91 HB ILE 13 HB ILE 13 -14.699 1.834 -0.834 92 HG12 ILE 13 1HG1 ILE 13 -12.325 0.926 -1.639 93 HG13 ILE 13 2HG1 ILE 13 -13.090 0.848 -3.205 94 HG21 ILE 13 1HG2 ILE 13 -13.679 0.038 0.220 95 HG22 ILE 13 2HG2 ILE 13 -15.286 -0.518 -0.228 96 HG23 ILE 13 3HG2 ILE 13 -13.875 -1.034 -1.184 97 HD11 ILE 13 3HD1 ILE 13 -11.831 2.940 -2.821 98 HD12 ILE 13 1HD1 ILE 13 -13.551 3.281 -3.110 99 HD13 ILE 13 2HD1 ILE 13 -12.864 3.348 -1.468 100 H SER 14 H SER 14 -16.447 2.928 -1.167 101 HA SER 14 HA SER 14 -16.803 4.691 -3.548 102 HB2 SER 14 1HB SER 14 -18.549 5.810 -2.476 103 HB3 SER 14 2HB SER 14 -18.887 4.105 -2.152 104 HG SER 14 HG SER 14 -19.068 5.495 -0.288 105 H GLU 15 H GLU 15 -16.647 7.075 -2.723 106 HA GLU 15 HA GLU 15 -13.983 7.698 -2.062 107 HB2 GLU 15 1HB GLU 15 -15.790 9.021 -3.237 108 HB3 GLU 15 2HB GLU 15 -16.442 9.452 -1.652 109 HG2 GLU 15 1HG GLU 15 -14.594 10.820 -1.145 110 HG3 GLU 15 2HG GLU 15 -13.533 9.954 -2.252 111 H GLU 16 H GLU 16 -16.534 6.856 0.193 112 HA GLU 16 HA GLU 16 -15.524 8.086 2.594 113 HB2 GLU 16 1HB GLU 16 -17.115 5.523 2.159 114 HB3 GLU 16 2HB GLU 16 -16.694 6.184 3.745 115 HG2 GLU 16 1HG GLU 16 -17.880 8.297 3.167 116 HG3 GLU 16 2HG GLU 16 -18.374 7.577 1.630 117 H ASP 17 H ASP 17 -14.965 4.779 1.304 118 HA ASP 17 HA ASP 17 -13.050 3.941 3.308 119 HB2 ASP 17 1HB ASP 17 -13.883 2.185 2.051 120 HB3 ASP 17 2HB ASP 17 -13.784 3.097 0.540 121 H VAL 18 H VAL 18 -12.703 5.559 0.137 122 HA VAL 18 HA VAL 18 -9.939 5.543 0.018 123 HB VAL 18 HB VAL 18 -11.679 7.763 -1.076 124 HG11 VAL 18 1HG1 VAL 18 -9.737 8.712 -1.623 125 HG12 VAL 18 2HG1 VAL 18 -8.768 7.292 -1.187 126 HG13 VAL 18 3HG1 VAL 18 -9.490 7.383 -2.772 127 HG21 VAL 18 3HG2 VAL 18 -11.386 6.309 -3.212 128 HG22 VAL 18 1HG2 VAL 18 -10.919 5.013 -2.100 129 HG23 VAL 18 2HG2 VAL 18 -12.514 5.753 -1.986 130 H LYS 19 H LYS 19 -11.977 7.665 1.991 131 HA LYS 19 HA LYS 19 -9.764 9.401 2.836 132 HB2 LYS 19 1HB LYS 19 -12.379 9.037 4.339 133 HB3 LYS 19 2HB LYS 19 -11.293 10.419 4.305 134 HG2 LYS 19 1HG LYS 19 -12.006 10.191 1.605 135 HG3 LYS 19 2HG LYS 19 -13.446 9.584 2.448 136 HD2 LYS 19 1HD LYS 19 -13.820 11.882 2.111 137 HD3 LYS 19 2HD LYS 19 -13.418 11.694 3.821 138 HE2 LYS 19 1HE LYS 19 -11.974 13.410 3.400 139 HE3 LYS 19 2HE LYS 19 -10.911 12.090 2.868 140 HZ1 LYS 19 3HZ LYS 19 -11.440 12.584 0.606 141 HZ2 LYS 19 1HZ LYS 19 -11.210 14.050 1.288 142 HZ3 LYS 19 2HZ LYS 19 -12.721 13.526 0.992 143 H GLN 20 H GLN 20 -11.537 6.669 4.332 144 HA GLN 20 HA GLN 20 -10.100 6.595 6.807 145 HB2 GLN 20 1HB GLN 20 -12.222 5.535 6.637 146 HB3 GLN 20 2HB GLN 20 -11.692 4.465 5.336 147 HG2 GLN 20 1HG GLN 20 -10.189 3.264 6.812 148 HG3 GLN 20 2HG GLN 20 -10.423 4.445 8.110 149 HE21 GLN 20 2HE2 GLN 20 -10.781 1.560 8.332 150 HE22 GLN 20 1HE2 GLN 20 -12.475 1.351 8.760 151 H VAL 21 H VAL 21 -9.575 4.668 3.824 152 HA VAL 21 HA VAL 21 -7.372 3.157 4.759 153 HB VAL 21 HB VAL 21 -8.699 2.636 2.773 154 HG11 VAL 21 1HG1 VAL 21 -8.663 3.735 0.817 155 HG12 VAL 21 2HG1 VAL 21 -8.525 5.112 1.890 156 HG13 VAL 21 3HG1 VAL 21 -7.073 4.515 1.083 157 HG21 VAL 21 3HG2 VAL 21 -6.929 1.766 1.386 158 HG22 VAL 21 1HG2 VAL 21 -5.760 2.898 2.085 159 HG23 VAL 21 2HG2 VAL 21 -6.451 1.609 3.090 160 H TYR 22 H TYR 22 -7.297 6.337 3.046 161 HA TYR 22 HA TYR 22 -4.482 6.667 3.040 162 HB2 TYR 22 1HB TYR 22 -6.855 8.482 2.935 163 HB3 TYR 22 2HB TYR 22 -5.344 9.209 3.433 164 HD1 TYR 22 HD2 TYR 22 -6.730 6.992 0.743 165 HD2 TYR 22 HD1 TYR 22 -3.807 9.958 1.835 166 HE1 TYR 22 HE2 TYR 22 -6.053 7.183 -1.635 167 HE2 TYR 22 HE1 TYR 22 -3.084 10.103 -0.547 168 HH TYR 22 HH TYR 22 -4.666 8.174 -3.123 169 H SER 23 H SER 23 -6.826 7.264 5.642 170 HA SER 23 HA SER 23 -5.027 8.389 7.552 171 HB2 SER 23 1HB SER 23 -7.740 7.992 7.421 172 HB3 SER 23 2HB SER 23 -7.274 6.807 8.647 173 HG SER 23 HG SER 23 -6.175 8.537 9.750 174 H ILE 24 H ILE 24 -5.619 5.026 6.662 175 HA ILE 24 HA ILE 24 -4.424 3.796 9.018 176 HB ILE 24 HB ILE 24 -4.730 2.620 6.222 177 HG12 ILE 24 1HG1 ILE 24 -6.556 2.255 8.642 178 HG13 ILE 24 2HG1 ILE 24 -6.905 3.313 7.284 179 HG21 ILE 24 1HG2 ILE 24 -4.559 0.441 7.460 180 HG22 ILE 24 2HG2 ILE 24 -3.079 1.379 7.489 181 HG23 ILE 24 3HG2 ILE 24 -4.132 1.342 8.922 182 HD11 ILE 24 3HD1 ILE 24 -6.800 0.297 7.246 183 HD12 ILE 24 1HD1 ILE 24 -8.125 1.392 6.805 184 HD13 ILE 24 2HD1 ILE 24 -6.696 1.262 5.759 185 H LEU 25 H LEU 25 -3.195 4.595 5.740 186 HA LEU 25 HA LEU 25 -0.484 3.853 6.542 187 HB2 LEU 25 1HB LEU 25 0.002 4.878 4.216 188 HB3 LEU 25 2HB LEU 25 -0.568 3.243 4.414 189 HG LEU 25 HG LEU 25 -2.577 5.421 3.875 190 HD11 LEU 25 1HD1 LEU 25 -2.241 5.492 1.613 191 HD12 LEU 25 2HD1 LEU 25 -1.395 3.933 1.526 192 HD13 LEU 25 3HD1 LEU 25 -0.548 5.343 2.117 193 HD21 LEU 25 3HD2 LEU 25 -3.703 3.556 2.738 194 HD22 LEU 25 1HD2 LEU 25 -3.268 3.021 4.371 195 HD23 LEU 25 2HD2 LEU 25 -2.284 2.507 3.008 196 H LYS 26 H LYS 26 -2.252 6.749 6.742 197 HA LYS 26 HA LYS 26 -0.254 8.706 6.503 198 HB2 LYS 26 1HB LYS 26 -2.948 8.649 7.281 199 HB3 LYS 26 2HB LYS 26 -2.152 9.189 8.737 200 HG2 LYS 26 1HG LYS 26 -2.772 11.131 7.481 201 HG3 LYS 26 2HG LYS 26 -1.018 10.973 7.372 202 HD2 LYS 26 1HD LYS 26 -1.581 9.675 5.090 203 HD3 LYS 26 2HD LYS 26 -3.157 10.403 5.270 204 HE2 LYS 26 1HE LYS 26 -1.723 11.700 3.772 205 HE3 LYS 26 2HE LYS 26 -2.185 12.662 5.177 206 HZ1 LYS 26 3HZ LYS 26 -0.028 12.638 5.966 207 HZ2 LYS 26 1HZ LYS 26 0.314 12.557 4.368 208 HZ3 LYS 26 2HZ LYS 26 0.373 11.209 5.278 209 H GLU 27 H GLU 27 -0.586 6.455 9.087 210 HA GLU 27 HA GLU 27 1.221 7.883 10.920 211 HB2 GLU 27 1HB GLU 27 -0.644 6.587 11.773 212 HB3 GLU 27 2HB GLU 27 -0.033 5.109 11.015 213 HG2 GLU 27 1HG GLU 27 1.734 4.896 12.526 214 HG3 GLU 27 2HG GLU 27 1.774 6.622 12.890 215 H LYS 28 H LYS 28 3.362 7.836 10.769 216 HA LYS 28 HA LYS 28 4.743 5.905 9.044 217 HB2 LYS 28 1HB LYS 28 5.548 8.471 10.437 218 HB3 LYS 28 2HB LYS 28 6.780 7.356 9.886 219 HG2 LYS 28 1HG LYS 28 6.504 8.951 8.177 220 HG3 LYS 28 2HG LYS 28 5.924 7.403 7.593 221 HD2 LYS 28 1HD LYS 28 4.577 9.260 6.799 222 HD3 LYS 28 2HD LYS 28 3.588 8.164 7.756 223 HE2 LYS 28 1HE LYS 28 3.600 9.669 9.650 224 HE3 LYS 28 2HE LYS 28 4.929 10.624 8.979 225 HZ1 LYS 28 3HZ LYS 28 3.387 11.307 7.188 226 HZ2 LYS 28 1HZ LYS 28 2.834 11.760 8.665 227 HZ3 LYS 28 2HZ LYS 28 2.171 10.460 7.925 228 H ASP 29 H ASP 29 3.845 5.781 12.190 229 HA ASP 29 HA ASP 29 6.179 4.553 13.414 230 HB2 ASP 29 1HB ASP 29 3.297 4.864 14.335 231 HB3 ASP 29 2HB ASP 29 4.609 4.268 15.340 232 H ILE 30 H ILE 30 4.369 3.251 11.125 233 HA ILE 30 HA ILE 30 3.794 0.588 12.193 234 HB ILE 30 HB ILE 30 2.887 0.132 9.970 235 HG12 ILE 30 1HG1 ILE 30 2.701 2.288 8.460 236 HG13 ILE 30 2HG1 ILE 30 4.162 2.782 9.277 237 HG21 ILE 30 1HG2 ILE 30 2.010 2.740 11.282 238 HG22 ILE 30 2HG2 ILE 30 1.117 1.963 9.994 239 HG23 ILE 30 3HG2 ILE 30 1.370 1.100 11.522 240 HD11 ILE 30 3HD1 ILE 30 5.362 0.826 8.356 241 HD12 ILE 30 1HD1 ILE 30 3.832 0.143 7.786 242 HD13 ILE 30 2HD1 ILE 30 4.489 1.595 7.051 243 H SER 31 H SER 31 6.625 1.963 11.092 244 HA SER 31 HA SER 31 7.716 0.443 9.097 245 HB2 SER 31 1HB SER 31 9.959 1.049 10.116 246 HB3 SER 31 2HB SER 31 8.848 2.365 9.713 247 HG SER 31 HG SER 31 9.857 2.560 11.814 248 H VAL 32 H VAL 32 7.676 -1.656 8.879 249 HA VAL 32 HA VAL 32 7.794 -3.559 11.002 250 HB VAL 32 HB VAL 32 8.003 -3.942 7.978 251 HG11 VAL 32 1HG1 VAL 32 9.019 -5.883 9.118 252 HG12 VAL 32 2HG1 VAL 32 7.608 -6.003 10.189 253 HG13 VAL 32 3HG1 VAL 32 7.455 -6.287 8.431 254 HG21 VAL 32 3HG2 VAL 32 5.664 -4.681 8.236 255 HG22 VAL 32 1HG2 VAL 32 5.711 -4.239 9.957 256 HG23 VAL 32 2HG2 VAL 32 5.869 -3.000 8.705 257 H ASP 33 H ASP 33 9.433 -4.323 12.100 258 HA ASP 33 HA ASP 33 12.194 -3.765 11.691 259 HB2 ASP 33 1HB ASP 33 10.547 -5.535 13.475 260 HB3 ASP 33 2HB ASP 33 12.225 -5.999 13.267 261 H SER 34 H SER 34 13.851 -4.802 10.656 262 HA SER 34 HA SER 34 13.384 -6.400 8.467 263 HB2 SER 34 1HB SER 34 16.039 -6.421 9.911 264 HB3 SER 34 2HB SER 34 15.713 -6.505 8.171 265 HG SER 34 HG SER 34 16.428 -4.415 8.872 266 H THR 35 H THR 35 14.139 -7.539 11.722 267 HA THR 35 HA THR 35 14.699 -10.298 11.144 268 HB THR 35 HB THR 35 13.477 -9.029 13.631 269 HG1 THR 35 HG1 THR 35 15.417 -8.363 13.948 270 HG21 THR 35 3HG2 THR 35 13.165 -11.455 13.748 271 HG22 THR 35 1HG2 THR 35 14.484 -10.977 14.824 272 HG23 THR 35 2HG2 THR 35 14.855 -11.726 13.255 273 H THR 36 H THR 36 11.634 -8.640 11.950 274 HA THR 36 HA THR 36 10.008 -11.041 11.508 275 HB THR 36 HB THR 36 9.138 -8.156 11.910 276 HG1 THR 36 HG1 THR 36 8.799 -8.947 14.068 277 HG21 THR 36 3HG2 THR 36 7.645 -10.796 12.309 278 HG22 THR 36 1HG2 THR 36 7.353 -9.641 11.001 279 HG23 THR 36 2HG2 THR 36 7.016 -9.167 12.668 280 H TRP 37 H TRP 37 11.055 -8.275 9.564 281 HA TRP 37 HA TRP 37 9.179 -8.147 7.614 282 HB2 TRP 37 1HB TRP 37 11.055 -6.670 7.613 283 HB3 TRP 37 2HB TRP 37 12.169 -7.989 7.269 284 HD1 TRP 37 HD1 TRP 37 13.139 -7.293 5.021 285 HE1 TRP 37 HE1 TRP 37 12.207 -6.987 2.639 286 HE3 TRP 37 HE3 TRP 37 8.136 -7.380 6.078 287 HZ2 TRP 37 HZ2 TRP 37 9.598 -6.961 1.349 288 HZ3 TRP 37 HZ3 TRP 37 6.477 -7.389 4.268 289 HH2 TRP 37 HH2 TRP 37 7.178 -7.215 1.907 290 H ASN 38 H ASN 38 11.816 -10.503 7.585 291 HA ASN 38 HA ASN 38 11.297 -11.846 5.188 292 HB2 ASN 38 1HB ASN 38 12.200 -13.028 7.854 293 HB3 ASN 38 2HB ASN 38 12.412 -13.790 6.273 294 HD21 ASN 38 2HD2 ASN 38 14.594 -13.317 7.997 295 HD22 ASN 38 1HD2 ASN 38 15.582 -12.070 7.246 296 H ARG 39 H ARG 39 9.488 -12.118 8.191 297 HA ARG 39 HA ARG 39 7.753 -14.337 7.236 298 HB2 ARG 39 1HB ARG 39 7.825 -12.794 9.870 299 HB3 ARG 39 2HB ARG 39 6.586 -13.962 9.440 300 HG2 ARG 39 1HG ARG 39 8.165 -15.067 10.824 301 HG3 ARG 39 2HG ARG 39 8.299 -15.736 9.190 302 HD2 ARG 39 1HD ARG 39 10.328 -14.497 8.779 303 HD3 ARG 39 2HD ARG 39 10.144 -13.582 10.297 304 HE ARG 39 HE ARG 39 10.296 -16.488 10.625 305 HH11 ARG 39 1HH1 ARG 39 12.296 -13.567 10.569 306 HH12 ARG 39 2HH1 ARG 39 13.675 -14.448 11.148 307 HH21 ARG 39 1HH2 ARG 39 12.073 -17.463 11.454 308 HH22 ARG 39 2HH2 ARG 39 13.544 -16.567 11.683 309 H ARG 40 H ARG 40 7.538 -10.879 8.021 310 HA ARG 40 HA ARG 40 4.792 -10.417 7.479 311 HB2 ARG 40 1HB ARG 40 7.143 -8.753 7.787 312 HB3 ARG 40 2HB ARG 40 6.181 -8.205 6.422 313 HG2 ARG 40 1HG ARG 40 5.288 -6.968 8.028 314 HG3 ARG 40 2HG ARG 40 4.142 -8.316 8.028 315 HD2 ARG 40 1HD ARG 40 5.182 -9.205 10.050 316 HD3 ARG 40 2HD ARG 40 6.527 -8.059 9.861 317 HE ARG 40 HE ARG 40 5.309 -6.342 10.757 318 HH11 ARG 40 1HH1 ARG 40 3.003 -8.980 10.300 319 HH12 ARG 40 2HH1 ARG 40 1.805 -8.149 11.244 320 HH21 ARG 40 1HH2 ARG 40 3.719 -5.371 11.897 321 HH22 ARG 40 2HH2 ARG 40 2.203 -6.182 12.130 322 H TYR 41 H TYR 41 7.479 -10.674 5.199 323 HA TYR 41 HA TYR 41 6.231 -9.963 2.814 324 HB2 TYR 41 1HB TYR 41 8.666 -10.823 3.366 325 HB3 TYR 41 2HB TYR 41 8.033 -12.386 2.880 326 HD1 TYR 41 HD2 TYR 41 6.615 -12.244 0.495 327 HD2 TYR 41 HD1 TYR 41 9.770 -9.595 1.771 328 HE1 TYR 41 HE2 TYR 41 6.910 -11.478 -1.841 329 HE2 TYR 41 HE1 TYR 41 10.093 -8.853 -0.606 330 HH TYR 41 HH TYR 41 8.762 -10.480 -3.256 331 H ARG 42 H ARG 42 5.972 -13.028 4.578 332 HA ARG 42 HA ARG 42 4.459 -14.459 2.576 333 HB2 ARG 42 1HB ARG 42 5.809 -15.436 4.590 334 HB3 ARG 42 2HB ARG 42 4.373 -15.076 5.549 335 HG2 ARG 42 1HG ARG 42 3.789 -17.198 4.898 336 HG3 ARG 42 2HG ARG 42 3.127 -16.340 3.516 337 HD2 ARG 42 1HD ARG 42 4.353 -17.960 2.408 338 HD3 ARG 42 2HD ARG 42 5.555 -16.680 2.486 339 HE ARG 42 HE ARG 42 6.812 -17.953 4.002 340 HH11 ARG 42 1HH1 ARG 42 3.682 -19.476 3.695 341 HH12 ARG 42 2HH1 ARG 42 4.142 -20.854 4.656 342 HH21 ARG 42 1HH2 ARG 42 7.345 -19.726 5.241 343 HH22 ARG 42 2HH2 ARG 42 6.169 -20.982 5.502 344 H GLU 43 H GLU 43 3.324 -13.000 5.673 345 HA GLU 43 HA GLU 43 0.547 -13.453 5.173 346 HB2 GLU 43 1HB GLU 43 0.099 -11.579 6.757 347 HB3 GLU 43 2HB GLU 43 1.130 -12.871 7.382 348 HG2 GLU 43 1HG GLU 43 3.109 -11.522 7.048 349 HG3 GLU 43 2HG GLU 43 2.152 -10.187 6.381 350 H TYR 44 H TYR 44 2.515 -10.560 4.381 351 HA TYR 44 HA TYR 44 0.444 -9.139 3.048 352 HB2 TYR 44 1HB TYR 44 3.445 -9.077 2.759 353 HB3 TYR 44 2HB TYR 44 2.366 -7.902 2.052 354 HD1 TYR 44 HD1 TYR 44 0.603 -8.253 4.948 355 HD2 TYR 44 HD2 TYR 44 4.529 -6.992 3.659 356 HE1 TYR 44 HE1 TYR 44 0.888 -7.036 7.062 357 HE2 TYR 44 HE2 TYR 44 4.848 -5.813 5.879 358 HH TYR 44 HH TYR 44 2.216 -5.682 8.296 359 H MET 45 H MET 45 2.762 -11.538 1.691 360 HA MET 45 HA MET 45 2.084 -11.267 -1.014 361 HB2 MET 45 1HB MET 45 3.267 -13.408 0.667 362 HB3 MET 45 2HB MET 45 2.306 -14.041 -0.647 363 HG2 MET 45 1HG MET 45 3.591 -12.420 -2.174 364 HG3 MET 45 2HG MET 45 4.728 -12.257 -0.836 365 HE1 MET 45 3HE MET 45 5.518 -14.527 -4.099 366 HE2 MET 45 1HE MET 45 5.495 -12.864 -3.479 367 HE3 MET 45 2HE MET 45 6.809 -13.971 -3.012 368 H GLU 46 H GLU 46 0.234 -12.924 1.536 369 HA GLU 46 HA GLU 46 -1.734 -14.039 -0.333 370 HB2 GLU 46 1HB GLU 46 -2.105 -13.687 2.647 371 HB3 GLU 46 2HB GLU 46 -2.945 -14.775 1.508 372 HG2 GLU 46 1HG GLU 46 -0.849 -16.000 1.115 373 HG3 GLU 46 2HG GLU 46 0.012 -14.900 2.178 374 H LYS 47 H LYS 47 -1.574 -11.191 1.810 375 HA LYS 47 HA LYS 47 -4.198 -10.228 1.426 376 HB2 LYS 47 1HB LYS 47 -1.563 -8.926 2.076 377 HB3 LYS 47 2HB LYS 47 -2.831 -7.887 1.467 378 HG2 LYS 47 1HG LYS 47 -2.853 -7.721 3.757 379 HG3 LYS 47 2HG LYS 47 -4.339 -8.547 3.268 380 HD2 LYS 47 1HD LYS 47 -3.675 -10.575 4.246 381 HD3 LYS 47 2HD LYS 47 -1.948 -10.126 4.243 382 HE2 LYS 47 1HE LYS 47 -2.130 -8.623 5.993 383 HE3 LYS 47 2HE LYS 47 -3.872 -8.416 5.793 384 HZ1 LYS 47 3HZ LYS 47 -4.257 -10.572 6.716 385 HZ2 LYS 47 1HZ LYS 47 -3.286 -9.776 7.756 386 HZ3 LYS 47 2HZ LYS 47 -2.660 -10.937 6.789 387 H ILE 48 H ILE 48 -1.603 -10.258 -0.895 388 HA ILE 48 HA ILE 48 -2.631 -8.291 -2.716 389 HB ILE 48 HB ILE 48 -0.992 -10.668 -3.586 390 HG12 ILE 48 1HG1 ILE 48 0.214 -10.038 -1.670 391 HG13 ILE 48 2HG1 ILE 48 1.042 -9.300 -3.022 392 HG21 ILE 48 1HG2 ILE 48 -1.018 -7.740 -4.429 393 HG22 ILE 48 2HG2 ILE 48 0.062 -9.002 -5.039 394 HG23 ILE 48 3HG2 ILE 48 -1.667 -9.106 -5.364 395 HD11 ILE 48 3HD1 ILE 48 1.017 -7.593 -1.455 396 HD12 ILE 48 1HD1 ILE 48 -0.353 -7.125 -2.462 397 HD13 ILE 48 2HD1 ILE 48 -0.660 -7.905 -0.917 398 H LYS 49 H LYS 49 -3.638 -11.484 -2.062 399 HA LYS 49 HA LYS 49 -5.353 -11.704 -4.530 400 HB2 LYS 49 1HB LYS 49 -4.172 -13.863 -2.739 401 HB3 LYS 49 2HB LYS 49 -5.136 -14.145 -4.189 402 HG2 LYS 49 1HG LYS 49 -3.436 -13.322 -5.641 403 HG3 LYS 49 2HG LYS 49 -2.499 -12.615 -4.322 404 HD2 LYS 49 1HD LYS 49 -2.967 -15.607 -4.570 405 HD3 LYS 49 2HD LYS 49 -1.575 -14.749 -5.245 406 HE2 LYS 49 1HE LYS 49 -1.778 -13.808 -2.577 407 HE3 LYS 49 2HE LYS 49 -2.119 -15.528 -2.442 408 HZ1 LYS 49 3HZ LYS 49 0.268 -15.028 -2.286 409 HZ2 LYS 49 1HZ LYS 49 0.273 -14.342 -3.758 410 HZ3 LYS 49 2HZ LYS 49 -0.003 -15.953 -3.612 411 H THR 50 H THR 50 -5.247 -12.032 -1.047 412 HA THR 50 HA THR 50 -8.196 -12.651 -0.939 413 HB THR 50 HB THR 50 -7.904 -13.760 1.083 414 HG1 THR 50 HG1 THR 50 -6.100 -13.656 2.334 415 HG21 THR 50 3HG2 THR 50 -6.876 -15.012 -0.884 416 HG22 THR 50 1HG2 THR 50 -6.283 -15.492 0.722 417 HG23 THR 50 2HG2 THR 50 -5.288 -14.442 -0.304 418 H GLY 51 H GLY 51 -5.734 -10.451 0.088 419 HA2 GLY 51 1HA GLY 51 -7.117 -9.199 2.260 420 HA3 GLY 51 2HA GLY 51 -5.681 -8.579 1.443 421 H SER 52 H SER 52 -8.183 -7.396 2.370 422 HA SER 52 HA SER 52 -9.581 -6.434 0.024 423 HB2 SER 52 1HB SER 52 -10.191 -6.747 2.696 424 HB3 SER 52 2HB SER 52 -9.909 -4.997 2.610 425 HG SER 52 HG SER 52 -11.690 -6.622 1.117 426 H VAL 53 H VAL 53 -10.051 -4.010 0.017 427 HA VAL 53 HA VAL 53 -7.942 -2.450 -0.917 428 HB VAL 53 HB VAL 53 -10.178 -1.863 -1.362 429 HG11 VAL 53 1HG1 VAL 53 -11.771 -1.052 0.207 430 HG12 VAL 53 2HG1 VAL 53 -11.287 -2.679 0.662 431 HG13 VAL 53 3HG1 VAL 53 -10.658 -1.274 1.554 432 HG21 VAL 53 3HG2 VAL 53 -9.194 0.378 0.432 433 HG22 VAL 53 1HG2 VAL 53 -8.483 -0.002 -1.152 434 HG23 VAL 53 2HG2 VAL 53 -10.177 0.481 -1.035 435 H PHE 54 H PHE 54 -9.266 -2.228 2.371 436 HA PHE 54 HA PHE 54 -7.410 -0.412 3.474 437 HB2 PHE 54 1HB PHE 54 -9.039 -2.672 4.701 438 HB3 PHE 54 2HB PHE 54 -8.176 -1.466 5.651 439 HD1 PHE 54 HD2 PHE 54 -8.729 1.115 4.626 440 HD2 PHE 54 HD1 PHE 54 -11.357 -2.301 4.565 441 HE1 PHE 54 HE2 PHE 54 -10.672 2.611 4.507 442 HE2 PHE 54 HE1 PHE 54 -13.321 -0.752 4.497 443 HZ PHE 54 HZ PHE 54 -12.976 1.686 4.558 444 H GLU 55 H GLU 55 -7.005 -3.798 2.782 445 HA GLU 55 HA GLU 55 -4.620 -4.106 4.508 446 HB2 GLU 55 1HB GLU 55 -5.971 -6.112 2.669 447 HB3 GLU 55 2HB GLU 55 -4.654 -6.399 3.802 448 HG2 GLU 55 1HG GLU 55 -6.065 -5.839 5.712 449 HG3 GLU 55 2HG GLU 55 -7.409 -5.421 4.642 450 H ILE 56 H ILE 56 -5.382 -4.257 0.954 451 HA ILE 56 HA ILE 56 -2.794 -4.532 -0.065 452 HB ILE 56 HB ILE 56 -5.212 -3.001 -1.061 453 HG12 ILE 56 1HG1 ILE 56 -5.358 -5.457 -0.917 454 HG13 ILE 56 2HG1 ILE 56 -5.519 -4.838 -2.555 455 HG21 ILE 56 1HG2 ILE 56 -2.593 -3.368 -2.569 456 HG22 ILE 56 2HG2 ILE 56 -4.159 -2.881 -3.271 457 HG23 ILE 56 3HG2 ILE 56 -3.370 -1.842 -2.113 458 HD11 ILE 56 3HD1 ILE 56 -3.098 -6.229 -1.352 459 HD12 ILE 56 1HD1 ILE 56 -4.235 -6.848 -2.565 460 HD13 ILE 56 2HD1 ILE 56 -3.139 -5.523 -2.985 461 H ALA 57 H ALA 57 -4.472 -1.499 0.813 462 HA ALA 57 HA ALA 57 -2.246 0.190 0.239 463 HB1 ALA 57 3HB ALA 57 -4.190 0.870 2.435 464 HB2 ALA 57 1HB ALA 57 -3.518 1.892 1.139 465 HB3 ALA 57 2HB ALA 57 -4.782 0.723 0.756 466 H GLU 58 H GLU 58 -2.982 -1.690 3.199 467 HA GLU 58 HA GLU 58 -0.840 -0.510 4.783 468 HB2 GLU 58 1HB GLU 58 -2.618 -2.944 5.060 469 HB3 GLU 58 2HB GLU 58 -1.069 -2.943 5.879 470 HG2 GLU 58 1HG GLU 58 -1.850 -0.536 6.681 471 HG3 GLU 58 2HG GLU 58 -3.440 -1.134 6.267 472 H VAL 59 H VAL 59 -1.121 -3.445 2.762 473 HA VAL 59 HA VAL 59 1.390 -4.576 3.192 474 HB VAL 59 HB VAL 59 -0.182 -4.519 0.574 475 HG11 VAL 59 1HG1 VAL 59 2.371 -5.836 1.391 476 HG12 VAL 59 2HG1 VAL 59 1.220 -6.776 0.450 477 HG13 VAL 59 3HG1 VAL 59 1.847 -5.246 -0.197 478 HG21 VAL 59 3HG2 VAL 59 -0.003 -6.916 2.373 479 HG22 VAL 59 1HG2 VAL 59 -1.131 -5.647 2.815 480 HG23 VAL 59 2HG2 VAL 59 -1.254 -6.398 1.217 481 H LEU 60 H LEU 60 0.678 -2.402 0.406 482 HA LEU 60 HA LEU 60 3.429 -2.178 -0.315 483 HB2 LEU 60 1HB LEU 60 2.592 -1.311 -2.093 484 HB3 LEU 60 2HB LEU 60 0.996 -1.418 -1.435 485 HG LEU 60 HG LEU 60 2.745 1.067 -1.054 486 HD11 LEU 60 1HD1 LEU 60 0.693 0.532 -3.210 487 HD12 LEU 60 2HD1 LEU 60 2.456 0.467 -3.413 488 HD13 LEU 60 3HD1 LEU 60 1.708 1.989 -2.972 489 HD21 LEU 60 3HD2 LEU 60 0.849 1.080 0.464 490 HD22 LEU 60 1HD2 LEU 60 -0.226 0.435 -0.776 491 HD23 LEU 60 2HD2 LEU 60 0.399 2.096 -0.879 492 H ARG 61 H ARG 61 1.589 -0.310 1.996 493 HA ARG 61 HA ARG 61 3.418 1.857 2.491 494 HB2 ARG 61 1HB ARG 61 1.092 1.950 3.198 495 HB3 ARG 61 2HB ARG 61 1.239 0.496 4.094 496 HG2 ARG 61 1HG ARG 61 3.075 1.958 5.483 497 HG3 ARG 61 2HG ARG 61 2.020 3.227 4.921 498 HD2 ARG 61 1HD ARG 61 1.137 2.568 6.981 499 HD3 ARG 61 2HD ARG 61 0.063 1.822 5.785 500 HE ARG 61 HE ARG 61 1.987 -0.136 6.418 501 HH11 ARG 61 1HH1 ARG 61 -0.582 1.547 8.146 502 HH12 ARG 61 2HH1 ARG 61 -0.826 0.189 9.204 503 HH21 ARG 61 1HH2 ARG 61 1.699 -1.717 7.877 504 HH22 ARG 61 2HH2 ARG 61 0.271 -1.709 8.887 505 H ASP 62 H ASP 62 3.028 -1.323 4.087 506 HA ASP 62 HA ASP 62 5.126 -1.040 5.992 507 HB2 ASP 62 1HB ASP 62 4.146 -3.567 4.599 508 HB3 ASP 62 2HB ASP 62 5.207 -3.517 6.000 509 H LEU 63 H LEU 63 5.252 -2.374 2.658 510 HA LEU 63 HA LEU 63 8.087 -2.763 2.602 511 HB2 LEU 63 1HB LEU 63 6.030 -2.466 0.385 512 HB3 LEU 63 2HB LEU 63 7.752 -2.674 0.086 513 HG LEU 63 HG LEU 63 7.586 -4.736 1.685 514 HD11 LEU 63 1HD1 LEU 63 5.411 -5.952 1.445 515 HD12 LEU 63 2HD1 LEU 63 4.704 -4.503 0.730 516 HD13 LEU 63 3HD1 LEU 63 5.262 -4.506 2.427 517 HD21 LEU 63 3HD2 LEU 63 6.453 -4.740 -1.133 518 HD22 LEU 63 1HD2 LEU 63 7.024 -6.177 -0.250 519 HD23 LEU 63 2HD2 LEU 63 8.156 -4.887 -0.646 520 H TYR 64 H TYR 64 6.192 0.105 1.560 521 HA TYR 64 HA TYR 64 8.382 1.656 0.599 522 HB2 TYR 64 1HB TYR 64 5.580 2.124 1.406 523 HB3 TYR 64 2HB TYR 64 6.621 3.480 1.755 524 HD1 TYR 64 HD1 TYR 64 7.914 4.614 -0.002 525 HD2 TYR 64 HD2 TYR 64 5.004 1.582 -0.919 526 HE1 TYR 64 HE1 TYR 64 7.707 5.489 -2.323 527 HE2 TYR 64 HE2 TYR 64 4.944 2.321 -3.262 528 HH TYR 64 HH TYR 64 6.881 5.190 -4.370 529 H LEU 65 H LEU 65 6.987 1.598 3.912 530 HA LEU 65 HA LEU 65 9.086 3.360 4.933 531 HB2 LEU 65 1HB LEU 65 6.922 1.721 6.298 532 HB3 LEU 65 2HB LEU 65 8.064 2.754 7.164 533 HG LEU 65 HG LEU 65 6.001 3.675 5.112 534 HD11 LEU 65 1HD1 LEU 65 5.956 3.311 7.979 535 HD12 LEU 65 2HD1 LEU 65 4.683 3.963 6.913 536 HD13 LEU 65 3HD1 LEU 65 5.902 5.020 7.643 537 HD21 LEU 65 3HD2 LEU 65 7.940 5.136 4.839 538 HD22 LEU 65 1HD2 LEU 65 8.123 5.281 6.607 539 HD23 LEU 65 2HD2 LEU 65 6.723 5.986 5.771 540 H LEU 66 H LEU 66 8.906 -0.074 4.555 541 HA LEU 66 HA LEU 66 10.861 -0.907 6.408 542 HB2 LEU 66 1HB LEU 66 9.543 -1.924 3.997 543 HB3 LEU 66 2HB LEU 66 11.198 -2.458 4.028 544 HG LEU 66 HG LEU 66 9.568 -2.661 6.575 545 HD11 LEU 66 1HD1 LEU 66 8.770 -4.878 5.905 546 HD12 LEU 66 2HD1 LEU 66 9.328 -4.577 4.233 547 HD13 LEU 66 3HD1 LEU 66 8.034 -3.606 4.949 548 HD21 LEU 66 3HD2 LEU 66 11.633 -4.480 5.260 549 HD22 LEU 66 1HD2 LEU 66 11.006 -4.585 6.921 550 HD23 LEU 66 2HD2 LEU 66 12.020 -3.217 6.449 551 H LYS 67 H LYS 67 11.298 0.598 3.263 552 HA LYS 67 HA LYS 67 14.268 0.614 3.568 553 HB2 LYS 67 1HB LYS 67 12.788 0.193 1.374 554 HB3 LYS 67 2HB LYS 67 12.845 1.956 1.287 555 HG2 LYS 67 1HG LYS 67 14.743 1.472 0.077 556 HG3 LYS 67 2HG LYS 67 15.472 1.500 1.688 557 HD2 LYS 67 1HD LYS 67 14.680 -1.123 1.554 558 HD3 LYS 67 2HD LYS 67 14.895 -0.800 -0.163 559 HE2 LYS 67 1HE LYS 67 16.948 -0.487 2.069 560 HE3 LYS 67 2HE LYS 67 16.908 -1.769 0.856 561 HZ1 LYS 67 3HZ LYS 67 18.515 -0.049 0.277 562 HZ2 LYS 67 1HZ LYS 67 17.370 1.112 0.274 563 HZ3 LYS 67 2HZ LYS 67 17.337 -0.074 -0.853 564 H GLY 68 H GLY 68 11.516 2.761 3.803 565 HA2 GLY 68 1HA GLY 68 11.339 4.856 4.828 566 HA3 GLY 68 2HA GLY 68 13.086 4.909 5.053 567 H ASP 69 H ASP 69 11.855 4.237 1.856 568 HA ASP 69 HA ASP 69 11.957 6.960 0.852 569 HB2 ASP 69 1HB ASP 69 13.819 6.646 -0.677 570 HB3 ASP 69 2HB ASP 69 14.336 6.515 0.992 571 H LYS 70 H LYS 70 11.940 6.760 -1.737 572 HA LYS 70 HA LYS 70 9.747 4.881 -2.439 573 HB2 LYS 70 1HB LYS 70 9.319 6.397 -4.336 574 HB3 LYS 70 2HB LYS 70 9.180 7.178 -2.789 575 HG2 LYS 70 1HG LYS 70 10.366 8.805 -3.732 576 HG3 LYS 70 2HG LYS 70 11.753 7.838 -3.247 577 HD2 LYS 70 1HD LYS 70 12.098 8.571 -5.464 578 HD3 LYS 70 2HD LYS 70 11.829 6.828 -5.511 579 HE2 LYS 70 1HE LYS 70 10.097 7.074 -6.942 580 HE3 LYS 70 2HE LYS 70 9.264 8.129 -5.803 581 HZ1 LYS 70 3HZ LYS 70 10.516 10.011 -6.723 582 HZ2 LYS 70 1HZ LYS 70 9.671 9.264 -7.902 583 HZ3 LYS 70 2HZ LYS 70 11.281 9.033 -7.788 584 H ASP 71 H ASP 71 12.987 4.937 -2.728 585 HA ASP 71 HA ASP 71 13.125 3.606 -5.390 586 HB2 ASP 71 1HB ASP 71 14.589 5.636 -4.664 587 HB3 ASP 71 2HB ASP 71 15.513 4.469 -3.736 588 H LEU 72 H LEU 72 11.804 2.026 -3.886 589 HA LEU 72 HA LEU 72 13.109 0.290 -2.053 590 HB2 LEU 72 1HB LEU 72 10.782 -0.260 -3.945 591 HB3 LEU 72 2HB LEU 72 11.301 -1.325 -2.652 592 HG LEU 72 HG LEU 72 10.037 1.423 -2.392 593 HD11 LEU 72 1HD1 LEU 72 8.667 -0.738 -2.569 594 HD12 LEU 72 2HD1 LEU 72 8.374 0.258 -1.132 595 HD13 LEU 72 3HD1 LEU 72 9.356 -1.211 -1.019 596 HD21 LEU 72 3HD2 LEU 72 11.379 -0.238 -0.226 597 HD22 LEU 72 1HD2 LEU 72 10.320 1.144 0.088 598 HD23 LEU 72 2HD2 LEU 72 11.832 1.421 -0.740 599 H SER 73 H SER 73 14.188 -1.651 -2.223 600 HA SER 73 HA SER 73 15.868 -2.035 -4.565 601 HB2 SER 73 1HB SER 73 16.446 -2.660 -2.134 602 HB3 SER 73 2HB SER 73 15.371 -4.064 -2.362 603 HG SER 73 HG SER 73 17.459 -4.680 -2.908 604 H PHE 74 H PHE 74 15.988 -4.211 -5.665 605 HA PHE 74 HA PHE 74 13.666 -4.923 -7.093 606 HB2 PHE 74 1HB PHE 74 15.924 -5.508 -7.806 607 HB3 PHE 74 2HB PHE 74 16.113 -6.599 -6.438 608 HD1 PHE 74 HD2 PHE 74 14.193 -6.035 -9.602 609 HD2 PHE 74 HD1 PHE 74 15.261 -8.855 -6.513 610 HE1 PHE 74 HE2 PHE 74 13.205 -7.885 -10.940 611 HE2 PHE 74 HE1 PHE 74 14.301 -10.698 -7.866 612 HZ PHE 74 HZ PHE 74 13.280 -10.217 -10.087 613 H GLY 75 H GLY 75 14.951 -6.501 -4.143 614 HA2 GLY 75 1HA GLY 75 13.059 -8.573 -3.884 615 HA3 GLY 75 2HA GLY 75 13.911 -7.837 -2.522 616 H GLU 76 H GLU 76 12.849 -5.288 -2.318 617 HA GLU 76 HA GLU 76 10.158 -5.812 -1.363 618 HB2 GLU 76 1HB GLU 76 11.732 -3.233 -1.658 619 HB3 GLU 76 2HB GLU 76 10.102 -3.324 -1.024 620 HG2 GLU 76 1HG GLU 76 10.919 -3.669 0.998 621 HG3 GLU 76 2HG GLU 76 11.393 -5.278 0.487 622 H ARG 77 H ARG 77 11.448 -4.185 -4.250 623 HA ARG 77 HA ARG 77 9.043 -3.180 -5.318 624 HB2 ARG 77 1HB ARG 77 11.361 -2.615 -6.064 625 HB3 ARG 77 2HB ARG 77 11.455 -4.189 -6.854 626 HG2 ARG 77 1HG ARG 77 11.008 -2.465 -8.473 627 HG3 ARG 77 2HG ARG 77 9.590 -3.510 -8.379 628 HD2 ARG 77 1HD ARG 77 8.351 -1.862 -7.135 629 HD3 ARG 77 2HD ARG 77 9.817 -0.904 -6.823 630 HE ARG 77 HE ARG 77 9.432 -1.116 -9.648 631 HH11 ARG 77 1HH1 ARG 77 8.013 0.570 -6.948 632 HH12 ARG 77 2HH1 ARG 77 7.396 1.853 -7.953 633 HH21 ARG 77 1HH2 ARG 77 8.753 0.619 -10.857 634 HH22 ARG 77 2HH2 ARG 77 7.881 1.912 -10.097 635 H LYS 78 H LYS 78 10.313 -6.469 -5.584 636 HA LYS 78 HA LYS 78 8.660 -7.571 -7.561 637 HB2 LYS 78 1HB LYS 78 9.593 -8.795 -4.946 638 HB3 LYS 78 2HB LYS 78 8.746 -9.709 -6.177 639 HG2 LYS 78 1HG LYS 78 11.007 -8.330 -7.407 640 HG3 LYS 78 2HG LYS 78 11.534 -9.156 -5.941 641 HD2 LYS 78 1HD LYS 78 11.837 -10.791 -7.551 642 HD3 LYS 78 2HD LYS 78 10.281 -11.242 -6.865 643 HE2 LYS 78 1HE LYS 78 9.154 -10.001 -8.759 644 HE3 LYS 78 2HE LYS 78 10.753 -9.624 -9.418 645 HZ1 LYS 78 3HZ LYS 78 9.840 -11.581 -10.501 646 HZ2 LYS 78 1HZ LYS 78 9.627 -12.357 -9.083 647 HZ3 LYS 78 2HZ LYS 78 11.136 -12.046 -9.626 648 H MET 79 H MET 79 7.763 -7.561 -4.081 649 HA MET 79 HA MET 79 4.984 -8.301 -4.716 650 HB2 MET 79 1HB MET 79 6.147 -9.029 -2.629 651 HB3 MET 79 2HB MET 79 6.155 -7.347 -2.087 652 HG2 MET 79 1HG MET 79 3.474 -7.752 -2.704 653 HG3 MET 79 2HG MET 79 3.961 -9.356 -2.186 654 HE1 MET 79 3HE MET 79 5.209 -8.641 1.473 655 HE2 MET 79 1HE MET 79 4.824 -9.909 0.280 656 HE3 MET 79 2HE MET 79 6.168 -8.775 -0.010 657 H LEU 80 H LEU 80 6.690 -5.285 -3.761 658 HA LEU 80 HA LEU 80 4.458 -3.622 -3.377 659 HB2 LEU 80 1HB LEU 80 6.861 -2.992 -2.937 660 HB3 LEU 80 2HB LEU 80 7.091 -2.918 -4.682 661 HG LEU 80 HG LEU 80 4.951 -1.239 -4.433 662 HD11 LEU 80 1HD1 LEU 80 6.441 -0.291 -2.067 663 HD12 LEU 80 2HD1 LEU 80 5.279 -1.606 -1.838 664 HD13 LEU 80 3HD1 LEU 80 4.760 -0.078 -2.553 665 HD21 LEU 80 3HD2 LEU 80 6.616 -0.465 -5.720 666 HD22 LEU 80 1HD2 LEU 80 7.889 -0.763 -4.538 667 HD23 LEU 80 2HD2 LEU 80 6.801 0.614 -4.303 668 H ASP 81 H ASP 81 6.116 -4.339 -6.506 669 HA ASP 81 HA ASP 81 4.639 -2.711 -8.240 670 HB2 ASP 81 1HB ASP 81 6.605 -3.966 -8.900 671 HB3 ASP 81 2HB ASP 81 5.792 -5.500 -8.587 672 H THR 82 H THR 82 3.716 -5.906 -6.941 673 HA THR 82 HA THR 82 1.236 -6.095 -8.412 674 HB THR 82 HB THR 82 1.601 -7.568 -5.822 675 HG1 THR 82 HG1 THR 82 3.110 -8.887 -6.601 676 HG21 THR 82 3HG2 THR 82 0.719 -9.424 -7.218 677 HG22 THR 82 1HG2 THR 82 0.825 -8.407 -8.665 678 HG23 THR 82 2HG2 THR 82 -0.326 -7.995 -7.374 679 H ALA 83 H ALA 83 2.027 -5.256 -4.996 680 HA ALA 83 HA ALA 83 -0.663 -4.622 -4.238 681 HB1 ALA 83 3HB ALA 83 1.157 -5.197 -2.665 682 HB2 ALA 83 1HB ALA 83 1.934 -3.632 -3.006 683 HB3 ALA 83 2HB ALA 83 0.324 -3.694 -2.239 684 H ARG 84 H ARG 84 1.767 -2.647 -5.837 685 HA ARG 84 HA ARG 84 0.564 -0.037 -5.617 686 HB2 ARG 84 1HB ARG 84 2.479 -1.353 -7.574 687 HB3 ARG 84 2HB ARG 84 1.847 0.246 -7.931 688 HG2 ARG 84 1HG ARG 84 3.097 -0.383 -5.267 689 HG3 ARG 84 2HG ARG 84 4.105 0.009 -6.658 690 HD2 ARG 84 1HD ARG 84 1.775 1.837 -6.011 691 HD3 ARG 84 2HD ARG 84 3.184 1.907 -4.981 692 HE ARG 84 HE ARG 84 2.972 2.906 -7.704 693 HH11 ARG 84 1HH1 ARG 84 5.284 1.634 -5.493 694 HH12 ARG 84 2HH1 ARG 84 6.359 2.977 -5.698 695 HH21 ARG 84 1HH2 ARG 84 4.620 4.323 -8.319 696 HH22 ARG 84 2HH2 ARG 84 6.160 4.229 -7.525 697 H SER 85 H SER 85 0.423 -2.397 -8.263 698 HA SER 85 HA SER 85 -1.493 -1.067 -9.876 699 HB2 SER 85 1HB SER 85 0.022 -3.018 -10.472 700 HB3 SER 85 2HB SER 85 -1.194 -4.078 -9.728 701 HG SER 85 HG SER 85 -1.344 -3.579 -12.102 702 H LEU 86 H LEU 86 -1.952 -2.869 -6.960 703 HA LEU 86 HA LEU 86 -4.887 -2.978 -7.264 704 HB2 LEU 86 1HB LEU 86 -2.965 -4.045 -5.170 705 HB3 LEU 86 2HB LEU 86 -4.719 -4.162 -5.020 706 HG LEU 86 HG LEU 86 -3.176 -5.324 -7.383 707 HD11 LEU 86 1HD1 LEU 86 -4.258 -6.748 -4.936 708 HD12 LEU 86 2HD1 LEU 86 -2.546 -6.349 -5.226 709 HD13 LEU 86 3HD1 LEU 86 -3.389 -7.466 -6.309 710 HD21 LEU 86 3HD2 LEU 86 -5.428 -6.735 -7.340 711 HD22 LEU 86 1HD2 LEU 86 -5.377 -5.152 -8.127 712 HD23 LEU 86 2HD2 LEU 86 -6.068 -5.316 -6.496 713 H LEU 87 H LEU 87 -2.508 -1.328 -5.125 714 HA LEU 87 HA LEU 87 -4.157 0.071 -3.408 715 HB2 LEU 87 1HB LEU 87 -1.715 0.271 -3.304 716 HB3 LEU 87 2HB LEU 87 -1.667 1.031 -4.898 717 HG LEU 87 HG LEU 87 -3.079 2.940 -3.906 718 HD11 LEU 87 1HD1 LEU 87 -3.728 1.814 -1.775 719 HD12 LEU 87 2HD1 LEU 87 -2.816 3.310 -1.488 720 HD13 LEU 87 3HD1 LEU 87 -2.015 1.742 -1.322 721 HD21 LEU 87 3HD2 LEU 87 -0.325 2.685 -2.839 722 HD22 LEU 87 1HD2 LEU 87 -1.238 4.142 -3.218 723 HD23 LEU 87 2HD2 LEU 87 -0.703 3.079 -4.530 724 H ILE 88 H ILE 88 -3.127 1.270 -6.622 725 HA ILE 88 HA ILE 88 -4.993 3.442 -6.462 726 HB ILE 88 HB ILE 88 -4.314 4.223 -8.467 727 HG12 ILE 88 1HG1 ILE 88 -4.829 2.323 -9.942 728 HG13 ILE 88 2HG1 ILE 88 -3.253 3.029 -10.288 729 HG21 ILE 88 1HG2 ILE 88 -2.468 4.007 -6.766 730 HG22 ILE 88 2HG2 ILE 88 -1.819 2.683 -7.719 731 HG23 ILE 88 3HG2 ILE 88 -2.006 4.301 -8.447 732 HD11 ILE 88 3HD1 ILE 88 -3.367 0.541 -10.411 733 HD12 ILE 88 1HD1 ILE 88 -2.105 1.175 -9.348 734 HD13 ILE 88 2HD1 ILE 88 -3.612 0.520 -8.653 735 H LYS 89 H LYS 89 -5.495 0.204 -7.334 736 HA LYS 89 HA LYS 89 -7.568 0.387 -9.314 737 HB2 LYS 89 1HB LYS 89 -6.187 -1.690 -8.432 738 HB3 LYS 89 2HB LYS 89 -7.465 -1.821 -7.230 739 HG2 LYS 89 1HG LYS 89 -8.281 -3.232 -8.834 740 HG3 LYS 89 2HG LYS 89 -9.081 -1.733 -9.304 741 HD2 LYS 89 1HD LYS 89 -8.228 -2.460 -11.357 742 HD3 LYS 89 2HD LYS 89 -6.922 -1.388 -10.821 743 HE2 LYS 89 1HE LYS 89 -5.868 -3.509 -9.749 744 HE3 LYS 89 2HE LYS 89 -7.075 -4.430 -10.657 745 HZ1 LYS 89 3HZ LYS 89 -6.141 -3.307 -12.694 746 HZ2 LYS 89 1HZ LYS 89 -5.089 -4.318 -11.958 747 HZ3 LYS 89 2HZ LYS 89 -4.926 -2.710 -11.762 748 H GLU 90 H GLU 90 -7.716 0.153 -5.789 749 HA GLU 90 HA GLU 90 -10.651 0.219 -5.707 750 HB2 GLU 90 1HB GLU 90 -8.833 0.730 -3.345 751 HB3 GLU 90 2HB GLU 90 -10.456 0.078 -3.379 752 HG2 GLU 90 1HG GLU 90 -9.669 -1.991 -3.406 753 HG3 GLU 90 2HG GLU 90 -8.997 -1.725 -4.978 754 H LEU 91 H LEU 91 -8.017 2.353 -4.729 755 HA LEU 91 HA LEU 91 -9.519 4.646 -4.020 756 HB2 LEU 91 1HB LEU 91 -6.627 4.332 -4.958 757 HB3 LEU 91 2HB LEU 91 -7.287 5.764 -4.136 758 HG LEU 91 HG LEU 91 -7.152 2.967 -2.923 759 HD11 LEU 91 1HD1 LEU 91 -5.326 5.361 -2.583 760 HD12 LEU 91 2HD1 LEU 91 -4.930 3.715 -3.085 761 HD13 LEU 91 3HD1 LEU 91 -5.413 4.014 -1.420 762 HD21 LEU 91 3HD2 LEU 91 -7.385 5.211 -1.068 763 HD22 LEU 91 1HD2 LEU 91 -8.325 3.698 -1.237 764 HD23 LEU 91 2HD2 LEU 91 -8.749 5.128 -2.158 765 H SER 92 H SER 92 -8.680 3.491 -7.129 766 HA SER 92 HA SER 92 -8.714 5.494 -8.914 767 HB2 SER 92 1HB SER 92 -8.682 3.114 -9.531 768 HB3 SER 92 2HB SER 92 -10.383 2.964 -9.069 769 HG SER 92 HG SER 92 -10.249 3.217 -11.275 770 H LEU 93 H LEU 93 -11.571 4.428 -7.161 771 HA LEU 93 HA LEU 93 -13.569 5.829 -8.543 772 HB2 LEU 93 1HB LEU 93 -13.600 4.028 -6.591 773 HB3 LEU 93 2HB LEU 93 -13.669 5.428 -5.539 774 HG LEU 93 HG LEU 93 -15.864 4.524 -5.922 775 HD11 LEU 93 1HD1 LEU 93 -15.662 7.006 -5.740 776 HD12 LEU 93 2HD1 LEU 93 -17.100 6.454 -6.618 777 HD13 LEU 93 3HD1 LEU 93 -15.723 7.102 -7.519 778 HD21 LEU 93 3HD2 LEU 93 -15.558 5.062 -8.903 779 HD22 LEU 93 1HD2 LEU 93 -16.947 4.354 -8.066 780 HD23 LEU 93 2HD2 LEU 93 -15.416 3.466 -8.136 781 H ALA 94 H ALA 94 -11.969 6.896 -5.542 782 HA ALA 94 HA ALA 94 -13.033 9.610 -5.698 783 HB1 ALA 94 3HB ALA 94 -12.494 8.386 -3.577 784 HB2 ALA 94 1HB ALA 94 -10.772 8.507 -4.028 785 HB3 ALA 94 2HB ALA 94 -11.697 9.975 -3.700 786 H LYS 95 H LYS 95 -10.061 8.055 -6.780 787 HA LYS 95 HA LYS 95 -8.298 10.196 -7.095 788 HB2 LYS 95 1HB LYS 95 -7.055 8.630 -7.980 789 HB3 LYS 95 2HB LYS 95 -8.437 7.537 -7.984 790 HG2 LYS 95 1HG LYS 95 -8.991 8.328 -10.289 791 HG3 LYS 95 2HG LYS 95 -7.503 9.287 -10.266 792 HD2 LYS 95 1HD LYS 95 -6.268 7.500 -10.853 793 HD3 LYS 95 2HD LYS 95 -6.934 6.503 -9.569 794 HE2 LYS 95 1HE LYS 95 -8.963 6.087 -10.950 795 HE3 LYS 95 2HE LYS 95 -8.274 7.035 -12.258 796 HZ1 LYS 95 3HZ LYS 95 -7.953 4.593 -12.452 797 HZ2 LYS 95 1HZ LYS 95 -6.962 4.604 -11.163 798 HZ3 LYS 95 2HZ LYS 95 -6.547 5.422 -12.533 799 H ASP 96 H ASP 96 -10.943 9.311 -9.211 800 HA ASP 96 HA ASP 96 -11.870 10.218 -11.085 801 HB2 ASP 96 1HB ASP 96 -12.700 11.444 -9.018 802 HB3 ASP 96 2HB ASP 96 -11.679 12.792 -9.507 803 H CYS 97 H CYS 97 -9.114 9.989 -11.447 804 HA CYS 97 HA CYS 97 -8.369 11.845 -13.544 805 HB2 CYS 97 1HB CYS 97 -7.911 12.823 -11.024 806 HB3 CYS 97 2HB CYS 97 -6.416 11.914 -11.271 807 HG CYS 97 HG CYS 97 -7.890 14.222 -13.140 808 H SER 98 H SER 98 -5.622 11.419 -13.569 809 HA SER 98 HA SER 98 -5.302 8.698 -14.526 810 HB2 SER 98 1HB SER 98 -3.310 10.911 -13.866 811 HB3 SER 98 2HB SER 98 -2.859 9.365 -14.609 812 HG SER 98 HG SER 98 -3.220 10.943 -16.207 813 H GLU 99 H GLU 99 -3.742 7.099 -13.676 814 HA GLU 99 HA GLU 99 -4.049 6.427 -10.927 815 HB2 GLU 99 1HB GLU 99 -1.902 5.568 -12.901 816 HB3 GLU 99 2HB GLU 99 -2.112 4.886 -11.272 817 HG2 GLU 99 1HG GLU 99 -4.451 4.255 -11.866 818 HG3 GLU 99 2HG GLU 99 -4.209 4.876 -13.499 819 H ASP 100 H ASP 100 -1.667 8.480 -12.427 820 HA ASP 100 HA ASP 100 0.312 8.775 -10.487 821 HB2 ASP 100 1HB ASP 100 -0.947 10.676 -12.478 822 HB3 ASP 100 2HB ASP 100 0.193 11.291 -11.295 823 H GLU 101 H GLU 101 -3.089 9.915 -10.198 824 HA GLU 101 HA GLU 101 -2.718 11.851 -8.142 825 HB2 GLU 101 1HB GLU 101 -4.866 11.550 -9.294 826 HB3 GLU 101 2HB GLU 101 -4.973 9.897 -8.738 827 HG2 GLU 101 1HG GLU 101 -5.947 10.462 -6.866 828 HG3 GLU 101 2HG GLU 101 -4.626 11.487 -6.364 829 H ILE 102 H ILE 102 -3.351 8.328 -7.876 830 HA ILE 102 HA ILE 102 -2.842 8.344 -4.976 831 HB ILE 102 HB ILE 102 -3.467 6.117 -6.884 832 HG12 ILE 102 1HG1 ILE 102 -5.462 6.877 -4.810 833 HG13 ILE 102 2HG1 ILE 102 -5.195 8.169 -5.959 834 HG21 ILE 102 1HG2 ILE 102 -4.025 4.828 -4.835 835 HG22 ILE 102 2HG2 ILE 102 -2.310 5.235 -4.906 836 HG23 ILE 102 3HG2 ILE 102 -3.374 6.146 -3.829 837 HD11 ILE 102 3HD1 ILE 102 -5.622 6.722 -7.837 838 HD12 ILE 102 1HD1 ILE 102 -5.810 5.313 -6.788 839 HD13 ILE 102 2HD1 ILE 102 -6.969 6.629 -6.666 840 H GLU 103 H GLU 103 -1.192 7.102 -7.916 841 HA GLU 103 HA GLU 103 0.895 5.703 -6.624 842 HB2 GLU 103 1HB GLU 103 0.436 6.867 -9.327 843 HB3 GLU 103 2HB GLU 103 2.125 6.679 -8.901 844 HG2 GLU 103 1HG GLU 103 1.828 4.329 -8.382 845 HG3 GLU 103 2HG GLU 103 0.105 4.426 -8.687 846 H SER 104 H SER 104 0.775 9.193 -7.640 847 HA SER 104 HA SER 104 3.381 9.788 -6.461 848 HB2 SER 104 1HB SER 104 1.189 11.680 -7.403 849 HB3 SER 104 2HB SER 104 2.795 12.141 -6.872 850 HG SER 104 HG SER 104 3.423 10.423 -8.607 851 H ASP 105 H ASP 105 -0.015 10.035 -5.271 852 HA ASP 105 HA ASP 105 0.565 11.654 -3.019 853 HB2 ASP 105 1HB ASP 105 -1.609 9.703 -3.685 854 HB3 ASP 105 2HB ASP 105 -1.382 10.117 -2.004 855 H LEU 106 H LEU 106 1.592 8.385 -3.538 856 HA LEU 106 HA LEU 106 1.994 7.547 -0.867 857 HB2 LEU 106 1HB LEU 106 3.798 7.073 -3.288 858 HB3 LEU 106 2HB LEU 106 3.813 6.136 -1.800 859 HG LEU 106 HG LEU 106 1.524 6.309 -3.791 860 HD11 LEU 106 1HD1 LEU 106 3.480 4.969 -4.543 861 HD12 LEU 106 2HD1 LEU 106 1.995 4.025 -4.359 862 HD13 LEU 106 3HD1 LEU 106 3.269 3.927 -3.120 863 HD21 LEU 106 3HD2 LEU 106 1.189 4.117 -1.971 864 HD22 LEU 106 1HD2 LEU 106 0.141 5.530 -2.241 865 HD23 LEU 106 2HD2 LEU 106 1.393 5.567 -1.014 866 H LYS 107 H LYS 107 3.896 9.826 -2.786 867 HA LYS 107 HA LYS 107 6.060 10.168 -0.888 868 HB2 LYS 107 1HB LYS 107 6.869 11.798 -2.257 869 HB3 LYS 107 2HB LYS 107 5.920 10.854 -3.396 870 HG2 LYS 107 1HG LYS 107 4.026 12.575 -2.996 871 HG3 LYS 107 2HG LYS 107 5.185 13.511 -2.071 872 HD2 LYS 107 1HD LYS 107 4.901 14.378 -4.310 873 HD3 LYS 107 2HD LYS 107 6.571 13.891 -4.025 874 HE2 LYS 107 1HE LYS 107 6.487 12.118 -5.498 875 HE3 LYS 107 2HE LYS 107 4.754 11.851 -5.259 876 HZ1 LYS 107 3HZ LYS 107 5.909 14.121 -6.798 877 HZ2 LYS 107 1HZ LYS 107 4.316 13.860 -6.570 878 HZ3 LYS 107 2HZ LYS 107 5.198 12.809 -7.458 879 H LYS 108 H LYS 108 2.819 11.377 -0.954 880 HA LYS 108 HA LYS 108 3.260 13.420 1.165 881 HB2 LYS 108 1HB LYS 108 0.659 12.643 -0.232 882 HB3 LYS 108 2HB LYS 108 0.968 14.039 0.795 883 HG2 LYS 108 1HG LYS 108 2.855 14.569 -1.007 884 HG3 LYS 108 2HG LYS 108 1.876 13.529 -2.050 885 HD2 LYS 108 1HD LYS 108 0.820 15.950 -0.524 886 HD3 LYS 108 2HD LYS 108 1.411 16.026 -2.188 887 HE2 LYS 108 1HE LYS 108 -0.334 14.589 -2.998 888 HE3 LYS 108 2HE LYS 108 -0.820 14.137 -1.362 889 HZ1 LYS 108 3HZ LYS 108 -1.287 16.670 -1.135 890 HZ2 LYS 108 1HZ LYS 108 -2.366 15.737 -1.928 891 HZ3 LYS 108 2HZ LYS 108 -1.326 16.669 -2.769 892 H ILE 109 H ILE 109 2.304 10.120 0.900 893 HA ILE 109 HA ILE 109 1.069 10.102 3.587 894 HB ILE 109 HB ILE 109 1.477 7.808 1.677 895 HG12 ILE 109 1HG1 ILE 109 -1.265 8.944 2.254 896 HG13 ILE 109 2HG1 ILE 109 -0.293 9.826 1.106 897 HG21 ILE 109 1HG2 ILE 109 1.172 6.766 3.684 898 HG22 ILE 109 2HG2 ILE 109 0.353 8.139 4.435 899 HG23 ILE 109 3HG2 ILE 109 -0.547 7.090 3.367 900 HD11 ILE 109 3HD1 ILE 109 -1.890 7.699 0.439 901 HD12 ILE 109 1HD1 ILE 109 -0.518 8.254 -0.526 902 HD13 ILE 109 2HD1 ILE 109 -0.318 6.899 0.573 903 H PHE 110 H PHE 110 3.621 8.076 2.012 904 HA PHE 110 HA PHE 110 4.667 7.261 4.601 905 HB2 PHE 110 1HB PHE 110 6.020 6.809 1.963 906 HB3 PHE 110 2HB PHE 110 6.062 5.802 3.385 907 HD1 PHE 110 HD1 PHE 110 3.196 5.384 4.029 908 HD2 PHE 110 HD2 PHE 110 5.181 5.491 0.202 909 HE1 PHE 110 HE1 PHE 110 1.383 4.049 2.984 910 HE2 PHE 110 HE2 PHE 110 3.450 4.051 -0.751 911 HZ PHE 110 HZ PHE 110 1.493 3.381 0.630 912 H ASN 111 H ASN 111 5.258 9.891 2.555 913 HA ASN 111 HA ASN 111 6.654 11.639 2.461 914 HB2 ASN 111 1HB ASN 111 6.007 11.768 4.843 915 HB3 ASN 111 2HB ASN 111 7.504 10.932 5.266 916 HD21 ASN 111 2HD2 ASN 111 6.457 13.748 3.197 917 HD22 ASN 111 1HD2 ASN 111 7.792 14.750 3.741 918 H LEU 112 H LEU 112 7.744 10.770 0.728 919 HA LEU 112 HA LEU 112 10.448 9.582 1.247 920 HB2 LEU 112 1HB LEU 112 8.804 9.370 -1.293 921 HB3 LEU 112 2HB LEU 112 10.321 8.584 -0.921 922 HG LEU 112 HG LEU 112 8.953 6.829 -0.621 923 HD11 LEU 112 1HD1 LEU 112 9.935 7.267 1.681 924 HD12 LEU 112 2HD1 LEU 112 8.520 6.211 1.591 925 HD13 LEU 112 3HD1 LEU 112 8.342 7.879 2.133 926 HD21 LEU 112 3HD2 LEU 112 6.963 8.106 -1.296 927 HD22 LEU 112 1HD2 LEU 112 6.698 8.517 0.430 928 HD23 LEU 112 2HD2 LEU 112 6.683 6.838 -0.136 929 H ALA 113 H ALA 113 8.962 11.459 -1.399 930 HA ALA 113 HA ALA 113 11.311 12.687 -2.388 931 HB1 ALA 113 3HB ALA 113 8.432 13.614 -2.635 932 HB2 ALA 113 1HB ALA 113 9.773 14.009 -3.724 933 HB3 ALA 113 2HB ALA 113 9.184 12.340 -3.635 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -1.045 -9.930 10.978 2 H2 GLY 1 2H GLY 1 -1.220 -8.813 12.166 3 H3 GLY 1 3H GLY 1 -1.234 -10.404 12.538 4 HA2 GLY 1 1HA GLY 1 -3.486 -9.787 12.633 5 HA3 GLY 1 2HA GLY 1 -3.296 -8.830 11.158 6 H SER 2 H SER 2 -2.886 -12.241 12.235 7 HA SER 2 HA SER 2 -3.797 -13.179 9.550 8 HB2 SER 2 1HB SER 2 -2.484 -14.831 11.726 9 HB3 SER 2 2HB SER 2 -2.673 -15.220 10.008 10 HG SER 2 HG SER 2 -0.549 -14.368 10.792 11 H HIS 3 H HIS 3 -4.298 -13.870 13.032 12 HA HIS 3 HA HIS 3 -6.462 -15.676 12.730 13 HB2 HIS 3 1HB HIS 3 -4.953 -15.183 14.779 14 HB3 HIS 3 2HB HIS 3 -6.029 -13.833 15.118 15 HD1 HIS 3 HD1 HIS 3 -6.722 -15.045 17.435 16 HD2 HIS 3 HD2 HIS 3 -7.524 -17.212 13.889 17 HE1 HIS 3 HE1 HIS 3 -8.213 -17.038 18.105 18 HE2 HIS 3 HE2 HIS 3 -8.703 -18.339 15.937 19 H MET 4 H MET 4 -6.436 -12.216 12.702 20 HA MET 4 HA MET 4 -9.192 -11.600 13.053 21 HB2 MET 4 1HB MET 4 -6.756 -10.228 12.451 22 HB3 MET 4 2HB MET 4 -7.843 -9.810 11.144 23 HG2 MET 4 1HG MET 4 -9.234 -8.599 12.499 24 HG3 MET 4 2HG MET 4 -9.018 -9.672 13.885 25 HE1 MET 4 3HE MET 4 -8.038 -6.723 15.789 26 HE2 MET 4 1HE MET 4 -8.787 -6.106 14.300 27 HE3 MET 4 2HE MET 4 -9.404 -7.592 15.059 28 H GLY 5 H GLY 5 -7.367 -12.306 10.072 29 HA2 GLY 5 1HA GLY 5 -8.146 -13.461 8.178 30 HA3 GLY 5 2HA GLY 5 -9.817 -13.194 8.668 31 H SER 6 H SER 6 -10.869 -11.861 7.375 32 HA SER 6 HA SER 6 -9.488 -9.684 5.834 33 HB2 SER 6 1HB SER 6 -11.944 -11.354 5.163 34 HB3 SER 6 2HB SER 6 -11.464 -9.905 4.272 35 HG SER 6 HG SER 6 -10.049 -12.356 4.512 36 H VAL 7 H VAL 7 -10.928 -7.844 5.281 37 HA VAL 7 HA VAL 7 -12.194 -6.753 7.662 38 HB VAL 7 HB VAL 7 -12.239 -5.536 4.887 39 HG11 VAL 7 1HG1 VAL 7 -12.498 -4.414 7.714 40 HG12 VAL 7 2HG1 VAL 7 -12.248 -3.402 6.287 41 HG13 VAL 7 3HG1 VAL 7 -13.712 -4.364 6.416 42 HG21 VAL 7 3HG2 VAL 7 -9.918 -5.942 5.291 43 HG22 VAL 7 1HG2 VAL 7 -10.193 -4.266 5.754 44 HG23 VAL 7 2HG2 VAL 7 -10.061 -5.506 7.010 45 H GLY 8 H GLY 8 -13.429 -8.277 4.770 46 HA2 GLY 8 1HA GLY 8 -15.668 -9.380 5.091 47 HA3 GLY 8 2HA GLY 8 -16.281 -7.816 5.614 48 H LEU 9 H LEU 9 -14.372 -6.764 3.341 49 HA LEU 9 HA LEU 9 -16.229 -7.138 1.035 50 HB2 LEU 9 1HB LEU 9 -15.556 -4.892 0.295 51 HB3 LEU 9 2HB LEU 9 -16.433 -4.889 1.802 52 HG LEU 9 HG LEU 9 -13.443 -4.892 2.018 53 HD11 LEU 9 1HD1 LEU 9 -15.066 -2.539 1.032 54 HD12 LEU 9 2HD1 LEU 9 -13.648 -3.284 0.262 55 HD13 LEU 9 3HD1 LEU 9 -13.463 -2.378 1.779 56 HD21 LEU 9 3HD2 LEU 9 -15.165 -4.757 3.965 57 HD22 LEU 9 1HD2 LEU 9 -15.304 -3.060 3.478 58 HD23 LEU 9 2HD2 LEU 9 -13.725 -3.722 3.952 59 H ARG 10 H ARG 10 -14.834 -6.209 -0.972 60 HA ARG 10 HA ARG 10 -12.507 -8.116 -1.285 61 HB2 ARG 10 1HB ARG 10 -14.628 -7.359 -3.338 62 HB3 ARG 10 2HB ARG 10 -13.101 -8.132 -3.734 63 HG2 ARG 10 1HG ARG 10 -14.736 -9.818 -3.686 64 HG3 ARG 10 2HG ARG 10 -13.699 -10.074 -2.278 65 HD2 ARG 10 1HD ARG 10 -15.361 -9.321 -0.773 66 HD3 ARG 10 2HD ARG 10 -16.281 -8.499 -2.055 67 HE ARG 10 HE ARG 10 -16.253 -11.256 -2.678 68 HH11 ARG 10 1HH1 ARG 10 -17.616 -9.234 -0.172 69 HH12 ARG 10 2HH1 ARG 10 -19.003 -10.262 0.042 70 HH21 ARG 10 1HH2 ARG 10 -18.044 -12.533 -2.367 71 HH22 ARG 10 2HH2 ARG 10 -19.229 -12.087 -1.174 72 H GLU 11 H GLU 11 -13.748 -5.369 -3.113 73 HA GLU 11 HA GLU 11 -11.329 -3.742 -2.751 74 HB2 GLU 11 1HB GLU 11 -11.628 -5.543 -5.066 75 HB3 GLU 11 2HB GLU 11 -11.356 -3.874 -5.541 76 HG2 GLU 11 1HG GLU 11 -9.239 -3.798 -4.729 77 HG3 GLU 11 2HG GLU 11 -9.519 -4.899 -3.407 78 H ILE 12 H ILE 12 -14.344 -4.253 -4.595 79 HA ILE 12 HA ILE 12 -14.769 -1.618 -5.446 80 HB ILE 12 HB ILE 12 -16.041 -3.450 -6.318 81 HG12 ILE 12 1HG1 ILE 12 -18.278 -2.476 -6.369 82 HG13 ILE 12 2HG1 ILE 12 -17.946 -1.492 -4.949 83 HG21 ILE 12 1HG2 ILE 12 -16.392 -4.457 -3.797 84 HG22 ILE 12 2HG2 ILE 12 -17.956 -3.688 -4.041 85 HG23 ILE 12 3HG2 ILE 12 -17.378 -4.904 -5.196 86 HD11 ILE 12 3HD1 ILE 12 -16.146 -1.167 -7.354 87 HD12 ILE 12 1HD1 ILE 12 -17.780 -0.476 -7.389 88 HD13 ILE 12 2HD1 ILE 12 -16.642 0.027 -6.132 89 H ILE 13 H ILE 13 -14.933 0.158 -4.412 90 HA ILE 13 HA ILE 13 -16.527 0.464 -1.952 91 HB ILE 13 HB ILE 13 -14.722 1.755 -0.902 92 HG12 ILE 13 1HG1 ILE 13 -12.313 0.953 -1.691 93 HG13 ILE 13 2HG1 ILE 13 -13.051 0.848 -3.268 94 HG21 ILE 13 1HG2 ILE 13 -13.748 -1.053 -1.288 95 HG22 ILE 13 2HG2 ILE 13 -13.737 -0.020 0.161 96 HG23 ILE 13 3HG2 ILE 13 -15.257 -0.672 -0.427 97 HD11 ILE 13 3HD1 ILE 13 -12.973 3.346 -1.522 98 HD12 ILE 13 1HD1 ILE 13 -11.884 2.992 -2.849 99 HD13 ILE 13 2HD1 ILE 13 -13.608 3.258 -3.184 100 H SER 14 H SER 14 -16.384 2.880 -1.286 101 HA SER 14 HA SER 14 -16.797 4.650 -3.651 102 HB2 SER 14 1HB SER 14 -18.531 5.755 -2.406 103 HB3 SER 14 2HB SER 14 -18.868 4.015 -2.357 104 HG SER 14 HG SER 14 -19.072 4.873 -0.277 105 H GLU 15 H GLU 15 -16.671 7.040 -2.828 106 HA GLU 15 HA GLU 15 -14.064 7.744 -2.107 107 HB2 GLU 15 1HB GLU 15 -16.082 9.144 -3.038 108 HB3 GLU 15 2HB GLU 15 -16.466 9.412 -1.333 109 HG2 GLU 15 1HG GLU 15 -13.812 10.075 -1.326 110 HG3 GLU 15 2HG GLU 15 -14.180 10.396 -3.014 111 H GLU 16 H GLU 16 -16.647 6.836 0.103 112 HA GLU 16 HA GLU 16 -15.702 7.936 2.556 113 HB2 GLU 16 1HB GLU 16 -17.179 5.324 2.019 114 HB3 GLU 16 2HB GLU 16 -16.906 6.032 3.613 115 HG2 GLU 16 1HG GLU 16 -18.124 8.102 2.848 116 HG3 GLU 16 2HG GLU 16 -18.502 7.270 1.335 117 H ASP 17 H ASP 17 -15.059 4.660 1.234 118 HA ASP 17 HA ASP 17 -13.147 3.863 3.257 119 HB2 ASP 17 1HB ASP 17 -13.925 2.079 2.007 120 HB3 ASP 17 2HB ASP 17 -13.868 2.995 0.497 121 H VAL 18 H VAL 18 -12.799 5.489 0.075 122 HA VAL 18 HA VAL 18 -10.026 5.521 -0.016 123 HB VAL 18 HB VAL 18 -11.780 7.735 -1.102 124 HG11 VAL 18 1HG1 VAL 18 -8.866 7.322 -1.184 125 HG12 VAL 18 2HG1 VAL 18 -9.569 7.436 -2.777 126 HG13 VAL 18 3HG1 VAL 18 -9.856 8.727 -1.597 127 HG21 VAL 18 3HG2 VAL 18 -12.611 5.812 -2.109 128 HG22 VAL 18 1HG2 VAL 18 -11.371 6.284 -3.263 129 HG23 VAL 18 2HG2 VAL 18 -11.056 4.986 -2.102 130 H LYS 19 H LYS 19 -12.126 7.548 1.956 131 HA LYS 19 HA LYS 19 -9.963 9.334 2.830 132 HB2 LYS 19 1HB LYS 19 -12.563 8.908 4.340 133 HB3 LYS 19 2HB LYS 19 -11.540 10.334 4.260 134 HG2 LYS 19 1HG LYS 19 -12.288 10.010 1.578 135 HG3 LYS 19 2HG LYS 19 -13.687 9.367 2.458 136 HD2 LYS 19 1HD LYS 19 -14.136 11.642 2.029 137 HD3 LYS 19 2HD LYS 19 -13.744 11.531 3.753 138 HE2 LYS 19 1HE LYS 19 -12.163 13.134 3.391 139 HE3 LYS 19 2HE LYS 19 -11.238 11.877 2.565 140 HZ1 LYS 19 3HZ LYS 19 -13.068 13.843 1.305 141 HZ2 LYS 19 1HZ LYS 19 -12.488 12.567 0.489 142 HZ3 LYS 19 2HZ LYS 19 -11.458 13.705 1.067 143 H GLN 20 H GLN 20 -11.657 6.556 4.278 144 HA GLN 20 HA GLN 20 -10.176 6.537 6.745 145 HB2 GLN 20 1HB GLN 20 -12.295 5.469 6.647 146 HB3 GLN 20 2HB GLN 20 -11.790 4.357 5.371 147 HG2 GLN 20 1HG GLN 20 -10.379 3.116 6.800 148 HG3 GLN 20 2HG GLN 20 -10.257 4.413 7.991 149 HE21 GLN 20 2HE2 GLN 20 -10.981 1.545 8.438 150 HE22 GLN 20 1HE2 GLN 20 -12.536 1.674 9.254 151 H VAL 21 H VAL 21 -9.705 4.522 3.792 152 HA VAL 21 HA VAL 21 -7.403 3.125 4.680 153 HB VAL 21 HB VAL 21 -8.717 2.543 2.704 154 HG11 VAL 21 1HG1 VAL 21 -8.646 5.094 1.893 155 HG12 VAL 21 2HG1 VAL 21 -7.258 4.506 0.985 156 HG13 VAL 21 3HG1 VAL 21 -8.869 3.725 0.828 157 HG21 VAL 21 3HG2 VAL 21 -6.915 1.805 1.291 158 HG22 VAL 21 1HG2 VAL 21 -5.810 3.021 1.964 159 HG23 VAL 21 2HG2 VAL 21 -6.391 1.689 2.985 160 H TYR 22 H TYR 22 -7.615 6.356 3.137 161 HA TYR 22 HA TYR 22 -4.827 6.852 3.020 162 HB2 TYR 22 1HB TYR 22 -7.261 8.512 2.852 163 HB3 TYR 22 2HB TYR 22 -5.831 9.341 3.430 164 HD1 TYR 22 HD1 TYR 22 -6.905 7.010 0.699 165 HD2 TYR 22 HD2 TYR 22 -4.189 10.122 1.917 166 HE1 TYR 22 HE1 TYR 22 -6.127 7.226 -1.632 167 HE2 TYR 22 HE2 TYR 22 -3.324 10.260 -0.422 168 HH TYR 22 HH TYR 22 -4.586 8.101 -3.002 169 H SER 23 H SER 23 -7.057 7.092 5.751 170 HA SER 23 HA SER 23 -5.140 8.404 7.531 171 HB2 SER 23 1HB SER 23 -7.305 8.903 8.060 172 HB3 SER 23 2HB SER 23 -7.902 7.262 7.821 173 HG SER 23 HG SER 23 -7.667 8.031 10.066 174 H ILE 24 H ILE 24 -5.921 5.051 6.719 175 HA ILE 24 HA ILE 24 -4.635 3.803 8.971 176 HB ILE 24 HB ILE 24 -5.065 2.682 6.172 177 HG12 ILE 24 1HG1 ILE 24 -6.739 2.275 8.698 178 HG13 ILE 24 2HG1 ILE 24 -7.164 3.371 7.398 179 HG21 ILE 24 1HG2 ILE 24 -4.875 0.476 7.373 180 HG22 ILE 24 2HG2 ILE 24 -3.372 1.385 7.310 181 HG23 ILE 24 3HG2 ILE 24 -4.326 1.347 8.812 182 HD11 ILE 24 3HD1 ILE 24 -7.138 0.364 7.325 183 HD12 ILE 24 1HD1 ILE 24 -8.411 1.506 6.860 184 HD13 ILE 24 2HD1 ILE 24 -6.976 1.298 5.827 185 H LEU 25 H LEU 25 -3.378 4.399 5.628 186 HA LEU 25 HA LEU 25 -0.687 3.667 6.514 187 HB2 LEU 25 1HB LEU 25 -0.212 4.501 4.087 188 HB3 LEU 25 2HB LEU 25 -0.799 2.897 4.389 189 HG LEU 25 HG LEU 25 -3.044 3.547 3.693 190 HD11 LEU 25 1HD1 LEU 25 -1.763 6.276 3.583 191 HD12 LEU 25 2HD1 LEU 25 -3.315 5.774 4.170 192 HD13 LEU 25 3HD1 LEU 25 -3.030 5.877 2.418 193 HD21 LEU 25 3HD2 LEU 25 -0.882 4.368 1.715 194 HD22 LEU 25 1HD2 LEU 25 -2.548 3.873 1.328 195 HD23 LEU 25 2HD2 LEU 25 -1.422 2.712 2.044 196 H LYS 26 H LYS 26 -2.408 6.557 6.684 197 HA LYS 26 HA LYS 26 -0.462 8.524 6.157 198 HB2 LYS 26 1HB LYS 26 -3.049 8.480 7.256 199 HB3 LYS 26 2HB LYS 26 -2.092 9.056 8.582 200 HG2 LYS 26 1HG LYS 26 -2.836 10.971 7.388 201 HG3 LYS 26 2HG LYS 26 -1.111 10.803 7.036 202 HD2 LYS 26 1HD LYS 26 -1.969 9.497 4.884 203 HD3 LYS 26 2HD LYS 26 -3.508 10.276 5.239 204 HE2 LYS 26 1HE LYS 26 -0.843 11.677 4.755 205 HE3 LYS 26 2HE LYS 26 -2.151 11.504 3.579 206 HZ1 LYS 26 3HZ LYS 26 -3.582 12.779 5.145 207 HZ2 LYS 26 1HZ LYS 26 -2.312 13.656 4.614 208 HZ3 LYS 26 2HZ LYS 26 -2.294 13.036 6.121 209 H GLU 27 H GLU 27 -0.524 6.340 8.817 210 HA GLU 27 HA GLU 27 1.255 7.817 10.558 211 HB2 GLU 27 1HB GLU 27 -0.354 5.991 11.228 212 HB3 GLU 27 2HB GLU 27 0.739 4.812 10.506 213 HG2 GLU 27 1HG GLU 27 2.340 5.062 12.162 214 HG3 GLU 27 2HG GLU 27 1.975 6.759 12.435 215 H LYS 28 H LYS 28 3.415 7.577 10.923 216 HA LYS 28 HA LYS 28 5.064 6.256 8.807 217 HB2 LYS 28 1HB LYS 28 5.541 8.702 10.522 218 HB3 LYS 28 2HB LYS 28 6.783 7.958 9.533 219 HG2 LYS 28 1HG LYS 28 4.111 8.961 8.420 220 HG3 LYS 28 2HG LYS 28 5.559 9.943 8.497 221 HD2 LYS 28 1HD LYS 28 5.153 7.404 6.855 222 HD3 LYS 28 2HD LYS 28 5.321 9.045 6.266 223 HE2 LYS 28 1HE LYS 28 7.488 7.347 7.568 224 HE3 LYS 28 2HE LYS 28 7.389 7.861 5.888 225 HZ1 LYS 28 3HZ LYS 28 7.435 10.230 6.974 226 HZ2 LYS 28 1HZ LYS 28 8.844 9.394 6.812 227 HZ3 LYS 28 2HZ LYS 28 8.093 9.473 8.253 228 H ASP 29 H ASP 29 4.233 5.791 11.976 229 HA ASP 29 HA ASP 29 6.832 4.667 12.834 230 HB2 ASP 29 1HB ASP 29 5.178 6.159 14.224 231 HB3 ASP 29 2HB ASP 29 4.288 4.659 14.467 232 H ILE 30 H ILE 30 4.743 3.500 10.808 233 HA ILE 30 HA ILE 30 4.010 0.904 11.885 234 HB ILE 30 HB ILE 30 3.152 0.421 9.685 235 HG12 ILE 30 1HG1 ILE 30 3.253 2.463 7.994 236 HG13 ILE 30 2HG1 ILE 30 4.730 2.838 8.863 237 HG21 ILE 30 1HG2 ILE 30 1.681 2.650 9.488 238 HG22 ILE 30 2HG2 ILE 30 1.499 1.487 10.802 239 HG23 ILE 30 3HG2 ILE 30 2.402 2.978 11.061 240 HD11 ILE 30 3HD1 ILE 30 5.751 0.757 8.116 241 HD12 ILE 30 1HD1 ILE 30 4.164 0.078 7.698 242 HD13 ILE 30 2HD1 ILE 30 4.870 1.346 6.732 243 H SER 31 H SER 31 6.960 2.078 10.833 244 HA SER 31 HA SER 31 8.185 0.325 9.114 245 HB2 SER 31 1HB SER 31 10.290 0.836 10.568 246 HB3 SER 31 2HB SER 31 9.494 2.117 9.649 247 HG SER 31 HG SER 31 10.002 2.670 11.871 248 H VAL 32 H VAL 32 7.966 -1.785 9.109 249 HA VAL 32 HA VAL 32 7.819 -3.405 11.477 250 HB VAL 32 HB VAL 32 6.667 -3.910 9.385 251 HG11 VAL 32 1HG1 VAL 32 9.218 -3.670 8.135 252 HG12 VAL 32 2HG1 VAL 32 8.628 -5.315 7.869 253 HG13 VAL 32 3HG1 VAL 32 7.626 -3.929 7.409 254 HG21 VAL 32 3HG2 VAL 32 7.202 -5.651 11.115 255 HG22 VAL 32 1HG2 VAL 32 6.768 -6.125 9.472 256 HG23 VAL 32 2HG2 VAL 32 8.475 -6.229 9.997 257 H ASP 33 H ASP 33 9.259 -5.018 12.212 258 HA ASP 33 HA ASP 33 12.047 -4.307 12.364 259 HB2 ASP 33 1HB ASP 33 10.413 -6.738 13.134 260 HB3 ASP 33 2HB ASP 33 12.162 -6.728 13.318 261 H SER 34 H SER 34 13.888 -5.235 11.389 262 HA SER 34 HA SER 34 13.661 -6.190 8.702 263 HB2 SER 34 1HB SER 34 16.183 -6.584 9.051 264 HB3 SER 34 2HB SER 34 15.568 -4.933 9.222 265 HG SER 34 HG SER 34 16.777 -6.520 11.095 266 H THR 35 H THR 35 14.484 -7.924 11.727 267 HA THR 35 HA THR 35 14.880 -10.503 10.521 268 HB THR 35 HB THR 35 13.951 -9.823 13.339 269 HG1 THR 35 HG1 THR 35 16.140 -9.925 13.795 270 HG21 THR 35 3HG2 THR 35 13.614 -12.218 12.907 271 HG22 THR 35 1HG2 THR 35 15.028 -12.000 13.941 272 HG23 THR 35 2HG2 THR 35 15.246 -12.351 12.211 273 H THR 36 H THR 36 11.959 -8.978 11.899 274 HA THR 36 HA THR 36 10.227 -11.236 11.268 275 HB THR 36 HB THR 36 9.551 -8.391 12.071 276 HG1 THR 36 HG1 THR 36 9.237 -9.457 14.092 277 HG21 THR 36 3HG2 THR 36 7.424 -9.699 12.946 278 HG22 THR 36 1HG2 THR 36 7.823 -10.825 11.630 279 HG23 THR 36 2HG2 THR 36 7.522 -9.103 11.290 280 H TRP 37 H TRP 37 11.208 -8.328 9.474 281 HA TRP 37 HA TRP 37 9.197 -8.066 7.676 282 HB2 TRP 37 1HB TRP 37 11.039 -6.551 7.594 283 HB3 TRP 37 2HB TRP 37 12.179 -7.838 7.233 284 HD1 TRP 37 HD1 TRP 37 13.090 -7.137 4.950 285 HE1 TRP 37 HE1 TRP 37 12.085 -6.797 2.606 286 HE3 TRP 37 HE3 TRP 37 8.106 -7.231 6.171 287 HZ2 TRP 37 HZ2 TRP 37 9.436 -6.895 1.387 288 HZ3 TRP 37 HZ3 TRP 37 6.425 -7.255 4.436 289 HH2 TRP 37 HH2 TRP 37 7.034 -7.100 2.021 290 H ASN 38 H ASN 38 11.901 -10.343 7.229 291 HA ASN 38 HA ASN 38 11.087 -11.479 4.802 292 HB2 ASN 38 1HB ASN 38 13.268 -11.810 6.069 293 HB3 ASN 38 2HB ASN 38 12.411 -12.946 7.120 294 HD21 ASN 38 2HD2 ASN 38 12.959 -12.283 3.593 295 HD22 ASN 38 1HD2 ASN 38 13.080 -13.987 3.180 296 H ARG 39 H ARG 39 9.772 -12.101 7.983 297 HA ARG 39 HA ARG 39 8.097 -14.403 7.171 298 HB2 ARG 39 1HB ARG 39 8.256 -12.785 9.757 299 HB3 ARG 39 2HB ARG 39 6.985 -13.946 9.435 300 HG2 ARG 39 1HG ARG 39 8.579 -15.100 10.679 301 HG3 ARG 39 2HG ARG 39 8.728 -15.710 9.031 302 HD2 ARG 39 1HD ARG 39 10.709 -14.350 8.643 303 HD3 ARG 39 2HD ARG 39 10.555 -13.565 10.221 304 HE ARG 39 HE ARG 39 11.762 -16.121 9.632 305 HH11 ARG 39 1HH1 ARG 39 10.040 -14.528 12.232 306 HH12 ARG 39 2HH1 ARG 39 10.620 -15.653 13.427 307 HH21 ARG 39 1HH2 ARG 39 12.476 -17.502 11.192 308 HH22 ARG 39 2HH2 ARG 39 11.982 -17.281 12.845 309 H ARG 40 H ARG 40 7.607 -10.969 7.940 310 HA ARG 40 HA ARG 40 4.784 -10.807 7.572 311 HB2 ARG 40 1HB ARG 40 6.707 -8.649 6.819 312 HB3 ARG 40 2HB ARG 40 5.010 -8.474 7.215 313 HG2 ARG 40 1HG ARG 40 6.701 -9.704 9.347 314 HG3 ARG 40 2HG ARG 40 7.079 -8.061 8.855 315 HD2 ARG 40 1HD ARG 40 5.606 -7.615 10.520 316 HD3 ARG 40 2HD ARG 40 4.466 -7.713 9.168 317 HE ARG 40 HE ARG 40 4.449 -10.286 10.115 318 HH11 ARG 40 1HH1 ARG 40 3.792 -7.227 11.641 319 HH12 ARG 40 2HH1 ARG 40 2.867 -7.958 12.921 320 HH21 ARG 40 1HH2 ARG 40 3.253 -11.138 11.657 321 HH22 ARG 40 2HH2 ARG 40 2.642 -10.186 12.993 322 H TYR 41 H TYR 41 7.393 -10.778 5.228 323 HA TYR 41 HA TYR 41 6.128 -9.958 2.897 324 HB2 TYR 41 1HB TYR 41 8.565 -10.817 3.397 325 HB3 TYR 41 2HB TYR 41 7.945 -12.381 2.891 326 HD1 TYR 41 HD2 TYR 41 6.592 -12.315 0.539 327 HD2 TYR 41 HD1 TYR 41 9.539 -9.446 1.816 328 HE1 TYR 41 HE2 TYR 41 6.869 -11.545 -1.797 329 HE2 TYR 41 HE1 TYR 41 9.827 -8.697 -0.556 330 HH TYR 41 HH TYR 41 8.251 -10.430 -3.237 331 H ARG 42 H ARG 42 5.845 -13.066 4.552 332 HA ARG 42 HA ARG 42 4.327 -14.495 2.539 333 HB2 ARG 42 1HB ARG 42 4.434 -15.018 5.542 334 HB3 ARG 42 2HB ARG 42 3.918 -16.145 4.302 335 HG2 ARG 42 1HG ARG 42 6.745 -14.989 4.488 336 HG3 ARG 42 2HG ARG 42 6.250 -16.506 5.209 337 HD2 ARG 42 1HD ARG 42 5.884 -15.969 2.230 338 HD3 ARG 42 2HD ARG 42 7.402 -16.561 2.878 339 HE ARG 42 HE ARG 42 4.914 -18.070 2.578 340 HH11 ARG 42 1HH1 ARG 42 7.945 -18.014 4.307 341 HH12 ARG 42 2HH1 ARG 42 7.872 -19.708 4.708 342 HH21 ARG 42 1HH2 ARG 42 4.859 -20.232 3.116 343 HH22 ARG 42 2HH2 ARG 42 6.162 -20.925 4.036 344 H GLU 43 H GLU 43 3.178 -13.188 5.671 345 HA GLU 43 HA GLU 43 0.401 -13.476 5.157 346 HB2 GLU 43 1HB GLU 43 0.063 -11.585 6.788 347 HB3 GLU 43 2HB GLU 43 1.006 -12.970 7.365 348 HG2 GLU 43 1HG GLU 43 3.076 -11.684 6.896 349 HG3 GLU 43 2HG GLU 43 2.093 -10.259 6.515 350 H TYR 44 H TYR 44 2.433 -10.581 4.476 351 HA TYR 44 HA TYR 44 0.384 -9.105 3.180 352 HB2 TYR 44 1HB TYR 44 3.385 -9.045 2.890 353 HB3 TYR 44 2HB TYR 44 2.311 -7.831 2.254 354 HD1 TYR 44 HD1 TYR 44 0.514 -8.162 5.091 355 HD2 TYR 44 HD2 TYR 44 4.512 -7.187 3.910 356 HE1 TYR 44 HE1 TYR 44 0.848 -6.957 7.242 357 HE2 TYR 44 HE2 TYR 44 4.938 -6.122 6.222 358 HH TYR 44 HH TYR 44 3.879 -5.293 8.079 359 H MET 45 H MET 45 2.684 -11.476 1.722 360 HA MET 45 HA MET 45 1.977 -11.108 -0.992 361 HB2 MET 45 1HB MET 45 3.151 -13.345 0.627 362 HB3 MET 45 2HB MET 45 2.358 -13.822 -0.857 363 HG2 MET 45 1HG MET 45 3.702 -12.200 -2.122 364 HG3 MET 45 2HG MET 45 4.596 -11.804 -0.654 365 HE1 MET 45 3HE MET 45 5.545 -12.558 -3.374 366 HE2 MET 45 1HE MET 45 6.858 -13.736 -3.155 367 HE3 MET 45 2HE MET 45 5.305 -14.250 -3.852 368 H GLU 46 H GLU 46 0.195 -12.747 1.565 369 HA GLU 46 HA GLU 46 -1.784 -13.952 -0.240 370 HB2 GLU 46 1HB GLU 46 -1.988 -13.547 2.760 371 HB3 GLU 46 2HB GLU 46 -2.959 -14.608 1.724 372 HG2 GLU 46 1HG GLU 46 -1.030 -15.985 1.206 373 HG3 GLU 46 2HG GLU 46 0.047 -14.885 2.034 374 H LYS 47 H LYS 47 -1.612 -11.074 1.877 375 HA LYS 47 HA LYS 47 -4.246 -10.147 1.442 376 HB2 LYS 47 1HB LYS 47 -1.674 -8.807 2.230 377 HB3 LYS 47 2HB LYS 47 -2.997 -7.788 1.696 378 HG2 LYS 47 1HG LYS 47 -3.068 -7.838 4.002 379 HG3 LYS 47 2HG LYS 47 -4.484 -8.730 3.414 380 HD2 LYS 47 1HD LYS 47 -3.626 -10.797 4.210 381 HD3 LYS 47 2HD LYS 47 -1.969 -10.181 4.180 382 HE2 LYS 47 1HE LYS 47 -2.052 -9.809 6.332 383 HE3 LYS 47 2HE LYS 47 -3.103 -8.446 5.967 384 HZ1 LYS 47 3HZ LYS 47 -5.018 -9.769 6.347 385 HZ2 LYS 47 1HZ LYS 47 -4.044 -10.028 7.645 386 HZ3 LYS 47 2HZ LYS 47 -4.151 -11.176 6.493 387 H ILE 48 H ILE 48 -1.723 -10.244 -0.866 388 HA ILE 48 HA ILE 48 -2.619 -8.128 -2.614 389 HB ILE 48 HB ILE 48 -1.098 -10.573 -3.518 390 HG12 ILE 48 1HG1 ILE 48 0.117 -9.983 -1.589 391 HG13 ILE 48 2HG1 ILE 48 0.997 -9.305 -2.942 392 HG21 ILE 48 1HG2 ILE 48 -1.006 -7.650 -4.367 393 HG22 ILE 48 2HG2 ILE 48 0.011 -8.967 -4.975 394 HG23 ILE 48 3HG2 ILE 48 -1.723 -8.988 -5.289 395 HD11 ILE 48 3HD1 ILE 48 -0.123 -7.047 -2.444 396 HD12 ILE 48 1HD1 ILE 48 -0.747 -7.766 -0.952 397 HD13 ILE 48 2HD1 ILE 48 1.007 -7.670 -1.242 398 H LYS 49 H LYS 49 -3.653 -11.405 -2.169 399 HA LYS 49 HA LYS 49 -5.576 -11.189 -4.477 400 HB2 LYS 49 1HB LYS 49 -5.267 -13.445 -4.996 401 HB3 LYS 49 2HB LYS 49 -3.646 -12.835 -4.680 402 HG2 LYS 49 1HG LYS 49 -4.219 -13.741 -2.193 403 HG3 LYS 49 2HG LYS 49 -5.353 -14.746 -3.088 404 HD2 LYS 49 1HD LYS 49 -3.439 -16.087 -2.955 405 HD3 LYS 49 2HD LYS 49 -3.245 -15.342 -4.551 406 HE2 LYS 49 1HE LYS 49 -2.116 -13.457 -2.803 407 HE3 LYS 49 2HE LYS 49 -1.709 -14.966 -2.001 408 HZ1 LYS 49 3HZ LYS 49 -0.418 -15.623 -3.845 409 HZ2 LYS 49 1HZ LYS 49 -0.106 -14.022 -3.745 410 HZ3 LYS 49 2HZ LYS 49 -1.135 -14.583 -4.885 411 H THR 50 H THR 50 -5.207 -11.982 -1.104 412 HA THR 50 HA THR 50 -8.126 -12.668 -0.873 413 HB THR 50 HB THR 50 -7.712 -13.764 1.136 414 HG1 THR 50 HG1 THR 50 -6.372 -12.758 2.396 415 HG21 THR 50 3HG2 THR 50 -6.710 -14.922 -0.936 416 HG22 THR 50 1HG2 THR 50 -6.163 -15.479 0.663 417 HG23 THR 50 2HG2 THR 50 -5.126 -14.407 -0.286 418 H GLY 51 H GLY 51 -5.708 -10.366 0.058 419 HA2 GLY 51 1HA GLY 51 -7.117 -9.150 2.241 420 HA3 GLY 51 2HA GLY 51 -5.741 -8.453 1.392 421 H SER 52 H SER 52 -7.990 -7.147 2.333 422 HA SER 52 HA SER 52 -9.577 -6.374 -0.026 423 HB2 SER 52 1HB SER 52 -10.118 -6.629 2.714 424 HB3 SER 52 2HB SER 52 -10.054 -4.873 2.460 425 HG SER 52 HG SER 52 -11.638 -6.828 1.152 426 H VAL 53 H VAL 53 -10.123 -3.922 -0.032 427 HA VAL 53 HA VAL 53 -7.993 -2.368 -0.960 428 HB VAL 53 HB VAL 53 -10.236 -1.749 -1.413 429 HG11 VAL 53 1HG1 VAL 53 -10.673 -1.195 1.514 430 HG12 VAL 53 2HG1 VAL 53 -11.780 -0.892 0.180 431 HG13 VAL 53 3HG1 VAL 53 -11.359 -2.550 0.585 432 HG21 VAL 53 3HG2 VAL 53 -8.468 0.076 -1.152 433 HG22 VAL 53 1HG2 VAL 53 -10.158 0.584 -1.126 434 HG23 VAL 53 2HG2 VAL 53 -9.250 0.482 0.389 435 H PHE 54 H PHE 54 -9.300 -2.288 2.333 436 HA PHE 54 HA PHE 54 -7.463 -0.420 3.447 437 HB2 PHE 54 1HB PHE 54 -9.067 -2.698 4.664 438 HB3 PHE 54 2HB PHE 54 -8.225 -1.479 5.616 439 HD1 PHE 54 HD1 PHE 54 -8.834 1.089 4.555 440 HD2 PHE 54 HD2 PHE 54 -11.389 -2.376 4.551 441 HE1 PHE 54 HE1 PHE 54 -10.830 2.543 4.416 442 HE2 PHE 54 HE2 PHE 54 -13.387 -0.880 4.513 443 HZ PHE 54 HZ PHE 54 -13.092 1.574 4.516 444 H GLU 55 H GLU 55 -7.109 -3.833 2.757 445 HA GLU 55 HA GLU 55 -4.716 -4.155 4.450 446 HB2 GLU 55 1HB GLU 55 -5.942 -6.160 2.529 447 HB3 GLU 55 2HB GLU 55 -4.693 -6.412 3.743 448 HG2 GLU 55 1HG GLU 55 -6.392 -5.615 5.499 449 HG3 GLU 55 2HG GLU 55 -7.609 -5.743 4.224 450 H ILE 56 H ILE 56 -5.428 -4.243 0.891 451 HA ILE 56 HA ILE 56 -2.853 -4.471 -0.131 452 HB ILE 56 HB ILE 56 -5.230 -2.870 -1.087 453 HG12 ILE 56 1HG1 ILE 56 -5.449 -5.349 -0.951 454 HG13 ILE 56 2HG1 ILE 56 -5.630 -4.708 -2.576 455 HG21 ILE 56 1HG2 ILE 56 -2.621 -3.356 -2.586 456 HG22 ILE 56 2HG2 ILE 56 -4.158 -2.802 -3.304 457 HG23 ILE 56 3HG2 ILE 56 -3.334 -1.794 -2.150 458 HD11 ILE 56 3HD1 ILE 56 -3.191 -6.134 -1.457 459 HD12 ILE 56 1HD1 ILE 56 -4.389 -6.762 -2.608 460 HD13 ILE 56 2HD1 ILE 56 -3.303 -5.449 -3.091 461 H ALA 57 H ALA 57 -4.499 -1.383 0.661 462 HA ALA 57 HA ALA 57 -2.247 0.306 0.198 463 HB1 ALA 57 3HB ALA 57 -4.775 0.431 1.851 464 HB2 ALA 57 1HB ALA 57 -3.583 1.726 2.003 465 HB3 ALA 57 2HB ALA 57 -4.326 1.389 0.429 466 H GLU 58 H GLU 58 -3.120 -1.555 3.160 467 HA GLU 58 HA GLU 58 -0.912 -0.476 4.726 468 HB2 GLU 58 1HB GLU 58 -2.899 -2.724 5.046 469 HB3 GLU 58 2HB GLU 58 -1.386 -2.838 5.930 470 HG2 GLU 58 1HG GLU 58 -1.939 -0.316 6.577 471 HG3 GLU 58 2HG GLU 58 -3.571 -0.799 6.135 472 H VAL 59 H VAL 59 -1.217 -3.176 2.490 473 HA VAL 59 HA VAL 59 1.207 -4.522 3.219 474 HB VAL 59 HB VAL 59 -0.261 -4.502 0.554 475 HG11 VAL 59 1HG1 VAL 59 2.237 -5.813 1.479 476 HG12 VAL 59 2HG1 VAL 59 1.078 -6.863 0.678 477 HG13 VAL 59 3HG1 VAL 59 1.685 -5.421 -0.160 478 HG21 VAL 59 3HG2 VAL 59 -1.209 -5.540 2.932 479 HG22 VAL 59 1HG2 VAL 59 -1.599 -6.119 1.304 480 HG23 VAL 59 2HG2 VAL 59 -0.344 -6.912 2.289 481 H LEU 60 H LEU 60 0.622 -2.484 0.309 482 HA LEU 60 HA LEU 60 3.366 -2.286 -0.365 483 HB2 LEU 60 1HB LEU 60 2.599 -1.288 -2.150 484 HB3 LEU 60 2HB LEU 60 0.990 -1.515 -1.551 485 HG LEU 60 HG LEU 60 2.625 1.018 -1.047 486 HD11 LEU 60 1HD1 LEU 60 2.277 0.544 -3.417 487 HD12 LEU 60 2HD1 LEU 60 1.494 2.002 -2.863 488 HD13 LEU 60 3HD1 LEU 60 0.522 0.526 -3.151 489 HD21 LEU 60 3HD2 LEU 60 -0.190 0.141 -0.453 490 HD22 LEU 60 1HD2 LEU 60 0.120 1.842 -0.874 491 HD23 LEU 60 2HD2 LEU 60 0.895 1.165 0.503 492 H ARG 61 H ARG 61 1.526 -0.417 1.932 493 HA ARG 61 HA ARG 61 3.266 1.792 2.419 494 HB2 ARG 61 1HB ARG 61 1.017 1.765 3.319 495 HB3 ARG 61 2HB ARG 61 1.307 0.250 4.153 496 HG2 ARG 61 1HG ARG 61 3.096 1.571 5.533 497 HG3 ARG 61 2HG ARG 61 2.301 2.995 4.913 498 HD2 ARG 61 1HD ARG 61 1.188 2.675 6.883 499 HD3 ARG 61 2HD ARG 61 0.126 1.744 5.797 500 HE ARG 61 HE ARG 61 2.062 -0.059 6.840 501 HH11 ARG 61 1HH1 ARG 61 -0.727 1.763 8.017 502 HH12 ARG 61 2HH1 ARG 61 -1.013 0.587 9.259 503 HH21 ARG 61 1HH2 ARG 61 1.655 -1.405 8.336 504 HH22 ARG 61 2HH2 ARG 61 0.253 -1.242 9.391 505 H ASP 62 H ASP 62 3.074 -1.326 4.154 506 HA ASP 62 HA ASP 62 5.335 -0.863 5.825 507 HB2 ASP 62 1HB ASP 62 3.797 -3.292 4.948 508 HB3 ASP 62 2HB ASP 62 5.400 -3.521 5.642 509 H LEU 63 H LEU 63 5.192 -2.452 2.617 510 HA LEU 63 HA LEU 63 7.990 -2.866 2.282 511 HB2 LEU 63 1HB LEU 63 5.723 -2.480 0.306 512 HB3 LEU 63 2HB LEU 63 7.401 -2.665 -0.185 513 HG LEU 63 HG LEU 63 7.373 -4.781 1.387 514 HD11 LEU 63 1HD1 LEU 63 4.425 -4.512 0.656 515 HD12 LEU 63 2HD1 LEU 63 5.102 -4.556 2.305 516 HD13 LEU 63 3HD1 LEU 63 5.175 -5.984 1.277 517 HD21 LEU 63 3HD2 LEU 63 5.806 -5.228 -1.133 518 HD22 LEU 63 1HD2 LEU 63 7.200 -6.107 -0.457 519 HD23 LEU 63 2HD2 LEU 63 7.432 -4.541 -1.230 520 H TYR 64 H TYR 64 6.124 0.115 1.587 521 HA TYR 64 HA TYR 64 8.391 1.487 0.464 522 HB2 TYR 64 1HB TYR 64 5.630 2.194 1.309 523 HB3 TYR 64 2HB TYR 64 6.792 3.503 1.392 524 HD1 TYR 64 HD1 TYR 64 8.433 3.743 -0.681 525 HD2 TYR 64 HD2 TYR 64 4.597 1.810 -0.756 526 HE1 TYR 64 HE1 TYR 64 8.219 4.222 -3.133 527 HE2 TYR 64 HE2 TYR 64 4.404 2.288 -3.194 528 HH TYR 64 HH TYR 64 6.724 4.414 -4.841 529 H LEU 65 H LEU 65 6.959 1.663 3.745 530 HA LEU 65 HA LEU 65 9.010 3.479 4.724 531 HB2 LEU 65 1HB LEU 65 6.917 1.758 6.066 532 HB3 LEU 65 2HB LEU 65 8.152 2.602 6.982 533 HG LEU 65 HG LEU 65 7.346 4.737 5.582 534 HD11 LEU 65 1HD1 LEU 65 4.963 2.923 5.377 535 HD12 LEU 65 2HD1 LEU 65 5.736 3.898 4.138 536 HD13 LEU 65 3HD1 LEU 65 4.819 4.674 5.448 537 HD21 LEU 65 3HD2 LEU 65 6.722 3.635 8.192 538 HD22 LEU 65 1HD2 LEU 65 5.355 4.562 7.566 539 HD23 LEU 65 2HD2 LEU 65 6.968 5.294 7.677 540 H LEU 66 H LEU 66 8.896 -0.005 4.439 541 HA LEU 66 HA LEU 66 10.922 -0.829 6.190 542 HB2 LEU 66 1HB LEU 66 9.682 -1.767 3.652 543 HB3 LEU 66 2HB LEU 66 11.297 -2.380 3.881 544 HG LEU 66 HG LEU 66 9.290 -2.492 6.150 545 HD11 LEU 66 1HD1 LEU 66 9.603 -4.490 3.891 546 HD12 LEU 66 2HD1 LEU 66 8.155 -3.556 4.284 547 HD13 LEU 66 3HD1 LEU 66 8.707 -4.744 5.419 548 HD21 LEU 66 3HD2 LEU 66 11.766 -4.094 5.330 549 HD22 LEU 66 1HD2 LEU 66 10.716 -4.529 6.676 550 HD23 LEU 66 2HD2 LEU 66 11.609 -3.005 6.731 551 H LYS 67 H LYS 67 11.247 0.829 3.145 552 HA LYS 67 HA LYS 67 14.226 0.776 3.310 553 HB2 LYS 67 1HB LYS 67 12.621 0.308 1.196 554 HB3 LYS 67 2HB LYS 67 12.705 2.066 1.071 555 HG2 LYS 67 1HG LYS 67 14.411 1.218 -0.300 556 HG3 LYS 67 2HG LYS 67 15.254 1.825 1.106 557 HD2 LYS 67 1HD LYS 67 14.470 -1.058 1.327 558 HD3 LYS 67 2HD LYS 67 15.490 -0.695 -0.066 559 HE2 LYS 67 1HE LYS 67 17.003 0.586 1.600 560 HE3 LYS 67 2HE LYS 67 16.111 -0.256 2.877 561 HZ1 LYS 67 3HZ LYS 67 16.821 -2.350 1.948 562 HZ2 LYS 67 1HZ LYS 67 18.165 -1.426 2.097 563 HZ3 LYS 67 2HZ LYS 67 17.471 -1.640 0.629 564 H GLY 68 H GLY 68 11.530 2.941 3.697 565 HA2 GLY 68 1HA GLY 68 11.434 5.065 4.648 566 HA3 GLY 68 2HA GLY 68 13.184 5.041 4.857 567 H ASP 69 H ASP 69 12.062 4.440 1.623 568 HA ASP 69 HA ASP 69 11.981 7.152 0.653 569 HB2 ASP 69 1HB ASP 69 14.572 5.674 0.676 570 HB3 ASP 69 2HB ASP 69 14.110 6.215 -0.923 571 H LYS 70 H LYS 70 11.789 7.190 -1.787 572 HA LYS 70 HA LYS 70 9.966 5.208 -2.724 573 HB2 LYS 70 1HB LYS 70 10.072 6.436 -4.846 574 HB3 LYS 70 2HB LYS 70 9.934 7.520 -3.477 575 HG2 LYS 70 1HG LYS 70 12.702 7.370 -3.770 576 HG3 LYS 70 2HG LYS 70 12.165 7.132 -5.420 577 HD2 LYS 70 1HD LYS 70 12.190 9.388 -5.520 578 HD3 LYS 70 2HD LYS 70 10.641 9.323 -4.645 579 HE2 LYS 70 1HE LYS 70 11.760 9.576 -2.519 580 HE3 LYS 70 2HE LYS 70 13.357 9.458 -3.263 581 HZ1 LYS 70 3HZ LYS 70 12.352 11.767 -2.745 582 HZ2 LYS 70 1HZ LYS 70 11.492 11.589 -4.098 583 HZ3 LYS 70 2HZ LYS 70 13.131 11.584 -4.183 584 H ASP 71 H ASP 71 13.427 5.376 -3.036 585 HA ASP 71 HA ASP 71 13.727 3.499 -5.194 586 HB2 ASP 71 1HB ASP 71 15.792 4.411 -3.149 587 HB3 ASP 71 2HB ASP 71 16.063 3.763 -4.762 588 H LEU 72 H LEU 72 12.249 1.839 -4.143 589 HA LEU 72 HA LEU 72 13.215 0.371 -1.830 590 HB2 LEU 72 1HB LEU 72 11.174 -0.543 -3.876 591 HB3 LEU 72 2HB LEU 72 11.435 -1.204 -2.261 592 HG LEU 72 HG LEU 72 10.347 1.539 -2.981 593 HD11 LEU 72 1HD1 LEU 72 8.911 -0.245 -1.083 594 HD12 LEU 72 2HD1 LEU 72 9.005 -0.828 -2.726 595 HD13 LEU 72 3HD1 LEU 72 8.336 0.799 -2.392 596 HD21 LEU 72 3HD2 LEU 72 11.800 1.781 -0.994 597 HD22 LEU 72 1HD2 LEU 72 10.902 0.461 -0.194 598 HD23 LEU 72 2HD2 LEU 72 10.114 2.001 -0.602 599 H SER 73 H SER 73 14.000 -1.717 -1.648 600 HA SER 73 HA SER 73 16.077 -2.482 -3.517 601 HB2 SER 73 1HB SER 73 14.714 -3.993 -1.242 602 HB3 SER 73 2HB SER 73 16.100 -4.607 -2.161 603 HG SER 73 HG SER 73 16.898 -3.657 -0.363 604 H PHE 74 H PHE 74 16.116 -4.356 -4.900 605 HA PHE 74 HA PHE 74 13.888 -4.898 -6.504 606 HB2 PHE 74 1HB PHE 74 16.162 -5.452 -7.153 607 HB3 PHE 74 2HB PHE 74 16.290 -6.647 -5.867 608 HD1 PHE 74 HD1 PHE 74 14.542 -5.852 -9.081 609 HD2 PHE 74 HD2 PHE 74 15.469 -8.894 -6.163 610 HE1 PHE 74 HE1 PHE 74 13.661 -7.597 -10.614 611 HE2 PHE 74 HE2 PHE 74 14.591 -10.632 -7.699 612 HZ PHE 74 HZ PHE 74 13.689 -9.988 -9.928 613 H GLY 75 H GLY 75 14.906 -6.673 -3.586 614 HA2 GLY 75 1HA GLY 75 13.032 -8.774 -3.619 615 HA3 GLY 75 2HA GLY 75 13.746 -8.086 -2.152 616 H GLU 76 H GLU 76 12.622 -5.571 -1.980 617 HA GLU 76 HA GLU 76 9.832 -6.103 -1.258 618 HB2 GLU 76 1HB GLU 76 11.590 -3.636 -1.321 619 HB3 GLU 76 2HB GLU 76 9.869 -3.521 -0.948 620 HG2 GLU 76 1HG GLU 76 10.078 -4.417 1.121 621 HG3 GLU 76 2HG GLU 76 11.198 -5.662 0.586 622 H ARG 77 H ARG 77 11.401 -4.305 -3.922 623 HA ARG 77 HA ARG 77 9.153 -3.223 -5.169 624 HB2 ARG 77 1HB ARG 77 11.635 -2.909 -5.735 625 HB3 ARG 77 2HB ARG 77 11.507 -4.402 -6.661 626 HG2 ARG 77 1HG ARG 77 11.248 -2.709 -8.241 627 HG3 ARG 77 2HG ARG 77 9.591 -3.225 -7.976 628 HD2 ARG 77 1HD ARG 77 8.964 -1.200 -7.123 629 HD3 ARG 77 2HD ARG 77 10.439 -1.042 -6.155 630 HE ARG 77 HE ARG 77 10.965 -0.701 -8.984 631 HH11 ARG 77 1HH1 ARG 77 9.791 1.117 -6.242 632 HH12 ARG 77 2HH1 ARG 77 10.409 2.623 -6.853 633 HH21 ARG 77 1HH2 ARG 77 11.683 1.231 -9.745 634 HH22 ARG 77 2HH2 ARG 77 11.403 2.684 -8.836 635 H LYS 78 H LYS 78 10.270 -6.550 -5.421 636 HA LYS 78 HA LYS 78 8.655 -7.575 -7.502 637 HB2 LYS 78 1HB LYS 78 9.554 -8.832 -4.890 638 HB3 LYS 78 2HB LYS 78 8.745 -9.751 -6.144 639 HG2 LYS 78 1HG LYS 78 11.059 -8.154 -7.111 640 HG3 LYS 78 2HG LYS 78 11.495 -9.356 -5.906 641 HD2 LYS 78 1HD LYS 78 9.741 -10.251 -8.204 642 HD3 LYS 78 2HD LYS 78 11.401 -9.809 -8.550 643 HE2 LYS 78 1HE LYS 78 11.576 -12.078 -8.194 644 HE3 LYS 78 2HE LYS 78 12.149 -11.381 -6.681 645 HZ1 LYS 78 3HZ LYS 78 9.359 -12.340 -7.055 646 HZ2 LYS 78 1HZ LYS 78 10.096 -11.981 -5.632 647 HZ3 LYS 78 2HZ LYS 78 10.547 -13.295 -6.485 648 H MET 79 H MET 79 7.720 -7.589 -4.029 649 HA MET 79 HA MET 79 4.951 -8.309 -4.724 650 HB2 MET 79 1HB MET 79 6.073 -9.114 -2.654 651 HB3 MET 79 2HB MET 79 6.048 -7.460 -2.038 652 HG2 MET 79 1HG MET 79 3.384 -7.949 -2.816 653 HG3 MET 79 2HG MET 79 3.926 -9.509 -2.224 654 HE1 MET 79 3HE MET 79 4.684 -9.937 0.348 655 HE2 MET 79 1HE MET 79 6.000 -8.806 -0.019 656 HE3 MET 79 2HE MET 79 5.035 -8.592 1.455 657 H LEU 80 H LEU 80 6.677 -5.345 -3.714 658 HA LEU 80 HA LEU 80 4.522 -3.588 -3.345 659 HB2 LEU 80 1HB LEU 80 6.972 -3.034 -2.996 660 HB3 LEU 80 2HB LEU 80 7.131 -2.990 -4.749 661 HG LEU 80 HG LEU 80 5.069 -1.266 -4.493 662 HD11 LEU 80 1HD1 LEU 80 4.712 -0.306 -2.569 663 HD12 LEU 80 2HD1 LEU 80 6.415 -0.094 -2.217 664 HD13 LEU 80 3HD1 LEU 80 5.623 -1.619 -1.822 665 HD21 LEU 80 3HD2 LEU 80 8.005 -0.796 -4.563 666 HD22 LEU 80 1HD2 LEU 80 6.871 0.576 -4.463 667 HD23 LEU 80 2HD2 LEU 80 6.780 -0.588 -5.799 668 H ASP 81 H ASP 81 6.144 -4.385 -6.491 669 HA ASP 81 HA ASP 81 4.597 -2.762 -8.182 670 HB2 ASP 81 1HB ASP 81 6.171 -5.302 -8.478 671 HB3 ASP 81 2HB ASP 81 4.996 -4.985 -9.731 672 H THR 82 H THR 82 3.676 -5.831 -6.743 673 HA THR 82 HA THR 82 1.214 -6.102 -8.295 674 HB THR 82 HB THR 82 1.472 -7.554 -5.697 675 HG1 THR 82 HG1 THR 82 3.491 -7.962 -6.235 676 HG21 THR 82 3HG2 THR 82 -0.350 -7.980 -7.382 677 HG22 THR 82 1HG2 THR 82 0.667 -9.414 -7.115 678 HG23 THR 82 2HG2 THR 82 0.894 -8.435 -8.570 679 H ALA 83 H ALA 83 1.978 -5.243 -4.876 680 HA ALA 83 HA ALA 83 -0.710 -4.558 -4.158 681 HB1 ALA 83 3HB ALA 83 1.865 -3.549 -2.903 682 HB2 ALA 83 1HB ALA 83 0.250 -3.684 -2.148 683 HB3 ALA 83 2HB ALA 83 1.151 -5.143 -2.588 684 H ARG 84 H ARG 84 1.809 -2.625 -5.676 685 HA ARG 84 HA ARG 84 0.669 0.009 -5.498 686 HB2 ARG 84 1HB ARG 84 2.567 -1.372 -7.426 687 HB3 ARG 84 2HB ARG 84 2.012 0.248 -7.785 688 HG2 ARG 84 1HG ARG 84 3.168 -0.366 -5.078 689 HG3 ARG 84 2HG ARG 84 4.248 -0.193 -6.450 690 HD2 ARG 84 1HD ARG 84 2.230 1.971 -6.329 691 HD3 ARG 84 2HD ARG 84 3.244 1.907 -4.895 692 HE ARG 84 HE ARG 84 5.134 1.712 -6.807 693 HH11 ARG 84 1HH1 ARG 84 2.640 4.062 -6.353 694 HH12 ARG 84 2HH1 ARG 84 3.594 5.363 -7.022 695 HH21 ARG 84 1HH2 ARG 84 6.277 3.341 -7.740 696 HH22 ARG 84 2HH2 ARG 84 5.568 4.919 -7.899 697 H SER 85 H SER 85 0.503 -2.337 -8.174 698 HA SER 85 HA SER 85 -1.366 -0.879 -9.733 699 HB2 SER 85 1HB SER 85 0.106 -3.019 -10.276 700 HB3 SER 85 2HB SER 85 -1.382 -3.883 -9.846 701 HG SER 85 HG SER 85 -2.452 -2.404 -11.384 702 H LEU 86 H LEU 86 -1.893 -2.741 -6.877 703 HA LEU 86 HA LEU 86 -4.821 -2.857 -7.254 704 HB2 LEU 86 1HB LEU 86 -2.965 -3.928 -5.111 705 HB3 LEU 86 2HB LEU 86 -4.727 -4.072 -5.032 706 HG LEU 86 HG LEU 86 -3.198 -5.119 -7.437 707 HD11 LEU 86 1HD1 LEU 86 -3.930 -6.708 -4.966 708 HD12 LEU 86 2HD1 LEU 86 -2.295 -6.118 -5.335 709 HD13 LEU 86 3HD1 LEU 86 -3.083 -7.283 -6.415 710 HD21 LEU 86 3HD2 LEU 86 -5.160 -6.515 -7.726 711 HD22 LEU 86 1HD2 LEU 86 -5.732 -4.850 -7.498 712 HD23 LEU 86 2HD2 LEU 86 -5.830 -6.000 -6.163 713 H LEU 87 H LEU 87 -2.462 -1.168 -5.150 714 HA LEU 87 HA LEU 87 -4.157 0.134 -3.386 715 HB2 LEU 87 1HB LEU 87 -1.732 0.337 -3.245 716 HB3 LEU 87 2HB LEU 87 -1.660 1.109 -4.830 717 HG LEU 87 HG LEU 87 -3.101 3.005 -3.817 718 HD11 LEU 87 1HD1 LEU 87 -3.405 3.181 -1.549 719 HD12 LEU 87 2HD1 LEU 87 -1.956 2.291 -1.143 720 HD13 LEU 87 3HD1 LEU 87 -3.397 1.415 -1.659 721 HD21 LEU 87 3HD2 LEU 87 -0.598 2.992 -4.384 722 HD22 LEU 87 1HD2 LEU 87 -0.404 2.901 -2.629 723 HD23 LEU 87 2HD2 LEU 87 -1.280 4.245 -3.337 724 H ILE 88 H ILE 88 -3.126 1.426 -6.555 725 HA ILE 88 HA ILE 88 -5.039 3.566 -6.404 726 HB ILE 88 HB ILE 88 -4.329 4.353 -8.415 727 HG12 ILE 88 1HG1 ILE 88 -4.729 2.448 -9.893 728 HG13 ILE 88 2HG1 ILE 88 -3.141 3.156 -10.165 729 HG21 ILE 88 1HG2 ILE 88 -2.514 4.256 -6.690 730 HG22 ILE 88 2HG2 ILE 88 -1.836 2.873 -7.522 731 HG23 ILE 88 3HG2 ILE 88 -1.996 4.439 -8.369 732 HD11 ILE 88 3HD1 ILE 88 -3.191 0.684 -10.272 733 HD12 ILE 88 1HD1 ILE 88 -2.044 1.325 -9.094 734 HD13 ILE 88 2HD1 ILE 88 -3.600 0.643 -8.548 735 H LYS 89 H LYS 89 -5.495 0.349 -7.171 736 HA LYS 89 HA LYS 89 -7.495 0.444 -9.263 737 HB2 LYS 89 1HB LYS 89 -6.069 -1.574 -8.402 738 HB3 LYS 89 2HB LYS 89 -7.310 -1.740 -7.160 739 HG2 LYS 89 1HG LYS 89 -8.359 -3.080 -8.570 740 HG3 LYS 89 2HG LYS 89 -8.885 -1.610 -9.377 741 HD2 LYS 89 1HD LYS 89 -8.020 -2.720 -11.178 742 HD3 LYS 89 2HD LYS 89 -6.560 -1.866 -10.683 743 HE2 LYS 89 1HE LYS 89 -5.468 -3.791 -10.244 744 HE3 LYS 89 2HE LYS 89 -6.768 -4.368 -9.198 745 HZ1 LYS 89 3HZ LYS 89 -6.303 -5.741 -11.265 746 HZ2 LYS 89 1HZ LYS 89 -6.994 -4.550 -12.140 747 HZ3 LYS 89 2HZ LYS 89 -7.868 -5.351 -11.015 748 H GLU 90 H GLU 90 -7.709 0.211 -5.731 749 HA GLU 90 HA GLU 90 -10.654 0.233 -5.744 750 HB2 GLU 90 1HB GLU 90 -8.973 0.746 -3.299 751 HB3 GLU 90 2HB GLU 90 -10.557 0.022 -3.442 752 HG2 GLU 90 1HG GLU 90 -9.633 -1.993 -3.391 753 HG3 GLU 90 2HG GLU 90 -8.993 -1.707 -4.973 754 H LEU 91 H LEU 91 -8.064 2.384 -4.646 755 HA LEU 91 HA LEU 91 -9.629 4.652 -3.988 756 HB2 LEU 91 1HB LEU 91 -6.719 4.408 -4.891 757 HB3 LEU 91 2HB LEU 91 -7.427 5.835 -4.097 758 HG LEU 91 HG LEU 91 -7.188 3.064 -2.846 759 HD11 LEU 91 1HD1 LEU 91 -5.456 5.526 -2.659 760 HD12 LEU 91 2HD1 LEU 91 -5.009 3.852 -2.971 761 HD13 LEU 91 3HD1 LEU 91 -5.516 4.327 -1.347 762 HD21 LEU 91 3HD2 LEU 91 -8.370 3.773 -1.169 763 HD22 LEU 91 1HD2 LEU 91 -8.903 5.129 -2.132 764 HD23 LEU 91 2HD2 LEU 91 -7.543 5.362 -1.062 765 H SER 92 H SER 92 -8.685 3.491 -7.057 766 HA SER 92 HA SER 92 -8.644 5.546 -8.796 767 HB2 SER 92 1HB SER 92 -8.563 3.818 -10.176 768 HB3 SER 92 2HB SER 92 -9.160 2.767 -8.921 769 HG SER 92 HG SER 92 -10.651 2.510 -10.410 770 H LEU 93 H LEU 93 -11.508 4.391 -7.210 771 HA LEU 93 HA LEU 93 -13.499 5.786 -8.619 772 HB2 LEU 93 1HB LEU 93 -13.594 3.945 -6.742 773 HB3 LEU 93 2HB LEU 93 -13.627 5.293 -5.624 774 HG LEU 93 HG LEU 93 -15.850 4.466 -6.084 775 HD11 LEU 93 1HD1 LEU 93 -15.522 6.945 -5.750 776 HD12 LEU 93 2HD1 LEU 93 -17.013 6.478 -6.594 777 HD13 LEU 93 3HD1 LEU 93 -15.654 7.134 -7.515 778 HD21 LEU 93 3HD2 LEU 93 -15.609 5.288 -9.001 779 HD22 LEU 93 1HD2 LEU 93 -16.869 4.320 -8.214 780 HD23 LEU 93 2HD2 LEU 93 -15.248 3.642 -8.448 781 H ALA 94 H ALA 94 -12.151 6.825 -5.478 782 HA ALA 94 HA ALA 94 -13.191 9.522 -5.708 783 HB1 ALA 94 3HB ALA 94 -10.951 8.563 -3.934 784 HB2 ALA 94 1HB ALA 94 -12.024 9.931 -3.644 785 HB3 ALA 94 2HB ALA 94 -12.670 8.276 -3.566 786 H LYS 95 H LYS 95 -10.198 8.014 -6.743 787 HA LYS 95 HA LYS 95 -8.467 10.196 -7.037 788 HB2 LYS 95 1HB LYS 95 -7.180 8.657 -7.906 789 HB3 LYS 95 2HB LYS 95 -8.538 7.532 -7.935 790 HG2 LYS 95 1HG LYS 95 -9.073 8.315 -10.247 791 HG3 LYS 95 2HG LYS 95 -7.623 9.325 -10.186 792 HD2 LYS 95 1HD LYS 95 -6.335 7.617 -10.822 793 HD3 LYS 95 2HD LYS 95 -6.927 6.565 -9.548 794 HE2 LYS 95 1HE LYS 95 -8.902 5.969 -10.906 795 HE3 LYS 95 2HE LYS 95 -8.397 7.079 -12.172 796 HZ1 LYS 95 3HZ LYS 95 -6.515 5.735 -12.648 797 HZ2 LYS 95 1HZ LYS 95 -7.774 4.708 -12.568 798 HZ3 LYS 95 2HZ LYS 95 -6.715 4.779 -11.325 799 H ASP 96 H ASP 96 -11.057 9.224 -9.215 800 HA ASP 96 HA ASP 96 -11.966 10.161 -11.096 801 HB2 ASP 96 1HB ASP 96 -12.864 11.371 -9.068 802 HB3 ASP 96 2HB ASP 96 -11.779 12.700 -9.456 803 H CYS 97 H CYS 97 -9.126 9.974 -11.364 804 HA CYS 97 HA CYS 97 -8.434 11.824 -13.481 805 HB2 CYS 97 1HB CYS 97 -7.988 12.786 -10.901 806 HB3 CYS 97 2HB CYS 97 -6.427 12.076 -11.302 807 HG CYS 97 HG CYS 97 -5.703 13.989 -12.576 808 H SER 98 H SER 98 -5.680 11.541 -13.510 809 HA SER 98 HA SER 98 -5.209 8.868 -14.481 810 HB2 SER 98 1HB SER 98 -3.383 11.173 -13.681 811 HB3 SER 98 2HB SER 98 -2.750 9.650 -14.322 812 HG SER 98 HG SER 98 -3.739 10.012 -16.248 813 H GLU 99 H GLU 99 -3.756 7.233 -13.606 814 HA GLU 99 HA GLU 99 -4.089 6.557 -10.852 815 HB2 GLU 99 1HB GLU 99 -1.972 5.668 -12.846 816 HB3 GLU 99 2HB GLU 99 -2.166 4.998 -11.210 817 HG2 GLU 99 1HG GLU 99 -4.501 4.379 -11.742 818 HG3 GLU 99 2HG GLU 99 -4.296 4.965 -13.394 819 H ASP 100 H ASP 100 -1.698 8.599 -12.354 820 HA ASP 100 HA ASP 100 0.292 8.817 -10.384 821 HB2 ASP 100 1HB ASP 100 -0.887 10.913 -12.236 822 HB3 ASP 100 2HB ASP 100 0.487 11.224 -11.184 823 H GLU 101 H GLU 101 -3.072 9.941 -10.120 824 HA GLU 101 HA GLU 101 -2.675 11.921 -8.087 825 HB2 GLU 101 1HB GLU 101 -4.794 11.714 -9.251 826 HB3 GLU 101 2HB GLU 101 -5.013 10.057 -8.714 827 HG2 GLU 101 1HG GLU 101 -5.607 10.590 -6.605 828 HG3 GLU 101 2HG GLU 101 -4.545 11.989 -6.492 829 H ILE 102 H ILE 102 -3.508 8.448 -7.766 830 HA ILE 102 HA ILE 102 -2.977 8.440 -4.883 831 HB ILE 102 HB ILE 102 -3.611 6.225 -6.799 832 HG12 ILE 102 1HG1 ILE 102 -5.607 7.017 -4.727 833 HG13 ILE 102 2HG1 ILE 102 -5.331 8.267 -5.921 834 HG21 ILE 102 1HG2 ILE 102 -2.481 5.325 -4.805 835 HG22 ILE 102 2HG2 ILE 102 -3.544 6.239 -3.742 836 HG23 ILE 102 3HG2 ILE 102 -4.194 4.926 -4.760 837 HD11 ILE 102 3HD1 ILE 102 -5.934 5.388 -6.672 838 HD12 ILE 102 1HD1 ILE 102 -7.106 6.692 -6.568 839 HD13 ILE 102 2HD1 ILE 102 -5.764 6.772 -7.747 840 H GLU 103 H GLU 103 -1.311 7.216 -7.809 841 HA GLU 103 HA GLU 103 0.783 5.788 -6.532 842 HB2 GLU 103 1HB GLU 103 0.343 7.040 -9.196 843 HB3 GLU 103 2HB GLU 103 2.019 6.759 -8.768 844 HG2 GLU 103 1HG GLU 103 1.829 4.473 -8.720 845 HG3 GLU 103 2HG GLU 103 0.134 4.482 -8.320 846 H SER 104 H SER 104 0.624 9.274 -7.492 847 HA SER 104 HA SER 104 3.208 9.861 -6.268 848 HB2 SER 104 1HB SER 104 1.052 11.857 -7.052 849 HB3 SER 104 2HB SER 104 2.751 12.175 -6.698 850 HG SER 104 HG SER 104 1.580 11.070 -8.952 851 H ASP 105 H ASP 105 -0.209 10.060 -5.116 852 HA ASP 105 HA ASP 105 0.276 11.640 -2.835 853 HB2 ASP 105 1HB ASP 105 -1.758 9.592 -3.577 854 HB3 ASP 105 2HB ASP 105 -1.560 9.872 -1.865 855 H LEU 106 H LEU 106 1.338 8.366 -3.376 856 HA LEU 106 HA LEU 106 1.861 7.557 -0.698 857 HB2 LEU 106 1HB LEU 106 3.528 7.029 -3.199 858 HB3 LEU 106 2HB LEU 106 3.607 6.104 -1.710 859 HG LEU 106 HG LEU 106 1.227 6.287 -3.575 860 HD11 LEU 106 1HD1 LEU 106 1.711 4.076 -4.262 861 HD12 LEU 106 2HD1 LEU 106 2.896 3.856 -2.961 862 HD13 LEU 106 3HD1 LEU 106 3.265 4.948 -4.289 863 HD21 LEU 106 3HD2 LEU 106 -0.093 5.444 -1.972 864 HD22 LEU 106 1HD2 LEU 106 1.182 5.634 -0.789 865 HD23 LEU 106 2HD2 LEU 106 1.056 4.122 -1.640 866 H LYS 107 H LYS 107 3.578 9.830 -2.739 867 HA LYS 107 HA LYS 107 5.927 10.030 -1.149 868 HB2 LYS 107 1HB LYS 107 6.533 11.790 -2.589 869 HB3 LYS 107 2HB LYS 107 5.377 10.908 -3.568 870 HG2 LYS 107 1HG LYS 107 3.606 12.579 -2.669 871 HG3 LYS 107 2HG LYS 107 4.941 13.530 -2.066 872 HD2 LYS 107 1HD LYS 107 5.534 14.285 -4.170 873 HD3 LYS 107 2HD LYS 107 5.274 12.705 -4.902 874 HE2 LYS 107 1HE LYS 107 3.588 13.804 -5.902 875 HE3 LYS 107 2HE LYS 107 2.750 13.160 -4.487 876 HZ1 LYS 107 3HZ LYS 107 3.705 15.941 -4.916 877 HZ2 LYS 107 1HZ LYS 107 3.209 15.427 -3.449 878 HZ3 LYS 107 2HZ LYS 107 2.166 15.461 -4.719 879 H LYS 108 H LYS 108 2.799 11.420 -0.716 880 HA LYS 108 HA LYS 108 3.611 13.287 1.470 881 HB2 LYS 108 1HB LYS 108 0.981 12.656 0.060 882 HB3 LYS 108 2HB LYS 108 1.082 13.736 1.448 883 HG2 LYS 108 1HG LYS 108 2.111 15.423 0.299 884 HG3 LYS 108 2HG LYS 108 3.001 14.342 -0.764 885 HD2 LYS 108 1HD LYS 108 1.375 15.662 -2.002 886 HD3 LYS 108 2HD LYS 108 1.032 13.926 -2.131 887 HE2 LYS 108 1HE LYS 108 -0.820 14.067 -0.655 888 HE3 LYS 108 2HE LYS 108 -0.375 15.679 -0.080 889 HZ1 LYS 108 3HZ LYS 108 -0.921 15.383 -2.943 890 HZ2 LYS 108 1HZ LYS 108 -1.265 16.644 -1.951 891 HZ3 LYS 108 2HZ LYS 108 -2.195 15.291 -1.951 892 H ILE 109 H ILE 109 2.080 10.182 1.003 893 HA ILE 109 HA ILE 109 1.186 9.828 3.755 894 HB ILE 109 HB ILE 109 1.623 7.794 1.541 895 HG12 ILE 109 1HG1 ILE 109 -1.058 8.920 2.501 896 HG13 ILE 109 2HG1 ILE 109 -0.202 9.702 1.197 897 HG21 ILE 109 1HG2 ILE 109 0.240 6.321 2.851 898 HG22 ILE 109 2HG2 ILE 109 1.549 6.841 3.881 899 HG23 ILE 109 3HG2 ILE 109 -0.040 7.584 4.080 900 HD11 ILE 109 3HD1 ILE 109 -1.977 8.076 0.473 901 HD12 ILE 109 1HD1 ILE 109 -0.387 7.802 -0.248 902 HD13 ILE 109 2HD1 ILE 109 -0.968 6.758 1.062 903 H PHE 110 H PHE 110 3.753 8.121 1.891 904 HA PHE 110 HA PHE 110 5.076 7.197 4.340 905 HB2 PHE 110 1HB PHE 110 5.975 6.771 1.505 906 HB3 PHE 110 2HB PHE 110 6.335 5.782 2.900 907 HD1 PHE 110 HD2 PHE 110 3.476 5.477 3.968 908 HD2 PHE 110 HD1 PHE 110 5.098 5.229 -0.011 909 HE1 PHE 110 HE2 PHE 110 1.539 4.102 3.234 910 HE2 PHE 110 HE1 PHE 110 3.188 3.825 -0.698 911 HZ PHE 110 HZ PHE 110 1.360 3.321 0.910 912 H ASN 111 H ASN 111 5.187 10.083 2.905 913 HA ASN 111 HA ASN 111 6.586 11.846 2.701 914 HB2 ASN 111 1HB ASN 111 6.585 11.272 5.173 915 HB3 ASN 111 2HB ASN 111 8.221 10.618 4.896 916 HD21 ASN 111 2HD2 ASN 111 9.721 12.148 5.641 917 HD22 ASN 111 1HD2 ASN 111 9.485 13.874 5.422 918 H LEU 112 H LEU 112 7.058 10.227 0.735 919 HA LEU 112 HA LEU 112 9.920 9.544 0.406 920 HB2 LEU 112 1HB LEU 112 7.834 9.429 -1.773 921 HB3 LEU 112 2HB LEU 112 9.317 8.522 -1.649 922 HG LEU 112 HG LEU 112 7.127 8.114 0.382 923 HD11 LEU 112 1HD1 LEU 112 5.768 7.022 -0.936 924 HD12 LEU 112 2HD1 LEU 112 7.049 6.106 -1.716 925 HD13 LEU 112 3HD1 LEU 112 6.605 7.704 -2.321 926 HD21 LEU 112 3HD2 LEU 112 8.127 6.004 0.791 927 HD22 LEU 112 1HD2 LEU 112 9.481 7.138 0.670 928 HD23 LEU 112 2HD2 LEU 112 9.074 6.078 -0.698 929 H ALA 113 H ALA 113 7.747 12.115 -0.505 930 HA ALA 113 HA ALA 113 8.870 13.217 -2.797 931 HB1 ALA 113 3HB ALA 113 7.070 14.456 -2.471 932 HB2 ALA 113 1HB ALA 113 6.986 14.070 -0.738 933 HB3 ALA 113 2HB ALA 113 7.970 15.426 -1.316 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -23.557 -17.022 16.527 2 H2 GLY 1 2H GLY 1 -24.043 -18.474 15.945 3 H3 GLY 1 3H GLY 1 -22.726 -18.381 16.913 4 HA2 GLY 1 1HA GLY 1 -21.955 -18.679 14.682 5 HA3 GLY 1 2HA GLY 1 -22.985 -17.331 14.172 6 H SER 2 H SER 2 -19.855 -18.140 14.950 7 HA SER 2 HA SER 2 -19.093 -15.292 15.469 8 HB2 SER 2 1HB SER 2 -18.874 -16.586 17.532 9 HB3 SER 2 2HB SER 2 -17.823 -17.756 16.718 10 HG SER 2 HG SER 2 -16.245 -16.252 16.564 11 H HIS 3 H HIS 3 -18.109 -14.547 13.769 12 HA HIS 3 HA HIS 3 -16.192 -16.223 12.177 13 HB2 HIS 3 1HB HIS 3 -18.264 -14.199 11.289 14 HB3 HIS 3 2HB HIS 3 -16.792 -14.415 10.360 15 HD1 HIS 3 HD1 HIS 3 -16.753 -16.368 8.667 16 HD2 HIS 3 HD2 HIS 3 -19.779 -16.616 11.610 17 HE1 HIS 3 HE1 HIS 3 -18.232 -18.376 8.022 18 HE2 HIS 3 HE2 HIS 3 -20.073 -18.527 9.816 19 H MET 4 H MET 4 -14.225 -15.510 11.937 20 HA MET 4 HA MET 4 -13.403 -12.703 12.361 21 HB2 MET 4 1HB MET 4 -12.779 -14.987 14.210 22 HB3 MET 4 2HB MET 4 -11.412 -13.969 13.758 23 HG2 MET 4 1HG MET 4 -12.448 -11.990 14.563 24 HG3 MET 4 2HG MET 4 -14.006 -12.778 14.775 25 HE1 MET 4 3HE MET 4 -14.852 -12.895 17.032 26 HE2 MET 4 1HE MET 4 -14.529 -14.603 16.663 27 HE3 MET 4 2HE MET 4 -14.112 -13.942 18.259 28 H GLY 5 H GLY 5 -11.754 -12.126 11.072 29 HA2 GLY 5 1HA GLY 5 -9.552 -13.421 10.120 30 HA3 GLY 5 2HA GLY 5 -10.791 -13.958 8.984 31 H SER 6 H SER 6 -11.612 -12.519 7.482 32 HA SER 6 HA SER 6 -10.092 -10.033 6.932 33 HB2 SER 6 1HB SER 6 -12.299 -11.495 5.423 34 HB3 SER 6 2HB SER 6 -11.557 -9.984 4.873 35 HG SER 6 HG SER 6 -10.139 -12.402 5.404 36 H VAL 7 H VAL 7 -11.293 -8.074 6.259 37 HA VAL 7 HA VAL 7 -12.971 -7.015 8.302 38 HB VAL 7 HB VAL 7 -12.711 -5.915 5.490 39 HG11 VAL 7 1HG1 VAL 7 -13.021 -3.730 6.592 40 HG12 VAL 7 2HG1 VAL 7 -14.399 -4.771 6.933 41 HG13 VAL 7 3HG1 VAL 7 -13.153 -4.524 8.175 42 HG21 VAL 7 3HG2 VAL 7 -10.441 -6.223 6.183 43 HG22 VAL 7 1HG2 VAL 7 -10.817 -4.528 6.475 44 HG23 VAL 7 2HG2 VAL 7 -10.795 -5.667 7.836 45 H GLY 8 H GLY 8 -13.803 -8.338 5.129 46 HA2 GLY 8 1HA GLY 8 -15.996 -9.639 5.225 47 HA3 GLY 8 2HA GLY 8 -16.750 -8.117 5.689 48 H LEU 9 H LEU 9 -14.809 -6.728 3.730 49 HA LEU 9 HA LEU 9 -16.333 -7.224 1.219 50 HB2 LEU 9 1HB LEU 9 -15.579 -4.994 0.530 51 HB3 LEU 9 2HB LEU 9 -16.587 -4.963 1.941 52 HG LEU 9 HG LEU 9 -13.607 -4.983 2.369 53 HD11 LEU 9 1HD1 LEU 9 -15.137 -2.533 1.478 54 HD12 LEU 9 2HD1 LEU 9 -13.850 -3.367 0.574 55 HD13 LEU 9 3HD1 LEU 9 -13.470 -2.556 2.099 56 HD21 LEU 9 3HD2 LEU 9 -15.921 -4.438 3.998 57 HD22 LEU 9 1HD2 LEU 9 -14.884 -3.004 3.939 58 HD23 LEU 9 2HD2 LEU 9 -14.210 -4.554 4.435 59 H ARG 10 H ARG 10 -14.764 -6.314 -0.640 60 HA ARG 10 HA ARG 10 -12.207 -7.892 -0.638 61 HB2 ARG 10 1HB ARG 10 -14.388 -7.907 -2.732 62 HB3 ARG 10 2HB ARG 10 -12.703 -8.039 -3.227 63 HG2 ARG 10 1HG ARG 10 -13.564 -10.226 -3.083 64 HG3 ARG 10 2HG ARG 10 -12.367 -10.009 -1.817 65 HD2 ARG 10 1HD ARG 10 -14.985 -9.354 -0.763 66 HD3 ARG 10 2HD ARG 10 -15.103 -10.886 -1.632 67 HE ARG 10 HE ARG 10 -12.795 -11.022 0.003 68 HH11 ARG 10 1HH1 ARG 10 -16.234 -10.807 0.554 69 HH12 ARG 10 2HH1 ARG 10 -16.131 -11.552 2.121 70 HH21 ARG 10 1HH2 ARG 10 -12.714 -12.006 1.978 71 HH22 ARG 10 2HH2 ARG 10 -14.182 -12.285 2.868 72 H GLU 11 H GLU 11 -13.474 -5.875 -3.169 73 HA GLU 11 HA GLU 11 -11.397 -3.756 -2.668 74 HB2 GLU 11 1HB GLU 11 -11.556 -5.759 -4.802 75 HB3 GLU 11 2HB GLU 11 -11.528 -4.128 -5.459 76 HG2 GLU 11 1HG GLU 11 -9.461 -3.614 -4.442 77 HG3 GLU 11 2HG GLU 11 -9.534 -5.003 -3.346 78 H ILE 12 H ILE 12 -14.488 -4.572 -4.184 79 HA ILE 12 HA ILE 12 -15.103 -2.050 -5.284 80 HB ILE 12 HB ILE 12 -16.265 -3.993 -5.968 81 HG12 ILE 12 1HG1 ILE 12 -18.571 -3.243 -5.968 82 HG13 ILE 12 2HG1 ILE 12 -18.296 -2.187 -4.585 83 HG21 ILE 12 1HG2 ILE 12 -18.062 -4.342 -3.631 84 HG22 ILE 12 2HG2 ILE 12 -17.321 -5.538 -4.709 85 HG23 ILE 12 3HG2 ILE 12 -16.407 -4.866 -3.350 86 HD11 ILE 12 3HD1 ILE 12 -16.837 -1.841 -7.239 87 HD12 ILE 12 1HD1 ILE 12 -18.372 -1.040 -6.841 88 HD13 ILE 12 2HD1 ILE 12 -16.927 -0.686 -5.888 89 H ILE 13 H ILE 13 -15.059 -0.240 -4.273 90 HA ILE 13 HA ILE 13 -16.673 0.251 -1.847 91 HB ILE 13 HB ILE 13 -14.843 1.541 -0.845 92 HG12 ILE 13 1HG1 ILE 13 -12.442 0.615 -1.580 93 HG13 ILE 13 2HG1 ILE 13 -13.185 0.520 -3.160 94 HG21 ILE 13 1HG2 ILE 13 -15.434 -0.793 -0.197 95 HG22 ILE 13 2HG2 ILE 13 -14.024 -1.339 -1.136 96 HG23 ILE 13 3HG2 ILE 13 -13.820 -0.252 0.251 97 HD11 ILE 13 3HD1 ILE 13 -11.931 2.607 -2.797 98 HD12 ILE 13 1HD1 ILE 13 -13.646 2.949 -3.103 99 HD13 ILE 13 2HD1 ILE 13 -12.974 3.038 -1.454 100 H SER 14 H SER 14 -16.535 2.655 -1.292 101 HA SER 14 HA SER 14 -16.824 4.387 -3.701 102 HB2 SER 14 1HB SER 14 -18.564 5.571 -2.477 103 HB3 SER 14 2HB SER 14 -18.972 3.852 -2.570 104 HG SER 14 HG SER 14 -19.270 4.594 -0.451 105 H GLU 15 H GLU 15 -16.746 6.795 -2.853 106 HA GLU 15 HA GLU 15 -14.137 7.453 -2.068 107 HB2 GLU 15 1HB GLU 15 -15.588 8.920 -3.268 108 HB3 GLU 15 2HB GLU 15 -16.741 9.023 -1.956 109 HG2 GLU 15 1HG GLU 15 -13.896 9.910 -1.429 110 HG3 GLU 15 2HG GLU 15 -14.875 10.881 -2.511 111 H GLU 16 H GLU 16 -16.747 6.551 0.101 112 HA GLU 16 HA GLU 16 -15.758 7.716 2.533 113 HB2 GLU 16 1HB GLU 16 -17.428 5.254 1.934 114 HB3 GLU 16 2HB GLU 16 -16.824 5.555 3.564 115 HG2 GLU 16 1HG GLU 16 -17.839 7.886 3.420 116 HG3 GLU 16 2HG GLU 16 -18.680 7.341 1.964 117 H ASP 17 H ASP 17 -15.112 4.416 1.256 118 HA ASP 17 HA ASP 17 -13.129 3.741 3.240 119 HB2 ASP 17 1HB ASP 17 -13.991 1.924 2.119 120 HB3 ASP 17 2HB ASP 17 -13.907 2.732 0.548 121 H VAL 18 H VAL 18 -12.877 5.273 -0.014 122 HA VAL 18 HA VAL 18 -10.090 5.337 -0.122 123 HB VAL 18 HB VAL 18 -11.906 7.450 -1.291 124 HG11 VAL 18 1HG1 VAL 18 -9.860 8.453 -1.508 125 HG12 VAL 18 2HG1 VAL 18 -8.949 6.944 -1.492 126 HG13 VAL 18 3HG1 VAL 18 -9.796 7.427 -2.953 127 HG21 VAL 18 3HG2 VAL 18 -12.606 5.429 -2.253 128 HG22 VAL 18 1HG2 VAL 18 -11.396 5.981 -3.404 129 HG23 VAL 18 2HG2 VAL 18 -10.997 4.719 -2.228 130 H LYS 19 H LYS 19 -12.206 7.486 1.730 131 HA LYS 19 HA LYS 19 -10.004 9.265 2.569 132 HB2 LYS 19 1HB LYS 19 -12.832 8.896 3.640 133 HB3 LYS 19 2HB LYS 19 -11.719 10.145 4.178 134 HG2 LYS 19 1HG LYS 19 -12.763 9.824 1.324 135 HG3 LYS 19 2HG LYS 19 -13.394 10.948 2.509 136 HD2 LYS 19 1HD LYS 19 -10.592 11.006 1.291 137 HD3 LYS 19 2HD LYS 19 -11.960 12.035 0.861 138 HE2 LYS 19 1HE LYS 19 -12.041 12.779 3.301 139 HE3 LYS 19 2HE LYS 19 -10.498 11.938 3.530 140 HZ1 LYS 19 3HZ LYS 19 -10.955 14.135 1.574 141 HZ2 LYS 19 1HZ LYS 19 -9.519 13.406 1.860 142 HZ3 LYS 19 2HZ LYS 19 -10.221 14.323 3.016 143 H GLN 20 H GLN 20 -11.669 6.469 4.051 144 HA GLN 20 HA GLN 20 -10.211 6.585 6.549 145 HB2 GLN 20 1HB GLN 20 -12.302 5.469 6.493 146 HB3 GLN 20 2HB GLN 20 -11.789 4.360 5.215 147 HG2 GLN 20 1HG GLN 20 -10.218 3.240 6.687 148 HG3 GLN 20 2HG GLN 20 -10.413 4.478 7.937 149 HE21 GLN 20 2HE2 GLN 20 -10.710 1.662 8.425 150 HE22 GLN 20 1HE2 GLN 20 -12.395 1.437 8.877 151 H VAL 21 H VAL 21 -9.726 4.529 3.650 152 HA VAL 21 HA VAL 21 -7.520 3.053 4.567 153 HB VAL 21 HB VAL 21 -8.890 2.548 2.598 154 HG11 VAL 21 1HG1 VAL 21 -7.188 4.383 0.922 155 HG12 VAL 21 2HG1 VAL 21 -8.791 3.630 0.621 156 HG13 VAL 21 3HG1 VAL 21 -8.649 5.001 1.700 157 HG21 VAL 21 3HG2 VAL 21 -7.114 1.669 1.166 158 HG22 VAL 21 1HG2 VAL 21 -5.922 2.691 1.994 159 HG23 VAL 21 2HG2 VAL 21 -6.743 1.389 2.877 160 H TYR 22 H TYR 22 -7.454 6.242 2.921 161 HA TYR 22 HA TYR 22 -4.631 6.539 2.853 162 HB2 TYR 22 1HB TYR 22 -6.995 8.363 2.787 163 HB3 TYR 22 2HB TYR 22 -5.490 9.093 3.307 164 HD1 TYR 22 HD2 TYR 22 -6.918 6.981 0.563 165 HD2 TYR 22 HD1 TYR 22 -3.825 9.727 1.762 166 HE1 TYR 22 HE2 TYR 22 -6.251 7.255 -1.811 167 HE2 TYR 22 HE1 TYR 22 -3.056 9.879 -0.598 168 HH TYR 22 HH TYR 22 -4.748 8.172 -3.250 169 H SER 23 H SER 23 -6.907 7.289 5.494 170 HA SER 23 HA SER 23 -5.045 8.349 7.375 171 HB2 SER 23 1HB SER 23 -7.557 8.491 7.414 172 HB3 SER 23 2HB SER 23 -7.581 6.839 8.049 173 HG SER 23 HG SER 23 -6.419 7.544 9.847 174 H ILE 24 H ILE 24 -5.581 5.045 6.400 175 HA ILE 24 HA ILE 24 -4.464 3.746 8.778 176 HB ILE 24 HB ILE 24 -4.731 2.616 5.960 177 HG12 ILE 24 1HG1 ILE 24 -6.607 2.360 8.356 178 HG13 ILE 24 2HG1 ILE 24 -6.914 3.316 6.912 179 HG21 ILE 24 1HG2 ILE 24 -4.576 0.429 7.085 180 HG22 ILE 24 2HG2 ILE 24 -3.110 1.367 7.272 181 HG23 ILE 24 3HG2 ILE 24 -4.253 1.240 8.630 182 HD11 ILE 24 3HD1 ILE 24 -6.757 1.175 5.548 183 HD12 ILE 24 1HD1 ILE 24 -6.830 0.302 7.095 184 HD13 ILE 24 2HD1 ILE 24 -8.166 1.368 6.619 185 H LEU 25 H LEU 25 -3.173 4.610 5.540 186 HA LEU 25 HA LEU 25 -0.468 3.876 6.407 187 HB2 LEU 25 1HB LEU 25 0.080 4.789 4.084 188 HB3 LEU 25 2HB LEU 25 -0.594 3.190 4.283 189 HG LEU 25 HG LEU 25 -2.494 5.439 3.695 190 HD11 LEU 25 1HD1 LEU 25 -0.386 5.287 2.012 191 HD12 LEU 25 2HD1 LEU 25 -2.052 5.613 1.486 192 HD13 LEU 25 3HD1 LEU 25 -1.342 3.998 1.321 193 HD21 LEU 25 3HD2 LEU 25 -2.245 2.555 2.740 194 HD22 LEU 25 1HD2 LEU 25 -3.645 3.635 2.488 195 HD23 LEU 25 2HD2 LEU 25 -3.241 3.038 4.111 196 H LYS 26 H LYS 26 -2.289 6.767 6.385 197 HA LYS 26 HA LYS 26 -0.327 8.758 6.247 198 HB2 LYS 26 1HB LYS 26 -3.027 8.682 6.813 199 HB3 LYS 26 2HB LYS 26 -2.388 9.109 8.382 200 HG2 LYS 26 1HG LYS 26 -2.857 11.143 7.316 201 HG3 LYS 26 2HG LYS 26 -1.103 10.987 7.146 202 HD2 LYS 26 1HD LYS 26 -1.488 10.049 4.815 203 HD3 LYS 26 2HD LYS 26 -3.215 10.345 5.008 204 HE2 LYS 26 1HE LYS 26 -1.031 12.472 5.267 205 HE3 LYS 26 2HE LYS 26 -1.888 12.157 3.758 206 HZ1 LYS 26 3HZ LYS 26 -3.431 12.821 6.190 207 HZ2 LYS 26 1HZ LYS 26 -3.854 13.030 4.626 208 HZ3 LYS 26 2HZ LYS 26 -2.751 14.013 5.313 209 H GLU 27 H GLU 27 -0.709 6.482 8.811 210 HA GLU 27 HA GLU 27 0.986 7.964 10.712 211 HB2 GLU 27 1HB GLU 27 -0.923 6.663 11.500 212 HB3 GLU 27 2HB GLU 27 -0.217 5.170 10.870 213 HG2 GLU 27 1HG GLU 27 1.421 5.081 12.514 214 HG3 GLU 27 2HG GLU 27 1.493 6.829 12.712 215 H LYS 28 H LYS 28 3.114 7.913 10.686 216 HA LYS 28 HA LYS 28 4.661 5.965 9.110 217 HB2 LYS 28 1HB LYS 28 5.286 8.559 10.538 218 HB3 LYS 28 2HB LYS 28 6.579 7.460 10.101 219 HG2 LYS 28 1HG LYS 28 6.398 9.061 8.375 220 HG3 LYS 28 2HG LYS 28 5.949 7.485 7.752 221 HD2 LYS 28 1HD LYS 28 4.646 9.320 6.829 222 HD3 LYS 28 2HD LYS 28 3.605 8.134 7.605 223 HE2 LYS 28 1HE LYS 28 3.056 9.573 9.371 224 HE3 LYS 28 2HE LYS 28 4.534 10.533 9.211 225 HZ1 LYS 28 3HZ LYS 28 3.631 11.569 7.259 226 HZ2 LYS 28 1HZ LYS 28 2.461 11.640 8.402 227 HZ3 LYS 28 2HZ LYS 28 2.354 10.538 7.206 228 H ASP 29 H ASP 29 3.378 5.706 12.075 229 HA ASP 29 HA ASP 29 5.660 4.543 13.526 230 HB2 ASP 29 1HB ASP 29 3.631 6.066 14.357 231 HB3 ASP 29 2HB ASP 29 2.837 4.514 14.577 232 H ILE 30 H ILE 30 4.328 3.267 11.110 233 HA ILE 30 HA ILE 30 3.518 0.597 12.141 234 HB ILE 30 HB ILE 30 2.630 0.205 9.900 235 HG12 ILE 30 1HG1 ILE 30 2.401 2.387 8.469 236 HG13 ILE 30 2HG1 ILE 30 3.820 2.932 9.327 237 HG21 ILE 30 1HG2 ILE 30 0.814 1.975 9.975 238 HG22 ILE 30 2HG2 ILE 30 1.076 1.067 11.470 239 HG23 ILE 30 3HG2 ILE 30 1.678 2.731 11.304 240 HD11 ILE 30 3HD1 ILE 30 3.684 0.295 7.808 241 HD12 ILE 30 1HD1 ILE 30 4.192 1.817 7.102 242 HD13 ILE 30 2HD1 ILE 30 5.149 1.104 8.377 243 H SER 31 H SER 31 6.346 2.035 11.236 244 HA SER 31 HA SER 31 7.588 0.603 9.237 245 HB2 SER 31 1HB SER 31 9.735 1.160 10.531 246 HB3 SER 31 2HB SER 31 8.698 2.484 9.986 247 HG SER 31 HG SER 31 9.421 2.703 12.186 248 H VAL 32 H VAL 32 7.512 -1.490 8.986 249 HA VAL 32 HA VAL 32 7.533 -3.454 11.062 250 HB VAL 32 HB VAL 32 7.919 -3.690 8.042 251 HG11 VAL 32 1HG1 VAL 32 7.471 -6.089 8.344 252 HG12 VAL 32 2HG1 VAL 32 9.002 -5.634 9.074 253 HG13 VAL 32 3HG1 VAL 32 7.590 -5.889 10.117 254 HG21 VAL 32 3HG2 VAL 32 5.704 -2.910 8.761 255 HG22 VAL 32 1HG2 VAL 32 5.660 -4.528 8.072 256 HG23 VAL 32 2HG2 VAL 32 5.553 -4.308 9.834 257 H ASP 33 H ASP 33 9.156 -4.433 12.133 258 HA ASP 33 HA ASP 33 11.913 -3.604 11.885 259 HB2 ASP 33 1HB ASP 33 10.464 -5.794 13.401 260 HB3 ASP 33 2HB ASP 33 12.222 -5.726 13.384 261 H SER 34 H SER 34 13.695 -4.603 10.936 262 HA SER 34 HA SER 34 13.364 -6.180 8.621 263 HB2 SER 34 1HB SER 34 15.934 -6.506 8.966 264 HB3 SER 34 2HB SER 34 15.267 -4.912 8.595 265 HG SER 34 HG SER 34 16.704 -4.724 10.314 266 H THR 35 H THR 35 14.142 -7.244 11.914 267 HA THR 35 HA THR 35 14.766 -9.988 11.297 268 HB THR 35 HB THR 35 13.481 -8.877 13.828 269 HG1 THR 35 HG1 THR 35 15.467 -7.950 13.531 270 HG21 THR 35 3HG2 THR 35 14.976 -11.494 13.334 271 HG22 THR 35 1HG2 THR 35 13.262 -11.327 13.790 272 HG23 THR 35 2HG2 THR 35 14.526 -10.851 14.928 273 H THR 36 H THR 36 11.643 -8.421 12.034 274 HA THR 36 HA THR 36 10.100 -10.870 11.559 275 HB THR 36 HB THR 36 9.142 -8.015 11.979 276 HG1 THR 36 HG1 THR 36 8.840 -8.802 14.127 277 HG21 THR 36 3HG2 THR 36 7.725 -10.703 12.325 278 HG22 THR 36 1HG2 THR 36 7.401 -9.523 11.048 279 HG23 THR 36 2HG2 THR 36 7.049 -9.105 12.729 280 H TRP 37 H TRP 37 11.092 -8.092 9.618 281 HA TRP 37 HA TRP 37 9.216 -7.985 7.674 282 HB2 TRP 37 1HB TRP 37 11.043 -6.450 7.661 283 HB3 TRP 37 2HB TRP 37 12.202 -7.740 7.348 284 HD1 TRP 37 HD1 TRP 37 13.164 -7.054 5.085 285 HE1 TRP 37 HE1 TRP 37 12.229 -6.839 2.693 286 HE3 TRP 37 HE3 TRP 37 8.168 -7.215 6.139 287 HZ2 TRP 37 HZ2 TRP 37 9.615 -6.921 1.401 288 HZ3 TRP 37 HZ3 TRP 37 6.501 -7.275 4.326 289 HH2 TRP 37 HH2 TRP 37 7.201 -7.158 1.961 290 H ASN 38 H ASN 38 11.888 -10.284 7.658 291 HA ASN 38 HA ASN 38 11.451 -11.636 5.250 292 HB2 ASN 38 1HB ASN 38 12.265 -12.854 7.931 293 HB3 ASN 38 2HB ASN 38 12.591 -13.545 6.338 294 HD21 ASN 38 2HD2 ASN 38 14.411 -12.560 8.608 295 HD22 ASN 38 1HD2 ASN 38 15.497 -11.468 7.760 296 H ARG 39 H ARG 39 9.589 -11.961 8.226 297 HA ARG 39 HA ARG 39 7.889 -14.174 7.201 298 HB2 ARG 39 1HB ARG 39 7.928 -12.690 9.867 299 HB3 ARG 39 2HB ARG 39 6.683 -13.840 9.397 300 HG2 ARG 39 1HG ARG 39 8.217 -15.010 10.743 301 HG3 ARG 39 2HG ARG 39 8.408 -15.610 9.096 302 HD2 ARG 39 1HD ARG 39 10.450 -14.437 8.780 303 HD3 ARG 39 2HD ARG 39 10.232 -13.450 10.233 304 HE ARG 39 HE ARG 39 11.367 -16.114 10.055 305 HH11 ARG 39 1HH1 ARG 39 9.657 -14.053 12.313 306 HH12 ARG 39 2HH1 ARG 39 10.211 -14.957 13.694 307 HH21 ARG 39 1HH2 ARG 39 12.043 -17.208 11.845 308 HH22 ARG 39 2HH2 ARG 39 11.537 -16.692 13.426 309 H ARG 40 H ARG 40 7.634 -10.726 8.018 310 HA ARG 40 HA ARG 40 4.882 -10.302 7.486 311 HB2 ARG 40 1HB ARG 40 7.204 -8.599 7.783 312 HB3 ARG 40 2HB ARG 40 6.207 -8.060 6.438 313 HG2 ARG 40 1HG ARG 40 5.316 -6.856 8.074 314 HG3 ARG 40 2HG ARG 40 4.199 -8.229 8.079 315 HD2 ARG 40 1HD ARG 40 5.303 -9.118 10.068 316 HD3 ARG 40 2HD ARG 40 6.615 -7.933 9.868 317 HE ARG 40 HE ARG 40 5.378 -6.285 10.856 318 HH11 ARG 40 1HH1 ARG 40 3.116 -8.931 10.309 319 HH12 ARG 40 2HH1 ARG 40 1.874 -8.125 11.214 320 HH21 ARG 40 1HH2 ARG 40 3.734 -5.326 11.941 321 HH22 ARG 40 2HH2 ARG 40 2.227 -6.167 12.132 322 H TYR 41 H TYR 41 7.556 -10.520 5.186 323 HA TYR 41 HA TYR 41 6.271 -9.838 2.802 324 HB2 TYR 41 1HB TYR 41 8.722 -10.679 3.360 325 HB3 TYR 41 2HB TYR 41 8.100 -12.244 2.871 326 HD1 TYR 41 HD2 TYR 41 6.629 -12.044 0.488 327 HD2 TYR 41 HD1 TYR 41 9.884 -9.517 1.760 328 HE1 TYR 41 HE2 TYR 41 6.898 -11.223 -1.831 329 HE2 TYR 41 HE1 TYR 41 10.181 -8.729 -0.592 330 HH TYR 41 HH TYR 41 9.480 -8.947 -2.773 331 H ARG 42 H ARG 42 6.094 -12.891 4.580 332 HA ARG 42 HA ARG 42 4.606 -14.405 2.632 333 HB2 ARG 42 1HB ARG 42 5.942 -15.088 4.917 334 HB3 ARG 42 2HB ARG 42 4.309 -15.076 5.548 335 HG2 ARG 42 1HG ARG 42 4.353 -17.251 4.816 336 HG3 ARG 42 2HG ARG 42 3.771 -16.497 3.333 337 HD2 ARG 42 1HD ARG 42 5.574 -18.025 2.772 338 HD3 ARG 42 2HD ARG 42 6.158 -16.368 2.529 339 HE ARG 42 HE ARG 42 6.693 -17.447 5.200 340 HH11 ARG 42 1HH1 ARG 42 8.082 -17.355 2.001 341 HH12 ARG 42 2HH1 ARG 42 9.711 -17.490 2.609 342 HH21 ARG 42 1HH2 ARG 42 8.752 -17.585 5.920 343 HH22 ARG 42 2HH2 ARG 42 10.070 -17.621 4.789 344 H GLU 43 H GLU 43 3.451 -12.939 5.698 345 HA GLU 43 HA GLU 43 0.673 -13.402 5.217 346 HB2 GLU 43 1HB GLU 43 0.223 -11.524 6.790 347 HB3 GLU 43 2HB GLU 43 1.272 -12.802 7.416 348 HG2 GLU 43 1HG GLU 43 3.234 -11.446 7.052 349 HG3 GLU 43 2HG GLU 43 2.262 -10.115 6.394 350 H TYR 44 H TYR 44 2.603 -10.470 4.413 351 HA TYR 44 HA TYR 44 0.517 -9.100 3.077 352 HB2 TYR 44 1HB TYR 44 3.515 -8.975 2.763 353 HB3 TYR 44 2HB TYR 44 2.407 -7.818 2.072 354 HD1 TYR 44 HD2 TYR 44 0.650 -8.213 4.955 355 HD2 TYR 44 HD1 TYR 44 4.551 -6.888 3.690 356 HE1 TYR 44 HE2 TYR 44 0.924 -7.021 7.099 357 HE2 TYR 44 HE1 TYR 44 4.858 -5.721 5.916 358 HH TYR 44 HH TYR 44 3.697 -5.019 7.878 359 H MET 45 H MET 45 2.802 -11.490 1.691 360 HA MET 45 HA MET 45 2.031 -11.245 -1.008 361 HB2 MET 45 1HB MET 45 3.296 -13.369 0.658 362 HB3 MET 45 2HB MET 45 2.390 -13.985 -0.710 363 HG2 MET 45 1HG MET 45 3.635 -12.354 -2.180 364 HG3 MET 45 2HG MET 45 4.677 -12.009 -0.805 365 HE1 MET 45 3HE MET 45 6.535 -14.355 -3.579 366 HE2 MET 45 1HE MET 45 4.948 -13.698 -4.035 367 HE3 MET 45 2HE MET 45 6.127 -12.669 -3.203 368 H GLU 46 H GLU 46 0.288 -12.836 1.637 369 HA GLU 46 HA GLU 46 -1.746 -14.027 -0.131 370 HB2 GLU 46 1HB GLU 46 -1.949 -13.667 2.865 371 HB3 GLU 46 2HB GLU 46 -2.822 -14.799 1.801 372 HG2 GLU 46 1HG GLU 46 -0.723 -15.953 1.276 373 HG3 GLU 46 2HG GLU 46 0.167 -14.850 2.306 374 H LYS 47 H LYS 47 -1.424 -11.119 1.893 375 HA LYS 47 HA LYS 47 -4.133 -10.263 1.620 376 HB2 LYS 47 1HB LYS 47 -1.548 -8.842 2.238 377 HB3 LYS 47 2HB LYS 47 -2.921 -7.872 1.750 378 HG2 LYS 47 1HG LYS 47 -2.854 -7.797 4.025 379 HG3 LYS 47 2HG LYS 47 -4.280 -8.751 3.603 380 HD2 LYS 47 1HD LYS 47 -3.337 -10.726 4.521 381 HD3 LYS 47 2HD LYS 47 -1.693 -10.115 4.296 382 HE2 LYS 47 1HE LYS 47 -1.614 -9.564 6.423 383 HE3 LYS 47 2HE LYS 47 -2.669 -8.220 6.008 384 HZ1 LYS 47 3HZ LYS 47 -3.513 -9.546 7.874 385 HZ2 LYS 47 1HZ LYS 47 -3.681 -10.864 6.918 386 HZ3 LYS 47 2HZ LYS 47 -4.567 -9.479 6.649 387 H ILE 48 H ILE 48 -1.684 -10.377 -0.805 388 HA ILE 48 HA ILE 48 -2.721 -8.308 -2.521 389 HB ILE 48 HB ILE 48 -1.174 -10.693 -3.539 390 HG12 ILE 48 1HG1 ILE 48 0.121 -10.073 -1.660 391 HG13 ILE 48 2HG1 ILE 48 0.897 -9.369 -3.066 392 HG21 ILE 48 1HG2 ILE 48 -1.387 -7.770 -4.377 393 HG22 ILE 48 2HG2 ILE 48 -0.180 -8.898 -5.005 394 HG23 ILE 48 3HG2 ILE 48 -1.896 -9.196 -5.299 395 HD11 ILE 48 3HD1 ILE 48 -0.414 -7.164 -2.490 396 HD12 ILE 48 1HD1 ILE 48 -0.705 -7.912 -0.920 397 HD13 ILE 48 2HD1 ILE 48 0.963 -7.646 -1.503 398 H LYS 49 H LYS 49 -3.691 -11.571 -2.002 399 HA LYS 49 HA LYS 49 -5.724 -11.423 -4.219 400 HB2 LYS 49 1HB LYS 49 -5.429 -13.709 -4.657 401 HB3 LYS 49 2HB LYS 49 -3.803 -13.056 -4.473 402 HG2 LYS 49 1HG LYS 49 -4.110 -13.858 -1.938 403 HG3 LYS 49 2HG LYS 49 -5.388 -14.862 -2.631 404 HD2 LYS 49 1HD LYS 49 -3.533 -16.279 -2.667 405 HD3 LYS 49 2HD LYS 49 -3.526 -15.619 -4.314 406 HE2 LYS 49 1HE LYS 49 -2.010 -13.722 -3.126 407 HE3 LYS 49 2HE LYS 49 -1.754 -14.988 -1.924 408 HZ1 LYS 49 3HZ LYS 49 -1.174 -15.219 -4.840 409 HZ2 LYS 49 1HZ LYS 49 -0.932 -16.418 -3.755 410 HZ3 LYS 49 2HZ LYS 49 -0.053 -15.039 -3.670 411 H THR 50 H THR 50 -5.235 -12.078 -0.858 412 HA THR 50 HA THR 50 -8.141 -12.801 -0.478 413 HB THR 50 HB THR 50 -7.622 -13.844 1.555 414 HG1 THR 50 HG1 THR 50 -4.950 -12.937 1.305 415 HG21 THR 50 3HG2 THR 50 -5.169 -14.569 -0.063 416 HG22 THR 50 1HG2 THR 50 -6.810 -15.106 -0.526 417 HG23 THR 50 2HG2 THR 50 -6.105 -15.591 1.035 418 H GLY 51 H GLY 51 -5.684 -10.492 0.317 419 HA2 GLY 51 1HA GLY 51 -6.970 -9.266 2.581 420 HA3 GLY 51 2HA GLY 51 -5.611 -8.603 1.668 421 H SER 52 H SER 52 -8.147 -7.525 2.701 422 HA SER 52 HA SER 52 -9.685 -6.700 0.382 423 HB2 SER 52 1HB SER 52 -10.211 -6.897 3.052 424 HB3 SER 52 2HB SER 52 -9.811 -5.176 2.970 425 HG SER 52 HG SER 52 -11.394 -5.884 0.880 426 H VAL 53 H VAL 53 -10.109 -4.253 0.134 427 HA VAL 53 HA VAL 53 -7.981 -2.755 -0.788 428 HB VAL 53 HB VAL 53 -10.126 -2.054 -1.366 429 HG11 VAL 53 1HG1 VAL 53 -11.412 -2.968 0.554 430 HG12 VAL 53 2HG1 VAL 53 -10.818 -1.641 1.573 431 HG13 VAL 53 3HG1 VAL 53 -11.850 -1.309 0.183 432 HG21 VAL 53 3HG2 VAL 53 -10.163 0.266 -0.958 433 HG22 VAL 53 1HG2 VAL 53 -9.445 0.110 0.650 434 HG23 VAL 53 2HG2 VAL 53 -8.452 -0.155 -0.768 435 H PHE 54 H PHE 54 -9.374 -2.436 2.474 436 HA PHE 54 HA PHE 54 -7.527 -0.594 3.556 437 HB2 PHE 54 1HB PHE 54 -9.126 -2.836 4.850 438 HB3 PHE 54 2HB PHE 54 -8.268 -1.595 5.748 439 HD1 PHE 54 HD1 PHE 54 -8.896 0.961 4.533 440 HD2 PHE 54 HD2 PHE 54 -11.451 -2.503 4.872 441 HE1 PHE 54 HE1 PHE 54 -10.872 2.415 4.446 442 HE2 PHE 54 HE2 PHE 54 -13.440 -0.999 4.825 443 HZ PHE 54 HZ PHE 54 -13.150 1.443 4.668 444 H GLU 55 H GLU 55 -7.086 -3.985 2.903 445 HA GLU 55 HA GLU 55 -4.613 -4.173 4.517 446 HB2 GLU 55 1HB GLU 55 -5.874 -6.325 2.795 447 HB3 GLU 55 2HB GLU 55 -4.528 -6.444 3.917 448 HG2 GLU 55 1HG GLU 55 -6.294 -5.476 5.664 449 HG3 GLU 55 2HG GLU 55 -7.455 -6.164 4.521 450 H ILE 56 H ILE 56 -5.484 -4.386 0.980 451 HA ILE 56 HA ILE 56 -2.922 -4.605 -0.111 452 HB ILE 56 HB ILE 56 -5.359 -3.073 -1.035 453 HG12 ILE 56 1HG1 ILE 56 -5.459 -5.558 -0.922 454 HG13 ILE 56 2HG1 ILE 56 -5.740 -4.873 -2.521 455 HG21 ILE 56 1HG2 ILE 56 -3.593 -1.882 -2.144 456 HG22 ILE 56 2HG2 ILE 56 -2.750 -3.378 -2.578 457 HG23 ILE 56 3HG2 ILE 56 -4.328 -2.963 -3.302 458 HD11 ILE 56 3HD1 ILE 56 -4.384 -6.867 -2.678 459 HD12 ILE 56 1HD1 ILE 56 -3.400 -5.475 -3.159 460 HD13 ILE 56 2HD1 ILE 56 -3.176 -6.201 -1.555 461 H ALA 57 H ALA 57 -4.592 -1.562 0.775 462 HA ALA 57 HA ALA 57 -2.376 0.122 0.160 463 HB1 ALA 57 3HB ALA 57 -3.707 1.793 0.918 464 HB2 ALA 57 1HB ALA 57 -4.955 0.547 0.924 465 HB3 ALA 57 2HB ALA 57 -4.112 0.957 2.435 466 H GLU 58 H GLU 58 -3.057 -1.709 3.171 467 HA GLU 58 HA GLU 58 -0.883 -0.574 4.708 468 HB2 GLU 58 1HB GLU 58 -2.638 -3.022 4.975 469 HB3 GLU 58 2HB GLU 58 -1.109 -2.993 5.822 470 HG2 GLU 58 1HG GLU 58 -2.021 -0.563 6.532 471 HG3 GLU 58 2HG GLU 58 -3.554 -1.350 6.243 472 H VAL 59 H VAL 59 -1.177 -3.489 2.650 473 HA VAL 59 HA VAL 59 1.331 -4.646 3.090 474 HB VAL 59 HB VAL 59 -0.267 -4.567 0.501 475 HG11 VAL 59 1HG1 VAL 59 1.176 -6.878 0.428 476 HG12 VAL 59 2HG1 VAL 59 1.675 -5.377 -0.382 477 HG13 VAL 59 3HG1 VAL 59 2.344 -5.822 1.198 478 HG21 VAL 59 3HG2 VAL 59 -1.233 -5.700 2.682 479 HG22 VAL 59 1HG2 VAL 59 -1.271 -6.523 1.116 480 HG23 VAL 59 2HG2 VAL 59 -0.047 -6.944 2.341 481 H LEU 60 H LEU 60 0.622 -2.539 0.261 482 HA LEU 60 HA LEU 60 3.355 -2.275 -0.497 483 HB2 LEU 60 1HB LEU 60 2.397 -1.458 -2.252 484 HB3 LEU 60 2HB LEU 60 0.843 -1.413 -1.490 485 HG LEU 60 HG LEU 60 2.810 0.920 -1.221 486 HD11 LEU 60 1HD1 LEU 60 0.715 0.531 -3.348 487 HD12 LEU 60 2HD1 LEU 60 2.473 0.343 -3.548 488 HD13 LEU 60 3HD1 LEU 60 1.835 1.916 -3.117 489 HD21 LEU 60 3HD2 LEU 60 0.463 2.088 -1.071 490 HD22 LEU 60 1HD2 LEU 60 1.018 1.242 0.328 491 HD23 LEU 60 2HD2 LEU 60 -0.150 0.455 -0.716 492 H ARG 61 H ARG 61 1.485 -0.418 1.815 493 HA ARG 61 HA ARG 61 3.300 1.757 2.265 494 HB2 ARG 61 1HB ARG 61 1.021 1.909 3.045 495 HB3 ARG 61 2HB ARG 61 1.138 0.427 3.918 496 HG2 ARG 61 1HG ARG 61 3.015 1.711 5.313 497 HG3 ARG 61 2HG ARG 61 2.127 3.113 4.748 498 HD2 ARG 61 1HD ARG 61 1.129 2.583 6.772 499 HD3 ARG 61 2HD ARG 61 0.039 1.802 5.610 500 HE ARG 61 HE ARG 61 1.979 -0.126 6.402 501 HH11 ARG 61 1HH1 ARG 61 -0.720 1.613 7.938 502 HH12 ARG 61 2HH1 ARG 61 -1.151 0.109 8.753 503 HH21 ARG 61 1HH2 ARG 61 1.539 -1.689 7.829 504 HH22 ARG 61 2HH2 ARG 61 0.047 -1.565 8.795 505 H ASP 62 H ASP 62 2.925 -1.345 4.007 506 HA ASP 62 HA ASP 62 5.061 -0.993 5.829 507 HB2 ASP 62 1HB ASP 62 4.085 -3.582 4.557 508 HB3 ASP 62 2HB ASP 62 5.126 -3.455 5.973 509 H LEU 63 H LEU 63 5.176 -2.514 2.571 510 HA LEU 63 HA LEU 63 8.000 -2.879 2.423 511 HB2 LEU 63 1HB LEU 63 5.859 -2.519 0.294 512 HB3 LEU 63 2HB LEU 63 7.569 -2.641 -0.092 513 HG LEU 63 HG LEU 63 7.537 -4.794 1.395 514 HD11 LEU 63 1HD1 LEU 63 5.228 -4.664 2.234 515 HD12 LEU 63 2HD1 LEU 63 5.388 -6.071 1.180 516 HD13 LEU 63 3HD1 LEU 63 4.611 -4.611 0.563 517 HD21 LEU 63 3HD2 LEU 63 6.081 -5.325 -1.161 518 HD22 LEU 63 1HD2 LEU 63 7.558 -6.043 -0.491 519 HD23 LEU 63 2HD2 LEU 63 7.613 -4.457 -1.259 520 H TYR 64 H TYR 64 6.110 0.057 1.593 521 HA TYR 64 HA TYR 64 8.399 1.506 0.629 522 HB2 TYR 64 1HB TYR 64 5.573 2.102 1.270 523 HB3 TYR 64 2HB TYR 64 6.666 3.432 1.591 524 HD1 TYR 64 HD2 TYR 64 8.317 4.163 -0.200 525 HD2 TYR 64 HD1 TYR 64 4.949 1.615 -1.000 526 HE1 TYR 64 HE2 TYR 64 8.410 4.810 -2.587 527 HE2 TYR 64 HE1 TYR 64 5.044 2.205 -3.391 528 HH TYR 64 HH TYR 64 7.515 4.583 -4.617 529 H LEU 65 H LEU 65 6.861 1.569 3.898 530 HA LEU 65 HA LEU 65 8.861 3.397 4.951 531 HB2 LEU 65 1HB LEU 65 6.825 1.599 6.308 532 HB3 LEU 65 2HB LEU 65 8.016 2.533 7.196 533 HG LEU 65 HG LEU 65 7.102 4.628 5.889 534 HD11 LEU 65 1HD1 LEU 65 4.950 2.624 5.377 535 HD12 LEU 65 2HD1 LEU 65 5.715 3.716 4.257 536 HD13 LEU 65 3HD1 LEU 65 4.609 4.356 5.489 537 HD21 LEU 65 3HD2 LEU 65 5.044 4.467 7.643 538 HD22 LEU 65 1HD2 LEU 65 6.723 4.793 8.119 539 HD23 LEU 65 2HD2 LEU 65 6.064 3.172 8.279 540 H LEU 66 H LEU 66 8.787 -0.111 4.680 541 HA LEU 66 HA LEU 66 10.903 -0.826 6.418 542 HB2 LEU 66 1HB LEU 66 9.667 -1.929 3.905 543 HB3 LEU 66 2HB LEU 66 11.195 -2.618 4.413 544 HG LEU 66 HG LEU 66 8.960 -2.346 6.437 545 HD11 LEU 66 1HD1 LEU 66 7.915 -3.557 4.572 546 HD12 LEU 66 2HD1 LEU 66 8.288 -4.671 5.871 547 HD13 LEU 66 3HD1 LEU 66 9.324 -4.578 4.412 548 HD21 LEU 66 3HD2 LEU 66 11.239 -4.340 6.010 549 HD22 LEU 66 1HD2 LEU 66 10.122 -4.312 7.386 550 HD23 LEU 66 2HD2 LEU 66 11.267 -2.984 7.155 551 H LYS 67 H LYS 67 11.059 0.587 3.218 552 HA LYS 67 HA LYS 67 14.050 0.559 3.241 553 HB2 LYS 67 1HB LYS 67 12.139 0.015 1.275 554 HB3 LYS 67 2HB LYS 67 12.701 1.617 0.842 555 HG2 LYS 67 1HG LYS 67 14.665 -0.655 1.403 556 HG3 LYS 67 2HG LYS 67 13.775 -0.576 -0.096 557 HD2 LYS 67 1HD LYS 67 15.715 0.492 -0.726 558 HD3 LYS 67 2HD LYS 67 14.685 1.867 -0.312 559 HE2 LYS 67 1HE LYS 67 15.729 1.681 2.053 560 HE3 LYS 67 2HE LYS 67 16.902 0.578 1.350 561 HZ1 LYS 67 3HZ LYS 67 16.484 3.231 0.120 562 HZ2 LYS 67 1HZ LYS 67 17.825 2.298 0.093 563 HZ3 LYS 67 2HZ LYS 67 17.413 3.107 1.452 564 H GLY 68 H GLY 68 11.319 2.798 3.327 565 HA2 GLY 68 1HA GLY 68 11.208 5.020 3.947 566 HA3 GLY 68 2HA GLY 68 12.873 4.910 4.521 567 H ASP 69 H ASP 69 12.141 4.163 1.176 568 HA ASP 69 HA ASP 69 13.015 6.798 0.171 569 HB2 ASP 69 1HB ASP 69 14.856 4.671 0.533 570 HB3 ASP 69 2HB ASP 69 14.431 4.574 -1.166 571 H LYS 70 H LYS 70 12.789 6.924 -2.204 572 HA LYS 70 HA LYS 70 10.321 5.691 -3.182 573 HB2 LYS 70 1HB LYS 70 10.762 6.982 -5.238 574 HB3 LYS 70 2HB LYS 70 10.847 7.959 -3.772 575 HG2 LYS 70 1HG LYS 70 13.429 7.569 -3.882 576 HG3 LYS 70 2HG LYS 70 13.157 7.004 -5.526 577 HD2 LYS 70 1HD LYS 70 12.115 9.701 -4.569 578 HD3 LYS 70 2HD LYS 70 13.803 9.484 -5.042 579 HE2 LYS 70 1HE LYS 70 13.171 8.721 -7.257 580 HE3 LYS 70 2HE LYS 70 11.448 8.814 -6.860 581 HZ1 LYS 70 3HZ LYS 70 12.536 10.806 -8.059 582 HZ2 LYS 70 1HZ LYS 70 13.174 11.204 -6.611 583 HZ3 LYS 70 2HZ LYS 70 11.553 11.148 -6.800 584 H ASP 71 H ASP 71 13.726 5.129 -3.750 585 HA ASP 71 HA ASP 71 13.190 2.991 -5.731 586 HB2 ASP 71 1HB ASP 71 14.975 4.753 -6.055 587 HB3 ASP 71 2HB ASP 71 15.869 4.023 -4.727 588 H LEU 72 H LEU 72 12.068 1.625 -4.241 589 HA LEU 72 HA LEU 72 13.237 0.568 -1.860 590 HB2 LEU 72 1HB LEU 72 11.233 -0.867 -3.624 591 HB3 LEU 72 2HB LEU 72 11.526 -1.136 -1.910 592 HG LEU 72 HG LEU 72 10.256 1.324 -3.172 593 HD11 LEU 72 1HD1 LEU 72 8.248 0.602 -2.231 594 HD12 LEU 72 2HD1 LEU 72 9.026 -0.566 -1.138 595 HD13 LEU 72 3HD1 LEU 72 8.969 -0.909 -2.857 596 HD21 LEU 72 3HD2 LEU 72 11.590 1.922 -1.126 597 HD22 LEU 72 1HD2 LEU 72 10.616 0.748 -0.203 598 HD23 LEU 72 2HD2 LEU 72 9.857 2.165 -0.949 599 H SER 73 H SER 73 13.897 -1.754 -1.495 600 HA SER 73 HA SER 73 16.084 -2.555 -3.178 601 HB2 SER 73 1HB SER 73 14.487 -3.935 -0.998 602 HB3 SER 73 2HB SER 73 15.724 -4.805 -1.917 603 HG SER 73 HG SER 73 16.657 -3.902 -0.083 604 H PHE 74 H PHE 74 16.257 -4.181 -4.709 605 HA PHE 74 HA PHE 74 14.237 -4.628 -6.567 606 HB2 PHE 74 1HB PHE 74 16.600 -5.051 -6.985 607 HB3 PHE 74 2HB PHE 74 16.610 -6.391 -5.847 608 HD1 PHE 74 HD1 PHE 74 15.577 -8.564 -6.421 609 HD2 PHE 74 HD2 PHE 74 15.579 -5.282 -9.224 610 HE1 PHE 74 HE1 PHE 74 14.875 -10.108 -8.243 611 HE2 PHE 74 HE2 PHE 74 14.928 -6.847 -11.044 612 HZ PHE 74 HZ PHE 74 14.592 -9.259 -10.555 613 H GLY 75 H GLY 75 15.008 -6.710 -3.771 614 HA2 GLY 75 1HA GLY 75 13.101 -8.769 -4.236 615 HA3 GLY 75 2HA GLY 75 13.797 -8.347 -2.670 616 H GLU 76 H GLU 76 12.719 -5.709 -2.395 617 HA GLU 76 HA GLU 76 10.009 -6.312 -1.478 618 HB2 GLU 76 1HB GLU 76 11.472 -3.638 -1.650 619 HB3 GLU 76 2HB GLU 76 9.991 -3.979 -0.750 620 HG2 GLU 76 1HG GLU 76 11.271 -5.697 0.590 621 HG3 GLU 76 2HG GLU 76 12.740 -5.204 -0.234 622 H ARG 77 H ARG 77 11.416 -4.345 -4.079 623 HA ARG 77 HA ARG 77 9.112 -3.214 -5.192 624 HB2 ARG 77 1HB ARG 77 11.657 -2.926 -5.758 625 HB3 ARG 77 2HB ARG 77 11.397 -4.242 -6.890 626 HG2 ARG 77 1HG ARG 77 11.198 -2.290 -8.160 627 HG3 ARG 77 2HG ARG 77 9.519 -2.776 -7.926 628 HD2 ARG 77 1HD ARG 77 9.103 -0.994 -6.406 629 HD3 ARG 77 2HD ARG 77 10.805 -0.842 -5.981 630 HE ARG 77 HE ARG 77 11.200 0.549 -7.755 631 HH11 ARG 77 1HH1 ARG 77 8.008 -0.766 -8.333 632 HH12 ARG 77 2HH1 ARG 77 7.727 0.304 -9.676 633 HH21 ARG 77 1HH2 ARG 77 10.791 1.853 -9.458 634 HH22 ARG 77 2HH2 ARG 77 9.269 1.755 -10.288 635 H LYS 78 H LYS 78 10.220 -6.513 -5.570 636 HA LYS 78 HA LYS 78 8.658 -7.429 -7.744 637 HB2 LYS 78 1HB LYS 78 9.290 -8.976 -5.203 638 HB3 LYS 78 2HB LYS 78 8.801 -9.669 -6.731 639 HG2 LYS 78 1HG LYS 78 11.189 -7.998 -7.083 640 HG3 LYS 78 2HG LYS 78 11.416 -9.151 -5.769 641 HD2 LYS 78 1HD LYS 78 12.206 -10.346 -7.587 642 HD3 LYS 78 2HD LYS 78 10.537 -10.924 -7.483 643 HE2 LYS 78 1HE LYS 78 10.149 -8.760 -9.070 644 HE3 LYS 78 2HE LYS 78 11.860 -9.028 -9.442 645 HZ1 LYS 78 3HZ LYS 78 10.125 -11.380 -9.580 646 HZ2 LYS 78 1HZ LYS 78 11.335 -10.934 -10.583 647 HZ3 LYS 78 2HZ LYS 78 9.860 -10.252 -10.724 648 H MET 79 H MET 79 7.682 -7.624 -4.295 649 HA MET 79 HA MET 79 4.914 -8.344 -4.991 650 HB2 MET 79 1HB MET 79 6.088 -9.178 -2.953 651 HB3 MET 79 2HB MET 79 6.068 -7.534 -2.304 652 HG2 MET 79 1HG MET 79 3.384 -8.075 -3.045 653 HG3 MET 79 2HG MET 79 3.972 -9.597 -2.413 654 HE1 MET 79 3HE MET 79 4.868 -9.907 0.108 655 HE2 MET 79 1HE MET 79 6.077 -8.626 -0.182 656 HE3 MET 79 2HE MET 79 5.047 -8.556 1.252 657 H LEU 80 H LEU 80 6.631 -5.391 -3.932 658 HA LEU 80 HA LEU 80 4.408 -3.704 -3.515 659 HB2 LEU 80 1HB LEU 80 6.844 -3.119 -3.091 660 HB3 LEU 80 2HB LEU 80 7.025 -2.957 -4.839 661 HG LEU 80 HG LEU 80 4.848 -1.338 -4.447 662 HD11 LEU 80 1HD1 LEU 80 5.094 -1.825 -1.944 663 HD12 LEU 80 2HD1 LEU 80 4.803 -0.178 -2.503 664 HD13 LEU 80 3HD1 LEU 80 6.430 -0.674 -2.002 665 HD21 LEU 80 3HD2 LEU 80 7.772 -0.779 -4.554 666 HD22 LEU 80 1HD2 LEU 80 6.639 0.546 -4.290 667 HD23 LEU 80 2HD2 LEU 80 6.515 -0.498 -5.740 668 H ASP 81 H ASP 81 6.111 -4.369 -6.648 669 HA ASP 81 HA ASP 81 4.615 -2.677 -8.304 670 HB2 ASP 81 1HB ASP 81 6.672 -3.986 -8.885 671 HB3 ASP 81 2HB ASP 81 5.678 -5.440 -9.003 672 H THR 82 H THR 82 3.705 -5.877 -7.065 673 HA THR 82 HA THR 82 1.261 -6.126 -8.590 674 HB THR 82 HB THR 82 1.651 -7.502 -5.929 675 HG1 THR 82 HG1 THR 82 2.971 -8.997 -6.873 676 HG21 THR 82 3HG2 THR 82 0.649 -8.429 -8.663 677 HG22 THR 82 1HG2 THR 82 -0.390 -7.905 -7.321 678 HG23 THR 82 2HG2 THR 82 0.605 -9.368 -7.160 679 H ALA 83 H ALA 83 1.928 -5.288 -5.133 680 HA ALA 83 HA ALA 83 -0.769 -4.609 -4.485 681 HB1 ALA 83 3HB ALA 83 1.810 -3.684 -3.175 682 HB2 ALA 83 1HB ALA 83 0.167 -3.594 -2.480 683 HB3 ALA 83 2HB ALA 83 0.899 -5.170 -2.806 684 H ARG 84 H ARG 84 1.743 -2.626 -5.982 685 HA ARG 84 HA ARG 84 0.530 -0.034 -5.830 686 HB2 ARG 84 1HB ARG 84 2.440 -1.348 -7.787 687 HB3 ARG 84 2HB ARG 84 1.836 0.274 -8.101 688 HG2 ARG 84 1HG ARG 84 3.072 -0.453 -5.451 689 HG3 ARG 84 2HG ARG 84 4.082 -0.044 -6.828 690 HD2 ARG 84 1HD ARG 84 1.801 1.815 -6.093 691 HD3 ARG 84 2HD ARG 84 3.226 1.815 -5.086 692 HE ARG 84 HE ARG 84 2.985 3.004 -7.698 693 HH11 ARG 84 1HH1 ARG 84 5.344 1.434 -5.702 694 HH12 ARG 84 2HH1 ARG 84 6.619 2.495 -6.199 695 HH21 ARG 84 1HH2 ARG 84 4.743 4.175 -8.508 696 HH22 ARG 84 2HH2 ARG 84 6.333 3.805 -7.912 697 H SER 85 H SER 85 0.228 -2.535 -8.378 698 HA SER 85 HA SER 85 -1.559 -1.020 -10.013 699 HB2 SER 85 1HB SER 85 -1.822 -2.871 -11.358 700 HB3 SER 85 2HB SER 85 -0.201 -3.069 -10.695 701 HG SER 85 HG SER 85 -0.909 -4.732 -9.449 702 H LEU 86 H LEU 86 -2.161 -2.869 -7.177 703 HA LEU 86 HA LEU 86 -5.099 -2.787 -7.432 704 HB2 LEU 86 1HB LEU 86 -3.250 -3.864 -5.265 705 HB3 LEU 86 2HB LEU 86 -4.998 -4.072 -5.270 706 HG LEU 86 HG LEU 86 -3.396 -5.091 -7.645 707 HD11 LEU 86 1HD1 LEU 86 -2.950 -7.168 -6.600 708 HD12 LEU 86 2HD1 LEU 86 -3.812 -6.705 -5.119 709 HD13 LEU 86 3HD1 LEU 86 -2.280 -5.913 -5.558 710 HD21 LEU 86 3HD2 LEU 86 -5.180 -6.805 -7.646 711 HD22 LEU 86 1HD2 LEU 86 -5.852 -5.167 -7.764 712 HD23 LEU 86 2HD2 LEU 86 -5.912 -6.041 -6.219 713 H LEU 87 H LEU 87 -2.570 -1.248 -5.455 714 HA LEU 87 HA LEU 87 -4.035 0.188 -3.593 715 HB2 LEU 87 1HB LEU 87 -1.574 0.230 -3.695 716 HB3 LEU 87 2HB LEU 87 -1.627 1.090 -5.242 717 HG LEU 87 HG LEU 87 -2.867 2.989 -4.040 718 HD11 LEU 87 1HD1 LEU 87 -1.852 1.439 -1.648 719 HD12 LEU 87 2HD1 LEU 87 -3.522 1.892 -1.988 720 HD13 LEU 87 3HD1 LEU 87 -2.328 3.147 -1.593 721 HD21 LEU 87 3HD2 LEU 87 -0.333 2.773 -4.718 722 HD22 LEU 87 1HD2 LEU 87 -0.144 2.793 -2.956 723 HD23 LEU 87 2HD2 LEU 87 -0.972 4.106 -3.760 724 H ILE 88 H ILE 88 -3.129 1.368 -6.862 725 HA ILE 88 HA ILE 88 -4.982 3.562 -6.581 726 HB ILE 88 HB ILE 88 -4.327 4.421 -8.547 727 HG12 ILE 88 1HG1 ILE 88 -4.877 2.539 -10.066 728 HG13 ILE 88 2HG1 ILE 88 -3.336 3.305 -10.450 729 HG21 ILE 88 1HG2 ILE 88 -2.449 4.191 -6.925 730 HG22 ILE 88 2HG2 ILE 88 -1.831 2.848 -7.867 731 HG23 ILE 88 3HG2 ILE 88 -1.996 4.464 -8.607 732 HD11 ILE 88 3HD1 ILE 88 -2.105 1.439 -9.585 733 HD12 ILE 88 1HD1 ILE 88 -3.584 0.730 -8.883 734 HD13 ILE 88 2HD1 ILE 88 -3.378 0.813 -10.643 735 H LYS 89 H LYS 89 -5.475 0.334 -7.585 736 HA LYS 89 HA LYS 89 -7.622 0.613 -9.469 737 HB2 LYS 89 1HB LYS 89 -6.348 -1.527 -8.966 738 HB3 LYS 89 2HB LYS 89 -7.239 -1.654 -7.459 739 HG2 LYS 89 1HG LYS 89 -8.427 -3.075 -8.789 740 HG3 LYS 89 2HG LYS 89 -9.387 -1.612 -8.897 741 HD2 LYS 89 1HD LYS 89 -9.251 -2.351 -11.120 742 HD3 LYS 89 2HD LYS 89 -8.011 -1.095 -11.060 743 HE2 LYS 89 1HE LYS 89 -6.811 -3.590 -10.211 744 HE3 LYS 89 2HE LYS 89 -7.788 -3.951 -11.633 745 HZ1 LYS 89 3HZ LYS 89 -5.638 -1.901 -11.486 746 HZ2 LYS 89 1HZ LYS 89 -6.568 -2.179 -12.814 747 HZ3 LYS 89 2HZ LYS 89 -5.548 -3.328 -12.267 748 H GLU 90 H GLU 90 -7.829 -0.105 -6.010 749 HA GLU 90 HA GLU 90 -10.687 0.310 -5.766 750 HB2 GLU 90 1HB GLU 90 -10.211 0.270 -3.331 751 HB3 GLU 90 2HB GLU 90 -9.577 -1.096 -4.227 752 HG2 GLU 90 1HG GLU 90 -7.435 0.729 -4.233 753 HG3 GLU 90 2HG GLU 90 -8.173 1.027 -2.691 754 H LEU 91 H LEU 91 -7.877 2.398 -5.005 755 HA LEU 91 HA LEU 91 -9.463 4.618 -4.148 756 HB2 LEU 91 1HB LEU 91 -6.570 4.487 -5.096 757 HB3 LEU 91 2HB LEU 91 -7.304 5.851 -4.221 758 HG LEU 91 HG LEU 91 -6.962 3.025 -3.133 759 HD11 LEU 91 1HD1 LEU 91 -5.359 5.550 -2.757 760 HD12 LEU 91 2HD1 LEU 91 -4.804 3.916 -3.155 761 HD13 LEU 91 3HD1 LEU 91 -5.371 4.266 -1.525 762 HD21 LEU 91 3HD2 LEU 91 -7.999 3.534 -1.300 763 HD22 LEU 91 1HD2 LEU 91 -8.837 4.757 -2.226 764 HD23 LEU 91 2HD2 LEU 91 -7.461 5.236 -1.245 765 H SER 92 H SER 92 -8.653 3.634 -7.328 766 HA SER 92 HA SER 92 -8.767 5.805 -8.942 767 HB2 SER 92 1HB SER 92 -8.576 3.474 -9.730 768 HB3 SER 92 2HB SER 92 -10.294 3.224 -9.383 769 HG SER 92 HG SER 92 -9.990 3.688 -11.561 770 H LEU 93 H LEU 93 -11.480 4.519 -7.159 771 HA LEU 93 HA LEU 93 -13.599 5.860 -8.399 772 HB2 LEU 93 1HB LEU 93 -13.184 4.255 -6.040 773 HB3 LEU 93 2HB LEU 93 -14.107 5.657 -5.547 774 HG LEU 93 HG LEU 93 -15.677 4.019 -6.079 775 HD11 LEU 93 1HD1 LEU 93 -15.698 5.583 -8.660 776 HD12 LEU 93 2HD1 LEU 93 -15.950 6.378 -7.089 777 HD13 LEU 93 3HD1 LEU 93 -17.044 5.080 -7.628 778 HD21 LEU 93 3HD2 LEU 93 -13.978 3.445 -8.517 779 HD22 LEU 93 1HD2 LEU 93 -15.695 2.992 -8.482 780 HD23 LEU 93 2HD2 LEU 93 -14.583 2.343 -7.268 781 H ALA 94 H ALA 94 -12.248 6.893 -5.296 782 HA ALA 94 HA ALA 94 -13.267 9.593 -5.554 783 HB1 ALA 94 3HB ALA 94 -11.092 8.997 -3.599 784 HB2 ALA 94 1HB ALA 94 -12.580 9.912 -3.393 785 HB3 ALA 94 2HB ALA 94 -12.640 8.137 -3.413 786 H LYS 95 H LYS 95 -10.263 8.161 -6.578 787 HA LYS 95 HA LYS 95 -8.442 10.271 -6.648 788 HB2 LYS 95 1HB LYS 95 -7.259 8.751 -7.633 789 HB3 LYS 95 2HB LYS 95 -8.678 7.737 -7.882 790 HG2 LYS 95 1HG LYS 95 -9.046 8.839 -10.072 791 HG3 LYS 95 2HG LYS 95 -7.559 9.772 -9.815 792 HD2 LYS 95 1HD LYS 95 -6.289 8.105 -10.575 793 HD3 LYS 95 2HD LYS 95 -7.023 6.910 -9.513 794 HE2 LYS 95 1HE LYS 95 -8.821 6.475 -11.045 795 HE3 LYS 95 2HE LYS 95 -8.437 7.884 -12.015 796 HZ1 LYS 95 3HZ LYS 95 -6.329 6.805 -12.631 797 HZ2 LYS 95 1HZ LYS 95 -7.624 5.941 -13.110 798 HZ3 LYS 95 2HZ LYS 95 -6.770 5.440 -11.815 799 H ASP 96 H ASP 96 -11.048 9.701 -8.959 800 HA ASP 96 HA ASP 96 -11.924 10.894 -10.696 801 HB2 ASP 96 1HB ASP 96 -12.695 11.937 -8.497 802 HB3 ASP 96 2HB ASP 96 -11.615 13.276 -8.858 803 H CYS 97 H CYS 97 -9.069 10.617 -10.941 804 HA CYS 97 HA CYS 97 -8.287 12.678 -12.860 805 HB2 CYS 97 1HB CYS 97 -7.851 13.369 -10.284 806 HB3 CYS 97 2HB CYS 97 -6.419 12.364 -10.515 807 HG CYS 97 HG CYS 97 -6.089 15.058 -10.833 808 H SER 98 H SER 98 -5.558 12.186 -12.942 809 HA SER 98 HA SER 98 -5.309 9.566 -14.211 810 HB2 SER 98 1HB SER 98 -3.494 11.904 -13.619 811 HB3 SER 98 2HB SER 98 -2.756 10.349 -14.026 812 HG SER 98 HG SER 98 -3.133 11.574 -15.904 813 H GLU 99 H GLU 99 -3.706 7.884 -13.579 814 HA GLU 99 HA GLU 99 -3.938 6.990 -10.865 815 HB2 GLU 99 1HB GLU 99 -1.913 6.225 -13.003 816 HB3 GLU 99 2HB GLU 99 -2.037 5.446 -11.408 817 HG2 GLU 99 1HG GLU 99 -4.430 4.909 -11.891 818 HG3 GLU 99 2HG GLU 99 -4.247 5.573 -13.513 819 H ASP 100 H ASP 100 -1.597 9.143 -12.306 820 HA ASP 100 HA ASP 100 0.450 9.177 -10.368 821 HB2 ASP 100 1HB ASP 100 -0.665 11.154 -12.337 822 HB3 ASP 100 2HB ASP 100 0.284 11.822 -11.026 823 H GLU 101 H GLU 101 -2.901 10.293 -9.937 824 HA GLU 101 HA GLU 101 -2.446 12.136 -7.779 825 HB2 GLU 101 1HB GLU 101 -4.594 11.996 -8.891 826 HB3 GLU 101 2HB GLU 101 -4.763 10.297 -8.498 827 HG2 GLU 101 1HG GLU 101 -5.633 10.658 -6.522 828 HG3 GLU 101 2HG GLU 101 -4.355 11.750 -6.020 829 H ILE 102 H ILE 102 -3.263 8.650 -7.738 830 HA ILE 102 HA ILE 102 -2.698 8.390 -4.886 831 HB ILE 102 HB ILE 102 -3.370 6.331 -6.954 832 HG12 ILE 102 1HG1 ILE 102 -5.381 7.000 -4.852 833 HG13 ILE 102 2HG1 ILE 102 -5.101 8.329 -5.958 834 HG21 ILE 102 1HG2 ILE 102 -2.262 5.300 -5.026 835 HG22 ILE 102 2HG2 ILE 102 -3.313 6.163 -3.901 836 HG23 ILE 102 3HG2 ILE 102 -3.981 4.920 -4.991 837 HD11 ILE 102 3HD1 ILE 102 -5.562 6.968 -7.877 838 HD12 ILE 102 1HD1 ILE 102 -5.685 5.500 -6.899 839 HD13 ILE 102 2HD1 ILE 102 -6.891 6.762 -6.698 840 H GLU 103 H GLU 103 -1.058 7.364 -7.912 841 HA GLU 103 HA GLU 103 1.023 5.832 -6.738 842 HB2 GLU 103 1HB GLU 103 0.588 7.258 -9.337 843 HB3 GLU 103 2HB GLU 103 2.257 6.941 -8.927 844 HG2 GLU 103 1HG GLU 103 1.834 4.562 -8.674 845 HG3 GLU 103 2HG GLU 103 0.111 4.808 -8.924 846 H SER 104 H SER 104 0.895 9.367 -7.512 847 HA SER 104 HA SER 104 3.529 9.898 -6.370 848 HB2 SER 104 1HB SER 104 2.386 11.213 -8.245 849 HB3 SER 104 2HB SER 104 1.376 11.942 -6.974 850 HG SER 104 HG SER 104 3.228 13.186 -7.498 851 H ASP 105 H ASP 105 0.147 10.059 -5.126 852 HA ASP 105 HA ASP 105 0.652 11.525 -2.803 853 HB2 ASP 105 1HB ASP 105 -1.437 9.680 -3.678 854 HB3 ASP 105 2HB ASP 105 -1.107 9.444 -2.000 855 H LEU 106 H LEU 106 1.790 8.287 -3.472 856 HA LEU 106 HA LEU 106 2.363 7.375 -0.856 857 HB2 LEU 106 1HB LEU 106 4.081 6.991 -3.341 858 HB3 LEU 106 2HB LEU 106 4.070 5.989 -1.898 859 HG LEU 106 HG LEU 106 1.778 6.317 -3.875 860 HD11 LEU 106 1HD1 LEU 106 3.453 3.845 -3.388 861 HD12 LEU 106 2HD1 LEU 106 3.743 4.993 -4.704 862 HD13 LEU 106 3HD1 LEU 106 2.217 4.098 -4.636 863 HD21 LEU 106 3HD2 LEU 106 0.381 5.233 -2.527 864 HD22 LEU 106 1HD2 LEU 106 1.474 5.562 -1.205 865 HD23 LEU 106 2HD2 LEU 106 1.595 4.028 -2.042 866 H LYS 107 H LYS 107 4.283 9.667 -2.815 867 HA LYS 107 HA LYS 107 6.464 9.886 -0.925 868 HB2 LYS 107 1HB LYS 107 7.296 11.543 -2.340 869 HB3 LYS 107 2HB LYS 107 6.400 10.476 -3.417 870 HG2 LYS 107 1HG LYS 107 4.426 12.269 -2.782 871 HG3 LYS 107 2HG LYS 107 5.819 13.303 -2.557 872 HD2 LYS 107 1HD LYS 107 5.204 11.709 -5.092 873 HD3 LYS 107 2HD LYS 107 4.748 13.391 -4.810 874 HE2 LYS 107 1HE LYS 107 7.454 13.419 -4.229 875 HE3 LYS 107 2HE LYS 107 7.370 12.172 -5.480 876 HZ1 LYS 107 3HZ LYS 107 6.318 14.949 -5.742 877 HZ2 LYS 107 1HZ LYS 107 6.205 13.804 -6.902 878 HZ3 LYS 107 2HZ LYS 107 7.668 14.390 -6.460 879 H LYS 108 H LYS 108 3.314 11.200 -0.927 880 HA LYS 108 HA LYS 108 3.829 13.305 1.128 881 HB2 LYS 108 1HB LYS 108 1.731 12.669 -0.896 882 HB3 LYS 108 2HB LYS 108 1.080 13.178 0.646 883 HG2 LYS 108 1HG LYS 108 1.811 15.310 0.459 884 HG3 LYS 108 2HG LYS 108 3.308 14.894 -0.375 885 HD2 LYS 108 1HD LYS 108 0.661 14.558 -1.817 886 HD3 LYS 108 2HD LYS 108 1.357 16.165 -1.645 887 HE2 LYS 108 1HE LYS 108 3.334 14.137 -2.515 888 HE3 LYS 108 2HE LYS 108 1.980 14.290 -3.637 889 HZ1 LYS 108 3HZ LYS 108 3.664 16.563 -2.706 890 HZ2 LYS 108 1HZ LYS 108 2.408 16.686 -3.743 891 HZ3 LYS 108 2HZ LYS 108 3.745 15.873 -4.186 892 H ILE 109 H ILE 109 2.409 10.096 0.801 893 HA ILE 109 HA ILE 109 1.357 10.076 3.534 894 HB ILE 109 HB ILE 109 1.700 7.790 1.582 895 HG12 ILE 109 1HG1 ILE 109 -1.014 8.975 2.190 896 HG13 ILE 109 2HG1 ILE 109 -0.028 9.839 1.036 897 HG21 ILE 109 1HG2 ILE 109 -0.352 7.087 3.254 898 HG22 ILE 109 2HG2 ILE 109 1.351 6.677 3.535 899 HG23 ILE 109 3HG2 ILE 109 0.609 8.060 4.349 900 HD11 ILE 109 3HD1 ILE 109 -1.653 7.870 0.234 901 HD12 ILE 109 1HD1 ILE 109 -0.088 8.129 -0.547 902 HD13 ILE 109 2HD1 ILE 109 -0.246 6.867 0.620 903 H PHE 110 H PHE 110 3.849 7.973 1.940 904 HA PHE 110 HA PHE 110 4.860 7.054 4.510 905 HB2 PHE 110 1HB PHE 110 6.210 6.670 1.841 906 HB3 PHE 110 2HB PHE 110 6.272 5.635 3.239 907 HD1 PHE 110 HD2 PHE 110 3.378 5.292 3.899 908 HD2 PHE 110 HD1 PHE 110 5.374 5.331 0.083 909 HE1 PHE 110 HE2 PHE 110 1.486 4.018 2.835 910 HE2 PHE 110 HE1 PHE 110 3.583 3.974 -0.882 911 HZ PHE 110 HZ PHE 110 1.576 3.408 0.476 912 H ASN 111 H ASN 111 5.532 9.715 2.555 913 HA ASN 111 HA ASN 111 7.015 11.406 2.499 914 HB2 ASN 111 1HB ASN 111 6.289 11.365 4.937 915 HB3 ASN 111 2HB ASN 111 7.872 10.683 5.298 916 HD21 ASN 111 2HD2 ASN 111 6.175 13.496 3.867 917 HD22 ASN 111 1HD2 ASN 111 7.522 14.598 4.117 918 H LEU 112 H LEU 112 8.027 10.178 0.800 919 HA LEU 112 HA LEU 112 10.663 8.942 1.395 920 HB2 LEU 112 1HB LEU 112 9.191 9.121 -1.269 921 HB3 LEU 112 2HB LEU 112 10.686 8.271 -0.942 922 HG LEU 112 HG LEU 112 9.218 6.514 -0.918 923 HD11 LEU 112 1HD1 LEU 112 8.764 5.706 1.296 924 HD12 LEU 112 2HD1 LEU 112 8.867 7.327 1.983 925 HD13 LEU 112 3HD1 LEU 112 10.314 6.552 1.313 926 HD21 LEU 112 3HD2 LEU 112 7.068 8.152 0.377 927 HD22 LEU 112 1HD2 LEU 112 6.990 6.508 -0.290 928 HD23 LEU 112 2HD2 LEU 112 7.263 7.846 -1.378 929 H ALA 113 H ALA 113 9.654 11.115 -1.205 930 HA ALA 113 HA ALA 113 10.560 12.843 -2.302 931 HB1 ALA 113 3HB ALA 113 11.190 14.703 -1.071 932 HB2 ALA 113 1HB ALA 113 10.281 13.771 0.132 933 HB3 ALA 113 2HB ALA 113 12.057 13.749 0.146 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -24.799 -17.442 5.180 2 H2 GLY 1 2H GLY 1 -25.187 -16.068 5.986 3 H3 GLY 1 3H GLY 1 -25.541 -16.212 4.393 4 HA2 GLY 1 1HA GLY 1 -23.224 -16.239 3.791 5 HA3 GLY 1 2HA GLY 1 -23.634 -14.772 4.697 6 H SER 2 H SER 2 -21.378 -17.150 4.432 7 HA SER 2 HA SER 2 -20.312 -16.793 7.190 8 HB2 SER 2 1HB SER 2 -19.838 -19.271 7.237 9 HB3 SER 2 2HB SER 2 -21.525 -18.790 7.418 10 HG SER 2 HG SER 2 -21.325 -20.527 5.960 11 H HIS 3 H HIS 3 -19.357 -15.364 5.172 12 HA HIS 3 HA HIS 3 -16.890 -16.647 4.107 13 HB2 HIS 3 1HB HIS 3 -18.088 -13.879 3.665 14 HB3 HIS 3 2HB HIS 3 -16.590 -14.453 2.939 15 HD1 HIS 3 HD1 HIS 3 -16.895 -16.729 1.292 16 HD2 HIS 3 HD2 HIS 3 -20.309 -14.477 2.373 17 HE1 HIS 3 HE1 HIS 3 -18.769 -17.421 -0.334 18 HE2 HIS 3 HE2 HIS 3 -20.844 -16.044 0.319 19 H MET 4 H MET 4 -14.942 -16.346 4.871 20 HA MET 4 HA MET 4 -14.364 -14.301 6.978 21 HB2 MET 4 1HB MET 4 -14.026 -17.241 7.031 22 HB3 MET 4 2HB MET 4 -12.517 -16.389 7.352 23 HG2 MET 4 1HG MET 4 -13.525 -15.129 9.160 24 HG3 MET 4 2HG MET 4 -15.126 -15.767 8.770 25 HE1 MET 4 3HE MET 4 -15.999 -17.046 10.848 26 HE2 MET 4 1HE MET 4 -14.845 -17.539 12.106 27 HE3 MET 4 2HE MET 4 -14.843 -15.865 11.505 28 H GLY 5 H GLY 5 -12.284 -13.440 6.981 29 HA2 GLY 5 1HA GLY 5 -10.267 -14.023 4.991 30 HA3 GLY 5 2HA GLY 5 -11.197 -12.585 4.548 31 H SER 6 H SER 6 -10.956 -10.718 5.731 32 HA SER 6 HA SER 6 -9.266 -10.630 8.173 33 HB2 SER 6 1HB SER 6 -8.519 -9.373 5.542 34 HB3 SER 6 2HB SER 6 -7.985 -8.668 7.080 35 HG SER 6 HG SER 6 -7.513 -11.339 6.188 36 H VAL 7 H VAL 7 -10.402 -8.067 5.893 37 HA VAL 7 HA VAL 7 -11.522 -6.629 8.218 38 HB VAL 7 HB VAL 7 -11.550 -5.682 5.346 39 HG11 VAL 7 1HG1 VAL 7 -11.537 -3.431 6.590 40 HG12 VAL 7 2HG1 VAL 7 -13.027 -4.362 6.713 41 HG13 VAL 7 3HG1 VAL 7 -11.871 -4.339 8.063 42 HG21 VAL 7 3HG2 VAL 7 -9.399 -5.397 7.484 43 HG22 VAL 7 1HG2 VAL 7 -9.227 -6.087 5.854 44 HG23 VAL 7 2HG2 VAL 7 -9.500 -4.360 6.053 45 H GLY 8 H GLY 8 -12.772 -8.259 5.355 46 HA2 GLY 8 1HA GLY 8 -15.024 -9.353 5.787 47 HA3 GLY 8 2HA GLY 8 -15.611 -7.750 6.214 48 H LEU 9 H LEU 9 -13.614 -7.015 3.802 49 HA LEU 9 HA LEU 9 -15.481 -7.572 1.549 50 HB2 LEU 9 1HB LEU 9 -15.157 -5.323 0.699 51 HB3 LEU 9 2HB LEU 9 -15.921 -5.283 2.267 52 HG LEU 9 HG LEU 9 -12.920 -4.971 2.160 53 HD11 LEU 9 1HD1 LEU 9 -14.926 -2.888 1.282 54 HD12 LEU 9 2HD1 LEU 9 -13.482 -3.466 0.421 55 HD13 LEU 9 3HD1 LEU 9 -13.317 -2.475 1.891 56 HD21 LEU 9 3HD2 LEU 9 -13.135 -3.798 4.122 57 HD22 LEU 9 1HD2 LEU 9 -14.494 -4.923 4.295 58 HD23 LEU 9 2HD2 LEU 9 -14.794 -3.264 3.769 59 H ARG 10 H ARG 10 -14.354 -6.790 -0.496 60 HA ARG 10 HA ARG 10 -11.697 -8.198 -0.723 61 HB2 ARG 10 1HB ARG 10 -14.216 -8.443 -2.234 62 HB3 ARG 10 2HB ARG 10 -12.856 -8.146 -3.301 63 HG2 ARG 10 1HG ARG 10 -12.708 -10.262 -1.124 64 HG3 ARG 10 2HG ARG 10 -13.456 -10.606 -2.681 65 HD2 ARG 10 1HD ARG 10 -10.631 -9.499 -2.448 66 HD3 ARG 10 2HD ARG 10 -10.987 -11.233 -2.446 67 HE ARG 10 HE ARG 10 -12.295 -10.464 -4.690 68 HH11 ARG 10 1HH1 ARG 10 -8.986 -9.865 -3.756 69 HH12 ARG 10 2HH1 ARG 10 -8.461 -9.659 -5.402 70 HH21 ARG 10 1HH2 ARG 10 -11.552 -10.333 -6.764 71 HH22 ARG 10 2HH2 ARG 10 -9.866 -10.032 -7.058 72 H GLU 11 H GLU 11 -13.486 -5.700 -2.476 73 HA GLU 11 HA GLU 11 -11.293 -3.783 -2.376 74 HB2 GLU 11 1HB GLU 11 -11.371 -5.705 -4.588 75 HB3 GLU 11 2HB GLU 11 -11.489 -4.055 -5.179 76 HG2 GLU 11 1HG GLU 11 -9.399 -3.454 -4.471 77 HG3 GLU 11 2HG GLU 11 -9.337 -4.611 -3.150 78 H ILE 12 H ILE 12 -14.368 -4.760 -3.830 79 HA ILE 12 HA ILE 12 -15.203 -2.334 -4.920 80 HB ILE 12 HB ILE 12 -16.345 -4.344 -5.403 81 HG12 ILE 12 1HG1 ILE 12 -18.677 -3.685 -5.217 82 HG13 ILE 12 2HG1 ILE 12 -18.312 -2.534 -3.936 83 HG21 ILE 12 1HG2 ILE 12 -17.069 -5.895 -3.960 84 HG22 ILE 12 2HG2 ILE 12 -16.281 -4.986 -2.661 85 HG23 ILE 12 3HG2 ILE 12 -17.984 -4.719 -3.001 86 HD11 ILE 12 3HD1 ILE 12 -18.650 -1.506 -6.204 87 HD12 ILE 12 1HD1 ILE 12 -17.093 -1.098 -5.476 88 HD13 ILE 12 2HD1 ILE 12 -17.177 -2.329 -6.760 89 H ILE 13 H ILE 13 -15.122 -0.471 -4.012 90 HA ILE 13 HA ILE 13 -16.624 0.120 -1.535 91 HB ILE 13 HB ILE 13 -14.764 1.544 -0.747 92 HG12 ILE 13 1HG1 ILE 13 -12.400 0.589 -1.504 93 HG13 ILE 13 2HG1 ILE 13 -13.214 0.383 -3.046 94 HG21 ILE 13 1HG2 ILE 13 -13.889 -1.323 -0.817 95 HG22 ILE 13 2HG2 ILE 13 -13.759 -0.118 0.495 96 HG23 ILE 13 3HG2 ILE 13 -15.327 -0.776 0.076 97 HD11 ILE 13 3HD1 ILE 13 -12.026 2.502 -2.934 98 HD12 ILE 13 1HD1 ILE 13 -13.767 2.809 -3.059 99 HD13 ILE 13 2HD1 ILE 13 -12.924 2.975 -1.492 100 H SER 14 H SER 14 -16.392 2.574 -1.128 101 HA SER 14 HA SER 14 -16.930 4.115 -3.630 102 HB2 SER 14 1HB SER 14 -18.671 5.326 -2.490 103 HB3 SER 14 2HB SER 14 -19.029 3.600 -2.356 104 HG SER 14 HG SER 14 -18.148 3.651 -0.235 105 H GLU 15 H GLU 15 -16.864 6.575 -2.968 106 HA GLU 15 HA GLU 15 -14.251 7.340 -2.267 107 HB2 GLU 15 1HB GLU 15 -15.747 8.716 -3.529 108 HB3 GLU 15 2HB GLU 15 -16.911 8.805 -2.219 109 HG2 GLU 15 1HG GLU 15 -14.176 9.876 -1.605 110 HG3 GLU 15 2HG GLU 15 -15.074 10.728 -2.845 111 H GLU 16 H GLU 16 -16.894 6.609 -0.079 112 HA GLU 16 HA GLU 16 -15.984 7.913 2.277 113 HB2 GLU 16 1HB GLU 16 -17.429 5.241 2.079 114 HB3 GLU 16 2HB GLU 16 -17.338 6.295 3.486 115 HG2 GLU 16 1HG GLU 16 -18.378 7.908 1.351 116 HG3 GLU 16 2HG GLU 16 -19.182 6.355 1.225 117 H ASP 17 H ASP 17 -15.372 4.478 1.299 118 HA ASP 17 HA ASP 17 -13.501 3.900 3.373 119 HB2 ASP 17 1HB ASP 17 -13.632 2.669 0.627 120 HB3 ASP 17 2HB ASP 17 -13.054 1.920 2.093 121 H VAL 18 H VAL 18 -13.097 5.328 0.125 122 HA VAL 18 HA VAL 18 -10.242 5.186 0.004 123 HB VAL 18 HB VAL 18 -12.025 7.265 -1.277 124 HG11 VAL 18 1HG1 VAL 18 -9.891 7.239 -2.885 125 HG12 VAL 18 2HG1 VAL 18 -9.992 8.292 -1.465 126 HG13 VAL 18 3HG1 VAL 18 -9.067 6.793 -1.398 127 HG21 VAL 18 3HG2 VAL 18 -12.667 5.218 -2.196 128 HG22 VAL 18 1HG2 VAL 18 -11.454 5.769 -3.337 129 HG23 VAL 18 2HG2 VAL 18 -11.038 4.537 -2.131 130 H LYS 19 H LYS 19 -12.385 7.528 1.631 131 HA LYS 19 HA LYS 19 -10.169 9.266 2.462 132 HB2 LYS 19 1HB LYS 19 -13.012 8.983 3.520 133 HB3 LYS 19 2HB LYS 19 -11.889 10.231 4.029 134 HG2 LYS 19 1HG LYS 19 -12.897 9.827 1.175 135 HG3 LYS 19 2HG LYS 19 -13.526 10.999 2.318 136 HD2 LYS 19 1HD LYS 19 -10.720 10.983 1.114 137 HD3 LYS 19 2HD LYS 19 -12.067 12.039 0.681 138 HE2 LYS 19 1HE LYS 19 -12.108 12.775 3.150 139 HE3 LYS 19 2HE LYS 19 -10.551 11.951 3.321 140 HZ1 LYS 19 3HZ LYS 19 -11.131 14.190 1.451 141 HZ2 LYS 19 1HZ LYS 19 -9.691 13.419 1.546 142 HZ3 LYS 19 2HZ LYS 19 -10.239 14.295 2.811 143 H GLN 20 H GLN 20 -11.643 6.400 3.847 144 HA GLN 20 HA GLN 20 -10.291 6.668 6.432 145 HB2 GLN 20 1HB GLN 20 -12.367 5.540 6.396 146 HB3 GLN 20 2HB GLN 20 -11.844 4.384 5.167 147 HG2 GLN 20 1HG GLN 20 -10.353 3.273 6.648 148 HG3 GLN 20 2HG GLN 20 -10.369 4.602 7.818 149 HE21 GLN 20 2HE2 GLN 20 -10.887 1.741 8.358 150 HE22 GLN 20 1HE2 GLN 20 -12.506 1.745 9.049 151 H VAL 21 H VAL 21 -9.747 4.504 3.599 152 HA VAL 21 HA VAL 21 -7.435 3.195 4.573 153 HB VAL 21 HB VAL 21 -8.705 2.481 2.623 154 HG11 VAL 21 1HG1 VAL 21 -7.288 4.491 0.903 155 HG12 VAL 21 2HG1 VAL 21 -8.765 3.497 0.617 156 HG13 VAL 21 3HG1 VAL 21 -8.823 4.879 1.682 157 HG21 VAL 21 3HG2 VAL 21 -6.391 1.642 2.934 158 HG22 VAL 21 1HG2 VAL 21 -6.873 1.733 1.227 159 HG23 VAL 21 2HG2 VAL 21 -5.791 2.961 1.912 160 H TYR 22 H TYR 22 -7.621 6.333 2.883 161 HA TYR 22 HA TYR 22 -4.845 6.836 2.750 162 HB2 TYR 22 1HB TYR 22 -7.300 8.477 2.600 163 HB3 TYR 22 2HB TYR 22 -5.847 9.326 3.096 164 HD1 TYR 22 HD1 TYR 22 -7.102 7.018 0.413 165 HD2 TYR 22 HD2 TYR 22 -4.173 9.957 1.569 166 HE1 TYR 22 HE1 TYR 22 -6.467 7.333 -1.982 167 HE2 TYR 22 HE2 TYR 22 -3.472 10.187 -0.793 168 HH TYR 22 HH TYR 22 -4.124 9.799 -2.976 169 H SER 23 H SER 23 -6.986 6.995 5.520 170 HA SER 23 HA SER 23 -5.111 8.451 7.234 171 HB2 SER 23 1HB SER 23 -7.815 8.191 7.260 172 HB3 SER 23 2HB SER 23 -7.390 6.899 8.390 173 HG SER 23 HG SER 23 -6.758 9.680 8.517 174 H ILE 24 H ILE 24 -5.722 5.103 6.406 175 HA ILE 24 HA ILE 24 -4.546 3.884 8.770 176 HB ILE 24 HB ILE 24 -4.887 2.675 5.991 177 HG12 ILE 24 1HG1 ILE 24 -6.753 2.573 8.413 178 HG13 ILE 24 2HG1 ILE 24 -7.045 3.461 6.921 179 HG21 ILE 24 1HG2 ILE 24 -4.766 0.527 7.193 180 HG22 ILE 24 2HG2 ILE 24 -3.287 1.442 7.431 181 HG23 ILE 24 3HG2 ILE 24 -4.500 1.372 8.727 182 HD11 ILE 24 3HD1 ILE 24 -6.898 1.243 5.676 183 HD12 ILE 24 1HD1 ILE 24 -7.019 0.462 7.268 184 HD13 ILE 24 2HD1 ILE 24 -8.324 1.519 6.707 185 H LEU 25 H LEU 25 -3.294 4.411 5.414 186 HA LEU 25 HA LEU 25 -0.600 3.729 6.295 187 HB2 LEU 25 1HB LEU 25 -0.142 4.578 3.873 188 HB3 LEU 25 2HB LEU 25 -0.715 2.970 4.167 189 HG LEU 25 HG LEU 25 -2.966 3.588 3.448 190 HD11 LEU 25 1HD1 LEU 25 -1.727 6.345 3.315 191 HD12 LEU 25 2HD1 LEU 25 -3.255 5.831 3.990 192 HD13 LEU 25 3HD1 LEU 25 -3.040 5.905 2.224 193 HD21 LEU 25 3HD2 LEU 25 -0.748 4.456 1.545 194 HD22 LEU 25 1HD2 LEU 25 -2.404 4.014 1.084 195 HD23 LEU 25 2HD2 LEU 25 -1.331 2.802 1.805 196 H LYS 26 H LYS 26 -2.334 6.617 6.471 197 HA LYS 26 HA LYS 26 -0.369 8.576 5.965 198 HB2 LYS 26 1HB LYS 26 -2.984 8.552 6.969 199 HB3 LYS 26 2HB LYS 26 -2.074 9.109 8.342 200 HG2 LYS 26 1HG LYS 26 -2.768 11.044 7.131 201 HG3 LYS 26 2HG LYS 26 -1.030 10.870 6.861 202 HD2 LYS 26 1HD LYS 26 -1.809 9.568 4.664 203 HD3 LYS 26 2HD LYS 26 -3.339 10.394 4.930 204 HE2 LYS 26 1HE LYS 26 -0.638 11.807 4.782 205 HE3 LYS 26 2HE LYS 26 -1.652 11.510 3.366 206 HZ1 LYS 26 3HZ LYS 26 -3.401 12.840 4.375 207 HZ2 LYS 26 1HZ LYS 26 -2.032 13.725 4.312 208 HZ3 LYS 26 2HZ LYS 26 -2.520 13.087 5.732 209 H GLU 27 H GLU 27 -0.470 6.404 8.639 210 HA GLU 27 HA GLU 27 1.293 7.917 10.387 211 HB2 GLU 27 1HB GLU 27 -0.379 6.205 11.114 212 HB3 GLU 27 2HB GLU 27 0.634 4.939 10.415 213 HG2 GLU 27 1HG GLU 27 2.270 5.157 12.070 214 HG3 GLU 27 2HG GLU 27 1.936 6.865 12.330 215 H LYS 28 H LYS 28 3.452 7.637 10.805 216 HA LYS 28 HA LYS 28 5.088 6.269 8.716 217 HB2 LYS 28 1HB LYS 28 5.671 8.666 10.469 218 HB3 LYS 28 2HB LYS 28 6.850 7.909 9.401 219 HG2 LYS 28 1HG LYS 28 4.179 9.029 8.424 220 HG3 LYS 28 2HG LYS 28 5.660 9.973 8.481 221 HD2 LYS 28 1HD LYS 28 5.300 7.413 6.844 222 HD3 LYS 28 2HD LYS 28 5.157 9.048 6.233 223 HE2 LYS 28 1HE LYS 28 7.327 9.334 6.008 224 HE3 LYS 28 2HE LYS 28 7.661 8.905 7.676 225 HZ1 LYS 28 3HZ LYS 28 8.361 6.862 7.016 226 HZ2 LYS 28 1HZ LYS 28 8.423 7.500 5.501 227 HZ3 LYS 28 2HZ LYS 28 7.122 6.645 5.945 228 H ASP 29 H ASP 29 4.214 5.840 11.861 229 HA ASP 29 HA ASP 29 6.736 4.683 12.861 230 HB2 ASP 29 1HB ASP 29 4.008 4.915 14.181 231 HB3 ASP 29 2HB ASP 29 5.542 4.547 14.974 232 H ILE 30 H ILE 30 4.596 3.489 10.810 233 HA ILE 30 HA ILE 30 3.860 0.913 11.888 234 HB ILE 30 HB ILE 30 2.986 0.446 9.672 235 HG12 ILE 30 1HG1 ILE 30 3.131 2.512 8.012 236 HG13 ILE 30 2HG1 ILE 30 4.602 2.858 8.886 237 HG21 ILE 30 1HG2 ILE 30 2.384 3.258 10.681 238 HG22 ILE 30 2HG2 ILE 30 1.428 2.415 9.477 239 HG23 ILE 30 3HG2 ILE 30 1.563 1.741 11.107 240 HD11 ILE 30 3HD1 ILE 30 3.984 0.174 7.579 241 HD12 ILE 30 1HD1 ILE 30 4.809 1.458 6.738 242 HD13 ILE 30 2HD1 ILE 30 5.583 0.722 8.120 243 H SER 31 H SER 31 6.854 1.985 10.841 244 HA SER 31 HA SER 31 7.869 0.179 9.025 245 HB2 SER 31 1HB SER 31 10.111 0.751 9.884 246 HB3 SER 31 2HB SER 31 9.067 2.143 9.583 247 HG SER 31 HG SER 31 10.038 1.137 12.007 248 H VAL 32 H VAL 32 7.715 -1.935 9.024 249 HA VAL 32 HA VAL 32 7.597 -3.562 11.385 250 HB VAL 32 HB VAL 32 7.930 -4.373 8.456 251 HG11 VAL 32 1HG1 VAL 32 7.172 -6.562 9.150 252 HG12 VAL 32 2HG1 VAL 32 8.674 -6.188 9.970 253 HG13 VAL 32 3HG1 VAL 32 7.138 -6.055 10.864 254 HG21 VAL 32 3HG2 VAL 32 5.399 -5.035 9.141 255 HG22 VAL 32 1HG2 VAL 32 5.601 -3.620 10.173 256 HG23 VAL 32 2HG2 VAL 32 5.844 -3.482 8.425 257 H ASP 33 H ASP 33 9.104 -4.667 12.495 258 HA ASP 33 HA ASP 33 11.889 -4.076 12.398 259 HB2 ASP 33 1HB ASP 33 10.173 -6.194 13.717 260 HB3 ASP 33 2HB ASP 33 11.920 -6.343 13.774 261 H SER 34 H SER 34 13.698 -5.179 11.521 262 HA SER 34 HA SER 34 13.385 -6.588 9.110 263 HB2 SER 34 1HB SER 34 15.721 -6.281 11.002 264 HB3 SER 34 2HB SER 34 15.860 -7.268 9.538 265 HG SER 34 HG SER 34 15.373 -5.499 8.280 266 H THR 35 H THR 35 14.070 -8.061 12.325 267 HA THR 35 HA THR 35 14.310 -10.760 11.436 268 HB THR 35 HB THR 35 13.250 -9.677 14.076 269 HG1 THR 35 HG1 THR 35 15.428 -10.147 14.687 270 HG21 THR 35 3HG2 THR 35 14.015 -11.855 15.026 271 HG22 THR 35 1HG2 THR 35 14.299 -12.458 13.376 272 HG23 THR 35 2HG2 THR 35 12.654 -12.051 13.920 273 H THR 36 H THR 36 11.426 -8.872 12.290 274 HA THR 36 HA THR 36 9.585 -11.092 11.754 275 HB THR 36 HB THR 36 9.051 -8.158 12.345 276 HG1 THR 36 HG1 THR 36 8.585 -9.051 14.415 277 HG21 THR 36 3HG2 THR 36 7.094 -9.085 11.342 278 HG22 THR 36 1HG2 THR 36 6.811 -9.120 13.096 279 HG23 THR 36 2HG2 THR 36 7.246 -10.614 12.237 280 H TRP 37 H TRP 37 10.867 -8.359 9.905 281 HA TRP 37 HA TRP 37 8.974 -8.087 7.936 282 HB2 TRP 37 1HB TRP 37 10.792 -6.546 8.020 283 HB3 TRP 37 2HB TRP 37 11.977 -7.824 7.756 284 HD1 TRP 37 HD1 TRP 37 13.060 -7.172 5.536 285 HE1 TRP 37 HE1 TRP 37 12.238 -6.895 3.106 286 HE3 TRP 37 HE3 TRP 37 8.018 -7.216 6.360 287 HZ2 TRP 37 HZ2 TRP 37 9.684 -6.896 1.700 288 HZ3 TRP 37 HZ3 TRP 37 6.439 -7.254 4.485 289 HH2 TRP 37 HH2 TRP 37 7.240 -7.112 2.148 290 H ASN 38 H ASN 38 11.687 -10.371 7.851 291 HA ASN 38 HA ASN 38 11.244 -11.570 5.360 292 HB2 ASN 38 1HB ASN 38 13.083 -11.878 7.238 293 HB3 ASN 38 2HB ASN 38 12.059 -13.196 7.794 294 HD21 ASN 38 2HD2 ASN 38 14.656 -12.435 5.816 295 HD22 ASN 38 1HD2 ASN 38 14.553 -13.827 4.745 296 H ARG 39 H ARG 39 9.510 -12.090 8.351 297 HA ARG 39 HA ARG 39 7.825 -14.316 7.372 298 HB2 ARG 39 1HB ARG 39 7.307 -12.780 9.923 299 HB3 ARG 39 2HB ARG 39 6.972 -14.457 9.544 300 HG2 ARG 39 1HG ARG 39 9.631 -13.169 10.254 301 HG3 ARG 39 2HG ARG 39 8.743 -14.372 11.169 302 HD2 ARG 39 1HD ARG 39 10.163 -14.839 8.506 303 HD3 ARG 39 2HD ARG 39 10.746 -15.302 10.104 304 HE ARG 39 HE ARG 39 8.175 -16.476 9.716 305 HH11 ARG 39 1HH1 ARG 39 11.422 -16.851 8.471 306 HH12 ARG 39 2HH1 ARG 39 11.196 -18.541 8.116 307 HH21 ARG 39 1HH2 ARG 39 7.936 -18.628 9.230 308 HH22 ARG 39 2HH2 ARG 39 9.263 -19.513 8.538 309 H ARG 40 H ARG 40 7.467 -10.879 8.133 310 HA ARG 40 HA ARG 40 4.725 -10.539 7.544 311 HB2 ARG 40 1HB ARG 40 6.924 -8.780 8.094 312 HB3 ARG 40 2HB ARG 40 6.126 -8.218 6.625 313 HG2 ARG 40 1HG ARG 40 4.961 -7.109 8.231 314 HG3 ARG 40 2HG ARG 40 3.904 -8.496 7.912 315 HD2 ARG 40 1HD ARG 40 5.419 -9.509 9.909 316 HD3 ARG 40 2HD ARG 40 5.605 -7.767 10.248 317 HE ARG 40 HE ARG 40 2.860 -8.869 9.919 318 HH11 ARG 40 1HH1 ARG 40 5.227 -7.743 12.252 319 HH12 ARG 40 2HH1 ARG 40 4.098 -7.850 13.572 320 HH21 ARG 40 1HH2 ARG 40 1.508 -8.939 11.574 321 HH22 ARG 40 2HH2 ARG 40 2.005 -8.489 13.189 322 H TYR 41 H TYR 41 7.448 -10.696 5.331 323 HA TYR 41 HA TYR 41 6.249 -9.888 2.943 324 HB2 TYR 41 1HB TYR 41 8.669 -10.804 3.524 325 HB3 TYR 41 2HB TYR 41 8.024 -12.333 2.947 326 HD1 TYR 41 HD1 TYR 41 6.680 -12.098 0.561 327 HD2 TYR 41 HD2 TYR 41 9.769 -9.459 2.007 328 HE1 TYR 41 HE1 TYR 41 6.948 -11.177 -1.715 329 HE2 TYR 41 HE2 TYR 41 10.046 -8.532 -0.306 330 HH TYR 41 HH TYR 41 8.169 -9.794 -3.054 331 H ARG 42 H ARG 42 5.952 -13.002 4.589 332 HA ARG 42 HA ARG 42 4.485 -14.402 2.517 333 HB2 ARG 42 1HB ARG 42 4.533 -15.021 5.500 334 HB3 ARG 42 2HB ARG 42 4.054 -16.111 4.210 335 HG2 ARG 42 1HG ARG 42 6.856 -14.953 4.562 336 HG3 ARG 42 2HG ARG 42 6.351 -16.530 5.134 337 HD2 ARG 42 1HD ARG 42 6.122 -15.779 2.190 338 HD3 ARG 42 2HD ARG 42 7.628 -16.365 2.901 339 HE ARG 42 HE ARG 42 5.392 -18.112 3.531 340 HH11 ARG 42 1HH1 ARG 42 7.683 -17.438 0.985 341 HH12 ARG 42 2HH1 ARG 42 7.703 -19.090 0.428 342 HH21 ARG 42 1HH2 ARG 42 5.456 -20.206 2.789 343 HH22 ARG 42 2HH2 ARG 42 6.459 -20.607 1.428 344 H GLU 43 H GLU 43 3.277 -13.070 5.614 345 HA GLU 43 HA GLU 43 0.499 -13.428 5.041 346 HB2 GLU 43 1HB GLU 43 0.068 -11.575 6.669 347 HB3 GLU 43 2HB GLU 43 1.062 -12.906 7.269 348 HG2 GLU 43 1HG GLU 43 3.080 -11.507 6.802 349 HG3 GLU 43 2HG GLU 43 2.017 -10.136 6.463 350 H TYR 44 H TYR 44 2.508 -10.499 4.396 351 HA TYR 44 HA TYR 44 0.478 -9.061 3.036 352 HB2 TYR 44 1HB TYR 44 3.485 -8.984 2.822 353 HB3 TYR 44 2HB TYR 44 2.423 -7.800 2.103 354 HD1 TYR 44 HD2 TYR 44 0.567 -8.199 4.935 355 HD2 TYR 44 HD1 TYR 44 4.522 -6.924 3.785 356 HE1 TYR 44 HE2 TYR 44 0.780 -6.979 7.068 357 HE2 TYR 44 HE1 TYR 44 4.778 -5.763 6.020 358 HH TYR 44 HH TYR 44 3.586 -5.038 7.933 359 H MET 45 H MET 45 2.782 -11.440 1.666 360 HA MET 45 HA MET 45 2.111 -11.105 -1.051 361 HB2 MET 45 1HB MET 45 3.364 -13.246 0.583 362 HB3 MET 45 2HB MET 45 2.432 -13.876 -0.756 363 HG2 MET 45 1HG MET 45 3.659 -12.139 -2.214 364 HG3 MET 45 2HG MET 45 4.796 -12.012 -0.870 365 HE1 MET 45 3HE MET 45 6.742 -13.620 -3.435 366 HE2 MET 45 1HE MET 45 5.292 -14.110 -4.337 367 HE3 MET 45 2HE MET 45 5.391 -12.481 -3.639 368 H GLU 46 H GLU 46 0.272 -12.754 1.478 369 HA GLU 46 HA GLU 46 -1.683 -13.934 -0.376 370 HB2 GLU 46 1HB GLU 46 -1.945 -13.593 2.625 371 HB3 GLU 46 2HB GLU 46 -2.866 -14.665 1.550 372 HG2 GLU 46 1HG GLU 46 -0.803 -15.891 0.982 373 HG3 GLU 46 2HG GLU 46 0.123 -14.854 2.045 374 H LYS 47 H LYS 47 -1.537 -11.126 1.809 375 HA LYS 47 HA LYS 47 -4.158 -10.167 1.446 376 HB2 LYS 47 1HB LYS 47 -1.547 -8.850 2.152 377 HB3 LYS 47 2HB LYS 47 -2.853 -7.810 1.629 378 HG2 LYS 47 1HG LYS 47 -2.913 -7.798 3.925 379 HG3 LYS 47 2HG LYS 47 -4.332 -8.701 3.383 380 HD2 LYS 47 1HD LYS 47 -3.429 -10.763 4.215 381 HD3 LYS 47 2HD LYS 47 -1.787 -10.110 4.156 382 HE2 LYS 47 1HE LYS 47 -1.948 -9.911 6.345 383 HE3 LYS 47 2HE LYS 47 -2.708 -8.379 5.933 384 HZ1 LYS 47 3HZ LYS 47 -4.848 -9.302 6.321 385 HZ2 LYS 47 1HZ LYS 47 -3.953 -9.776 7.586 386 HZ3 LYS 47 2HZ LYS 47 -4.294 -10.858 6.408 387 H ILE 48 H ILE 48 -1.672 -10.202 -0.926 388 HA ILE 48 HA ILE 48 -2.613 -8.096 -2.640 389 HB ILE 48 HB ILE 48 -1.134 -10.554 -3.587 390 HG12 ILE 48 1HG1 ILE 48 0.154 -9.961 -1.715 391 HG13 ILE 48 2HG1 ILE 48 0.976 -9.268 -3.096 392 HG21 ILE 48 1HG2 ILE 48 -0.065 -8.958 -5.102 393 HG22 ILE 48 2HG2 ILE 48 -1.809 -9.000 -5.358 394 HG23 ILE 48 3HG2 ILE 48 -1.073 -7.644 -4.472 395 HD11 ILE 48 3HD1 ILE 48 -0.696 -7.765 -1.022 396 HD12 ILE 48 1HD1 ILE 48 1.034 -7.610 -1.424 397 HD13 ILE 48 2HD1 ILE 48 -0.197 -7.029 -2.548 398 H LYS 49 H LYS 49 -3.669 -11.366 -2.193 399 HA LYS 49 HA LYS 49 -5.683 -11.099 -4.413 400 HB2 LYS 49 1HB LYS 49 -5.400 -13.335 -5.003 401 HB3 LYS 49 2HB LYS 49 -3.766 -12.744 -4.729 402 HG2 LYS 49 1HG LYS 49 -4.278 -13.719 -2.247 403 HG3 LYS 49 2HG LYS 49 -5.415 -14.708 -3.155 404 HD2 LYS 49 1HD LYS 49 -3.480 -16.020 -3.060 405 HD3 LYS 49 2HD LYS 49 -3.338 -15.270 -4.658 406 HE2 LYS 49 1HE LYS 49 -2.194 -13.428 -2.782 407 HE3 LYS 49 2HE LYS 49 -1.656 -15.006 -2.233 408 HZ1 LYS 49 3HZ LYS 49 -0.601 -15.382 -4.330 409 HZ2 LYS 49 1HZ LYS 49 -0.189 -13.859 -3.898 410 HZ3 LYS 49 2HZ LYS 49 -1.326 -14.104 -5.047 411 H THR 50 H THR 50 -5.185 -11.973 -1.067 412 HA THR 50 HA THR 50 -8.103 -12.651 -0.757 413 HB THR 50 HB THR 50 -7.629 -13.814 1.202 414 HG1 THR 50 HG1 THR 50 -6.250 -12.818 2.438 415 HG21 THR 50 3HG2 THR 50 -6.699 -14.919 -0.925 416 HG22 THR 50 1HG2 THR 50 -6.087 -15.510 0.638 417 HG23 THR 50 2HG2 THR 50 -5.093 -14.408 -0.324 418 H GLY 51 H GLY 51 -5.715 -10.303 0.065 419 HA2 GLY 51 1HA GLY 51 -7.018 -9.223 2.398 420 HA3 GLY 51 2HA GLY 51 -5.678 -8.481 1.516 421 H SER 52 H SER 52 -7.780 -7.125 2.601 422 HA SER 52 HA SER 52 -9.684 -6.426 0.491 423 HB2 SER 52 1HB SER 52 -10.985 -5.701 2.134 424 HB3 SER 52 2HB SER 52 -9.920 -6.686 3.149 425 HG SER 52 HG SER 52 -10.264 -4.535 3.941 426 H VAL 53 H VAL 53 -10.173 -3.918 0.408 427 HA VAL 53 HA VAL 53 -8.086 -2.508 -0.874 428 HB VAL 53 HB VAL 53 -10.309 -1.785 -1.243 429 HG11 VAL 53 1HG1 VAL 53 -10.588 -0.991 1.685 430 HG12 VAL 53 2HG1 VAL 53 -11.791 -0.905 0.402 431 HG13 VAL 53 3HG1 VAL 53 -11.258 -2.479 0.989 432 HG21 VAL 53 3HG2 VAL 53 -8.456 0.077 -0.900 433 HG22 VAL 53 1HG2 VAL 53 -10.156 0.546 -1.089 434 HG23 VAL 53 2HG2 VAL 53 -9.393 0.520 0.509 435 H PHE 54 H PHE 54 -9.127 -2.383 2.491 436 HA PHE 54 HA PHE 54 -7.338 -0.312 3.361 437 HB2 PHE 54 1HB PHE 54 -8.731 -2.562 4.856 438 HB3 PHE 54 2HB PHE 54 -7.948 -1.187 5.619 439 HD1 PHE 54 HD2 PHE 54 -8.784 1.203 4.456 440 HD2 PHE 54 HD1 PHE 54 -11.087 -2.420 4.713 441 HE1 PHE 54 HE2 PHE 54 -10.842 2.518 4.316 442 HE2 PHE 54 HE1 PHE 54 -13.180 -1.083 4.637 443 HZ PHE 54 HZ PHE 54 -13.068 1.398 4.441 444 H GLU 55 H GLU 55 -7.081 -3.826 3.135 445 HA GLU 55 HA GLU 55 -4.489 -3.986 4.428 446 HB2 GLU 55 1HB GLU 55 -5.809 -6.054 2.648 447 HB3 GLU 55 2HB GLU 55 -4.445 -6.248 3.745 448 HG2 GLU 55 1HG GLU 55 -6.170 -5.275 5.554 449 HG3 GLU 55 2HG GLU 55 -7.358 -5.897 4.394 450 H ILE 56 H ILE 56 -5.392 -4.231 0.899 451 HA ILE 56 HA ILE 56 -2.860 -4.475 -0.219 452 HB ILE 56 HB ILE 56 -5.279 -2.907 -1.101 453 HG12 ILE 56 1HG1 ILE 56 -5.437 -5.391 -0.965 454 HG13 ILE 56 2HG1 ILE 56 -5.736 -4.717 -2.564 455 HG21 ILE 56 1HG2 ILE 56 -4.291 -2.838 -3.384 456 HG22 ILE 56 2HG2 ILE 56 -3.490 -1.777 -2.254 457 HG23 ILE 56 3HG2 ILE 56 -2.712 -3.306 -2.694 458 HD11 ILE 56 3HD1 ILE 56 -3.181 -6.085 -1.633 459 HD12 ILE 56 1HD1 ILE 56 -4.429 -6.749 -2.711 460 HD13 ILE 56 2HD1 ILE 56 -3.435 -5.384 -3.244 461 H ALA 57 H ALA 57 -4.466 -1.382 0.629 462 HA ALA 57 HA ALA 57 -2.229 0.241 -0.020 463 HB1 ALA 57 3HB ALA 57 -3.443 1.992 0.973 464 HB2 ALA 57 1HB ALA 57 -4.695 0.869 0.458 465 HB3 ALA 57 2HB ALA 57 -4.201 0.919 2.172 466 H GLU 58 H GLU 58 -3.012 -1.398 3.092 467 HA GLU 58 HA GLU 58 -0.777 -0.326 4.563 468 HB2 GLU 58 1HB GLU 58 -2.613 -2.705 4.898 469 HB3 GLU 58 2HB GLU 58 -1.150 -2.575 5.868 470 HG2 GLU 58 1HG GLU 58 -1.850 -0.285 6.552 471 HG3 GLU 58 2HG GLU 58 -3.364 -0.508 5.696 472 H VAL 59 H VAL 59 -1.136 -3.238 2.535 473 HA VAL 59 HA VAL 59 1.323 -4.486 3.107 474 HB VAL 59 HB VAL 59 -0.217 -4.456 0.479 475 HG11 VAL 59 1HG1 VAL 59 2.305 -5.787 1.323 476 HG12 VAL 59 2HG1 VAL 59 1.125 -6.811 0.518 477 HG13 VAL 59 3HG1 VAL 59 1.726 -5.351 -0.295 478 HG21 VAL 59 3HG2 VAL 59 -0.215 -6.868 2.231 479 HG22 VAL 59 1HG2 VAL 59 -1.135 -5.508 2.832 480 HG23 VAL 59 2HG2 VAL 59 -1.483 -6.138 1.214 481 H LEU 60 H LEU 60 0.692 -2.406 0.233 482 HA LEU 60 HA LEU 60 3.445 -2.194 -0.476 483 HB2 LEU 60 1HB LEU 60 2.588 -1.355 -2.256 484 HB3 LEU 60 2HB LEU 60 0.994 -1.364 -1.567 485 HG LEU 60 HG LEU 60 2.887 1.016 -1.277 486 HD11 LEU 60 1HD1 LEU 60 0.690 0.611 -3.309 487 HD12 LEU 60 2HD1 LEU 60 2.416 0.360 -3.619 488 HD13 LEU 60 3HD1 LEU 60 1.860 1.963 -3.172 489 HD21 LEU 60 3HD2 LEU 60 1.125 1.299 0.299 490 HD22 LEU 60 1HD2 LEU 60 -0.052 0.509 -0.742 491 HD23 LEU 60 2HD2 LEU 60 0.540 2.150 -1.096 492 H ARG 61 H ARG 61 1.587 -0.309 1.819 493 HA ARG 61 HA ARG 61 3.447 1.817 2.320 494 HB2 ARG 61 1HB ARG 61 1.167 2.007 3.072 495 HB3 ARG 61 2HB ARG 61 1.244 0.513 3.931 496 HG2 ARG 61 1HG ARG 61 3.138 1.786 5.360 497 HG3 ARG 61 2HG ARG 61 2.233 3.178 4.810 498 HD2 ARG 61 1HD ARG 61 1.250 2.626 6.822 499 HD3 ARG 61 2HD ARG 61 0.162 1.848 5.654 500 HE ARG 61 HE ARG 61 2.054 -0.114 6.365 501 HH11 ARG 61 1HH1 ARG 61 -0.510 1.637 8.029 502 HH12 ARG 61 2HH1 ARG 61 -0.775 0.299 9.110 503 HH21 ARG 61 1HH2 ARG 61 1.815 -1.615 7.921 504 HH22 ARG 61 2HH2 ARG 61 0.484 -1.480 9.053 505 H ASP 62 H ASP 62 3.010 -1.312 4.036 506 HA ASP 62 HA ASP 62 5.160 -1.008 5.857 507 HB2 ASP 62 1HB ASP 62 4.114 -3.566 4.579 508 HB3 ASP 62 2HB ASP 62 5.220 -3.488 5.945 509 H LEU 63 H LEU 63 5.250 -2.483 2.573 510 HA LEU 63 HA LEU 63 8.077 -2.883 2.487 511 HB2 LEU 63 1HB LEU 63 6.009 -2.541 0.280 512 HB3 LEU 63 2HB LEU 63 7.728 -2.763 -0.020 513 HG LEU 63 HG LEU 63 7.518 -4.830 1.577 514 HD11 LEU 63 1HD1 LEU 63 5.193 -4.566 2.289 515 HD12 LEU 63 2HD1 LEU 63 5.341 -6.026 1.323 516 HD13 LEU 63 3HD1 LEU 63 4.652 -4.572 0.590 517 HD21 LEU 63 3HD2 LEU 63 6.208 -5.707 -0.877 518 HD22 LEU 63 1HD2 LEU 63 7.847 -6.008 -0.275 519 HD23 LEU 63 2HD2 LEU 63 7.489 -4.552 -1.210 520 H TYR 64 H TYR 64 6.223 0.032 1.501 521 HA TYR 64 HA TYR 64 8.500 1.435 0.485 522 HB2 TYR 64 1HB TYR 64 5.697 2.076 1.172 523 HB3 TYR 64 2HB TYR 64 6.796 3.405 1.457 524 HD1 TYR 64 HD1 TYR 64 8.514 3.993 -0.394 525 HD2 TYR 64 HD2 TYR 64 4.944 1.691 -1.055 526 HE1 TYR 64 HE1 TYR 64 8.516 4.666 -2.791 527 HE2 TYR 64 HE2 TYR 64 4.966 2.323 -3.451 528 HH TYR 64 HH TYR 64 7.309 4.778 -4.685 529 H LEU 65 H LEU 65 7.010 1.587 3.741 530 HA LEU 65 HA LEU 65 9.038 3.414 4.762 531 HB2 LEU 65 1HB LEU 65 6.902 1.701 6.061 532 HB3 LEU 65 2HB LEU 65 8.107 2.571 6.996 533 HG LEU 65 HG LEU 65 7.340 4.685 5.588 534 HD11 LEU 65 1HD1 LEU 65 5.844 3.829 4.025 535 HD12 LEU 65 2HD1 LEU 65 4.866 4.655 5.257 536 HD13 LEU 65 3HD1 LEU 65 4.973 2.901 5.235 537 HD21 LEU 65 3HD2 LEU 65 6.493 3.483 8.109 538 HD22 LEU 65 1HD2 LEU 65 5.239 4.530 7.428 539 HD23 LEU 65 2HD2 LEU 65 6.886 5.136 7.726 540 H LEU 66 H LEU 66 8.848 -0.111 4.611 541 HA LEU 66 HA LEU 66 10.899 -0.793 6.432 542 HB2 LEU 66 1HB LEU 66 9.714 -2.003 3.951 543 HB3 LEU 66 2HB LEU 66 11.214 -2.685 4.544 544 HG LEU 66 HG LEU 66 8.905 -2.301 6.475 545 HD11 LEU 66 1HD1 LEU 66 7.947 -3.596 4.612 546 HD12 LEU 66 2HD1 LEU 66 8.247 -4.639 5.988 547 HD13 LEU 66 3HD1 LEU 66 9.359 -4.625 4.584 548 HD21 LEU 66 3HD2 LEU 66 11.121 -2.899 7.379 549 HD22 LEU 66 1HD2 LEU 66 11.241 -4.258 6.242 550 HD23 LEU 66 2HD2 LEU 66 10.020 -4.277 7.519 551 H LYS 67 H LYS 67 11.192 0.379 3.092 552 HA LYS 67 HA LYS 67 14.148 0.247 3.126 553 HB2 LYS 67 1HB LYS 67 12.574 0.026 1.070 554 HB3 LYS 67 2HB LYS 67 12.342 1.759 1.215 555 HG2 LYS 67 1HG LYS 67 13.982 1.732 -0.338 556 HG3 LYS 67 2HG LYS 67 14.993 1.891 1.067 557 HD2 LYS 67 1HD LYS 67 14.321 -0.864 -0.014 558 HD3 LYS 67 2HD LYS 67 15.506 0.113 -0.850 559 HE2 LYS 67 1HE LYS 67 15.728 -0.667 2.088 560 HE3 LYS 67 2HE LYS 67 16.414 -1.580 0.746 561 HZ1 LYS 67 3HZ LYS 67 18.111 -0.144 1.527 562 HZ2 LYS 67 1HZ LYS 67 17.156 1.182 1.519 563 HZ3 LYS 67 2HZ LYS 67 17.624 0.494 0.109 564 H GLY 68 H GLY 68 11.643 2.661 3.660 565 HA2 GLY 68 1HA GLY 68 11.715 4.778 4.630 566 HA3 GLY 68 2HA GLY 68 13.438 4.573 4.941 567 H ASP 69 H ASP 69 12.262 4.174 1.637 568 HA ASP 69 HA ASP 69 12.837 6.903 0.804 569 HB2 ASP 69 1HB ASP 69 15.076 5.310 1.036 570 HB3 ASP 69 2HB ASP 69 14.579 4.925 -0.606 571 H LYS 70 H LYS 70 12.749 7.024 -1.680 572 HA LYS 70 HA LYS 70 10.305 5.720 -2.625 573 HB2 LYS 70 1HB LYS 70 10.624 7.035 -4.672 574 HB3 LYS 70 2HB LYS 70 10.751 8.022 -3.224 575 HG2 LYS 70 1HG LYS 70 13.361 7.538 -3.501 576 HG3 LYS 70 2HG LYS 70 12.927 7.191 -5.157 577 HD2 LYS 70 1HD LYS 70 12.198 9.808 -3.737 578 HD3 LYS 70 2HD LYS 70 13.740 9.525 -4.546 579 HE2 LYS 70 1HE LYS 70 12.148 8.722 -6.544 580 HE3 LYS 70 2HE LYS 70 10.991 9.805 -5.762 581 HZ1 LYS 70 3HZ LYS 70 12.682 10.709 -7.535 582 HZ2 LYS 70 1HZ LYS 70 13.734 10.757 -6.295 583 HZ3 LYS 70 2HZ LYS 70 12.358 11.633 -6.225 584 H ASP 71 H ASP 71 13.716 5.340 -3.324 585 HA ASP 71 HA ASP 71 13.315 3.276 -5.383 586 HB2 ASP 71 1HB ASP 71 15.114 4.908 -5.611 587 HB3 ASP 71 2HB ASP 71 15.819 4.401 -4.076 588 H LEU 72 H LEU 72 12.182 1.663 -4.245 589 HA LEU 72 HA LEU 72 13.240 0.425 -1.847 590 HB2 LEU 72 1HB LEU 72 11.248 -0.818 -3.746 591 HB3 LEU 72 2HB LEU 72 11.522 -1.196 -2.045 592 HG LEU 72 HG LEU 72 10.244 1.294 -3.213 593 HD11 LEU 72 1HD1 LEU 72 9.143 -0.510 -1.039 594 HD12 LEU 72 2HD1 LEU 72 8.995 -0.950 -2.726 595 HD13 LEU 72 3HD1 LEU 72 8.301 0.594 -2.150 596 HD21 LEU 72 3HD2 LEU 72 9.977 2.175 -0.973 597 HD22 LEU 72 1HD2 LEU 72 11.690 1.981 -1.273 598 HD23 LEU 72 2HD2 LEU 72 10.827 0.790 -0.268 599 H SER 73 H SER 73 13.841 -1.874 -1.660 600 HA SER 73 HA SER 73 16.067 -2.560 -3.385 601 HB2 SER 73 1HB SER 73 14.520 -4.051 -1.232 602 HB3 SER 73 2HB SER 73 15.846 -4.806 -2.133 603 HG SER 73 HG SER 73 17.274 -3.570 -1.156 604 H PHE 74 H PHE 74 16.226 -4.256 -4.890 605 HA PHE 74 HA PHE 74 14.147 -4.736 -6.708 606 HB2 PHE 74 1HB PHE 74 16.482 -5.167 -7.220 607 HB3 PHE 74 2HB PHE 74 16.571 -6.432 -6.001 608 HD1 PHE 74 HD2 PHE 74 15.311 -5.559 -9.376 609 HD2 PHE 74 HD1 PHE 74 15.598 -8.657 -6.384 610 HE1 PHE 74 HE2 PHE 74 14.584 -7.250 -11.047 611 HE2 PHE 74 HE1 PHE 74 14.860 -10.337 -8.052 612 HZ PHE 74 HZ PHE 74 14.347 -9.637 -10.384 613 H GLY 75 H GLY 75 14.988 -6.645 -3.820 614 HA2 GLY 75 1HA GLY 75 13.148 -8.791 -4.131 615 HA3 GLY 75 2HA GLY 75 13.766 -8.196 -2.586 616 H GLU 76 H GLU 76 12.684 -5.718 -2.275 617 HA GLU 76 HA GLU 76 9.958 -6.296 -1.535 618 HB2 GLU 76 1HB GLU 76 11.368 -3.603 -1.741 619 HB3 GLU 76 2HB GLU 76 9.870 -3.937 -0.862 620 HG2 GLU 76 1HG GLU 76 11.101 -5.572 0.570 621 HG3 GLU 76 2HG GLU 76 12.605 -5.147 -0.246 622 H ARG 77 H ARG 77 11.363 -4.441 -4.212 623 HA ARG 77 HA ARG 77 9.057 -3.353 -5.382 624 HB2 ARG 77 1HB ARG 77 11.530 -3.046 -6.018 625 HB3 ARG 77 2HB ARG 77 11.377 -4.540 -6.933 626 HG2 ARG 77 1HG ARG 77 11.137 -2.797 -8.480 627 HG3 ARG 77 2HG ARG 77 9.498 -3.412 -8.267 628 HD2 ARG 77 1HD ARG 77 8.854 -1.520 -6.948 629 HD3 ARG 77 2HD ARG 77 10.544 -1.040 -6.674 630 HE ARG 77 HE ARG 77 10.150 -0.979 -9.457 631 HH11 ARG 77 1HH1 ARG 77 8.945 0.835 -6.738 632 HH12 ARG 77 2HH1 ARG 77 8.902 2.326 -7.650 633 HH21 ARG 77 1HH2 ARG 77 9.972 0.906 -10.580 634 HH22 ARG 77 2HH2 ARG 77 9.329 2.322 -9.810 635 H LYS 78 H LYS 78 10.099 -6.696 -5.484 636 HA LYS 78 HA LYS 78 8.530 -7.720 -7.620 637 HB2 LYS 78 1HB LYS 78 9.303 -9.129 -5.048 638 HB3 LYS 78 2HB LYS 78 8.707 -9.891 -6.507 639 HG2 LYS 78 1HG LYS 78 10.899 -8.180 -7.283 640 HG3 LYS 78 2HG LYS 78 11.430 -9.063 -5.864 641 HD2 LYS 78 1HD LYS 78 10.102 -10.604 -8.103 642 HD3 LYS 78 2HD LYS 78 11.705 -9.947 -8.369 643 HE2 LYS 78 1HE LYS 78 11.765 -12.264 -7.616 644 HE3 LYS 78 2HE LYS 78 12.678 -11.171 -6.573 645 HZ1 LYS 78 3HZ LYS 78 9.961 -12.209 -5.952 646 HZ2 LYS 78 1HZ LYS 78 10.873 -11.264 -4.965 647 HZ3 LYS 78 2HZ LYS 78 11.346 -12.783 -5.313 648 H MET 79 H MET 79 7.603 -7.684 -4.157 649 HA MET 79 HA MET 79 4.816 -8.434 -4.789 650 HB2 MET 79 1HB MET 79 5.997 -9.224 -2.748 651 HB3 MET 79 2HB MET 79 6.027 -7.562 -2.154 652 HG2 MET 79 1HG MET 79 3.319 -8.057 -2.820 653 HG3 MET 79 2HG MET 79 3.889 -9.582 -2.169 654 HE1 MET 79 3HE MET 79 4.905 -9.849 0.287 655 HE2 MET 79 1HE MET 79 6.096 -8.555 -0.019 656 HE3 MET 79 2HE MET 79 5.096 -8.500 1.435 657 H LEU 80 H LEU 80 6.569 -5.477 -3.783 658 HA LEU 80 HA LEU 80 4.383 -3.745 -3.398 659 HB2 LEU 80 1HB LEU 80 6.769 -3.189 -2.902 660 HB3 LEU 80 2HB LEU 80 7.082 -3.154 -4.634 661 HG LEU 80 HG LEU 80 4.990 -1.375 -4.474 662 HD11 LEU 80 1HD1 LEU 80 5.064 -1.708 -1.951 663 HD12 LEU 80 2HD1 LEU 80 4.952 -0.077 -2.616 664 HD13 LEU 80 3HD1 LEU 80 6.498 -0.684 -1.989 665 HD21 LEU 80 3HD2 LEU 80 7.942 -1.039 -4.524 666 HD22 LEU 80 1HD2 LEU 80 6.919 0.392 -4.312 667 HD23 LEU 80 2HD2 LEU 80 6.726 -0.681 -5.733 668 H ASP 81 H ASP 81 6.086 -4.461 -6.514 669 HA ASP 81 HA ASP 81 4.713 -2.794 -8.271 670 HB2 ASP 81 1HB ASP 81 6.599 -4.131 -8.942 671 HB3 ASP 81 2HB ASP 81 5.746 -5.634 -8.578 672 H THR 82 H THR 82 3.588 -5.919 -6.972 673 HA THR 82 HA THR 82 1.137 -5.970 -8.494 674 HB THR 82 HB THR 82 1.385 -7.454 -5.891 675 HG1 THR 82 HG1 THR 82 2.878 -8.785 -6.588 676 HG21 THR 82 3HG2 THR 82 0.437 -9.270 -7.333 677 HG22 THR 82 1HG2 THR 82 0.549 -8.203 -8.742 678 HG23 THR 82 2HG2 THR 82 -0.556 -7.797 -7.411 679 H ALA 83 H ALA 83 1.852 -5.254 -5.026 680 HA ALA 83 HA ALA 83 -0.779 -4.420 -4.321 681 HB1 ALA 83 3HB ALA 83 0.248 -3.461 -2.351 682 HB2 ALA 83 1HB ALA 83 0.942 -5.048 -2.699 683 HB3 ALA 83 2HB ALA 83 1.868 -3.582 -3.095 684 H ARG 84 H ARG 84 1.769 -2.590 -5.922 685 HA ARG 84 HA ARG 84 0.677 0.067 -5.772 686 HB2 ARG 84 1HB ARG 84 2.524 -1.368 -7.715 687 HB3 ARG 84 2HB ARG 84 2.005 0.278 -8.050 688 HG2 ARG 84 1HG ARG 84 3.207 -0.493 -5.394 689 HG3 ARG 84 2HG ARG 84 4.229 -0.118 -6.772 690 HD2 ARG 84 1HD ARG 84 1.998 1.807 -6.022 691 HD3 ARG 84 2HD ARG 84 3.447 1.784 -5.049 692 HE ARG 84 HE ARG 84 3.167 2.929 -7.678 693 HH11 ARG 84 1HH1 ARG 84 5.511 1.333 -5.701 694 HH12 ARG 84 2HH1 ARG 84 6.752 2.460 -6.120 695 HH21 ARG 84 1HH2 ARG 84 4.912 4.060 -8.516 696 HH22 ARG 84 2HH2 ARG 84 6.508 3.714 -7.934 697 H SER 85 H SER 85 0.418 -2.344 -8.369 698 HA SER 85 HA SER 85 -1.416 -0.906 -10.007 699 HB2 SER 85 1HB SER 85 0.038 -3.001 -10.520 700 HB3 SER 85 2HB SER 85 -1.320 -3.929 -9.863 701 HG SER 85 HG SER 85 -1.263 -2.171 -12.112 702 H LEU 86 H LEU 86 -1.975 -2.792 -7.130 703 HA LEU 86 HA LEU 86 -4.910 -2.768 -7.460 704 HB2 LEU 86 1HB LEU 86 -3.092 -3.788 -5.246 705 HB3 LEU 86 2HB LEU 86 -4.833 -4.031 -5.276 706 HG LEU 86 HG LEU 86 -3.184 -5.046 -7.616 707 HD11 LEU 86 1HD1 LEU 86 -2.090 -5.815 -5.471 708 HD12 LEU 86 2HD1 LEU 86 -2.673 -7.078 -6.559 709 HD13 LEU 86 3HD1 LEU 86 -3.602 -6.672 -5.105 710 HD21 LEU 86 3HD2 LEU 86 -4.908 -6.872 -7.503 711 HD22 LEU 86 1HD2 LEU 86 -5.580 -5.264 -7.815 712 HD23 LEU 86 2HD2 LEU 86 -5.712 -5.977 -6.199 713 H LEU 87 H LEU 87 -2.471 -1.137 -5.437 714 HA LEU 87 HA LEU 87 -4.046 0.255 -3.617 715 HB2 LEU 87 1HB LEU 87 -1.598 0.335 -3.583 716 HB3 LEU 87 2HB LEU 87 -1.570 1.153 -5.149 717 HG LEU 87 HG LEU 87 -2.947 3.042 -3.999 718 HD11 LEU 87 1HD1 LEU 87 -2.417 3.294 -1.584 719 HD12 LEU 87 2HD1 LEU 87 -1.730 1.663 -1.596 720 HD13 LEU 87 3HD1 LEU 87 -3.458 1.886 -1.896 721 HD21 LEU 87 3HD2 LEU 87 -0.130 2.811 -3.107 722 HD22 LEU 87 1HD2 LEU 87 -1.064 4.232 -3.565 723 HD23 LEU 87 2HD2 LEU 87 -0.551 3.093 -4.809 724 H ILE 88 H ILE 88 -3.029 1.464 -6.852 725 HA ILE 88 HA ILE 88 -4.893 3.654 -6.609 726 HB ILE 88 HB ILE 88 -4.237 4.491 -8.604 727 HG12 ILE 88 1HG1 ILE 88 -4.704 2.564 -10.086 728 HG13 ILE 88 2HG1 ILE 88 -3.164 3.345 -10.447 729 HG21 ILE 88 1HG2 ILE 88 -1.903 4.579 -8.607 730 HG22 ILE 88 2HG2 ILE 88 -2.398 4.352 -6.927 731 HG23 ILE 88 3HG2 ILE 88 -1.729 2.991 -7.806 732 HD11 ILE 88 3HD1 ILE 88 -3.148 0.858 -10.580 733 HD12 ILE 88 1HD1 ILE 88 -1.937 1.520 -9.472 734 HD13 ILE 88 2HD1 ILE 88 -3.440 0.801 -8.833 735 H LYS 89 H LYS 89 -5.331 0.427 -7.687 736 HA LYS 89 HA LYS 89 -7.520 0.781 -9.531 737 HB2 LYS 89 1HB LYS 89 -6.291 -1.265 -9.529 738 HB3 LYS 89 2HB LYS 89 -6.709 -1.619 -7.851 739 HG2 LYS 89 1HG LYS 89 -8.800 -2.369 -8.324 740 HG3 LYS 89 2HG LYS 89 -9.020 -1.266 -9.686 741 HD2 LYS 89 1HD LYS 89 -8.964 -3.485 -10.545 742 HD3 LYS 89 2HD LYS 89 -7.502 -2.639 -11.075 743 HE2 LYS 89 1HE LYS 89 -6.182 -3.781 -9.342 744 HE3 LYS 89 2HE LYS 89 -7.640 -4.561 -8.706 745 HZ1 LYS 89 3HZ LYS 89 -6.587 -4.978 -11.457 746 HZ2 LYS 89 1HZ LYS 89 -7.875 -5.740 -10.803 747 HZ3 LYS 89 2HZ LYS 89 -6.379 -6.026 -10.223 748 H GLU 90 H GLU 90 -7.616 -0.094 -6.090 749 HA GLU 90 HA GLU 90 -10.503 0.184 -5.837 750 HB2 GLU 90 1HB GLU 90 -10.038 0.080 -3.410 751 HB3 GLU 90 2HB GLU 90 -9.295 -1.207 -4.343 752 HG2 GLU 90 1HG GLU 90 -7.267 0.671 -4.319 753 HG3 GLU 90 2HG GLU 90 -8.047 1.048 -2.819 754 H LEU 91 H LEU 91 -7.777 2.376 -5.029 755 HA LEU 91 HA LEU 91 -9.456 4.523 -4.141 756 HB2 LEU 91 1HB LEU 91 -6.560 4.524 -5.088 757 HB3 LEU 91 2HB LEU 91 -7.360 5.836 -4.184 758 HG LEU 91 HG LEU 91 -6.884 3.012 -3.150 759 HD11 LEU 91 1HD1 LEU 91 -5.368 5.584 -2.721 760 HD12 LEU 91 2HD1 LEU 91 -4.765 3.959 -3.095 761 HD13 LEU 91 3HD1 LEU 91 -5.373 4.309 -1.485 762 HD21 LEU 91 3HD2 LEU 91 -7.538 5.252 -1.314 763 HD22 LEU 91 1HD2 LEU 91 -7.773 3.489 -1.216 764 HD23 LEU 91 2HD2 LEU 91 -8.865 4.461 -2.180 765 H SER 92 H SER 92 -8.589 3.588 -7.325 766 HA SER 92 HA SER 92 -8.758 5.738 -8.943 767 HB2 SER 92 1HB SER 92 -8.504 3.450 -9.771 768 HB3 SER 92 2HB SER 92 -10.193 3.103 -9.355 769 HG SER 92 HG SER 92 -10.075 3.562 -11.521 770 H LEU 93 H LEU 93 -11.476 4.365 -7.234 771 HA LEU 93 HA LEU 93 -13.631 5.672 -8.449 772 HB2 LEU 93 1HB LEU 93 -13.132 4.089 -6.082 773 HB3 LEU 93 2HB LEU 93 -14.128 5.444 -5.608 774 HG LEU 93 HG LEU 93 -15.569 3.679 -6.126 775 HD11 LEU 93 1HD1 LEU 93 -17.055 4.733 -7.566 776 HD12 LEU 93 2HD1 LEU 93 -15.786 5.285 -8.674 777 HD13 LEU 93 3HD1 LEU 93 -15.983 6.075 -7.096 778 HD21 LEU 93 3HD2 LEU 93 -15.615 2.456 -8.235 779 HD22 LEU 93 1HD2 LEU 93 -14.005 2.325 -7.506 780 HD23 LEU 93 2HD2 LEU 93 -14.267 3.422 -8.875 781 H ALA 94 H ALA 94 -12.300 6.698 -5.336 782 HA ALA 94 HA ALA 94 -13.390 9.371 -5.540 783 HB1 ALA 94 3HB ALA 94 -12.661 7.885 -3.442 784 HB2 ALA 94 1HB ALA 94 -11.165 8.823 -3.629 785 HB3 ALA 94 2HB ALA 94 -12.692 9.661 -3.380 786 H LYS 95 H LYS 95 -10.351 8.030 -6.602 787 HA LYS 95 HA LYS 95 -8.605 10.204 -6.665 788 HB2 LYS 95 1HB LYS 95 -7.365 8.738 -7.646 789 HB3 LYS 95 2HB LYS 95 -8.740 7.665 -7.897 790 HG2 LYS 95 1HG LYS 95 -9.155 8.788 -10.087 791 HG3 LYS 95 2HG LYS 95 -7.689 9.748 -9.818 792 HD2 LYS 95 1HD LYS 95 -6.430 8.131 -10.679 793 HD3 LYS 95 2HD LYS 95 -7.023 6.939 -9.532 794 HE2 LYS 95 1HE LYS 95 -8.888 6.361 -10.930 795 HE3 LYS 95 2HE LYS 95 -8.623 7.738 -11.987 796 HZ1 LYS 95 3HZ LYS 95 -7.795 5.647 -12.930 797 HZ2 LYS 95 1HZ LYS 95 -6.704 5.489 -11.728 798 HZ3 LYS 95 2HZ LYS 95 -6.605 6.752 -12.785 799 H ASP 96 H ASP 96 -11.202 9.518 -8.960 800 HA ASP 96 HA ASP 96 -12.095 10.669 -10.725 801 HB2 ASP 96 1HB ASP 96 -13.005 11.619 -8.570 802 HB3 ASP 96 2HB ASP 96 -11.927 12.993 -8.792 803 H CYS 97 H CYS 97 -9.303 10.481 -11.022 804 HA CYS 97 HA CYS 97 -8.549 12.581 -12.884 805 HB2 CYS 97 1HB CYS 97 -8.131 13.292 -10.306 806 HB3 CYS 97 2HB CYS 97 -6.662 12.345 -10.551 807 HG CYS 97 HG CYS 97 -6.390 15.028 -10.884 808 H SER 98 H SER 98 -5.811 12.179 -12.972 809 HA SER 98 HA SER 98 -5.460 9.584 -14.247 810 HB2 SER 98 1HB SER 98 -3.568 11.813 -13.396 811 HB3 SER 98 2HB SER 98 -2.982 10.333 -14.166 812 HG SER 98 HG SER 98 -4.022 10.834 -16.017 813 H GLU 99 H GLU 99 -3.902 7.892 -13.581 814 HA GLU 99 HA GLU 99 -4.108 6.975 -10.887 815 HB2 GLU 99 1HB GLU 99 -2.032 6.340 -13.018 816 HB3 GLU 99 2HB GLU 99 -2.119 5.532 -11.437 817 HG2 GLU 99 1HG GLU 99 -4.455 4.855 -11.918 818 HG3 GLU 99 2HG GLU 99 -4.344 5.573 -13.526 819 H ASP 100 H ASP 100 -1.779 9.164 -12.319 820 HA ASP 100 HA ASP 100 0.245 9.308 -10.409 821 HB2 ASP 100 1HB ASP 100 -1.075 11.408 -12.159 822 HB3 ASP 100 2HB ASP 100 0.153 11.866 -10.992 823 H GLU 101 H GLU 101 -3.146 10.367 -9.943 824 HA GLU 101 HA GLU 101 -2.707 12.165 -7.763 825 HB2 GLU 101 1HB GLU 101 -4.868 12.046 -8.817 826 HB3 GLU 101 2HB GLU 101 -5.046 10.331 -8.444 827 HG2 GLU 101 1HG GLU 101 -5.495 10.642 -6.246 828 HG3 GLU 101 2HG GLU 101 -4.501 12.088 -6.085 829 H ILE 102 H ILE 102 -3.419 8.662 -7.732 830 HA ILE 102 HA ILE 102 -2.858 8.443 -4.865 831 HB ILE 102 HB ILE 102 -3.465 6.346 -6.914 832 HG12 ILE 102 1HG1 ILE 102 -5.516 6.933 -4.848 833 HG13 ILE 102 2HG1 ILE 102 -5.254 8.308 -5.892 834 HG21 ILE 102 1HG2 ILE 102 -2.323 5.381 -4.965 835 HG22 ILE 102 2HG2 ILE 102 -3.413 6.227 -3.863 836 HG23 ILE 102 3HG2 ILE 102 -4.026 4.942 -4.939 837 HD11 ILE 102 3HD1 ILE 102 -5.736 5.510 -6.973 838 HD12 ILE 102 1HD1 ILE 102 -6.978 6.730 -6.742 839 HD13 ILE 102 2HD1 ILE 102 -5.626 7.025 -7.877 840 H GLU 103 H GLU 103 -1.249 7.424 -7.902 841 HA GLU 103 HA GLU 103 0.877 5.930 -6.741 842 HB2 GLU 103 1HB GLU 103 0.317 7.198 -9.365 843 HB3 GLU 103 2HB GLU 103 2.027 7.098 -8.992 844 HG2 GLU 103 1HG GLU 103 2.023 4.760 -8.798 845 HG3 GLU 103 2HG GLU 103 0.281 4.669 -8.618 846 H SER 104 H SER 104 0.685 9.470 -7.536 847 HA SER 104 HA SER 104 3.322 9.960 -6.400 848 HB2 SER 104 1HB SER 104 3.227 12.039 -7.208 849 HB3 SER 104 2HB SER 104 2.067 11.311 -8.297 850 HG SER 104 HG SER 104 1.734 13.301 -6.445 851 H ASP 105 H ASP 105 -0.046 10.212 -5.183 852 HA ASP 105 HA ASP 105 0.479 11.603 -2.810 853 HB2 ASP 105 1HB ASP 105 -1.543 9.536 -3.585 854 HB3 ASP 105 2HB ASP 105 -1.304 9.760 -1.879 855 H LEU 106 H LEU 106 1.537 8.341 -3.554 856 HA LEU 106 HA LEU 106 2.091 7.416 -0.938 857 HB2 LEU 106 1HB LEU 106 3.798 7.056 -3.444 858 HB3 LEU 106 2HB LEU 106 3.887 6.088 -1.982 859 HG LEU 106 HG LEU 106 1.499 6.256 -3.859 860 HD11 LEU 106 1HD1 LEU 106 3.437 5.038 -4.801 861 HD12 LEU 106 2HD1 LEU 106 2.044 3.987 -4.515 862 HD13 LEU 106 3HD1 LEU 106 3.422 3.965 -3.388 863 HD21 LEU 106 3HD2 LEU 106 0.243 5.296 -2.284 864 HD22 LEU 106 1HD2 LEU 106 1.517 5.463 -1.114 865 HD23 LEU 106 2HD2 LEU 106 1.439 3.992 -2.052 866 H LYS 107 H LYS 107 3.872 9.760 -2.879 867 HA LYS 107 HA LYS 107 6.129 9.960 -1.099 868 HB2 LYS 107 1HB LYS 107 6.892 11.617 -2.444 869 HB3 LYS 107 2HB LYS 107 5.843 10.772 -3.569 870 HG2 LYS 107 1HG LYS 107 4.050 12.549 -2.977 871 HG3 LYS 107 2HG LYS 107 5.274 13.368 -2.052 872 HD2 LYS 107 1HD LYS 107 4.938 14.387 -4.230 873 HD3 LYS 107 2HD LYS 107 6.597 13.825 -4.035 874 HE2 LYS 107 1HE LYS 107 6.395 12.098 -5.527 875 HE3 LYS 107 2HE LYS 107 4.630 11.996 -5.367 876 HZ1 LYS 107 3HZ LYS 107 6.064 14.248 -6.692 877 HZ2 LYS 107 1HZ LYS 107 4.445 14.096 -6.589 878 HZ3 LYS 107 2HZ LYS 107 5.312 13.047 -7.495 879 H LYS 108 H LYS 108 3.004 11.448 -1.042 880 HA LYS 108 HA LYS 108 3.621 13.336 1.171 881 HB2 LYS 108 1HB LYS 108 1.186 12.693 -0.534 882 HB3 LYS 108 2HB LYS 108 1.002 13.583 0.980 883 HG2 LYS 108 1HG LYS 108 2.505 15.320 0.263 884 HG3 LYS 108 2HG LYS 108 2.940 14.438 -1.203 885 HD2 LYS 108 1HD LYS 108 0.010 14.894 -0.897 886 HD3 LYS 108 2HD LYS 108 0.936 16.385 -0.970 887 HE2 LYS 108 1HE LYS 108 1.229 14.137 -3.007 888 HE3 LYS 108 2HE LYS 108 0.080 15.464 -3.190 889 HZ1 LYS 108 3HZ LYS 108 1.893 17.035 -3.187 890 HZ2 LYS 108 1HZ LYS 108 2.209 15.914 -4.323 891 HZ3 LYS 108 2HZ LYS 108 3.009 15.882 -2.894 892 H ILE 109 H ILE 109 2.183 10.165 0.747 893 HA ILE 109 HA ILE 109 1.181 9.940 3.483 894 HB ILE 109 HB ILE 109 1.713 7.840 1.361 895 HG12 ILE 109 1HG1 ILE 109 -1.030 8.901 2.231 896 HG13 ILE 109 2HG1 ILE 109 -0.160 9.715 0.960 897 HG21 ILE 109 1HG2 ILE 109 1.606 6.927 3.698 898 HG22 ILE 109 2HG2 ILE 109 0.002 7.644 3.868 899 HG23 ILE 109 3HG2 ILE 109 0.318 6.373 2.656 900 HD11 ILE 109 3HD1 ILE 109 -0.146 7.691 -0.428 901 HD12 ILE 109 1HD1 ILE 109 -0.968 6.780 0.853 902 HD13 ILE 109 2HD1 ILE 109 -1.794 8.124 0.055 903 H PHE 110 H PHE 110 3.855 8.211 1.766 904 HA PHE 110 HA PHE 110 5.040 7.360 4.291 905 HB2 PHE 110 1HB PHE 110 6.137 6.877 1.538 906 HB3 PHE 110 2HB PHE 110 6.387 5.919 2.979 907 HD1 PHE 110 HD1 PHE 110 3.498 5.553 3.866 908 HD2 PHE 110 HD2 PHE 110 5.342 5.362 -0.019 909 HE1 PHE 110 HE1 PHE 110 1.604 4.199 2.994 910 HE2 PHE 110 HE2 PHE 110 3.525 3.924 -0.829 911 HZ PHE 110 HZ PHE 110 1.588 3.421 0.659 912 H ASN 111 H ASN 111 5.240 10.248 2.925 913 HA ASN 111 HA ASN 111 6.692 11.976 2.705 914 HB2 ASN 111 1HB ASN 111 6.442 11.468 5.206 915 HB3 ASN 111 2HB ASN 111 8.126 10.917 5.131 916 HD21 ASN 111 2HD2 ASN 111 7.081 13.163 6.672 917 HD22 ASN 111 1HD2 ASN 111 7.895 14.580 6.019 918 H LEU 112 H LEU 112 7.332 10.564 0.784 919 HA LEU 112 HA LEU 112 10.183 9.683 0.750 920 HB2 LEU 112 1HB LEU 112 8.186 9.555 -1.525 921 HB3 LEU 112 2HB LEU 112 9.696 8.686 -1.383 922 HG LEU 112 HG LEU 112 7.457 8.212 0.594 923 HD11 LEU 112 1HD1 LEU 112 7.754 7.182 -2.229 924 HD12 LEU 112 2HD1 LEU 112 6.306 7.723 -1.359 925 HD13 LEU 112 3HD1 LEU 112 7.028 6.175 -0.970 926 HD21 LEU 112 3HD2 LEU 112 8.496 6.122 1.001 927 HD22 LEU 112 1HD2 LEU 112 9.827 7.292 0.989 928 HD23 LEU 112 2HD2 LEU 112 9.519 6.268 -0.436 929 H ALA 113 H ALA 113 8.125 12.165 -0.666 930 HA ALA 113 HA ALA 113 10.412 13.755 -1.582 931 HB1 ALA 113 3HB ALA 113 8.536 12.446 -3.519 932 HB2 ALA 113 1HB ALA 113 9.146 14.076 -3.852 933 HB3 ALA 113 2HB ALA 113 10.272 12.732 -3.602
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